number_ resnum chain resname atname typenum typenam covrad vdwrad surface volume refvol packeff goodbad 1 1 L ALA N 12 N3H1s 0.700 1.640 4.403 40.850 13.872 2.945 possible 2 1 L ALA CA 4 C4H1b 0.770 1.880 4.005 16.209 13.959 1.161 possible 3 1 L ALA C 1 C3H0s 0.770 1.610 2.858 9.456 8.858 1.068 [OK] 4 1 L ALA O 16 O1H0u 0.660 1.420 2.725 20.835 16.026 1.300 [OK] 5 1 L ALA CB 10 C4H3u 0.770 1.880 5.850 78.521 36.551 2.148 possible 6 2 L LEU N 12 N3H1s 0.700 1.640 2.414 12.444 13.517 0.921 [OK] 7 2 L LEU CA 3 C4H1s 0.770 1.880 2.616 12.155 13.055 0.931 [OK] 8 2 L LEU C 1 C3H0s 0.770 1.610 2.615 8.768 8.781 0.999 [OK] 9 2 L LEU O 16 O1H0u 0.660 1.420 2.632 16.160 15.957 1.013 [OK] 10 2 L LEU CB 8 C4H2s 0.770 1.880 3.947 27.160 22.818 1.190 possible 11 2 L LEU CG 4 C4H1b 0.770 1.880 3.105 16.766 14.704 1.140 possible 12 2 L LEU CD1 10 C4H3u 0.770 1.880 4.049 44.238 37.235 1.188 possible 13 2 L LEU CD2 10 C4H3u 0.770 1.880 3.091 35.215 37.020 0.951 possible 14 3 L LEU N 12 N3H1s 0.700 1.640 2.603 13.519 13.517 1.000 [OK] 15 3 L LEU CA 3 C4H1s 0.770 1.880 2.723 12.660 13.055 0.970 [OK] 16 3 L LEU C 1 C3H0s 0.770 1.610 2.683 9.096 8.781 1.036 [OK] 17 3 L LEU O 16 O1H0u 0.660 1.420 3.333 19.979 15.957 1.252 possible 18 3 L LEU CB 8 C4H2s 0.770 1.880 3.042 24.419 22.818 1.070 possible 19 3 L LEU CG 4 C4H1b 0.770 1.880 2.658 13.183 14.704 0.897 [OK] 20 3 L LEU CD1 10 C4H3u 0.770 1.880 3.274 39.290 37.235 1.055 possible 21 3 L LEU CD2 10 C4H3u 0.770 1.880 3.292 36.795 37.020 0.994 possible 22 4 L SER N 12 N3H1s 0.700 1.640 2.785 15.133 13.808 1.096 [OK] 23 4 L SER CA 3 C4H1s 0.770 1.880 2.899 15.822 13.351 1.185 [OK] 24 4 L SER C 1 C3H0s 0.770 1.610 2.424 8.464 8.858 0.956 [OK] 25 4 L SER O 16 O1H0u 0.660 1.420 3.663 28.501 15.860 1.797 possible 26 4 L SER CB 8 C4H2s 0.770 1.880 3.025 26.370 23.599 1.117 possible 27 4 L SER OG 17 O2H1u 0.660 1.460 2.336 16.318 18.021 0.906 [OK] 28 5 L PHE N 12 N3H1s 0.700 1.640 2.460 12.726 13.524 0.941 [OK] 29 5 L PHE CA 3 C4H1s 0.770 1.880 2.942 13.742 13.371 1.028 [OK] 30 5 L PHE C 1 C3H0s 0.770 1.610 2.884 9.550 8.697 1.098 [OK] 31 5 L PHE O 16 O1H0u 0.660 1.420 2.248 15.673 15.961 0.982 [OK] 32 5 L PHE CB 8 C4H2s 0.770 1.880 2.708 21.062 23.623 0.892 [OK] 33 5 L PHE CG 2 C3H0b 0.770 1.610 2.342 8.550 9.684 0.883 [OK] 34 5 L PHE CD1 5 C3H1s 0.770 1.760 2.908 19.665 20.325 0.968 [OK] 35 5 L PHE CD2 6 C3H1b 0.770 1.760 2.661 18.372 20.948 0.877 [OK] 36 5 L PHE CE1 6 C3H1b 0.770 1.760 2.869 21.772 21.532 1.011 [OK] 37 5 L PHE CE2 6 C3H1b 0.770 1.760 3.080 21.964 21.625 1.016 possible 38 5 L PHE CZ 6 C3H1b 0.770 1.760 3.203 27.547 21.555 1.278 possible 39 6 L GLU N 12 N3H1s 0.700 1.640 3.288 16.024 13.461 1.190 possible 40 6 L GLU CA 3 C4H1s 0.770 1.880 3.039 13.851 13.284 1.043 possible 41 6 L GLU C 1 C3H0s 0.770 1.610 2.525 8.813 8.631 1.021 [OK] 42 6 L GLU O 16 O1H0u 0.660 1.420 2.434 15.579 15.765 0.988 [OK] 43 6 L GLU CB 8 C4H2s 0.770 1.880 3.019 21.387 23.214 0.921 possible 44 6 L GLU CG 8 C4H2s 0.770 1.880 2.846 22.298 23.304 0.957 [OK] 45 6 L GLU CD 2 C3H0b 0.770 1.610 2.332 9.235 9.437 0.979 [OK] 46 6 L GLU OE1 16 O1H0u 0.660 1.420 2.357 14.079 15.497 0.909 [OK] 47 6 L GLU OE2 16 O1H0u 0.660 1.420 2.441 14.674 16.213 0.905 [OK] 48 7 L ARG N 12 N3H1s 0.700 1.640 3.632 17.613 13.486 1.306 possible 49 7 L ARG CA 3 C4H1s 0.770 1.880 3.099 15.130 13.310 1.137 possible 50 7 L ARG C 1 C3H0s 0.770 1.610 2.471 7.926 8.779 0.903 [OK] 51 7 L ARG O 16 O1H0u 0.660 1.420 2.685 17.441 15.916 1.096 [OK] 52 7 L ARG CB 8 C4H2s 0.770 1.880 4.988 47.723 22.833 2.090 possible 53 7 L ARG CG 8 C4H2s 0.770 1.880 3.686 26.749 23.273 1.149 possible 54 7 L ARG CD 8 C4H2s 0.770 1.880 3.844 26.658 22.849 1.167 possible 55 7 L ARG NE 13 N3H1b 0.700 1.640 5.079 35.746 15.019 2.380 possible 56 7 L ARG CZ 2 C3H0b 0.770 1.610 3.441 11.731 9.678 1.212 possible 57 7 L ARG NH1 15 N3H2u 0.700 1.640 3.357 27.260 22.056 1.236 possible 58 7 L ARG NH2 15 N3H2u 0.700 1.640 40.093 -1.000 23.132 -1.000 bad 59 8 L LYS N 12 N3H1s 0.700 1.640 2.707 11.891 13.429 0.885 [OK] 60 8 L LYS CA 3 C4H1s 0.770 1.880 2.567 11.720 13.217 0.887 [OK] 61 8 L LYS C 1 C3H0s 0.770 1.610 2.548 8.554 8.696 0.984 [OK] 62 8 L LYS O 16 O1H0u 0.660 1.420 2.560 16.845 15.818 1.065 [OK] 63 8 L LYS CB 8 C4H2s 0.770 1.880 3.178 23.707 22.578 1.050 possible 64 8 L LYS CG 8 C4H2s 0.770 1.880 3.081 21.547 22.847 0.943 possible 65 8 L LYS CD 8 C4H2s 0.770 1.880 2.964 20.875 23.365 0.893 [OK] 66 8 L LYS CE 9 C4H2b 0.770 1.880 3.095 28.961 23.720 1.221 possible 67 8 L LYS NZ 14 N4H3u 0.700 1.640 2.881 23.256 21.413 1.086 [OK] 68 9 L TYR N 12 N3H1s 0.700 1.640 2.382 11.606 13.473 0.861 [OK] 69 9 L TYR CA 3 C4H1s 0.770 1.880 2.638 12.483 13.249 0.942 [OK] 70 9 L TYR C 1 C3H0s 0.770 1.610 2.372 8.788 8.714 1.008 [OK] 71 9 L TYR O 16 O1H0u 0.660 1.420 2.429 16.131 15.901 1.014 [OK] 72 9 L TYR CB 8 C4H2s 0.770 1.880 2.845 23.298 23.426 0.995 [OK] 73 9 L TYR CG 2 C3H0b 0.770 1.610 2.723 9.836 9.695 1.015 [OK] 74 9 L TYR CD1 5 C3H1s 0.770 1.760 3.162 21.850 20.057 1.089 possible 75 9 L TYR CD2 5 C3H1s 0.770 1.760 2.760 17.758 20.578 0.863 [OK] 76 9 L TYR CE1 5 C3H1s 0.770 1.760 2.904 19.056 20.534 0.928 [OK] 77 9 L TYR CE2 5 C3H1s 0.770 1.760 2.747 18.207 20.577 0.885 [OK] 78 9 L TYR CZ 2 C3H0b 0.770 1.610 2.752 10.632 9.888 1.075 [OK] 79 9 L TYR OH 17 O2H1u 0.660 1.460 2.633 19.960 18.541 1.077 [OK] 80 10 L ARG N 12 N3H1s 0.700 1.640 2.670 14.052 13.486 1.042 [OK] 81 10 L ARG CA 3 C4H1s 0.770 1.880 2.790 13.005 13.310 0.977 [OK] 82 10 L ARG C 1 C3H0s 0.770 1.610 2.741 10.409 8.779 1.186 [OK] 83 10 L ARG O 16 O1H0u 0.660 1.420 2.577 18.218 15.916 1.145 [OK] 84 10 L ARG CB 8 C4H2s 0.770 1.880 3.079 25.971 22.833 1.137 possible 85 10 L ARG CG 8 C4H2s 0.770 1.880 2.872 20.718 23.273 0.890 [OK] 86 10 L ARG CD 8 C4H2s 0.770 1.880 3.047 24.473 22.849 1.071 possible 87 10 L ARG NE 13 N3H1b 0.700 1.640 2.704 16.138 15.019 1.074 [OK] 88 10 L ARG CZ 2 C3H0b 0.770 1.610 2.467 8.437 9.678 0.872 [OK] 89 10 L ARG NH1 15 N3H2u 0.700 1.640 2.842 24.571 22.056 1.114 [OK] 90 10 L ARG NH2 15 N3H2u 0.700 1.640 2.920 23.353 23.132 1.010 [OK] 91 11 L VAL N 12 N3H1s 0.700 1.640 2.525 12.643 13.553 0.933 [OK] 92 11 L VAL CA 3 C4H1s 0.770 1.880 2.798 12.298 13.078 0.940 [OK] 93 11 L VAL C 1 C3H0s 0.770 1.610 2.399 8.685 8.528 1.018 [OK] 94 11 L VAL O 16 O1H0u 0.660 1.420 2.482 16.589 15.998 1.037 [OK] 95 11 L VAL CB 4 C4H1b 0.770 1.880 2.568 11.145 14.514 0.768 [OK] 96 11 L VAL CG1 10 C4H3u 0.770 1.880 3.129 38.794 36.320 1.068 possible 97 11 L VAL CG2 10 C4H3u 0.770 1.880 3.062 34.977 36.173 0.967 possible 98 12 L PRO N 11 N3H0u 0.700 1.640 2.406 7.655 8.650 0.885 [OK] 99 12 L PRO CA 4 C4H1b 0.770 1.880 2.752 13.307 13.828 0.962 [OK] 100 12 L PRO C 1 C3H0s 0.770 1.610 3.647 9.331 8.768 1.064 possible 101 12 L PRO O 16 O1H0u 0.660 1.420 4.700 20.521 15.856 1.294 possible 102 12 L PRO CB 9 C4H2b 0.770 1.880 25.570 -1.000 25.314 -1.000 bad 103 12 L PRO CG 9 C4H2b 0.770 1.880 13.459 -1.000 25.480 -1.000 bad 104 12 L PRO CD 8 C4H2s 0.770 1.880 3.060 22.031 23.390 0.942 possible 105 13 L GLY N 12 N3H1s 0.700 1.640 4.176 17.664 14.480 1.220 possible 106 13 L GLY CA 8 C4H2s 0.770 1.880 20.268 -1.000 23.470 -1.000 bad 107 13 L GLY C 2 C3H0b 0.770 1.610 2.737 11.403 9.652 1.181 [OK] 108 13 L GLY O 16 O1H0u 0.660 1.420 3.077 18.996 16.154 1.176 possible 109 14 L GLY N 12 N3H1s 0.700 1.640 7.659 48.678 14.480 3.362 possible 110 14 L GLY CA 8 C4H2s 0.770 1.880 4.360 35.040 23.470 1.493 possible 111 14 L GLY C 2 C3H0b 0.770 1.610 3.277 11.930 9.652 1.236 possible 112 14 L GLY O 16 O1H0u 0.660 1.420 2.570 16.308 16.154 1.010 [OK] 113 15 L THR N 12 N3H1s 0.700 1.640 3.250 16.774 13.544 1.239 possible 114 15 L THR CA 3 C4H1s 0.770 1.880 3.079 12.227 13.025 0.939 possible 115 15 L THR C 1 C3H0s 0.770 1.610 2.816 8.727 8.685 1.005 [OK] 116 15 L THR O 16 O1H0u 0.660 1.420 14.298 -1.000 15.795 -1.000 bad 117 15 L THR CB 4 C4H1b 0.770 1.880 2.851 15.310 14.687 1.042 [OK] 118 15 L THR OG1 17 O2H1u 0.660 1.460 6.058 39.050 17.610 2.217 possible 119 15 L THR CG2 10 C4H3u 0.770 1.880 3.199 38.477 36.265 1.061 possible 120 16 L LEU N 12 N3H1s 0.700 1.640 2.437 11.343 13.517 0.839 [OK] 121 16 L LEU CA 3 C4H1s 0.770 1.880 3.393 13.344 13.055 1.022 possible 122 16 L LEU C 1 C3H0s 0.770 1.610 3.214 9.349 8.781 1.065 possible 123 16 L LEU O 16 O1H0u 0.660 1.420 32.173 -1.000 15.957 -1.000 bad 124 16 L LEU CB 8 C4H2s 0.770 1.880 3.830 23.926 22.818 1.049 possible 125 16 L LEU CG 4 C4H1b 0.770 1.880 14.181 -1.000 14.704 -1.000 bad 126 16 L LEU CD1 10 C4H3u 0.770 1.880 15.920 -1.000 37.235 -1.000 bad 127 16 L LEU CD2 10 C4H3u 0.770 1.880 7.029 -1.000 37.020 -1.000 bad 128 17 L VAL N 12 N3H1s 0.700 1.640 3.147 15.365 13.553 1.134 possible 129 17 L VAL CA 3 C4H1s 0.770 1.880 5.455 16.903 13.078 1.292 possible 130 17 L VAL C 1 C3H0s 0.770 1.610 2.928 8.824 8.528 1.035 [OK] 131 17 L VAL O 16 O1H0u 0.660 1.420 2.692 18.050 15.998 1.128 [OK] 132 17 L VAL CB 4 C4H1b 0.770 1.880 2.921 13.797 14.514 0.951 [OK] 133 17 L VAL CG1 10 C4H3u 0.770 1.880 23.518 -1.000 36.320 -1.000 bad 134 17 L VAL CG2 10 C4H3u 0.770 1.880 31.703 -1.000 36.173 -1.000 bad 135 18 L GLY N 12 N3H1s 0.700 1.640 11.235 -1.000 14.480 -1.000 bad 136 18 L GLY CA 8 C4H2s 0.770 1.880 23.370 -1.000 23.470 -1.000 bad 137 18 L GLY C 2 C3H0b 0.770 1.610 1.666 -1.000 9.652 -1.000 bad 138 18 L GLY O 16 O1H0u 0.660 1.420 5.739 -1.000 16.154 -1.000 bad 139 19 L GLY N 12 N3H1s 0.700 1.640 9.457 -1.000 14.480 -1.000 bad 140 19 L GLY CA 8 C4H2s 0.770 1.880 35.340 -1.000 23.470 -1.000 bad 141 19 L GLY C 2 C3H0b 0.770 1.610 4.429 12.581 9.652 1.303 possible 142 19 L GLY O 16 O1H0u 0.660 1.420 3.139 17.393 16.154 1.077 possible 143 20 L ASN N 12 N3H1s 0.700 1.640 5.571 23.131 13.525 1.710 possible 144 20 L ASN CA 3 C4H1s 0.770 1.880 3.947 15.824 13.052 1.212 possible 145 20 L ASN C 1 C3H0s 0.770 1.610 2.297 8.575 8.853 0.969 [OK] 146 20 L ASN O 16 O1H0u 0.660 1.420 3.801 28.620 15.857 1.805 possible 147 20 L ASN CB 8 C4H2s 0.770 1.880 33.164 -1.000 22.756 -1.000 bad 148 20 L ASN CG 2 C3H0b 0.770 1.610 3.546 -1.000 9.537 -1.000 bad 149 20 L ASN OD1 16 O1H0u 0.660 1.420 32.908 -1.000 16.247 -1.000 bad 150 20 L ASN ND2 15 N3H2u 0.700 1.640 46.041 -1.000 22.525 -1.000 bad 151 21 L LEU N 12 N3H1s 0.700 1.640 3.219 15.004 13.517 1.110 possible 152 21 L LEU CA 3 C4H1s 0.770 1.880 4.001 17.869 13.055 1.369 possible 153 21 L LEU C 1 C3H0s 0.770 1.610 2.295 7.859 8.781 0.895 [OK] 154 21 L LEU O 16 O1H0u 0.660 1.420 5.988 47.588 15.957 2.982 possible 155 21 L LEU CB 8 C4H2s 0.770 1.880 3.599 19.263 22.818 0.844 possible 156 21 L LEU CG 4 C4H1b 0.770 1.880 13.602 -1.000 14.704 -1.000 bad 157 21 L LEU CD1 10 C4H3u 0.770 1.880 42.120 -1.000 37.235 -1.000 bad 158 21 L LEU CD2 10 C4H3u 0.770 1.880 41.520 -1.000 37.020 -1.000 bad 159 22 L PHE N 12 N3H1s 0.700 1.640 2.210 10.094 13.524 0.746 [OK] 160 22 L PHE CA 3 C4H1s 0.770 1.880 2.643 11.647 13.371 0.871 [OK] 161 22 L PHE C 1 C3H0s 0.770 1.610 2.920 9.492 8.697 1.091 [OK] 162 22 L PHE O 16 O1H0u 0.660 1.420 2.729 15.975 15.961 1.001 [OK] 163 22 L PHE CB 8 C4H2s 0.770 1.880 2.936 22.722 23.623 0.962 [OK] 164 22 L PHE CG 2 C3H0b 0.770 1.610 2.557 9.130 9.684 0.943 [OK] 165 22 L PHE CD1 5 C3H1s 0.770 1.760 2.852 18.009 20.325 0.886 [OK] 166 22 L PHE CD2 6 C3H1b 0.770 1.760 4.920 30.605 20.948 1.461 possible 167 22 L PHE CE1 6 C3H1b 0.770 1.760 4.599 27.660 21.532 1.285 possible 168 22 L PHE CE2 6 C3H1b 0.770 1.760 19.825 -1.000 21.625 -1.000 bad 169 22 L PHE CZ 6 C3H1b 0.770 1.760 18.549 -1.000 21.555 -1.000 bad 170 23 L ASP N 12 N3H1s 0.700 1.640 2.704 14.463 13.654 1.059 [OK] 171 23 L ASP CA 3 C4H1s 0.770 1.880 2.975 13.587 13.254 1.025 [OK] 172 23 L ASP C 1 C3H0s 0.770 1.610 2.660 9.055 8.750 1.035 [OK] 173 23 L ASP O 16 O1H0u 0.660 1.420 3.636 22.803 15.757 1.447 possible 174 23 L ASP CB 8 C4H2s 0.770 1.880 3.408 23.268 23.022 1.011 possible 175 23 L ASP CG 2 C3H0b 0.770 1.610 2.747 9.921 9.336 1.063 [OK] 176 23 L ASP OD1 16 O1H0u 0.660 1.420 2.568 17.177 15.078 1.139 [OK] 177 23 L ASP OD2 16 O1H0u 0.660 1.420 3.457 26.219 15.582 1.683 possible 178 24 L PHE N 12 N3H1s 0.700 1.640 2.717 13.907 13.524 1.028 [OK] 179 24 L PHE CA 3 C4H1s 0.770 1.880 2.697 14.087 13.371 1.054 [OK] 180 24 L PHE C 1 C3H0s 0.770 1.610 2.424 8.764 8.697 1.008 [OK] 181 24 L PHE O 16 O1H0u 0.660 1.420 2.318 16.621 15.961 1.041 [OK] 182 24 L PHE CB 8 C4H2s 0.770 1.880 3.085 22.285 23.623 0.943 possible 183 24 L PHE CG 2 C3H0b 0.770 1.610 2.880 10.174 9.684 1.051 [OK] 184 24 L PHE CD1 5 C3H1s 0.770 1.760 4.417 27.046 20.325 1.331 possible 185 24 L PHE CD2 6 C3H1b 0.770 1.760 3.535 24.587 20.948 1.174 possible 186 24 L PHE CE1 6 C3H1b 0.770 1.760 14.522 -1.000 21.532 -1.000 bad 187 24 L PHE CE2 6 C3H1b 0.770 1.760 6.742 35.034 21.625 1.620 possible 188 24 L PHE CZ 6 C3H1b 0.770 1.760 22.090 -1.000 21.555 -1.000 bad 189 25 L TRP N 12 N3H1s 0.700 1.640 2.399 11.792 13.639 0.865 [OK] 190 25 L TRP CA 3 C4H1s 0.770 1.880 2.575 12.404 13.323 0.931 [OK] 191 25 L TRP C 1 C3H0s 0.770 1.610 2.399 9.011 8.687 1.037 [OK] 192 25 L TRP O 16 O1H0u 0.660 1.420 4.468 32.929 15.797 2.085 possible 193 25 L TRP CB 8 C4H2s 0.770 1.880 2.705 20.659 23.826 0.867 [OK] 194 25 L TRP CG 2 C3H0b 0.770 1.610 2.406 9.198 9.915 0.928 [OK] 195 25 L TRP CD1 5 C3H1s 0.770 1.760 2.639 19.591 20.597 0.951 [OK] 196 25 L TRP CD2 2 C3H0b 0.770 1.610 2.370 9.846 10.068 0.978 [OK] 197 25 L TRP NE1 13 N3H1b 0.700 1.640 2.532 16.374 16.723 0.979 [OK] 198 25 L TRP CE2 2 C3H0b 0.770 1.610 2.319 9.427 9.848 0.957 [OK] 199 25 L TRP CE3 6 C3H1b 0.770 1.760 2.731 20.597 20.383 1.010 [OK] 200 25 L TRP CZ2 6 C3H1b 0.770 1.760 2.866 18.846 20.931 0.900 [OK] 201 25 L TRP CZ3 6 C3H1b 0.770 1.760 2.918 24.409 21.429 1.139 [OK] 202 25 L TRP CH2 6 C3H1b 0.770 1.760 2.818 21.201 21.219 0.999 [OK] 203 26 L VAL N 12 N3H1s 0.700 1.640 2.484 13.433 13.553 0.991 [OK] 204 26 L VAL CA 3 C4H1s 0.770 1.880 5.529 19.049 13.078 1.457 possible 205 26 L VAL C 1 C3H0s 0.770 1.610 2.443 8.387 8.528 0.983 [OK] 206 26 L VAL O 16 O1H0u 0.660 1.420 2.773 17.479 15.998 1.093 [OK] 207 26 L VAL CB 4 C4H1b 0.770 1.880 3.077 16.471 14.514 1.135 possible 208 26 L VAL CG1 10 C4H3u 0.770 1.880 25.138 -1.000 36.320 -1.000 bad 209 26 L VAL CG2 10 C4H3u 0.770 1.880 24.997 -1.000 36.173 -1.000 bad 210 27 L GLY N 12 N3H1s 0.700 1.640 5.291 34.950 14.480 2.414 possible 211 27 L GLY CA 8 C4H2s 0.770 1.880 4.806 37.536 23.470 1.599 possible 212 27 L GLY C 2 C3H0b 0.770 1.610 2.773 10.696 9.652 1.108 [OK] 213 27 L GLY O 16 O1H0u 0.660 1.420 2.635 19.390 16.154 1.200 [OK] 214 28 L PRO N 11 N3H0u 0.700 1.640 2.742 8.902 8.650 1.029 [OK] 215 28 L PRO CA 4 C4H1b 0.770 1.880 2.947 16.042 13.828 1.160 [OK] 216 28 L PRO C 1 C3H0s 0.770 1.610 2.536 9.388 8.768 1.071 [OK] 217 28 L PRO O 16 O1H0u 0.660 1.420 2.622 16.908 15.856 1.066 [OK] 218 28 L PRO CB 9 C4H2b 0.770 1.880 2.861 23.734 25.314 0.938 [OK] 219 28 L PRO CG 9 C4H2b 0.770 1.880 3.305 25.280 25.480 0.992 possible 220 28 L PRO CD 8 C4H2s 0.770 1.880 3.164 25.948 23.390 1.109 possible 221 29 L PHE N 12 N3H1s 0.700 1.640 2.673 13.063 13.524 0.966 [OK] 222 29 L PHE CA 3 C4H1s 0.770 1.880 2.865 13.591 13.371 1.016 [OK] 223 29 L PHE C 1 C3H0s 0.770 1.610 2.538 8.128 8.697 0.935 [OK] 224 29 L PHE O 16 O1H0u 0.660 1.420 2.489 15.467 15.961 0.969 [OK] 225 29 L PHE CB 8 C4H2s 0.770 1.880 3.119 27.559 23.623 1.167 possible 226 29 L PHE CG 2 C3H0b 0.770 1.610 2.877 10.602 9.684 1.095 [OK] 227 29 L PHE CD1 5 C3H1s 0.770 1.760 2.990 23.498 20.325 1.156 [OK] 228 29 L PHE CD2 6 C3H1b 0.770 1.760 3.853 28.390 20.948 1.355 possible 229 29 L PHE CE1 6 C3H1b 0.770 1.760 2.918 20.013 21.532 0.929 [OK] 230 29 L PHE CE2 6 C3H1b 0.770 1.760 4.683 39.220 21.625 1.814 possible 231 29 L PHE CZ 6 C3H1b 0.770 1.760 3.422 22.636 21.555 1.050 possible 232 30 L TYR N 12 N3H1s 0.700 1.640 2.422 13.437 13.473 0.997 [OK] 233 30 L TYR CA 3 C4H1s 0.770 1.880 2.598 12.262 13.249 0.925 [OK] 234 30 L TYR C 1 C3H0s 0.770 1.610 2.639 8.898 8.714 1.021 [OK] 235 30 L TYR O 16 O1H0u 0.660 1.420 2.594 17.498 15.901 1.100 [OK] 236 30 L TYR CB 8 C4H2s 0.770 1.880 2.802 23.536 23.426 1.005 [OK] 237 30 L TYR CG 2 C3H0b 0.770 1.610 3.117 10.440 9.695 1.077 possible 238 30 L TYR CD1 5 C3H1s 0.770 1.760 3.268 20.651 20.057 1.030 possible 239 30 L TYR CD2 5 C3H1s 0.770 1.760 3.204 21.690 20.578 1.054 possible 240 30 L TYR CE1 5 C3H1s 0.770 1.760 3.127 21.017 20.534 1.024 possible 241 30 L TYR CE2 5 C3H1s 0.770 1.760 3.185 25.553 20.577 1.242 possible 242 30 L TYR CZ 2 C3H0b 0.770 1.610 3.095 11.252 9.888 1.138 possible 243 30 L TYR OH 17 O2H1u 0.660 1.460 3.078 23.731 18.541 1.280 possible 244 31 L VAL N 12 N3H1s 0.700 1.640 2.402 13.417 13.553 0.990 [OK] 245 31 L VAL CA 3 C4H1s 0.770 1.880 2.890 13.708 13.078 1.048 [OK] 246 31 L VAL C 1 C3H0s 0.770 1.610 2.194 7.768 8.528 0.911 [OK] 247 31 L VAL O 16 O1H0u 0.660 1.420 2.770 16.245 15.998 1.015 [OK] 248 31 L VAL CB 4 C4H1b 0.770 1.880 2.764 13.828 14.514 0.953 [OK] 249 31 L VAL CG1 10 C4H3u 0.770 1.880 5.291 44.102 36.320 1.214 possible 250 31 L VAL CG2 10 C4H3u 0.770 1.880 4.367 41.419 36.173 1.145 possible 251 32 L GLY N 12 N3H1s 0.700 1.640 2.454 13.951 14.480 0.963 [OK] 252 32 L GLY CA 8 C4H2s 0.770 1.880 3.195 20.226 23.470 0.862 possible 253 32 L GLY C 2 C3H0b 0.770 1.610 2.792 8.277 9.652 0.858 [OK] 254 32 L GLY O 16 O1H0u 0.660 1.420 2.212 12.721 16.154 0.787 [OK] 255 33 L PHE N 12 N3H1s 0.700 1.640 2.809 13.307 13.524 0.984 [OK] 256 33 L PHE CA 3 C4H1s 0.770 1.880 3.043 13.855 13.371 1.036 possible 257 33 L PHE C 1 C3H0s 0.770 1.610 2.270 7.361 8.697 0.846 [OK] 258 33 L PHE O 16 O1H0u 0.660 1.420 2.876 16.695 15.961 1.046 [OK] 259 33 L PHE CB 8 C4H2s 0.770 1.880 3.059 22.504 23.623 0.953 possible 260 33 L PHE CG 2 C3H0b 0.770 1.610 2.588 8.460 9.684 0.874 [OK] 261 33 L PHE CD1 5 C3H1s 0.770 1.760 4.246 26.467 20.325 1.302 possible 262 33 L PHE CD2 6 C3H1b 0.770 1.760 2.612 17.587 20.948 0.840 [OK] 263 33 L PHE CE1 6 C3H1b 0.770 1.760 29.169 -1.000 21.532 -1.000 bad 264 33 L PHE CE2 6 C3H1b 0.770 1.760 10.122 -1.000 21.625 -1.000 bad 265 33 L PHE CZ 6 C3H1b 0.770 1.760 28.812 -1.000 21.555 -1.000 bad 266 34 L PHE N 12 N3H1s 0.700 1.640 2.588 12.466 13.524 0.922 [OK] 267 34 L PHE CA 3 C4H1s 0.770 1.880 2.733 13.317 13.371 0.996 [OK] 268 34 L PHE C 1 C3H0s 0.770 1.610 2.301 8.811 8.697 1.013 [OK] 269 34 L PHE O 16 O1H0u 0.660 1.420 2.494 14.938 15.961 0.936 [OK] 270 34 L PHE CB 8 C4H2s 0.770 1.880 2.786 21.901 23.623 0.927 [OK] 271 34 L PHE CG 2 C3H0b 0.770 1.610 2.367 8.935 9.684 0.923 [OK] 272 34 L PHE CD1 5 C3H1s 0.770 1.760 3.615 23.982 20.325 1.180 possible 273 34 L PHE CD2 6 C3H1b 0.770 1.760 2.734 21.472 20.948 1.025 [OK] 274 34 L PHE CE1 6 C3H1b 0.770 1.760 14.770 -1.000 21.532 -1.000 bad 275 34 L PHE CE2 6 C3H1b 0.770 1.760 2.766 21.532 21.625 0.996 [OK] 276 34 L PHE CZ 6 C3H1b 0.770 1.760 7.963 44.812 21.555 2.079 possible 277 35 L GLY N 12 N3H1s 0.700 1.640 2.268 11.329 14.480 0.782 [OK] 278 35 L GLY CA 8 C4H2s 0.770 1.880 3.194 24.726 23.470 1.054 possible 279 35 L GLY C 2 C3H0b 0.770 1.610 2.448 9.503 9.652 0.985 [OK] 280 35 L GLY O 16 O1H0u 0.660 1.420 2.563 16.765 16.154 1.038 [OK] 281 36 L VAL N 12 N3H1s 0.700 1.640 2.709 11.974 13.553 0.883 [OK] 282 36 L VAL CA 3 C4H1s 0.770 1.880 4.037 16.668 13.078 1.274 possible 283 36 L VAL C 1 C3H0s 0.770 1.610 2.827 8.112 8.528 0.951 [OK] 284 36 L VAL O 16 O1H0u 0.660 1.420 3.052 16.840 15.998 1.053 possible 285 36 L VAL CB 4 C4H1b 0.770 1.880 3.354 15.196 14.514 1.047 possible 286 36 L VAL CG1 10 C4H3u 0.770 1.880 46.554 -1.000 36.320 -1.000 bad 287 36 L VAL CG2 10 C4H3u 0.770 1.880 7.343 67.395 36.173 1.863 possible 288 37 L ALA N 12 N3H1s 0.700 1.640 3.694 16.157 13.872 1.165 possible 289 37 L ALA CA 4 C4H1b 0.770 1.880 5.067 27.154 13.959 1.945 possible 290 37 L ALA C 1 C3H0s 0.770 1.610 2.432 8.390 8.858 0.947 [OK] 291 37 L ALA O 16 O1H0u 0.660 1.420 2.536 13.975 16.026 0.872 [OK] 292 37 L ALA CB 10 C4H3u 0.770 1.880 4.890 54.610 36.551 1.494 possible 293 38 L THR N 12 N3H1s 0.700 1.640 2.473 12.587 13.544 0.929 [OK] 294 38 L THR CA 3 C4H1s 0.770 1.880 2.827 15.068 13.025 1.157 [OK] 295 38 L THR C 1 C3H0s 0.770 1.610 2.517 7.964 8.685 0.917 [OK] 296 38 L THR O 16 O1H0u 0.660 1.420 2.782 17.502 15.795 1.108 [OK] 297 38 L THR CB 4 C4H1b 0.770 1.880 3.218 18.481 14.687 1.258 possible 298 38 L THR OG1 17 O2H1u 0.660 1.460 2.836 24.925 17.610 1.415 [OK] 299 38 L THR CG2 10 C4H3u 0.770 1.880 3.081 31.971 36.265 0.882 possible 300 39 L PHE N 12 N3H1s 0.700 1.640 2.415 13.056 13.524 0.965 [OK] 301 39 L PHE CA 3 C4H1s 0.770 1.880 2.910 14.036 13.371 1.050 [OK] 302 39 L PHE C 1 C3H0s 0.770 1.610 2.232 7.759 8.697 0.892 [OK] 303 39 L PHE O 16 O1H0u 0.660 1.420 2.984 16.385 15.961 1.027 [OK] 304 39 L PHE CB 8 C4H2s 0.770 1.880 3.808 26.506 23.623 1.122 possible 305 39 L PHE CG 2 C3H0b 0.770 1.610 3.632 11.792 9.684 1.218 possible 306 39 L PHE CD1 5 C3H1s 0.770 1.760 3.813 26.864 20.325 1.322 possible 307 39 L PHE CD2 6 C3H1b 0.770 1.760 6.544 57.940 20.948 2.766 possible 308 39 L PHE CE1 6 C3H1b 0.770 1.760 31.032 -1.000 21.532 -1.000 bad 309 39 L PHE CE2 6 C3H1b 0.770 1.760 29.811 -1.000 21.625 -1.000 bad 310 39 L PHE CZ 6 C3H1b 0.770 1.760 30.574 -1.000 21.555 -1.000 bad 311 40 L PHE N 12 N3H1s 0.700 1.640 2.912 12.668 13.524 0.937 [OK] 312 40 L PHE CA 3 C4H1s 0.770 1.880 4.354 19.712 13.371 1.474 possible 313 40 L PHE C 1 C3H0s 0.770 1.610 2.348 7.715 8.697 0.887 [OK] 314 40 L PHE O 16 O1H0u 0.660 1.420 3.378 17.760 15.961 1.113 possible 315 40 L PHE CB 8 C4H2s 0.770 1.880 5.736 44.207 23.623 1.871 possible 316 40 L PHE CG 2 C3H0b 0.770 1.610 6.806 17.214 9.684 1.778 possible 317 40 L PHE CD1 5 C3H1s 0.770 1.760 24.436 -1.000 20.325 -1.000 bad 318 40 L PHE CD2 6 C3H1b 0.770 1.760 7.485 35.599 20.948 1.699 possible 319 40 L PHE CE1 6 C3H1b 0.770 1.760 27.773 -1.000 21.532 -1.000 bad 320 40 L PHE CE2 6 C3H1b 0.770 1.760 8.489 -1.000 21.625 -1.000 bad 321 40 L PHE CZ 6 C3H1b 0.770 1.760 16.161 -1.000 21.555 -1.000 bad 322 41 L PHE N 12 N3H1s 0.700 1.640 2.425 12.135 13.524 0.897 [OK] 323 41 L PHE CA 3 C4H1s 0.770 1.880 2.992 15.033 13.371 1.124 [OK] 324 41 L PHE C 1 C3H0s 0.770 1.610 2.540 8.191 8.697 0.942 [OK] 325 41 L PHE O 16 O1H0u 0.660 1.420 2.417 18.284 15.961 1.146 [OK] 326 41 L PHE CB 8 C4H2s 0.770 1.880 2.811 22.232 23.623 0.941 [OK] 327 41 L PHE CG 2 C3H0b 0.770 1.610 2.200 8.738 9.684 0.902 [OK] 328 41 L PHE CD1 5 C3H1s 0.770 1.760 2.898 21.900 20.325 1.078 [OK] 329 41 L PHE CD2 6 C3H1b 0.770 1.760 2.702 19.033 20.948 0.909 [OK] 330 41 L PHE CE1 6 C3H1b 0.770 1.760 3.392 26.343 21.532 1.223 possible 331 41 L PHE CE2 6 C3H1b 0.770 1.760 5.306 39.439 21.625 1.824 possible 332 41 L PHE CZ 6 C3H1b 0.770 1.760 6.365 65.055 21.555 3.018 possible 333 42 L ALA N 12 N3H1s 0.700 1.640 2.611 13.046 13.872 0.940 [OK] 334 42 L ALA CA 4 C4H1b 0.770 1.880 2.803 14.291 13.959 1.024 [OK] 335 42 L ALA C 1 C3H0s 0.770 1.610 3.730 9.412 8.858 1.063 possible 336 42 L ALA O 16 O1H0u 0.660 1.420 3.323 17.128 16.026 1.069 possible 337 42 L ALA CB 10 C4H3u 0.770 1.880 4.304 52.831 36.551 1.445 possible 338 43 L ALA N 12 N3H1s 0.700 1.640 3.803 14.155 13.872 1.020 possible 339 43 L ALA CA 4 C4H1b 0.770 1.880 5.768 32.189 13.959 2.306 possible 340 43 L ALA C 1 C3H0s 0.770 1.610 2.808 9.166 8.858 1.035 [OK] 341 43 L ALA O 16 O1H0u 0.660 1.420 3.923 17.467 16.026 1.090 possible 342 43 L ALA CB 10 C4H3u 0.770 1.880 7.480 107.012 36.551 2.928 possible 343 44 L LEU N 12 N3H1s 0.700 1.640 4.310 17.280 13.517 1.278 possible 344 44 L LEU CA 3 C4H1s 0.770 1.880 4.029 15.110 13.055 1.157 possible 345 44 L LEU C 1 C3H0s 0.770 1.610 2.551 8.252 8.781 0.940 [OK] 346 44 L LEU O 16 O1H0u 0.660 1.420 2.319 13.633 15.957 0.854 [OK] 347 44 L LEU CB 8 C4H2s 0.770 1.880 3.542 23.054 22.818 1.010 possible 348 44 L LEU CG 4 C4H1b 0.770 1.880 6.218 34.308 14.704 2.333 possible 349 44 L LEU CD1 10 C4H3u 0.770 1.880 4.457 44.647 37.235 1.199 possible 350 44 L LEU CD2 10 C4H3u 0.770 1.880 6.141 48.793 37.020 1.318 possible 351 45 L GLY N 12 N3H1s 0.700 1.640 2.556 14.858 14.480 1.026 [OK] 352 45 L GLY CA 8 C4H2s 0.770 1.880 3.086 28.509 23.470 1.215 possible 353 45 L GLY C 2 C3H0b 0.770 1.610 2.782 9.661 9.652 1.001 [OK] 354 45 L GLY O 16 O1H0u 0.660 1.420 2.644 16.468 16.154 1.019 [OK] 355 46 L ILE N 12 N3H1s 0.700 1.640 2.637 13.677 13.493 1.014 [OK] 356 46 L ILE CA 3 C4H1s 0.770 1.880 3.415 14.599 12.946 1.128 possible 357 46 L ILE C 1 C3H0s 0.770 1.610 2.886 8.177 8.445 0.968 [OK] 358 46 L ILE O 16 O1H0u 0.660 1.420 3.971 21.130 15.930 1.326 possible 359 46 L ILE CB 4 C4H1b 0.770 1.880 3.503 14.316 14.146 1.012 possible 360 46 L ILE CG1 9 C4H2b 0.770 1.880 3.936 30.148 24.071 1.252 possible 361 46 L ILE CG2 10 C4H3u 0.770 1.880 49.579 -1.000 35.763 -1.000 bad 362 46 L ILE CD1 10 C4H3u 0.770 1.880 29.355 -1.000 38.219 -1.000 bad 363 47 L ILE N 12 N3H1s 0.700 1.640 3.049 13.467 13.493 0.998 possible 364 47 L ILE CA 3 C4H1s 0.770 1.880 4.216 18.469 12.946 1.427 possible 365 47 L ILE C 1 C3H0s 0.770 1.610 2.515 7.494 8.445 0.887 [OK] 366 47 L ILE O 16 O1H0u 0.660 1.420 4.101 17.769 15.930 1.115 possible 367 47 L ILE CB 4 C4H1b 0.770 1.880 2.749 12.198 14.146 0.862 [OK] 368 47 L ILE CG1 9 C4H2b 0.770 1.880 24.186 -1.000 24.071 -1.000 bad 369 47 L ILE CG2 10 C4H3u 0.770 1.880 28.372 -1.000 35.763 -1.000 bad 370 47 L ILE CD1 10 C4H3u 0.770 1.880 48.536 -1.000 38.219 -1.000 bad 371 48 L LEU N 12 N3H1s 0.700 1.640 2.402 12.003 13.517 0.888 [OK] 372 48 L LEU CA 3 C4H1s 0.770 1.880 2.918 13.002 13.055 0.996 [OK] 373 48 L LEU C 1 C3H0s 0.770 1.610 2.379 8.157 8.781 0.929 [OK] 374 48 L LEU O 16 O1H0u 0.660 1.420 2.469 15.982 15.957 1.002 [OK] 375 48 L LEU CB 8 C4H2s 0.770 1.880 2.916 22.012 22.818 0.965 [OK] 376 48 L LEU CG 4 C4H1b 0.770 1.880 2.764 13.369 14.704 0.909 [OK] 377 48 L LEU CD1 10 C4H3u 0.770 1.880 2.984 36.988 37.235 0.993 [OK] 378 48 L LEU CD2 10 C4H3u 0.770 1.880 3.888 36.276 37.020 0.980 possible 379 49 L ILE N 12 N3H1s 0.700 1.640 2.241 12.060 13.493 0.894 [OK] 380 49 L ILE CA 3 C4H1s 0.770 1.880 2.830 13.960 12.946 1.078 [OK] 381 49 L ILE C 1 C3H0s 0.770 1.610 2.743 7.937 8.445 0.940 [OK] 382 49 L ILE O 16 O1H0u 0.660 1.420 2.945 16.842 15.930 1.057 [OK] 383 49 L ILE CB 4 C4H1b 0.770 1.880 3.402 15.159 14.146 1.072 possible 384 49 L ILE CG1 9 C4H2b 0.770 1.880 3.225 22.434 24.071 0.932 possible 385 49 L ILE CG2 10 C4H3u 0.770 1.880 5.032 55.837 35.763 1.561 possible 386 49 L ILE CD1 10 C4H3u 0.770 1.880 3.485 46.456 38.219 1.216 possible 387 50 L ALA N 12 N3H1s 0.700 1.640 3.888 14.832 13.872 1.069 possible 388 50 L ALA CA 4 C4H1b 0.770 1.880 4.629 18.340 13.959 1.314 possible 389 50 L ALA C 1 C3H0s 0.770 1.610 3.398 9.233 8.858 1.042 possible 390 50 L ALA O 16 O1H0u 0.660 1.420 2.704 13.454 16.026 0.840 [OK] 391 50 L ALA CB 10 C4H3u 0.770 1.880 33.784 -1.000 36.551 -1.000 bad 392 51 L TRP N 12 N3H1s 0.700 1.640 5.618 18.150 13.639 1.331 possible 393 51 L TRP CA 3 C4H1s 0.770 1.880 6.266 20.347 13.323 1.527 possible 394 51 L TRP C 1 C3H0s 0.770 1.610 2.194 8.105 8.687 0.933 [OK] 395 51 L TRP O 16 O1H0u 0.660 1.420 2.192 13.071 15.797 0.827 [OK] 396 51 L TRP CB 8 C4H2s 0.770 1.880 6.827 34.353 23.826 1.442 possible 397 51 L TRP CG 2 C3H0b 0.770 1.610 7.083 19.402 9.915 1.957 possible 398 51 L TRP CD1 5 C3H1s 0.770 1.760 6.135 -1.000 20.597 -1.000 bad 399 51 L TRP CD2 2 C3H0b 0.770 1.610 7.165 19.440 10.068 1.931 possible 400 51 L TRP NE1 13 N3H1b 0.700 1.640 15.160 -1.000 16.723 -1.000 bad 401 51 L TRP CE2 2 C3H0b 0.770 1.610 1.624 -1.000 9.848 -1.000 bad 402 51 L TRP CE3 6 C3H1b 0.770 1.760 6.845 29.954 20.383 1.470 possible 403 51 L TRP CZ2 6 C3H1b 0.770 1.760 26.916 -1.000 20.931 -1.000 bad 404 51 L TRP CZ3 6 C3H1b 0.770 1.760 7.949 44.658 21.429 2.084 possible 405 51 L TRP CH2 6 C3H1b 0.770 1.760 19.590 -1.000 21.219 -1.000 bad 406 52 L SER N 12 N3H1s 0.700 1.640 2.181 11.605 13.808 0.840 [OK] 407 52 L SER CA 3 C4H1s 0.770 1.880 3.749 14.808 13.351 1.109 possible 408 52 L SER C 1 C3H0s 0.770 1.610 2.973 9.173 8.858 1.036 [OK] 409 52 L SER O 16 O1H0u 0.660 1.420 4.385 20.444 15.860 1.289 possible 410 52 L SER CB 8 C4H2s 0.770 1.880 4.763 31.336 23.599 1.328 possible 411 52 L SER OG 17 O2H1u 0.660 1.460 4.416 33.553 18.021 1.862 possible 412 53 L ALA N 12 N3H1s 0.700 1.640 2.685 12.384 13.872 0.893 [OK] 413 53 L ALA CA 4 C4H1b 0.770 1.880 3.286 16.717 13.959 1.198 possible 414 53 L ALA C 1 C3H0s 0.770 1.610 2.682 9.064 8.858 1.023 [OK] 415 53 L ALA O 16 O1H0u 0.660 1.420 3.221 18.950 16.026 1.182 possible 416 53 L ALA CB 10 C4H3u 0.770 1.880 3.481 33.280 36.551 0.910 possible 417 54 L VAL N 12 N3H1s 0.700 1.640 2.444 11.798 13.553 0.870 [OK] 418 54 L VAL CA 3 C4H1s 0.770 1.880 4.721 18.867 13.078 1.443 possible 419 54 L VAL C 1 C3H0s 0.770 1.610 3.621 9.354 8.528 1.097 possible 420 54 L VAL O 16 O1H0u 0.660 1.420 14.330 -1.000 15.998 -1.000 bad 421 54 L VAL CB 4 C4H1b 0.770 1.880 13.522 -1.000 14.514 -1.000 bad 422 54 L VAL CG1 10 C4H3u 0.770 1.880 24.382 -1.000 36.320 -1.000 bad 423 54 L VAL CG2 10 C4H3u 0.770 1.880 16.149 -1.000 36.173 -1.000 bad 424 55 L LEU N 12 N3H1s 0.700 1.640 3.043 12.133 13.517 0.898 possible 425 55 L LEU CA 3 C4H1s 0.770 1.880 5.934 20.547 13.055 1.574 possible 426 55 L LEU C 1 C3H0s 0.770 1.610 3.824 9.295 8.781 1.058 possible 427 55 L LEU O 16 O1H0u 0.660 1.420 34.656 -1.000 15.957 -1.000 bad 428 55 L LEU CB 8 C4H2s 0.770 1.880 4.748 39.499 22.818 1.731 possible 429 55 L LEU CG 4 C4H1b 0.770 1.880 2.498 12.621 14.704 0.858 [OK] 430 55 L LEU CD1 10 C4H3u 0.770 1.880 4.420 49.397 37.235 1.327 possible 431 55 L LEU CD2 10 C4H3u 0.770 1.880 43.858 -1.000 37.020 -1.000 bad 432 56 L GLN N 12 N3H1s 0.700 1.640 4.000 13.736 13.449 1.021 possible 433 56 L GLN CA 3 C4H1s 0.770 1.880 5.633 23.533 13.231 1.779 possible 434 56 L GLN C 1 C3H0s 0.770 1.610 3.897 10.709 8.744 1.225 possible 435 56 L GLN O 16 O1H0u 0.660 1.420 25.202 -1.000 15.767 -1.000 bad 436 56 L GLN CB 8 C4H2s 0.770 1.880 5.456 38.067 23.059 1.651 possible 437 56 L GLN CG 8 C4H2s 0.770 1.880 20.070 -1.000 23.218 -1.000 bad 438 56 L GLN CD 2 C3H0b 0.770 1.610 3.869 13.716 9.618 1.426 possible 439 56 L GLN OE1 16 O1H0u 0.660 1.420 3.503 24.431 16.571 1.474 possible 440 56 L GLN NE2 15 N3H2u 0.700 1.640 7.051 54.472 23.255 2.342 possible 441 57 L GLY N 12 N3H1s 0.700 1.640 3.654 13.187 14.480 0.911 possible 442 57 L GLY CA 8 C4H2s 0.770 1.880 30.577 -1.000 23.470 -1.000 bad 443 57 L GLY C 2 C3H0b 0.770 1.610 4.237 13.645 9.652 1.414 possible 444 57 L GLY O 16 O1H0u 0.660 1.420 33.858 -1.000 16.154 -1.000 bad 445 58 L THR N 12 N3H1s 0.700 1.640 3.233 14.980 13.544 1.106 possible 446 58 L THR CA 3 C4H1s 0.770 1.880 4.485 16.617 13.025 1.276 possible 447 58 L THR C 1 C3H0s 0.770 1.610 3.211 10.702 8.685 1.232 possible 448 58 L THR O 16 O1H0u 0.660 1.420 2.918 18.038 15.795 1.142 [OK] 449 58 L THR CB 4 C4H1b 0.770 1.880 2.649 13.918 14.687 0.948 [OK] 450 58 L THR OG1 17 O2H1u 0.660 1.460 5.853 36.031 17.610 2.046 possible 451 58 L THR CG2 10 C4H3u 0.770 1.880 23.567 -1.000 36.265 -1.000 bad 452 59 L TRP N 12 N3H1s 0.700 1.640 4.379 -1.000 13.639 -1.000 bad 453 59 L TRP CA 3 C4H1s 0.770 1.880 2.568 12.542 13.323 0.941 [OK] 454 59 L TRP C 1 C3H0s 0.770 1.610 4.857 10.937 8.687 1.259 possible 455 59 L TRP O 16 O1H0u 0.660 1.420 7.366 49.515 15.797 3.134 possible 456 59 L TRP CB 8 C4H2s 0.770 1.880 28.633 -1.000 23.826 -1.000 bad 457 59 L TRP CG 2 C3H0b 0.770 1.610 1.021 -1.000 9.915 -1.000 bad 458 59 L TRP CD1 5 C3H1s 0.770 1.760 31.287 -1.000 20.597 -1.000 bad 459 59 L TRP CD2 2 C3H0b 0.770 1.610 1.810 -1.000 10.068 -1.000 bad 460 59 L TRP NE1 13 N3H1b 0.700 1.640 27.411 -1.000 16.723 -1.000 bad 461 59 L TRP CE2 2 C3H0b 0.770 1.610 1.287 -1.000 9.848 -1.000 bad 462 59 L TRP CE3 6 C3H1b 0.770 1.760 13.113 -1.000 20.383 -1.000 bad 463 59 L TRP CZ2 6 C3H1b 0.770 1.760 20.081 -1.000 20.931 -1.000 bad 464 59 L TRP CZ3 6 C3H1b 0.770 1.760 13.804 -1.000 21.429 -1.000 bad 465 59 L TRP CH2 6 C3H1b 0.770 1.760 13.673 -1.000 21.219 -1.000 bad 466 60 L ASN N 12 N3H1s 0.700 1.640 6.465 28.188 13.525 2.084 possible 467 60 L ASN CA 3 C4H1s 0.770 1.880 6.057 19.366 13.052 1.484 possible 468 60 L ASN C 1 C3H0s 0.770 1.610 2.268 8.271 8.853 0.934 [OK] 469 60 L ASN O 16 O1H0u 0.660 1.420 2.165 13.801 15.857 0.870 [OK] 470 60 L ASN CB 8 C4H2s 0.770 1.880 17.167 -1.000 22.756 -1.000 bad 471 60 L ASN CG 2 C3H0b 0.770 1.610 2.427 -1.000 9.537 -1.000 bad 472 60 L ASN OD1 16 O1H0u 0.660 1.420 6.807 -1.000 16.247 -1.000 bad 473 60 L ASN ND2 15 N3H2u 0.700 1.640 26.870 -1.000 22.525 -1.000 bad 474 61 L PRO N 11 N3H0u 0.700 1.640 2.385 7.895 8.650 0.913 [OK] 475 61 L PRO CA 4 C4H1b 0.770 1.880 3.141 16.548 13.828 1.197 possible 476 61 L PRO C 1 C3H0s 0.770 1.610 2.661 8.561 8.768 0.976 [OK] 477 61 L PRO O 16 O1H0u 0.660 1.420 2.587 21.560 15.856 1.360 [OK] 478 61 L PRO CB 9 C4H2b 0.770 1.880 3.794 28.756 25.314 1.136 possible 479 61 L PRO CG 9 C4H2b 0.770 1.880 21.511 -1.000 25.480 -1.000 bad 480 61 L PRO CD 8 C4H2s 0.770 1.880 7.262 -1.000 23.390 -1.000 bad 481 62 L GLN N 12 N3H1s 0.700 1.640 2.990 14.680 13.449 1.092 [OK] 482 62 L GLN CA 3 C4H1s 0.770 1.880 3.060 15.447 13.231 1.168 possible 483 62 L GLN C 1 C3H0s 0.770 1.610 2.533 8.576 8.744 0.981 [OK] 484 62 L GLN O 16 O1H0u 0.660 1.420 4.072 27.846 15.767 1.766 possible 485 62 L GLN CB 8 C4H2s 0.770 1.880 4.340 30.607 23.059 1.327 possible 486 62 L GLN CG 8 C4H2s 0.770 1.880 4.861 30.521 23.218 1.315 possible 487 62 L GLN CD 2 C3H0b 0.770 1.610 4.325 12.929 9.618 1.344 possible 488 62 L GLN OE1 16 O1H0u 0.660 1.420 5.393 91.619 16.571 5.529 possible 489 62 L GLN NE2 15 N3H2u 0.700 1.640 5.202 58.332 23.255 2.508 possible 490 63 L LEU N 12 N3H1s 0.700 1.640 2.344 12.584 13.517 0.931 [OK] 491 63 L LEU CA 3 C4H1s 0.770 1.880 3.467 12.280 13.055 0.941 possible 492 63 L LEU C 1 C3H0s 0.770 1.610 2.466 9.149 8.781 1.042 [OK] 493 63 L LEU O 16 O1H0u 0.660 1.420 3.916 27.263 15.957 1.709 possible 494 63 L LEU CB 8 C4H2s 0.770 1.880 3.778 25.085 22.818 1.099 possible 495 63 L LEU CG 4 C4H1b 0.770 1.880 14.936 -1.000 14.704 -1.000 bad 496 63 L LEU CD1 10 C4H3u 0.770 1.880 44.518 -1.000 37.235 -1.000 bad 497 63 L LEU CD2 10 C4H3u 0.770 1.880 27.730 -1.000 37.020 -1.000 bad 498 64 L ILE N 12 N3H1s 0.700 1.640 2.533 14.253 13.493 1.056 [OK] 499 64 L ILE CA 3 C4H1s 0.770 1.880 2.960 13.244 12.946 1.023 [OK] 500 64 L ILE C 1 C3H0s 0.770 1.610 2.684 8.540 8.445 1.011 [OK] 501 64 L ILE O 16 O1H0u 0.660 1.420 2.616 20.656 15.930 1.297 [OK] 502 64 L ILE CB 4 C4H1b 0.770 1.880 3.060 17.458 14.146 1.234 possible 503 64 L ILE CG1 9 C4H2b 0.770 1.880 3.296 23.669 24.071 0.983 possible 504 64 L ILE CG2 10 C4H3u 0.770 1.880 3.161 43.394 35.763 1.213 possible 505 64 L ILE CD1 10 C4H3u 0.770 1.880 4.947 55.244 38.219 1.445 possible 506 65 L SER N 12 N3H1s 0.700 1.640 2.834 14.612 13.808 1.058 [OK] 507 65 L SER CA 3 C4H1s 0.770 1.880 2.758 12.574 13.351 0.942 [OK] 508 65 L SER C 1 C3H0s 0.770 1.610 2.425 8.358 8.858 0.944 [OK] 509 65 L SER O 16 O1H0u 0.660 1.420 4.564 34.962 15.860 2.204 possible 510 65 L SER CB 8 C4H2s 0.770 1.880 3.032 24.931 23.599 1.056 possible 511 65 L SER OG 17 O2H1u 0.660 1.460 2.458 17.059 18.021 0.947 [OK] 512 66 L VAL N 12 N3H1s 0.700 1.640 2.626 14.552 13.553 1.074 [OK] 513 66 L VAL CA 3 C4H1s 0.770 1.880 4.730 17.881 13.078 1.367 possible 514 66 L VAL C 1 C3H0s 0.770 1.610 2.517 9.175 8.528 1.076 [OK] 515 66 L VAL O 16 O1H0u 0.660 1.420 2.212 14.551 15.998 0.910 [OK] 516 66 L VAL CB 4 C4H1b 0.770 1.880 3.210 14.362 14.514 0.990 possible 517 66 L VAL CG1 10 C4H3u 0.770 1.880 4.460 44.266 36.320 1.219 possible 518 66 L VAL CG2 10 C4H3u 0.770 1.880 3.219 43.526 36.173 1.203 possible 519 67 L TYR N 12 N3H1s 0.700 1.640 4.612 26.242 13.473 1.948 possible 520 67 L TYR CA 3 C4H1s 0.770 1.880 2.440 11.353 13.249 0.857 [OK] 521 67 L TYR C 1 C3H0s 0.770 1.610 2.347 8.595 8.714 0.986 [OK] 522 67 L TYR O 16 O1H0u 0.660 1.420 3.978 31.035 15.901 1.952 possible 523 67 L TYR CB 8 C4H2s 0.770 1.880 7.014 62.232 23.426 2.657 possible 524 67 L TYR CG 2 C3H0b 0.770 1.610 0.567 -1.000 9.695 -1.000 bad 525 67 L TYR CD1 5 C3H1s 0.770 1.760 13.407 -1.000 20.057 -1.000 bad 526 67 L TYR CD2 5 C3H1s 0.770 1.760 17.968 -1.000 20.578 -1.000 bad 527 67 L TYR CE1 5 C3H1s 0.770 1.760 6.397 -1.000 20.534 -1.000 bad 528 67 L TYR CE2 5 C3H1s 0.770 1.760 23.395 -1.000 20.577 -1.000 bad 529 67 L TYR CZ 2 C3H0b 0.770 1.610 7.817 19.938 9.888 2.016 possible 530 67 L TYR OH 17 O2H1u 0.660 1.460 15.266 -1.000 18.541 -1.000 bad 531 68 L PRO N 11 N3H0u 0.700 1.640 2.717 8.326 8.650 0.963 [OK] 532 68 L PRO CA 4 C4H1b 0.770 1.880 2.618 12.424 13.828 0.898 [OK] 533 68 L PRO C 1 C3H0s 0.770 1.610 2.418 8.890 8.768 1.014 [OK] 534 68 L PRO O 16 O1H0u 0.660 1.420 4.905 39.869 15.856 2.514 possible 535 68 L PRO CB 9 C4H2b 0.770 1.880 2.768 24.649 25.314 0.974 [OK] 536 68 L PRO CG 9 C4H2b 0.770 1.880 4.669 37.964 25.480 1.490 possible 537 68 L PRO CD 8 C4H2s 0.770 1.880 3.929 27.441 23.390 1.173 possible 538 69 L PRO N 11 N3H0u 0.700 1.640 2.455 8.031 8.650 0.928 [OK] 539 69 L PRO CA 4 C4H1b 0.770 1.880 2.892 14.171 13.828 1.025 [OK] 540 69 L PRO C 1 C3H0s 0.770 1.610 2.400 8.240 8.768 0.940 [OK] 541 69 L PRO O 16 O1H0u 0.660 1.420 3.416 16.682 15.856 1.052 possible 542 69 L PRO CB 9 C4H2b 0.770 1.880 3.074 23.417 25.314 0.925 possible 543 69 L PRO CG 9 C4H2b 0.770 1.880 2.920 21.254 25.480 0.834 [OK] 544 69 L PRO CD 8 C4H2s 0.770 1.880 2.707 21.328 23.390 0.912 [OK] 545 70 L ALA N 12 N3H1s 0.700 1.640 3.967 19.674 13.872 1.418 possible 546 70 L ALA CA 4 C4H1b 0.770 1.880 5.483 26.806 13.959 1.920 possible 547 70 L ALA C 1 C3H0s 0.770 1.610 2.439 9.081 8.858 1.025 [OK] 548 70 L ALA O 16 O1H0u 0.660 1.420 2.513 13.795 16.026 0.861 [OK] 549 70 L ALA CB 10 C4H3u 0.770 1.880 43.793 -1.000 36.551 -1.000 bad 550 71 L LEU N 12 N3H1s 0.700 1.640 4.391 22.235 13.517 1.645 possible 551 71 L LEU CA 3 C4H1s 0.770 1.880 2.707 13.198 13.055 1.011 [OK] 552 71 L LEU C 1 C3H0s 0.770 1.610 3.098 9.465 8.781 1.078 possible 553 71 L LEU O 16 O1H0u 0.660 1.420 16.207 -1.000 15.957 -1.000 bad 554 71 L LEU CB 8 C4H2s 0.770 1.880 6.576 42.924 22.818 1.881 possible 555 71 L LEU CG 4 C4H1b 0.770 1.880 12.361 -1.000 14.704 -1.000 bad 556 71 L LEU CD1 10 C4H3u 0.770 1.880 43.908 -1.000 37.235 -1.000 bad 557 71 L LEU CD2 10 C4H3u 0.770 1.880 3.926 35.481 37.020 0.958 possible 558 72 L GLU N 12 N3H1s 0.700 1.640 2.770 12.904 13.461 0.959 [OK] 559 72 L GLU CA 3 C4H1s 0.770 1.880 7.504 -1.000 13.284 -1.000 bad 560 72 L GLU C 1 C3H0s 0.770 1.610 2.847 8.761 8.631 1.015 [OK] 561 72 L GLU O 16 O1H0u 0.660 1.420 32.601 -1.000 15.765 -1.000 bad 562 72 L GLU CB 8 C4H2s 0.770 1.880 18.188 -1.000 23.214 -1.000 bad 563 72 L GLU CG 8 C4H2s 0.770 1.880 39.766 -1.000 23.304 -1.000 bad 564 72 L GLU CD 2 C3H0b 0.770 1.610 3.657 -1.000 9.437 -1.000 bad 565 72 L GLU OE1 16 O1H0u 0.660 1.420 24.703 -1.000 15.497 -1.000 bad 566 72 L GLU OE2 16 O1H0u 0.660 1.420 28.479 -1.000 16.213 -1.000 bad 567 73 L TYR N 12 N3H1s 0.700 1.640 2.749 12.472 13.473 0.926 [OK] 568 73 L TYR CA 3 C4H1s 0.770 1.880 4.644 16.530 13.249 1.248 possible 569 73 L TYR C 1 C3H0s 0.770 1.610 3.218 9.593 8.714 1.101 possible 570 73 L TYR O 16 O1H0u 0.660 1.420 9.682 -1.000 15.901 -1.000 bad 571 73 L TYR CB 8 C4H2s 0.770 1.880 3.280 25.965 23.426 1.108 possible 572 73 L TYR CG 2 C3H0b 0.770 1.610 2.807 9.562 9.695 0.986 [OK] 573 73 L TYR CD1 5 C3H1s 0.770 1.760 12.158 -1.000 20.057 -1.000 bad 574 73 L TYR CD2 5 C3H1s 0.770 1.760 3.074 20.510 20.578 0.997 possible 575 73 L TYR CE1 5 C3H1s 0.770 1.760 20.590 -1.000 20.534 -1.000 bad 576 73 L TYR CE2 5 C3H1s 0.770 1.760 5.253 42.128 20.577 2.047 possible 577 73 L TYR CZ 2 C3H0b 0.770 1.610 4.784 14.509 9.888 1.467 possible 578 73 L TYR OH 17 O2H1u 0.660 1.460 11.917 -1.000 18.541 -1.000 bad 579 74 L GLY N 12 N3H1s 0.700 1.640 3.267 15.260 14.480 1.054 possible 580 74 L GLY CA 8 C4H2s 0.770 1.880 13.097 -1.000 23.470 -1.000 bad 581 74 L GLY C 2 C3H0b 0.770 1.610 2.145 8.113 9.652 0.840 [OK] 582 74 L GLY O 16 O1H0u 0.660 1.420 2.524 14.288 16.154 0.884 [OK] 583 75 L LEU N 12 N3H1s 0.700 1.640 6.010 -1.000 13.517 -1.000 bad 584 75 L LEU CA 3 C4H1s 0.770 1.880 2.482 11.199 13.055 0.858 [OK] 585 75 L LEU C 1 C3H0s 0.770 1.610 7.615 12.855 8.781 1.464 possible 586 75 L LEU O 16 O1H0u 0.660 1.420 14.314 -1.000 15.957 -1.000 bad 587 75 L LEU CB 8 C4H2s 0.770 1.880 14.894 -1.000 22.818 -1.000 bad 588 75 L LEU CG 4 C4H1b 0.770 1.880 2.770 12.325 14.704 0.838 [OK] 589 75 L LEU CD1 10 C4H3u 0.770 1.880 32.190 -1.000 37.235 -1.000 bad 590 75 L LEU CD2 10 C4H3u 0.770 1.880 3.056 32.741 37.020 0.884 possible 591 76 L GLY N 12 N3H1s 0.700 1.640 2.695 -1.000 14.480 -1.000 bad 592 76 L GLY CA 8 C4H2s 0.770 1.880 28.103 -1.000 23.470 -1.000 bad 593 76 L GLY C 2 C3H0b 0.770 1.610 3.201 10.249 9.652 1.062 possible 594 76 L GLY O 16 O1H0u 0.660 1.420 2.534 17.400 16.154 1.077 [OK] 595 77 L GLY N 12 N3H1s 0.700 1.640 6.868 -1.000 14.480 -1.000 bad 596 77 L GLY CA 8 C4H2s 0.770 1.880 7.997 53.768 23.470 2.291 possible 597 77 L GLY C 2 C3H0b 0.770 1.610 4.671 12.752 9.652 1.321 possible 598 77 L GLY O 16 O1H0u 0.660 1.420 24.649 -1.000 16.154 -1.000 bad 599 78 L ALA N 12 N3H1s 0.700 1.640 2.811 15.648 13.872 1.128 [OK] 600 78 L ALA CA 4 C4H1b 0.770 1.880 2.602 12.096 13.959 0.867 [OK] 601 78 L ALA C 1 C3H0s 0.770 1.610 3.807 9.502 8.858 1.073 possible 602 78 L ALA O 16 O1H0u 0.660 1.420 11.397 -1.000 16.026 -1.000 bad 603 78 L ALA CB 10 C4H3u 0.770 1.880 2.700 27.428 36.551 0.750 [OK] 604 79 L PRO N 11 N3H0u 0.700 1.640 6.531 15.962 8.650 1.845 possible 605 79 L PRO CA 4 C4H1b 0.770 1.880 13.079 -1.000 13.828 -1.000 bad 606 79 L PRO C 1 C3H0s 0.770 1.610 2.292 8.289 8.768 0.945 [OK] 607 79 L PRO O 16 O1H0u 0.660 1.420 1.978 11.031 15.856 0.696 [OK] 608 79 L PRO CB 9 C4H2b 0.770 1.880 20.976 -1.000 25.314 -1.000 bad 609 79 L PRO CG 9 C4H2b 0.770 1.880 29.849 -1.000 25.480 -1.000 bad 610 79 L PRO CD 8 C4H2s 0.770 1.880 5.089 26.106 23.390 1.116 possible 611 80 L LEU N 12 N3H1s 0.700 1.640 5.482 28.962 13.517 2.143 possible 612 80 L LEU CA 3 C4H1s 0.770 1.880 2.490 12.060 13.055 0.924 [OK] 613 80 L LEU C 1 C3H0s 0.770 1.610 2.604 8.293 8.781 0.944 [OK] 614 80 L LEU O 16 O1H0u 0.660 1.420 3.746 22.176 15.957 1.390 possible 615 80 L LEU CB 8 C4H2s 0.770 1.880 8.234 -1.000 22.818 -1.000 bad 616 80 L LEU CG 4 C4H1b 0.770 1.880 14.025 -1.000 14.704 -1.000 bad 617 80 L LEU CD1 10 C4H3u 0.770 1.880 14.774 -1.000 37.235 -1.000 bad 618 80 L LEU CD2 10 C4H3u 0.770 1.880 24.584 -1.000 37.020 -1.000 bad 619 81 L ALA N 12 N3H1s 0.700 1.640 5.518 22.447 13.872 1.618 possible 620 81 L ALA CA 4 C4H1b 0.770 1.880 3.989 17.689 13.959 1.267 possible 621 81 L ALA C 1 C3H0s 0.770 1.610 2.928 8.996 8.858 1.016 [OK] 622 81 L ALA O 16 O1H0u 0.660 1.420 6.523 95.749 16.026 5.975 possible 623 81 L ALA CB 10 C4H3u 0.770 1.880 40.891 -1.000 36.551 -1.000 bad 624 82 L LYS N 12 N3H1s 0.700 1.640 2.656 11.481 13.429 0.855 [OK] 625 82 L LYS CA 3 C4H1s 0.770 1.880 5.693 23.370 13.217 1.768 possible 626 82 L LYS C 1 C3H0s 0.770 1.610 4.442 13.495 8.696 1.552 possible 627 82 L LYS O 16 O1H0u 0.660 1.420 4.719 26.972 15.818 1.705 possible 628 82 L LYS CB 8 C4H2s 0.770 1.880 4.476 22.864 22.578 1.013 possible 629 82 L LYS CG 8 C4H2s 0.770 1.880 5.126 30.942 22.847 1.354 possible 630 82 L LYS CD 8 C4H2s 0.770 1.880 6.854 48.058 23.365 2.057 possible 631 82 L LYS CE 9 C4H2b 0.770 1.880 44.890 -1.000 23.720 -1.000 bad 632 82 L LYS NZ 14 N4H3u 0.700 1.640 50.411 -1.000 21.413 -1.000 bad 633 83 L GLY N 12 N3H1s 0.700 1.640 3.719 17.731 14.480 1.225 possible 634 83 L GLY CA 8 C4H2s 0.770 1.880 3.796 26.218 23.470 1.117 possible 635 83 L GLY C 2 C3H0b 0.770 1.610 2.883 9.978 9.652 1.034 [OK] 636 83 L GLY O 16 O1H0u 0.660 1.420 2.401 14.909 16.154 0.923 [OK] 637 84 L GLY N 12 N3H1s 0.700 1.640 2.263 12.525 14.480 0.865 [OK] 638 84 L GLY CA 8 C4H2s 0.770 1.880 4.996 30.743 23.470 1.310 possible 639 84 L GLY C 2 C3H0b 0.770 1.610 3.022 9.640 9.652 0.999 possible 640 84 L GLY O 16 O1H0u 0.660 1.420 3.851 16.643 16.154 1.030 possible 641 85 L LEU N 12 N3H1s 0.700 1.640 3.081 15.115 13.517 1.118 possible 642 85 L LEU CA 3 C4H1s 0.770 1.880 2.671 12.955 13.055 0.992 [OK] 643 85 L LEU C 1 C3H0s 0.770 1.610 2.601 8.927 8.781 1.017 [OK] 644 85 L LEU O 16 O1H0u 0.660 1.420 2.419 15.165 15.957 0.950 [OK] 645 85 L LEU CB 8 C4H2s 0.770 1.880 4.284 31.598 22.818 1.385 possible 646 85 L LEU CG 4 C4H1b 0.770 1.880 2.810 15.083 14.704 1.026 [OK] 647 85 L LEU CD1 10 C4H3u 0.770 1.880 3.656 38.703 37.235 1.039 possible 648 85 L LEU CD2 10 C4H3u 0.770 1.880 3.144 36.182 37.020 0.977 possible 649 86 L TRP N 12 N3H1s 0.700 1.640 3.633 17.548 13.639 1.287 possible 650 86 L TRP CA 3 C4H1s 0.770 1.880 2.898 14.292 13.323 1.073 [OK] 651 86 L TRP C 1 C3H0s 0.770 1.610 2.019 7.703 8.687 0.887 [OK] 652 86 L TRP O 16 O1H0u 0.660 1.420 2.376 13.516 15.797 0.856 [OK] 653 86 L TRP CB 8 C4H2s 0.770 1.880 3.138 22.920 23.826 0.962 possible 654 86 L TRP CG 2 C3H0b 0.770 1.610 2.435 9.207 9.915 0.929 [OK] 655 86 L TRP CD1 5 C3H1s 0.770 1.760 2.688 18.648 20.597 0.905 [OK] 656 86 L TRP CD2 2 C3H0b 0.770 1.610 2.274 8.915 10.068 0.885 [OK] 657 86 L TRP NE1 13 N3H1b 0.700 1.640 2.465 16.088 16.723 0.962 [OK] 658 86 L TRP CE2 2 C3H0b 0.770 1.610 2.479 9.637 9.848 0.979 [OK] 659 86 L TRP CE3 6 C3H1b 0.770 1.760 2.545 16.349 20.383 0.802 [OK] 660 86 L TRP CZ2 6 C3H1b 0.770 1.760 2.718 19.852 20.931 0.948 [OK] 661 86 L TRP CZ3 6 C3H1b 0.770 1.760 2.886 24.797 21.429 1.157 [OK] 662 86 L TRP CH2 6 C3H1b 0.770 1.760 2.999 24.360 21.219 1.148 [OK] 663 87 L GLN N 12 N3H1s 0.700 1.640 2.362 11.553 13.449 0.859 [OK] 664 87 L GLN CA 3 C4H1s 0.770 1.880 2.781 12.941 13.231 0.978 [OK] 665 87 L GLN C 1 C3H0s 0.770 1.610 3.198 9.468 8.744 1.083 possible 666 87 L GLN O 16 O1H0u 0.660 1.420 2.750 16.440 15.767 1.043 [OK] 667 87 L GLN CB 8 C4H2s 0.770 1.880 4.246 27.627 23.059 1.198 possible 668 87 L GLN CG 8 C4H2s 0.770 1.880 3.013 22.485 23.218 0.968 possible 669 87 L GLN CD 2 C3H0b 0.770 1.610 2.406 9.341 9.618 0.971 [OK] 670 87 L GLN OE1 16 O1H0u 0.660 1.420 4.529 23.183 16.571 1.399 possible 671 87 L GLN NE2 15 N3H2u 0.700 1.640 2.670 21.961 23.255 0.944 [OK] 672 88 L ILE N 12 N3H1s 0.700 1.640 3.418 14.334 13.493 1.062 possible 673 88 L ILE CA 3 C4H1s 0.770 1.880 3.569 15.983 12.946 1.235 possible 674 88 L ILE C 1 C3H0s 0.770 1.610 2.615 8.055 8.445 0.954 [OK] 675 88 L ILE O 16 O1H0u 0.660 1.420 2.421 13.306 15.930 0.835 [OK] 676 88 L ILE CB 4 C4H1b 0.770 1.880 2.886 13.607 14.146 0.962 [OK] 677 88 L ILE CG1 9 C4H2b 0.770 1.880 6.669 56.726 24.071 2.357 possible 678 88 L ILE CG2 10 C4H3u 0.770 1.880 3.329 35.951 35.763 1.005 possible 679 88 L ILE CD1 10 C4H3u 0.770 1.880 7.324 66.623 38.219 1.743 possible 680 89 L ILE N 12 N3H1s 0.700 1.640 2.666 13.094 13.493 0.970 [OK] 681 89 L ILE CA 3 C4H1s 0.770 1.880 2.987 15.043 12.946 1.162 [OK] 682 89 L ILE C 1 C3H0s 0.770 1.610 2.514 7.477 8.445 0.885 [OK] 683 89 L ILE O 16 O1H0u 0.660 1.420 2.581 16.163 15.930 1.015 [OK] 684 89 L ILE CB 4 C4H1b 0.770 1.880 2.882 13.885 14.146 0.982 [OK] 685 89 L ILE CG1 9 C4H2b 0.770 1.880 2.873 21.956 24.071 0.912 [OK] 686 89 L ILE CG2 10 C4H3u 0.770 1.880 3.167 38.267 35.763 1.070 possible 687 89 L ILE CD1 10 C4H3u 0.770 1.880 3.213 36.952 38.219 0.967 possible 688 90 L THR N 12 N3H1s 0.700 1.640 2.632 12.818 13.544 0.946 [OK] 689 90 L THR CA 3 C4H1s 0.770 1.880 2.938 13.475 13.025 1.035 [OK] 690 90 L THR C 1 C3H0s 0.770 1.610 2.256 7.789 8.685 0.897 [OK] 691 90 L THR O 16 O1H0u 0.660 1.420 2.342 15.952 15.795 1.010 [OK] 692 90 L THR CB 4 C4H1b 0.770 1.880 2.784 14.320 14.687 0.975 [OK] 693 90 L THR OG1 17 O2H1u 0.660 1.460 2.266 14.440 17.610 0.820 [OK] 694 90 L THR CG2 10 C4H3u 0.770 1.880 3.200 38.140 36.265 1.052 possible 695 91 L ILE N 12 N3H1s 0.700 1.640 2.308 11.913 13.493 0.883 [OK] 696 91 L ILE CA 3 C4H1s 0.770 1.880 2.991 13.526 12.946 1.045 [OK] 697 91 L ILE C 1 C3H0s 0.770 1.610 2.290 7.461 8.445 0.883 [OK] 698 91 L ILE O 16 O1H0u 0.660 1.420 3.256 22.012 15.930 1.382 possible 699 91 L ILE CB 4 C4H1b 0.770 1.880 2.933 13.394 14.146 0.947 [OK] 700 91 L ILE CG1 9 C4H2b 0.770 1.880 3.687 23.602 24.071 0.980 possible 701 91 L ILE CG2 10 C4H3u 0.770 1.880 3.672 39.993 35.763 1.118 possible 702 91 L ILE CD1 10 C4H3u 0.770 1.880 33.655 -1.000 38.219 -1.000 bad 703 92 L CYS N 12 N3H1s 0.700 1.640 2.498 11.789 13.865 0.850 [OK] 704 92 L CYS CA 3 C4H1s 0.770 1.880 2.946 14.611 13.583 1.076 [OK] 705 92 L CYS C 1 C3H0s 0.770 1.610 2.331 8.472 8.786 0.964 [OK] 706 92 L CYS O 16 O1H0u 0.660 1.420 2.513 15.528 16.382 0.948 [OK] 707 92 L CYS CB 9 C4H2b 0.770 1.880 3.037 24.720 23.471 1.053 possible 708 92 L CYS SG 20 S2H1u 1.040 1.770 2.903 40.634 36.748 1.106 [OK] 709 93 L ALA N 12 N3H1s 0.700 1.640 2.553 12.791 13.872 0.922 [OK] 710 93 L ALA CA 4 C4H1b 0.770 1.880 2.926 14.958 13.959 1.072 [OK] 711 93 L ALA C 1 C3H0s 0.770 1.610 2.419 8.338 8.858 0.941 [OK] 712 93 L ALA O 16 O1H0u 0.660 1.420 2.381 12.611 16.026 0.787 [OK] 713 93 L ALA CB 10 C4H3u 0.770 1.880 3.028 38.578 36.551 1.055 possible 714 94 L THR N 12 N3H1s 0.700 1.640 2.612 14.286 13.544 1.055 [OK] 715 94 L THR CA 3 C4H1s 0.770 1.880 3.476 17.397 13.025 1.336 possible 716 94 L THR C 1 C3H0s 0.770 1.610 2.792 7.674 8.685 0.884 [OK] 717 94 L THR O 16 O1H0u 0.660 1.420 2.888 15.398 15.795 0.975 [OK] 718 94 L THR CB 4 C4H1b 0.770 1.880 2.990 14.577 14.687 0.993 [OK] 719 94 L THR OG1 17 O2H1u 0.660 1.460 3.031 23.329 17.610 1.325 possible 720 94 L THR CG2 10 C4H3u 0.770 1.880 4.623 49.813 36.265 1.374 possible 721 95 L GLY N 12 N3H1s 0.700 1.640 3.532 15.081 14.480 1.041 possible 722 95 L GLY CA 8 C4H2s 0.770 1.880 4.678 40.453 23.470 1.724 possible 723 95 L GLY C 2 C3H0b 0.770 1.610 2.229 8.294 9.652 0.859 [OK] 724 95 L GLY O 16 O1H0u 0.660 1.420 3.572 17.791 16.154 1.101 possible 725 96 L ALA N 12 N3H1s 0.700 1.640 2.237 11.133 13.872 0.803 [OK] 726 96 L ALA CA 4 C4H1b 0.770 1.880 2.821 15.330 13.959 1.098 [OK] 727 96 L ALA C 1 C3H0s 0.770 1.610 2.221 8.302 8.858 0.937 [OK] 728 96 L ALA O 16 O1H0u 0.660 1.420 2.399 15.421 16.026 0.962 [OK] 729 96 L ALA CB 10 C4H3u 0.770 1.880 3.260 38.389 36.551 1.050 possible 730 97 L PHE N 12 N3H1s 0.700 1.640 2.136 11.030 13.524 0.816 [OK] 731 97 L PHE CA 3 C4H1s 0.770 1.880 2.751 13.355 13.371 0.999 [OK] 732 97 L PHE C 1 C3H0s 0.770 1.610 2.318 8.255 8.697 0.949 [OK] 733 97 L PHE O 16 O1H0u 0.660 1.420 2.408 14.010 15.961 0.878 [OK] 734 97 L PHE CB 8 C4H2s 0.770 1.880 3.333 25.904 23.623 1.097 possible 735 97 L PHE CG 2 C3H0b 0.770 1.610 2.703 10.607 9.684 1.095 [OK] 736 97 L PHE CD1 5 C3H1s 0.770 1.760 2.822 17.288 20.325 0.851 [OK] 737 97 L PHE CD2 6 C3H1b 0.770 1.760 3.347 25.597 20.948 1.222 possible 738 97 L PHE CE1 6 C3H1b 0.770 1.760 2.789 19.999 21.532 0.929 [OK] 739 97 L PHE CE2 6 C3H1b 0.770 1.760 2.972 23.989 21.625 1.109 [OK] 740 97 L PHE CZ 6 C3H1b 0.770 1.760 2.974 22.230 21.555 1.031 [OK] 741 98 L VAL N 12 N3H1s 0.700 1.640 2.661 13.340 13.553 0.984 [OK] 742 98 L VAL CA 3 C4H1s 0.770 1.880 3.876 15.908 13.078 1.216 possible 743 98 L VAL C 1 C3H0s 0.770 1.610 2.268 7.554 8.528 0.886 [OK] 744 98 L VAL O 16 O1H0u 0.660 1.420 3.201 14.422 15.998 0.901 possible 745 98 L VAL CB 4 C4H1b 0.770 1.880 4.452 18.496 14.514 1.274 possible 746 98 L VAL CG1 10 C4H3u 0.770 1.880 38.488 -1.000 36.320 -1.000 bad 747 98 L VAL CG2 10 C4H3u 0.770 1.880 7.737 87.177 36.173 2.410 possible 748 99 L SER N 12 N3H1s 0.700 1.640 2.937 14.374 13.808 1.041 [OK] 749 99 L SER CA 3 C4H1s 0.770 1.880 3.023 14.543 13.351 1.089 possible 750 99 L SER C 1 C3H0s 0.770 1.610 2.252 7.860 8.858 0.887 [OK] 751 99 L SER O 16 O1H0u 0.660 1.420 2.395 15.141 15.860 0.955 [OK] 752 99 L SER CB 8 C4H2s 0.770 1.880 2.801 21.430 23.599 0.908 [OK] 753 99 L SER OG 17 O2H1u 0.660 1.460 5.296 37.394 18.021 2.075 possible 754 100 L TRP N 12 N3H1s 0.700 1.640 2.336 11.480 13.639 0.842 [OK] 755 100 L TRP CA 3 C4H1s 0.770 1.880 3.074 15.457 13.323 1.160 possible 756 100 L TRP C 1 C3H0s 0.770 1.610 2.422 8.155 8.687 0.939 [OK] 757 100 L TRP O 16 O1H0u 0.660 1.420 2.761 17.872 15.797 1.131 [OK] 758 100 L TRP CB 8 C4H2s 0.770 1.880 2.825 23.397 23.826 0.982 [OK] 759 100 L TRP CG 2 C3H0b 0.770 1.610 2.560 9.615 9.915 0.970 [OK] 760 100 L TRP CD1 5 C3H1s 0.770 1.760 2.831 22.017 20.597 1.069 [OK] 761 100 L TRP CD2 2 C3H0b 0.770 1.610 2.918 11.301 10.068 1.122 [OK] 762 100 L TRP NE1 13 N3H1b 0.700 1.640 2.824 16.089 16.723 0.962 [OK] 763 100 L TRP CE2 2 C3H0b 0.770 1.610 2.909 10.467 9.848 1.063 [OK] 764 100 L TRP CE3 6 C3H1b 0.770 1.760 3.116 26.109 20.383 1.281 possible 765 100 L TRP CZ2 6 C3H1b 0.770 1.760 2.799 18.588 20.931 0.888 [OK] 766 100 L TRP CZ3 6 C3H1b 0.770 1.760 3.077 24.322 21.429 1.135 possible 767 100 L TRP CH2 6 C3H1b 0.770 1.760 2.893 20.039 21.219 0.944 [OK] 768 101 L ALA N 12 N3H1s 0.700 1.640 2.520 12.289 13.872 0.886 [OK] 769 101 L ALA CA 4 C4H1b 0.770 1.880 2.918 15.772 13.959 1.130 [OK] 770 101 L ALA C 1 C3H0s 0.770 1.610 3.142 9.163 8.858 1.034 possible 771 101 L ALA O 16 O1H0u 0.660 1.420 2.861 15.792 16.026 0.985 [OK] 772 101 L ALA CB 10 C4H3u 0.770 1.880 5.074 63.026 36.551 1.724 possible 773 102 L LEU N 12 N3H1s 0.700 1.640 2.839 12.983 13.517 0.960 [OK] 774 102 L LEU CA 3 C4H1s 0.770 1.880 2.933 12.385 13.055 0.949 [OK] 775 102 L LEU C 1 C3H0s 0.770 1.610 2.350 8.408 8.781 0.958 [OK] 776 102 L LEU O 16 O1H0u 0.660 1.420 2.397 15.726 15.957 0.986 [OK] 777 102 L LEU CB 8 C4H2s 0.770 1.880 2.759 20.769 22.818 0.910 [OK] 778 102 L LEU CG 4 C4H1b 0.770 1.880 6.475 20.884 14.704 1.420 possible 779 102 L LEU CD1 10 C4H3u 0.770 1.880 34.586 -1.000 37.235 -1.000 bad 780 102 L LEU CD2 10 C4H3u 0.770 1.880 15.598 -1.000 37.020 -1.000 bad 781 103 L ARG N 12 N3H1s 0.700 1.640 2.407 13.063 13.486 0.969 [OK] 782 103 L ARG CA 3 C4H1s 0.770 1.880 2.784 13.843 13.310 1.040 [OK] 783 103 L ARG C 1 C3H0s 0.770 1.610 2.435 8.154 8.779 0.929 [OK] 784 103 L ARG O 16 O1H0u 0.660 1.420 2.579 14.008 15.916 0.880 [OK] 785 103 L ARG CB 8 C4H2s 0.770 1.880 3.131 25.655 22.833 1.124 possible 786 103 L ARG CG 8 C4H2s 0.770 1.880 3.165 24.012 23.273 1.032 possible 787 103 L ARG CD 8 C4H2s 0.770 1.880 2.861 24.323 22.849 1.065 [OK] 788 103 L ARG NE 13 N3H1b 0.700 1.640 2.993 22.198 15.019 1.478 [OK] 789 103 L ARG CZ 2 C3H0b 0.770 1.610 2.595 10.300 9.678 1.064 [OK] 790 103 L ARG NH1 15 N3H2u 0.700 1.640 2.849 23.699 22.056 1.074 [OK] 791 103 L ARG NH2 15 N3H2u 0.700 1.640 3.017 22.583 23.132 0.976 possible 792 104 L GLU N 12 N3H1s 0.700 1.640 2.932 13.717 13.461 1.019 [OK] 793 104 L GLU CA 3 C4H1s 0.770 1.880 2.857 14.100 13.284 1.061 [OK] 794 104 L GLU C 1 C3H0s 0.770 1.610 2.220 8.082 8.631 0.936 [OK] 795 104 L GLU O 16 O1H0u 0.660 1.420 2.303 14.858 15.765 0.942 [OK] 796 104 L GLU CB 8 C4H2s 0.770 1.880 2.718 20.409 23.214 0.879 [OK] 797 104 L GLU CG 8 C4H2s 0.770 1.880 3.232 25.464 23.304 1.093 possible 798 104 L GLU CD 2 C3H0b 0.770 1.610 2.570 9.778 9.437 1.036 [OK] 799 104 L GLU OE1 16 O1H0u 0.660 1.420 2.465 20.288 15.497 1.309 [OK] 800 104 L GLU OE2 16 O1H0u 0.660 1.420 2.492 18.201 16.213 1.123 [OK] 801 105 L VAL N 12 N3H1s 0.700 1.640 2.246 12.089 13.553 0.892 [OK] 802 105 L VAL CA 3 C4H1s 0.770 1.880 2.865 14.175 13.078 1.084 [OK] 803 105 L VAL C 1 C3H0s 0.770 1.610 2.511 7.617 8.528 0.893 [OK] 804 105 L VAL O 16 O1H0u 0.660 1.420 2.354 13.442 15.998 0.840 [OK] 805 105 L VAL CB 4 C4H1b 0.770 1.880 2.754 12.622 14.514 0.870 [OK] 806 105 L VAL CG1 10 C4H3u 0.770 1.880 12.783 -1.000 36.320 -1.000 bad 807 105 L VAL CG2 10 C4H3u 0.770 1.880 16.385 -1.000 36.173 -1.000 bad 808 106 L GLU N 12 N3H1s 0.700 1.640 2.594 12.347 13.461 0.917 [OK] 809 106 L GLU CA 3 C4H1s 0.770 1.880 2.922 14.234 13.284 1.072 [OK] 810 106 L GLU C 1 C3H0s 0.770 1.610 2.768 9.422 8.631 1.092 [OK] 811 106 L GLU O 16 O1H0u 0.660 1.420 2.963 20.686 15.765 1.312 [OK] 812 106 L GLU CB 8 C4H2s 0.770 1.880 3.462 27.240 23.214 1.173 possible 813 106 L GLU CG 8 C4H2s 0.770 1.880 2.874 23.808 23.304 1.022 [OK] 814 106 L GLU CD 2 C3H0b 0.770 1.610 2.618 9.535 9.437 1.010 [OK] 815 106 L GLU OE1 16 O1H0u 0.660 1.420 2.628 19.286 15.497 1.244 [OK] 816 106 L GLU OE2 16 O1H0u 0.660 1.420 2.363 14.608 16.213 0.901 [OK] 817 107 L ILE N 12 N3H1s 0.700 1.640 2.815 13.702 13.493 1.016 [OK] 818 107 L ILE CA 3 C4H1s 0.770 1.880 3.385 16.555 12.946 1.279 possible 819 107 L ILE C 1 C3H0s 0.770 1.610 2.586 7.563 8.445 0.896 [OK] 820 107 L ILE O 16 O1H0u 0.660 1.420 2.539 15.894 15.930 0.998 [OK] 821 107 L ILE CB 4 C4H1b 0.770 1.880 2.680 13.073 14.146 0.924 [OK] 822 107 L ILE CG1 9 C4H2b 0.770 1.880 3.397 24.985 24.071 1.038 possible 823 107 L ILE CG2 10 C4H3u 0.770 1.880 2.935 32.696 35.763 0.914 [OK] 824 107 L ILE CD1 10 C4H3u 0.770 1.880 3.182 37.977 38.219 0.994 possible 825 108 L CYS N 12 N3H1s 0.700 1.640 2.671 13.094 13.865 0.944 [OK] 826 108 L CYS CA 3 C4H1s 0.770 1.880 2.935 13.874 13.583 1.021 [OK] 827 108 L CYS C 1 C3H0s 0.770 1.610 2.638 8.226 8.786 0.936 [OK] 828 108 L CYS O 16 O1H0u 0.660 1.420 3.148 17.574 16.382 1.073 possible 829 108 L CYS CB 9 C4H2b 0.770 1.880 2.837 21.433 23.471 0.913 [OK] 830 108 L CYS SG 20 S2H1u 1.040 1.770 2.757 33.484 36.748 0.911 [OK] 831 109 L ARG N 12 N3H1s 0.700 1.640 2.704 12.497 13.486 0.927 [OK] 832 109 L ARG CA 3 C4H1s 0.770 1.880 4.049 21.876 13.310 1.644 possible 833 109 L ARG C 1 C3H0s 0.770 1.610 2.463 8.366 8.779 0.953 [OK] 834 109 L ARG O 16 O1H0u 0.660 1.420 3.599 28.422 15.916 1.786 possible 835 109 L ARG CB 8 C4H2s 0.770 1.880 4.371 31.272 22.833 1.370 possible 836 109 L ARG CG 8 C4H2s 0.770 1.880 2.910 21.630 23.273 0.929 [OK] 837 109 L ARG CD 8 C4H2s 0.770 1.880 4.549 31.646 22.849 1.385 possible 838 109 L ARG NE 13 N3H1b 0.700 1.640 2.863 14.547 15.019 0.969 [OK] 839 109 L ARG CZ 2 C3H0b 0.770 1.610 3.890 11.692 9.678 1.208 possible 840 109 L ARG NH1 15 N3H2u 0.700 1.640 43.685 -1.000 22.056 -1.000 bad 841 109 L ARG NH2 15 N3H2u 0.700 1.640 20.324 -1.000 23.132 -1.000 bad 842 110 L LYS N 12 N3H1s 0.700 1.640 2.551 13.459 13.429 1.002 [OK] 843 110 L LYS CA 3 C4H1s 0.770 1.880 2.980 15.761 13.217 1.192 [OK] 844 110 L LYS C 1 C3H0s 0.770 1.610 2.730 8.857 8.696 1.018 [OK] 845 110 L LYS O 16 O1H0u 0.660 1.420 2.557 17.784 15.818 1.124 [OK] 846 110 L LYS CB 8 C4H2s 0.770 1.880 3.159 26.164 22.578 1.159 possible 847 110 L LYS CG 8 C4H2s 0.770 1.880 3.118 27.051 22.847 1.184 possible 848 110 L LYS CD 8 C4H2s 0.770 1.880 3.396 25.014 23.365 1.071 possible 849 110 L LYS CE 9 C4H2b 0.770 1.880 3.514 27.459 23.720 1.158 possible 850 110 L LYS NZ 14 N4H3u 0.700 1.640 2.688 20.133 21.413 0.940 [OK] 851 111 L LEU N 12 N3H1s 0.700 1.640 2.655 13.199 13.517 0.976 [OK] 852 111 L LEU CA 3 C4H1s 0.770 1.880 2.934 12.794 13.055 0.980 [OK] 853 111 L LEU C 1 C3H0s 0.770 1.610 2.502 9.103 8.781 1.037 [OK] 854 111 L LEU O 16 O1H0u 0.660 1.420 2.702 18.586 15.957 1.165 [OK] 855 111 L LEU CB 8 C4H2s 0.770 1.880 2.818 23.037 22.818 1.010 [OK] 856 111 L LEU CG 4 C4H1b 0.770 1.880 2.917 14.450 14.704 0.983 [OK] 857 111 L LEU CD1 10 C4H3u 0.770 1.880 2.935 33.906 37.235 0.911 [OK] 858 111 L LEU CD2 10 C4H3u 0.770 1.880 3.143 37.893 37.020 1.024 possible 859 112 L GLY N 12 N3H1s 0.700 1.640 2.437 13.424 14.480 0.927 [OK] 860 112 L GLY CA 8 C4H2s 0.770 1.880 3.755 33.610 23.470 1.432 possible 861 112 L GLY C 2 C3H0b 0.770 1.610 3.217 11.386 9.652 1.180 possible 862 112 L GLY O 16 O1H0u 0.660 1.420 2.606 20.121 16.154 1.246 [OK] 863 113 L ILE N 12 N3H1s 0.700 1.640 2.734 13.169 13.493 0.976 [OK] 864 113 L ILE CA 3 C4H1s 0.770 1.880 2.753 13.196 12.946 1.019 [OK] 865 113 L ILE C 1 C3H0s 0.770 1.610 2.145 8.189 8.445 0.970 [OK] 866 113 L ILE O 16 O1H0u 0.660 1.420 3.125 20.496 15.930 1.287 possible 867 113 L ILE CB 4 C4H1b 0.770 1.880 2.757 13.273 14.146 0.938 [OK] 868 113 L ILE CG1 9 C4H2b 0.770 1.880 2.644 20.574 24.071 0.855 [OK] 869 113 L ILE CG2 10 C4H3u 0.770 1.880 3.105 33.959 35.763 0.950 possible 870 113 L ILE CD1 10 C4H3u 0.770 1.880 3.367 45.302 38.219 1.185 possible 871 114 L GLY N 12 N3H1s 0.700 1.640 2.604 13.795 14.480 0.953 [OK] 872 114 L GLY CA 8 C4H2s 0.770 1.880 2.939 22.604 23.470 0.963 [OK] 873 114 L GLY C 2 C3H0b 0.770 1.610 2.583 10.031 9.652 1.039 [OK] 874 114 L GLY O 16 O1H0u 0.660 1.420 2.246 15.467 16.154 0.957 [OK] 875 115 L TYR N 12 N3H1s 0.700 1.640 2.702 13.393 13.473 0.994 [OK] 876 115 L TYR CA 3 C4H1s 0.770 1.880 2.716 13.509 13.249 1.020 [OK] 877 115 L TYR C 1 C3H0s 0.770 1.610 3.391 11.676 8.714 1.340 possible 878 115 L TYR O 16 O1H0u 0.660 1.420 3.725 18.274 15.901 1.149 possible 879 115 L TYR CB 8 C4H2s 0.770 1.880 6.545 56.151 23.426 2.397 possible 880 115 L TYR CG 2 C3H0b 0.770 1.610 4.498 12.836 9.695 1.324 possible 881 115 L TYR CD1 5 C3H1s 0.770 1.760 3.416 22.805 20.057 1.137 possible 882 115 L TYR CD2 5 C3H1s 0.770 1.760 14.043 -1.000 20.578 -1.000 bad 883 115 L TYR CE1 5 C3H1s 0.770 1.760 3.423 23.590 20.534 1.149 possible 884 115 L TYR CE2 5 C3H1s 0.770 1.760 17.108 -1.000 20.577 -1.000 bad 885 115 L TYR CZ 2 C3H0b 0.770 1.610 4.998 15.046 9.888 1.522 possible 886 115 L TYR OH 17 O2H1u 0.660 1.460 5.417 37.835 18.541 2.041 possible 887 116 L HIS N 12 N3H1s 0.700 1.640 3.009 14.108 13.532 1.043 possible 888 116 L HIS CA 3 C4H1s 0.770 1.880 3.528 17.229 13.335 1.292 possible 889 116 L HIS C 1 C3H0s 0.770 1.610 2.073 7.791 8.760 0.889 [OK] 890 116 L HIS O 16 O1H0u 0.660 1.420 2.724 16.194 15.855 1.021 [OK] 891 116 L HIS CB 8 C4H2s 0.770 1.880 3.293 23.616 23.443 1.007 possible 892 116 L HIS CG 2 C3H0b 0.770 1.610 2.866 10.623 9.870 1.076 [OK] 893 116 L HIS ND1 13 N3H1b 0.700 1.640 2.823 15.734 15.483 1.016 [OK] 894 116 L HIS CD2 5 C3H1s 0.770 1.760 3.525 27.670 20.938 1.322 possible 895 116 L HIS CE1 5 C3H1s 0.770 1.760 3.493 28.883 20.491 1.410 possible 896 116 L HIS NE2 13 N3H1b 0.700 1.640 2.725 16.752 15.758 1.063 [OK] 897 117 L ILE N 12 N3H1s 0.700 1.640 2.550 11.996 13.493 0.889 [OK] 898 117 L ILE CA 3 C4H1s 0.770 1.880 3.257 13.789 12.946 1.065 possible 899 117 L ILE C 1 C3H0s 0.770 1.610 2.399 8.117 8.445 0.961 [OK] 900 117 L ILE O 16 O1H0u 0.660 1.420 2.491 15.237 15.930 0.956 [OK] 901 117 L ILE CB 4 C4H1b 0.770 1.880 2.735 11.369 14.146 0.804 [OK] 902 117 L ILE CG1 9 C4H2b 0.770 1.880 3.264 22.861 24.071 0.950 possible 903 117 L ILE CG2 10 C4H3u 0.770 1.880 3.222 34.847 35.763 0.974 possible 904 117 L ILE CD1 10 C4H3u 0.770 1.880 3.312 36.649 38.219 0.959 possible 905 118 L PRO N 11 N3H0u 0.700 1.640 2.339 8.529 8.650 0.986 [OK] 906 118 L PRO CA 4 C4H1b 0.770 1.880 2.917 16.087 13.828 1.163 [OK] 907 118 L PRO C 1 C3H0s 0.770 1.610 4.803 10.743 8.768 1.225 possible 908 118 L PRO O 16 O1H0u 0.660 1.420 4.320 22.152 15.856 1.397 possible 909 118 L PRO CB 9 C4H2b 0.770 1.880 4.980 37.520 25.314 1.482 possible 910 118 L PRO CG 9 C4H2b 0.770 1.880 2.938 24.231 25.480 0.951 [OK] 911 118 L PRO CD 8 C4H2s 0.770 1.880 2.749 22.447 23.390 0.960 [OK] 912 119 L PHE N 12 N3H1s 0.700 1.640 4.839 18.022 13.524 1.333 possible 913 119 L PHE CA 3 C4H1s 0.770 1.880 5.586 22.556 13.371 1.687 possible 914 119 L PHE C 1 C3H0s 0.770 1.610 2.283 7.764 8.697 0.893 [OK] 915 119 L PHE O 16 O1H0u 0.660 1.420 2.952 17.979 15.961 1.126 [OK] 916 119 L PHE CB 8 C4H2s 0.770 1.880 3.965 23.743 23.623 1.005 possible 917 119 L PHE CG 2 C3H0b 0.770 1.610 3.514 13.434 9.684 1.387 possible 918 119 L PHE CD1 5 C3H1s 0.770 1.760 22.995 -1.000 20.325 -1.000 bad 919 119 L PHE CD2 6 C3H1b 0.770 1.760 3.709 31.859 20.948 1.521 possible 920 119 L PHE CE1 6 C3H1b 0.770 1.760 33.376 -1.000 21.532 -1.000 bad 921 119 L PHE CE2 6 C3H1b 0.770 1.760 5.238 46.926 21.625 2.170 possible 922 119 L PHE CZ 6 C3H1b 0.770 1.760 22.215 -1.000 21.555 -1.000 bad 923 120 L ALA N 12 N3H1s 0.700 1.640 2.651 12.014 13.872 0.866 [OK] 924 120 L ALA CA 4 C4H1b 0.770 1.880 2.795 13.827 13.959 0.991 [OK] 925 120 L ALA C 1 C3H0s 0.770 1.610 2.455 8.008 8.858 0.904 [OK] 926 120 L ALA O 16 O1H0u 0.660 1.420 2.435 15.802 16.026 0.986 [OK] 927 120 L ALA CB 10 C4H3u 0.770 1.880 3.105 37.172 36.551 1.017 possible 928 121 L PHE N 12 N3H1s 0.700 1.640 2.177 11.331 13.524 0.838 [OK] 929 121 L PHE CA 3 C4H1s 0.770 1.880 2.856 13.198 13.371 0.987 [OK] 930 121 L PHE C 1 C3H0s 0.770 1.610 2.397 7.977 8.697 0.917 [OK] 931 121 L PHE O 16 O1H0u 0.660 1.420 2.449 13.991 15.961 0.877 [OK] 932 121 L PHE CB 8 C4H2s 0.770 1.880 2.891 22.411 23.623 0.949 [OK] 933 121 L PHE CG 2 C3H0b 0.770 1.610 2.563 9.638 9.684 0.995 [OK] 934 121 L PHE CD1 5 C3H1s 0.770 1.760 2.692 17.135 20.325 0.843 [OK] 935 121 L PHE CD2 6 C3H1b 0.770 1.760 3.018 23.134 20.948 1.104 possible 936 121 L PHE CE1 6 C3H1b 0.770 1.760 2.930 21.809 21.532 1.013 [OK] 937 121 L PHE CE2 6 C3H1b 0.770 1.760 2.641 18.230 21.625 0.843 [OK] 938 121 L PHE CZ 6 C3H1b 0.770 1.760 2.884 22.958 21.555 1.065 [OK] 939 122 L ALA N 12 N3H1s 0.700 1.640 2.862 13.707 13.872 0.988 [OK] 940 122 L ALA CA 4 C4H1b 0.770 1.880 3.054 14.909 13.959 1.068 possible 941 122 L ALA C 1 C3H0s 0.770 1.610 3.123 9.274 8.858 1.047 possible 942 122 L ALA O 16 O1H0u 0.660 1.420 3.399 20.382 16.026 1.272 possible 943 122 L ALA CB 10 C4H3u 0.770 1.880 39.475 -1.000 36.551 -1.000 bad 944 123 L PHE N 12 N3H1s 0.700 1.640 2.468 11.412 13.524 0.844 [OK] 945 123 L PHE CA 3 C4H1s 0.770 1.880 3.317 15.081 13.371 1.128 possible 946 123 L PHE C 1 C3H0s 0.770 1.610 2.370 8.279 8.697 0.952 [OK] 947 123 L PHE O 16 O1H0u 0.660 1.420 3.142 16.978 15.961 1.064 possible 948 123 L PHE CB 8 C4H2s 0.770 1.880 3.278 22.801 23.623 0.965 possible 949 123 L PHE CG 2 C3H0b 0.770 1.610 3.051 10.073 9.684 1.040 possible 950 123 L PHE CD1 5 C3H1s 0.770 1.760 3.547 20.999 20.325 1.033 possible 951 123 L PHE CD2 6 C3H1b 0.770 1.760 3.517 27.704 20.948 1.323 possible 952 123 L PHE CE1 6 C3H1b 0.770 1.760 5.882 38.923 21.532 1.808 possible 953 123 L PHE CE2 6 C3H1b 0.770 1.760 7.158 51.980 21.625 2.404 possible 954 123 L PHE CZ 6 C3H1b 0.770 1.760 23.327 -1.000 21.555 -1.000 bad 955 124 L ALA N 12 N3H1s 0.700 1.640 2.652 13.610 13.872 0.981 [OK] 956 124 L ALA CA 4 C4H1b 0.770 1.880 3.056 16.031 13.959 1.148 possible 957 124 L ALA C 1 C3H0s 0.770 1.610 2.105 7.603 8.858 0.858 [OK] 958 124 L ALA O 16 O1H0u 0.660 1.420 2.253 13.529 16.026 0.844 [OK] 959 124 L ALA CB 10 C4H3u 0.770 1.880 3.096 36.525 36.551 0.999 possible 960 125 L ILE N 12 N3H1s 0.700 1.640 2.502 12.997 13.493 0.963 [OK] 961 125 L ILE CA 3 C4H1s 0.770 1.880 3.143 14.259 12.946 1.101 possible 962 125 L ILE C 1 C3H0s 0.770 1.610 2.514 7.500 8.445 0.888 [OK] 963 125 L ILE O 16 O1H0u 0.660 1.420 2.709 16.386 15.930 1.029 [OK] 964 125 L ILE CB 4 C4H1b 0.770 1.880 3.086 13.636 14.146 0.964 possible 965 125 L ILE CG1 9 C4H2b 0.770 1.880 2.895 23.770 24.071 0.987 [OK] 966 125 L ILE CG2 10 C4H3u 0.770 1.880 5.291 57.663 35.763 1.612 possible 967 125 L ILE CD1 10 C4H3u 0.770 1.880 4.572 43.707 38.219 1.144 possible 968 126 L LEU N 12 N3H1s 0.700 1.640 2.690 12.323 13.517 0.912 [OK] 969 126 L LEU CA 3 C4H1s 0.770 1.880 2.975 13.740 13.055 1.052 [OK] 970 126 L LEU C 1 C3H0s 0.770 1.610 2.920 8.667 8.781 0.987 [OK] 971 126 L LEU O 16 O1H0u 0.660 1.420 2.682 17.459 15.957 1.094 [OK] 972 126 L LEU CB 8 C4H2s 0.770 1.880 3.506 20.864 22.818 0.914 possible 973 126 L LEU CG 4 C4H1b 0.770 1.880 3.430 16.884 14.704 1.148 possible 974 126 L LEU CD1 10 C4H3u 0.770 1.880 41.801 -1.000 37.235 -1.000 bad 975 126 L LEU CD2 10 C4H3u 0.770 1.880 42.184 -1.000 37.020 -1.000 bad 976 127 L ALA N 12 N3H1s 0.700 1.640 3.265 13.390 13.872 0.965 possible 977 127 L ALA CA 4 C4H1b 0.770 1.880 3.279 17.193 13.959 1.232 possible 978 127 L ALA C 1 C3H0s 0.770 1.610 2.732 8.602 8.858 0.971 [OK] 979 127 L ALA O 16 O1H0u 0.660 1.420 2.564 17.281 16.026 1.078 [OK] 980 127 L ALA CB 10 C4H3u 0.770 1.880 3.155 36.071 36.551 0.987 possible 981 128 L TYR N 12 N3H1s 0.700 1.640 2.410 13.013 13.473 0.966 [OK] 982 128 L TYR CA 3 C4H1s 0.770 1.880 3.105 16.305 13.249 1.231 possible 983 128 L TYR C 1 C3H0s 0.770 1.610 2.099 7.457 8.714 0.856 [OK] 984 128 L TYR O 16 O1H0u 0.660 1.420 2.420 15.284 15.901 0.961 [OK] 985 128 L TYR CB 8 C4H2s 0.770 1.880 3.040 23.856 23.426 1.018 possible 986 128 L TYR CG 2 C3H0b 0.770 1.610 2.557 9.841 9.695 1.015 [OK] 987 128 L TYR CD1 5 C3H1s 0.770 1.760 2.936 21.529 20.057 1.073 [OK] 988 128 L TYR CD2 5 C3H1s 0.770 1.760 3.326 22.179 20.578 1.078 possible 989 128 L TYR CE1 5 C3H1s 0.770 1.760 3.010 22.828 20.534 1.112 possible 990 128 L TYR CE2 5 C3H1s 0.770 1.760 2.927 22.421 20.577 1.090 [OK] 991 128 L TYR CZ 2 C3H0b 0.770 1.610 2.614 10.002 9.888 1.012 [OK] 992 128 L TYR OH 17 O2H1u 0.660 1.460 2.553 18.902 18.541 1.019 [OK] 993 129 L LEU N 12 N3H1s 0.700 1.640 2.338 12.400 13.517 0.917 [OK] 994 129 L LEU CA 3 C4H1s 0.770 1.880 2.605 11.353 13.055 0.870 [OK] 995 129 L LEU C 1 C3H0s 0.770 1.610 2.294 8.048 8.781 0.917 [OK] 996 129 L LEU O 16 O1H0u 0.660 1.420 2.426 14.084 15.957 0.883 [OK] 997 129 L LEU CB 8 C4H2s 0.770 1.880 3.038 22.827 22.818 1.000 possible 998 129 L LEU CG 4 C4H1b 0.770 1.880 3.377 18.250 14.704 1.241 possible 999 129 L LEU CD1 10 C4H3u 0.770 1.880 3.454 40.458 37.235 1.087 possible 1000 129 L LEU CD2 10 C4H3u 0.770 1.880 7.211 87.918 37.020 2.375 possible 1001 130 L THR N 12 N3H1s 0.700 1.640 2.385 12.505 13.544 0.923 [OK] 1002 130 L THR CA 3 C4H1s 0.770 1.880 2.640 12.414 13.025 0.953 [OK] 1003 130 L THR C 1 C3H0s 0.770 1.610 2.658 7.877 8.685 0.907 [OK] 1004 130 L THR O 16 O1H0u 0.660 1.420 2.648 15.537 15.795 0.984 [OK] 1005 130 L THR CB 4 C4H1b 0.770 1.880 3.039 15.142 14.687 1.031 possible 1006 130 L THR OG1 17 O2H1u 0.660 1.460 4.668 32.435 17.610 1.842 possible 1007 130 L THR CG2 10 C4H3u 0.770 1.880 3.158 42.962 36.265 1.185 possible 1008 131 L LEU N 12 N3H1s 0.700 1.640 2.483 13.221 13.517 0.978 [OK] 1009 131 L LEU CA 3 C4H1s 0.770 1.880 3.076 14.419 13.055 1.105 possible 1010 131 L LEU C 1 C3H0s 0.770 1.610 2.258 8.555 8.781 0.974 [OK] 1011 131 L LEU O 16 O1H0u 0.660 1.420 2.430 16.811 15.957 1.054 [OK] 1012 131 L LEU CB 8 C4H2s 0.770 1.880 2.897 21.010 22.818 0.921 [OK] 1013 131 L LEU CG 4 C4H1b 0.770 1.880 2.875 15.022 14.704 1.022 [OK] 1014 131 L LEU CD1 10 C4H3u 0.770 1.880 3.082 38.755 37.235 1.041 possible 1015 131 L LEU CD2 10 C4H3u 0.770 1.880 3.080 35.513 37.020 0.959 possible 1016 132 L VAL N 12 N3H1s 0.700 1.640 2.381 12.206 13.553 0.901 [OK] 1017 132 L VAL CA 3 C4H1s 0.770 1.880 2.624 12.321 13.078 0.942 [OK] 1018 132 L VAL C 1 C3H0s 0.770 1.610 2.309 8.159 8.528 0.957 [OK] 1019 132 L VAL O 16 O1H0u 0.660 1.420 2.678 21.687 15.998 1.356 [OK] 1020 132 L VAL CB 4 C4H1b 0.770 1.880 2.737 14.967 14.514 1.031 [OK] 1021 132 L VAL CG1 10 C4H3u 0.770 1.880 2.887 34.403 36.320 0.947 [OK] 1022 132 L VAL CG2 10 C4H3u 0.770 1.880 3.197 33.972 36.173 0.939 possible 1023 133 L LEU N 12 N3H1s 0.700 1.640 2.330 12.961 13.517 0.959 [OK] 1024 133 L LEU CA 3 C4H1s 0.770 1.880 2.676 11.832 13.055 0.906 [OK] 1025 133 L LEU C 1 C3H0s 0.770 1.610 2.457 7.907 8.781 0.900 [OK] 1026 133 L LEU O 16 O1H0u 0.660 1.420 3.007 16.308 15.957 1.022 possible 1027 133 L LEU CB 8 C4H2s 0.770 1.880 3.197 25.179 22.818 1.103 possible 1028 133 L LEU CG 4 C4H1b 0.770 1.880 3.486 14.437 14.704 0.982 possible 1029 133 L LEU CD1 10 C4H3u 0.770 1.880 7.981 -1.000 37.235 -1.000 bad 1030 133 L LEU CD2 10 C4H3u 0.770 1.880 23.521 -1.000 37.020 -1.000 bad 1031 134 L PHE N 12 N3H1s 0.700 1.640 2.485 13.021 13.524 0.963 [OK] 1032 134 L PHE CA 3 C4H1s 0.770 1.880 4.061 16.956 13.371 1.268 possible 1033 134 L PHE C 1 C3H0s 0.770 1.610 2.175 8.209 8.697 0.944 [OK] 1034 134 L PHE O 16 O1H0u 0.660 1.420 3.615 18.988 15.961 1.190 possible 1035 134 L PHE CB 8 C4H2s 0.770 1.880 4.957 34.075 23.623 1.442 possible 1036 134 L PHE CG 2 C3H0b 0.770 1.610 7.664 18.902 9.684 1.952 possible 1037 134 L PHE CD1 5 C3H1s 0.770 1.760 14.141 -1.000 20.325 -1.000 bad 1038 134 L PHE CD2 6 C3H1b 0.770 1.760 8.823 -1.000 20.948 -1.000 bad 1039 134 L PHE CE1 6 C3H1b 0.770 1.760 20.422 -1.000 21.532 -1.000 bad 1040 134 L PHE CE2 6 C3H1b 0.770 1.760 8.321 -1.000 21.625 -1.000 bad 1041 134 L PHE CZ 6 C3H1b 0.770 1.760 19.757 -1.000 21.555 -1.000 bad 1042 135 L ARG N 12 N3H1s 0.700 1.640 2.522 13.464 13.486 0.998 [OK] 1043 135 L ARG CA 3 C4H1s 0.770 1.880 2.966 13.989 13.310 1.051 [OK] 1044 135 L ARG C 1 C3H0s 0.770 1.610 2.684 8.619 8.779 0.982 [OK] 1045 135 L ARG O 16 O1H0u 0.660 1.420 2.407 14.075 15.916 0.884 [OK] 1046 135 L ARG CB 8 C4H2s 0.770 1.880 3.080 23.262 22.833 1.019 possible 1047 135 L ARG CG 8 C4H2s 0.770 1.880 2.989 27.127 23.273 1.166 [OK] 1048 135 L ARG CD 8 C4H2s 0.770 1.880 3.080 25.404 22.849 1.112 possible 1049 135 L ARG NE 13 N3H1b 0.700 1.640 2.751 16.983 15.019 1.131 [OK] 1050 135 L ARG CZ 2 C3H0b 0.770 1.610 2.568 9.441 9.678 0.976 [OK] 1051 135 L ARG NH1 15 N3H2u 0.700 1.640 2.673 22.925 22.056 1.039 [OK] 1052 135 L ARG NH2 15 N3H2u 0.700 1.640 4.245 43.591 23.132 1.884 possible 1053 136 L PRO N 11 N3H0u 0.700 1.640 2.727 9.135 8.650 1.056 [OK] 1054 136 L PRO CA 4 C4H1b 0.770 1.880 2.765 14.009 13.828 1.013 [OK] 1055 136 L PRO C 1 C3H0s 0.770 1.610 2.438 8.362 8.768 0.954 [OK] 1056 136 L PRO O 16 O1H0u 0.660 1.420 2.174 13.653 15.856 0.861 [OK] 1057 136 L PRO CB 9 C4H2b 0.770 1.880 3.087 26.250 25.314 1.037 possible 1058 136 L PRO CG 9 C4H2b 0.770 1.880 3.112 23.587 25.480 0.926 possible 1059 136 L PRO CD 8 C4H2s 0.770 1.880 2.659 20.377 23.390 0.871 [OK] 1060 137 L VAL N 12 N3H1s 0.700 1.640 2.590 13.787 13.553 1.017 [OK] 1061 137 L VAL CA 3 C4H1s 0.770 1.880 2.592 11.861 13.078 0.907 [OK] 1062 137 L VAL C 1 C3H0s 0.770 1.610 2.408 7.272 8.528 0.853 [OK] 1063 137 L VAL O 16 O1H0u 0.660 1.420 6.069 -1.000 15.998 -1.000 bad 1064 137 L VAL CB 4 C4H1b 0.770 1.880 3.699 15.686 14.514 1.081 possible 1065 137 L VAL CG1 10 C4H3u 0.770 1.880 42.528 -1.000 36.320 -1.000 bad 1066 137 L VAL CG2 10 C4H3u 0.770 1.880 17.017 -1.000 36.173 -1.000 bad 1067 138 L MET N 12 N3H1s 0.700 1.640 2.515 12.705 13.405 0.948 [OK] 1068 138 L MET CA 3 C4H1s 0.770 1.880 7.012 26.353 13.194 1.997 possible 1069 138 L MET C 1 C3H0s 0.770 1.610 2.439 8.713 8.756 0.995 [OK] 1070 138 L MET O 16 O1H0u 0.660 1.420 7.484 50.547 16.002 3.159 possible 1071 138 L MET CB 8 C4H2s 0.770 1.880 2.980 22.306 23.418 0.953 [OK] 1072 138 L MET CG 9 C4H2b 0.770 1.880 24.461 -1.000 23.830 -1.000 bad 1073 138 L MET SD 19 S2H0u 1.040 1.770 14.087 -1.000 30.207 -1.000 bad 1074 138 L MET CE 10 C4H3u 0.770 1.880 19.984 -1.000 37.003 -1.000 bad 1075 139 L MET N 12 N3H1s 0.700 1.640 2.523 11.882 13.405 0.886 [OK] 1076 139 L MET CA 3 C4H1s 0.770 1.880 4.190 18.733 13.194 1.420 possible 1077 139 L MET C 1 C3H0s 0.770 1.610 3.049 9.485 8.756 1.083 possible 1078 139 L MET O 16 O1H0u 0.660 1.420 31.470 -1.000 16.002 -1.000 bad 1079 139 L MET CB 8 C4H2s 0.770 1.880 3.540 21.250 23.418 0.907 possible 1080 139 L MET CG 9 C4H2b 0.770 1.880 3.411 24.792 23.830 1.040 possible 1081 139 L MET SD 19 S2H0u 1.040 1.770 2.865 27.584 30.207 0.913 [OK] 1082 139 L MET CE 10 C4H3u 0.770 1.880 3.783 43.250 37.003 1.169 possible 1083 140 L GLY N 12 N3H1s 0.700 1.640 3.031 12.403 14.480 0.857 possible 1084 140 L GLY CA 8 C4H2s 0.770 1.880 17.028 -1.000 23.470 -1.000 bad 1085 140 L GLY C 2 C3H0b 0.770 1.610 3.568 10.987 9.652 1.138 possible 1086 140 L GLY O 16 O1H0u 0.660 1.420 14.712 -1.000 16.154 -1.000 bad 1087 141 L ALA N 12 N3H1s 0.700 1.640 2.625 14.240 13.872 1.027 [OK] 1088 141 L ALA CA 4 C4H1b 0.770 1.880 2.388 11.379 13.959 0.815 [OK] 1089 141 L ALA C 1 C3H0s 0.770 1.610 2.411 8.048 8.858 0.909 [OK] 1090 141 L ALA O 16 O1H0u 0.660 1.420 2.284 15.276 16.026 0.953 [OK] 1091 141 L ALA CB 10 C4H3u 0.770 1.880 4.476 37.927 36.551 1.038 possible 1092 142 L TRP N 12 N3H1s 0.700 1.640 2.514 13.528 13.639 0.992 [OK] 1093 142 L TRP CA 3 C4H1s 0.770 1.880 2.944 13.546 13.323 1.017 [OK] 1094 142 L TRP C 1 C3H0s 0.770 1.610 2.402 8.627 8.687 0.993 [OK] 1095 142 L TRP O 16 O1H0u 0.660 1.420 2.683 16.637 15.797 1.053 [OK] 1096 142 L TRP CB 8 C4H2s 0.770 1.880 2.798 22.627 23.826 0.950 [OK] 1097 142 L TRP CG 2 C3H0b 0.770 1.610 2.585 9.961 9.915 1.005 [OK] 1098 142 L TRP CD1 5 C3H1s 0.770 1.760 2.819 16.157 20.597 0.784 [OK] 1099 142 L TRP CD2 2 C3H0b 0.770 1.610 2.688 10.817 10.068 1.074 [OK] 1100 142 L TRP NE1 13 N3H1b 0.700 1.640 2.433 14.049 16.723 0.840 [OK] 1101 142 L TRP CE2 2 C3H0b 0.770 1.610 2.603 9.957 9.848 1.011 [OK] 1102 142 L TRP CE3 6 C3H1b 0.770 1.760 2.962 23.821 20.383 1.169 [OK] 1103 142 L TRP CZ2 6 C3H1b 0.770 1.760 6.250 40.231 20.931 1.922 possible 1104 142 L TRP CZ3 6 C3H1b 0.770 1.760 2.872 21.625 21.429 1.009 [OK] 1105 142 L TRP CH2 6 C3H1b 0.770 1.760 7.036 32.694 21.219 1.541 possible 1106 143 L GLY N 12 N3H1s 0.700 1.640 2.446 13.583 14.480 0.938 [OK] 1107 143 L GLY CA 8 C4H2s 0.770 1.880 3.504 25.146 23.470 1.071 possible 1108 143 L GLY C 2 C3H0b 0.770 1.610 2.416 9.349 9.652 0.969 [OK] 1109 143 L GLY O 16 O1H0u 0.660 1.420 7.687 78.873 16.154 4.883 possible 1110 144 L TYR N 12 N3H1s 0.700 1.640 2.424 13.802 13.473 1.024 [OK] 1111 144 L TYR CA 3 C4H1s 0.770 1.880 4.235 15.256 13.249 1.151 possible 1112 144 L TYR C 1 C3H0s 0.770 1.610 2.849 9.612 8.714 1.103 [OK] 1113 144 L TYR O 16 O1H0u 0.660 1.420 3.632 21.383 15.901 1.345 possible 1114 144 L TYR CB 8 C4H2s 0.770 1.880 2.946 25.405 23.426 1.084 [OK] 1115 144 L TYR CG 2 C3H0b 0.770 1.610 2.439 8.793 9.695 0.907 [OK] 1116 144 L TYR CD1 5 C3H1s 0.770 1.760 6.046 44.832 20.057 2.235 possible 1117 144 L TYR CD2 5 C3H1s 0.770 1.760 2.548 18.206 20.578 0.885 [OK] 1118 144 L TYR CE1 5 C3H1s 0.770 1.760 6.608 66.996 20.534 3.263 possible 1119 144 L TYR CE2 5 C3H1s 0.770 1.760 4.056 28.494 20.577 1.385 possible 1120 144 L TYR CZ 2 C3H0b 0.770 1.610 3.377 10.971 9.888 1.110 possible 1121 144 L TYR OH 17 O2H1u 0.660 1.460 28.181 -1.000 18.541 -1.000 bad 1122 145 L ALA N 12 N3H1s 0.700 1.640 2.428 13.483 13.872 0.972 [OK] 1123 145 L ALA CA 4 C4H1b 0.770 1.880 2.818 13.910 13.959 0.997 [OK] 1124 145 L ALA C 1 C3H0s 0.770 1.610 2.358 8.297 8.858 0.937 [OK] 1125 145 L ALA O 16 O1H0u 0.660 1.420 3.986 23.833 16.026 1.487 possible 1126 145 L ALA CB 10 C4H3u 0.770 1.880 3.137 33.276 36.551 0.910 possible 1127 146 L PHE N 12 N3H1s 0.700 1.640 2.764 15.277 13.524 1.130 [OK] 1128 146 L PHE CA 3 C4H1s 0.770 1.880 2.442 10.742 13.371 0.803 [OK] 1129 146 L PHE C 1 C3H0s 0.770 1.610 2.475 9.175 8.697 1.055 [OK] 1130 146 L PHE O 16 O1H0u 0.660 1.420 2.348 18.783 15.961 1.177 [OK] 1131 146 L PHE CB 8 C4H2s 0.770 1.880 3.174 23.922 23.623 1.013 possible 1132 146 L PHE CG 2 C3H0b 0.770 1.610 2.484 9.661 9.684 0.998 [OK] 1133 146 L PHE CD1 5 C3H1s 0.770 1.760 2.855 20.972 20.325 1.032 [OK] 1134 146 L PHE CD2 6 C3H1b 0.770 1.760 2.956 24.326 20.948 1.161 [OK] 1135 146 L PHE CE1 6 C3H1b 0.770 1.760 2.937 17.533 21.532 0.814 [OK] 1136 146 L PHE CE2 6 C3H1b 0.770 1.760 2.916 23.659 21.625 1.094 [OK] 1137 146 L PHE CZ 6 C3H1b 0.770 1.760 2.941 21.994 21.555 1.020 [OK] 1138 147 L PRO N 11 N3H0u 0.700 1.640 2.763 9.096 8.650 1.052 [OK] 1139 147 L PRO CA 4 C4H1b 0.770 1.880 2.545 13.787 13.828 0.997 [OK] 1140 147 L PRO C 1 C3H0s 0.770 1.610 2.713 9.636 8.768 1.099 [OK] 1141 147 L PRO O 16 O1H0u 0.660 1.420 2.595 17.847 15.856 1.126 [OK] 1142 147 L PRO CB 9 C4H2b 0.770 1.880 3.394 26.474 25.314 1.046 possible 1143 147 L PRO CG 9 C4H2b 0.770 1.880 4.297 33.463 25.480 1.313 possible 1144 147 L PRO CD 8 C4H2s 0.770 1.880 4.110 26.132 23.390 1.117 possible 1145 148 L TYR N 12 N3H1s 0.700 1.640 2.726 14.519 13.473 1.078 [OK] 1146 148 L TYR CA 3 C4H1s 0.770 1.880 2.948 13.572 13.249 1.024 [OK] 1147 148 L TYR C 1 C3H0s 0.770 1.610 2.638 9.980 8.714 1.145 [OK] 1148 148 L TYR O 16 O1H0u 0.660 1.420 2.541 16.857 15.901 1.060 [OK] 1149 148 L TYR CB 8 C4H2s 0.770 1.880 3.189 26.890 23.426 1.148 possible 1150 148 L TYR CG 2 C3H0b 0.770 1.610 2.467 9.661 9.695 0.997 [OK] 1151 148 L TYR CD1 5 C3H1s 0.770 1.760 2.969 20.610 20.057 1.028 [OK] 1152 148 L TYR CD2 5 C3H1s 0.770 1.760 3.077 21.961 20.578 1.067 possible 1153 148 L TYR CE1 5 C3H1s 0.770 1.760 2.741 22.181 20.534 1.080 [OK] 1154 148 L TYR CE2 5 C3H1s 0.770 1.760 2.884 19.464 20.577 0.946 [OK] 1155 148 L TYR CZ 2 C3H0b 0.770 1.610 2.404 8.948 9.888 0.905 [OK] 1156 148 L TYR OH 17 O2H1u 0.660 1.460 2.516 16.649 18.541 0.898 [OK] 1157 149 L GLY N 12 N3H1s 0.700 1.640 2.641 16.207 14.480 1.119 [OK] 1158 149 L GLY CA 8 C4H2s 0.770 1.880 2.854 23.792 23.470 1.014 [OK] 1159 149 L GLY C 2 C3H0b 0.770 1.610 2.460 9.642 9.652 0.999 [OK] 1160 149 L GLY O 16 O1H0u 0.660 1.420 2.332 14.728 16.154 0.912 [OK] 1161 150 L ILE N 12 N3H1s 0.700 1.640 2.876 18.389 13.493 1.363 [OK] 1162 150 L ILE CA 3 C4H1s 0.770 1.880 2.884 13.616 12.946 1.052 [OK] 1163 150 L ILE C 1 C3H0s 0.770 1.610 2.285 7.587 8.445 0.898 [OK] 1164 150 L ILE O 16 O1H0u 0.660 1.420 2.465 16.450 15.930 1.033 [OK] 1165 150 L ILE CB 4 C4H1b 0.770 1.880 2.926 15.784 14.146 1.116 [OK] 1166 150 L ILE CG1 9 C4H2b 0.770 1.880 4.293 31.752 24.071 1.319 possible 1167 150 L ILE CG2 10 C4H3u 0.770 1.880 4.218 49.841 35.763 1.394 possible 1168 150 L ILE CD1 10 C4H3u 0.770 1.880 3.826 48.578 38.219 1.271 possible 1169 151 L TRP N 12 N3H1s 0.700 1.640 2.429 12.186 13.639 0.893 [OK] 1170 151 L TRP CA 3 C4H1s 0.770 1.880 2.681 13.285 13.323 0.997 [OK] 1171 151 L TRP C 1 C3H0s 0.770 1.610 2.974 9.369 8.687 1.079 [OK] 1172 151 L TRP O 16 O1H0u 0.660 1.420 2.935 16.932 15.797 1.072 [OK] 1173 151 L TRP CB 8 C4H2s 0.770 1.880 5.859 56.913 23.826 2.389 possible 1174 151 L TRP CG 2 C3H0b 0.770 1.610 5.083 15.100 9.915 1.523 possible 1175 151 L TRP CD1 5 C3H1s 0.770 1.760 5.615 32.096 20.597 1.558 possible 1176 151 L TRP CD2 2 C3H0b 0.770 1.610 4.548 14.365 10.068 1.427 possible 1177 151 L TRP NE1 13 N3H1b 0.700 1.640 5.124 22.082 16.723 1.320 possible 1178 151 L TRP CE2 2 C3H0b 0.770 1.610 4.958 16.444 9.848 1.670 possible 1179 151 L TRP CE3 6 C3H1b 0.770 1.760 3.562 29.396 20.383 1.442 possible 1180 151 L TRP CZ2 6 C3H1b 0.770 1.760 4.614 51.019 20.931 2.437 possible 1181 151 L TRP CZ3 6 C3H1b 0.770 1.760 3.441 25.136 21.429 1.173 possible 1182 151 L TRP CH2 6 C3H1b 0.770 1.760 4.199 46.963 21.219 2.213 possible 1183 152 L THR N 12 N3H1s 0.700 1.640 3.449 14.508 13.544 1.071 possible 1184 152 L THR CA 3 C4H1s 0.770 1.880 3.610 16.806 13.025 1.290 possible 1185 152 L THR C 1 C3H0s 0.770 1.610 2.119 8.153 8.685 0.939 [OK] 1186 152 L THR O 16 O1H0u 0.660 1.420 3.592 19.038 15.795 1.205 possible 1187 152 L THR CB 4 C4H1b 0.770 1.880 3.643 17.419 14.687 1.186 possible 1188 152 L THR OG1 17 O2H1u 0.660 1.460 2.489 17.416 17.610 0.989 [OK] 1189 152 L THR CG2 10 C4H3u 0.770 1.880 5.873 60.110 36.265 1.658 possible 1190 153 L HIS N 12 N3H1s 0.700 1.640 2.435 12.892 13.532 0.953 [OK] 1191 153 L HIS CA 3 C4H1s 0.770 1.880 2.812 14.109 13.335 1.058 [OK] 1192 153 L HIS C 1 C3H0s 0.770 1.610 2.722 8.699 8.760 0.993 [OK] 1193 153 L HIS O 16 O1H0u 0.660 1.420 2.588 17.618 15.855 1.111 [OK] 1194 153 L HIS CB 8 C4H2s 0.770 1.880 3.064 25.716 23.443 1.097 possible 1195 153 L HIS CG 2 C3H0b 0.770 1.610 2.518 9.862 9.870 0.999 [OK] 1196 153 L HIS ND1 13 N3H1b 0.700 1.640 2.404 14.472 15.483 0.935 [OK] 1197 153 L HIS CD2 5 C3H1s 0.770 1.760 2.875 23.079 20.938 1.102 [OK] 1198 153 L HIS CE1 5 C3H1s 0.770 1.760 2.806 20.411 20.491 0.996 [OK] 1199 153 L HIS NE2 13 N3H1b 0.700 1.640 2.508 11.874 15.758 0.754 [OK] 1200 154 L LEU N 12 N3H1s 0.700 1.640 2.492 12.351 13.517 0.914 [OK] 1201 154 L LEU CA 3 C4H1s 0.770 1.880 3.097 14.210 13.055 1.088 possible 1202 154 L LEU C 1 C3H0s 0.770 1.610 2.903 8.823 8.781 1.005 [OK] 1203 154 L LEU O 16 O1H0u 0.660 1.420 2.871 16.343 15.957 1.024 [OK] 1204 154 L LEU CB 8 C4H2s 0.770 1.880 3.711 27.737 22.818 1.216 possible 1205 154 L LEU CG 4 C4H1b 0.770 1.880 2.766 14.805 14.704 1.007 [OK] 1206 154 L LEU CD1 10 C4H3u 0.770 1.880 3.513 39.147 37.235 1.051 possible 1207 154 L LEU CD2 10 C4H3u 0.770 1.880 3.057 28.664 37.020 0.774 possible 1208 155 L ASP N 12 N3H1s 0.700 1.640 2.434 12.145 13.654 0.890 [OK] 1209 155 L ASP CA 3 C4H1s 0.770 1.880 3.610 14.376 13.254 1.085 possible 1210 155 L ASP C 1 C3H0s 0.770 1.610 3.313 9.470 8.750 1.082 possible 1211 155 L ASP O 16 O1H0u 0.660 1.420 3.114 17.219 15.757 1.093 possible 1212 155 L ASP CB 8 C4H2s 0.770 1.880 5.286 44.134 23.022 1.917 possible 1213 155 L ASP CG 2 C3H0b 0.770 1.610 4.933 14.969 9.336 1.603 possible 1214 155 L ASP OD1 16 O1H0u 0.660 1.420 4.633 42.897 15.078 2.845 possible 1215 155 L ASP OD2 16 O1H0u 0.660 1.420 33.186 -1.000 15.582 -1.000 bad 1216 156 L TRP N 12 N3H1s 0.700 1.640 4.595 20.144 13.639 1.477 possible 1217 156 L TRP CA 3 C4H1s 0.770 1.880 5.441 27.198 13.323 2.041 possible 1218 156 L TRP C 1 C3H0s 0.770 1.610 1.909 7.364 8.687 0.848 [OK] 1219 156 L TRP O 16 O1H0u 0.660 1.420 3.203 14.631 15.797 0.926 possible 1220 156 L TRP CB 8 C4H2s 0.770 1.880 4.522 24.528 23.826 1.029 possible 1221 156 L TRP CG 2 C3H0b 0.770 1.610 2.614 8.825 9.915 0.890 [OK] 1222 156 L TRP CD1 5 C3H1s 0.770 1.760 6.284 59.196 20.597 2.874 possible 1223 156 L TRP CD2 2 C3H0b 0.770 1.610 2.283 8.802 10.068 0.874 [OK] 1224 156 L TRP NE1 13 N3H1b 0.700 1.640 4.370 21.879 16.723 1.308 possible 1225 156 L TRP CE2 2 C3H0b 0.770 1.610 2.858 9.246 9.848 0.939 [OK] 1226 156 L TRP CE3 6 C3H1b 0.770 1.760 2.970 17.829 20.383 0.875 [OK] 1227 156 L TRP CZ2 6 C3H1b 0.770 1.760 3.005 25.758 20.931 1.231 possible 1228 156 L TRP CZ3 6 C3H1b 0.770 1.760 2.772 22.062 21.429 1.030 [OK] 1229 156 L TRP CH2 6 C3H1b 0.770 1.760 2.947 21.667 21.219 1.021 [OK] 1230 157 L VAL N 12 N3H1s 0.700 1.640 2.249 11.934 13.553 0.881 [OK] 1231 157 L VAL CA 3 C4H1s 0.770 1.880 2.680 13.069 13.078 0.999 [OK] 1232 157 L VAL C 1 C3H0s 0.770 1.610 2.301 7.380 8.528 0.865 [OK] 1233 157 L VAL O 16 O1H0u 0.660 1.420 2.239 15.109 15.998 0.944 [OK] 1234 157 L VAL CB 4 C4H1b 0.770 1.880 3.093 14.461 14.514 0.996 possible 1235 157 L VAL CG1 10 C4H3u 0.770 1.880 3.338 34.812 36.320 0.958 possible 1236 157 L VAL CG2 10 C4H3u 0.770 1.880 3.285 37.915 36.173 1.048 possible 1237 158 L SER N 12 N3H1s 0.700 1.640 2.397 12.231 13.808 0.886 [OK] 1238 158 L SER CA 3 C4H1s 0.770 1.880 2.674 13.615 13.351 1.020 [OK] 1239 158 L SER C 1 C3H0s 0.770 1.610 2.250 8.392 8.858 0.947 [OK] 1240 158 L SER O 16 O1H0u 0.660 1.420 2.669 15.624 15.860 0.985 [OK] 1241 158 L SER CB 8 C4H2s 0.770 1.880 3.570 29.111 23.599 1.234 possible 1242 158 L SER OG 17 O2H1u 0.660 1.460 5.158 40.303 18.021 2.236 possible 1243 159 L ASN N 12 N3H1s 0.700 1.640 2.413 12.387 13.525 0.916 [OK] 1244 159 L ASN CA 3 C4H1s 0.770 1.880 3.989 14.073 13.052 1.078 possible 1245 159 L ASN C 1 C3H0s 0.770 1.610 3.226 9.410 8.853 1.063 possible 1246 159 L ASN O 16 O1H0u 0.660 1.420 4.653 17.453 15.857 1.101 possible 1247 159 L ASN CB 8 C4H2s 0.770 1.880 25.655 -1.000 22.756 -1.000 bad 1248 159 L ASN CG 2 C3H0b 0.770 1.610 2.416 -1.000 9.537 -1.000 bad 1249 159 L ASN OD1 16 O1H0u 0.660 1.420 31.381 -1.000 16.247 -1.000 bad 1250 159 L ASN ND2 15 N3H2u 0.700 1.640 35.629 -1.000 22.525 -1.000 bad 1251 160 L THR N 12 N3H1s 0.700 1.640 4.880 18.850 13.544 1.392 possible 1252 160 L THR CA 3 C4H1s 0.770 1.880 4.527 19.642 13.025 1.508 possible 1253 160 L THR C 1 C3H0s 0.770 1.610 2.356 7.449 8.685 0.858 [OK] 1254 160 L THR O 16 O1H0u 0.660 1.420 2.514 15.917 15.795 1.008 [OK] 1255 160 L THR CB 4 C4H1b 0.770 1.880 2.699 13.314 14.687 0.906 [OK] 1256 160 L THR OG1 17 O2H1u 0.660 1.460 5.231 40.229 17.610 2.284 possible 1257 160 L THR CG2 10 C4H3u 0.770 1.880 4.174 42.643 36.265 1.176 possible 1258 161 L GLY N 12 N3H1s 0.700 1.640 2.439 12.357 14.480 0.853 [OK] 1259 161 L GLY CA 8 C4H2s 0.770 1.880 2.848 25.317 23.470 1.079 [OK] 1260 161 L GLY C 2 C3H0b 0.770 1.610 2.245 7.682 9.652 0.796 [OK] 1261 161 L GLY O 16 O1H0u 0.660 1.420 2.647 16.509 16.154 1.022 [OK] 1262 162 L TYR N 12 N3H1s 0.700 1.640 2.454 11.867 13.473 0.881 [OK] 1263 162 L TYR CA 3 C4H1s 0.770 1.880 2.421 11.203 13.249 0.846 [OK] 1264 162 L TYR C 1 C3H0s 0.770 1.610 6.173 13.018 8.714 1.494 possible 1265 162 L TYR O 16 O1H0u 0.660 1.420 14.805 -1.000 15.901 -1.000 bad 1266 162 L TYR CB 8 C4H2s 0.770 1.880 19.365 -1.000 23.426 -1.000 bad 1267 162 L TYR CG 2 C3H0b 0.770 1.610 6.069 16.619 9.695 1.714 possible 1268 162 L TYR CD1 5 C3H1s 0.770 1.760 11.076 -1.000 20.057 -1.000 bad 1269 162 L TYR CD2 5 C3H1s 0.770 1.760 6.075 37.765 20.578 1.835 possible 1270 162 L TYR CE1 5 C3H1s 0.770 1.760 6.101 37.497 20.534 1.826 possible 1271 162 L TYR CE2 5 C3H1s 0.770 1.760 4.387 26.949 20.577 1.310 possible 1272 162 L TYR CZ 2 C3H0b 0.770 1.610 3.667 12.316 9.888 1.246 possible 1273 162 L TYR OH 17 O2H1u 0.660 1.460 2.635 17.157 18.541 0.925 [OK] 1274 163 L THR N 12 N3H1s 0.700 1.640 5.112 15.254 13.544 1.126 possible 1275 163 L THR CA 3 C4H1s 0.770 1.880 11.042 -1.000 13.025 -1.000 bad 1276 163 L THR C 1 C3H0s 0.770 1.610 2.539 8.335 8.685 0.960 [OK] 1277 163 L THR O 16 O1H0u 0.660 1.420 10.055 -1.000 15.795 -1.000 bad 1278 163 L THR CB 4 C4H1b 0.770 1.880 3.082 13.304 14.687 0.906 possible 1279 163 L THR OG1 17 O2H1u 0.660 1.460 21.724 -1.000 17.610 -1.000 bad 1280 163 L THR CG2 10 C4H3u 0.770 1.880 25.990 -1.000 36.265 -1.000 bad 1281 164 L TYR N 12 N3H1s 0.700 1.640 2.364 11.680 13.473 0.867 [OK] 1282 164 L TYR CA 3 C4H1s 0.770 1.880 2.972 13.274 13.249 1.002 [OK] 1283 164 L TYR C 1 C3H0s 0.770 1.610 2.827 9.908 8.714 1.137 [OK] 1284 164 L TYR O 16 O1H0u 0.660 1.420 2.578 15.097 15.901 0.949 [OK] 1285 164 L TYR CB 8 C4H2s 0.770 1.880 3.003 22.964 23.426 0.980 possible 1286 164 L TYR CG 2 C3H0b 0.770 1.610 2.662 9.927 9.695 1.024 [OK] 1287 164 L TYR CD1 5 C3H1s 0.770 1.760 3.098 23.782 20.057 1.186 possible 1288 164 L TYR CD2 5 C3H1s 0.770 1.760 2.729 18.032 20.578 0.876 [OK] 1289 164 L TYR CE1 5 C3H1s 0.770 1.760 2.988 22.982 20.534 1.119 [OK] 1290 164 L TYR CE2 5 C3H1s 0.770 1.760 3.611 21.989 20.577 1.069 possible 1291 164 L TYR CZ 2 C3H0b 0.770 1.610 2.578 9.397 9.888 0.950 [OK] 1292 164 L TYR OH 17 O2H1u 0.660 1.460 4.054 37.472 18.541 2.021 possible 1293 165 L GLY N 12 N3H1s 0.700 1.640 3.140 14.530 14.480 1.003 possible 1294 165 L GLY CA 8 C4H2s 0.770 1.880 7.011 47.453 23.470 2.022 possible 1295 165 L GLY C 2 C3H0b 0.770 1.610 5.123 13.452 9.652 1.394 possible 1296 165 L GLY O 16 O1H0u 0.660 1.420 3.115 16.838 16.154 1.042 possible 1297 166 L ASN N 12 N3H1s 0.700 1.640 6.146 40.091 13.525 2.964 possible 1298 166 L ASN CA 3 C4H1s 0.770 1.880 3.326 15.564 13.052 1.192 possible 1299 166 L ASN C 1 C3H0s 0.770 1.610 2.847 8.443 8.853 0.954 [OK] 1300 166 L ASN O 16 O1H0u 0.660 1.420 2.698 17.476 15.857 1.102 [OK] 1301 166 L ASN CB 8 C4H2s 0.770 1.880 4.241 33.986 22.756 1.494 possible 1302 166 L ASN CG 2 C3H0b 0.770 1.610 2.664 10.382 9.537 1.089 [OK] 1303 166 L ASN OD1 16 O1H0u 0.660 1.420 2.731 16.256 16.247 1.001 [OK] 1304 166 L ASN ND2 15 N3H2u 0.700 1.640 2.674 23.103 22.525 1.026 [OK] 1305 167 L PHE N 12 N3H1s 0.700 1.640 2.928 13.171 13.524 0.974 [OK] 1306 167 L PHE CA 3 C4H1s 0.770 1.880 3.211 15.468 13.371 1.157 possible 1307 167 L PHE C 1 C3H0s 0.770 1.610 2.502 9.083 8.697 1.044 [OK] 1308 167 L PHE O 16 O1H0u 0.660 1.420 2.344 15.898 15.961 0.996 [OK] 1309 167 L PHE CB 8 C4H2s 0.770 1.880 2.845 20.865 23.623 0.883 [OK] 1310 167 L PHE CG 2 C3H0b 0.770 1.610 2.542 9.449 9.684 0.976 [OK] 1311 167 L PHE CD1 5 C3H1s 0.770 1.760 3.057 21.782 20.325 1.072 possible 1312 167 L PHE CD2 6 C3H1b 0.770 1.760 2.616 18.125 20.948 0.865 [OK] 1313 167 L PHE CE1 6 C3H1b 0.770 1.760 2.832 22.981 21.532 1.067 [OK] 1314 167 L PHE CE2 6 C3H1b 0.770 1.760 2.817 21.566 21.625 0.997 [OK] 1315 167 L PHE CZ 6 C3H1b 0.770 1.760 2.843 20.541 21.555 0.953 [OK] 1316 168 L HIS N 12 N3H1s 0.700 1.640 2.452 12.812 13.532 0.947 [OK] 1317 168 L HIS CA 3 C4H1s 0.770 1.880 2.493 11.827 13.335 0.887 [OK] 1318 168 L HIS C 1 C3H0s 0.770 1.610 2.527 8.063 8.760 0.920 [OK] 1319 168 L HIS O 16 O1H0u 0.660 1.420 2.628 16.078 15.855 1.014 [OK] 1320 168 L HIS CB 8 C4H2s 0.770 1.880 2.881 22.773 23.443 0.971 [OK] 1321 168 L HIS CG 2 C3H0b 0.770 1.610 2.569 9.556 9.870 0.968 [OK] 1322 168 L HIS ND1 13 N3H1b 0.700 1.640 2.446 14.171 15.483 0.915 [OK] 1323 168 L HIS CD2 5 C3H1s 0.770 1.760 2.687 18.922 20.938 0.904 [OK] 1324 168 L HIS CE1 5 C3H1s 0.770 1.760 2.855 20.922 20.491 1.021 [OK] 1325 168 L HIS NE2 13 N3H1b 0.700 1.640 2.670 16.973 15.758 1.077 [OK] 1326 169 L TYR N 12 N3H1s 0.700 1.640 2.649 13.528 13.473 1.004 [OK] 1327 169 L TYR CA 3 C4H1s 0.770 1.880 2.824 12.224 13.249 0.923 [OK] 1328 169 L TYR C 1 C3H0s 0.770 1.610 2.364 8.982 8.714 1.031 [OK] 1329 169 L TYR O 16 O1H0u 0.660 1.420 2.503 16.428 15.901 1.033 [OK] 1330 169 L TYR CB 8 C4H2s 0.770 1.880 2.628 19.483 23.426 0.832 [OK] 1331 169 L TYR CG 2 C3H0b 0.770 1.610 2.580 8.908 9.695 0.919 [OK] 1332 169 L TYR CD1 5 C3H1s 0.770 1.760 3.275 21.805 20.057 1.087 possible 1333 169 L TYR CD2 5 C3H1s 0.770 1.760 2.863 17.721 20.578 0.861 [OK] 1334 169 L TYR CE1 5 C3H1s 0.770 1.760 4.135 29.751 20.534 1.449 possible 1335 169 L TYR CE2 5 C3H1s 0.770 1.760 3.323 20.122 20.577 0.978 possible 1336 169 L TYR CZ 2 C3H0b 0.770 1.610 3.033 11.211 9.888 1.134 possible 1337 169 L TYR OH 17 O2H1u 0.660 1.460 4.518 36.356 18.541 1.961 possible 1338 170 L ASN N 12 N3H1s 0.700 1.640 2.575 13.239 13.525 0.979 [OK] 1339 170 L ASN CA 3 C4H1s 0.770 1.880 2.522 11.749 13.052 0.900 [OK] 1340 170 L ASN C 1 C3H0s 0.770 1.610 2.490 7.606 8.853 0.859 [OK] 1341 170 L ASN O 16 O1H0u 0.660 1.420 2.344 13.790 15.857 0.870 [OK] 1342 170 L ASN CB 8 C4H2s 0.770 1.880 2.726 21.005 22.756 0.923 [OK] 1343 170 L ASN CG 2 C3H0b 0.770 1.610 2.302 9.320 9.537 0.977 [OK] 1344 170 L ASN OD1 16 O1H0u 0.660 1.420 2.455 16.465 16.247 1.013 [OK] 1345 170 L ASN ND2 15 N3H2u 0.700 1.640 2.570 22.513 22.525 0.999 [OK] 1346 171 L PRO N 11 N3H0u 0.700 1.640 2.529 8.025 8.650 0.928 [OK] 1347 171 L PRO CA 4 C4H1b 0.770 1.880 3.465 15.119 13.828 1.093 possible 1348 171 L PRO C 1 C3H0s 0.770 1.610 2.869 9.097 8.768 1.038 [OK] 1349 171 L PRO O 16 O1H0u 0.660 1.420 3.806 19.825 15.856 1.250 possible 1350 171 L PRO CB 9 C4H2b 0.770 1.880 5.395 46.676 25.314 1.844 possible 1351 171 L PRO CG 9 C4H2b 0.770 1.880 3.352 30.857 25.480 1.211 possible 1352 171 L PRO CD 8 C4H2s 0.770 1.880 2.826 22.009 23.390 0.941 [OK] 1353 172 L ALA N 12 N3H1s 0.700 1.640 2.875 15.360 13.872 1.107 [OK] 1354 172 L ALA CA 4 C4H1b 0.770 1.880 3.123 15.085 13.959 1.081 possible 1355 172 L ALA C 1 C3H0s 0.770 1.610 2.315 8.240 8.858 0.930 [OK] 1356 172 L ALA O 16 O1H0u 0.660 1.420 2.459 15.938 16.026 0.994 [OK] 1357 172 L ALA CB 10 C4H3u 0.770 1.880 3.104 39.412 36.551 1.078 possible 1358 173 L HIS N 12 N3H1s 0.700 1.640 2.242 12.014 13.532 0.888 [OK] 1359 173 L HIS CA 3 C4H1s 0.770 1.880 3.092 15.935 13.335 1.195 possible 1360 173 L HIS C 1 C3H0s 0.770 1.610 2.278 8.294 8.760 0.947 [OK] 1361 173 L HIS O 16 O1H0u 0.660 1.420 2.454 15.689 15.855 0.990 [OK] 1362 173 L HIS CB 8 C4H2s 0.770 1.880 2.792 21.601 23.443 0.921 [OK] 1363 173 L HIS CG 2 C3H0b 0.770 1.610 2.629 10.769 9.870 1.091 [OK] 1364 173 L HIS ND1 13 N3H1b 0.700 1.640 2.566 14.215 15.483 0.918 [OK] 1365 173 L HIS CD2 5 C3H1s 0.770 1.760 2.971 22.902 20.938 1.094 [OK] 1366 173 L HIS CE1 5 C3H1s 0.770 1.760 2.734 20.355 20.491 0.993 [OK] 1367 173 L HIS NE2 13 N3H1b 0.700 1.640 2.566 12.100 15.758 0.768 [OK] 1368 174 L MET N 12 N3H1s 0.700 1.640 2.507 12.742 13.405 0.951 [OK] 1369 174 L MET CA 3 C4H1s 0.770 1.880 2.599 13.857 13.194 1.050 [OK] 1370 174 L MET C 1 C3H0s 0.770 1.610 3.634 8.970 8.756 1.024 possible 1371 174 L MET O 16 O1H0u 0.660 1.420 3.465 19.085 16.002 1.193 possible 1372 174 L MET CB 8 C4H2s 0.770 1.880 4.843 30.693 23.418 1.311 possible 1373 174 L MET CG 9 C4H2b 0.770 1.880 3.000 22.659 23.830 0.951 [OK] 1374 174 L MET SD 19 S2H0u 1.040 1.770 5.630 51.487 30.207 1.704 possible 1375 174 L MET CE 10 C4H3u 0.770 1.880 3.061 34.446 37.003 0.931 possible 1376 175 L ILE N 12 N3H1s 0.700 1.640 3.636 14.518 13.493 1.076 possible 1377 175 L ILE CA 3 C4H1s 0.770 1.880 3.893 16.509 12.946 1.275 possible 1378 175 L ILE C 1 C3H0s 0.770 1.610 2.499 7.749 8.445 0.918 [OK] 1379 175 L ILE O 16 O1H0u 0.660 1.420 2.418 15.601 15.930 0.979 [OK] 1380 175 L ILE CB 4 C4H1b 0.770 1.880 2.657 13.372 14.146 0.945 [OK] 1381 175 L ILE CG1 9 C4H2b 0.770 1.880 3.662 29.153 24.071 1.211 possible 1382 175 L ILE CG2 10 C4H3u 0.770 1.880 2.928 29.800 35.763 0.833 [OK] 1383 175 L ILE CD1 10 C4H3u 0.770 1.880 26.855 -1.000 38.219 -1.000 bad 1384 176 L ALA N 12 N3H1s 0.700 1.640 2.533 12.668 13.872 0.913 [OK] 1385 176 L ALA CA 4 C4H1b 0.770 1.880 2.869 14.671 13.959 1.051 [OK] 1386 176 L ALA C 1 C3H0s 0.770 1.610 2.385 8.609 8.858 0.972 [OK] 1387 176 L ALA O 16 O1H0u 0.660 1.420 2.315 15.695 16.026 0.979 [OK] 1388 176 L ALA CB 10 C4H3u 0.770 1.880 3.113 33.936 36.551 0.928 possible 1389 177 L ILE N 12 N3H1s 0.700 1.640 2.450 12.878 13.493 0.954 [OK] 1390 177 L ILE CA 3 C4H1s 0.770 1.880 3.089 14.819 12.946 1.145 possible 1391 177 L ILE C 1 C3H0s 0.770 1.610 2.686 8.054 8.445 0.954 [OK] 1392 177 L ILE O 16 O1H0u 0.660 1.420 2.513 14.633 15.930 0.919 [OK] 1393 177 L ILE CB 4 C4H1b 0.770 1.880 2.711 14.422 14.146 1.019 [OK] 1394 177 L ILE CG1 9 C4H2b 0.770 1.880 2.899 21.872 24.071 0.909 [OK] 1395 177 L ILE CG2 10 C4H3u 0.770 1.880 3.182 31.949 35.763 0.893 possible 1396 177 L ILE CD1 10 C4H3u 0.770 1.880 2.928 28.859 38.219 0.755 [OK] 1397 178 L SER N 12 N3H1s 0.700 1.640 2.995 14.369 13.808 1.041 [OK] 1398 178 L SER CA 3 C4H1s 0.770 1.880 3.186 13.350 13.351 1.000 possible 1399 178 L SER C 1 C3H0s 0.770 1.610 2.460 8.729 8.858 0.985 [OK] 1400 178 L SER O 16 O1H0u 0.660 1.420 2.566 15.365 15.860 0.969 [OK] 1401 178 L SER CB 8 C4H2s 0.770 1.880 3.218 25.718 23.599 1.090 possible 1402 178 L SER OG 17 O2H1u 0.660 1.460 4.091 34.376 18.021 1.908 possible 1403 179 L PHE N 12 N3H1s 0.700 1.640 2.594 14.415 13.524 1.066 [OK] 1404 179 L PHE CA 3 C4H1s 0.770 1.880 2.828 13.387 13.371 1.001 [OK] 1405 179 L PHE C 1 C3H0s 0.770 1.610 2.873 9.533 8.697 1.096 [OK] 1406 179 L PHE O 16 O1H0u 0.660 1.420 2.673 14.007 15.961 0.878 [OK] 1407 179 L PHE CB 8 C4H2s 0.770 1.880 2.964 21.747 23.623 0.921 [OK] 1408 179 L PHE CG 2 C3H0b 0.770 1.610 2.544 9.533 9.684 0.984 [OK] 1409 179 L PHE CD1 5 C3H1s 0.770 1.760 2.700 19.923 20.325 0.980 [OK] 1410 179 L PHE CD2 6 C3H1b 0.770 1.760 2.743 21.143 20.948 1.009 [OK] 1411 179 L PHE CE1 6 C3H1b 0.770 1.760 5.039 31.400 21.532 1.458 possible 1412 179 L PHE CE2 6 C3H1b 0.770 1.760 2.921 19.445 21.625 0.899 [OK] 1413 179 L PHE CZ 6 C3H1b 0.770 1.760 5.451 46.691 21.555 2.166 possible 1414 180 L PHE N 12 N3H1s 0.700 1.640 2.704 13.551 13.524 1.002 [OK] 1415 180 L PHE CA 3 C4H1s 0.770 1.880 3.281 15.229 13.371 1.139 possible 1416 180 L PHE C 1 C3H0s 0.770 1.610 2.485 8.384 8.697 0.964 [OK] 1417 180 L PHE O 16 O1H0u 0.660 1.420 2.399 15.899 15.961 0.996 [OK] 1418 180 L PHE CB 8 C4H2s 0.770 1.880 3.113 26.274 23.623 1.112 possible 1419 180 L PHE CG 2 C3H0b 0.770 1.610 3.123 11.599 9.684 1.198 possible 1420 180 L PHE CD1 5 C3H1s 0.770 1.760 3.155 25.006 20.325 1.230 possible 1421 180 L PHE CD2 6 C3H1b 0.770 1.760 2.971 19.424 20.948 0.927 [OK] 1422 180 L PHE CE1 6 C3H1b 0.770 1.760 3.360 26.691 21.532 1.240 possible 1423 180 L PHE CE2 6 C3H1b 0.770 1.760 2.935 18.361 21.625 0.849 [OK] 1424 180 L PHE CZ 6 C3H1b 0.770 1.760 3.200 23.042 21.555 1.069 possible 1425 181 L PHE N 12 N3H1s 0.700 1.640 2.383 12.212 13.524 0.903 [OK] 1426 181 L PHE CA 3 C4H1s 0.770 1.880 3.079 14.974 13.371 1.120 possible 1427 181 L PHE C 1 C3H0s 0.770 1.610 2.590 8.776 8.697 1.009 [OK] 1428 181 L PHE O 16 O1H0u 0.660 1.420 2.785 15.558 15.961 0.975 [OK] 1429 181 L PHE CB 8 C4H2s 0.770 1.880 2.951 21.788 23.623 0.922 [OK] 1430 181 L PHE CG 2 C3H0b 0.770 1.610 2.716 9.925 9.684 1.025 [OK] 1431 181 L PHE CD1 5 C3H1s 0.770 1.760 2.785 20.179 20.325 0.993 [OK] 1432 181 L PHE CD2 6 C3H1b 0.770 1.760 3.069 22.137 20.948 1.057 possible 1433 181 L PHE CE1 6 C3H1b 0.770 1.760 2.846 21.532 21.532 1.000 [OK] 1434 181 L PHE CE2 6 C3H1b 0.770 1.760 3.099 23.496 21.625 1.087 possible 1435 181 L PHE CZ 6 C3H1b 0.770 1.760 2.987 22.550 21.555 1.046 [OK] 1436 182 L THR N 12 N3H1s 0.700 1.640 2.358 11.607 13.544 0.857 [OK] 1437 182 L THR CA 3 C4H1s 0.770 1.880 3.029 15.313 13.025 1.176 possible 1438 182 L THR C 1 C3H0s 0.770 1.610 1.972 7.698 8.685 0.886 [OK] 1439 182 L THR O 16 O1H0u 0.660 1.420 2.766 15.659 15.795 0.991 [OK] 1440 182 L THR CB 4 C4H1b 0.770 1.880 2.900 13.966 14.687 0.951 [OK] 1441 182 L THR OG1 17 O2H1u 0.660 1.460 2.794 19.770 17.610 1.123 [OK] 1442 182 L THR CG2 10 C4H3u 0.770 1.880 3.303 35.251 36.265 0.972 possible 1443 183 L ASN N 12 N3H1s 0.700 1.640 2.643 11.974 13.525 0.885 [OK] 1444 183 L ASN CA 3 C4H1s 0.770 1.880 3.146 13.720 13.052 1.051 possible 1445 183 L ASN C 1 C3H0s 0.770 1.610 1.951 6.950 8.853 0.785 [OK] 1446 183 L ASN O 16 O1H0u 0.660 1.420 2.686 14.584 15.857 0.920 [OK] 1447 183 L ASN CB 8 C4H2s 0.770 1.880 3.281 27.244 22.756 1.197 possible 1448 183 L ASN CG 2 C3H0b 0.770 1.610 2.879 10.191 9.537 1.069 [OK] 1449 183 L ASN OD1 16 O1H0u 0.660 1.420 2.306 17.349 16.247 1.068 [OK] 1450 183 L ASN ND2 15 N3H2u 0.700 1.640 2.931 24.699 22.525 1.097 [OK] 1451 184 L ALA N 12 N3H1s 0.700 1.640 2.302 12.550 13.872 0.905 [OK] 1452 184 L ALA CA 4 C4H1b 0.770 1.880 2.793 14.821 13.959 1.062 [OK] 1453 184 L ALA C 1 C3H0s 0.770 1.610 2.880 8.990 8.858 1.015 [OK] 1454 184 L ALA O 16 O1H0u 0.660 1.420 2.693 14.967 16.026 0.934 [OK] 1455 184 L ALA CB 10 C4H3u 0.770 1.880 3.291 42.804 36.551 1.171 possible 1456 185 L LEU N 12 N3H1s 0.700 1.640 2.284 11.561 13.517 0.855 [OK] 1457 185 L LEU CA 3 C4H1s 0.770 1.880 2.696 12.958 13.055 0.993 [OK] 1458 185 L LEU C 1 C3H0s 0.770 1.610 2.323 7.554 8.781 0.860 [OK] 1459 185 L LEU O 16 O1H0u 0.660 1.420 2.270 13.547 15.957 0.849 [OK] 1460 185 L LEU CB 8 C4H2s 0.770 1.880 3.276 21.565 22.818 0.945 possible 1461 185 L LEU CG 4 C4H1b 0.770 1.880 2.995 15.022 14.704 1.022 [OK] 1462 185 L LEU CD1 10 C4H3u 0.770 1.880 3.397 54.458 37.235 1.463 possible 1463 185 L LEU CD2 10 C4H3u 0.770 1.880 3.145 30.375 37.020 0.821 possible 1464 186 L ALA N 12 N3H1s 0.700 1.640 3.041 13.918 13.872 1.003 possible 1465 186 L ALA CA 4 C4H1b 0.770 1.880 3.084 16.617 13.959 1.190 possible 1466 186 L ALA C 1 C3H0s 0.770 1.610 2.133 8.340 8.858 0.941 [OK] 1467 186 L ALA O 16 O1H0u 0.660 1.420 2.544 17.217 16.026 1.074 [OK] 1468 186 L ALA CB 10 C4H3u 0.770 1.880 3.290 44.320 36.551 1.213 possible 1469 187 L LEU N 12 N3H1s 0.700 1.640 2.332 11.731 13.517 0.868 [OK] 1470 187 L LEU CA 3 C4H1s 0.770 1.880 2.953 12.921 13.055 0.990 [OK] 1471 187 L LEU C 1 C3H0s 0.770 1.610 2.703 8.697 8.781 0.990 [OK] 1472 187 L LEU O 16 O1H0u 0.660 1.420 2.794 19.186 15.957 1.202 [OK] 1473 187 L LEU CB 8 C4H2s 0.770 1.880 2.797 21.640 22.818 0.948 [OK] 1474 187 L LEU CG 4 C4H1b 0.770 1.880 2.808 15.202 14.704 1.034 [OK] 1475 187 L LEU CD1 10 C4H3u 0.770 1.880 3.401 42.042 37.235 1.129 possible 1476 187 L LEU CD2 10 C4H3u 0.770 1.880 2.799 34.927 37.020 0.943 [OK] 1477 188 L ALA N 12 N3H1s 0.700 1.640 2.700 12.315 13.872 0.888 [OK] 1478 188 L ALA CA 4 C4H1b 0.770 1.880 3.295 17.339 13.959 1.242 possible 1479 188 L ALA C 1 C3H0s 0.770 1.610 2.654 8.880 8.858 1.003 [OK] 1480 188 L ALA O 16 O1H0u 0.660 1.420 2.616 18.246 16.026 1.139 [OK] 1481 188 L ALA CB 10 C4H3u 0.770 1.880 3.287 37.764 36.551 1.033 possible 1482 189 L LEU N 12 N3H1s 0.700 1.640 2.642 13.150 13.517 0.973 [OK] 1483 189 L LEU CA 3 C4H1s 0.770 1.880 3.050 13.616 13.055 1.043 possible 1484 189 L LEU C 1 C3H0s 0.770 1.610 2.408 8.455 8.781 0.963 [OK] 1485 189 L LEU O 16 O1H0u 0.660 1.420 2.897 16.469 15.957 1.032 [OK] 1486 189 L LEU CB 8 C4H2s 0.770 1.880 3.281 24.452 22.818 1.072 possible 1487 189 L LEU CG 4 C4H1b 0.770 1.880 2.611 12.831 14.704 0.873 [OK] 1488 189 L LEU CD1 10 C4H3u 0.770 1.880 3.224 35.318 37.235 0.949 possible 1489 189 L LEU CD2 10 C4H3u 0.770 1.880 3.451 38.534 37.020 1.041 possible 1490 190 L HIS N 12 N3H1s 0.700 1.640 2.748 14.428 13.532 1.066 [OK] 1491 190 L HIS CA 3 C4H1s 0.770 1.880 2.833 15.508 13.335 1.163 [OK] 1492 190 L HIS C 1 C3H0s 0.770 1.610 2.106 7.259 8.760 0.829 [OK] 1493 190 L HIS O 16 O1H0u 0.660 1.420 2.642 16.007 15.855 1.010 [OK] 1494 190 L HIS CB 8 C4H2s 0.770 1.880 3.182 24.762 23.443 1.056 possible 1495 190 L HIS CG 2 C3H0b 0.770 1.610 2.840 9.951 9.870 1.008 [OK] 1496 190 L HIS ND1 13 N3H1b 0.700 1.640 2.816 17.234 15.483 1.113 [OK] 1497 190 L HIS CD2 5 C3H1s 0.770 1.760 3.116 26.442 20.938 1.263 possible 1498 190 L HIS CE1 5 C3H1s 0.770 1.760 2.734 18.384 20.491 0.897 [OK] 1499 190 L HIS NE2 13 N3H1b 0.700 1.640 2.835 10.018 15.758 0.636 [OK] 1500 191 L GLY N 12 N3H1s 0.700 1.640 2.982 15.580 14.480 1.076 [OK] 1501 191 L GLY CA 8 C4H2s 0.770 1.880 2.996 27.217 23.470 1.160 [OK] 1502 191 L GLY C 2 C3H0b 0.770 1.610 2.514 9.321 9.652 0.966 [OK] 1503 191 L GLY O 16 O1H0u 0.660 1.420 2.461 17.600 16.154 1.090 [OK] 1504 192 L ALA N 12 N3H1s 0.700 1.640 2.507 12.729 13.872 0.918 [OK] 1505 192 L ALA CA 4 C4H1b 0.770 1.880 2.954 15.129 13.959 1.084 [OK] 1506 192 L ALA C 1 C3H0s 0.770 1.610 2.543 8.781 8.858 0.991 [OK] 1507 192 L ALA O 16 O1H0u 0.660 1.420 2.490 15.569 16.026 0.972 [OK] 1508 192 L ALA CB 10 C4H3u 0.770 1.880 3.136 35.641 36.551 0.975 possible 1509 193 L LEU N 12 N3H1s 0.700 1.640 2.802 12.869 13.517 0.952 [OK] 1510 193 L LEU CA 3 C4H1s 0.770 1.880 2.846 13.208 13.055 1.012 [OK] 1511 193 L LEU C 1 C3H0s 0.770 1.610 2.309 8.282 8.781 0.943 [OK] 1512 193 L LEU O 16 O1H0u 0.660 1.420 2.503 16.530 15.957 1.036 [OK] 1513 193 L LEU CB 8 C4H2s 0.770 1.880 3.156 25.508 22.818 1.118 possible 1514 193 L LEU CG 4 C4H1b 0.770 1.880 2.976 15.423 14.704 1.049 [OK] 1515 193 L LEU CD1 10 C4H3u 0.770 1.880 3.436 36.608 37.235 0.983 possible 1516 193 L LEU CD2 10 C4H3u 0.770 1.880 3.604 38.767 37.020 1.047 possible 1517 194 L VAL N 12 N3H1s 0.700 1.640 2.662 13.913 13.553 1.027 [OK] 1518 194 L VAL CA 3 C4H1s 0.770 1.880 2.864 14.010 13.078 1.071 [OK] 1519 194 L VAL C 1 C3H0s 0.770 1.610 2.594 7.676 8.528 0.900 [OK] 1520 194 L VAL O 16 O1H0u 0.660 1.420 2.550 14.275 15.998 0.892 [OK] 1521 194 L VAL CB 4 C4H1b 0.770 1.880 2.846 15.402 14.514 1.061 [OK] 1522 194 L VAL CG1 10 C4H3u 0.770 1.880 3.251 41.824 36.320 1.152 possible 1523 194 L VAL CG2 10 C4H3u 0.770 1.880 3.052 35.466 36.173 0.980 possible 1524 195 L LEU N 12 N3H1s 0.700 1.640 2.738 13.999 13.517 1.036 [OK] 1525 195 L LEU CA 3 C4H1s 0.770 1.880 3.129 13.372 13.055 1.024 possible 1526 195 L LEU C 1 C3H0s 0.770 1.610 2.148 7.745 8.781 0.882 [OK] 1527 195 L LEU O 16 O1H0u 0.660 1.420 2.301 13.473 15.957 0.844 [OK] 1528 195 L LEU CB 8 C4H2s 0.770 1.880 2.840 19.617 22.818 0.860 [OK] 1529 195 L LEU CG 4 C4H1b 0.770 1.880 2.938 14.933 14.704 1.016 [OK] 1530 195 L LEU CD1 10 C4H3u 0.770 1.880 2.987 37.950 37.235 1.019 [OK] 1531 195 L LEU CD2 10 C4H3u 0.770 1.880 3.251 35.858 37.020 0.969 possible 1532 196 L SER N 12 N3H1s 0.700 1.640 2.256 12.109 13.808 0.877 [OK] 1533 196 L SER CA 3 C4H1s 0.770 1.880 2.485 12.153 13.351 0.910 [OK] 1534 196 L SER C 1 C3H0s 0.770 1.610 2.449 8.487 8.858 0.958 [OK] 1535 196 L SER O 16 O1H0u 0.660 1.420 2.435 16.942 15.860 1.068 [OK] 1536 196 L SER CB 8 C4H2s 0.770 1.880 2.726 20.055 23.599 0.850 [OK] 1537 196 L SER OG 17 O2H1u 0.660 1.460 2.483 16.598 18.021 0.921 [OK] 1538 197 L ALA N 12 N3H1s 0.700 1.640 2.552 13.411 13.872 0.967 [OK] 1539 197 L ALA CA 4 C4H1b 0.770 1.880 2.895 14.138 13.959 1.013 [OK] 1540 197 L ALA C 1 C3H0s 0.770 1.610 2.728 9.107 8.858 1.028 [OK] 1541 197 L ALA O 16 O1H0u 0.660 1.420 2.563 17.823 16.026 1.112 [OK] 1542 197 L ALA CB 10 C4H3u 0.770 1.880 2.989 38.186 36.551 1.045 [OK] 1543 198 L ALA N 12 N3H1s 0.700 1.640 2.588 13.053 13.872 0.941 [OK] 1544 198 L ALA CA 4 C4H1b 0.770 1.880 2.935 14.088 13.959 1.009 [OK] 1545 198 L ALA C 1 C3H0s 0.770 1.610 2.265 8.164 8.858 0.922 [OK] 1546 198 L ALA O 16 O1H0u 0.660 1.420 2.372 16.797 16.026 1.048 [OK] 1547 198 L ALA CB 10 C4H3u 0.770 1.880 3.168 38.797 36.551 1.061 possible 1548 199 L ASN N 12 N3H1s 0.700 1.640 2.304 11.500 13.525 0.850 [OK] 1549 199 L ASN CA 3 C4H1s 0.770 1.880 4.366 15.705 13.052 1.203 possible 1550 199 L ASN C 1 C3H0s 0.770 1.610 3.291 10.349 8.853 1.169 possible 1551 199 L ASN O 16 O1H0u 0.660 1.420 4.056 23.910 15.857 1.508 possible 1552 199 L ASN CB 8 C4H2s 0.770 1.880 5.607 35.198 22.756 1.547 possible 1553 199 L ASN CG 2 C3H0b 0.770 1.610 2.507 9.559 9.537 1.002 [OK] 1554 199 L ASN OD1 16 O1H0u 0.660 1.420 5.396 27.127 16.247 1.670 possible 1555 199 L ASN ND2 15 N3H2u 0.700 1.640 2.618 21.255 22.525 0.944 [OK] 1556 200 L PRO N 11 N3H0u 0.700 1.640 2.957 8.747 8.650 1.011 [OK] 1557 200 L PRO CA 4 C4H1b 0.770 1.880 2.663 14.034 13.828 1.015 [OK] 1558 200 L PRO C 1 C3H0s 0.770 1.610 2.924 10.213 8.768 1.165 [OK] 1559 200 L PRO O 16 O1H0u 0.660 1.420 4.892 48.912 15.856 3.085 possible 1560 200 L PRO CB 9 C4H2b 0.770 1.880 2.934 24.496 25.314 0.968 [OK] 1561 200 L PRO CG 9 C4H2b 0.770 1.880 4.054 29.278 25.480 1.149 possible 1562 200 L PRO CD 8 C4H2s 0.770 1.880 3.947 26.174 23.390 1.119 possible 1563 201 L GLU N 12 N3H1s 0.700 1.640 2.608 13.903 13.461 1.033 [OK] 1564 201 L GLU CA 3 C4H1s 0.770 1.880 4.149 17.041 13.284 1.283 possible 1565 201 L GLU C 1 C3H0s 0.770 1.610 3.758 9.623 8.631 1.115 possible 1566 201 L GLU O 16 O1H0u 0.660 1.420 6.403 91.304 15.765 5.792 possible 1567 201 L GLU CB 8 C4H2s 0.770 1.880 5.089 31.743 23.214 1.367 possible 1568 201 L GLU CG 8 C4H2s 0.770 1.880 3.764 22.698 23.304 0.974 possible 1569 201 L GLU CD 2 C3H0b 0.770 1.610 3.312 9.949 9.437 1.054 possible 1570 201 L GLU OE1 16 O1H0u 0.660 1.420 21.667 -1.000 15.497 -1.000 bad 1571 201 L GLU OE2 16 O1H0u 0.660 1.420 2.935 18.233 16.213 1.125 [OK] 1572 202 L LYS N 12 N3H1s 0.700 1.640 3.595 18.211 13.429 1.356 possible 1573 202 L LYS CA 3 C4H1s 0.770 1.880 5.213 24.247 13.217 1.835 possible 1574 202 L LYS C 1 C3H0s 0.770 1.610 2.589 7.194 8.696 0.827 [OK] 1575 202 L LYS O 16 O1H0u 0.660 1.420 18.511 -1.000 15.818 -1.000 bad 1576 202 L LYS CB 8 C4H2s 0.770 1.880 14.424 -1.000 22.578 -1.000 bad 1577 202 L LYS CG 8 C4H2s 0.770 1.880 17.945 -1.000 22.847 -1.000 bad 1578 202 L LYS CD 8 C4H2s 0.770 1.880 31.793 -1.000 23.365 -1.000 bad 1579 202 L LYS CE 9 C4H2b 0.770 1.880 40.396 -1.000 23.720 -1.000 bad 1580 202 L LYS NZ 14 N4H3u 0.700 1.640 56.927 -1.000 21.413 -1.000 bad 1581 203 L GLY N 12 N3H1s 0.700 1.640 6.822 49.833 14.480 3.441 possible 1582 203 L GLY CA 8 C4H2s 0.770 1.880 28.136 -1.000 23.470 -1.000 bad 1583 203 L GLY C 2 C3H0b 0.770 1.610 3.088 9.868 9.652 1.022 possible 1584 203 L GLY O 16 O1H0u 0.660 1.420 25.657 -1.000 16.154 -1.000 bad 1585 204 L LYS N 12 N3H1s 0.700 1.640 3.148 13.576 13.429 1.011 possible 1586 204 L LYS CA 3 C4H1s 0.770 1.880 3.962 17.225 13.217 1.303 possible 1587 204 L LYS C 1 C3H0s 0.770 1.610 2.674 9.587 8.696 1.102 [OK] 1588 204 L LYS O 16 O1H0u 0.660 1.420 3.707 25.810 15.818 1.632 possible 1589 204 L LYS CB 8 C4H2s 0.770 1.880 2.828 21.366 22.578 0.946 [OK] 1590 204 L LYS CG 8 C4H2s 0.770 1.880 3.458 23.208 22.847 1.016 possible 1591 204 L LYS CD 8 C4H2s 0.770 1.880 4.475 31.769 23.365 1.360 possible 1592 204 L LYS CE 9 C4H2b 0.770 1.880 20.601 -1.000 23.720 -1.000 bad 1593 204 L LYS NZ 14 N4H3u 0.700 1.640 32.756 -1.000 21.413 -1.000 bad 1594 205 L GLU N 12 N3H1s 0.700 1.640 3.235 15.951 13.461 1.185 possible 1595 205 L GLU CA 3 C4H1s 0.770 1.880 2.668 12.526 13.284 0.943 [OK] 1596 205 L GLU C 1 C3H0s 0.770 1.610 2.465 8.903 8.631 1.031 [OK] 1597 205 L GLU O 16 O1H0u 0.660 1.420 2.270 14.737 15.765 0.935 [OK] 1598 205 L GLU CB 8 C4H2s 0.770 1.880 3.235 25.497 23.214 1.098 possible 1599 205 L GLU CG 8 C4H2s 0.770 1.880 4.390 27.668 23.304 1.187 possible 1600 205 L GLU CD 2 C3H0b 0.770 1.610 3.999 10.971 9.437 1.163 possible 1601 205 L GLU OE1 16 O1H0u 0.660 1.420 26.705 -1.000 15.497 -1.000 bad 1602 205 L GLU OE2 16 O1H0u 0.660 1.420 20.725 -1.000 16.213 -1.000 bad 1603 206 L MET N 12 N3H1s 0.700 1.640 3.222 17.062 13.405 1.273 possible 1604 206 L MET CA 3 C4H1s 0.770 1.880 3.040 14.033 13.194 1.064 possible 1605 206 L MET C 1 C3H0s 0.770 1.610 2.142 7.547 8.756 0.862 [OK] 1606 206 L MET O 16 O1H0u 0.660 1.420 2.633 17.632 16.002 1.102 [OK] 1607 206 L MET CB 8 C4H2s 0.770 1.880 3.230 27.938 23.418 1.193 possible 1608 206 L MET CG 9 C4H2b 0.770 1.880 3.063 26.354 23.830 1.106 possible 1609 206 L MET SD 19 S2H0u 1.040 1.770 3.352 34.910 30.207 1.156 possible 1610 206 L MET CE 10 C4H3u 0.770 1.880 3.081 38.244 37.003 1.034 possible 1611 207 L ARG N 12 N3H1s 0.700 1.640 2.465 14.146 13.486 1.049 [OK] 1612 207 L ARG CA 3 C4H1s 0.770 1.880 2.704 12.878 13.310 0.968 [OK] 1613 207 L ARG C 1 C3H0s 0.770 1.610 2.447 9.307 8.779 1.060 [OK] 1614 207 L ARG O 16 O1H0u 0.660 1.420 2.597 18.966 15.916 1.192 [OK] 1615 207 L ARG CB 8 C4H2s 0.770 1.880 2.892 21.853 22.833 0.957 [OK] 1616 207 L ARG CG 8 C4H2s 0.770 1.880 2.889 21.735 23.273 0.934 [OK] 1617 207 L ARG CD 8 C4H2s 0.770 1.880 3.018 22.667 22.849 0.992 possible 1618 207 L ARG NE 13 N3H1b 0.700 1.640 2.611 14.391 15.019 0.958 [OK] 1619 207 L ARG CZ 2 C3H0b 0.770 1.610 2.630 10.378 9.678 1.072 [OK] 1620 207 L ARG NH1 15 N3H2u 0.700 1.640 3.107 23.793 22.056 1.079 possible 1621 207 L ARG NH2 15 N3H2u 0.700 1.640 3.692 30.126 23.132 1.302 possible 1622 208 L THR N 12 N3H1s 0.700 1.640 2.515 12.972 13.544 0.958 [OK] 1623 208 L THR CA 3 C4H1s 0.770 1.880 2.950 13.386 13.025 1.028 [OK] 1624 208 L THR C 1 C3H0s 0.770 1.610 2.420 8.451 8.685 0.973 [OK] 1625 208 L THR O 16 O1H0u 0.660 1.420 2.429 13.806 15.795 0.874 [OK] 1626 208 L THR CB 4 C4H1b 0.770 1.880 3.180 16.818 14.687 1.145 possible 1627 208 L THR OG1 17 O2H1u 0.660 1.460 2.437 15.708 17.610 0.892 [OK] 1628 208 L THR CG2 10 C4H3u 0.770 1.880 3.561 45.820 36.265 1.263 possible 1629 209 L PRO N 11 N3H0u 0.700 1.640 2.295 7.837 8.650 0.906 [OK] 1630 209 L PRO CA 4 C4H1b 0.770 1.880 2.849 13.050 13.828 0.944 [OK] 1631 209 L PRO C 1 C3H0s 0.770 1.610 3.049 8.964 8.768 1.022 possible 1632 209 L PRO O 16 O1H0u 0.660 1.420 2.721 17.176 15.856 1.083 [OK] 1633 209 L PRO CB 9 C4H2b 0.770 1.880 3.309 30.582 25.314 1.208 possible 1634 209 L PRO CG 9 C4H2b 0.770 1.880 2.926 24.750 25.480 0.971 [OK] 1635 209 L PRO CD 8 C4H2s 0.770 1.880 2.891 23.275 23.390 0.995 [OK] 1636 210 L ASP N 12 N3H1s 0.700 1.640 3.118 11.767 13.654 0.862 possible 1637 210 L ASP CA 3 C4H1s 0.770 1.880 3.351 16.491 13.254 1.244 possible 1638 210 L ASP C 1 C3H0s 0.770 1.610 2.239 7.759 8.750 0.887 [OK] 1639 210 L ASP O 16 O1H0u 0.660 1.420 2.754 15.186 15.757 0.964 [OK] 1640 210 L ASP CB 8 C4H2s 0.770 1.880 3.321 24.591 23.022 1.068 possible 1641 210 L ASP CG 2 C3H0b 0.770 1.610 2.749 9.647 9.336 1.033 [OK] 1642 210 L ASP OD1 16 O1H0u 0.660 1.420 2.886 18.632 15.078 1.236 [OK] 1643 210 L ASP OD2 16 O1H0u 0.660 1.420 2.520 18.617 15.582 1.195 [OK] 1644 211 L HIS N 12 N3H1s 0.700 1.640 2.422 11.666 13.532 0.862 [OK] 1645 211 L HIS CA 3 C4H1s 0.770 1.880 2.973 14.800 13.335 1.110 [OK] 1646 211 L HIS C 1 C3H0s 0.770 1.610 2.048 7.737 8.760 0.883 [OK] 1647 211 L HIS O 16 O1H0u 0.660 1.420 2.513 15.350 15.855 0.968 [OK] 1648 211 L HIS CB 8 C4H2s 0.770 1.880 2.923 22.108 23.443 0.943 [OK] 1649 211 L HIS CG 2 C3H0b 0.770 1.610 2.249 8.639 9.870 0.875 [OK] 1650 211 L HIS ND1 13 N3H1b 0.700 1.640 2.536 13.330 15.483 0.861 [OK] 1651 211 L HIS CD2 5 C3H1s 0.770 1.760 2.834 24.400 20.938 1.165 [OK] 1652 211 L HIS CE1 5 C3H1s 0.770 1.760 4.519 28.972 20.491 1.414 possible 1653 211 L HIS NE2 13 N3H1b 0.700 1.640 3.958 22.218 15.758 1.410 possible 1654 212 L GLU N 12 N3H1s 0.700 1.640 2.661 12.097 13.461 0.899 [OK] 1655 212 L GLU CA 3 C4H1s 0.770 1.880 2.856 14.066 13.284 1.059 [OK] 1656 212 L GLU C 1 C3H0s 0.770 1.610 2.918 8.906 8.631 1.032 [OK] 1657 212 L GLU O 16 O1H0u 0.660 1.420 2.478 17.733 15.765 1.125 [OK] 1658 212 L GLU CB 8 C4H2s 0.770 1.880 3.604 25.391 23.214 1.094 possible 1659 212 L GLU CG 8 C4H2s 0.770 1.880 3.023 24.993 23.304 1.072 possible 1660 212 L GLU CD 2 C3H0b 0.770 1.610 2.853 9.158 9.437 0.970 [OK] 1661 212 L GLU OE1 16 O1H0u 0.660 1.420 2.679 17.198 15.497 1.110 [OK] 1662 212 L GLU OE2 16 O1H0u 0.660 1.420 2.538 20.471 16.213 1.263 [OK] 1663 213 L ASP N 12 N3H1s 0.700 1.640 3.035 13.843 13.654 1.014 possible 1664 213 L ASP CA 3 C4H1s 0.770 1.880 2.909 14.413 13.254 1.087 [OK] 1665 213 L ASP C 1 C3H0s 0.770 1.610 3.034 8.733 8.750 0.998 possible 1666 213 L ASP O 16 O1H0u 0.660 1.420 2.477 16.159 15.757 1.026 [OK] 1667 213 L ASP CB 8 C4H2s 0.770 1.880 3.634 28.977 23.022 1.259 possible 1668 213 L ASP CG 2 C3H0b 0.770 1.610 2.739 10.564 9.336 1.131 [OK] 1669 213 L ASP OD1 16 O1H0u 0.660 1.420 3.076 24.318 15.078 1.613 possible 1670 213 L ASP OD2 16 O1H0u 0.660 1.420 2.967 30.719 15.582 1.971 [OK] 1671 214 L THR N 12 N3H1s 0.700 1.640 3.158 12.638 13.544 0.933 possible 1672 214 L THR CA 3 C4H1s 0.770 1.880 3.089 15.073 13.025 1.157 possible 1673 214 L THR C 1 C3H0s 0.770 1.610 2.501 8.200 8.685 0.944 [OK] 1674 214 L THR O 16 O1H0u 0.660 1.420 2.444 16.366 15.795 1.036 [OK] 1675 214 L THR CB 4 C4H1b 0.770 1.880 2.973 15.122 14.687 1.030 [OK] 1676 214 L THR OG1 17 O2H1u 0.660 1.460 3.140 22.479 17.610 1.276 possible 1677 214 L THR CG2 10 C4H3u 0.770 1.880 3.018 39.117 36.265 1.079 possible 1678 215 L PHE N 12 N3H1s 0.700 1.640 2.467 12.679 13.524 0.938 [OK] 1679 215 L PHE CA 3 C4H1s 0.770 1.880 3.186 14.482 13.371 1.083 possible 1680 215 L PHE C 1 C3H0s 0.770 1.610 2.168 7.881 8.697 0.906 [OK] 1681 215 L PHE O 16 O1H0u 0.660 1.420 2.699 16.620 15.961 1.041 [OK] 1682 215 L PHE CB 8 C4H2s 0.770 1.880 2.826 22.286 23.623 0.943 [OK] 1683 215 L PHE CG 2 C3H0b 0.770 1.610 2.588 9.924 9.684 1.025 [OK] 1684 215 L PHE CD1 5 C3H1s 0.770 1.760 3.068 22.500 20.325 1.107 possible 1685 215 L PHE CD2 6 C3H1b 0.770 1.760 2.660 17.259 20.948 0.824 [OK] 1686 215 L PHE CE1 6 C3H1b 0.770 1.760 2.907 20.445 21.532 0.950 [OK] 1687 215 L PHE CE2 6 C3H1b 0.770 1.760 2.979 22.899 21.625 1.059 [OK] 1688 215 L PHE CZ 6 C3H1b 0.770 1.760 2.776 24.369 21.555 1.131 [OK] 1689 216 L PHE N 12 N3H1s 0.700 1.640 2.523 13.999 13.524 1.035 [OK] 1690 216 L PHE CA 3 C4H1s 0.770 1.880 2.875 13.052 13.371 0.976 [OK] 1691 216 L PHE C 1 C3H0s 0.770 1.610 2.255 8.761 8.697 1.007 [OK] 1692 216 L PHE O 16 O1H0u 0.660 1.420 2.543 12.910 15.961 0.809 [OK] 1693 216 L PHE CB 8 C4H2s 0.770 1.880 3.009 22.814 23.623 0.966 possible 1694 216 L PHE CG 2 C3H0b 0.770 1.610 2.672 9.450 9.684 0.976 [OK] 1695 216 L PHE CD1 5 C3H1s 0.770 1.760 2.935 19.696 20.325 0.969 [OK] 1696 216 L PHE CD2 6 C3H1b 0.770 1.760 2.878 18.136 20.948 0.866 [OK] 1697 216 L PHE CE1 6 C3H1b 0.770 1.760 3.358 24.325 21.532 1.130 possible 1698 216 L PHE CE2 6 C3H1b 0.770 1.760 3.140 22.652 21.625 1.047 possible 1699 216 L PHE CZ 6 C3H1b 0.770 1.760 3.070 22.208 21.555 1.030 possible 1700 217 L ARG N 12 N3H1s 0.700 1.640 2.470 13.822 13.486 1.025 [OK] 1701 217 L ARG CA 3 C4H1s 0.770 1.880 2.586 12.471 13.310 0.937 [OK] 1702 217 L ARG C 1 C3H0s 0.770 1.610 2.642 8.256 8.779 0.940 [OK] 1703 217 L ARG O 16 O1H0u 0.660 1.420 2.258 12.047 15.916 0.757 [OK] 1704 217 L ARG CB 8 C4H2s 0.770 1.880 2.880 21.150 22.833 0.926 [OK] 1705 217 L ARG CG 8 C4H2s 0.770 1.880 2.748 22.052 23.273 0.948 [OK] 1706 217 L ARG CD 8 C4H2s 0.770 1.880 2.998 25.203 22.849 1.103 [OK] 1707 217 L ARG NE 13 N3H1b 0.700 1.640 3.243 19.814 15.019 1.319 possible 1708 217 L ARG CZ 2 C3H0b 0.770 1.610 2.529 10.574 9.678 1.093 [OK] 1709 217 L ARG NH1 15 N3H2u 0.700 1.640 2.641 21.851 22.056 0.991 [OK] 1710 217 L ARG NH2 15 N3H2u 0.700 1.640 3.303 39.212 23.132 1.695 possible 1711 218 L ASP N 12 N3H1s 0.700 1.640 2.747 13.547 13.654 0.992 [OK] 1712 218 L ASP CA 3 C4H1s 0.770 1.880 2.712 11.590 13.254 0.874 [OK] 1713 218 L ASP C 1 C3H0s 0.770 1.610 2.645 8.865 8.750 1.013 [OK] 1714 218 L ASP O 16 O1H0u 0.660 1.420 2.531 14.666 15.757 0.931 [OK] 1715 218 L ASP CB 8 C4H2s 0.770 1.880 3.186 25.172 23.022 1.093 possible 1716 218 L ASP CG 2 C3H0b 0.770 1.610 2.506 9.547 9.336 1.023 [OK] 1717 218 L ASP OD1 16 O1H0u 0.660 1.420 2.554 16.325 15.078 1.083 [OK] 1718 218 L ASP OD2 16 O1H0u 0.660 1.420 2.620 17.403 15.582 1.117 [OK] 1719 219 L LEU N 12 N3H1s 0.700 1.640 2.434 12.400 13.517 0.917 [OK] 1720 219 L LEU CA 3 C4H1s 0.770 1.880 2.882 13.057 13.055 1.000 [OK] 1721 219 L LEU C 1 C3H0s 0.770 1.610 2.314 7.891 8.781 0.899 [OK] 1722 219 L LEU O 16 O1H0u 0.660 1.420 2.918 15.864 15.957 0.994 [OK] 1723 219 L LEU CB 8 C4H2s 0.770 1.880 3.050 22.288 22.818 0.977 possible 1724 219 L LEU CG 4 C4H1b 0.770 1.880 2.784 13.567 14.704 0.923 [OK] 1725 219 L LEU CD1 10 C4H3u 0.770 1.880 3.038 36.651 37.235 0.984 possible 1726 219 L LEU CD2 10 C4H3u 0.770 1.880 3.206 43.664 37.020 1.179 possible 1727 220 L VAL N 12 N3H1s 0.700 1.640 2.516 10.650 13.553 0.786 [OK] 1728 220 L VAL CA 3 C4H1s 0.770 1.880 4.179 16.903 13.078 1.292 possible 1729 220 L VAL C 1 C3H0s 0.770 1.610 2.461 7.963 8.528 0.934 [OK] 1730 220 L VAL O 16 O1H0u 0.660 1.420 21.469 -1.000 15.998 -1.000 bad 1731 220 L VAL CB 4 C4H1b 0.770 1.880 6.679 43.654 14.514 3.008 possible 1732 220 L VAL CG1 10 C4H3u 0.770 1.880 4.817 44.680 36.320 1.230 possible 1733 220 L VAL CG2 10 C4H3u 0.770 1.880 4.373 48.960 36.173 1.353 possible 1734 221 L GLY N 12 N3H1s 0.700 1.640 2.319 11.432 14.480 0.789 [OK] 1735 221 L GLY CA 8 C4H2s 0.770 1.880 3.856 22.662 23.470 0.966 possible 1736 221 L GLY C 2 C3H0b 0.770 1.610 2.576 9.843 9.652 1.020 [OK] 1737 221 L GLY O 16 O1H0u 0.660 1.420 7.270 47.716 16.154 2.954 possible 1738 222 L TYR N 12 N3H1s 0.700 1.640 2.655 14.161 13.473 1.051 [OK] 1739 222 L TYR CA 3 C4H1s 0.770 1.880 2.989 15.531 13.249 1.172 [OK] 1740 222 L TYR C 1 C3H0s 0.770 1.610 2.434 8.860 8.714 1.017 [OK] 1741 222 L TYR O 16 O1H0u 0.660 1.420 2.624 17.077 15.901 1.074 [OK] 1742 222 L TYR CB 8 C4H2s 0.770 1.880 5.563 42.699 23.426 1.823 possible 1743 222 L TYR CG 2 C3H0b 0.770 1.610 3.412 10.298 9.695 1.062 possible 1744 222 L TYR CD1 5 C3H1s 0.770 1.760 2.743 17.683 20.057 0.882 [OK] 1745 222 L TYR CD2 5 C3H1s 0.770 1.760 3.484 20.475 20.578 0.995 possible 1746 222 L TYR CE1 5 C3H1s 0.770 1.760 2.934 18.747 20.534 0.913 [OK] 1747 222 L TYR CE2 5 C3H1s 0.770 1.760 3.091 21.990 20.577 1.069 possible 1748 222 L TYR CZ 2 C3H0b 0.770 1.610 2.625 9.543 9.888 0.965 [OK] 1749 222 L TYR OH 17 O2H1u 0.660 1.460 3.141 24.482 18.541 1.320 possible 1750 223 L SER N 12 N3H1s 0.700 1.640 2.519 13.561 13.808 0.982 [OK] 1751 223 L SER CA 3 C4H1s 0.770 1.880 2.430 10.771 13.351 0.807 [OK] 1752 223 L SER C 1 C3H0s 0.770 1.610 2.025 7.617 8.858 0.860 [OK] 1753 223 L SER O 16 O1H0u 0.660 1.420 2.400 14.760 15.860 0.931 [OK] 1754 223 L SER CB 8 C4H2s 0.770 1.880 2.791 23.966 23.599 1.016 [OK] 1755 223 L SER OG 17 O2H1u 0.660 1.460 2.592 17.448 18.021 0.968 [OK] 1756 224 L ILE N 12 N3H1s 0.700 1.640 2.206 10.755 13.493 0.797 [OK] 1757 224 L ILE CA 3 C4H1s 0.770 1.880 2.672 12.953 12.946 1.001 [OK] 1758 224 L ILE C 1 C3H0s 0.770 1.610 2.331 8.096 8.445 0.959 [OK] 1759 224 L ILE O 16 O1H0u 0.660 1.420 3.164 20.063 15.930 1.259 possible 1760 224 L ILE CB 4 C4H1b 0.770 1.880 3.031 14.891 14.146 1.053 possible 1761 224 L ILE CG1 9 C4H2b 0.770 1.880 3.638 29.196 24.071 1.213 possible 1762 224 L ILE CG2 10 C4H3u 0.770 1.880 2.974 29.707 35.763 0.831 [OK] 1763 224 L ILE CD1 10 C4H3u 0.770 1.880 3.389 40.087 38.219 1.049 possible 1764 225 L GLY N 12 N3H1s 0.700 1.640 2.648 12.836 14.480 0.886 [OK] 1765 225 L GLY CA 8 C4H2s 0.770 1.880 3.537 30.360 23.470 1.294 possible 1766 225 L GLY C 2 C3H0b 0.770 1.610 3.205 12.483 9.652 1.293 possible 1767 225 L GLY O 16 O1H0u 0.660 1.420 2.559 14.682 16.154 0.909 [OK] 1768 226 L THR N 12 N3H1s 0.700 1.640 3.446 19.715 13.544 1.456 possible 1769 226 L THR CA 3 C4H1s 0.770 1.880 3.079 14.220 13.025 1.092 possible 1770 226 L THR C 1 C3H0s 0.770 1.610 2.220 8.294 8.685 0.955 [OK] 1771 226 L THR O 16 O1H0u 0.660 1.420 2.656 17.232 15.795 1.091 [OK] 1772 226 L THR CB 4 C4H1b 0.770 1.880 2.949 15.187 14.687 1.034 [OK] 1773 226 L THR OG1 17 O2H1u 0.660 1.460 2.990 23.279 17.610 1.322 [OK] 1774 226 L THR CG2 10 C4H3u 0.770 1.880 3.604 48.606 36.265 1.340 possible 1775 227 L LEU N 12 N3H1s 0.700 1.640 3.511 21.076 13.517 1.559 possible 1776 227 L LEU CA 3 C4H1s 0.770 1.880 3.106 12.762 13.055 0.978 possible 1777 227 L LEU C 1 C3H0s 0.770 1.610 2.671 8.635 8.781 0.983 [OK] 1778 227 L LEU O 16 O1H0u 0.660 1.420 2.587 15.368 15.957 0.963 [OK] 1779 227 L LEU CB 8 C4H2s 0.770 1.880 3.443 31.303 22.818 1.372 possible 1780 227 L LEU CG 4 C4H1b 0.770 1.880 2.847 13.099 14.704 0.891 [OK] 1781 227 L LEU CD1 10 C4H3u 0.770 1.880 3.111 38.312 37.235 1.029 possible 1782 227 L LEU CD2 10 C4H3u 0.770 1.880 3.179 35.171 37.020 0.950 possible 1783 228 L GLY N 12 N3H1s 0.700 1.640 3.445 18.278 14.480 1.262 possible 1784 228 L GLY CA 8 C4H2s 0.770 1.880 3.072 26.710 23.470 1.138 possible 1785 228 L GLY C 2 C3H0b 0.770 1.610 2.306 8.720 9.652 0.903 [OK] 1786 228 L GLY O 16 O1H0u 0.660 1.420 2.610 14.438 16.154 0.894 [OK] 1787 229 L ILE N 12 N3H1s 0.700 1.640 2.384 12.573 13.493 0.932 [OK] 1788 229 L ILE CA 3 C4H1s 0.770 1.880 2.668 12.061 12.946 0.932 [OK] 1789 229 L ILE C 1 C3H0s 0.770 1.610 2.772 8.018 8.445 0.949 [OK] 1790 229 L ILE O 16 O1H0u 0.660 1.420 2.760 16.211 15.930 1.018 [OK] 1791 229 L ILE CB 4 C4H1b 0.770 1.880 2.988 13.922 14.146 0.984 [OK] 1792 229 L ILE CG1 9 C4H2b 0.770 1.880 3.049 23.079 24.071 0.959 possible 1793 229 L ILE CG2 10 C4H3u 0.770 1.880 3.233 33.819 35.763 0.946 possible 1794 229 L ILE CD1 10 C4H3u 0.770 1.880 3.242 36.508 38.219 0.955 possible 1795 230 L HIS N 12 N3H1s 0.700 1.640 2.769 13.121 13.532 0.970 [OK] 1796 230 L HIS CA 3 C4H1s 0.770 1.880 2.994 15.216 13.335 1.141 [OK] 1797 230 L HIS C 1 C3H0s 0.770 1.610 2.446 9.004 8.760 1.028 [OK] 1798 230 L HIS O 16 O1H0u 0.660 1.420 2.507 19.107 15.855 1.205 [OK] 1799 230 L HIS CB 8 C4H2s 0.770 1.880 3.111 27.308 23.443 1.165 possible 1800 230 L HIS CG 2 C3H0b 0.770 1.610 2.648 9.345 9.870 0.947 [OK] 1801 230 L HIS ND1 13 N3H1b 0.700 1.640 2.813 16.447 15.483 1.062 [OK] 1802 230 L HIS CD2 5 C3H1s 0.770 1.760 3.090 22.002 20.938 1.051 possible 1803 230 L HIS CE1 5 C3H1s 0.770 1.760 2.875 21.401 20.491 1.044 [OK] 1804 230 L HIS NE2 13 N3H1b 0.700 1.640 2.803 10.715 15.758 0.680 [OK] 1805 231 L ARG N 12 N3H1s 0.700 1.640 2.429 12.137 13.486 0.900 [OK] 1806 231 L ARG CA 3 C4H1s 0.770 1.880 3.341 16.530 13.310 1.242 possible 1807 231 L ARG C 1 C3H0s 0.770 1.610 2.227 8.475 8.779 0.965 [OK] 1808 231 L ARG O 16 O1H0u 0.660 1.420 2.940 20.415 15.916 1.283 [OK] 1809 231 L ARG CB 8 C4H2s 0.770 1.880 3.229 27.873 22.833 1.221 possible 1810 231 L ARG CG 8 C4H2s 0.770 1.880 2.917 20.618 23.273 0.886 [OK] 1811 231 L ARG CD 8 C4H2s 0.770 1.880 2.869 18.182 22.849 0.796 [OK] 1812 231 L ARG NE 13 N3H1b 0.700 1.640 2.648 15.916 15.019 1.060 [OK] 1813 231 L ARG CZ 2 C3H0b 0.770 1.610 2.517 8.687 9.678 0.898 [OK] 1814 231 L ARG NH1 15 N3H2u 0.700 1.640 2.697 19.079 22.056 0.865 [OK] 1815 231 L ARG NH2 15 N3H2u 0.700 1.640 2.997 22.428 23.132 0.970 [OK] 1816 232 L LEU N 12 N3H1s 0.700 1.640 2.467 12.412 13.517 0.918 [OK] 1817 232 L LEU CA 3 C4H1s 0.770 1.880 2.850 13.230 13.055 1.013 [OK] 1818 232 L LEU C 1 C3H0s 0.770 1.610 2.670 8.251 8.781 0.940 [OK] 1819 232 L LEU O 16 O1H0u 0.660 1.420 2.652 14.907 15.957 0.934 [OK] 1820 232 L LEU CB 8 C4H2s 0.770 1.880 3.154 21.199 22.818 0.929 possible 1821 232 L LEU CG 4 C4H1b 0.770 1.880 3.211 15.658 14.704 1.065 possible 1822 232 L LEU CD1 10 C4H3u 0.770 1.880 4.092 46.104 37.235 1.238 possible 1823 232 L LEU CD2 10 C4H3u 0.770 1.880 3.191 37.964 37.020 1.026 possible 1824 233 L GLY N 12 N3H1s 0.700 1.640 2.933 15.572 14.480 1.075 [OK] 1825 233 L GLY CA 8 C4H2s 0.770 1.880 3.162 25.769 23.470 1.098 possible 1826 233 L GLY C 2 C3H0b 0.770 1.610 2.515 9.792 9.652 1.014 [OK] 1827 233 L GLY O 16 O1H0u 0.660 1.420 2.381 15.849 16.154 0.981 [OK] 1828 234 L LEU N 12 N3H1s 0.700 1.640 2.705 15.129 13.517 1.119 [OK] 1829 234 L LEU CA 3 C4H1s 0.770 1.880 2.955 15.718 13.055 1.204 [OK] 1830 234 L LEU C 1 C3H0s 0.770 1.610 2.840 8.050 8.781 0.917 [OK] 1831 234 L LEU O 16 O1H0u 0.660 1.420 2.697 15.653 15.957 0.981 [OK] 1832 234 L LEU CB 8 C4H2s 0.770 1.880 3.234 25.844 22.818 1.133 possible 1833 234 L LEU CG 4 C4H1b 0.770 1.880 3.580 16.495 14.704 1.122 possible 1834 234 L LEU CD1 10 C4H3u 0.770 1.880 3.172 36.330 37.235 0.976 possible 1835 234 L LEU CD2 10 C4H3u 0.770 1.880 4.173 57.429 37.020 1.551 possible 1836 235 L LEU N 12 N3H1s 0.700 1.640 2.992 13.119 13.517 0.971 [OK] 1837 235 L LEU CA 3 C4H1s 0.770 1.880 3.372 16.474 13.055 1.262 possible 1838 235 L LEU C 1 C3H0s 0.770 1.610 2.877 8.653 8.781 0.985 [OK] 1839 235 L LEU O 16 O1H0u 0.660 1.420 3.165 16.096 15.957 1.009 possible 1840 235 L LEU CB 8 C4H2s 0.770 1.880 3.095 21.067 22.818 0.923 possible 1841 235 L LEU CG 4 C4H1b 0.770 1.880 4.780 20.465 14.704 1.392 possible 1842 235 L LEU CD1 10 C4H3u 0.770 1.880 32.168 -1.000 37.235 -1.000 bad 1843 235 L LEU CD2 10 C4H3u 0.770 1.880 30.102 -1.000 37.020 -1.000 bad 1844 236 L LEU N 12 N3H1s 0.700 1.640 3.045 13.767 13.517 1.019 possible 1845 236 L LEU CA 3 C4H1s 0.770 1.880 3.456 15.117 13.055 1.158 possible 1846 236 L LEU C 1 C3H0s 0.770 1.610 2.697 9.177 8.781 1.045 [OK] 1847 236 L LEU O 16 O1H0u 0.660 1.420 2.623 15.307 15.957 0.959 [OK] 1848 236 L LEU CB 8 C4H2s 0.770 1.880 2.974 24.351 22.818 1.067 [OK] 1849 236 L LEU CG 4 C4H1b 0.770 1.880 3.095 14.948 14.704 1.017 possible 1850 236 L LEU CD1 10 C4H3u 0.770 1.880 3.212 35.701 37.235 0.959 possible 1851 236 L LEU CD2 10 C4H3u 0.770 1.880 4.088 45.377 37.020 1.226 possible 1852 237 L SER N 12 N3H1s 0.700 1.640 2.567 13.211 13.808 0.957 [OK] 1853 237 L SER CA 3 C4H1s 0.770 1.880 3.243 16.896 13.351 1.265 possible 1854 237 L SER C 1 C3H0s 0.770 1.610 2.443 7.951 8.858 0.898 [OK] 1855 237 L SER O 16 O1H0u 0.660 1.420 2.668 18.425 15.860 1.162 [OK] 1856 237 L SER CB 8 C4H2s 0.770 1.880 3.146 25.726 23.599 1.090 possible 1857 237 L SER OG 17 O2H1u 0.660 1.460 2.453 17.777 18.021 0.986 [OK] 1858 238 L LEU N 12 N3H1s 0.700 1.640 2.430 12.511 13.517 0.926 [OK] 1859 238 L LEU CA 3 C4H1s 0.770 1.880 2.903 13.196 13.055 1.011 [OK] 1860 238 L LEU C 1 C3H0s 0.770 1.610 3.885 9.775 8.781 1.113 possible 1861 238 L LEU O 16 O1H0u 0.660 1.420 3.541 17.649 15.957 1.106 possible 1862 238 L LEU CB 8 C4H2s 0.770 1.880 4.992 35.768 22.818 1.568 possible 1863 238 L LEU CG 4 C4H1b 0.770 1.880 2.794 12.698 14.704 0.864 [OK] 1864 238 L LEU CD1 10 C4H3u 0.770 1.880 4.966 53.130 37.235 1.427 possible 1865 238 L LEU CD2 10 C4H3u 0.770 1.880 3.000 30.970 37.020 0.837 possible 1866 239 L SER N 12 N3H1s 0.700 1.640 3.060 12.154 13.808 0.880 possible 1867 239 L SER CA 3 C4H1s 0.770 1.880 3.890 16.355 13.351 1.225 possible 1868 239 L SER C 1 C3H0s 0.770 1.610 2.190 7.952 8.858 0.898 [OK] 1869 239 L SER O 16 O1H0u 0.660 1.420 2.661 15.254 15.860 0.962 [OK] 1870 239 L SER CB 8 C4H2s 0.770 1.880 3.258 24.915 23.599 1.056 possible 1871 239 L SER OG 17 O2H1u 0.660 1.460 7.534 81.737 18.021 4.536 possible 1872 240 L ALA N 12 N3H1s 0.700 1.640 2.280 11.873 13.872 0.856 [OK] 1873 240 L ALA CA 4 C4H1b 0.770 1.880 2.841 14.650 13.959 1.049 [OK] 1874 240 L ALA C 1 C3H0s 0.770 1.610 2.289 7.791 8.858 0.880 [OK] 1875 240 L ALA O 16 O1H0u 0.660 1.420 2.348 14.926 16.026 0.931 [OK] 1876 240 L ALA CB 10 C4H3u 0.770 1.880 3.281 36.500 36.551 0.999 possible 1877 241 L VAL N 12 N3H1s 0.700 1.640 2.547 12.779 13.553 0.943 [OK] 1878 241 L VAL CA 3 C4H1s 0.770 1.880 2.922 13.542 13.078 1.036 [OK] 1879 241 L VAL C 1 C3H0s 0.770 1.610 2.530 7.853 8.528 0.921 [OK] 1880 241 L VAL O 16 O1H0u 0.660 1.420 3.114 18.857 15.998 1.179 possible 1881 241 L VAL CB 4 C4H1b 0.770 1.880 2.903 16.048 14.514 1.106 [OK] 1882 241 L VAL CG1 10 C4H3u 0.770 1.880 3.650 39.012 36.320 1.074 possible 1883 241 L VAL CG2 10 C4H3u 0.770 1.880 3.209 40.441 36.173 1.118 possible 1884 242 L PHE N 12 N3H1s 0.700 1.640 2.768 12.460 13.524 0.921 [OK] 1885 242 L PHE CA 3 C4H1s 0.770 1.880 3.650 19.468 13.371 1.456 possible 1886 242 L PHE C 1 C3H0s 0.770 1.610 2.028 7.552 8.697 0.868 [OK] 1887 242 L PHE O 16 O1H0u 0.660 1.420 3.263 19.887 15.961 1.246 possible 1888 242 L PHE CB 8 C4H2s 0.770 1.880 4.561 27.403 23.623 1.160 possible 1889 242 L PHE CG 2 C3H0b 0.770 1.610 5.934 16.275 9.684 1.681 possible 1890 242 L PHE CD1 5 C3H1s 0.770 1.760 6.856 42.688 20.325 2.100 possible 1891 242 L PHE CD2 6 C3H1b 0.770 1.760 6.180 31.600 20.948 1.509 possible 1892 242 L PHE CE1 6 C3H1b 0.770 1.760 34.962 -1.000 21.532 -1.000 bad 1893 242 L PHE CE2 6 C3H1b 0.770 1.760 12.777 -1.000 21.625 -1.000 bad 1894 242 L PHE CZ 6 C3H1b 0.770 1.760 26.658 -1.000 21.555 -1.000 bad 1895 243 L PHE N 12 N3H1s 0.700 1.640 2.383 12.199 13.524 0.902 [OK] 1896 243 L PHE CA 3 C4H1s 0.770 1.880 2.839 12.579 13.371 0.941 [OK] 1897 243 L PHE C 1 C3H0s 0.770 1.610 2.154 8.193 8.697 0.942 [OK] 1898 243 L PHE O 16 O1H0u 0.660 1.420 2.460 15.987 15.961 1.002 [OK] 1899 243 L PHE CB 8 C4H2s 0.770 1.880 2.877 22.247 23.623 0.942 [OK] 1900 243 L PHE CG 2 C3H0b 0.770 1.610 2.427 8.962 9.684 0.925 [OK] 1901 243 L PHE CD1 5 C3H1s 0.770 1.760 2.971 22.317 20.325 1.098 [OK] 1902 243 L PHE CD2 6 C3H1b 0.770 1.760 2.973 19.436 20.948 0.928 [OK] 1903 243 L PHE CE1 6 C3H1b 0.770 1.760 3.581 25.964 21.532 1.206 possible 1904 243 L PHE CE2 6 C3H1b 0.770 1.760 7.197 50.450 21.625 2.333 possible 1905 243 L PHE CZ 6 C3H1b 0.770 1.760 6.923 39.034 21.555 1.811 possible 1906 244 L SER N 12 N3H1s 0.700 1.640 2.134 11.942 13.808 0.865 [OK] 1907 244 L SER CA 3 C4H1s 0.770 1.880 3.019 14.737 13.351 1.104 possible 1908 244 L SER C 1 C3H0s 0.770 1.610 2.277 8.102 8.858 0.915 [OK] 1909 244 L SER O 16 O1H0u 0.660 1.420 2.188 13.860 15.860 0.874 [OK] 1910 244 L SER CB 8 C4H2s 0.770 1.880 3.078 23.516 23.599 0.996 possible 1911 244 L SER OG 17 O2H1u 0.660 1.460 2.476 17.143 18.021 0.951 [OK] 1912 245 L ALA N 12 N3H1s 0.700 1.640 2.853 14.780 13.872 1.065 [OK] 1913 245 L ALA CA 4 C4H1b 0.770 1.880 3.039 15.562 13.959 1.115 possible 1914 245 L ALA C 1 C3H0s 0.770 1.610 3.052 8.317 8.858 0.939 possible 1915 245 L ALA O 16 O1H0u 0.660 1.420 2.849 15.554 16.026 0.971 [OK] 1916 245 L ALA CB 10 C4H3u 0.770 1.880 5.005 63.560 36.551 1.739 possible 1917 246 L LEU N 12 N3H1s 0.700 1.640 3.324 15.202 13.517 1.125 possible 1918 246 L LEU CA 3 C4H1s 0.770 1.880 3.008 11.129 13.055 0.852 possible 1919 246 L LEU C 1 C3H0s 0.770 1.610 2.530 8.406 8.781 0.957 [OK] 1920 246 L LEU O 16 O1H0u 0.660 1.420 2.301 13.628 15.957 0.854 [OK] 1921 246 L LEU CB 8 C4H2s 0.770 1.880 2.913 21.144 22.818 0.927 [OK] 1922 246 L LEU CG 4 C4H1b 0.770 1.880 4.642 21.162 14.704 1.439 possible 1923 246 L LEU CD1 10 C4H3u 0.770 1.880 5.316 59.030 37.235 1.585 possible 1924 246 L LEU CD2 10 C4H3u 0.770 1.880 31.200 -1.000 37.020 -1.000 bad 1925 247 L CYS N 12 N3H1s 0.700 1.640 2.326 12.132 13.865 0.875 [OK] 1926 247 L CYS CA 3 C4H1s 0.770 1.880 2.686 13.533 13.583 0.996 [OK] 1927 247 L CYS C 1 C3H0s 0.770 1.610 2.409 8.081 8.786 0.920 [OK] 1928 247 L CYS O 16 O1H0u 0.660 1.420 2.345 15.326 16.382 0.936 [OK] 1929 247 L CYS CB 9 C4H2b 0.770 1.880 2.836 20.834 23.471 0.888 [OK] 1930 247 L CYS SG 20 S2H1u 1.040 1.770 2.972 38.790 36.748 1.056 [OK] 1931 248 L MET N 12 N3H1s 0.700 1.640 2.194 11.872 13.405 0.886 [OK] 1932 248 L MET CA 3 C4H1s 0.770 1.880 2.692 11.801 13.194 0.894 [OK] 1933 248 L MET C 1 C3H0s 0.770 1.610 2.661 8.525 8.756 0.974 [OK] 1934 248 L MET O 16 O1H0u 0.660 1.420 2.438 15.368 16.002 0.960 [OK] 1935 248 L MET CB 8 C4H2s 0.770 1.880 3.044 25.398 23.418 1.085 possible 1936 248 L MET CG 9 C4H2b 0.770 1.880 2.562 18.865 23.830 0.792 [OK] 1937 248 L MET SD 19 S2H0u 1.040 1.770 2.824 27.790 30.207 0.920 [OK] 1938 248 L MET CE 10 C4H3u 0.770 1.880 3.022 37.275 37.003 1.007 possible 1939 249 L ILE N 12 N3H1s 0.700 1.640 2.691 12.791 13.493 0.948 [OK] 1940 249 L ILE CA 3 C4H1s 0.770 1.880 2.889 13.968 12.946 1.079 [OK] 1941 249 L ILE C 1 C3H0s 0.770 1.610 2.804 8.192 8.445 0.970 [OK] 1942 249 L ILE O 16 O1H0u 0.660 1.420 3.636 20.077 15.930 1.260 possible 1943 249 L ILE CB 4 C4H1b 0.770 1.880 4.473 18.187 14.146 1.286 possible 1944 249 L ILE CG1 9 C4H2b 0.770 1.880 17.807 -1.000 24.071 -1.000 bad 1945 249 L ILE CG2 10 C4H3u 0.770 1.880 7.836 72.489 35.763 2.027 possible 1946 249 L ILE CD1 10 C4H3u 0.770 1.880 4.898 43.366 38.219 1.135 possible 1947 250 L ILE N 12 N3H1s 0.700 1.640 2.586 11.997 13.493 0.889 [OK] 1948 250 L ILE CA 3 C4H1s 0.770 1.880 3.510 14.218 12.946 1.098 possible 1949 250 L ILE C 1 C3H0s 0.770 1.610 2.495 8.833 8.445 1.046 [OK] 1950 250 L ILE O 16 O1H0u 0.660 1.420 2.577 16.386 15.930 1.029 [OK] 1951 250 L ILE CB 4 C4H1b 0.770 1.880 3.157 15.091 14.146 1.067 possible 1952 250 L ILE CG1 9 C4H2b 0.770 1.880 2.979 21.524 24.071 0.894 [OK] 1953 250 L ILE CG2 10 C4H3u 0.770 1.880 7.120 73.142 35.763 2.045 possible 1954 250 L ILE CD1 10 C4H3u 0.770 1.880 3.129 41.480 38.219 1.085 possible 1955 251 L THR N 12 N3H1s 0.700 1.640 2.470 13.064 13.544 0.965 [OK] 1956 251 L THR CA 3 C4H1s 0.770 1.880 3.008 13.850 13.025 1.063 possible 1957 251 L THR C 1 C3H0s 0.770 1.610 2.398 7.594 8.685 0.874 [OK] 1958 251 L THR O 16 O1H0u 0.660 1.420 2.485 16.338 15.795 1.034 [OK] 1959 251 L THR CB 4 C4H1b 0.770 1.880 2.722 14.099 14.687 0.960 [OK] 1960 251 L THR OG1 17 O2H1u 0.660 1.460 2.791 19.077 17.610 1.083 [OK] 1961 251 L THR CG2 10 C4H3u 0.770 1.880 3.086 34.369 36.265 0.948 possible 1962 252 L GLY N 12 N3H1s 0.700 1.640 2.744 13.701 14.480 0.946 [OK] 1963 252 L GLY CA 8 C4H2s 0.770 1.880 2.968 23.313 23.470 0.993 [OK] 1964 252 L GLY C 2 C3H0b 0.770 1.610 2.700 10.973 9.652 1.137 [OK] 1965 252 L GLY O 16 O1H0u 0.660 1.420 5.264 39.437 16.154 2.441 possible 1966 253 L THR N 12 N3H1s 0.700 1.640 2.732 13.985 13.544 1.033 [OK] 1967 253 L THR CA 3 C4H1s 0.770 1.880 3.603 15.517 13.025 1.191 possible 1968 253 L THR C 1 C3H0s 0.770 1.610 2.731 9.961 8.685 1.147 [OK] 1969 253 L THR O 16 O1H0u 0.660 1.420 4.935 35.341 15.795 2.237 possible 1970 253 L THR CB 4 C4H1b 0.770 1.880 2.843 15.271 14.687 1.040 [OK] 1971 253 L THR OG1 17 O2H1u 0.660 1.460 3.180 16.981 17.610 0.964 possible 1972 253 L THR CG2 10 C4H3u 0.770 1.880 3.300 40.247 36.265 1.110 possible 1973 254 L ILE N 12 N3H1s 0.700 1.640 2.354 10.906 13.493 0.808 [OK] 1974 254 L ILE CA 3 C4H1s 0.770 1.880 3.785 17.078 12.946 1.319 possible 1975 254 L ILE C 1 C3H0s 0.770 1.610 2.984 9.796 8.445 1.160 [OK] 1976 254 L ILE O 16 O1H0u 0.660 1.420 24.786 -1.000 15.930 -1.000 bad 1977 254 L ILE CB 4 C4H1b 0.770 1.880 8.224 -1.000 14.146 -1.000 bad 1978 254 L ILE CG1 9 C4H2b 0.770 1.880 3.260 24.761 24.071 1.029 possible 1979 254 L ILE CG2 10 C4H3u 0.770 1.880 24.092 -1.000 35.763 -1.000 bad 1980 254 L ILE CD1 10 C4H3u 0.770 1.880 26.734 -1.000 38.219 -1.000 bad 1981 255 L TRP N 12 N3H1s 0.700 1.640 2.751 14.327 13.639 1.050 [OK] 1982 255 L TRP CA 3 C4H1s 0.770 1.880 2.851 13.356 13.323 1.003 [OK] 1983 255 L TRP C 1 C3H0s 0.770 1.610 2.740 9.101 8.687 1.048 [OK] 1984 255 L TRP O 16 O1H0u 0.660 1.420 2.691 18.353 15.797 1.162 [OK] 1985 255 L TRP CB 8 C4H2s 0.770 1.880 3.377 28.952 23.826 1.215 possible 1986 255 L TRP CG 2 C3H0b 0.770 1.610 2.746 9.159 9.915 0.924 [OK] 1987 255 L TRP CD1 5 C3H1s 0.770 1.760 2.971 21.001 20.597 1.020 [OK] 1988 255 L TRP CD2 2 C3H0b 0.770 1.610 2.844 10.699 10.068 1.063 [OK] 1989 255 L TRP NE1 13 N3H1b 0.700 1.640 2.507 15.551 16.723 0.930 [OK] 1990 255 L TRP CE2 2 C3H0b 0.770 1.610 2.467 10.100 9.848 1.026 [OK] 1991 255 L TRP CE3 6 C3H1b 0.770 1.760 5.396 38.411 20.383 1.884 possible 1992 255 L TRP CZ2 6 C3H1b 0.770 1.760 3.242 19.182 20.931 0.916 possible 1993 255 L TRP CZ3 6 C3H1b 0.770 1.760 22.385 -1.000 21.429 -1.000 bad 1994 255 L TRP CH2 6 C3H1b 0.770 1.760 6.451 53.784 21.219 2.535 possible 1995 256 L PHE N 12 N3H1s 0.700 1.640 2.459 12.070 13.524 0.892 [OK] 1996 256 L PHE CA 3 C4H1s 0.770 1.880 2.775 13.548 13.371 1.013 [OK] 1997 256 L PHE C 1 C3H0s 0.770 1.610 2.570 9.136 8.697 1.050 [OK] 1998 256 L PHE O 16 O1H0u 0.660 1.420 4.632 28.504 15.961 1.786 possible 1999 256 L PHE CB 8 C4H2s 0.770 1.880 4.018 31.117 23.623 1.317 possible 2000 256 L PHE CG 2 C3H0b 0.770 1.610 4.902 12.732 9.684 1.315 possible 2001 256 L PHE CD1 5 C3H1s 0.770 1.760 6.836 47.245 20.325 2.324 possible 2002 256 L PHE CD2 6 C3H1b 0.770 1.760 5.425 39.871 20.948 1.903 possible 2003 256 L PHE CE1 6 C3H1b 0.770 1.760 23.880 -1.000 21.532 -1.000 bad 2004 256 L PHE CE2 6 C3H1b 0.770 1.760 26.580 -1.000 21.625 -1.000 bad 2005 256 L PHE CZ 6 C3H1b 0.770 1.760 32.587 -1.000 21.555 -1.000 bad 2006 257 L ASP N 12 N3H1s 0.700 1.640 2.556 12.967 13.654 0.950 [OK] 2007 257 L ASP CA 3 C4H1s 0.770 1.880 4.559 17.498 13.254 1.320 possible 2008 257 L ASP C 1 C3H0s 0.770 1.610 3.136 10.100 8.750 1.154 possible 2009 257 L ASP O 16 O1H0u 0.660 1.420 2.849 17.049 15.757 1.082 [OK] 2010 257 L ASP CB 8 C4H2s 0.770 1.880 5.088 39.918 23.022 1.734 possible 2011 257 L ASP CG 2 C3H0b 0.770 1.610 7.171 18.903 9.336 2.025 possible 2012 257 L ASP OD1 16 O1H0u 0.660 1.420 23.367 -1.000 15.078 -1.000 bad 2013 257 L ASP OD2 16 O1H0u 0.660 1.420 24.669 -1.000 15.582 -1.000 bad 2014 258 L GLN N 12 N3H1s 0.700 1.640 3.611 18.675 13.449 1.389 possible 2015 258 L GLN CA 3 C4H1s 0.770 1.880 2.546 11.702 13.231 0.884 [OK] 2016 258 L GLN C 1 C3H0s 0.770 1.610 2.232 8.038 8.744 0.919 [OK] 2017 258 L GLN O 16 O1H0u 0.660 1.420 2.493 15.152 15.767 0.961 [OK] 2018 258 L GLN CB 8 C4H2s 0.770 1.880 3.367 24.670 23.059 1.070 possible 2019 258 L GLN CG 8 C4H2s 0.770 1.880 24.221 -1.000 23.218 -1.000 bad 2020 258 L GLN CD 2 C3H0b 0.770 1.610 2.023 -1.000 9.618 -1.000 bad 2021 258 L GLN OE1 16 O1H0u 0.660 1.420 26.135 -1.000 16.571 -1.000 bad 2022 258 L GLN NE2 15 N3H2u 0.700 1.640 22.492 -1.000 23.255 -1.000 bad 2023 259 L TRP N 12 N3H1s 0.700 1.640 2.519 13.151 13.639 0.964 [OK] 2024 259 L TRP CA 3 C4H1s 0.770 1.880 2.620 12.022 13.323 0.902 [OK] 2025 259 L TRP C 1 C3H0s 0.770 1.610 2.164 7.803 8.687 0.898 [OK] 2026 259 L TRP O 16 O1H0u 0.660 1.420 2.519 15.844 15.797 1.003 [OK] 2027 259 L TRP CB 8 C4H2s 0.770 1.880 3.026 23.479 23.826 0.985 possible 2028 259 L TRP CG 2 C3H0b 0.770 1.610 2.604 9.274 9.915 0.935 [OK] 2029 259 L TRP CD1 5 C3H1s 0.770 1.760 2.980 21.745 20.597 1.056 [OK] 2030 259 L TRP CD2 2 C3H0b 0.770 1.610 2.247 8.847 10.068 0.879 [OK] 2031 259 L TRP NE1 13 N3H1b 0.700 1.640 2.998 18.689 16.723 1.118 [OK] 2032 259 L TRP CE2 2 C3H0b 0.770 1.610 2.426 9.106 9.848 0.925 [OK] 2033 259 L TRP CE3 6 C3H1b 0.770 1.760 2.853 19.485 20.383 0.956 [OK] 2034 259 L TRP CZ2 6 C3H1b 0.770 1.760 2.915 22.038 20.931 1.053 [OK] 2035 259 L TRP CZ3 6 C3H1b 0.770 1.760 2.865 20.103 21.429 0.938 [OK] 2036 259 L TRP CH2 6 C3H1b 0.770 1.760 3.073 21.149 21.219 0.997 possible 2037 260 L VAL N 12 N3H1s 0.700 1.640 2.392 11.985 13.553 0.884 [OK] 2038 260 L VAL CA 3 C4H1s 0.770 1.880 2.459 11.367 13.078 0.869 [OK] 2039 260 L VAL C 1 C3H0s 0.770 1.610 2.562 7.658 8.528 0.898 [OK] 2040 260 L VAL O 16 O1H0u 0.660 1.420 3.772 22.301 15.998 1.394 possible 2041 260 L VAL CB 4 C4H1b 0.770 1.880 4.580 18.609 14.514 1.282 possible 2042 260 L VAL CG1 10 C4H3u 0.770 1.880 21.637 -1.000 36.320 -1.000 bad 2043 260 L VAL CG2 10 C4H3u 0.770 1.880 30.509 -1.000 36.173 -1.000 bad 2044 261 L ASP N 12 N3H1s 0.700 1.640 2.590 12.028 13.654 0.881 [OK] 2045 261 L ASP CA 3 C4H1s 0.770 1.880 3.518 15.225 13.254 1.149 possible 2046 261 L ASP C 1 C3H0s 0.770 1.610 2.812 8.522 8.750 0.974 [OK] 2047 261 L ASP O 16 O1H0u 0.660 1.420 4.483 24.755 15.757 1.571 possible 2048 261 L ASP CB 8 C4H2s 0.770 1.880 5.316 38.856 23.022 1.688 possible 2049 261 L ASP CG 2 C3H0b 0.770 1.610 3.796 12.499 9.336 1.339 possible 2050 261 L ASP OD1 16 O1H0u 0.660 1.420 24.795 -1.000 15.078 -1.000 bad 2051 261 L ASP OD2 16 O1H0u 0.660 1.420 25.410 -1.000 15.582 -1.000 bad 2052 262 L TRP N 12 N3H1s 0.700 1.640 2.505 13.248 13.639 0.971 [OK] 2053 262 L TRP CA 3 C4H1s 0.770 1.880 4.450 17.706 13.323 1.329 possible 2054 262 L TRP C 1 C3H0s 0.770 1.610 2.287 7.644 8.687 0.880 [OK] 2055 262 L TRP O 16 O1H0u 0.660 1.420 4.124 21.549 15.797 1.364 possible 2056 262 L TRP CB 8 C4H2s 0.770 1.880 2.794 21.296 23.826 0.894 [OK] 2057 262 L TRP CG 2 C3H0b 0.770 1.610 2.449 9.453 9.915 0.953 [OK] 2058 262 L TRP CD1 5 C3H1s 0.770 1.760 5.742 37.957 20.597 1.843 possible 2059 262 L TRP CD2 2 C3H0b 0.770 1.610 2.451 10.117 10.068 1.005 [OK] 2060 262 L TRP NE1 13 N3H1b 0.700 1.640 6.262 44.731 16.723 2.675 possible 2061 262 L TRP CE2 2 C3H0b 0.770 1.610 2.625 10.590 9.848 1.075 [OK] 2062 262 L TRP CE3 6 C3H1b 0.770 1.760 2.867 19.319 20.383 0.948 [OK] 2063 262 L TRP CZ2 6 C3H1b 0.770 1.760 6.037 53.896 20.931 2.575 possible 2064 262 L TRP CZ3 6 C3H1b 0.770 1.760 2.954 19.750 21.429 0.922 [OK] 2065 262 L TRP CH2 6 C3H1b 0.770 1.760 6.679 49.139 21.219 2.316 possible 2066 263 L TRP N 12 N3H1s 0.700 1.640 2.361 12.134 13.639 0.890 [OK] 2067 263 L TRP CA 3 C4H1s 0.770 1.880 3.180 14.304 13.323 1.074 possible 2068 263 L TRP C 1 C3H0s 0.770 1.610 3.129 9.249 8.687 1.065 possible 2069 263 L TRP O 16 O1H0u 0.660 1.420 3.128 22.150 15.797 1.402 possible 2070 263 L TRP CB 8 C4H2s 0.770 1.880 3.775 31.143 23.826 1.307 possible 2071 263 L TRP CG 2 C3H0b 0.770 1.610 2.858 10.044 9.915 1.013 [OK] 2072 263 L TRP CD1 5 C3H1s 0.770 1.760 2.925 17.419 20.597 0.846 [OK] 2073 263 L TRP CD2 2 C3H0b 0.770 1.610 2.355 8.728 10.068 0.867 [OK] 2074 263 L TRP NE1 13 N3H1b 0.700 1.640 2.720 15.187 16.723 0.908 [OK] 2075 263 L TRP CE2 2 C3H0b 0.770 1.610 2.494 9.351 9.848 0.950 [OK] 2076 263 L TRP CE3 6 C3H1b 0.770 1.760 3.522 29.909 20.383 1.467 possible 2077 263 L TRP CZ2 6 C3H1b 0.770 1.760 2.767 19.973 20.931 0.954 [OK] 2078 263 L TRP CZ3 6 C3H1b 0.770 1.760 5.193 43.285 21.429 2.020 possible 2079 263 L TRP CH2 6 C3H1b 0.770 1.760 5.600 54.542 21.219 2.570 possible 2080 264 L GLN N 12 N3H1s 0.700 1.640 3.831 17.422 13.449 1.295 possible 2081 264 L GLN CA 3 C4H1s 0.770 1.880 3.763 13.971 13.231 1.056 possible 2082 264 L GLN C 1 C3H0s 0.770 1.610 3.560 9.344 8.744 1.069 possible 2083 264 L GLN O 16 O1H0u 0.660 1.420 3.079 14.132 15.767 0.896 possible 2084 264 L GLN CB 8 C4H2s 0.770 1.880 4.595 27.967 23.059 1.213 possible 2085 264 L GLN CG 8 C4H2s 0.770 1.880 5.749 55.336 23.218 2.383 possible 2086 264 L GLN CD 2 C3H0b 0.770 1.610 2.966 11.157 9.618 1.160 [OK] 2087 264 L GLN OE1 16 O1H0u 0.660 1.420 28.025 -1.000 16.571 -1.000 bad 2088 264 L GLN NE2 15 N3H2u 0.700 1.640 32.917 -1.000 23.255 -1.000 bad 2089 265 L TRP N 12 N3H1s 0.700 1.640 5.203 23.511 13.639 1.724 possible 2090 265 L TRP CA 3 C4H1s 0.770 1.880 11.158 -1.000 13.323 -1.000 bad 2091 265 L TRP C 1 C3H0s 0.770 1.610 2.045 7.320 8.687 0.843 [OK] 2092 265 L TRP O 16 O1H0u 0.660 1.420 5.715 27.438 15.797 1.737 possible 2093 265 L TRP CB 8 C4H2s 0.770 1.880 31.263 -1.000 23.826 -1.000 bad 2094 265 L TRP CG 2 C3H0b 0.770 1.610 1.064 -1.000 9.915 -1.000 bad 2095 265 L TRP CD1 5 C3H1s 0.770 1.760 5.913 31.046 20.597 1.507 possible 2096 265 L TRP CD2 2 C3H0b 0.770 1.610 1.979 -1.000 10.068 -1.000 bad 2097 265 L TRP NE1 13 N3H1b 0.700 1.640 5.686 30.909 16.723 1.848 possible 2098 265 L TRP CE2 2 C3H0b 0.770 1.610 1.695 -1.000 9.848 -1.000 bad 2099 265 L TRP CE3 6 C3H1b 0.770 1.760 10.284 -1.000 20.383 -1.000 bad 2100 265 L TRP CZ2 6 C3H1b 0.770 1.760 27.451 -1.000 20.931 -1.000 bad 2101 265 L TRP CZ3 6 C3H1b 0.770 1.760 9.953 -1.000 21.429 -1.000 bad 2102 265 L TRP CH2 6 C3H1b 0.770 1.760 16.712 -1.000 21.219 -1.000 bad 2103 266 L TRP N 12 N3H1s 0.700 1.640 2.658 12.203 13.639 0.895 [OK] 2104 266 L TRP CA 3 C4H1s 0.770 1.880 2.373 12.014 13.323 0.902 [OK] 2105 266 L TRP C 1 C3H0s 0.770 1.610 2.311 7.534 8.687 0.867 [OK] 2106 266 L TRP O 16 O1H0u 0.660 1.420 2.458 13.405 15.797 0.849 [OK] 2107 266 L TRP CB 8 C4H2s 0.770 1.880 3.817 31.705 23.826 1.331 possible 2108 266 L TRP CG 2 C3H0b 0.770 1.610 3.466 11.861 9.915 1.196 possible 2109 266 L TRP CD1 5 C3H1s 0.770 1.760 3.515 30.222 20.597 1.467 possible 2110 266 L TRP CD2 2 C3H0b 0.770 1.610 3.740 13.391 10.068 1.330 possible 2111 266 L TRP NE1 13 N3H1b 0.700 1.640 3.181 21.277 16.723 1.272 possible 2112 266 L TRP CE2 2 C3H0b 0.770 1.610 3.428 12.050 9.848 1.224 possible 2113 266 L TRP CE3 6 C3H1b 0.770 1.760 4.225 21.897 20.383 1.074 possible 2114 266 L TRP CZ2 6 C3H1b 0.770 1.760 3.762 32.874 20.931 1.571 possible 2115 266 L TRP CZ3 6 C3H1b 0.770 1.760 22.796 -1.000 21.429 -1.000 bad 2116 266 L TRP CH2 6 C3H1b 0.770 1.760 21.416 -1.000 21.219 -1.000 bad 2117 267 L VAL N 12 N3H1s 0.700 1.640 2.980 13.100 13.553 0.967 [OK] 2118 267 L VAL CA 3 C4H1s 0.770 1.880 2.836 13.371 13.078 1.022 [OK] 2119 267 L VAL C 1 C3H0s 0.770 1.610 2.427 8.257 8.528 0.968 [OK] 2120 267 L VAL O 16 O1H0u 0.660 1.420 3.590 19.149 15.998 1.197 possible 2121 267 L VAL CB 4 C4H1b 0.770 1.880 3.323 18.325 14.514 1.263 possible 2122 267 L VAL CG1 10 C4H3u 0.770 1.880 4.179 47.895 36.320 1.319 possible 2123 267 L VAL CG2 10 C4H3u 0.770 1.880 4.177 36.451 36.173 1.008 possible 2124 268 L LYS N 12 N3H1s 0.700 1.640 2.167 11.322 13.429 0.843 [OK] 2125 268 L LYS CA 3 C4H1s 0.770 1.880 2.821 12.474 13.217 0.944 [OK] 2126 268 L LYS C 1 C3H0s 0.770 1.610 2.732 9.479 8.696 1.090 [OK] 2127 268 L LYS O 16 O1H0u 0.660 1.420 16.230 -1.000 15.818 -1.000 bad 2128 268 L LYS CB 8 C4H2s 0.770 1.880 7.420 42.343 22.578 1.875 possible 2129 268 L LYS CG 8 C4H2s 0.770 1.880 4.913 43.858 22.847 1.920 possible 2130 268 L LYS CD 8 C4H2s 0.770 1.880 20.640 -1.000 23.365 -1.000 bad 2131 268 L LYS CE 9 C4H2b 0.770 1.880 26.705 -1.000 23.720 -1.000 bad 2132 268 L LYS NZ 14 N4H3u 0.700 1.640 33.266 -1.000 21.413 -1.000 bad 2133 269 L LEU N 12 N3H1s 0.700 1.640 2.882 13.025 13.517 0.964 [OK] 2134 269 L LEU CA 3 C4H1s 0.770 1.880 3.425 12.664 13.055 0.970 possible 2135 269 L LEU C 1 C3H0s 0.770 1.610 2.671 8.685 8.781 0.989 [OK] 2136 269 L LEU O 16 O1H0u 0.660 1.420 2.499 12.271 15.957 0.769 [OK] 2137 269 L LEU CB 8 C4H2s 0.770 1.880 2.896 19.993 22.818 0.876 [OK] 2138 269 L LEU CG 4 C4H1b 0.770 1.880 2.587 12.227 14.704 0.832 [OK] 2139 269 L LEU CD1 10 C4H3u 0.770 1.880 4.344 34.256 37.235 0.920 possible 2140 269 L LEU CD2 10 C4H3u 0.770 1.880 29.575 -1.000 37.020 -1.000 bad 2141 270 L PRO N 11 N3H0u 0.700 1.640 2.402 7.910 8.650 0.914 [OK] 2142 270 L PRO CA 4 C4H1b 0.770 1.880 3.961 17.987 13.828 1.301 possible 2143 270 L PRO C 1 C3H0s 0.770 1.610 5.022 10.838 8.768 1.236 possible 2144 270 L PRO O 16 O1H0u 0.660 1.420 12.059 -1.000 15.856 -1.000 bad 2145 270 L PRO CB 9 C4H2b 0.770 1.880 32.312 -1.000 25.314 -1.000 bad 2146 270 L PRO CG 9 C4H2b 0.770 1.880 39.762 -1.000 25.480 -1.000 bad 2147 270 L PRO CD 8 C4H2s 0.770 1.880 8.853 -1.000 23.390 -1.000 bad 2148 271 L TRP N 12 N3H1s 0.700 1.640 3.521 11.985 13.639 0.879 possible 2149 271 L TRP CA 3 C4H1s 0.770 1.880 10.735 -1.000 13.323 -1.000 bad 2150 271 L TRP C 1 C3H0s 0.770 1.610 3.424 10.806 8.687 1.244 possible 2151 271 L TRP O 16 O1H0u 0.660 1.420 11.901 -1.000 15.797 -1.000 bad 2152 271 L TRP CB 8 C4H2s 0.770 1.880 27.721 -1.000 23.826 -1.000 bad 2153 271 L TRP CG 2 C3H0b 0.770 1.610 0.553 -1.000 9.915 -1.000 bad 2154 271 L TRP CD1 5 C3H1s 0.770 1.760 16.759 -1.000 20.597 -1.000 bad 2155 271 L TRP CD2 2 C3H0b 0.770 1.610 1.487 -1.000 10.068 -1.000 bad 2156 271 L TRP NE1 13 N3H1b 0.700 1.640 17.594 -1.000 16.723 -1.000 bad 2157 271 L TRP CE2 2 C3H0b 0.770 1.610 1.572 -1.000 9.848 -1.000 bad 2158 271 L TRP CE3 6 C3H1b 0.770 1.760 12.367 -1.000 20.383 -1.000 bad 2159 271 L TRP CZ2 6 C3H1b 0.770 1.760 21.165 -1.000 20.931 -1.000 bad 2160 271 L TRP CZ3 6 C3H1b 0.770 1.760 13.944 -1.000 21.429 -1.000 bad 2161 271 L TRP CH2 6 C3H1b 0.770 1.760 21.497 -1.000 21.219 -1.000 bad 2162 272 L TRP N 12 N3H1s 0.700 1.640 2.777 13.279 13.639 0.974 [OK] 2163 272 L TRP CA 3 C4H1s 0.770 1.880 2.694 11.537 13.323 0.866 [OK] 2164 272 L TRP C 1 C3H0s 0.770 1.610 2.750 8.678 8.687 0.999 [OK] 2165 272 L TRP O 16 O1H0u 0.660 1.420 2.608 14.424 15.797 0.913 [OK] 2166 272 L TRP CB 8 C4H2s 0.770 1.880 3.235 26.677 23.826 1.120 possible 2167 272 L TRP CG 2 C3H0b 0.770 1.610 2.663 9.856 9.915 0.994 [OK] 2168 272 L TRP CD1 5 C3H1s 0.770 1.760 2.807 16.329 20.597 0.793 [OK] 2169 272 L TRP CD2 2 C3H0b 0.770 1.610 2.577 9.730 10.068 0.966 [OK] 2170 272 L TRP NE1 13 N3H1b 0.700 1.640 2.655 13.760 16.723 0.823 [OK] 2171 272 L TRP CE2 2 C3H0b 0.770 1.610 2.633 9.819 9.848 0.997 [OK] 2172 272 L TRP CE3 6 C3H1b 0.770 1.760 4.746 26.670 20.383 1.308 possible 2173 272 L TRP CZ2 6 C3H1b 0.770 1.760 2.744 18.926 20.931 0.904 [OK] 2174 272 L TRP CZ3 6 C3H1b 0.770 1.760 5.030 26.908 21.429 1.256 possible 2175 272 L TRP CH2 6 C3H1b 0.770 1.760 4.036 24.595 21.219 1.159 possible 2176 273 L ALA N 12 N3H1s 0.700 1.640 2.780 13.072 13.872 0.942 [OK] 2177 273 L ALA CA 4 C4H1b 0.770 1.880 3.243 15.920 13.959 1.140 possible 2178 273 L ALA C 1 C3H0s 0.770 1.610 3.119 9.039 8.858 1.020 possible 2179 273 L ALA O 16 O1H0u 0.660 1.420 17.929 -1.000 16.026 -1.000 bad 2180 273 L ALA CB 10 C4H3u 0.770 1.880 5.437 56.614 36.551 1.549 possible 2181 274 L ASN N 12 N3H1s 0.700 1.640 2.878 13.379 13.525 0.989 [OK] 2182 274 L ASN CA 3 C4H1s 0.770 1.880 7.823 27.343 13.052 2.095 possible 2183 274 L ASN C 1 C3H0s 0.770 1.610 3.808 9.726 8.853 1.099 possible 2184 274 L ASN O 16 O1H0u 0.660 1.420 21.923 -1.000 15.857 -1.000 bad 2185 274 L ASN CB 8 C4H2s 0.770 1.880 28.109 -1.000 22.756 -1.000 bad 2186 274 L ASN CG 2 C3H0b 0.770 1.610 2.210 -1.000 9.537 -1.000 bad 2187 274 L ASN OD1 16 O1H0u 0.660 1.420 31.302 -1.000 16.247 -1.000 bad 2188 274 L ASN ND2 15 N3H2u 0.700 1.640 26.240 -1.000 22.525 -1.000 bad 2189 275 L ILE N 12 N3H1s 0.700 1.640 3.880 14.539 13.493 1.077 possible 2190 275 L ILE CA 3 C4H1s 0.770 1.880 5.139 16.152 12.946 1.248 possible 2191 275 L ILE C 1 C3H0s 0.770 1.610 2.537 8.085 8.445 0.957 [OK] 2192 275 L ILE O 16 O1H0u 0.660 1.420 4.573 27.664 15.930 1.737 possible 2193 275 L ILE CB 4 C4H1b 0.770 1.880 3.231 14.936 14.146 1.056 possible 2194 275 L ILE CG1 9 C4H2b 0.770 1.880 16.726 -1.000 24.071 -1.000 bad 2195 275 L ILE CG2 10 C4H3u 0.770 1.880 4.102 39.836 35.763 1.114 possible 2196 275 L ILE CD1 10 C4H3u 0.770 1.880 24.313 -1.000 38.219 -1.000 bad 2197 276 L PRO N 11 N3H0u 0.700 1.640 2.771 8.181 8.650 0.946 [OK] 2198 276 L PRO CA 4 C4H1b 0.770 1.880 3.937 15.348 13.828 1.110 possible 2199 276 L PRO C 1 C3H0s 0.770 1.610 3.224 10.176 8.768 1.161 possible 2200 276 L PRO O 16 O1H0u 0.660 1.420 21.001 -1.000 15.856 -1.000 bad 2201 276 L PRO CB 9 C4H2b 0.770 1.880 30.464 -1.000 25.314 -1.000 bad 2202 276 L PRO CG 9 C4H2b 0.770 1.880 38.283 -1.000 25.480 -1.000 bad 2203 276 L PRO CD 8 C4H2s 0.770 1.880 22.484 -1.000 23.390 -1.000 bad 2204 277 L GLY N 12 N3H1s 0.700 1.640 3.203 16.322 14.480 1.127 possible 2205 277 L GLY CA 8 C4H2s 0.770 1.880 19.669 -1.000 23.470 -1.000 bad 2206 277 L GLY C 2 C3H0b 0.770 1.610 2.818 10.151 9.652 1.052 [OK] 2207 277 L GLY O 16 O1H0u 0.660 1.420 2.485 14.530 16.154 0.899 [OK] 2208 278 L GLY N 12 N3H1s 0.700 1.640 6.707 31.066 14.480 2.145 possible 2209 278 L GLY CA 8 C4H2s 0.770 1.880 3.150 23.816 23.470 1.015 possible 2210 278 L GLY C 2 C3H0b 0.770 1.610 3.394 11.251 9.652 1.166 possible 2211 278 L GLY O 16 O1H0u 0.660 1.420 17.669 -1.000 16.154 -1.000 bad 2212 279 L ILE N 12 N3H1s 0.700 1.640 2.844 12.810 13.493 0.949 [OK] 2213 279 L ILE CA 3 C4H1s 0.770 1.880 4.468 15.691 12.946 1.212 possible 2214 279 L ILE C 1 C3H0s 0.770 1.610 2.567 8.470 8.445 1.003 [OK] 2215 279 L ILE O 16 O1H0u 0.660 1.420 24.453 -1.000 15.930 -1.000 bad 2216 279 L ILE CB 4 C4H1b 0.770 1.880 2.528 12.751 14.146 0.901 [OK] 2217 279 L ILE CG1 9 C4H2b 0.770 1.880 3.152 20.765 24.071 0.863 possible 2218 279 L ILE CG2 10 C4H3u 0.770 1.880 30.015 -1.000 35.763 -1.000 bad 2219 279 L ILE CD1 10 C4H3u 0.770 1.880 32.568 -1.000 38.219 -1.000 bad 2220 280 L ASN N 12 N3H1s 0.700 1.640 2.240 11.652 13.525 0.861 [OK] 2221 280 L ASN CA 3 C4H1s 0.770 1.880 8.341 -1.000 13.052 -1.000 bad 2222 280 L ASN C 1 C3H0s 0.770 1.610 1.714 -1.000 8.853 -1.000 bad 2223 280 L ASN O 16 O1H0u 0.660 1.420 11.501 -1.000 15.857 -1.000 bad 2224 280 L ASN CB 8 C4H2s 0.770 1.880 4.692 29.313 22.756 1.288 possible 2225 280 L ASN CG 2 C3H0b 0.770 1.610 2.680 8.755 9.537 0.918 [OK] 2226 280 L ASN OD1 16 O1H0u 0.660 1.420 23.030 -1.000 16.247 -1.000 bad 2227 280 L ASN ND2 15 N3H2u 0.700 1.640 2.863 21.410 22.525 0.951 [OK] 2228 281 L GLY N 12 N3H1s 0.700 1.640 2.336 -1.000 14.480 -1.000 bad 2229 281 L GLY CA 8 C4H2s 0.770 1.880 19.043 -1.000 23.470 -1.000 bad 2230 281 L GLY C 2 C3H0b 0.770 1.610 3.634 -1.000 9.652 -1.000 bad 2231 281 L GLY O 16 O1H0u 0.660 1.420 31.826 -1.000 16.154 -1.000 bad 2232 281 L GLY OXT 16 O1H0u 0.660 1.420 20.244 -1.000 1.420 -1.000 bad 2234 1 M ALA N 12 N3H1s 0.700 1.640 42.266 -1.000 13.872 -1.000 bad 2235 1 M ALA CA 4 C4H1b 0.770 1.880 15.275 -1.000 13.959 -1.000 bad 2236 1 M ALA C 1 C3H0s 0.770 1.610 2.826 9.400 8.858 1.061 [OK] 2237 1 M ALA O 16 O1H0u 0.660 1.420 3.377 22.772 16.026 1.421 possible 2238 1 M ALA CB 10 C4H3u 0.770 1.880 50.574 -1.000 36.551 -1.000 bad 2239 2 M GLU N 12 N3H1s 0.700 1.640 5.863 44.743 13.461 3.324 possible 2240 2 M GLU CA 3 C4H1s 0.770 1.880 3.345 18.070 13.284 1.360 possible 2241 2 M GLU C 1 C3H0s 0.770 1.610 2.545 8.795 8.631 1.019 [OK] 2242 2 M GLU O 16 O1H0u 0.660 1.420 5.012 40.603 15.765 2.575 possible 2243 2 M GLU CB 8 C4H2s 0.770 1.880 5.236 54.739 23.214 2.358 possible 2244 2 M GLU CG 8 C4H2s 0.770 1.880 3.544 35.268 23.304 1.513 possible 2245 2 M GLU CD 2 C3H0b 0.770 1.610 3.230 10.675 9.437 1.131 possible 2246 2 M GLU OE1 16 O1H0u 0.660 1.420 3.333 28.168 15.497 1.818 possible 2247 2 M GLU OE2 16 O1H0u 0.660 1.420 2.784 18.045 16.213 1.113 [OK] 2248 3 M TYR N 12 N3H1s 0.700 1.640 2.850 15.448 13.473 1.147 [OK] 2249 3 M TYR CA 3 C4H1s 0.770 1.880 3.696 17.116 13.249 1.292 possible 2250 3 M TYR C 1 C3H0s 0.770 1.610 2.472 8.841 8.714 1.015 [OK] 2251 3 M TYR O 16 O1H0u 0.660 1.420 3.179 28.318 15.901 1.781 possible 2252 3 M TYR CB 8 C4H2s 0.770 1.880 3.227 27.464 23.426 1.172 possible 2253 3 M TYR CG 2 C3H0b 0.770 1.610 2.801 9.557 9.695 0.986 [OK] 2254 3 M TYR CD1 5 C3H1s 0.770 1.760 3.781 27.084 20.057 1.350 possible 2255 3 M TYR CD2 5 C3H1s 0.770 1.760 3.148 22.272 20.578 1.082 possible 2256 3 M TYR CE1 5 C3H1s 0.770 1.760 3.066 19.924 20.534 0.970 possible 2257 3 M TYR CE2 5 C3H1s 0.770 1.760 3.276 25.707 20.577 1.249 possible 2258 3 M TYR CZ 2 C3H0b 0.770 1.610 2.458 8.873 9.888 0.897 [OK] 2259 3 M TYR OH 17 O2H1u 0.660 1.460 2.958 20.303 18.541 1.095 [OK] 2260 4 M GLN N 12 N3H1s 0.700 1.640 2.662 13.665 13.449 1.016 [OK] 2261 4 M GLN CA 3 C4H1s 0.770 1.880 3.011 12.495 13.231 0.944 possible 2262 4 M GLN C 1 C3H0s 0.770 1.610 3.198 9.809 8.744 1.122 possible 2263 4 M GLN O 16 O1H0u 0.660 1.420 3.232 19.707 15.767 1.250 possible 2264 4 M GLN CB 8 C4H2s 0.770 1.880 3.873 21.905 23.059 0.950 possible 2265 4 M GLN CG 8 C4H2s 0.770 1.880 7.971 90.084 23.218 3.880 possible 2266 4 M GLN CD 2 C3H0b 0.770 1.610 5.041 14.768 9.618 1.535 possible 2267 4 M GLN OE1 16 O1H0u 0.660 1.420 6.817 66.858 16.571 4.035 possible 2268 4 M GLN NE2 15 N3H2u 0.700 1.640 4.651 28.474 23.255 1.224 possible 2269 5 M ASN N 12 N3H1s 0.700 1.640 2.772 13.113 13.525 0.970 [OK] 2270 5 M ASN CA 3 C4H1s 0.770 1.880 2.641 11.980 13.052 0.918 [OK] 2271 5 M ASN C 1 C3H0s 0.770 1.610 2.379 8.692 8.853 0.982 [OK] 2272 5 M ASN O 16 O1H0u 0.660 1.420 2.421 15.036 15.857 0.948 [OK] 2273 5 M ASN CB 8 C4H2s 0.770 1.880 3.825 31.523 22.756 1.385 possible 2274 5 M ASN CG 2 C3H0b 0.770 1.610 2.688 10.232 9.537 1.073 [OK] 2275 5 M ASN OD1 16 O1H0u 0.660 1.420 2.493 14.953 16.247 0.920 [OK] 2276 5 M ASN ND2 15 N3H2u 0.700 1.640 2.854 28.054 22.525 1.245 [OK] 2277 6 M ILE N 12 N3H1s 0.700 1.640 2.414 10.803 13.493 0.801 [OK] 2278 6 M ILE CA 3 C4H1s 0.770 1.880 3.075 13.153 12.946 1.016 possible 2279 6 M ILE C 1 C3H0s 0.770 1.610 2.212 7.796 8.445 0.923 [OK] 2280 6 M ILE O 16 O1H0u 0.660 1.420 2.411 16.011 15.930 1.005 [OK] 2281 6 M ILE CB 4 C4H1b 0.770 1.880 5.361 18.469 14.146 1.306 possible 2282 6 M ILE CG1 9 C4H2b 0.770 1.880 5.429 40.165 24.071 1.669 possible 2283 6 M ILE CG2 10 C4H3u 0.770 1.880 6.561 65.283 35.763 1.825 possible 2284 6 M ILE CD1 10 C4H3u 0.770 1.880 6.920 74.722 38.219 1.955 possible 2285 7 M PHE N 12 N3H1s 0.700 1.640 2.479 12.634 13.524 0.934 [OK] 2286 7 M PHE CA 3 C4H1s 0.770 1.880 2.598 11.968 13.371 0.895 [OK] 2287 7 M PHE C 1 C3H0s 0.770 1.610 2.279 8.406 8.697 0.966 [OK] 2288 7 M PHE O 16 O1H0u 0.660 1.420 2.731 16.684 15.961 1.045 [OK] 2289 7 M PHE CB 8 C4H2s 0.770 1.880 6.530 41.819 23.623 1.770 possible 2290 7 M PHE CG 2 C3H0b 0.770 1.610 4.315 12.217 9.684 1.262 possible 2291 7 M PHE CD1 5 C3H1s 0.770 1.760 2.784 18.769 20.325 0.923 [OK] 2292 7 M PHE CD2 6 C3H1b 0.770 1.760 19.672 -1.000 20.948 -1.000 bad 2293 7 M PHE CE1 6 C3H1b 0.770 1.760 2.898 19.035 21.532 0.884 [OK] 2294 7 M PHE CE2 6 C3H1b 0.770 1.760 25.741 -1.000 21.625 -1.000 bad 2295 7 M PHE CZ 6 C3H1b 0.770 1.760 13.838 -1.000 21.555 -1.000 bad 2296 8 M SER N 12 N3H1s 0.700 1.640 2.573 13.521 13.808 0.979 [OK] 2297 8 M SER CA 3 C4H1s 0.770 1.880 3.278 15.128 13.351 1.133 possible 2298 8 M SER C 1 C3H0s 0.770 1.610 2.817 8.787 8.858 0.992 [OK] 2299 8 M SER O 16 O1H0u 0.660 1.420 5.641 31.408 15.860 1.980 possible 2300 8 M SER CB 8 C4H2s 0.770 1.880 3.137 29.804 23.599 1.263 possible 2301 8 M SER OG 17 O2H1u 0.660 1.460 3.278 26.491 18.021 1.470 possible 2302 9 M GLN N 12 N3H1s 0.700 1.640 3.558 19.545 13.449 1.453 possible 2303 9 M GLN CA 3 C4H1s 0.770 1.880 5.804 22.283 13.231 1.684 possible 2304 9 M GLN C 1 C3H0s 0.770 1.610 2.715 10.173 8.744 1.163 [OK] 2305 9 M GLN O 16 O1H0u 0.660 1.420 3.701 19.791 15.767 1.255 possible 2306 9 M GLN CB 8 C4H2s 0.770 1.880 5.788 47.387 23.059 2.055 possible 2307 9 M GLN CG 8 C4H2s 0.770 1.880 3.594 30.754 23.218 1.325 possible 2308 9 M GLN CD 2 C3H0b 0.770 1.610 2.721 9.873 9.618 1.027 [OK] 2309 9 M GLN OE1 16 O1H0u 0.660 1.420 4.149 27.973 16.571 1.688 possible 2310 9 M GLN NE2 15 N3H2u 0.700 1.640 3.005 25.314 23.255 1.089 possible 2311 10 M VAL N 12 N3H1s 0.700 1.640 3.349 17.845 13.553 1.317 possible 2312 10 M VAL CA 3 C4H1s 0.770 1.880 2.863 14.275 13.078 1.092 [OK] 2313 10 M VAL C 1 C3H0s 0.770 1.610 2.777 8.779 8.528 1.029 [OK] 2314 10 M VAL O 16 O1H0u 0.660 1.420 3.281 21.256 15.998 1.329 possible 2315 10 M VAL CB 4 C4H1b 0.770 1.880 3.434 18.864 14.514 1.300 possible 2316 10 M VAL CG1 10 C4H3u 0.770 1.880 3.287 38.462 36.320 1.059 possible 2317 10 M VAL CG2 10 C4H3u 0.770 1.880 3.348 36.710 36.173 1.015 possible 2318 11 M GLN N 12 N3H1s 0.700 1.640 2.860 14.589 13.449 1.085 [OK] 2319 11 M GLN CA 3 C4H1s 0.770 1.880 3.030 13.420 13.231 1.014 possible 2320 11 M GLN C 1 C3H0s 0.770 1.610 2.661 9.419 8.744 1.077 [OK] 2321 11 M GLN O 16 O1H0u 0.660 1.420 2.393 14.966 15.767 0.949 [OK] 2322 11 M GLN CB 8 C4H2s 0.770 1.880 3.071 20.448 23.059 0.887 possible 2323 11 M GLN CG 8 C4H2s 0.770 1.880 3.435 26.821 23.218 1.155 possible 2324 11 M GLN CD 2 C3H0b 0.770 1.610 2.664 9.472 9.618 0.985 [OK] 2325 11 M GLN OE1 16 O1H0u 0.660 1.420 3.208 22.865 16.571 1.380 possible 2326 11 M GLN NE2 15 N3H2u 0.700 1.640 2.784 20.443 23.255 0.879 [OK] 2327 12 M VAL N 12 N3H1s 0.700 1.640 2.664 14.113 13.553 1.041 [OK] 2328 12 M VAL CA 3 C4H1s 0.770 1.880 2.528 12.785 13.078 0.978 [OK] 2329 12 M VAL C 1 C3H0s 0.770 1.610 2.564 8.340 8.528 0.978 [OK] 2330 12 M VAL O 16 O1H0u 0.660 1.420 3.365 27.608 15.998 1.726 possible 2331 12 M VAL CB 4 C4H1b 0.770 1.880 2.940 16.467 14.514 1.135 [OK] 2332 12 M VAL CG1 10 C4H3u 0.770 1.880 3.012 36.888 36.320 1.016 possible 2333 12 M VAL CG2 10 C4H3u 0.770 1.880 3.093 43.630 36.173 1.206 possible 2334 13 M ARG N 12 N3H1s 0.700 1.640 2.499 13.561 13.486 1.006 [OK] 2335 13 M ARG CA 3 C4H1s 0.770 1.880 3.373 14.781 13.310 1.111 possible 2336 13 M ARG C 1 C3H0s 0.770 1.610 2.551 9.498 8.779 1.082 [OK] 2337 13 M ARG O 16 O1H0u 0.660 1.420 2.252 13.931 15.916 0.875 [OK] 2338 13 M ARG CB 8 C4H2s 0.770 1.880 3.686 23.518 22.833 1.030 possible 2339 13 M ARG CG 8 C4H2s 0.770 1.880 3.920 27.195 23.273 1.169 possible 2340 13 M ARG CD 8 C4H2s 0.770 1.880 3.702 27.884 22.849 1.220 possible 2341 13 M ARG NE 13 N3H1b 0.700 1.640 3.451 19.802 15.019 1.318 possible 2342 13 M ARG CZ 2 C3H0b 0.770 1.610 3.858 10.746 9.678 1.110 possible 2343 13 M ARG NH1 15 N3H2u 0.700 1.640 15.025 -1.000 22.056 -1.000 bad 2344 13 M ARG NH2 15 N3H2u 0.700 1.640 4.139 35.985 23.132 1.556 possible 2345 14 M GLY N 12 N3H1s 0.700 1.640 2.696 13.970 14.480 0.965 [OK] 2346 14 M GLY CA 8 C4H2s 0.770 1.880 2.940 20.247 23.470 0.863 [OK] 2347 14 M GLY C 2 C3H0b 0.770 1.610 3.753 12.220 9.652 1.266 possible 2348 14 M GLY O 16 O1H0u 0.660 1.420 4.874 32.852 16.154 2.034 possible 2349 15 M PRO N 11 N3H0u 0.700 1.640 3.752 10.478 8.650 1.211 possible 2350 15 M PRO CA 4 C4H1b 0.770 1.880 9.053 -1.000 13.828 -1.000 bad 2351 15 M PRO C 1 C3H0s 0.770 1.610 2.670 8.460 8.768 0.965 [OK] 2352 15 M PRO O 16 O1H0u 0.660 1.420 5.274 28.840 15.856 1.819 possible 2353 15 M PRO CB 9 C4H2b 0.770 1.880 33.993 -1.000 25.314 -1.000 bad 2354 15 M PRO CG 9 C4H2b 0.770 1.880 32.398 -1.000 25.480 -1.000 bad 2355 15 M PRO CD 8 C4H2s 0.770 1.880 5.002 28.309 23.390 1.210 possible 2356 16 M ALA N 12 N3H1s 0.700 1.640 5.384 -1.000 13.872 -1.000 bad 2357 16 M ALA CA 4 C4H1b 0.770 1.880 3.040 15.394 13.959 1.103 possible 2358 16 M ALA C 1 C3H0s 0.770 1.610 2.509 8.406 8.858 0.949 [OK] 2359 16 M ALA O 16 O1H0u 0.660 1.420 6.462 47.350 16.026 2.955 possible 2360 16 M ALA CB 10 C4H3u 0.770 1.880 18.821 -1.000 36.551 -1.000 bad 2361 17 M ASP N 12 N3H1s 0.700 1.640 2.507 14.109 13.654 1.033 [OK] 2362 17 M ASP CA 3 C4H1s 0.770 1.880 5.413 20.302 13.254 1.532 possible 2363 17 M ASP C 1 C3H0s 0.770 1.610 2.526 8.921 8.750 1.020 [OK] 2364 17 M ASP O 16 O1H0u 0.660 1.420 2.608 17.014 15.757 1.080 [OK] 2365 17 M ASP CB 8 C4H2s 0.770 1.880 3.457 27.451 23.022 1.192 possible 2366 17 M ASP CG 2 C3H0b 0.770 1.610 4.935 13.511 9.336 1.447 possible 2367 17 M ASP OD1 16 O1H0u 0.660 1.420 4.395 22.231 15.078 1.474 possible 2368 17 M ASP OD2 16 O1H0u 0.660 1.420 4.516 26.103 15.582 1.675 possible 2369 18 M LEU N 12 N3H1s 0.700 1.640 5.290 25.750 13.517 1.905 possible 2370 18 M LEU CA 3 C4H1s 0.770 1.880 2.816 14.052 13.055 1.076 [OK] 2371 18 M LEU C 1 C3H0s 0.770 1.610 2.762 9.742 8.781 1.109 [OK] 2372 18 M LEU O 16 O1H0u 0.660 1.420 3.505 27.609 15.957 1.730 possible 2373 18 M LEU CB 8 C4H2s 0.770 1.880 5.113 49.088 22.818 2.151 possible 2374 18 M LEU CG 4 C4H1b 0.770 1.880 3.580 16.233 14.704 1.104 possible 2375 18 M LEU CD1 10 C4H3u 0.770 1.880 62.442 -1.000 37.235 -1.000 bad 2376 18 M LEU CD2 10 C4H3u 0.770 1.880 24.457 -1.000 37.020 -1.000 bad 2377 19 M GLY N 12 N3H1s 0.700 1.640 4.168 17.865 14.480 1.234 possible 2378 19 M GLY CA 8 C4H2s 0.770 1.880 3.275 25.311 23.470 1.078 possible 2379 19 M GLY C 2 C3H0b 0.770 1.610 2.571 10.335 9.652 1.071 [OK] 2380 19 M GLY O 16 O1H0u 0.660 1.420 4.629 32.207 16.154 1.994 possible 2381 20 M MET N 12 N3H1s 0.700 1.640 2.877 14.537 13.405 1.084 [OK] 2382 20 M MET CA 3 C4H1s 0.770 1.880 3.067 14.471 13.194 1.097 possible 2383 20 M MET C 1 C3H0s 0.770 1.610 2.473 8.317 8.756 0.950 [OK] 2384 20 M MET O 16 O1H0u 0.660 1.420 2.373 15.734 16.002 0.983 [OK] 2385 20 M MET CB 8 C4H2s 0.770 1.880 3.088 26.067 23.418 1.113 possible 2386 20 M MET CG 9 C4H2b 0.770 1.880 3.145 22.970 23.830 0.964 possible 2387 20 M MET SD 19 S2H0u 1.040 1.770 2.878 28.414 30.207 0.941 [OK] 2388 20 M MET CE 10 C4H3u 0.770 1.880 6.607 64.358 37.003 1.739 possible 2389 21 M THR N 12 N3H1s 0.700 1.640 4.086 22.379 13.544 1.652 possible 2390 21 M THR CA 3 C4H1s 0.770 1.880 2.671 13.500 13.025 1.036 [OK] 2391 21 M THR C 1 C3H0s 0.770 1.610 2.914 9.818 8.685 1.130 [OK] 2392 21 M THR O 16 O1H0u 0.660 1.420 13.438 -1.000 15.795 -1.000 bad 2393 21 M THR CB 4 C4H1b 0.770 1.880 7.917 40.765 14.687 2.776 possible 2394 21 M THR OG1 17 O2H1u 0.660 1.460 17.026 -1.000 17.610 -1.000 bad 2395 21 M THR CG2 10 C4H3u 0.770 1.880 23.867 -1.000 36.265 -1.000 bad 2396 22 M GLU N 12 N3H1s 0.700 1.640 2.924 17.394 13.461 1.292 [OK] 2397 22 M GLU CA 3 C4H1s 0.770 1.880 4.360 16.764 13.284 1.262 possible 2398 22 M GLU C 1 C3H0s 0.770 1.610 2.802 8.827 8.631 1.023 [OK] 2399 22 M GLU O 16 O1H0u 0.660 1.420 18.098 -1.000 15.765 -1.000 bad 2400 22 M GLU CB 8 C4H2s 0.770 1.880 2.879 20.067 23.214 0.864 [OK] 2401 22 M GLU CG 8 C4H2s 0.770 1.880 4.322 37.486 23.304 1.609 possible 2402 22 M GLU CD 2 C3H0b 0.770 1.610 4.760 13.477 9.437 1.428 possible 2403 22 M GLU OE1 16 O1H0u 0.660 1.420 5.641 36.886 15.497 2.380 possible 2404 22 M GLU OE2 16 O1H0u 0.660 1.420 20.431 -1.000 16.213 -1.000 bad 2405 23 M ASP N 12 N3H1s 0.700 1.640 2.482 12.112 13.654 0.887 [OK] 2406 23 M ASP CA 3 C4H1s 0.770 1.880 7.311 23.119 13.254 1.744 possible 2407 23 M ASP C 1 C3H0s 0.770 1.610 3.538 10.592 8.750 1.211 possible 2408 23 M ASP O 16 O1H0u 0.660 1.420 14.677 -1.000 15.757 -1.000 bad 2409 23 M ASP CB 8 C4H2s 0.770 1.880 21.166 -1.000 23.022 -1.000 bad 2410 23 M ASP CG 2 C3H0b 0.770 1.610 3.558 -1.000 9.336 -1.000 bad 2411 23 M ASP OD1 16 O1H0u 0.660 1.420 24.342 -1.000 15.078 -1.000 bad 2412 23 M ASP OD2 16 O1H0u 0.660 1.420 25.248 -1.000 15.582 -1.000 bad 2413 24 M VAL N 12 N3H1s 0.700 1.640 2.809 15.237 13.553 1.124 [OK] 2414 24 M VAL CA 3 C4H1s 0.770 1.880 2.941 15.449 13.078 1.181 [OK] 2415 24 M VAL C 1 C3H0s 0.770 1.610 2.112 7.237 8.528 0.849 [OK] 2416 24 M VAL O 16 O1H0u 0.660 1.420 5.901 35.644 15.998 2.228 possible 2417 24 M VAL CB 4 C4H1b 0.770 1.880 2.908 14.181 14.514 0.977 [OK] 2418 24 M VAL CG1 10 C4H3u 0.770 1.880 2.927 27.944 36.320 0.769 [OK] 2419 24 M VAL CG2 10 C4H3u 0.770 1.880 2.841 34.843 36.173 0.963 [OK] 2420 25 M ASN N 12 N3H1s 0.700 1.640 2.993 14.977 13.525 1.107 [OK] 2421 25 M ASN CA 3 C4H1s 0.770 1.880 4.931 22.648 13.052 1.735 possible 2422 25 M ASN C 1 C3H0s 0.770 1.610 2.069 7.275 8.853 0.822 [OK] 2423 25 M ASN O 16 O1H0u 0.660 1.420 2.218 13.665 15.857 0.862 [OK] 2424 25 M ASN CB 8 C4H2s 0.770 1.880 13.206 -1.000 22.756 -1.000 bad 2425 25 M ASN CG 2 C3H0b 0.770 1.610 3.840 10.705 9.537 1.122 possible 2426 25 M ASN OD1 16 O1H0u 0.660 1.420 2.436 11.908 16.247 0.733 [OK] 2427 25 M ASN ND2 15 N3H2u 0.700 1.640 32.200 -1.000 22.525 -1.000 bad 2428 26 M LEU N 12 N3H1s 0.700 1.640 4.143 16.981 13.517 1.256 possible 2429 26 M LEU CA 3 C4H1s 0.770 1.880 2.874 13.541 13.055 1.037 [OK] 2430 26 M LEU C 1 C3H0s 0.770 1.610 4.054 9.247 8.781 1.053 possible 2431 26 M LEU O 16 O1H0u 0.660 1.420 13.832 -1.000 15.957 -1.000 bad 2432 26 M LEU CB 8 C4H2s 0.770 1.880 18.473 -1.000 22.818 -1.000 bad 2433 26 M LEU CG 4 C4H1b 0.770 1.880 5.391 33.021 14.704 2.246 possible 2434 26 M LEU CD1 10 C4H3u 0.770 1.880 3.287 31.447 37.235 0.845 possible 2435 26 M LEU CD2 10 C4H3u 0.770 1.880 44.535 -1.000 37.020 -1.000 bad 2436 27 M ALA N 12 N3H1s 0.700 1.640 5.400 17.734 13.872 1.278 possible 2437 27 M ALA CA 4 C4H1b 0.770 1.880 13.479 -1.000 13.959 -1.000 bad 2438 27 M ALA C 1 C3H0s 0.770 1.610 2.968 8.937 8.858 1.009 [OK] 2439 27 M ALA O 16 O1H0u 0.660 1.420 27.959 -1.000 16.026 -1.000 bad 2440 27 M ALA CB 10 C4H3u 0.770 1.880 39.302 -1.000 36.551 -1.000 bad 2441 28 M ASN N 12 N3H1s 0.700 1.640 2.484 12.700 13.525 0.939 [OK] 2442 28 M ASN CA 3 C4H1s 0.770 1.880 4.127 14.923 13.052 1.143 possible 2443 28 M ASN C 1 C3H0s 0.770 1.610 2.494 8.936 8.853 1.009 [OK] 2444 28 M ASN O 16 O1H0u 0.660 1.420 7.654 48.330 15.857 3.048 possible 2445 28 M ASN CB 8 C4H2s 0.770 1.880 2.763 18.771 22.756 0.825 [OK] 2446 28 M ASN CG 2 C3H0b 0.770 1.610 2.513 10.010 9.537 1.050 [OK] 2447 28 M ASN OD1 16 O1H0u 0.660 1.420 29.911 -1.000 16.247 -1.000 bad 2448 28 M ASN ND2 15 N3H2u 0.700 1.640 6.101 53.117 22.525 2.358 possible 2449 29 M ARG N 12 N3H1s 0.700 1.640 2.486 14.799 13.486 1.097 [OK] 2450 29 M ARG CA 3 C4H1s 0.770 1.880 2.653 12.355 13.310 0.928 [OK] 2451 29 M ARG C 1 C3H0s 0.770 1.610 2.516 8.361 8.779 0.952 [OK] 2452 29 M ARG O 16 O1H0u 0.660 1.420 7.363 65.039 15.916 4.086 possible 2453 29 M ARG CB 8 C4H2s 0.770 1.880 4.445 35.452 22.833 1.553 possible 2454 29 M ARG CG 8 C4H2s 0.770 1.880 2.878 22.289 23.273 0.958 [OK] 2455 29 M ARG CD 8 C4H2s 0.770 1.880 3.630 25.047 22.849 1.096 possible 2456 29 M ARG NE 13 N3H1b 0.700 1.640 3.994 25.212 15.019 1.679 possible 2457 29 M ARG CZ 2 C3H0b 0.770 1.610 2.722 9.850 9.678 1.018 [OK] 2458 29 M ARG NH1 15 N3H2u 0.700 1.640 2.592 18.766 22.056 0.851 [OK] 2459 29 M ARG NH2 15 N3H2u 0.700 1.640 3.437 25.842 23.132 1.117 possible 2460 30 M SER N 12 N3H1s 0.700 1.640 2.915 14.173 13.808 1.026 [OK] 2461 30 M SER CA 3 C4H1s 0.770 1.880 10.388 -1.000 13.351 -1.000 bad 2462 30 M SER C 1 C3H0s 0.770 1.610 5.892 13.481 8.858 1.522 possible 2463 30 M SER O 16 O1H0u 0.660 1.420 12.904 -1.000 15.860 -1.000 bad 2464 30 M SER CB 8 C4H2s 0.770 1.880 23.907 -1.000 23.599 -1.000 bad 2465 30 M SER OG 17 O2H1u 0.660 1.460 3.838 -1.000 18.021 -1.000 bad 2466 31 M GLY N 12 N3H1s 0.700 1.640 9.582 -1.000 14.480 -1.000 bad 2467 31 M GLY CA 8 C4H2s 0.770 1.880 33.725 -1.000 23.470 -1.000 bad 2468 31 M GLY C 2 C3H0b 0.770 1.610 3.237 9.724 9.652 1.007 possible 2469 31 M GLY O 16 O1H0u 0.660 1.420 10.695 -1.000 16.154 -1.000 bad 2470 32 M VAL N 12 N3H1s 0.700 1.640 3.528 -1.000 13.553 -1.000 bad 2471 32 M VAL CA 3 C4H1s 0.770 1.880 2.769 13.246 13.078 1.013 [OK] 2472 32 M VAL C 1 C3H0s 0.770 1.610 2.484 7.912 8.528 0.928 [OK] 2473 32 M VAL O 16 O1H0u 0.660 1.420 26.071 -1.000 15.998 -1.000 bad 2474 32 M VAL CB 4 C4H1b 0.770 1.880 9.902 -1.000 14.514 -1.000 bad 2475 32 M VAL CG1 10 C4H3u 0.770 1.880 5.889 39.412 36.320 1.085 possible 2476 32 M VAL CG2 10 C4H3u 0.770 1.880 7.649 47.517 36.173 1.314 possible 2477 33 M GLY N 12 N3H1s 0.700 1.640 3.488 15.522 14.480 1.072 possible 2478 33 M GLY CA 8 C4H2s 0.770 1.880 7.890 64.421 23.470 2.745 possible 2479 33 M GLY C 2 C3H0b 0.770 1.610 5.103 12.887 9.652 1.335 possible 2480 33 M GLY O 16 O1H0u 0.660 1.420 7.116 29.209 16.154 1.808 possible 2481 34 M PRO N 11 N3H0u 0.700 1.640 1.841 -1.000 8.650 -1.000 bad 2482 34 M PRO CA 4 C4H1b 0.770 1.880 10.500 -1.000 13.828 -1.000 bad 2483 34 M PRO C 1 C3H0s 0.770 1.610 2.517 8.551 8.768 0.975 [OK] 2484 34 M PRO O 16 O1H0u 0.660 1.420 2.461 16.373 15.856 1.033 [OK] 2485 34 M PRO CB 9 C4H2b 0.770 1.880 32.984 -1.000 25.314 -1.000 bad 2486 34 M PRO CG 9 C4H2b 0.770 1.880 24.468 -1.000 25.480 -1.000 bad 2487 34 M PRO CD 8 C4H2s 0.770 1.880 28.562 -1.000 23.390 -1.000 bad 2488 35 M PHE N 12 N3H1s 0.700 1.640 4.860 22.655 13.524 1.675 possible 2489 35 M PHE CA 3 C4H1s 0.770 1.880 2.561 12.622 13.371 0.944 [OK] 2490 35 M PHE C 1 C3H0s 0.770 1.610 3.590 10.316 8.697 1.186 possible 2491 35 M PHE O 16 O1H0u 0.660 1.420 18.240 -1.000 15.961 -1.000 bad 2492 35 M PHE CB 8 C4H2s 0.770 1.880 3.077 19.681 23.623 0.833 possible 2493 35 M PHE CG 2 C3H0b 0.770 1.610 2.598 9.979 9.684 1.030 [OK] 2494 35 M PHE CD1 5 C3H1s 0.770 1.760 5.356 30.007 20.325 1.476 possible 2495 35 M PHE CD2 6 C3H1b 0.770 1.760 3.890 25.348 20.948 1.210 possible 2496 35 M PHE CE1 6 C3H1b 0.770 1.760 15.573 -1.000 21.532 -1.000 bad 2497 35 M PHE CE2 6 C3H1b 0.770 1.760 3.558 28.812 21.625 1.332 possible 2498 35 M PHE CZ 6 C3H1b 0.770 1.760 4.953 29.959 21.555 1.390 possible 2499 36 M SER N 12 N3H1s 0.700 1.640 3.651 16.481 13.808 1.194 possible 2500 36 M SER CA 3 C4H1s 0.770 1.880 6.615 24.311 13.351 1.821 possible 2501 36 M SER C 1 C3H0s 0.770 1.610 2.487 8.393 8.858 0.948 [OK] 2502 36 M SER O 16 O1H0u 0.660 1.420 2.374 13.787 15.860 0.869 [OK] 2503 36 M SER CB 8 C4H2s 0.770 1.880 6.384 41.261 23.599 1.748 possible 2504 36 M SER OG 17 O2H1u 0.660 1.460 5.939 -1.000 18.021 -1.000 bad 2505 37 M THR N 12 N3H1s 0.700 1.640 7.240 24.931 13.544 1.841 possible 2506 37 M THR CA 3 C4H1s 0.770 1.880 2.808 13.360 13.025 1.026 [OK] 2507 37 M THR C 1 C3H0s 0.770 1.610 3.184 8.787 8.685 1.012 possible 2508 37 M THR O 16 O1H0u 0.660 1.420 2.445 13.362 15.795 0.846 [OK] 2509 37 M THR CB 4 C4H1b 0.770 1.880 13.624 -1.000 14.687 -1.000 bad 2510 37 M THR OG1 17 O2H1u 0.660 1.460 19.248 -1.000 17.610 -1.000 bad 2511 37 M THR CG2 10 C4H3u 0.770 1.880 12.534 -1.000 36.265 -1.000 bad 2512 38 M LEU N 12 N3H1s 0.700 1.640 5.595 24.715 13.517 1.828 possible 2513 38 M LEU CA 3 C4H1s 0.770 1.880 4.663 15.277 13.055 1.170 possible 2514 38 M LEU C 1 C3H0s 0.770 1.610 2.512 7.882 8.781 0.898 [OK] 2515 38 M LEU O 16 O1H0u 0.660 1.420 2.298 13.614 15.957 0.853 [OK] 2516 38 M LEU CB 8 C4H2s 0.770 1.880 11.918 -1.000 22.818 -1.000 bad 2517 38 M LEU CG 4 C4H1b 0.770 1.880 3.169 15.133 14.704 1.029 possible 2518 38 M LEU CD1 10 C4H3u 0.770 1.880 28.697 -1.000 37.235 -1.000 bad 2519 38 M LEU CD2 10 C4H3u 0.770 1.880 53.584 -1.000 37.020 -1.000 bad 2520 39 M LEU N 12 N3H1s 0.700 1.640 2.560 11.361 13.517 0.840 [OK] 2521 39 M LEU CA 3 C4H1s 0.770 1.880 3.383 15.072 13.055 1.154 possible 2522 39 M LEU C 1 C3H0s 0.770 1.610 2.370 8.360 8.781 0.952 [OK] 2523 39 M LEU O 16 O1H0u 0.660 1.420 3.172 18.151 15.957 1.137 possible 2524 39 M LEU CB 8 C4H2s 0.770 1.880 3.219 22.729 22.818 0.996 possible 2525 39 M LEU CG 4 C4H1b 0.770 1.880 3.674 22.206 14.704 1.510 possible 2526 39 M LEU CD1 10 C4H3u 0.770 1.880 17.283 -1.000 37.235 -1.000 bad 2527 39 M LEU CD2 10 C4H3u 0.770 1.880 12.540 -1.000 37.020 -1.000 bad 2528 40 M GLY N 12 N3H1s 0.700 1.640 2.388 12.571 14.480 0.868 [OK] 2529 40 M GLY CA 8 C4H2s 0.770 1.880 2.697 21.812 23.470 0.929 [OK] 2530 40 M GLY C 2 C3H0b 0.770 1.610 2.203 8.671 9.652 0.898 [OK] 2531 40 M GLY O 16 O1H0u 0.660 1.420 2.678 17.955 16.154 1.111 [OK] 2532 41 M TRP N 12 N3H1s 0.700 1.640 2.242 11.766 13.639 0.863 [OK] 2533 41 M TRP CA 3 C4H1s 0.770 1.880 2.632 12.209 13.323 0.916 [OK] 2534 41 M TRP C 1 C3H0s 0.770 1.610 2.588 9.037 8.687 1.040 [OK] 2535 41 M TRP O 16 O1H0u 0.660 1.420 2.577 17.403 15.797 1.102 [OK] 2536 41 M TRP CB 8 C4H2s 0.770 1.880 3.697 22.384 23.826 0.939 possible 2537 41 M TRP CG 2 C3H0b 0.770 1.610 3.644 10.685 9.915 1.078 possible 2538 41 M TRP CD1 5 C3H1s 0.770 1.760 3.694 17.748 20.597 0.862 possible 2539 41 M TRP CD2 2 C3H0b 0.770 1.610 6.548 15.572 10.068 1.547 possible 2540 41 M TRP NE1 13 N3H1b 0.700 1.640 13.972 -1.000 16.723 -1.000 bad 2541 41 M TRP CE2 2 C3H0b 0.770 1.610 6.753 18.571 9.848 1.886 possible 2542 41 M TRP CE3 6 C3H1b 0.770 1.760 6.889 29.068 20.383 1.426 possible 2543 41 M TRP CZ2 6 C3H1b 0.770 1.760 16.926 -1.000 20.931 -1.000 bad 2544 41 M TRP CZ3 6 C3H1b 0.770 1.760 7.288 38.034 21.429 1.775 possible 2545 41 M TRP CH2 6 C3H1b 0.770 1.760 6.100 -1.000 21.219 -1.000 bad 2546 42 M PHE N 12 N3H1s 0.700 1.640 2.652 13.332 13.524 0.986 [OK] 2547 42 M PHE CA 3 C4H1s 0.770 1.880 2.813 13.066 13.371 0.977 [OK] 2548 42 M PHE C 1 C3H0s 0.770 1.610 2.754 9.412 8.697 1.082 [OK] 2549 42 M PHE O 16 O1H0u 0.660 1.420 2.819 19.569 15.961 1.226 [OK] 2550 42 M PHE CB 8 C4H2s 0.770 1.880 3.723 27.547 23.623 1.166 possible 2551 42 M PHE CG 2 C3H0b 0.770 1.610 2.683 10.151 9.684 1.048 [OK] 2552 42 M PHE CD1 5 C3H1s 0.770 1.760 2.827 19.220 20.325 0.946 [OK] 2553 42 M PHE CD2 6 C3H1b 0.770 1.760 3.287 23.648 20.948 1.129 possible 2554 42 M PHE CE1 6 C3H1b 0.770 1.760 3.389 26.394 21.532 1.226 possible 2555 42 M PHE CE2 6 C3H1b 0.770 1.760 3.123 23.496 21.625 1.087 possible 2556 42 M PHE CZ 6 C3H1b 0.770 1.760 2.970 21.532 21.555 0.999 [OK] 2557 43 M GLY N 12 N3H1s 0.700 1.640 3.451 18.016 14.480 1.244 possible 2558 43 M GLY CA 8 C4H2s 0.770 1.880 3.486 29.293 23.470 1.248 possible 2559 43 M GLY C 2 C3H0b 0.770 1.610 2.838 11.516 9.652 1.193 [OK] 2560 43 M GLY O 16 O1H0u 0.660 1.420 2.480 17.481 16.154 1.082 [OK] 2561 44 M ASN N 12 N3H1s 0.700 1.640 2.805 15.595 13.525 1.153 [OK] 2562 44 M ASN CA 3 C4H1s 0.770 1.880 2.756 12.525 13.052 0.960 [OK] 2563 44 M ASN C 1 C3H0s 0.770 1.610 2.241 8.683 8.853 0.981 [OK] 2564 44 M ASN O 16 O1H0u 0.660 1.420 2.575 16.994 15.857 1.072 [OK] 2565 44 M ASN CB 8 C4H2s 0.770 1.880 2.524 18.758 22.756 0.824 [OK] 2566 44 M ASN CG 2 C3H0b 0.770 1.610 2.513 10.020 9.537 1.051 [OK] 2567 44 M ASN OD1 16 O1H0u 0.660 1.420 2.929 26.398 16.247 1.625 [OK] 2568 44 M ASN ND2 15 N3H2u 0.700 1.640 3.505 36.663 22.525 1.628 possible 2569 45 M ALA N 12 N3H1s 0.700 1.640 3.103 17.238 13.872 1.243 possible 2570 45 M ALA CA 4 C4H1b 0.770 1.880 2.821 14.132 13.959 1.012 [OK] 2571 45 M ALA C 1 C3H0s 0.770 1.610 2.536 9.686 8.858 1.093 [OK] 2572 45 M ALA O 16 O1H0u 0.660 1.420 2.484 16.871 16.026 1.053 [OK] 2573 45 M ALA CB 10 C4H3u 0.770 1.880 3.978 48.942 36.551 1.339 possible 2574 46 M GLN N 12 N3H1s 0.700 1.640 3.200 16.653 13.449 1.238 possible 2575 46 M GLN CA 3 C4H1s 0.770 1.880 2.905 13.658 13.231 1.032 [OK] 2576 46 M GLN C 1 C3H0s 0.770 1.610 2.553 8.681 8.744 0.993 [OK] 2577 46 M GLN O 16 O1H0u 0.660 1.420 2.469 16.005 15.767 1.015 [OK] 2578 46 M GLN CB 8 C4H2s 0.770 1.880 3.207 23.121 23.059 1.003 possible 2579 46 M GLN CG 8 C4H2s 0.770 1.880 3.054 25.776 23.218 1.110 possible 2580 46 M GLN CD 2 C3H0b 0.770 1.610 2.497 10.222 9.618 1.063 [OK] 2581 46 M GLN OE1 16 O1H0u 0.660 1.420 2.757 20.145 16.571 1.216 [OK] 2582 46 M GLN NE2 15 N3H2u 0.700 1.640 2.652 23.490 23.255 1.010 [OK] 2583 47 M LEU N 12 N3H1s 0.700 1.640 2.576 12.940 13.517 0.957 [OK] 2584 47 M LEU CA 3 C4H1s 0.770 1.880 3.060 13.246 13.055 1.015 possible 2585 47 M LEU C 1 C3H0s 0.770 1.610 3.648 9.684 8.781 1.103 possible 2586 47 M LEU O 16 O1H0u 0.660 1.420 2.440 15.605 15.957 0.978 [OK] 2587 47 M LEU CB 8 C4H2s 0.770 1.880 9.506 -1.000 22.818 -1.000 bad 2588 47 M LEU CG 4 C4H1b 0.770 1.880 2.892 14.547 14.704 0.989 [OK] 2589 47 M LEU CD1 10 C4H3u 0.770 1.880 25.409 -1.000 37.235 -1.000 bad 2590 47 M LEU CD2 10 C4H3u 0.770 1.880 18.943 -1.000 37.020 -1.000 bad 2591 48 M GLY N 12 N3H1s 0.700 1.640 5.313 21.617 14.480 1.493 possible 2592 48 M GLY CA 8 C4H2s 0.770 1.880 5.843 38.963 23.470 1.660 possible 2593 48 M GLY C 2 C3H0b 0.770 1.610 2.607 10.358 9.652 1.073 [OK] 2594 48 M GLY O 16 O1H0u 0.660 1.420 2.406 16.219 16.154 1.004 [OK] 2595 49 M PRO N 11 N3H0u 0.700 1.640 2.405 8.204 8.650 0.948 [OK] 2596 49 M PRO CA 4 C4H1b 0.770 1.880 3.362 14.459 13.828 1.046 possible 2597 49 M PRO C 1 C3H0s 0.770 1.610 2.941 10.183 8.768 1.161 [OK] 2598 49 M PRO O 16 O1H0u 0.660 1.420 2.655 16.214 15.856 1.023 [OK] 2599 49 M PRO CB 9 C4H2b 0.770 1.880 2.967 24.319 25.314 0.961 [OK] 2600 49 M PRO CG 9 C4H2b 0.770 1.880 3.624 32.472 25.480 1.274 possible 2601 49 M PRO CD 8 C4H2s 0.770 1.880 2.873 25.256 23.390 1.080 [OK] 2602 50 M ILE N 12 N3H1s 0.700 1.640 3.201 14.699 13.493 1.089 possible 2603 50 M ILE CA 3 C4H1s 0.770 1.880 3.096 12.163 12.946 0.940 possible 2604 50 M ILE C 1 C3H0s 0.770 1.610 2.782 8.910 8.445 1.055 [OK] 2605 50 M ILE O 16 O1H0u 0.660 1.420 2.972 15.781 15.930 0.991 [OK] 2606 50 M ILE CB 4 C4H1b 0.770 1.880 4.060 15.962 14.146 1.128 possible 2607 50 M ILE CG1 9 C4H2b 0.770 1.880 2.990 22.059 24.071 0.916 [OK] 2608 50 M ILE CG2 10 C4H3u 0.770 1.880 22.284 -1.000 35.763 -1.000 bad 2609 50 M ILE CD1 10 C4H3u 0.770 1.880 22.431 -1.000 38.219 -1.000 bad 2610 51 M TYR N 12 N3H1s 0.700 1.640 2.814 14.598 13.473 1.084 [OK] 2611 51 M TYR CA 3 C4H1s 0.770 1.880 2.637 12.614 13.249 0.952 [OK] 2612 51 M TYR C 1 C3H0s 0.770 1.610 2.393 8.166 8.714 0.937 [OK] 2613 51 M TYR O 16 O1H0u 0.660 1.420 2.555 17.627 15.901 1.109 [OK] 2614 51 M TYR CB 8 C4H2s 0.770 1.880 3.005 22.038 23.426 0.941 possible 2615 51 M TYR CG 2 C3H0b 0.770 1.610 2.550 10.513 9.695 1.084 [OK] 2616 51 M TYR CD1 5 C3H1s 0.770 1.760 2.865 19.543 20.057 0.974 [OK] 2617 51 M TYR CD2 5 C3H1s 0.770 1.760 2.610 18.519 20.578 0.900 [OK] 2618 51 M TYR CE1 5 C3H1s 0.770 1.760 4.540 27.040 20.534 1.317 possible 2619 51 M TYR CE2 5 C3H1s 0.770 1.760 2.758 17.331 20.577 0.842 [OK] 2620 51 M TYR CZ 2 C3H0b 0.770 1.610 2.260 8.352 9.888 0.845 [OK] 2621 51 M TYR OH 17 O2H1u 0.660 1.460 5.911 38.665 18.541 2.085 possible 2622 52 M LEU N 12 N3H1s 0.700 1.640 3.111 16.612 13.517 1.229 possible 2623 52 M LEU CA 3 C4H1s 0.770 1.880 2.853 12.809 13.055 0.981 [OK] 2624 52 M LEU C 1 C3H0s 0.770 1.610 4.341 11.713 8.781 1.334 possible 2625 52 M LEU O 16 O1H0u 0.660 1.420 3.396 16.971 15.957 1.064 possible 2626 52 M LEU CB 8 C4H2s 0.770 1.880 14.457 -1.000 22.818 -1.000 bad 2627 52 M LEU CG 4 C4H1b 0.770 1.880 3.605 19.382 14.704 1.318 possible 2628 52 M LEU CD1 10 C4H3u 0.770 1.880 41.937 -1.000 37.235 -1.000 bad 2629 52 M LEU CD2 10 C4H3u 0.770 1.880 3.724 37.610 37.020 1.016 possible 2630 53 M GLY N 12 N3H1s 0.700 1.640 5.034 19.628 14.480 1.356 possible 2631 53 M GLY CA 8 C4H2s 0.770 1.880 4.840 41.111 23.470 1.752 possible 2632 53 M GLY C 2 C3H0b 0.770 1.610 4.441 11.943 9.652 1.237 possible 2633 53 M GLY O 16 O1H0u 0.660 1.420 2.555 12.062 16.154 0.747 [OK] 2634 54 M SER N 12 N3H1s 0.700 1.640 5.767 28.856 13.808 2.090 possible 2635 54 M SER CA 3 C4H1s 0.770 1.880 5.620 25.718 13.351 1.926 possible 2636 54 M SER C 1 C3H0s 0.770 1.610 3.240 8.813 8.858 0.995 possible 2637 54 M SER O 16 O1H0u 0.660 1.420 5.444 26.725 15.860 1.685 possible 2638 54 M SER CB 8 C4H2s 0.770 1.880 39.907 -1.000 23.599 -1.000 bad 2639 54 M SER OG 17 O2H1u 0.660 1.460 38.983 -1.000 18.021 -1.000 bad 2640 55 M LEU N 12 N3H1s 0.700 1.640 4.628 21.124 13.517 1.563 possible 2641 55 M LEU CA 3 C4H1s 0.770 1.880 2.985 13.559 13.055 1.039 [OK] 2642 55 M LEU C 1 C3H0s 0.770 1.610 2.714 8.728 8.781 0.994 [OK] 2643 55 M LEU O 16 O1H0u 0.660 1.420 2.574 17.249 15.957 1.081 [OK] 2644 55 M LEU CB 8 C4H2s 0.770 1.880 4.642 35.250 22.818 1.545 possible 2645 55 M LEU CG 4 C4H1b 0.770 1.880 2.933 14.968 14.704 1.018 [OK] 2646 55 M LEU CD1 10 C4H3u 0.770 1.880 42.534 -1.000 37.235 -1.000 bad 2647 55 M LEU CD2 10 C4H3u 0.770 1.880 7.387 55.327 37.020 1.495 possible 2648 56 M GLY N 12 N3H1s 0.700 1.640 2.375 12.008 14.480 0.829 [OK] 2649 56 M GLY CA 8 C4H2s 0.770 1.880 3.478 24.600 23.470 1.048 possible 2650 56 M GLY C 2 C3H0b 0.770 1.610 2.452 7.969 9.652 0.826 [OK] 2651 56 M GLY O 16 O1H0u 0.660 1.420 2.984 17.885 16.154 1.107 [OK] 2652 57 M VAL N 12 N3H1s 0.700 1.640 2.175 11.445 13.553 0.844 [OK] 2653 57 M VAL CA 3 C4H1s 0.770 1.880 3.959 16.072 13.078 1.229 possible 2654 57 M VAL C 1 C3H0s 0.770 1.610 2.576 7.970 8.528 0.935 [OK] 2655 57 M VAL O 16 O1H0u 0.660 1.420 3.880 19.117 15.998 1.195 possible 2656 57 M VAL CB 4 C4H1b 0.770 1.880 3.732 15.460 14.514 1.065 possible 2657 57 M VAL CG1 10 C4H3u 0.770 1.880 52.774 -1.000 36.320 -1.000 bad 2658 57 M VAL CG2 10 C4H3u 0.770 1.880 21.687 -1.000 36.173 -1.000 bad 2659 58 M LEU N 12 N3H1s 0.700 1.640 4.018 15.594 13.517 1.154 possible 2660 58 M LEU CA 3 C4H1s 0.770 1.880 4.888 21.366 13.055 1.637 possible 2661 58 M LEU C 1 C3H0s 0.770 1.610 2.570 8.270 8.781 0.942 [OK] 2662 58 M LEU O 16 O1H0u 0.660 1.420 2.476 13.232 15.957 0.829 [OK] 2663 58 M LEU CB 8 C4H2s 0.770 1.880 5.617 32.937 22.818 1.443 possible 2664 58 M LEU CG 4 C4H1b 0.770 1.880 3.157 17.104 14.704 1.163 possible 2665 58 M LEU CD1 10 C4H3u 0.770 1.880 47.636 -1.000 37.235 -1.000 bad 2666 58 M LEU CD2 10 C4H3u 0.770 1.880 31.874 -1.000 37.020 -1.000 bad 2667 59 M SER N 12 N3H1s 0.700 1.640 2.873 14.844 13.808 1.075 [OK] 2668 59 M SER CA 3 C4H1s 0.770 1.880 2.911 13.790 13.351 1.033 [OK] 2669 59 M SER C 1 C3H0s 0.770 1.610 2.340 8.342 8.858 0.942 [OK] 2670 59 M SER O 16 O1H0u 0.660 1.420 2.367 14.580 15.860 0.919 [OK] 2671 59 M SER CB 8 C4H2s 0.770 1.880 3.060 23.126 23.599 0.980 possible 2672 59 M SER OG 17 O2H1u 0.660 1.460 2.644 19.041 18.021 1.057 [OK] 2673 60 M LEU N 12 N3H1s 0.700 1.640 2.891 14.672 13.517 1.085 [OK] 2674 60 M LEU CA 3 C4H1s 0.770 1.880 3.318 16.030 13.055 1.228 possible 2675 60 M LEU C 1 C3H0s 0.770 1.610 2.662 8.292 8.781 0.944 [OK] 2676 60 M LEU O 16 O1H0u 0.660 1.420 2.697 16.125 15.957 1.011 [OK] 2677 60 M LEU CB 8 C4H2s 0.770 1.880 3.860 25.313 22.818 1.109 possible 2678 60 M LEU CG 4 C4H1b 0.770 1.880 3.674 19.701 14.704 1.340 possible 2679 60 M LEU CD1 10 C4H3u 0.770 1.880 4.844 76.265 37.235 2.048 possible 2680 60 M LEU CD2 10 C4H3u 0.770 1.880 7.225 75.477 37.020 2.039 possible 2681 61 M PHE N 12 N3H1s 0.700 1.640 3.564 12.716 13.524 0.940 possible 2682 61 M PHE CA 3 C4H1s 0.770 1.880 5.473 22.827 13.371 1.707 possible 2683 61 M PHE C 1 C3H0s 0.770 1.610 2.422 7.771 8.697 0.894 [OK] 2684 61 M PHE O 16 O1H0u 0.660 1.420 3.249 17.481 15.961 1.095 possible 2685 61 M PHE CB 8 C4H2s 0.770 1.880 6.173 40.333 23.623 1.707 possible 2686 61 M PHE CG 2 C3H0b 0.770 1.610 6.516 16.792 9.684 1.734 possible 2687 61 M PHE CD1 5 C3H1s 0.770 1.760 22.559 -1.000 20.325 -1.000 bad 2688 61 M PHE CD2 6 C3H1b 0.770 1.760 7.062 35.626 20.948 1.701 possible 2689 61 M PHE CE1 6 C3H1b 0.770 1.760 23.667 -1.000 21.532 -1.000 bad 2690 61 M PHE CE2 6 C3H1b 0.770 1.760 21.014 -1.000 21.625 -1.000 bad 2691 61 M PHE CZ 6 C3H1b 0.770 1.760 22.791 -1.000 21.555 -1.000 bad 2692 62 M SER N 12 N3H1s 0.700 1.640 2.279 10.661 13.808 0.772 [OK] 2693 62 M SER CA 3 C4H1s 0.770 1.880 2.988 13.527 13.351 1.013 [OK] 2694 62 M SER C 1 C3H0s 0.770 1.610 2.469 8.390 8.858 0.947 [OK] 2695 62 M SER O 16 O1H0u 0.660 1.420 2.516 14.308 15.860 0.902 [OK] 2696 62 M SER CB 8 C4H2s 0.770 1.880 3.869 28.563 23.599 1.210 possible 2697 62 M SER OG 17 O2H1u 0.660 1.460 3.095 19.752 18.021 1.096 possible 2698 63 M GLY N 12 N3H1s 0.700 1.640 2.374 12.773 14.480 0.882 [OK] 2699 63 M GLY CA 8 C4H2s 0.770 1.880 3.304 22.898 23.470 0.976 possible 2700 63 M GLY C 2 C3H0b 0.770 1.610 2.392 7.941 9.652 0.823 [OK] 2701 63 M GLY O 16 O1H0u 0.660 1.420 2.597 16.697 16.154 1.034 [OK] 2702 64 M LEU N 12 N3H1s 0.700 1.640 2.460 12.213 13.517 0.904 [OK] 2703 64 M LEU CA 3 C4H1s 0.770 1.880 3.003 13.372 13.055 1.024 possible 2704 64 M LEU C 1 C3H0s 0.770 1.610 2.954 8.837 8.781 1.006 [OK] 2705 64 M LEU O 16 O1H0u 0.660 1.420 2.585 13.733 15.957 0.861 [OK] 2706 64 M LEU CB 8 C4H2s 0.770 1.880 4.914 30.201 22.818 1.324 possible 2707 64 M LEU CG 4 C4H1b 0.770 1.880 3.156 14.039 14.704 0.955 possible 2708 64 M LEU CD1 10 C4H3u 0.770 1.880 21.722 -1.000 37.235 -1.000 bad 2709 64 M LEU CD2 10 C4H3u 0.770 1.880 4.870 52.842 37.020 1.427 possible 2710 65 M MET N 12 N3H1s 0.700 1.640 3.191 13.884 13.405 1.036 possible 2711 65 M MET CA 3 C4H1s 0.770 1.880 2.701 11.039 13.194 0.837 [OK] 2712 65 M MET C 1 C3H0s 0.770 1.610 2.177 7.887 8.756 0.901 [OK] 2713 65 M MET O 16 O1H0u 0.660 1.420 2.603 15.671 16.002 0.979 [OK] 2714 65 M MET CB 8 C4H2s 0.770 1.880 2.990 19.494 23.418 0.832 [OK] 2715 65 M MET CG 9 C4H2b 0.770 1.880 3.682 25.316 23.830 1.062 possible 2716 65 M MET SD 19 S2H0u 1.040 1.770 14.888 -1.000 30.207 -1.000 bad 2717 65 M MET CE 10 C4H3u 0.770 1.880 21.760 -1.000 37.003 -1.000 bad 2718 66 M TRP N 12 N3H1s 0.700 1.640 2.152 11.864 13.639 0.870 [OK] 2719 66 M TRP CA 3 C4H1s 0.770 1.880 2.828 14.984 13.323 1.125 [OK] 2720 66 M TRP C 1 C3H0s 0.770 1.610 2.455 8.132 8.687 0.936 [OK] 2721 66 M TRP O 16 O1H0u 0.660 1.420 2.316 16.163 15.797 1.023 [OK] 2722 66 M TRP CB 8 C4H2s 0.770 1.880 3.291 24.755 23.826 1.039 possible 2723 66 M TRP CG 2 C3H0b 0.770 1.610 2.888 9.900 9.915 0.998 [OK] 2724 66 M TRP CD1 5 C3H1s 0.770 1.760 2.613 17.735 20.597 0.861 [OK] 2725 66 M TRP CD2 2 C3H0b 0.770 1.610 2.886 10.664 10.068 1.059 [OK] 2726 66 M TRP NE1 13 N3H1b 0.700 1.640 2.528 16.488 16.723 0.986 [OK] 2727 66 M TRP CE2 2 C3H0b 0.770 1.610 2.540 9.034 9.848 0.917 [OK] 2728 66 M TRP CE3 6 C3H1b 0.770 1.760 3.186 24.742 20.383 1.214 possible 2729 66 M TRP CZ2 6 C3H1b 0.770 1.760 2.874 20.075 20.931 0.959 [OK] 2730 66 M TRP CZ3 6 C3H1b 0.770 1.760 4.251 27.738 21.429 1.294 possible 2731 66 M TRP CH2 6 C3H1b 0.770 1.760 4.390 30.597 21.219 1.442 possible 2732 67 M PHE N 12 N3H1s 0.700 1.640 2.408 12.482 13.524 0.923 [OK] 2733 67 M PHE CA 3 C4H1s 0.770 1.880 3.184 15.792 13.371 1.181 possible 2734 67 M PHE C 1 C3H0s 0.770 1.610 2.505 8.371 8.697 0.963 [OK] 2735 67 M PHE O 16 O1H0u 0.660 1.420 2.484 16.824 15.961 1.054 [OK] 2736 67 M PHE CB 8 C4H2s 0.770 1.880 2.994 22.409 23.623 0.949 [OK] 2737 67 M PHE CG 2 C3H0b 0.770 1.610 2.377 9.181 9.684 0.948 [OK] 2738 67 M PHE CD1 5 C3H1s 0.770 1.760 3.671 23.412 20.325 1.152 possible 2739 67 M PHE CD2 6 C3H1b 0.770 1.760 3.319 24.707 20.948 1.179 possible 2740 67 M PHE CE1 6 C3H1b 0.770 1.760 4.503 47.526 21.532 2.207 possible 2741 67 M PHE CE2 6 C3H1b 0.770 1.760 7.699 51.006 21.625 2.359 possible 2742 67 M PHE CZ 6 C3H1b 0.770 1.760 22.612 -1.000 21.555 -1.000 bad 2743 68 M PHE N 12 N3H1s 0.700 1.640 2.518 12.232 13.524 0.904 [OK] 2744 68 M PHE CA 3 C4H1s 0.770 1.880 3.060 13.891 13.371 1.039 possible 2745 68 M PHE C 1 C3H0s 0.770 1.610 3.011 8.843 8.697 1.017 possible 2746 68 M PHE O 16 O1H0u 0.660 1.420 2.817 16.684 15.961 1.045 [OK] 2747 68 M PHE CB 8 C4H2s 0.770 1.880 6.544 43.490 23.623 1.841 possible 2748 68 M PHE CG 2 C3H0b 0.770 1.610 7.067 19.190 9.684 1.982 possible 2749 68 M PHE CD1 5 C3H1s 0.770 1.760 7.437 31.908 20.325 1.570 possible 2750 68 M PHE CD2 6 C3H1b 0.770 1.760 11.201 -1.000 20.948 -1.000 bad 2751 68 M PHE CE1 6 C3H1b 0.770 1.760 7.596 39.364 21.532 1.828 possible 2752 68 M PHE CE2 6 C3H1b 0.770 1.760 18.149 -1.000 21.625 -1.000 bad 2753 68 M PHE CZ 6 C3H1b 0.770 1.760 26.328 -1.000 21.555 -1.000 bad 2754 69 M THR N 12 N3H1s 0.700 1.640 2.811 13.599 13.544 1.004 [OK] 2755 69 M THR CA 3 C4H1s 0.770 1.880 2.907 13.640 13.025 1.047 [OK] 2756 69 M THR C 1 C3H0s 0.770 1.610 2.616 8.560 8.685 0.986 [OK] 2757 69 M THR O 16 O1H0u 0.660 1.420 2.501 17.951 15.795 1.136 [OK] 2758 69 M THR CB 4 C4H1b 0.770 1.880 2.833 15.610 14.687 1.063 [OK] 2759 69 M THR OG1 17 O2H1u 0.660 1.460 2.643 18.556 17.610 1.054 [OK] 2760 69 M THR CG2 10 C4H3u 0.770 1.880 2.930 35.403 36.265 0.976 [OK] 2761 70 M ILE N 12 N3H1s 0.700 1.640 2.642 13.955 13.493 1.034 [OK] 2762 70 M ILE CA 3 C4H1s 0.770 1.880 2.925 14.532 12.946 1.123 [OK] 2763 70 M ILE C 1 C3H0s 0.770 1.610 2.320 7.905 8.445 0.936 [OK] 2764 70 M ILE O 16 O1H0u 0.660 1.420 2.504 13.897 15.930 0.872 [OK] 2765 70 M ILE CB 4 C4H1b 0.770 1.880 2.887 13.623 14.146 0.963 [OK] 2766 70 M ILE CG1 9 C4H2b 0.770 1.880 2.844 22.892 24.071 0.951 [OK] 2767 70 M ILE CG2 10 C4H3u 0.770 1.880 3.085 32.017 35.763 0.895 possible 2768 70 M ILE CD1 10 C4H3u 0.770 1.880 3.189 35.220 38.219 0.922 possible 2769 71 M GLY N 12 N3H1s 0.700 1.640 2.506 13.412 14.480 0.926 [OK] 2770 71 M GLY CA 8 C4H2s 0.770 1.880 3.049 21.953 23.470 0.935 possible 2771 71 M GLY C 2 C3H0b 0.770 1.610 2.750 9.531 9.652 0.987 [OK] 2772 71 M GLY O 16 O1H0u 0.660 1.420 2.493 15.726 16.154 0.974 [OK] 2773 72 M ILE N 12 N3H1s 0.700 1.640 2.976 14.480 13.493 1.073 [OK] 2774 72 M ILE CA 3 C4H1s 0.770 1.880 3.639 16.452 12.946 1.271 possible 2775 72 M ILE C 1 C3H0s 0.770 1.610 2.926 8.191 8.445 0.970 [OK] 2776 72 M ILE O 16 O1H0u 0.660 1.420 2.929 16.115 15.930 1.012 [OK] 2777 72 M ILE CB 4 C4H1b 0.770 1.880 4.639 22.717 14.146 1.606 possible 2778 72 M ILE CG1 9 C4H2b 0.770 1.880 3.103 20.772 24.071 0.863 possible 2779 72 M ILE CG2 10 C4H3u 0.770 1.880 33.163 -1.000 35.763 -1.000 bad 2780 72 M ILE CD1 10 C4H3u 0.770 1.880 25.583 -1.000 38.219 -1.000 bad 2781 73 M TRP N 12 N3H1s 0.700 1.640 2.937 12.104 13.639 0.887 [OK] 2782 73 M TRP CA 3 C4H1s 0.770 1.880 3.606 16.109 13.323 1.209 possible 2783 73 M TRP C 1 C3H0s 0.770 1.610 2.372 7.614 8.687 0.876 [OK] 2784 73 M TRP O 16 O1H0u 0.660 1.420 2.440 14.823 15.797 0.938 [OK] 2785 73 M TRP CB 8 C4H2s 0.770 1.880 2.950 22.655 23.826 0.951 [OK] 2786 73 M TRP CG 2 C3H0b 0.770 1.610 2.455 9.288 9.915 0.937 [OK] 2787 73 M TRP CD1 5 C3H1s 0.770 1.760 2.876 21.156 20.597 1.027 [OK] 2788 73 M TRP CD2 2 C3H0b 0.770 1.610 2.588 10.679 10.068 1.061 [OK] 2789 73 M TRP NE1 13 N3H1b 0.700 1.640 2.967 16.823 16.723 1.006 [OK] 2790 73 M TRP CE2 2 C3H0b 0.770 1.610 2.651 10.508 9.848 1.067 [OK] 2791 73 M TRP CE3 6 C3H1b 0.770 1.760 4.382 26.004 20.383 1.276 possible 2792 73 M TRP CZ2 6 C3H1b 0.770 1.760 7.328 70.785 20.931 3.382 possible 2793 73 M TRP CZ3 6 C3H1b 0.770 1.760 4.286 30.565 21.429 1.426 possible 2794 73 M TRP CH2 6 C3H1b 0.770 1.760 7.101 42.628 21.219 2.009 possible 2795 74 M PHE N 12 N3H1s 0.700 1.640 2.453 11.715 13.524 0.866 [OK] 2796 74 M PHE CA 3 C4H1s 0.770 1.880 2.747 13.591 13.371 1.016 [OK] 2797 74 M PHE C 1 C3H0s 0.770 1.610 2.548 8.677 8.697 0.998 [OK] 2798 74 M PHE O 16 O1H0u 0.660 1.420 2.381 14.978 15.961 0.938 [OK] 2799 74 M PHE CB 8 C4H2s 0.770 1.880 2.941 23.026 23.623 0.975 [OK] 2800 74 M PHE CG 2 C3H0b 0.770 1.610 2.532 9.986 9.684 1.031 [OK] 2801 74 M PHE CD1 5 C3H1s 0.770 1.760 2.716 16.893 20.325 0.831 [OK] 2802 74 M PHE CD2 6 C3H1b 0.770 1.760 2.854 21.901 20.948 1.045 [OK] 2803 74 M PHE CE1 6 C3H1b 0.770 1.760 2.884 20.194 21.532 0.938 [OK] 2804 74 M PHE CE2 6 C3H1b 0.770 1.760 3.157 22.794 21.625 1.054 possible 2805 74 M PHE CZ 6 C3H1b 0.770 1.760 2.941 22.063 21.555 1.024 [OK] 2806 75 M TRP N 12 N3H1s 0.700 1.640 2.293 12.414 13.639 0.910 [OK] 2807 75 M TRP CA 3 C4H1s 0.770 1.880 2.631 12.717 13.323 0.955 [OK] 2808 75 M TRP C 1 C3H0s 0.770 1.610 2.312 8.452 8.687 0.973 [OK] 2809 75 M TRP O 16 O1H0u 0.660 1.420 2.372 15.068 15.797 0.954 [OK] 2810 75 M TRP CB 8 C4H2s 0.770 1.880 4.239 26.032 23.826 1.093 possible 2811 75 M TRP CG 2 C3H0b 0.770 1.610 4.510 14.354 9.915 1.448 possible 2812 75 M TRP CD1 5 C3H1s 0.770 1.760 4.835 27.418 20.597 1.331 possible 2813 75 M TRP CD2 2 C3H0b 0.770 1.610 7.293 18.700 10.068 1.857 possible 2814 75 M TRP NE1 13 N3H1b 0.700 1.640 6.909 -1.000 16.723 -1.000 bad 2815 75 M TRP CE2 2 C3H0b 0.770 1.610 1.683 -1.000 9.848 -1.000 bad 2816 75 M TRP CE3 6 C3H1b 0.770 1.760 6.997 34.761 20.383 1.705 possible 2817 75 M TRP CZ2 6 C3H1b 0.770 1.760 20.600 -1.000 20.931 -1.000 bad 2818 75 M TRP CZ3 6 C3H1b 0.770 1.760 6.765 19.466 21.429 0.908 possible 2819 75 M TRP CH2 6 C3H1b 0.770 1.760 14.339 -1.000 21.219 -1.000 bad 2820 76 M TYR N 12 N3H1s 0.700 1.640 2.400 11.959 13.473 0.888 [OK] 2821 76 M TYR CA 3 C4H1s 0.770 1.880 2.711 13.096 13.249 0.988 [OK] 2822 76 M TYR C 1 C3H0s 0.770 1.610 2.292 7.671 8.714 0.880 [OK] 2823 76 M TYR O 16 O1H0u 0.660 1.420 5.077 32.518 15.901 2.045 possible 2824 76 M TYR CB 8 C4H2s 0.770 1.880 4.818 33.265 23.426 1.420 possible 2825 76 M TYR CG 2 C3H0b 0.770 1.610 4.827 16.999 9.695 1.753 possible 2826 76 M TYR CD1 5 C3H1s 0.770 1.760 6.209 40.275 20.057 2.008 possible 2827 76 M TYR CD2 5 C3H1s 0.770 1.760 4.129 23.864 20.578 1.160 possible 2828 76 M TYR CE1 5 C3H1s 0.770 1.760 27.820 -1.000 20.534 -1.000 bad 2829 76 M TYR CE2 5 C3H1s 0.770 1.760 6.193 44.148 20.577 2.146 possible 2830 76 M TYR CZ 2 C3H0b 0.770 1.610 3.642 13.894 9.888 1.405 possible 2831 76 M TYR OH 17 O2H1u 0.660 1.460 39.882 -1.000 18.541 -1.000 bad 2832 77 M GLN N 12 N3H1s 0.700 1.640 2.407 11.890 13.449 0.884 [OK] 2833 77 M GLN CA 3 C4H1s 0.770 1.880 6.018 22.906 13.231 1.731 possible 2834 77 M GLN C 1 C3H0s 0.770 1.610 2.558 8.636 8.744 0.988 [OK] 2835 77 M GLN O 16 O1H0u 0.660 1.420 6.569 60.003 15.767 3.806 possible 2836 77 M GLN CB 8 C4H2s 0.770 1.880 5.069 26.754 23.059 1.160 possible 2837 77 M GLN CG 8 C4H2s 0.770 1.880 6.998 42.418 23.218 1.827 possible 2838 77 M GLN CD 2 C3H0b 0.770 1.610 3.490 10.912 9.618 1.135 possible 2839 77 M GLN OE1 16 O1H0u 0.660 1.420 15.218 -1.000 16.571 -1.000 bad 2840 77 M GLN NE2 15 N3H2u 0.700 1.640 2.775 20.057 23.255 0.863 [OK] 2841 78 M ALA N 12 N3H1s 0.700 1.640 2.391 12.245 13.872 0.883 [OK] 2842 78 M ALA CA 4 C4H1b 0.770 1.880 2.621 13.077 13.959 0.937 [OK] 2843 78 M ALA C 1 C3H0s 0.770 1.610 2.845 9.462 8.858 1.068 [OK] 2844 78 M ALA O 16 O1H0u 0.660 1.420 3.400 17.812 16.026 1.111 possible 2845 78 M ALA CB 10 C4H3u 0.770 1.880 2.954 34.297 36.551 0.938 [OK] 2846 79 M GLY N 12 N3H1s 0.700 1.640 3.136 14.845 14.480 1.025 possible 2847 79 M GLY CA 8 C4H2s 0.770 1.880 28.058 -1.000 23.470 -1.000 bad 2848 79 M GLY C 2 C3H0b 0.770 1.610 2.810 8.330 9.652 0.863 [OK] 2849 79 M GLY O 16 O1H0u 0.660 1.420 18.481 -1.000 16.154 -1.000 bad 2850 80 M TRP N 12 N3H1s 0.700 1.640 2.642 12.934 13.639 0.948 [OK] 2851 80 M TRP CA 3 C4H1s 0.770 1.880 3.265 14.857 13.323 1.115 possible 2852 80 M TRP C 1 C3H0s 0.770 1.610 2.908 9.622 8.687 1.108 [OK] 2853 80 M TRP O 16 O1H0u 0.660 1.420 20.538 -1.000 15.797 -1.000 bad 2854 80 M TRP CB 8 C4H2s 0.770 1.880 22.982 -1.000 23.826 -1.000 bad 2855 80 M TRP CG 2 C3H0b 0.770 1.610 1.226 -1.000 9.915 -1.000 bad 2856 80 M TRP CD1 5 C3H1s 0.770 1.760 19.916 -1.000 20.597 -1.000 bad 2857 80 M TRP CD2 2 C3H0b 0.770 1.610 1.803 -1.000 10.068 -1.000 bad 2858 80 M TRP NE1 13 N3H1b 0.700 1.640 17.428 -1.000 16.723 -1.000 bad 2859 80 M TRP CE2 2 C3H0b 0.770 1.610 1.669 -1.000 9.848 -1.000 bad 2860 80 M TRP CE3 6 C3H1b 0.770 1.760 16.168 -1.000 20.383 -1.000 bad 2861 80 M TRP CZ2 6 C3H1b 0.770 1.760 16.966 -1.000 20.931 -1.000 bad 2862 80 M TRP CZ3 6 C3H1b 0.770 1.760 20.744 -1.000 21.429 -1.000 bad 2863 80 M TRP CH2 6 C3H1b 0.770 1.760 22.051 -1.000 21.219 -1.000 bad 2864 81 M ASN N 12 N3H1s 0.700 1.640 2.690 13.847 13.525 1.024 [OK] 2865 81 M ASN CA 3 C4H1s 0.770 1.880 4.189 14.398 13.052 1.103 possible 2866 81 M ASN C 1 C3H0s 0.770 1.610 2.693 8.852 8.853 1.000 [OK] 2867 81 M ASN O 16 O1H0u 0.660 1.420 2.519 12.877 15.857 0.812 [OK] 2868 81 M ASN CB 8 C4H2s 0.770 1.880 3.878 23.513 22.756 1.033 possible 2869 81 M ASN CG 2 C3H0b 0.770 1.610 6.319 15.247 9.537 1.599 possible 2870 81 M ASN OD1 16 O1H0u 0.660 1.420 11.402 -1.000 16.247 -1.000 bad 2871 81 M ASN ND2 15 N3H2u 0.700 1.640 33.748 -1.000 22.525 -1.000 bad 2872 82 M PRO N 11 N3H0u 0.700 1.640 2.676 9.174 8.650 1.061 [OK] 2873 82 M PRO CA 4 C4H1b 0.770 1.880 3.291 15.927 13.828 1.152 possible 2874 82 M PRO C 1 C3H0s 0.770 1.610 4.411 9.403 8.768 1.072 possible 2875 82 M PRO O 16 O1H0u 0.660 1.420 4.911 22.985 15.856 1.450 possible 2876 82 M PRO CB 9 C4H2b 0.770 1.880 29.843 -1.000 25.314 -1.000 bad 2877 82 M PRO CG 9 C4H2b 0.770 1.880 37.077 -1.000 25.480 -1.000 bad 2878 82 M PRO CD 8 C4H2s 0.770 1.880 14.326 -1.000 23.390 -1.000 bad 2879 83 M ALA N 12 N3H1s 0.700 1.640 6.122 21.147 13.872 1.524 possible 2880 83 M ALA CA 4 C4H1b 0.770 1.880 6.834 26.525 13.959 1.900 possible 2881 83 M ALA C 1 C3H0s 0.770 1.610 2.745 8.858 8.858 1.000 [OK] 2882 83 M ALA O 16 O1H0u 0.660 1.420 2.561 14.258 16.026 0.890 [OK] 2883 83 M ALA CB 10 C4H3u 0.770 1.880 19.865 -1.000 36.551 -1.000 bad 2884 84 M VAL N 12 N3H1s 0.700 1.640 3.024 14.076 13.553 1.039 possible 2885 84 M VAL CA 3 C4H1s 0.770 1.880 3.187 14.331 13.078 1.096 possible 2886 84 M VAL C 1 C3H0s 0.770 1.610 2.284 7.440 8.528 0.872 [OK] 2887 84 M VAL O 16 O1H0u 0.660 1.420 2.302 13.690 15.998 0.856 [OK] 2888 84 M VAL CB 4 C4H1b 0.770 1.880 2.366 11.999 14.514 0.827 [OK] 2889 84 M VAL CG1 10 C4H3u 0.770 1.880 2.717 28.414 36.320 0.782 [OK] 2890 84 M VAL CG2 10 C4H3u 0.770 1.880 3.476 37.071 36.173 1.025 possible 2891 85 M PHE N 12 N3H1s 0.700 1.640 2.311 12.129 13.524 0.897 [OK] 2892 85 M PHE CA 3 C4H1s 0.770 1.880 2.620 13.107 13.371 0.980 [OK] 2893 85 M PHE C 1 C3H0s 0.770 1.610 2.192 7.460 8.697 0.858 [OK] 2894 85 M PHE O 16 O1H0u 0.660 1.420 2.597 16.349 15.961 1.024 [OK] 2895 85 M PHE CB 8 C4H2s 0.770 1.880 3.075 23.525 23.623 0.996 possible 2896 85 M PHE CG 2 C3H0b 0.770 1.610 2.606 9.635 9.684 0.995 [OK] 2897 85 M PHE CD1 5 C3H1s 0.770 1.760 2.781 21.343 20.325 1.050 [OK] 2898 85 M PHE CD2 6 C3H1b 0.770 1.760 3.570 20.949 20.948 1.000 possible 2899 85 M PHE CE1 6 C3H1b 0.770 1.760 2.817 21.093 21.532 0.980 [OK] 2900 85 M PHE CE2 6 C3H1b 0.770 1.760 4.733 34.440 21.625 1.593 possible 2901 85 M PHE CZ 6 C3H1b 0.770 1.760 3.211 20.276 21.555 0.941 possible 2902 86 M LEU N 12 N3H1s 0.700 1.640 2.178 11.481 13.517 0.849 [OK] 2903 86 M LEU CA 3 C4H1s 0.770 1.880 3.154 13.456 13.055 1.031 possible 2904 86 M LEU C 1 C3H0s 0.770 1.610 2.163 8.422 8.781 0.959 [OK] 2905 86 M LEU O 16 O1H0u 0.660 1.420 3.129 20.724 15.957 1.299 possible 2906 86 M LEU CB 8 C4H2s 0.770 1.880 3.225 21.324 22.818 0.935 possible 2907 86 M LEU CG 4 C4H1b 0.770 1.880 4.821 28.264 14.704 1.922 possible 2908 86 M LEU CD1 10 C4H3u 0.770 1.880 21.095 -1.000 37.235 -1.000 bad 2909 86 M LEU CD2 10 C4H3u 0.770 1.880 52.449 -1.000 37.020 -1.000 bad 2910 87 M ARG N 12 N3H1s 0.700 1.640 2.181 11.455 13.486 0.849 [OK] 2911 87 M ARG CA 3 C4H1s 0.770 1.880 2.845 13.754 13.310 1.033 [OK] 2912 87 M ARG C 1 C3H0s 0.770 1.610 2.198 7.907 8.779 0.901 [OK] 2913 87 M ARG O 16 O1H0u 0.660 1.420 2.886 20.924 15.916 1.315 [OK] 2914 87 M ARG CB 8 C4H2s 0.770 1.880 3.056 20.925 22.833 0.916 possible 2915 87 M ARG CG 8 C4H2s 0.770 1.880 2.884 19.927 23.273 0.856 [OK] 2916 87 M ARG CD 8 C4H2s 0.770 1.880 3.619 23.389 22.849 1.024 possible 2917 87 M ARG NE 13 N3H1b 0.700 1.640 2.778 13.568 15.019 0.903 [OK] 2918 87 M ARG CZ 2 C3H0b 0.770 1.610 2.830 10.303 9.678 1.065 [OK] 2919 87 M ARG NH1 15 N3H2u 0.700 1.640 3.016 27.569 22.056 1.250 possible 2920 87 M ARG NH2 15 N3H2u 0.700 1.640 2.649 20.037 23.132 0.866 [OK] 2921 88 M ASP N 12 N3H1s 0.700 1.640 2.370 11.949 13.654 0.875 [OK] 2922 88 M ASP CA 3 C4H1s 0.770 1.880 2.622 12.281 13.254 0.927 [OK] 2923 88 M ASP C 1 C3H0s 0.770 1.610 2.568 9.171 8.750 1.048 [OK] 2924 88 M ASP O 16 O1H0u 0.660 1.420 2.162 13.534 15.757 0.859 [OK] 2925 88 M ASP CB 8 C4H2s 0.770 1.880 2.620 20.855 23.022 0.906 [OK] 2926 88 M ASP CG 2 C3H0b 0.770 1.610 2.455 9.200 9.336 0.985 [OK] 2927 88 M ASP OD1 16 O1H0u 0.660 1.420 2.364 13.532 15.078 0.897 [OK] 2928 88 M ASP OD2 16 O1H0u 0.660 1.420 2.251 13.160 15.582 0.845 [OK] 2929 89 M LEU N 12 N3H1s 0.700 1.640 3.152 17.086 13.517 1.264 possible 2930 89 M LEU CA 3 C4H1s 0.770 1.880 2.506 12.407 13.055 0.950 [OK] 2931 89 M LEU C 1 C3H0s 0.770 1.610 2.267 8.450 8.781 0.962 [OK] 2932 89 M LEU O 16 O1H0u 0.660 1.420 2.791 17.978 15.957 1.127 [OK] 2933 89 M LEU CB 8 C4H2s 0.770 1.880 3.556 28.210 22.818 1.236 possible 2934 89 M LEU CG 4 C4H1b 0.770 1.880 3.401 16.660 14.704 1.133 possible 2935 89 M LEU CD1 10 C4H3u 0.770 1.880 3.423 38.948 37.235 1.046 possible 2936 89 M LEU CD2 10 C4H3u 0.770 1.880 5.052 80.594 37.020 2.177 possible 2937 90 M PHE N 12 N3H1s 0.700 1.640 3.214 15.123 13.524 1.118 possible 2938 90 M PHE CA 3 C4H1s 0.770 1.880 2.319 11.522 13.371 0.862 [OK] 2939 90 M PHE C 1 C3H0s 0.770 1.610 2.354 8.930 8.697 1.027 [OK] 2940 90 M PHE O 16 O1H0u 0.660 1.420 2.894 18.354 15.961 1.150 [OK] 2941 90 M PHE CB 8 C4H2s 0.770 1.880 3.019 22.166 23.623 0.938 possible 2942 90 M PHE CG 2 C3H0b 0.770 1.610 2.836 10.299 9.684 1.064 [OK] 2943 90 M PHE CD1 5 C3H1s 0.770 1.760 2.983 16.237 20.325 0.799 [OK] 2944 90 M PHE CD2 6 C3H1b 0.770 1.760 3.702 30.982 20.948 1.479 possible 2945 90 M PHE CE1 6 C3H1b 0.770 1.760 3.636 25.697 21.532 1.193 possible 2946 90 M PHE CE2 6 C3H1b 0.770 1.760 4.221 43.260 21.625 2.000 possible 2947 90 M PHE CZ 6 C3H1b 0.770 1.760 4.785 39.898 21.555 1.851 possible 2948 91 M PHE N 12 N3H1s 0.700 1.640 2.431 11.608 13.524 0.858 [OK] 2949 91 M PHE CA 3 C4H1s 0.770 1.880 3.947 16.123 13.371 1.206 possible 2950 91 M PHE C 1 C3H0s 0.770 1.610 2.291 8.422 8.697 0.968 [OK] 2951 91 M PHE O 16 O1H0u 0.660 1.420 5.748 48.424 15.961 3.034 possible 2952 91 M PHE CB 8 C4H2s 0.770 1.880 3.806 22.292 23.623 0.944 possible 2953 91 M PHE CG 2 C3H0b 0.770 1.610 2.430 9.612 9.684 0.993 [OK] 2954 91 M PHE CD1 5 C3H1s 0.770 1.760 6.845 60.513 20.325 2.977 possible 2955 91 M PHE CD2 6 C3H1b 0.770 1.760 3.122 20.017 20.948 0.956 possible 2956 91 M PHE CE1 6 C3H1b 0.770 1.760 6.852 60.445 21.532 2.807 possible 2957 91 M PHE CE2 6 C3H1b 0.770 1.760 3.506 32.427 21.625 1.499 possible 2958 91 M PHE CZ 6 C3H1b 0.770 1.760 3.975 35.138 21.555 1.630 possible 2959 92 M PHE N 12 N3H1s 0.700 1.640 2.488 14.324 13.524 1.059 [OK] 2960 92 M PHE CA 3 C4H1s 0.770 1.880 2.946 12.359 13.371 0.924 [OK] 2961 92 M PHE C 1 C3H0s 0.770 1.610 2.435 8.234 8.697 0.947 [OK] 2962 92 M PHE O 16 O1H0u 0.660 1.420 2.688 19.164 15.961 1.201 [OK] 2963 92 M PHE CB 8 C4H2s 0.770 1.880 2.695 19.415 23.623 0.822 [OK] 2964 92 M PHE CG 2 C3H0b 0.770 1.610 2.398 9.396 9.684 0.970 [OK] 2965 92 M PHE CD1 5 C3H1s 0.770 1.760 2.787 15.192 20.325 0.747 [OK] 2966 92 M PHE CD2 6 C3H1b 0.770 1.760 2.764 20.105 20.948 0.960 [OK] 2967 92 M PHE CE1 6 C3H1b 0.770 1.760 3.053 20.571 21.532 0.955 possible 2968 92 M PHE CE2 6 C3H1b 0.770 1.760 2.772 20.926 21.625 0.968 [OK] 2969 92 M PHE CZ 6 C3H1b 0.770 1.760 2.532 18.163 21.555 0.843 [OK] 2970 93 M SER N 12 N3H1s 0.700 1.640 3.295 17.569 13.808 1.272 possible 2971 93 M SER CA 3 C4H1s 0.770 1.880 2.543 13.009 13.351 0.974 [OK] 2972 93 M SER C 1 C3H0s 0.770 1.610 2.393 8.819 8.858 0.996 [OK] 2973 93 M SER O 16 O1H0u 0.660 1.420 4.155 27.147 15.860 1.712 possible 2974 93 M SER CB 8 C4H2s 0.770 1.880 4.994 42.133 23.599 1.785 possible 2975 93 M SER OG 17 O2H1u 0.660 1.460 2.361 17.099 18.021 0.949 [OK] 2976 94 M LEU N 12 N3H1s 0.700 1.640 2.551 13.704 13.517 1.014 [OK] 2977 94 M LEU CA 3 C4H1s 0.770 1.880 3.092 12.163 13.055 0.932 possible 2978 94 M LEU C 1 C3H0s 0.770 1.610 2.325 8.923 8.781 1.016 [OK] 2979 94 M LEU O 16 O1H0u 0.660 1.420 2.315 14.100 15.957 0.884 [OK] 2980 94 M LEU CB 8 C4H2s 0.770 1.880 3.002 23.342 22.818 1.023 possible 2981 94 M LEU CG 4 C4H1b 0.770 1.880 2.581 12.876 14.704 0.876 [OK] 2982 94 M LEU CD1 10 C4H3u 0.770 1.880 3.886 43.885 37.235 1.179 possible 2983 94 M LEU CD2 10 C4H3u 0.770 1.880 3.004 36.655 37.020 0.990 possible 2984 95 M GLU N 12 N3H1s 0.700 1.640 3.900 19.851 13.461 1.475 possible 2985 95 M GLU CA 3 C4H1s 0.770 1.880 2.584 12.069 13.284 0.909 [OK] 2986 95 M GLU C 1 C3H0s 0.770 1.610 2.547 9.027 8.631 1.046 [OK] 2987 95 M GLU O 16 O1H0u 0.660 1.420 3.861 24.738 15.765 1.569 possible 2988 95 M GLU CB 8 C4H2s 0.770 1.880 7.014 64.403 23.214 2.774 possible 2989 95 M GLU CG 8 C4H2s 0.770 1.880 19.553 -1.000 23.304 -1.000 bad 2990 95 M GLU CD 2 C3H0b 0.770 1.610 3.062 -1.000 9.437 -1.000 bad 2991 95 M GLU OE1 16 O1H0u 0.660 1.420 29.015 -1.000 15.497 -1.000 bad 2992 95 M GLU OE2 16 O1H0u 0.660 1.420 16.732 -1.000 16.213 -1.000 bad 2993 96 M PRO N 11 N3H0u 0.700 1.640 2.689 8.589 8.650 0.993 [OK] 2994 96 M PRO CA 4 C4H1b 0.770 1.880 2.545 12.149 13.828 0.879 [OK] 2995 96 M PRO C 1 C3H0s 0.770 1.610 2.463 9.305 8.768 1.061 [OK] 2996 96 M PRO O 16 O1H0u 0.660 1.420 4.592 35.997 15.856 2.270 possible 2997 96 M PRO CB 9 C4H2b 0.770 1.880 2.629 21.286 25.314 0.841 [OK] 2998 96 M PRO CG 9 C4H2b 0.770 1.880 4.692 33.140 25.480 1.301 possible 2999 96 M PRO CD 8 C4H2s 0.770 1.880 4.420 33.235 23.390 1.421 possible 3000 97 M PRO N 11 N3H0u 0.700 1.640 2.466 8.547 8.650 0.988 [OK] 3001 97 M PRO CA 4 C4H1b 0.770 1.880 2.835 13.091 13.828 0.947 [OK] 3002 97 M PRO C 1 C3H0s 0.770 1.610 2.531 8.180 8.768 0.933 [OK] 3003 97 M PRO O 16 O1H0u 0.660 1.420 3.134 15.634 15.856 0.986 possible 3004 97 M PRO CB 9 C4H2b 0.770 1.880 2.984 24.959 25.314 0.986 [OK] 3005 97 M PRO CG 9 C4H2b 0.770 1.880 3.017 22.492 25.480 0.883 possible 3006 97 M PRO CD 8 C4H2s 0.770 1.880 2.632 20.522 23.390 0.877 [OK] 3007 98 M ALA N 12 N3H1s 0.700 1.640 4.265 21.022 13.872 1.515 possible 3008 98 M ALA CA 4 C4H1b 0.770 1.880 6.043 26.666 13.959 1.910 possible 3009 98 M ALA C 1 C3H0s 0.770 1.610 2.215 7.967 8.858 0.899 [OK] 3010 98 M ALA O 16 O1H0u 0.660 1.420 2.273 13.333 16.026 0.832 [OK] 3011 98 M ALA CB 10 C4H3u 0.770 1.880 14.651 -1.000 36.551 -1.000 bad 3012 99 M PRO N 11 N3H0u 0.700 1.640 2.262 7.657 8.650 0.885 [OK] 3013 99 M PRO CA 4 C4H1b 0.770 1.880 2.596 13.932 13.828 1.008 [OK] 3014 99 M PRO C 1 C3H0s 0.770 1.610 3.250 8.770 8.768 1.000 possible 3015 99 M PRO O 16 O1H0u 0.660 1.420 16.449 -1.000 15.856 -1.000 bad 3016 99 M PRO CB 9 C4H2b 0.770 1.880 20.920 -1.000 25.314 -1.000 bad 3017 99 M PRO CG 9 C4H2b 0.770 1.880 29.345 -1.000 25.480 -1.000 bad 3018 99 M PRO CD 8 C4H2s 0.770 1.880 16.102 -1.000 23.390 -1.000 bad 3019 100 M GLU N 12 N3H1s 0.700 1.640 3.052 13.344 13.461 0.991 possible 3020 100 M GLU CA 3 C4H1s 0.770 1.880 5.835 24.819 13.284 1.868 possible 3021 100 M GLU C 1 C3H0s 0.770 1.610 3.183 8.879 8.631 1.029 possible 3022 100 M GLU O 16 O1H0u 0.660 1.420 32.029 -1.000 15.765 -1.000 bad 3023 100 M GLU CB 8 C4H2s 0.770 1.880 8.876 -1.000 23.214 -1.000 bad 3024 100 M GLU CG 8 C4H2s 0.770 1.880 39.030 -1.000 23.304 -1.000 bad 3025 100 M GLU CD 2 C3H0b 0.770 1.610 3.488 -1.000 9.437 -1.000 bad 3026 100 M GLU OE1 16 O1H0u 0.660 1.420 20.832 -1.000 15.497 -1.000 bad 3027 100 M GLU OE2 16 O1H0u 0.660 1.420 32.468 -1.000 16.213 -1.000 bad 3028 101 M TYR N 12 N3H1s 0.700 1.640 2.664 11.339 13.473 0.842 [OK] 3029 101 M TYR CA 3 C4H1s 0.770 1.880 5.175 20.453 13.249 1.544 possible 3030 101 M TYR C 1 C3H0s 0.770 1.610 3.109 9.301 8.714 1.067 possible 3031 101 M TYR O 16 O1H0u 0.660 1.420 12.179 -1.000 15.901 -1.000 bad 3032 101 M TYR CB 8 C4H2s 0.770 1.880 3.029 26.342 23.426 1.124 possible 3033 101 M TYR CG 2 C3H0b 0.770 1.610 2.629 9.288 9.695 0.958 [OK] 3034 101 M TYR CD1 5 C3H1s 0.770 1.760 2.813 17.166 20.057 0.856 [OK] 3035 101 M TYR CD2 5 C3H1s 0.770 1.760 11.216 -1.000 20.578 -1.000 bad 3036 101 M TYR CE1 5 C3H1s 0.770 1.760 3.445 23.850 20.534 1.161 possible 3037 101 M TYR CE2 5 C3H1s 0.770 1.760 18.426 -1.000 20.577 -1.000 bad 3038 101 M TYR CZ 2 C3H0b 0.770 1.610 3.905 11.978 9.888 1.211 possible 3039 101 M TYR OH 17 O2H1u 0.660 1.460 16.948 -1.000 18.541 -1.000 bad 3040 102 M GLY N 12 N3H1s 0.700 1.640 3.379 14.559 14.480 1.005 possible 3041 102 M GLY CA 8 C4H2s 0.770 1.880 5.431 31.050 23.470 1.323 possible 3042 102 M GLY C 2 C3H0b 0.770 1.610 2.158 7.993 9.652 0.828 [OK] 3043 102 M GLY O 16 O1H0u 0.660 1.420 2.530 14.620 16.154 0.905 [OK] 3044 103 M LEU N 12 N3H1s 0.700 1.640 6.360 24.320 13.517 1.799 possible 3045 103 M LEU CA 3 C4H1s 0.770 1.880 2.512 12.135 13.055 0.930 [OK] 3046 103 M LEU C 1 C3H0s 0.770 1.610 6.000 12.511 8.781 1.425 possible 3047 103 M LEU O 16 O1H0u 0.660 1.420 8.148 -1.000 15.957 -1.000 bad 3048 103 M LEU CB 8 C4H2s 0.770 1.880 17.778 -1.000 22.818 -1.000 bad 3049 103 M LEU CG 4 C4H1b 0.770 1.880 3.429 13.206 14.704 0.898 possible 3050 103 M LEU CD1 10 C4H3u 0.770 1.880 30.436 -1.000 37.235 -1.000 bad 3051 103 M LEU CD2 10 C4H3u 0.770 1.880 3.208 30.354 37.020 0.820 possible 3052 104 M SER N 12 N3H1s 0.700 1.640 6.936 19.361 13.808 1.402 possible 3053 104 M SER CA 3 C4H1s 0.770 1.880 10.642 -1.000 13.351 -1.000 bad 3054 104 M SER C 1 C3H0s 0.770 1.610 2.302 8.305 8.858 0.938 [OK] 3055 104 M SER O 16 O1H0u 0.660 1.420 2.775 22.586 15.860 1.424 [OK] 3056 104 M SER CB 8 C4H2s 0.770 1.880 13.607 -1.000 23.599 -1.000 bad 3057 104 M SER OG 17 O2H1u 0.660 1.460 13.532 -1.000 18.021 -1.000 bad 3058 105 M PHE N 12 N3H1s 0.700 1.640 5.092 -1.000 13.524 -1.000 bad 3059 105 M PHE CA 3 C4H1s 0.770 1.880 3.220 16.377 13.371 1.225 possible 3060 105 M PHE C 1 C3H0s 0.770 1.610 3.922 12.974 8.697 1.492 possible 3061 105 M PHE O 16 O1H0u 0.660 1.420 28.626 -1.000 15.961 -1.000 bad 3062 105 M PHE CB 8 C4H2s 0.770 1.880 25.396 -1.000 23.623 -1.000 bad 3063 105 M PHE CG 2 C3H0b 0.770 1.610 0.281 -1.000 9.684 -1.000 bad 3064 105 M PHE CD1 5 C3H1s 0.770 1.760 11.978 -1.000 20.325 -1.000 bad 3065 105 M PHE CD2 6 C3H1b 0.770 1.760 20.354 -1.000 20.948 -1.000 bad 3066 105 M PHE CE1 6 C3H1b 0.770 1.760 18.610 -1.000 21.532 -1.000 bad 3067 105 M PHE CE2 6 C3H1b 0.770 1.760 15.514 -1.000 21.625 -1.000 bad 3068 105 M PHE CZ 6 C3H1b 0.770 1.760 10.859 -1.000 21.555 -1.000 bad 3069 106 M ALA N 12 N3H1s 0.700 1.640 3.378 14.364 13.872 1.035 possible 3070 106 M ALA CA 4 C4H1b 0.770 1.880 7.707 -1.000 13.959 -1.000 bad 3071 106 M ALA C 1 C3H0s 0.770 1.610 3.357 11.147 8.858 1.258 possible 3072 106 M ALA O 16 O1H0u 0.660 1.420 18.425 -1.000 16.026 -1.000 bad 3073 106 M ALA CB 10 C4H3u 0.770 1.880 55.958 -1.000 36.551 -1.000 bad 3074 107 M ALA N 12 N3H1s 0.700 1.640 3.193 19.071 13.872 1.375 possible 3075 107 M ALA CA 4 C4H1b 0.770 1.880 2.557 11.843 13.959 0.848 [OK] 3076 107 M ALA C 1 C3H0s 0.770 1.610 2.429 8.291 8.858 0.936 [OK] 3077 107 M ALA O 16 O1H0u 0.660 1.420 6.711 44.378 16.026 2.769 possible 3078 107 M ALA CB 10 C4H3u 0.770 1.880 3.247 40.548 36.551 1.109 possible 3079 108 M PRO N 11 N3H0u 0.700 1.640 3.384 9.838 8.650 1.137 possible 3080 108 M PRO CA 4 C4H1b 0.770 1.880 11.145 -1.000 13.828 -1.000 bad 3081 108 M PRO C 1 C3H0s 0.770 1.610 2.308 7.950 8.768 0.907 [OK] 3082 108 M PRO O 16 O1H0u 0.660 1.420 2.395 13.718 15.856 0.865 [OK] 3083 108 M PRO CB 9 C4H2b 0.770 1.880 26.802 -1.000 25.314 -1.000 bad 3084 108 M PRO CG 9 C4H2b 0.770 1.880 11.711 -1.000 25.480 -1.000 bad 3085 108 M PRO CD 8 C4H2s 0.770 1.880 9.502 -1.000 23.390 -1.000 bad 3086 109 M LEU N 12 N3H1s 0.700 1.640 8.160 -1.000 13.517 -1.000 bad 3087 109 M LEU CA 3 C4H1s 0.770 1.880 3.838 14.538 13.055 1.114 possible 3088 109 M LEU C 1 C3H0s 0.770 1.610 2.446 8.126 8.781 0.925 [OK] 3089 109 M LEU O 16 O1H0u 0.660 1.420 3.123 21.066 15.957 1.320 possible 3090 109 M LEU CB 8 C4H2s 0.770 1.880 19.746 -1.000 22.818 -1.000 bad 3091 109 M LEU CG 4 C4H1b 0.770 1.880 2.710 12.895 14.704 0.877 [OK] 3092 109 M LEU CD1 10 C4H3u 0.770 1.880 26.766 -1.000 37.235 -1.000 bad 3093 109 M LEU CD2 10 C4H3u 0.770 1.880 27.970 -1.000 37.020 -1.000 bad 3094 110 M LYS N 12 N3H1s 0.700 1.640 3.768 17.582 13.429 1.309 possible 3095 110 M LYS CA 3 C4H1s 0.770 1.880 3.156 14.321 13.217 1.084 possible 3096 110 M LYS C 1 C3H0s 0.770 1.610 3.315 10.909 8.696 1.254 possible 3097 110 M LYS O 16 O1H0u 0.660 1.420 16.184 -1.000 15.818 -1.000 bad 3098 110 M LYS CB 8 C4H2s 0.770 1.880 5.574 44.048 22.578 1.951 possible 3099 110 M LYS CG 8 C4H2s 0.770 1.880 5.647 43.732 22.847 1.914 possible 3100 110 M LYS CD 8 C4H2s 0.770 1.880 19.669 -1.000 23.365 -1.000 bad 3101 110 M LYS CE 9 C4H2b 0.770 1.880 27.265 -1.000 23.720 -1.000 bad 3102 110 M LYS NZ 14 N4H3u 0.700 1.640 55.903 -1.000 21.413 -1.000 bad 3103 111 M GLU N 12 N3H1s 0.700 1.640 3.088 13.333 13.461 0.991 possible 3104 111 M GLU CA 3 C4H1s 0.770 1.880 5.211 19.606 13.284 1.476 possible 3105 111 M GLU C 1 C3H0s 0.770 1.610 4.321 14.248 8.631 1.651 possible 3106 111 M GLU O 16 O1H0u 0.660 1.420 4.501 28.406 15.765 1.802 possible 3107 111 M GLU CB 8 C4H2s 0.770 1.880 3.627 23.032 23.214 0.992 possible 3108 111 M GLU CG 8 C4H2s 0.770 1.880 31.029 -1.000 23.304 -1.000 bad 3109 111 M GLU CD 2 C3H0b 0.770 1.610 3.264 -1.000 9.437 -1.000 bad 3110 111 M GLU OE1 16 O1H0u 0.660 1.420 22.495 -1.000 15.497 -1.000 bad 3111 111 M GLU OE2 16 O1H0u 0.660 1.420 28.312 -1.000 16.213 -1.000 bad 3112 112 M GLY N 12 N3H1s 0.700 1.640 4.023 25.051 14.480 1.730 possible 3113 112 M GLY CA 8 C4H2s 0.770 1.880 3.222 25.410 23.470 1.083 possible 3114 112 M GLY C 2 C3H0b 0.770 1.610 2.917 10.414 9.652 1.079 [OK] 3115 112 M GLY O 16 O1H0u 0.660 1.420 2.361 13.590 16.154 0.841 [OK] 3116 113 M GLY N 12 N3H1s 0.700 1.640 2.477 14.946 14.480 1.032 [OK] 3117 113 M GLY CA 8 C4H2s 0.770 1.880 4.972 37.530 23.470 1.599 possible 3118 113 M GLY C 2 C3H0b 0.770 1.610 3.124 9.951 9.652 1.031 possible 3119 113 M GLY O 16 O1H0u 0.660 1.420 4.267 20.147 16.154 1.247 possible 3120 114 M LEU N 12 N3H1s 0.700 1.640 3.022 14.988 13.517 1.109 possible 3121 114 M LEU CA 3 C4H1s 0.770 1.880 2.569 11.332 13.055 0.868 [OK] 3122 114 M LEU C 1 C3H0s 0.770 1.610 2.365 8.262 8.781 0.941 [OK] 3123 114 M LEU O 16 O1H0u 0.660 1.420 2.499 16.187 15.957 1.014 [OK] 3124 114 M LEU CB 8 C4H2s 0.770 1.880 3.490 25.371 22.818 1.112 possible 3125 114 M LEU CG 4 C4H1b 0.770 1.880 3.190 16.200 14.704 1.102 possible 3126 114 M LEU CD1 10 C4H3u 0.770 1.880 4.524 47.080 37.235 1.264 possible 3127 114 M LEU CD2 10 C4H3u 0.770 1.880 2.970 30.395 37.020 0.821 [OK] 3128 115 M TRP N 12 N3H1s 0.700 1.640 2.961 13.929 13.639 1.021 [OK] 3129 115 M TRP CA 3 C4H1s 0.770 1.880 2.623 12.612 13.323 0.947 [OK] 3130 115 M TRP C 1 C3H0s 0.770 1.610 2.051 8.160 8.687 0.939 [OK] 3131 115 M TRP O 16 O1H0u 0.660 1.420 2.226 13.552 15.797 0.858 [OK] 3132 115 M TRP CB 8 C4H2s 0.770 1.880 2.933 20.417 23.826 0.857 [OK] 3133 115 M TRP CG 2 C3H0b 0.770 1.610 2.284 8.989 9.915 0.907 [OK] 3134 115 M TRP CD1 5 C3H1s 0.770 1.760 2.480 17.478 20.597 0.849 [OK] 3135 115 M TRP CD2 2 C3H0b 0.770 1.610 2.282 8.920 10.068 0.886 [OK] 3136 115 M TRP NE1 13 N3H1b 0.700 1.640 2.739 16.940 16.723 1.013 [OK] 3137 115 M TRP CE2 2 C3H0b 0.770 1.610 2.636 9.891 9.848 1.004 [OK] 3138 115 M TRP CE3 6 C3H1b 0.770 1.760 2.506 16.704 20.383 0.820 [OK] 3139 115 M TRP CZ2 6 C3H1b 0.770 1.760 3.054 25.073 20.931 1.198 possible 3140 115 M TRP CZ3 6 C3H1b 0.770 1.760 2.898 20.920 21.429 0.976 [OK] 3141 115 M TRP CH2 6 C3H1b 0.770 1.760 3.101 26.477 21.219 1.248 possible 3142 116 M LEU N 12 N3H1s 0.700 1.640 2.302 12.659 13.517 0.937 [OK] 3143 116 M LEU CA 3 C4H1s 0.770 1.880 2.700 13.308 13.055 1.019 [OK] 3144 116 M LEU C 1 C3H0s 0.770 1.610 3.177 8.376 8.781 0.954 possible 3145 116 M LEU O 16 O1H0u 0.660 1.420 3.857 20.619 15.957 1.292 possible 3146 116 M LEU CB 8 C4H2s 0.770 1.880 4.631 39.073 22.818 1.712 possible 3147 116 M LEU CG 4 C4H1b 0.770 1.880 3.850 21.536 14.704 1.465 possible 3148 116 M LEU CD1 10 C4H3u 0.770 1.880 3.103 36.769 37.235 0.987 possible 3149 116 M LEU CD2 10 C4H3u 0.770 1.880 3.755 34.855 37.020 0.942 possible 3150 117 M ILE N 12 N3H1s 0.700 1.640 4.049 14.449 13.493 1.071 possible 3151 117 M ILE CA 3 C4H1s 0.770 1.880 4.460 18.596 12.946 1.436 possible 3152 117 M ILE C 1 C3H0s 0.770 1.610 2.485 8.026 8.445 0.950 [OK] 3153 117 M ILE O 16 O1H0u 0.660 1.420 2.715 15.929 15.930 1.000 [OK] 3154 117 M ILE CB 4 C4H1b 0.770 1.880 2.566 13.468 14.146 0.952 [OK] 3155 117 M ILE CG1 9 C4H2b 0.770 1.880 6.343 56.218 24.071 2.336 possible 3156 117 M ILE CG2 10 C4H3u 0.770 1.880 3.199 38.610 35.763 1.080 possible 3157 117 M ILE CD1 10 C4H3u 0.770 1.880 7.872 60.822 38.219 1.591 possible 3158 118 M ALA N 12 N3H1s 0.700 1.640 2.629 13.601 13.872 0.980 [OK] 3159 118 M ALA CA 4 C4H1b 0.770 1.880 2.832 15.600 13.959 1.118 [OK] 3160 118 M ALA C 1 C3H0s 0.770 1.610 2.479 8.296 8.858 0.937 [OK] 3161 118 M ALA O 16 O1H0u 0.660 1.420 2.313 12.819 16.026 0.800 [OK] 3162 118 M ALA CB 10 C4H3u 0.770 1.880 2.955 35.930 36.551 0.983 [OK] 3163 119 M SER N 12 N3H1s 0.700 1.640 2.461 12.729 13.808 0.922 [OK] 3164 119 M SER CA 3 C4H1s 0.770 1.880 2.821 14.032 13.351 1.051 [OK] 3165 119 M SER C 1 C3H0s 0.770 1.610 2.348 8.271 8.858 0.934 [OK] 3166 119 M SER O 16 O1H0u 0.660 1.420 2.433 14.388 15.860 0.907 [OK] 3167 119 M SER CB 8 C4H2s 0.770 1.880 2.899 20.382 23.599 0.864 [OK] 3168 119 M SER OG 17 O2H1u 0.660 1.460 2.628 17.563 18.021 0.975 [OK] 3169 120 M PHE N 12 N3H1s 0.700 1.640 2.402 12.515 13.524 0.925 [OK] 3170 120 M PHE CA 3 C4H1s 0.770 1.880 2.832 13.859 13.371 1.036 [OK] 3171 120 M PHE C 1 C3H0s 0.770 1.610 2.214 7.488 8.697 0.861 [OK] 3172 120 M PHE O 16 O1H0u 0.660 1.420 2.489 14.828 15.961 0.929 [OK] 3173 120 M PHE CB 8 C4H2s 0.770 1.880 4.429 29.725 23.623 1.258 possible 3174 120 M PHE CG 2 C3H0b 0.770 1.610 3.938 13.186 9.684 1.362 possible 3175 120 M PHE CD1 5 C3H1s 0.770 1.760 4.919 27.473 20.325 1.352 possible 3176 120 M PHE CD2 6 C3H1b 0.770 1.760 3.073 23.152 20.948 1.105 possible 3177 120 M PHE CE1 6 C3H1b 0.770 1.760 14.127 -1.000 21.532 -1.000 bad 3178 120 M PHE CE2 6 C3H1b 0.770 1.760 7.897 57.301 21.625 2.650 possible 3179 120 M PHE CZ 6 C3H1b 0.770 1.760 25.501 -1.000 21.555 -1.000 bad 3180 121 M PHE N 12 N3H1s 0.700 1.640 2.441 11.852 13.524 0.876 [OK] 3181 121 M PHE CA 3 C4H1s 0.770 1.880 2.846 13.068 13.371 0.977 [OK] 3182 121 M PHE C 1 C3H0s 0.770 1.610 2.536 8.762 8.697 1.008 [OK] 3183 121 M PHE O 16 O1H0u 0.660 1.420 2.541 14.920 15.961 0.935 [OK] 3184 121 M PHE CB 8 C4H2s 0.770 1.880 2.655 21.419 23.623 0.907 [OK] 3185 121 M PHE CG 2 C3H0b 0.770 1.610 2.672 9.739 9.684 1.006 [OK] 3186 121 M PHE CD1 5 C3H1s 0.770 1.760 3.545 23.656 20.325 1.164 possible 3187 121 M PHE CD2 6 C3H1b 0.770 1.760 2.766 20.011 20.948 0.955 [OK] 3188 121 M PHE CE1 6 C3H1b 0.770 1.760 5.728 46.580 21.532 2.163 possible 3189 121 M PHE CE2 6 C3H1b 0.770 1.760 2.772 19.203 21.625 0.888 [OK] 3190 121 M PHE CZ 6 C3H1b 0.770 1.760 4.987 30.927 21.555 1.435 possible 3191 122 M MET N 12 N3H1s 0.700 1.640 2.420 11.718 13.405 0.874 [OK] 3192 122 M MET CA 3 C4H1s 0.770 1.880 3.337 14.559 13.194 1.103 possible 3193 122 M MET C 1 C3H0s 0.770 1.610 2.470 8.382 8.756 0.957 [OK] 3194 122 M MET O 16 O1H0u 0.660 1.420 2.475 13.403 16.002 0.838 [OK] 3195 122 M MET CB 8 C4H2s 0.770 1.880 2.915 24.207 23.418 1.034 [OK] 3196 122 M MET CG 9 C4H2b 0.770 1.880 3.332 27.646 23.830 1.160 possible 3197 122 M MET SD 19 S2H0u 1.040 1.770 2.825 30.664 30.207 1.015 [OK] 3198 122 M MET CE 10 C4H3u 0.770 1.880 3.054 38.518 37.003 1.041 possible 3199 123 M PHE N 12 N3H1s 0.700 1.640 2.707 12.719 13.524 0.940 [OK] 3200 123 M PHE CA 3 C4H1s 0.770 1.880 2.652 13.653 13.371 1.021 [OK] 3201 123 M PHE C 1 C3H0s 0.770 1.610 2.331 7.653 8.697 0.880 [OK] 3202 123 M PHE O 16 O1H0u 0.660 1.420 2.683 15.606 15.961 0.978 [OK] 3203 123 M PHE CB 8 C4H2s 0.770 1.880 2.960 24.298 23.623 1.029 [OK] 3204 123 M PHE CG 2 C3H0b 0.770 1.610 2.533 10.178 9.684 1.051 [OK] 3205 123 M PHE CD1 5 C3H1s 0.770 1.760 2.764 21.770 20.325 1.071 [OK] 3206 123 M PHE CD2 6 C3H1b 0.770 1.760 4.399 25.528 20.948 1.219 possible 3207 123 M PHE CE1 6 C3H1b 0.770 1.760 2.756 21.736 21.532 1.009 [OK] 3208 123 M PHE CE2 6 C3H1b 0.770 1.760 18.523 -1.000 21.625 -1.000 bad 3209 123 M PHE CZ 6 C3H1b 0.770 1.760 14.397 -1.000 21.555 -1.000 bad 3210 124 M VAL N 12 N3H1s 0.700 1.640 2.400 11.927 13.553 0.880 [OK] 3211 124 M VAL CA 3 C4H1s 0.770 1.880 5.440 23.511 13.078 1.798 possible 3212 124 M VAL C 1 C3H0s 0.770 1.610 2.577 7.781 8.528 0.912 [OK] 3213 124 M VAL O 16 O1H0u 0.660 1.420 4.335 20.234 15.998 1.265 possible 3214 124 M VAL CB 4 C4H1b 0.770 1.880 7.099 37.834 14.514 2.607 possible 3215 124 M VAL CG1 10 C4H3u 0.770 1.880 7.849 70.045 36.320 1.929 possible 3216 124 M VAL CG2 10 C4H3u 0.770 1.880 4.528 42.824 36.173 1.184 possible 3217 125 M ALA N 12 N3H1s 0.700 1.640 2.373 11.001 13.872 0.793 [OK] 3218 125 M ALA CA 4 C4H1b 0.770 1.880 2.868 14.837 13.959 1.063 [OK] 3219 125 M ALA C 1 C3H0s 0.770 1.610 2.522 8.502 8.858 0.960 [OK] 3220 125 M ALA O 16 O1H0u 0.660 1.420 2.265 14.236 16.026 0.888 [OK] 3221 125 M ALA CB 10 C4H3u 0.770 1.880 3.372 39.428 36.551 1.079 possible 3222 126 M VAL N 12 N3H1s 0.700 1.640 2.551 11.711 13.553 0.864 [OK] 3223 126 M VAL CA 3 C4H1s 0.770 1.880 2.690 13.552 13.078 1.036 [OK] 3224 126 M VAL C 1 C3H0s 0.770 1.610 2.602 7.880 8.528 0.924 [OK] 3225 126 M VAL O 16 O1H0u 0.660 1.420 2.561 17.039 15.998 1.065 [OK] 3226 126 M VAL CB 4 C4H1b 0.770 1.880 2.704 13.117 14.514 0.904 [OK] 3227 126 M VAL CG1 10 C4H3u 0.770 1.880 3.188 38.829 36.320 1.069 possible 3228 126 M VAL CG2 10 C4H3u 0.770 1.880 3.070 36.074 36.173 0.997 possible 3229 127 M TRP N 12 N3H1s 0.700 1.640 2.684 13.795 13.639 1.011 [OK] 3230 127 M TRP CA 3 C4H1s 0.770 1.880 3.028 13.205 13.323 0.991 possible 3231 127 M TRP C 1 C3H0s 0.770 1.610 4.366 9.459 8.687 1.089 possible 3232 127 M TRP O 16 O1H0u 0.660 1.420 6.555 30.756 15.797 1.947 possible 3233 127 M TRP CB 8 C4H2s 0.770 1.880 19.863 -1.000 23.826 -1.000 bad 3234 127 M TRP CG 2 C3H0b 0.770 1.610 7.367 17.139 9.915 1.729 possible 3235 127 M TRP CD1 5 C3H1s 0.770 1.760 3.914 21.621 20.597 1.050 possible 3236 127 M TRP CD2 2 C3H0b 0.770 1.610 7.489 22.352 10.068 2.220 possible 3237 127 M TRP NE1 13 N3H1b 0.700 1.640 3.744 18.956 16.723 1.134 possible 3238 127 M TRP CE2 2 C3H0b 0.770 1.610 7.232 18.152 9.848 1.843 possible 3239 127 M TRP CE3 6 C3H1b 0.770 1.760 8.993 -1.000 20.383 -1.000 bad 3240 127 M TRP CZ2 6 C3H1b 0.770 1.760 9.473 -1.000 20.931 -1.000 bad 3241 127 M TRP CZ3 6 C3H1b 0.770 1.760 9.352 -1.000 21.429 -1.000 bad 3242 127 M TRP CH2 6 C3H1b 0.770 1.760 17.036 -1.000 21.219 -1.000 bad 3243 128 M SER N 12 N3H1s 0.700 1.640 4.619 16.758 13.808 1.214 possible 3244 128 M SER CA 3 C4H1s 0.770 1.880 5.964 26.014 13.351 1.948 possible 3245 128 M SER C 1 C3H0s 0.770 1.610 2.770 9.141 8.858 1.032 [OK] 3246 128 M SER O 16 O1H0u 0.660 1.420 2.677 14.748 15.860 0.930 [OK] 3247 128 M SER CB 8 C4H2s 0.770 1.880 5.535 35.603 23.599 1.509 possible 3248 128 M SER OG 17 O2H1u 0.660 1.460 2.686 16.233 18.021 0.901 [OK] 3249 129 M TRP N 12 N3H1s 0.700 1.640 2.614 12.622 13.639 0.925 [OK] 3250 129 M TRP CA 3 C4H1s 0.770 1.880 3.113 14.649 13.323 1.100 possible 3251 129 M TRP C 1 C3H0s 0.770 1.610 2.357 8.131 8.687 0.936 [OK] 3252 129 M TRP O 16 O1H0u 0.660 1.420 2.487 15.275 15.797 0.967 [OK] 3253 129 M TRP CB 8 C4H2s 0.770 1.880 2.886 21.930 23.826 0.920 [OK] 3254 129 M TRP CG 2 C3H0b 0.770 1.610 2.479 9.158 9.915 0.924 [OK] 3255 129 M TRP CD1 5 C3H1s 0.770 1.760 2.897 20.643 20.597 1.002 [OK] 3256 129 M TRP CD2 2 C3H0b 0.770 1.610 2.742 10.933 10.068 1.086 [OK] 3257 129 M TRP NE1 13 N3H1b 0.700 1.640 2.712 18.553 16.723 1.109 [OK] 3258 129 M TRP CE2 2 C3H0b 0.770 1.610 2.803 11.363 9.848 1.154 [OK] 3259 129 M TRP CE3 6 C3H1b 0.770 1.760 3.032 23.465 20.383 1.151 possible 3260 129 M TRP CZ2 6 C3H1b 0.770 1.760 4.225 25.859 20.931 1.235 possible 3261 129 M TRP CZ3 6 C3H1b 0.770 1.760 4.058 39.808 21.429 1.858 possible 3262 129 M TRP CH2 6 C3H1b 0.770 1.760 4.955 45.198 21.219 2.130 possible 3263 130 M TRP N 12 N3H1s 0.700 1.640 2.460 12.214 13.639 0.896 [OK] 3264 130 M TRP CA 3 C4H1s 0.770 1.880 2.663 12.686 13.323 0.952 [OK] 3265 130 M TRP C 1 C3H0s 0.770 1.610 2.165 7.701 8.687 0.887 [OK] 3266 130 M TRP O 16 O1H0u 0.660 1.420 2.439 15.518 15.797 0.982 [OK] 3267 130 M TRP CB 8 C4H2s 0.770 1.880 2.889 22.006 23.826 0.924 [OK] 3268 130 M TRP CG 2 C3H0b 0.770 1.610 2.438 9.957 9.915 1.004 [OK] 3269 130 M TRP CD1 5 C3H1s 0.770 1.760 2.474 17.139 20.597 0.832 [OK] 3270 130 M TRP CD2 2 C3H0b 0.770 1.610 2.889 10.828 10.068 1.076 [OK] 3271 130 M TRP NE1 13 N3H1b 0.700 1.640 2.608 14.279 16.723 0.854 [OK] 3272 130 M TRP CE2 2 C3H0b 0.770 1.610 2.894 10.864 9.848 1.103 [OK] 3273 130 M TRP CE3 6 C3H1b 0.770 1.760 5.677 30.988 20.383 1.520 possible 3274 130 M TRP CZ2 6 C3H1b 0.770 1.760 3.430 24.243 20.931 1.158 possible 3275 130 M TRP CZ3 6 C3H1b 0.770 1.760 27.698 -1.000 21.429 -1.000 bad 3276 130 M TRP CH2 6 C3H1b 0.770 1.760 19.506 -1.000 21.219 -1.000 bad 3277 131 M GLY N 12 N3H1s 0.700 1.640 2.980 13.425 14.480 0.927 [OK] 3278 131 M GLY CA 8 C4H2s 0.770 1.880 7.331 61.280 23.470 2.611 possible 3279 131 M GLY C 2 C3H0b 0.770 1.610 2.634 8.820 9.652 0.914 [OK] 3280 131 M GLY O 16 O1H0u 0.660 1.420 3.742 16.874 16.154 1.045 possible 3281 132 M ARG N 12 N3H1s 0.700 1.640 2.323 11.377 13.486 0.844 [OK] 3282 132 M ARG CA 3 C4H1s 0.770 1.880 3.406 17.827 13.310 1.339 possible 3283 132 M ARG C 1 C3H0s 0.770 1.610 2.243 8.093 8.779 0.922 [OK] 3284 132 M ARG O 16 O1H0u 0.660 1.420 2.418 15.724 15.916 0.988 [OK] 3285 132 M ARG CB 8 C4H2s 0.770 1.880 3.173 22.579 22.833 0.989 possible 3286 132 M ARG CG 8 C4H2s 0.770 1.880 3.110 24.582 23.273 1.056 possible 3287 132 M ARG CD 8 C4H2s 0.770 1.880 3.147 23.886 22.849 1.045 possible 3288 132 M ARG NE 13 N3H1b 0.700 1.640 2.815 16.868 15.019 1.123 [OK] 3289 132 M ARG CZ 2 C3H0b 0.770 1.610 3.343 11.906 9.678 1.230 possible 3290 132 M ARG NH1 15 N3H2u 0.700 1.640 3.230 20.440 22.056 0.927 possible 3291 132 M ARG NH2 15 N3H2u 0.700 1.640 3.448 26.086 23.132 1.128 possible 3292 133 M THR N 12 N3H1s 0.700 1.640 2.649 12.862 13.544 0.950 [OK] 3293 133 M THR CA 3 C4H1s 0.770 1.880 2.817 13.993 13.025 1.074 [OK] 3294 133 M THR C 1 C3H0s 0.770 1.610 2.346 7.649 8.685 0.881 [OK] 3295 133 M THR O 16 O1H0u 0.660 1.420 2.392 18.633 15.795 1.180 [OK] 3296 133 M THR CB 4 C4H1b 0.770 1.880 2.784 13.672 14.687 0.931 [OK] 3297 133 M THR OG1 17 O2H1u 0.660 1.460 2.553 25.142 17.610 1.428 [OK] 3298 133 M THR CG2 10 C4H3u 0.770 1.880 2.938 32.163 36.265 0.887 [OK] 3299 134 M TYR N 12 N3H1s 0.700 1.640 2.577 13.072 13.473 0.970 [OK] 3300 134 M TYR CA 3 C4H1s 0.770 1.880 2.774 14.799 13.249 1.117 [OK] 3301 134 M TYR C 1 C3H0s 0.770 1.610 2.169 7.872 8.714 0.903 [OK] 3302 134 M TYR O 16 O1H0u 0.660 1.420 2.355 14.578 15.901 0.917 [OK] 3303 134 M TYR CB 8 C4H2s 0.770 1.880 3.972 28.478 23.426 1.216 possible 3304 134 M TYR CG 2 C3H0b 0.770 1.610 4.535 13.913 9.695 1.435 possible 3305 134 M TYR CD1 5 C3H1s 0.770 1.760 5.783 25.820 20.057 1.287 possible 3306 134 M TYR CD2 5 C3H1s 0.770 1.760 4.725 26.554 20.578 1.290 possible 3307 134 M TYR CE1 5 C3H1s 0.770 1.760 7.831 37.778 20.534 1.840 possible 3308 134 M TYR CE2 5 C3H1s 0.770 1.760 6.485 47.151 20.577 2.291 possible 3309 134 M TYR CZ 2 C3H0b 0.770 1.610 7.002 16.763 9.888 1.695 possible 3310 134 M TYR OH 17 O2H1u 0.660 1.460 31.248 -1.000 18.541 -1.000 bad 3311 135 M LEU N 12 N3H1s 0.700 1.640 2.467 12.105 13.517 0.896 [OK] 3312 135 M LEU CA 3 C4H1s 0.770 1.880 2.753 12.229 13.055 0.937 [OK] 3313 135 M LEU C 1 C3H0s 0.770 1.610 2.262 7.911 8.781 0.901 [OK] 3314 135 M LEU O 16 O1H0u 0.660 1.420 3.703 19.379 15.957 1.214 possible 3315 135 M LEU CB 8 C4H2s 0.770 1.880 4.378 26.091 22.818 1.143 possible 3316 135 M LEU CG 4 C4H1b 0.770 1.880 4.491 15.267 14.704 1.038 possible 3317 135 M LEU CD1 10 C4H3u 0.770 1.880 33.086 -1.000 37.235 -1.000 bad 3318 135 M LEU CD2 10 C4H3u 0.770 1.880 32.739 -1.000 37.020 -1.000 bad 3319 136 M ARG N 12 N3H1s 0.700 1.640 2.312 12.547 13.486 0.930 [OK] 3320 136 M ARG CA 3 C4H1s 0.770 1.880 2.687 12.489 13.310 0.938 [OK] 3321 136 M ARG C 1 C3H0s 0.770 1.610 2.234 8.186 8.779 0.932 [OK] 3322 136 M ARG O 16 O1H0u 0.660 1.420 2.728 19.718 15.916 1.239 [OK] 3323 136 M ARG CB 8 C4H2s 0.770 1.880 3.186 24.112 22.833 1.056 possible 3324 136 M ARG CG 8 C4H2s 0.770 1.880 3.103 27.173 23.273 1.168 possible 3325 136 M ARG CD 8 C4H2s 0.770 1.880 3.115 27.291 22.849 1.194 possible 3326 136 M ARG NE 13 N3H1b 0.700 1.640 2.683 14.955 15.019 0.996 [OK] 3327 136 M ARG CZ 2 C3H0b 0.770 1.610 2.636 9.828 9.678 1.015 [OK] 3328 136 M ARG NH1 15 N3H2u 0.700 1.640 5.035 45.102 22.056 2.045 possible 3329 136 M ARG NH2 15 N3H2u 0.700 1.640 3.615 30.575 23.132 1.322 possible 3330 137 M ALA N 12 N3H1s 0.700 1.640 2.348 12.542 13.872 0.904 [OK] 3331 137 M ALA CA 4 C4H1b 0.770 1.880 2.899 15.319 13.959 1.097 [OK] 3332 137 M ALA C 1 C3H0s 0.770 1.610 2.257 8.526 8.858 0.963 [OK] 3333 137 M ALA O 16 O1H0u 0.660 1.420 2.372 15.450 16.026 0.964 [OK] 3334 137 M ALA CB 10 C4H3u 0.770 1.880 3.138 35.445 36.551 0.970 possible 3335 138 M GLN N 12 N3H1s 0.700 1.640 2.294 11.638 13.449 0.865 [OK] 3336 138 M GLN CA 3 C4H1s 0.770 1.880 2.675 13.016 13.231 0.984 [OK] 3337 138 M GLN C 1 C3H0s 0.770 1.610 2.972 8.117 8.744 0.928 [OK] 3338 138 M GLN O 16 O1H0u 0.660 1.420 3.228 19.571 15.767 1.241 possible 3339 138 M GLN CB 8 C4H2s 0.770 1.880 3.626 23.994 23.059 1.041 possible 3340 138 M GLN CG 8 C4H2s 0.770 1.880 5.314 39.501 23.218 1.701 possible 3341 138 M GLN CD 2 C3H0b 0.770 1.610 5.738 14.780 9.618 1.537 possible 3342 138 M GLN OE1 16 O1H0u 0.660 1.420 26.929 -1.000 16.571 -1.000 bad 3343 138 M GLN NE2 15 N3H2u 0.700 1.640 22.435 -1.000 23.255 -1.000 bad 3344 139 M ALA N 12 N3H1s 0.700 1.640 3.557 14.659 13.872 1.057 possible 3345 139 M ALA CA 4 C4H1b 0.770 1.880 4.894 20.827 13.959 1.492 possible 3346 139 M ALA C 1 C3H0s 0.770 1.610 2.927 9.832 8.858 1.110 [OK] 3347 139 M ALA O 16 O1H0u 0.660 1.420 2.781 16.582 16.026 1.035 [OK] 3348 139 M ALA CB 10 C4H3u 0.770 1.880 4.959 51.152 36.551 1.399 possible 3349 140 M LEU N 12 N3H1s 0.700 1.640 2.554 13.164 13.517 0.974 [OK] 3350 140 M LEU CA 3 C4H1s 0.770 1.880 2.709 11.981 13.055 0.918 [OK] 3351 140 M LEU C 1 C3H0s 0.770 1.610 2.746 9.672 8.781 1.101 [OK] 3352 140 M LEU O 16 O1H0u 0.660 1.420 2.539 16.697 15.957 1.046 [OK] 3353 140 M LEU CB 8 C4H2s 0.770 1.880 2.917 23.705 22.818 1.039 [OK] 3354 140 M LEU CG 4 C4H1b 0.770 1.880 2.892 15.345 14.704 1.044 [OK] 3355 140 M LEU CD1 10 C4H3u 0.770 1.880 3.186 41.550 37.235 1.116 possible 3356 140 M LEU CD2 10 C4H3u 0.770 1.880 2.985 38.709 37.020 1.046 [OK] 3357 141 M GLY N 12 N3H1s 0.700 1.640 3.388 15.684 14.480 1.083 possible 3358 141 M GLY CA 8 C4H2s 0.770 1.880 3.779 26.154 23.470 1.114 possible 3359 141 M GLY C 2 C3H0b 0.770 1.610 2.308 8.596 9.652 0.891 [OK] 3360 141 M GLY O 16 O1H0u 0.660 1.420 2.308 15.294 16.154 0.947 [OK] 3361 142 M MET N 12 N3H1s 0.700 1.640 2.482 12.185 13.405 0.909 [OK] 3362 142 M MET CA 3 C4H1s 0.770 1.880 2.911 13.865 13.194 1.051 [OK] 3363 142 M MET C 1 C3H0s 0.770 1.610 2.548 9.246 8.756 1.056 [OK] 3364 142 M MET O 16 O1H0u 0.660 1.420 3.077 16.389 16.002 1.024 possible 3365 142 M MET CB 8 C4H2s 0.770 1.880 3.042 24.749 23.418 1.057 possible 3366 142 M MET CG 9 C4H2b 0.770 1.880 2.969 23.553 23.830 0.988 [OK] 3367 142 M MET SD 19 S2H0u 1.040 1.770 2.939 31.279 30.207 1.035 [OK] 3368 142 M MET CE 10 C4H3u 0.770 1.880 3.063 40.496 37.003 1.094 possible 3369 143 M GLY N 12 N3H1s 0.700 1.640 2.589 13.697 14.480 0.946 [OK] 3370 143 M GLY CA 8 C4H2s 0.770 1.880 5.453 39.381 23.470 1.678 possible 3371 143 M GLY C 2 C3H0b 0.770 1.610 2.447 8.915 9.652 0.924 [OK] 3372 143 M GLY O 16 O1H0u 0.660 1.420 2.331 13.961 16.154 0.864 [OK] 3373 144 M LYS N 12 N3H1s 0.700 1.640 6.007 32.133 13.429 2.393 possible 3374 144 M LYS CA 3 C4H1s 0.770 1.880 2.634 12.457 13.217 0.942 [OK] 3375 144 M LYS C 1 C3H0s 0.770 1.610 2.950 9.838 8.696 1.131 [OK] 3376 144 M LYS O 16 O1H0u 0.660 1.420 2.506 13.940 15.818 0.881 [OK] 3377 144 M LYS CB 8 C4H2s 0.770 1.880 6.719 36.165 22.578 1.602 possible 3378 144 M LYS CG 8 C4H2s 0.770 1.880 2.944 22.787 22.847 0.997 [OK] 3379 144 M LYS CD 8 C4H2s 0.770 1.880 7.204 53.308 23.365 2.282 possible 3380 144 M LYS CE 9 C4H2b 0.770 1.880 2.740 22.280 23.720 0.939 [OK] 3381 144 M LYS NZ 14 N4H3u 0.700 1.640 4.512 30.798 21.413 1.438 possible 3382 145 M HIS N 12 N3H1s 0.700 1.640 3.122 13.556 13.532 1.002 possible 3383 145 M HIS CA 3 C4H1s 0.770 1.880 3.179 17.113 13.335 1.283 possible 3384 145 M HIS C 1 C3H0s 0.770 1.610 2.379 8.266 8.760 0.944 [OK] 3385 145 M HIS O 16 O1H0u 0.660 1.420 2.423 14.849 15.855 0.937 [OK] 3386 145 M HIS CB 8 C4H2s 0.770 1.880 3.030 22.271 23.443 0.950 possible 3387 145 M HIS CG 2 C3H0b 0.770 1.610 2.985 10.651 9.870 1.079 [OK] 3388 145 M HIS ND1 13 N3H1b 0.700 1.640 3.344 14.820 15.483 0.957 possible 3389 145 M HIS CD2 5 C3H1s 0.770 1.760 3.039 21.396 20.938 1.022 possible 3390 145 M HIS CE1 5 C3H1s 0.770 1.760 4.142 29.933 20.491 1.461 possible 3391 145 M HIS NE2 13 N3H1b 0.700 1.640 2.841 16.216 15.758 1.029 [OK] 3392 146 M THR N 12 N3H1s 0.700 1.640 2.720 13.854 13.544 1.023 [OK] 3393 146 M THR CA 3 C4H1s 0.770 1.880 3.136 14.780 13.025 1.135 possible 3394 146 M THR C 1 C3H0s 0.770 1.610 2.169 7.882 8.685 0.908 [OK] 3395 146 M THR O 16 O1H0u 0.660 1.420 2.542 16.483 15.795 1.044 [OK] 3396 146 M THR CB 4 C4H1b 0.770 1.880 2.702 14.000 14.687 0.953 [OK] 3397 146 M THR OG1 17 O2H1u 0.660 1.460 2.949 26.078 17.610 1.481 [OK] 3398 146 M THR CG2 10 C4H3u 0.770 1.880 3.227 39.266 36.265 1.083 possible 3399 147 M ALA N 12 N3H1s 0.700 1.640 2.270 11.818 13.872 0.852 [OK] 3400 147 M ALA CA 4 C4H1b 0.770 1.880 2.602 11.815 13.959 0.846 [OK] 3401 147 M ALA C 1 C3H0s 0.770 1.610 2.754 8.740 8.858 0.987 [OK] 3402 147 M ALA O 16 O1H0u 0.660 1.420 2.133 11.690 16.026 0.729 [OK] 3403 147 M ALA CB 10 C4H3u 0.770 1.880 3.083 38.021 36.551 1.040 possible 3404 148 M TRP N 12 N3H1s 0.700 1.640 2.733 13.356 13.639 0.979 [OK] 3405 148 M TRP CA 3 C4H1s 0.770 1.880 2.895 12.274 13.323 0.921 [OK] 3406 148 M TRP C 1 C3H0s 0.770 1.610 2.524 8.175 8.687 0.941 [OK] 3407 148 M TRP O 16 O1H0u 0.660 1.420 2.586 15.870 15.797 1.005 [OK] 3408 148 M TRP CB 8 C4H2s 0.770 1.880 2.867 20.344 23.826 0.854 [OK] 3409 148 M TRP CG 2 C3H0b 0.770 1.610 3.983 13.333 9.915 1.345 possible 3410 148 M TRP CD1 5 C3H1s 0.770 1.760 4.036 27.989 20.597 1.359 possible 3411 148 M TRP CD2 2 C3H0b 0.770 1.610 6.395 17.627 10.068 1.751 possible 3412 148 M TRP NE1 13 N3H1b 0.700 1.640 12.337 -1.000 16.723 -1.000 bad 3413 148 M TRP CE2 2 C3H0b 0.770 1.610 6.526 19.443 9.848 1.974 possible 3414 148 M TRP CE3 6 C3H1b 0.770 1.760 7.288 36.854 20.383 1.808 possible 3415 148 M TRP CZ2 6 C3H1b 0.770 1.760 19.541 -1.000 20.931 -1.000 bad 3416 148 M TRP CZ3 6 C3H1b 0.770 1.760 21.600 -1.000 21.429 -1.000 bad 3417 148 M TRP CH2 6 C3H1b 0.770 1.760 24.786 -1.000 21.219 -1.000 bad 3418 149 M ALA N 12 N3H1s 0.700 1.640 2.547 13.274 13.872 0.957 [OK] 3419 149 M ALA CA 4 C4H1b 0.770 1.880 2.776 13.843 13.959 0.992 [OK] 3420 149 M ALA C 1 C3H0s 0.770 1.610 2.328 7.940 8.858 0.896 [OK] 3421 149 M ALA O 16 O1H0u 0.660 1.420 2.675 18.772 16.026 1.171 [OK] 3422 149 M ALA CB 10 C4H3u 0.770 1.880 3.223 40.567 36.551 1.110 possible 3423 150 M PHE N 12 N3H1s 0.700 1.640 2.392 11.900 13.524 0.880 [OK] 3424 150 M PHE CA 3 C4H1s 0.770 1.880 2.859 13.265 13.371 0.992 [OK] 3425 150 M PHE C 1 C3H0s 0.770 1.610 2.262 8.170 8.697 0.939 [OK] 3426 150 M PHE O 16 O1H0u 0.660 1.420 2.410 13.834 15.961 0.867 [OK] 3427 150 M PHE CB 8 C4H2s 0.770 1.880 2.920 21.966 23.623 0.930 [OK] 3428 150 M PHE CG 2 C3H0b 0.770 1.610 2.723 9.516 9.684 0.983 [OK] 3429 150 M PHE CD1 5 C3H1s 0.770 1.760 2.638 16.185 20.325 0.796 [OK] 3430 150 M PHE CD2 6 C3H1b 0.770 1.760 2.877 17.457 20.948 0.833 [OK] 3431 150 M PHE CE1 6 C3H1b 0.770 1.760 3.078 21.424 21.532 0.995 possible 3432 150 M PHE CE2 6 C3H1b 0.770 1.760 2.933 20.737 21.625 0.959 [OK] 3433 150 M PHE CZ 6 C3H1b 0.770 1.760 2.900 23.504 21.555 1.090 [OK] 3434 151 M LEU N 12 N3H1s 0.700 1.640 2.327 12.154 13.517 0.899 [OK] 3435 151 M LEU CA 3 C4H1s 0.770 1.880 2.397 10.865 13.055 0.832 [OK] 3436 151 M LEU C 1 C3H0s 0.770 1.610 2.518 8.326 8.781 0.948 [OK] 3437 151 M LEU O 16 O1H0u 0.660 1.420 3.366 15.973 15.957 1.001 possible 3438 151 M LEU CB 8 C4H2s 0.770 1.880 3.444 25.484 22.818 1.117 possible 3439 151 M LEU CG 4 C4H1b 0.770 1.880 7.942 43.951 14.704 2.989 possible 3440 151 M LEU CD1 10 C4H3u 0.770 1.880 7.249 65.446 37.235 1.758 possible 3441 151 M LEU CD2 10 C4H3u 0.770 1.880 3.951 29.581 37.020 0.799 possible 3442 152 M SER N 12 N3H1s 0.700 1.640 2.669 15.127 13.808 1.096 [OK] 3443 152 M SER CA 3 C4H1s 0.770 1.880 2.932 15.071 13.351 1.129 [OK] 3444 152 M SER C 1 C3H0s 0.770 1.610 2.183 7.416 8.858 0.837 [OK] 3445 152 M SER O 16 O1H0u 0.660 1.420 2.511 15.507 15.860 0.978 [OK] 3446 152 M SER CB 8 C4H2s 0.770 1.880 3.017 21.506 23.599 0.911 possible 3447 152 M SER OG 17 O2H1u 0.660 1.460 2.555 20.144 18.021 1.118 [OK] 3448 153 M ALA N 12 N3H1s 0.700 1.640 2.628 14.490 13.872 1.045 [OK] 3449 153 M ALA CA 4 C4H1b 0.770 1.880 2.800 14.271 13.959 1.022 [OK] 3450 153 M ALA C 1 C3H0s 0.770 1.610 2.421 8.874 8.858 1.002 [OK] 3451 153 M ALA O 16 O1H0u 0.660 1.420 2.379 16.386 16.026 1.022 [OK] 3452 153 M ALA CB 10 C4H3u 0.770 1.880 3.252 38.124 36.551 1.043 possible 3453 154 M ILE N 12 N3H1s 0.700 1.640 2.716 13.232 13.493 0.981 [OK] 3454 154 M ILE CA 3 C4H1s 0.770 1.880 2.741 14.328 12.946 1.107 [OK] 3455 154 M ILE C 1 C3H0s 0.770 1.610 2.525 7.610 8.445 0.901 [OK] 3456 154 M ILE O 16 O1H0u 0.660 1.420 2.439 13.034 15.930 0.818 [OK] 3457 154 M ILE CB 4 C4H1b 0.770 1.880 2.493 11.875 14.146 0.839 [OK] 3458 154 M ILE CG1 9 C4H2b 0.770 1.880 3.080 24.615 24.071 1.023 possible 3459 154 M ILE CG2 10 C4H3u 0.770 1.880 4.532 37.327 35.763 1.044 possible 3460 154 M ILE CD1 10 C4H3u 0.770 1.880 3.177 33.601 38.219 0.879 possible 3461 155 M TRP N 12 N3H1s 0.700 1.640 3.373 12.368 13.639 0.907 possible 3462 155 M TRP CA 3 C4H1s 0.770 1.880 4.308 18.753 13.323 1.408 possible 3463 155 M TRP C 1 C3H0s 0.770 1.610 2.535 8.139 8.687 0.937 [OK] 3464 155 M TRP O 16 O1H0u 0.660 1.420 2.380 13.715 15.797 0.868 [OK] 3465 155 M TRP CB 8 C4H2s 0.770 1.880 4.116 24.969 23.826 1.048 possible 3466 155 M TRP CG 2 C3H0b 0.770 1.610 2.545 9.273 9.915 0.935 [OK] 3467 155 M TRP CD1 5 C3H1s 0.770 1.760 2.795 19.749 20.597 0.959 [OK] 3468 155 M TRP CD2 2 C3H0b 0.770 1.610 2.510 9.509 10.068 0.945 [OK] 3469 155 M TRP NE1 13 N3H1b 0.700 1.640 3.238 16.858 16.723 1.008 possible 3470 155 M TRP CE2 2 C3H0b 0.770 1.610 3.066 10.536 9.848 1.070 possible 3471 155 M TRP CE3 6 C3H1b 0.770 1.760 5.994 40.461 20.383 1.985 possible 3472 155 M TRP CZ2 6 C3H1b 0.770 1.760 5.795 38.083 20.931 1.819 possible 3473 155 M TRP CZ3 6 C3H1b 0.770 1.760 15.201 -1.000 21.429 -1.000 bad 3474 155 M TRP CH2 6 C3H1b 0.770 1.760 15.908 -1.000 21.219 -1.000 bad 3475 156 M LEU N 12 N3H1s 0.700 1.640 2.478 14.330 13.517 1.060 [OK] 3476 156 M LEU CA 3 C4H1s 0.770 1.880 2.731 13.753 13.055 1.053 [OK] 3477 156 M LEU C 1 C3H0s 0.770 1.610 2.574 8.596 8.781 0.979 [OK] 3478 156 M LEU O 16 O1H0u 0.660 1.420 2.453 13.596 15.957 0.852 [OK] 3479 156 M LEU CB 8 C4H2s 0.770 1.880 2.856 23.185 22.818 1.016 [OK] 3480 156 M LEU CG 4 C4H1b 0.770 1.880 3.272 17.871 14.704 1.215 possible 3481 156 M LEU CD1 10 C4H3u 0.770 1.880 3.180 36.667 37.235 0.985 possible 3482 156 M LEU CD2 10 C4H3u 0.770 1.880 2.933 34.204 37.020 0.924 [OK] 3483 157 M TRP N 12 N3H1s 0.700 1.640 2.707 14.961 13.639 1.097 [OK] 3484 157 M TRP CA 3 C4H1s 0.770 1.880 2.906 16.112 13.323 1.209 [OK] 3485 157 M TRP C 1 C3H0s 0.770 1.610 2.252 8.056 8.687 0.927 [OK] 3486 157 M TRP O 16 O1H0u 0.660 1.420 2.187 15.729 15.797 0.996 [OK] 3487 157 M TRP CB 8 C4H2s 0.770 1.880 2.766 23.440 23.826 0.984 [OK] 3488 157 M TRP CG 2 C3H0b 0.770 1.610 2.427 9.756 9.915 0.984 [OK] 3489 157 M TRP CD1 5 C3H1s 0.770 1.760 2.847 23.175 20.597 1.125 [OK] 3490 157 M TRP CD2 2 C3H0b 0.770 1.610 2.504 10.504 10.068 1.043 [OK] 3491 157 M TRP NE1 13 N3H1b 0.700 1.640 2.784 17.649 16.723 1.055 [OK] 3492 157 M TRP CE2 2 C3H0b 0.770 1.610 2.612 9.788 9.848 0.994 [OK] 3493 157 M TRP CE3 6 C3H1b 0.770 1.760 2.639 19.224 20.383 0.943 [OK] 3494 157 M TRP CZ2 6 C3H1b 0.770 1.760 2.800 20.671 20.931 0.988 [OK] 3495 157 M TRP CZ3 6 C3H1b 0.770 1.760 3.017 19.754 21.429 0.922 possible 3496 157 M TRP CH2 6 C3H1b 0.770 1.760 2.626 20.269 21.219 0.955 [OK] 3497 158 M MET N 12 N3H1s 0.700 1.640 2.297 11.494 13.405 0.857 [OK] 3498 158 M MET CA 3 C4H1s 0.770 1.880 2.522 12.516 13.194 0.949 [OK] 3499 158 M MET C 1 C3H0s 0.770 1.610 2.143 7.920 8.756 0.904 [OK] 3500 158 M MET O 16 O1H0u 0.660 1.420 2.295 13.880 16.002 0.867 [OK] 3501 158 M MET CB 8 C4H2s 0.770 1.880 3.638 25.030 23.418 1.069 possible 3502 158 M MET CG 9 C4H2b 0.770 1.880 5.376 35.837 23.830 1.504 possible 3503 158 M MET SD 19 S2H0u 1.040 1.770 2.786 26.814 30.207 0.888 [OK] 3504 158 M MET CE 10 C4H3u 0.770 1.880 19.218 -1.000 37.003 -1.000 bad 3505 159 M VAL N 12 N3H1s 0.700 1.640 2.402 11.907 13.553 0.879 [OK] 3506 159 M VAL CA 3 C4H1s 0.770 1.880 2.838 13.374 13.078 1.023 [OK] 3507 159 M VAL C 1 C3H0s 0.770 1.610 2.556 8.462 8.528 0.992 [OK] 3508 159 M VAL O 16 O1H0u 0.660 1.420 2.568 16.688 15.998 1.043 [OK] 3509 159 M VAL CB 4 C4H1b 0.770 1.880 2.795 14.785 14.514 1.019 [OK] 3510 159 M VAL CG1 10 C4H3u 0.770 1.880 2.933 36.419 36.320 1.003 [OK] 3511 159 M VAL CG2 10 C4H3u 0.770 1.880 3.065 34.936 36.173 0.966 possible 3512 160 M LEU N 12 N3H1s 0.700 1.640 2.643 13.221 13.517 0.978 [OK] 3513 160 M LEU CA 3 C4H1s 0.770 1.880 3.226 15.069 13.055 1.154 possible 3514 160 M LEU C 1 C3H0s 0.770 1.610 2.684 9.106 8.781 1.037 [OK] 3515 160 M LEU O 16 O1H0u 0.660 1.420 2.895 24.062 15.957 1.508 [OK] 3516 160 M LEU CB 8 C4H2s 0.770 1.880 2.902 21.426 22.818 0.939 [OK] 3517 160 M LEU CG 4 C4H1b 0.770 1.880 2.933 13.150 14.704 0.894 [OK] 3518 160 M LEU CD1 10 C4H3u 0.770 1.880 3.047 38.708 37.235 1.040 possible 3519 160 M LEU CD2 10 C4H3u 0.770 1.880 3.427 38.482 37.020 1.040 possible 3520 161 M GLY N 12 N3H1s 0.700 1.640 2.729 14.506 14.480 1.002 [OK] 3521 161 M GLY CA 8 C4H2s 0.770 1.880 3.139 25.535 23.470 1.088 possible 3522 161 M GLY C 2 C3H0b 0.770 1.610 2.152 8.718 9.652 0.903 [OK] 3523 161 M GLY O 16 O1H0u 0.660 1.420 2.694 22.120 16.154 1.369 [OK] 3524 162 M PHE N 12 N3H1s 0.700 1.640 2.372 13.479 13.524 0.997 [OK] 3525 162 M PHE CA 3 C4H1s 0.770 1.880 2.675 11.998 13.371 0.897 [OK] 3526 162 M PHE C 1 C3H0s 0.770 1.610 2.243 8.032 8.697 0.923 [OK] 3527 162 M PHE O 16 O1H0u 0.660 1.420 2.334 15.644 15.961 0.980 [OK] 3528 162 M PHE CB 8 C4H2s 0.770 1.880 2.876 20.219 23.623 0.856 [OK] 3529 162 M PHE CG 2 C3H0b 0.770 1.610 2.670 10.006 9.684 1.033 [OK] 3530 162 M PHE CD1 5 C3H1s 0.770 1.760 2.844 20.298 20.325 0.999 [OK] 3531 162 M PHE CD2 6 C3H1b 0.770 1.760 3.424 20.305 20.948 0.969 possible 3532 162 M PHE CE1 6 C3H1b 0.770 1.760 4.055 24.546 21.532 1.140 possible 3533 162 M PHE CE2 6 C3H1b 0.770 1.760 20.508 -1.000 21.625 -1.000 bad 3534 162 M PHE CZ 6 C3H1b 0.770 1.760 12.642 -1.000 21.555 -1.000 bad 3535 163 M ILE N 12 N3H1s 0.700 1.640 2.269 12.563 13.493 0.931 [OK] 3536 163 M ILE CA 3 C4H1s 0.770 1.880 3.728 15.956 12.946 1.233 possible 3537 163 M ILE C 1 C3H0s 0.770 1.610 2.319 8.293 8.445 0.982 [OK] 3538 163 M ILE O 16 O1H0u 0.660 1.420 2.713 14.408 15.930 0.904 [OK] 3539 163 M ILE CB 4 C4H1b 0.770 1.880 2.903 14.534 14.146 1.027 [OK] 3540 163 M ILE CG1 9 C4H2b 0.770 1.880 5.930 32.170 24.071 1.336 possible 3541 163 M ILE CG2 10 C4H3u 0.770 1.880 23.526 -1.000 35.763 -1.000 bad 3542 163 M ILE CD1 10 C4H3u 0.770 1.880 20.044 -1.000 38.219 -1.000 bad 3543 164 M ARG N 12 N3H1s 0.700 1.640 2.651 14.433 13.486 1.070 [OK] 3544 164 M ARG CA 3 C4H1s 0.770 1.880 2.830 13.937 13.310 1.047 [OK] 3545 164 M ARG C 1 C3H0s 0.770 1.610 2.740 8.769 8.779 0.999 [OK] 3546 164 M ARG O 16 O1H0u 0.660 1.420 2.407 13.246 15.916 0.832 [OK] 3547 164 M ARG CB 8 C4H2s 0.770 1.880 3.023 23.881 22.833 1.046 possible 3548 164 M ARG CG 8 C4H2s 0.770 1.880 3.062 26.297 23.273 1.130 possible 3549 164 M ARG CD 8 C4H2s 0.770 1.880 3.481 31.969 22.849 1.399 possible 3550 164 M ARG NE 13 N3H1b 0.700 1.640 2.589 15.483 15.019 1.031 [OK] 3551 164 M ARG CZ 2 C3H0b 0.770 1.610 2.476 8.716 9.678 0.901 [OK] 3552 164 M ARG NH1 15 N3H2u 0.700 1.640 3.228 25.787 22.056 1.169 possible 3553 164 M ARG NH2 15 N3H2u 0.700 1.640 2.964 21.866 23.132 0.945 [OK] 3554 165 M PRO N 11 N3H0u 0.700 1.640 2.925 9.501 8.650 1.098 [OK] 3555 165 M PRO CA 4 C4H1b 0.770 1.880 2.707 14.366 13.828 1.039 [OK] 3556 165 M PRO C 1 C3H0s 0.770 1.610 2.378 8.302 8.768 0.947 [OK] 3557 165 M PRO O 16 O1H0u 0.660 1.420 2.386 14.554 15.856 0.918 [OK] 3558 165 M PRO CB 9 C4H2b 0.770 1.880 2.916 25.408 25.314 1.004 [OK] 3559 165 M PRO CG 9 C4H2b 0.770 1.880 2.977 24.164 25.480 0.948 [OK] 3560 165 M PRO CD 8 C4H2s 0.770 1.880 3.229 22.505 23.390 0.962 possible 3561 166 M ILE N 12 N3H1s 0.700 1.640 2.397 12.939 13.493 0.959 [OK] 3562 166 M ILE CA 3 C4H1s 0.770 1.880 2.485 11.442 12.946 0.884 [OK] 3563 166 M ILE C 1 C3H0s 0.770 1.610 2.418 7.845 8.445 0.929 [OK] 3564 166 M ILE O 16 O1H0u 0.660 1.420 10.635 -1.000 15.930 -1.000 bad 3565 166 M ILE CB 4 C4H1b 0.770 1.880 3.053 12.847 14.146 0.908 possible 3566 166 M ILE CG1 9 C4H2b 0.770 1.880 5.728 30.641 24.071 1.273 possible 3567 166 M ILE CG2 10 C4H3u 0.770 1.880 37.096 -1.000 35.763 -1.000 bad 3568 166 M ILE CD1 10 C4H3u 0.770 1.880 17.014 -1.000 38.219 -1.000 bad 3569 167 M LEU N 12 N3H1s 0.700 1.640 2.486 11.690 13.517 0.865 [OK] 3570 167 M LEU CA 3 C4H1s 0.770 1.880 4.430 16.187 13.055 1.240 possible 3571 167 M LEU C 1 C3H0s 0.770 1.610 3.164 10.195 8.781 1.161 possible 3572 167 M LEU O 16 O1H0u 0.660 1.420 23.730 -1.000 15.957 -1.000 bad 3573 167 M LEU CB 8 C4H2s 0.770 1.880 3.165 21.243 22.818 0.931 possible 3574 167 M LEU CG 4 C4H1b 0.770 1.880 4.104 18.156 14.704 1.235 possible 3575 167 M LEU CD1 10 C4H3u 0.770 1.880 7.664 68.409 37.235 1.837 possible 3576 167 M LEU CD2 10 C4H3u 0.770 1.880 54.879 -1.000 37.020 -1.000 bad 3577 168 M MET N 12 N3H1s 0.700 1.640 2.302 11.207 13.405 0.836 [OK] 3578 168 M MET CA 3 C4H1s 0.770 1.880 4.622 16.401 13.194 1.243 possible 3579 168 M MET C 1 C3H0s 0.770 1.610 5.314 14.016 8.756 1.601 possible 3580 168 M MET O 16 O1H0u 0.660 1.420 29.906 -1.000 16.002 -1.000 bad 3581 168 M MET CB 8 C4H2s 0.770 1.880 3.248 26.171 23.418 1.118 possible 3582 168 M MET CG 9 C4H2b 0.770 1.880 2.854 20.474 23.830 0.859 [OK] 3583 168 M MET SD 19 S2H0u 1.040 1.770 4.769 36.561 30.207 1.210 possible 3584 168 M MET CE 10 C4H3u 0.770 1.880 7.612 85.414 37.003 2.308 possible 3585 169 M GLY N 12 N3H1s 0.700 1.640 4.124 15.834 14.480 1.094 possible 3586 169 M GLY CA 8 C4H2s 0.770 1.880 25.417 -1.000 23.470 -1.000 bad 3587 169 M GLY C 2 C3H0b 0.770 1.610 3.504 10.539 9.652 1.092 possible 3588 169 M GLY O 16 O1H0u 0.660 1.420 15.443 -1.000 16.154 -1.000 bad 3589 170 M SER N 12 N3H1s 0.700 1.640 2.680 14.582 13.808 1.056 [OK] 3590 170 M SER CA 3 C4H1s 0.770 1.880 2.319 11.189 13.351 0.838 [OK] 3591 170 M SER C 1 C3H0s 0.770 1.610 2.349 8.257 8.858 0.932 [OK] 3592 170 M SER O 16 O1H0u 0.660 1.420 2.469 16.507 15.860 1.041 [OK] 3593 170 M SER CB 8 C4H2s 0.770 1.880 4.917 26.425 23.599 1.120 possible 3594 170 M SER OG 17 O2H1u 0.660 1.460 5.167 41.626 18.021 2.310 possible 3595 171 M TRP N 12 N3H1s 0.700 1.640 2.275 12.070 13.639 0.885 [OK] 3596 171 M TRP CA 3 C4H1s 0.770 1.880 2.867 13.036 13.323 0.978 [OK] 3597 171 M TRP C 1 C3H0s 0.770 1.610 2.361 8.509 8.687 0.980 [OK] 3598 171 M TRP O 16 O1H0u 0.660 1.420 2.501 15.277 15.797 0.967 [OK] 3599 171 M TRP CB 8 C4H2s 0.770 1.880 2.726 19.378 23.826 0.813 [OK] 3600 171 M TRP CG 2 C3H0b 0.770 1.610 2.281 9.486 9.915 0.957 [OK] 3601 171 M TRP CD1 5 C3H1s 0.770 1.760 2.638 17.553 20.597 0.852 [OK] 3602 171 M TRP CD2 2 C3H0b 0.770 1.610 2.633 10.186 10.068 1.012 [OK] 3603 171 M TRP NE1 13 N3H1b 0.700 1.640 2.845 17.144 16.723 1.025 [OK] 3604 171 M TRP CE2 2 C3H0b 0.770 1.610 2.675 10.190 9.848 1.035 [OK] 3605 171 M TRP CE3 6 C3H1b 0.770 1.760 3.081 22.795 20.383 1.118 possible 3606 171 M TRP CZ2 6 C3H1b 0.770 1.760 4.648 31.455 20.931 1.503 possible 3607 171 M TRP CZ3 6 C3H1b 0.770 1.760 3.092 25.163 21.429 1.174 possible 3608 171 M TRP CH2 6 C3H1b 0.770 1.760 4.219 27.591 21.219 1.300 possible 3609 172 M SER N 12 N3H1s 0.700 1.640 2.376 12.642 13.808 0.916 [OK] 3610 172 M SER CA 3 C4H1s 0.770 1.880 3.128 13.645 13.351 1.022 possible 3611 172 M SER C 1 C3H0s 0.770 1.610 3.031 8.784 8.858 0.992 possible 3612 172 M SER O 16 O1H0u 0.660 1.420 6.895 80.112 15.860 5.051 possible 3613 172 M SER CB 8 C4H2s 0.770 1.880 5.419 39.938 23.599 1.692 possible 3614 172 M SER OG 17 O2H1u 0.660 1.460 5.513 33.169 18.021 1.841 possible 3615 173 M GLU N 12 N3H1s 0.700 1.640 3.021 14.006 13.461 1.040 possible 3616 173 M GLU CA 3 C4H1s 0.770 1.880 4.018 18.567 13.284 1.398 possible 3617 173 M GLU C 1 C3H0s 0.770 1.610 3.004 10.461 8.631 1.212 possible 3618 173 M GLU O 16 O1H0u 0.660 1.420 3.235 27.287 15.765 1.731 possible 3619 173 M GLU CB 8 C4H2s 0.770 1.880 3.002 25.911 23.214 1.116 possible 3620 173 M GLU CG 8 C4H2s 0.770 1.880 3.105 20.603 23.304 0.884 possible 3621 173 M GLU CD 2 C3H0b 0.770 1.610 3.876 9.869 9.437 1.046 possible 3622 173 M GLU OE1 16 O1H0u 0.660 1.420 25.961 -1.000 15.497 -1.000 bad 3623 173 M GLU OE2 16 O1H0u 0.660 1.420 5.710 65.606 16.213 4.047 possible 3624 174 M ALA N 12 N3H1s 0.700 1.640 2.544 14.039 13.872 1.012 [OK] 3625 174 M ALA CA 4 C4H1b 0.770 1.880 3.002 15.209 13.959 1.090 possible 3626 174 M ALA C 1 C3H0s 0.770 1.610 2.704 10.569 8.858 1.193 [OK] 3627 174 M ALA O 16 O1H0u 0.660 1.420 3.694 22.343 16.026 1.394 possible 3628 174 M ALA CB 10 C4H3u 0.770 1.880 3.143 34.051 36.551 0.932 possible 3629 175 M VAL N 12 N3H1s 0.700 1.640 2.926 17.162 13.553 1.266 [OK] 3630 175 M VAL CA 3 C4H1s 0.770 1.880 2.654 11.587 13.078 0.886 [OK] 3631 175 M VAL C 1 C3H0s 0.770 1.610 2.564 8.583 8.528 1.006 [OK] 3632 175 M VAL O 16 O1H0u 0.660 1.420 2.702 21.104 15.998 1.319 [OK] 3633 175 M VAL CB 4 C4H1b 0.770 1.880 2.931 14.124 14.514 0.973 [OK] 3634 175 M VAL CG1 10 C4H3u 0.770 1.880 3.038 32.948 36.320 0.907 possible 3635 175 M VAL CG2 10 C4H3u 0.770 1.880 3.051 36.207 36.173 1.001 possible 3636 176 M PRO N 11 N3H0u 0.700 1.640 2.593 9.005 8.650 1.041 [OK] 3637 176 M PRO CA 4 C4H1b 0.770 1.880 2.608 13.726 13.828 0.993 [OK] 3638 176 M PRO C 1 C3H0s 0.770 1.610 2.666 9.018 8.768 1.029 [OK] 3639 176 M PRO O 16 O1H0u 0.660 1.420 2.510 17.661 15.856 1.114 [OK] 3640 176 M PRO CB 9 C4H2b 0.770 1.880 3.098 24.232 25.314 0.957 possible 3641 176 M PRO CG 9 C4H2b 0.770 1.880 4.069 31.145 25.480 1.222 possible 3642 176 M PRO CD 8 C4H2s 0.770 1.880 3.930 27.174 23.390 1.162 possible 3643 177 M TYR N 12 N3H1s 0.700 1.640 2.527 13.447 13.473 0.998 [OK] 3644 177 M TYR CA 3 C4H1s 0.770 1.880 2.759 12.977 13.249 0.979 [OK] 3645 177 M TYR C 1 C3H0s 0.770 1.610 2.735 9.649 8.714 1.107 [OK] 3646 177 M TYR O 16 O1H0u 0.660 1.420 2.520 17.066 15.901 1.073 [OK] 3647 177 M TYR CB 8 C4H2s 0.770 1.880 2.912 22.659 23.426 0.967 [OK] 3648 177 M TYR CG 2 C3H0b 0.770 1.610 2.608 8.551 9.695 0.882 [OK] 3649 177 M TYR CD1 5 C3H1s 0.770 1.760 2.938 20.242 20.057 1.009 [OK] 3650 177 M TYR CD2 5 C3H1s 0.770 1.760 2.712 17.942 20.578 0.872 [OK] 3651 177 M TYR CE1 5 C3H1s 0.770 1.760 2.853 20.225 20.534 0.985 [OK] 3652 177 M TYR CE2 5 C3H1s 0.770 1.760 2.680 18.293 20.577 0.889 [OK] 3653 177 M TYR CZ 2 C3H0b 0.770 1.610 2.827 10.867 9.888 1.099 [OK] 3654 177 M TYR OH 17 O2H1u 0.660 1.460 2.730 21.306 18.541 1.149 [OK] 3655 178 M GLY N 12 N3H1s 0.700 1.640 2.662 16.569 14.480 1.144 [OK] 3656 178 M GLY CA 8 C4H2s 0.770 1.880 2.979 25.610 23.470 1.091 [OK] 3657 178 M GLY C 2 C3H0b 0.770 1.610 2.823 10.680 9.652 1.107 [OK] 3658 178 M GLY O 16 O1H0u 0.660 1.420 2.372 15.134 16.154 0.937 [OK] 3659 179 M ILE N 12 N3H1s 0.700 1.640 2.854 14.797 13.493 1.097 [OK] 3660 179 M ILE CA 3 C4H1s 0.770 1.880 3.122 15.097 12.946 1.166 possible 3661 179 M ILE C 1 C3H0s 0.770 1.610 2.235 7.831 8.445 0.927 [OK] 3662 179 M ILE O 16 O1H0u 0.660 1.420 2.619 17.360 15.930 1.090 [OK] 3663 179 M ILE CB 4 C4H1b 0.770 1.880 2.465 12.173 14.146 0.861 [OK] 3664 179 M ILE CG1 9 C4H2b 0.770 1.880 3.663 32.566 24.071 1.353 possible 3665 179 M ILE CG2 10 C4H3u 0.770 1.880 4.181 45.512 35.763 1.273 possible 3666 179 M ILE CD1 10 C4H3u 0.770 1.880 4.260 46.887 38.219 1.227 possible 3667 180 M PHE N 12 N3H1s 0.700 1.640 2.668 13.360 13.524 0.988 [OK] 3668 180 M PHE CA 3 C4H1s 0.770 1.880 2.908 12.531 13.371 0.937 [OK] 3669 180 M PHE C 1 C3H0s 0.770 1.610 3.260 9.800 8.697 1.127 possible 3670 180 M PHE O 16 O1H0u 0.660 1.420 2.512 16.971 15.961 1.063 [OK] 3671 180 M PHE CB 8 C4H2s 0.770 1.880 4.484 32.406 23.623 1.372 possible 3672 180 M PHE CG 2 C3H0b 0.770 1.610 2.232 9.155 9.684 0.945 [OK] 3673 180 M PHE CD1 5 C3H1s 0.770 1.760 2.799 19.504 20.325 0.960 [OK] 3674 180 M PHE CD2 6 C3H1b 0.770 1.760 3.396 22.195 20.948 1.060 possible 3675 180 M PHE CE1 6 C3H1b 0.770 1.760 3.707 24.409 21.532 1.134 possible 3676 180 M PHE CE2 6 C3H1b 0.770 1.760 3.313 24.965 21.625 1.154 possible 3677 180 M PHE CZ 6 C3H1b 0.770 1.760 2.865 19.047 21.555 0.884 [OK] 3678 181 M SER N 12 N3H1s 0.700 1.640 4.082 21.436 13.808 1.552 possible 3679 181 M SER CA 3 C4H1s 0.770 1.880 4.203 18.327 13.351 1.373 possible 3680 181 M SER C 1 C3H0s 0.770 1.610 2.080 8.168 8.858 0.922 [OK] 3681 181 M SER O 16 O1H0u 0.660 1.420 4.189 21.449 15.860 1.352 possible 3682 181 M SER CB 8 C4H2s 0.770 1.880 5.258 44.523 23.599 1.887 possible 3683 181 M SER OG 17 O2H1u 0.660 1.460 2.634 18.543 18.021 1.029 [OK] 3684 182 M HIS N 12 N3H1s 0.700 1.640 2.565 14.265 13.532 1.054 [OK] 3685 182 M HIS CA 3 C4H1s 0.770 1.880 2.801 13.971 13.335 1.048 [OK] 3686 182 M HIS C 1 C3H0s 0.770 1.610 2.713 8.557 8.760 0.977 [OK] 3687 182 M HIS O 16 O1H0u 0.660 1.420 2.530 16.654 15.855 1.050 [OK] 3688 182 M HIS CB 8 C4H2s 0.770 1.880 2.842 23.407 23.443 0.998 [OK] 3689 182 M HIS CG 2 C3H0b 0.770 1.610 2.562 8.941 9.870 0.906 [OK] 3690 182 M HIS ND1 13 N3H1b 0.700 1.640 2.543 14.593 15.483 0.943 [OK] 3691 182 M HIS CD2 5 C3H1s 0.770 1.760 2.886 19.671 20.938 0.940 [OK] 3692 182 M HIS CE1 5 C3H1s 0.770 1.760 2.983 23.953 20.491 1.169 [OK] 3693 182 M HIS NE2 13 N3H1b 0.700 1.640 2.662 11.314 15.758 0.718 [OK] 3694 183 M LEU N 12 N3H1s 0.700 1.640 2.709 13.357 13.517 0.988 [OK] 3695 183 M LEU CA 3 C4H1s 0.770 1.880 2.952 13.616 13.055 1.043 [OK] 3696 183 M LEU C 1 C3H0s 0.770 1.610 2.536 8.721 8.781 0.993 [OK] 3697 183 M LEU O 16 O1H0u 0.660 1.420 2.324 13.820 15.957 0.866 [OK] 3698 183 M LEU CB 8 C4H2s 0.770 1.880 2.997 23.481 22.818 1.029 [OK] 3699 183 M LEU CG 4 C4H1b 0.770 1.880 2.756 14.543 14.704 0.989 [OK] 3700 183 M LEU CD1 10 C4H3u 0.770 1.880 3.093 39.677 37.235 1.066 possible 3701 183 M LEU CD2 10 C4H3u 0.770 1.880 2.995 31.679 37.020 0.856 [OK] 3702 184 M ASP N 12 N3H1s 0.700 1.640 2.583 13.299 13.654 0.974 [OK] 3703 184 M ASP CA 3 C4H1s 0.770 1.880 2.654 13.830 13.254 1.043 [OK] 3704 184 M ASP C 1 C3H0s 0.770 1.610 3.806 9.639 8.750 1.102 possible 3705 184 M ASP O 16 O1H0u 0.660 1.420 3.072 15.413 15.757 0.978 possible 3706 184 M ASP CB 8 C4H2s 0.770 1.880 7.355 58.288 23.022 2.532 possible 3707 184 M ASP CG 2 C3H0b 0.770 1.610 3.163 11.019 9.336 1.180 possible 3708 184 M ASP OD1 16 O1H0u 0.660 1.420 3.936 20.798 15.078 1.379 possible 3709 184 M ASP OD2 16 O1H0u 0.660 1.420 33.523 -1.000 15.582 -1.000 bad 3710 185 M TRP N 12 N3H1s 0.700 1.640 4.993 17.861 13.639 1.310 possible 3711 185 M TRP CA 3 C4H1s 0.770 1.880 5.685 26.296 13.323 1.974 possible 3712 185 M TRP C 1 C3H0s 0.770 1.610 2.071 7.390 8.687 0.851 [OK] 3713 185 M TRP O 16 O1H0u 0.660 1.420 2.665 14.413 15.797 0.912 [OK] 3714 185 M TRP CB 8 C4H2s 0.770 1.880 4.608 26.922 23.826 1.130 possible 3715 185 M TRP CG 2 C3H0b 0.770 1.610 2.491 9.657 9.915 0.974 [OK] 3716 185 M TRP CD1 5 C3H1s 0.770 1.760 5.571 53.904 20.597 2.617 possible 3717 185 M TRP CD2 2 C3H0b 0.770 1.610 2.534 9.854 10.068 0.979 [OK] 3718 185 M TRP NE1 13 N3H1b 0.700 1.640 4.513 31.651 16.723 1.893 possible 3719 185 M TRP CE2 2 C3H0b 0.770 1.610 2.746 10.611 9.848 1.078 [OK] 3720 185 M TRP CE3 6 C3H1b 0.770 1.760 2.865 18.363 20.383 0.901 [OK] 3721 185 M TRP CZ2 6 C3H1b 0.770 1.760 3.301 28.143 20.931 1.345 possible 3722 185 M TRP CZ3 6 C3H1b 0.770 1.760 2.986 22.081 21.429 1.030 [OK] 3723 185 M TRP CH2 6 C3H1b 0.770 1.760 3.191 21.996 21.219 1.037 possible 3724 186 M THR N 12 N3H1s 0.700 1.640 2.189 11.006 13.544 0.813 [OK] 3725 186 M THR CA 3 C4H1s 0.770 1.880 2.604 12.223 13.025 0.938 [OK] 3726 186 M THR C 1 C3H0s 0.770 1.610 2.269 7.575 8.685 0.872 [OK] 3727 186 M THR O 16 O1H0u 0.660 1.420 2.381 15.932 15.795 1.009 [OK] 3728 186 M THR CB 4 C4H1b 0.770 1.880 2.966 13.372 14.687 0.910 [OK] 3729 186 M THR OG1 17 O2H1u 0.660 1.460 2.583 18.580 17.610 1.055 [OK] 3730 186 M THR CG2 10 C4H3u 0.770 1.880 2.984 36.913 36.265 1.018 [OK] 3731 187 M ASN N 12 N3H1s 0.700 1.640 2.376 11.819 13.525 0.874 [OK] 3732 187 M ASN CA 3 C4H1s 0.770 1.880 2.525 11.884 13.052 0.911 [OK] 3733 187 M ASN C 1 C3H0s 0.770 1.610 2.305 7.757 8.853 0.876 [OK] 3734 187 M ASN O 16 O1H0u 0.660 1.420 2.352 15.425 15.857 0.973 [OK] 3735 187 M ASN CB 8 C4H2s 0.770 1.880 2.867 22.080 22.756 0.970 [OK] 3736 187 M ASN CG 2 C3H0b 0.770 1.610 2.667 9.181 9.537 0.963 [OK] 3737 187 M ASN OD1 16 O1H0u 0.660 1.420 2.730 17.197 16.247 1.058 [OK] 3738 187 M ASN ND2 15 N3H2u 0.700 1.640 6.825 50.546 22.525 2.244 possible 3739 188 M ASN N 12 N3H1s 0.700 1.640 2.462 11.847 13.525 0.876 [OK] 3740 188 M ASN CA 3 C4H1s 0.770 1.880 3.969 17.111 13.052 1.311 possible 3741 188 M ASN C 1 C3H0s 0.770 1.610 2.124 7.841 8.853 0.886 [OK] 3742 188 M ASN O 16 O1H0u 0.660 1.420 2.900 15.297 15.857 0.965 [OK] 3743 188 M ASN CB 8 C4H2s 0.770 1.880 5.169 42.603 22.756 1.872 possible 3744 188 M ASN CG 2 C3H0b 0.770 1.610 5.359 14.906 9.537 1.563 possible 3745 188 M ASN OD1 16 O1H0u 0.660 1.420 4.739 41.875 16.247 2.577 possible 3746 188 M ASN ND2 15 N3H2u 0.700 1.640 36.620 -1.000 22.525 -1.000 bad 3747 189 M PHE N 12 N3H1s 0.700 1.640 2.237 11.343 13.524 0.839 [OK] 3748 189 M PHE CA 3 C4H1s 0.770 1.880 4.176 19.281 13.371 1.442 possible 3749 189 M PHE C 1 C3H0s 0.770 1.610 2.248 7.748 8.697 0.891 [OK] 3750 189 M PHE O 16 O1H0u 0.660 1.420 2.547 15.382 15.961 0.964 [OK] 3751 189 M PHE CB 8 C4H2s 0.770 1.880 3.339 23.443 23.623 0.992 possible 3752 189 M PHE CG 2 C3H0b 0.770 1.610 2.836 9.844 9.684 1.017 [OK] 3753 189 M PHE CD1 5 C3H1s 0.770 1.760 3.023 18.454 20.325 0.908 possible 3754 189 M PHE CD2 6 C3H1b 0.770 1.760 3.998 30.434 20.948 1.453 possible 3755 189 M PHE CE1 6 C3H1b 0.770 1.760 3.091 21.355 21.532 0.992 possible 3756 189 M PHE CE2 6 C3H1b 0.770 1.760 3.190 22.052 21.625 1.020 possible 3757 189 M PHE CZ 6 C3H1b 0.770 1.760 3.085 19.747 21.555 0.916 possible 3758 190 M SER N 12 N3H1s 0.700 1.640 2.586 14.016 13.808 1.015 [OK] 3759 190 M SER CA 3 C4H1s 0.770 1.880 2.718 14.215 13.351 1.065 [OK] 3760 190 M SER C 1 C3H0s 0.770 1.610 2.340 7.638 8.858 0.862 [OK] 3761 190 M SER O 16 O1H0u 0.660 1.420 2.554 16.566 15.860 1.045 [OK] 3762 190 M SER CB 8 C4H2s 0.770 1.880 2.727 22.784 23.599 0.965 [OK] 3763 190 M SER OG 17 O2H1u 0.660 1.460 2.254 15.917 18.021 0.883 [OK] 3764 191 M LEU N 12 N3H1s 0.700 1.640 2.463 13.179 13.517 0.975 [OK] 3765 191 M LEU CA 3 C4H1s 0.770 1.880 3.011 11.620 13.055 0.890 possible 3766 191 M LEU C 1 C3H0s 0.770 1.610 3.767 9.558 8.781 1.089 possible 3767 191 M LEU O 16 O1H0u 0.660 1.420 17.872 -1.000 15.957 -1.000 bad 3768 191 M LEU CB 8 C4H2s 0.770 1.880 13.018 -1.000 22.818 -1.000 bad 3769 191 M LEU CG 4 C4H1b 0.770 1.880 15.475 -1.000 14.704 -1.000 bad 3770 191 M LEU CD1 10 C4H3u 0.770 1.880 36.175 -1.000 37.235 -1.000 bad 3771 191 M LEU CD2 10 C4H3u 0.770 1.880 9.188 -1.000 37.020 -1.000 bad 3772 192 M VAL N 12 N3H1s 0.700 1.640 2.752 12.517 13.553 0.924 [OK] 3773 192 M VAL CA 3 C4H1s 0.770 1.880 6.717 25.343 13.078 1.938 possible 3774 192 M VAL C 1 C3H0s 0.770 1.610 2.656 8.730 8.528 1.024 [OK] 3775 192 M VAL O 16 O1H0u 0.660 1.420 3.917 17.964 15.998 1.123 possible 3776 192 M VAL CB 4 C4H1b 0.770 1.880 3.950 15.686 14.514 1.081 possible 3777 192 M VAL CG1 10 C4H3u 0.770 1.880 29.232 -1.000 36.320 -1.000 bad 3778 192 M VAL CG2 10 C4H3u 0.770 1.880 32.098 -1.000 36.173 -1.000 bad 3779 193 M HIS N 12 N3H1s 0.700 1.640 2.352 12.597 13.532 0.931 [OK] 3780 193 M HIS CA 3 C4H1s 0.770 1.880 2.597 12.193 13.335 0.914 [OK] 3781 193 M HIS C 1 C3H0s 0.770 1.610 2.775 10.450 8.760 1.193 [OK] 3782 193 M HIS O 16 O1H0u 0.660 1.420 2.716 15.737 15.855 0.993 [OK] 3783 193 M HIS CB 8 C4H2s 0.770 1.880 3.181 27.847 23.443 1.188 possible 3784 193 M HIS CG 2 C3H0b 0.770 1.610 2.720 10.295 9.870 1.043 [OK] 3785 193 M HIS ND1 13 N3H1b 0.700 1.640 2.865 20.053 15.483 1.295 [OK] 3786 193 M HIS CD2 5 C3H1s 0.770 1.760 2.782 18.152 20.938 0.867 [OK] 3787 193 M HIS CE1 5 C3H1s 0.770 1.760 4.218 28.388 20.491 1.385 possible 3788 193 M HIS NE2 13 N3H1b 0.700 1.640 3.803 22.343 15.758 1.418 possible 3789 194 M GLY N 12 N3H1s 0.700 1.640 3.098 15.679 14.480 1.083 possible 3790 194 M GLY CA 8 C4H2s 0.770 1.880 7.330 50.657 23.470 2.158 possible 3791 194 M GLY C 2 C3H0b 0.770 1.610 5.955 14.305 9.652 1.482 possible 3792 194 M GLY O 16 O1H0u 0.660 1.420 6.140 25.618 16.154 1.586 possible 3793 195 M ASN N 12 N3H1s 0.700 1.640 3.624 17.573 13.525 1.299 possible 3794 195 M ASN CA 3 C4H1s 0.770 1.880 2.973 13.703 13.052 1.050 [OK] 3795 195 M ASN C 1 C3H0s 0.770 1.610 2.808 9.048 8.853 1.022 [OK] 3796 195 M ASN O 16 O1H0u 0.660 1.420 2.558 15.366 15.857 0.969 [OK] 3797 195 M ASN CB 8 C4H2s 0.770 1.880 7.450 49.605 22.756 2.180 possible 3798 195 M ASN CG 2 C3H0b 0.770 1.610 2.770 9.692 9.537 1.016 [OK] 3799 195 M ASN OD1 16 O1H0u 0.660 1.420 2.316 14.927 16.247 0.919 [OK] 3800 195 M ASN ND2 15 N3H2u 0.700 1.640 6.740 57.519 22.525 2.554 possible 3801 196 M LEU N 12 N3H1s 0.700 1.640 2.837 15.274 13.517 1.130 [OK] 3802 196 M LEU CA 3 C4H1s 0.770 1.880 2.754 13.255 13.055 1.015 [OK] 3803 196 M LEU C 1 C3H0s 0.770 1.610 2.439 8.491 8.781 0.967 [OK] 3804 196 M LEU O 16 O1H0u 0.660 1.420 2.473 14.366 15.957 0.900 [OK] 3805 196 M LEU CB 8 C4H2s 0.770 1.880 2.666 22.272 22.818 0.976 [OK] 3806 196 M LEU CG 4 C4H1b 0.770 1.880 3.298 17.803 14.704 1.211 possible 3807 196 M LEU CD1 10 C4H3u 0.770 1.880 3.240 39.074 37.235 1.049 possible 3808 196 M LEU CD2 10 C4H3u 0.770 1.880 2.976 33.256 37.020 0.898 [OK] 3809 197 M PHE N 12 N3H1s 0.700 1.640 2.466 12.466 13.524 0.922 [OK] 3810 197 M PHE CA 3 C4H1s 0.770 1.880 2.547 11.721 13.371 0.877 [OK] 3811 197 M PHE C 1 C3H0s 0.770 1.610 2.657 9.216 8.697 1.060 [OK] 3812 197 M PHE O 16 O1H0u 0.660 1.420 3.118 24.644 15.961 1.544 possible 3813 197 M PHE CB 8 C4H2s 0.770 1.880 3.738 27.406 23.623 1.160 possible 3814 197 M PHE CG 2 C3H0b 0.770 1.610 2.474 9.784 9.684 1.010 [OK] 3815 197 M PHE CD1 5 C3H1s 0.770 1.760 2.799 18.156 20.325 0.893 [OK] 3816 197 M PHE CD2 6 C3H1b 0.770 1.760 3.383 24.850 20.948 1.186 possible 3817 197 M PHE CE1 6 C3H1b 0.770 1.760 2.712 17.868 21.532 0.830 [OK] 3818 197 M PHE CE2 6 C3H1b 0.770 1.760 2.975 21.980 21.625 1.016 [OK] 3819 197 M PHE CZ 6 C3H1b 0.770 1.760 2.892 17.822 21.555 0.827 [OK] 3820 198 M TYR N 12 N3H1s 0.700 1.640 2.492 12.343 13.473 0.916 [OK] 3821 198 M TYR CA 3 C4H1s 0.770 1.880 3.558 16.008 13.249 1.208 possible 3822 198 M TYR C 1 C3H0s 0.770 1.610 3.172 11.320 8.714 1.299 possible 3823 198 M TYR O 16 O1H0u 0.660 1.420 3.637 27.206 15.901 1.711 possible 3824 198 M TYR CB 8 C4H2s 0.770 1.880 3.678 23.449 23.426 1.001 possible 3825 198 M TYR CG 2 C3H0b 0.770 1.610 2.844 10.145 9.695 1.046 [OK] 3826 198 M TYR CD1 5 C3H1s 0.770 1.760 5.002 39.525 20.057 1.971 possible 3827 198 M TYR CD2 5 C3H1s 0.770 1.760 2.783 18.626 20.578 0.905 [OK] 3828 198 M TYR CE1 5 C3H1s 0.770 1.760 5.763 58.718 20.534 2.860 possible 3829 198 M TYR CE2 5 C3H1s 0.770 1.760 6.642 32.312 20.577 1.570 possible 3830 198 M TYR CZ 2 C3H0b 0.770 1.610 3.283 11.847 9.888 1.198 possible 3831 198 M TYR OH 17 O2H1u 0.660 1.460 25.454 -1.000 18.541 -1.000 bad 3832 199 M ASN N 12 N3H1s 0.700 1.640 2.660 13.814 13.525 1.021 [OK] 3833 199 M ASN CA 3 C4H1s 0.770 1.880 2.370 11.721 13.052 0.898 [OK] 3834 199 M ASN C 1 C3H0s 0.770 1.610 2.952 8.104 8.853 0.915 [OK] 3835 199 M ASN O 16 O1H0u 0.660 1.420 3.156 18.935 15.857 1.194 possible 3836 199 M ASN CB 8 C4H2s 0.770 1.880 2.889 21.631 22.756 0.951 [OK] 3837 199 M ASN CG 2 C3H0b 0.770 1.610 2.669 10.105 9.537 1.060 [OK] 3838 199 M ASN OD1 16 O1H0u 0.660 1.420 2.691 18.013 16.247 1.109 [OK] 3839 199 M ASN ND2 15 N3H2u 0.700 1.640 2.820 20.302 22.525 0.901 [OK] 3840 200 M PRO N 11 N3H0u 0.700 1.640 3.184 9.083 8.650 1.050 possible 3841 200 M PRO CA 4 C4H1b 0.770 1.880 3.576 19.551 13.828 1.414 possible 3842 200 M PRO C 1 C3H0s 0.770 1.610 2.544 8.722 8.768 0.995 [OK] 3843 200 M PRO O 16 O1H0u 0.660 1.420 2.415 16.066 15.856 1.013 [OK] 3844 200 M PRO CB 9 C4H2b 0.770 1.880 5.114 50.320 25.314 1.988 possible 3845 200 M PRO CG 9 C4H2b 0.770 1.880 3.722 32.566 25.480 1.278 possible 3846 200 M PRO CD 8 C4H2s 0.770 1.880 3.355 26.100 23.390 1.116 possible 3847 201 M PHE N 12 N3H1s 0.700 1.640 2.591 12.638 13.524 0.934 [OK] 3848 201 M PHE CA 3 C4H1s 0.770 1.880 2.737 11.997 13.371 0.897 [OK] 3849 201 M PHE C 1 C3H0s 0.770 1.610 2.711 9.313 8.697 1.071 [OK] 3850 201 M PHE O 16 O1H0u 0.660 1.420 2.427 13.127 15.961 0.822 [OK] 3851 201 M PHE CB 8 C4H2s 0.770 1.880 2.947 18.979 23.623 0.803 [OK] 3852 201 M PHE CG 2 C3H0b 0.770 1.610 2.556 9.263 9.684 0.957 [OK] 3853 201 M PHE CD1 5 C3H1s 0.770 1.760 2.987 19.782 20.325 0.973 [OK] 3854 201 M PHE CD2 6 C3H1b 0.770 1.760 3.054 21.915 20.948 1.046 possible 3855 201 M PHE CE1 6 C3H1b 0.770 1.760 3.317 25.263 21.532 1.173 possible 3856 201 M PHE CE2 6 C3H1b 0.770 1.760 3.341 25.321 21.625 1.171 possible 3857 201 M PHE CZ 6 C3H1b 0.770 1.760 3.376 20.591 21.555 0.955 possible 3858 202 M HIS N 12 N3H1s 0.700 1.640 2.721 14.479 13.532 1.070 [OK] 3859 202 M HIS CA 3 C4H1s 0.770 1.880 2.887 13.757 13.335 1.032 [OK] 3860 202 M HIS C 1 C3H0s 0.770 1.610 2.116 7.705 8.760 0.880 [OK] 3861 202 M HIS O 16 O1H0u 0.660 1.420 2.589 15.550 15.855 0.981 [OK] 3862 202 M HIS CB 8 C4H2s 0.770 1.880 3.128 22.165 23.443 0.945 possible 3863 202 M HIS CG 2 C3H0b 0.770 1.610 2.427 9.493 9.870 0.962 [OK] 3864 202 M HIS ND1 13 N3H1b 0.700 1.640 2.490 15.154 15.483 0.979 [OK] 3865 202 M HIS CD2 5 C3H1s 0.770 1.760 2.932 22.075 20.938 1.054 [OK] 3866 202 M HIS CE1 5 C3H1s 0.770 1.760 2.599 17.777 20.491 0.868 [OK] 3867 202 M HIS NE2 13 N3H1b 0.700 1.640 2.621 11.934 15.758 0.757 [OK] 3868 203 M GLY N 12 N3H1s 0.700 1.640 2.649 13.481 14.480 0.931 [OK] 3869 203 M GLY CA 8 C4H2s 0.770 1.880 3.722 26.110 23.470 1.112 possible 3870 203 M GLY C 2 C3H0b 0.770 1.610 2.413 9.639 9.652 0.999 [OK] 3871 203 M GLY O 16 O1H0u 0.660 1.420 2.450 17.729 16.154 1.098 [OK] 3872 204 M LEU N 12 N3H1s 0.700 1.640 2.468 12.934 13.517 0.957 [OK] 3873 204 M LEU CA 3 C4H1s 0.770 1.880 2.706 12.822 13.055 0.982 [OK] 3874 204 M LEU C 1 C3H0s 0.770 1.610 2.444 8.971 8.781 1.022 [OK] 3875 204 M LEU O 16 O1H0u 0.660 1.420 2.602 15.047 15.957 0.943 [OK] 3876 204 M LEU CB 8 C4H2s 0.770 1.880 2.658 18.423 22.818 0.807 [OK] 3877 204 M LEU CG 4 C4H1b 0.770 1.880 2.913 16.174 14.704 1.100 [OK] 3878 204 M LEU CD1 10 C4H3u 0.770 1.880 3.117 38.359 37.235 1.030 possible 3879 204 M LEU CD2 10 C4H3u 0.770 1.880 3.091 36.910 37.020 0.997 possible 3880 205 M SER N 12 N3H1s 0.700 1.640 2.461 11.653 13.808 0.844 [OK] 3881 205 M SER CA 3 C4H1s 0.770 1.880 2.899 15.275 13.351 1.144 [OK] 3882 205 M SER C 1 C3H0s 0.770 1.610 2.111 7.968 8.858 0.900 [OK] 3883 205 M SER O 16 O1H0u 0.660 1.420 2.291 16.393 15.860 1.034 [OK] 3884 205 M SER CB 8 C4H2s 0.770 1.880 3.081 25.251 23.599 1.070 possible 3885 205 M SER OG 17 O2H1u 0.660 1.460 2.720 20.223 18.021 1.122 [OK] 3886 206 M ILE N 12 N3H1s 0.700 1.640 2.506 12.667 13.493 0.939 [OK] 3887 206 M ILE CA 3 C4H1s 0.770 1.880 3.047 13.438 12.946 1.038 possible 3888 206 M ILE C 1 C3H0s 0.770 1.610 2.466 7.760 8.445 0.919 [OK] 3889 206 M ILE O 16 O1H0u 0.660 1.420 2.632 14.320 15.930 0.899 [OK] 3890 206 M ILE CB 4 C4H1b 0.770 1.880 2.619 13.482 14.146 0.953 [OK] 3891 206 M ILE CG1 9 C4H2b 0.770 1.880 2.986 20.971 24.071 0.871 [OK] 3892 206 M ILE CG2 10 C4H3u 0.770 1.880 3.058 29.982 35.763 0.838 possible 3893 206 M ILE CD1 10 C4H3u 0.770 1.880 2.829 29.466 38.219 0.771 [OK] 3894 207 M ALA N 12 N3H1s 0.700 1.640 2.717 13.394 13.872 0.966 [OK] 3895 207 M ALA CA 4 C4H1b 0.770 1.880 2.936 14.547 13.959 1.042 [OK] 3896 207 M ALA C 1 C3H0s 0.770 1.610 2.893 9.736 8.858 1.099 [OK] 3897 207 M ALA O 16 O1H0u 0.660 1.420 2.886 18.013 16.026 1.124 [OK] 3898 207 M ALA CB 10 C4H3u 0.770 1.880 3.138 37.368 36.551 1.022 possible 3899 208 M PHE N 12 N3H1s 0.700 1.640 2.615 13.662 13.524 1.010 [OK] 3900 208 M PHE CA 3 C4H1s 0.770 1.880 3.025 13.606 13.371 1.018 possible 3901 208 M PHE C 1 C3H0s 0.770 1.610 2.166 8.034 8.697 0.924 [OK] 3902 208 M PHE O 16 O1H0u 0.660 1.420 2.205 14.464 15.961 0.906 [OK] 3903 208 M PHE CB 8 C4H2s 0.770 1.880 2.668 21.389 23.623 0.905 [OK] 3904 208 M PHE CG 2 C3H0b 0.770 1.610 2.598 9.573 9.684 0.989 [OK] 3905 208 M PHE CD1 5 C3H1s 0.770 1.760 3.247 23.828 20.325 1.172 possible 3906 208 M PHE CD2 6 C3H1b 0.770 1.760 2.668 19.168 20.948 0.915 [OK] 3907 208 M PHE CE1 6 C3H1b 0.770 1.760 2.948 21.567 21.532 1.002 [OK] 3908 208 M PHE CE2 6 C3H1b 0.770 1.760 2.752 21.680 21.625 1.003 [OK] 3909 208 M PHE CZ 6 C3H1b 0.770 1.760 2.971 24.145 21.555 1.120 [OK] 3910 209 M LEU N 12 N3H1s 0.700 1.640 2.302 11.999 13.517 0.888 [OK] 3911 209 M LEU CA 3 C4H1s 0.770 1.880 2.903 12.989 13.055 0.995 [OK] 3912 209 M LEU C 1 C3H0s 0.770 1.610 2.667 8.192 8.781 0.933 [OK] 3913 209 M LEU O 16 O1H0u 0.660 1.420 2.404 15.558 15.957 0.975 [OK] 3914 209 M LEU CB 8 C4H2s 0.770 1.880 3.068 21.628 22.818 0.948 possible 3915 209 M LEU CG 4 C4H1b 0.770 1.880 2.907 15.733 14.704 1.070 [OK] 3916 209 M LEU CD1 10 C4H3u 0.770 1.880 3.105 40.171 37.235 1.079 possible 3917 209 M LEU CD2 10 C4H3u 0.770 1.880 3.433 44.358 37.020 1.198 possible 3918 210 M TYR N 12 N3H1s 0.700 1.640 2.633 11.961 13.473 0.888 [OK] 3919 210 M TYR CA 3 C4H1s 0.770 1.880 3.226 15.727 13.249 1.187 possible 3920 210 M TYR C 1 C3H0s 0.770 1.610 2.446 8.311 8.714 0.954 [OK] 3921 210 M TYR O 16 O1H0u 0.660 1.420 2.630 15.898 15.901 1.000 [OK] 3922 210 M TYR CB 8 C4H2s 0.770 1.880 2.780 19.276 23.426 0.823 [OK] 3923 210 M TYR CG 2 C3H0b 0.770 1.610 2.754 9.559 9.695 0.986 [OK] 3924 210 M TYR CD1 5 C3H1s 0.770 1.760 3.374 24.414 20.057 1.217 possible 3925 210 M TYR CD2 5 C3H1s 0.770 1.760 2.920 21.071 20.578 1.024 [OK] 3926 210 M TYR CE1 5 C3H1s 0.770 1.760 3.308 23.189 20.534 1.129 possible 3927 210 M TYR CE2 5 C3H1s 0.770 1.760 2.956 21.279 20.577 1.034 [OK] 3928 210 M TYR CZ 2 C3H0b 0.770 1.610 2.805 9.638 9.888 0.975 [OK] 3929 210 M TYR OH 17 O2H1u 0.660 1.460 2.713 18.706 18.541 1.009 [OK] 3930 211 M GLY N 12 N3H1s 0.700 1.640 2.215 11.663 14.480 0.805 [OK] 3931 211 M GLY CA 8 C4H2s 0.770 1.880 3.081 26.501 23.470 1.129 possible 3932 211 M GLY C 2 C3H0b 0.770 1.610 2.228 8.916 9.652 0.924 [OK] 3933 211 M GLY O 16 O1H0u 0.660 1.420 2.761 15.267 16.154 0.945 [OK] 3934 212 M SER N 12 N3H1s 0.700 1.640 2.188 11.159 13.808 0.808 [OK] 3935 212 M SER CA 3 C4H1s 0.770 1.880 2.672 12.608 13.351 0.944 [OK] 3936 212 M SER C 1 C3H0s 0.770 1.610 2.207 8.034 8.858 0.907 [OK] 3937 212 M SER O 16 O1H0u 0.660 1.420 2.318 15.192 15.860 0.958 [OK] 3938 212 M SER CB 8 C4H2s 0.770 1.880 2.845 22.629 23.599 0.959 [OK] 3939 212 M SER OG 17 O2H1u 0.660 1.460 2.528 20.481 18.021 1.137 [OK] 3940 213 M ALA N 12 N3H1s 0.700 1.640 2.198 12.233 13.872 0.882 [OK] 3941 213 M ALA CA 4 C4H1b 0.770 1.880 2.792 14.483 13.959 1.038 [OK] 3942 213 M ALA C 1 C3H0s 0.770 1.610 2.486 8.055 8.858 0.909 [OK] 3943 213 M ALA O 16 O1H0u 0.660 1.420 2.562 15.331 16.026 0.957 [OK] 3944 213 M ALA CB 10 C4H3u 0.770 1.880 3.296 40.700 36.551 1.114 possible 3945 214 M LEU N 12 N3H1s 0.700 1.640 2.143 11.021 13.517 0.815 [OK] 3946 214 M LEU CA 3 C4H1s 0.770 1.880 2.566 12.296 13.055 0.942 [OK] 3947 214 M LEU C 1 C3H0s 0.770 1.610 2.631 8.334 8.781 0.949 [OK] 3948 214 M LEU O 16 O1H0u 0.660 1.420 2.302 15.003 15.957 0.940 [OK] 3949 214 M LEU CB 8 C4H2s 0.770 1.880 3.084 20.526 22.818 0.900 possible 3950 214 M LEU CG 4 C4H1b 0.770 1.880 3.078 16.907 14.704 1.150 possible 3951 214 M LEU CD1 10 C4H3u 0.770 1.880 3.238 43.441 37.235 1.167 possible 3952 214 M LEU CD2 10 C4H3u 0.770 1.880 3.060 30.712 37.020 0.830 possible 3953 215 M LEU N 12 N3H1s 0.700 1.640 2.760 12.463 13.517 0.922 [OK] 3954 215 M LEU CA 3 C4H1s 0.770 1.880 3.129 13.765 13.055 1.054 possible 3955 215 M LEU C 1 C3H0s 0.770 1.610 2.709 8.148 8.781 0.928 [OK] 3956 215 M LEU O 16 O1H0u 0.660 1.420 2.713 13.414 15.957 0.841 [OK] 3957 215 M LEU CB 8 C4H2s 0.770 1.880 3.205 23.928 22.818 1.049 possible 3958 215 M LEU CG 4 C4H1b 0.770 1.880 3.238 19.402 14.704 1.320 possible 3959 215 M LEU CD1 10 C4H3u 0.770 1.880 3.358 40.790 37.235 1.095 possible 3960 215 M LEU CD2 10 C4H3u 0.770 1.880 3.452 38.397 37.020 1.037 possible 3961 216 M PHE N 12 N3H1s 0.700 1.640 2.552 12.947 13.524 0.957 [OK] 3962 216 M PHE CA 3 C4H1s 0.770 1.880 2.885 12.169 13.371 0.910 [OK] 3963 216 M PHE C 1 C3H0s 0.770 1.610 2.586 8.833 8.697 1.016 [OK] 3964 216 M PHE O 16 O1H0u 0.660 1.420 2.463 16.596 15.961 1.040 [OK] 3965 216 M PHE CB 8 C4H2s 0.770 1.880 2.748 22.123 23.623 0.936 [OK] 3966 216 M PHE CG 2 C3H0b 0.770 1.610 2.441 9.381 9.684 0.969 [OK] 3967 216 M PHE CD1 5 C3H1s 0.770 1.760 2.887 19.609 20.325 0.965 [OK] 3968 216 M PHE CD2 6 C3H1b 0.770 1.760 3.023 19.560 20.948 0.934 possible 3969 216 M PHE CE1 6 C3H1b 0.770 1.760 3.070 26.395 21.532 1.226 possible 3970 216 M PHE CE2 6 C3H1b 0.770 1.760 3.089 21.066 21.625 0.974 possible 3971 216 M PHE CZ 6 C3H1b 0.770 1.760 3.060 22.098 21.555 1.025 possible 3972 217 M ALA N 12 N3H1s 0.700 1.640 2.507 12.454 13.872 0.898 [OK] 3973 217 M ALA CA 4 C4H1b 0.770 1.880 2.986 15.517 13.959 1.112 [OK] 3974 217 M ALA C 1 C3H0s 0.770 1.610 2.514 8.799 8.858 0.993 [OK] 3975 217 M ALA O 16 O1H0u 0.660 1.420 2.791 18.771 16.026 1.171 [OK] 3976 217 M ALA CB 10 C4H3u 0.770 1.880 3.050 36.792 36.551 1.007 possible 3977 218 M MET N 12 N3H1s 0.700 1.640 2.552 12.904 13.405 0.963 [OK] 3978 218 M MET CA 3 C4H1s 0.770 1.880 3.264 16.699 13.194 1.266 possible 3979 218 M MET C 1 C3H0s 0.770 1.610 2.358 8.209 8.756 0.937 [OK] 3980 218 M MET O 16 O1H0u 0.660 1.420 2.467 15.271 16.002 0.954 [OK] 3981 218 M MET CB 8 C4H2s 0.770 1.880 2.571 19.596 23.418 0.837 [OK] 3982 218 M MET CG 9 C4H2b 0.770 1.880 3.072 24.357 23.830 1.022 possible 3983 218 M MET SD 19 S2H0u 1.040 1.770 3.021 32.017 30.207 1.060 possible 3984 218 M MET CE 10 C4H3u 0.770 1.880 2.895 32.088 37.003 0.867 [OK] 3985 219 M HIS N 12 N3H1s 0.700 1.640 2.357 12.194 13.532 0.901 [OK] 3986 219 M HIS CA 3 C4H1s 0.770 1.880 2.452 12.276 13.335 0.921 [OK] 3987 219 M HIS C 1 C3H0s 0.770 1.610 2.473 8.648 8.760 0.987 [OK] 3988 219 M HIS O 16 O1H0u 0.660 1.420 2.618 15.198 15.855 0.959 [OK] 3989 219 M HIS CB 8 C4H2s 0.770 1.880 3.452 28.786 23.443 1.228 possible 3990 219 M HIS CG 2 C3H0b 0.770 1.610 3.182 11.608 9.870 1.176 possible 3991 219 M HIS ND1 13 N3H1b 0.700 1.640 2.747 16.404 15.483 1.059 [OK] 3992 219 M HIS CD2 5 C3H1s 0.770 1.760 3.212 29.569 20.938 1.412 possible 3993 219 M HIS CE1 5 C3H1s 0.770 1.760 2.804 18.541 20.491 0.905 [OK] 3994 219 M HIS NE2 13 N3H1b 0.700 1.640 2.949 11.218 15.758 0.712 [OK] 3995 220 M GLY N 12 N3H1s 0.700 1.640 2.727 15.187 14.480 1.049 [OK] 3996 220 M GLY CA 8 C4H2s 0.770 1.880 2.910 28.094 23.470 1.197 [OK] 3997 220 M GLY C 2 C3H0b 0.770 1.610 2.616 9.255 9.652 0.959 [OK] 3998 220 M GLY O 16 O1H0u 0.660 1.420 2.523 16.785 16.154 1.039 [OK] 3999 221 M ALA N 12 N3H1s 0.700 1.640 2.610 14.209 13.872 1.024 [OK] 4000 221 M ALA CA 4 C4H1b 0.770 1.880 2.902 15.117 13.959 1.083 [OK] 4001 221 M ALA C 1 C3H0s 0.770 1.610 2.154 8.179 8.858 0.923 [OK] 4002 221 M ALA O 16 O1H0u 0.660 1.420 2.335 14.621 16.026 0.912 [OK] 4003 221 M ALA CB 10 C4H3u 0.770 1.880 3.264 32.327 36.551 0.884 possible 4004 222 M THR N 12 N3H1s 0.700 1.640 2.251 11.893 13.544 0.878 [OK] 4005 222 M THR CA 3 C4H1s 0.770 1.880 2.921 12.212 13.025 0.938 [OK] 4006 222 M THR C 1 C3H0s 0.770 1.610 2.652 8.299 8.685 0.956 [OK] 4007 222 M THR O 16 O1H0u 0.660 1.420 2.796 14.072 15.795 0.891 [OK] 4008 222 M THR CB 4 C4H1b 0.770 1.880 3.091 13.666 14.687 0.930 possible 4009 222 M THR OG1 17 O2H1u 0.660 1.460 2.286 15.479 17.610 0.879 [OK] 4010 222 M THR CG2 10 C4H3u 0.770 1.880 3.367 45.016 36.265 1.241 possible 4011 223 M ILE N 12 N3H1s 0.700 1.640 2.906 14.489 13.493 1.074 [OK] 4012 223 M ILE CA 3 C4H1s 0.770 1.880 2.847 12.470 12.946 0.963 [OK] 4013 223 M ILE C 1 C3H0s 0.770 1.610 2.525 7.479 8.445 0.886 [OK] 4014 223 M ILE O 16 O1H0u 0.660 1.420 2.605 15.364 15.930 0.964 [OK] 4015 223 M ILE CB 4 C4H1b 0.770 1.880 2.765 14.242 14.146 1.007 [OK] 4016 223 M ILE CG1 9 C4H2b 0.770 1.880 3.114 20.885 24.071 0.868 possible 4017 223 M ILE CG2 10 C4H3u 0.770 1.880 3.111 35.859 35.763 1.003 possible 4018 223 M ILE CD1 10 C4H3u 0.770 1.880 3.358 42.138 38.219 1.103 possible 4019 224 M LEU N 12 N3H1s 0.700 1.640 2.523 13.266 13.517 0.981 [OK] 4020 224 M LEU CA 3 C4H1s 0.770 1.880 2.997 13.505 13.055 1.034 [OK] 4021 224 M LEU C 1 C3H0s 0.770 1.610 2.177 7.869 8.781 0.896 [OK] 4022 224 M LEU O 16 O1H0u 0.660 1.420 2.908 17.159 15.957 1.075 [OK] 4023 224 M LEU CB 8 C4H2s 0.770 1.880 3.005 23.076 22.818 1.011 possible 4024 224 M LEU CG 4 C4H1b 0.770 1.880 2.988 16.766 14.704 1.140 [OK] 4025 224 M LEU CD1 10 C4H3u 0.770 1.880 3.329 39.470 37.235 1.060 possible 4026 224 M LEU CD2 10 C4H3u 0.770 1.880 3.059 39.365 37.020 1.063 possible 4027 225 M ALA N 12 N3H1s 0.700 1.640 2.294 11.468 13.872 0.827 [OK] 4028 225 M ALA CA 4 C4H1b 0.770 1.880 2.806 13.273 13.959 0.951 [OK] 4029 225 M ALA C 1 C3H0s 0.770 1.610 2.382 8.575 8.858 0.968 [OK] 4030 225 M ALA O 16 O1H0u 0.660 1.420 2.321 15.166 16.026 0.946 [OK] 4031 225 M ALA CB 10 C4H3u 0.770 1.880 3.313 37.111 36.551 1.015 possible 4032 226 M VAL N 12 N3H1s 0.700 1.640 2.380 11.642 13.553 0.859 [OK] 4033 226 M VAL CA 3 C4H1s 0.770 1.880 2.562 12.134 13.078 0.928 [OK] 4034 226 M VAL C 1 C3H0s 0.770 1.610 2.429 8.772 8.528 1.029 [OK] 4035 226 M VAL O 16 O1H0u 0.660 1.420 2.136 13.933 15.998 0.871 [OK] 4036 226 M VAL CB 4 C4H1b 0.770 1.880 2.640 13.404 14.514 0.924 [OK] 4037 226 M VAL CG1 10 C4H3u 0.770 1.880 3.367 39.471 36.320 1.087 possible 4038 226 M VAL CG2 10 C4H3u 0.770 1.880 3.358 41.577 36.173 1.149 possible 4039 227 M SER N 12 N3H1s 0.700 1.640 2.404 12.186 13.808 0.883 [OK] 4040 227 M SER CA 3 C4H1s 0.770 1.880 2.855 13.328 13.351 0.998 [OK] 4041 227 M SER C 1 C3H0s 0.770 1.610 2.200 7.904 8.858 0.892 [OK] 4042 227 M SER O 16 O1H0u 0.660 1.420 2.901 17.534 15.860 1.106 [OK] 4043 227 M SER CB 8 C4H2s 0.770 1.880 3.059 28.487 23.599 1.207 possible 4044 227 M SER OG 17 O2H1u 0.660 1.460 2.931 21.805 18.021 1.210 [OK] 4045 228 M ARG N 12 N3H1s 0.700 1.640 2.604 13.416 13.486 0.995 [OK] 4046 228 M ARG CA 3 C4H1s 0.770 1.880 2.949 14.436 13.310 1.085 [OK] 4047 228 M ARG C 1 C3H0s 0.770 1.610 3.207 10.436 8.779 1.189 possible 4048 228 M ARG O 16 O1H0u 0.660 1.420 3.036 19.453 15.916 1.222 possible 4049 228 M ARG CB 8 C4H2s 0.770 1.880 3.263 23.787 22.833 1.042 possible 4050 228 M ARG CG 8 C4H2s 0.770 1.880 2.913 20.367 23.273 0.875 [OK] 4051 228 M ARG CD 8 C4H2s 0.770 1.880 2.977 24.361 22.849 1.066 [OK] 4052 228 M ARG NE 13 N3H1b 0.700 1.640 3.165 15.297 15.019 1.018 possible 4053 228 M ARG CZ 2 C3H0b 0.770 1.610 2.570 8.934 9.678 0.923 [OK] 4054 228 M ARG NH1 15 N3H2u 0.700 1.640 2.868 22.174 22.056 1.005 [OK] 4055 228 M ARG NH2 15 N3H2u 0.700 1.640 3.317 30.137 23.132 1.303 possible 4056 229 M PHE N 12 N3H1s 0.700 1.640 2.593 10.975 13.524 0.812 [OK] 4057 229 M PHE CA 3 C4H1s 0.770 1.880 3.415 15.310 13.371 1.145 possible 4058 229 M PHE C 1 C3H0s 0.770 1.610 3.426 12.471 8.697 1.434 possible 4059 229 M PHE O 16 O1H0u 0.660 1.420 2.974 20.343 15.961 1.275 [OK] 4060 229 M PHE CB 8 C4H2s 0.770 1.880 3.454 23.028 23.623 0.975 possible 4061 229 M PHE CG 2 C3H0b 0.770 1.610 2.639 9.707 9.684 1.002 [OK] 4062 229 M PHE CD1 5 C3H1s 0.770 1.760 2.763 17.965 20.325 0.884 [OK] 4063 229 M PHE CD2 6 C3H1b 0.770 1.760 2.842 21.186 20.948 1.011 [OK] 4064 229 M PHE CE1 6 C3H1b 0.770 1.760 2.685 19.066 21.532 0.885 [OK] 4065 229 M PHE CE2 6 C3H1b 0.770 1.760 2.795 20.756 21.625 0.960 [OK] 4066 229 M PHE CZ 6 C3H1b 0.770 1.760 2.778 20.623 21.555 0.957 [OK] 4067 230 M GLY N 12 N3H1s 0.700 1.640 3.374 15.310 14.480 1.057 possible 4068 230 M GLY CA 8 C4H2s 0.770 1.880 3.454 31.483 23.470 1.341 possible 4069 230 M GLY C 2 C3H0b 0.770 1.610 2.425 9.015 9.652 0.934 [OK] 4070 230 M GLY O 16 O1H0u 0.660 1.420 2.830 21.052 16.154 1.303 [OK] 4071 231 M GLY N 12 N3H1s 0.700 1.640 2.438 13.951 14.480 0.963 [OK] 4072 231 M GLY CA 8 C4H2s 0.770 1.880 3.239 29.394 23.470 1.252 possible 4073 231 M GLY C 2 C3H0b 0.770 1.610 2.393 8.862 9.652 0.918 [OK] 4074 231 M GLY O 16 O1H0u 0.660 1.420 2.606 19.496 16.154 1.207 [OK] 4075 232 M GLU N 12 N3H1s 0.700 1.640 2.688 13.305 13.461 0.988 [OK] 4076 232 M GLU CA 3 C4H1s 0.770 1.880 2.877 14.222 13.284 1.071 [OK] 4077 232 M GLU C 1 C3H0s 0.770 1.610 2.886 8.472 8.631 0.982 [OK] 4078 232 M GLU O 16 O1H0u 0.660 1.420 2.567 16.311 15.765 1.035 [OK] 4079 232 M GLU CB 8 C4H2s 0.770 1.880 3.111 25.448 23.214 1.096 possible 4080 232 M GLU CG 8 C4H2s 0.770 1.880 3.503 27.699 23.304 1.189 possible 4081 232 M GLU CD 2 C3H0b 0.770 1.610 2.737 10.239 9.437 1.085 [OK] 4082 232 M GLU OE1 16 O1H0u 0.660 1.420 2.685 17.822 15.497 1.150 [OK] 4083 232 M GLU OE2 16 O1H0u 0.660 1.420 2.717 21.223 16.213 1.309 [OK] 4084 233 M ARG N 12 N3H1s 0.700 1.640 2.897 12.477 13.486 0.925 [OK] 4085 233 M ARG CA 3 C4H1s 0.770 1.880 3.486 13.685 13.310 1.028 possible 4086 233 M ARG C 1 C3H0s 0.770 1.610 2.609 10.055 8.779 1.145 [OK] 4087 233 M ARG O 16 O1H0u 0.660 1.420 2.674 17.338 15.916 1.089 [OK] 4088 233 M ARG CB 8 C4H2s 0.770 1.880 3.341 28.599 22.833 1.253 possible 4089 233 M ARG CG 8 C4H2s 0.770 1.880 3.547 25.909 23.273 1.113 possible 4090 233 M ARG CD 8 C4H2s 0.770 1.880 3.348 24.506 22.849 1.073 possible 4091 233 M ARG NE 13 N3H1b 0.700 1.640 2.948 16.022 15.019 1.067 [OK] 4092 233 M ARG CZ 2 C3H0b 0.770 1.610 2.696 10.100 9.678 1.044 [OK] 4093 233 M ARG NH1 15 N3H2u 0.700 1.640 3.055 25.112 22.056 1.139 possible 4094 233 M ARG NH2 15 N3H2u 0.700 1.640 2.965 24.327 23.132 1.052 [OK] 4095 234 M GLU N 12 N3H1s 0.700 1.640 2.354 13.044 13.461 0.969 [OK] 4096 234 M GLU CA 3 C4H1s 0.770 1.880 2.975 15.242 13.284 1.147 [OK] 4097 234 M GLU C 1 C3H0s 0.770 1.610 2.628 9.122 8.631 1.057 [OK] 4098 234 M GLU O 16 O1H0u 0.660 1.420 2.437 14.696 15.765 0.932 [OK] 4099 234 M GLU CB 8 C4H2s 0.770 1.880 3.155 27.371 23.214 1.179 possible 4100 234 M GLU CG 8 C4H2s 0.770 1.880 2.832 22.015 23.304 0.945 [OK] 4101 234 M GLU CD 2 C3H0b 0.770 1.610 2.630 8.854 9.437 0.938 [OK] 4102 234 M GLU OE1 16 O1H0u 0.660 1.420 2.379 13.379 15.497 0.863 [OK] 4103 234 M GLU OE2 16 O1H0u 0.660 1.420 2.476 14.529 16.213 0.896 [OK] 4104 235 M LEU N 12 N3H1s 0.700 1.640 2.538 14.872 13.517 1.100 [OK] 4105 235 M LEU CA 3 C4H1s 0.770 1.880 2.787 11.542 13.055 0.884 [OK] 4106 235 M LEU C 1 C3H0s 0.770 1.610 2.693 9.404 8.781 1.071 [OK] 4107 235 M LEU O 16 O1H0u 0.660 1.420 2.615 16.648 15.957 1.043 [OK] 4108 235 M LEU CB 8 C4H2s 0.770 1.880 2.962 23.635 22.818 1.036 [OK] 4109 235 M LEU CG 4 C4H1b 0.770 1.880 3.109 19.237 14.704 1.308 possible 4110 235 M LEU CD1 10 C4H3u 0.770 1.880 2.972 35.198 37.235 0.945 [OK] 4111 235 M LEU CD2 10 C4H3u 0.770 1.880 2.879 32.658 37.020 0.882 [OK] 4112 236 M GLU N 12 N3H1s 0.700 1.640 2.584 12.814 13.461 0.952 [OK] 4113 236 M GLU CA 3 C4H1s 0.770 1.880 2.866 12.257 13.284 0.923 [OK] 4114 236 M GLU C 1 C3H0s 0.770 1.610 2.342 8.263 8.631 0.957 [OK] 4115 236 M GLU O 16 O1H0u 0.660 1.420 2.562 14.847 15.765 0.942 [OK] 4116 236 M GLU CB 8 C4H2s 0.770 1.880 2.705 20.489 23.214 0.883 [OK] 4117 236 M GLU CG 8 C4H2s 0.770 1.880 2.856 22.775 23.304 0.977 [OK] 4118 236 M GLU CD 2 C3H0b 0.770 1.610 2.606 9.782 9.437 1.037 [OK] 4119 236 M GLU OE1 16 O1H0u 0.660 1.420 2.689 17.428 15.497 1.125 [OK] 4120 236 M GLU OE2 16 O1H0u 0.660 1.420 2.658 20.332 16.213 1.254 [OK] 4121 237 M GLN N 12 N3H1s 0.700 1.640 2.441 13.649 13.449 1.015 [OK] 4122 237 M GLN CA 3 C4H1s 0.770 1.880 2.641 13.311 13.231 1.006 [OK] 4123 237 M GLN C 1 C3H0s 0.770 1.610 2.747 9.122 8.744 1.043 [OK] 4124 237 M GLN O 16 O1H0u 0.660 1.420 2.552 15.893 15.767 1.008 [OK] 4125 237 M GLN CB 8 C4H2s 0.770 1.880 3.013 23.391 23.059 1.014 possible 4126 237 M GLN CG 8 C4H2s 0.770 1.880 3.262 30.575 23.218 1.317 possible 4127 237 M GLN CD 2 C3H0b 0.770 1.610 2.752 10.330 9.618 1.074 [OK] 4128 237 M GLN OE1 16 O1H0u 0.660 1.420 2.515 14.746 16.571 0.890 [OK] 4129 237 M GLN NE2 15 N3H2u 0.700 1.640 3.112 26.136 23.255 1.124 possible 4130 238 M ILE N 12 N3H1s 0.700 1.640 2.540 12.526 13.493 0.928 [OK] 4131 238 M ILE CA 3 C4H1s 0.770 1.880 2.765 14.473 12.946 1.118 [OK] 4132 238 M ILE C 1 C3H0s 0.770 1.610 2.525 7.505 8.445 0.889 [OK] 4133 238 M ILE O 16 O1H0u 0.660 1.420 2.511 16.101 15.930 1.011 [OK] 4134 238 M ILE CB 4 C4H1b 0.770 1.880 2.853 13.339 14.146 0.943 [OK] 4135 238 M ILE CG1 9 C4H2b 0.770 1.880 2.803 21.333 24.071 0.886 [OK] 4136 238 M ILE CG2 10 C4H3u 0.770 1.880 3.060 36.100 35.763 1.009 possible 4137 238 M ILE CD1 10 C4H3u 0.770 1.880 3.187 38.994 38.219 1.020 possible 4138 239 M ALA N 12 N3H1s 0.700 1.640 2.441 11.848 13.872 0.854 [OK] 4139 239 M ALA CA 4 C4H1b 0.770 1.880 3.085 14.827 13.959 1.062 possible 4140 239 M ALA C 1 C3H0s 0.770 1.610 2.466 8.531 8.858 0.963 [OK] 4141 239 M ALA O 16 O1H0u 0.660 1.420 3.114 20.856 16.026 1.301 possible 4142 239 M ALA CB 10 C4H3u 0.770 1.880 3.467 47.023 36.551 1.287 possible 4143 240 M ASP N 12 N3H1s 0.700 1.640 2.302 11.604 13.654 0.850 [OK] 4144 240 M ASP CA 3 C4H1s 0.770 1.880 3.782 15.343 13.254 1.158 possible 4145 240 M ASP C 1 C3H0s 0.770 1.610 2.392 8.639 8.750 0.987 [OK] 4146 240 M ASP O 16 O1H0u 0.660 1.420 2.181 13.994 15.757 0.888 [OK] 4147 240 M ASP CB 8 C4H2s 0.770 1.880 2.969 25.281 23.022 1.098 [OK] 4148 240 M ASP CG 2 C3H0b 0.770 1.610 2.537 10.018 9.336 1.073 [OK] 4149 240 M ASP OD1 16 O1H0u 0.660 1.420 3.690 22.825 15.078 1.514 possible 4150 240 M ASP OD2 16 O1H0u 0.660 1.420 2.307 15.991 15.582 1.026 [OK] 4151 241 M ARG N 12 N3H1s 0.700 1.640 3.149 14.476 13.486 1.073 possible 4152 241 M ARG CA 3 C4H1s 0.770 1.880 2.838 14.008 13.310 1.052 [OK] 4153 241 M ARG C 1 C3H0s 0.770 1.610 2.473 7.865 8.779 0.896 [OK] 4154 241 M ARG O 16 O1H0u 0.660 1.420 2.570 15.264 15.916 0.959 [OK] 4155 241 M ARG CB 8 C4H2s 0.770 1.880 3.687 25.119 22.833 1.100 possible 4156 241 M ARG CG 8 C4H2s 0.770 1.880 3.036 24.784 23.273 1.065 possible 4157 241 M ARG CD 8 C4H2s 0.770 1.880 3.110 22.550 22.849 0.987 possible 4158 241 M ARG NE 13 N3H1b 0.700 1.640 2.933 16.234 15.019 1.081 [OK] 4159 241 M ARG CZ 2 C3H0b 0.770 1.610 3.671 11.504 9.678 1.189 possible 4160 241 M ARG NH1 15 N3H2u 0.700 1.640 4.548 39.435 22.056 1.788 possible 4161 241 M ARG NH2 15 N3H2u 0.700 1.640 4.262 26.721 23.132 1.155 possible 4162 242 M GLY N 12 N3H1s 0.700 1.640 2.369 13.071 14.480 0.903 [OK] 4163 242 M GLY CA 8 C4H2s 0.770 1.880 2.600 18.628 23.470 0.794 [OK] 4164 242 M GLY C 2 C3H0b 0.770 1.610 2.403 8.587 9.652 0.890 [OK] 4165 242 M GLY O 16 O1H0u 0.660 1.420 2.340 14.353 16.154 0.889 [OK] 4166 243 M THR N 12 N3H1s 0.700 1.640 2.233 11.707 13.544 0.864 [OK] 4167 243 M THR CA 3 C4H1s 0.770 1.880 2.631 12.763 13.025 0.980 [OK] 4168 243 M THR C 1 C3H0s 0.770 1.610 2.655 8.364 8.685 0.963 [OK] 4169 243 M THR O 16 O1H0u 0.660 1.420 2.284 12.204 15.795 0.773 [OK] 4170 243 M THR CB 4 C4H1b 0.770 1.880 2.998 15.453 14.687 1.052 [OK] 4171 243 M THR OG1 17 O2H1u 0.660 1.460 2.551 16.458 17.610 0.935 [OK] 4172 243 M THR CG2 10 C4H3u 0.770 1.880 3.139 37.901 36.265 1.045 possible 4173 244 M ALA N 12 N3H1s 0.700 1.640 2.605 12.566 13.872 0.906 [OK] 4174 244 M ALA CA 4 C4H1b 0.770 1.880 2.792 15.054 13.959 1.078 [OK] 4175 244 M ALA C 1 C3H0s 0.770 1.610 2.958 9.832 8.858 1.110 [OK] 4176 244 M ALA O 16 O1H0u 0.660 1.420 2.762 15.458 16.026 0.965 [OK] 4177 244 M ALA CB 10 C4H3u 0.770 1.880 3.211 35.253 36.551 0.964 possible 4178 245 M ALA N 12 N3H1s 0.700 1.640 2.583 13.449 13.872 0.969 [OK] 4179 245 M ALA CA 4 C4H1b 0.770 1.880 2.956 14.066 13.959 1.008 [OK] 4180 245 M ALA C 1 C3H0s 0.770 1.610 2.145 7.651 8.858 0.864 [OK] 4181 245 M ALA O 16 O1H0u 0.660 1.420 2.502 14.435 16.026 0.901 [OK] 4182 245 M ALA CB 10 C4H3u 0.770 1.880 3.161 32.299 36.551 0.884 possible 4183 246 M GLU N 12 N3H1s 0.700 1.640 2.415 12.550 13.461 0.932 [OK] 4184 246 M GLU CA 3 C4H1s 0.770 1.880 2.779 13.706 13.284 1.032 [OK] 4185 246 M GLU C 1 C3H0s 0.770 1.610 2.722 8.736 8.631 1.012 [OK] 4186 246 M GLU O 16 O1H0u 0.660 1.420 2.548 14.526 15.765 0.921 [OK] 4187 246 M GLU CB 8 C4H2s 0.770 1.880 2.752 21.120 23.214 0.910 [OK] 4188 246 M GLU CG 8 C4H2s 0.770 1.880 2.826 20.727 23.304 0.889 [OK] 4189 246 M GLU CD 2 C3H0b 0.770 1.610 2.408 8.583 9.437 0.910 [OK] 4190 246 M GLU OE1 16 O1H0u 0.660 1.420 2.448 14.390 15.497 0.929 [OK] 4191 246 M GLU OE2 16 O1H0u 0.660 1.420 2.412 14.632 16.213 0.902 [OK] 4192 247 M ARG N 12 N3H1s 0.700 1.640 2.816 12.951 13.486 0.960 [OK] 4193 247 M ARG CA 3 C4H1s 0.770 1.880 3.081 15.361 13.310 1.154 possible 4194 247 M ARG C 1 C3H0s 0.770 1.610 2.862 8.895 8.779 1.013 [OK] 4195 247 M ARG O 16 O1H0u 0.660 1.420 2.728 16.162 15.916 1.015 [OK] 4196 247 M ARG CB 8 C4H2s 0.770 1.880 2.905 23.727 22.833 1.039 [OK] 4197 247 M ARG CG 8 C4H2s 0.770 1.880 2.897 21.824 23.273 0.938 [OK] 4198 247 M ARG CD 8 C4H2s 0.770 1.880 3.092 22.267 22.849 0.975 possible 4199 247 M ARG NE 13 N3H1b 0.700 1.640 2.937 16.116 15.019 1.073 [OK] 4200 247 M ARG CZ 2 C3H0b 0.770 1.610 2.948 10.141 9.678 1.048 [OK] 4201 247 M ARG NH1 15 N3H2u 0.700 1.640 2.656 23.949 22.056 1.086 [OK] 4202 247 M ARG NH2 15 N3H2u 0.700 1.640 2.786 23.471 23.132 1.015 [OK] 4203 248 M ALA N 12 N3H1s 0.700 1.640 2.674 13.395 13.872 0.966 [OK] 4204 248 M ALA CA 4 C4H1b 0.770 1.880 3.367 17.658 13.959 1.265 possible 4205 248 M ALA C 1 C3H0s 0.770 1.610 2.339 8.139 8.858 0.919 [OK] 4206 248 M ALA O 16 O1H0u 0.660 1.420 2.674 17.985 16.026 1.122 [OK] 4207 248 M ALA CB 10 C4H3u 0.770 1.880 3.358 39.412 36.551 1.078 possible 4208 249 M ALA N 12 N3H1s 0.700 1.640 2.200 11.990 13.872 0.864 [OK] 4209 249 M ALA CA 4 C4H1b 0.770 1.880 2.753 14.050 13.959 1.007 [OK] 4210 249 M ALA C 1 C3H0s 0.770 1.610 2.625 8.692 8.858 0.981 [OK] 4211 249 M ALA O 16 O1H0u 0.660 1.420 2.431 15.471 16.026 0.965 [OK] 4212 249 M ALA CB 10 C4H3u 0.770 1.880 3.007 37.607 36.551 1.029 possible 4213 250 M LEU N 12 N3H1s 0.700 1.640 2.775 12.701 13.517 0.940 [OK] 4214 250 M LEU CA 3 C4H1s 0.770 1.880 2.742 11.464 13.055 0.878 [OK] 4215 250 M LEU C 1 C3H0s 0.770 1.610 2.521 8.024 8.781 0.914 [OK] 4216 250 M LEU O 16 O1H0u 0.660 1.420 2.408 15.805 15.957 0.990 [OK] 4217 250 M LEU CB 8 C4H2s 0.770 1.880 2.862 22.032 22.818 0.966 [OK] 4218 250 M LEU CG 4 C4H1b 0.770 1.880 2.845 16.345 14.704 1.112 [OK] 4219 250 M LEU CD1 10 C4H3u 0.770 1.880 3.049 34.499 37.235 0.927 possible 4220 250 M LEU CD2 10 C4H3u 0.770 1.880 3.066 35.696 37.020 0.964 possible 4221 251 M PHE N 12 N3H1s 0.700 1.640 2.343 11.976 13.524 0.886 [OK] 4222 251 M PHE CA 3 C4H1s 0.770 1.880 2.771 13.054 13.371 0.976 [OK] 4223 251 M PHE C 1 C3H0s 0.770 1.610 2.040 7.328 8.697 0.843 [OK] 4224 251 M PHE O 16 O1H0u 0.660 1.420 2.264 15.790 15.961 0.989 [OK] 4225 251 M PHE CB 8 C4H2s 0.770 1.880 3.365 25.244 23.623 1.069 possible 4226 251 M PHE CG 2 C3H0b 0.770 1.610 3.059 10.715 9.684 1.106 possible 4227 251 M PHE CD1 5 C3H1s 0.770 1.760 2.985 17.873 20.325 0.879 [OK] 4228 251 M PHE CD2 6 C3H1b 0.770 1.760 2.868 20.102 20.948 0.960 [OK] 4229 251 M PHE CE1 6 C3H1b 0.770 1.760 2.725 18.489 21.532 0.859 [OK] 4230 251 M PHE CE2 6 C3H1b 0.770 1.760 2.797 23.229 21.625 1.074 [OK] 4231 251 M PHE CZ 6 C3H1b 0.770 1.760 2.684 20.705 21.555 0.961 [OK] 4232 252 M TRP N 12 N3H1s 0.700 1.640 2.352 12.637 13.639 0.927 [OK] 4233 252 M TRP CA 3 C4H1s 0.770 1.880 2.628 12.411 13.323 0.932 [OK] 4234 252 M TRP C 1 C3H0s 0.770 1.610 2.311 8.662 8.687 0.997 [OK] 4235 252 M TRP O 16 O1H0u 0.660 1.420 2.439 16.124 15.797 1.021 [OK] 4236 252 M TRP CB 8 C4H2s 0.770 1.880 3.035 26.221 23.826 1.101 possible 4237 252 M TRP CG 2 C3H0b 0.770 1.610 2.518 8.649 9.915 0.872 [OK] 4238 252 M TRP CD1 5 C3H1s 0.770 1.760 2.944 18.390 20.597 0.893 [OK] 4239 252 M TRP CD2 2 C3H0b 0.770 1.610 2.524 9.114 10.068 0.905 [OK] 4240 252 M TRP NE1 13 N3H1b 0.700 1.640 2.761 15.627 16.723 0.934 [OK] 4241 252 M TRP CE2 2 C3H0b 0.770 1.610 2.171 9.225 9.848 0.937 [OK] 4242 252 M TRP CE3 6 C3H1b 0.770 1.760 2.845 21.910 20.383 1.075 [OK] 4243 252 M TRP CZ2 6 C3H1b 0.770 1.760 2.914 19.906 20.931 0.951 [OK] 4244 252 M TRP CZ3 6 C3H1b 0.770 1.760 2.924 21.108 21.429 0.985 [OK] 4245 252 M TRP CH2 6 C3H1b 0.770 1.760 2.910 18.681 21.219 0.880 [OK] 4246 253 M ARG N 12 N3H1s 0.700 1.640 2.267 12.748 13.486 0.945 [OK] 4247 253 M ARG CA 3 C4H1s 0.770 1.880 2.693 13.459 13.310 1.011 [OK] 4248 253 M ARG C 1 C3H0s 0.770 1.610 2.328 7.616 8.779 0.868 [OK] 4249 253 M ARG O 16 O1H0u 0.660 1.420 2.401 16.513 15.916 1.038 [OK] 4250 253 M ARG CB 8 C4H2s 0.770 1.880 2.909 23.175 22.833 1.015 [OK] 4251 253 M ARG CG 8 C4H2s 0.770 1.880 2.879 21.898 23.273 0.941 [OK] 4252 253 M ARG CD 8 C4H2s 0.770 1.880 2.730 19.644 22.849 0.860 [OK] 4253 253 M ARG NE 13 N3H1b 0.700 1.640 2.622 14.038 15.019 0.935 [OK] 4254 253 M ARG CZ 2 C3H0b 0.770 1.610 2.597 10.260 9.678 1.060 [OK] 4255 253 M ARG NH1 15 N3H2u 0.700 1.640 2.989 29.253 22.056 1.326 [OK] 4256 253 M ARG NH2 15 N3H2u 0.700 1.640 2.663 24.557 23.132 1.062 [OK] 4257 254 M TRP N 12 N3H1s 0.700 1.640 2.331 12.305 13.639 0.902 [OK] 4258 254 M TRP CA 3 C4H1s 0.770 1.880 2.529 12.198 13.323 0.916 [OK] 4259 254 M TRP C 1 C3H0s 0.770 1.610 2.480 8.884 8.687 1.023 [OK] 4260 254 M TRP O 16 O1H0u 0.660 1.420 2.413 15.848 15.797 1.003 [OK] 4261 254 M TRP CB 8 C4H2s 0.770 1.880 2.738 23.694 23.826 0.994 [OK] 4262 254 M TRP CG 2 C3H0b 0.770 1.610 2.459 9.714 9.915 0.980 [OK] 4263 254 M TRP CD1 5 C3H1s 0.770 1.760 2.850 19.346 20.597 0.939 [OK] 4264 254 M TRP CD2 2 C3H0b 0.770 1.610 2.566 10.435 10.068 1.036 [OK] 4265 254 M TRP NE1 13 N3H1b 0.700 1.640 2.412 16.312 16.723 0.975 [OK] 4266 254 M TRP CE2 2 C3H0b 0.770 1.610 2.557 9.967 9.848 1.012 [OK] 4267 254 M TRP CE3 6 C3H1b 0.770 1.760 3.285 24.899 20.383 1.222 possible 4268 254 M TRP CZ2 6 C3H1b 0.770 1.760 2.738 20.842 20.931 0.996 [OK] 4269 254 M TRP CZ3 6 C3H1b 0.770 1.760 2.987 21.699 21.429 1.013 [OK] 4270 254 M TRP CH2 6 C3H1b 0.770 1.760 2.837 21.574 21.219 1.017 [OK] 4271 255 M THR N 12 N3H1s 0.700 1.640 2.482 13.137 13.544 0.970 [OK] 4272 255 M THR CA 3 C4H1s 0.770 1.880 2.622 11.949 13.025 0.917 [OK] 4273 255 M THR C 1 C3H0s 0.770 1.610 2.596 8.479 8.685 0.976 [OK] 4274 255 M THR O 16 O1H0u 0.660 1.420 2.567 15.923 15.795 1.008 [OK] 4275 255 M THR CB 4 C4H1b 0.770 1.880 2.821 14.931 14.687 1.017 [OK] 4276 255 M THR OG1 17 O2H1u 0.660 1.460 2.687 19.666 17.610 1.117 [OK] 4277 255 M THR CG2 10 C4H3u 0.770 1.880 3.102 35.936 36.265 0.991 possible 4278 256 M MET N 12 N3H1s 0.700 1.640 2.592 13.039 13.405 0.973 [OK] 4279 256 M MET CA 3 C4H1s 0.770 1.880 2.719 12.960 13.194 0.982 [OK] 4280 256 M MET C 1 C3H0s 0.770 1.610 2.196 7.826 8.756 0.894 [OK] 4281 256 M MET O 16 O1H0u 0.660 1.420 2.458 17.586 16.002 1.099 [OK] 4282 256 M MET CB 8 C4H2s 0.770 1.880 3.044 24.848 23.418 1.061 possible 4283 256 M MET CG 9 C4H2b 0.770 1.880 2.869 23.880 23.830 1.002 [OK] 4284 256 M MET SD 19 S2H0u 1.040 1.770 2.945 29.170 30.207 0.966 [OK] 4285 256 M MET CE 10 C4H3u 0.770 1.880 3.035 34.560 37.003 0.934 possible 4286 257 M GLY N 12 N3H1s 0.700 1.640 2.563 14.084 14.480 0.973 [OK] 4287 257 M GLY CA 8 C4H2s 0.770 1.880 2.818 21.390 23.470 0.911 [OK] 4288 257 M GLY C 2 C3H0b 0.770 1.610 2.515 10.646 9.652 1.103 [OK] 4289 257 M GLY O 16 O1H0u 0.660 1.420 2.621 19.843 16.154 1.228 [OK] 4290 258 M PHE N 12 N3H1s 0.700 1.640 2.463 13.139 13.524 0.972 [OK] 4291 258 M PHE CA 3 C4H1s 0.770 1.880 2.784 14.778 13.371 1.105 [OK] 4292 258 M PHE C 1 C3H0s 0.770 1.610 2.534 9.658 8.697 1.110 [OK] 4293 258 M PHE O 16 O1H0u 0.660 1.420 2.569 17.323 15.961 1.085 [OK] 4294 258 M PHE CB 8 C4H2s 0.770 1.880 2.782 21.970 23.623 0.930 [OK] 4295 258 M PHE CG 2 C3H0b 0.770 1.610 2.549 9.445 9.684 0.975 [OK] 4296 258 M PHE CD1 5 C3H1s 0.770 1.760 2.604 19.168 20.325 0.943 [OK] 4297 258 M PHE CD2 6 C3H1b 0.770 1.760 2.861 21.486 20.948 1.026 [OK] 4298 258 M PHE CE1 6 C3H1b 0.770 1.760 2.829 20.948 21.532 0.973 [OK] 4299 258 M PHE CE2 6 C3H1b 0.770 1.760 2.895 22.864 21.625 1.057 [OK] 4300 258 M PHE CZ 6 C3H1b 0.770 1.760 2.770 20.183 21.555 0.936 [OK] 4301 259 M ASN N 12 N3H1s 0.700 1.640 2.570 13.824 13.525 1.022 [OK] 4302 259 M ASN CA 3 C4H1s 0.770 1.880 3.003 13.479 13.052 1.033 possible 4303 259 M ASN C 1 C3H0s 0.770 1.610 2.319 8.161 8.853 0.922 [OK] 4304 259 M ASN O 16 O1H0u 0.660 1.420 2.598 18.574 15.857 1.171 [OK] 4305 259 M ASN CB 8 C4H2s 0.770 1.880 2.713 21.678 22.756 0.953 [OK] 4306 259 M ASN CG 2 C3H0b 0.770 1.610 2.649 9.428 9.537 0.989 [OK] 4307 259 M ASN OD1 16 O1H0u 0.660 1.420 2.561 19.055 16.247 1.173 [OK] 4308 259 M ASN ND2 15 N3H2u 0.700 1.640 2.858 25.781 22.525 1.145 [OK] 4309 260 M ALA N 12 N3H1s 0.700 1.640 2.454 12.099 13.872 0.872 [OK] 4310 260 M ALA CA 4 C4H1b 0.770 1.880 2.699 12.926 13.959 0.926 [OK] 4311 260 M ALA C 1 C3H0s 0.770 1.610 2.694 10.190 8.858 1.150 [OK] 4312 260 M ALA O 16 O1H0u 0.660 1.420 2.393 14.904 16.026 0.930 [OK] 4313 260 M ALA CB 10 C4H3u 0.770 1.880 2.752 31.340 36.551 0.857 [OK] 4314 261 M THR N 12 N3H1s 0.700 1.640 2.503 13.347 13.544 0.985 [OK] 4315 261 M THR CA 3 C4H1s 0.770 1.880 2.833 13.235 13.025 1.016 [OK] 4316 261 M THR C 1 C3H0s 0.770 1.610 2.385 8.897 8.685 1.024 [OK] 4317 261 M THR O 16 O1H0u 0.660 1.420 2.288 14.441 15.795 0.914 [OK] 4318 261 M THR CB 4 C4H1b 0.770 1.880 3.017 13.104 14.687 0.892 possible 4319 261 M THR OG1 17 O2H1u 0.660 1.460 2.501 16.685 17.610 0.947 [OK] 4320 261 M THR CG2 10 C4H3u 0.770 1.880 3.140 34.055 36.265 0.939 possible 4321 262 M MET N 12 N3H1s 0.700 1.640 2.850 15.004 13.405 1.119 [OK] 4322 262 M MET CA 3 C4H1s 0.770 1.880 2.888 13.315 13.194 1.009 [OK] 4323 262 M MET C 1 C3H0s 0.770 1.610 2.455 8.521 8.756 0.973 [OK] 4324 262 M MET O 16 O1H0u 0.660 1.420 2.675 16.103 16.002 1.006 [OK] 4325 262 M MET CB 8 C4H2s 0.770 1.880 3.139 25.975 23.418 1.109 possible 4326 262 M MET CG 9 C4H2b 0.770 1.880 3.160 26.423 23.830 1.109 possible 4327 262 M MET SD 19 S2H0u 1.040 1.770 3.274 33.605 30.207 1.112 possible 4328 262 M MET CE 10 C4H3u 0.770 1.880 3.348 40.865 37.003 1.104 possible 4329 263 M GLU N 12 N3H1s 0.700 1.640 2.464 13.996 13.461 1.040 [OK] 4330 263 M GLU CA 3 C4H1s 0.770 1.880 3.251 14.095 13.284 1.061 possible 4331 263 M GLU C 1 C3H0s 0.770 1.610 2.520 8.580 8.631 0.994 [OK] 4332 263 M GLU O 16 O1H0u 0.660 1.420 2.780 17.046 15.765 1.081 [OK] 4333 263 M GLU CB 8 C4H2s 0.770 1.880 2.652 21.681 23.214 0.934 [OK] 4334 263 M GLU CG 8 C4H2s 0.770 1.880 3.246 26.235 23.304 1.126 possible 4335 263 M GLU CD 2 C3H0b 0.770 1.610 2.679 10.158 9.437 1.076 [OK] 4336 263 M GLU OE1 16 O1H0u 0.660 1.420 2.357 15.024 15.497 0.969 [OK] 4337 263 M GLU OE2 16 O1H0u 0.660 1.420 2.360 14.040 16.213 0.866 [OK] 4338 264 M GLY N 12 N3H1s 0.700 1.640 2.525 14.706 14.480 1.016 [OK] 4339 264 M GLY CA 8 C4H2s 0.770 1.880 3.177 26.317 23.470 1.121 possible 4340 264 M GLY C 2 C3H0b 0.770 1.610 2.365 8.842 9.652 0.916 [OK] 4341 264 M GLY O 16 O1H0u 0.660 1.420 2.616 15.119 16.154 0.936 [OK] 4342 265 M ILE N 12 N3H1s 0.700 1.640 2.390 12.553 13.493 0.930 [OK] 4343 265 M ILE CA 3 C4H1s 0.770 1.880 2.543 11.639 12.946 0.899 [OK] 4344 265 M ILE C 1 C3H0s 0.770 1.610 3.023 8.741 8.445 1.035 possible 4345 265 M ILE O 16 O1H0u 0.660 1.420 2.964 16.031 15.930 1.006 [OK] 4346 265 M ILE CB 4 C4H1b 0.770 1.880 2.750 13.247 14.146 0.936 [OK] 4347 265 M ILE CG1 9 C4H2b 0.770 1.880 3.440 24.445 24.071 1.016 possible 4348 265 M ILE CG2 10 C4H3u 0.770 1.880 3.146 29.327 35.763 0.820 possible 4349 265 M ILE CD1 10 C4H3u 0.770 1.880 3.452 32.996 38.219 0.863 possible 4350 266 M HIS N 12 N3H1s 0.700 1.640 2.677 12.107 13.532 0.895 [OK] 4351 266 M HIS CA 3 C4H1s 0.770 1.880 3.294 14.039 13.335 1.053 possible 4352 266 M HIS C 1 C3H0s 0.770 1.610 2.378 8.705 8.760 0.994 [OK] 4353 266 M HIS O 16 O1H0u 0.660 1.420 2.397 15.994 15.855 1.009 [OK] 4354 266 M HIS CB 8 C4H2s 0.770 1.880 3.251 26.856 23.443 1.146 possible 4355 266 M HIS CG 2 C3H0b 0.770 1.610 2.596 10.071 9.870 1.020 [OK] 4356 266 M HIS ND1 13 N3H1b 0.700 1.640 2.931 17.203 15.483 1.111 [OK] 4357 266 M HIS CD2 5 C3H1s 0.770 1.760 3.136 22.738 20.938 1.086 possible 4358 266 M HIS CE1 5 C3H1s 0.770 1.760 2.971 20.616 20.491 1.006 [OK] 4359 266 M HIS NE2 13 N3H1b 0.700 1.640 2.509 9.718 15.758 0.617 [OK] 4360 267 M ARG N 12 N3H1s 0.700 1.640 2.419 12.192 13.486 0.904 [OK] 4361 267 M ARG CA 3 C4H1s 0.770 1.880 2.980 13.257 13.310 0.996 [OK] 4362 267 M ARG C 1 C3H0s 0.770 1.610 2.115 8.439 8.779 0.961 [OK] 4363 267 M ARG O 16 O1H0u 0.660 1.420 2.534 15.374 15.916 0.966 [OK] 4364 267 M ARG CB 8 C4H2s 0.770 1.880 3.285 28.042 22.833 1.228 possible 4365 267 M ARG CG 8 C4H2s 0.770 1.880 3.081 23.461 23.273 1.008 possible 4366 267 M ARG CD 8 C4H2s 0.770 1.880 3.239 25.154 22.849 1.101 possible 4367 267 M ARG NE 13 N3H1b 0.700 1.640 2.610 15.817 15.019 1.053 [OK] 4368 267 M ARG CZ 2 C3H0b 0.770 1.610 2.502 9.628 9.678 0.995 [OK] 4369 267 M ARG NH1 15 N3H2u 0.700 1.640 2.490 20.286 22.056 0.920 [OK] 4370 267 M ARG NH2 15 N3H2u 0.700 1.640 2.486 21.059 23.132 0.910 [OK] 4371 268 M TRP N 12 N3H1s 0.700 1.640 2.678 12.795 13.639 0.938 [OK] 4372 268 M TRP CA 3 C4H1s 0.770 1.880 3.031 13.961 13.323 1.048 possible 4373 268 M TRP C 1 C3H0s 0.770 1.610 2.849 8.613 8.687 0.991 [OK] 4374 268 M TRP O 16 O1H0u 0.660 1.420 2.768 17.111 15.797 1.083 [OK] 4375 268 M TRP CB 8 C4H2s 0.770 1.880 3.076 22.361 23.826 0.939 possible 4376 268 M TRP CG 2 C3H0b 0.770 1.610 2.573 9.028 9.915 0.911 [OK] 4377 268 M TRP CD1 5 C3H1s 0.770 1.760 2.851 20.840 20.597 1.012 [OK] 4378 268 M TRP CD2 2 C3H0b 0.770 1.610 2.585 9.144 10.068 0.908 [OK] 4379 268 M TRP NE1 13 N3H1b 0.700 1.640 2.604 16.485 16.723 0.986 [OK] 4380 268 M TRP CE2 2 C3H0b 0.770 1.610 2.566 9.391 9.848 0.954 [OK] 4381 268 M TRP CE3 6 C3H1b 0.770 1.760 3.246 24.334 20.383 1.194 possible 4382 268 M TRP CZ2 6 C3H1b 0.770 1.760 3.170 26.007 20.931 1.243 possible 4383 268 M TRP CZ3 6 C3H1b 0.770 1.760 2.913 21.393 21.429 0.998 [OK] 4384 268 M TRP CH2 6 C3H1b 0.770 1.760 3.193 26.459 21.219 1.247 possible 4385 269 M ALA N 12 N3H1s 0.700 1.640 2.705 12.936 13.872 0.933 [OK] 4386 269 M ALA CA 4 C4H1b 0.770 1.880 2.742 14.273 13.959 1.023 [OK] 4387 269 M ALA C 1 C3H0s 0.770 1.610 2.708 8.439 8.858 0.953 [OK] 4388 269 M ALA O 16 O1H0u 0.660 1.420 2.485 16.776 16.026 1.047 [OK] 4389 269 M ALA CB 10 C4H3u 0.770 1.880 3.452 46.034 36.551 1.259 possible 4390 270 M ILE N 12 N3H1s 0.700 1.640 2.746 13.646 13.493 1.011 [OK] 4391 270 M ILE CA 3 C4H1s 0.770 1.880 2.954 16.571 12.946 1.280 [OK] 4392 270 M ILE C 1 C3H0s 0.770 1.610 2.716 7.835 8.445 0.928 [OK] 4393 270 M ILE O 16 O1H0u 0.660 1.420 2.746 17.420 15.930 1.094 [OK] 4394 270 M ILE CB 4 C4H1b 0.770 1.880 2.868 16.727 14.146 1.182 [OK] 4395 270 M ILE CG1 9 C4H2b 0.770 1.880 3.228 26.922 24.071 1.118 possible 4396 270 M ILE CG2 10 C4H3u 0.770 1.880 2.995 34.130 35.763 0.954 [OK] 4397 270 M ILE CD1 10 C4H3u 0.770 1.880 3.030 38.560 38.219 1.009 possible 4398 271 M TRP N 12 N3H1s 0.700 1.640 2.633 11.829 13.639 0.867 [OK] 4399 271 M TRP CA 3 C4H1s 0.770 1.880 2.927 12.495 13.323 0.938 [OK] 4400 271 M TRP C 1 C3H0s 0.770 1.610 2.898 9.576 8.687 1.102 [OK] 4401 271 M TRP O 16 O1H0u 0.660 1.420 2.357 14.460 15.797 0.915 [OK] 4402 271 M TRP CB 8 C4H2s 0.770 1.880 3.305 29.454 23.826 1.236 possible 4403 271 M TRP CG 2 C3H0b 0.770 1.610 2.709 9.776 9.915 0.986 [OK] 4404 271 M TRP CD1 5 C3H1s 0.770 1.760 2.859 23.501 20.597 1.141 [OK] 4405 271 M TRP CD2 2 C3H0b 0.770 1.610 2.710 10.873 10.068 1.080 [OK] 4406 271 M TRP NE1 13 N3H1b 0.700 1.640 2.993 20.515 16.723 1.227 [OK] 4407 271 M TRP CE2 2 C3H0b 0.770 1.610 2.652 9.950 9.848 1.010 [OK] 4408 271 M TRP CE3 6 C3H1b 0.770 1.760 2.885 20.200 20.383 0.991 [OK] 4409 271 M TRP CZ2 6 C3H1b 0.770 1.760 5.045 34.899 20.931 1.667 possible 4410 271 M TRP CZ3 6 C3H1b 0.770 1.760 3.523 25.305 21.429 1.181 possible 4411 271 M TRP CH2 6 C3H1b 0.770 1.760 6.682 48.656 21.219 2.293 possible 4412 272 M MET N 12 N3H1s 0.700 1.640 2.974 13.697 13.405 1.022 [OK] 4413 272 M MET CA 3 C4H1s 0.770 1.880 3.004 16.332 13.194 1.238 possible 4414 272 M MET C 1 C3H0s 0.770 1.610 2.306 7.711 8.756 0.881 [OK] 4415 272 M MET O 16 O1H0u 0.660 1.420 2.443 18.493 16.002 1.156 [OK] 4416 272 M MET CB 8 C4H2s 0.770 1.880 3.192 24.812 23.418 1.060 possible 4417 272 M MET CG 9 C4H2b 0.770 1.880 2.672 23.504 23.830 0.986 [OK] 4418 272 M MET SD 19 S2H0u 1.040 1.770 3.285 31.478 30.207 1.042 possible 4419 272 M MET CE 10 C4H3u 0.770 1.880 3.238 44.489 37.003 1.202 possible 4420 273 M ALA N 12 N3H1s 0.700 1.640 2.394 13.742 13.872 0.991 [OK] 4421 273 M ALA CA 4 C4H1b 0.770 1.880 2.919 14.118 13.959 1.011 [OK] 4422 273 M ALA C 1 C3H0s 0.770 1.610 2.704 9.044 8.858 1.021 [OK] 4423 273 M ALA O 16 O1H0u 0.660 1.420 2.793 18.521 16.026 1.156 [OK] 4424 273 M ALA CB 10 C4H3u 0.770 1.880 3.155 40.376 36.551 1.105 possible 4425 274 M VAL N 12 N3H1s 0.700 1.640 2.930 13.636 13.553 1.006 [OK] 4426 274 M VAL CA 3 C4H1s 0.770 1.880 3.034 13.752 13.078 1.052 possible 4427 274 M VAL C 1 C3H0s 0.770 1.610 2.370 7.727 8.528 0.906 [OK] 4428 274 M VAL O 16 O1H0u 0.660 1.420 2.395 15.502 15.998 0.969 [OK] 4429 274 M VAL CB 4 C4H1b 0.770 1.880 2.998 12.631 14.514 0.870 [OK] 4430 274 M VAL CG1 10 C4H3u 0.770 1.880 3.025 33.563 36.320 0.924 possible 4431 274 M VAL CG2 10 C4H3u 0.770 1.880 3.241 37.205 36.173 1.029 possible 4432 275 M LEU N 12 N3H1s 0.700 1.640 2.434 12.570 13.517 0.930 [OK] 4433 275 M LEU CA 3 C4H1s 0.770 1.880 2.788 12.822 13.055 0.982 [OK] 4434 275 M LEU C 1 C3H0s 0.770 1.610 2.222 8.823 8.781 1.005 [OK] 4435 275 M LEU O 16 O1H0u 0.660 1.420 2.484 15.183 15.957 0.951 [OK] 4436 275 M LEU CB 8 C4H2s 0.770 1.880 2.865 22.711 22.818 0.995 [OK] 4437 275 M LEU CG 4 C4H1b 0.770 1.880 2.846 14.390 14.704 0.979 [OK] 4438 275 M LEU CD1 10 C4H3u 0.770 1.880 3.199 41.366 37.235 1.111 possible 4439 275 M LEU CD2 10 C4H3u 0.770 1.880 3.189 41.007 37.020 1.108 possible 4440 276 M VAL N 12 N3H1s 0.700 1.640 2.489 14.075 13.553 1.039 [OK] 4441 276 M VAL CA 3 C4H1s 0.770 1.880 2.731 14.114 13.078 1.079 [OK] 4442 276 M VAL C 1 C3H0s 0.770 1.610 2.392 7.369 8.528 0.864 [OK] 4443 276 M VAL O 16 O1H0u 0.660 1.420 2.842 16.554 15.998 1.035 [OK] 4444 276 M VAL CB 4 C4H1b 0.770 1.880 3.261 15.856 14.514 1.092 possible 4445 276 M VAL CG1 10 C4H3u 0.770 1.880 3.201 36.811 36.320 1.014 possible 4446 276 M VAL CG2 10 C4H3u 0.770 1.880 3.011 34.267 36.173 0.947 possible 4447 277 M THR N 12 N3H1s 0.700 1.640 2.639 14.183 13.544 1.047 [OK] 4448 277 M THR CA 3 C4H1s 0.770 1.880 3.325 15.610 13.025 1.198 possible 4449 277 M THR C 1 C3H0s 0.770 1.610 2.575 8.880 8.685 1.022 [OK] 4450 277 M THR O 16 O1H0u 0.660 1.420 2.464 16.299 15.795 1.032 [OK] 4451 277 M THR CB 4 C4H1b 0.770 1.880 2.853 14.394 14.687 0.980 [OK] 4452 277 M THR OG1 17 O2H1u 0.660 1.460 2.532 17.097 17.610 0.971 [OK] 4453 277 M THR CG2 10 C4H3u 0.770 1.880 3.105 36.979 36.265 1.020 possible 4454 278 M LEU N 12 N3H1s 0.700 1.640 2.618 13.768 13.517 1.019 [OK] 4455 278 M LEU CA 3 C4H1s 0.770 1.880 2.911 12.736 13.055 0.976 [OK] 4456 278 M LEU C 1 C3H0s 0.770 1.610 2.765 8.668 8.781 0.987 [OK] 4457 278 M LEU O 16 O1H0u 0.660 1.420 2.577 15.925 15.957 0.998 [OK] 4458 278 M LEU CB 8 C4H2s 0.770 1.880 3.057 20.897 22.818 0.916 possible 4459 278 M LEU CG 4 C4H1b 0.770 1.880 3.947 19.203 14.704 1.306 possible 4460 278 M LEU CD1 10 C4H3u 0.770 1.880 6.129 46.097 37.235 1.238 possible 4461 278 M LEU CD2 10 C4H3u 0.770 1.880 6.370 79.793 37.020 2.155 possible 4462 279 M THR N 12 N3H1s 0.700 1.640 3.031 15.337 13.544 1.132 possible 4463 279 M THR CA 3 C4H1s 0.770 1.880 3.178 16.301 13.025 1.251 possible 4464 279 M THR C 1 C3H0s 0.770 1.610 2.645 8.030 8.685 0.925 [OK] 4465 279 M THR O 16 O1H0u 0.660 1.420 2.573 15.275 15.795 0.967 [OK] 4466 279 M THR CB 4 C4H1b 0.770 1.880 2.738 13.996 14.687 0.953 [OK] 4467 279 M THR OG1 17 O2H1u 0.660 1.460 2.648 21.323 17.610 1.211 [OK] 4468 279 M THR CG2 10 C4H3u 0.770 1.880 3.118 31.292 36.265 0.863 possible 4469 280 M GLY N 12 N3H1s 0.700 1.640 2.747 14.764 14.480 1.020 [OK] 4470 280 M GLY CA 8 C4H2s 0.770 1.880 3.163 25.124 23.470 1.070 possible 4471 280 M GLY C 2 C3H0b 0.770 1.610 2.426 9.247 9.652 0.958 [OK] 4472 280 M GLY O 16 O1H0u 0.660 1.420 2.529 14.382 16.154 0.890 [OK] 4473 281 M GLY N 12 N3H1s 0.700 1.640 2.589 15.087 14.480 1.042 [OK] 4474 281 M GLY CA 8 C4H2s 0.770 1.880 2.865 24.569 23.470 1.047 [OK] 4475 281 M GLY C 2 C3H0b 0.770 1.610 2.502 9.198 9.652 0.953 [OK] 4476 281 M GLY O 16 O1H0u 0.660 1.420 2.449 15.537 16.154 0.962 [OK] 4477 282 M ILE N 12 N3H1s 0.700 1.640 2.549 13.314 13.493 0.987 [OK] 4478 282 M ILE CA 3 C4H1s 0.770 1.880 3.356 15.755 12.946 1.217 possible 4479 282 M ILE C 1 C3H0s 0.770 1.610 2.389 7.889 8.445 0.934 [OK] 4480 282 M ILE O 16 O1H0u 0.660 1.420 2.752 14.772 15.930 0.927 [OK] 4481 282 M ILE CB 4 C4H1b 0.770 1.880 2.722 13.287 14.146 0.939 [OK] 4482 282 M ILE CG1 9 C4H2b 0.770 1.880 6.025 37.181 24.071 1.545 possible 4483 282 M ILE CG2 10 C4H3u 0.770 1.880 5.419 46.908 35.763 1.312 possible 4484 282 M ILE CD1 10 C4H3u 0.770 1.880 29.676 -1.000 38.219 -1.000 bad 4485 283 M GLY N 12 N3H1s 0.700 1.640 2.642 13.168 14.480 0.909 [OK] 4486 283 M GLY CA 8 C4H2s 0.770 1.880 3.056 23.710 23.470 1.010 possible 4487 283 M GLY C 2 C3H0b 0.770 1.610 2.919 9.982 9.652 1.034 [OK] 4488 283 M GLY O 16 O1H0u 0.660 1.420 2.709 16.548 16.154 1.024 [OK] 4489 284 M ILE N 12 N3H1s 0.700 1.640 2.469 12.644 13.493 0.937 [OK] 4490 284 M ILE CA 3 C4H1s 0.770 1.880 2.955 12.978 12.946 1.003 [OK] 4491 284 M ILE C 1 C3H0s 0.770 1.610 2.428 8.289 8.445 0.982 [OK] 4492 284 M ILE O 16 O1H0u 0.660 1.420 2.451 15.731 15.930 0.987 [OK] 4493 284 M ILE CB 4 C4H1b 0.770 1.880 2.870 14.855 14.146 1.050 [OK] 4494 284 M ILE CG1 9 C4H2b 0.770 1.880 2.719 22.044 24.071 0.916 [OK] 4495 284 M ILE CG2 10 C4H3u 0.770 1.880 3.320 38.239 35.763 1.069 possible 4496 284 M ILE CD1 10 C4H3u 0.770 1.880 3.381 34.943 38.219 0.914 possible 4497 285 M LEU N 12 N3H1s 0.700 1.640 2.339 11.673 13.517 0.864 [OK] 4498 285 M LEU CA 3 C4H1s 0.770 1.880 2.902 13.751 13.055 1.053 [OK] 4499 285 M LEU C 1 C3H0s 0.770 1.610 2.832 8.620 8.781 0.982 [OK] 4500 285 M LEU O 16 O1H0u 0.660 1.420 3.232 18.730 15.957 1.174 possible 4501 285 M LEU CB 8 C4H2s 0.770 1.880 3.361 24.595 22.818 1.078 possible 4502 285 M LEU CG 4 C4H1b 0.770 1.880 3.102 16.431 14.704 1.117 possible 4503 285 M LEU CD1 10 C4H3u 0.770 1.880 37.110 -1.000 37.235 -1.000 bad 4504 285 M LEU CD2 10 C4H3u 0.770 1.880 3.618 35.975 37.020 0.972 possible 4505 286 M LEU N 12 N3H1s 0.700 1.640 2.689 12.838 13.517 0.950 [OK] 4506 286 M LEU CA 3 C4H1s 0.770 1.880 3.041 13.809 13.055 1.058 possible 4507 286 M LEU C 1 C3H0s 0.770 1.610 2.403 8.771 8.781 0.999 [OK] 4508 286 M LEU O 16 O1H0u 0.660 1.420 2.397 15.751 15.957 0.987 [OK] 4509 286 M LEU CB 8 C4H2s 0.770 1.880 2.997 24.354 22.818 1.067 [OK] 4510 286 M LEU CG 4 C4H1b 0.770 1.880 3.401 15.576 14.704 1.059 possible 4511 286 M LEU CD1 10 C4H3u 0.770 1.880 3.233 39.053 37.235 1.049 possible 4512 286 M LEU CD2 10 C4H3u 0.770 1.880 4.970 67.091 37.020 1.812 possible 4513 287 M SER N 12 N3H1s 0.700 1.640 2.369 13.153 13.808 0.953 [OK] 4514 287 M SER CA 3 C4H1s 0.770 1.880 3.034 14.033 13.351 1.051 possible 4515 287 M SER C 1 C3H0s 0.770 1.610 2.440 8.721 8.858 0.984 [OK] 4516 287 M SER O 16 O1H0u 0.660 1.420 2.412 16.368 15.860 1.032 [OK] 4517 287 M SER CB 8 C4H2s 0.770 1.880 2.904 22.469 23.599 0.952 [OK] 4518 287 M SER OG 17 O2H1u 0.660 1.460 2.771 19.881 18.021 1.103 [OK] 4519 288 M GLY N 12 N3H1s 0.700 1.640 2.662 13.072 14.480 0.903 [OK] 4520 288 M GLY CA 8 C4H2s 0.770 1.880 4.043 28.272 23.470 1.205 possible 4521 288 M GLY C 2 C3H0b 0.770 1.610 3.169 10.814 9.652 1.120 possible 4522 288 M GLY O 16 O1H0u 0.660 1.420 7.297 70.290 16.154 4.351 possible 4523 289 M THR N 12 N3H1s 0.700 1.640 2.521 13.051 13.544 0.964 [OK] 4524 289 M THR CA 3 C4H1s 0.770 1.880 4.280 17.457 13.025 1.340 possible 4525 289 M THR C 1 C3H0s 0.770 1.610 3.600 10.280 8.685 1.184 possible 4526 289 M THR O 16 O1H0u 0.660 1.420 27.736 -1.000 15.795 -1.000 bad 4527 289 M THR CB 4 C4H1b 0.770 1.880 4.293 25.425 14.687 1.731 possible 4528 289 M THR OG1 17 O2H1u 0.660 1.460 4.058 24.231 17.610 1.376 possible 4529 289 M THR CG2 10 C4H3u 0.770 1.880 3.090 37.771 36.265 1.042 possible 4530 290 M VAL N 12 N3H1s 0.700 1.640 3.862 17.376 13.553 1.282 possible 4531 290 M VAL CA 3 C4H1s 0.770 1.880 5.733 23.660 13.078 1.809 possible 4532 290 M VAL C 1 C3H0s 0.770 1.610 4.082 11.805 8.528 1.384 possible 4533 290 M VAL O 16 O1H0u 0.660 1.420 17.279 -1.000 15.998 -1.000 bad 4534 290 M VAL CB 4 C4H1b 0.770 1.880 3.121 15.450 14.514 1.064 possible 4535 290 M VAL CG1 10 C4H3u 0.770 1.880 3.169 39.507 36.320 1.088 possible 4536 290 M VAL CG2 10 C4H3u 0.770 1.880 33.036 -1.000 36.173 -1.000 bad 4537 291 M VAL N 12 N3H1s 0.700 1.640 3.233 14.660 13.553 1.082 possible 4538 291 M VAL CA 3 C4H1s 0.770 1.880 4.959 17.120 13.078 1.309 possible 4539 291 M VAL C 1 C3H0s 0.770 1.610 3.136 8.537 8.528 1.001 possible 4540 291 M VAL O 16 O1H0u 0.660 1.420 2.651 18.432 15.998 1.152 [OK] 4541 291 M VAL CB 4 C4H1b 0.770 1.880 2.799 14.250 14.514 0.982 [OK] 4542 291 M VAL CG1 10 C4H3u 0.770 1.880 3.744 32.329 36.320 0.890 possible 4543 291 M VAL CG2 10 C4H3u 0.770 1.880 4.651 37.972 36.173 1.050 possible 4544 292 M ASP N 12 N3H1s 0.700 1.640 5.592 32.865 13.654 2.407 possible 4545 292 M ASP CA 3 C4H1s 0.770 1.880 3.051 15.419 13.254 1.163 possible 4546 292 M ASP C 1 C3H0s 0.770 1.610 2.777 9.570 8.750 1.094 [OK] 4547 292 M ASP O 16 O1H0u 0.660 1.420 2.764 16.390 15.757 1.040 [OK] 4548 292 M ASP CB 8 C4H2s 0.770 1.880 22.682 -1.000 23.022 -1.000 bad 4549 292 M ASP CG 2 C3H0b 0.770 1.610 3.966 -1.000 9.336 -1.000 bad 4550 292 M ASP OD1 16 O1H0u 0.660 1.420 17.948 -1.000 15.078 -1.000 bad 4551 292 M ASP OD2 16 O1H0u 0.660 1.420 37.682 -1.000 15.582 -1.000 bad 4552 293 M ASN N 12 N3H1s 0.700 1.640 3.847 17.871 13.525 1.321 possible 4553 293 M ASN CA 3 C4H1s 0.770 1.880 2.626 11.410 13.052 0.874 [OK] 4554 293 M ASN C 1 C3H0s 0.770 1.610 2.185 7.811 8.853 0.882 [OK] 4555 293 M ASN O 16 O1H0u 0.660 1.420 4.023 18.828 15.857 1.187 possible 4556 293 M ASN CB 8 C4H2s 0.770 1.880 5.299 36.553 22.756 1.606 possible 4557 293 M ASN CG 2 C3H0b 0.770 1.610 2.559 8.369 9.537 0.878 [OK] 4558 293 M ASN OD1 16 O1H0u 0.660 1.420 2.593 13.194 16.247 0.812 [OK] 4559 293 M ASN ND2 15 N3H2u 0.700 1.640 24.240 -1.000 22.525 -1.000 bad 4560 294 M TRP N 12 N3H1s 0.700 1.640 2.705 13.379 13.639 0.981 [OK] 4561 294 M TRP CA 3 C4H1s 0.770 1.880 2.597 12.835 13.323 0.963 [OK] 4562 294 M TRP C 1 C3H0s 0.770 1.610 2.181 8.144 8.687 0.938 [OK] 4563 294 M TRP O 16 O1H0u 0.660 1.420 2.739 17.282 15.797 1.094 [OK] 4564 294 M TRP CB 8 C4H2s 0.770 1.880 2.955 23.396 23.826 0.982 [OK] 4565 294 M TRP CG 2 C3H0b 0.770 1.610 2.510 9.456 9.915 0.954 [OK] 4566 294 M TRP CD1 5 C3H1s 0.770 1.760 3.046 22.687 20.597 1.101 possible 4567 294 M TRP CD2 2 C3H0b 0.770 1.610 2.146 8.470 10.068 0.841 [OK] 4568 294 M TRP NE1 13 N3H1b 0.700 1.640 2.952 17.690 16.723 1.058 [OK] 4569 294 M TRP CE2 2 C3H0b 0.770 1.610 2.537 8.373 9.848 0.850 [OK] 4570 294 M TRP CE3 6 C3H1b 0.770 1.760 2.770 19.880 20.383 0.975 [OK] 4571 294 M TRP CZ2 6 C3H1b 0.770 1.760 2.868 19.607 20.931 0.937 [OK] 4572 294 M TRP CZ3 6 C3H1b 0.770 1.760 3.314 23.114 21.429 1.079 possible 4573 294 M TRP CH2 6 C3H1b 0.770 1.760 3.181 23.565 21.219 1.111 possible 4574 295 M TYR N 12 N3H1s 0.700 1.640 2.464 13.763 13.473 1.022 [OK] 4575 295 M TYR CA 3 C4H1s 0.770 1.880 3.323 15.660 13.249 1.182 possible 4576 295 M TYR C 1 C3H0s 0.770 1.610 2.046 7.732 8.714 0.887 [OK] 4577 295 M TYR O 16 O1H0u 0.660 1.420 3.447 18.218 15.901 1.146 possible 4578 295 M TYR CB 8 C4H2s 0.770 1.880 5.936 35.422 23.426 1.512 possible 4579 295 M TYR CG 2 C3H0b 0.770 1.610 7.462 16.342 9.695 1.686 possible 4580 295 M TYR CD1 5 C3H1s 0.770 1.760 7.695 36.180 20.057 1.804 possible 4581 295 M TYR CD2 5 C3H1s 0.770 1.760 6.589 -1.000 20.578 -1.000 bad 4582 295 M TYR CE1 5 C3H1s 0.770 1.760 20.124 -1.000 20.534 -1.000 bad 4583 295 M TYR CE2 5 C3H1s 0.770 1.760 25.019 -1.000 20.577 -1.000 bad 4584 295 M TYR CZ 2 C3H0b 0.770 1.610 0.739 -1.000 9.888 -1.000 bad 4585 295 M TYR OH 17 O2H1u 0.660 1.460 44.046 -1.000 18.541 -1.000 bad 4586 296 M VAL N 12 N3H1s 0.700 1.640 2.323 11.028 13.553 0.814 [OK] 4587 296 M VAL CA 3 C4H1s 0.770 1.880 3.679 15.049 13.078 1.151 possible 4588 296 M VAL C 1 C3H0s 0.770 1.610 3.227 8.527 8.528 1.000 possible 4589 296 M VAL O 16 O1H0u 0.660 1.420 3.326 18.014 15.998 1.126 possible 4590 296 M VAL CB 4 C4H1b 0.770 1.880 4.162 17.864 14.514 1.231 possible 4591 296 M VAL CG1 10 C4H3u 0.770 1.880 52.663 -1.000 36.320 -1.000 bad 4592 296 M VAL CG2 10 C4H3u 0.770 1.880 28.137 -1.000 36.173 -1.000 bad 4593 297 M TRP N 12 N3H1s 0.700 1.640 4.200 15.518 13.639 1.138 possible 4594 297 M TRP CA 3 C4H1s 0.770 1.880 4.462 19.288 13.323 1.448 possible 4595 297 M TRP C 1 C3H0s 0.770 1.610 1.983 7.456 8.687 0.858 [OK] 4596 297 M TRP O 16 O1H0u 0.660 1.420 2.453 14.871 15.797 0.941 [OK] 4597 297 M TRP CB 8 C4H2s 0.770 1.880 4.843 29.140 23.826 1.223 possible 4598 297 M TRP CG 2 C3H0b 0.770 1.610 2.532 10.204 9.915 1.029 [OK] 4599 297 M TRP CD1 5 C3H1s 0.770 1.760 4.061 23.599 20.597 1.146 possible 4600 297 M TRP CD2 2 C3H0b 0.770 1.610 2.302 9.953 10.068 0.989 [OK] 4601 297 M TRP NE1 13 N3H1b 0.700 1.640 2.421 13.612 16.723 0.814 [OK] 4602 297 M TRP CE2 2 C3H0b 0.770 1.610 2.389 9.686 9.848 0.984 [OK] 4603 297 M TRP CE3 6 C3H1b 0.770 1.760 3.112 21.784 20.383 1.069 possible 4604 297 M TRP CZ2 6 C3H1b 0.770 1.760 3.327 22.854 20.931 1.092 possible 4605 297 M TRP CZ3 6 C3H1b 0.770 1.760 4.497 38.517 21.429 1.797 possible 4606 297 M TRP CH2 6 C3H1b 0.770 1.760 4.480 32.377 21.219 1.526 possible 4607 298 M GLY N 12 N3H1s 0.700 1.640 2.426 11.779 14.480 0.813 [OK] 4608 298 M GLY CA 8 C4H2s 0.770 1.880 4.452 47.325 23.470 2.016 possible 4609 298 M GLY C 2 C3H0b 0.770 1.610 3.803 11.463 9.652 1.188 possible 4610 298 M GLY O 16 O1H0u 0.660 1.420 5.607 61.396 16.154 3.801 possible 4611 299 M GLN N 12 N3H1s 0.700 1.640 2.718 11.937 13.449 0.888 [OK] 4612 299 M GLN CA 3 C4H1s 0.770 1.880 3.469 13.698 13.231 1.035 possible 4613 299 M GLN C 1 C3H0s 0.770 1.610 3.314 9.514 8.744 1.088 possible 4614 299 M GLN O 16 O1H0u 0.660 1.420 24.632 -1.000 15.767 -1.000 bad 4615 299 M GLN CB 8 C4H2s 0.770 1.880 9.331 -1.000 23.059 -1.000 bad 4616 299 M GLN CG 8 C4H2s 0.770 1.880 10.667 -1.000 23.218 -1.000 bad 4617 299 M GLN CD 2 C3H0b 0.770 1.610 4.164 12.287 9.618 1.278 possible 4618 299 M GLN OE1 16 O1H0u 0.660 1.420 22.957 -1.000 16.571 -1.000 bad 4619 299 M GLN NE2 15 N3H2u 0.700 1.640 46.951 -1.000 23.255 -1.000 bad 4620 300 M ASN N 12 N3H1s 0.700 1.640 2.730 11.974 13.525 0.885 [OK] 4621 300 M ASN CA 3 C4H1s 0.770 1.880 6.638 -1.000 13.052 -1.000 bad 4622 300 M ASN C 1 C3H0s 0.770 1.610 3.246 8.960 8.853 1.012 possible 4623 300 M ASN O 16 O1H0u 0.660 1.420 2.896 15.386 15.857 0.970 [OK] 4624 300 M ASN CB 8 C4H2s 0.770 1.880 35.908 -1.000 22.756 -1.000 bad 4625 300 M ASN CG 2 C3H0b 0.770 1.610 3.439 -1.000 9.537 -1.000 bad 4626 300 M ASN OD1 16 O1H0u 0.660 1.420 7.791 -1.000 16.247 -1.000 bad 4627 300 M ASN ND2 15 N3H2u 0.700 1.640 37.946 -1.000 22.525 -1.000 bad 4628 301 M HIS N 12 N3H1s 0.700 1.640 6.023 -1.000 13.532 -1.000 bad 4629 301 M HIS CA 3 C4H1s 0.770 1.880 2.603 12.672 13.335 0.950 [OK] 4630 301 M HIS C 1 C3H0s 0.770 1.610 4.495 12.252 8.760 1.399 possible 4631 301 M HIS O 16 O1H0u 0.660 1.420 2.734 15.220 15.855 0.960 [OK] 4632 301 M HIS CB 8 C4H2s 0.770 1.880 14.942 -1.000 23.443 -1.000 bad 4633 301 M HIS CG 2 C3H0b 0.770 1.610 0.093 -1.000 9.870 -1.000 bad 4634 301 M HIS ND1 13 N3H1b 0.700 1.640 13.404 -1.000 15.483 -1.000 bad 4635 301 M HIS CD2 5 C3H1s 0.770 1.760 13.772 -1.000 20.938 -1.000 bad 4636 301 M HIS CE1 5 C3H1s 0.770 1.760 38.799 -1.000 20.491 -1.000 bad 4637 301 M HIS NE2 13 N3H1b 0.700 1.640 20.164 -1.000 15.758 -1.000 bad 4638 302 M GLY N 12 N3H1s 0.700 1.640 5.598 -1.000 14.480 -1.000 bad 4639 302 M GLY CA 8 C4H2s 0.770 1.880 18.698 -1.000 23.470 -1.000 bad 4640 302 M GLY C 2 C3H0b 0.770 1.610 3.092 10.692 9.652 1.108 possible 4641 302 M GLY O 16 O1H0u 0.660 1.420 36.516 -1.000 16.154 -1.000 bad 4642 302 M GLY OXT 16 O1H0u 0.660 1.420 6.107 49.429 1.420 34.809 possible 4644 11 H ASP N 12 N3H1s 0.700 1.640 28.644 -1.000 13.654 -1.000 bad 4645 11 H ASP CA 3 C4H1s 0.770 1.880 15.110 -1.000 13.254 -1.000 bad 4646 11 H ASP C 1 C3H0s 0.770 1.610 5.357 12.988 8.750 1.484 possible 4647 11 H ASP O 16 O1H0u 0.660 1.420 3.791 17.365 15.757 1.102 possible 4648 11 H ASP CB 8 C4H2s 0.770 1.880 6.711 41.295 23.022 1.794 possible 4649 11 H ASP CG 2 C3H0b 0.770 1.610 2.572 10.030 9.336 1.074 [OK] 4650 11 H ASP OD1 16 O1H0u 0.660 1.420 2.220 13.460 15.078 0.893 [OK] 4651 11 H ASP OD2 16 O1H0u 0.660 1.420 4.633 34.324 15.582 2.203 possible 4652 12 H LEU N 12 N3H1s 0.700 1.640 5.131 20.857 13.517 1.543 possible 4653 12 H LEU CA 3 C4H1s 0.770 1.880 3.748 13.756 13.055 1.054 possible 4654 12 H LEU C 1 C3H0s 0.770 1.610 2.713 8.378 8.781 0.954 [OK] 4655 12 H LEU O 16 O1H0u 0.660 1.420 2.532 12.638 15.957 0.792 [OK] 4656 12 H LEU CB 8 C4H2s 0.770 1.880 3.024 23.266 22.818 1.020 possible 4657 12 H LEU CG 4 C4H1b 0.770 1.880 6.974 39.384 14.704 2.678 possible 4658 12 H LEU CD1 10 C4H3u 0.770 1.880 23.733 -1.000 37.235 -1.000 bad 4659 12 H LEU CD2 10 C4H3u 0.770 1.880 50.394 -1.000 37.020 -1.000 bad 4660 13 H ALA N 12 N3H1s 0.700 1.640 2.629 15.616 13.872 1.126 [OK] 4661 13 H ALA CA 4 C4H1b 0.770 1.880 3.124 15.111 13.959 1.083 possible 4662 13 H ALA C 1 C3H0s 0.770 1.610 2.777 8.342 8.858 0.942 [OK] 4663 13 H ALA O 16 O1H0u 0.660 1.420 2.932 16.170 16.026 1.009 [OK] 4664 13 H ALA CB 10 C4H3u 0.770 1.880 3.442 37.066 36.551 1.014 possible 4665 14 H SER N 12 N3H1s 0.700 1.640 2.270 11.655 13.808 0.844 [OK] 4666 14 H SER CA 3 C4H1s 0.770 1.880 3.249 13.941 13.351 1.044 possible 4667 14 H SER C 1 C3H0s 0.770 1.610 4.463 9.353 8.858 1.056 possible 4668 14 H SER O 16 O1H0u 0.660 1.420 4.708 28.002 15.860 1.766 possible 4669 14 H SER CB 8 C4H2s 0.770 1.880 28.111 -1.000 23.599 -1.000 bad 4670 14 H SER OG 17 O2H1u 0.660 1.460 5.646 23.373 18.021 1.297 possible 4671 15 H LEU N 12 N3H1s 0.700 1.640 5.239 16.651 13.517 1.232 possible 4672 15 H LEU CA 3 C4H1s 0.770 1.880 6.989 27.207 13.055 2.084 possible 4673 15 H LEU C 1 C3H0s 0.770 1.610 2.432 7.629 8.781 0.869 [OK] 4674 15 H LEU O 16 O1H0u 0.660 1.420 2.552 14.854 15.957 0.931 [OK] 4675 15 H LEU CB 8 C4H2s 0.770 1.880 6.601 49.485 22.818 2.169 possible 4676 15 H LEU CG 4 C4H1b 0.770 1.880 3.368 14.875 14.704 1.012 possible 4677 15 H LEU CD1 10 C4H3u 0.770 1.880 48.953 -1.000 37.235 -1.000 bad 4678 15 H LEU CD2 10 C4H3u 0.770 1.880 39.680 -1.000 37.020 -1.000 bad 4679 16 H ALA N 12 N3H1s 0.700 1.640 2.701 12.244 13.872 0.883 [OK] 4680 16 H ALA CA 4 C4H1b 0.770 1.880 5.788 24.399 13.959 1.748 possible 4681 16 H ALA C 1 C3H0s 0.770 1.610 2.662 8.529 8.858 0.963 [OK] 4682 16 H ALA O 16 O1H0u 0.660 1.420 3.948 20.444 16.026 1.276 possible 4683 16 H ALA CB 10 C4H3u 0.770 1.880 6.836 72.142 36.551 1.974 possible 4684 17 H ILE N 12 N3H1s 0.700 1.640 2.439 12.809 13.493 0.949 [OK] 4685 17 H ILE CA 3 C4H1s 0.770 1.880 2.606 12.398 12.946 0.958 [OK] 4686 17 H ILE C 1 C3H0s 0.770 1.610 3.055 8.585 8.445 1.017 possible 4687 17 H ILE O 16 O1H0u 0.660 1.420 2.961 15.144 15.930 0.951 [OK] 4688 17 H ILE CB 4 C4H1b 0.770 1.880 3.383 15.779 14.146 1.115 possible 4689 17 H ILE CG1 9 C4H2b 0.770 1.880 5.912 46.112 24.071 1.916 possible 4690 17 H ILE CG2 10 C4H3u 0.770 1.880 6.193 61.697 35.763 1.725 possible 4691 17 H ILE CD1 10 C4H3u 0.770 1.880 2.972 36.908 38.219 0.966 [OK] 4692 18 H TYR N 12 N3H1s 0.700 1.640 3.285 13.217 13.473 0.981 possible 4693 18 H TYR CA 3 C4H1s 0.770 1.880 5.109 23.261 13.249 1.756 possible 4694 18 H TYR C 1 C3H0s 0.770 1.610 2.540 8.493 8.714 0.975 [OK] 4695 18 H TYR O 16 O1H0u 0.660 1.420 3.183 17.685 15.901 1.112 possible 4696 18 H TYR CB 8 C4H2s 0.770 1.880 7.362 52.017 23.426 2.220 possible 4697 18 H TYR CG 2 C3H0b 0.770 1.610 6.263 16.097 9.695 1.660 possible 4698 18 H TYR CD1 5 C3H1s 0.770 1.760 22.304 -1.000 20.057 -1.000 bad 4699 18 H TYR CD2 5 C3H1s 0.770 1.760 6.601 48.157 20.578 2.340 possible 4700 18 H TYR CE1 5 C3H1s 0.770 1.760 29.047 -1.000 20.534 -1.000 bad 4701 18 H TYR CE2 5 C3H1s 0.770 1.760 28.547 -1.000 20.577 -1.000 bad 4702 18 H TYR CZ 2 C3H0b 0.770 1.610 1.701 -1.000 9.888 -1.000 bad 4703 18 H TYR OH 17 O2H1u 0.660 1.460 44.170 -1.000 18.541 -1.000 bad 4704 19 H SER N 12 N3H1s 0.700 1.640 2.673 12.786 13.808 0.926 [OK] 4705 19 H SER CA 3 C4H1s 0.770 1.880 4.867 21.351 13.351 1.599 possible 4706 19 H SER C 1 C3H0s 0.770 1.610 3.728 8.844 8.858 0.998 possible 4707 19 H SER O 16 O1H0u 0.660 1.420 6.133 28.062 15.860 1.769 possible 4708 19 H SER CB 8 C4H2s 0.770 1.880 29.391 -1.000 23.599 -1.000 bad 4709 19 H SER OG 17 O2H1u 0.660 1.460 11.776 -1.000 18.021 -1.000 bad 4710 20 H PHE N 12 N3H1s 0.700 1.640 3.843 13.709 13.524 1.014 possible 4711 20 H PHE CA 3 C4H1s 0.770 1.880 4.909 18.735 13.371 1.401 possible 4712 20 H PHE C 1 C3H0s 0.770 1.610 2.215 7.393 8.697 0.850 [OK] 4713 20 H PHE O 16 O1H0u 0.660 1.420 2.452 13.689 15.961 0.858 [OK] 4714 20 H PHE CB 8 C4H2s 0.770 1.880 4.406 28.688 23.623 1.214 possible 4715 20 H PHE CG 2 C3H0b 0.770 1.610 2.710 10.488 9.684 1.083 [OK] 4716 20 H PHE CD1 5 C3H1s 0.770 1.760 5.134 40.513 20.325 1.993 possible 4717 20 H PHE CD2 6 C3H1b 0.770 1.760 2.998 23.568 20.948 1.125 [OK] 4718 20 H PHE CE1 6 C3H1b 0.770 1.760 3.672 30.662 21.532 1.424 possible 4719 20 H PHE CE2 6 C3H1b 0.770 1.760 2.952 20.821 21.625 0.963 [OK] 4720 20 H PHE CZ 6 C3H1b 0.770 1.760 3.035 25.745 21.555 1.194 possible 4721 21 H TRP N 12 N3H1s 0.700 1.640 2.635 13.600 13.639 0.997 [OK] 4722 21 H TRP CA 3 C4H1s 0.770 1.880 2.843 13.771 13.323 1.034 [OK] 4723 21 H TRP C 1 C3H0s 0.770 1.610 3.120 8.894 8.687 1.024 possible 4724 21 H TRP O 16 O1H0u 0.660 1.420 7.374 -1.000 15.797 -1.000 bad 4725 21 H TRP CB 8 C4H2s 0.770 1.880 18.589 -1.000 23.826 -1.000 bad 4726 21 H TRP CG 2 C3H0b 0.770 1.610 1.090 -1.000 9.915 -1.000 bad 4727 21 H TRP CD1 5 C3H1s 0.770 1.760 10.921 -1.000 20.597 -1.000 bad 4728 21 H TRP CD2 2 C3H0b 0.770 1.610 1.980 -1.000 10.068 -1.000 bad 4729 21 H TRP NE1 13 N3H1b 0.700 1.640 7.433 -1.000 16.723 -1.000 bad 4730 21 H TRP CE2 2 C3H0b 0.770 1.610 1.817 -1.000 9.848 -1.000 bad 4731 21 H TRP CE3 6 C3H1b 0.770 1.760 15.253 -1.000 20.383 -1.000 bad 4732 21 H TRP CZ2 6 C3H1b 0.770 1.760 6.727 -1.000 20.931 -1.000 bad 4733 21 H TRP CZ3 6 C3H1b 0.770 1.760 18.921 -1.000 21.429 -1.000 bad 4734 21 H TRP CH2 6 C3H1b 0.770 1.760 7.790 -1.000 21.219 -1.000 bad 4735 22 H ILE N 12 N3H1s 0.700 1.640 2.674 11.990 13.493 0.889 [OK] 4736 22 H ILE CA 3 C4H1s 0.770 1.880 4.038 16.595 12.946 1.282 possible 4737 22 H ILE C 1 C3H0s 0.770 1.610 2.557 7.877 8.445 0.933 [OK] 4738 22 H ILE O 16 O1H0u 0.660 1.420 4.761 26.245 15.930 1.648 possible 4739 22 H ILE CB 4 C4H1b 0.770 1.880 3.705 14.145 14.146 1.000 possible 4740 22 H ILE CG1 9 C4H2b 0.770 1.880 15.152 -1.000 24.071 -1.000 bad 4741 22 H ILE CG2 10 C4H3u 0.770 1.880 48.565 -1.000 35.763 -1.000 bad 4742 22 H ILE CD1 10 C4H3u 0.770 1.880 31.747 -1.000 38.219 -1.000 bad 4743 23 H PHE N 12 N3H1s 0.700 1.640 4.664 15.984 13.524 1.182 possible 4744 23 H PHE CA 3 C4H1s 0.770 1.880 6.272 30.748 13.371 2.300 possible 4745 23 H PHE C 1 C3H0s 0.770 1.610 2.315 7.538 8.697 0.867 [OK] 4746 23 H PHE O 16 O1H0u 0.660 1.420 4.352 21.318 15.961 1.336 possible 4747 23 H PHE CB 8 C4H2s 0.770 1.880 6.708 50.191 23.623 2.125 possible 4748 23 H PHE CG 2 C3H0b 0.770 1.610 6.467 18.695 9.684 1.931 possible 4749 23 H PHE CD1 5 C3H1s 0.770 1.760 22.372 -1.000 20.325 -1.000 bad 4750 23 H PHE CD2 6 C3H1b 0.770 1.760 4.797 27.945 20.948 1.334 possible 4751 23 H PHE CE1 6 C3H1b 0.770 1.760 31.435 -1.000 21.532 -1.000 bad 4752 23 H PHE CE2 6 C3H1b 0.770 1.760 4.398 29.085 21.625 1.345 possible 4753 23 H PHE CZ 6 C3H1b 0.770 1.760 4.931 37.436 21.555 1.737 possible 4754 24 H LEU N 12 N3H1s 0.700 1.640 2.669 12.670 13.517 0.937 [OK] 4755 24 H LEU CA 3 C4H1s 0.770 1.880 2.934 14.149 13.055 1.084 [OK] 4756 24 H LEU C 1 C3H0s 0.770 1.610 3.093 8.642 8.781 0.984 possible 4757 24 H LEU O 16 O1H0u 0.660 1.420 2.742 15.251 15.957 0.956 [OK] 4758 24 H LEU CB 8 C4H2s 0.770 1.880 3.482 23.950 22.818 1.050 possible 4759 24 H LEU CG 4 C4H1b 0.770 1.880 4.106 21.300 14.704 1.449 possible 4760 24 H LEU CD1 10 C4H3u 0.770 1.880 3.173 38.297 37.235 1.029 possible 4761 24 H LEU CD2 10 C4H3u 0.770 1.880 3.475 40.677 37.020 1.099 possible 4762 25 H ALA N 12 N3H1s 0.700 1.640 3.698 15.559 13.872 1.122 possible 4763 25 H ALA CA 4 C4H1b 0.770 1.880 4.704 23.342 13.959 1.672 possible 4764 25 H ALA C 1 C3H0s 0.770 1.610 4.601 10.107 8.858 1.141 possible 4765 25 H ALA O 16 O1H0u 0.660 1.420 5.346 36.633 16.026 2.286 possible 4766 25 H ALA CB 10 C4H3u 0.770 1.880 48.350 -1.000 36.551 -1.000 bad 4767 26 H GLY N 12 N3H1s 0.700 1.640 5.289 20.686 14.480 1.429 possible 4768 26 H GLY CA 8 C4H2s 0.770 1.880 32.980 -1.000 23.470 -1.000 bad 4769 26 H GLY C 2 C3H0b 0.770 1.610 6.338 16.932 9.652 1.754 possible 4770 26 H GLY O 16 O1H0u 0.660 1.420 5.288 -1.000 16.154 -1.000 bad 4771 27 H LEU N 12 N3H1s 0.700 1.640 4.406 18.475 13.517 1.367 possible 4772 27 H LEU CA 3 C4H1s 0.770 1.880 4.031 18.297 13.055 1.401 possible 4773 27 H LEU C 1 C3H0s 0.770 1.610 2.077 7.448 8.781 0.848 [OK] 4774 27 H LEU O 16 O1H0u 0.660 1.420 2.238 12.326 15.957 0.772 [OK] 4775 27 H LEU CB 8 C4H2s 0.770 1.880 3.687 25.135 22.818 1.102 possible 4776 27 H LEU CG 4 C4H1b 0.770 1.880 2.882 11.922 14.704 0.811 [OK] 4777 27 H LEU CD1 10 C4H3u 0.770 1.880 3.505 43.092 37.235 1.157 possible 4778 27 H LEU CD2 10 C4H3u 0.770 1.880 3.199 43.722 37.020 1.181 possible 4779 28 H ILE N 12 N3H1s 0.700 1.640 2.693 13.781 13.493 1.021 [OK] 4780 28 H ILE CA 3 C4H1s 0.770 1.880 2.765 13.335 12.946 1.030 [OK] 4781 28 H ILE C 1 C3H0s 0.770 1.610 2.169 7.442 8.445 0.881 [OK] 4782 28 H ILE O 16 O1H0u 0.660 1.420 2.836 16.084 15.930 1.010 [OK] 4783 28 H ILE CB 4 C4H1b 0.770 1.880 3.614 14.887 14.146 1.052 possible 4784 28 H ILE CG1 9 C4H2b 0.770 1.880 3.448 28.580 24.071 1.187 possible 4785 28 H ILE CG2 10 C4H3u 0.770 1.880 7.614 87.576 35.763 2.449 possible 4786 28 H ILE CD1 10 C4H3u 0.770 1.880 7.219 76.687 38.219 2.007 possible 4787 29 H TYR N 12 N3H1s 0.700 1.640 2.847 12.499 13.473 0.928 [OK] 4788 29 H TYR CA 3 C4H1s 0.770 1.880 3.333 14.931 13.249 1.127 possible 4789 29 H TYR C 1 C3H0s 0.770 1.610 2.426 7.857 8.714 0.902 [OK] 4790 29 H TYR O 16 O1H0u 0.660 1.420 2.368 14.977 15.901 0.942 [OK] 4791 29 H TYR CB 8 C4H2s 0.770 1.880 5.038 30.848 23.426 1.317 possible 4792 29 H TYR CG 2 C3H0b 0.770 1.610 7.156 17.755 9.695 1.831 possible 4793 29 H TYR CD1 5 C3H1s 0.770 1.760 13.460 -1.000 20.057 -1.000 bad 4794 29 H TYR CD2 5 C3H1s 0.770 1.760 13.804 -1.000 20.578 -1.000 bad 4795 29 H TYR CE1 5 C3H1s 0.770 1.760 16.003 -1.000 20.534 -1.000 bad 4796 29 H TYR CE2 5 C3H1s 0.770 1.760 26.561 -1.000 20.577 -1.000 bad 4797 29 H TYR CZ 2 C3H0b 0.770 1.610 2.425 -1.000 9.888 -1.000 bad 4798 29 H TYR OH 17 O2H1u 0.660 1.460 15.019 -1.000 18.541 -1.000 bad 4799 30 H TYR N 12 N3H1s 0.700 1.640 3.308 13.343 13.473 0.990 possible 4800 30 H TYR CA 3 C4H1s 0.770 1.880 4.854 21.571 13.249 1.628 possible 4801 30 H TYR C 1 C3H0s 0.770 1.610 2.282 7.242 8.714 0.831 [OK] 4802 30 H TYR O 16 O1H0u 0.660 1.420 2.777 14.809 15.901 0.931 [OK] 4803 30 H TYR CB 8 C4H2s 0.770 1.880 7.759 43.557 23.426 1.859 possible 4804 30 H TYR CG 2 C3H0b 0.770 1.610 3.013 9.918 9.695 1.023 possible 4805 30 H TYR CD1 5 C3H1s 0.770 1.760 17.194 -1.000 20.057 -1.000 bad 4806 30 H TYR CD2 5 C3H1s 0.770 1.760 2.970 20.317 20.578 0.987 [OK] 4807 30 H TYR CE1 5 C3H1s 0.770 1.760 6.981 39.036 20.534 1.901 possible 4808 30 H TYR CE2 5 C3H1s 0.770 1.760 3.021 26.514 20.577 1.289 possible 4809 30 H TYR CZ 2 C3H0b 0.770 1.610 2.793 11.227 9.888 1.135 [OK] 4810 30 H TYR OH 17 O2H1u 0.660 1.460 2.739 20.076 18.541 1.083 [OK] 4811 31 H LEU N 12 N3H1s 0.700 1.640 2.436 11.225 13.517 0.830 [OK] 4812 31 H LEU CA 3 C4H1s 0.770 1.880 3.165 15.558 13.055 1.192 possible 4813 31 H LEU C 1 C3H0s 0.770 1.610 2.601 8.201 8.781 0.934 [OK] 4814 31 H LEU O 16 O1H0u 0.660 1.420 2.706 15.024 15.957 0.942 [OK] 4815 31 H LEU CB 8 C4H2s 0.770 1.880 2.774 21.508 22.818 0.943 [OK] 4816 31 H LEU CG 4 C4H1b 0.770 1.880 2.905 14.238 14.704 0.968 [OK] 4817 31 H LEU CD1 10 C4H3u 0.770 1.880 3.392 38.374 37.235 1.031 possible 4818 31 H LEU CD2 10 C4H3u 0.770 1.880 3.230 38.636 37.020 1.044 possible 4819 32 H GLN N 12 N3H1s 0.700 1.640 2.633 11.951 13.449 0.889 [OK] 4820 32 H GLN CA 3 C4H1s 0.770 1.880 2.894 14.562 13.231 1.101 [OK] 4821 32 H GLN C 1 C3H0s 0.770 1.610 2.508 7.750 8.744 0.886 [OK] 4822 32 H GLN O 16 O1H0u 0.660 1.420 2.468 15.247 15.767 0.967 [OK] 4823 32 H GLN CB 8 C4H2s 0.770 1.880 3.353 26.383 23.059 1.144 possible 4824 32 H GLN CG 8 C4H2s 0.770 1.880 2.960 24.856 23.218 1.071 [OK] 4825 32 H GLN CD 2 C3H0b 0.770 1.610 2.365 9.010 9.618 0.937 [OK] 4826 32 H GLN OE1 16 O1H0u 0.660 1.420 2.846 19.971 16.571 1.205 [OK] 4827 32 H GLN NE2 15 N3H2u 0.700 1.640 2.928 31.933 23.255 1.373 [OK] 4828 33 H THR N 12 N3H1s 0.700 1.640 2.617 12.899 13.544 0.952 [OK] 4829 33 H THR CA 3 C4H1s 0.770 1.880 2.933 14.290 13.025 1.097 [OK] 4830 33 H THR C 1 C3H0s 0.770 1.610 2.537 8.346 8.685 0.961 [OK] 4831 33 H THR O 16 O1H0u 0.660 1.420 2.590 15.390 15.795 0.974 [OK] 4832 33 H THR CB 4 C4H1b 0.770 1.880 3.686 16.840 14.687 1.147 possible 4833 33 H THR OG1 17 O2H1u 0.660 1.460 4.979 41.095 17.610 2.334 possible 4834 33 H THR CG2 10 C4H3u 0.770 1.880 4.027 38.196 36.265 1.053 possible 4835 34 H GLU N 12 N3H1s 0.700 1.640 2.906 13.202 13.461 0.981 [OK] 4836 34 H GLU CA 3 C4H1s 0.770 1.880 2.857 14.530 13.284 1.094 [OK] 4837 34 H GLU C 1 C3H0s 0.770 1.610 2.694 8.888 8.631 1.030 [OK] 4838 34 H GLU O 16 O1H0u 0.660 1.420 2.440 17.207 15.765 1.091 [OK] 4839 34 H GLU CB 8 C4H2s 0.770 1.880 3.212 25.350 23.214 1.092 possible 4840 34 H GLU CG 8 C4H2s 0.770 1.880 3.176 22.605 23.304 0.970 possible 4841 34 H GLU CD 2 C3H0b 0.770 1.610 2.588 9.867 9.437 1.046 [OK] 4842 34 H GLU OE1 16 O1H0u 0.660 1.420 4.861 38.086 15.497 2.458 possible 4843 34 H GLU OE2 16 O1H0u 0.660 1.420 2.378 14.953 16.213 0.922 [OK] 4844 35 H ASN N 12 N3H1s 0.700 1.640 2.486 12.007 13.525 0.888 [OK] 4845 35 H ASN CA 3 C4H1s 0.770 1.880 2.684 14.035 13.052 1.075 [OK] 4846 35 H ASN C 1 C3H0s 0.770 1.610 2.610 10.011 8.853 1.131 [OK] 4847 35 H ASN O 16 O1H0u 0.660 1.420 2.597 21.452 15.857 1.353 [OK] 4848 35 H ASN CB 8 C4H2s 0.770 1.880 2.954 22.399 22.756 0.984 [OK] 4849 35 H ASN CG 2 C3H0b 0.770 1.610 2.563 8.910 9.537 0.934 [OK] 4850 35 H ASN OD1 16 O1H0u 0.660 1.420 2.291 14.544 16.247 0.895 [OK] 4851 35 H ASN ND2 15 N3H2u 0.700 1.640 2.957 26.649 22.525 1.183 [OK] 4852 36 H MET N 12 N3H1s 0.700 1.640 2.341 12.196 13.405 0.910 [OK] 4853 36 H MET CA 3 C4H1s 0.770 1.880 2.808 13.457 13.194 1.020 [OK] 4854 36 H MET C 1 C3H0s 0.770 1.610 2.669 10.319 8.756 1.178 [OK] 4855 36 H MET O 16 O1H0u 0.660 1.420 2.395 17.114 16.002 1.070 [OK] 4856 36 H MET CB 8 C4H2s 0.770 1.880 2.967 23.006 23.418 0.982 [OK] 4857 36 H MET CG 9 C4H2b 0.770 1.880 3.104 25.712 23.830 1.079 possible 4858 36 H MET SD 19 S2H0u 1.040 1.770 3.026 32.946 30.207 1.091 possible 4859 36 H MET CE 10 C4H3u 0.770 1.880 3.625 40.042 37.003 1.082 possible 4860 37 H ARG N 12 N3H1s 0.700 1.640 2.662 15.428 13.486 1.144 [OK] 4861 37 H ARG CA 3 C4H1s 0.770 1.880 2.751 13.475 13.310 1.012 [OK] 4862 37 H ARG C 1 C3H0s 0.770 1.610 2.725 8.977 8.779 1.023 [OK] 4863 37 H ARG O 16 O1H0u 0.660 1.420 2.778 19.955 15.916 1.254 [OK] 4864 37 H ARG CB 8 C4H2s 0.770 1.880 3.209 27.606 22.833 1.209 possible 4865 37 H ARG CG 8 C4H2s 0.770 1.880 2.737 20.415 23.273 0.877 [OK] 4866 37 H ARG CD 8 C4H2s 0.770 1.880 2.923 25.189 22.849 1.102 [OK] 4867 37 H ARG NE 13 N3H1b 0.700 1.640 2.505 13.337 15.019 0.888 [OK] 4868 37 H ARG CZ 2 C3H0b 0.770 1.610 2.344 8.574 9.678 0.886 [OK] 4869 37 H ARG NH1 15 N3H2u 0.700 1.640 4.845 40.378 22.056 1.831 possible 4870 37 H ARG NH2 15 N3H2u 0.700 1.640 2.748 18.387 23.132 0.795 [OK] 4871 38 H GLU N 12 N3H1s 0.700 1.640 2.635 14.368 13.461 1.067 [OK] 4872 38 H GLU CA 3 C4H1s 0.770 1.880 2.902 13.913 13.284 1.047 [OK] 4873 38 H GLU C 1 C3H0s 0.770 1.610 2.675 8.301 8.631 0.962 [OK] 4874 38 H GLU O 16 O1H0u 0.660 1.420 2.738 17.865 15.765 1.133 [OK] 4875 38 H GLU CB 8 C4H2s 0.770 1.880 3.197 26.714 23.214 1.151 possible 4876 38 H GLU CG 8 C4H2s 0.770 1.880 3.182 25.951 23.304 1.114 possible 4877 38 H GLU CD 2 C3H0b 0.770 1.610 2.680 10.836 9.437 1.148 [OK] 4878 38 H GLU OE1 16 O1H0u 0.660 1.420 2.987 18.098 15.497 1.168 [OK] 4879 38 H GLU OE2 16 O1H0u 0.660 1.420 2.745 19.530 16.213 1.205 [OK] 4880 39 H GLY N 12 N3H1s 0.700 1.640 2.421 14.074 14.480 0.972 [OK] 4881 39 H GLY CA 8 C4H2s 0.770 1.880 3.148 21.636 23.470 0.922 possible 4882 39 H GLY C 2 C3H0b 0.770 1.610 2.596 10.159 9.652 1.053 [OK] 4883 39 H GLY O 16 O1H0u 0.660 1.420 2.431 16.997 16.154 1.052 [OK] 4884 40 H TYR N 12 N3H1s 0.700 1.640 2.259 11.339 13.473 0.842 [OK] 4885 40 H TYR CA 3 C4H1s 0.770 1.880 2.828 11.628 13.249 0.878 [OK] 4886 40 H TYR C 1 C3H0s 0.770 1.610 2.625 9.861 8.714 1.132 [OK] 4887 40 H TYR O 16 O1H0u 0.660 1.420 3.281 23.319 15.901 1.467 possible 4888 40 H TYR CB 8 C4H2s 0.770 1.880 2.885 20.095 23.426 0.858 [OK] 4889 40 H TYR CG 2 C3H0b 0.770 1.610 2.641 10.261 9.695 1.058 [OK] 4890 40 H TYR CD1 5 C3H1s 0.770 1.760 2.621 18.518 20.057 0.923 [OK] 4891 40 H TYR CD2 5 C3H1s 0.770 1.760 3.074 22.487 20.578 1.093 possible 4892 40 H TYR CE1 5 C3H1s 0.770 1.760 2.952 21.776 20.534 1.060 [OK] 4893 40 H TYR CE2 5 C3H1s 0.770 1.760 2.918 21.361 20.577 1.038 [OK] 4894 40 H TYR CZ 2 C3H0b 0.770 1.610 2.539 10.025 9.888 1.014 [OK] 4895 40 H TYR OH 17 O2H1u 0.660 1.460 2.636 18.450 18.541 0.995 [OK] 4896 41 H PRO N 11 N3H0u 0.700 1.640 2.455 8.928 8.650 1.032 [OK] 4897 41 H PRO CA 4 C4H1b 0.770 1.880 3.150 13.572 13.828 0.981 possible 4898 41 H PRO C 1 C3H0s 0.770 1.610 2.492 8.560 8.768 0.976 [OK] 4899 41 H PRO O 16 O1H0u 0.660 1.420 2.636 18.046 15.856 1.138 [OK] 4900 41 H PRO CB 9 C4H2b 0.770 1.880 6.657 47.714 25.314 1.885 possible 4901 41 H PRO CG 9 C4H2b 0.770 1.880 19.352 -1.000 25.480 -1.000 bad 4902 41 H PRO CD 8 C4H2s 0.770 1.880 6.949 48.722 23.390 2.083 possible 4903 42 H LEU N 12 N3H1s 0.700 1.640 2.675 13.691 13.517 1.013 [OK] 4904 42 H LEU CA 3 C4H1s 0.770 1.880 2.863 12.921 13.055 0.990 [OK] 4905 42 H LEU C 1 C3H0s 0.770 1.610 2.701 8.724 8.781 0.993 [OK] 4906 42 H LEU O 16 O1H0u 0.660 1.420 2.869 18.458 15.957 1.157 [OK] 4907 42 H LEU CB 8 C4H2s 0.770 1.880 3.074 21.752 22.818 0.953 possible 4908 42 H LEU CG 4 C4H1b 0.770 1.880 2.680 13.022 14.704 0.886 [OK] 4909 42 H LEU CD1 10 C4H3u 0.770 1.880 3.783 51.038 37.235 1.371 possible 4910 42 H LEU CD2 10 C4H3u 0.770 1.880 3.133 36.474 37.020 0.985 possible 4911 43 H GLU N 12 N3H1s 0.700 1.640 2.833 13.432 13.461 0.998 [OK] 4912 43 H GLU CA 3 C4H1s 0.770 1.880 2.328 11.179 13.284 0.842 [OK] 4913 43 H GLU C 1 C3H0s 0.770 1.610 2.477 8.719 8.631 1.010 [OK] 4914 43 H GLU O 16 O1H0u 0.660 1.420 2.624 17.708 15.765 1.123 [OK] 4915 43 H GLU CB 8 C4H2s 0.770 1.880 3.326 24.726 23.214 1.065 possible 4916 43 H GLU CG 8 C4H2s 0.770 1.880 3.530 27.816 23.304 1.194 possible 4917 43 H GLU CD 2 C3H0b 0.770 1.610 2.657 10.566 9.437 1.120 [OK] 4918 43 H GLU OE1 16 O1H0u 0.660 1.420 4.071 34.688 15.497 2.238 possible 4919 43 H GLU OE2 16 O1H0u 0.660 1.420 3.682 26.692 16.213 1.646 possible 4920 44 H ASN N 12 N3H1s 0.700 1.640 2.381 12.025 13.525 0.889 [OK] 4921 44 H ASN CA 3 C4H1s 0.770 1.880 3.001 14.486 13.052 1.110 possible 4922 44 H ASN C 1 C3H0s 0.770 1.610 2.584 9.064 8.853 1.024 [OK] 4923 44 H ASN O 16 O1H0u 0.660 1.420 3.463 20.520 15.857 1.294 possible 4924 44 H ASN CB 8 C4H2s 0.770 1.880 5.700 34.074 22.756 1.497 possible 4925 44 H ASN CG 2 C3H0b 0.770 1.610 6.928 19.516 9.537 2.046 possible 4926 44 H ASN OD1 16 O1H0u 0.660 1.420 19.782 -1.000 16.247 -1.000 bad 4927 44 H ASN ND2 15 N3H2u 0.700 1.640 8.417 -1.000 22.525 -1.000 bad 4928 45 H GLU N 12 N3H1s 0.700 1.640 3.829 15.790 13.461 1.173 possible 4929 45 H GLU CA 3 C4H1s 0.770 1.880 3.407 14.756 13.284 1.111 possible 4930 45 H GLU C 1 C3H0s 0.770 1.610 3.568 9.809 8.631 1.136 possible 4931 45 H GLU O 16 O1H0u 0.660 1.420 4.126 34.143 15.765 2.166 possible 4932 45 H GLU CB 8 C4H2s 0.770 1.880 3.724 32.613 23.214 1.405 possible 4933 45 H GLU CG 8 C4H2s 0.770 1.880 2.901 22.992 23.304 0.987 [OK] 4934 45 H GLU CD 2 C3H0b 0.770 1.610 2.666 9.417 9.437 0.998 [OK] 4935 45 H GLU OE1 16 O1H0u 0.660 1.420 2.697 15.283 15.497 0.986 [OK] 4936 45 H GLU OE2 16 O1H0u 0.660 1.420 2.571 16.663 16.213 1.028 [OK] 4937 46 H ASP N 12 N3H1s 0.700 1.640 3.806 17.536 13.654 1.284 possible 4938 46 H ASP CA 3 C4H1s 0.770 1.880 5.201 24.594 13.254 1.856 possible 4939 46 H ASP C 1 C3H0s 0.770 1.610 4.389 11.668 8.750 1.334 possible 4940 46 H ASP O 16 O1H0u 0.660 1.420 29.377 -1.000 15.757 -1.000 bad 4941 46 H ASP CB 8 C4H2s 0.770 1.880 36.384 -1.000 23.022 -1.000 bad 4942 46 H ASP CG 2 C3H0b 0.770 1.610 3.789 12.147 9.336 1.301 possible 4943 46 H ASP OD1 16 O1H0u 0.660 1.420 2.391 13.319 15.078 0.883 [OK] 4944 46 H ASP OD2 16 O1H0u 0.660 1.420 32.497 -1.000 15.582 -1.000 bad 4945 47 H GLY N 12 N3H1s 0.700 1.640 4.083 15.699 14.480 1.084 possible 4946 47 H GLY CA 8 C4H2s 0.770 1.880 5.368 39.854 23.470 1.698 possible 4947 47 H GLY C 2 C3H0b 0.770 1.610 4.456 11.889 9.652 1.232 possible 4948 47 H GLY O 16 O1H0u 0.660 1.420 9.544 -1.000 16.154 -1.000 bad 4949 48 H THR N 12 N3H1s 0.700 1.640 4.848 17.243 13.544 1.273 possible 4950 48 H THR CA 3 C4H1s 0.770 1.880 5.664 17.559 13.025 1.348 possible 4951 48 H THR C 1 C3H0s 0.770 1.610 2.440 8.174 8.685 0.941 [OK] 4952 48 H THR O 16 O1H0u 0.660 1.420 2.156 12.411 15.795 0.786 [OK] 4953 48 H THR CB 4 C4H1b 0.770 1.880 3.348 11.797 14.687 0.803 possible 4954 48 H THR OG1 17 O2H1u 0.660 1.460 22.662 -1.000 17.610 -1.000 bad 4955 48 H THR CG2 10 C4H3u 0.770 1.880 36.861 -1.000 36.265 -1.000 bad 4956 49 H PRO N 11 N3H0u 0.700 1.640 2.950 8.646 8.650 1.000 [OK] 4957 49 H PRO CA 4 C4H1b 0.770 1.880 3.397 15.803 13.828 1.143 possible 4958 49 H PRO C 1 C3H0s 0.770 1.610 2.593 8.474 8.768 0.966 [OK] 4959 49 H PRO O 16 O1H0u 0.660 1.420 11.181 -1.000 15.856 -1.000 bad 4960 49 H PRO CB 9 C4H2b 0.770 1.880 22.979 -1.000 25.314 -1.000 bad 4961 49 H PRO CG 9 C4H2b 0.770 1.880 39.991 -1.000 25.480 -1.000 bad 4962 49 H PRO CD 8 C4H2s 0.770 1.880 21.085 -1.000 23.390 -1.000 bad 4963 50 H ALA N 12 N3H1s 0.700 1.640 2.836 14.056 13.872 1.013 [OK] 4964 50 H ALA CA 4 C4H1b 0.770 1.880 3.206 14.149 13.959 1.014 possible 4965 50 H ALA C 1 C3H0s 0.770 1.610 2.700 9.070 8.858 1.024 [OK] 4966 50 H ALA O 16 O1H0u 0.660 1.420 6.328 37.709 16.026 2.353 possible 4967 50 H ALA CB 10 C4H3u 0.770 1.880 4.456 47.262 36.551 1.293 possible 4968 51 H ALA N 12 N3H1s 0.700 1.640 4.078 26.518 13.872 1.912 possible 4969 51 H ALA CA 4 C4H1b 0.770 1.880 11.207 -1.000 13.959 -1.000 bad 4970 51 H ALA C 1 C3H0s 0.770 1.610 2.376 8.492 8.858 0.959 [OK] 4971 51 H ALA O 16 O1H0u 0.660 1.420 26.743 -1.000 16.026 -1.000 bad 4972 51 H ALA CB 10 C4H3u 0.770 1.880 50.143 -1.000 36.551 -1.000 bad 4973 52 H ASN N 12 N3H1s 0.700 1.640 3.279 16.192 13.525 1.197 possible 4974 52 H ASN CA 3 C4H1s 0.770 1.880 5.793 21.729 13.052 1.665 possible 4975 52 H ASN C 1 C3H0s 0.770 1.610 2.644 9.123 8.853 1.030 [OK] 4976 52 H ASN O 16 O1H0u 0.660 1.420 3.817 35.212 15.857 2.221 possible 4977 52 H ASN CB 8 C4H2s 0.770 1.880 28.875 -1.000 22.756 -1.000 bad 4978 52 H ASN CG 2 C3H0b 0.770 1.610 6.612 19.085 9.537 2.001 possible 4979 52 H ASN OD1 16 O1H0u 0.660 1.420 34.492 -1.000 16.247 -1.000 bad 4980 52 H ASN ND2 15 N3H2u 0.700 1.640 37.947 -1.000 22.525 -1.000 bad 4981 53 H GLN N 12 N3H1s 0.700 1.640 5.487 28.613 13.449 2.127 possible 4982 53 H GLN CA 3 C4H1s 0.770 1.880 2.596 12.334 13.231 0.932 [OK] 4983 53 H GLN C 1 C3H0s 0.770 1.610 3.165 10.814 8.744 1.237 possible 4984 53 H GLN O 16 O1H0u 0.660 1.420 2.562 18.863 15.767 1.196 [OK] 4985 53 H GLN CB 8 C4H2s 0.770 1.880 7.378 64.879 23.059 2.814 possible 4986 53 H GLN CG 8 C4H2s 0.770 1.880 4.945 39.623 23.218 1.707 possible 4987 53 H GLN CD 2 C3H0b 0.770 1.610 3.823 11.591 9.618 1.205 possible 4988 53 H GLN OE1 16 O1H0u 0.660 1.420 3.206 18.514 16.571 1.117 possible 4989 53 H GLN NE2 15 N3H2u 0.700 1.640 16.563 -1.000 23.255 -1.000 bad 4990 54 H GLY N 12 N3H1s 0.700 1.640 4.452 27.457 14.480 1.896 possible 4991 54 H GLY CA 8 C4H2s 0.770 1.880 6.946 57.294 23.470 2.441 possible 4992 54 H GLY C 2 C3H0b 0.770 1.610 7.341 17.491 9.652 1.812 possible 4993 54 H GLY O 16 O1H0u 0.660 1.420 17.878 -1.000 16.154 -1.000 bad 4994 55 H PRO N 11 N3H0u 0.700 1.640 7.344 11.104 8.650 1.284 possible 4995 55 H PRO CA 4 C4H1b 0.770 1.880 12.755 -1.000 13.828 -1.000 bad 4996 55 H PRO C 1 C3H0s 0.770 1.610 3.006 9.433 8.768 1.076 possible 4997 55 H PRO O 16 O1H0u 0.660 1.420 24.423 -1.000 15.856 -1.000 bad 4998 55 H PRO CB 9 C4H2b 0.770 1.880 37.334 -1.000 25.314 -1.000 bad 4999 55 H PRO CG 9 C4H2b 0.770 1.880 19.517 -1.000 25.480 -1.000 bad 5000 55 H PRO CD 8 C4H2s 0.770 1.880 23.092 -1.000 23.390 -1.000 bad 5001 56 H PHE N 12 N3H1s 0.700 1.640 2.504 12.133 13.524 0.897 [OK] 5002 56 H PHE CA 3 C4H1s 0.770 1.880 2.965 11.797 13.371 0.882 [OK] 5003 56 H PHE C 1 C3H0s 0.770 1.610 3.270 9.378 8.697 1.078 possible 5004 56 H PHE O 16 O1H0u 0.660 1.420 4.779 29.269 15.961 1.834 possible 5005 56 H PHE CB 8 C4H2s 0.770 1.880 2.823 21.359 23.623 0.904 [OK] 5006 56 H PHE CG 2 C3H0b 0.770 1.610 2.690 9.682 9.684 1.000 [OK] 5007 56 H PHE CD1 5 C3H1s 0.770 1.760 3.452 21.444 20.325 1.055 possible 5008 56 H PHE CD2 6 C3H1b 0.770 1.760 3.040 21.212 20.948 1.013 possible 5009 56 H PHE CE1 6 C3H1b 0.770 1.760 5.209 30.060 21.532 1.396 possible 5010 56 H PHE CE2 6 C3H1b 0.770 1.760 5.343 28.972 21.625 1.340 possible 5011 56 H PHE CZ 6 C3H1b 0.770 1.760 15.584 -1.000 21.555 -1.000 bad 5012 57 H PRO N 11 N3H0u 0.700 1.640 3.995 11.162 8.650 1.290 possible 5013 57 H PRO CA 4 C4H1b 0.770 1.880 6.635 28.810 13.828 2.083 possible 5014 57 H PRO C 1 C3H0s 0.770 1.610 2.518 8.762 8.768 0.999 [OK] 5015 57 H PRO O 16 O1H0u 0.660 1.420 2.695 17.802 15.856 1.123 [OK] 5016 57 H PRO CB 9 C4H2b 0.770 1.880 28.697 -1.000 25.314 -1.000 bad 5017 57 H PRO CG 9 C4H2b 0.770 1.880 7.173 52.743 25.480 2.070 possible 5018 57 H PRO CD 8 C4H2s 0.770 1.880 5.634 29.217 23.390 1.249 possible 5019 58 H LEU N 12 N3H1s 0.700 1.640 3.407 16.817 13.517 1.244 possible 5020 58 H LEU CA 3 C4H1s 0.770 1.880 2.697 11.537 13.055 0.884 [OK] 5021 58 H LEU C 1 C3H0s 0.770 1.610 2.747 8.952 8.781 1.019 [OK] 5022 58 H LEU O 16 O1H0u 0.660 1.420 5.443 45.980 15.957 2.881 possible 5023 58 H LEU CB 8 C4H2s 0.770 1.880 5.770 36.507 22.818 1.600 possible 5024 58 H LEU CG 4 C4H1b 0.770 1.880 4.151 23.957 14.704 1.629 possible 5025 58 H LEU CD1 10 C4H3u 0.770 1.880 30.349 -1.000 37.235 -1.000 bad 5026 58 H LEU CD2 10 C4H3u 0.770 1.880 3.491 38.349 37.020 1.036 possible 5027 59 H PRO N 11 N3H0u 0.700 1.640 2.702 8.794 8.650 1.017 [OK] 5028 59 H PRO CA 4 C4H1b 0.770 1.880 4.782 23.672 13.828 1.712 possible 5029 59 H PRO C 1 C3H0s 0.770 1.610 3.289 9.136 8.768 1.042 possible 5030 59 H PRO O 16 O1H0u 0.660 1.420 5.046 25.439 15.856 1.604 possible 5031 59 H PRO CB 9 C4H2b 0.770 1.880 5.103 38.448 25.314 1.519 possible 5032 59 H PRO CG 9 C4H2b 0.770 1.880 2.794 21.991 25.480 0.863 [OK] 5033 59 H PRO CD 8 C4H2s 0.770 1.880 2.908 25.834 23.390 1.104 [OK] 5034 60 H LYS N 12 N3H1s 0.700 1.640 4.983 24.799 13.429 1.847 possible 5035 60 H LYS CA 3 C4H1s 0.770 1.880 5.900 18.497 13.217 1.399 possible 5036 60 H LYS C 1 C3H0s 0.770 1.610 3.031 9.254 8.696 1.064 possible 5037 60 H LYS O 16 O1H0u 0.660 1.420 6.418 47.876 15.818 3.027 possible 5038 60 H LYS CB 8 C4H2s 0.770 1.880 6.476 58.444 22.578 2.589 possible 5039 60 H LYS CG 8 C4H2s 0.770 1.880 21.820 -1.000 22.847 -1.000 bad 5040 60 H LYS CD 8 C4H2s 0.770 1.880 32.279 -1.000 23.365 -1.000 bad 5041 60 H LYS CE 9 C4H2b 0.770 1.880 38.372 -1.000 23.720 -1.000 bad 5042 60 H LYS NZ 14 N4H3u 0.700 1.640 58.203 -1.000 21.413 -1.000 bad 5043 61 H PRO N 11 N3H0u 0.700 1.640 2.994 8.646 8.650 0.999 [OK] 5044 61 H PRO CA 4 C4H1b 0.770 1.880 2.356 11.269 13.828 0.815 [OK] 5045 61 H PRO C 1 C3H0s 0.770 1.610 2.601 8.987 8.768 1.025 [OK] 5046 61 H PRO O 16 O1H0u 0.660 1.420 5.072 30.950 15.856 1.952 possible 5047 61 H PRO CB 9 C4H2b 0.770 1.880 5.633 36.618 25.314 1.447 possible 5048 61 H PRO CG 9 C4H2b 0.770 1.880 30.309 -1.000 25.480 -1.000 bad 5049 61 H PRO CD 8 C4H2s 0.770 1.880 23.074 -1.000 23.390 -1.000 bad 5050 62 H LYS N 12 N3H1s 0.700 1.640 2.767 13.080 13.429 0.974 [OK] 5051 62 H LYS CA 3 C4H1s 0.770 1.880 4.967 19.129 13.217 1.447 possible 5052 62 H LYS C 1 C3H0s 0.770 1.610 2.913 9.288 8.696 1.068 [OK] 5053 62 H LYS O 16 O1H0u 0.660 1.420 2.459 14.717 15.818 0.930 [OK] 5054 62 H LYS CB 8 C4H2s 0.770 1.880 15.261 -1.000 22.578 -1.000 bad 5055 62 H LYS CG 8 C4H2s 0.770 1.880 3.170 22.328 22.847 0.977 possible 5056 62 H LYS CD 8 C4H2s 0.770 1.880 2.899 24.152 23.365 1.034 [OK] 5057 62 H LYS CE 9 C4H2b 0.770 1.880 7.416 55.714 23.720 2.349 possible 5058 62 H LYS NZ 14 N4H3u 0.700 1.640 3.151 21.546 21.413 1.006 possible 5059 63 H THR N 12 N3H1s 0.700 1.640 5.691 31.404 13.544 2.319 possible 5060 63 H THR CA 3 C4H1s 0.770 1.880 2.579 11.049 13.025 0.848 [OK] 5061 63 H THR C 1 C3H0s 0.770 1.610 2.800 9.546 8.685 1.099 [OK] 5062 63 H THR O 16 O1H0u 0.660 1.420 6.464 70.369 15.795 4.455 possible 5063 63 H THR CB 4 C4H1b 0.770 1.880 14.911 -1.000 14.687 -1.000 bad 5064 63 H THR OG1 17 O2H1u 0.660 1.460 14.621 -1.000 17.610 -1.000 bad 5065 63 H THR CG2 10 C4H3u 0.770 1.880 14.788 -1.000 36.265 -1.000 bad 5066 64 H PHE N 12 N3H1s 0.700 1.640 2.508 11.468 13.524 0.848 [OK] 5067 64 H PHE CA 3 C4H1s 0.770 1.880 3.000 14.364 13.371 1.074 possible 5068 64 H PHE C 1 C3H0s 0.770 1.610 2.568 8.576 8.697 0.986 [OK] 5069 64 H PHE O 16 O1H0u 0.660 1.420 2.387 14.608 15.961 0.915 [OK] 5070 64 H PHE CB 8 C4H2s 0.770 1.880 3.051 23.894 23.623 1.011 possible 5071 64 H PHE CG 2 C3H0b 0.770 1.610 2.861 10.808 9.684 1.116 [OK] 5072 64 H PHE CD1 5 C3H1s 0.770 1.760 3.122 19.232 20.325 0.946 possible 5073 64 H PHE CD2 6 C3H1b 0.770 1.760 2.919 22.535 20.948 1.076 [OK] 5074 64 H PHE CE1 6 C3H1b 0.770 1.760 2.866 22.738 21.532 1.056 [OK] 5075 64 H PHE CE2 6 C3H1b 0.770 1.760 2.768 20.849 21.625 0.964 [OK] 5076 64 H PHE CZ 6 C3H1b 0.770 1.760 2.826 18.475 21.555 0.857 [OK] 5077 65 H ILE N 12 N3H1s 0.700 1.640 3.382 21.005 13.493 1.557 possible 5078 65 H ILE CA 3 C4H1s 0.770 1.880 2.948 14.237 12.946 1.100 [OK] 5079 65 H ILE C 1 C3H0s 0.770 1.610 2.533 8.469 8.445 1.003 [OK] 5080 65 H ILE O 16 O1H0u 0.660 1.420 2.608 16.689 15.930 1.048 [OK] 5081 65 H ILE CB 4 C4H1b 0.770 1.880 3.106 14.104 14.146 0.997 possible 5082 65 H ILE CG1 9 C4H2b 0.770 1.880 4.983 44.524 24.071 1.850 possible 5083 65 H ILE CG2 10 C4H3u 0.770 1.880 20.257 -1.000 35.763 -1.000 bad 5084 65 H ILE CD1 10 C4H3u 0.770 1.880 26.835 -1.000 38.219 -1.000 bad 5085 66 H LEU N 12 N3H1s 0.700 1.640 2.472 12.671 13.517 0.937 [OK] 5086 66 H LEU CA 3 C4H1s 0.770 1.880 3.231 14.739 13.055 1.129 possible 5087 66 H LEU C 1 C3H0s 0.770 1.610 2.411 9.361 8.781 1.066 [OK] 5088 66 H LEU O 16 O1H0u 0.660 1.420 3.013 22.750 15.957 1.426 possible 5089 66 H LEU CB 8 C4H2s 0.770 1.880 3.470 24.446 22.818 1.071 possible 5090 66 H LEU CG 4 C4H1b 0.770 1.880 2.796 14.581 14.704 0.992 [OK] 5091 66 H LEU CD1 10 C4H3u 0.770 1.880 3.390 40.716 37.235 1.093 possible 5092 66 H LEU CD2 10 C4H3u 0.770 1.880 3.254 34.218 37.020 0.924 possible 5093 67 H PRO N 11 N3H0u 0.700 1.640 2.728 9.085 8.650 1.050 [OK] 5094 67 H PRO CA 4 C4H1b 0.770 1.880 2.897 13.681 13.828 0.989 [OK] 5095 67 H PRO C 1 C3H0s 0.770 1.610 2.720 9.806 8.768 1.118 [OK] 5096 67 H PRO O 16 O1H0u 0.660 1.420 4.275 -1.000 15.856 -1.000 bad 5097 67 H PRO CB 9 C4H2b 0.770 1.880 2.990 24.842 25.314 0.981 [OK] 5098 67 H PRO CG 9 C4H2b 0.770 1.880 3.402 29.458 25.480 1.156 possible 5099 67 H PRO CD 8 C4H2s 0.770 1.880 3.355 29.291 23.390 1.252 possible 5100 68 H HIS N 12 N3H1s 0.700 1.640 2.894 15.327 13.532 1.133 [OK] 5101 68 H HIS CA 3 C4H1s 0.770 1.880 6.916 -1.000 13.335 -1.000 bad 5102 68 H HIS C 1 C3H0s 0.770 1.610 1.851 -1.000 8.760 -1.000 bad 5103 68 H HIS O 16 O1H0u 0.660 1.420 21.367 -1.000 15.855 -1.000 bad 5104 68 H HIS CB 8 C4H2s 0.770 1.880 7.574 49.366 23.443 2.106 possible 5105 68 H HIS CG 2 C3H0b 0.770 1.610 3.094 10.367 9.870 1.050 possible 5106 68 H HIS ND1 13 N3H1b 0.700 1.640 11.900 -1.000 15.483 -1.000 bad 5107 68 H HIS CD2 5 C3H1s 0.770 1.760 3.170 22.747 20.938 1.086 possible 5108 68 H HIS CE1 5 C3H1s 0.770 1.760 4.703 33.581 20.491 1.639 possible 5109 68 H HIS NE2 13 N3H1b 0.700 1.640 3.195 20.887 15.758 1.325 possible 5110 69 H GLY N 12 N3H1s 0.700 1.640 5.326 -1.000 14.480 -1.000 bad 5111 69 H GLY CA 8 C4H2s 0.770 1.880 32.639 -1.000 23.470 -1.000 bad 5112 69 H GLY C 2 C3H0b 0.770 1.610 3.038 9.775 9.652 1.013 possible 5113 69 H GLY O 16 O1H0u 0.660 1.420 31.428 -1.000 16.154 -1.000 bad 5114 70 H ARG N 12 N3H1s 0.700 1.640 2.705 14.179 13.486 1.051 [OK] 5115 70 H ARG CA 3 C4H1s 0.770 1.880 5.067 21.225 13.310 1.595 possible 5116 70 H ARG C 1 C3H0s 0.770 1.610 3.625 10.820 8.779 1.232 possible 5117 70 H ARG O 16 O1H0u 0.660 1.420 7.493 -1.000 15.916 -1.000 bad 5118 70 H ARG CB 8 C4H2s 0.770 1.880 3.032 26.068 22.833 1.142 possible 5119 70 H ARG CG 8 C4H2s 0.770 1.880 5.594 33.976 23.273 1.460 possible 5120 70 H ARG CD 8 C4H2s 0.770 1.880 6.029 43.128 22.849 1.888 possible 5121 70 H ARG NE 13 N3H1b 0.700 1.640 2.894 17.059 15.019 1.136 [OK] 5122 70 H ARG CZ 2 C3H0b 0.770 1.610 2.412 9.105 9.678 0.941 [OK] 5123 70 H ARG NH1 15 N3H2u 0.700 1.640 4.244 26.322 22.056 1.193 possible 5124 70 H ARG NH2 15 N3H2u 0.700 1.640 2.784 24.091 23.132 1.041 [OK] 5125 71 H GLY N 12 N3H1s 0.700 1.640 2.867 14.326 14.480 0.989 [OK] 5126 71 H GLY CA 8 C4H2s 0.770 1.880 27.449 -1.000 23.470 -1.000 bad 5127 71 H GLY C 2 C3H0b 0.770 1.610 4.370 12.535 9.652 1.299 possible 5128 71 H GLY O 16 O1H0u 0.660 1.420 3.279 19.144 16.154 1.185 possible 5129 72 H THR N 12 N3H1s 0.700 1.640 4.139 -1.000 13.544 -1.000 bad 5130 72 H THR CA 3 C4H1s 0.770 1.880 2.543 12.551 13.025 0.964 [OK] 5131 72 H THR C 1 C3H0s 0.770 1.610 2.471 8.461 8.685 0.974 [OK] 5132 72 H THR O 16 O1H0u 0.660 1.420 5.445 -1.000 15.795 -1.000 bad 5133 72 H THR CB 4 C4H1b 0.770 1.880 13.938 -1.000 14.687 -1.000 bad 5134 72 H THR OG1 17 O2H1u 0.660 1.460 15.192 -1.000 17.610 -1.000 bad 5135 72 H THR CG2 10 C4H3u 0.770 1.880 24.901 -1.000 36.265 -1.000 bad 5136 73 H LEU N 12 N3H1s 0.700 1.640 2.380 12.854 13.517 0.951 [OK] 5137 73 H LEU CA 3 C4H1s 0.770 1.880 2.954 12.742 13.055 0.976 [OK] 5138 73 H LEU C 1 C3H0s 0.770 1.610 2.427 8.138 8.781 0.927 [OK] 5139 73 H LEU O 16 O1H0u 0.660 1.420 2.380 13.717 15.957 0.860 [OK] 5140 73 H LEU CB 8 C4H2s 0.770 1.880 2.947 24.475 22.818 1.073 [OK] 5141 73 H LEU CG 4 C4H1b 0.770 1.880 2.818 14.008 14.704 0.953 [OK] 5142 73 H LEU CD1 10 C4H3u 0.770 1.880 5.798 71.913 37.235 1.931 possible 5143 73 H LEU CD2 10 C4H3u 0.770 1.880 3.103 38.630 37.020 1.044 possible 5144 74 H THR N 12 N3H1s 0.700 1.640 2.700 13.450 13.544 0.993 [OK] 5145 74 H THR CA 3 C4H1s 0.770 1.880 2.534 11.025 13.025 0.846 [OK] 5146 74 H THR C 1 C3H0s 0.770 1.610 2.486 8.297 8.685 0.955 [OK] 5147 74 H THR O 16 O1H0u 0.660 1.420 4.074 26.013 15.795 1.647 possible 5148 74 H THR CB 4 C4H1b 0.770 1.880 3.628 16.202 14.687 1.103 possible 5149 74 H THR OG1 17 O2H1u 0.660 1.460 8.264 -1.000 17.610 -1.000 bad 5150 74 H THR CG2 10 C4H3u 0.770 1.880 14.908 -1.000 36.265 -1.000 bad 5151 75 H VAL N 12 N3H1s 0.700 1.640 2.701 13.101 13.553 0.967 [OK] 5152 75 H VAL CA 3 C4H1s 0.770 1.880 2.505 10.926 13.078 0.835 [OK] 5153 75 H VAL C 1 C3H0s 0.770 1.610 2.477 9.254 8.528 1.085 [OK] 5154 75 H VAL O 16 O1H0u 0.660 1.420 2.214 13.172 15.998 0.823 [OK] 5155 75 H VAL CB 4 C4H1b 0.770 1.880 3.053 14.066 14.514 0.969 possible 5156 75 H VAL CG1 10 C4H3u 0.770 1.880 3.589 44.735 36.320 1.232 possible 5157 75 H VAL CG2 10 C4H3u 0.770 1.880 3.038 35.979 36.173 0.995 possible 5158 76 H PRO N 11 N3H0u 0.700 1.640 2.266 8.671 8.650 1.002 [OK] 5159 76 H PRO CA 4 C4H1b 0.770 1.880 2.860 13.043 13.828 0.943 [OK] 5160 76 H PRO C 1 C3H0s 0.770 1.610 3.649 9.125 8.768 1.041 possible 5161 76 H PRO O 16 O1H0u 0.660 1.420 5.859 34.195 15.856 2.157 possible 5162 76 H PRO CB 9 C4H2b 0.770 1.880 3.915 34.890 25.314 1.378 possible 5163 76 H PRO CG 9 C4H2b 0.770 1.880 4.586 34.460 25.480 1.352 possible 5164 76 H PRO CD 8 C4H2s 0.770 1.880 2.672 20.514 23.390 0.877 [OK] 5165 77 H GLY N 12 N3H1s 0.700 1.640 3.682 22.336 14.480 1.543 possible 5166 77 H GLY CA 8 C4H2s 0.770 1.880 5.325 35.187 23.470 1.499 possible 5167 77 H GLY C 2 C3H0b 0.770 1.610 4.807 17.715 9.652 1.835 possible 5168 77 H GLY O 16 O1H0u 0.660 1.420 4.035 31.164 16.154 1.929 possible 5169 78 H PRO N 11 N3H0u 0.700 1.640 5.251 14.584 8.650 1.686 possible 5170 78 H PRO CA 4 C4H1b 0.770 1.880 4.980 21.111 13.828 1.527 possible 5171 78 H PRO C 1 C3H0s 0.770 1.610 2.996 10.017 8.768 1.142 [OK] 5172 78 H PRO O 16 O1H0u 0.660 1.420 5.894 77.815 15.856 4.908 possible 5173 78 H PRO CB 9 C4H2b 0.770 1.880 34.424 -1.000 25.314 -1.000 bad 5174 78 H PRO CG 9 C4H2b 0.770 1.880 34.360 -1.000 25.480 -1.000 bad 5175 78 H PRO CD 8 C4H2s 0.770 1.880 19.948 -1.000 23.390 -1.000 bad 5176 79 H GLU N 12 N3H1s 0.700 1.640 2.997 15.103 13.461 1.122 [OK] 5177 79 H GLU CA 3 C4H1s 0.770 1.880 4.336 17.526 13.284 1.319 possible 5178 79 H GLU C 1 C3H0s 0.770 1.610 2.708 9.505 8.631 1.101 [OK] 5179 79 H GLU O 16 O1H0u 0.660 1.420 7.205 50.206 15.765 3.185 possible 5180 79 H GLU CB 8 C4H2s 0.770 1.880 3.180 22.822 23.214 0.983 possible 5181 79 H GLU CG 8 C4H2s 0.770 1.880 3.178 26.180 23.304 1.123 possible 5182 79 H GLU CD 2 C3H0b 0.770 1.610 2.987 10.306 9.437 1.092 [OK] 5183 79 H GLU OE1 16 O1H0u 0.660 1.420 4.013 21.690 15.497 1.400 possible 5184 79 H GLU OE2 16 O1H0u 0.660 1.420 2.712 21.689 16.213 1.338 [OK] 5185 80 H SER N 12 N3H1s 0.700 1.640 4.492 23.003 13.808 1.666 possible 5186 80 H SER CA 3 C4H1s 0.770 1.880 3.353 15.356 13.351 1.150 possible 5187 80 H SER C 1 C3H0s 0.770 1.610 2.460 8.921 8.858 1.007 [OK] 5188 80 H SER O 16 O1H0u 0.660 1.420 4.672 41.424 15.860 2.612 possible 5189 80 H SER CB 8 C4H2s 0.770 1.880 7.635 47.004 23.599 1.992 possible 5190 80 H SER OG 17 O2H1u 0.660 1.460 20.045 -1.000 18.021 -1.000 bad 5191 81 H GLU N 12 N3H1s 0.700 1.640 3.650 18.639 13.461 1.385 possible 5192 81 H GLU CA 3 C4H1s 0.770 1.880 2.956 14.611 13.284 1.100 [OK] 5193 81 H GLU C 1 C3H0s 0.770 1.610 2.302 8.228 8.631 0.953 [OK] 5194 81 H GLU O 16 O1H0u 0.660 1.420 3.459 17.829 15.765 1.131 possible 5195 81 H GLU CB 8 C4H2s 0.770 1.880 4.014 29.319 23.214 1.263 possible 5196 81 H GLU CG 8 C4H2s 0.770 1.880 4.759 40.576 23.304 1.741 possible 5197 81 H GLU CD 2 C3H0b 0.770 1.610 2.681 9.243 9.437 0.979 [OK] 5198 81 H GLU OE1 16 O1H0u 0.660 1.420 2.609 17.236 15.497 1.112 [OK] 5199 81 H GLU OE2 16 O1H0u 0.660 1.420 2.934 16.636 16.213 1.026 [OK] 5200 82 H ASP N 12 N3H1s 0.700 1.640 3.364 16.732 13.654 1.225 possible 5201 82 H ASP CA 3 C4H1s 0.770 1.880 3.281 13.016 13.254 0.982 possible 5202 82 H ASP C 1 C3H0s 0.770 1.610 3.067 9.931 8.750 1.135 possible 5203 82 H ASP O 16 O1H0u 0.660 1.420 20.959 -1.000 15.757 -1.000 bad 5204 82 H ASP CB 8 C4H2s 0.770 1.880 21.953 -1.000 23.022 -1.000 bad 5205 82 H ASP CG 2 C3H0b 0.770 1.610 3.924 -1.000 9.336 -1.000 bad 5206 82 H ASP OD1 16 O1H0u 0.660 1.420 11.926 -1.000 15.078 -1.000 bad 5207 82 H ASP OD2 16 O1H0u 0.660 1.420 35.213 -1.000 15.582 -1.000 bad 5208 83 H ARG N 12 N3H1s 0.700 1.640 2.722 12.588 13.486 0.933 [OK] 5209 83 H ARG CA 3 C4H1s 0.770 1.880 4.090 16.966 13.310 1.275 possible 5210 83 H ARG C 1 C3H0s 0.770 1.610 2.546 9.174 8.779 1.045 [OK] 5211 83 H ARG O 16 O1H0u 0.660 1.420 2.355 14.655 15.916 0.921 [OK] 5212 83 H ARG CB 8 C4H2s 0.770 1.880 4.642 28.395 22.833 1.244 possible 5213 83 H ARG CG 8 C4H2s 0.770 1.880 2.918 23.457 23.273 1.008 [OK] 5214 83 H ARG CD 8 C4H2s 0.770 1.880 3.171 25.058 22.849 1.097 possible 5215 83 H ARG NE 13 N3H1b 0.700 1.640 3.368 16.819 15.019 1.120 possible 5216 83 H ARG CZ 2 C3H0b 0.770 1.610 2.766 9.850 9.678 1.018 [OK] 5217 83 H ARG NH1 15 N3H2u 0.700 1.640 2.795 22.895 22.056 1.038 [OK] 5218 83 H ARG NH2 15 N3H2u 0.700 1.640 3.592 29.342 23.132 1.268 possible 5219 84 H PRO N 11 N3H0u 0.700 1.640 3.304 10.662 8.650 1.233 possible 5220 84 H PRO CA 4 C4H1b 0.770 1.880 6.578 26.288 13.828 1.901 possible 5221 84 H PRO C 1 C3H0s 0.770 1.610 2.988 8.659 8.768 0.988 [OK] 5222 84 H PRO O 16 O1H0u 0.660 1.420 3.444 24.441 15.856 1.541 possible 5223 84 H PRO CB 9 C4H2b 0.770 1.880 38.070 -1.000 25.314 -1.000 bad 5224 84 H PRO CG 9 C4H2b 0.770 1.880 37.523 -1.000 25.480 -1.000 bad 5225 84 H PRO CD 8 C4H2s 0.770 1.880 23.850 -1.000 23.390 -1.000 bad 5226 85 H ILE N 12 N3H1s 0.700 1.640 5.499 26.742 13.493 1.982 possible 5227 85 H ILE CA 3 C4H1s 0.770 1.880 2.916 12.642 12.946 0.977 [OK] 5228 85 H ILE C 1 C3H0s 0.770 1.610 3.213 9.342 8.445 1.106 possible 5229 85 H ILE O 16 O1H0u 0.660 1.420 22.935 -1.000 15.930 -1.000 bad 5230 85 H ILE CB 4 C4H1b 0.770 1.880 5.686 29.573 14.146 2.091 possible 5231 85 H ILE CG1 9 C4H2b 0.770 1.880 5.758 52.435 24.071 2.178 possible 5232 85 H ILE CG2 10 C4H3u 0.770 1.880 3.592 37.877 35.763 1.059 possible 5233 85 H ILE CD1 10 C4H3u 0.770 1.880 3.142 38.080 38.219 0.996 possible 5234 86 H ALA N 12 N3H1s 0.700 1.640 3.377 20.443 13.872 1.474 possible 5235 86 H ALA CA 4 C4H1b 0.770 1.880 5.820 23.122 13.959 1.656 possible 5236 86 H ALA C 1 C3H0s 0.770 1.610 2.758 9.274 8.858 1.047 [OK] 5237 86 H ALA O 16 O1H0u 0.660 1.420 2.756 16.874 16.026 1.053 [OK] 5238 86 H ALA CB 10 C4H3u 0.770 1.880 21.704 -1.000 36.551 -1.000 bad 5239 87 H LEU N 12 N3H1s 0.700 1.640 3.949 17.759 13.517 1.314 possible 5240 87 H LEU CA 3 C4H1s 0.770 1.880 2.487 11.510 13.055 0.882 [OK] 5241 87 H LEU C 1 C3H0s 0.770 1.610 2.499 9.227 8.781 1.051 [OK] 5242 87 H LEU O 16 O1H0u 0.660 1.420 13.312 -1.000 15.957 -1.000 bad 5243 87 H LEU CB 8 C4H2s 0.770 1.880 3.338 24.641 22.818 1.080 possible 5244 87 H LEU CG 4 C4H1b 0.770 1.880 2.528 12.690 14.704 0.863 [OK] 5245 87 H LEU CD1 10 C4H3u 0.770 1.880 3.237 33.047 37.235 0.888 possible 5246 87 H LEU CD2 10 C4H3u 0.770 1.880 2.897 31.487 37.020 0.851 [OK] 5247 88 H ALA N 12 N3H1s 0.700 1.640 2.603 11.936 13.872 0.860 [OK] 5248 88 H ALA CA 4 C4H1b 0.770 1.880 5.811 -1.000 13.959 -1.000 bad 5249 88 H ALA C 1 C3H0s 0.770 1.610 2.512 9.172 8.858 1.035 [OK] 5250 88 H ALA O 16 O1H0u 0.660 1.420 2.858 15.385 16.026 0.960 [OK] 5251 88 H ALA CB 10 C4H3u 0.770 1.880 40.804 -1.000 36.551 -1.000 bad 5252 89 H ARG N 12 N3H1s 0.700 1.640 7.578 33.440 13.486 2.480 possible 5253 89 H ARG CA 3 C4H1s 0.770 1.880 2.606 13.188 13.310 0.991 [OK] 5254 89 H ARG C 1 C3H0s 0.770 1.610 3.020 8.998 8.779 1.025 possible 5255 89 H ARG O 16 O1H0u 0.660 1.420 20.585 -1.000 15.916 -1.000 bad 5256 89 H ARG CB 8 C4H2s 0.770 1.880 18.512 -1.000 22.833 -1.000 bad 5257 89 H ARG CG 8 C4H2s 0.770 1.880 3.214 22.583 23.273 0.970 possible 5258 89 H ARG CD 8 C4H2s 0.770 1.880 21.610 -1.000 22.849 -1.000 bad 5259 89 H ARG NE 13 N3H1b 0.700 1.640 3.780 21.685 15.019 1.444 possible 5260 89 H ARG CZ 2 C3H0b 0.770 1.610 3.809 13.997 9.678 1.446 possible 5261 89 H ARG NH1 15 N3H2u 0.700 1.640 27.957 -1.000 22.056 -1.000 bad 5262 89 H ARG NH2 15 N3H2u 0.700 1.640 7.497 66.299 23.132 2.866 possible 5263 90 H THR N 12 N3H1s 0.700 1.640 2.396 12.976 13.544 0.958 [OK] 5264 90 H THR CA 3 C4H1s 0.770 1.880 8.147 -1.000 13.025 -1.000 bad 5265 90 H THR C 1 C3H0s 0.770 1.610 5.638 13.365 8.685 1.539 possible 5266 90 H THR O 16 O1H0u 0.660 1.420 28.219 -1.000 15.795 -1.000 bad 5267 90 H THR CB 4 C4H1b 0.770 1.880 14.730 -1.000 14.687 -1.000 bad 5268 90 H THR OG1 17 O2H1u 0.660 1.460 4.195 32.745 17.610 1.859 possible 5269 90 H THR CG2 10 C4H3u 0.770 1.880 13.066 -1.000 36.265 -1.000 bad 5270 91 H ALA N 12 N3H1s 0.700 1.640 5.598 20.517 13.872 1.479 possible 5271 91 H ALA CA 4 C4H1b 0.770 1.880 5.868 26.108 13.959 1.870 possible 5272 91 H ALA C 1 C3H0s 0.770 1.610 4.931 12.851 8.858 1.451 possible 5273 91 H ALA O 16 O1H0u 0.660 1.420 9.023 -1.000 16.026 -1.000 bad 5274 91 H ALA CB 10 C4H3u 0.770 1.880 11.354 -1.000 36.551 -1.000 bad 5275 92 H VAL N 12 N3H1s 0.700 1.640 5.089 19.676 13.553 1.452 possible 5276 92 H VAL CA 3 C4H1s 0.770 1.880 4.891 18.899 13.078 1.445 possible 5277 92 H VAL C 1 C3H0s 0.770 1.610 2.484 9.027 8.528 1.059 [OK] 5278 92 H VAL O 16 O1H0u 0.660 1.420 15.029 -1.000 15.998 -1.000 bad 5279 92 H VAL CB 4 C4H1b 0.770 1.880 8.438 -1.000 14.514 -1.000 bad 5280 92 H VAL CG1 10 C4H3u 0.770 1.880 53.192 -1.000 36.320 -1.000 bad 5281 92 H VAL CG2 10 C4H3u 0.770 1.880 61.699 -1.000 36.173 -1.000 bad 5282 93 H SER N 12 N3H1s 0.700 1.640 2.714 14.546 13.808 1.053 [OK] 5283 93 H SER CA 3 C4H1s 0.770 1.880 6.024 18.758 13.351 1.405 possible 5284 93 H SER C 1 C3H0s 0.770 1.610 2.386 8.588 8.858 0.970 [OK] 5285 93 H SER O 16 O1H0u 0.660 1.420 2.596 17.323 15.860 1.092 [OK] 5286 93 H SER CB 8 C4H2s 0.770 1.880 35.644 -1.000 23.599 -1.000 bad 5287 93 H SER OG 17 O2H1u 0.660 1.460 18.948 -1.000 18.021 -1.000 bad 5288 94 H GLU N 12 N3H1s 0.700 1.640 5.630 26.983 13.461 2.005 possible 5289 94 H GLU CA 3 C4H1s 0.770 1.880 2.623 12.814 13.284 0.965 [OK] 5290 94 H GLU C 1 C3H0s 0.770 1.610 2.957 8.300 8.631 0.962 [OK] 5291 94 H GLU O 16 O1H0u 0.660 1.420 7.191 59.570 15.765 3.779 possible 5292 94 H GLU CB 8 C4H2s 0.770 1.880 19.983 -1.000 23.214 -1.000 bad 5293 94 H GLU CG 8 C4H2s 0.770 1.880 30.357 -1.000 23.304 -1.000 bad 5294 94 H GLU CD 2 C3H0b 0.770 1.610 4.381 12.859 9.437 1.363 possible 5295 94 H GLU OE1 16 O1H0u 0.660 1.420 3.896 24.378 15.497 1.573 possible 5296 94 H GLU OE2 16 O1H0u 0.660 1.420 4.871 30.844 16.213 1.902 possible 5297 95 H GLY N 12 N3H1s 0.700 1.640 2.642 13.441 14.480 0.928 [OK] 5298 95 H GLY CA 8 C4H2s 0.770 1.880 3.471 26.186 23.470 1.116 possible 5299 95 H GLY C 2 C3H0b 0.770 1.610 2.832 9.712 9.652 1.006 [OK] 5300 95 H GLY O 16 O1H0u 0.660 1.420 2.803 16.709 16.154 1.034 [OK] 5301 96 H PHE N 12 N3H1s 0.700 1.640 2.405 11.435 13.524 0.846 [OK] 5302 96 H PHE CA 3 C4H1s 0.770 1.880 2.621 11.054 13.371 0.827 [OK] 5303 96 H PHE C 1 C3H0s 0.770 1.610 2.428 8.878 8.697 1.021 [OK] 5304 96 H PHE O 16 O1H0u 0.660 1.420 2.425 14.353 15.961 0.899 [OK] 5305 96 H PHE CB 8 C4H2s 0.770 1.880 2.975 21.696 23.623 0.918 [OK] 5306 96 H PHE CG 2 C3H0b 0.770 1.610 2.507 9.032 9.684 0.933 [OK] 5307 96 H PHE CD1 5 C3H1s 0.770 1.760 2.635 18.435 20.325 0.907 [OK] 5308 96 H PHE CD2 6 C3H1b 0.770 1.760 4.969 41.248 20.948 1.969 possible 5309 96 H PHE CE1 6 C3H1b 0.770 1.760 6.954 47.696 21.532 2.215 possible 5310 96 H PHE CE2 6 C3H1b 0.770 1.760 21.469 -1.000 21.625 -1.000 bad 5311 96 H PHE CZ 6 C3H1b 0.770 1.760 27.368 -1.000 21.555 -1.000 bad 5312 97 H PRO N 11 N3H0u 0.700 1.640 2.417 8.289 8.650 0.958 [OK] 5313 97 H PRO CA 4 C4H1b 0.770 1.880 2.884 14.556 13.828 1.053 [OK] 5314 97 H PRO C 1 C3H0s 0.770 1.610 2.606 8.842 8.768 1.008 [OK] 5315 97 H PRO O 16 O1H0u 0.660 1.420 2.178 13.650 15.856 0.861 [OK] 5316 97 H PRO CB 9 C4H2b 0.770 1.880 4.235 27.258 25.314 1.077 possible 5317 97 H PRO CG 9 C4H2b 0.770 1.880 4.470 35.921 25.480 1.410 possible 5318 97 H PRO CD 8 C4H2s 0.770 1.880 4.538 30.428 23.390 1.301 possible 5319 98 H HIS N 12 N3H1s 0.700 1.640 2.533 13.227 13.532 0.977 [OK] 5320 98 H HIS CA 3 C4H1s 0.770 1.880 2.588 12.855 13.335 0.964 [OK] 5321 98 H HIS C 1 C3H0s 0.770 1.610 2.498 8.910 8.760 1.017 [OK] 5322 98 H HIS O 16 O1H0u 0.660 1.420 2.668 16.970 15.855 1.070 [OK] 5323 98 H HIS CB 8 C4H2s 0.770 1.880 3.052 25.476 23.443 1.087 possible 5324 98 H HIS CG 2 C3H0b 0.770 1.610 2.583 9.674 9.870 0.980 [OK] 5325 98 H HIS ND1 13 N3H1b 0.700 1.640 2.693 17.487 15.483 1.129 [OK] 5326 98 H HIS CD2 5 C3H1s 0.770 1.760 3.079 17.244 20.938 0.824 possible 5327 98 H HIS CE1 5 C3H1s 0.770 1.760 2.950 20.677 20.491 1.009 [OK] 5328 98 H HIS NE2 13 N3H1b 0.700 1.640 2.960 17.524 15.758 1.112 [OK] 5329 99 H ALA N 12 N3H1s 0.700 1.640 2.625 12.591 13.872 0.908 [OK] 5330 99 H ALA CA 4 C4H1b 0.770 1.880 2.779 12.067 13.959 0.864 [OK] 5331 99 H ALA C 1 C3H0s 0.770 1.610 2.355 8.216 8.858 0.928 [OK] 5332 99 H ALA O 16 O1H0u 0.660 1.420 2.745 14.849 16.026 0.927 [OK] 5333 99 H ALA CB 10 C4H3u 0.770 1.880 31.878 -1.000 36.551 -1.000 bad 5334 100 H PRO N 11 N3H0u 0.700 1.640 2.419 8.020 8.650 0.927 [OK] 5335 100 H PRO CA 4 C4H1b 0.770 1.880 2.656 12.756 13.828 0.922 [OK] 5336 100 H PRO C 1 C3H0s 0.770 1.610 2.658 8.653 8.768 0.987 [OK] 5337 100 H PRO O 16 O1H0u 0.660 1.420 19.144 -1.000 15.856 -1.000 bad 5338 100 H PRO CB 9 C4H2b 0.770 1.880 5.439 35.482 25.314 1.402 possible 5339 100 H PRO CG 9 C4H2b 0.770 1.880 7.655 44.958 25.480 1.764 possible 5340 100 H PRO CD 8 C4H2s 0.770 1.880 7.912 -1.000 23.390 -1.000 bad 5341 101 H THR N 12 N3H1s 0.700 1.640 2.777 12.391 13.544 0.915 [OK] 5342 101 H THR CA 3 C4H1s 0.770 1.880 7.829 27.759 13.025 2.131 possible 5343 101 H THR C 1 C3H0s 0.770 1.610 3.984 11.200 8.685 1.290 possible 5344 101 H THR O 16 O1H0u 0.660 1.420 30.914 -1.000 15.795 -1.000 bad 5345 101 H THR CB 4 C4H1b 0.770 1.880 16.080 -1.000 14.687 -1.000 bad 5346 101 H THR OG1 17 O2H1u 0.660 1.460 13.191 -1.000 17.610 -1.000 bad 5347 101 H THR CG2 10 C4H3u 0.770 1.880 18.488 -1.000 36.265 -1.000 bad 5348 102 H GLY N 12 N3H1s 0.700 1.640 3.002 18.446 14.480 1.274 possible 5349 102 H GLY CA 8 C4H2s 0.770 1.880 23.779 -1.000 23.470 -1.000 bad 5350 102 H GLY C 2 C3H0b 0.770 1.610 7.651 17.557 9.652 1.819 possible 5351 102 H GLY O 16 O1H0u 0.660 1.420 21.107 -1.000 16.154 -1.000 bad 5352 103 H ASP N 12 N3H1s 0.700 1.640 5.832 34.118 13.654 2.499 possible 5353 103 H ASP CA 3 C4H1s 0.770 1.880 4.644 16.199 13.254 1.222 possible 5354 103 H ASP C 1 C3H0s 0.770 1.610 2.620 8.215 8.750 0.939 [OK] 5355 103 H ASP O 16 O1H0u 0.660 1.420 2.394 11.592 15.757 0.736 [OK] 5356 103 H ASP CB 8 C4H2s 0.770 1.880 6.976 44.693 23.022 1.941 possible 5357 103 H ASP CG 2 C3H0b 0.770 1.610 4.793 11.527 9.336 1.235 possible 5358 103 H ASP OD1 16 O1H0u 0.660 1.420 2.729 13.804 15.078 0.915 [OK] 5359 103 H ASP OD2 16 O1H0u 0.660 1.420 9.237 -1.000 15.582 -1.000 bad 5360 104 H PRO N 11 N3H0u 0.700 1.640 2.886 9.023 8.650 1.043 [OK] 5361 104 H PRO CA 4 C4H1b 0.770 1.880 3.155 14.391 13.828 1.041 possible 5362 104 H PRO C 1 C3H0s 0.770 1.610 2.510 8.665 8.768 0.988 [OK] 5363 104 H PRO O 16 O1H0u 0.660 1.420 2.345 14.936 15.856 0.942 [OK] 5364 104 H PRO CB 9 C4H2b 0.770 1.880 3.005 24.645 25.314 0.974 possible 5365 104 H PRO CG 9 C4H2b 0.770 1.880 5.363 30.299 25.480 1.189 possible 5366 104 H PRO CD 8 C4H2s 0.770 1.880 7.932 53.626 23.390 2.293 possible 5367 105 H MET N 12 N3H1s 0.700 1.640 2.537 13.057 13.405 0.974 [OK] 5368 105 H MET CA 3 C4H1s 0.770 1.880 3.111 14.651 13.194 1.110 possible 5369 105 H MET C 1 C3H0s 0.770 1.610 2.646 8.350 8.756 0.954 [OK] 5370 105 H MET O 16 O1H0u 0.660 1.420 3.405 27.603 16.002 1.725 possible 5371 105 H MET CB 8 C4H2s 0.770 1.880 3.446 25.871 23.418 1.105 possible 5372 105 H MET CG 9 C4H2b 0.770 1.880 3.547 25.265 23.830 1.060 possible 5373 105 H MET SD 19 S2H0u 1.040 1.770 3.012 28.504 30.207 0.944 possible 5374 105 H MET CE 10 C4H3u 0.770 1.880 3.571 41.938 37.003 1.133 possible 5375 106 H LYS N 12 N3H1s 0.700 1.640 3.052 13.739 13.429 1.023 possible 5376 106 H LYS CA 3 C4H1s 0.770 1.880 4.314 19.710 13.217 1.491 possible 5377 106 H LYS C 1 C3H0s 0.770 1.610 3.155 8.974 8.696 1.032 possible 5378 106 H LYS O 16 O1H0u 0.660 1.420 17.029 -1.000 15.818 -1.000 bad 5379 106 H LYS CB 8 C4H2s 0.770 1.880 6.670 37.448 22.578 1.659 possible 5380 106 H LYS CG 8 C4H2s 0.770 1.880 26.264 -1.000 22.847 -1.000 bad 5381 106 H LYS CD 8 C4H2s 0.770 1.880 5.263 40.049 23.365 1.714 possible 5382 106 H LYS CE 9 C4H2b 0.770 1.880 36.686 -1.000 23.720 -1.000 bad 5383 106 H LYS NZ 14 N4H3u 0.700 1.640 53.578 -1.000 21.413 -1.000 bad 5384 107 H ASP N 12 N3H1s 0.700 1.640 2.305 10.727 13.654 0.786 [OK] 5385 107 H ASP CA 3 C4H1s 0.770 1.880 4.761 16.551 13.254 1.249 possible 5386 107 H ASP C 1 C3H0s 0.770 1.610 2.416 8.367 8.750 0.956 [OK] 5387 107 H ASP O 16 O1H0u 0.660 1.420 4.314 31.922 15.757 2.026 possible 5388 107 H ASP CB 8 C4H2s 0.770 1.880 3.695 25.334 23.022 1.100 possible 5389 107 H ASP CG 2 C3H0b 0.770 1.610 3.366 9.835 9.336 1.053 possible 5390 107 H ASP OD1 16 O1H0u 0.660 1.420 27.855 -1.000 15.078 -1.000 bad 5391 107 H ASP OD2 16 O1H0u 0.660 1.420 4.477 24.227 15.582 1.555 possible 5392 108 H GLY N 12 N3H1s 0.700 1.640 2.558 12.690 14.480 0.876 [OK] 5393 108 H GLY CA 8 C4H2s 0.770 1.880 3.694 26.552 23.470 1.131 possible 5394 108 H GLY C 2 C3H0b 0.770 1.610 2.375 9.569 9.652 0.991 [OK] 5395 108 H GLY O 16 O1H0u 0.660 1.420 2.606 15.791 16.154 0.978 [OK] 5396 109 H VAL N 12 N3H1s 0.700 1.640 2.476 13.481 13.553 0.995 [OK] 5397 109 H VAL CA 3 C4H1s 0.770 1.880 2.720 12.952 13.078 0.990 [OK] 5398 109 H VAL C 1 C3H0s 0.770 1.610 2.769 8.812 8.528 1.033 [OK] 5399 109 H VAL O 16 O1H0u 0.660 1.420 2.611 17.389 15.998 1.087 [OK] 5400 109 H VAL CB 4 C4H1b 0.770 1.880 2.789 14.529 14.514 1.001 [OK] 5401 109 H VAL CG1 10 C4H3u 0.770 1.880 3.288 39.498 36.320 1.087 possible 5402 109 H VAL CG2 10 C4H3u 0.770 1.880 3.265 37.269 36.173 1.030 possible 5403 110 H GLY N 12 N3H1s 0.700 1.640 2.764 13.194 14.480 0.911 [OK] 5404 110 H GLY CA 8 C4H2s 0.770 1.880 2.993 20.692 23.470 0.882 [OK] 5405 110 H GLY C 2 C3H0b 0.770 1.610 2.263 8.876 9.652 0.920 [OK] 5406 110 H GLY O 16 O1H0u 0.660 1.420 2.800 17.241 16.154 1.067 [OK] 5407 111 H PRO N 11 N3H0u 0.700 1.640 2.441 8.552 8.650 0.989 [OK] 5408 111 H PRO CA 4 C4H1b 0.770 1.880 3.178 15.437 13.828 1.116 possible 5409 111 H PRO C 1 C3H0s 0.770 1.610 2.421 8.950 8.768 1.021 [OK] 5410 111 H PRO O 16 O1H0u 0.660 1.420 2.524 15.384 15.856 0.970 [OK] 5411 111 H PRO CB 9 C4H2b 0.770 1.880 2.980 23.617 25.314 0.933 [OK] 5412 111 H PRO CG 9 C4H2b 0.770 1.880 3.023 23.406 25.480 0.919 possible 5413 111 H PRO CD 8 C4H2s 0.770 1.880 2.868 22.710 23.390 0.971 [OK] 5414 112 H ALA N 12 N3H1s 0.700 1.640 2.421 13.287 13.872 0.958 [OK] 5415 112 H ALA CA 4 C4H1b 0.770 1.880 2.682 12.888 13.959 0.923 [OK] 5416 112 H ALA C 1 C3H0s 0.770 1.610 2.651 10.054 8.858 1.135 [OK] 5417 112 H ALA O 16 O1H0u 0.660 1.420 3.393 22.269 16.026 1.390 possible 5418 112 H ALA CB 10 C4H3u 0.770 1.880 3.336 40.783 36.551 1.116 possible 5419 113 H SER N 12 N3H1s 0.700 1.640 2.509 14.599 13.808 1.057 [OK] 5420 113 H SER CA 3 C4H1s 0.770 1.880 2.575 12.397 13.351 0.929 [OK] 5421 113 H SER C 1 C3H0s 0.770 1.610 2.824 8.819 8.858 0.996 [OK] 5422 113 H SER O 16 O1H0u 0.660 1.420 2.498 17.966 15.860 1.133 [OK] 5423 113 H SER CB 8 C4H2s 0.770 1.880 3.032 23.313 23.599 0.988 possible 5424 113 H SER OG 17 O2H1u 0.660 1.460 2.446 17.280 18.021 0.959 [OK] 5425 114 H TRP N 12 N3H1s 0.700 1.640 2.903 14.523 13.639 1.065 [OK] 5426 114 H TRP CA 3 C4H1s 0.770 1.880 2.896 14.626 13.323 1.098 [OK] 5427 114 H TRP C 1 C3H0s 0.770 1.610 2.867 9.582 8.687 1.103 [OK] 5428 114 H TRP O 16 O1H0u 0.660 1.420 2.592 16.300 15.797 1.032 [OK] 5429 114 H TRP CB 8 C4H2s 0.770 1.880 3.063 23.600 23.826 0.991 possible 5430 114 H TRP CG 2 C3H0b 0.770 1.610 2.319 9.201 9.915 0.928 [OK] 5431 114 H TRP CD1 5 C3H1s 0.770 1.760 3.814 28.994 20.597 1.408 possible 5432 114 H TRP CD2 2 C3H0b 0.770 1.610 2.370 9.354 10.068 0.929 [OK] 5433 114 H TRP NE1 13 N3H1b 0.700 1.640 3.261 19.515 16.723 1.167 possible 5434 114 H TRP CE2 2 C3H0b 0.770 1.610 2.539 9.690 9.848 0.984 [OK] 5435 114 H TRP CE3 6 C3H1b 0.770 1.760 2.995 19.281 20.383 0.946 [OK] 5436 114 H TRP CZ2 6 C3H1b 0.770 1.760 5.719 44.553 20.931 2.129 possible 5437 114 H TRP CZ3 6 C3H1b 0.770 1.760 3.462 19.005 21.429 0.887 possible 5438 114 H TRP CH2 6 C3H1b 0.770 1.760 5.274 37.862 21.219 1.784 possible 5439 115 H VAL N 12 N3H1s 0.700 1.640 2.849 13.054 13.553 0.963 [OK] 5440 115 H VAL CA 3 C4H1s 0.770 1.880 2.919 12.677 13.078 0.969 [OK] 5441 115 H VAL C 1 C3H0s 0.770 1.610 2.072 7.146 8.528 0.838 [OK] 5442 115 H VAL O 16 O1H0u 0.660 1.420 2.650 17.038 15.998 1.065 [OK] 5443 115 H VAL CB 4 C4H1b 0.770 1.880 2.760 14.353 14.514 0.989 [OK] 5444 115 H VAL CG1 10 C4H3u 0.770 1.880 3.059 30.382 36.320 0.837 possible 5445 115 H VAL CG2 10 C4H3u 0.770 1.880 3.921 38.564 36.173 1.066 possible 5446 116 H ALA N 12 N3H1s 0.700 1.640 2.624 13.142 13.872 0.947 [OK] 5447 116 H ALA CA 4 C4H1b 0.770 1.880 2.620 11.355 13.959 0.813 [OK] 5448 116 H ALA C 1 C3H0s 0.770 1.610 2.574 8.685 8.858 0.980 [OK] 5449 116 H ALA O 16 O1H0u 0.660 1.420 5.101 38.596 16.026 2.408 possible 5450 116 H ALA CB 10 C4H3u 0.770 1.880 6.359 65.748 36.551 1.799 possible 5451 117 H ARG N 12 N3H1s 0.700 1.640 2.461 12.636 13.486 0.937 [OK] 5452 117 H ARG CA 3 C4H1s 0.770 1.880 2.607 12.218 13.310 0.918 [OK] 5453 117 H ARG C 1 C3H0s 0.770 1.610 2.471 8.539 8.779 0.973 [OK] 5454 117 H ARG O 16 O1H0u 0.660 1.420 6.711 44.061 15.916 2.768 possible 5455 117 H ARG CB 8 C4H2s 0.770 1.880 2.797 21.526 22.833 0.943 [OK] 5456 117 H ARG CG 8 C4H2s 0.770 1.880 2.651 21.474 23.273 0.923 [OK] 5457 117 H ARG CD 8 C4H2s 0.770 1.880 2.671 20.481 22.849 0.896 [OK] 5458 117 H ARG NE 13 N3H1b 0.700 1.640 2.442 15.362 15.019 1.023 [OK] 5459 117 H ARG CZ 2 C3H0b 0.770 1.610 2.326 9.271 9.678 0.958 [OK] 5460 117 H ARG NH1 15 N3H2u 0.700 1.640 2.618 22.659 22.056 1.027 [OK] 5461 117 H ARG NH2 15 N3H2u 0.700 1.640 3.055 23.314 23.132 1.008 possible 5462 118 H ARG N 12 N3H1s 0.700 1.640 2.668 13.456 13.486 0.998 [OK] 5463 118 H ARG CA 3 C4H1s 0.770 1.880 8.258 -1.000 13.310 -1.000 bad 5464 118 H ARG C 1 C3H0s 0.770 1.610 2.389 8.325 8.779 0.948 [OK] 5465 118 H ARG O 16 O1H0u 0.660 1.420 2.401 15.037 15.916 0.945 [OK] 5466 118 H ARG CB 8 C4H2s 0.770 1.880 5.086 24.483 22.833 1.072 possible 5467 118 H ARG CG 8 C4H2s 0.770 1.880 15.153 -1.000 23.273 -1.000 bad 5468 118 H ARG CD 8 C4H2s 0.770 1.880 2.935 21.435 22.849 0.938 [OK] 5469 118 H ARG NE 13 N3H1b 0.700 1.640 3.328 17.382 15.019 1.157 possible 5470 118 H ARG CZ 2 C3H0b 0.770 1.610 3.975 12.734 9.678 1.316 possible 5471 118 H ARG NH1 15 N3H2u 0.700 1.640 13.436 -1.000 22.056 -1.000 bad 5472 118 H ARG NH2 15 N3H2u 0.700 1.640 2.992 22.201 23.132 0.960 [OK] 5473 119 H ASP N 12 N3H1s 0.700 1.640 6.118 -1.000 13.654 -1.000 bad 5474 119 H ASP CA 3 C4H1s 0.770 1.880 2.556 12.516 13.254 0.944 [OK] 5475 119 H ASP C 1 C3H0s 0.770 1.610 3.280 9.276 8.750 1.060 possible 5476 119 H ASP O 16 O1H0u 0.660 1.420 6.282 24.225 15.757 1.537 possible 5477 119 H ASP CB 8 C4H2s 0.770 1.880 25.250 -1.000 23.022 -1.000 bad 5478 119 H ASP CG 2 C3H0b 0.770 1.610 3.174 10.416 9.336 1.116 possible 5479 119 H ASP OD1 16 O1H0u 0.660 1.420 2.520 15.046 15.078 0.998 [OK] 5480 119 H ASP OD2 16 O1H0u 0.660 1.420 20.194 -1.000 15.582 -1.000 bad 5481 120 H LEU N 12 N3H1s 0.700 1.640 2.674 13.543 13.517 1.002 [OK] 5482 120 H LEU CA 3 C4H1s 0.770 1.880 2.859 11.971 13.055 0.917 [OK] 5483 120 H LEU C 1 C3H0s 0.770 1.610 2.300 8.234 8.781 0.938 [OK] 5484 120 H LEU O 16 O1H0u 0.660 1.420 2.502 15.053 15.957 0.943 [OK] 5485 120 H LEU CB 8 C4H2s 0.770 1.880 2.914 16.952 22.818 0.743 [OK] 5486 120 H LEU CG 4 C4H1b 0.770 1.880 6.408 28.799 14.704 1.959 possible 5487 120 H LEU CD1 10 C4H3u 0.770 1.880 37.433 -1.000 37.235 -1.000 bad 5488 120 H LEU CD2 10 C4H3u 0.770 1.880 19.458 -1.000 37.020 -1.000 bad 5489 121 H PRO N 11 N3H0u 0.700 1.640 2.250 7.572 8.650 0.875 [OK] 5490 121 H PRO CA 4 C4H1b 0.770 1.880 3.267 14.230 13.828 1.029 possible 5491 121 H PRO C 1 C3H0s 0.770 1.610 2.443 9.320 8.768 1.063 [OK] 5492 121 H PRO O 16 O1H0u 0.660 1.420 2.319 13.316 15.856 0.840 [OK] 5493 121 H PRO CB 9 C4H2b 0.770 1.880 2.820 25.176 25.314 0.995 [OK] 5494 121 H PRO CG 9 C4H2b 0.770 1.880 3.184 29.357 25.480 1.152 possible 5495 121 H PRO CD 8 C4H2s 0.770 1.880 3.913 30.653 23.390 1.311 possible 5496 122 H GLU N 12 N3H1s 0.700 1.640 3.154 18.953 13.461 1.408 possible 5497 122 H GLU CA 3 C4H1s 0.770 1.880 3.023 14.349 13.284 1.080 possible 5498 122 H GLU C 1 C3H0s 0.770 1.610 2.488 8.438 8.631 0.978 [OK] 5499 122 H GLU O 16 O1H0u 0.660 1.420 2.381 13.220 15.765 0.839 [OK] 5500 122 H GLU CB 8 C4H2s 0.770 1.880 3.175 24.762 23.214 1.067 possible 5501 122 H GLU CG 8 C4H2s 0.770 1.880 3.000 25.069 23.304 1.076 [OK] 5502 122 H GLU CD 2 C3H0b 0.770 1.610 2.229 8.279 9.437 0.877 [OK] 5503 122 H GLU OE1 16 O1H0u 0.660 1.420 2.433 15.648 15.497 1.010 [OK] 5504 122 H GLU OE2 16 O1H0u 0.660 1.420 2.579 15.857 16.213 0.978 [OK] 5505 123 H LEU N 12 N3H1s 0.700 1.640 2.492 12.612 13.517 0.933 [OK] 5506 123 H LEU CA 3 C4H1s 0.770 1.880 2.290 11.100 13.055 0.850 [OK] 5507 123 H LEU C 1 C3H0s 0.770 1.610 2.470 8.458 8.781 0.963 [OK] 5508 123 H LEU O 16 O1H0u 0.660 1.420 2.926 23.089 15.957 1.447 [OK] 5509 123 H LEU CB 8 C4H2s 0.770 1.880 2.809 21.020 22.818 0.921 [OK] 5510 123 H LEU CG 4 C4H1b 0.770 1.880 2.688 13.147 14.704 0.894 [OK] 5511 123 H LEU CD1 10 C4H3u 0.770 1.880 4.822 47.127 37.235 1.266 possible 5512 123 H LEU CD2 10 C4H3u 0.770 1.880 2.795 33.836 37.020 0.914 [OK] 5513 124 H ASP N 12 N3H1s 0.700 1.640 2.516 12.303 13.654 0.901 [OK] 5514 124 H ASP CA 3 C4H1s 0.770 1.880 2.876 14.773 13.254 1.115 [OK] 5515 124 H ASP C 1 C3H0s 0.770 1.610 2.872 9.616 8.750 1.099 [OK] 5516 124 H ASP O 16 O1H0u 0.660 1.420 2.598 14.887 15.757 0.945 [OK] 5517 124 H ASP CB 8 C4H2s 0.770 1.880 2.956 22.213 23.022 0.965 [OK] 5518 124 H ASP CG 2 C3H0b 0.770 1.610 2.583 8.764 9.336 0.939 [OK] 5519 124 H ASP OD1 16 O1H0u 0.660 1.420 2.083 11.396 15.078 0.756 [OK] 5520 124 H ASP OD2 16 O1H0u 0.660 1.420 4.188 24.897 15.582 1.598 possible 5521 125 H GLY N 12 N3H1s 0.700 1.640 2.743 13.998 14.480 0.967 [OK] 5522 125 H GLY CA 8 C4H2s 0.770 1.880 2.921 25.383 23.470 1.082 [OK] 5523 125 H GLY C 2 C3H0b 0.770 1.610 2.432 9.222 9.652 0.955 [OK] 5524 125 H GLY O 16 O1H0u 0.660 1.420 6.528 46.687 16.154 2.890 possible 5525 126 H HIS N 12 N3H1s 0.700 1.640 2.710 12.922 13.532 0.955 [OK] 5526 126 H HIS CA 3 C4H1s 0.770 1.880 4.195 14.703 13.335 1.103 possible 5527 126 H HIS C 1 C3H0s 0.770 1.610 2.889 9.812 8.760 1.120 [OK] 5528 126 H HIS O 16 O1H0u 0.660 1.420 24.548 -1.000 15.855 -1.000 bad 5529 126 H HIS CB 8 C4H2s 0.770 1.880 4.088 24.195 23.443 1.032 possible 5530 126 H HIS CG 2 C3H0b 0.770 1.610 6.082 16.697 9.870 1.692 possible 5531 126 H HIS ND1 13 N3H1b 0.700 1.640 7.300 -1.000 15.483 -1.000 bad 5532 126 H HIS CD2 5 C3H1s 0.770 1.760 27.384 -1.000 20.938 -1.000 bad 5533 126 H HIS CE1 5 C3H1s 0.770 1.760 12.712 -1.000 20.491 -1.000 bad 5534 126 H HIS NE2 13 N3H1b 0.700 1.640 11.981 -1.000 15.758 -1.000 bad 5535 127 H GLY N 12 N3H1s 0.700 1.640 2.574 12.877 14.480 0.889 [OK] 5536 127 H GLY CA 8 C4H2s 0.770 1.880 7.989 45.168 23.470 1.925 possible 5537 127 H GLY C 2 C3H0b 0.770 1.610 3.911 11.084 9.652 1.148 possible 5538 127 H GLY O 16 O1H0u 0.660 1.420 7.137 37.981 16.154 2.351 possible 5539 128 H HIS N 12 N3H1s 0.700 1.640 2.482 11.672 13.532 0.863 [OK] 5540 128 H HIS CA 3 C4H1s 0.770 1.880 4.489 17.996 13.335 1.350 possible 5541 128 H HIS C 1 C3H0s 0.770 1.610 2.454 8.638 8.760 0.986 [OK] 5542 128 H HIS O 16 O1H0u 0.660 1.420 2.137 12.047 15.855 0.760 [OK] 5543 128 H HIS CB 8 C4H2s 0.770 1.880 5.432 39.077 23.443 1.667 possible 5544 128 H HIS CG 2 C3H0b 0.770 1.610 4.318 13.684 9.870 1.386 possible 5545 128 H HIS ND1 13 N3H1b 0.700 1.640 19.989 -1.000 15.483 -1.000 bad 5546 128 H HIS CD2 5 C3H1s 0.770 1.760 7.603 56.881 20.938 2.717 possible 5547 128 H HIS CE1 5 C3H1s 0.770 1.760 38.829 -1.000 20.491 -1.000 bad 5548 128 H HIS NE2 13 N3H1b 0.700 1.640 18.767 -1.000 15.758 -1.000 bad 5549 129 H ASN N 12 N3H1s 0.700 1.640 4.417 20.283 13.525 1.500 possible 5550 129 H ASN CA 3 C4H1s 0.770 1.880 2.784 13.190 13.052 1.011 [OK] 5551 129 H ASN C 1 C3H0s 0.770 1.610 2.218 8.124 8.853 0.918 [OK] 5552 129 H ASN O 16 O1H0u 0.660 1.420 2.621 19.746 15.857 1.245 [OK] 5553 129 H ASN CB 8 C4H2s 0.770 1.880 3.474 27.364 22.756 1.202 possible 5554 129 H ASN CG 2 C3H0b 0.770 1.610 4.664 13.138 9.537 1.378 possible 5555 129 H ASN OD1 16 O1H0u 0.660 1.420 5.143 25.634 16.247 1.578 possible 5556 129 H ASN ND2 15 N3H2u 0.700 1.640 6.087 44.526 22.525 1.977 possible 5557 130 H LYS N 12 N3H1s 0.700 1.640 2.265 11.962 13.429 0.891 [OK] 5558 130 H LYS CA 3 C4H1s 0.770 1.880 2.691 14.029 13.217 1.061 [OK] 5559 130 H LYS C 1 C3H0s 0.770 1.610 2.284 7.393 8.696 0.850 [OK] 5560 130 H LYS O 16 O1H0u 0.660 1.420 2.409 16.422 15.818 1.038 [OK] 5561 130 H LYS CB 8 C4H2s 0.770 1.880 3.031 21.908 22.578 0.970 possible 5562 130 H LYS CG 8 C4H2s 0.770 1.880 3.043 22.185 22.847 0.971 possible 5563 130 H LYS CD 8 C4H2s 0.770 1.880 2.971 21.457 23.365 0.918 [OK] 5564 130 H LYS CE 9 C4H2b 0.770 1.880 3.135 27.619 23.720 1.164 possible 5565 130 H LYS NZ 14 N4H3u 0.700 1.640 2.956 21.604 21.413 1.009 [OK] 5566 131 H ILE N 12 N3H1s 0.700 1.640 2.456 12.596 13.493 0.934 [OK] 5567 131 H ILE CA 3 C4H1s 0.770 1.880 2.449 12.072 12.946 0.933 [OK] 5568 131 H ILE C 1 C3H0s 0.770 1.610 2.603 9.184 8.445 1.087 [OK] 5569 131 H ILE O 16 O1H0u 0.660 1.420 2.774 20.864 15.930 1.310 [OK] 5570 131 H ILE CB 4 C4H1b 0.770 1.880 3.211 15.518 14.146 1.097 possible 5571 131 H ILE CG1 9 C4H2b 0.770 1.880 3.011 23.448 24.071 0.974 possible 5572 131 H ILE CG2 10 C4H3u 0.770 1.880 2.971 39.379 35.763 1.101 [OK] 5573 131 H ILE CD1 10 C4H3u 0.770 1.880 3.269 40.731 38.219 1.066 possible 5574 132 H LYS N 12 N3H1s 0.700 1.640 2.456 13.528 13.429 1.007 [OK] 5575 132 H LYS CA 3 C4H1s 0.770 1.880 2.962 13.569 13.217 1.027 [OK] 5576 132 H LYS C 1 C3H0s 0.770 1.610 2.401 8.969 8.696 1.031 [OK] 5577 132 H LYS O 16 O1H0u 0.660 1.420 2.258 14.895 15.818 0.942 [OK] 5578 132 H LYS CB 8 C4H2s 0.770 1.880 2.768 21.097 22.578 0.934 [OK] 5579 132 H LYS CG 8 C4H2s 0.770 1.880 3.907 34.594 22.847 1.514 possible 5580 132 H LYS CD 8 C4H2s 0.770 1.880 3.266 26.883 23.365 1.151 possible 5581 132 H LYS CE 9 C4H2b 0.770 1.880 22.634 -1.000 23.720 -1.000 bad 5582 132 H LYS NZ 14 N4H3u 0.700 1.640 7.375 87.693 21.413 4.095 possible 5583 133 H PRO N 11 N3H0u 0.700 1.640 2.341 8.184 8.650 0.946 [OK] 5584 133 H PRO CA 4 C4H1b 0.770 1.880 2.893 13.841 13.828 1.001 [OK] 5585 133 H PRO C 1 C3H0s 0.770 1.610 2.470 8.665 8.768 0.988 [OK] 5586 133 H PRO O 16 O1H0u 0.660 1.420 2.349 14.741 15.856 0.930 [OK] 5587 133 H PRO CB 9 C4H2b 0.770 1.880 3.364 27.032 25.314 1.068 possible 5588 133 H PRO CG 9 C4H2b 0.770 1.880 3.352 28.798 25.480 1.130 possible 5589 133 H PRO CD 8 C4H2s 0.770 1.880 3.587 27.124 23.390 1.160 possible 5590 134 H MET N 12 N3H1s 0.700 1.640 2.517 13.064 13.405 0.975 [OK] 5591 134 H MET CA 3 C4H1s 0.770 1.880 2.788 12.564 13.194 0.952 [OK] 5592 134 H MET C 1 C3H0s 0.770 1.610 3.813 9.326 8.756 1.065 possible 5593 134 H MET O 16 O1H0u 0.660 1.420 3.742 16.776 16.002 1.048 possible 5594 134 H MET CB 8 C4H2s 0.770 1.880 3.310 20.530 23.418 0.877 possible 5595 134 H MET CG 9 C4H2b 0.770 1.880 3.915 24.535 23.830 1.030 possible 5596 134 H MET SD 19 S2H0u 1.040 1.770 3.216 31.754 30.207 1.051 possible 5597 134 H MET CE 10 C4H3u 0.770 1.880 7.439 71.057 37.003 1.920 possible 5598 135 H LYS N 12 N3H1s 0.700 1.640 4.230 17.939 13.429 1.336 possible 5599 135 H LYS CA 3 C4H1s 0.770 1.880 11.277 -1.000 13.217 -1.000 bad 5600 135 H LYS C 1 C3H0s 0.770 1.610 2.748 7.999 8.696 0.920 [OK] 5601 135 H LYS O 16 O1H0u 0.660 1.420 27.362 -1.000 15.818 -1.000 bad 5602 135 H LYS CB 8 C4H2s 0.770 1.880 18.296 -1.000 22.578 -1.000 bad 5603 135 H LYS CG 8 C4H2s 0.770 1.880 7.649 42.370 22.847 1.854 possible 5604 135 H LYS CD 8 C4H2s 0.770 1.880 32.964 -1.000 23.365 -1.000 bad 5605 135 H LYS CE 9 C4H2b 0.770 1.880 7.252 60.826 23.720 2.564 possible 5606 135 H LYS NZ 14 N4H3u 0.700 1.640 23.509 -1.000 21.413 -1.000 bad 5607 136 H ALA N 12 N3H1s 0.700 1.640 2.557 11.952 13.872 0.862 [OK] 5608 136 H ALA CA 4 C4H1b 0.770 1.880 9.731 -1.000 13.959 -1.000 bad 5609 136 H ALA C 1 C3H0s 0.770 1.610 3.859 11.858 8.858 1.339 possible 5610 136 H ALA O 16 O1H0u 0.660 1.420 5.036 30.737 16.026 1.918 possible 5611 136 H ALA CB 10 C4H3u 0.770 1.880 27.878 -1.000 36.551 -1.000 bad 5612 137 H ALA N 12 N3H1s 0.700 1.640 2.784 12.966 13.872 0.935 [OK] 5613 137 H ALA CA 4 C4H1b 0.770 1.880 3.515 17.156 13.959 1.229 possible 5614 137 H ALA C 1 C3H0s 0.770 1.610 3.057 10.113 8.858 1.142 possible 5615 137 H ALA O 16 O1H0u 0.660 1.420 2.876 14.014 16.026 0.874 [OK] 5616 137 H ALA CB 10 C4H3u 0.770 1.880 3.090 33.569 36.551 0.918 possible 5617 138 H ALA N 12 N3H1s 0.700 1.640 4.153 24.497 13.872 1.766 possible 5618 138 H ALA CA 4 C4H1b 0.770 1.880 6.941 30.072 13.959 2.154 possible 5619 138 H ALA C 1 C3H0s 0.770 1.610 4.014 9.797 8.858 1.106 possible 5620 138 H ALA O 16 O1H0u 0.660 1.420 5.426 38.808 16.026 2.422 possible 5621 138 H ALA CB 10 C4H3u 0.770 1.880 53.908 -1.000 36.551 -1.000 bad 5622 139 H GLY N 12 N3H1s 0.700 1.640 6.560 -1.000 14.480 -1.000 bad 5623 139 H GLY CA 8 C4H2s 0.770 1.880 32.364 -1.000 23.470 -1.000 bad 5624 139 H GLY C 2 C3H0b 0.770 1.610 4.706 13.373 9.652 1.386 possible 5625 139 H GLY O 16 O1H0u 0.660 1.420 7.939 40.529 16.154 2.509 possible 5626 140 H PHE N 12 N3H1s 0.700 1.640 4.105 16.196 13.524 1.198 possible 5627 140 H PHE CA 3 C4H1s 0.770 1.880 2.277 10.877 13.371 0.813 [OK] 5628 140 H PHE C 1 C3H0s 0.770 1.610 2.959 8.665 8.697 0.996 [OK] 5629 140 H PHE O 16 O1H0u 0.660 1.420 9.570 -1.000 15.961 -1.000 bad 5630 140 H PHE CB 8 C4H2s 0.770 1.880 2.791 21.985 23.623 0.931 [OK] 5631 140 H PHE CG 2 C3H0b 0.770 1.610 2.569 9.589 9.684 0.990 [OK] 5632 140 H PHE CD1 5 C3H1s 0.770 1.760 3.178 21.191 20.325 1.043 possible 5633 140 H PHE CD2 6 C3H1b 0.770 1.760 2.696 18.570 20.948 0.886 [OK] 5634 140 H PHE CE1 6 C3H1b 0.770 1.760 4.298 33.048 21.532 1.535 possible 5635 140 H PHE CE2 6 C3H1b 0.770 1.760 2.903 23.490 21.625 1.086 [OK] 5636 140 H PHE CZ 6 C3H1b 0.770 1.760 3.127 23.243 21.555 1.078 possible 5637 141 H HIS N 12 N3H1s 0.700 1.640 2.554 13.211 13.532 0.976 [OK] 5638 141 H HIS CA 3 C4H1s 0.770 1.880 4.474 17.276 13.335 1.296 possible 5639 141 H HIS C 1 C3H0s 0.770 1.610 2.522 9.091 8.760 1.038 [OK] 5640 141 H HIS O 16 O1H0u 0.660 1.420 2.252 15.168 15.855 0.957 [OK] 5641 141 H HIS CB 8 C4H2s 0.770 1.880 30.351 -1.000 23.443 -1.000 bad 5642 141 H HIS CG 2 C3H0b 0.770 1.610 0.749 -1.000 9.870 -1.000 bad 5643 141 H HIS ND1 13 N3H1b 0.700 1.640 6.008 -1.000 15.483 -1.000 bad 5644 141 H HIS CD2 5 C3H1s 0.770 1.760 10.798 -1.000 20.938 -1.000 bad 5645 141 H HIS CE1 5 C3H1s 0.770 1.760 18.096 -1.000 20.491 -1.000 bad 5646 141 H HIS NE2 13 N3H1b 0.700 1.640 6.772 25.395 15.758 1.612 possible 5647 142 H VAL N 12 N3H1s 0.700 1.640 3.946 20.661 13.553 1.524 possible 5648 142 H VAL CA 3 C4H1s 0.770 1.880 2.685 12.838 13.078 0.982 [OK] 5649 142 H VAL C 1 C3H0s 0.770 1.610 2.809 7.903 8.528 0.927 [OK] 5650 142 H VAL O 16 O1H0u 0.660 1.420 16.517 -1.000 15.998 -1.000 bad 5651 142 H VAL CB 4 C4H1b 0.770 1.880 4.670 20.361 14.514 1.403 possible 5652 142 H VAL CG1 10 C4H3u 0.770 1.880 6.040 46.653 36.320 1.285 possible 5653 142 H VAL CG2 10 C4H3u 0.770 1.880 3.407 34.790 36.173 0.962 possible 5654 143 H SER N 12 N3H1s 0.700 1.640 2.571 13.706 13.808 0.993 [OK] 5655 143 H SER CA 3 C4H1s 0.770 1.880 3.968 17.016 13.351 1.275 possible 5656 143 H SER C 1 C3H0s 0.770 1.610 3.711 11.370 8.858 1.284 possible 5657 143 H SER O 16 O1H0u 0.660 1.420 29.691 -1.000 15.860 -1.000 bad 5658 143 H SER CB 8 C4H2s 0.770 1.880 4.020 33.045 23.599 1.400 possible 5659 143 H SER OG 17 O2H1u 0.660 1.460 3.138 25.294 18.021 1.404 possible 5660 144 H ALA N 12 N3H1s 0.700 1.640 3.542 14.325 13.872 1.033 possible 5661 144 H ALA CA 4 C4H1b 0.770 1.880 7.581 27.663 13.959 1.982 possible 5662 144 H ALA C 1 C3H0s 0.770 1.610 3.074 9.432 8.858 1.065 possible 5663 144 H ALA O 16 O1H0u 0.660 1.420 2.447 15.626 16.026 0.975 [OK] 5664 144 H ALA CB 10 C4H3u 0.770 1.880 5.391 -1.000 36.551 -1.000 bad 5665 145 H GLY N 12 N3H1s 0.700 1.640 10.054 -1.000 14.480 -1.000 bad 5666 145 H GLY CA 8 C4H2s 0.770 1.880 12.798 -1.000 23.470 -1.000 bad 5667 145 H GLY C 2 C3H0b 0.770 1.610 7.164 14.090 9.652 1.460 possible 5668 145 H GLY O 16 O1H0u 0.660 1.420 6.996 -1.000 16.154 -1.000 bad 5669 146 H LYS N 12 N3H1s 0.700 1.640 4.665 -1.000 13.429 -1.000 bad 5670 146 H LYS CA 3 C4H1s 0.770 1.880 7.258 -1.000 13.217 -1.000 bad 5671 146 H LYS C 1 C3H0s 0.770 1.610 2.209 7.504 8.696 0.863 [OK] 5672 146 H LYS O 16 O1H0u 0.660 1.420 2.399 16.473 15.818 1.041 [OK] 5673 146 H LYS CB 8 C4H2s 0.770 1.880 7.049 53.169 22.578 2.355 possible 5674 146 H LYS CG 8 C4H2s 0.770 1.880 3.225 22.712 22.847 0.994 possible 5675 146 H LYS CD 8 C4H2s 0.770 1.880 17.091 -1.000 23.365 -1.000 bad 5676 146 H LYS CE 9 C4H2b 0.770 1.880 12.208 -1.000 23.720 -1.000 bad 5677 146 H LYS NZ 14 N4H3u 0.700 1.640 9.281 -1.000 21.413 -1.000 bad 5678 147 H ASN N 12 N3H1s 0.700 1.640 3.986 -1.000 13.525 -1.000 bad 5679 147 H ASN CA 3 C4H1s 0.770 1.880 2.637 12.354 13.052 0.947 [OK] 5680 147 H ASN C 1 C3H0s 0.770 1.610 2.330 8.202 8.853 0.926 [OK] 5681 147 H ASN O 16 O1H0u 0.660 1.420 2.749 16.403 15.857 1.034 [OK] 5682 147 H ASN CB 8 C4H2s 0.770 1.880 16.903 -1.000 22.756 -1.000 bad 5683 147 H ASN CG 2 C3H0b 0.770 1.610 3.698 11.905 9.537 1.248 possible 5684 147 H ASN OD1 16 O1H0u 0.660 1.420 2.957 15.529 16.247 0.956 [OK] 5685 147 H ASN ND2 15 N3H2u 0.700 1.640 28.757 -1.000 22.525 -1.000 bad 5686 148 H PRO N 11 N3H0u 0.700 1.640 2.426 8.331 8.650 0.963 [OK] 5687 148 H PRO CA 4 C4H1b 0.770 1.880 2.657 12.236 13.828 0.885 [OK] 5688 148 H PRO C 1 C3H0s 0.770 1.610 2.372 8.850 8.768 1.009 [OK] 5689 148 H PRO O 16 O1H0u 0.660 1.420 2.414 13.880 15.856 0.875 [OK] 5690 148 H PRO CB 9 C4H2b 0.770 1.880 2.963 26.649 25.314 1.053 [OK] 5691 148 H PRO CG 9 C4H2b 0.770 1.880 3.436 24.381 25.480 0.957 possible 5692 148 H PRO CD 8 C4H2s 0.770 1.880 2.707 21.751 23.390 0.930 [OK] 5693 149 H ILE N 12 N3H1s 0.700 1.640 2.525 12.724 13.493 0.943 [OK] 5694 149 H ILE CA 3 C4H1s 0.770 1.880 2.694 12.171 12.946 0.940 [OK] 5695 149 H ILE C 1 C3H0s 0.770 1.610 2.704 7.182 8.445 0.850 [OK] 5696 149 H ILE O 16 O1H0u 0.660 1.420 8.788 -1.000 15.930 -1.000 bad 5697 149 H ILE CB 4 C4H1b 0.770 1.880 3.977 15.329 14.146 1.084 possible 5698 149 H ILE CG1 9 C4H2b 0.770 1.880 2.719 20.821 24.071 0.865 [OK] 5699 149 H ILE CG2 10 C4H3u 0.770 1.880 31.595 -1.000 35.763 -1.000 bad 5700 149 H ILE CD1 10 C4H3u 0.770 1.880 13.497 -1.000 38.219 -1.000 bad 5701 150 H GLY N 12 N3H1s 0.700 1.640 3.161 13.756 14.480 0.950 possible 5702 150 H GLY CA 8 C4H2s 0.770 1.880 24.810 -1.000 23.470 -1.000 bad 5703 150 H GLY C 2 C3H0b 0.770 1.610 3.843 12.298 9.652 1.274 possible 5704 150 H GLY O 16 O1H0u 0.660 1.420 22.807 -1.000 16.154 -1.000 bad 5705 151 H LEU N 12 N3H1s 0.700 1.640 2.724 12.444 13.517 0.921 [OK] 5706 151 H LEU CA 3 C4H1s 0.770 1.880 3.017 11.083 13.055 0.849 possible 5707 151 H LEU C 1 C3H0s 0.770 1.610 2.617 8.457 8.781 0.963 [OK] 5708 151 H LEU O 16 O1H0u 0.660 1.420 2.502 16.173 15.957 1.014 [OK] 5709 151 H LEU CB 8 C4H2s 0.770 1.880 2.961 22.489 22.818 0.986 [OK] 5710 151 H LEU CG 4 C4H1b 0.770 1.880 2.779 15.180 14.704 1.032 [OK] 5711 151 H LEU CD1 10 C4H3u 0.770 1.880 13.216 -1.000 37.235 -1.000 bad 5712 151 H LEU CD2 10 C4H3u 0.770 1.880 2.775 31.221 37.020 0.843 [OK] 5713 152 H PRO N 11 N3H0u 0.700 1.640 3.430 10.295 8.650 1.190 possible 5714 152 H PRO CA 4 C4H1b 0.770 1.880 3.281 13.944 13.828 1.008 possible 5715 152 H PRO C 1 C3H0s 0.770 1.610 3.176 9.816 8.768 1.119 possible 5716 152 H PRO O 16 O1H0u 0.660 1.420 2.994 17.644 15.856 1.113 [OK] 5717 152 H PRO CB 9 C4H2b 0.770 1.880 12.376 -1.000 25.314 -1.000 bad 5718 152 H PRO CG 9 C4H2b 0.770 1.880 21.656 -1.000 25.480 -1.000 bad 5719 152 H PRO CD 8 C4H2s 0.770 1.880 10.204 -1.000 23.390 -1.000 bad 5720 153 H VAL N 12 N3H1s 0.700 1.640 2.779 13.824 13.553 1.020 [OK] 5721 153 H VAL CA 3 C4H1s 0.770 1.880 2.535 11.352 13.078 0.868 [OK] 5722 153 H VAL C 1 C3H0s 0.770 1.610 3.071 9.154 8.528 1.073 possible 5723 153 H VAL O 16 O1H0u 0.660 1.420 2.422 16.100 15.998 1.006 [OK] 5724 153 H VAL CB 4 C4H1b 0.770 1.880 3.134 15.345 14.514 1.057 possible 5725 153 H VAL CG1 10 C4H3u 0.770 1.880 3.584 36.642 36.320 1.009 possible 5726 153 H VAL CG2 10 C4H3u 0.770 1.880 3.616 38.851 36.173 1.074 possible 5727 154 H ARG N 12 N3H1s 0.700 1.640 3.230 14.936 13.486 1.107 possible 5728 154 H ARG CA 3 C4H1s 0.770 1.880 2.772 12.605 13.310 0.947 [OK] 5729 154 H ARG C 1 C3H0s 0.770 1.610 2.653 9.961 8.779 1.135 [OK] 5730 154 H ARG O 16 O1H0u 0.660 1.420 2.500 15.697 15.916 0.986 [OK] 5731 154 H ARG CB 8 C4H2s 0.770 1.880 3.607 25.208 22.833 1.104 possible 5732 154 H ARG CG 8 C4H2s 0.770 1.880 3.176 22.834 23.273 0.981 possible 5733 154 H ARG CD 8 C4H2s 0.770 1.880 5.184 37.503 22.849 1.641 possible 5734 154 H ARG NE 13 N3H1b 0.700 1.640 2.464 13.249 15.019 0.882 [OK] 5735 154 H ARG CZ 2 C3H0b 0.770 1.610 2.413 8.567 9.678 0.885 [OK] 5736 154 H ARG NH1 15 N3H2u 0.700 1.640 24.388 -1.000 22.056 -1.000 bad 5737 154 H ARG NH2 15 N3H2u 0.700 1.640 17.256 -1.000 23.132 -1.000 bad 5738 155 H GLY N 12 N3H1s 0.700 1.640 2.563 14.243 14.480 0.984 [OK] 5739 155 H GLY CA 8 C4H2s 0.770 1.880 2.690 22.187 23.470 0.945 [OK] 5740 155 H GLY C 2 C3H0b 0.770 1.610 2.697 10.406 9.652 1.078 [OK] 5741 155 H GLY O 16 O1H0u 0.660 1.420 2.377 14.689 16.154 0.909 [OK] 5742 156 H CYS N 12 N3H1s 0.700 1.640 2.508 12.774 13.865 0.921 [OK] 5743 156 H CYS CA 3 C4H1s 0.770 1.880 3.060 16.338 13.583 1.203 possible 5744 156 H CYS C 1 C3H0s 0.770 1.610 2.500 8.276 8.786 0.942 [OK] 5745 156 H CYS O 16 O1H0u 0.660 1.420 3.059 19.641 16.382 1.199 possible 5746 156 H CYS CB 9 C4H2b 0.770 1.880 3.002 20.571 23.471 0.876 possible 5747 156 H CYS SG 20 S2H1u 1.040 1.770 2.763 29.171 36.748 0.794 [OK] 5748 157 H ASP N 12 N3H1s 0.700 1.640 2.602 12.699 13.654 0.930 [OK] 5749 157 H ASP CA 3 C4H1s 0.770 1.880 3.261 14.529 13.254 1.096 possible 5750 157 H ASP C 1 C3H0s 0.770 1.610 2.385 8.885 8.750 1.015 [OK] 5751 157 H ASP O 16 O1H0u 0.660 1.420 11.465 -1.000 15.757 -1.000 bad 5752 157 H ASP CB 8 C4H2s 0.770 1.880 14.975 -1.000 23.022 -1.000 bad 5753 157 H ASP CG 2 C3H0b 0.770 1.610 3.038 9.345 9.336 1.001 possible 5754 157 H ASP OD1 16 O1H0u 0.660 1.420 2.262 14.254 15.078 0.945 [OK] 5755 157 H ASP OD2 16 O1H0u 0.660 1.420 9.112 -1.000 15.582 -1.000 bad 5756 158 H LEU N 12 N3H1s 0.700 1.640 2.493 11.352 13.517 0.840 [OK] 5757 158 H LEU CA 3 C4H1s 0.770 1.880 2.631 11.755 13.055 0.900 [OK] 5758 158 H LEU C 1 C3H0s 0.770 1.610 2.566 8.772 8.781 0.999 [OK] 5759 158 H LEU O 16 O1H0u 0.660 1.420 19.286 -1.000 15.957 -1.000 bad 5760 158 H LEU CB 8 C4H2s 0.770 1.880 5.416 37.884 22.818 1.660 possible 5761 158 H LEU CG 4 C4H1b 0.770 1.880 3.028 15.767 14.704 1.072 possible 5762 158 H LEU CD1 10 C4H3u 0.770 1.880 27.545 -1.000 37.235 -1.000 bad 5763 158 H LEU CD2 10 C4H3u 0.770 1.880 5.317 53.949 37.020 1.457 possible 5764 159 H GLU N 12 N3H1s 0.700 1.640 2.398 12.795 13.461 0.951 [OK] 5765 159 H GLU CA 3 C4H1s 0.770 1.880 3.045 12.237 13.284 0.921 possible 5766 159 H GLU C 1 C3H0s 0.770 1.610 2.917 9.387 8.631 1.088 [OK] 5767 159 H GLU O 16 O1H0u 0.660 1.420 2.389 15.809 15.765 1.003 [OK] 5768 159 H GLU CB 8 C4H2s 0.770 1.880 4.300 25.860 23.214 1.114 possible 5769 159 H GLU CG 8 C4H2s 0.770 1.880 27.247 -1.000 23.304 -1.000 bad 5770 159 H GLU CD 2 C3H0b 0.770 1.610 4.008 -1.000 9.437 -1.000 bad 5771 159 H GLU OE1 16 O1H0u 0.660 1.420 35.663 -1.000 15.497 -1.000 bad 5772 159 H GLU OE2 16 O1H0u 0.660 1.420 35.514 -1.000 16.213 -1.000 bad 5773 160 H ILE N 12 N3H1s 0.700 1.640 3.295 17.259 13.493 1.279 possible 5774 160 H ILE CA 3 C4H1s 0.770 1.880 2.581 11.805 12.946 0.912 [OK] 5775 160 H ILE C 1 C3H0s 0.770 1.610 2.338 8.405 8.445 0.995 [OK] 5776 160 H ILE O 16 O1H0u 0.660 1.420 5.225 61.923 15.930 3.887 possible 5777 160 H ILE CB 4 C4H1b 0.770 1.880 8.842 -1.000 14.146 -1.000 bad 5778 160 H ILE CG1 9 C4H2b 0.770 1.880 6.993 57.952 24.071 2.408 possible 5779 160 H ILE CG2 10 C4H3u 0.770 1.880 22.782 -1.000 35.763 -1.000 bad 5780 160 H ILE CD1 10 C4H3u 0.770 1.880 38.007 -1.000 38.219 -1.000 bad 5781 161 H ALA N 12 N3H1s 0.700 1.640 3.092 11.889 13.872 0.857 possible 5782 161 H ALA CA 4 C4H1b 0.770 1.880 4.858 21.705 13.959 1.555 possible 5783 161 H ALA C 1 C3H0s 0.770 1.610 3.888 13.331 8.858 1.505 possible 5784 161 H ALA O 16 O1H0u 0.660 1.420 4.251 32.353 16.026 2.019 possible 5785 161 H ALA CB 10 C4H3u 0.770 1.880 3.386 38.714 36.551 1.059 possible 5786 162 H GLY N 12 N3H1s 0.700 1.640 4.239 19.566 14.480 1.351 possible 5787 162 H GLY CA 8 C4H2s 0.770 1.880 5.656 31.407 23.470 1.338 possible 5788 162 H GLY C 2 C3H0b 0.770 1.610 5.384 14.359 9.652 1.488 possible 5789 162 H GLY O 16 O1H0u 0.660 1.420 4.798 22.060 16.154 1.366 possible 5790 163 H LYS N 12 N3H1s 0.700 1.640 3.409 13.808 13.429 1.028 possible 5791 163 H LYS CA 3 C4H1s 0.770 1.880 2.523 12.389 13.217 0.937 [OK] 5792 163 H LYS C 1 C3H0s 0.770 1.610 2.516 8.819 8.696 1.014 [OK] 5793 163 H LYS O 16 O1H0u 0.660 1.420 2.284 12.939 15.818 0.818 [OK] 5794 163 H LYS CB 8 C4H2s 0.770 1.880 6.094 47.673 22.578 2.111 possible 5795 163 H LYS CG 8 C4H2s 0.770 1.880 5.808 30.494 22.847 1.335 possible 5796 163 H LYS CD 8 C4H2s 0.770 1.880 7.128 67.401 23.365 2.885 possible 5797 163 H LYS CE 9 C4H2b 0.770 1.880 11.505 -1.000 23.720 -1.000 bad 5798 163 H LYS NZ 14 N4H3u 0.700 1.640 44.648 -1.000 21.413 -1.000 bad 5799 164 H VAL N 12 N3H1s 0.700 1.640 2.633 14.035 13.553 1.036 [OK] 5800 164 H VAL CA 3 C4H1s 0.770 1.880 2.866 13.065 13.078 0.999 [OK] 5801 164 H VAL C 1 C3H0s 0.770 1.610 2.464 7.743 8.528 0.908 [OK] 5802 164 H VAL O 16 O1H0u 0.660 1.420 4.573 22.153 15.998 1.385 possible 5803 164 H VAL CB 4 C4H1b 0.770 1.880 2.536 13.124 14.514 0.904 [OK] 5804 164 H VAL CG1 10 C4H3u 0.770 1.880 2.964 33.798 36.320 0.931 [OK] 5805 164 H VAL CG2 10 C4H3u 0.770 1.880 3.209 39.354 36.173 1.088 possible 5806 165 H VAL N 12 N3H1s 0.700 1.640 2.381 12.242 13.553 0.903 [OK] 5807 165 H VAL CA 3 C4H1s 0.770 1.880 5.365 18.827 13.078 1.440 possible 5808 165 H VAL C 1 C3H0s 0.770 1.610 2.669 9.647 8.528 1.131 [OK] 5809 165 H VAL O 16 O1H0u 0.660 1.420 14.702 -1.000 15.998 -1.000 bad 5810 165 H VAL CB 4 C4H1b 0.770 1.880 4.811 22.831 14.514 1.573 possible 5811 165 H VAL CG1 10 C4H3u 0.770 1.880 5.176 39.219 36.320 1.080 possible 5812 165 H VAL CG2 10 C4H3u 0.770 1.880 3.986 39.141 36.173 1.082 possible 5813 166 H ASP N 12 N3H1s 0.700 1.640 2.652 15.371 13.654 1.126 [OK] 5814 166 H ASP CA 3 C4H1s 0.770 1.880 3.478 14.434 13.254 1.089 possible 5815 166 H ASP C 1 C3H0s 0.770 1.610 2.517 9.703 8.750 1.109 [OK] 5816 166 H ASP O 16 O1H0u 0.660 1.420 2.427 17.319 15.757 1.099 [OK] 5817 166 H ASP CB 8 C4H2s 0.770 1.880 3.340 27.238 23.022 1.183 possible 5818 166 H ASP CG 2 C3H0b 0.770 1.610 3.913 12.132 9.336 1.299 possible 5819 166 H ASP OD1 16 O1H0u 0.660 1.420 4.436 24.351 15.078 1.615 possible 5820 166 H ASP OD2 16 O1H0u 0.660 1.420 2.559 15.688 15.582 1.007 [OK] 5821 167 H ILE N 12 N3H1s 0.700 1.640 2.580 12.969 13.493 0.961 [OK] 5822 167 H ILE CA 3 C4H1s 0.770 1.880 2.791 14.086 12.946 1.088 [OK] 5823 167 H ILE C 1 C3H0s 0.770 1.610 2.605 8.582 8.445 1.016 [OK] 5824 167 H ILE O 16 O1H0u 0.660 1.420 2.441 14.625 15.930 0.918 [OK] 5825 167 H ILE CB 4 C4H1b 0.770 1.880 2.709 13.502 14.146 0.954 [OK] 5826 167 H ILE CG1 9 C4H2b 0.770 1.880 3.296 21.770 24.071 0.904 possible 5827 167 H ILE CG2 10 C4H3u 0.770 1.880 3.102 38.578 35.763 1.079 possible 5828 167 H ILE CD1 10 C4H3u 0.770 1.880 3.426 35.662 38.219 0.933 possible 5829 168 H TRP N 12 N3H1s 0.700 1.640 2.668 13.470 13.639 0.988 [OK] 5830 168 H TRP CA 3 C4H1s 0.770 1.880 2.471 11.570 13.323 0.868 [OK] 5831 168 H TRP C 1 C3H0s 0.770 1.610 2.407 9.105 8.687 1.048 [OK] 5832 168 H TRP O 16 O1H0u 0.660 1.420 2.572 18.632 15.797 1.179 [OK] 5833 168 H TRP CB 8 C4H2s 0.770 1.880 2.910 24.571 23.826 1.031 [OK] 5834 168 H TRP CG 2 C3H0b 0.770 1.610 2.522 10.176 9.915 1.026 [OK] 5835 168 H TRP CD1 5 C3H1s 0.770 1.760 2.805 23.430 20.597 1.138 [OK] 5836 168 H TRP CD2 2 C3H0b 0.770 1.610 2.516 9.483 10.068 0.942 [OK] 5837 168 H TRP NE1 13 N3H1b 0.700 1.640 2.604 15.129 16.723 0.905 [OK] 5838 168 H TRP CE2 2 C3H0b 0.770 1.610 2.343 9.094 9.848 0.923 [OK] 5839 168 H TRP CE3 6 C3H1b 0.770 1.760 2.867 21.484 20.383 1.054 [OK] 5840 168 H TRP CZ2 6 C3H1b 0.770 1.760 3.293 24.089 20.931 1.151 possible 5841 168 H TRP CZ3 6 C3H1b 0.770 1.760 2.913 21.058 21.429 0.983 [OK] 5842 168 H TRP CH2 6 C3H1b 0.770 1.760 2.652 17.349 21.219 0.818 [OK] 5843 169 H VAL N 12 N3H1s 0.700 1.640 2.463 12.152 13.553 0.897 [OK] 5844 169 H VAL CA 3 C4H1s 0.770 1.880 2.686 13.259 13.078 1.014 [OK] 5845 169 H VAL C 1 C3H0s 0.770 1.610 2.631 8.688 8.528 1.019 [OK] 5846 169 H VAL O 16 O1H0u 0.660 1.420 2.312 14.355 15.998 0.897 [OK] 5847 169 H VAL CB 4 C4H1b 0.770 1.880 3.016 17.311 14.514 1.193 possible 5848 169 H VAL CG1 10 C4H3u 0.770 1.880 2.969 33.788 36.320 0.930 [OK] 5849 169 H VAL CG2 10 C4H3u 0.770 1.880 2.895 32.508 36.173 0.899 [OK] 5850 170 H ASP N 12 N3H1s 0.700 1.640 2.565 14.244 13.654 1.043 [OK] 5851 170 H ASP CA 3 C4H1s 0.770 1.880 2.678 14.045 13.254 1.060 [OK] 5852 170 H ASP C 1 C3H0s 0.770 1.610 2.157 7.976 8.750 0.912 [OK] 5853 170 H ASP O 16 O1H0u 0.660 1.420 2.487 15.593 15.757 0.990 [OK] 5854 170 H ASP CB 8 C4H2s 0.770 1.880 3.021 23.280 23.022 1.011 possible 5855 170 H ASP CG 2 C3H0b 0.770 1.610 2.841 10.200 9.336 1.093 [OK] 5856 170 H ASP OD1 16 O1H0u 0.660 1.420 2.214 14.441 15.078 0.958 [OK] 5857 170 H ASP OD2 16 O1H0u 0.660 1.420 2.532 15.023 15.582 0.964 [OK] 5858 171 H ILE N 12 N3H1s 0.700 1.640 2.313 11.827 13.493 0.877 [OK] 5859 171 H ILE CA 3 C4H1s 0.770 1.880 2.665 12.353 12.946 0.954 [OK] 5860 171 H ILE C 1 C3H0s 0.770 1.610 2.356 7.715 8.445 0.914 [OK] 5861 171 H ILE O 16 O1H0u 0.660 1.420 2.261 14.599 15.930 0.916 [OK] 5862 171 H ILE CB 4 C4H1b 0.770 1.880 2.909 14.283 14.146 1.010 [OK] 5863 171 H ILE CG1 9 C4H2b 0.770 1.880 4.322 35.237 24.071 1.464 possible 5864 171 H ILE CG2 10 C4H3u 0.770 1.880 6.108 85.529 35.763 2.392 possible 5865 171 H ILE CD1 10 C4H3u 0.770 1.880 2.989 30.416 38.219 0.796 [OK] 5866 172 H PRO N 11 N3H0u 0.700 1.640 2.661 8.050 8.650 0.931 [OK] 5867 172 H PRO CA 4 C4H1b 0.770 1.880 3.095 16.529 13.828 1.195 possible 5868 172 H PRO C 1 C3H0s 0.770 1.610 2.605 9.006 8.768 1.027 [OK] 5869 172 H PRO O 16 O1H0u 0.660 1.420 2.930 26.764 15.856 1.688 [OK] 5870 172 H PRO CB 9 C4H2b 0.770 1.880 3.362 28.486 25.314 1.125 possible 5871 172 H PRO CG 9 C4H2b 0.770 1.880 2.864 21.971 25.480 0.862 [OK] 5872 172 H PRO CD 8 C4H2s 0.770 1.880 3.115 22.719 23.390 0.971 possible 5873 173 H GLU N 12 N3H1s 0.700 1.640 2.291 11.464 13.461 0.852 [OK] 5874 173 H GLU CA 3 C4H1s 0.770 1.880 3.326 17.007 13.284 1.280 possible 5875 173 H GLU C 1 C3H0s 0.770 1.610 3.071 9.562 8.631 1.108 possible 5876 173 H GLU O 16 O1H0u 0.660 1.420 2.816 19.616 15.765 1.244 [OK] 5877 173 H GLU CB 8 C4H2s 0.770 1.880 3.438 29.911 23.214 1.288 possible 5878 173 H GLU CG 8 C4H2s 0.770 1.880 3.473 29.544 23.304 1.268 possible 5879 173 H GLU CD 2 C3H0b 0.770 1.610 2.990 12.072 9.437 1.279 [OK] 5880 173 H GLU OE1 16 O1H0u 0.660 1.420 3.224 31.129 15.497 2.009 possible 5881 173 H GLU OE2 16 O1H0u 0.660 1.420 2.801 24.545 16.213 1.514 [OK] 5882 174 H GLN N 12 N3H1s 0.700 1.640 2.434 12.246 13.449 0.911 [OK] 5883 174 H GLN CA 3 C4H1s 0.770 1.880 2.975 14.250 13.231 1.077 [OK] 5884 174 H GLN C 1 C3H0s 0.770 1.610 2.520 9.081 8.744 1.039 [OK] 5885 174 H GLN O 16 O1H0u 0.660 1.420 2.446 16.561 15.767 1.050 [OK] 5886 174 H GLN CB 8 C4H2s 0.770 1.880 3.387 26.520 23.059 1.150 possible 5887 174 H GLN CG 8 C4H2s 0.770 1.880 3.282 24.905 23.218 1.073 possible 5888 174 H GLN CD 2 C3H0b 0.770 1.610 3.079 11.685 9.618 1.215 possible 5889 174 H GLN OE1 16 O1H0u 0.660 1.420 3.279 25.277 16.571 1.525 possible 5890 174 H GLN NE2 15 N3H2u 0.700 1.640 3.229 34.839 23.255 1.498 possible 5891 175 H MET N 12 N3H1s 0.700 1.640 2.805 15.935 13.405 1.189 [OK] 5892 175 H MET CA 3 C4H1s 0.770 1.880 2.692 13.723 13.194 1.040 [OK] 5893 175 H MET C 1 C3H0s 0.770 1.610 2.635 9.611 8.756 1.098 [OK] 5894 175 H MET O 16 O1H0u 0.660 1.420 2.451 15.916 16.002 0.995 [OK] 5895 175 H MET CB 8 C4H2s 0.770 1.880 3.060 24.586 23.418 1.050 possible 5896 175 H MET CG 9 C4H2b 0.770 1.880 3.249 27.818 23.830 1.167 possible 5897 175 H MET SD 19 S2H0u 1.040 1.770 3.447 38.138 30.207 1.263 possible 5898 175 H MET CE 10 C4H3u 0.770 1.880 3.104 40.364 37.003 1.091 possible 5899 176 H ALA N 12 N3H1s 0.700 1.640 2.711 17.396 13.872 1.254 [OK] 5900 176 H ALA CA 4 C4H1b 0.770 1.880 2.824 15.390 13.959 1.103 [OK] 5901 176 H ALA C 1 C3H0s 0.770 1.610 2.622 9.191 8.858 1.038 [OK] 5902 176 H ALA O 16 O1H0u 0.660 1.420 3.118 21.158 16.026 1.320 possible 5903 176 H ALA CB 10 C4H3u 0.770 1.880 3.484 44.761 36.551 1.225 possible 5904 177 H ARG N 12 N3H1s 0.700 1.640 2.821 14.899 13.486 1.105 [OK] 5905 177 H ARG CA 3 C4H1s 0.770 1.880 2.964 14.532 13.310 1.092 [OK] 5906 177 H ARG C 1 C3H0s 0.770 1.610 2.460 8.665 8.779 0.987 [OK] 5907 177 H ARG O 16 O1H0u 0.660 1.420 2.642 17.557 15.916 1.103 [OK] 5908 177 H ARG CB 8 C4H2s 0.770 1.880 2.958 24.590 22.833 1.077 [OK] 5909 177 H ARG CG 8 C4H2s 0.770 1.880 2.942 24.612 23.273 1.058 [OK] 5910 177 H ARG CD 8 C4H2s 0.770 1.880 3.098 22.076 22.849 0.966 possible 5911 177 H ARG NE 13 N3H1b 0.700 1.640 2.816 18.727 15.019 1.247 [OK] 5912 177 H ARG CZ 2 C3H0b 0.770 1.610 2.690 10.310 9.678 1.065 [OK] 5913 177 H ARG NH1 15 N3H2u 0.700 1.640 3.188 25.942 22.056 1.176 possible 5914 177 H ARG NH2 15 N3H2u 0.700 1.640 3.227 28.310 23.132 1.224 possible 5915 178 H PHE N 12 N3H1s 0.700 1.640 2.755 15.556 13.524 1.150 [OK] 5916 178 H PHE CA 3 C4H1s 0.770 1.880 2.604 12.499 13.371 0.935 [OK] 5917 178 H PHE C 1 C3H0s 0.770 1.610 2.645 9.641 8.697 1.108 [OK] 5918 178 H PHE O 16 O1H0u 0.660 1.420 2.563 18.562 15.961 1.163 [OK] 5919 178 H PHE CB 8 C4H2s 0.770 1.880 2.951 22.841 23.623 0.967 [OK] 5920 178 H PHE CG 2 C3H0b 0.770 1.610 2.511 9.293 9.684 0.960 [OK] 5921 178 H PHE CD1 5 C3H1s 0.770 1.760 2.849 21.764 20.325 1.071 [OK] 5922 178 H PHE CD2 6 C3H1b 0.770 1.760 2.781 19.091 20.948 0.911 [OK] 5923 178 H PHE CE1 6 C3H1b 0.770 1.760 3.042 27.500 21.532 1.277 possible 5924 178 H PHE CE2 6 C3H1b 0.770 1.760 3.215 27.511 21.625 1.272 possible 5925 178 H PHE CZ 6 C3H1b 0.770 1.760 3.364 29.036 21.555 1.347 possible 5926 179 H LEU N 12 N3H1s 0.700 1.640 2.748 13.747 13.517 1.017 [OK] 5927 179 H LEU CA 3 C4H1s 0.770 1.880 2.603 12.993 13.055 0.995 [OK] 5928 179 H LEU C 1 C3H0s 0.770 1.610 2.624 9.418 8.781 1.073 [OK] 5929 179 H LEU O 16 O1H0u 0.660 1.420 2.378 14.864 15.957 0.931 [OK] 5930 179 H LEU CB 8 C4H2s 0.770 1.880 3.256 26.288 22.818 1.152 possible 5931 179 H LEU CG 4 C4H1b 0.770 1.880 3.247 15.715 14.704 1.069 possible 5932 179 H LEU CD1 10 C4H3u 0.770 1.880 3.616 42.117 37.235 1.131 possible 5933 179 H LEU CD2 10 C4H3u 0.770 1.880 3.382 35.592 37.020 0.961 possible 5934 180 H GLU N 12 N3H1s 0.700 1.640 2.677 16.876 13.461 1.254 [OK] 5935 180 H GLU CA 3 C4H1s 0.770 1.880 2.364 12.032 13.284 0.906 [OK] 5936 180 H GLU C 1 C3H0s 0.770 1.610 2.382 8.225 8.631 0.953 [OK] 5937 180 H GLU O 16 O1H0u 0.660 1.420 2.526 16.954 15.765 1.075 [OK] 5938 180 H GLU CB 8 C4H2s 0.770 1.880 2.815 22.561 23.214 0.972 [OK] 5939 180 H GLU CG 8 C4H2s 0.770 1.880 2.918 22.381 23.304 0.960 [OK] 5940 180 H GLU CD 2 C3H0b 0.770 1.610 3.518 11.732 9.437 1.243 possible 5941 180 H GLU OE1 16 O1H0u 0.660 1.420 3.319 26.626 15.497 1.718 possible 5942 180 H GLU OE2 16 O1H0u 0.660 1.420 5.033 42.331 16.213 2.611 possible 5943 181 H VAL N 12 N3H1s 0.700 1.640 2.384 12.258 13.553 0.904 [OK] 5944 181 H VAL CA 3 C4H1s 0.770 1.880 2.706 12.339 13.078 0.943 [OK] 5945 181 H VAL C 1 C3H0s 0.770 1.610 2.346 8.636 8.528 1.013 [OK] 5946 181 H VAL O 16 O1H0u 0.660 1.420 2.542 14.890 15.998 0.931 [OK] 5947 181 H VAL CB 4 C4H1b 0.770 1.880 3.408 17.760 14.514 1.224 possible 5948 181 H VAL CG1 10 C4H3u 0.770 1.880 3.157 37.948 36.320 1.045 possible 5949 181 H VAL CG2 10 C4H3u 0.770 1.880 3.614 44.028 36.173 1.217 possible 5950 182 H GLU N 12 N3H1s 0.700 1.640 2.288 12.255 13.461 0.910 [OK] 5951 182 H GLU CA 3 C4H1s 0.770 1.880 2.440 11.664 13.284 0.878 [OK] 5952 182 H GLU C 1 C3H0s 0.770 1.610 2.627 9.203 8.631 1.066 [OK] 5953 182 H GLU O 16 O1H0u 0.660 1.420 4.474 22.455 15.765 1.424 possible 5954 182 H GLU CB 8 C4H2s 0.770 1.880 3.101 20.845 23.214 0.898 possible 5955 182 H GLU CG 8 C4H2s 0.770 1.880 3.174 26.085 23.304 1.119 possible 5956 182 H GLU CD 2 C3H0b 0.770 1.610 3.349 10.658 9.437 1.129 possible 5957 182 H GLU OE1 16 O1H0u 0.660 1.420 22.414 -1.000 15.497 -1.000 bad 5958 182 H GLU OE2 16 O1H0u 0.660 1.420 8.777 -1.000 16.213 -1.000 bad 5959 183 H LEU N 12 N3H1s 0.700 1.640 2.529 12.876 13.517 0.953 [OK] 5960 183 H LEU CA 3 C4H1s 0.770 1.880 2.780 13.727 13.055 1.051 [OK] 5961 183 H LEU C 1 C3H0s 0.770 1.610 3.881 10.440 8.781 1.189 possible 5962 183 H LEU O 16 O1H0u 0.660 1.420 4.264 25.744 15.957 1.613 possible 5963 183 H LEU CB 8 C4H2s 0.770 1.880 4.626 28.948 22.818 1.269 possible 5964 183 H LEU CG 4 C4H1b 0.770 1.880 2.991 14.657 14.704 0.997 [OK] 5965 183 H LEU CD1 10 C4H3u 0.770 1.880 3.455 35.674 37.235 0.958 possible 5966 183 H LEU CD2 10 C4H3u 0.770 1.880 4.687 46.776 37.020 1.264 possible 5967 184 H LYS N 12 N3H1s 0.700 1.640 4.528 28.786 13.429 2.144 possible 5968 184 H LYS CA 3 C4H1s 0.770 1.880 13.093 -1.000 13.217 -1.000 bad 5969 184 H LYS C 1 C3H0s 0.770 1.610 2.119 6.974 8.696 0.802 [OK] 5970 184 H LYS O 16 O1H0u 0.660 1.420 21.989 -1.000 15.818 -1.000 bad 5971 184 H LYS CB 8 C4H2s 0.770 1.880 24.321 -1.000 22.578 -1.000 bad 5972 184 H LYS CG 8 C4H2s 0.770 1.880 16.345 -1.000 22.847 -1.000 bad 5973 184 H LYS CD 8 C4H2s 0.770 1.880 32.126 -1.000 23.365 -1.000 bad 5974 184 H LYS CE 9 C4H2b 0.770 1.880 37.288 -1.000 23.720 -1.000 bad 5975 184 H LYS NZ 14 N4H3u 0.700 1.640 56.556 -1.000 21.413 -1.000 bad 5976 185 H ASP N 12 N3H1s 0.700 1.640 4.712 23.567 13.654 1.726 possible 5977 185 H ASP CA 3 C4H1s 0.770 1.880 11.999 -1.000 13.254 -1.000 bad 5978 185 H ASP C 1 C3H0s 0.770 1.610 2.693 8.374 8.750 0.957 [OK] 5979 185 H ASP O 16 O1H0u 0.660 1.420 28.670 -1.000 15.757 -1.000 bad 5980 185 H ASP CB 8 C4H2s 0.770 1.880 4.374 26.483 23.022 1.150 possible 5981 185 H ASP CG 2 C3H0b 0.770 1.610 3.988 9.442 9.336 1.011 possible 5982 185 H ASP OD1 16 O1H0u 0.660 1.420 19.644 -1.000 15.078 -1.000 bad 5983 185 H ASP OD2 16 O1H0u 0.660 1.420 40.720 -1.000 15.582 -1.000 bad 5984 186 H GLY N 12 N3H1s 0.700 1.640 2.834 12.707 14.480 0.878 [OK] 5985 186 H GLY CA 8 C4H2s 0.770 1.880 21.551 -1.000 23.470 -1.000 bad 5986 186 H GLY C 2 C3H0b 0.770 1.610 4.058 12.275 9.652 1.272 possible 5987 186 H GLY O 16 O1H0u 0.660 1.420 27.654 -1.000 16.154 -1.000 bad 5988 187 H SER N 12 N3H1s 0.700 1.640 4.114 14.298 13.808 1.035 possible 5989 187 H SER CA 3 C4H1s 0.770 1.880 8.904 -1.000 13.351 -1.000 bad 5990 187 H SER C 1 C3H0s 0.770 1.610 2.520 9.452 8.858 1.067 [OK] 5991 187 H SER O 16 O1H0u 0.660 1.420 2.304 14.994 15.860 0.945 [OK] 5992 187 H SER CB 8 C4H2s 0.770 1.880 25.273 -1.000 23.599 -1.000 bad 5993 187 H SER OG 17 O2H1u 0.660 1.460 3.982 20.236 18.021 1.123 possible 5994 188 H THR N 12 N3H1s 0.700 1.640 5.174 26.802 13.544 1.979 possible 5995 188 H THR CA 3 C4H1s 0.770 1.880 2.523 11.360 13.025 0.872 [OK] 5996 188 H THR C 1 C3H0s 0.770 1.610 2.336 8.943 8.685 1.030 [OK] 5997 188 H THR O 16 O1H0u 0.660 1.420 4.852 24.797 15.795 1.570 possible 5998 188 H THR CB 4 C4H1b 0.770 1.880 2.799 12.516 14.687 0.852 [OK] 5999 188 H THR OG1 17 O2H1u 0.660 1.460 5.347 42.330 17.610 2.404 possible 6000 188 H THR CG2 10 C4H3u 0.770 1.880 5.541 48.185 36.265 1.329 possible 6001 189 H ARG N 12 N3H1s 0.700 1.640 2.767 14.265 13.486 1.058 [OK] 6002 189 H ARG CA 3 C4H1s 0.770 1.880 2.449 11.737 13.310 0.882 [OK] 6003 189 H ARG C 1 C3H0s 0.770 1.610 2.574 9.448 8.779 1.076 [OK] 6004 189 H ARG O 16 O1H0u 0.660 1.420 2.454 15.764 15.916 0.990 [OK] 6005 189 H ARG CB 8 C4H2s 0.770 1.880 3.421 26.553 22.833 1.163 possible 6006 189 H ARG CG 8 C4H2s 0.770 1.880 3.079 21.873 23.273 0.940 possible 6007 189 H ARG CD 8 C4H2s 0.770 1.880 2.809 21.419 22.849 0.937 [OK] 6008 189 H ARG NE 13 N3H1b 0.700 1.640 2.510 14.782 15.019 0.984 [OK] 6009 189 H ARG CZ 2 C3H0b 0.770 1.610 2.413 8.395 9.678 0.867 [OK] 6010 189 H ARG NH1 15 N3H2u 0.700 1.640 3.460 23.726 22.056 1.076 possible 6011 189 H ARG NH2 15 N3H2u 0.700 1.640 17.071 -1.000 23.132 -1.000 bad 6012 190 H LEU N 12 N3H1s 0.700 1.640 2.577 12.770 13.517 0.945 [OK] 6013 190 H LEU CA 3 C4H1s 0.770 1.880 2.506 11.277 13.055 0.864 [OK] 6014 190 H LEU C 1 C3H0s 0.770 1.610 2.584 9.900 8.781 1.127 [OK] 6015 190 H LEU O 16 O1H0u 0.660 1.420 2.517 19.421 15.957 1.217 [OK] 6016 190 H LEU CB 8 C4H2s 0.770 1.880 2.910 22.981 22.818 1.007 [OK] 6017 190 H LEU CG 4 C4H1b 0.770 1.880 2.848 16.811 14.704 1.143 [OK] 6018 190 H LEU CD1 10 C4H3u 0.770 1.880 3.089 37.974 37.235 1.020 possible 6019 190 H LEU CD2 10 C4H3u 0.770 1.880 3.121 33.547 37.020 0.906 possible 6020 191 H LEU N 12 N3H1s 0.700 1.640 2.549 12.444 13.517 0.921 [OK] 6021 191 H LEU CA 3 C4H1s 0.770 1.880 2.895 11.778 13.055 0.902 [OK] 6022 191 H LEU C 1 C3H0s 0.770 1.610 2.602 8.821 8.781 1.005 [OK] 6023 191 H LEU O 16 O1H0u 0.660 1.420 2.650 14.757 15.957 0.925 [OK] 6024 191 H LEU CB 8 C4H2s 0.770 1.880 3.386 24.661 22.818 1.081 possible 6025 191 H LEU CG 4 C4H1b 0.770 1.880 3.616 19.390 14.704 1.319 possible 6026 191 H LEU CD1 10 C4H3u 0.770 1.880 3.173 40.229 37.235 1.080 possible 6027 191 H LEU CD2 10 C4H3u 0.770 1.880 3.372 38.720 37.020 1.046 possible 6028 192 H PRO N 11 N3H0u 0.700 1.640 2.596 8.659 8.650 1.001 [OK] 6029 192 H PRO CA 4 C4H1b 0.770 1.880 2.902 12.928 13.828 0.935 [OK] 6030 192 H PRO C 1 C3H0s 0.770 1.610 2.534 8.429 8.768 0.961 [OK] 6031 192 H PRO O 16 O1H0u 0.660 1.420 2.723 18.332 15.856 1.156 [OK] 6032 192 H PRO CB 9 C4H2b 0.770 1.880 3.362 31.759 25.314 1.255 possible 6033 192 H PRO CG 9 C4H2b 0.770 1.880 2.898 25.464 25.480 0.999 [OK] 6034 192 H PRO CD 8 C4H2s 0.770 1.880 2.924 26.929 23.390 1.151 [OK] 6035 193 H MET N 12 N3H1s 0.700 1.640 2.703 13.180 13.405 0.983 [OK] 6036 193 H MET CA 3 C4H1s 0.770 1.880 3.104 14.271 13.194 1.082 possible 6037 193 H MET C 1 C3H0s 0.770 1.610 3.028 9.389 8.756 1.072 possible 6038 193 H MET O 16 O1H0u 0.660 1.420 2.748 17.788 16.002 1.112 [OK] 6039 193 H MET CB 8 C4H2s 0.770 1.880 3.128 23.422 23.418 1.000 possible 6040 193 H MET CG 9 C4H2b 0.770 1.880 3.934 33.696 23.830 1.414 possible 6041 193 H MET SD 19 S2H0u 1.040 1.770 3.351 34.524 30.207 1.143 possible 6042 193 H MET CE 10 C4H3u 0.770 1.880 3.267 37.228 37.003 1.006 possible 6043 194 H GLN N 12 N3H1s 0.700 1.640 3.040 12.770 13.449 0.950 possible 6044 194 H GLN CA 3 C4H1s 0.770 1.880 3.236 14.516 13.231 1.097 possible 6045 194 H GLN C 1 C3H0s 0.770 1.610 2.509 9.314 8.744 1.065 [OK] 6046 194 H GLN O 16 O1H0u 0.660 1.420 3.188 27.831 15.767 1.765 possible 6047 194 H GLN CB 8 C4H2s 0.770 1.880 3.582 28.813 23.059 1.250 possible 6048 194 H GLN CG 8 C4H2s 0.770 1.880 3.115 27.882 23.218 1.201 possible 6049 194 H GLN CD 2 C3H0b 0.770 1.610 2.752 10.102 9.618 1.050 [OK] 6050 194 H GLN OE1 16 O1H0u 0.660 1.420 2.912 20.542 16.571 1.240 [OK] 6051 194 H GLN NE2 15 N3H2u 0.700 1.640 2.886 33.980 23.255 1.461 [OK] 6052 195 H MET N 12 N3H1s 0.700 1.640 2.612 12.677 13.405 0.946 [OK] 6053 195 H MET CA 3 C4H1s 0.770 1.880 3.106 14.238 13.194 1.079 possible 6054 195 H MET C 1 C3H0s 0.770 1.610 2.588 9.332 8.756 1.066 [OK] 6055 195 H MET O 16 O1H0u 0.660 1.420 2.751 17.860 16.002 1.116 [OK] 6056 195 H MET CB 8 C4H2s 0.770 1.880 3.231 25.185 23.418 1.075 possible 6057 195 H MET CG 9 C4H2b 0.770 1.880 2.949 24.040 23.830 1.009 [OK] 6058 195 H MET SD 19 S2H0u 1.040 1.770 3.204 33.619 30.207 1.113 possible 6059 195 H MET CE 10 C4H3u 0.770 1.880 3.298 41.716 37.003 1.127 possible 6060 196 H VAL N 12 N3H1s 0.700 1.640 2.561 14.593 13.553 1.077 [OK] 6061 196 H VAL CA 3 C4H1s 0.770 1.880 2.626 12.820 13.078 0.980 [OK] 6062 196 H VAL C 1 C3H0s 0.770 1.610 2.481 9.213 8.528 1.080 [OK] 6063 196 H VAL O 16 O1H0u 0.660 1.420 2.504 15.789 15.998 0.987 [OK] 6064 196 H VAL CB 4 C4H1b 0.770 1.880 2.778 14.598 14.514 1.006 [OK] 6065 196 H VAL CG1 10 C4H3u 0.770 1.880 3.504 36.743 36.320 1.012 possible 6066 196 H VAL CG2 10 C4H3u 0.770 1.880 3.273 33.619 36.173 0.929 possible 6067 197 H LYS N 12 N3H1s 0.700 1.640 2.677 14.742 13.429 1.098 [OK] 6068 197 H LYS CA 3 C4H1s 0.770 1.880 2.954 13.293 13.217 1.006 [OK] 6069 197 H LYS C 1 C3H0s 0.770 1.610 2.508 9.386 8.696 1.079 [OK] 6070 197 H LYS O 16 O1H0u 0.660 1.420 2.353 15.929 15.818 1.007 [OK] 6071 197 H LYS CB 8 C4H2s 0.770 1.880 3.402 29.398 22.578 1.302 possible 6072 197 H LYS CG 8 C4H2s 0.770 1.880 3.790 37.439 22.847 1.639 possible 6073 197 H LYS CD 8 C4H2s 0.770 1.880 4.252 34.682 23.365 1.484 possible 6074 197 H LYS CE 9 C4H2b 0.770 1.880 31.635 -1.000 23.720 -1.000 bad 6075 197 H LYS NZ 14 N4H3u 0.700 1.640 42.081 -1.000 21.413 -1.000 bad 6076 198 H VAL N 12 N3H1s 0.700 1.640 2.658 14.684 13.553 1.083 [OK] 6077 198 H VAL CA 3 C4H1s 0.770 1.880 2.633 11.466 13.078 0.877 [OK] 6078 198 H VAL C 1 C3H0s 0.770 1.610 2.614 8.053 8.528 0.944 [OK] 6079 198 H VAL O 16 O1H0u 0.660 1.420 6.489 53.666 15.998 3.355 possible 6080 198 H VAL CB 4 C4H1b 0.770 1.880 3.264 16.435 14.514 1.132 possible 6081 198 H VAL CG1 10 C4H3u 0.770 1.880 3.195 36.441 36.320 1.003 possible 6082 198 H VAL CG2 10 C4H3u 0.770 1.880 2.985 36.342 36.173 1.005 [OK] 6083 199 H GLN N 12 N3H1s 0.700 1.640 2.477 13.550 13.449 1.007 [OK] 6084 199 H GLN CA 3 C4H1s 0.770 1.880 5.811 21.202 13.231 1.602 possible 6085 199 H GLN C 1 C3H0s 0.770 1.610 4.943 13.892 8.744 1.589 possible 6086 199 H GLN O 16 O1H0u 0.660 1.420 2.957 18.881 15.767 1.198 [OK] 6087 199 H GLN CB 8 C4H2s 0.770 1.880 4.205 24.934 23.059 1.081 possible 6088 199 H GLN CG 8 C4H2s 0.770 1.880 5.146 36.799 23.218 1.585 possible 6089 199 H GLN CD 2 C3H0b 0.770 1.610 4.535 14.770 9.618 1.536 possible 6090 199 H GLN OE1 16 O1H0u 0.660 1.420 5.195 24.851 16.571 1.500 possible 6091 199 H GLN NE2 15 N3H2u 0.700 1.640 27.259 -1.000 23.255 -1.000 bad 6092 200 H SER N 12 N3H1s 0.700 1.640 6.040 24.312 13.808 1.761 possible 6093 200 H SER CA 3 C4H1s 0.770 1.880 5.062 24.798 13.351 1.857 possible 6094 200 H SER C 1 C3H0s 0.770 1.610 2.500 8.589 8.858 0.970 [OK] 6095 200 H SER O 16 O1H0u 0.660 1.420 17.695 -1.000 15.860 -1.000 bad 6096 200 H SER CB 8 C4H2s 0.770 1.880 42.841 -1.000 23.599 -1.000 bad 6097 200 H SER OG 17 O2H1u 0.660 1.460 23.568 -1.000 18.021 -1.000 bad 6098 201 H ASN N 12 N3H1s 0.700 1.640 2.460 13.133 13.525 0.971 [OK] 6099 201 H ASN CA 3 C4H1s 0.770 1.880 7.636 25.307 13.052 1.939 possible 6100 201 H ASN C 1 C3H0s 0.770 1.610 2.475 8.666 8.853 0.979 [OK] 6101 201 H ASN O 16 O1H0u 0.660 1.420 9.162 -1.000 15.857 -1.000 bad 6102 201 H ASN CB 8 C4H2s 0.770 1.880 29.751 -1.000 22.756 -1.000 bad 6103 201 H ASN CG 2 C3H0b 0.770 1.610 2.836 -1.000 9.537 -1.000 bad 6104 201 H ASN OD1 16 O1H0u 0.660 1.420 12.461 -1.000 16.247 -1.000 bad 6105 201 H ASN ND2 15 N3H2u 0.700 1.640 14.696 -1.000 22.525 -1.000 bad 6106 202 H ARG N 12 N3H1s 0.700 1.640 2.671 13.365 13.486 0.991 [OK] 6107 202 H ARG CA 3 C4H1s 0.770 1.880 2.512 13.127 13.310 0.986 [OK] 6108 202 H ARG C 1 C3H0s 0.770 1.610 2.599 8.413 8.779 0.958 [OK] 6109 202 H ARG O 16 O1H0u 0.660 1.420 2.439 15.080 15.916 0.947 [OK] 6110 202 H ARG CB 8 C4H2s 0.770 1.880 4.218 28.991 22.833 1.270 possible 6111 202 H ARG CG 8 C4H2s 0.770 1.880 3.555 24.057 23.273 1.034 possible 6112 202 H ARG CD 8 C4H2s 0.770 1.880 2.813 21.887 22.849 0.958 [OK] 6113 202 H ARG NE 13 N3H1b 0.700 1.640 3.809 20.259 15.019 1.349 possible 6114 202 H ARG CZ 2 C3H0b 0.770 1.610 2.440 9.164 9.678 0.947 [OK] 6115 202 H ARG NH1 15 N3H2u 0.700 1.640 17.521 -1.000 22.056 -1.000 bad 6116 202 H ARG NH2 15 N3H2u 0.700 1.640 36.467 -1.000 23.132 -1.000 bad 6117 203 H VAL N 12 N3H1s 0.700 1.640 2.311 12.227 13.553 0.902 [OK] 6118 203 H VAL CA 3 C4H1s 0.770 1.880 2.741 12.003 13.078 0.918 [OK] 6119 203 H VAL C 1 C3H0s 0.770 1.610 2.293 7.496 8.528 0.879 [OK] 6120 203 H VAL O 16 O1H0u 0.660 1.420 2.326 15.470 15.998 0.967 [OK] 6121 203 H VAL CB 4 C4H1b 0.770 1.880 2.964 15.954 14.514 1.099 [OK] 6122 203 H VAL CG1 10 C4H3u 0.770 1.880 3.616 38.966 36.320 1.073 possible 6123 203 H VAL CG2 10 C4H3u 0.770 1.880 2.918 33.464 36.173 0.925 [OK] 6124 204 H HIS N 12 N3H1s 0.700 1.640 2.599 14.499 13.532 1.071 [OK] 6125 204 H HIS CA 3 C4H1s 0.770 1.880 2.619 13.131 13.335 0.985 [OK] 6126 204 H HIS C 1 C3H0s 0.770 1.610 2.313 8.668 8.760 0.990 [OK] 6127 204 H HIS O 16 O1H0u 0.660 1.420 2.487 16.877 15.855 1.064 [OK] 6128 204 H HIS CB 8 C4H2s 0.770 1.880 3.423 28.160 23.443 1.201 possible 6129 204 H HIS CG 2 C3H0b 0.770 1.610 3.561 11.764 9.870 1.192 possible 6130 204 H HIS ND1 13 N3H1b 0.700 1.640 3.177 15.750 15.483 1.017 possible 6131 204 H HIS CD2 5 C3H1s 0.770 1.760 4.459 28.375 20.938 1.355 possible 6132 204 H HIS CE1 5 C3H1s 0.770 1.760 4.818 29.141 20.491 1.422 possible 6133 204 H HIS NE2 13 N3H1b 0.700 1.640 5.193 37.027 15.758 2.350 possible 6134 205 H VAL N 12 N3H1s 0.700 1.640 2.676 14.062 13.553 1.038 [OK] 6135 205 H VAL CA 3 C4H1s 0.770 1.880 2.729 13.194 13.078 1.009 [OK] 6136 205 H VAL C 1 C3H0s 0.770 1.610 2.325 8.417 8.528 0.987 [OK] 6137 205 H VAL O 16 O1H0u 0.660 1.420 2.511 16.893 15.998 1.056 [OK] 6138 205 H VAL CB 4 C4H1b 0.770 1.880 2.765 13.121 14.514 0.904 [OK] 6139 205 H VAL CG1 10 C4H3u 0.770 1.880 3.252 43.220 36.320 1.190 possible 6140 205 H VAL CG2 10 C4H3u 0.770 1.880 3.480 32.908 36.173 0.910 possible 6141 206 H ASN N 12 N3H1s 0.700 1.640 2.497 14.431 13.525 1.067 [OK] 6142 206 H ASN CA 3 C4H1s 0.770 1.880 2.649 12.490 13.052 0.957 [OK] 6143 206 H ASN C 1 C3H0s 0.770 1.610 2.495 9.151 8.853 1.034 [OK] 6144 206 H ASN O 16 O1H0u 0.660 1.420 2.491 13.132 15.857 0.828 [OK] 6145 206 H ASN CB 8 C4H2s 0.770 1.880 3.436 28.412 22.756 1.249 possible 6146 206 H ASN CG 2 C3H0b 0.770 1.610 3.213 10.506 9.537 1.102 possible 6147 206 H ASN OD1 16 O1H0u 0.660 1.420 5.812 58.206 16.247 3.583 possible 6148 206 H ASN ND2 15 N3H2u 0.700 1.640 3.988 44.446 22.525 1.973 possible 6149 207 H ALA N 12 N3H1s 0.700 1.640 2.727 14.456 13.872 1.042 [OK] 6150 207 H ALA CA 4 C4H1b 0.770 1.880 2.638 12.556 13.959 0.899 [OK] 6151 207 H ALA C 1 C3H0s 0.770 1.610 2.287 8.399 8.858 0.948 [OK] 6152 207 H ALA O 16 O1H0u 0.660 1.420 2.287 14.322 16.026 0.894 [OK] 6153 207 H ALA CB 10 C4H3u 0.770 1.880 3.219 34.839 36.551 0.953 possible 6154 208 H LEU N 12 N3H1s 0.700 1.640 2.710 15.467 13.517 1.144 [OK] 6155 208 H LEU CA 3 C4H1s 0.770 1.880 2.731 12.471 13.055 0.955 [OK] 6156 208 H LEU C 1 C3H0s 0.770 1.610 2.377 8.482 8.781 0.966 [OK] 6157 208 H LEU O 16 O1H0u 0.660 1.420 2.221 15.371 15.957 0.963 [OK] 6158 208 H LEU CB 8 C4H2s 0.770 1.880 2.814 22.969 22.818 1.007 [OK] 6159 208 H LEU CG 4 C4H1b 0.770 1.880 3.189 16.125 14.704 1.097 possible 6160 208 H LEU CD1 10 C4H3u 0.770 1.880 3.118 38.617 37.235 1.037 possible 6161 208 H LEU CD2 10 C4H3u 0.770 1.880 2.891 36.819 37.020 0.995 [OK] 6162 209 H SER N 12 N3H1s 0.700 1.640 2.459 14.417 13.808 1.044 [OK] 6163 209 H SER CA 3 C4H1s 0.770 1.880 2.496 13.002 13.351 0.974 [OK] 6164 209 H SER C 1 C3H0s 0.770 1.610 2.274 8.497 8.858 0.959 [OK] 6165 209 H SER O 16 O1H0u 0.660 1.420 2.346 14.078 15.860 0.888 [OK] 6166 209 H SER CB 8 C4H2s 0.770 1.880 3.162 23.089 23.599 0.978 possible 6167 209 H SER OG 17 O2H1u 0.660 1.460 2.496 16.507 18.021 0.916 [OK] 6168 210 H SER N 12 N3H1s 0.700 1.640 2.451 13.648 13.808 0.988 [OK] 6169 210 H SER CA 3 C4H1s 0.770 1.880 2.877 12.802 13.351 0.959 [OK] 6170 210 H SER C 1 C3H0s 0.770 1.610 4.474 9.564 8.858 1.080 possible 6171 210 H SER O 16 O1H0u 0.660 1.420 6.783 38.777 15.860 2.445 possible 6172 210 H SER CB 8 C4H2s 0.770 1.880 4.996 30.375 23.599 1.287 possible 6173 210 H SER OG 17 O2H1u 0.660 1.460 11.265 -1.000 18.021 -1.000 bad 6174 211 H ASP N 12 N3H1s 0.700 1.640 4.207 16.245 13.654 1.190 possible 6175 211 H ASP CA 3 C4H1s 0.770 1.880 13.779 -1.000 13.254 -1.000 bad 6176 211 H ASP C 1 C3H0s 0.770 1.610 3.465 9.962 8.750 1.139 possible 6177 211 H ASP O 16 O1H0u 0.660 1.420 19.109 -1.000 15.757 -1.000 bad 6178 211 H ASP CB 8 C4H2s 0.770 1.880 35.941 -1.000 23.022 -1.000 bad 6179 211 H ASP CG 2 C3H0b 0.770 1.610 7.517 18.494 9.336 1.981 possible 6180 211 H ASP OD1 16 O1H0u 0.660 1.420 5.400 24.966 15.078 1.656 possible 6181 211 H ASP OD2 16 O1H0u 0.660 1.420 15.181 -1.000 15.582 -1.000 bad 6182 212 H LEU N 12 N3H1s 0.700 1.640 2.365 11.942 13.517 0.883 [OK] 6183 212 H LEU CA 3 C4H1s 0.770 1.880 3.591 14.062 13.055 1.077 possible 6184 212 H LEU C 1 C3H0s 0.770 1.610 2.687 9.982 8.781 1.137 [OK] 6185 212 H LEU O 16 O1H0u 0.660 1.420 2.673 13.979 15.957 0.876 [OK] 6186 212 H LEU CB 8 C4H2s 0.770 1.880 2.885 23.632 22.818 1.036 [OK] 6187 212 H LEU CG 4 C4H1b 0.770 1.880 2.769 13.724 14.704 0.933 [OK] 6188 212 H LEU CD1 10 C4H3u 0.770 1.880 3.805 38.760 37.235 1.041 possible 6189 212 H LEU CD2 10 C4H3u 0.770 1.880 4.220 52.182 37.020 1.410 possible 6190 213 H PHE N 12 N3H1s 0.700 1.640 2.860 14.268 13.524 1.055 [OK] 6191 213 H PHE CA 3 C4H1s 0.770 1.880 2.556 12.470 13.371 0.933 [OK] 6192 213 H PHE C 1 C3H0s 0.770 1.610 2.287 8.416 8.697 0.968 [OK] 6193 213 H PHE O 16 O1H0u 0.660 1.420 2.540 14.449 15.961 0.905 [OK] 6194 213 H PHE CB 8 C4H2s 0.770 1.880 4.104 27.395 23.623 1.160 possible 6195 213 H PHE CG 2 C3H0b 0.770 1.610 2.572 9.707 9.684 1.002 [OK] 6196 213 H PHE CD1 5 C3H1s 0.770 1.760 2.625 16.010 20.325 0.788 [OK] 6197 213 H PHE CD2 6 C3H1b 0.770 1.760 3.238 25.550 20.948 1.220 possible 6198 213 H PHE CE1 6 C3H1b 0.770 1.760 2.718 17.289 21.532 0.803 [OK] 6199 213 H PHE CE2 6 C3H1b 0.770 1.760 3.005 24.280 21.625 1.123 possible 6200 213 H PHE CZ 6 C3H1b 0.770 1.760 2.733 21.175 21.555 0.982 [OK] 6201 214 H ALA N 12 N3H1s 0.700 1.640 4.197 20.623 13.872 1.487 possible 6202 214 H ALA CA 4 C4H1b 0.770 1.880 3.128 14.923 13.959 1.069 possible 6203 214 H ALA C 1 C3H0s 0.770 1.610 4.158 9.201 8.858 1.039 possible 6204 214 H ALA O 16 O1H0u 0.660 1.420 6.159 -1.000 16.026 -1.000 bad 6205 214 H ALA CB 10 C4H3u 0.770 1.880 54.812 -1.000 36.551 -1.000 bad 6206 215 H GLY N 12 N3H1s 0.700 1.640 5.374 22.746 14.480 1.571 possible 6207 215 H GLY CA 8 C4H2s 0.770 1.880 6.122 66.779 23.470 2.845 possible 6208 215 H GLY C 2 C3H0b 0.770 1.610 2.327 8.695 9.652 0.901 [OK] 6209 215 H GLY O 16 O1H0u 0.660 1.420 4.598 32.580 16.154 2.017 possible 6210 216 H ILE N 12 N3H1s 0.700 1.640 2.233 11.788 13.493 0.874 [OK] 6211 216 H ILE CA 3 C4H1s 0.770 1.880 2.384 10.481 12.946 0.810 [OK] 6212 216 H ILE C 1 C3H0s 0.770 1.610 2.171 7.344 8.445 0.870 [OK] 6213 216 H ILE O 16 O1H0u 0.660 1.420 2.136 13.576 15.930 0.852 [OK] 6214 216 H ILE CB 4 C4H1b 0.770 1.880 2.364 11.190 14.146 0.791 [OK] 6215 216 H ILE CG1 9 C4H2b 0.770 1.880 2.602 18.850 24.071 0.783 [OK] 6216 216 H ILE CG2 10 C4H3u 0.770 1.880 2.995 36.598 35.763 1.023 [OK] 6217 216 H ILE CD1 10 C4H3u 0.770 1.880 3.344 34.136 38.219 0.893 possible 6218 217 H PRO N 11 N3H0u 0.700 1.640 2.405 7.965 8.650 0.921 [OK] 6219 217 H PRO CA 4 C4H1b 0.770 1.880 4.367 17.041 13.828 1.232 possible 6220 217 H PRO C 1 C3H0s 0.770 1.610 2.862 9.018 8.768 1.028 [OK] 6221 217 H PRO O 16 O1H0u 0.660 1.420 2.825 18.176 15.856 1.146 [OK] 6222 217 H PRO CB 9 C4H2b 0.770 1.880 6.105 51.240 25.314 2.024 possible 6223 217 H PRO CG 9 C4H2b 0.770 1.880 5.953 56.601 25.480 2.221 possible 6224 217 H PRO CD 8 C4H2s 0.770 1.880 2.837 21.813 23.390 0.933 [OK] 6225 218 H THR N 12 N3H1s 0.700 1.640 4.496 19.541 13.544 1.443 possible 6226 218 H THR CA 3 C4H1s 0.770 1.880 3.222 13.988 13.025 1.074 possible 6227 218 H THR C 1 C3H0s 0.770 1.610 3.143 10.548 8.685 1.215 possible 6228 218 H THR O 16 O1H0u 0.660 1.420 5.559 48.491 15.795 3.070 possible 6229 218 H THR CB 4 C4H1b 0.770 1.880 6.746 26.093 14.687 1.777 possible 6230 218 H THR OG1 17 O2H1u 0.660 1.460 30.214 -1.000 17.610 -1.000 bad 6231 218 H THR CG2 10 C4H3u 0.770 1.880 7.127 80.526 36.265 2.220 possible 6232 219 H ILE N 12 N3H1s 0.700 1.640 3.394 16.370 13.493 1.213 possible 6233 219 H ILE CA 3 C4H1s 0.770 1.880 2.578 11.228 12.946 0.867 [OK] 6234 219 H ILE C 1 C3H0s 0.770 1.610 3.734 9.503 8.445 1.125 possible 6235 219 H ILE O 16 O1H0u 0.660 1.420 7.169 64.473 15.930 4.047 possible 6236 219 H ILE CB 4 C4H1b 0.770 1.880 2.559 12.658 14.146 0.895 [OK] 6237 219 H ILE CG1 9 C4H2b 0.770 1.880 3.796 26.441 24.071 1.098 possible 6238 219 H ILE CG2 10 C4H3u 0.770 1.880 3.161 33.720 35.763 0.943 possible 6239 219 H ILE CD1 10 C4H3u 0.770 1.880 3.460 36.918 38.219 0.966 possible 6240 220 H LYS N 12 N3H1s 0.700 1.640 4.140 16.125 13.429 1.201 possible 6241 220 H LYS CA 3 C4H1s 0.770 1.880 10.981 -1.000 13.217 -1.000 bad 6242 220 H LYS C 1 C3H0s 0.770 1.610 5.963 12.226 8.696 1.406 possible 6243 220 H LYS O 16 O1H0u 0.660 1.420 23.862 -1.000 15.818 -1.000 bad 6244 220 H LYS CB 8 C4H2s 0.770 1.880 26.870 -1.000 22.578 -1.000 bad 6245 220 H LYS CG 8 C4H2s 0.770 1.880 8.762 -1.000 22.847 -1.000 bad 6246 220 H LYS CD 8 C4H2s 0.770 1.880 28.010 -1.000 23.365 -1.000 bad 6247 220 H LYS CE 9 C4H2b 0.770 1.880 3.738 27.419 23.720 1.156 possible 6248 220 H LYS NZ 14 N4H3u 0.700 1.640 20.254 -1.000 21.413 -1.000 bad 6249 221 H SER N 12 N3H1s 0.700 1.640 5.056 16.587 13.808 1.201 possible 6250 221 H SER CA 3 C4H1s 0.770 1.880 4.690 16.217 13.351 1.215 possible 6251 221 H SER C 1 C3H0s 0.770 1.610 2.726 9.066 8.858 1.024 [OK] 6252 221 H SER O 16 O1H0u 0.660 1.420 2.939 15.570 15.860 0.982 [OK] 6253 221 H SER CB 8 C4H2s 0.770 1.880 3.372 23.660 23.599 1.003 possible 6254 221 H SER OG 17 O2H1u 0.660 1.460 30.535 -1.000 18.021 -1.000 bad 6255 222 H PRO N 11 N3H0u 0.700 1.640 2.782 7.929 8.650 0.917 [OK] 6256 222 H PRO CA 4 C4H1b 0.770 1.880 3.533 16.686 13.828 1.207 possible 6257 222 H PRO C 1 C3H0s 0.770 1.610 2.399 9.131 8.768 1.041 [OK] 6258 222 H PRO O 16 O1H0u 0.660 1.420 4.172 34.635 15.856 2.184 possible 6259 222 H PRO CB 9 C4H2b 0.770 1.880 34.186 -1.000 25.314 -1.000 bad 6260 222 H PRO CG 9 C4H2b 0.770 1.880 35.112 -1.000 25.480 -1.000 bad 6261 222 H PRO CD 8 C4H2s 0.770 1.880 17.278 -1.000 23.390 -1.000 bad 6262 223 H THR N 12 N3H1s 0.700 1.640 2.379 11.743 13.544 0.867 [OK] 6263 223 H THR CA 3 C4H1s 0.770 1.880 2.551 12.497 13.025 0.959 [OK] 6264 223 H THR C 1 C3H0s 0.770 1.610 2.306 9.010 8.685 1.037 [OK] 6265 223 H THR O 16 O1H0u 0.660 1.420 4.279 31.285 15.795 1.981 possible 6266 223 H THR CB 4 C4H1b 0.770 1.880 6.548 28.456 14.687 1.937 possible 6267 223 H THR OG1 17 O2H1u 0.660 1.460 15.135 -1.000 17.610 -1.000 bad 6268 223 H THR CG2 10 C4H3u 0.770 1.880 39.135 -1.000 36.265 -1.000 bad 6269 224 H GLU N 12 N3H1s 0.700 1.640 2.391 12.583 13.461 0.935 [OK] 6270 224 H GLU CA 3 C4H1s 0.770 1.880 2.936 13.135 13.284 0.989 [OK] 6271 224 H GLU C 1 C3H0s 0.770 1.610 2.847 9.104 8.631 1.055 [OK] 6272 224 H GLU O 16 O1H0u 0.660 1.420 2.344 15.261 15.765 0.968 [OK] 6273 224 H GLU CB 8 C4H2s 0.770 1.880 3.152 22.321 23.214 0.962 possible 6274 224 H GLU CG 8 C4H2s 0.770 1.880 3.075 22.673 23.304 0.973 possible 6275 224 H GLU CD 2 C3H0b 0.770 1.610 2.733 9.694 9.437 1.027 [OK] 6276 224 H GLU OE1 16 O1H0u 0.660 1.420 6.943 50.466 15.497 3.257 possible 6277 224 H GLU OE2 16 O1H0u 0.660 1.420 20.943 -1.000 16.213 -1.000 bad 6278 225 H VAL N 12 N3H1s 0.700 1.640 2.716 13.235 13.553 0.977 [OK] 6279 225 H VAL CA 3 C4H1s 0.770 1.880 2.692 12.815 13.078 0.980 [OK] 6280 225 H VAL C 1 C3H0s 0.770 1.610 2.876 9.973 8.528 1.169 [OK] 6281 225 H VAL O 16 O1H0u 0.660 1.420 2.883 21.220 15.998 1.326 [OK] 6282 225 H VAL CB 4 C4H1b 0.770 1.880 2.984 14.263 14.514 0.983 [OK] 6283 225 H VAL CG1 10 C4H3u 0.770 1.880 3.137 37.842 36.320 1.042 possible 6284 225 H VAL CG2 10 C4H3u 0.770 1.880 3.384 40.376 36.173 1.116 possible 6285 226 H THR N 12 N3H1s 0.700 1.640 2.628 13.356 13.544 0.986 [OK] 6286 226 H THR CA 3 C4H1s 0.770 1.880 2.831 12.101 13.025 0.929 [OK] 6287 226 H THR C 1 C3H0s 0.770 1.610 3.060 10.313 8.685 1.187 possible 6288 226 H THR O 16 O1H0u 0.660 1.420 2.436 13.358 15.795 0.846 [OK] 6289 226 H THR CB 4 C4H1b 0.770 1.880 2.547 12.410 14.687 0.845 [OK] 6290 226 H THR OG1 17 O2H1u 0.660 1.460 2.288 14.531 17.610 0.825 [OK] 6291 226 H THR CG2 10 C4H3u 0.770 1.880 3.465 41.958 36.265 1.157 possible 6292 227 H LEU N 12 N3H1s 0.700 1.640 3.101 13.961 13.517 1.033 possible 6293 227 H LEU CA 3 C4H1s 0.770 1.880 2.869 14.314 13.055 1.096 [OK] 6294 227 H LEU C 1 C3H0s 0.770 1.610 2.182 8.117 8.781 0.924 [OK] 6295 227 H LEU O 16 O1H0u 0.660 1.420 2.341 15.316 15.957 0.960 [OK] 6296 227 H LEU CB 8 C4H2s 0.770 1.880 2.654 21.175 22.818 0.928 [OK] 6297 227 H LEU CG 4 C4H1b 0.770 1.880 2.963 13.902 14.704 0.945 [OK] 6298 227 H LEU CD1 10 C4H3u 0.770 1.880 2.945 39.552 37.235 1.062 [OK] 6299 227 H LEU CD2 10 C4H3u 0.770 1.880 3.233 35.825 37.020 0.968 possible 6300 228 H LEU N 12 N3H1s 0.700 1.640 2.344 12.431 13.517 0.920 [OK] 6301 228 H LEU CA 3 C4H1s 0.770 1.880 2.912 14.065 13.055 1.077 [OK] 6302 228 H LEU C 1 C3H0s 0.770 1.610 2.653 8.178 8.781 0.931 [OK] 6303 228 H LEU O 16 O1H0u 0.660 1.420 2.584 16.192 15.957 1.015 [OK] 6304 228 H LEU CB 8 C4H2s 0.770 1.880 2.993 22.204 22.818 0.973 [OK] 6305 228 H LEU CG 4 C4H1b 0.770 1.880 2.918 13.719 14.704 0.933 [OK] 6306 228 H LEU CD1 10 C4H3u 0.770 1.880 4.584 40.520 37.235 1.088 possible 6307 228 H LEU CD2 10 C4H3u 0.770 1.880 21.133 -1.000 37.020 -1.000 bad 6308 229 H GLU N 12 N3H1s 0.700 1.640 2.712 12.234 13.461 0.909 [OK] 6309 229 H GLU CA 3 C4H1s 0.770 1.880 3.656 16.443 13.284 1.238 possible 6310 229 H GLU C 1 C3H0s 0.770 1.610 2.572 8.996 8.631 1.042 [OK] 6311 229 H GLU O 16 O1H0u 0.660 1.420 2.903 15.260 15.765 0.968 [OK] 6312 229 H GLU CB 8 C4H2s 0.770 1.880 3.639 26.006 23.214 1.120 possible 6313 229 H GLU CG 8 C4H2s 0.770 1.880 3.787 30.835 23.304 1.323 possible 6314 229 H GLU CD 2 C3H0b 0.770 1.610 2.543 9.010 9.437 0.955 [OK] 6315 229 H GLU OE1 16 O1H0u 0.660 1.420 2.298 14.955 15.497 0.965 [OK] 6316 229 H GLU OE2 16 O1H0u 0.660 1.420 3.538 19.518 16.213 1.204 possible 6317 230 H GLU N 12 N3H1s 0.700 1.640 2.605 12.728 13.461 0.946 [OK] 6318 230 H GLU CA 3 C4H1s 0.770 1.880 3.129 16.803 13.284 1.265 possible 6319 230 H GLU C 1 C3H0s 0.770 1.610 2.961 9.195 8.631 1.065 [OK] 6320 230 H GLU O 16 O1H0u 0.660 1.420 3.001 15.892 15.765 1.008 possible 6321 230 H GLU CB 8 C4H2s 0.770 1.880 3.285 23.613 23.214 1.017 possible 6322 230 H GLU CG 8 C4H2s 0.770 1.880 3.016 25.325 23.304 1.087 possible 6323 230 H GLU CD 2 C3H0b 0.770 1.610 2.750 10.804 9.437 1.145 [OK] 6324 230 H GLU OE1 16 O1H0u 0.660 1.420 3.094 21.268 15.497 1.372 possible 6325 230 H GLU OE2 16 O1H0u 0.660 1.420 2.814 26.177 16.213 1.615 [OK] 6326 231 H ASP N 12 N3H1s 0.700 1.640 2.499 12.339 13.654 0.904 [OK] 6327 231 H ASP CA 3 C4H1s 0.770 1.880 3.340 15.267 13.254 1.152 possible 6328 231 H ASP C 1 C3H0s 0.770 1.610 2.108 7.862 8.750 0.899 [OK] 6329 231 H ASP O 16 O1H0u 0.660 1.420 2.666 17.769 15.757 1.128 [OK] 6330 231 H ASP CB 8 C4H2s 0.770 1.880 3.016 24.221 23.022 1.052 possible 6331 231 H ASP CG 2 C3H0b 0.770 1.610 2.624 9.553 9.336 1.023 [OK] 6332 231 H ASP OD1 16 O1H0u 0.660 1.420 2.891 16.655 15.078 1.105 [OK] 6333 231 H ASP OD2 16 O1H0u 0.660 1.420 2.473 15.065 15.582 0.967 [OK] 6334 232 H LYS N 12 N3H1s 0.700 1.640 2.758 12.888 13.429 0.960 [OK] 6335 232 H LYS CA 3 C4H1s 0.770 1.880 2.958 13.901 13.217 1.052 [OK] 6336 232 H LYS C 1 C3H0s 0.770 1.610 2.431 8.714 8.696 1.002 [OK] 6337 232 H LYS O 16 O1H0u 0.660 1.420 3.519 22.717 15.818 1.436 possible 6338 232 H LYS CB 8 C4H2s 0.770 1.880 3.733 28.777 22.578 1.275 possible 6339 232 H LYS CG 8 C4H2s 0.770 1.880 3.010 24.523 22.847 1.073 possible 6340 232 H LYS CD 8 C4H2s 0.770 1.880 6.947 55.780 23.365 2.387 possible 6341 232 H LYS CE 9 C4H2b 0.770 1.880 7.117 63.498 23.720 2.677 possible 6342 232 H LYS NZ 14 N4H3u 0.700 1.640 29.897 -1.000 21.413 -1.000 bad 6343 233 H ILE N 12 N3H1s 0.700 1.640 2.525 12.613 13.493 0.935 [OK] 6344 233 H ILE CA 3 C4H1s 0.770 1.880 2.841 13.711 12.946 1.059 [OK] 6345 233 H ILE C 1 C3H0s 0.770 1.610 2.357 7.780 8.445 0.921 [OK] 6346 233 H ILE O 16 O1H0u 0.660 1.420 2.406 13.680 15.930 0.859 [OK] 6347 233 H ILE CB 4 C4H1b 0.770 1.880 3.003 14.630 14.146 1.034 possible 6348 233 H ILE CG1 9 C4H2b 0.770 1.880 3.480 25.171 24.071 1.046 possible 6349 233 H ILE CG2 10 C4H3u 0.770 1.880 2.947 37.743 35.763 1.055 [OK] 6350 233 H ILE CD1 10 C4H3u 0.770 1.880 3.405 44.533 38.219 1.165 possible 6351 234 H CYS N 12 N3H1s 0.700 1.640 2.606 12.527 13.865 0.904 [OK] 6352 234 H CYS CA 3 C4H1s 0.770 1.880 2.729 13.737 13.583 1.011 [OK] 6353 234 H CYS C 1 C3H0s 0.770 1.610 2.319 8.252 8.786 0.939 [OK] 6354 234 H CYS O 16 O1H0u 0.660 1.420 2.238 13.613 16.382 0.831 [OK] 6355 234 H CYS CB 9 C4H2b 0.770 1.880 3.408 24.471 23.471 1.043 possible 6356 234 H CYS SG 20 S2H1u 1.040 1.770 3.616 49.424 36.748 1.345 possible 6357 235 H GLY N 12 N3H1s 0.700 1.640 2.753 14.587 14.480 1.007 [OK] 6358 235 H GLY CA 8 C4H2s 0.770 1.880 3.189 29.337 23.470 1.250 possible 6359 235 H GLY C 2 C3H0b 0.770 1.610 2.582 9.174 9.652 0.951 [OK] 6360 235 H GLY O 16 O1H0u 0.660 1.420 2.491 15.487 16.154 0.959 [OK] 6361 236 H TYR N 12 N3H1s 0.700 1.640 3.413 14.844 13.473 1.102 possible 6362 236 H TYR CA 3 C4H1s 0.770 1.880 3.897 18.791 13.249 1.418 possible 6363 236 H TYR C 1 C3H0s 0.770 1.610 2.109 7.633 8.714 0.876 [OK] 6364 236 H TYR O 16 O1H0u 0.660 1.420 2.634 18.698 15.901 1.176 [OK] 6365 236 H TYR CB 8 C4H2s 0.770 1.880 3.909 22.958 23.426 0.980 possible 6366 236 H TYR CG 2 C3H0b 0.770 1.610 2.411 8.662 9.695 0.893 [OK] 6367 236 H TYR CD1 5 C3H1s 0.770 1.760 3.823 30.854 20.057 1.538 possible 6368 236 H TYR CD2 5 C3H1s 0.770 1.760 2.721 18.728 20.578 0.910 [OK] 6369 236 H TYR CE1 5 C3H1s 0.770 1.760 3.487 27.674 20.534 1.348 possible 6370 236 H TYR CE2 5 C3H1s 0.770 1.760 2.682 17.711 20.577 0.861 [OK] 6371 236 H TYR CZ 2 C3H0b 0.770 1.610 2.570 9.511 9.888 0.962 [OK] 6372 236 H TYR OH 17 O2H1u 0.660 1.460 3.338 23.362 18.541 1.260 possible 6373 237 H VAL N 12 N3H1s 0.700 1.640 2.328 11.552 13.553 0.852 [OK] 6374 237 H VAL CA 3 C4H1s 0.770 1.880 2.575 13.260 13.078 1.014 [OK] 6375 237 H VAL C 1 C3H0s 0.770 1.610 2.397 8.235 8.528 0.966 [OK] 6376 237 H VAL O 16 O1H0u 0.660 1.420 2.325 16.544 15.998 1.034 [OK] 6377 237 H VAL CB 4 C4H1b 0.770 1.880 3.131 16.593 14.514 1.143 possible 6378 237 H VAL CG1 10 C4H3u 0.770 1.880 3.066 36.419 36.320 1.003 possible 6379 237 H VAL CG2 10 C4H3u 0.770 1.880 3.288 36.472 36.173 1.008 possible 6380 238 H ALA N 12 N3H1s 0.700 1.640 2.523 12.707 13.872 0.916 [OK] 6381 238 H ALA CA 4 C4H1b 0.770 1.880 3.044 16.582 13.959 1.188 possible 6382 238 H ALA C 1 C3H0s 0.770 1.610 2.685 8.594 8.858 0.970 [OK] 6383 238 H ALA O 16 O1H0u 0.660 1.420 2.565 16.008 16.026 0.999 [OK] 6384 238 H ALA CB 10 C4H3u 0.770 1.880 3.019 38.285 36.551 1.047 possible 6385 239 H GLY N 12 N3H1s 0.700 1.640 2.443 13.338 14.480 0.921 [OK] 6386 239 H GLY CA 8 C4H2s 0.770 1.880 2.742 22.533 23.470 0.960 [OK] 6387 239 H GLY C 2 C3H0b 0.770 1.610 2.332 8.742 9.652 0.906 [OK] 6388 239 H GLY O 16 O1H0u 0.660 1.420 2.153 13.466 16.154 0.834 [OK] 6389 240 H GLY N 12 N3H1s 0.700 1.640 2.446 13.798 14.480 0.953 [OK] 6390 240 H GLY CA 8 C4H2s 0.770 1.880 2.833 22.206 23.470 0.946 [OK] 6391 240 H GLY C 2 C3H0b 0.770 1.610 2.210 8.139 9.652 0.843 [OK] 6392 240 H GLY O 16 O1H0u 0.660 1.420 2.174 11.380 16.154 0.704 [OK] 6393 241 H LEU N 12 N3H1s 0.700 1.640 2.424 13.182 13.517 0.975 [OK] 6394 241 H LEU CA 3 C4H1s 0.770 1.880 2.800 11.436 13.055 0.876 [OK] 6395 241 H LEU C 1 C3H0s 0.770 1.610 3.721 8.902 8.781 1.014 possible 6396 241 H LEU O 16 O1H0u 0.660 1.420 3.914 31.384 15.957 1.967 possible 6397 241 H LEU CB 8 C4H2s 0.770 1.880 4.219 31.922 22.818 1.399 possible 6398 241 H LEU CG 4 C4H1b 0.770 1.880 2.798 14.659 14.704 0.997 [OK] 6399 241 H LEU CD1 10 C4H3u 0.770 1.880 3.975 47.757 37.235 1.283 possible 6400 241 H LEU CD2 10 C4H3u 0.770 1.880 3.737 53.139 37.020 1.435 possible 6401 242 H MET N 12 N3H1s 0.700 1.640 3.729 12.464 13.405 0.930 possible 6402 242 H MET CA 3 C4H1s 0.770 1.880 4.545 19.638 13.194 1.488 possible 6403 242 H MET C 1 C3H0s 0.770 1.610 2.342 8.881 8.756 1.014 [OK] 6404 242 H MET O 16 O1H0u 0.660 1.420 6.561 56.545 16.002 3.534 possible 6405 242 H MET CB 8 C4H2s 0.770 1.880 3.958 25.985 23.418 1.110 possible 6406 242 H MET CG 9 C4H2b 0.770 1.880 5.532 51.050 23.830 2.142 possible 6407 242 H MET SD 19 S2H0u 1.040 1.770 3.293 37.619 30.207 1.245 possible 6408 242 H MET CE 10 C4H3u 0.770 1.880 16.109 -1.000 37.003 -1.000 bad 6409 243 H TYR N 12 N3H1s 0.700 1.640 2.219 11.593 13.473 0.860 [OK] 6410 243 H TYR CA 3 C4H1s 0.770 1.880 4.228 14.751 13.249 1.113 possible 6411 243 H TYR C 1 C3H0s 0.770 1.610 3.030 9.669 8.714 1.110 possible 6412 243 H TYR O 16 O1H0u 0.660 1.420 5.490 40.616 15.901 2.554 possible 6413 243 H TYR CB 8 C4H2s 0.770 1.880 3.475 24.838 23.426 1.060 possible 6414 243 H TYR CG 2 C3H0b 0.770 1.610 2.536 9.568 9.695 0.987 [OK] 6415 243 H TYR CD1 5 C3H1s 0.770 1.760 12.297 -1.000 20.057 -1.000 bad 6416 243 H TYR CD2 5 C3H1s 0.770 1.760 2.670 18.903 20.578 0.919 [OK] 6417 243 H TYR CE1 5 C3H1s 0.770 1.760 6.973 -1.000 20.534 -1.000 bad 6418 243 H TYR CE2 5 C3H1s 0.770 1.760 2.705 20.769 20.577 1.009 [OK] 6419 243 H TYR CZ 2 C3H0b 0.770 1.610 2.290 9.196 9.888 0.930 [OK] 6420 243 H TYR OH 17 O2H1u 0.660 1.460 2.572 20.422 18.541 1.101 [OK] 6421 244 H ALA N 12 N3H1s 0.700 1.640 2.936 13.208 13.872 0.952 [OK] 6422 244 H ALA CA 4 C4H1b 0.770 1.880 3.065 15.453 13.959 1.107 possible 6423 244 H ALA C 1 C3H0s 0.770 1.610 2.495 8.638 8.858 0.975 [OK] 6424 244 H ALA O 16 O1H0u 0.660 1.420 2.360 14.334 16.026 0.894 [OK] 6425 244 H ALA CB 10 C4H3u 0.770 1.880 2.893 34.357 36.551 0.940 [OK] 6426 245 H ALA N 12 N3H1s 0.700 1.640 2.398 12.930 13.872 0.932 [OK] 6427 245 H ALA CA 4 C4H1b 0.770 1.880 2.739 12.027 13.959 0.862 [OK] 6428 245 H ALA C 1 C3H0s 0.770 1.610 4.373 9.356 8.858 1.056 possible 6429 245 H ALA O 16 O1H0u 0.660 1.420 12.852 -1.000 16.026 -1.000 bad 6430 245 H ALA CB 10 C4H3u 0.770 1.880 19.730 -1.000 36.551 -1.000 bad 6431 246 H PRO N 11 N3H0u 0.700 1.640 6.320 10.174 8.650 1.176 possible 6432 246 H PRO CA 4 C4H1b 0.770 1.880 11.615 -1.000 13.828 -1.000 bad 6433 246 H PRO C 1 C3H0s 0.770 1.610 3.334 9.610 8.768 1.096 possible 6434 246 H PRO O 16 O1H0u 0.660 1.420 32.489 -1.000 15.856 -1.000 bad 6435 246 H PRO CB 9 C4H2b 0.770 1.880 36.486 -1.000 25.314 -1.000 bad 6436 246 H PRO CG 9 C4H2b 0.770 1.880 19.992 -1.000 25.480 -1.000 bad 6437 246 H PRO CD 8 C4H2s 0.770 1.880 13.644 -1.000 23.390 -1.000 bad 6438 247 H LYS N 12 N3H1s 0.700 1.640 2.907 12.728 13.429 0.948 [OK] 6439 247 H LYS CA 3 C4H1s 0.770 1.880 7.795 24.624 13.217 1.863 possible 6440 247 H LYS C 1 C3H0s 0.770 1.610 2.602 9.571 8.696 1.101 [OK] 6441 247 H LYS O 16 O1H0u 0.660 1.420 7.529 41.645 15.818 2.633 possible 6442 247 H LYS CB 8 C4H2s 0.770 1.880 4.644 26.140 22.578 1.158 possible 6443 247 H LYS CG 8 C4H2s 0.770 1.880 21.908 -1.000 22.847 -1.000 bad 6444 247 H LYS CD 8 C4H2s 0.770 1.880 3.031 26.690 23.365 1.142 possible 6445 247 H LYS CE 9 C4H2b 0.770 1.880 27.914 -1.000 23.720 -1.000 bad 6446 247 H LYS NZ 14 N4H3u 0.700 1.640 28.361 -1.000 21.413 -1.000 bad 6447 248 H ARG N 12 N3H1s 0.700 1.640 2.599 13.849 13.486 1.027 [OK] 6448 248 H ARG CA 3 C4H1s 0.770 1.880 2.615 11.579 13.310 0.870 [OK] 6449 248 H ARG C 1 C3H0s 0.770 1.610 2.499 7.962 8.779 0.907 [OK] 6450 248 H ARG O 16 O1H0u 0.660 1.420 14.877 -1.000 15.916 -1.000 bad 6451 248 H ARG CB 8 C4H2s 0.770 1.880 3.018 18.576 22.833 0.814 possible 6452 248 H ARG CG 8 C4H2s 0.770 1.880 5.069 39.175 23.273 1.683 possible 6453 248 H ARG CD 8 C4H2s 0.770 1.880 5.737 37.227 22.849 1.629 possible 6454 248 H ARG NE 13 N3H1b 0.700 1.640 3.758 20.382 15.019 1.357 possible 6455 248 H ARG CZ 2 C3H0b 0.770 1.610 2.739 9.815 9.678 1.014 [OK] 6456 248 H ARG NH1 15 N3H2u 0.700 1.640 2.560 17.804 22.056 0.807 [OK] 6457 248 H ARG NH2 15 N3H2u 0.700 1.640 2.853 17.069 23.132 0.738 [OK] 6458 249 H LYS N 12 N3H1s 0.700 1.640 3.005 12.794 13.429 0.953 possible 6459 249 H LYS CA 3 C4H1s 0.770 1.880 5.766 23.801 13.217 1.801 possible 6460 249 H LYS C 1 C3H0s 0.770 1.610 2.771 9.335 8.696 1.073 [OK] 6461 249 H LYS O 16 O1H0u 0.660 1.420 3.061 22.221 15.818 1.405 possible 6462 249 H LYS CB 8 C4H2s 0.770 1.880 4.576 29.830 22.578 1.321 possible 6463 249 H LYS CG 8 C4H2s 0.770 1.880 21.361 -1.000 22.847 -1.000 bad 6464 249 H LYS CD 8 C4H2s 0.770 1.880 4.474 32.158 23.365 1.376 possible 6465 249 H LYS CE 9 C4H2b 0.770 1.880 37.717 -1.000 23.720 -1.000 bad 6466 249 H LYS NZ 14 N4H3u 0.700 1.640 45.979 -1.000 21.413 -1.000 bad 6467 250 H SER N 12 N3H1s 0.700 1.640 4.969 25.654 13.808 1.858 possible 6468 250 H SER CA 3 C4H1s 0.770 1.880 7.595 45.173 13.351 3.384 possible 6469 250 H SER C 1 C3H0s 0.770 1.610 5.221 10.065 8.858 1.136 possible 6470 250 H SER O 16 O1H0u 0.660 1.420 18.607 -1.000 15.860 -1.000 bad 6471 250 H SER CB 8 C4H2s 0.770 1.880 45.622 -1.000 23.599 -1.000 bad 6472 250 H SER OG 17 O2H1u 0.660 1.460 30.329 -1.000 18.021 -1.000 bad 6473 250 H SER OXT 16 O1H0u 0.660 1.420 37.709 -1.000 1.420 -1.000 bad 6475 301 . BCL MG . K 25 DEFAULT 0.770 1.800 3.146 15.712 1.800 8.729 possible 6476 301 . BCL CHA 9 C4H2b 0.770 1.880 3.206 11.887 1.880 6.323 possible 6477 301 . BCL CHB 9 C4H2b 0.770 1.880 4.135 27.476 1.880 14.615 possible 6478 301 . BCL CHC 9 C4H2b 0.770 1.880 3.153 19.609 1.880 10.430 possible 6479 301 . BCL CHD 9 C4H2b 0.770 1.880 3.108 25.739 1.880 13.691 possible 6480 301 . BCL N A 14 N4H3u 0.700 1.640 2.913 13.031 1.640 7.946 [OK] 6481 301 . BCL C1A 9 C4H2b 0.770 1.880 2.870 11.493 1.880 6.113 [OK] 6482 301 . BCL C2A 9 C4H2b 0.770 1.880 3.675 14.798 1.880 7.871 possible 6483 301 . BCL C3A 9 C4H2b 0.770 1.880 3.362 13.236 1.880 7.040 possible 6484 301 . BCL C4A 9 C4H2b 0.770 1.880 2.954 10.448 1.880 5.557 [OK] 6485 301 . BCL CMA 9 C4H2b 0.770 1.880 4.543 57.551 1.880 30.612 possible 6486 301 . BCL CAA 9 C4H2b 0.770 1.880 3.812 27.276 1.880 14.509 possible 6487 301 . BCL CBA 9 C4H2b 0.770 1.880 3.088 23.168 1.880 12.323 possible 6488 301 . BCL CGA 9 C4H2b 0.770 1.880 3.155 12.820 1.880 6.819 possible 6489 301 . BCL O1A 17 O2H1u 0.660 1.460 2.800 19.534 1.460 13.379 [OK] 6490 301 . BCL O2A 17 O2H1u 0.660 1.460 2.309 12.000 1.460 8.219 [OK] 6491 301 . BCL N B 14 N4H3u 0.700 1.640 2.930 12.117 1.640 7.388 [OK] 6492 301 . BCL C1B 9 C4H2b 0.770 1.880 2.861 11.459 1.880 6.095 [OK] 6493 301 . BCL C2B 9 C4H2b 0.770 1.880 2.981 11.457 1.880 6.094 [OK] 6494 301 . BCL C3B 9 C4H2b 0.770 1.880 2.987 11.634 1.880 6.188 [OK] 6495 301 . BCL C4B 9 C4H2b 0.770 1.880 3.044 11.500 1.880 6.117 possible 6496 301 . BCL CMB 9 C4H2b 0.770 1.880 4.581 52.734 1.880 28.050 possible 6497 301 . BCL CAB 9 C4H2b 0.770 1.880 2.967 10.834 1.880 5.763 [OK] 6498 301 . BCL OBB 17 O2H1u 0.660 1.460 2.555 21.049 1.460 14.417 [OK] 6499 301 . BCL CBB 9 C4H2b 0.770 1.880 2.954 31.164 1.880 16.576 [OK] 6500 301 . BCL N C 14 N4H3u 0.700 1.640 3.052 10.851 1.640 6.617 possible 6501 301 . BCL C1C 9 C4H2b 0.770 1.880 3.088 10.769 1.880 5.728 possible 6502 301 . BCL C2C 9 C4H2b 0.770 1.880 3.088 15.352 1.880 8.166 possible 6503 301 . BCL C3C 9 C4H2b 0.770 1.880 3.084 14.919 1.880 7.936 possible 6504 301 . BCL C4C 9 C4H2b 0.770 1.880 2.980 10.960 1.880 5.830 [OK] 6505 301 . BCL CMC 9 C4H2b 0.770 1.880 3.108 38.204 1.880 20.321 possible 6506 301 . BCL CAC 9 C4H2b 0.770 1.880 3.047 25.871 1.880 13.761 possible 6507 301 . BCL CBC 9 C4H2b 0.770 1.880 3.274 36.571 1.880 19.453 possible 6508 301 . BCL N D 14 N4H3u 0.700 1.640 2.545 11.046 1.640 6.736 [OK] 6509 301 . BCL C1D 9 C4H2b 0.770 1.880 2.978 12.020 1.880 6.394 [OK] 6510 301 . BCL C2D 9 C4H2b 0.770 1.880 3.095 12.203 1.880 6.491 possible 6511 301 . BCL C3D 9 C4H2b 0.770 1.880 2.620 11.236 1.880 5.977 [OK] 6512 301 . BCL C4D 9 C4H2b 0.770 1.880 2.700 11.697 1.880 6.222 [OK] 6513 301 . BCL CMD 9 C4H2b 0.770 1.880 2.966 30.344 1.880 16.141 [OK] 6514 301 . BCL CAD 9 C4H2b 0.770 1.880 2.645 10.787 1.880 5.738 [OK] 6515 301 . BCL OBD 17 O2H1u 0.660 1.460 2.513 18.952 1.460 12.981 [OK] 6516 301 . BCL CBD 9 C4H2b 0.770 1.880 3.216 17.992 1.880 9.570 possible 6517 301 . BCL CGD 9 C4H2b 0.770 1.880 2.856 9.592 1.880 5.102 [OK] 6518 301 . BCL O1D 17 O2H1u 0.660 1.460 4.481 34.500 1.460 23.630 possible 6519 301 . BCL O2D 17 O2H1u 0.660 1.460 2.836 14.385 1.460 9.853 [OK] 6520 301 . BCL CED 9 C4H2b 0.770 1.880 4.646 52.754 1.880 28.061 possible 6521 301 . BCL C1 9 C4H2b 0.770 1.880 3.309 25.555 1.880 13.593 possible 6522 301 . BCL C2 9 C4H2b 0.770 1.880 3.291 27.818 1.880 14.797 possible 6523 301 . BCL C3 9 C4H2b 0.770 1.880 3.075 13.295 1.880 7.072 possible 6524 301 . BCL C4 9 C4H2b 0.770 1.880 6.062 78.741 1.880 41.883 possible 6525 301 . BCL C5 9 C4H2b 0.770 1.880 3.080 21.658 1.880 11.520 possible 6526 301 . BCL C6 9 C4H2b 0.770 1.880 3.939 32.051 1.880 17.048 possible 6527 301 . BCL C7 9 C4H2b 0.770 1.880 4.603 28.751 1.880 15.293 possible 6528 301 . BCL C8 9 C4H2b 0.770 1.880 3.940 18.056 1.880 9.604 possible 6529 301 . BCL C9 9 C4H2b 0.770 1.880 41.634 -1.000 1.880 -1.000 bad 6530 301 . BCL C10 9 C4H2b 0.770 1.880 4.665 32.376 1.880 17.221 possible 6531 301 . BCL C11 9 C4H2b 0.770 1.880 5.294 57.447 1.880 30.557 possible 6532 301 . BCL C12 9 C4H2b 0.770 1.880 5.782 48.516 1.880 25.806 possible 6533 301 . BCL C13 9 C4H2b 0.770 1.880 6.063 29.110 1.880 15.484 possible 6534 301 . BCL C14 9 C4H2b 0.770 1.880 41.008 -1.000 1.880 -1.000 bad 6535 301 . BCL C15 9 C4H2b 0.770 1.880 5.826 50.026 1.880 26.609 possible 6536 301 . BCL C16 9 C4H2b 0.770 1.880 5.314 37.200 1.880 19.787 possible 6537 301 . BCL C17 9 C4H2b 0.770 1.880 19.867 -1.000 1.880 -1.000 bad 6538 301 . BCL C18 9 C4H2b 0.770 1.880 12.439 -1.000 1.880 -1.000 bad 6539 301 . BCL C19 9 C4H2b 0.770 1.880 43.988 -1.000 1.880 -1.000 bad 6540 301 . BCL C20 9 C4H2b 0.770 1.880 47.317 -1.000 1.880 -1.000 bad 6541 302 . BCL MG .  25 DEFAULT 0.770 1.800 2.290 13.499 1.800 7.500 [OK] 6542 302 . BCL CHA 9 C4H2b 0.770 1.880 3.246 11.900 1.880 6.330 possible 6543 302 . BCL CHB 9 C4H2b 0.770 1.880 3.437 23.282 1.880 12.384 possible 6544 302 . BCL CHC 9 C4H2b 0.770 1.880 2.721 17.990 1.880 9.569 [OK] 6545 302 . BCL CHD 9 C4H2b 0.770 1.880 2.822 20.422 1.880 10.863 [OK] 6546 302 . BCL N A 14 N4H3u 0.700 1.640 2.502 11.600 1.640 7.073 [OK] 6547 302 . BCL C1A 9 C4H2b 0.770 1.880 3.035 11.671 1.880 6.208 possible 6548 302 . BCL C2A 9 C4H2b 0.770 1.880 2.497 11.712 1.880 6.230 [OK] 6549 302 . BCL C3A 9 C4H2b 0.770 1.880 3.441 16.012 1.880 8.517 possible 6550 302 . BCL C4A 9 C4H2b 0.770 1.880 2.798 11.028 1.880 5.866 [OK] 6551 302 . BCL CMA 9 C4H2b 0.770 1.880 3.116 35.733 1.880 19.007 possible 6552 302 . BCL CAA 9 C4H2b 0.770 1.880 3.079 19.516 1.880 10.381 possible 6553 302 . BCL CBA 9 C4H2b 0.770 1.880 3.227 25.636 1.880 13.636 possible 6554 302 . BCL CGA 9 C4H2b 0.770 1.880 2.859 11.003 1.880 5.853 [OK] 6555 302 . BCL O1A 17 O2H1u 0.660 1.460 2.660 15.368 1.460 10.526 [OK] 6556 302 . BCL O2A 17 O2H1u 0.660 1.460 2.980 18.986 1.460 13.004 [OK] 6557 302 . BCL N B 14 N4H3u 0.700 1.640 2.238 9.587 1.640 5.846 [OK] 6558 302 . BCL C1B 9 C4H2b 0.770 1.880 2.619 9.745 1.880 5.184 [OK] 6559 302 . BCL C2B 9 C4H2b 0.770 1.880 2.436 9.815 1.880 5.221 [OK] 6560 302 . BCL C3B 9 C4H2b 0.770 1.880 2.315 8.812 1.880 4.687 [OK] 6561 302 . BCL C4B 9 C4H2b 0.770 1.880 2.719 9.722 1.880 5.171 [OK] 6562 302 . BCL CMB 9 C4H2b 0.770 1.880 3.123 36.614 1.880 19.476 possible 6563 302 . BCL CAB 9 C4H2b 0.770 1.880 2.879 10.810 1.880 5.750 [OK] 6564 302 . BCL OBB 17 O2H1u 0.660 1.460 2.664 19.648 1.460 13.457 [OK] 6565 302 . BCL CBB 9 C4H2b 0.770 1.880 3.045 30.666 1.880 16.312 possible 6566 302 . BCL N C 14 N4H3u 0.700 1.640 2.513 10.844 1.640 6.612 [OK] 6567 302 . BCL C1C 9 C4H2b 0.770 1.880 2.542 10.480 1.880 5.575 [OK] 6568 302 . BCL C2C 9 C4H2b 0.770 1.880 2.628 13.547 1.880 7.206 [OK] 6569 302 . BCL C3C 9 C4H2b 0.770 1.880 2.634 13.249 1.880 7.047 [OK] 6570 302 . BCL C4C 9 C4H2b 0.770 1.880 2.548 10.741 1.880 5.713 [OK] 6571 302 . BCL CMC 9 C4H2b 0.770 1.880 3.243 34.460 1.880 18.330 possible 6572 302 . BCL CAC 9 C4H2b 0.770 1.880 2.727 22.514 1.880 11.976 [OK] 6573 302 . BCL CBC 9 C4H2b 0.770 1.880 3.177 41.862 1.880 22.267 possible 6574 302 . BCL N D 14 N4H3u 0.700 1.640 2.662 11.950 1.640 7.287 [OK] 6575 302 . BCL C1D 9 C4H2b 0.770 1.880 2.640 11.237 1.880 5.977 [OK] 6576 302 . BCL C2D 9 C4H2b 0.770 1.880 2.740 12.164 1.880 6.470 [OK] 6577 302 . BCL C3D 9 C4H2b 0.770 1.880 3.164 13.399 1.880 7.127 possible 6578 302 . BCL C4D 9 C4H2b 0.770 1.880 3.326 14.201 1.880 7.554 possible 6579 302 . BCL CMD 9 C4H2b 0.770 1.880 2.941 35.180 1.880 18.713 [OK] 6580 302 . BCL CAD 9 C4H2b 0.770 1.880 3.005 12.057 1.880 6.413 possible 6581 302 . BCL OBD 17 O2H1u 0.660 1.460 2.438 17.865 1.460 12.237 [OK] 6582 302 . BCL CBD 9 C4H2b 0.770 1.880 3.058 14.827 1.880 7.887 possible 6583 302 . BCL CGD 9 C4H2b 0.770 1.880 2.319 9.127 1.880 4.855 [OK] 6584 302 . BCL O1D 17 O2H1u 0.660 1.460 2.622 17.021 1.460 11.659 [OK] 6585 302 . BCL O2D 17 O2H1u 0.660 1.460 2.552 13.410 1.460 9.185 [OK] 6586 302 . BCL CED 9 C4H2b 0.770 1.880 3.089 37.570 1.880 19.984 possible 6587 302 . BCL C1 9 C4H2b 0.770 1.880 3.067 23.004 1.880 12.236 possible 6588 302 . BCL C2 9 C4H2b 0.770 1.880 3.056 24.118 1.880 12.828 possible 6589 302 . BCL C3 9 C4H2b 0.770 1.880 2.702 11.818 1.880 6.286 [OK] 6590 302 . BCL C4 9 C4H2b 0.770 1.880 3.115 36.540 1.880 19.436 possible 6591 302 . BCL C5 9 C4H2b 0.770 1.880 2.847 21.407 1.880 11.387 [OK] 6592 302 . BCL C6 9 C4H2b 0.770 1.880 2.654 20.522 1.880 10.916 [OK] 6593 302 . BCL C7 9 C4H2b 0.770 1.880 2.990 21.285 1.880 11.322 [OK] 6594 302 . BCL C8 9 C4H2b 0.770 1.880 2.972 15.784 1.880 8.396 [OK] 6595 302 . BCL C9 9 C4H2b 0.770 1.880 3.102 34.284 1.880 18.236 possible 6596 302 . BCL C10 9 C4H2b 0.770 1.880 3.051 25.236 1.880 13.424 possible 6597 302 . BCL C11 9 C4H2b 0.770 1.880 2.977 21.978 1.880 11.690 [OK] 6598 302 . BCL C12 9 C4H2b 0.770 1.880 2.698 19.652 1.880 10.453 [OK] 6599 302 . BCL C13 9 C4H2b 0.770 1.880 2.919 14.970 1.880 7.963 [OK] 6600 302 . BCL C14 9 C4H2b 0.770 1.880 3.085 37.097 1.880 19.732 possible 6601 302 . BCL C15 9 C4H2b 0.770 1.880 3.021 23.909 1.880 12.718 possible 6602 302 . BCL C16 9 C4H2b 0.770 1.880 2.745 21.729 1.880 11.558 [OK] 6603 302 . BCL C17 9 C4H2b 0.770 1.880 3.610 24.881 1.880 13.235 possible 6604 302 . BCL C18 9 C4H2b 0.770 1.880 7.644 44.737 1.880 23.796 possible 6605 302 . BCL C19 9 C4H2b 0.770 1.880 7.670 85.747 1.880 45.610 possible 6606 302 . BCL C20 9 C4H2b 0.770 1.880 6.186 52.237 1.880 27.786 possible 6607 303 . BCL MG . 25 DEFAULT 0.770 1.800 2.235 12.252 1.800 6.807 [OK] 6608 303 . BCL CHA 9 C4H2b 0.770 1.880 2.737 10.129 1.880 5.388 [OK] 6609 303 . BCL CHB 9 C4H2b 0.770 1.880 2.954 18.356 1.880 9.764 [OK] 6610 303 . BCL CHC 9 C4H2b 0.770 1.880 2.642 15.816 1.880 8.413 [OK] 6611 303 . BCL CHD 9 C4H2b 0.770 1.880 2.869 20.115 1.880 10.700 [OK] 6612 303 . BCL N A 14 N4H3u 0.700 1.640 2.698 10.648 1.640 6.493 [OK] 6613 303 . BCL C1A 9 C4H2b 0.770 1.880 3.016 12.102 1.880 6.437 possible 6614 303 . BCL C2A 9 C4H2b 0.770 1.880 3.072 14.432 1.880 7.676 possible 6615 303 . BCL C3A 9 C4H2b 0.770 1.880 2.994 14.679 1.880 7.808 [OK] 6616 303 . BCL C4A 9 C4H2b 0.770 1.880 3.018 11.516 1.880 6.126 possible 6617 303 . BCL CMA 9 C4H2b 0.770 1.880 3.072 33.096 1.880 17.604 possible 6618 303 . BCL CAA 9 C4H2b 0.770 1.880 3.024 22.580 1.880 12.011 possible 6619 303 . BCL CBA 9 C4H2b 0.770 1.880 3.298 25.529 1.880 13.579 possible 6620 303 . BCL CGA 9 C4H2b 0.770 1.880 2.759 11.185 1.880 5.950 [OK] 6621 303 . BCL O1A 17 O2H1u 0.660 1.460 2.654 21.840 1.460 14.959 [OK] 6622 303 . BCL O2A 17 O2H1u 0.660 1.460 2.548 13.305 1.460 9.113 [OK] 6623 303 . BCL N B 14 N4H3u 0.700 1.640 2.185 9.132 1.640 5.568 [OK] 6624 303 . BCL C1B 9 C4H2b 0.770 1.880 2.474 9.228 1.880 4.909 [OK] 6625 303 . BCL C2B 9 C4H2b 0.770 1.880 2.436 9.888 1.880 5.260 [OK] 6626 303 . BCL C3B 9 C4H2b 0.770 1.880 2.615 10.415 1.880 5.540 [OK] 6627 303 . BCL C4B 9 C4H2b 0.770 1.880 2.566 10.081 1.880 5.362 [OK] 6628 303 . BCL CMB 9 C4H2b 0.770 1.880 3.249 34.986 1.880 18.610 possible 6629 303 . BCL CAB 9 C4H2b 0.770 1.880 2.373 9.686 1.880 5.152 [OK] 6630 303 . BCL OBB 17 O2H1u 0.660 1.460 2.830 20.534 1.460 14.064 [OK] 6631 303 . BCL CBB 9 C4H2b 0.770 1.880 2.765 25.056 1.880 13.328 [OK] 6632 303 . BCL N C 14 N4H3u 0.700 1.640 2.503 11.434 1.640 6.972 [OK] 6633 303 . BCL C1C 9 C4H2b 0.770 1.880 2.543 10.666 1.880 5.674 [OK] 6634 303 . BCL C2C 9 C4H2b 0.770 1.880 3.087 14.950 1.880 7.952 possible 6635 303 . BCL C3C 9 C4H2b 0.770 1.880 2.705 12.220 1.880 6.500 [OK] 6636 303 . BCL C4C 9 C4H2b 0.770 1.880 2.884 11.506 1.880 6.120 [OK] 6637 303 . BCL CMC 9 C4H2b 0.770 1.880 3.084 37.189 1.880 19.781 possible 6638 303 . BCL CAC 9 C4H2b 0.770 1.880 2.884 24.459 1.880 13.010 [OK] 6639 303 . BCL CBC 9 C4H2b 0.770 1.880 3.122 36.639 1.880 19.489 possible 6640 303 . BCL N D 14 N4H3u 0.700 1.640 2.764 11.606 1.640 7.077 [OK] 6641 303 . BCL C1D 9 C4H2b 0.770 1.880 2.760 10.423 1.880 5.544 [OK] 6642 303 . BCL C2D 9 C4H2b 0.770 1.880 2.763 11.329 1.880 6.026 [OK] 6643 303 . BCL C3D 9 C4H2b 0.770 1.880 2.913 11.898 1.880 6.329 [OK] 6644 303 . BCL C4D 9 C4H2b 0.770 1.880 2.916 11.370 1.880 6.048 [OK] 6645 303 . BCL CMD 9 C4H2b 0.770 1.880 3.191 37.247 1.880 19.812 possible 6646 303 . BCL CAD 9 C4H2b 0.770 1.880 2.715 9.712 1.880 5.166 [OK] 6647 303 . BCL OBD 17 O2H1u 0.660 1.460 2.745 20.978 1.460 14.369 [OK] 6648 303 . BCL CBD 9 C4H2b 0.770 1.880 2.955 15.173 1.880 8.071 [OK] 6649 303 . BCL CGD 9 C4H2b 0.770 1.880 2.874 9.259 1.880 4.925 [OK] 6650 303 . BCL O1D 17 O2H1u 0.660 1.460 2.790 20.959 1.460 14.355 [OK] 6651 303 . BCL O2D 17 O2H1u 0.660 1.460 2.664 12.135 1.460 8.312 [OK] 6652 303 . BCL CED 9 C4H2b 0.770 1.880 3.352 39.648 1.880 21.089 possible 6653 303 . BCL C1 9 C4H2b 0.770 1.880 3.066 22.743 1.880 12.097 possible 6654 303 . BCL C2 9 C4H2b 0.770 1.880 2.755 18.722 1.880 9.958 [OK] 6655 303 . BCL C3 9 C4H2b 0.770 1.880 2.527 10.549 1.880 5.611 [OK] 6656 303 . BCL C4 9 C4H2b 0.770 1.880 3.021 31.583 1.880 16.799 possible 6657 303 . BCL C5 9 C4H2b 0.770 1.880 2.867 25.845 1.880 13.747 [OK] 6658 303 . BCL C6 9 C4H2b 0.770 1.880 2.988 22.553 1.880 11.997 [OK] 6659 303 . BCL C7 9 C4H2b 0.770 1.880 3.247 24.376 1.880 12.966 possible 6660 303 . BCL C8 9 C4H2b 0.770 1.880 2.975 14.790 1.880 7.867 [OK] 6661 303 . BCL C9 9 C4H2b 0.770 1.880 3.174 43.178 1.880 22.967 possible 6662 303 . BCL C10 9 C4H2b 0.770 1.880 2.996 23.601 1.880 12.554 [OK] 6663 303 . BCL C11 9 C4H2b 0.770 1.880 3.115 24.516 1.880 13.040 possible 6664 303 . BCL C12 9 C4H2b 0.770 1.880 2.804 22.372 1.880 11.900 [OK] 6665 303 . BCL C13 9 C4H2b 0.770 1.880 2.767 12.987 1.880 6.908 [OK] 6666 303 . BCL C14 9 C4H2b 0.770 1.880 3.167 33.134 1.880 17.625 possible 6667 303 . BCL C15 9 C4H2b 0.770 1.880 3.865 28.316 1.880 15.062 possible 6668 303 . BCL C16 9 C4H2b 0.770 1.880 3.193 23.755 1.880 12.636 possible 6669 303 . BCL C17 9 C4H2b 0.770 1.880 3.608 26.844 1.880 14.279 possible 6670 303 . BCL C18 9 C4H2b 0.770 1.880 4.780 25.891 1.880 13.772 possible 6671 303 . BCL C19 9 C4H2b 0.770 1.880 7.265 100.625 1.880 53.524 possible 6672 303 . BCL C20 9 C4H2b 0.770 1.880 5.928 62.370 1.880 33.176 possible 6673 304 . BCL MG . 25 DEFAULT 0.770 1.800 2.986 16.000 1.800 8.889 [OK] 6674 304 . BCL CHA 9 C4H2b 0.770 1.880 2.890 11.361 1.880 6.043 [OK] 6675 304 . BCL CHB 9 C4H2b 0.770 1.880 2.980 23.764 1.880 12.640 [OK] 6676 304 . BCL CHC 9 C4H2b 0.770 1.880 3.045 22.404 1.880 11.917 possible 6677 304 . BCL CHD 9 C4H2b 0.770 1.880 3.347 22.989 1.880 12.228 possible 6678 304 . BCL N A 14 N4H3u 0.700 1.640 2.867 11.719 1.640 7.146 [OK] 6679 304 . BCL C1A 9 C4H2b 0.770 1.880 2.695 9.991 1.880 5.315 [OK] 6680 304 . BCL C2A 9 C4H2b 0.770 1.880 3.241 14.382 1.880 7.650 possible 6681 304 . BCL C3A 9 C4H2b 0.770 1.880 3.328 16.047 1.880 8.536 possible 6682 304 . BCL C4A 9 C4H2b 0.770 1.880 2.890 10.444 1.880 5.555 [OK] 6683 304 . BCL CMA 9 C4H2b 0.770 1.880 4.331 53.962 1.880 28.703 possible 6684 304 . BCL CAA 9 C4H2b 0.770 1.880 3.250 26.250 1.880 13.963 possible 6685 304 . BCL CBA 9 C4H2b 0.770 1.880 3.074 25.474 1.880 13.550 possible 6686 304 . BCL CGA 9 C4H2b 0.770 1.880 2.831 12.580 1.880 6.691 [OK] 6687 304 . BCL O1A 17 O2H1u 0.660 1.460 2.681 17.705 1.460 12.127 [OK] 6688 304 . BCL O2A 17 O2H1u 0.660 1.460 2.463 13.049 1.460 8.938 [OK] 6689 304 . BCL N B 14 N4H3u 0.700 1.640 2.699 11.894 1.640 7.252 [OK] 6690 304 . BCL C1B 9 C4H2b 0.770 1.880 2.863 11.143 1.880 5.927 [OK] 6691 304 . BCL C2B 9 C4H2b 0.770 1.880 2.872 11.652 1.880 6.198 [OK] 6692 304 . BCL C3B 9 C4H2b 0.770 1.880 2.796 10.366 1.880 5.514 [OK] 6693 304 . BCL C4B 9 C4H2b 0.770 1.880 2.867 12.007 1.880 6.387 [OK] 6694 304 . BCL CMB 9 C4H2b 0.770 1.880 2.993 37.487 1.880 19.940 [OK] 6695 304 . BCL CAB 9 C4H2b 0.770 1.880 2.941 10.981 1.880 5.841 [OK] 6696 304 . BCL OBB 17 O2H1u 0.660 1.460 2.660 19.780 1.460 13.548 [OK] 6697 304 . BCL CBB 9 C4H2b 0.770 1.880 3.141 38.332 1.880 20.389 possible 6698 304 . BCL N C 14 N4H3u 0.700 1.640 2.815 11.900 1.640 7.256 [OK] 6699 304 . BCL C1C 9 C4H2b 0.770 1.880 2.848 9.892 1.880 5.261 [OK] 6700 304 . BCL C2C 9 C4H2b 0.770 1.880 2.905 13.459 1.880 7.159 [OK] 6701 304 . BCL C3C 9 C4H2b 0.770 1.880 3.333 16.398 1.880 8.722 possible 6702 304 . BCL C4C 9 C4H2b 0.770 1.880 2.867 10.962 1.880 5.831 [OK] 6703 304 . BCL CMC 9 C4H2b 0.770 1.880 3.174 38.880 1.880 20.681 possible 6704 304 . BCL CAC 9 C4H2b 0.770 1.880 3.320 21.831 1.880 11.612 possible 6705 304 . BCL CBC 9 C4H2b 0.770 1.880 3.071 34.132 1.880 18.155 possible 6706 304 . BCL N D 14 N4H3u 0.700 1.640 2.571 10.566 1.640 6.443 [OK] 6707 304 . BCL C1D 9 C4H2b 0.770 1.880 2.721 10.602 1.880 5.639 [OK] 6708 304 . BCL C2D 9 C4H2b 0.770 1.880 2.667 10.739 1.880 5.712 [OK] 6709 304 . BCL C3D 9 C4H2b 0.770 1.880 2.501 10.189 1.880 5.420 [OK] 6710 304 . BCL C4D 9 C4H2b 0.770 1.880 2.753 10.781 1.880 5.734 [OK] 6711 304 . BCL CMD 9 C4H2b 0.770 1.880 3.099 37.533 1.880 19.964 possible 6712 304 . BCL CAD 9 C4H2b 0.770 1.880 2.430 10.192 1.880 5.421 [OK] 6713 304 . BCL OBD 17 O2H1u 0.660 1.460 2.760 17.147 1.460 11.744 [OK] 6714 304 . BCL CBD 9 C4H2b 0.770 1.880 2.936 16.482 1.880 8.767 [OK] 6715 304 . BCL CGD 9 C4H2b 0.770 1.880 2.601 10.156 1.880 5.402 [OK] 6716 304 . BCL O1D 17 O2H1u 0.660 1.460 3.162 22.848 1.460 15.650 possible 6717 304 . BCL O2D 17 O2H1u 0.660 1.460 3.142 16.329 1.460 11.185 possible 6718 304 . BCL CED 9 C4H2b 0.770 1.880 3.453 41.908 1.880 22.292 possible 6719 304 . BCL C1 9 C4H2b 0.770 1.880 3.089 22.579 1.880 12.010 possible 6720 304 . BCL C2 9 C4H2b 0.770 1.880 2.929 21.380 1.880 11.372 [OK] 6721 304 . BCL C3 9 C4H2b 0.770 1.880 2.748 10.937 1.880 5.817 [OK] 6722 304 . BCL C4 9 C4H2b 0.770 1.880 3.437 48.380 1.880 25.734 possible 6723 304 . BCL C5 9 C4H2b 0.770 1.880 2.858 25.029 1.880 13.313 [OK] 6724 304 . BCL C6 9 C4H2b 0.770 1.880 3.549 26.814 1.880 14.263 possible 6725 304 . BCL C7 9 C4H2b 0.770 1.880 3.012 21.874 1.880 11.635 possible 6726 304 . BCL C8 9 C4H2b 0.770 1.880 7.384 29.064 1.880 15.459 possible 6727 304 . BCL C9 9 C4H2b 0.770 1.880 6.533 77.025 1.880 40.971 possible 6728 304 . BCL C10 9 C4H2b 0.770 1.880 3.049 25.394 1.880 13.508 possible 6729 304 . BCL C11 9 C4H2b 0.770 1.880 5.529 33.224 1.880 17.672 possible 6730 304 . BCL C12 9 C4H2b 0.770 1.880 3.804 25.390 1.880 13.505 possible 6731 304 . BCL C13 9 C4H2b 0.770 1.880 2.965 15.896 1.880 8.455 [OK] 6732 304 . BCL C14 9 C4H2b 0.770 1.880 5.025 69.698 1.880 37.073 possible 6733 304 . BCL C15 9 C4H2b 0.770 1.880 3.155 26.193 1.880 13.933 possible 6734 304 . BCL C16 9 C4H2b 0.770 1.880 4.616 28.995 1.880 15.423 possible 6735 304 . BCL C17 9 C4H2b 0.770 1.880 2.994 23.656 1.880 12.583 [OK] 6736 304 . BCL C18 9 C4H2b 0.770 1.880 3.004 15.336 1.880 8.157 possible 6737 304 . BCL C19 9 C4H2b 0.770 1.880 6.430 54.028 1.880 28.738 possible 6738 304 . BCL C20 9 C4H2b 0.770 1.880 6.756 80.701 1.880 42.926 possible 6739 401 . BPH CHA 9 C4H2b 0.770 1.880 2.925 10.167 1.880 5.408 [OK] 6740 401 . BPH CHB 9 C4H2b 0.770 1.880 3.071 22.285 1.880 11.854 possible 6741 401 . BPH CHC 9 C4H2b 0.770 1.880 3.308 17.892 1.880 9.517 possible 6742 401 . BPH CHD 9 C4H2b 0.770 1.880 2.999 20.512 1.880 10.911 [OK] 6743 401 . BPH N A 14 N4H3u 0.700 1.640 2.927 18.082 1.640 11.026 [OK] 6744 401 . BPH C1A 9 C4H2b 0.770 1.880 3.052 11.937 1.880 6.349 possible 6745 401 . BPH C2A 9 C4H2b 0.770 1.880 3.361 12.819 1.880 6.818 possible 6746 401 . BPH C3A 9 C4H2b 0.770 1.880 2.959 13.483 1.880 7.172 [OK] 6747 401 . BPH C4A 9 C4H2b 0.770 1.880 2.836 11.610 1.880 6.176 [OK] 6748 401 . BPH CMA 9 C4H2b 0.770 1.880 5.802 81.703 1.880 43.459 possible 6749 401 . BPH CAA 9 C4H2b 0.770 1.880 2.931 22.733 1.880 12.092 [OK] 6750 401 . BPH CBA 9 C4H2b 0.770 1.880 4.569 35.761 1.880 19.022 possible 6751 401 . BPH CGA 9 C4H2b 0.770 1.880 2.720 11.093 1.880 5.901 [OK] 6752 401 . BPH O1A 17 O2H1u 0.660 1.460 2.532 20.822 1.460 14.261 [OK] 6753 401 . BPH O2A 17 O2H1u 0.660 1.460 3.385 14.496 1.460 9.929 possible 6754 401 . BPH N B 14 N4H3u 0.700 1.640 2.889 17.411 1.640 10.616 [OK] 6755 401 . BPH C1B 9 C4H2b 0.770 1.880 3.026 11.835 1.880 6.295 possible 6756 401 . BPH C2B 9 C4H2b 0.770 1.880 3.014 12.718 1.880 6.765 possible 6757 401 . BPH C3B 9 C4H2b 0.770 1.880 2.881 11.485 1.880 6.109 [OK] 6758 401 . BPH C4B 9 C4H2b 0.770 1.880 3.289 12.656 1.880 6.732 possible 6759 401 . BPH CMB 9 C4H2b 0.770 1.880 3.319 38.031 1.880 20.229 possible 6760 401 . BPH CAB 9 C4H2b 0.770 1.880 2.645 9.761 1.880 5.192 [OK] 6761 401 . BPH OBB 17 O2H1u 0.660 1.460 2.713 22.612 1.460 15.488 [OK] 6762 401 . BPH CBB 9 C4H2b 0.770 1.880 3.308 30.251 1.880 16.091 possible 6763 401 . BPH N C 14 N4H3u 0.700 1.640 2.833 14.910 1.640 9.092 [OK] 6764 401 . BPH C1C 9 C4H2b 0.770 1.880 2.809 12.167 1.880 6.472 [OK] 6765 401 . BPH C2C 9 C4H2b 0.770 1.880 3.169 16.186 1.880 8.610 possible 6766 401 . BPH C3C 9 C4H2b 0.770 1.880 3.261 15.454 1.880 8.220 possible 6767 401 . BPH C4C 9 C4H2b 0.770 1.880 2.432 9.946 1.880 5.290 [OK] 6768 401 . BPH CMC 9 C4H2b 0.770 1.880 3.238 34.393 1.880 18.294 possible 6769 401 . BPH CAC 9 C4H2b 0.770 1.880 3.133 20.013 1.880 10.645 possible 6770 401 . BPH CBC 9 C4H2b 0.770 1.880 3.261 44.511 1.880 23.676 possible 6771 401 . BPH N D 14 N4H3u 0.700 1.640 2.940 15.620 1.640 9.524 [OK] 6772 401 . BPH C1D 9 C4H2b 0.770 1.880 2.890 10.840 1.880 5.766 [OK] 6773 401 . BPH C2D 9 C4H2b 0.770 1.880 2.896 11.836 1.880 6.296 [OK] 6774 401 . BPH C3D 9 C4H2b 0.770 1.880 2.618 10.945 1.880 5.822 [OK] 6775 401 . BPH C4D 9 C4H2b 0.770 1.880 2.653 10.712 1.880 5.698 [OK] 6776 401 . BPH CMD 9 C4H2b 0.770 1.880 3.164 37.116 1.880 19.743 possible 6777 401 . BPH CAD 9 C4H2b 0.770 1.880 2.711 10.274 1.880 5.465 [OK] 6778 401 . BPH OBD 17 O2H1u 0.660 1.460 2.732 21.780 1.460 14.918 [OK] 6779 401 . BPH CBD 9 C4H2b 0.770 1.880 3.029 15.479 1.880 8.234 possible 6780 401 . BPH CGD 9 C4H2b 0.770 1.880 2.658 9.772 1.880 5.198 [OK] 6781 401 . BPH O1D 17 O2H1u 0.660 1.460 3.079 20.661 1.460 14.152 possible 6782 401 . BPH O2D 17 O2H1u 0.660 1.460 2.729 15.135 1.460 10.366 [OK] 6783 401 . BPH CED 9 C4H2b 0.770 1.880 4.380 55.127 1.880 29.323 possible 6784 401 . BPH C1 9 C4H2b 0.770 1.880 2.916 24.417 1.880 12.988 [OK] 6785 401 . BPH C2 9 C4H2b 0.770 1.880 4.474 31.664 1.880 16.842 possible 6786 401 . BPH C3 9 C4H2b 0.770 1.880 3.841 13.649 1.880 7.260 possible 6787 401 . BPH C4 9 C4H2b 0.770 1.880 3.334 36.713 1.880 19.528 possible 6788 401 . BPH C5 9 C4H2b 0.770 1.880 4.372 33.472 1.880 17.804 possible 6789 401 . BPH C6 9 C4H2b 0.770 1.880 3.128 21.113 1.880 11.230 possible 6790 401 . BPH C7 9 C4H2b 0.770 1.880 3.839 23.585 1.880 12.545 possible 6791 401 . BPH C8 9 C4H2b 0.770 1.880 4.320 18.107 1.880 9.631 possible 6792 401 . BPH C9 9 C4H2b 0.770 1.880 4.185 43.541 1.880 23.160 possible 6793 401 . BPH C10 9 C4H2b 0.770 1.880 3.000 21.565 1.880 11.471 [OK] 6794 401 . BPH C11 9 C4H2b 0.770 1.880 19.616 -1.000 1.880 -1.000 bad 6795 401 . BPH C12 9 C4H2b 0.770 1.880 17.040 -1.000 1.880 -1.000 bad 6796 401 . BPH C13 9 C4H2b 0.770 1.880 3.156 14.311 1.880 7.612 possible 6797 401 . BPH C14 9 C4H2b 0.770 1.880 33.041 -1.000 1.880 -1.000 bad 6798 401 . BPH C15 9 C4H2b 0.770 1.880 18.309 -1.000 1.880 -1.000 bad 6799 401 . BPH C16 9 C4H2b 0.770 1.880 6.392 31.117 1.880 16.552 possible 6800 401 . BPH C17 9 C4H2b 0.770 1.880 22.374 -1.000 1.880 -1.000 bad 6801 401 . BPH C18 9 C4H2b 0.770 1.880 6.054 25.855 1.880 13.752 possible 6802 401 . BPH C19 9 C4H2b 0.770 1.880 47.882 -1.000 1.880 -1.000 bad 6803 401 . BPH C20 9 C4H2b 0.770 1.880 67.273 -1.000 1.880 -1.000 bad 6804 402 . BPH CHA 9 C4H2b 0.770 1.880 2.612 9.696 1.880 5.158 [OK] 6805 402 . BPH CHB 9 C4H2b 0.770 1.880 3.021 21.745 1.880 11.566 possible 6806 402 . BPH CHC 9 C4H2b 0.770 1.880 3.258 20.671 1.880 10.995 possible 6807 402 . BPH CHD 9 C4H2b 0.770 1.880 2.856 20.846 1.880 11.088 [OK] 6808 402 . BPH N A 14 N4H3u 0.700 1.640 2.756 17.198 1.640 10.486 [OK] 6809 402 . BPH C1A 9 C4H2b 0.770 1.880 2.925 10.777 1.880 5.733 [OK] 6810 402 . BPH C2A 9 C4H2b 0.770 1.880 2.740 12.837 1.880 6.828 [OK] 6811 402 . BPH C3A 9 C4H2b 0.770 1.880 2.841 13.220 1.880 7.032 [OK] 6812 402 . BPH C4A 9 C4H2b 0.770 1.880 2.836 11.183 1.880 5.949 [OK] 6813 402 . BPH CMA 9 C4H2b 0.770 1.880 3.060 41.165 1.880 21.896 possible 6814 402 . BPH CAA 9 C4H2b 0.770 1.880 2.780 21.293 1.880 11.326 [OK] 6815 402 . BPH CBA 9 C4H2b 0.770 1.880 2.955 25.482 1.880 13.554 [OK] 6816 402 . BPH CGA 9 C4H2b 0.770 1.880 2.745 11.810 1.880 6.282 [OK] 6817 402 . BPH O1A 17 O2H1u 0.660 1.460 2.546 18.567 1.460 12.717 [OK] 6818 402 . BPH O2A 17 O2H1u 0.660 1.460 2.585 14.546 1.460 9.963 [OK] 6819 402 . BPH N B 14 N4H3u 0.700 1.640 2.782 16.775 1.640 10.229 [OK] 6820 402 . BPH C1B 9 C4H2b 0.770 1.880 2.807 11.613 1.880 6.177 [OK] 6821 402 . BPH C2B 9 C4H2b 0.770 1.880 2.698 11.092 1.880 5.900 [OK] 6822 402 . BPH C3B 9 C4H2b 0.770 1.880 2.703 10.337 1.880 5.499 [OK] 6823 402 . BPH C4B 9 C4H2b 0.770 1.880 3.066 11.678 1.880 6.212 possible 6824 402 . BPH CMB 9 C4H2b 0.770 1.880 2.980 37.555 1.880 19.976 [OK] 6825 402 . BPH CAB 9 C4H2b 0.770 1.880 2.635 10.188 1.880 5.419 [OK] 6826 402 . BPH OBB 17 O2H1u 0.660 1.460 2.575 23.607 1.460 16.169 [OK] 6827 402 . BPH CBB 9 C4H2b 0.770 1.880 3.535 35.107 1.880 18.674 possible 6828 402 . BPH N C 14 N4H3u 0.700 1.640 2.585 13.902 1.640 8.477 [OK] 6829 402 . BPH C1C 9 C4H2b 0.770 1.880 3.018 12.000 1.880 6.383 possible 6830 402 . BPH C2C 9 C4H2b 0.770 1.880 3.251 14.792 1.880 7.868 possible 6831 402 . BPH C3C 9 C4H2b 0.770 1.880 3.329 15.853 1.880 8.432 possible 6832 402 . BPH C4C 9 C4H2b 0.770 1.880 2.566 10.299 1.880 5.478 [OK] 6833 402 . BPH CMC 9 C4H2b 0.770 1.880 3.541 33.900 1.880 18.032 possible 6834 402 . BPH CAC 9 C4H2b 0.770 1.880 3.056 21.387 1.880 11.376 possible 6835 402 . BPH CBC 9 C4H2b 0.770 1.880 3.180 37.934 1.880 20.178 possible 6836 402 . BPH N D 14 N4H3u 0.700 1.640 2.675 14.287 1.640 8.711 [OK] 6837 402 . BPH C1D 9 C4H2b 0.770 1.880 2.757 11.498 1.880 6.116 [OK] 6838 402 . BPH C2D 9 C4H2b 0.770 1.880 2.820 11.411 1.880 6.070 [OK] 6839 402 . BPH C3D 9 C4H2b 0.770 1.880 2.726 11.669 1.880 6.207 [OK] 6840 402 . BPH C4D 9 C4H2b 0.770 1.880 2.736 10.216 1.880 5.434 [OK] 6841 402 . BPH CMD 9 C4H2b 0.770 1.880 3.264 39.197 1.880 20.850 possible 6842 402 . BPH CAD 9 C4H2b 0.770 1.880 2.929 11.375 1.880 6.051 [OK] 6843 402 . BPH OBD 17 O2H1u 0.660 1.460 2.626 18.749 1.460 12.842 [OK] 6844 402 . BPH CBD 9 C4H2b 0.770 1.880 2.963 15.470 1.880 8.229 [OK] 6845 402 . BPH CGD 9 C4H2b 0.770 1.880 2.577 9.437 1.880 5.020 [OK] 6846 402 . BPH O1D 17 O2H1u 0.660 1.460 2.609 19.530 1.460 13.377 [OK] 6847 402 . BPH O2D 17 O2H1u 0.660 1.460 2.677 15.085 1.460 10.332 [OK] 6848 402 . BPH CED 9 C4H2b 0.770 1.880 3.058 36.596 1.880 19.466 possible 6849 402 . BPH C1 9 C4H2b 0.770 1.880 3.260 26.835 1.880 14.274 possible 6850 402 . BPH C2 9 C4H2b 0.770 1.880 3.297 20.668 1.880 10.994 possible 6851 402 . BPH C3 9 C4H2b 0.770 1.880 3.255 13.588 1.880 7.227 possible 6852 402 . BPH C4 9 C4H2b 0.770 1.880 4.760 61.887 1.880 32.919 possible 6853 402 . BPH C5 9 C4H2b 0.770 1.880 3.981 26.401 1.880 14.043 possible 6854 402 . BPH C6 9 C4H2b 0.770 1.880 2.883 22.669 1.880 12.058 [OK] 6855 402 . BPH C7 9 C4H2b 0.770 1.880 2.912 23.736 1.880 12.625 [OK] 6856 402 . BPH C8 9 C4H2b 0.770 1.880 2.932 14.362 1.880 7.639 [OK] 6857 402 . BPH C9 9 C4H2b 0.770 1.880 3.119 41.324 1.880 21.981 possible 6858 402 . BPH C10 9 C4H2b 0.770 1.880 3.167 25.536 1.880 13.583 possible 6859 402 . BPH C11 9 C4H2b 0.770 1.880 2.822 20.341 1.880 10.820 [OK] 6860 402 . BPH C12 9 C4H2b 0.770 1.880 3.045 26.190 1.880 13.931 possible 6861 402 . BPH C13 9 C4H2b 0.770 1.880 3.116 16.093 1.880 8.560 possible 6862 402 . BPH C14 9 C4H2b 0.770 1.880 3.143 37.300 1.880 19.840 possible 6863 402 . BPH C15 9 C4H2b 0.770 1.880 2.994 25.122 1.880 13.363 [OK] 6864 402 . BPH C16 9 C4H2b 0.770 1.880 3.013 23.709 1.880 12.611 possible 6865 402 . BPH C17 9 C4H2b 0.770 1.880 2.993 24.631 1.880 13.102 [OK] 6866 402 . BPH C18 9 C4H2b 0.770 1.880 2.840 15.924 1.880 8.470 [OK] 6867 402 . BPH C19 9 C4H2b 0.770 1.880 3.128 36.678 1.880 19.510 possible 6868 402 . BPH C20 9 C4H2b 0.770 1.880 3.155 40.733 1.880 21.667 possible 6869 500 . FE FE . 25 DEFAULT 0.770 1.800 2.079 11.978 1.800 6.655 [OK] 6870 501 . U10 C1 9 C4H2b 0.770 1.880 2.467 10.072 1.880 5.357 [OK] 6871 501 . U10 C2 9 C4H2b 0.770 1.880 2.524 10.262 1.880 5.459 [OK] 6872 501 . U10 C3 9 C4H2b 0.770 1.880 2.877 12.437 1.880 6.615 [OK] 6873 501 . U10 C4 9 C4H2b 0.770 1.880 2.744 12.155 1.880 6.466 [OK] 6874 501 . U10 C5 9 C4H2b 0.770 1.880 2.704 9.683 1.880 5.150 [OK] 6875 501 . U10 C6 9 C4H2b 0.770 1.880 2.484 9.785 1.880 5.205 [OK] 6876 501 . U10 C1M 9 C4H2b 0.770 1.880 2.740 29.726 1.880 15.811 [OK] 6877 501 . U10 C3M 9 C4H2b 0.770 1.880 3.271 36.488 1.880 19.408 possible 6878 501 . U10 C4M 9 C4H2b 0.770 1.880 3.117 36.095 1.880 19.200 possible 6879 501 . U10 C7 9 C4H2b 0.770 1.880 2.976 20.766 1.880 11.046 [OK] 6880 501 . U10 C8 9 C4H2b 0.770 1.880 2.830 19.388 1.880 10.313 [OK] 6881 501 . U10 C9 9 C4H2b 0.770 1.880 2.581 11.183 1.880 5.948 [OK] 6882 501 . U10 C10 9 C4H2b 0.770 1.880 3.035 33.716 1.880 17.934 possible 6883 501 . U10 C11 9 C4H2b 0.770 1.880 3.013 22.194 1.880 11.805 possible 6884 501 . U10 C12 9 C4H2b 0.770 1.880 3.053 23.245 1.880 12.364 possible 6885 501 . U10 C13 9 C4H2b 0.770 1.880 2.938 21.557 1.880 11.466 [OK] 6886 501 . U10 C14 9 C4H2b 0.770 1.880 2.895 13.340 1.880 7.096 [OK] 6887 501 . U10 C15 9 C4H2b 0.770 1.880 3.238 41.826 1.880 22.248 possible 6888 501 . U10 C16 9 C4H2b 0.770 1.880 3.208 26.328 1.880 14.005 possible 6889 501 . U10 C17 9 C4H2b 0.770 1.880 3.067 23.998 1.880 12.765 possible 6890 501 . U10 C18 9 C4H2b 0.770 1.880 2.934 22.271 1.880 11.846 [OK] 6891 501 . U10 C19 9 C4H2b 0.770 1.880 2.759 11.993 1.880 6.379 [OK] 6892 501 . U10 C20 9 C4H2b 0.770 1.880 5.165 45.781 1.880 24.352 possible 6893 501 . U10 C21 9 C4H2b 0.770 1.880 2.910 24.956 1.880 13.274 [OK] 6894 501 . U10 C22 9 C4H2b 0.770 1.880 3.653 27.043 1.880 14.385 possible 6895 501 . U10 C23 9 C4H2b 0.770 1.880 3.337 22.348 1.880 11.887 possible 6896 501 . U10 C24 9 C4H2b 0.770 1.880 2.821 11.481 1.880 6.107 [OK] 6897 501 . U10 C25 9 C4H2b 0.770 1.880 3.121 39.171 1.880 20.835 possible 6898 501 . U10 C26 9 C4H2b 0.770 1.880 2.914 20.896 1.880 11.115 [OK] 6899 501 . U10 C27 9 C4H2b 0.770 1.880 3.542 24.905 1.880 13.247 possible 6900 501 . U10 C28 9 C4H2b 0.770 1.880 3.121 18.345 1.880 9.758 possible 6901 501 . U10 C29 9 C4H2b 0.770 1.880 3.700 14.381 1.880 7.650 possible 6902 501 . U10 C30 9 C4H2b 0.770 1.880 53.504 -1.000 1.880 -1.000 bad 6903 501 . U10 C31 9 C4H2b 0.770 1.880 6.395 60.165 1.880 32.003 possible 6904 501 . U10 C32 9 C4H2b 0.770 1.880 4.466 28.872 1.880 15.358 possible 6905 501 . U10 C33 9 C4H2b 0.770 1.880 3.205 23.312 1.880 12.400 possible 6906 501 . U10 C34 9 C4H2b 0.770 1.880 3.311 14.563 1.880 7.746 possible 6907 501 . U10 C35 9 C4H2b 0.770 1.880 5.633 72.996 1.880 38.828 possible 6908 501 . U10 C36 9 C4H2b 0.770 1.880 3.143 25.296 1.880 13.455 possible 6909 501 . U10 C37 9 C4H2b 0.770 1.880 3.134 30.225 1.880 16.077 possible 6910 501 . U10 C38 9 C4H2b 0.770 1.880 3.449 25.951 1.880 13.804 possible 6911 501 . U10 C39 9 C4H2b 0.770 1.880 3.077 14.822 1.880 7.884 possible 6912 501 . U10 C40 9 C4H2b 0.770 1.880 7.315 141.687 1.880 75.366 possible 6913 501 . U10 C41 9 C4H2b 0.770 1.880 6.804 68.204 1.880 36.279 possible 6914 501 . U10 O2 17 O2H1u 0.660 1.460 2.665 17.361 1.460 11.891 [OK] 6915 501 . U10 O3 17 O2H1u 0.660 1.460 2.825 14.350 1.460 9.829 [OK] 6916 501 . U10 O4 17 O2H1u 0.660 1.460 2.424 12.526 1.460 8.580 [OK] 6917 501 . U10 O5 17 O2H1u 0.660 1.460 2.625 15.715 1.460 10.764 [OK] 6918 502 . U10 C1 9 C4H2b 0.770 1.880 3.191 13.119 1.880 6.978 possible 6919 502 . U10 C2 9 C4H2b 0.770 1.880 2.785 9.882 1.880 5.256 [OK] 6920 502 . U10 C3 9 C4H2b 0.770 1.880 2.386 9.585 1.880 5.098 [OK] 6921 502 . U10 C4 9 C4H2b 0.770 1.880 2.405 10.459 1.880 5.563 [OK] 6922 502 . U10 C5 9 C4H2b 0.770 1.880 2.810 11.159 1.880 5.936 [OK] 6923 502 . U10 C6 9 C4H2b 0.770 1.880 2.935 11.708 1.880 6.228 [OK] 6924 502 . U10 C1M 9 C4H2b 0.770 1.880 4.140 41.357 1.880 21.998 possible 6925 502 . U10 C3M 9 C4H2b 0.770 1.880 3.604 38.275 1.880 20.359 possible 6926 502 . U10 C4M 9 C4H2b 0.770 1.880 3.207 33.550 1.880 17.846 possible 6927 502 . U10 C7 9 C4H2b 0.770 1.880 3.372 28.389 1.880 15.101 possible 6928 502 . U10 C8 9 C4H2b 0.770 1.880 3.247 24.878 1.880 13.233 possible 6929 502 . U10 C9 9 C4H2b 0.770 1.880 3.372 13.921 1.880 7.405 possible 6930 502 . U10 C10 9 C4H2b 0.770 1.880 5.610 70.256 1.880 37.370 possible 6931 502 . U10 C11 9 C4H2b 0.770 1.880 3.245 28.419 1.880 15.117 possible 6932 502 . U10 C12 9 C4H2b 0.770 1.880 3.515 21.338 1.880 11.350 possible 6933 502 . U10 C13 9 C4H2b 0.770 1.880 3.841 28.102 1.880 14.948 possible 6934 502 . U10 C14 9 C4H2b 0.770 1.880 4.466 16.438 1.880 8.743 possible 6935 502 . U10 C15 9 C4H2b 0.770 1.880 35.869 -1.000 1.880 -1.000 bad 6936 502 . U10 C16 9 C4H2b 0.770 1.880 6.039 67.652 1.880 35.985 possible 6937 502 . U10 C17 9 C4H2b 0.770 1.880 3.054 23.431 1.880 12.463 possible 6938 502 . U10 C18 9 C4H2b 0.770 1.880 3.965 21.717 1.880 11.552 possible 6939 502 . U10 C19 9 C4H2b 0.770 1.880 3.328 13.002 1.880 6.916 possible 6940 502 . U10 C20 9 C4H2b 0.770 1.880 6.358 75.984 1.880 40.417 possible 6941 502 . U10 C21 9 C4H2b 0.770 1.880 4.196 29.255 1.880 15.561 possible 6942 502 . U10 C22 9 C4H2b 0.770 1.880 6.386 65.007 1.880 34.578 possible 6943 502 . U10 C23 9 C4H2b 0.770 1.880 5.730 28.485 1.880 15.151 possible 6944 502 . U10 C24 9 C4H2b 0.770 1.880 6.342 21.440 1.880 11.404 possible 6945 502 . U10 C25 9 C4H2b 0.770 1.880 55.139 -1.000 1.880 -1.000 bad 6946 502 . U10 C26 9 C4H2b 0.770 1.880 4.651 27.845 1.880 14.811 possible 6947 502 . U10 C27 9 C4H2b 0.770 1.880 20.965 -1.000 1.880 -1.000 bad 6948 502 . U10 C28 9 C4H2b 0.770 1.880 15.732 -1.000 1.880 -1.000 bad 6949 502 . U10 C29 9 C4H2b 0.770 1.880 3.197 -1.000 1.880 -1.000 bad 6950 502 . U10 C30 9 C4H2b 0.770 1.880 44.179 -1.000 1.880 -1.000 bad 6951 502 . U10 C31 9 C4H2b 0.770 1.880 28.053 -1.000 1.880 -1.000 bad 6952 502 . U10 C32 9 C4H2b 0.770 1.880 5.280 33.157 1.880 17.637 possible 6953 502 . U10 C33 9 C4H2b 0.770 1.880 17.034 -1.000 1.880 -1.000 bad 6954 502 . U10 C34 9 C4H2b 0.770 1.880 5.699 18.815 1.880 10.008 possible 6955 502 . U10 C35 9 C4H2b 0.770 1.880 5.785 69.207 1.880 36.812 possible 6956 502 . U10 C36 9 C4H2b 0.770 1.880 26.266 -1.000 1.880 -1.000 bad 6957 502 . U10 C37 9 C4H2b 0.770 1.880 4.538 32.181 1.880 17.117 possible 6958 502 . U10 C38 9 C4H2b 0.770 1.880 18.783 -1.000 1.880 -1.000 bad 6959 502 . U10 C39 9 C4H2b 0.770 1.880 3.739 15.278 1.880 8.126 possible 6960 502 . U10 C40 9 C4H2b 0.770 1.880 3.279 40.679 1.880 21.638 possible 6961 502 . U10 C41 9 C4H2b 0.770 1.880 38.315 -1.000 1.880 -1.000 bad 6962 502 . U10 O2 17 O2H1u 0.660 1.460 2.608 15.210 1.460 10.418 [OK] 6963 502 . U10 O3 17 O2H1u 0.660 1.460 2.164 10.610 1.460 7.267 [OK] 6964 502 . U10 O4 17 O2H1u 0.660 1.460 2.499 11.794 1.460 8.078 [OK] 6965 502 . U10 O5 17 O2H1u 0.660 1.460 2.578 19.433 1.460 13.311 [OK] 6966 600 . SPO CM1 9 C4H2b 0.770 1.880 42.852 -1.000 1.880 -1.000 bad 6967 600 . SPO O1 17 O2H1u 0.660 1.460 1.536 -1.000 1.460 -1.000 bad 6968 600 . SPO C1 9 C4H2b 0.770 1.880 2.336 6.337 1.880 3.371 [OK] 6969 600 . SPO C2 9 C4H2b 0.770 1.880 31.142 -1.000 1.880 -1.000 bad 6970 600 . SPO C3 9 C4H2b 0.770 1.880 19.023 -1.000 1.880 -1.000 bad 6971 600 . SPO C4 9 C4H2b 0.770 1.880 3.259 23.815 1.880 12.668 possible 6972 600 . SPO C5 9 C4H2b 0.770 1.880 3.708 21.507 1.880 11.440 possible 6973 600 . SPO C6 9 C4H2b 0.770 1.880 2.940 20.781 1.880 11.054 [OK] 6974 600 . SPO C7 9 C4H2b 0.770 1.880 3.139 12.200 1.880 6.489 possible 6975 600 . SPO C8 9 C4H2b 0.770 1.880 5.111 64.178 1.880 34.137 possible 6976 600 . SPO C9 9 C4H2b 0.770 1.880 2.846 20.517 1.880 10.914 [OK] 6977 600 . SPO C10 9 C4H2b 0.770 1.880 4.550 26.722 1.880 14.214 possible 6978 600 . SPO C11 9 C4H2b 0.770 1.880 3.620 25.523 1.880 13.576 possible 6979 600 . SPO C12 9 C4H2b 0.770 1.880 4.908 17.668 1.880 9.398 possible 6980 600 . SPO C13 9 C4H2b 0.770 1.880 4.721 61.182 1.880 32.544 possible 6981 600 . SPO C14 9 C4H2b 0.770 1.880 5.364 30.408 1.880 16.175 possible 6982 600 . SPO C15 9 C4H2b 0.770 1.880 4.709 30.964 1.880 16.470 possible 6983 600 . SPO C16 9 C4H2b 0.770 1.880 3.132 24.567 1.880 13.067 possible 6984 600 . SPO C17 9 C4H2b 0.770 1.880 2.985 12.502 1.880 6.650 [OK] 6985 600 . SPO C18 9 C4H2b 0.770 1.880 3.218 35.421 1.880 18.841 possible 6986 600 . SPO C19 9 C4H2b 0.770 1.880 2.853 20.566 1.880 10.939 [OK] 6987 600 . SPO C20 9 C4H2b 0.770 1.880 3.093 23.484 1.880 12.492 possible 6988 600 . SPO C21 9 C4H2b 0.770 1.880 3.060 21.671 1.880 11.527 possible 6989 600 . SPO C22 9 C4H2b 0.770 1.880 3.126 22.993 1.880 12.230 possible 6990 600 . SPO C23 9 C4H2b 0.770 1.880 2.951 13.005 1.880 6.918 [OK] 6991 600 . SPO C24 9 C4H2b 0.770 1.880 3.058 35.518 1.880 18.892 possible 6992 600 . SPO C25 9 C4H2b 0.770 1.880 3.215 27.324 1.880 14.534 possible 6993 600 . SPO C26 9 C4H2b 0.770 1.880 3.093 18.944 1.880 10.076 possible 6994 600 . SPO C27 9 C4H2b 0.770 1.880 3.147 27.363 1.880 14.555 possible 6995 600 . SPO C28 9 C4H2b 0.770 1.880 2.851 11.589 1.880 6.164 [OK] 6996 600 . SPO C29 9 C4H2b 0.770 1.880 2.908 32.634 1.880 17.358 [OK] 6997 600 . SPO C30 9 C4H2b 0.770 1.880 2.923 25.116 1.880 13.359 [OK] 6998 600 . SPO C31 9 C4H2b 0.770 1.880 3.199 24.462 1.880 13.012 possible 6999 600 . SPO C32 9 C4H2b 0.770 1.880 2.998 21.202 1.880 11.277 [OK] 7000 600 . SPO C33 9 C4H2b 0.770 1.880 2.796 13.235 1.880 7.040 [OK] 7001 600 . SPO C34 9 C4H2b 0.770 1.880 3.305 40.104 1.880 21.332 possible 7002 600 . SPO C35 9 C4H2b 0.770 1.880 3.566 27.866 1.880 14.822 possible 7003 600 . SPO C36 9 C4H2b 0.770 1.880 3.452 27.339 1.880 14.542 possible 7004 600 . SPO C37 9 C4H2b 0.770 1.880 7.240 40.372 1.880 21.474 possible 7005 600 . SPO C38 9 C4H2b 0.770 1.880 3.684 -1.000 1.880 -1.000 bad 7006 600 . SPO C39 9 C4H2b 0.770 1.880 23.459 -1.000 1.880 -1.000 bad 7007 600 . SPO C40 9 C4H2b 0.770 1.880 33.036 -1.000 1.880 -1.000 bad 7008 701 . LDA N1 14 N4H3u 0.700 1.640 2.143 4.424 1.640 2.697 [OK] 7009 701 . LDA O1 17 O2H1u 0.660 1.460 3.264 26.433 1.460 18.105 possible 7010 701 . LDA CM1 9 C4H2b 0.770 1.880 6.202 101.311 1.880 53.889 possible 7011 701 . LDA CM2 9 C4H2b 0.770 1.880 4.745 42.539 1.880 22.627 possible 7012 701 . LDA C1 9 C4H2b 0.770 1.880 3.241 22.016 1.880 11.711 possible 7013 701 . LDA C2 9 C4H2b 0.770 1.880 4.612 53.265 1.880 28.333 possible 7014 701 . LDA C3 9 C4H2b 0.770 1.880 2.986 24.887 1.880 13.238 [OK] 7015 701 . LDA C4 9 C4H2b 0.770 1.880 6.660 51.698 1.880 27.499 possible 7016 701 . LDA C5 9 C4H2b 0.770 1.880 3.144 27.296 1.880 14.519 possible 7017 701 . LDA C6 9 C4H2b 0.770 1.880 12.377 -1.000 1.880 -1.000 bad 7018 701 . LDA C7 9 C4H2b 0.770 1.880 5.724 41.748 1.880 22.206 possible 7019 701 . LDA C8 9 C4H2b 0.770 1.880 3.401 28.257 1.880 15.031 possible 7020 701 . LDA C9 9 C4H2b 0.770 1.880 3.283 25.955 1.880 13.806 possible 7021 701 . LDA C10 9 C4H2b 0.770 1.880 3.112 24.968 1.880 13.281 possible 7022 701 . LDA C11 9 C4H2b 0.770 1.880 3.107 27.457 1.880 14.605 possible 7023 701 . LDA C12 9 C4H2b 0.770 1.880 3.392 49.114 1.880 26.124 possible 7024 702 . LDA N1 14 N4H3u 0.700 1.640 2.094 4.426 1.640 2.699 [OK] 7025 702 . LDA O1 17 O2H1u 0.660 1.460 20.990 -1.000 1.460 -1.000 bad 7026 702 . LDA CM1 9 C4H2b 0.770 1.880 28.109 -1.000 1.880 -1.000 bad 7027 702 . LDA CM2 9 C4H2b 0.770 1.880 13.620 -1.000 1.880 -1.000 bad 7028 702 . LDA C1 9 C4H2b 0.770 1.880 3.142 19.039 1.880 10.127 possible 7029 702 . LDA C2 9 C4H2b 0.770 1.880 3.186 28.032 1.880 14.911 possible 7030 702 . LDA C3 9 C4H2b 0.770 1.880 15.877 -1.000 1.880 -1.000 bad 7031 702 . LDA C4 9 C4H2b 0.770 1.880 11.583 -1.000 1.880 -1.000 bad 7032 702 . LDA C5 9 C4H2b 0.770 1.880 13.748 -1.000 1.880 -1.000 bad 7033 702 . LDA C6 9 C4H2b 0.770 1.880 5.080 39.309 1.880 20.909 possible 7034 702 . LDA C7 9 C4H2b 0.770 1.880 7.070 74.673 1.880 39.720 possible 7035 702 . LDA C8 9 C4H2b 0.770 1.880 3.723 30.539 1.880 16.244 possible 7036 702 . LDA C9 9 C4H2b 0.770 1.880 5.057 29.547 1.880 15.717 possible 7037 702 . LDA C10 9 C4H2b 0.770 1.880 6.392 42.834 1.880 22.784 possible 7038 702 . LDA C11 9 C4H2b 0.770 1.880 5.369 28.728 1.880 15.281 possible 7039 702 . LDA C12 9 C4H2b 0.770 1.880 38.319 -1.000 1.880 -1.000 bad 7040 703 . LDA N1 14 N4H3u 0.700 1.640 2.115 4.222 1.640 2.575 [OK] 7041 703 . LDA O1 17 O2H1u 0.660 1.460 3.417 28.603 1.460 19.591 possible 7042 703 . LDA CM1 9 C4H2b 0.770 1.880 2.886 24.663 1.880 13.118 [OK] 7043 703 . LDA CM2 9 C4H2b 0.770 1.880 3.475 40.286 1.880 21.429 possible 7044 703 . LDA C1 9 C4H2b 0.770 1.880 3.803 28.346 1.880 15.078 possible 7045 703 . LDA C2 9 C4H2b 0.770 1.880 3.201 25.721 1.880 13.682 possible 7046 703 . LDA C3 9 C4H2b 0.770 1.880 5.014 33.576 1.880 17.860 possible 7047 703 . LDA C4 9 C4H2b 0.770 1.880 3.145 23.065 1.880 12.269 possible 7048 703 . LDA C5 9 C4H2b 0.770 1.880 6.876 45.995 1.880 24.466 possible 7049 703 . LDA C6 9 C4H2b 0.770 1.880 4.221 32.380 1.880 17.224 possible 7050 703 . LDA C7 9 C4H2b 0.770 1.880 11.900 -1.000 1.880 -1.000 bad 7051 703 . LDA C8 9 C4H2b 0.770 1.880 5.489 -1.000 1.880 -1.000 bad 7052 703 . LDA C9 9 C4H2b 0.770 1.880 3.023 27.183 1.880 14.459 possible 7053 703 . LDA C10 9 C4H2b 0.770 1.880 12.791 -1.000 1.880 -1.000 bad 7054 703 . LDA C11 9 C4H2b 0.770 1.880 3.046 24.919 1.880 13.255 possible 7055 703 . LDA C12 9 C4H2b 0.770 1.880 6.045 60.990 1.880 32.441 possible 7056 704 . LDA N1 14 N4H3u 0.700 1.640 2.125 4.622 1.640 2.818 [OK] 7057 704 . LDA O1 17 O2H1u 0.660 1.460 21.217 -1.000 1.460 -1.000 bad 7058 704 . LDA CM1 9 C4H2b 0.770 1.880 63.520 -1.000 1.880 -1.000 bad 7059 704 . LDA CM2 9 C4H2b 0.770 1.880 28.306 -1.000 1.880 -1.000 bad 7060 704 . LDA C1 9 C4H2b 0.770 1.880 5.621 44.580 1.880 23.713 possible 7061 704 . LDA C2 9 C4H2b 0.770 1.880 4.924 39.386 1.880 20.950 possible 7062 704 . LDA C3 9 C4H2b 0.770 1.880 32.102 -1.000 1.880 -1.000 bad 7063 704 . LDA C4 9 C4H2b 0.770 1.880 5.356 51.073 1.880 27.167 possible 7064 704 . LDA C5 9 C4H2b 0.770 1.880 6.610 43.606 1.880 23.194 possible 7065 704 . LDA C6 9 C4H2b 0.770 1.880 6.297 37.742 1.880 20.075 possible 7066 704 . LDA C7 9 C4H2b 0.770 1.880 5.891 33.245 1.880 17.683 possible 7067 704 . LDA C8 9 C4H2b 0.770 1.880 9.385 -1.000 1.880 -1.000 bad 7068 704 . LDA C9 9 C4H2b 0.770 1.880 4.630 30.365 1.880 16.152 possible 7069 704 . LDA C10 9 C4H2b 0.770 1.880 12.212 -1.000 1.880 -1.000 bad 7070 704 . LDA C11 9 C4H2b 0.770 1.880 5.116 30.536 1.880 16.242 possible 7071 704 . LDA C12 9 C4H2b 0.770 1.880 34.267 -1.000 1.880 -1.000 bad 7072 705 . LDA N1 14 N4H3u 0.700 1.640 2.082 4.353 1.640 2.655 [OK] 7073 705 . LDA O1 17 O2H1u 0.660 1.460 5.101 26.392 1.460 18.077 possible 7074 705 . LDA CM1 9 C4H2b 0.770 1.880 3.090 29.477 1.880 15.679 possible 7075 705 . LDA CM2 9 C4H2b 0.770 1.880 30.678 -1.000 1.880 -1.000 bad 7076 705 . LDA C1 9 C4H2b 0.770 1.880 5.954 38.414 1.880 20.433 possible 7077 705 . LDA C2 9 C4H2b 0.770 1.880 3.061 24.297 1.880 12.924 possible 7078 705 . LDA C3 9 C4H2b 0.770 1.880 3.015 22.160 1.880 11.787 possible 7079 705 . LDA C4 9 C4H2b 0.770 1.880 2.950 25.016 1.880 13.307 [OK] 7080 705 . LDA C5 9 C4H2b 0.770 1.880 3.989 23.349 1.880 12.419 possible 7081 705 . LDA C6 9 C4H2b 0.770 1.880 4.265 26.770 1.880 14.240 possible 7082 705 . LDA C7 9 C4H2b 0.770 1.880 21.780 -1.000 1.880 -1.000 bad 7083 705 . LDA C8 9 C4H2b 0.770 1.880 4.477 32.928 1.880 17.515 possible 7084 705 . LDA C9 9 C4H2b 0.770 1.880 14.558 -1.000 1.880 -1.000 bad 7085 705 . LDA C10 9 C4H2b 0.770 1.880 5.236 27.515 1.880 14.636 possible 7086 705 . LDA C11 9 C4H2b 0.770 1.880 25.677 -1.000 1.880 -1.000 bad 7087 705 . LDA C12 9 C4H2b 0.770 1.880 24.789 -1.000 1.880 -1.000 bad 7088 706 . LDA N1 14 N4H3u 0.700 1.640 2.097 4.419 1.640 2.694 [OK] 7089 706 . LDA O1 17 O2H1u 0.660 1.460 13.793 -1.000 1.460 -1.000 bad 7090 706 . LDA CM1 9 C4H2b 0.770 1.880 3.807 29.934 1.880 15.923 possible 7091 706 . LDA CM2 9 C4H2b 0.770 1.880 40.235 -1.000 1.880 -1.000 bad 7092 706 . LDA C1 9 C4H2b 0.770 1.880 8.781 -1.000 1.880 -1.000 bad 7093 706 . LDA C2 9 C4H2b 0.770 1.880 4.366 24.860 1.880 13.223 possible 7094 706 . LDA C3 9 C4H2b 0.770 1.880 12.776 -1.000 1.880 -1.000 bad 7095 706 . LDA C4 9 C4H2b 0.770 1.880 2.775 20.844 1.880 11.087 [OK] 7096 706 . LDA C5 9 C4H2b 0.770 1.880 14.815 -1.000 1.880 -1.000 bad 7097 706 . LDA C6 9 C4H2b 0.770 1.880 14.601 -1.000 1.880 -1.000 bad 7098 706 . LDA C7 9 C4H2b 0.770 1.880 6.026 26.490 1.880 14.090 possible 7099 706 . LDA C8 9 C4H2b 0.770 1.880 30.397 -1.000 1.880 -1.000 bad 7100 706 . LDA C9 9 C4H2b 0.770 1.880 7.264 -1.000 1.880 -1.000 bad 7101 706 . LDA C10 9 C4H2b 0.770 1.880 26.485 -1.000 1.880 -1.000 bad 7102 706 . LDA C11 9 C4H2b 0.770 1.880 8.021 -1.000 1.880 -1.000 bad 7103 706 . LDA C12 9 C4H2b 0.770 1.880 54.866 -1.000 1.880 -1.000 bad 7104 707 . LDA N1 14 N4H3u 0.700 1.640 2.076 4.450 1.640 2.713 [OK] 7105 707 . LDA O1 17 O2H1u 0.660 1.460 31.772 -1.000 1.460 -1.000 bad 7106 707 . LDA CM1 9 C4H2b 0.770 1.880 44.020 -1.000 1.880 -1.000 bad 7107 707 . LDA CM2 9 C4H2b 0.770 1.880 14.420 -1.000 1.880 -1.000 bad 7108 707 . LDA C1 9 C4H2b 0.770 1.880 3.544 21.832 1.880 11.613 possible 7109 707 . LDA C2 9 C4H2b 0.770 1.880 5.333 53.688 1.880 28.557 possible 7110 707 . LDA C3 9 C4H2b 0.770 1.880 30.495 -1.000 1.880 -1.000 bad 7111 707 . LDA C4 9 C4H2b 0.770 1.880 14.768 -1.000 1.880 -1.000 bad 7112 707 . LDA C5 9 C4H2b 0.770 1.880 24.806 -1.000 1.880 -1.000 bad 7113 707 . LDA C6 9 C4H2b 0.770 1.880 24.459 -1.000 1.880 -1.000 bad 7114 707 . LDA C7 9 C4H2b 0.770 1.880 4.293 26.628 1.880 14.164 possible 7115 707 . LDA C8 9 C4H2b 0.770 1.880 7.250 61.549 1.880 32.739 possible 7116 707 . LDA C9 9 C4H2b 0.770 1.880 3.567 28.039 1.880 14.914 possible 7117 707 . LDA C10 9 C4H2b 0.770 1.880 4.562 37.091 1.880 19.729 possible 7118 707 . LDA C11 9 C4H2b 0.770 1.880 3.176 34.290 1.880 18.239 possible 7119 707 . LDA C12 9 C4H2b 0.770 1.880 3.133 45.119 1.880 24.000 possible 7120 708 . LDA N1 14 N4H3u 0.700 1.640 2.109 4.489 1.640 2.737 [OK] 7121 708 . LDA O1 17 O2H1u 0.660 1.460 3.090 18.120 1.460 12.411 possible 7122 708 . LDA CM1 9 C4H2b 0.770 1.880 31.037 -1.000 1.880 -1.000 bad 7123 708 . LDA CM2 9 C4H2b 0.770 1.880 45.634 -1.000 1.880 -1.000 bad 7124 708 . LDA C1 9 C4H2b 0.770 1.880 6.832 -1.000 1.880 -1.000 bad 7125 708 . LDA C2 9 C4H2b 0.770 1.880 11.758 -1.000 1.880 -1.000 bad 7126 708 . LDA C3 9 C4H2b 0.770 1.880 22.280 -1.000 1.880 -1.000 bad 7127 708 . LDA C4 9 C4H2b 0.770 1.880 27.561 -1.000 1.880 -1.000 bad 7128 708 . LDA C5 9 C4H2b 0.770 1.880 4.955 35.644 1.880 18.959 possible 7129 708 . LDA C6 9 C4H2b 0.770 1.880 3.493 22.834 1.880 12.146 possible 7130 708 . LDA C7 9 C4H2b 0.770 1.880 3.048 25.964 1.880 13.810 possible 7131 708 . LDA C8 9 C4H2b 0.770 1.880 15.301 -1.000 1.880 -1.000 bad 7132 708 . LDA C9 9 C4H2b 0.770 1.880 19.249 -1.000 1.880 -1.000 bad 7133 708 . LDA C10 9 C4H2b 0.770 1.880 4.657 29.426 1.880 15.652 possible 7134 708 . LDA C11 9 C4H2b 0.770 1.880 33.207 -1.000 1.880 -1.000 bad 7135 708 . LDA C12 9 C4H2b 0.770 1.880 60.249 -1.000 1.880 -1.000 bad 7136 709 . LDA N1 14 N4H3u 0.700 1.640 2.102 4.402 1.640 2.684 [OK] 7137 709 . LDA O1 17 O2H1u 0.660 1.460 26.822 -1.000 1.460 -1.000 bad 7138 709 . LDA CM1 9 C4H2b 0.770 1.880 44.404 -1.000 1.880 -1.000 bad 7139 709 . LDA CM2 9 C4H2b 0.770 1.880 3.910 31.669 1.880 16.845 possible 7140 709 . LDA C1 9 C4H2b 0.770 1.880 7.499 55.460 1.880 29.500 possible 7141 709 . LDA C2 9 C4H2b 0.770 1.880 5.538 47.353 1.880 25.188 possible 7142 709 . LDA C3 9 C4H2b 0.770 1.880 5.943 32.403 1.880 17.236 possible 7143 709 . LDA C4 9 C4H2b 0.770 1.880 6.600 49.346 1.880 26.248 possible 7144 709 . LDA C5 9 C4H2b 0.770 1.880 3.004 26.450 1.880 14.069 possible 7145 709 . LDA C6 9 C4H2b 0.770 1.880 3.209 27.633 1.880 14.699 possible 7146 709 . LDA C7 9 C4H2b 0.770 1.880 3.084 19.709 1.880 10.483 possible 7147 709 . LDA C8 9 C4H2b 0.770 1.880 4.455 31.457 1.880 16.732 possible 7148 709 . LDA C9 9 C4H2b 0.770 1.880 4.555 29.495 1.880 15.689 possible 7149 709 . LDA C10 9 C4H2b 0.770 1.880 7.277 -1.000 1.880 -1.000 bad 7150 709 . LDA C11 9 C4H2b 0.770 1.880 21.638 -1.000 1.880 -1.000 bad 7151 709 . LDA C12 9 C4H2b 0.770 1.880 58.774 -1.000 1.880 -1.000 bad 7152 800 . PO4 P 25 DEFAULT 0.770 1.800 2.343 6.931 1.800 3.851 [OK] 7153 800 . PO4 O1 17 O2H1u 0.660 1.460 22.470 -1.000 1.460 -1.000 bad 7154 800 . PO4 O2 17 O2H1u 0.660 1.460 10.877 -1.000 1.460 -1.000 bad 7155 800 . PO4 O3 17 O2H1u 0.660 1.460 2.369 16.437 1.460 11.258 [OK] 7156 800 . PO4 O4 17 O2H1u 0.660 1.460 6.918 -1.000 1.460 -1.000 bad 7157 1 . HOH O 18 O2H2u 0.660 1.460 3.827 30.910 1.460 21.171 possible 7158 2 . HOH O 18 O2H2u 0.660 1.460 3.982 40.249 1.460 27.568 possible 7159 3 . HOH O 18 O2H2u 0.660 1.460 2.612 21.171 1.460 14.501 [OK] 7160 4 . HOH O 18 O2H2u 0.660 1.460 2.580 23.875 1.460 16.353 [OK] 7161 5 . HOH O 18 O2H2u 0.660 1.460 3.962 37.146 1.460 25.442 possible 7162 6 . HOH O 18 O2H2u 0.660 1.460 2.776 27.678 1.460 18.958 [OK] 7163 7 . HOH O 18 O2H2u 0.660 1.460 2.580 30.572 1.460 20.940 [OK] 7164 8 . HOH O 18 O2H2u 0.660 1.460 2.810 27.983 1.460 19.167 [OK] 7165 9 . HOH O 18 O2H2u 0.660 1.460 2.854 26.851 1.460 18.391 [OK] 7166 10 . HOH O 18 O2H2u 0.660 1.460 3.290 29.442 1.460 20.166 possible 7167 11 . HOH O 18 O2H2u 0.660 1.460 2.857 25.243 1.460 17.289 [OK] 7168 12 . HOH O 18 O2H2u 0.660 1.460 6.886 74.587 1.460 51.087 possible 7169 13 . HOH O 18 O2H2u 0.660 1.460 5.295 64.658 1.460 44.286 possible 7170 14 . HOH O 18 O2H2u 0.660 1.460 2.691 26.497 1.460 18.148 [OK] 7171 15 . HOH O 18 O2H2u 0.660 1.460 2.646 29.020 1.460 19.877 [OK] 7172 16 . HOH O 18 O2H2u 0.660 1.460 2.647 26.387 1.460 18.073 [OK] 7173 17 . HOH O 18 O2H2u 0.660 1.460 2.538 25.696 1.460 17.600 [OK] 7174 18 . HOH O 18 O2H2u 0.660 1.460 2.762 31.245 1.460 21.401 [OK] 7175 19 . HOH O 18 O2H2u 0.660 1.460 7.199 82.182 1.460 56.289 possible 7176 20 . HOH O 18 O2H2u 0.660 1.460 39.627 -1.000 1.460 -1.000 bad 7177 21 . HOH O 18 O2H2u 0.660 1.460 2.529 21.549 1.460 14.760 [OK] 7178 22 . HOH O 18 O2H2u 0.660 1.460 45.650 -1.000 1.460 -1.000 bad 7179 23 . HOH O 18 O2H2u 0.660 1.460 2.651 23.753 1.460 16.269 [OK] 7180 24 . HOH O 18 O2H2u 0.660 1.460 41.746 -1.000 1.460 -1.000 bad 7181 25 . HOH O 18 O2H2u 0.660 1.460 2.655 22.389 1.460 15.335 [OK] 7182 26 . HOH O 18 O2H2u 0.660 1.460 2.816 24.463 1.460 16.755 [OK] 7183 27 . HOH O 18 O2H2u 0.660 1.460 2.590 26.911 1.460 18.432 [OK] 7184 28 . HOH O 18 O2H2u 0.660 1.460 3.091 28.849 1.460 19.759 possible 7185 29 . HOH O 18 O2H2u 0.660 1.460 3.113 31.993 1.460 21.913 possible 7186 30 . HOH O 18 O2H2u 0.660 1.460 2.301 18.374 1.460 12.585 [OK] 7187 31 . HOH O 18 O2H2u 0.660 1.460 2.534 24.060 1.460 16.479 [OK] 7188 32 . HOH O 18 O2H2u 0.660 1.460 7.323 44.367 1.460 30.389 possible 7189 33 . HOH O 18 O2H2u 0.660 1.460 47.491 -1.000 1.460 -1.000 bad 7190 34 . HOH O 18 O2H2u 0.660 1.460 3.149 39.149 1.460 26.814 possible 7191 35 . HOH O 18 O2H2u 0.660 1.460 35.659 -1.000 1.460 -1.000 bad 7192 36 . HOH O 18 O2H2u 0.660 1.460 3.001 23.853 1.460 16.338 possible 7193 37 . HOH O 18 O2H2u 0.660 1.460 3.198 35.631 1.460 24.405 possible 7194 38 . HOH O 18 O2H2u 0.660 1.460 2.940 27.328 1.460 18.718 [OK] 7195 39 . HOH O 18 O2H2u 0.660 1.460 2.995 29.595 1.460 20.271 [OK] 7196 40 . HOH O 18 O2H2u 0.660 1.460 2.632 26.570 1.460 18.198 [OK] 7197 41 . HOH O 18 O2H2u 0.660 1.460 2.698 28.517 1.460 19.532 [OK] 7198 42 . HOH O 18 O2H2u 0.660 1.460 2.692 25.370 1.460 17.376 [OK] 7199 43 . HOH O 18 O2H2u 0.660 1.460 2.778 23.095 1.460 15.819 [OK] 7200 44 . HOH O 18 O2H2u 0.660 1.460 5.172 75.980 1.460 52.041 possible 7201 45 . HOH O 18 O2H2u 0.660 1.460 2.513 25.674 1.460 17.585 [OK] 7202 46 . HOH O 18 O2H2u 0.660 1.460 2.666 28.911 1.460 19.802 [OK] 7203 47 . HOH O 18 O2H2u 0.660 1.460 33.809 -1.000 1.460 -1.000 bad 7204 48 . HOH O 18 O2H2u 0.660 1.460 2.897 26.877 1.460 18.409 [OK] 7205 49 . HOH O 18 O2H2u 0.660 1.460 3.459 25.747 1.460 17.635 possible 7206 50 . HOH O 18 O2H2u 0.660 1.460 2.731 24.044 1.460 16.469 [OK] 7207 51 . HOH O 18 O2H2u 0.660 1.460 3.726 34.112 1.460 23.364 possible 7208 52 . HOH O 18 O2H2u 0.660 1.460 2.804 27.103 1.460 18.564 [OK] 7209 53 . HOH O 18 O2H2u 0.660 1.460 2.499 26.608 1.460 18.224 [OK] 7210 54 . HOH O 18 O2H2u 0.660 1.460 20.588 -1.000 1.460 -1.000 bad 7211 55 . HOH O 18 O2H2u 0.660 1.460 2.934 31.617 1.460 21.656 [OK] 7212 56 . HOH O 18 O2H2u 0.660 1.460 2.469 26.191 1.460 17.939 [OK] 7213 57 . HOH O 18 O2H2u 0.660 1.460 2.746 22.772 1.460 15.598 [OK] 7214 58 . HOH O 18 O2H2u 0.660 1.460 2.977 29.915 1.460 20.490 [OK] 7215 59 . HOH O 18 O2H2u 0.660 1.460 3.209 28.241 1.460 19.343 possible 7216 60 . HOH O 18 O2H2u 0.660 1.460 2.712 26.951 1.460 18.460 [OK] 7217 61 . HOH O 18 O2H2u 0.660 1.460 21.877 -1.000 1.460 -1.000 bad 7218 62 . HOH O 18 O2H2u 0.660 1.460 2.533 22.862 1.460 15.659 [OK] 7219 63 . HOH O 18 O2H2u 0.660 1.460 3.220 25.853 1.460 17.708 possible 7220 64 . HOH O 18 O2H2u 0.660 1.460 2.469 23.099 1.460 15.821 [OK] 7221 65 . HOH O 18 O2H2u 0.660 1.460 3.138 30.376 1.460 20.805 possible 7222 66 . HOH O 18 O2H2u 0.660 1.460 3.148 32.811 1.460 22.473 possible 7223 67 . HOH O 18 O2H2u 0.660 1.460 4.220 38.610 1.460 26.445 possible 7224 68 . HOH O 18 O2H2u 0.660 1.460 4.732 61.762 1.460 42.303 possible 7225 69 . HOH O 18 O2H2u 0.660 1.460 6.604 37.865 1.460 25.935 possible 7226 70 . HOH O 18 O2H2u 0.660 1.460 2.483 23.680 1.460 16.219 [OK] 7227 71 . HOH O 18 O2H2u 0.660 1.460 2.507 25.692 1.460 17.597 [OK] 7228 72 . HOH O 18 O2H2u 0.660 1.460 28.016 -1.000 1.460 -1.000 bad 7229 73 . HOH O 18 O2H2u 0.660 1.460 4.898 38.138 1.460 26.122 possible 7230 74 . HOH O 18 O2H2u 0.660 1.460 2.820 23.857 1.460 16.340 [OK] 7231 75 . HOH O 18 O2H2u 0.660 1.460 6.011 57.846 1.460 39.620 possible 7232 76 . HOH O 18 O2H2u 0.660 1.460 2.602 28.053 1.460 19.215 [OK] 7233 77 . HOH O 18 O2H2u 0.660 1.460 2.376 25.155 1.460 17.230 [OK] 7234 78 . HOH O 18 O2H2u 0.660 1.460 5.578 61.640 1.460 42.219 possible 7235 79 . HOH O 18 O2H2u 0.660 1.460 2.778 28.772 1.460 19.707 [OK] 7236 80 . HOH O 18 O2H2u 0.660 1.460 2.883 32.609 1.460 22.335 [OK] 7237 81 . HOH O 18 O2H2u 0.660 1.460 3.395 44.270 1.460 30.322 possible 7238 82 . HOH O 18 O2H2u 0.660 1.460 4.594 28.235 1.460 19.339 possible 7239 83 . HOH O 18 O2H2u 0.660 1.460 26.915 -1.000 1.460 -1.000 bad 7240 84 . HOH O 18 O2H2u 0.660 1.460 3.279 43.218 1.460 29.601 possible 7241 85 . HOH O 18 O2H2u 0.660 1.460 3.308 32.708 1.460 22.403 possible 7242 86 . HOH O 18 O2H2u 0.660 1.460 25.962 -1.000 1.460 -1.000 bad 7243 87 . HOH O 18 O2H2u 0.660 1.460 53.209 -1.000 1.460 -1.000 bad 7244 88 . HOH O 18 O2H2u 0.660 1.460 4.742 38.863 1.460 26.618 possible 7245 89 . HOH O 18 O2H2u 0.660 1.460 2.313 19.336 1.460 13.244 [OK] 7246 90 . HOH O 18 O2H2u 0.660 1.460 23.559 -1.000 1.460 -1.000 bad 7247 91 . HOH O 18 O2H2u 0.660 1.460 3.206 42.056 1.460 28.806 possible 7248 92 . HOH O 18 O2H2u 0.660 1.460 2.927 29.104 1.460 19.934 [OK] 7249 93 . HOH O 18 O2H2u 0.660 1.460 3.018 32.639 1.460 22.355 possible 7250 94 . HOH O 18 O2H2u 0.660 1.460 2.661 27.065 1.460 18.538 [OK] 7251 95 . HOH O 18 O2H2u 0.660 1.460 3.799 32.903 1.460 22.536 possible 7252 96 . HOH O 18 O2H2u 0.660 1.460 6.494 82.064 1.460 56.208 possible 7253 97 . HOH O 18 O2H2u 0.660 1.460 3.727 31.211 1.460 21.378 possible 7254 98 . HOH O 18 O2H2u 0.660 1.460 2.695 28.853 1.460 19.762 [OK] 7255 99 . HOH O 18 O2H2u 0.660 1.460 2.691 26.100 1.460 17.877 [OK] 7256 100 . HOH O 18 O2H2u 0.660 1.460 5.713 40.534 1.460 27.763 possible 7257 101 . HOH O 18 O2H2u 0.660 1.460 23.023 -1.000 1.460 -1.000 bad 7258 102 . HOH O 18 O2H2u 0.660 1.460 21.178 -1.000 1.460 -1.000 bad 7259 103 . HOH O 18 O2H2u 0.660 1.460 6.091 84.137 1.460 57.628 possible 7260 104 . HOH O 18 O2H2u 0.660 1.460 3.726 33.353 1.460 22.844 possible 7261 105 . HOH O 18 O2H2u 0.660 1.460 37.401 -1.000 1.460 -1.000 bad 7262 106 . HOH O 18 O2H2u 0.660 1.460 2.622 27.060 1.460 18.534 [OK] 7263 107 . HOH O 18 O2H2u 0.660 1.460 25.507 -1.000 1.460 -1.000 bad 7264 108 . HOH O 18 O2H2u 0.660 1.460 34.525 -1.000 1.460 -1.000 bad 7265 109 . HOH O 18 O2H2u 0.660 1.460 42.516 -1.000 1.460 -1.000 bad 7266 110 . HOH O 18 O2H2u 0.660 1.460 4.738 42.579 1.460 29.164 possible 7267 111 . HOH O 18 O2H2u 0.660 1.460 2.836 30.301 1.460 20.754 [OK] 7268 112 . HOH O 18 O2H2u 0.660 1.460 30.853 -1.000 1.460 -1.000 bad 7269 113 . HOH O 18 O2H2u 0.660 1.460 3.050 25.448 1.460 17.430 possible 7270 114 . HOH O 18 O2H2u 0.660 1.460 2.750 23.401 1.460 16.028 [OK] 7271 115 . HOH O 18 O2H2u 0.660 1.460 26.442 -1.000 1.460 -1.000 bad 7272 116 . HOH O 18 O2H2u 0.660 1.460 5.064 46.955 1.460 32.161 possible 7273 117 . HOH O 18 O2H2u 0.660 1.460 3.438 39.046 1.460 26.744 possible 7274 118 . HOH O 18 O2H2u 0.660 1.460 3.959 30.972 1.460 21.214 possible 7275 119 . HOH O 18 O2H2u 0.660 1.460 3.387 36.310 1.460 24.870 possible 7276 120 . HOH O 18 O2H2u 0.660 1.460 53.397 -1.000 1.460 -1.000 bad 7277 121 . HOH O 18 O2H2u 0.660 1.460 39.923 -1.000 1.460 -1.000 bad 7278 122 . HOH O 18 O2H2u 0.660 1.460 35.414 -1.000 1.460 -1.000 bad 7279 123 . HOH O 18 O2H2u 0.660 1.460 43.736 -1.000 1.460 -1.000 bad 7280 124 . HOH O 18 O2H2u 0.660 1.460 2.661 26.715 1.460 18.298 [OK] 7281 125 . HOH O 18 O2H2u 0.660 1.460 31.775 -1.000 1.460 -1.000 bad 7282 126 . HOH O 18 O2H2u 0.660 1.460 3.774 34.695 1.460 23.764 possible 7283 127 . HOH O 18 O2H2u 0.660 1.460 2.941 34.130 1.460 23.376 [OK] 7284 128 . HOH O 18 O2H2u 0.660 1.460 28.620 -1.000 1.460 -1.000 bad 7285 129 . HOH O 18 O2H2u 0.660 1.460 35.341 -1.000 1.460 -1.000 bad 7286 130 . HOH O 18 O2H2u 0.660 1.460 28.900 -1.000 1.460 -1.000 bad 7287 131 . HOH O 18 O2H2u 0.660 1.460 46.612 -1.000 1.460 -1.000 bad 7288 132 . HOH O 18 O2H2u 0.660 1.460 33.111 -1.000 1.460 -1.000 bad 7289 133 . HOH O 18 O2H2u 0.660 1.460 6.618 58.147 1.460 39.827 possible 7290 134 . HOH O 18 O2H2u 0.660 1.460 3.190 31.240 1.460 21.397 possible 7291 135 . HOH O 18 O2H2u 0.660 1.460 2.572 23.962 1.460 16.412 [OK] 7292 136 . HOH O 18 O2H2u 0.660 1.460 2.847 32.227 1.460 22.073 [OK] 7293 137 . HOH O 18 O2H2u 0.660 1.460 2.862 32.910 1.460 22.541 [OK] 7294 138 . HOH O 18 O2H2u 0.660 1.460 74.029 -1.000 1.460 -1.000 bad 7295 139 . HOH O 18 O2H2u 0.660 1.460 22.408 -1.000 1.460 -1.000 bad 7296 140 . HOH O 18 O2H2u 0.660 1.460 2.700 20.857 1.460 14.286 [OK] 7297 141 . HOH O 18 O2H2u 0.660 1.460 22.152 -1.000 1.460 -1.000 bad 7298 142 . HOH O 18 O2H2u 0.660 1.460 36.834 -1.000 1.460 -1.000 bad 7299 143 . HOH O 18 O2H2u 0.660 1.460 30.047 -1.000 1.460 -1.000 bad 7300 144 . HOH O 18 O2H2u 0.660 1.460 47.634 -1.000 1.460 -1.000 bad 7301 145 . HOH O 18 O2H2u 0.660 1.460 42.888 -1.000 1.460 -1.000 bad 7302 146 . HOH O 18 O2H2u 0.660 1.460 3.285 30.290 1.460 20.747 possible 7303 147 . HOH O 18 O2H2u 0.660 1.460 4.505 32.947 1.460 22.567 possible 7304 148 . HOH O 18 O2H2u 0.660 1.460 25.450 -1.000 1.460 -1.000 bad 7305 149 . HOH O 18 O2H2u 0.660 1.460 36.557 -1.000 1.460 -1.000 bad 7306 150 . HOH O 18 O2H2u 0.660 1.460 4.523 53.441 1.460 36.604 possible 7307 151 . HOH O 18 O2H2u 0.660 1.460 34.487 -1.000 1.460 -1.000 bad 7308 152 . HOH O 18 O2H2u 0.660 1.460 62.447 -1.000 1.460 -1.000 bad 7309 153 . HOH O 18 O2H2u 0.660 1.460 34.636 -1.000 1.460 -1.000 bad 7310 154 . HOH O 18 O2H2u 0.660 1.460 3.254 32.655 1.460 22.366 possible 7311 155 . HOH O 18 O2H2u 0.660 1.460 31.648 -1.000 1.460 -1.000 bad 7312 156 . HOH O 18 O2H2u 0.660 1.460 33.562 -1.000 1.460 -1.000 bad 7313 157 . HOH O 18 O2H2u 0.660 1.460 6.099 47.854 1.460 32.777 possible 7314 158 . HOH O 18 O2H2u 0.660 1.460 4.698 51.302 1.460 35.138 possible 7315 159 . HOH O 18 O2H2u 0.660 1.460 45.337 -1.000 1.460 -1.000 bad 7316 160 . HOH O 18 O2H2u 0.660 1.460 29.107 -1.000 1.460 -1.000 bad