number_ resnum chain resname atname typenum typenam covrad vdwrad surface volume refvol packeff goodbad 1 1 A MET N 12 N3H1s 0.700 1.640 25.361 -1.000 13.564 -1.000 bad 2 1 A MET CA 3 C4H1s 0.770 1.880 3.491 15.156 13.231 1.145 possible 3 1 A MET C 1 C3H0s 0.770 1.610 4.020 9.842 8.782 1.121 possible 4 1 A MET O 16 O1H0u 0.660 1.420 4.221 23.162 16.277 1.423 possible 5 1 A MET CB 8 C4H2s 0.770 1.880 23.300 -1.000 23.645 -1.000 bad 6 1 A MET CG 9 C4H2b 0.770 1.880 34.794 -1.000 24.009 -1.000 bad 7 1 A MET SD 19 S2H0u 1.040 1.770 5.409 58.283 30.093 1.937 possible 8 1 A MET CE 10 C4H3u 0.770 1.880 7.048 116.789 37.161 3.143 possible 9 2 A PHE N 12 N3H1s 0.700 1.640 5.527 27.631 13.691 2.018 possible 10 2 A PHE CA 3 C4H1s 0.770 1.880 5.424 21.646 13.449 1.609 possible 11 2 A PHE C 1 C3H0s 0.770 1.610 2.245 8.145 8.753 0.931 [OK] 12 2 A PHE O 16 O1H0u 0.660 1.420 2.529 15.230 16.151 0.943 [OK] 13 2 A PHE CB 8 C4H2s 0.770 1.880 24.207 -1.000 23.777 -1.000 bad 14 2 A PHE CG 2 C3H0b 0.770 1.610 0.528 -1.000 9.721 -1.000 bad 15 2 A PHE CD1 5 C3H1s 0.770 1.760 19.477 -1.000 20.405 -1.000 bad 16 2 A PHE CD2 6 C3H1b 0.770 1.760 8.939 -1.000 21.051 -1.000 bad 17 2 A PHE CE1 6 C3H1b 0.770 1.760 5.414 -1.000 21.580 -1.000 bad 18 2 A PHE CE2 6 C3H1b 0.770 1.760 21.061 -1.000 21.680 -1.000 bad 19 2 A PHE CZ 6 C3H1b 0.770 1.760 20.893 -1.000 21.666 -1.000 bad 20 3 A ILE N 12 N3H1s 0.700 1.640 2.691 13.890 13.633 1.019 [OK] 21 3 A ILE CA 3 C4H1s 0.770 1.880 2.972 13.972 13.007 1.074 [OK] 22 3 A ILE C 1 C3H0s 0.770 1.610 2.243 7.572 8.470 0.894 [OK] 23 3 A ILE O 16 O1H0u 0.660 1.420 2.221 13.809 16.144 0.855 [OK] 24 3 A ILE CB 4 C4H1b 0.770 1.880 6.515 25.126 14.227 1.766 possible 25 3 A ILE CG1 9 C4H2b 0.770 1.880 18.654 -1.000 24.187 -1.000 bad 26 3 A ILE CG2 10 C4H3u 0.770 1.880 5.868 56.206 35.961 1.563 possible 27 3 A ILE CD1 10 C4H3u 0.770 1.880 46.149 -1.000 38.377 -1.000 bad 28 4 A ASN N 12 N3H1s 0.700 1.640 2.672 15.555 13.695 1.136 [OK] 29 4 A ASN CA 3 C4H1s 0.770 1.880 2.734 13.625 13.167 1.035 [OK] 30 4 A ASN C 1 C3H0s 0.770 1.610 2.330 8.357 8.928 0.936 [OK] 31 4 A ASN O 16 O1H0u 0.660 1.420 2.907 20.432 16.199 1.261 [OK] 32 4 A ASN CB 8 C4H2s 0.770 1.880 4.320 32.035 23.128 1.385 possible 33 4 A ASN CG 2 C3H0b 0.770 1.610 4.582 15.207 9.599 1.584 possible 34 4 A ASN OD1 16 O1H0u 0.660 1.420 23.051 -1.000 16.664 -1.000 bad 35 4 A ASN ND2 15 N3H2u 0.700 1.640 6.413 86.529 23.083 3.749 possible 36 5 A ARG N 12 N3H1s 0.700 1.640 2.481 13.483 13.650 0.988 [OK] 37 5 A ARG CA 3 C4H1s 0.770 1.880 3.249 15.301 13.422 1.140 possible 38 5 A ARG C 1 C3H0s 0.770 1.610 2.375 8.797 8.838 0.995 [OK] 39 5 A ARG O 16 O1H0u 0.660 1.420 2.875 21.131 16.084 1.314 [OK] 40 5 A ARG CB 8 C4H2s 0.770 1.880 3.483 22.881 23.088 0.991 possible 41 5 A ARG CG 8 C4H2s 0.770 1.880 3.047 22.869 23.640 0.967 possible 42 5 A ARG CD 8 C4H2s 0.770 1.880 5.130 32.721 23.300 1.404 possible 43 5 A ARG NE 13 N3H1b 0.700 1.640 2.517 13.887 15.569 0.892 [OK] 44 5 A ARG CZ 2 C3H0b 0.770 1.610 2.675 10.215 9.747 1.048 [OK] 45 5 A ARG NH1 15 N3H2u 0.700 1.640 4.882 36.191 22.782 1.589 possible 46 5 A ARG NH2 15 N3H2u 0.700 1.640 3.481 33.482 23.810 1.406 possible 47 6 A TRP N 12 N3H1s 0.700 1.640 2.295 11.701 13.791 0.848 [OK] 48 6 A TRP CA 3 C4H1s 0.770 1.880 2.973 12.500 13.377 0.934 [OK] 49 6 A TRP C 1 C3H0s 0.770 1.610 2.479 9.622 8.724 1.103 [OK] 50 6 A TRP O 16 O1H0u 0.660 1.420 3.361 22.798 15.951 1.429 possible 51 6 A TRP CB 8 C4H2s 0.770 1.880 4.338 32.420 24.004 1.351 possible 52 6 A TRP CG 2 C3H0b 0.770 1.610 2.535 9.535 9.965 0.957 [OK] 53 6 A TRP CD1 5 C3H1s 0.770 1.760 3.294 20.657 20.874 0.990 possible 54 6 A TRP CD2 2 C3H0b 0.770 1.610 2.615 9.879 10.097 0.978 [OK] 55 6 A TRP NE1 13 N3H1b 0.700 1.640 5.685 32.866 16.969 1.937 possible 56 6 A TRP CE2 2 C3H0b 0.770 1.610 2.523 9.147 9.889 0.925 [OK] 57 6 A TRP CE3 6 C3H1b 0.770 1.760 2.972 21.996 20.448 1.076 [OK] 58 6 A TRP CZ2 6 C3H1b 0.770 1.760 3.162 20.583 21.012 0.980 possible 59 6 A TRP CZ3 6 C3H1b 0.770 1.760 2.891 20.453 21.516 0.951 [OK] 60 6 A TRP CH2 6 C3H1b 0.770 1.760 3.006 20.415 21.339 0.957 possible 61 7 A LEU N 12 N3H1s 0.700 1.640 2.764 13.467 13.655 0.986 [OK] 62 7 A LEU CA 3 C4H1s 0.770 1.880 2.872 12.688 13.122 0.967 [OK] 63 7 A LEU C 1 C3H0s 0.770 1.610 2.982 9.587 8.825 1.086 [OK] 64 7 A LEU O 16 O1H0u 0.660 1.420 2.767 20.733 16.208 1.279 [OK] 65 7 A LEU CB 8 C4H2s 0.770 1.880 2.995 22.429 22.951 0.977 [OK] 66 7 A LEU CG 4 C4H1b 0.770 1.880 3.340 17.297 14.764 1.172 possible 67 7 A LEU CD1 10 C4H3u 0.770 1.880 33.409 -1.000 37.425 -1.000 bad 68 7 A LEU CD2 10 C4H3u 0.770 1.880 18.828 -1.000 37.143 -1.000 bad 69 8 A PHE N 12 N3H1s 0.700 1.640 2.422 12.985 13.691 0.948 [OK] 70 8 A PHE CA 3 C4H1s 0.770 1.880 2.763 13.096 13.449 0.974 [OK] 71 8 A PHE C 1 C3H0s 0.770 1.610 2.577 9.362 8.753 1.070 [OK] 72 8 A PHE O 16 O1H0u 0.660 1.420 2.817 16.212 16.151 1.004 [OK] 73 8 A PHE CB 8 C4H2s 0.770 1.880 2.824 21.397 23.777 0.900 [OK] 74 8 A PHE CG 2 C3H0b 0.770 1.610 2.334 9.974 9.721 1.026 [OK] 75 8 A PHE CD1 5 C3H1s 0.770 1.760 2.901 17.475 20.405 0.856 [OK] 76 8 A PHE CD2 6 C3H1b 0.770 1.760 3.286 26.169 21.051 1.243 possible 77 8 A PHE CE1 6 C3H1b 0.770 1.760 3.449 25.166 21.580 1.166 possible 78 8 A PHE CE2 6 C3H1b 0.770 1.760 4.539 36.206 21.680 1.670 possible 79 8 A PHE CZ 6 C3H1b 0.770 1.760 3.823 24.824 21.666 1.146 possible 80 9 A SER N 12 N3H1s 0.700 1.640 3.015 17.166 14.103 1.217 possible 81 9 A SER CA 3 C4H1s 0.770 1.880 3.381 16.862 13.476 1.251 possible 82 9 A SER C 1 C3H0s 0.770 1.610 2.268 8.225 8.923 0.922 [OK] 83 9 A SER O 16 O1H0u 0.660 1.420 2.868 19.161 16.179 1.184 [OK] 84 9 A SER CB 8 C4H2s 0.770 1.880 3.199 28.479 23.884 1.192 possible 85 9 A SER OG 17 O2H1u 0.660 1.460 2.782 20.887 18.732 1.115 [OK] 86 10 A THR N 12 N3H1s 0.700 1.640 3.060 16.350 13.832 1.182 possible 87 10 A THR CA 3 C4H1s 0.770 1.880 2.663 14.266 13.099 1.089 [OK] 88 10 A THR C 1 C3H0s 0.770 1.610 2.974 10.623 8.738 1.216 [OK] 89 10 A THR O 16 O1H0u 0.660 1.420 3.215 26.855 16.020 1.676 possible 90 10 A THR CB 4 C4H1b 0.770 1.880 3.073 14.784 14.829 0.997 possible 91 10 A THR OG1 17 O2H1u 0.660 1.460 3.643 31.940 18.123 1.762 possible 92 10 A THR CG2 10 C4H3u 0.770 1.880 3.378 35.016 36.542 0.958 possible 93 11 A ASN N 12 N3H1s 0.700 1.640 2.871 13.750 13.695 1.004 [OK] 94 11 A ASN CA 3 C4H1s 0.770 1.880 3.208 13.601 13.167 1.033 possible 95 11 A ASN C 1 C3H0s 0.770 1.610 2.927 8.758 8.928 0.981 [OK] 96 11 A ASN O 16 O1H0u 0.660 1.420 2.123 13.865 16.199 0.856 [OK] 97 11 A ASN CB 8 C4H2s 0.770 1.880 3.704 24.840 23.128 1.074 possible 98 11 A ASN CG 2 C3H0b 0.770 1.610 2.401 8.661 9.599 0.902 [OK] 99 11 A ASN OD1 16 O1H0u 0.660 1.420 3.032 18.628 16.664 1.118 possible 100 11 A ASN ND2 15 N3H2u 0.700 1.640 3.455 33.945 23.083 1.471 possible 101 12 A HIS N 12 N3H1s 0.700 1.640 2.991 15.138 13.715 1.104 [OK] 102 12 A HIS CA 3 C4H1s 0.770 1.880 3.067 16.189 13.467 1.202 possible 103 12 A HIS C 1 C3H0s 0.770 1.610 2.181 7.955 8.882 0.896 [OK] 104 12 A HIS O 16 O1H0u 0.660 1.420 2.529 17.651 16.082 1.098 [OK] 105 12 A HIS CB 8 C4H2s 0.770 1.880 2.918 25.085 23.653 1.061 [OK] 106 12 A HIS CG 2 C3H0b 0.770 1.610 2.448 9.009 9.952 0.905 [OK] 107 12 A HIS ND1 13 N3H1b 0.700 1.640 2.590 14.480 15.506 0.934 [OK] 108 12 A HIS CD2 5 C3H1s 0.770 1.760 3.192 23.475 21.085 1.113 possible 109 12 A HIS CE1 5 C3H1s 0.770 1.760 2.741 19.857 20.636 0.962 [OK] 110 12 A HIS NE2 13 N3H1b 0.700 1.640 2.947 19.295 15.337 1.258 [OK] 111 13 A LYS N 12 N3H1s 0.700 1.640 2.559 12.381 13.675 0.905 [OK] 112 13 A LYS CA 3 C4H1s 0.770 1.880 2.781 15.042 13.324 1.129 [OK] 113 13 A LYS C 1 C3H0s 0.770 1.610 3.165 8.962 8.759 1.023 possible 114 13 A LYS O 16 O1H0u 0.660 1.420 3.049 16.710 16.049 1.041 possible 115 13 A LYS CB 8 C4H2s 0.770 1.880 3.819 28.912 22.904 1.262 possible 116 13 A LYS CG 8 C4H2s 0.770 1.880 2.834 21.767 23.131 0.941 [OK] 117 13 A LYS CD 8 C4H2s 0.770 1.880 3.867 32.417 23.837 1.360 possible 118 13 A LYS CE 9 C4H2b 0.770 1.880 2.770 22.330 23.934 0.933 [OK] 119 13 A LYS NZ 14 N4H3u 0.700 1.640 3.133 23.989 21.213 1.131 possible 120 14 A ASP N 12 N3H1s 0.700 1.640 2.507 12.943 13.895 0.932 [OK] 121 14 A ASP CA 3 C4H1s 0.770 1.880 2.983 13.324 13.377 0.996 [OK] 122 14 A ASP C 1 C3H0s 0.770 1.610 2.714 8.863 8.816 1.005 [OK] 123 14 A ASP O 16 O1H0u 0.660 1.420 2.457 15.294 16.091 0.950 [OK] 124 14 A ASP CB 8 C4H2s 0.770 1.880 3.103 25.045 23.481 1.067 possible 125 14 A ASP CG 2 C3H0b 0.770 1.610 2.443 9.389 9.422 0.996 [OK] 126 14 A ASP OD1 16 O1H0u 0.660 1.420 3.215 25.798 15.505 1.664 possible 127 14 A ASP OD2 16 O1H0u 0.660 1.420 2.672 18.388 16.324 1.126 [OK] 128 15 A ILE N 12 N3H1s 0.700 1.640 2.701 13.690 13.633 1.004 [OK] 129 15 A ILE CA 3 C4H1s 0.770 1.880 2.882 13.175 13.007 1.013 [OK] 130 15 A ILE C 1 C3H0s 0.770 1.610 2.538 7.864 8.470 0.928 [OK] 131 15 A ILE O 16 O1H0u 0.660 1.420 2.512 14.581 16.144 0.903 [OK] 132 15 A ILE CB 4 C4H1b 0.770 1.880 2.937 14.963 14.227 1.052 [OK] 133 15 A ILE CG1 9 C4H2b 0.770 1.880 3.102 24.111 24.187 0.997 possible 134 15 A ILE CG2 10 C4H3u 0.770 1.880 3.213 39.011 35.961 1.085 possible 135 15 A ILE CD1 10 C4H3u 0.770 1.880 3.442 38.943 38.377 1.015 possible 136 16 A GLY N 12 N3H1s 0.700 1.640 2.548 14.312 14.854 0.964 [OK] 137 16 A GLY CA 8 C4H2s 0.770 1.880 2.841 24.805 23.688 1.047 [OK] 138 16 A GLY C 2 C3H0b 0.770 1.610 2.381 8.685 9.840 0.883 [OK] 139 16 A GLY O 16 O1H0u 0.660 1.420 2.477 15.797 16.391 0.964 [OK] 140 17 A THR N 12 N3H1s 0.700 1.640 2.403 12.394 13.832 0.896 [OK] 141 17 A THR CA 3 C4H1s 0.770 1.880 3.175 15.191 13.099 1.160 possible 142 17 A THR C 1 C3H0s 0.770 1.610 2.597 8.055 8.738 0.922 [OK] 143 17 A THR O 16 O1H0u 0.660 1.420 3.294 16.464 16.020 1.028 possible 144 17 A THR CB 4 C4H1b 0.770 1.880 2.779 14.604 14.829 0.985 [OK] 145 17 A THR OG1 17 O2H1u 0.660 1.460 3.470 30.683 18.123 1.693 possible 146 17 A THR CG2 10 C4H3u 0.770 1.880 5.144 58.852 36.542 1.611 possible 147 18 A LEU N 12 N3H1s 0.700 1.640 2.705 13.191 13.655 0.966 [OK] 148 18 A LEU CA 3 C4H1s 0.770 1.880 3.067 14.067 13.122 1.072 possible 149 18 A LEU C 1 C3H0s 0.770 1.610 2.227 8.140 8.825 0.922 [OK] 150 18 A LEU O 16 O1H0u 0.660 1.420 3.639 17.708 16.208 1.093 possible 151 18 A LEU CB 8 C4H2s 0.770 1.880 3.001 21.149 22.951 0.921 possible 152 18 A LEU CG 4 C4H1b 0.770 1.880 3.304 15.998 14.764 1.084 possible 153 18 A LEU CD1 10 C4H3u 0.770 1.880 6.081 68.657 37.425 1.835 possible 154 18 A LEU CD2 10 C4H3u 0.770 1.880 3.205 46.042 37.143 1.240 possible 155 19 A TYR N 12 N3H1s 0.700 1.640 2.466 13.186 13.691 0.963 [OK] 156 19 A TYR CA 3 C4H1s 0.770 1.880 3.003 13.858 13.330 1.040 possible 157 19 A TYR C 1 C3H0s 0.770 1.610 2.644 8.251 8.770 0.941 [OK] 158 19 A TYR O 16 O1H0u 0.660 1.420 2.613 17.542 16.124 1.088 [OK] 159 19 A TYR CB 8 C4H2s 0.770 1.880 2.854 21.016 23.678 0.888 [OK] 160 19 A TYR CG 2 C3H0b 0.770 1.610 2.232 9.093 9.732 0.934 [OK] 161 19 A TYR CD1 5 C3H1s 0.770 1.760 2.960 19.827 20.171 0.983 [OK] 162 19 A TYR CD2 5 C3H1s 0.770 1.760 2.725 18.902 20.728 0.912 [OK] 163 19 A TYR CE1 5 C3H1s 0.770 1.760 4.182 26.102 20.675 1.262 possible 164 19 A TYR CE2 5 C3H1s 0.770 1.760 3.028 21.989 20.810 1.057 possible 165 19 A TYR CZ 2 C3H0b 0.770 1.610 2.704 9.739 9.926 0.981 [OK] 166 19 A TYR OH 17 O2H1u 0.660 1.460 3.754 36.341 19.173 1.895 possible 167 20 A LEU N 12 N3H1s 0.700 1.640 2.668 13.514 13.655 0.990 [OK] 168 20 A LEU CA 3 C4H1s 0.770 1.880 2.817 13.965 13.122 1.064 [OK] 169 20 A LEU C 1 C3H0s 0.770 1.610 3.695 8.740 8.825 0.990 possible 170 20 A LEU O 16 O1H0u 0.660 1.420 3.995 23.103 16.208 1.425 possible 171 20 A LEU CB 8 C4H2s 0.770 1.880 5.145 38.339 22.951 1.670 possible 172 20 A LEU CG 4 C4H1b 0.770 1.880 2.750 13.506 14.764 0.915 [OK] 173 20 A LEU CD1 10 C4H3u 0.770 1.880 5.073 60.268 37.425 1.610 possible 174 20 A LEU CD2 10 C4H3u 0.770 1.880 3.203 42.074 37.143 1.133 possible 175 21 A LEU N 12 N3H1s 0.700 1.640 3.605 13.650 13.655 1.000 possible 176 21 A LEU CA 3 C4H1s 0.770 1.880 3.811 15.253 13.122 1.162 possible 177 21 A LEU C 1 C3H0s 0.770 1.610 3.473 9.084 8.825 1.029 possible 178 21 A LEU O 16 O1H0u 0.660 1.420 3.091 17.617 16.208 1.087 possible 179 21 A LEU CB 8 C4H2s 0.770 1.880 5.334 34.728 22.951 1.513 possible 180 21 A LEU CG 4 C4H1b 0.770 1.880 5.359 23.856 14.764 1.616 possible 181 21 A LEU CD1 10 C4H3u 0.770 1.880 5.658 57.699 37.425 1.542 possible 182 21 A LEU CD2 10 C4H3u 0.770 1.880 5.181 80.930 37.143 2.179 possible 183 22 A PHE N 12 N3H1s 0.700 1.640 4.667 16.438 13.691 1.201 possible 184 22 A PHE CA 3 C4H1s 0.770 1.880 5.100 23.512 13.449 1.748 possible 185 22 A PHE C 1 C3H0s 0.770 1.610 2.185 7.534 8.753 0.861 [OK] 186 22 A PHE O 16 O1H0u 0.660 1.420 2.787 17.283 16.151 1.070 [OK] 187 22 A PHE CB 8 C4H2s 0.770 1.880 4.185 24.518 23.777 1.031 possible 188 22 A PHE CG 2 C3H0b 0.770 1.610 2.702 10.264 9.721 1.056 [OK] 189 22 A PHE CD1 5 C3H1s 0.770 1.760 5.566 44.848 20.405 2.198 possible 190 22 A PHE CD2 6 C3H1b 0.770 1.760 3.007 21.132 21.051 1.004 possible 191 22 A PHE CE1 6 C3H1b 0.770 1.760 4.741 30.363 21.580 1.407 possible 192 22 A PHE CE2 6 C3H1b 0.770 1.760 2.910 20.374 21.680 0.940 [OK] 193 22 A PHE CZ 6 C3H1b 0.770 1.760 3.002 20.067 21.666 0.926 possible 194 23 A GLY N 12 N3H1s 0.700 1.640 2.518 14.028 14.854 0.944 [OK] 195 23 A GLY CA 8 C4H2s 0.770 1.880 2.816 24.265 23.688 1.024 [OK] 196 23 A GLY C 2 C3H0b 0.770 1.610 2.269 8.711 9.840 0.885 [OK] 197 23 A GLY O 16 O1H0u 0.660 1.420 2.440 16.874 16.391 1.029 [OK] 198 24 A ALA N 12 N3H1s 0.700 1.640 2.651 13.810 14.046 0.983 [OK] 199 24 A ALA CA 4 C4H1b 0.770 1.880 3.007 15.149 14.063 1.077 possible 200 24 A ALA C 1 C3H0s 0.770 1.610 2.466 8.425 8.900 0.947 [OK] 201 24 A ALA O 16 O1H0u 0.660 1.420 2.734 18.084 16.188 1.117 [OK] 202 24 A ALA CB 10 C4H3u 0.770 1.880 4.640 47.801 36.782 1.300 possible 203 25 A TRP N 12 N3H1s 0.700 1.640 2.627 13.823 13.791 1.002 [OK] 204 25 A TRP CA 3 C4H1s 0.770 1.880 2.988 15.746 13.377 1.177 [OK] 205 25 A TRP C 1 C3H0s 0.770 1.610 2.138 7.896 8.724 0.905 [OK] 206 25 A TRP O 16 O1H0u 0.660 1.420 2.556 16.231 15.951 1.018 [OK] 207 25 A TRP CB 8 C4H2s 0.770 1.880 4.465 27.341 24.004 1.139 possible 208 25 A TRP CG 2 C3H0b 0.770 1.610 4.376 12.763 9.965 1.281 possible 209 25 A TRP CD1 5 C3H1s 0.770 1.760 3.659 22.919 20.874 1.098 possible 210 25 A TRP CD2 2 C3H0b 0.770 1.610 6.144 17.603 10.097 1.743 possible 211 25 A TRP NE1 13 N3H1b 0.700 1.640 5.944 26.102 16.969 1.538 possible 212 25 A TRP CE2 2 C3H0b 0.770 1.610 6.572 18.076 9.889 1.828 possible 213 25 A TRP CE3 6 C3H1b 0.770 1.760 6.090 33.064 20.448 1.617 possible 214 25 A TRP CZ2 6 C3H1b 0.770 1.760 15.854 -1.000 21.012 -1.000 bad 215 25 A TRP CZ3 6 C3H1b 0.770 1.760 6.123 37.686 21.516 1.752 possible 216 25 A TRP CH2 6 C3H1b 0.770 1.760 13.993 -1.000 21.339 -1.000 bad 217 26 A ALA N 12 N3H1s 0.700 1.640 2.919 13.744 14.046 0.979 [OK] 218 26 A ALA CA 4 C4H1b 0.770 1.880 2.659 14.712 14.063 1.046 [OK] 219 26 A ALA C 1 C3H0s 0.770 1.610 2.586 8.584 8.900 0.964 [OK] 220 26 A ALA O 16 O1H0u 0.660 1.420 2.586 15.049 16.188 0.930 [OK] 221 26 A ALA CB 10 C4H3u 0.770 1.880 3.156 33.750 36.782 0.918 possible 222 27 A GLY N 12 N3H1s 0.700 1.640 2.399 13.241 14.854 0.891 [OK] 223 27 A GLY CA 8 C4H2s 0.770 1.880 3.099 26.331 23.688 1.112 possible 224 27 A GLY C 2 C3H0b 0.770 1.610 2.392 8.892 9.840 0.904 [OK] 225 27 A GLY O 16 O1H0u 0.660 1.420 2.659 16.530 16.391 1.008 [OK] 226 28 A MET N 12 N3H1s 0.700 1.640 2.351 11.786 13.564 0.869 [OK] 227 28 A MET CA 3 C4H1s 0.770 1.880 3.120 14.243 13.231 1.076 possible 228 28 A MET C 1 C3H0s 0.770 1.610 2.205 8.458 8.782 0.963 [OK] 229 28 A MET O 16 O1H0u 0.660 1.420 2.526 15.151 16.277 0.931 [OK] 230 28 A MET CB 8 C4H2s 0.770 1.880 3.033 23.663 23.645 1.001 possible 231 28 A MET CG 9 C4H2b 0.770 1.880 3.061 23.720 24.009 0.988 possible 232 28 A MET SD 19 S2H0u 1.040 1.770 3.154 29.570 30.093 0.983 possible 233 28 A MET CE 10 C4H3u 0.770 1.880 3.253 39.582 37.161 1.065 possible 234 29 A VAL N 12 N3H1s 0.700 1.640 2.430 13.036 13.676 0.953 [OK] 235 29 A VAL CA 3 C4H1s 0.770 1.880 2.691 12.893 13.123 0.982 [OK] 236 29 A VAL C 1 C3H0s 0.770 1.610 2.345 7.471 8.563 0.872 [OK] 237 29 A VAL O 16 O1H0u 0.660 1.420 2.134 13.549 16.181 0.837 [OK] 238 29 A VAL CB 4 C4H1b 0.770 1.880 2.672 13.333 14.598 0.913 [OK] 239 29 A VAL CG1 10 C4H3u 0.770 1.880 3.629 40.288 36.584 1.101 possible 240 29 A VAL CG2 10 C4H3u 0.770 1.880 3.183 37.511 36.332 1.032 possible 241 30 A GLY N 12 N3H1s 0.700 1.640 2.472 12.801 14.854 0.862 [OK] 242 30 A GLY CA 8 C4H2s 0.770 1.880 2.933 26.137 23.688 1.103 [OK] 243 30 A GLY C 2 C3H0b 0.770 1.610 2.396 8.727 9.840 0.887 [OK] 244 30 A GLY O 16 O1H0u 0.660 1.420 2.487 17.054 16.391 1.040 [OK] 245 31 A THR N 12 N3H1s 0.700 1.640 2.455 12.433 13.832 0.899 [OK] 246 31 A THR CA 3 C4H1s 0.770 1.880 2.750 13.297 13.099 1.015 [OK] 247 31 A THR C 1 C3H0s 0.770 1.610 2.370 8.220 8.738 0.941 [OK] 248 31 A THR O 16 O1H0u 0.660 1.420 2.568 14.671 16.020 0.916 [OK] 249 31 A THR CB 4 C4H1b 0.770 1.880 3.269 15.891 14.829 1.072 possible 250 31 A THR OG1 17 O2H1u 0.660 1.460 2.613 20.460 18.123 1.129 [OK] 251 31 A THR CG2 10 C4H3u 0.770 1.880 3.709 44.861 36.542 1.228 possible 252 32 A ALA N 12 N3H1s 0.700 1.640 2.322 12.471 14.046 0.888 [OK] 253 32 A ALA CA 4 C4H1b 0.770 1.880 3.015 15.020 14.063 1.068 possible 254 32 A ALA C 1 C3H0s 0.770 1.610 2.613 8.428 8.900 0.947 [OK] 255 32 A ALA O 16 O1H0u 0.660 1.420 2.493 16.411 16.188 1.014 [OK] 256 32 A ALA CB 10 C4H3u 0.770 1.880 2.903 30.368 36.782 0.826 [OK] 257 33 A LEU N 12 N3H1s 0.700 1.640 2.418 12.875 13.655 0.943 [OK] 258 33 A LEU CA 3 C4H1s 0.770 1.880 2.734 14.012 13.122 1.068 [OK] 259 33 A LEU C 1 C3H0s 0.770 1.610 2.465 8.481 8.825 0.961 [OK] 260 33 A LEU O 16 O1H0u 0.660 1.420 2.477 15.114 16.208 0.932 [OK] 261 33 A LEU CB 8 C4H2s 0.770 1.880 2.907 22.121 22.951 0.964 [OK] 262 33 A LEU CG 4 C4H1b 0.770 1.880 2.914 12.833 14.764 0.869 [OK] 263 33 A LEU CD1 10 C4H3u 0.770 1.880 3.723 36.956 37.425 0.987 possible 264 33 A LEU CD2 10 C4H3u 0.770 1.880 3.846 50.636 37.143 1.363 possible 265 34 A SER N 12 N3H1s 0.700 1.640 2.487 13.040 14.103 0.925 [OK] 266 34 A SER CA 3 C4H1s 0.770 1.880 2.804 14.405 13.476 1.069 [OK] 267 34 A SER C 1 C3H0s 0.770 1.610 2.797 8.799 8.923 0.986 [OK] 268 34 A SER O 16 O1H0u 0.660 1.420 2.662 18.471 16.179 1.142 [OK] 269 34 A SER CB 8 C4H2s 0.770 1.880 2.747 20.724 23.884 0.868 [OK] 270 34 A SER OG 17 O2H1u 0.660 1.460 3.136 21.725 18.732 1.160 possible 271 35 A LEU N 12 N3H1s 0.700 1.640 2.630 12.372 13.655 0.906 [OK] 272 35 A LEU CA 3 C4H1s 0.770 1.880 2.776 12.876 13.122 0.981 [OK] 273 35 A LEU C 1 C3H0s 0.770 1.610 3.068 9.324 8.825 1.056 possible 274 35 A LEU O 16 O1H0u 0.660 1.420 3.306 21.170 16.208 1.306 possible 275 35 A LEU CB 8 C4H2s 0.770 1.880 4.031 32.521 22.951 1.417 possible 276 35 A LEU CG 4 C4H1b 0.770 1.880 3.604 17.987 14.764 1.218 possible 277 35 A LEU CD1 10 C4H3u 0.770 1.880 4.309 43.334 37.425 1.158 possible 278 35 A LEU CD2 10 C4H3u 0.770 1.880 3.563 40.705 37.143 1.096 possible 279 36 A LEU N 12 N3H1s 0.700 1.640 3.012 13.564 13.655 0.993 possible 280 36 A LEU CA 3 C4H1s 0.770 1.880 3.315 14.178 13.122 1.080 possible 281 36 A LEU C 1 C3H0s 0.770 1.610 2.906 9.122 8.825 1.034 [OK] 282 36 A LEU O 16 O1H0u 0.660 1.420 2.861 20.538 16.208 1.267 [OK] 283 36 A LEU CB 8 C4H2s 0.770 1.880 3.010 24.115 22.951 1.051 possible 284 36 A LEU CG 4 C4H1b 0.770 1.880 2.818 14.133 14.764 0.957 [OK] 285 36 A LEU CD1 10 C4H3u 0.770 1.880 3.041 37.688 37.425 1.007 possible 286 36 A LEU CD2 10 C4H3u 0.770 1.880 3.580 46.325 37.143 1.247 possible 287 37 A ILE N 12 N3H1s 0.700 1.640 2.877 13.365 13.633 0.980 [OK] 288 37 A ILE CA 3 C4H1s 0.770 1.880 3.345 15.198 13.007 1.168 possible 289 37 A ILE C 1 C3H0s 0.770 1.610 2.345 7.444 8.470 0.879 [OK] 290 37 A ILE O 16 O1H0u 0.660 1.420 2.334 15.728 16.144 0.974 [OK] 291 37 A ILE CB 4 C4H1b 0.770 1.880 2.832 12.970 14.227 0.912 [OK] 292 37 A ILE CG1 9 C4H2b 0.770 1.880 3.042 22.540 24.187 0.932 possible 293 37 A ILE CG2 10 C4H3u 0.770 1.880 2.884 32.179 35.961 0.895 [OK] 294 37 A ILE CD1 10 C4H3u 0.770 1.880 2.959 37.024 38.377 0.965 [OK] 295 38 A ARG N 12 N3H1s 0.700 1.640 2.423 13.329 13.650 0.976 [OK] 296 38 A ARG CA 3 C4H1s 0.770 1.880 2.732 12.681 13.422 0.945 [OK] 297 38 A ARG C 1 C3H0s 0.770 1.610 2.911 9.220 8.838 1.043 [OK] 298 38 A ARG O 16 O1H0u 0.660 1.420 3.017 16.494 16.084 1.026 possible 299 38 A ARG CB 8 C4H2s 0.770 1.880 3.262 24.431 23.088 1.058 possible 300 38 A ARG CG 8 C4H2s 0.770 1.880 2.870 23.665 23.640 1.001 [OK] 301 38 A ARG CD 8 C4H2s 0.770 1.880 2.859 22.351 23.300 0.959 [OK] 302 38 A ARG NE 13 N3H1b 0.700 1.640 2.564 13.704 15.569 0.880 [OK] 303 38 A ARG CZ 2 C3H0b 0.770 1.610 2.421 9.308 9.747 0.955 [OK] 304 38 A ARG NH1 15 N3H2u 0.700 1.640 2.913 27.030 22.782 1.186 [OK] 305 38 A ARG NH2 15 N3H2u 0.700 1.640 2.887 21.526 23.810 0.904 [OK] 306 39 A ALA N 12 N3H1s 0.700 1.640 2.972 14.068 14.046 1.002 [OK] 307 39 A ALA CA 4 C4H1b 0.770 1.880 3.275 17.220 14.063 1.224 possible 308 39 A ALA C 1 C3H0s 0.770 1.610 2.196 8.057 8.900 0.905 [OK] 309 39 A ALA O 16 O1H0u 0.660 1.420 2.888 17.920 16.188 1.107 [OK] 310 39 A ALA CB 10 C4H3u 0.770 1.880 3.811 50.949 36.782 1.385 possible 311 40 A GLU N 12 N3H1s 0.700 1.640 2.849 13.594 13.615 0.998 [OK] 312 40 A GLU CA 3 C4H1s 0.770 1.880 2.782 13.857 13.399 1.034 [OK] 313 40 A GLU C 1 C3H0s 0.770 1.610 2.360 8.131 8.675 0.937 [OK] 314 40 A GLU O 16 O1H0u 0.660 1.420 3.113 20.508 16.023 1.280 possible 315 40 A GLU CB 8 C4H2s 0.770 1.880 3.125 25.600 23.529 1.088 possible 316 40 A GLU CG 8 C4H2s 0.770 1.880 2.766 22.462 23.513 0.955 [OK] 317 40 A GLU CD 2 C3H0b 0.770 1.610 2.756 9.253 9.460 0.978 [OK] 318 40 A GLU OE1 16 O1H0u 0.660 1.420 2.725 20.329 15.999 1.271 [OK] 319 40 A GLU OE2 16 O1H0u 0.660 1.420 2.691 16.471 17.432 0.945 [OK] 320 41 A LEU N 12 N3H1s 0.700 1.640 2.258 12.799 13.655 0.937 [OK] 321 41 A LEU CA 3 C4H1s 0.770 1.880 3.001 13.774 13.122 1.050 possible 322 41 A LEU C 1 C3H0s 0.770 1.610 2.700 9.796 8.825 1.110 [OK] 323 41 A LEU O 16 O1H0u 0.660 1.420 2.611 16.609 16.208 1.025 [OK] 324 41 A LEU CB 8 C4H2s 0.770 1.880 2.662 21.484 22.951 0.936 [OK] 325 41 A LEU CG 4 C4H1b 0.770 1.880 2.666 14.303 14.764 0.969 [OK] 326 41 A LEU CD1 10 C4H3u 0.770 1.880 3.092 35.975 37.425 0.961 possible 327 41 A LEU CD2 10 C4H3u 0.770 1.880 3.155 37.658 37.143 1.014 possible 328 42 A GLY N 12 N3H1s 0.700 1.640 2.636 14.083 14.854 0.948 [OK] 329 42 A GLY CA 8 C4H2s 0.770 1.880 3.795 23.944 23.688 1.011 possible 330 42 A GLY C 2 C3H0b 0.770 1.610 2.855 10.593 9.840 1.077 [OK] 331 42 A GLY O 16 O1H0u 0.660 1.420 3.424 32.343 16.391 1.973 possible 332 43 A GLN N 12 N3H1s 0.700 1.640 2.977 15.483 13.616 1.137 [OK] 333 43 A GLN CA 3 C4H1s 0.770 1.880 3.418 13.788 13.334 1.034 possible 334 43 A GLN C 1 C3H0s 0.770 1.610 2.289 8.617 8.787 0.981 [OK] 335 43 A GLN O 16 O1H0u 0.660 1.420 3.328 25.959 15.993 1.623 possible 336 43 A GLN CB 8 C4H2s 0.770 1.880 3.376 22.772 23.275 0.978 possible 337 43 A GLN CG 8 C4H2s 0.770 1.880 3.875 34.391 23.465 1.466 possible 338 43 A GLN CD 2 C3H0b 0.770 1.610 2.387 8.782 9.659 0.909 [OK] 339 43 A GLN OE1 16 O1H0u 0.660 1.420 3.067 23.276 17.091 1.362 possible 340 43 A GLN NE2 15 N3H2u 0.700 1.640 3.943 42.890 24.150 1.776 possible 341 44 A PRO N 11 N3H0u 0.700 1.640 2.362 8.329 8.823 0.944 [OK] 342 44 A PRO CA 4 C4H1b 0.770 1.880 3.159 17.048 13.955 1.222 possible 343 44 A PRO C 1 C3H0s 0.770 1.610 2.388 8.258 8.812 0.937 [OK] 344 44 A PRO O 16 O1H0u 0.660 1.420 3.558 24.323 16.169 1.504 possible 345 44 A PRO CB 9 C4H2b 0.770 1.880 3.248 25.931 25.563 1.014 possible 346 44 A PRO CG 9 C4H2b 0.770 1.880 3.161 23.721 25.832 0.918 possible 347 44 A PRO CD 8 C4H2s 0.770 1.880 3.758 30.378 23.836 1.274 possible 348 45 A GLY N 12 N3H1s 0.700 1.640 2.789 14.567 14.854 0.981 [OK] 349 45 A GLY CA 8 C4H2s 0.770 1.880 5.325 41.947 23.688 1.771 possible 350 45 A GLY C 2 C3H0b 0.770 1.610 3.585 11.970 9.840 1.216 possible 351 45 A GLY O 16 O1H0u 0.660 1.420 3.113 15.666 16.391 0.956 possible 352 46 A THR N 12 N3H1s 0.700 1.640 6.514 34.186 13.832 2.472 possible 353 46 A THR CA 3 C4H1s 0.770 1.880 2.851 12.484 13.099 0.953 [OK] 354 46 A THR C 1 C3H0s 0.770 1.610 3.640 10.949 8.738 1.253 possible 355 46 A THR O 16 O1H0u 0.660 1.420 6.533 64.391 16.020 4.019 possible 356 46 A THR CB 4 C4H1b 0.770 1.880 3.182 19.925 14.829 1.344 possible 357 46 A THR OG1 17 O2H1u 0.660 1.460 15.882 -1.000 18.123 -1.000 bad 358 46 A THR CG2 10 C4H3u 0.770 1.880 28.995 -1.000 36.542 -1.000 bad 359 47 A LEU N 12 N3H1s 0.700 1.640 3.674 17.386 13.655 1.273 possible 360 47 A LEU CA 3 C4H1s 0.770 1.880 3.672 16.008 13.122 1.220 possible 361 47 A LEU C 1 C3H0s 0.770 1.610 2.698 9.204 8.825 1.043 [OK] 362 47 A LEU O 16 O1H0u 0.660 1.420 3.122 18.956 16.208 1.170 possible 363 47 A LEU CB 8 C4H2s 0.770 1.880 3.955 30.392 22.951 1.324 possible 364 47 A LEU CG 4 C4H1b 0.770 1.880 2.539 12.541 14.764 0.849 [OK] 365 47 A LEU CD1 10 C4H3u 0.770 1.880 4.267 49.507 37.425 1.323 possible 366 47 A LEU CD2 10 C4H3u 0.770 1.880 3.373 43.939 37.143 1.183 possible 367 48 A LEU N 12 N3H1s 0.700 1.640 2.610 13.018 13.655 0.953 [OK] 368 48 A LEU CA 3 C4H1s 0.770 1.880 2.927 13.778 13.122 1.050 [OK] 369 48 A LEU C 1 C3H0s 0.770 1.610 2.353 8.944 8.825 1.014 [OK] 370 48 A LEU O 16 O1H0u 0.660 1.420 4.741 27.955 16.208 1.725 possible 371 48 A LEU CB 8 C4H2s 0.770 1.880 3.191 24.914 22.951 1.086 possible 372 48 A LEU CG 4 C4H1b 0.770 1.880 3.271 16.312 14.764 1.105 possible 373 48 A LEU CD1 10 C4H3u 0.770 1.880 3.359 50.319 37.425 1.345 possible 374 48 A LEU CD2 10 C4H3u 0.770 1.880 3.514 42.500 37.143 1.144 possible 375 49 A GLY N 12 N3H1s 0.700 1.640 2.714 16.836 14.854 1.133 [OK] 376 49 A GLY CA 8 C4H2s 0.770 1.880 20.831 -1.000 23.688 -1.000 bad 377 49 A GLY C 2 C3H0b 0.770 1.610 4.333 13.275 9.840 1.349 possible 378 49 A GLY O 16 O1H0u 0.660 1.420 3.125 26.400 16.391 1.611 possible 379 50 A ASP N 12 N3H1s 0.700 1.640 5.829 -1.000 13.895 -1.000 bad 380 50 A ASP CA 3 C4H1s 0.770 1.880 4.895 21.477 13.377 1.606 possible 381 50 A ASP C 1 C3H0s 0.770 1.610 2.705 9.176 8.816 1.041 [OK] 382 50 A ASP O 16 O1H0u 0.660 1.420 2.655 14.850 16.091 0.923 [OK] 383 50 A ASP CB 8 C4H2s 0.770 1.880 15.911 -1.000 23.481 -1.000 bad 384 50 A ASP CG 2 C3H0b 0.770 1.610 5.339 13.839 9.422 1.469 possible 385 50 A ASP OD1 16 O1H0u 0.660 1.420 4.792 40.935 15.505 2.640 possible 386 50 A ASP OD2 16 O1H0u 0.660 1.420 23.856 -1.000 16.324 -1.000 bad 387 51 A ASP N 12 N3H1s 0.700 1.640 2.929 15.666 13.895 1.127 [OK] 388 51 A ASP CA 3 C4H1s 0.770 1.880 2.719 13.371 13.377 1.000 [OK] 389 51 A ASP C 1 C3H0s 0.770 1.610 2.737 9.033 8.816 1.025 [OK] 390 51 A ASP O 16 O1H0u 0.660 1.420 3.066 15.521 16.091 0.965 possible 391 51 A ASP CB 8 C4H2s 0.770 1.880 2.838 21.481 23.481 0.915 [OK] 392 51 A ASP CG 2 C3H0b 0.770 1.610 2.662 10.683 9.422 1.134 [OK] 393 51 A ASP OD1 16 O1H0u 0.660 1.420 2.619 16.881 15.505 1.089 [OK] 394 51 A ASP OD2 16 O1H0u 0.660 1.420 2.550 16.395 16.324 1.004 [OK] 395 52 A GLN N 12 N3H1s 0.700 1.640 2.805 13.910 13.616 1.022 [OK] 396 52 A GLN CA 3 C4H1s 0.770 1.880 3.225 14.311 13.334 1.073 possible 397 52 A GLN C 1 C3H0s 0.770 1.610 2.669 7.843 8.787 0.893 [OK] 398 52 A GLN O 16 O1H0u 0.660 1.420 2.585 15.340 15.993 0.959 [OK] 399 52 A GLN CB 8 C4H2s 0.770 1.880 3.908 28.425 23.275 1.221 possible 400 52 A GLN CG 8 C4H2s 0.770 1.880 5.089 47.831 23.465 2.038 possible 401 52 A GLN CD 2 C3H0b 0.770 1.610 4.951 15.521 9.659 1.607 possible 402 52 A GLN OE1 16 O1H0u 0.660 1.420 4.110 34.461 17.091 2.016 possible 403 52 A GLN NE2 15 N3H2u 0.700 1.640 4.668 32.982 24.150 1.366 possible 404 53 A ILE N 12 N3H1s 0.700 1.640 3.682 16.185 13.633 1.187 possible 405 53 A ILE CA 3 C4H1s 0.770 1.880 3.748 15.310 13.007 1.177 possible 406 53 A ILE C 1 C3H0s 0.770 1.610 2.415 8.215 8.470 0.970 [OK] 407 53 A ILE O 16 O1H0u 0.660 1.420 2.552 16.519 16.144 1.023 [OK] 408 53 A ILE CB 4 C4H1b 0.770 1.880 4.968 28.742 14.227 2.020 possible 409 53 A ILE CG1 9 C4H2b 0.770 1.880 3.232 27.256 24.187 1.127 possible 410 53 A ILE CG2 10 C4H3u 0.770 1.880 3.994 37.554 35.961 1.044 possible 411 53 A ILE CD1 10 C4H3u 0.770 1.880 3.634 48.400 38.377 1.261 possible 412 54 A TYR N 12 N3H1s 0.700 1.640 2.700 12.995 13.691 0.949 [OK] 413 54 A TYR CA 3 C4H1s 0.770 1.880 3.046 15.162 13.330 1.137 possible 414 54 A TYR C 1 C3H0s 0.770 1.610 2.234 7.763 8.770 0.885 [OK] 415 54 A TYR O 16 O1H0u 0.660 1.420 2.604 15.080 16.124 0.935 [OK] 416 54 A TYR CB 8 C4H2s 0.770 1.880 3.299 25.850 23.678 1.092 possible 417 54 A TYR CG 2 C3H0b 0.770 1.610 2.316 8.732 9.732 0.897 [OK] 418 54 A TYR CD1 5 C3H1s 0.770 1.760 3.226 24.262 20.171 1.203 possible 419 54 A TYR CD2 5 C3H1s 0.770 1.760 2.873 20.564 20.728 0.992 [OK] 420 54 A TYR CE1 5 C3H1s 0.770 1.760 2.952 22.657 20.675 1.096 [OK] 421 54 A TYR CE2 5 C3H1s 0.770 1.760 2.731 18.881 20.810 0.907 [OK] 422 54 A TYR CZ 2 C3H0b 0.770 1.610 2.429 9.562 9.926 0.963 [OK] 423 54 A TYR OH 17 O2H1u 0.660 1.460 2.574 18.806 19.173 0.981 [OK] 424 55 A ASN N 12 N3H1s 0.700 1.640 2.314 12.098 13.695 0.883 [OK] 425 55 A ASN CA 3 C4H1s 0.770 1.880 2.746 12.287 13.167 0.933 [OK] 426 55 A ASN C 1 C3H0s 0.770 1.610 2.273 8.171 8.928 0.915 [OK] 427 55 A ASN O 16 O1H0u 0.660 1.420 2.886 15.831 16.199 0.977 [OK] 428 55 A ASN CB 8 C4H2s 0.770 1.880 3.338 26.598 23.128 1.150 possible 429 55 A ASN CG 2 C3H0b 0.770 1.610 2.267 8.325 9.599 0.867 [OK] 430 55 A ASN OD1 16 O1H0u 0.660 1.420 2.859 19.805 16.664 1.188 [OK] 431 55 A ASN ND2 15 N3H2u 0.700 1.640 3.293 28.108 23.083 1.218 possible 432 56 A VAL N 12 N3H1s 0.700 1.640 2.377 12.042 13.676 0.881 [OK] 433 56 A VAL CA 3 C4H1s 0.770 1.880 2.841 13.518 13.123 1.030 [OK] 434 56 A VAL C 1 C3H0s 0.770 1.610 2.572 7.816 8.563 0.913 [OK] 435 56 A VAL O 16 O1H0u 0.660 1.420 3.557 21.732 16.181 1.343 possible 436 56 A VAL CB 4 C4H1b 0.770 1.880 2.817 14.115 14.598 0.967 [OK] 437 56 A VAL CG1 10 C4H3u 0.770 1.880 3.970 54.473 36.584 1.489 possible 438 56 A VAL CG2 10 C4H3u 0.770 1.880 3.226 33.170 36.332 0.913 possible 439 57 A VAL N 12 N3H1s 0.700 1.640 2.697 12.659 13.676 0.926 [OK] 440 57 A VAL CA 3 C4H1s 0.770 1.880 3.599 15.125 13.123 1.153 possible 441 57 A VAL C 1 C3H0s 0.770 1.610 2.290 7.733 8.563 0.903 [OK] 442 57 A VAL O 16 O1H0u 0.660 1.420 2.556 16.438 16.181 1.016 [OK] 443 57 A VAL CB 4 C4H1b 0.770 1.880 3.164 14.305 14.598 0.980 possible 444 57 A VAL CG1 10 C4H3u 0.770 1.880 3.367 37.581 36.584 1.027 possible 445 57 A VAL CG2 10 C4H3u 0.770 1.880 3.820 45.593 36.332 1.255 possible 446 58 A VAL N 12 N3H1s 0.700 1.640 2.528 12.731 13.676 0.931 [OK] 447 58 A VAL CA 3 C4H1s 0.770 1.880 2.830 13.033 13.123 0.993 [OK] 448 58 A VAL C 1 C3H0s 0.770 1.610 2.591 7.901 8.563 0.923 [OK] 449 58 A VAL O 16 O1H0u 0.660 1.420 2.550 17.473 16.181 1.080 [OK] 450 58 A VAL CB 4 C4H1b 0.770 1.880 3.196 14.762 14.598 1.011 possible 451 58 A VAL CG1 10 C4H3u 0.770 1.880 3.414 39.792 36.584 1.088 possible 452 58 A VAL CG2 10 C4H3u 0.770 1.880 3.033 33.042 36.332 0.909 possible 453 59 A THR N 12 N3H1s 0.700 1.640 2.760 13.545 13.832 0.979 [OK] 454 59 A THR CA 3 C4H1s 0.770 1.880 2.963 15.333 13.099 1.171 [OK] 455 59 A THR C 1 C3H0s 0.770 1.610 2.632 7.924 8.738 0.907 [OK] 456 59 A THR O 16 O1H0u 0.660 1.420 2.434 16.305 16.020 1.018 [OK] 457 59 A THR CB 4 C4H1b 0.770 1.880 3.313 14.730 14.829 0.993 possible 458 59 A THR OG1 17 O2H1u 0.660 1.460 2.931 18.421 18.123 1.016 [OK] 459 59 A THR CG2 10 C4H3u 0.770 1.880 4.075 45.070 36.542 1.233 possible 460 60 A ALA N 12 N3H1s 0.700 1.640 3.607 15.177 14.046 1.081 possible 461 60 A ALA CA 4 C4H1b 0.770 1.880 3.697 17.135 14.063 1.218 possible 462 60 A ALA C 1 C3H0s 0.770 1.610 2.095 7.669 8.900 0.862 [OK] 463 60 A ALA O 16 O1H0u 0.660 1.420 2.289 14.565 16.188 0.900 [OK] 464 60 A ALA CB 10 C4H3u 0.770 1.880 4.128 61.468 36.782 1.671 possible 465 61 A HIS N 12 N3H1s 0.700 1.640 2.345 12.770 13.715 0.931 [OK] 466 61 A HIS CA 3 C4H1s 0.770 1.880 2.852 14.491 13.467 1.076 [OK] 467 61 A HIS C 1 C3H0s 0.770 1.610 2.272 7.432 8.882 0.837 [OK] 468 61 A HIS O 16 O1H0u 0.660 1.420 2.425 17.244 16.082 1.072 [OK] 469 61 A HIS CB 8 C4H2s 0.770 1.880 2.998 22.975 23.653 0.971 [OK] 470 61 A HIS CG 2 C3H0b 0.770 1.610 2.524 10.232 9.952 1.028 [OK] 471 61 A HIS ND1 13 N3H1b 0.700 1.640 2.653 19.095 15.506 1.231 [OK] 472 61 A HIS CD2 5 C3H1s 0.770 1.760 2.835 21.596 21.085 1.024 [OK] 473 61 A HIS CE1 5 C3H1s 0.770 1.760 2.728 16.976 20.636 0.823 [OK] 474 61 A HIS NE2 13 N3H1b 0.700 1.640 2.651 8.759 15.337 0.571 [OK] 475 62 A ALA N 12 N3H1s 0.700 1.640 2.604 13.412 14.046 0.955 [OK] 476 62 A ALA CA 4 C4H1b 0.770 1.880 2.735 14.507 14.063 1.032 [OK] 477 62 A ALA C 1 C3H0s 0.770 1.610 2.807 8.800 8.900 0.989 [OK] 478 62 A ALA O 16 O1H0u 0.660 1.420 2.720 18.260 16.188 1.128 [OK] 479 62 A ALA CB 10 C4H3u 0.770 1.880 3.029 32.448 36.782 0.882 possible 480 63 A PHE N 12 N3H1s 0.700 1.640 2.708 14.390 13.691 1.051 [OK] 481 63 A PHE CA 3 C4H1s 0.770 1.880 3.090 13.272 13.449 0.987 possible 482 63 A PHE C 1 C3H0s 0.770 1.610 2.435 8.525 8.753 0.974 [OK] 483 63 A PHE O 16 O1H0u 0.660 1.420 2.642 15.790 16.151 0.978 [OK] 484 63 A PHE CB 8 C4H2s 0.770 1.880 3.449 27.279 23.777 1.147 possible 485 63 A PHE CG 2 C3H0b 0.770 1.610 2.998 11.254 9.721 1.158 [OK] 486 63 A PHE CD1 5 C3H1s 0.770 1.760 3.139 20.882 20.405 1.023 possible 487 63 A PHE CD2 6 C3H1b 0.770 1.760 3.346 23.867 21.051 1.134 possible 488 63 A PHE CE1 6 C3H1b 0.770 1.760 3.538 24.423 21.580 1.132 possible 489 63 A PHE CE2 6 C3H1b 0.770 1.760 3.349 23.762 21.680 1.096 possible 490 63 A PHE CZ 6 C3H1b 0.770 1.760 3.001 21.048 21.666 0.971 possible 491 64 A VAL N 12 N3H1s 0.700 1.640 2.440 13.251 13.676 0.969 [OK] 492 64 A VAL CA 3 C4H1s 0.770 1.880 2.640 12.145 13.123 0.925 [OK] 493 64 A VAL C 1 C3H0s 0.770 1.610 2.589 7.578 8.563 0.885 [OK] 494 64 A VAL O 16 O1H0u 0.660 1.420 2.525 15.080 16.181 0.932 [OK] 495 64 A VAL CB 4 C4H1b 0.770 1.880 2.854 14.677 14.598 1.005 [OK] 496 64 A VAL CG1 10 C4H3u 0.770 1.880 3.048 33.692 36.584 0.921 possible 497 64 A VAL CG2 10 C4H3u 0.770 1.880 3.458 36.910 36.332 1.016 possible 498 65 A MET N 12 N3H1s 0.700 1.640 2.589 13.871 13.564 1.023 [OK] 499 65 A MET CA 3 C4H1s 0.770 1.880 2.943 12.820 13.231 0.969 [OK] 500 65 A MET C 1 C3H0s 0.770 1.610 2.388 8.439 8.782 0.961 [OK] 501 65 A MET O 16 O1H0u 0.660 1.420 2.666 16.426 16.277 1.009 [OK] 502 65 A MET CB 8 C4H2s 0.770 1.880 3.109 22.643 23.645 0.958 possible 503 65 A MET CG 9 C4H2b 0.770 1.880 2.861 23.262 24.009 0.969 [OK] 504 65 A MET SD 19 S2H0u 1.040 1.770 3.017 31.788 30.093 1.056 possible 505 65 A MET CE 10 C4H3u 0.770 1.880 3.095 38.906 37.161 1.047 possible 506 66 A ILE N 12 N3H1s 0.700 1.640 2.535 13.547 13.633 0.994 [OK] 507 66 A ILE CA 3 C4H1s 0.770 1.880 3.047 13.413 13.007 1.031 possible 508 66 A ILE C 1 C3H0s 0.770 1.610 2.441 8.249 8.470 0.974 [OK] 509 66 A ILE O 16 O1H0u 0.660 1.420 2.279 17.892 16.144 1.108 [OK] 510 66 A ILE CB 4 C4H1b 0.770 1.880 3.225 14.299 14.227 1.005 possible 511 66 A ILE CG1 9 C4H2b 0.770 1.880 3.044 25.047 24.187 1.036 possible 512 66 A ILE CG2 10 C4H3u 0.770 1.880 3.031 34.090 35.961 0.948 possible 513 66 A ILE CD1 10 C4H3u 0.770 1.880 3.337 46.549 38.377 1.213 possible 514 67 A PHE N 12 N3H1s 0.700 1.640 2.428 12.283 13.691 0.897 [OK] 515 67 A PHE CA 3 C4H1s 0.770 1.880 3.024 13.657 13.449 1.015 possible 516 67 A PHE C 1 C3H0s 0.770 1.610 2.473 9.240 8.753 1.056 [OK] 517 67 A PHE O 16 O1H0u 0.660 1.420 3.480 26.798 16.151 1.659 possible 518 67 A PHE CB 8 C4H2s 0.770 1.880 3.360 28.382 23.777 1.194 possible 519 67 A PHE CG 2 C3H0b 0.770 1.610 2.989 10.862 9.721 1.117 [OK] 520 67 A PHE CD1 5 C3H1s 0.770 1.760 3.276 20.483 20.405 1.004 possible 521 67 A PHE CD2 6 C3H1b 0.770 1.760 3.792 29.273 21.051 1.391 possible 522 67 A PHE CE1 6 C3H1b 0.770 1.760 3.221 23.572 21.580 1.092 possible 523 67 A PHE CE2 6 C3H1b 0.770 1.760 3.494 35.013 21.680 1.615 possible 524 67 A PHE CZ 6 C3H1b 0.770 1.760 3.529 30.033 21.666 1.386 possible 525 68 A PHE N 12 N3H1s 0.700 1.640 2.416 13.494 13.691 0.986 [OK] 526 68 A PHE CA 3 C4H1s 0.770 1.880 2.748 12.199 13.449 0.907 [OK] 527 68 A PHE C 1 C3H0s 0.770 1.610 2.435 8.541 8.753 0.976 [OK] 528 68 A PHE O 16 O1H0u 0.660 1.420 2.360 15.208 16.151 0.942 [OK] 529 68 A PHE CB 8 C4H2s 0.770 1.880 2.727 21.911 23.777 0.922 [OK] 530 68 A PHE CG 2 C3H0b 0.770 1.610 2.315 9.464 9.721 0.974 [OK] 531 68 A PHE CD1 5 C3H1s 0.770 1.760 2.864 20.582 20.405 1.009 [OK] 532 68 A PHE CD2 6 C3H1b 0.770 1.760 2.627 20.262 21.051 0.963 [OK] 533 68 A PHE CE1 6 C3H1b 0.770 1.760 3.119 24.940 21.580 1.156 possible 534 68 A PHE CE2 6 C3H1b 0.770 1.760 3.299 25.421 21.680 1.173 possible 535 68 A PHE CZ 6 C3H1b 0.770 1.760 3.198 23.829 21.666 1.100 possible 536 69 A MET N 12 N3H1s 0.700 1.640 2.558 14.555 13.564 1.073 [OK] 537 69 A MET CA 3 C4H1s 0.770 1.880 2.611 13.036 13.231 0.985 [OK] 538 69 A MET C 1 C3H0s 0.770 1.610 2.262 8.057 8.782 0.917 [OK] 539 69 A MET O 16 O1H0u 0.660 1.420 2.311 15.397 16.277 0.946 [OK] 540 69 A MET CB 8 C4H2s 0.770 1.880 3.091 24.527 23.645 1.037 possible 541 69 A MET CG 9 C4H2b 0.770 1.880 2.819 21.768 24.009 0.907 [OK] 542 69 A MET SD 19 S2H0u 1.040 1.770 2.997 33.131 30.093 1.101 [OK] 543 69 A MET CE 10 C4H3u 0.770 1.880 3.382 32.640 37.161 0.878 possible 544 70 A VAL N 12 N3H1s 0.700 1.640 2.507 13.237 13.676 0.968 [OK] 545 70 A VAL CA 3 C4H1s 0.770 1.880 2.666 12.125 13.123 0.924 [OK] 546 70 A VAL C 1 C3H0s 0.770 1.610 2.586 7.595 8.563 0.887 [OK] 547 70 A VAL O 16 O1H0u 0.660 1.420 2.666 16.823 16.181 1.040 [OK] 548 70 A VAL CB 4 C4H1b 0.770 1.880 3.047 15.293 14.598 1.048 possible 549 70 A VAL CG1 10 C4H3u 0.770 1.880 3.253 36.461 36.584 0.997 possible 550 70 A VAL CG2 10 C4H3u 0.770 1.880 3.057 34.364 36.332 0.946 possible 551 71 A MET N 12 N3H1s 0.700 1.640 2.648 14.264 13.564 1.052 [OK] 552 71 A MET CA 3 C4H1s 0.770 1.880 3.259 14.768 13.231 1.116 possible 553 71 A MET C 1 C3H0s 0.770 1.610 3.760 9.113 8.782 1.038 possible 554 71 A MET O 16 O1H0u 0.660 1.420 3.698 21.364 16.277 1.313 possible 555 71 A MET CB 8 C4H2s 0.770 1.880 3.993 32.641 23.645 1.380 possible 556 71 A MET CG 9 C4H2b 0.770 1.880 3.363 25.718 24.009 1.071 possible 557 71 A MET SD 19 S2H0u 1.040 1.770 3.719 32.311 30.093 1.074 possible 558 71 A MET CE 10 C4H3u 0.770 1.880 3.671 44.965 37.161 1.210 possible 559 72 A PRO N 11 N3H0u 0.700 1.640 3.942 9.513 8.823 1.078 possible 560 72 A PRO CA 4 C4H1b 0.770 1.880 4.139 16.938 13.955 1.214 possible 561 72 A PRO C 1 C3H0s 0.770 1.610 2.622 8.794 8.812 0.998 [OK] 562 72 A PRO O 16 O1H0u 0.660 1.420 2.492 15.014 16.169 0.929 [OK] 563 72 A PRO CB 9 C4H2b 0.770 1.880 3.029 27.800 25.563 1.088 possible 564 72 A PRO CG 9 C4H2b 0.770 1.880 4.007 26.854 25.832 1.040 possible 565 72 A PRO CD 8 C4H2s 0.770 1.880 3.489 21.291 23.836 0.893 possible 566 73 A ILE N 12 N3H1s 0.700 1.640 2.679 13.915 13.633 1.021 [OK] 567 73 A ILE CA 3 C4H1s 0.770 1.880 2.942 13.871 13.007 1.066 [OK] 568 73 A ILE C 1 C3H0s 0.770 1.610 2.319 7.647 8.470 0.903 [OK] 569 73 A ILE O 16 O1H0u 0.660 1.420 2.249 14.597 16.144 0.904 [OK] 570 73 A ILE CB 4 C4H1b 0.770 1.880 2.745 13.476 14.227 0.947 [OK] 571 73 A ILE CG1 9 C4H2b 0.770 1.880 3.012 24.470 24.187 1.012 possible 572 73 A ILE CG2 10 C4H3u 0.770 1.880 2.986 31.971 35.961 0.889 [OK] 573 73 A ILE CD1 10 C4H3u 0.770 1.880 3.008 36.566 38.377 0.953 possible 574 74 A MET N 12 N3H1s 0.700 1.640 2.502 14.009 13.564 1.033 [OK] 575 74 A MET CA 3 C4H1s 0.770 1.880 2.801 13.344 13.231 1.009 [OK] 576 74 A MET C 1 C3H0s 0.770 1.610 2.463 8.580 8.782 0.977 [OK] 577 74 A MET O 16 O1H0u 0.660 1.420 2.820 22.672 16.277 1.393 [OK] 578 74 A MET CB 8 C4H2s 0.770 1.880 3.060 21.858 23.645 0.924 possible 579 74 A MET CG 9 C4H2b 0.770 1.880 2.981 23.173 24.009 0.965 [OK] 580 74 A MET SD 19 S2H0u 1.040 1.770 3.094 34.783 30.093 1.156 possible 581 74 A MET CE 10 C4H3u 0.770 1.880 3.363 33.829 37.161 0.910 possible 582 75 A ILE N 12 N3H1s 0.700 1.640 2.640 13.444 13.633 0.986 [OK] 583 75 A ILE CA 3 C4H1s 0.770 1.880 3.322 14.657 13.007 1.127 possible 584 75 A ILE C 1 C3H0s 0.770 1.610 2.492 8.157 8.470 0.963 [OK] 585 75 A ILE O 16 O1H0u 0.660 1.420 2.733 16.029 16.144 0.993 [OK] 586 75 A ILE CB 4 C4H1b 0.770 1.880 3.916 14.006 14.227 0.984 possible 587 75 A ILE CG1 9 C4H2b 0.770 1.880 3.332 27.743 24.187 1.147 possible 588 75 A ILE CG2 10 C4H3u 0.770 1.880 4.279 62.411 35.961 1.736 possible 589 75 A ILE CD1 10 C4H3u 0.770 1.880 3.815 45.731 38.377 1.192 possible 590 76 A GLY N 12 N3H1s 0.700 1.640 3.839 18.099 14.854 1.218 possible 591 76 A GLY CA 8 C4H2s 0.770 1.880 3.705 26.684 23.688 1.126 possible 592 76 A GLY C 2 C3H0b 0.770 1.610 2.211 8.619 9.840 0.876 [OK] 593 76 A GLY O 16 O1H0u 0.660 1.420 2.311 14.372 16.391 0.877 [OK] 594 77 A GLY N 12 N3H1s 0.700 1.640 2.472 13.284 14.854 0.894 [OK] 595 77 A GLY CA 8 C4H2s 0.770 1.880 2.953 22.635 23.688 0.956 [OK] 596 77 A GLY C 2 C3H0b 0.770 1.610 2.884 9.704 9.840 0.986 [OK] 597 77 A GLY O 16 O1H0u 0.660 1.420 2.689 16.982 16.391 1.036 [OK] 598 78 A PHE N 12 N3H1s 0.700 1.640 2.906 14.956 13.691 1.092 [OK] 599 78 A PHE CA 3 C4H1s 0.770 1.880 3.100 15.484 13.449 1.151 possible 600 78 A PHE C 1 C3H0s 0.770 1.610 2.223 8.187 8.753 0.935 [OK] 601 78 A PHE O 16 O1H0u 0.660 1.420 2.346 15.476 16.151 0.958 [OK] 602 78 A PHE CB 8 C4H2s 0.770 1.880 3.055 24.967 23.777 1.050 possible 603 78 A PHE CG 2 C3H0b 0.770 1.610 2.833 10.094 9.721 1.038 [OK] 604 78 A PHE CD1 5 C3H1s 0.770 1.760 2.996 22.061 20.405 1.081 [OK] 605 78 A PHE CD2 6 C3H1b 0.770 1.760 2.801 20.059 21.051 0.953 [OK] 606 78 A PHE CE1 6 C3H1b 0.770 1.760 2.915 21.399 21.580 0.992 [OK] 607 78 A PHE CE2 6 C3H1b 0.770 1.760 2.994 23.894 21.680 1.102 [OK] 608 78 A PHE CZ 6 C3H1b 0.770 1.760 3.079 23.925 21.666 1.104 possible 609 79 A GLY N 12 N3H1s 0.700 1.640 2.567 14.734 14.854 0.992 [OK] 610 79 A GLY CA 8 C4H2s 0.770 1.880 3.235 26.417 23.688 1.115 possible 611 79 A GLY C 2 C3H0b 0.770 1.610 2.118 8.349 9.840 0.848 [OK] 612 79 A GLY O 16 O1H0u 0.660 1.420 2.463 16.200 16.391 0.988 [OK] 613 80 A ASN N 12 N3H1s 0.700 1.640 2.401 14.344 13.695 1.047 [OK] 614 80 A ASN CA 3 C4H1s 0.770 1.880 2.841 14.509 13.167 1.102 [OK] 615 80 A ASN C 1 C3H0s 0.770 1.610 2.336 8.508 8.928 0.953 [OK] 616 80 A ASN O 16 O1H0u 0.660 1.420 2.433 15.638 16.199 0.965 [OK] 617 80 A ASN CB 8 C4H2s 0.770 1.880 2.841 21.716 23.128 0.939 [OK] 618 80 A ASN CG 2 C3H0b 0.770 1.610 2.674 9.560 9.599 0.996 [OK] 619 80 A ASN OD1 16 O1H0u 0.660 1.420 2.780 20.049 16.664 1.203 [OK] 620 80 A ASN ND2 15 N3H2u 0.700 1.640 3.450 28.708 23.083 1.244 possible 621 81 A TRP N 12 N3H1s 0.700 1.640 2.690 14.574 13.791 1.057 [OK] 622 81 A TRP CA 3 C4H1s 0.770 1.880 2.894 14.420 13.377 1.078 [OK] 623 81 A TRP C 1 C3H0s 0.770 1.610 2.684 8.808 8.724 1.010 [OK] 624 81 A TRP O 16 O1H0u 0.660 1.420 2.520 17.670 15.951 1.108 [OK] 625 81 A TRP CB 8 C4H2s 0.770 1.880 3.097 22.761 24.004 0.948 possible 626 81 A TRP CG 2 C3H0b 0.770 1.610 2.695 9.641 9.965 0.967 [OK] 627 81 A TRP CD1 5 C3H1s 0.770 1.760 3.082 24.024 20.874 1.151 possible 628 81 A TRP CD2 2 C3H0b 0.770 1.610 2.543 9.393 10.097 0.930 [OK] 629 81 A TRP NE1 13 N3H1b 0.700 1.640 3.282 19.357 16.969 1.141 possible 630 81 A TRP CE2 2 C3H0b 0.770 1.610 2.348 9.803 9.889 0.991 [OK] 631 81 A TRP CE3 6 C3H1b 0.770 1.760 2.839 22.047 20.448 1.078 [OK] 632 81 A TRP CZ2 6 C3H1b 0.770 1.760 3.589 27.474 21.012 1.308 possible 633 81 A TRP CZ3 6 C3H1b 0.770 1.760 2.695 19.939 21.516 0.927 [OK] 634 81 A TRP CH2 6 C3H1b 0.770 1.760 3.387 24.246 21.339 1.136 possible 635 82 A LEU N 12 N3H1s 0.700 1.640 2.337 13.061 13.655 0.956 [OK] 636 82 A LEU CA 3 C4H1s 0.770 1.880 2.767 13.176 13.122 1.004 [OK] 637 82 A LEU C 1 C3H0s 0.770 1.610 2.690 9.271 8.825 1.051 [OK] 638 82 A LEU O 16 O1H0u 0.660 1.420 2.455 14.830 16.208 0.915 [OK] 639 82 A LEU CB 8 C4H2s 0.770 1.880 2.811 21.346 22.951 0.930 [OK] 640 82 A LEU CG 4 C4H1b 0.770 1.880 2.803 14.515 14.764 0.983 [OK] 641 82 A LEU CD1 10 C4H3u 0.770 1.880 3.139 39.391 37.425 1.053 possible 642 82 A LEU CD2 10 C4H3u 0.770 1.880 2.999 37.396 37.143 1.007 [OK] 643 83 A VAL N 12 N3H1s 0.700 1.640 2.744 14.595 13.676 1.067 [OK] 644 83 A VAL CA 3 C4H1s 0.770 1.880 2.991 13.359 13.123 1.018 [OK] 645 83 A VAL C 1 C3H0s 0.770 1.610 2.541 7.678 8.563 0.897 [OK] 646 83 A VAL O 16 O1H0u 0.660 1.420 2.438 15.962 16.181 0.986 [OK] 647 83 A VAL CB 4 C4H1b 0.770 1.880 2.911 14.353 14.598 0.983 [OK] 648 83 A VAL CG1 10 C4H3u 0.770 1.880 3.149 39.710 36.584 1.085 possible 649 83 A VAL CG2 10 C4H3u 0.770 1.880 2.951 36.738 36.332 1.011 [OK] 650 84 A PRO N 11 N3H0u 0.700 1.640 2.689 8.607 8.823 0.976 [OK] 651 84 A PRO CA 4 C4H1b 0.770 1.880 2.963 16.003 13.955 1.147 [OK] 652 84 A PRO C 1 C3H0s 0.770 1.610 2.786 9.213 8.812 1.045 [OK] 653 84 A PRO O 16 O1H0u 0.660 1.420 2.575 15.404 16.169 0.953 [OK] 654 84 A PRO CB 9 C4H2b 0.770 1.880 3.048 27.210 25.563 1.064 possible 655 84 A PRO CG 9 C4H2b 0.770 1.880 2.983 27.648 25.832 1.070 [OK] 656 84 A PRO CD 8 C4H2s 0.770 1.880 2.927 24.060 23.836 1.009 [OK] 657 85 A LEU N 12 N3H1s 0.700 1.640 2.711 14.624 13.655 1.071 [OK] 658 85 A LEU CA 3 C4H1s 0.770 1.880 3.008 13.012 13.122 0.992 possible 659 85 A LEU C 1 C3H0s 0.770 1.610 2.431 8.369 8.825 0.948 [OK] 660 85 A LEU O 16 O1H0u 0.660 1.420 2.945 17.920 16.208 1.106 [OK] 661 85 A LEU CB 8 C4H2s 0.770 1.880 3.579 23.841 22.951 1.039 possible 662 85 A LEU CG 4 C4H1b 0.770 1.880 2.623 13.320 14.764 0.902 [OK] 663 85 A LEU CD1 10 C4H3u 0.770 1.880 3.259 41.449 37.425 1.108 possible 664 85 A LEU CD2 10 C4H3u 0.770 1.880 3.538 41.652 37.143 1.121 possible 665 86 A MET N 12 N3H1s 0.700 1.640 2.452 12.152 13.564 0.896 [OK] 666 86 A MET CA 3 C4H1s 0.770 1.880 3.354 14.873 13.231 1.124 possible 667 86 A MET C 1 C3H0s 0.770 1.610 2.430 8.687 8.782 0.989 [OK] 668 86 A MET O 16 O1H0u 0.660 1.420 3.148 25.596 16.277 1.573 possible 669 86 A MET CB 8 C4H2s 0.770 1.880 3.522 23.579 23.645 0.997 possible 670 86 A MET CG 9 C4H2b 0.770 1.880 3.572 25.100 24.009 1.045 possible 671 86 A MET SD 19 S2H0u 1.040 1.770 3.291 29.926 30.093 0.994 possible 672 86 A MET CE 10 C4H3u 0.770 1.880 3.376 39.369 37.161 1.059 possible 673 87 A ILE N 12 N3H1s 0.700 1.640 2.447 12.272 13.633 0.900 [OK] 674 87 A ILE CA 3 C4H1s 0.770 1.880 3.044 14.072 13.007 1.082 possible 675 87 A ILE C 1 C3H0s 0.770 1.610 2.896 10.681 8.470 1.261 [OK] 676 87 A ILE O 16 O1H0u 0.660 1.420 2.912 19.859 16.144 1.230 [OK] 677 87 A ILE CB 4 C4H1b 0.770 1.880 2.806 14.134 14.227 0.993 [OK] 678 87 A ILE CG1 9 C4H2b 0.770 1.880 2.788 22.138 24.187 0.915 [OK] 679 87 A ILE CG2 10 C4H3u 0.770 1.880 3.152 40.743 35.961 1.133 possible 680 87 A ILE CD1 10 C4H3u 0.770 1.880 3.095 40.832 38.377 1.064 possible 681 88 A GLY N 12 N3H1s 0.700 1.640 2.918 14.078 14.854 0.948 [OK] 682 88 A GLY CA 8 C4H2s 0.770 1.880 3.179 24.355 23.688 1.028 possible 683 88 A GLY C 2 C3H0b 0.770 1.610 2.706 9.391 9.840 0.954 [OK] 684 88 A GLY O 16 O1H0u 0.660 1.420 3.663 33.703 16.391 2.056 possible 685 89 A ALA N 12 N3H1s 0.700 1.640 2.622 14.435 14.046 1.028 [OK] 686 89 A ALA CA 4 C4H1b 0.770 1.880 3.483 13.411 14.063 0.954 possible 687 89 A ALA C 1 C3H0s 0.770 1.610 2.404 8.903 8.900 1.000 [OK] 688 89 A ALA O 16 O1H0u 0.660 1.420 2.597 21.905 16.188 1.353 [OK] 689 89 A ALA CB 10 C4H3u 0.770 1.880 3.067 38.416 36.782 1.044 possible 690 90 A PRO N 11 N3H0u 0.700 1.640 2.509 8.494 8.823 0.963 [OK] 691 90 A PRO CA 4 C4H1b 0.770 1.880 2.831 14.589 13.955 1.045 [OK] 692 90 A PRO C 1 C3H0s 0.770 1.610 2.645 9.250 8.812 1.050 [OK] 693 90 A PRO O 16 O1H0u 0.660 1.420 2.876 26.916 16.169 1.665 [OK] 694 90 A PRO CB 9 C4H2b 0.770 1.880 3.568 27.893 25.563 1.091 possible 695 90 A PRO CG 9 C4H2b 0.770 1.880 3.623 26.628 25.832 1.031 possible 696 90 A PRO CD 8 C4H2s 0.770 1.880 3.958 35.184 23.836 1.476 possible 697 91 A ASP N 12 N3H1s 0.700 1.640 3.234 15.830 13.895 1.139 possible 698 91 A ASP CA 3 C4H1s 0.770 1.880 2.785 14.086 13.377 1.053 [OK] 699 91 A ASP C 1 C3H0s 0.770 1.610 2.894 9.981 8.816 1.132 [OK] 700 91 A ASP O 16 O1H0u 0.660 1.420 2.550 18.354 16.091 1.141 [OK] 701 91 A ASP CB 8 C4H2s 0.770 1.880 3.752 28.037 23.481 1.194 possible 702 91 A ASP CG 2 C3H0b 0.770 1.610 3.128 10.176 9.422 1.080 possible 703 91 A ASP OD1 16 O1H0u 0.660 1.420 2.749 20.593 15.505 1.328 [OK] 704 91 A ASP OD2 16 O1H0u 0.660 1.420 2.951 20.599 16.324 1.262 [OK] 705 92 A MET N 12 N3H1s 0.700 1.640 2.461 12.676 13.564 0.935 [OK] 706 92 A MET CA 3 C4H1s 0.770 1.880 2.796 13.380 13.231 1.011 [OK] 707 92 A MET C 1 C3H0s 0.770 1.610 2.440 9.046 8.782 1.030 [OK] 708 92 A MET O 16 O1H0u 0.660 1.420 3.242 23.384 16.277 1.437 possible 709 92 A MET CB 8 C4H2s 0.770 1.880 3.098 24.886 23.645 1.053 possible 710 92 A MET CG 9 C4H2b 0.770 1.880 3.003 24.634 24.009 1.026 possible 711 92 A MET SD 19 S2H0u 1.040 1.770 2.931 32.074 30.093 1.066 [OK] 712 92 A MET CE 10 C4H3u 0.770 1.880 3.348 36.019 37.161 0.969 possible 713 93 A ALA N 12 N3H1s 0.700 1.640 2.433 13.462 14.046 0.958 [OK] 714 93 A ALA CA 4 C4H1b 0.770 1.880 3.918 16.409 14.063 1.167 possible 715 93 A ALA C 1 C3H0s 0.770 1.610 2.130 8.048 8.900 0.904 [OK] 716 93 A ALA O 16 O1H0u 0.660 1.420 3.927 40.460 16.188 2.499 possible 717 93 A ALA CB 10 C4H3u 0.770 1.880 3.983 45.091 36.782 1.226 possible 718 94 A PHE N 12 N3H1s 0.700 1.640 2.401 12.937 13.691 0.945 [OK] 719 94 A PHE CA 3 C4H1s 0.770 1.880 4.398 17.922 13.449 1.333 possible 720 94 A PHE C 1 C3H0s 0.770 1.610 3.112 9.955 8.753 1.137 possible 721 94 A PHE O 16 O1H0u 0.660 1.420 2.489 14.970 16.151 0.927 [OK] 722 94 A PHE CB 8 C4H2s 0.770 1.880 4.634 30.700 23.777 1.291 possible 723 94 A PHE CG 2 C3H0b 0.770 1.610 3.763 11.794 9.721 1.213 possible 724 94 A PHE CD1 5 C3H1s 0.770 1.760 5.331 45.341 20.405 2.222 possible 725 94 A PHE CD2 6 C3H1b 0.770 1.760 3.945 21.233 21.051 1.009 possible 726 94 A PHE CE1 6 C3H1b 0.770 1.760 4.636 29.533 21.580 1.369 possible 727 94 A PHE CE2 6 C3H1b 0.770 1.760 4.322 23.621 21.680 1.090 possible 728 94 A PHE CZ 6 C3H1b 0.770 1.760 4.715 23.990 21.666 1.107 possible 729 95 A PRO N 11 N3H0u 0.700 1.640 2.785 8.852 8.823 1.003 [OK] 730 95 A PRO CA 4 C4H1b 0.770 1.880 3.327 17.666 13.955 1.266 possible 731 95 A PRO C 1 C3H0s 0.770 1.610 2.351 8.534 8.812 0.968 [OK] 732 95 A PRO O 16 O1H0u 0.660 1.420 2.759 18.322 16.169 1.133 [OK] 733 95 A PRO CB 9 C4H2b 0.770 1.880 3.267 26.523 25.563 1.038 possible 734 95 A PRO CG 9 C4H2b 0.770 1.880 3.480 32.923 25.832 1.275 possible 735 95 A PRO CD 8 C4H2s 0.770 1.880 4.218 29.919 23.836 1.255 possible 736 96 A ARG N 12 N3H1s 0.700 1.640 3.475 16.941 13.650 1.241 possible 737 96 A ARG CA 3 C4H1s 0.770 1.880 3.249 14.659 13.422 1.092 possible 738 96 A ARG C 1 C3H0s 0.770 1.610 2.352 8.264 8.838 0.935 [OK] 739 96 A ARG O 16 O1H0u 0.660 1.420 2.485 14.528 16.084 0.903 [OK] 740 96 A ARG CB 8 C4H2s 0.770 1.880 4.255 27.129 23.088 1.175 possible 741 96 A ARG CG 8 C4H2s 0.770 1.880 3.417 24.672 23.640 1.044 possible 742 96 A ARG CD 8 C4H2s 0.770 1.880 3.025 25.349 23.300 1.088 possible 743 96 A ARG NE 13 N3H1b 0.700 1.640 3.947 17.404 15.569 1.118 possible 744 96 A ARG CZ 2 C3H0b 0.770 1.610 2.685 10.275 9.747 1.054 [OK] 745 96 A ARG NH1 15 N3H2u 0.700 1.640 3.099 31.628 22.782 1.388 possible 746 96 A ARG NH2 15 N3H2u 0.700 1.640 4.285 43.279 23.810 1.818 possible 747 97 A MET N 12 N3H1s 0.700 1.640 3.957 17.480 13.564 1.289 possible 748 97 A MET CA 3 C4H1s 0.770 1.880 2.787 14.050 13.231 1.062 [OK] 749 97 A MET C 1 C3H0s 0.770 1.610 3.035 8.114 8.782 0.924 possible 750 97 A MET O 16 O1H0u 0.660 1.420 2.902 17.020 16.277 1.046 [OK] 751 97 A MET CB 8 C4H2s 0.770 1.880 4.716 31.157 23.645 1.318 possible 752 97 A MET CG 9 C4H2b 0.770 1.880 3.854 28.948 24.009 1.206 possible 753 97 A MET SD 19 S2H0u 1.040 1.770 7.341 114.276 30.093 3.797 possible 754 97 A MET CE 10 C4H3u 0.770 1.880 3.547 37.798 37.161 1.017 possible 755 98 A ASN N 12 N3H1s 0.700 1.640 3.092 13.371 13.695 0.976 possible 756 98 A ASN CA 3 C4H1s 0.770 1.880 3.407 15.566 13.167 1.182 possible 757 98 A ASN C 1 C3H0s 0.770 1.610 2.350 7.974 8.928 0.893 [OK] 758 98 A ASN O 16 O1H0u 0.660 1.420 2.606 18.034 16.199 1.113 [OK] 759 98 A ASN CB 8 C4H2s 0.770 1.880 2.922 21.053 23.128 0.910 [OK] 760 98 A ASN CG 2 C3H0b 0.770 1.610 2.467 9.492 9.599 0.989 [OK] 761 98 A ASN OD1 16 O1H0u 0.660 1.420 3.209 27.962 16.664 1.678 possible 762 98 A ASN ND2 15 N3H2u 0.700 1.640 3.152 28.147 23.083 1.219 possible 763 99 A ASN N 12 N3H1s 0.700 1.640 2.293 12.495 13.695 0.912 [OK] 764 99 A ASN CA 3 C4H1s 0.770 1.880 2.847 13.789 13.167 1.047 [OK] 765 99 A ASN C 1 C3H0s 0.770 1.610 2.266 8.329 8.928 0.933 [OK] 766 99 A ASN O 16 O1H0u 0.660 1.420 2.470 16.409 16.199 1.013 [OK] 767 99 A ASN CB 8 C4H2s 0.770 1.880 3.142 23.076 23.128 0.998 possible 768 99 A ASN CG 2 C3H0b 0.770 1.610 2.302 8.904 9.599 0.928 [OK] 769 99 A ASN OD1 16 O1H0u 0.660 1.420 2.747 23.450 16.664 1.407 [OK] 770 99 A ASN ND2 15 N3H2u 0.700 1.640 3.051 29.320 23.083 1.270 possible 771 100 A MET N 12 N3H1s 0.700 1.640 2.358 12.623 13.564 0.931 [OK] 772 100 A MET CA 3 C4H1s 0.770 1.880 2.892 14.631 13.231 1.106 [OK] 773 100 A MET C 1 C3H0s 0.770 1.610 2.644 8.461 8.782 0.963 [OK] 774 100 A MET O 16 O1H0u 0.660 1.420 2.434 15.099 16.277 0.928 [OK] 775 100 A MET CB 8 C4H2s 0.770 1.880 2.826 23.441 23.645 0.991 [OK] 776 100 A MET CG 9 C4H2b 0.770 1.880 2.899 24.437 24.009 1.018 [OK] 777 100 A MET SD 19 S2H0u 1.040 1.770 4.984 50.977 30.093 1.694 possible 778 100 A MET CE 10 C4H3u 0.770 1.880 6.307 93.152 37.161 2.507 possible 779 101 A SER N 12 N3H1s 0.700 1.640 2.682 14.269 14.103 1.012 [OK] 780 101 A SER CA 3 C4H1s 0.770 1.880 2.955 15.279 13.476 1.134 [OK] 781 101 A SER C 1 C3H0s 0.770 1.610 2.094 7.593 8.923 0.851 [OK] 782 101 A SER O 16 O1H0u 0.660 1.420 2.394 17.145 16.179 1.060 [OK] 783 101 A SER CB 8 C4H2s 0.770 1.880 3.454 26.621 23.884 1.115 possible 784 101 A SER OG 17 O2H1u 0.660 1.460 2.885 24.203 18.732 1.292 [OK] 785 102 A PHE N 12 N3H1s 0.700 1.640 2.625 14.350 13.691 1.048 [OK] 786 102 A PHE CA 3 C4H1s 0.770 1.880 2.641 13.428 13.449 0.998 [OK] 787 102 A PHE C 1 C3H0s 0.770 1.610 2.167 7.634 8.753 0.872 [OK] 788 102 A PHE O 16 O1H0u 0.660 1.420 2.375 14.885 16.151 0.922 [OK] 789 102 A PHE CB 8 C4H2s 0.770 1.880 3.214 27.101 23.777 1.140 possible 790 102 A PHE CG 2 C3H0b 0.770 1.610 2.775 10.082 9.721 1.037 [OK] 791 102 A PHE CD1 5 C3H1s 0.770 1.760 2.829 20.408 20.405 1.000 [OK] 792 102 A PHE CD2 6 C3H1b 0.770 1.760 3.051 19.946 21.051 0.948 possible 793 102 A PHE CE1 6 C3H1b 0.770 1.760 2.988 20.978 21.580 0.972 [OK] 794 102 A PHE CE2 6 C3H1b 0.770 1.760 3.670 22.929 21.680 1.058 possible 795 102 A PHE CZ 6 C3H1b 0.770 1.760 6.182 40.457 21.666 1.867 possible 796 103 A TRP N 12 N3H1s 0.700 1.640 2.326 13.060 13.791 0.947 [OK] 797 103 A TRP CA 3 C4H1s 0.770 1.880 2.661 12.520 13.377 0.936 [OK] 798 103 A TRP C 1 C3H0s 0.770 1.610 2.447 8.469 8.724 0.971 [OK] 799 103 A TRP O 16 O1H0u 0.660 1.420 2.975 17.372 15.951 1.089 [OK] 800 103 A TRP CB 8 C4H2s 0.770 1.880 3.108 26.040 24.004 1.085 possible 801 103 A TRP CG 2 C3H0b 0.770 1.610 2.363 9.887 9.965 0.992 [OK] 802 103 A TRP CD1 5 C3H1s 0.770 1.760 2.815 22.717 20.874 1.088 [OK] 803 103 A TRP CD2 2 C3H0b 0.770 1.610 2.471 9.635 10.097 0.954 [OK] 804 103 A TRP NE1 13 N3H1b 0.700 1.640 2.937 21.291 16.969 1.255 [OK] 805 103 A TRP CE2 2 C3H0b 0.770 1.610 2.722 10.825 9.889 1.095 [OK] 806 103 A TRP CE3 6 C3H1b 0.770 1.760 3.847 27.739 20.448 1.357 possible 807 103 A TRP CZ2 6 C3H1b 0.770 1.760 3.577 22.962 21.012 1.093 possible 808 103 A TRP CZ3 6 C3H1b 0.770 1.760 19.689 -1.000 21.516 -1.000 bad 809 103 A TRP CH2 6 C3H1b 0.770 1.760 16.887 -1.000 21.339 -1.000 bad 810 104 A LEU N 12 N3H1s 0.700 1.640 2.486 13.290 13.655 0.973 [OK] 811 104 A LEU CA 3 C4H1s 0.770 1.880 2.915 13.731 13.122 1.046 [OK] 812 104 A LEU C 1 C3H0s 0.770 1.610 2.878 9.044 8.825 1.025 [OK] 813 104 A LEU O 16 O1H0u 0.660 1.420 2.680 17.145 16.208 1.058 [OK] 814 104 A LEU CB 8 C4H2s 0.770 1.880 3.019 23.191 22.951 1.010 possible 815 104 A LEU CG 4 C4H1b 0.770 1.880 2.777 13.885 14.764 0.940 [OK] 816 104 A LEU CD1 10 C4H3u 0.770 1.880 4.010 39.617 37.425 1.059 possible 817 104 A LEU CD2 10 C4H3u 0.770 1.880 4.401 46.308 37.143 1.247 possible 818 105 A LEU N 12 N3H1s 0.700 1.640 2.462 13.695 13.655 1.003 [OK] 819 105 A LEU CA 3 C4H1s 0.770 1.880 2.783 12.496 13.122 0.952 [OK] 820 105 A LEU C 1 C3H0s 0.770 1.610 2.156 8.432 8.825 0.955 [OK] 821 105 A LEU O 16 O1H0u 0.660 1.420 2.348 15.042 16.208 0.928 [OK] 822 105 A LEU CB 8 C4H2s 0.770 1.880 2.951 21.922 22.951 0.955 [OK] 823 105 A LEU CG 4 C4H1b 0.770 1.880 3.065 16.879 14.764 1.143 possible 824 105 A LEU CD1 10 C4H3u 0.770 1.880 3.986 47.978 37.425 1.282 possible 825 105 A LEU CD2 10 C4H3u 0.770 1.880 4.185 43.756 37.143 1.178 possible 826 106 A PRO N 11 N3H0u 0.700 1.640 2.226 7.523 8.823 0.853 [OK] 827 106 A PRO CA 4 C4H1b 0.770 1.880 4.670 17.003 13.955 1.218 possible 828 106 A PRO C 1 C3H0s 0.770 1.610 3.963 9.787 8.812 1.111 possible 829 106 A PRO O 16 O1H0u 0.660 1.420 4.871 26.209 16.169 1.621 possible 830 106 A PRO CB 9 C4H2b 0.770 1.880 27.406 -1.000 25.563 -1.000 bad 831 106 A PRO CG 9 C4H2b 0.770 1.880 8.202 -1.000 25.832 -1.000 bad 832 106 A PRO CD 8 C4H2s 0.770 1.880 2.901 23.033 23.836 0.966 [OK] 833 107 A PRO N 11 N3H0u 0.700 1.640 4.379 10.675 8.823 1.210 possible 834 107 A PRO CA 4 C4H1b 0.770 1.880 4.277 19.269 13.955 1.381 possible 835 107 A PRO C 1 C3H0s 0.770 1.610 2.680 8.486 8.812 0.963 [OK] 836 107 A PRO O 16 O1H0u 0.660 1.420 2.494 15.621 16.169 0.966 [OK] 837 107 A PRO CB 9 C4H2b 0.770 1.880 3.059 25.316 25.563 0.990 possible 838 107 A PRO CG 9 C4H2b 0.770 1.880 4.608 34.620 25.832 1.340 possible 839 107 A PRO CD 8 C4H2s 0.770 1.880 3.833 21.749 23.836 0.912 possible 840 108 A SER N 12 N3H1s 0.700 1.640 2.423 12.852 14.103 0.911 [OK] 841 108 A SER CA 3 C4H1s 0.770 1.880 2.865 14.917 13.476 1.107 [OK] 842 108 A SER C 1 C3H0s 0.770 1.610 2.101 7.758 8.923 0.869 [OK] 843 108 A SER O 16 O1H0u 0.660 1.420 2.247 15.100 16.179 0.933 [OK] 844 108 A SER CB 8 C4H2s 0.770 1.880 3.123 24.556 23.884 1.028 possible 845 108 A SER OG 17 O2H1u 0.660 1.460 2.778 18.675 18.732 0.997 [OK] 846 109 A PHE N 12 N3H1s 0.700 1.640 2.324 12.128 13.691 0.886 [OK] 847 109 A PHE CA 3 C4H1s 0.770 1.880 2.624 12.970 13.449 0.964 [OK] 848 109 A PHE C 1 C3H0s 0.770 1.610 2.911 8.690 8.753 0.993 [OK] 849 109 A PHE O 16 O1H0u 0.660 1.420 2.411 13.547 16.151 0.839 [OK] 850 109 A PHE CB 8 C4H2s 0.770 1.880 4.766 29.677 23.777 1.248 possible 851 109 A PHE CG 2 C3H0b 0.770 1.610 3.767 12.200 9.721 1.255 possible 852 109 A PHE CD1 5 C3H1s 0.770 1.760 2.777 18.634 20.405 0.913 [OK] 853 109 A PHE CD2 6 C3H1b 0.770 1.760 4.330 26.403 21.051 1.254 possible 854 109 A PHE CE1 6 C3H1b 0.770 1.760 2.934 22.227 21.580 1.030 [OK] 855 109 A PHE CE2 6 C3H1b 0.770 1.760 3.235 20.007 21.680 0.923 possible 856 109 A PHE CZ 6 C3H1b 0.770 1.760 2.883 22.504 21.666 1.039 [OK] 857 110 A LEU N 12 N3H1s 0.700 1.640 4.546 16.081 13.655 1.178 possible 858 110 A LEU CA 3 C4H1s 0.770 1.880 4.727 17.674 13.122 1.347 possible 859 110 A LEU C 1 C3H0s 0.770 1.610 2.879 7.912 8.825 0.897 [OK] 860 110 A LEU O 16 O1H0u 0.660 1.420 2.849 15.392 16.208 0.950 [OK] 861 110 A LEU CB 8 C4H2s 0.770 1.880 5.297 32.877 22.951 1.432 possible 862 110 A LEU CG 4 C4H1b 0.770 1.880 3.928 20.140 14.764 1.364 possible 863 110 A LEU CD1 10 C4H3u 0.770 1.880 29.268 -1.000 37.425 -1.000 bad 864 110 A LEU CD2 10 C4H3u 0.770 1.880 5.818 65.652 37.143 1.768 possible 865 111 A LEU N 12 N3H1s 0.700 1.640 2.942 13.899 13.655 1.018 [OK] 866 111 A LEU CA 3 C4H1s 0.770 1.880 3.258 13.939 13.122 1.062 possible 867 111 A LEU C 1 C3H0s 0.770 1.610 2.542 8.558 8.825 0.970 [OK] 868 111 A LEU O 16 O1H0u 0.660 1.420 2.471 17.160 16.208 1.059 [OK] 869 111 A LEU CB 8 C4H2s 0.770 1.880 2.878 22.236 22.951 0.969 [OK] 870 111 A LEU CG 4 C4H1b 0.770 1.880 2.914 13.800 14.764 0.935 [OK] 871 111 A LEU CD1 10 C4H3u 0.770 1.880 2.926 37.858 37.425 1.012 [OK] 872 111 A LEU CD2 10 C4H3u 0.770 1.880 4.037 47.379 37.143 1.276 possible 873 112 A LEU N 12 N3H1s 0.700 1.640 2.531 12.747 13.655 0.934 [OK] 874 112 A LEU CA 3 C4H1s 0.770 1.880 2.923 14.309 13.122 1.090 [OK] 875 112 A LEU C 1 C3H0s 0.770 1.610 2.658 8.107 8.825 0.919 [OK] 876 112 A LEU O 16 O1H0u 0.660 1.420 3.081 20.322 16.208 1.254 possible 877 112 A LEU CB 8 C4H2s 0.770 1.880 2.935 23.813 22.951 1.038 [OK] 878 112 A LEU CG 4 C4H1b 0.770 1.880 3.502 17.305 14.764 1.172 possible 879 112 A LEU CD1 10 C4H3u 0.770 1.880 3.963 50.956 37.425 1.362 possible 880 112 A LEU CD2 10 C4H3u 0.770 1.880 3.391 39.875 37.143 1.074 possible 881 113 A LEU N 12 N3H1s 0.700 1.640 2.706 12.346 13.655 0.904 [OK] 882 113 A LEU CA 3 C4H1s 0.770 1.880 3.227 13.825 13.122 1.054 possible 883 113 A LEU C 1 C3H0s 0.770 1.610 3.456 9.264 8.825 1.050 possible 884 113 A LEU O 16 O1H0u 0.660 1.420 2.836 17.643 16.208 1.089 [OK] 885 113 A LEU CB 8 C4H2s 0.770 1.880 4.936 39.451 22.951 1.719 possible 886 113 A LEU CG 4 C4H1b 0.770 1.880 2.891 13.522 14.764 0.916 [OK] 887 113 A LEU CD1 10 C4H3u 0.770 1.880 7.360 100.492 37.425 2.685 possible 888 113 A LEU CD2 10 C4H3u 0.770 1.880 3.772 55.703 37.143 1.500 possible 889 114 A ALA N 12 N3H1s 0.700 1.640 3.484 14.136 14.046 1.006 possible 890 114 A ALA CA 4 C4H1b 0.770 1.880 3.518 16.376 14.063 1.164 possible 891 114 A ALA C 1 C3H0s 0.770 1.610 2.202 8.043 8.900 0.904 [OK] 892 114 A ALA O 16 O1H0u 0.660 1.420 2.365 15.033 16.188 0.929 [OK] 893 114 A ALA CB 10 C4H3u 0.770 1.880 3.930 44.164 36.782 1.201 possible 894 115 A SER N 12 N3H1s 0.700 1.640 2.391 12.771 14.103 0.906 [OK] 895 115 A SER CA 3 C4H1s 0.770 1.880 2.637 13.418 13.476 0.996 [OK] 896 115 A SER C 1 C3H0s 0.770 1.610 2.487 7.878 8.923 0.883 [OK] 897 115 A SER O 16 O1H0u 0.660 1.420 2.545 16.036 16.179 0.991 [OK] 898 115 A SER CB 8 C4H2s 0.770 1.880 2.911 22.674 23.884 0.949 [OK] 899 115 A SER OG 17 O2H1u 0.660 1.460 3.520 27.981 18.732 1.494 possible 900 116 A SER N 12 N3H1s 0.700 1.640 2.588 13.189 14.103 0.935 [OK] 901 116 A SER CA 3 C4H1s 0.770 1.880 3.213 14.207 13.476 1.054 possible 902 116 A SER C 1 C3H0s 0.770 1.610 2.538 9.348 8.923 1.048 [OK] 903 116 A SER O 16 O1H0u 0.660 1.420 2.774 20.134 16.179 1.244 [OK] 904 116 A SER CB 8 C4H2s 0.770 1.880 4.018 38.076 23.884 1.594 possible 905 116 A SER OG 17 O2H1u 0.660 1.460 3.351 26.542 18.732 1.417 possible 906 117 A MET N 12 N3H1s 0.700 1.640 2.393 12.160 13.564 0.897 [OK] 907 117 A MET CA 3 C4H1s 0.770 1.880 2.965 13.294 13.231 1.005 [OK] 908 117 A MET C 1 C3H0s 0.770 1.610 2.437 8.951 8.782 1.019 [OK] 909 117 A MET O 16 O1H0u 0.660 1.420 2.356 15.813 16.277 0.971 [OK] 910 117 A MET CB 8 C4H2s 0.770 1.880 2.927 23.199 23.645 0.981 [OK] 911 117 A MET CG 9 C4H2b 0.770 1.880 3.124 24.102 24.009 1.004 possible 912 117 A MET SD 19 S2H0u 1.040 1.770 18.325 -1.000 30.093 -1.000 bad 913 117 A MET CE 10 C4H3u 0.770 1.880 23.160 -1.000 37.161 -1.000 bad 914 118 A VAL N 12 N3H1s 0.700 1.640 2.380 12.765 13.676 0.933 [OK] 915 118 A VAL CA 3 C4H1s 0.770 1.880 2.857 12.787 13.123 0.974 [OK] 916 118 A VAL C 1 C3H0s 0.770 1.610 2.355 8.380 8.563 0.979 [OK] 917 118 A VAL O 16 O1H0u 0.660 1.420 2.357 15.771 16.181 0.975 [OK] 918 118 A VAL CB 4 C4H1b 0.770 1.880 3.463 19.293 14.598 1.322 possible 919 118 A VAL CG1 10 C4H3u 0.770 1.880 3.903 39.037 36.584 1.067 possible 920 118 A VAL CG2 10 C4H3u 0.770 1.880 3.127 33.967 36.332 0.935 possible 921 119 A GLU N 12 N3H1s 0.700 1.640 3.499 20.670 13.615 1.518 possible 922 119 A GLU CA 3 C4H1s 0.770 1.880 4.367 20.066 13.399 1.498 possible 923 119 A GLU C 1 C3H0s 0.770 1.610 5.415 13.565 8.675 1.564 possible 924 119 A GLU O 16 O1H0u 0.660 1.420 5.161 24.108 16.023 1.505 possible 925 119 A GLU CB 8 C4H2s 0.770 1.880 4.251 32.898 23.529 1.398 possible 926 119 A GLU CG 8 C4H2s 0.770 1.880 3.346 29.513 23.513 1.255 possible 927 119 A GLU CD 2 C3H0b 0.770 1.610 3.525 11.256 9.460 1.190 possible 928 119 A GLU OE1 16 O1H0u 0.660 1.420 35.425 -1.000 15.999 -1.000 bad 929 119 A GLU OE2 16 O1H0u 0.660 1.420 7.356 88.402 17.432 5.071 possible 930 120 A ALA N 12 N3H1s 0.700 1.640 4.122 22.109 14.046 1.574 possible 931 120 A ALA CA 4 C4H1b 0.770 1.880 3.290 13.502 14.063 0.960 possible 932 120 A ALA C 1 C3H0s 0.770 1.610 2.750 10.022 8.900 1.126 [OK] 933 120 A ALA O 16 O1H0u 0.660 1.420 3.052 20.064 16.188 1.239 possible 934 120 A ALA CB 10 C4H3u 0.770 1.880 44.605 -1.000 36.782 -1.000 bad 935 121 A GLY N 12 N3H1s 0.700 1.640 2.908 15.802 14.854 1.064 [OK] 936 121 A GLY CA 8 C4H2s 0.770 1.880 3.243 22.553 23.688 0.952 possible 937 121 A GLY C 2 C3H0b 0.770 1.610 2.176 8.461 9.840 0.860 [OK] 938 121 A GLY O 16 O1H0u 0.660 1.420 3.509 21.663 16.391 1.322 possible 939 122 A ALA N 12 N3H1s 0.700 1.640 3.670 20.591 14.046 1.466 possible 940 122 A ALA CA 4 C4H1b 0.770 1.880 2.913 14.446 14.063 1.027 [OK] 941 122 A ALA C 1 C3H0s 0.770 1.610 2.355 8.650 8.900 0.972 [OK] 942 122 A ALA O 16 O1H0u 0.660 1.420 3.507 21.687 16.188 1.340 possible 943 122 A ALA CB 10 C4H3u 0.770 1.880 3.935 48.116 36.782 1.308 possible 944 123 A GLY N 12 N3H1s 0.700 1.640 2.388 14.395 14.854 0.969 [OK] 945 123 A GLY CA 8 C4H2s 0.770 1.880 3.037 24.705 23.688 1.043 possible 946 123 A GLY C 2 C3H0b 0.770 1.610 2.632 9.619 9.840 0.977 [OK] 947 123 A GLY O 16 O1H0u 0.660 1.420 3.033 24.315 16.391 1.483 possible 948 124 A THR N 12 N3H1s 0.700 1.640 2.382 13.226 13.832 0.956 [OK] 949 124 A THR CA 3 C4H1s 0.770 1.880 2.961 13.975 13.099 1.067 [OK] 950 124 A THR C 1 C3H0s 0.770 1.610 2.417 8.630 8.738 0.988 [OK] 951 124 A THR O 16 O1H0u 0.660 1.420 3.021 26.573 16.020 1.659 possible 952 124 A THR CB 4 C4H1b 0.770 1.880 3.263 16.074 14.829 1.084 possible 953 124 A THR OG1 17 O2H1u 0.660 1.460 2.989 23.143 18.123 1.277 [OK] 954 124 A THR CG2 10 C4H3u 0.770 1.880 2.999 35.027 36.542 0.959 [OK] 955 125 A GLY N 12 N3H1s 0.700 1.640 2.913 14.537 14.854 0.979 [OK] 956 125 A GLY CA 8 C4H2s 0.770 1.880 3.414 28.558 23.688 1.206 possible 957 125 A GLY C 2 C3H0b 0.770 1.610 2.521 9.624 9.840 0.978 [OK] 958 125 A GLY O 16 O1H0u 0.660 1.420 2.664 15.663 16.391 0.956 [OK] 959 126 A TRP N 12 N3H1s 0.700 1.640 2.650 14.510 13.791 1.052 [OK] 960 126 A TRP CA 3 C4H1s 0.770 1.880 2.768 13.555 13.377 1.013 [OK] 961 126 A TRP C 1 C3H0s 0.770 1.610 2.492 8.789 8.724 1.007 [OK] 962 126 A TRP O 16 O1H0u 0.660 1.420 2.806 18.570 15.951 1.164 [OK] 963 126 A TRP CB 8 C4H2s 0.770 1.880 3.091 23.941 24.004 0.997 possible 964 126 A TRP CG 2 C3H0b 0.770 1.610 2.537 9.480 9.965 0.951 [OK] 965 126 A TRP CD1 5 C3H1s 0.770 1.760 2.724 20.260 20.874 0.971 [OK] 966 126 A TRP CD2 2 C3H0b 0.770 1.610 2.704 11.290 10.097 1.118 [OK] 967 126 A TRP NE1 13 N3H1b 0.700 1.640 2.681 17.838 16.969 1.051 [OK] 968 126 A TRP CE2 2 C3H0b 0.770 1.610 2.555 11.140 9.889 1.127 [OK] 969 126 A TRP CE3 6 C3H1b 0.770 1.760 3.420 24.933 20.448 1.219 possible 970 126 A TRP CZ2 6 C3H1b 0.770 1.760 3.161 26.271 21.012 1.250 possible 971 126 A TRP CZ3 6 C3H1b 0.770 1.760 3.394 26.589 21.516 1.236 possible 972 126 A TRP CH2 6 C3H1b 0.770 1.760 3.219 29.638 21.339 1.389 possible 973 127 A THR N 12 N3H1s 0.700 1.640 2.508 13.055 13.832 0.944 [OK] 974 127 A THR CA 3 C4H1s 0.770 1.880 2.629 12.390 13.099 0.946 [OK] 975 127 A THR C 1 C3H0s 0.770 1.610 2.470 8.782 8.738 1.005 [OK] 976 127 A THR O 16 O1H0u 0.660 1.420 2.497 16.303 16.020 1.018 [OK] 977 127 A THR CB 4 C4H1b 0.770 1.880 2.876 13.728 14.829 0.926 [OK] 978 127 A THR OG1 17 O2H1u 0.660 1.460 3.397 28.347 18.123 1.564 possible 979 127 A THR CG2 10 C4H3u 0.770 1.880 4.113 42.848 36.542 1.173 possible 980 128 A VAL N 12 N3H1s 0.700 1.640 2.704 14.191 13.676 1.038 [OK] 981 128 A VAL CA 3 C4H1s 0.770 1.880 2.702 13.325 13.123 1.015 [OK] 982 128 A VAL C 1 C3H0s 0.770 1.610 2.627 9.082 8.563 1.061 [OK] 983 128 A VAL O 16 O1H0u 0.660 1.420 2.430 15.761 16.181 0.974 [OK] 984 128 A VAL CB 4 C4H1b 0.770 1.880 3.338 16.390 14.598 1.123 possible 985 128 A VAL CG1 10 C4H3u 0.770 1.880 3.398 46.187 36.584 1.262 possible 986 128 A VAL CG2 10 C4H3u 0.770 1.880 3.477 38.164 36.332 1.050 possible 987 129 A TYR N 12 N3H1s 0.700 1.640 3.111 18.533 13.691 1.354 possible 988 129 A TYR CA 3 C4H1s 0.770 1.880 2.628 11.883 13.330 0.891 [OK] 989 129 A TYR C 1 C3H0s 0.770 1.610 2.453 8.191 8.770 0.934 [OK] 990 129 A TYR O 16 O1H0u 0.660 1.420 3.017 20.761 16.124 1.288 possible 991 129 A TYR CB 8 C4H2s 0.770 1.880 3.839 32.542 23.678 1.374 possible 992 129 A TYR CG 2 C3H0b 0.770 1.610 3.197 12.757 9.732 1.311 possible 993 129 A TYR CD1 5 C3H1s 0.770 1.760 2.912 19.037 20.171 0.944 [OK] 994 129 A TYR CD2 5 C3H1s 0.770 1.760 3.347 23.088 20.728 1.114 possible 995 129 A TYR CE1 5 C3H1s 0.770 1.760 2.900 23.450 20.675 1.134 [OK] 996 129 A TYR CE2 5 C3H1s 0.770 1.760 3.699 30.420 20.810 1.462 possible 997 129 A TYR CZ 2 C3H0b 0.770 1.610 3.432 11.116 9.926 1.120 possible 998 129 A TYR OH 17 O2H1u 0.660 1.460 3.713 33.399 19.173 1.742 possible 999 130 A PRO N 11 N3H0u 0.700 1.640 2.632 8.278 8.823 0.938 [OK] 1000 130 A PRO CA 4 C4H1b 0.770 1.880 2.685 14.093 13.955 1.010 [OK] 1001 130 A PRO C 1 C3H0s 0.770 1.610 3.026 10.099 8.812 1.146 possible 1002 130 A PRO O 16 O1H0u 0.660 1.420 2.872 20.364 16.169 1.259 [OK] 1003 130 A PRO CB 9 C4H2b 0.770 1.880 4.334 37.267 25.563 1.458 possible 1004 130 A PRO CG 9 C4H2b 0.770 1.880 3.195 26.196 25.832 1.014 possible 1005 130 A PRO CD 8 C4H2s 0.770 1.880 3.297 25.626 23.836 1.075 possible 1006 131 A PRO N 11 N3H0u 0.700 1.640 3.070 9.030 8.823 1.023 possible 1007 131 A PRO CA 4 C4H1b 0.770 1.880 4.330 20.636 13.955 1.479 possible 1008 131 A PRO C 1 C3H0s 0.770 1.610 2.314 8.519 8.812 0.967 [OK] 1009 131 A PRO O 16 O1H0u 0.660 1.420 3.429 21.130 16.169 1.307 possible 1010 131 A PRO CB 9 C4H2b 0.770 1.880 4.863 57.679 25.563 2.256 possible 1011 131 A PRO CG 9 C4H2b 0.770 1.880 4.520 40.224 25.832 1.557 possible 1012 131 A PRO CD 8 C4H2s 0.770 1.880 3.161 26.510 23.836 1.112 possible 1013 132 A LEU N 12 N3H1s 0.700 1.640 3.102 16.849 13.655 1.234 possible 1014 132 A LEU CA 3 C4H1s 0.770 1.880 2.403 11.751 13.122 0.896 [OK] 1015 132 A LEU C 1 C3H0s 0.770 1.610 2.555 8.120 8.825 0.920 [OK] 1016 132 A LEU O 16 O1H0u 0.660 1.420 2.408 14.902 16.208 0.919 [OK] 1017 132 A LEU CB 8 C4H2s 0.770 1.880 3.647 33.995 22.951 1.481 possible 1018 132 A LEU CG 4 C4H1b 0.770 1.880 3.003 14.126 14.764 0.957 possible 1019 132 A LEU CD1 10 C4H3u 0.770 1.880 3.722 39.877 37.425 1.066 possible 1020 132 A LEU CD2 10 C4H3u 0.770 1.880 3.533 39.626 37.143 1.067 possible 1021 133 A ALA N 12 N3H1s 0.700 1.640 2.810 13.363 14.046 0.951 [OK] 1022 133 A ALA CA 4 C4H1b 0.770 1.880 2.670 13.718 14.063 0.975 [OK] 1023 133 A ALA C 1 C3H0s 0.770 1.610 2.481 9.561 8.900 1.074 [OK] 1024 133 A ALA O 16 O1H0u 0.660 1.420 2.357 17.272 16.188 1.067 [OK] 1025 133 A ALA CB 10 C4H3u 0.770 1.880 2.893 33.236 36.782 0.904 [OK] 1026 134 A GLY N 12 N3H1s 0.700 1.640 2.613 15.222 14.854 1.025 [OK] 1027 134 A GLY CA 8 C4H2s 0.770 1.880 4.769 48.315 23.688 2.040 possible 1028 134 A GLY C 2 C3H0b 0.770 1.610 3.232 10.661 9.840 1.083 possible 1029 134 A GLY O 16 O1H0u 0.660 1.420 2.649 16.553 16.391 1.010 [OK] 1030 135 A ASN N 12 N3H1s 0.700 1.640 3.757 20.806 13.695 1.519 possible 1031 135 A ASN CA 3 C4H1s 0.770 1.880 3.070 14.402 13.167 1.094 possible 1032 135 A ASN C 1 C3H0s 0.770 1.610 2.685 9.245 8.928 1.036 [OK] 1033 135 A ASN O 16 O1H0u 0.660 1.420 6.048 41.911 16.199 2.587 possible 1034 135 A ASN CB 8 C4H2s 0.770 1.880 3.625 32.367 23.128 1.399 possible 1035 135 A ASN CG 2 C3H0b 0.770 1.610 3.246 11.854 9.599 1.235 possible 1036 135 A ASN OD1 16 O1H0u 0.660 1.420 3.994 35.790 16.664 2.148 possible 1037 135 A ASN ND2 15 N3H2u 0.700 1.640 3.140 23.520 23.083 1.019 possible 1038 136 A LEU N 12 N3H1s 0.700 1.640 3.519 16.363 13.655 1.198 possible 1039 136 A LEU CA 3 C4H1s 0.770 1.880 4.641 16.298 13.122 1.242 possible 1040 136 A LEU C 1 C3H0s 0.770 1.610 3.015 9.124 8.825 1.034 possible 1041 136 A LEU O 16 O1H0u 0.660 1.420 18.746 -1.000 16.208 -1.000 bad 1042 136 A LEU CB 8 C4H2s 0.770 1.880 4.514 37.213 22.951 1.621 possible 1043 136 A LEU CG 4 C4H1b 0.770 1.880 7.116 46.800 14.764 3.170 possible 1044 136 A LEU CD1 10 C4H3u 0.770 1.880 56.064 -1.000 37.425 -1.000 bad 1045 136 A LEU CD2 10 C4H3u 0.770 1.880 59.977 -1.000 37.143 -1.000 bad 1046 137 A ALA N 12 N3H1s 0.700 1.640 3.506 19.166 14.046 1.364 possible 1047 137 A ALA CA 4 C4H1b 0.770 1.880 4.761 24.324 14.063 1.730 possible 1048 137 A ALA C 1 C3H0s 0.770 1.610 2.811 9.516 8.900 1.069 [OK] 1049 137 A ALA O 16 O1H0u 0.660 1.420 6.954 75.122 16.188 4.641 possible 1050 137 A ALA CB 10 C4H3u 0.770 1.880 3.975 43.088 36.782 1.171 possible 1051 138 A HIS N 12 N3H1s 0.700 1.640 2.546 13.637 13.715 0.994 [OK] 1052 138 A HIS CA 3 C4H1s 0.770 1.880 4.419 17.600 13.467 1.307 possible 1053 138 A HIS C 1 C3H0s 0.770 1.610 2.928 9.665 8.882 1.088 [OK] 1054 138 A HIS O 16 O1H0u 0.660 1.420 2.957 17.790 16.082 1.106 [OK] 1055 138 A HIS CB 8 C4H2s 0.770 1.880 3.160 22.620 23.653 0.956 possible 1056 138 A HIS CG 2 C3H0b 0.770 1.610 2.487 9.960 9.952 1.001 [OK] 1057 138 A HIS ND1 13 N3H1b 0.700 1.640 2.665 15.144 15.506 0.977 [OK] 1058 138 A HIS CD2 5 C3H1s 0.770 1.760 4.192 36.146 21.085 1.714 possible 1059 138 A HIS CE1 5 C3H1s 0.770 1.760 3.590 26.047 20.636 1.262 possible 1060 138 A HIS NE2 13 N3H1b 0.700 1.640 3.374 17.511 15.337 1.142 possible 1061 139 A ALA N 12 N3H1s 0.700 1.640 5.764 24.545 14.046 1.747 possible 1062 139 A ALA CA 4 C4H1b 0.770 1.880 3.419 15.028 14.063 1.069 possible 1063 139 A ALA C 1 C3H0s 0.770 1.610 4.066 9.380 8.900 1.054 possible 1064 139 A ALA O 16 O1H0u 0.660 1.420 5.883 51.741 16.188 3.196 possible 1065 139 A ALA CB 10 C4H3u 0.770 1.880 46.230 -1.000 36.782 -1.000 bad 1066 140 A GLY N 12 N3H1s 0.700 1.640 7.043 37.634 14.854 2.534 possible 1067 140 A GLY CA 8 C4H2s 0.770 1.880 6.985 47.183 23.688 1.992 possible 1068 140 A GLY C 2 C3H0b 0.770 1.610 2.991 10.183 9.840 1.035 [OK] 1069 140 A GLY O 16 O1H0u 0.660 1.420 2.924 21.166 16.391 1.291 [OK] 1070 141 A ALA N 12 N3H1s 0.700 1.640 3.635 20.048 14.046 1.427 possible 1071 141 A ALA CA 4 C4H1b 0.770 1.880 2.880 13.233 14.063 0.941 [OK] 1072 141 A ALA C 1 C3H0s 0.770 1.610 2.426 9.231 8.900 1.037 [OK] 1073 141 A ALA O 16 O1H0u 0.660 1.420 2.462 14.597 16.188 0.902 [OK] 1074 141 A ALA CB 10 C4H3u 0.770 1.880 3.565 44.452 36.782 1.209 possible 1075 142 A SER N 12 N3H1s 0.700 1.640 3.221 18.270 14.103 1.295 possible 1076 142 A SER CA 3 C4H1s 0.770 1.880 2.637 13.227 13.476 0.982 [OK] 1077 142 A SER C 1 C3H0s 0.770 1.610 2.312 7.864 8.923 0.881 [OK] 1078 142 A SER O 16 O1H0u 0.660 1.420 2.366 14.347 16.179 0.887 [OK] 1079 142 A SER CB 8 C4H2s 0.770 1.880 3.831 30.921 23.884 1.295 possible 1080 142 A SER OG 17 O2H1u 0.660 1.460 3.230 18.855 18.732 1.007 possible 1081 143 A VAL N 12 N3H1s 0.700 1.640 3.258 17.901 13.676 1.309 possible 1082 143 A VAL CA 3 C4H1s 0.770 1.880 3.200 13.613 13.123 1.037 possible 1083 143 A VAL C 1 C3H0s 0.770 1.610 2.588 7.875 8.563 0.920 [OK] 1084 143 A VAL O 16 O1H0u 0.660 1.420 2.723 14.505 16.181 0.896 [OK] 1085 143 A VAL CB 4 C4H1b 0.770 1.880 2.724 13.159 14.598 0.901 [OK] 1086 143 A VAL CG1 10 C4H3u 0.770 1.880 3.381 36.919 36.584 1.009 possible 1087 143 A VAL CG2 10 C4H3u 0.770 1.880 3.477 38.134 36.332 1.050 possible 1088 144 A ASP N 12 N3H1s 0.700 1.640 2.602 14.234 13.895 1.024 [OK] 1089 144 A ASP CA 3 C4H1s 0.770 1.880 2.684 13.532 13.377 1.012 [OK] 1090 144 A ASP C 1 C3H0s 0.770 1.610 2.661 8.958 8.816 1.016 [OK] 1091 144 A ASP O 16 O1H0u 0.660 1.420 2.486 15.942 16.091 0.991 [OK] 1092 144 A ASP CB 8 C4H2s 0.770 1.880 3.347 30.639 23.481 1.305 possible 1093 144 A ASP CG 2 C3H0b 0.770 1.610 2.882 9.678 9.422 1.027 [OK] 1094 144 A ASP OD1 16 O1H0u 0.660 1.420 2.307 16.267 15.505 1.049 [OK] 1095 144 A ASP OD2 16 O1H0u 0.660 1.420 2.871 18.007 16.324 1.103 [OK] 1096 145 A LEU N 12 N3H1s 0.700 1.640 2.679 12.834 13.655 0.940 [OK] 1097 145 A LEU CA 3 C4H1s 0.770 1.880 2.942 14.038 13.122 1.070 [OK] 1098 145 A LEU C 1 C3H0s 0.770 1.610 2.682 8.805 8.825 0.998 [OK] 1099 145 A LEU O 16 O1H0u 0.660 1.420 2.521 17.710 16.208 1.093 [OK] 1100 145 A LEU CB 8 C4H2s 0.770 1.880 2.698 21.072 22.951 0.918 [OK] 1101 145 A LEU CG 4 C4H1b 0.770 1.880 2.808 13.894 14.764 0.941 [OK] 1102 145 A LEU CD1 10 C4H3u 0.770 1.880 3.973 44.001 37.425 1.176 possible 1103 145 A LEU CD2 10 C4H3u 0.770 1.880 4.082 46.691 37.143 1.257 possible 1104 146 A THR N 12 N3H1s 0.700 1.640 2.705 12.494 13.832 0.903 [OK] 1105 146 A THR CA 3 C4H1s 0.770 1.880 2.909 15.031 13.099 1.148 [OK] 1106 146 A THR C 1 C3H0s 0.770 1.610 2.580 7.799 8.738 0.892 [OK] 1107 146 A THR O 16 O1H0u 0.660 1.420 2.674 16.187 16.020 1.010 [OK] 1108 146 A THR CB 4 C4H1b 0.770 1.880 3.330 15.197 14.829 1.025 possible 1109 146 A THR OG1 17 O2H1u 0.660 1.460 3.297 23.786 18.123 1.312 possible 1110 146 A THR CG2 10 C4H3u 0.770 1.880 3.477 48.344 36.542 1.323 possible 1111 147 A ILE N 12 N3H1s 0.700 1.640 2.843 12.887 13.633 0.945 [OK] 1112 147 A ILE CA 3 C4H1s 0.770 1.880 3.149 14.825 13.007 1.140 possible 1113 147 A ILE C 1 C3H0s 0.770 1.610 2.432 7.482 8.470 0.883 [OK] 1114 147 A ILE O 16 O1H0u 0.660 1.420 2.280 14.830 16.144 0.919 [OK] 1115 147 A ILE CB 4 C4H1b 0.770 1.880 2.949 14.019 14.227 0.985 [OK] 1116 147 A ILE CG1 9 C4H2b 0.770 1.880 3.353 30.155 24.187 1.247 possible 1117 147 A ILE CG2 10 C4H3u 0.770 1.880 2.979 34.984 35.961 0.973 [OK] 1118 147 A ILE CD1 10 C4H3u 0.770 1.880 2.826 35.728 38.377 0.931 [OK] 1119 148 A PHE N 12 N3H1s 0.700 1.640 2.646 13.100 13.691 0.957 [OK] 1120 148 A PHE CA 3 C4H1s 0.770 1.880 2.879 12.886 13.449 0.958 [OK] 1121 148 A PHE C 1 C3H0s 0.770 1.610 2.235 8.267 8.753 0.944 [OK] 1122 148 A PHE O 16 O1H0u 0.660 1.420 2.481 16.503 16.151 1.022 [OK] 1123 148 A PHE CB 8 C4H2s 0.770 1.880 3.067 24.422 23.777 1.027 possible 1124 148 A PHE CG 2 C3H0b 0.770 1.610 2.713 9.604 9.721 0.988 [OK] 1125 148 A PHE CD1 5 C3H1s 0.770 1.760 3.628 22.398 20.405 1.098 possible 1126 148 A PHE CD2 6 C3H1b 0.770 1.760 3.036 20.831 21.051 0.990 possible 1127 148 A PHE CE1 6 C3H1b 0.770 1.760 4.284 31.435 21.580 1.457 possible 1128 148 A PHE CE2 6 C3H1b 0.770 1.760 3.196 23.498 21.680 1.084 possible 1129 148 A PHE CZ 6 C3H1b 0.770 1.760 2.967 21.754 21.666 1.004 [OK] 1130 149 A SER N 12 N3H1s 0.700 1.640 2.405 12.825 14.103 0.909 [OK] 1131 149 A SER CA 3 C4H1s 0.770 1.880 2.865 14.875 13.476 1.104 [OK] 1132 149 A SER C 1 C3H0s 0.770 1.610 2.559 7.894 8.923 0.885 [OK] 1133 149 A SER O 16 O1H0u 0.660 1.420 2.847 15.654 16.179 0.968 [OK] 1134 149 A SER CB 8 C4H2s 0.770 1.880 2.980 23.623 23.884 0.989 [OK] 1135 149 A SER OG 17 O2H1u 0.660 1.460 2.916 24.425 18.732 1.304 [OK] 1136 150 A LEU N 12 N3H1s 0.700 1.640 2.472 12.738 13.655 0.933 [OK] 1137 150 A LEU CA 3 C4H1s 0.770 1.880 3.242 14.221 13.122 1.084 possible 1138 150 A LEU C 1 C3H0s 0.770 1.610 2.488 8.603 8.825 0.975 [OK] 1139 150 A LEU O 16 O1H0u 0.660 1.420 3.151 25.363 16.208 1.565 possible 1140 150 A LEU CB 8 C4H2s 0.770 1.880 3.022 21.587 22.951 0.941 possible 1141 150 A LEU CG 4 C4H1b 0.770 1.880 3.449 20.071 14.764 1.359 possible 1142 150 A LEU CD1 10 C4H3u 0.770 1.880 3.453 49.242 37.425 1.316 possible 1143 150 A LEU CD2 10 C4H3u 0.770 1.880 3.683 51.076 37.143 1.375 possible 1144 151 A HIS N 12 N3H1s 0.700 1.640 2.564 12.929 13.715 0.943 [OK] 1145 151 A HIS CA 3 C4H1s 0.770 1.880 3.485 14.978 13.467 1.112 possible 1146 151 A HIS C 1 C3H0s 0.770 1.610 2.975 8.631 8.882 0.972 [OK] 1147 151 A HIS O 16 O1H0u 0.660 1.420 3.161 21.046 16.082 1.309 possible 1148 151 A HIS CB 8 C4H2s 0.770 1.880 5.661 36.601 23.653 1.547 possible 1149 151 A HIS CG 2 C3H0b 0.770 1.610 5.469 16.554 9.952 1.663 possible 1150 151 A HIS ND1 13 N3H1b 0.700 1.640 6.508 39.829 15.506 2.569 possible 1151 151 A HIS CD2 5 C3H1s 0.770 1.760 5.719 36.612 21.085 1.736 possible 1152 151 A HIS CE1 5 C3H1s 0.770 1.760 5.758 45.408 20.636 2.200 possible 1153 151 A HIS NE2 13 N3H1b 0.700 1.640 5.517 24.491 15.337 1.597 possible 1154 152 A LEU N 12 N3H1s 0.700 1.640 2.454 12.913 13.655 0.946 [OK] 1155 152 A LEU CA 3 C4H1s 0.770 1.880 3.064 14.038 13.122 1.070 possible 1156 152 A LEU C 1 C3H0s 0.770 1.610 2.786 8.890 8.825 1.007 [OK] 1157 152 A LEU O 16 O1H0u 0.660 1.420 2.673 17.064 16.208 1.053 [OK] 1158 152 A LEU CB 8 C4H2s 0.770 1.880 2.880 23.838 22.951 1.039 [OK] 1159 152 A LEU CG 4 C4H1b 0.770 1.880 2.865 15.508 14.764 1.050 [OK] 1160 152 A LEU CD1 10 C4H3u 0.770 1.880 3.123 39.991 37.425 1.069 possible 1161 152 A LEU CD2 10 C4H3u 0.770 1.880 5.383 56.951 37.143 1.533 possible 1162 153 A ALA N 12 N3H1s 0.700 1.640 2.834 13.512 14.046 0.962 [OK] 1163 153 A ALA CA 4 C4H1b 0.770 1.880 3.077 15.465 14.063 1.100 possible 1164 153 A ALA C 1 C3H0s 0.770 1.610 3.192 9.010 8.900 1.012 possible 1165 153 A ALA O 16 O1H0u 0.660 1.420 3.262 21.869 16.188 1.351 possible 1166 153 A ALA CB 10 C4H3u 0.770 1.880 3.934 53.277 36.782 1.448 possible 1167 154 A GLY N 12 N3H1s 0.700 1.640 3.308 15.252 14.854 1.027 possible 1168 154 A GLY CA 8 C4H2s 0.770 1.880 3.686 37.385 23.688 1.578 possible 1169 154 A GLY C 2 C3H0b 0.770 1.610 3.329 10.156 9.840 1.032 possible 1170 154 A GLY O 16 O1H0u 0.660 1.420 2.391 14.501 16.391 0.885 [OK] 1171 155 A VAL N 12 N3H1s 0.700 1.640 3.465 15.434 13.676 1.129 possible 1172 155 A VAL CA 3 C4H1s 0.770 1.880 3.823 16.273 13.123 1.240 possible 1173 155 A VAL C 1 C3H0s 0.770 1.610 2.362 7.486 8.563 0.874 [OK] 1174 155 A VAL O 16 O1H0u 0.660 1.420 2.780 15.030 16.181 0.929 [OK] 1175 155 A VAL CB 4 C4H1b 0.770 1.880 3.361 15.804 14.598 1.083 possible 1176 155 A VAL CG1 10 C4H3u 0.770 1.880 21.366 -1.000 36.584 -1.000 bad 1177 155 A VAL CG2 10 C4H3u 0.770 1.880 43.023 -1.000 36.332 -1.000 bad 1178 156 A SER N 12 N3H1s 0.700 1.640 2.320 12.459 14.103 0.883 [OK] 1179 156 A SER CA 3 C4H1s 0.770 1.880 2.955 14.536 13.476 1.079 [OK] 1180 156 A SER C 1 C3H0s 0.770 1.610 2.753 7.835 8.923 0.878 [OK] 1181 156 A SER O 16 O1H0u 0.660 1.420 3.356 18.250 16.179 1.128 possible 1182 156 A SER CB 8 C4H2s 0.770 1.880 2.981 22.870 23.884 0.958 [OK] 1183 156 A SER OG 17 O2H1u 0.660 1.460 3.450 26.166 18.732 1.397 possible 1184 157 A SER N 12 N3H1s 0.700 1.640 2.841 13.444 14.103 0.953 [OK] 1185 157 A SER CA 3 C4H1s 0.770 1.880 4.115 19.633 13.476 1.457 possible 1186 157 A SER C 1 C3H0s 0.770 1.610 2.689 8.706 8.923 0.976 [OK] 1187 157 A SER O 16 O1H0u 0.660 1.420 3.143 20.162 16.179 1.246 possible 1188 157 A SER CB 8 C4H2s 0.770 1.880 3.470 24.334 23.884 1.019 possible 1189 157 A SER OG 17 O2H1u 0.660 1.460 3.637 45.973 18.732 2.454 possible 1190 158 A ILE N 12 N3H1s 0.700 1.640 2.763 12.633 13.633 0.927 [OK] 1191 158 A ILE CA 3 C4H1s 0.770 1.880 3.112 15.337 13.007 1.179 possible 1192 158 A ILE C 1 C3H0s 0.770 1.610 2.426 7.733 8.470 0.913 [OK] 1193 158 A ILE O 16 O1H0u 0.660 1.420 2.462 14.937 16.144 0.925 [OK] 1194 158 A ILE CB 4 C4H1b 0.770 1.880 3.435 14.792 14.227 1.040 possible 1195 158 A ILE CG1 9 C4H2b 0.770 1.880 3.075 26.808 24.187 1.108 possible 1196 158 A ILE CG2 10 C4H3u 0.770 1.880 4.546 48.509 35.961 1.349 possible 1197 158 A ILE CD1 10 C4H3u 0.770 1.880 5.539 74.685 38.377 1.946 possible 1198 159 A LEU N 12 N3H1s 0.700 1.640 2.447 12.001 13.655 0.879 [OK] 1199 159 A LEU CA 3 C4H1s 0.770 1.880 2.948 13.551 13.122 1.033 [OK] 1200 159 A LEU C 1 C3H0s 0.770 1.610 2.748 8.589 8.825 0.973 [OK] 1201 159 A LEU O 16 O1H0u 0.660 1.420 2.743 16.828 16.208 1.038 [OK] 1202 159 A LEU CB 8 C4H2s 0.770 1.880 2.979 23.427 22.951 1.021 [OK] 1203 159 A LEU CG 4 C4H1b 0.770 1.880 4.420 15.926 14.764 1.079 possible 1204 159 A LEU CD1 10 C4H3u 0.770 1.880 5.798 79.114 37.425 2.114 possible 1205 159 A LEU CD2 10 C4H3u 0.770 1.880 5.061 46.033 37.143 1.239 possible 1206 160 A GLY N 12 N3H1s 0.700 1.640 2.492 13.464 14.854 0.906 [OK] 1207 160 A GLY CA 8 C4H2s 0.770 1.880 4.068 42.324 23.688 1.787 possible 1208 160 A GLY C 2 C3H0b 0.770 1.610 3.301 11.097 9.840 1.128 possible 1209 160 A GLY O 16 O1H0u 0.660 1.420 2.972 15.528 16.391 0.947 [OK] 1210 161 A ALA N 12 N3H1s 0.700 1.640 3.234 14.722 14.046 1.048 possible 1211 161 A ALA CA 4 C4H1b 0.770 1.880 3.499 16.199 14.063 1.152 possible 1212 161 A ALA C 1 C3H0s 0.770 1.610 2.724 8.620 8.900 0.969 [OK] 1213 161 A ALA O 16 O1H0u 0.660 1.420 2.570 15.658 16.188 0.967 [OK] 1214 161 A ALA CB 10 C4H3u 0.770 1.880 3.089 38.070 36.782 1.035 possible 1215 162 A ILE N 12 N3H1s 0.700 1.640 2.785 13.394 13.633 0.982 [OK] 1216 162 A ILE CA 3 C4H1s 0.770 1.880 3.049 15.193 13.007 1.168 possible 1217 162 A ILE C 1 C3H0s 0.770 1.610 2.349 7.816 8.470 0.923 [OK] 1218 162 A ILE O 16 O1H0u 0.660 1.420 2.295 15.767 16.144 0.977 [OK] 1219 162 A ILE CB 4 C4H1b 0.770 1.880 2.734 13.457 14.227 0.946 [OK] 1220 162 A ILE CG1 9 C4H2b 0.770 1.880 2.903 22.777 24.187 0.942 [OK] 1221 162 A ILE CG2 10 C4H3u 0.770 1.880 4.248 40.416 35.961 1.124 possible 1222 162 A ILE CD1 10 C4H3u 0.770 1.880 4.323 52.986 38.377 1.381 possible 1223 163 A ASN N 12 N3H1s 0.700 1.640 2.408 13.313 13.695 0.972 [OK] 1224 163 A ASN CA 3 C4H1s 0.770 1.880 2.838 13.630 13.167 1.035 [OK] 1225 163 A ASN C 1 C3H0s 0.770 1.610 2.118 8.227 8.928 0.921 [OK] 1226 163 A ASN O 16 O1H0u 0.660 1.420 2.443 15.293 16.199 0.944 [OK] 1227 163 A ASN CB 8 C4H2s 0.770 1.880 3.346 23.979 23.128 1.037 possible 1228 163 A ASN CG 2 C3H0b 0.770 1.610 2.610 9.709 9.599 1.011 [OK] 1229 163 A ASN OD1 16 O1H0u 0.660 1.420 2.472 16.686 16.664 1.001 [OK] 1230 163 A ASN ND2 15 N3H2u 0.700 1.640 3.172 26.442 23.083 1.146 possible 1231 164 A PHE N 12 N3H1s 0.700 1.640 2.684 13.605 13.691 0.994 [OK] 1232 164 A PHE CA 3 C4H1s 0.770 1.880 3.133 13.232 13.449 0.984 possible 1233 164 A PHE C 1 C3H0s 0.770 1.610 2.776 8.619 8.753 0.985 [OK] 1234 164 A PHE O 16 O1H0u 0.660 1.420 2.692 16.044 16.151 0.993 [OK] 1235 164 A PHE CB 8 C4H2s 0.770 1.880 3.072 25.845 23.777 1.087 possible 1236 164 A PHE CG 2 C3H0b 0.770 1.610 2.867 9.865 9.721 1.015 [OK] 1237 164 A PHE CD1 5 C3H1s 0.770 1.760 3.027 20.637 20.405 1.011 possible 1238 164 A PHE CD2 6 C3H1b 0.770 1.760 3.403 26.427 21.051 1.255 possible 1239 164 A PHE CE1 6 C3H1b 0.770 1.760 2.862 21.996 21.580 1.019 [OK] 1240 164 A PHE CE2 6 C3H1b 0.770 1.760 3.828 32.603 21.680 1.504 possible 1241 164 A PHE CZ 6 C3H1b 0.770 1.760 3.109 21.792 21.666 1.006 possible 1242 165 A ILE N 12 N3H1s 0.700 1.640 2.803 13.922 13.633 1.021 [OK] 1243 165 A ILE CA 3 C4H1s 0.770 1.880 2.947 14.683 13.007 1.129 [OK] 1244 165 A ILE C 1 C3H0s 0.770 1.610 2.725 8.105 8.470 0.957 [OK] 1245 165 A ILE O 16 O1H0u 0.660 1.420 2.983 16.546 16.144 1.025 [OK] 1246 165 A ILE CB 4 C4H1b 0.770 1.880 2.769 14.122 14.227 0.993 [OK] 1247 165 A ILE CG1 9 C4H2b 0.770 1.880 2.997 21.855 24.187 0.904 [OK] 1248 165 A ILE CG2 10 C4H3u 0.770 1.880 3.745 45.881 35.961 1.276 possible 1249 165 A ILE CD1 10 C4H3u 0.770 1.880 3.582 41.449 38.377 1.080 possible 1250 166 A THR N 12 N3H1s 0.700 1.640 2.894 13.771 13.832 0.996 [OK] 1251 166 A THR CA 3 C4H1s 0.770 1.880 3.476 16.422 13.099 1.254 possible 1252 166 A THR C 1 C3H0s 0.770 1.610 2.425 8.039 8.738 0.920 [OK] 1253 166 A THR O 16 O1H0u 0.660 1.420 2.696 16.669 16.020 1.041 [OK] 1254 166 A THR CB 4 C4H1b 0.770 1.880 2.877 14.362 14.829 0.969 [OK] 1255 166 A THR OG1 17 O2H1u 0.660 1.460 2.604 18.729 18.123 1.033 [OK] 1256 166 A THR CG2 10 C4H3u 0.770 1.880 3.186 33.133 36.542 0.907 possible 1257 167 A THR N 12 N3H1s 0.700 1.640 2.449 13.270 13.832 0.959 [OK] 1258 167 A THR CA 3 C4H1s 0.770 1.880 2.923 13.859 13.099 1.058 [OK] 1259 167 A THR C 1 C3H0s 0.770 1.610 2.291 7.345 8.738 0.841 [OK] 1260 167 A THR O 16 O1H0u 0.660 1.420 2.416 15.999 16.020 0.999 [OK] 1261 167 A THR CB 4 C4H1b 0.770 1.880 3.149 14.467 14.829 0.976 possible 1262 167 A THR OG1 17 O2H1u 0.660 1.460 2.292 16.146 18.123 0.891 [OK] 1263 167 A THR CG2 10 C4H3u 0.770 1.880 3.003 42.565 36.542 1.165 possible 1264 168 A ILE N 12 N3H1s 0.700 1.640 2.576 12.839 13.633 0.942 [OK] 1265 168 A ILE CA 3 C4H1s 0.770 1.880 2.928 13.500 13.007 1.038 [OK] 1266 168 A ILE C 1 C3H0s 0.770 1.610 2.423 8.221 8.470 0.971 [OK] 1267 168 A ILE O 16 O1H0u 0.660 1.420 2.665 18.004 16.144 1.115 [OK] 1268 168 A ILE CB 4 C4H1b 0.770 1.880 2.909 14.853 14.227 1.044 [OK] 1269 168 A ILE CG1 9 C4H2b 0.770 1.880 3.137 22.332 24.187 0.923 possible 1270 168 A ILE CG2 10 C4H3u 0.770 1.880 3.452 35.332 35.961 0.983 possible 1271 168 A ILE CD1 10 C4H3u 0.770 1.880 3.027 35.291 38.377 0.920 possible 1272 169 A ILE N 12 N3H1s 0.700 1.640 2.497 12.846 13.633 0.942 [OK] 1273 169 A ILE CA 3 C4H1s 0.770 1.880 2.942 13.611 13.007 1.046 [OK] 1274 169 A ILE C 1 C3H0s 0.770 1.610 2.608 9.135 8.470 1.078 [OK] 1275 169 A ILE O 16 O1H0u 0.660 1.420 6.668 54.424 16.144 3.371 possible 1276 169 A ILE CB 4 C4H1b 0.770 1.880 3.448 14.539 14.227 1.022 possible 1277 169 A ILE CG1 9 C4H2b 0.770 1.880 3.350 28.206 24.187 1.166 possible 1278 169 A ILE CG2 10 C4H3u 0.770 1.880 4.971 58.576 35.961 1.629 possible 1279 169 A ILE CD1 10 C4H3u 0.770 1.880 4.390 53.612 38.377 1.397 possible 1280 170 A ASN N 12 N3H1s 0.700 1.640 2.735 13.564 13.695 0.990 [OK] 1281 170 A ASN CA 3 C4H1s 0.770 1.880 3.761 16.084 13.167 1.222 possible 1282 170 A ASN C 1 C3H0s 0.770 1.610 3.215 10.068 8.928 1.128 possible 1283 170 A ASN O 16 O1H0u 0.660 1.420 4.346 34.174 16.199 2.110 possible 1284 170 A ASN CB 8 C4H2s 0.770 1.880 3.143 24.333 23.128 1.052 possible 1285 170 A ASN CG 2 C3H0b 0.770 1.610 2.496 9.185 9.599 0.957 [OK] 1286 170 A ASN OD1 16 O1H0u 0.660 1.420 3.821 25.413 16.664 1.525 possible 1287 170 A ASN ND2 15 N3H2u 0.700 1.640 3.660 31.933 23.083 1.383 possible 1288 171 A MET N 12 N3H1s 0.700 1.640 2.702 14.167 13.564 1.044 [OK] 1289 171 A MET CA 3 C4H1s 0.770 1.880 2.819 13.036 13.231 0.985 [OK] 1290 171 A MET C 1 C3H0s 0.770 1.610 2.980 10.852 8.782 1.236 [OK] 1291 171 A MET O 16 O1H0u 0.660 1.420 3.659 25.996 16.277 1.597 possible 1292 171 A MET CB 8 C4H2s 0.770 1.880 3.085 23.786 23.645 1.006 possible 1293 171 A MET CG 9 C4H2b 0.770 1.880 3.171 24.043 24.009 1.001 possible 1294 171 A MET SD 19 S2H0u 1.040 1.770 3.704 33.355 30.093 1.108 possible 1295 171 A MET CE 10 C4H3u 0.770 1.880 3.822 42.572 37.161 1.146 possible 1296 172 A LYS N 12 N3H1s 0.700 1.640 3.641 18.009 13.675 1.317 possible 1297 172 A LYS CA 3 C4H1s 0.770 1.880 2.645 13.498 13.324 1.013 [OK] 1298 172 A LYS C 1 C3H0s 0.770 1.610 3.839 10.223 8.759 1.167 possible 1299 172 A LYS O 16 O1H0u 0.660 1.420 4.357 38.576 16.049 2.404 possible 1300 172 A LYS CB 8 C4H2s 0.770 1.880 3.784 24.268 22.904 1.060 possible 1301 172 A LYS CG 8 C4H2s 0.770 1.880 3.109 25.161 23.131 1.088 possible 1302 172 A LYS CD 8 C4H2s 0.770 1.880 3.152 23.709 23.837 0.995 possible 1303 172 A LYS CE 9 C4H2b 0.770 1.880 3.767 25.255 23.934 1.055 possible 1304 172 A LYS NZ 14 N4H3u 0.700 1.640 7.147 64.831 21.213 3.056 possible 1305 173 A PRO N 11 N3H0u 0.700 1.640 3.981 10.270 8.823 1.164 possible 1306 173 A PRO CA 4 C4H1b 0.770 1.880 4.334 21.441 13.955 1.536 possible 1307 173 A PRO C 1 C3H0s 0.770 1.610 2.528 8.032 8.812 0.912 [OK] 1308 173 A PRO O 16 O1H0u 0.660 1.420 3.657 17.959 16.169 1.111 possible 1309 173 A PRO CB 9 C4H2b 0.770 1.880 3.648 33.014 25.563 1.291 possible 1310 173 A PRO CG 9 C4H2b 0.770 1.880 3.779 32.133 25.832 1.244 possible 1311 173 A PRO CD 8 C4H2s 0.770 1.880 3.455 23.651 23.836 0.992 possible 1312 174 A PRO N 11 N3H0u 0.700 1.640 2.972 9.496 8.823 1.076 [OK] 1313 174 A PRO CA 4 C4H1b 0.770 1.880 5.256 33.704 13.955 2.415 possible 1314 174 A PRO C 1 C3H0s 0.770 1.610 2.561 8.429 8.812 0.956 [OK] 1315 174 A PRO O 16 O1H0u 0.660 1.420 27.263 -1.000 16.169 -1.000 bad 1316 174 A PRO CB 9 C4H2b 0.770 1.880 5.558 39.160 25.563 1.532 possible 1317 174 A PRO CG 9 C4H2b 0.770 1.880 4.448 39.491 25.832 1.529 possible 1318 174 A PRO CD 8 C4H2s 0.770 1.880 4.236 50.851 23.836 2.133 possible 1319 175 A ALA N 12 N3H1s 0.700 1.640 3.258 16.595 14.046 1.181 possible 1320 175 A ALA CA 4 C4H1b 0.770 1.880 3.511 15.483 14.063 1.101 possible 1321 175 A ALA C 1 C3H0s 0.770 1.610 3.243 10.590 8.900 1.190 possible 1322 175 A ALA O 16 O1H0u 0.660 1.420 4.679 40.440 16.188 2.498 possible 1323 175 A ALA CB 10 C4H3u 0.770 1.880 3.199 36.796 36.782 1.000 possible 1324 176 A MET N 12 N3H1s 0.700 1.640 2.730 15.325 13.564 1.130 [OK] 1325 176 A MET CA 3 C4H1s 0.770 1.880 2.978 14.560 13.231 1.100 [OK] 1326 176 A MET C 1 C3H0s 0.770 1.610 3.269 9.242 8.782 1.052 possible 1327 176 A MET O 16 O1H0u 0.660 1.420 6.163 38.392 16.277 2.359 possible 1328 176 A MET CB 8 C4H2s 0.770 1.880 3.218 25.417 23.645 1.075 possible 1329 176 A MET CG 9 C4H2b 0.770 1.880 3.222 24.509 24.009 1.021 possible 1330 176 A MET SD 19 S2H0u 1.040 1.770 3.091 31.406 30.093 1.044 possible 1331 176 A MET CE 10 C4H3u 0.770 1.880 3.711 45.363 37.161 1.221 possible 1332 177 A SER N 12 N3H1s 0.700 1.640 3.780 15.276 14.103 1.083 possible 1333 177 A SER CA 3 C4H1s 0.770 1.880 7.442 34.002 13.476 2.523 possible 1334 177 A SER C 1 C3H0s 0.770 1.610 2.447 8.419 8.923 0.944 [OK] 1335 177 A SER O 16 O1H0u 0.660 1.420 2.227 15.271 16.179 0.944 [OK] 1336 177 A SER CB 8 C4H2s 0.770 1.880 36.991 -1.000 23.884 -1.000 bad 1337 177 A SER OG 17 O2H1u 0.660 1.460 4.283 31.961 18.732 1.706 possible 1338 178 A GLN N 12 N3H1s 0.700 1.640 4.635 25.892 13.616 1.902 possible 1339 178 A GLN CA 3 C4H1s 0.770 1.880 2.560 13.097 13.334 0.982 [OK] 1340 178 A GLN C 1 C3H0s 0.770 1.610 2.348 8.219 8.787 0.935 [OK] 1341 178 A GLN O 16 O1H0u 0.660 1.420 2.394 15.078 15.993 0.943 [OK] 1342 178 A GLN CB 8 C4H2s 0.770 1.880 3.281 26.478 23.275 1.138 possible 1343 178 A GLN CG 8 C4H2s 0.770 1.880 3.256 27.107 23.465 1.155 possible 1344 178 A GLN CD 2 C3H0b 0.770 1.610 3.102 10.366 9.659 1.073 possible 1345 178 A GLN OE1 16 O1H0u 0.660 1.420 4.084 28.416 17.091 1.663 possible 1346 178 A GLN NE2 15 N3H2u 0.700 1.640 3.177 29.039 24.150 1.202 possible 1347 179 A TYR N 12 N3H1s 0.700 1.640 2.475 12.628 13.691 0.922 [OK] 1348 179 A TYR CA 3 C4H1s 0.770 1.880 2.995 14.055 13.330 1.054 [OK] 1349 179 A TYR C 1 C3H0s 0.770 1.610 2.748 9.642 8.770 1.099 [OK] 1350 179 A TYR O 16 O1H0u 0.660 1.420 3.022 21.131 16.124 1.311 possible 1351 179 A TYR CB 8 C4H2s 0.770 1.880 3.180 24.011 23.678 1.014 possible 1352 179 A TYR CG 2 C3H0b 0.770 1.610 2.579 10.011 9.732 1.029 [OK] 1353 179 A TYR CD1 5 C3H1s 0.770 1.760 2.939 21.822 20.171 1.082 [OK] 1354 179 A TYR CD2 5 C3H1s 0.770 1.760 4.219 29.257 20.728 1.411 possible 1355 179 A TYR CE1 5 C3H1s 0.770 1.760 3.235 25.619 20.675 1.239 possible 1356 179 A TYR CE2 5 C3H1s 0.770 1.760 4.401 33.872 20.810 1.628 possible 1357 179 A TYR CZ 2 C3H0b 0.770 1.610 2.901 11.633 9.926 1.172 [OK] 1358 179 A TYR OH 17 O2H1u 0.660 1.460 2.903 21.741 19.173 1.134 [OK] 1359 180 A GLN N 12 N3H1s 0.700 1.640 2.324 12.221 13.616 0.898 [OK] 1360 180 A GLN CA 3 C4H1s 0.770 1.880 2.841 12.808 13.334 0.961 [OK] 1361 180 A GLN C 1 C3H0s 0.770 1.610 2.730 10.654 8.787 1.213 [OK] 1362 180 A GLN O 16 O1H0u 0.660 1.420 3.404 26.710 15.993 1.670 possible 1363 180 A GLN CB 8 C4H2s 0.770 1.880 3.002 21.079 23.275 0.906 possible 1364 180 A GLN CG 8 C4H2s 0.770 1.880 3.189 24.771 23.465 1.056 possible 1365 180 A GLN CD 2 C3H0b 0.770 1.610 2.963 10.761 9.659 1.114 [OK] 1366 180 A GLN OE1 16 O1H0u 0.660 1.420 3.922 20.577 17.091 1.204 possible 1367 180 A GLN NE2 15 N3H2u 0.700 1.640 4.576 43.597 24.150 1.805 possible 1368 181 A THR N 12 N3H1s 0.700 1.640 2.442 13.229 13.832 0.956 [OK] 1369 181 A THR CA 3 C4H1s 0.770 1.880 3.074 13.298 13.099 1.015 possible 1370 181 A THR C 1 C3H0s 0.770 1.610 3.162 9.532 8.738 1.091 possible 1371 181 A THR O 16 O1H0u 0.660 1.420 3.085 17.422 16.020 1.088 possible 1372 181 A THR CB 4 C4H1b 0.770 1.880 2.821 15.401 14.829 1.039 [OK] 1373 181 A THR OG1 17 O2H1u 0.660 1.460 3.003 22.869 18.123 1.262 possible 1374 181 A THR CG2 10 C4H3u 0.770 1.880 3.152 35.591 36.542 0.974 possible 1375 182 A PRO N 11 N3H0u 0.700 1.640 3.549 10.985 8.823 1.245 possible 1376 182 A PRO CA 4 C4H1b 0.770 1.880 4.095 25.693 13.955 1.841 possible 1377 182 A PRO C 1 C3H0s 0.770 1.610 2.574 8.928 8.812 1.013 [OK] 1378 182 A PRO O 16 O1H0u 0.660 1.420 2.394 15.887 16.169 0.983 [OK] 1379 182 A PRO CB 9 C4H2b 0.770 1.880 4.494 34.523 25.563 1.351 possible 1380 182 A PRO CG 9 C4H2b 0.770 1.880 4.067 57.649 25.832 2.232 possible 1381 182 A PRO CD 8 C4H2s 0.770 1.880 3.710 30.307 23.836 1.271 possible 1382 183 A LEU N 12 N3H1s 0.700 1.640 3.637 20.638 13.655 1.511 possible 1383 183 A LEU CA 3 C4H1s 0.770 1.880 2.643 12.382 13.122 0.944 [OK] 1384 183 A LEU C 1 C3H0s 0.770 1.610 2.532 8.494 8.825 0.962 [OK] 1385 183 A LEU O 16 O1H0u 0.660 1.420 2.689 15.825 16.208 0.976 [OK] 1386 183 A LEU CB 8 C4H2s 0.770 1.880 3.608 30.278 22.951 1.319 possible 1387 183 A LEU CG 4 C4H1b 0.770 1.880 3.687 16.714 14.764 1.132 possible 1388 183 A LEU CD1 10 C4H3u 0.770 1.880 3.606 37.937 37.425 1.014 possible 1389 183 A LEU CD2 10 C4H3u 0.770 1.880 3.265 39.018 37.143 1.050 possible 1390 184 A PHE N 12 N3H1s 0.700 1.640 2.619 14.520 13.691 1.061 [OK] 1391 184 A PHE CA 3 C4H1s 0.770 1.880 2.573 12.814 13.449 0.953 [OK] 1392 184 A PHE C 1 C3H0s 0.770 1.610 2.279 7.706 8.753 0.880 [OK] 1393 184 A PHE O 16 O1H0u 0.660 1.420 2.321 12.897 16.151 0.799 [OK] 1394 184 A PHE CB 8 C4H2s 0.770 1.880 3.168 25.211 23.777 1.060 possible 1395 184 A PHE CG 2 C3H0b 0.770 1.610 2.883 10.934 9.721 1.125 [OK] 1396 184 A PHE CD1 5 C3H1s 0.770 1.760 3.005 21.114 20.405 1.035 possible 1397 184 A PHE CD2 6 C3H1b 0.770 1.760 2.960 22.714 21.051 1.079 [OK] 1398 184 A PHE CE1 6 C3H1b 0.770 1.760 2.992 24.881 21.580 1.153 [OK] 1399 184 A PHE CE2 6 C3H1b 0.770 1.760 2.772 20.801 21.680 0.959 [OK] 1400 184 A PHE CZ 6 C3H1b 0.770 1.760 3.136 23.378 21.666 1.079 possible 1401 185 A VAL N 12 N3H1s 0.700 1.640 2.653 13.798 13.676 1.009 [OK] 1402 185 A VAL CA 3 C4H1s 0.770 1.880 2.810 14.220 13.123 1.084 [OK] 1403 185 A VAL C 1 C3H0s 0.770 1.610 2.889 8.044 8.563 0.939 [OK] 1404 185 A VAL O 16 O1H0u 0.660 1.420 2.785 15.870 16.181 0.981 [OK] 1405 185 A VAL CB 4 C4H1b 0.770 1.880 2.827 14.495 14.598 0.993 [OK] 1406 185 A VAL CG1 10 C4H3u 0.770 1.880 3.470 37.101 36.584 1.014 possible 1407 185 A VAL CG2 10 C4H3u 0.770 1.880 2.973 36.716 36.332 1.011 [OK] 1408 186 A TRP N 12 N3H1s 0.700 1.640 3.181 14.798 13.791 1.073 possible 1409 186 A TRP CA 3 C4H1s 0.770 1.880 3.596 16.540 13.377 1.236 possible 1410 186 A TRP C 1 C3H0s 0.770 1.610 2.652 8.845 8.724 1.014 [OK] 1411 186 A TRP O 16 O1H0u 0.660 1.420 2.417 15.287 15.951 0.958 [OK] 1412 186 A TRP CB 8 C4H2s 0.770 1.880 3.253 27.657 24.004 1.152 possible 1413 186 A TRP CG 2 C3H0b 0.770 1.610 3.161 11.502 9.965 1.154 possible 1414 186 A TRP CD1 5 C3H1s 0.770 1.760 2.736 21.998 20.874 1.054 [OK] 1415 186 A TRP CD2 2 C3H0b 0.770 1.610 3.263 12.130 10.097 1.201 possible 1416 186 A TRP NE1 13 N3H1b 0.700 1.640 2.824 15.796 16.969 0.931 [OK] 1417 186 A TRP CE2 2 C3H0b 0.770 1.610 2.907 10.414 9.889 1.053 [OK] 1418 186 A TRP CE3 6 C3H1b 0.770 1.760 3.070 22.305 20.448 1.091 possible 1419 186 A TRP CZ2 6 C3H1b 0.770 1.760 2.801 19.465 21.012 0.926 [OK] 1420 186 A TRP CZ3 6 C3H1b 0.770 1.760 3.084 24.603 21.516 1.143 possible 1421 186 A TRP CH2 6 C3H1b 0.770 1.760 3.259 26.412 21.339 1.238 possible 1422 187 A SER N 12 N3H1s 0.700 1.640 2.563 12.687 14.103 0.900 [OK] 1423 187 A SER CA 3 C4H1s 0.770 1.880 3.168 14.999 13.476 1.113 possible 1424 187 A SER C 1 C3H0s 0.770 1.610 2.570 7.984 8.923 0.895 [OK] 1425 187 A SER O 16 O1H0u 0.660 1.420 2.724 17.897 16.179 1.106 [OK] 1426 187 A SER CB 8 C4H2s 0.770 1.880 2.886 21.043 23.884 0.881 [OK] 1427 187 A SER OG 17 O2H1u 0.660 1.460 2.475 18.379 18.732 0.981 [OK] 1428 188 A VAL N 12 N3H1s 0.700 1.640 2.663 12.105 13.676 0.885 [OK] 1429 188 A VAL CA 3 C4H1s 0.770 1.880 2.961 13.900 13.123 1.059 [OK] 1430 188 A VAL C 1 C3H0s 0.770 1.610 2.394 8.016 8.563 0.936 [OK] 1431 188 A VAL O 16 O1H0u 0.660 1.420 2.998 18.104 16.181 1.119 [OK] 1432 188 A VAL CB 4 C4H1b 0.770 1.880 3.407 21.581 14.598 1.478 possible 1433 188 A VAL CG1 10 C4H3u 0.770 1.880 3.413 36.022 36.584 0.985 possible 1434 188 A VAL CG2 10 C4H3u 0.770 1.880 3.446 37.614 36.332 1.035 possible 1435 189 A MET N 12 N3H1s 0.700 1.640 2.350 12.192 13.564 0.899 [OK] 1436 189 A MET CA 3 C4H1s 0.770 1.880 3.100 14.867 13.231 1.124 possible 1437 189 A MET C 1 C3H0s 0.770 1.610 2.768 7.863 8.782 0.895 [OK] 1438 189 A MET O 16 O1H0u 0.660 1.420 2.623 15.120 16.277 0.929 [OK] 1439 189 A MET CB 8 C4H2s 0.770 1.880 3.133 22.862 23.645 0.967 possible 1440 189 A MET CG 9 C4H2b 0.770 1.880 3.065 26.594 24.009 1.108 possible 1441 189 A MET SD 19 S2H0u 1.040 1.770 3.273 30.589 30.093 1.016 possible 1442 189 A MET CE 10 C4H3u 0.770 1.880 3.457 40.597 37.161 1.092 possible 1443 190 A ILE N 12 N3H1s 0.700 1.640 2.860 13.549 13.633 0.994 [OK] 1444 190 A ILE CA 3 C4H1s 0.770 1.880 3.023 12.644 13.007 0.972 possible 1445 190 A ILE C 1 C3H0s 0.770 1.610 2.471 7.885 8.470 0.931 [OK] 1446 190 A ILE O 16 O1H0u 0.660 1.420 2.370 14.351 16.144 0.889 [OK] 1447 190 A ILE CB 4 C4H1b 0.770 1.880 3.168 15.818 14.227 1.112 possible 1448 190 A ILE CG1 9 C4H2b 0.770 1.880 3.062 24.490 24.187 1.013 possible 1449 190 A ILE CG2 10 C4H3u 0.770 1.880 3.035 36.712 35.961 1.021 possible 1450 190 A ILE CD1 10 C4H3u 0.770 1.880 3.254 41.717 38.377 1.087 possible 1451 191 A THR N 12 N3H1s 0.700 1.640 2.543 14.052 13.832 1.016 [OK] 1452 191 A THR CA 3 C4H1s 0.770 1.880 2.946 15.347 13.099 1.172 [OK] 1453 191 A THR C 1 C3H0s 0.770 1.610 2.364 7.221 8.738 0.826 [OK] 1454 191 A THR O 16 O1H0u 0.660 1.420 2.204 14.031 16.020 0.876 [OK] 1455 191 A THR CB 4 C4H1b 0.770 1.880 3.256 14.723 14.829 0.993 possible 1456 191 A THR OG1 17 O2H1u 0.660 1.460 2.547 18.337 18.123 1.012 [OK] 1457 191 A THR CG2 10 C4H3u 0.770 1.880 3.564 37.633 36.542 1.030 possible 1458 192 A ALA N 12 N3H1s 0.700 1.640 3.254 14.088 14.046 1.003 possible 1459 192 A ALA CA 4 C4H1b 0.770 1.880 3.455 15.474 14.063 1.100 possible 1460 192 A ALA C 1 C3H0s 0.770 1.610 2.126 7.995 8.900 0.898 [OK] 1461 192 A ALA O 16 O1H0u 0.660 1.420 2.443 15.300 16.188 0.945 [OK] 1462 192 A ALA CB 10 C4H3u 0.770 1.880 3.519 37.930 36.782 1.031 possible 1463 193 A VAL N 12 N3H1s 0.700 1.640 2.309 11.880 13.676 0.869 [OK] 1464 193 A VAL CA 3 C4H1s 0.770 1.880 3.042 13.633 13.123 1.039 possible 1465 193 A VAL C 1 C3H0s 0.770 1.610 2.615 8.073 8.563 0.943 [OK] 1466 193 A VAL O 16 O1H0u 0.660 1.420 2.647 16.222 16.181 1.003 [OK] 1467 193 A VAL CB 4 C4H1b 0.770 1.880 2.770 13.613 14.598 0.933 [OK] 1468 193 A VAL CG1 10 C4H3u 0.770 1.880 5.355 58.219 36.584 1.591 possible 1469 193 A VAL CG2 10 C4H3u 0.770 1.880 4.420 46.842 36.332 1.289 possible 1470 194 A LEU N 12 N3H1s 0.700 1.640 2.569 11.915 13.655 0.873 [OK] 1471 194 A LEU CA 3 C4H1s 0.770 1.880 2.920 13.611 13.122 1.037 [OK] 1472 194 A LEU C 1 C3H0s 0.770 1.610 2.206 8.063 8.825 0.914 [OK] 1473 194 A LEU O 16 O1H0u 0.660 1.420 2.397 15.736 16.208 0.971 [OK] 1474 194 A LEU CB 8 C4H2s 0.770 1.880 2.843 20.602 22.951 0.898 [OK] 1475 194 A LEU CG 4 C4H1b 0.770 1.880 3.429 16.062 14.764 1.088 possible 1476 194 A LEU CD1 10 C4H3u 0.770 1.880 2.920 36.459 37.425 0.974 [OK] 1477 194 A LEU CD2 10 C4H3u 0.770 1.880 3.466 43.074 37.143 1.160 possible 1478 195 A LEU N 12 N3H1s 0.700 1.640 2.287 12.316 13.655 0.902 [OK] 1479 195 A LEU CA 3 C4H1s 0.770 1.880 2.975 13.637 13.122 1.039 [OK] 1480 195 A LEU C 1 C3H0s 0.770 1.610 2.758 8.466 8.825 0.959 [OK] 1481 195 A LEU O 16 O1H0u 0.660 1.420 2.581 17.608 16.208 1.086 [OK] 1482 195 A LEU CB 8 C4H2s 0.770 1.880 3.022 23.609 22.951 1.029 possible 1483 195 A LEU CG 4 C4H1b 0.770 1.880 2.595 13.639 14.764 0.924 [OK] 1484 195 A LEU CD1 10 C4H3u 0.770 1.880 3.557 48.496 37.425 1.296 possible 1485 195 A LEU CD2 10 C4H3u 0.770 1.880 3.165 32.220 37.143 0.867 possible 1486 196 A LEU N 12 N3H1s 0.700 1.640 2.781 13.378 13.655 0.980 [OK] 1487 196 A LEU CA 3 C4H1s 0.770 1.880 2.970 15.752 13.122 1.200 [OK] 1488 196 A LEU C 1 C3H0s 0.770 1.610 2.324 8.417 8.825 0.954 [OK] 1489 196 A LEU O 16 O1H0u 0.660 1.420 2.586 18.861 16.208 1.164 [OK] 1490 196 A LEU CB 8 C4H2s 0.770 1.880 2.879 21.962 22.951 0.957 [OK] 1491 196 A LEU CG 4 C4H1b 0.770 1.880 2.889 14.933 14.764 1.011 [OK] 1492 196 A LEU CD1 10 C4H3u 0.770 1.880 3.049 40.781 37.425 1.090 possible 1493 196 A LEU CD2 10 C4H3u 0.770 1.880 4.241 48.063 37.143 1.294 possible 1494 197 A LEU N 12 N3H1s 0.700 1.640 2.327 12.748 13.655 0.934 [OK] 1495 197 A LEU CA 3 C4H1s 0.770 1.880 2.867 13.017 13.122 0.992 [OK] 1496 197 A LEU C 1 C3H0s 0.770 1.610 2.402 8.638 8.825 0.979 [OK] 1497 197 A LEU O 16 O1H0u 0.660 1.420 2.601 19.064 16.208 1.176 [OK] 1498 197 A LEU CB 8 C4H2s 0.770 1.880 3.385 23.275 22.951 1.014 possible 1499 197 A LEU CG 4 C4H1b 0.770 1.880 3.223 14.808 14.764 1.003 possible 1500 197 A LEU CD1 10 C4H3u 0.770 1.880 6.001 57.802 37.425 1.544 possible 1501 197 A LEU CD2 10 C4H3u 0.770 1.880 5.930 53.385 37.143 1.437 possible 1502 198 A SER N 12 N3H1s 0.700 1.640 2.261 13.428 14.103 0.952 [OK] 1503 198 A SER CA 3 C4H1s 0.770 1.880 3.094 15.639 13.476 1.161 possible 1504 198 A SER C 1 C3H0s 0.770 1.610 2.344 8.310 8.923 0.931 [OK] 1505 198 A SER O 16 O1H0u 0.660 1.420 2.650 16.865 16.179 1.042 [OK] 1506 198 A SER CB 8 C4H2s 0.770 1.880 3.107 24.313 23.884 1.018 possible 1507 198 A SER OG 17 O2H1u 0.660 1.460 2.711 21.902 18.732 1.169 [OK] 1508 199 A LEU N 12 N3H1s 0.700 1.640 2.624 12.864 13.655 0.942 [OK] 1509 199 A LEU CA 3 C4H1s 0.770 1.880 2.538 11.510 13.122 0.877 [OK] 1510 199 A LEU C 1 C3H0s 0.770 1.610 2.475 8.346 8.825 0.946 [OK] 1511 199 A LEU O 16 O1H0u 0.660 1.420 3.181 20.215 16.208 1.247 possible 1512 199 A LEU CB 8 C4H2s 0.770 1.880 3.276 21.147 22.951 0.921 possible 1513 199 A LEU CG 4 C4H1b 0.770 1.880 3.469 16.183 14.764 1.096 possible 1514 199 A LEU CD1 10 C4H3u 0.770 1.880 3.571 41.786 37.425 1.117 possible 1515 199 A LEU CD2 10 C4H3u 0.770 1.880 3.737 38.047 37.143 1.024 possible 1516 200 A PRO N 11 N3H0u 0.700 1.640 2.541 8.288 8.823 0.939 [OK] 1517 200 A PRO CA 4 C4H1b 0.770 1.880 3.978 18.308 13.955 1.312 possible 1518 200 A PRO C 1 C3H0s 0.770 1.610 2.509 8.706 8.812 0.988 [OK] 1519 200 A PRO O 16 O1H0u 0.660 1.420 2.647 16.176 16.169 1.000 [OK] 1520 200 A PRO CB 9 C4H2b 0.770 1.880 4.103 26.439 25.563 1.034 possible 1521 200 A PRO CG 9 C4H2b 0.770 1.880 3.743 25.534 25.832 0.988 possible 1522 200 A PRO CD 8 C4H2s 0.770 1.880 2.840 22.299 23.836 0.936 [OK] 1523 201 A VAL N 12 N3H1s 0.700 1.640 2.683 14.356 13.676 1.050 [OK] 1524 201 A VAL CA 3 C4H1s 0.770 1.880 3.057 14.553 13.123 1.109 possible 1525 201 A VAL C 1 C3H0s 0.770 1.610 2.638 8.404 8.563 0.981 [OK] 1526 201 A VAL O 16 O1H0u 0.660 1.420 2.880 17.967 16.181 1.110 [OK] 1527 201 A VAL CB 4 C4H1b 0.770 1.880 3.115 16.691 14.598 1.143 possible 1528 201 A VAL CG1 10 C4H3u 0.770 1.880 3.268 39.934 36.584 1.092 possible 1529 201 A VAL CG2 10 C4H3u 0.770 1.880 3.411 43.743 36.332 1.204 possible 1530 202 A LEU N 12 N3H1s 0.700 1.640 2.727 14.695 13.655 1.076 [OK] 1531 202 A LEU CA 3 C4H1s 0.770 1.880 3.412 17.117 13.122 1.304 possible 1532 202 A LEU C 1 C3H0s 0.770 1.610 2.419 7.512 8.825 0.851 [OK] 1533 202 A LEU O 16 O1H0u 0.660 1.420 2.957 15.096 16.208 0.931 [OK] 1534 202 A LEU CB 8 C4H2s 0.770 1.880 2.907 21.288 22.951 0.928 [OK] 1535 202 A LEU CG 4 C4H1b 0.770 1.880 3.132 14.820 14.764 1.004 possible 1536 202 A LEU CD1 10 C4H3u 0.770 1.880 3.614 42.635 37.425 1.139 possible 1537 202 A LEU CD2 10 C4H3u 0.770 1.880 3.732 54.016 37.143 1.454 possible 1538 203 A ALA N 12 N3H1s 0.700 1.640 3.341 14.718 14.046 1.048 possible 1539 203 A ALA CA 4 C4H1b 0.770 1.880 3.781 15.791 14.063 1.123 possible 1540 203 A ALA C 1 C3H0s 0.770 1.610 2.215 8.148 8.900 0.915 [OK] 1541 203 A ALA O 16 O1H0u 0.660 1.420 2.885 15.720 16.188 0.971 [OK] 1542 203 A ALA CB 10 C4H3u 0.770 1.880 4.803 68.585 36.782 1.865 possible 1543 204 A ALA N 12 N3H1s 0.700 1.640 2.249 12.623 14.046 0.899 [OK] 1544 204 A ALA CA 4 C4H1b 0.770 1.880 2.858 14.403 14.063 1.024 [OK] 1545 204 A ALA C 1 C3H0s 0.770 1.610 2.445 8.771 8.900 0.985 [OK] 1546 204 A ALA O 16 O1H0u 0.660 1.420 2.394 14.966 16.188 0.924 [OK] 1547 204 A ALA CB 10 C4H3u 0.770 1.880 3.147 37.831 36.782 1.029 possible 1548 205 A GLY N 12 N3H1s 0.700 1.640 2.861 14.516 14.854 0.977 [OK] 1549 205 A GLY CA 8 C4H2s 0.770 1.880 3.594 31.430 23.688 1.327 possible 1550 205 A GLY C 2 C3H0b 0.770 1.610 3.237 9.935 9.840 1.010 possible 1551 205 A GLY O 16 O1H0u 0.660 1.420 2.502 16.321 16.391 0.996 [OK] 1552 206 A ILE N 12 N3H1s 0.700 1.640 3.321 13.572 13.633 0.996 possible 1553 206 A ILE CA 3 C4H1s 0.770 1.880 2.861 12.968 13.007 0.997 [OK] 1554 206 A ILE C 1 C3H0s 0.770 1.610 2.487 8.267 8.470 0.976 [OK] 1555 206 A ILE O 16 O1H0u 0.660 1.420 2.552 15.228 16.144 0.943 [OK] 1556 206 A ILE CB 4 C4H1b 0.770 1.880 2.928 14.762 14.227 1.038 [OK] 1557 206 A ILE CG1 9 C4H2b 0.770 1.880 2.736 21.964 24.187 0.908 [OK] 1558 206 A ILE CG2 10 C4H3u 0.770 1.880 3.558 45.428 35.961 1.263 possible 1559 206 A ILE CD1 10 C4H3u 0.770 1.880 3.598 39.478 38.377 1.029 possible 1560 207 A THR N 12 N3H1s 0.700 1.640 2.468 12.579 13.832 0.909 [OK] 1561 207 A THR CA 3 C4H1s 0.770 1.880 2.964 14.677 13.099 1.120 [OK] 1562 207 A THR C 1 C3H0s 0.770 1.610 3.038 8.328 8.738 0.953 possible 1563 207 A THR O 16 O1H0u 0.660 1.420 3.101 15.891 16.020 0.992 possible 1564 207 A THR CB 4 C4H1b 0.770 1.880 2.894 15.044 14.829 1.014 [OK] 1565 207 A THR OG1 17 O2H1u 0.660 1.460 4.252 26.594 18.123 1.467 possible 1566 207 A THR CG2 10 C4H3u 0.770 1.880 4.925 61.298 36.542 1.677 possible 1567 208 A MET N 12 N3H1s 0.700 1.640 3.181 13.060 13.564 0.963 possible 1568 208 A MET CA 3 C4H1s 0.770 1.880 3.600 14.768 13.231 1.116 possible 1569 208 A MET C 1 C3H0s 0.770 1.610 2.477 8.426 8.782 0.960 [OK] 1570 208 A MET O 16 O1H0u 0.660 1.420 2.405 15.714 16.277 0.965 [OK] 1571 208 A MET CB 8 C4H2s 0.770 1.880 2.714 20.742 23.645 0.877 [OK] 1572 208 A MET CG 9 C4H2b 0.770 1.880 3.492 23.790 24.009 0.991 possible 1573 208 A MET SD 19 S2H0u 1.040 1.770 2.766 28.654 30.093 0.952 [OK] 1574 208 A MET CE 10 C4H3u 0.770 1.880 3.109 32.796 37.161 0.883 possible 1575 209 A LEU N 12 N3H1s 0.700 1.640 2.315 12.556 13.655 0.920 [OK] 1576 209 A LEU CA 3 C4H1s 0.770 1.880 2.820 13.351 13.122 1.017 [OK] 1577 209 A LEU C 1 C3H0s 0.770 1.610 2.291 7.889 8.825 0.894 [OK] 1578 209 A LEU O 16 O1H0u 0.660 1.420 2.612 14.758 16.208 0.911 [OK] 1579 209 A LEU CB 8 C4H2s 0.770 1.880 2.854 23.106 22.951 1.007 [OK] 1580 209 A LEU CG 4 C4H1b 0.770 1.880 2.899 14.117 14.764 0.956 [OK] 1581 209 A LEU CD1 10 C4H3u 0.770 1.880 3.670 44.095 37.425 1.178 possible 1582 209 A LEU CD2 10 C4H3u 0.770 1.880 3.222 38.633 37.143 1.040 possible 1583 210 A LEU N 12 N3H1s 0.700 1.640 2.348 12.398 13.655 0.908 [OK] 1584 210 A LEU CA 3 C4H1s 0.770 1.880 2.793 14.431 13.122 1.100 [OK] 1585 210 A LEU C 1 C3H0s 0.770 1.610 2.698 8.423 8.825 0.954 [OK] 1586 210 A LEU O 16 O1H0u 0.660 1.420 3.041 17.769 16.208 1.096 possible 1587 210 A LEU CB 8 C4H2s 0.770 1.880 2.992 21.626 22.951 0.942 [OK] 1588 210 A LEU CG 4 C4H1b 0.770 1.880 3.527 16.091 14.764 1.090 possible 1589 210 A LEU CD1 10 C4H3u 0.770 1.880 3.143 39.467 37.425 1.055 possible 1590 210 A LEU CD2 10 C4H3u 0.770 1.880 5.444 74.591 37.143 2.008 possible 1591 211 A THR N 12 N3H1s 0.700 1.640 2.820 12.750 13.832 0.922 [OK] 1592 211 A THR CA 3 C4H1s 0.770 1.880 3.425 14.489 13.099 1.106 possible 1593 211 A THR C 1 C3H0s 0.770 1.610 2.125 7.969 8.738 0.912 [OK] 1594 211 A THR O 16 O1H0u 0.660 1.420 2.309 14.380 16.020 0.898 [OK] 1595 211 A THR CB 4 C4H1b 0.770 1.880 2.973 14.661 14.829 0.989 [OK] 1596 211 A THR OG1 17 O2H1u 0.660 1.460 3.126 19.085 18.123 1.053 possible 1597 211 A THR CG2 10 C4H3u 0.770 1.880 5.095 64.522 36.542 1.766 possible 1598 212 A ASP N 12 N3H1s 0.700 1.640 2.258 12.227 13.895 0.880 [OK] 1599 212 A ASP CA 3 C4H1s 0.770 1.880 2.674 12.736 13.377 0.952 [OK] 1600 212 A ASP C 1 C3H0s 0.770 1.610 3.174 8.926 8.816 1.012 possible 1601 212 A ASP O 16 O1H0u 0.660 1.420 3.813 31.046 16.091 1.929 possible 1602 212 A ASP CB 8 C4H2s 0.770 1.880 4.435 37.175 23.481 1.583 possible 1603 212 A ASP CG 2 C3H0b 0.770 1.610 3.113 10.738 9.422 1.140 possible 1604 212 A ASP OD1 16 O1H0u 0.660 1.420 2.495 14.011 15.505 0.904 [OK] 1605 212 A ASP OD2 16 O1H0u 0.660 1.420 3.726 25.011 16.324 1.532 possible 1606 213 A ARG N 12 N3H1s 0.700 1.640 3.059 13.243 13.650 0.970 possible 1607 213 A ARG CA 3 C4H1s 0.770 1.880 3.289 13.452 13.422 1.002 possible 1608 213 A ARG C 1 C3H0s 0.770 1.610 3.094 8.712 8.838 0.986 possible 1609 213 A ARG O 16 O1H0u 0.660 1.420 3.012 17.958 16.084 1.116 possible 1610 213 A ARG CB 8 C4H2s 0.770 1.880 2.943 20.557 23.088 0.890 [OK] 1611 213 A ARG CG 8 C4H2s 0.770 1.880 3.328 24.148 23.640 1.021 possible 1612 213 A ARG CD 8 C4H2s 0.770 1.880 2.832 23.049 23.300 0.989 [OK] 1613 213 A ARG NE 13 N3H1b 0.700 1.640 2.555 14.156 15.569 0.909 [OK] 1614 213 A ARG CZ 2 C3H0b 0.770 1.610 2.567 9.284 9.747 0.952 [OK] 1615 213 A ARG NH1 15 N3H2u 0.700 1.640 3.279 26.845 22.782 1.178 possible 1616 213 A ARG NH2 15 N3H2u 0.700 1.640 2.997 23.771 23.810 0.998 [OK] 1617 214 A ASN N 12 N3H1s 0.700 1.640 3.071 13.786 13.695 1.007 possible 1618 214 A ASN CA 3 C4H1s 0.770 1.880 3.219 14.626 13.167 1.111 possible 1619 214 A ASN C 1 C3H0s 0.770 1.610 3.006 9.951 8.928 1.115 possible 1620 214 A ASN O 16 O1H0u 0.660 1.420 2.833 28.621 16.199 1.767 [OK] 1621 214 A ASN CB 8 C4H2s 0.770 1.880 3.245 25.610 23.128 1.107 possible 1622 214 A ASN CG 2 C3H0b 0.770 1.610 2.353 8.515 9.599 0.887 [OK] 1623 214 A ASN OD1 16 O1H0u 0.660 1.420 2.939 20.715 16.664 1.243 [OK] 1624 214 A ASN ND2 15 N3H2u 0.700 1.640 2.765 23.503 23.083 1.018 [OK] 1625 215 A LEU N 12 N3H1s 0.700 1.640 2.838 12.485 13.655 0.914 [OK] 1626 215 A LEU CA 3 C4H1s 0.770 1.880 2.770 12.800 13.122 0.975 [OK] 1627 215 A LEU C 1 C3H0s 0.770 1.610 2.695 9.624 8.825 1.090 [OK] 1628 215 A LEU O 16 O1H0u 0.660 1.420 2.729 19.466 16.208 1.201 [OK] 1629 215 A LEU CB 8 C4H2s 0.770 1.880 3.002 23.512 22.951 1.024 possible 1630 215 A LEU CG 4 C4H1b 0.770 1.880 4.046 21.354 14.764 1.446 possible 1631 215 A LEU CD1 10 C4H3u 0.770 1.880 3.664 39.999 37.425 1.069 possible 1632 215 A LEU CD2 10 C4H3u 0.770 1.880 34.847 -1.000 37.143 -1.000 bad 1633 216 A ASN N 12 N3H1s 0.700 1.640 3.102 18.766 13.695 1.370 possible 1634 216 A ASN CA 3 C4H1s 0.770 1.880 3.223 16.767 13.167 1.273 possible 1635 216 A ASN C 1 C3H0s 0.770 1.610 2.892 9.780 8.928 1.095 [OK] 1636 216 A ASN O 16 O1H0u 0.660 1.420 2.794 20.950 16.199 1.293 [OK] 1637 216 A ASN CB 8 C4H2s 0.770 1.880 2.813 22.086 23.128 0.955 [OK] 1638 216 A ASN CG 2 C3H0b 0.770 1.610 2.812 9.137 9.599 0.952 [OK] 1639 216 A ASN OD1 16 O1H0u 0.660 1.420 2.857 17.211 16.664 1.033 [OK] 1640 216 A ASN ND2 15 N3H2u 0.700 1.640 3.004 26.439 23.083 1.145 possible 1641 217 A THR N 12 N3H1s 0.700 1.640 2.553 13.977 13.832 1.010 [OK] 1642 217 A THR CA 3 C4H1s 0.770 1.880 3.046 13.518 13.099 1.032 possible 1643 217 A THR C 1 C3H0s 0.770 1.610 2.715 8.704 8.738 0.996 [OK] 1644 217 A THR O 16 O1H0u 0.660 1.420 3.293 22.284 16.020 1.391 possible 1645 217 A THR CB 4 C4H1b 0.770 1.880 2.574 12.269 14.829 0.827 [OK] 1646 217 A THR OG1 17 O2H1u 0.660 1.460 2.259 14.070 18.123 0.776 [OK] 1647 217 A THR CG2 10 C4H3u 0.770 1.880 3.026 35.260 36.542 0.965 possible 1648 218 A THR N 12 N3H1s 0.700 1.640 2.965 13.112 13.832 0.948 [OK] 1649 218 A THR CA 3 C4H1s 0.770 1.880 2.955 13.402 13.099 1.023 [OK] 1650 218 A THR C 1 C3H0s 0.770 1.610 2.633 9.883 8.738 1.131 [OK] 1651 218 A THR O 16 O1H0u 0.660 1.420 2.395 16.235 16.020 1.013 [OK] 1652 218 A THR CB 4 C4H1b 0.770 1.880 2.705 13.393 14.829 0.903 [OK] 1653 218 A THR OG1 17 O2H1u 0.660 1.460 2.938 18.952 18.123 1.046 [OK] 1654 218 A THR CG2 10 C4H3u 0.770 1.880 3.265 39.033 36.542 1.068 possible 1655 219 A PHE N 12 N3H1s 0.700 1.640 2.660 13.634 13.691 0.996 [OK] 1656 219 A PHE CA 3 C4H1s 0.770 1.880 3.360 15.894 13.449 1.182 possible 1657 219 A PHE C 1 C3H0s 0.770 1.610 2.169 7.893 8.753 0.902 [OK] 1658 219 A PHE O 16 O1H0u 0.660 1.420 2.964 20.596 16.151 1.275 [OK] 1659 219 A PHE CB 8 C4H2s 0.770 1.880 3.004 24.616 23.777 1.035 possible 1660 219 A PHE CG 2 C3H0b 0.770 1.610 2.477 9.292 9.721 0.956 [OK] 1661 219 A PHE CD1 5 C3H1s 0.770 1.760 3.365 26.109 20.405 1.280 possible 1662 219 A PHE CD2 6 C3H1b 0.770 1.760 2.739 18.826 21.051 0.894 [OK] 1663 219 A PHE CE1 6 C3H1b 0.770 1.760 3.574 27.147 21.580 1.258 possible 1664 219 A PHE CE2 6 C3H1b 0.770 1.760 3.320 20.497 21.680 0.945 possible 1665 219 A PHE CZ 6 C3H1b 0.770 1.760 2.783 18.117 21.666 0.836 [OK] 1666 220 A PHE N 12 N3H1s 0.700 1.640 2.327 11.879 13.691 0.868 [OK] 1667 220 A PHE CA 3 C4H1s 0.770 1.880 2.399 12.336 13.449 0.917 [OK] 1668 220 A PHE C 1 C3H0s 0.770 1.610 3.922 11.472 8.753 1.311 possible 1669 220 A PHE O 16 O1H0u 0.660 1.420 3.663 22.518 16.151 1.394 possible 1670 220 A PHE CB 8 C4H2s 0.770 1.880 3.902 25.941 23.777 1.091 possible 1671 220 A PHE CG 2 C3H0b 0.770 1.610 2.556 9.142 9.721 0.940 [OK] 1672 220 A PHE CD1 5 C3H1s 0.770 1.760 2.669 18.187 20.405 0.891 [OK] 1673 220 A PHE CD2 6 C3H1b 0.770 1.760 3.095 22.969 21.051 1.091 possible 1674 220 A PHE CE1 6 C3H1b 0.770 1.760 2.744 18.477 21.580 0.856 [OK] 1675 220 A PHE CE2 6 C3H1b 0.770 1.760 2.826 19.299 21.680 0.890 [OK] 1676 220 A PHE CZ 6 C3H1b 0.770 1.760 3.005 22.063 21.666 1.018 possible 1677 221 A ASP N 12 N3H1s 0.700 1.640 3.668 16.042 13.895 1.155 possible 1678 221 A ASP CA 3 C4H1s 0.770 1.880 4.090 15.777 13.377 1.179 possible 1679 221 A ASP C 1 C3H0s 0.770 1.610 2.469 8.503 8.816 0.964 [OK] 1680 221 A ASP O 16 O1H0u 0.660 1.420 2.258 14.135 16.091 0.878 [OK] 1681 221 A ASP CB 8 C4H2s 0.770 1.880 4.330 32.641 23.481 1.390 possible 1682 221 A ASP CG 2 C3H0b 0.770 1.610 3.987 13.927 9.422 1.478 possible 1683 221 A ASP OD1 16 O1H0u 0.660 1.420 5.772 46.599 15.505 3.005 possible 1684 221 A ASP OD2 16 O1H0u 0.660 1.420 4.141 50.327 16.324 3.083 possible 1685 222 A PRO N 11 N3H0u 0.700 1.640 2.592 8.756 8.823 0.992 [OK] 1686 222 A PRO CA 4 C4H1b 0.770 1.880 3.224 14.965 13.955 1.072 possible 1687 222 A PRO C 1 C3H0s 0.770 1.610 3.283 9.251 8.812 1.050 possible 1688 222 A PRO O 16 O1H0u 0.660 1.420 3.325 21.289 16.169 1.317 possible 1689 222 A PRO CB 9 C4H2b 0.770 1.880 5.971 52.681 25.563 2.061 possible 1690 222 A PRO CG 9 C4H2b 0.770 1.880 4.070 28.724 25.832 1.112 possible 1691 222 A PRO CD 8 C4H2s 0.770 1.880 4.891 37.930 23.836 1.591 possible 1692 223 A ALA N 12 N3H1s 0.700 1.640 5.366 21.575 14.046 1.536 possible 1693 223 A ALA CA 4 C4H1b 0.770 1.880 5.218 22.847 14.063 1.625 possible 1694 223 A ALA C 1 C3H0s 0.770 1.610 2.308 8.358 8.900 0.939 [OK] 1695 223 A ALA O 16 O1H0u 0.660 1.420 3.198 23.510 16.188 1.452 possible 1696 223 A ALA CB 10 C4H3u 0.770 1.880 37.056 -1.000 36.782 -1.000 bad 1697 224 A GLY N 12 N3H1s 0.700 1.640 2.705 14.836 14.854 0.999 [OK] 1698 224 A GLY CA 8 C4H2s 0.770 1.880 2.717 23.549 23.688 0.994 [OK] 1699 224 A GLY C 2 C3H0b 0.770 1.610 2.675 10.605 9.840 1.078 [OK] 1700 224 A GLY O 16 O1H0u 0.660 1.420 2.771 17.134 16.391 1.045 [OK] 1701 225 A GLY N 12 N3H1s 0.700 1.640 2.828 14.295 14.854 0.962 [OK] 1702 225 A GLY CA 8 C4H2s 0.770 1.880 2.987 22.445 23.688 0.948 [OK] 1703 225 A GLY C 2 C3H0b 0.770 1.610 2.827 10.104 9.840 1.027 [OK] 1704 225 A GLY O 16 O1H0u 0.660 1.420 3.252 27.038 16.391 1.650 possible 1705 226 A GLY N 12 N3H1s 0.700 1.640 2.618 14.230 14.854 0.958 [OK] 1706 226 A GLY CA 8 C4H2s 0.770 1.880 3.341 23.240 23.688 0.981 possible 1707 226 A GLY C 2 C3H0b 0.770 1.610 3.126 10.593 9.840 1.077 possible 1708 226 A GLY O 16 O1H0u 0.660 1.420 3.754 23.804 16.391 1.452 possible 1709 227 A ASP N 12 N3H1s 0.700 1.640 3.300 16.634 13.895 1.197 possible 1710 227 A ASP CA 3 C4H1s 0.770 1.880 3.500 12.583 13.377 0.941 possible 1711 227 A ASP C 1 C3H0s 0.770 1.610 2.250 7.941 8.816 0.901 [OK] 1712 227 A ASP O 16 O1H0u 0.660 1.420 2.479 14.855 16.091 0.923 [OK] 1713 227 A ASP CB 8 C4H2s 0.770 1.880 3.736 32.095 23.481 1.367 possible 1714 227 A ASP CG 2 C3H0b 0.770 1.610 3.971 12.694 9.422 1.347 possible 1715 227 A ASP OD1 16 O1H0u 0.660 1.420 3.706 23.303 15.505 1.503 possible 1716 227 A ASP OD2 16 O1H0u 0.660 1.420 4.152 41.179 16.324 2.523 possible 1717 228 A PRO N 11 N3H0u 0.700 1.640 2.268 7.732 8.823 0.876 [OK] 1718 228 A PRO CA 4 C4H1b 0.770 1.880 2.867 15.290 13.955 1.096 [OK] 1719 228 A PRO C 1 C3H0s 0.770 1.610 2.794 8.772 8.812 0.995 [OK] 1720 228 A PRO O 16 O1H0u 0.660 1.420 2.823 21.062 16.169 1.303 [OK] 1721 228 A PRO CB 9 C4H2b 0.770 1.880 3.183 30.894 25.563 1.209 possible 1722 228 A PRO CG 9 C4H2b 0.770 1.880 3.088 28.575 25.832 1.106 possible 1723 228 A PRO CD 8 C4H2s 0.770 1.880 4.202 29.652 23.836 1.244 possible 1724 229 A ILE N 12 N3H1s 0.700 1.640 2.578 12.544 13.633 0.920 [OK] 1725 229 A ILE CA 3 C4H1s 0.770 1.880 2.709 12.381 13.007 0.952 [OK] 1726 229 A ILE C 1 C3H0s 0.770 1.610 2.715 8.583 8.470 1.013 [OK] 1727 229 A ILE O 16 O1H0u 0.660 1.420 2.240 14.286 16.144 0.885 [OK] 1728 229 A ILE CB 4 C4H1b 0.770 1.880 3.215 15.108 14.227 1.062 possible 1729 229 A ILE CG1 9 C4H2b 0.770 1.880 3.230 26.385 24.187 1.091 possible 1730 229 A ILE CG2 10 C4H3u 0.770 1.880 4.668 47.827 35.961 1.330 possible 1731 229 A ILE CD1 10 C4H3u 0.770 1.880 3.109 35.239 38.377 0.918 possible 1732 230 A LEU N 12 N3H1s 0.700 1.640 2.728 14.830 13.655 1.086 [OK] 1733 230 A LEU CA 3 C4H1s 0.770 1.880 2.937 14.941 13.122 1.139 [OK] 1734 230 A LEU C 1 C3H0s 0.770 1.610 2.472 7.759 8.825 0.879 [OK] 1735 230 A LEU O 16 O1H0u 0.660 1.420 2.514 14.915 16.208 0.920 [OK] 1736 230 A LEU CB 8 C4H2s 0.770 1.880 3.124 22.121 22.951 0.964 possible 1737 230 A LEU CG 4 C4H1b 0.770 1.880 2.707 13.608 14.764 0.922 [OK] 1738 230 A LEU CD1 10 C4H3u 0.770 1.880 3.142 37.720 37.425 1.008 possible 1739 230 A LEU CD2 10 C4H3u 0.770 1.880 3.473 43.732 37.143 1.177 possible 1740 231 A TYR N 12 N3H1s 0.700 1.640 2.501 13.464 13.691 0.983 [OK] 1741 231 A TYR CA 3 C4H1s 0.770 1.880 3.119 14.962 13.330 1.122 possible 1742 231 A TYR C 1 C3H0s 0.770 1.610 2.077 7.251 8.770 0.827 [OK] 1743 231 A TYR O 16 O1H0u 0.660 1.420 2.827 15.877 16.124 0.985 [OK] 1744 231 A TYR CB 8 C4H2s 0.770 1.880 3.010 21.854 23.678 0.923 possible 1745 231 A TYR CG 2 C3H0b 0.770 1.610 2.379 8.435 9.732 0.867 [OK] 1746 231 A TYR CD1 5 C3H1s 0.770 1.760 3.153 23.602 20.171 1.170 possible 1747 231 A TYR CD2 5 C3H1s 0.770 1.760 2.925 18.993 20.728 0.916 [OK] 1748 231 A TYR CE1 5 C3H1s 0.770 1.760 3.447 26.124 20.675 1.264 possible 1749 231 A TYR CE2 5 C3H1s 0.770 1.760 2.844 19.033 20.810 0.915 [OK] 1750 231 A TYR CZ 2 C3H0b 0.770 1.610 3.206 11.040 9.926 1.112 possible 1751 231 A TYR OH 17 O2H1u 0.660 1.460 3.002 24.239 19.173 1.264 possible 1752 232 A GLN N 12 N3H1s 0.700 1.640 2.504 12.671 13.616 0.931 [OK] 1753 232 A GLN CA 3 C4H1s 0.770 1.880 3.019 15.140 13.334 1.135 possible 1754 232 A GLN C 1 C3H0s 0.770 1.610 2.173 8.190 8.787 0.932 [OK] 1755 232 A GLN O 16 O1H0u 0.660 1.420 2.585 16.448 15.993 1.028 [OK] 1756 232 A GLN CB 8 C4H2s 0.770 1.880 2.877 22.864 23.275 0.982 [OK] 1757 232 A GLN CG 8 C4H2s 0.770 1.880 3.224 24.388 23.465 1.039 possible 1758 232 A GLN CD 2 C3H0b 0.770 1.610 2.494 9.231 9.659 0.956 [OK] 1759 232 A GLN OE1 16 O1H0u 0.660 1.420 3.199 23.083 17.091 1.351 possible 1760 232 A GLN NE2 15 N3H2u 0.700 1.640 3.333 34.681 24.150 1.436 possible 1761 233 A HIS N 12 N3H1s 0.700 1.640 2.342 12.962 13.715 0.945 [OK] 1762 233 A HIS CA 3 C4H1s 0.770 1.880 2.782 13.626 13.467 1.012 [OK] 1763 233 A HIS C 1 C3H0s 0.770 1.610 2.439 8.543 8.882 0.962 [OK] 1764 233 A HIS O 16 O1H0u 0.660 1.420 2.410 16.434 16.082 1.022 [OK] 1765 233 A HIS CB 8 C4H2s 0.770 1.880 3.013 25.144 23.653 1.063 possible 1766 233 A HIS CG 2 C3H0b 0.770 1.610 3.290 11.209 9.952 1.126 possible 1767 233 A HIS ND1 13 N3H1b 0.700 1.640 3.372 17.179 15.506 1.108 possible 1768 233 A HIS CD2 5 C3H1s 0.770 1.760 4.043 30.862 21.085 1.464 possible 1769 233 A HIS CE1 5 C3H1s 0.770 1.760 6.114 41.648 20.636 2.018 possible 1770 233 A HIS NE2 13 N3H1b 0.700 1.640 6.943 68.588 15.337 4.472 possible 1771 234 A LEU N 12 N3H1s 0.700 1.640 2.586 13.509 13.655 0.989 [OK] 1772 234 A LEU CA 3 C4H1s 0.770 1.880 2.814 13.719 13.122 1.046 [OK] 1773 234 A LEU C 1 C3H0s 0.770 1.610 3.047 8.992 8.825 1.019 possible 1774 234 A LEU O 16 O1H0u 0.660 1.420 2.669 18.951 16.208 1.169 [OK] 1775 234 A LEU CB 8 C4H2s 0.770 1.880 3.316 27.047 22.951 1.178 possible 1776 234 A LEU CG 4 C4H1b 0.770 1.880 2.919 14.104 14.764 0.955 [OK] 1777 234 A LEU CD1 10 C4H3u 0.770 1.880 3.189 40.974 37.425 1.095 possible 1778 234 A LEU CD2 10 C4H3u 0.770 1.880 3.184 37.475 37.143 1.009 possible 1779 235 A PHE N 12 N3H1s 0.700 1.640 3.256 15.934 13.691 1.164 possible 1780 235 A PHE CA 3 C4H1s 0.770 1.880 3.603 16.888 13.449 1.256 possible 1781 235 A PHE C 1 C3H0s 0.770 1.610 2.031 7.297 8.753 0.834 [OK] 1782 235 A PHE O 16 O1H0u 0.660 1.420 2.484 15.147 16.151 0.938 [OK] 1783 235 A PHE CB 8 C4H2s 0.770 1.880 3.560 26.207 23.777 1.102 possible 1784 235 A PHE CG 2 C3H0b 0.770 1.610 2.707 10.441 9.721 1.074 [OK] 1785 235 A PHE CD1 5 C3H1s 0.770 1.760 2.876 21.147 20.405 1.036 [OK] 1786 235 A PHE CD2 6 C3H1b 0.770 1.760 3.284 22.410 21.051 1.065 possible 1787 235 A PHE CE1 6 C3H1b 0.770 1.760 2.789 21.639 21.580 1.003 [OK] 1788 235 A PHE CE2 6 C3H1b 0.770 1.760 3.523 31.700 21.680 1.462 possible 1789 235 A PHE CZ 6 C3H1b 0.770 1.760 2.915 21.886 21.666 1.010 [OK] 1790 236 A TRP N 12 N3H1s 0.700 1.640 2.474 13.035 13.791 0.945 [OK] 1791 236 A TRP CA 3 C4H1s 0.770 1.880 2.588 12.012 13.377 0.898 [OK] 1792 236 A TRP C 1 C3H0s 0.770 1.610 2.325 8.275 8.724 0.949 [OK] 1793 236 A TRP O 16 O1H0u 0.660 1.420 2.624 16.532 15.951 1.036 [OK] 1794 236 A TRP CB 8 C4H2s 0.770 1.880 2.931 25.890 24.004 1.079 [OK] 1795 236 A TRP CG 2 C3H0b 0.770 1.610 2.750 9.766 9.965 0.980 [OK] 1796 236 A TRP CD1 5 C3H1s 0.770 1.760 2.894 23.479 20.874 1.125 [OK] 1797 236 A TRP CD2 2 C3H0b 0.770 1.610 2.241 9.202 10.097 0.911 [OK] 1798 236 A TRP NE1 13 N3H1b 0.700 1.640 3.291 18.639 16.969 1.098 possible 1799 236 A TRP CE2 2 C3H0b 0.770 1.610 2.541 9.489 9.889 0.960 [OK] 1800 236 A TRP CE3 6 C3H1b 0.770 1.760 2.917 19.626 20.448 0.960 [OK] 1801 236 A TRP CZ2 6 C3H1b 0.770 1.760 3.776 24.531 21.012 1.167 possible 1802 236 A TRP CZ3 6 C3H1b 0.770 1.760 3.107 25.864 21.516 1.202 possible 1803 236 A TRP CH2 6 C3H1b 0.770 1.760 2.673 18.882 21.339 0.885 [OK] 1804 237 A PHE N 12 N3H1s 0.700 1.640 2.370 12.594 13.691 0.920 [OK] 1805 237 A PHE CA 3 C4H1s 0.770 1.880 3.215 14.596 13.449 1.085 possible 1806 237 A PHE C 1 C3H0s 0.770 1.610 2.685 8.709 8.753 0.995 [OK] 1807 237 A PHE O 16 O1H0u 0.660 1.420 2.950 21.235 16.151 1.315 [OK] 1808 237 A PHE CB 8 C4H2s 0.770 1.880 2.848 23.683 23.777 0.996 [OK] 1809 237 A PHE CG 2 C3H0b 0.770 1.610 2.531 9.309 9.721 0.958 [OK] 1810 237 A PHE CD1 5 C3H1s 0.770 1.760 3.233 21.882 20.405 1.072 possible 1811 237 A PHE CD2 6 C3H1b 0.770 1.760 3.086 22.478 21.051 1.068 possible 1812 237 A PHE CE1 6 C3H1b 0.770 1.760 3.806 29.067 21.580 1.347 possible 1813 237 A PHE CE2 6 C3H1b 0.770 1.760 3.458 30.480 21.680 1.406 possible 1814 237 A PHE CZ 6 C3H1b 0.770 1.760 4.032 28.243 21.666 1.304 possible 1815 238 A PHE N 12 N3H1s 0.700 1.640 2.872 14.331 13.691 1.047 [OK] 1816 238 A PHE CA 3 C4H1s 0.770 1.880 3.128 14.719 13.449 1.094 possible 1817 238 A PHE C 1 C3H0s 0.770 1.610 2.307 7.815 8.753 0.893 [OK] 1818 238 A PHE O 16 O1H0u 0.660 1.420 2.585 14.523 16.151 0.899 [OK] 1819 238 A PHE CB 8 C4H2s 0.770 1.880 2.937 25.147 23.777 1.058 [OK] 1820 238 A PHE CG 2 C3H0b 0.770 1.610 2.269 8.280 9.721 0.852 [OK] 1821 238 A PHE CD1 5 C3H1s 0.770 1.760 2.846 19.483 20.405 0.955 [OK] 1822 238 A PHE CD2 6 C3H1b 0.770 1.760 2.728 19.107 21.051 0.908 [OK] 1823 238 A PHE CE1 6 C3H1b 0.770 1.760 3.033 20.273 21.580 0.939 possible 1824 238 A PHE CE2 6 C3H1b 0.770 1.760 3.426 27.521 21.680 1.269 possible 1825 238 A PHE CZ 6 C3H1b 0.770 1.760 2.972 21.576 21.666 0.996 [OK] 1826 239 A GLY N 12 N3H1s 0.700 1.640 2.408 11.801 14.854 0.794 [OK] 1827 239 A GLY CA 8 C4H2s 0.770 1.880 3.000 26.252 23.688 1.108 [OK] 1828 239 A GLY C 2 C3H0b 0.770 1.610 2.472 8.718 9.840 0.886 [OK] 1829 239 A GLY O 16 O1H0u 0.660 1.420 2.688 20.573 16.391 1.255 [OK] 1830 240 A HIS N 12 N3H1s 0.700 1.640 2.760 14.775 13.715 1.077 [OK] 1831 240 A HIS CA 3 C4H1s 0.770 1.880 2.904 13.270 13.467 0.985 [OK] 1832 240 A HIS C 1 C3H0s 0.770 1.610 2.143 7.769 8.882 0.875 [OK] 1833 240 A HIS O 16 O1H0u 0.660 1.420 2.156 12.928 16.082 0.804 [OK] 1834 240 A HIS CB 8 C4H2s 0.770 1.880 3.253 26.790 23.653 1.133 possible 1835 240 A HIS CG 2 C3H0b 0.770 1.610 2.593 9.628 9.952 0.967 [OK] 1836 240 A HIS ND1 13 N3H1b 0.700 1.640 2.343 10.561 15.506 0.681 [OK] 1837 240 A HIS CD2 5 C3H1s 0.770 1.760 2.706 16.931 21.085 0.803 [OK] 1838 240 A HIS CE1 5 C3H1s 0.770 1.760 2.967 19.556 20.636 0.948 [OK] 1839 240 A HIS NE2 13 N3H1b 0.700 1.640 2.701 8.889 15.337 0.580 [OK] 1840 241 A PRO N 11 N3H0u 0.700 1.640 2.352 8.115 8.823 0.920 [OK] 1841 241 A PRO CA 4 C4H1b 0.770 1.880 3.493 19.242 13.955 1.379 possible 1842 241 A PRO C 1 C3H0s 0.770 1.610 2.418 8.130 8.812 0.923 [OK] 1843 241 A PRO O 16 O1H0u 0.660 1.420 2.495 14.756 16.169 0.913 [OK] 1844 241 A PRO CB 9 C4H2b 0.770 1.880 3.241 26.873 25.563 1.051 possible 1845 241 A PRO CG 9 C4H2b 0.770 1.880 3.183 24.506 25.832 0.949 possible 1846 241 A PRO CD 8 C4H2s 0.770 1.880 3.449 23.329 23.836 0.979 possible 1847 242 A GLU N 12 N3H1s 0.700 1.640 2.829 13.840 13.615 1.017 [OK] 1848 242 A GLU CA 3 C4H1s 0.770 1.880 2.966 12.752 13.399 0.952 [OK] 1849 242 A GLU C 1 C3H0s 0.770 1.610 2.566 7.741 8.675 0.892 [OK] 1850 242 A GLU O 16 O1H0u 0.660 1.420 2.418 13.906 16.023 0.868 [OK] 1851 242 A GLU CB 8 C4H2s 0.770 1.880 2.991 22.789 23.529 0.969 [OK] 1852 242 A GLU CG 8 C4H2s 0.770 1.880 3.339 30.893 23.513 1.314 possible 1853 242 A GLU CD 2 C3H0b 0.770 1.610 2.597 10.151 9.460 1.073 [OK] 1854 242 A GLU OE1 16 O1H0u 0.660 1.420 2.751 21.238 15.999 1.327 [OK] 1855 242 A GLU OE2 16 O1H0u 0.660 1.420 2.504 18.723 17.432 1.074 [OK] 1856 243 A VAL N 12 N3H1s 0.700 1.640 2.611 12.650 13.676 0.925 [OK] 1857 243 A VAL CA 3 C4H1s 0.770 1.880 2.791 12.651 13.123 0.964 [OK] 1858 243 A VAL C 1 C3H0s 0.770 1.610 2.591 8.291 8.563 0.968 [OK] 1859 243 A VAL O 16 O1H0u 0.660 1.420 2.417 15.042 16.181 0.930 [OK] 1860 243 A VAL CB 4 C4H1b 0.770 1.880 2.888 12.853 14.598 0.880 [OK] 1861 243 A VAL CG1 10 C4H3u 0.770 1.880 3.343 45.983 36.584 1.257 possible 1862 243 A VAL CG2 10 C4H3u 0.770 1.880 2.831 29.989 36.332 0.825 [OK] 1863 244 A TYR N 12 N3H1s 0.700 1.640 2.558 12.030 13.691 0.879 [OK] 1864 244 A TYR CA 3 C4H1s 0.770 1.880 2.835 13.014 13.330 0.976 [OK] 1865 244 A TYR C 1 C3H0s 0.770 1.610 2.427 8.908 8.770 1.016 [OK] 1866 244 A TYR O 16 O1H0u 0.660 1.420 2.554 15.554 16.124 0.965 [OK] 1867 244 A TYR CB 8 C4H2s 0.770 1.880 3.402 30.409 23.678 1.284 possible 1868 244 A TYR CG 2 C3H0b 0.770 1.610 2.912 11.001 9.732 1.130 [OK] 1869 244 A TYR CD1 5 C3H1s 0.770 1.760 3.296 22.938 20.171 1.137 possible 1870 244 A TYR CD2 5 C3H1s 0.770 1.760 3.154 19.317 20.728 0.932 possible 1871 244 A TYR CE1 5 C3H1s 0.770 1.760 3.556 27.078 20.675 1.310 possible 1872 244 A TYR CE2 5 C3H1s 0.770 1.760 3.045 10.438 20.810 0.502 possible 1873 244 A TYR CZ 2 C3H0b 0.770 1.610 2.966 10.853 9.926 1.093 [OK] 1874 244 A TYR OH 17 O2H1u 0.660 1.460 2.796 21.167 19.173 1.104 [OK] 1875 245 A ILE N 12 N3H1s 0.700 1.640 2.466 12.065 13.633 0.885 [OK] 1876 245 A ILE CA 3 C4H1s 0.770 1.880 2.946 15.250 13.007 1.172 [OK] 1877 245 A ILE C 1 C3H0s 0.770 1.610 2.492 7.874 8.470 0.930 [OK] 1878 245 A ILE O 16 O1H0u 0.660 1.420 2.835 19.182 16.144 1.188 [OK] 1879 245 A ILE CB 4 C4H1b 0.770 1.880 2.575 11.993 14.227 0.843 [OK] 1880 245 A ILE CG1 9 C4H2b 0.770 1.880 2.817 21.877 24.187 0.904 [OK] 1881 245 A ILE CG2 10 C4H3u 0.770 1.880 3.018 35.944 35.961 1.000 possible 1882 245 A ILE CD1 10 C4H3u 0.770 1.880 3.139 35.599 38.377 0.928 possible 1883 246 A LEU N 12 N3H1s 0.700 1.640 2.516 12.478 13.655 0.914 [OK] 1884 246 A LEU CA 3 C4H1s 0.770 1.880 3.316 14.641 13.122 1.116 possible 1885 246 A LEU C 1 C3H0s 0.770 1.610 2.449 9.056 8.825 1.026 [OK] 1886 246 A LEU O 16 O1H0u 0.660 1.420 2.693 19.131 16.208 1.180 [OK] 1887 246 A LEU CB 8 C4H2s 0.770 1.880 2.962 22.558 22.951 0.983 [OK] 1888 246 A LEU CG 4 C4H1b 0.770 1.880 2.798 13.822 14.764 0.936 [OK] 1889 246 A LEU CD1 10 C4H3u 0.770 1.880 3.322 42.028 37.425 1.123 possible 1890 246 A LEU CD2 10 C4H3u 0.770 1.880 3.291 36.402 37.143 0.980 possible 1891 247 A ILE N 12 N3H1s 0.700 1.640 2.508 13.341 13.633 0.979 [OK] 1892 247 A ILE CA 3 C4H1s 0.770 1.880 3.117 11.954 13.007 0.919 possible 1893 247 A ILE C 1 C3H0s 0.770 1.610 2.550 8.821 8.470 1.041 [OK] 1894 247 A ILE O 16 O1H0u 0.660 1.420 2.769 15.790 16.144 0.978 [OK] 1895 247 A ILE CB 4 C4H1b 0.770 1.880 2.673 12.899 14.227 0.907 [OK] 1896 247 A ILE CG1 9 C4H2b 0.770 1.880 2.935 22.222 24.187 0.919 [OK] 1897 247 A ILE CG2 10 C4H3u 0.770 1.880 3.457 37.521 35.961 1.043 possible 1898 247 A ILE CD1 10 C4H3u 0.770 1.880 3.204 41.133 38.377 1.072 possible 1899 248 A LEU N 12 N3H1s 0.700 1.640 2.425 12.793 13.655 0.937 [OK] 1900 248 A LEU CA 3 C4H1s 0.770 1.880 2.596 12.322 13.122 0.939 [OK] 1901 248 A LEU C 1 C3H0s 0.770 1.610 2.552 8.458 8.825 0.958 [OK] 1902 248 A LEU O 16 O1H0u 0.660 1.420 2.194 12.936 16.208 0.798 [OK] 1903 248 A LEU CB 8 C4H2s 0.770 1.880 3.009 22.580 22.951 0.984 possible 1904 248 A LEU CG 4 C4H1b 0.770 1.880 3.087 15.112 14.764 1.024 possible 1905 248 A LEU CD1 10 C4H3u 0.770 1.880 3.168 42.316 37.425 1.131 possible 1906 248 A LEU CD2 10 C4H3u 0.770 1.880 3.044 36.518 37.143 0.983 possible 1907 249 A PRO N 11 N3H0u 0.700 1.640 2.625 8.708 8.823 0.987 [OK] 1908 249 A PRO CA 4 C4H1b 0.770 1.880 2.799 14.089 13.955 1.010 [OK] 1909 249 A PRO C 1 C3H0s 0.770 1.610 2.400 8.301 8.812 0.942 [OK] 1910 249 A PRO O 16 O1H0u 0.660 1.420 2.344 15.680 16.169 0.970 [OK] 1911 249 A PRO CB 9 C4H2b 0.770 1.880 3.373 29.933 25.563 1.171 possible 1912 249 A PRO CG 9 C4H2b 0.770 1.880 3.358 29.969 25.832 1.160 possible 1913 249 A PRO CD 8 C4H2s 0.770 1.880 2.717 21.225 23.836 0.890 [OK] 1914 250 A GLY N 12 N3H1s 0.700 1.640 2.875 14.411 14.854 0.970 [OK] 1915 250 A GLY CA 8 C4H2s 0.770 1.880 3.244 27.930 23.688 1.179 possible 1916 250 A GLY C 2 C3H0b 0.770 1.610 2.755 9.753 9.840 0.991 [OK] 1917 250 A GLY O 16 O1H0u 0.660 1.420 2.478 15.779 16.391 0.963 [OK] 1918 251 A PHE N 12 N3H1s 0.700 1.640 2.747 12.147 13.691 0.887 [OK] 1919 251 A PHE CA 3 C4H1s 0.770 1.880 2.934 14.190 13.449 1.055 [OK] 1920 251 A PHE C 1 C3H0s 0.770 1.610 2.862 8.798 8.753 1.005 [OK] 1921 251 A PHE O 16 O1H0u 0.660 1.420 3.047 18.914 16.151 1.171 possible 1922 251 A PHE CB 8 C4H2s 0.770 1.880 3.022 21.219 23.777 0.892 possible 1923 251 A PHE CG 2 C3H0b 0.770 1.610 2.593 10.354 9.721 1.065 [OK] 1924 251 A PHE CD1 5 C3H1s 0.770 1.760 2.867 18.642 20.405 0.914 [OK] 1925 251 A PHE CD2 6 C3H1b 0.770 1.760 2.840 19.122 21.051 0.908 [OK] 1926 251 A PHE CE1 6 C3H1b 0.770 1.760 3.320 22.606 21.580 1.048 possible 1927 251 A PHE CE2 6 C3H1b 0.770 1.760 3.418 23.725 21.680 1.094 possible 1928 251 A PHE CZ 6 C3H1b 0.770 1.760 3.590 26.842 21.666 1.239 possible 1929 252 A GLY N 12 N3H1s 0.700 1.640 2.908 13.638 14.854 0.918 [OK] 1930 252 A GLY CA 8 C4H2s 0.770 1.880 3.594 27.215 23.688 1.149 possible 1931 252 A GLY C 2 C3H0b 0.770 1.610 2.483 8.933 9.840 0.908 [OK] 1932 252 A GLY O 16 O1H0u 0.660 1.420 2.518 16.356 16.391 0.998 [OK] 1933 253 A MET N 12 N3H1s 0.700 1.640 2.517 13.587 13.564 1.002 [OK] 1934 253 A MET CA 3 C4H1s 0.770 1.880 3.155 15.780 13.231 1.193 possible 1935 253 A MET C 1 C3H0s 0.770 1.610 2.643 8.114 8.782 0.924 [OK] 1936 253 A MET O 16 O1H0u 0.660 1.420 2.364 14.639 16.277 0.899 [OK] 1937 253 A MET CB 8 C4H2s 0.770 1.880 3.109 27.780 23.645 1.175 possible 1938 253 A MET CG 9 C4H2b 0.770 1.880 3.114 24.592 24.009 1.024 possible 1939 253 A MET SD 19 S2H0u 1.040 1.770 2.981 31.576 30.093 1.049 [OK] 1940 253 A MET CE 10 C4H3u 0.770 1.880 3.138 40.891 37.161 1.100 possible 1941 254 A ILE N 12 N3H1s 0.700 1.640 2.736 13.261 13.633 0.973 [OK] 1942 254 A ILE CA 3 C4H1s 0.770 1.880 2.779 13.074 13.007 1.005 [OK] 1943 254 A ILE C 1 C3H0s 0.770 1.610 2.423 8.203 8.470 0.968 [OK] 1944 254 A ILE O 16 O1H0u 0.660 1.420 2.411 15.474 16.144 0.958 [OK] 1945 254 A ILE CB 4 C4H1b 0.770 1.880 2.935 15.462 14.227 1.087 [OK] 1946 254 A ILE CG1 9 C4H2b 0.770 1.880 2.905 21.470 24.187 0.888 [OK] 1947 254 A ILE CG2 10 C4H3u 0.770 1.880 2.914 37.398 35.961 1.040 [OK] 1948 254 A ILE CD1 10 C4H3u 0.770 1.880 3.295 39.564 38.377 1.031 possible 1949 255 A SER N 12 N3H1s 0.700 1.640 2.419 13.509 14.103 0.958 [OK] 1950 255 A SER CA 3 C4H1s 0.770 1.880 3.341 15.661 13.476 1.162 possible 1951 255 A SER C 1 C3H0s 0.770 1.610 3.298 8.916 8.923 0.999 possible 1952 255 A SER O 16 O1H0u 0.660 1.420 3.120 20.036 16.179 1.238 possible 1953 255 A SER CB 8 C4H2s 0.770 1.880 3.569 26.493 23.884 1.109 possible 1954 255 A SER OG 17 O2H1u 0.660 1.460 3.020 24.461 18.732 1.306 possible 1955 256 A HIS N 12 N3H1s 0.700 1.640 3.158 13.318 13.715 0.971 possible 1956 256 A HIS CA 3 C4H1s 0.770 1.880 4.097 19.837 13.467 1.473 possible 1957 256 A HIS C 1 C3H0s 0.770 1.610 2.897 8.817 8.882 0.993 [OK] 1958 256 A HIS O 16 O1H0u 0.660 1.420 3.332 22.034 16.082 1.370 possible 1959 256 A HIS CB 8 C4H2s 0.770 1.880 3.718 29.273 23.653 1.238 possible 1960 256 A HIS CG 2 C3H0b 0.770 1.610 3.729 12.344 9.952 1.240 possible 1961 256 A HIS ND1 13 N3H1b 0.700 1.640 4.180 30.968 15.506 1.997 possible 1962 256 A HIS CD2 5 C3H1s 0.770 1.760 3.819 25.477 21.085 1.208 possible 1963 256 A HIS CE1 5 C3H1s 0.770 1.760 4.340 31.464 20.636 1.525 possible 1964 256 A HIS NE2 13 N3H1b 0.700 1.640 3.762 19.586 15.337 1.277 possible 1965 257 A ILE N 12 N3H1s 0.700 1.640 2.893 13.320 13.633 0.977 [OK] 1966 257 A ILE CA 3 C4H1s 0.770 1.880 3.037 15.320 13.007 1.178 possible 1967 257 A ILE C 1 C3H0s 0.770 1.610 2.540 7.640 8.470 0.902 [OK] 1968 257 A ILE O 16 O1H0u 0.660 1.420 2.389 15.401 16.144 0.954 [OK] 1969 257 A ILE CB 4 C4H1b 0.770 1.880 2.790 14.047 14.227 0.987 [OK] 1970 257 A ILE CG1 9 C4H2b 0.770 1.880 3.072 26.763 24.187 1.106 possible 1971 257 A ILE CG2 10 C4H3u 0.770 1.880 2.885 33.584 35.961 0.934 [OK] 1972 257 A ILE CD1 10 C4H3u 0.770 1.880 3.275 43.072 38.377 1.122 possible 1973 258 A VAL N 12 N3H1s 0.700 1.640 2.638 13.067 13.676 0.955 [OK] 1974 258 A VAL CA 3 C4H1s 0.770 1.880 2.874 13.914 13.123 1.060 [OK] 1975 258 A VAL C 1 C3H0s 0.770 1.610 2.063 7.741 8.563 0.904 [OK] 1976 258 A VAL O 16 O1H0u 0.660 1.420 2.379 15.998 16.181 0.989 [OK] 1977 258 A VAL CB 4 C4H1b 0.770 1.880 3.273 15.981 14.598 1.095 possible 1978 258 A VAL CG1 10 C4H3u 0.770 1.880 3.557 36.220 36.584 0.990 possible 1979 258 A VAL CG2 10 C4H3u 0.770 1.880 3.108 40.701 36.332 1.120 possible 1980 259 A THR N 12 N3H1s 0.700 1.640 2.756 13.561 13.832 0.980 [OK] 1981 259 A THR CA 3 C4H1s 0.770 1.880 2.714 12.921 13.099 0.986 [OK] 1982 259 A THR C 1 C3H0s 0.770 1.610 2.674 7.821 8.738 0.895 [OK] 1983 259 A THR O 16 O1H0u 0.660 1.420 2.487 16.160 16.020 1.009 [OK] 1984 259 A THR CB 4 C4H1b 0.770 1.880 3.877 16.598 14.829 1.119 possible 1985 259 A THR OG1 17 O2H1u 0.660 1.460 3.236 20.767 18.123 1.146 possible 1986 259 A THR CG2 10 C4H3u 0.770 1.880 4.575 50.117 36.542 1.371 possible 1987 260 A TYR N 12 N3H1s 0.700 1.640 3.397 14.639 13.691 1.069 possible 1988 260 A TYR CA 3 C4H1s 0.770 1.880 3.487 17.565 13.330 1.318 possible 1989 260 A TYR C 1 C3H0s 0.770 1.610 2.322 7.732 8.770 0.882 [OK] 1990 260 A TYR O 16 O1H0u 0.660 1.420 3.175 21.262 16.124 1.319 possible 1991 260 A TYR CB 8 C4H2s 0.770 1.880 3.567 28.048 23.678 1.185 possible 1992 260 A TYR CG 2 C3H0b 0.770 1.610 2.718 10.001 9.732 1.028 [OK] 1993 260 A TYR CD1 5 C3H1s 0.770 1.760 3.276 24.258 20.171 1.203 possible 1994 260 A TYR CD2 5 C3H1s 0.770 1.760 3.330 19.455 20.728 0.939 possible 1995 260 A TYR CE1 5 C3H1s 0.770 1.760 2.992 23.830 20.675 1.153 [OK] 1996 260 A TYR CE2 5 C3H1s 0.770 1.760 3.603 29.792 20.810 1.432 possible 1997 260 A TYR CZ 2 C3H0b 0.770 1.610 2.812 11.830 9.926 1.192 [OK] 1998 260 A TYR OH 17 O2H1u 0.660 1.460 3.570 29.467 19.173 1.537 possible 1999 261 A TYR N 12 N3H1s 0.700 1.640 2.536 12.985 13.691 0.948 [OK] 2000 261 A TYR CA 3 C4H1s 0.770 1.880 3.469 14.792 13.330 1.110 possible 2001 261 A TYR C 1 C3H0s 0.770 1.610 3.272 10.047 8.770 1.146 possible 2002 261 A TYR O 16 O1H0u 0.660 1.420 3.185 18.416 16.124 1.142 possible 2003 261 A TYR CB 8 C4H2s 0.770 1.880 2.864 22.961 23.678 0.970 [OK] 2004 261 A TYR CG 2 C3H0b 0.770 1.610 2.432 9.409 9.732 0.967 [OK] 2005 261 A TYR CD1 5 C3H1s 0.770 1.760 3.334 21.152 20.171 1.049 possible 2006 261 A TYR CD2 5 C3H1s 0.770 1.760 2.681 19.068 20.728 0.920 [OK] 2007 261 A TYR CE1 5 C3H1s 0.770 1.760 4.025 24.918 20.675 1.205 possible 2008 261 A TYR CE2 5 C3H1s 0.770 1.760 2.849 20.800 20.810 0.999 [OK] 2009 261 A TYR CZ 2 C3H0b 0.770 1.610 2.435 9.620 9.926 0.969 [OK] 2010 261 A TYR OH 17 O2H1u 0.660 1.460 3.962 42.305 19.173 2.207 possible 2011 262 A SER N 12 N3H1s 0.700 1.640 2.420 12.136 14.103 0.861 [OK] 2012 262 A SER CA 3 C4H1s 0.770 1.880 2.573 13.318 13.476 0.988 [OK] 2013 262 A SER C 1 C3H0s 0.770 1.610 2.362 9.177 8.923 1.028 [OK] 2014 262 A SER O 16 O1H0u 0.660 1.420 2.555 16.423 16.179 1.015 [OK] 2015 262 A SER CB 8 C4H2s 0.770 1.880 2.774 24.128 23.884 1.010 [OK] 2016 262 A SER OG 17 O2H1u 0.660 1.460 2.362 17.982 18.732 0.960 [OK] 2017 263 A GLY N 12 N3H1s 0.700 1.640 3.414 15.778 14.854 1.062 possible 2018 263 A GLY CA 8 C4H2s 0.770 1.880 3.290 29.958 23.688 1.265 possible 2019 263 A GLY C 2 C3H0b 0.770 1.610 2.639 10.377 9.840 1.055 [OK] 2020 263 A GLY O 16 O1H0u 0.660 1.420 3.713 31.714 16.391 1.935 possible 2021 264 A LYS N 12 N3H1s 0.700 1.640 2.673 13.777 13.675 1.007 [OK] 2022 264 A LYS CA 3 C4H1s 0.770 1.880 3.130 14.544 13.324 1.092 possible 2023 264 A LYS C 1 C3H0s 0.770 1.610 3.246 10.475 8.759 1.196 possible 2024 264 A LYS O 16 O1H0u 0.660 1.420 3.065 26.815 16.049 1.671 possible 2025 264 A LYS CB 8 C4H2s 0.770 1.880 3.916 25.455 22.904 1.111 possible 2026 264 A LYS CG 8 C4H2s 0.770 1.880 3.485 23.852 23.131 1.031 possible 2027 264 A LYS CD 8 C4H2s 0.770 1.880 4.120 31.464 23.837 1.320 possible 2028 264 A LYS CE 9 C4H2b 0.770 1.880 2.728 23.478 23.934 0.981 [OK] 2029 264 A LYS NZ 14 N4H3u 0.700 1.640 4.052 36.887 21.213 1.739 possible 2030 265 A LYS N 12 N3H1s 0.700 1.640 3.721 21.896 13.675 1.601 possible 2031 265 A LYS CA 3 C4H1s 0.770 1.880 3.438 16.063 13.324 1.206 possible 2032 265 A LYS C 1 C3H0s 0.770 1.610 2.711 8.801 8.759 1.005 [OK] 2033 265 A LYS O 16 O1H0u 0.660 1.420 3.823 27.145 16.049 1.691 possible 2034 265 A LYS CB 8 C4H2s 0.770 1.880 3.704 32.691 22.904 1.427 possible 2035 265 A LYS CG 8 C4H2s 0.770 1.880 4.404 45.087 23.131 1.949 possible 2036 265 A LYS CD 8 C4H2s 0.770 1.880 4.736 53.291 23.837 2.236 possible 2037 265 A LYS CE 9 C4H2b 0.770 1.880 5.753 80.466 23.934 3.362 possible 2038 265 A LYS NZ 14 N4H3u 0.700 1.640 5.039 89.695 21.213 4.228 possible 2039 266 A GLU N 12 N3H1s 0.700 1.640 3.651 15.308 13.615 1.124 possible 2040 266 A GLU CA 3 C4H1s 0.770 1.880 3.251 13.451 13.399 1.004 possible 2041 266 A GLU C 1 C3H0s 0.770 1.610 2.183 8.302 8.675 0.957 [OK] 2042 266 A GLU O 16 O1H0u 0.660 1.420 3.544 30.050 16.023 1.875 possible 2043 266 A GLU CB 8 C4H2s 0.770 1.880 3.643 26.761 23.529 1.137 possible 2044 266 A GLU CG 8 C4H2s 0.770 1.880 4.224 35.561 23.513 1.512 possible 2045 266 A GLU CD 2 C3H0b 0.770 1.610 3.956 13.032 9.460 1.378 possible 2046 266 A GLU OE1 16 O1H0u 0.660 1.420 5.556 47.004 15.999 2.938 possible 2047 266 A GLU OE2 16 O1H0u 0.660 1.420 5.535 48.300 17.432 2.771 possible 2048 267 A PRO N 11 N3H0u 0.700 1.640 2.364 7.989 8.823 0.905 [OK] 2049 267 A PRO CA 4 C4H1b 0.770 1.880 2.691 14.112 13.955 1.011 [OK] 2050 267 A PRO C 1 C3H0s 0.770 1.610 2.942 8.865 8.812 1.006 [OK] 2051 267 A PRO O 16 O1H0u 0.660 1.420 3.788 26.690 16.169 1.651 possible 2052 267 A PRO CB 9 C4H2b 0.770 1.880 3.518 34.161 25.563 1.336 possible 2053 267 A PRO CG 9 C4H2b 0.770 1.880 3.681 30.108 25.832 1.166 possible 2054 267 A PRO CD 8 C4H2s 0.770 1.880 4.632 51.687 23.836 2.168 possible 2055 268 A PHE N 12 N3H1s 0.700 1.640 3.798 18.570 13.691 1.356 possible 2056 268 A PHE CA 3 C4H1s 0.770 1.880 4.271 23.143 13.449 1.721 possible 2057 268 A PHE C 1 C3H0s 0.770 1.610 2.179 7.823 8.753 0.894 [OK] 2058 268 A PHE O 16 O1H0u 0.660 1.420 2.749 20.615 16.151 1.276 [OK] 2059 268 A PHE CB 8 C4H2s 0.770 1.880 4.122 26.721 23.777 1.124 possible 2060 268 A PHE CG 2 C3H0b 0.770 1.610 2.381 8.394 9.721 0.864 [OK] 2061 268 A PHE CD1 5 C3H1s 0.770 1.760 2.727 18.595 20.405 0.911 [OK] 2062 268 A PHE CD2 6 C3H1b 0.770 1.760 3.786 28.927 21.051 1.374 possible 2063 268 A PHE CE1 6 C3H1b 0.770 1.760 2.625 21.193 21.580 0.982 [OK] 2064 268 A PHE CE2 6 C3H1b 0.770 1.760 4.580 34.663 21.680 1.599 possible 2065 268 A PHE CZ 6 C3H1b 0.770 1.760 3.383 21.949 21.666 1.013 possible 2066 269 A GLY N 12 N3H1s 0.700 1.640 4.349 26.749 14.854 1.801 possible 2067 269 A GLY CA 8 C4H2s 0.770 1.880 3.652 28.152 23.688 1.188 possible 2068 269 A GLY C 2 C3H0b 0.770 1.610 3.138 9.938 9.840 1.010 possible 2069 269 A GLY O 16 O1H0u 0.660 1.420 2.822 16.548 16.391 1.010 [OK] 2070 270 A TYR N 12 N3H1s 0.700 1.640 4.589 26.636 13.691 1.946 possible 2071 270 A TYR CA 3 C4H1s 0.770 1.880 2.993 16.086 13.330 1.207 [OK] 2072 270 A TYR C 1 C3H0s 0.770 1.610 2.097 7.310 8.770 0.834 [OK] 2073 270 A TYR O 16 O1H0u 0.660 1.420 2.268 15.070 16.124 0.935 [OK] 2074 270 A TYR CB 8 C4H2s 0.770 1.880 4.824 35.853 23.678 1.514 possible 2075 270 A TYR CG 2 C3H0b 0.770 1.610 2.537 9.011 9.732 0.926 [OK] 2076 270 A TYR CD1 5 C3H1s 0.770 1.760 3.415 19.898 20.171 0.986 possible 2077 270 A TYR CD2 5 C3H1s 0.770 1.760 3.838 29.092 20.728 1.403 possible 2078 270 A TYR CE1 5 C3H1s 0.770 1.760 3.221 21.304 20.675 1.030 possible 2079 270 A TYR CE2 5 C3H1s 0.770 1.760 3.792 26.039 20.810 1.251 possible 2080 270 A TYR CZ 2 C3H0b 0.770 1.610 2.672 10.463 9.926 1.054 [OK] 2081 270 A TYR OH 17 O2H1u 0.660 1.460 2.617 17.641 19.173 0.920 [OK] 2082 271 A MET N 12 N3H1s 0.700 1.640 4.357 19.596 13.564 1.445 possible 2083 271 A MET CA 3 C4H1s 0.770 1.880 2.791 13.225 13.231 1.000 [OK] 2084 271 A MET C 1 C3H0s 0.770 1.610 3.788 9.243 8.782 1.053 possible 2085 271 A MET O 16 O1H0u 0.660 1.420 4.065 19.928 16.277 1.224 possible 2086 271 A MET CB 8 C4H2s 0.770 1.880 4.603 46.434 23.645 1.964 possible 2087 271 A MET CG 9 C4H2b 0.770 1.880 5.980 67.156 24.009 2.797 possible 2088 271 A MET SD 19 S2H0u 1.040 1.770 3.475 33.812 30.093 1.124 possible 2089 271 A MET CE 10 C4H3u 0.770 1.880 4.964 56.102 37.161 1.510 possible 2090 272 A GLY N 12 N3H1s 0.700 1.640 3.925 20.674 14.854 1.392 possible 2091 272 A GLY CA 8 C4H2s 0.770 1.880 4.837 44.010 23.688 1.858 possible 2092 272 A GLY C 2 C3H0b 0.770 1.610 3.175 11.357 9.840 1.154 possible 2093 272 A GLY O 16 O1H0u 0.660 1.420 2.711 16.145 16.391 0.985 [OK] 2094 273 A MET N 12 N3H1s 0.700 1.640 3.074 13.220 13.564 0.975 possible 2095 273 A MET CA 3 C4H1s 0.770 1.880 3.011 13.857 13.231 1.047 possible 2096 273 A MET C 1 C3H0s 0.770 1.610 2.619 8.751 8.782 0.997 [OK] 2097 273 A MET O 16 O1H0u 0.660 1.420 2.633 16.515 16.277 1.015 [OK] 2098 273 A MET CB 8 C4H2s 0.770 1.880 3.135 23.045 23.645 0.975 possible 2099 273 A MET CG 9 C4H2b 0.770 1.880 3.130 25.508 24.009 1.062 possible 2100 273 A MET SD 19 S2H0u 1.040 1.770 3.175 28.220 30.093 0.938 possible 2101 273 A MET CE 10 C4H3u 0.770 1.880 3.330 41.332 37.161 1.112 possible 2102 274 A VAL N 12 N3H1s 0.700 1.640 2.740 13.222 13.676 0.967 [OK] 2103 274 A VAL CA 3 C4H1s 0.770 1.880 3.256 17.876 13.123 1.362 possible 2104 274 A VAL C 1 C3H0s 0.770 1.610 2.562 7.554 8.563 0.882 [OK] 2105 274 A VAL O 16 O1H0u 0.660 1.420 2.636 15.639 16.181 0.967 [OK] 2106 274 A VAL CB 4 C4H1b 0.770 1.880 3.026 14.778 14.598 1.012 possible 2107 274 A VAL CG1 10 C4H3u 0.770 1.880 3.157 40.511 36.584 1.107 possible 2108 274 A VAL CG2 10 C4H3u 0.770 1.880 3.053 35.170 36.332 0.968 possible 2109 275 A TRP N 12 N3H1s 0.700 1.640 2.627 13.018 13.791 0.944 [OK] 2110 275 A TRP CA 3 C4H1s 0.770 1.880 3.048 15.474 13.377 1.157 possible 2111 275 A TRP C 1 C3H0s 0.770 1.610 2.135 7.556 8.724 0.866 [OK] 2112 275 A TRP O 16 O1H0u 0.660 1.420 2.905 15.995 15.951 1.003 [OK] 2113 275 A TRP CB 8 C4H2s 0.770 1.880 4.912 27.853 24.004 1.160 possible 2114 275 A TRP CG 2 C3H0b 0.770 1.610 6.022 17.867 9.965 1.793 possible 2115 275 A TRP CD1 5 C3H1s 0.770 1.760 5.231 37.857 20.874 1.814 possible 2116 275 A TRP CD2 2 C3H0b 0.770 1.610 5.741 18.297 10.097 1.812 possible 2117 275 A TRP NE1 13 N3H1b 0.700 1.640 4.871 22.606 16.969 1.332 possible 2118 275 A TRP CE2 2 C3H0b 0.770 1.610 5.709 17.543 9.889 1.774 possible 2119 275 A TRP CE3 6 C3H1b 0.770 1.760 5.163 28.505 20.448 1.394 possible 2120 275 A TRP CZ2 6 C3H1b 0.770 1.760 5.746 59.259 21.012 2.820 possible 2121 275 A TRP CZ3 6 C3H1b 0.770 1.760 5.126 28.288 21.516 1.315 possible 2122 275 A TRP CH2 6 C3H1b 0.770 1.760 5.115 37.417 21.339 1.753 possible 2123 276 A ALA N 12 N3H1s 0.700 1.640 2.150 11.903 14.046 0.847 [OK] 2124 276 A ALA CA 4 C4H1b 0.770 1.880 2.746 13.624 14.063 0.969 [OK] 2125 276 A ALA C 1 C3H0s 0.770 1.610 2.506 8.536 8.900 0.959 [OK] 2126 276 A ALA O 16 O1H0u 0.660 1.420 2.385 14.476 16.188 0.894 [OK] 2127 276 A ALA CB 10 C4H3u 0.770 1.880 2.993 31.888 36.782 0.867 [OK] 2128 277 A MET N 12 N3H1s 0.700 1.640 2.534 13.140 13.564 0.969 [OK] 2129 277 A MET CA 3 C4H1s 0.770 1.880 2.899 14.234 13.231 1.076 [OK] 2130 277 A MET C 1 C3H0s 0.770 1.610 2.102 8.088 8.782 0.921 [OK] 2131 277 A MET O 16 O1H0u 0.660 1.420 2.565 18.458 16.277 1.134 [OK] 2132 277 A MET CB 8 C4H2s 0.770 1.880 3.193 24.992 23.645 1.057 possible 2133 277 A MET CG 9 C4H2b 0.770 1.880 2.962 21.107 24.009 0.879 [OK] 2134 277 A MET SD 19 S2H0u 1.040 1.770 3.420 38.646 30.093 1.284 possible 2135 277 A MET CE 10 C4H3u 0.770 1.880 3.426 33.292 37.161 0.896 possible 2136 278 A MET N 12 N3H1s 0.700 1.640 2.379 12.273 13.564 0.905 [OK] 2137 278 A MET CA 3 C4H1s 0.770 1.880 2.957 15.143 13.231 1.145 [OK] 2138 278 A MET C 1 C3H0s 0.770 1.610 2.300 8.311 8.782 0.946 [OK] 2139 278 A MET O 16 O1H0u 0.660 1.420 2.556 15.798 16.277 0.971 [OK] 2140 278 A MET CB 8 C4H2s 0.770 1.880 3.353 24.371 23.645 1.031 possible 2141 278 A MET CG 9 C4H2b 0.770 1.880 2.923 22.407 24.009 0.933 [OK] 2142 278 A MET SD 19 S2H0u 1.040 1.770 3.264 34.566 30.093 1.149 possible 2143 278 A MET CE 10 C4H3u 0.770 1.880 3.833 50.884 37.161 1.369 possible 2144 279 A SER N 12 N3H1s 0.700 1.640 2.829 13.475 14.103 0.955 [OK] 2145 279 A SER CA 3 C4H1s 0.770 1.880 3.644 17.441 13.476 1.294 possible 2146 279 A SER C 1 C3H0s 0.770 1.610 2.507 8.467 8.923 0.949 [OK] 2147 279 A SER O 16 O1H0u 0.660 1.420 2.913 16.237 16.179 1.004 [OK] 2148 279 A SER CB 8 C4H2s 0.770 1.880 3.681 25.985 23.884 1.088 possible 2149 279 A SER OG 17 O2H1u 0.660 1.460 4.231 38.894 18.732 2.076 possible 2150 280 A ILE N 12 N3H1s 0.700 1.640 2.623 12.901 13.633 0.946 [OK] 2151 280 A ILE CA 3 C4H1s 0.770 1.880 2.978 15.354 13.007 1.180 [OK] 2152 280 A ILE C 1 C3H0s 0.770 1.610 2.626 7.770 8.470 0.917 [OK] 2153 280 A ILE O 16 O1H0u 0.660 1.420 2.879 20.389 16.144 1.263 [OK] 2154 280 A ILE CB 4 C4H1b 0.770 1.880 2.869 13.924 14.227 0.979 [OK] 2155 280 A ILE CG1 9 C4H2b 0.770 1.880 2.971 22.903 24.187 0.947 [OK] 2156 280 A ILE CG2 10 C4H3u 0.770 1.880 3.452 40.260 35.961 1.120 possible 2157 280 A ILE CD1 10 C4H3u 0.770 1.880 3.569 40.062 38.377 1.044 possible 2158 281 A GLY N 12 N3H1s 0.700 1.640 2.793 14.817 14.854 0.997 [OK] 2159 281 A GLY CA 8 C4H2s 0.770 1.880 3.220 29.593 23.688 1.249 possible 2160 281 A GLY C 2 C3H0b 0.770 1.610 2.496 9.029 9.840 0.918 [OK] 2161 281 A GLY O 16 O1H0u 0.660 1.420 2.918 20.256 16.391 1.236 [OK] 2162 282 A PHE N 12 N3H1s 0.700 1.640 2.473 12.992 13.691 0.949 [OK] 2163 282 A PHE CA 3 C4H1s 0.770 1.880 2.946 13.935 13.449 1.036 [OK] 2164 282 A PHE C 1 C3H0s 0.770 1.610 2.382 7.889 8.753 0.901 [OK] 2165 282 A PHE O 16 O1H0u 0.660 1.420 2.541 19.383 16.151 1.200 [OK] 2166 282 A PHE CB 8 C4H2s 0.770 1.880 3.103 22.569 23.777 0.949 possible 2167 282 A PHE CG 2 C3H0b 0.770 1.610 2.782 10.166 9.721 1.046 [OK] 2168 282 A PHE CD1 5 C3H1s 0.770 1.760 3.416 23.929 20.405 1.173 possible 2169 282 A PHE CD2 6 C3H1b 0.770 1.760 4.600 31.550 21.051 1.499 possible 2170 282 A PHE CE1 6 C3H1b 0.770 1.760 5.223 34.954 21.580 1.620 possible 2171 282 A PHE CE2 6 C3H1b 0.770 1.760 5.369 48.421 21.680 2.233 possible 2172 282 A PHE CZ 6 C3H1b 0.770 1.760 22.692 -1.000 21.666 -1.000 bad 2173 283 A LEU N 12 N3H1s 0.700 1.640 2.451 12.809 13.655 0.938 [OK] 2174 283 A LEU CA 3 C4H1s 0.770 1.880 2.909 13.693 13.122 1.044 [OK] 2175 283 A LEU C 1 C3H0s 0.770 1.610 2.209 8.094 8.825 0.917 [OK] 2176 283 A LEU O 16 O1H0u 0.660 1.420 2.644 16.175 16.208 0.998 [OK] 2177 283 A LEU CB 8 C4H2s 0.770 1.880 3.215 22.837 22.951 0.995 possible 2178 283 A LEU CG 4 C4H1b 0.770 1.880 4.725 17.738 14.764 1.201 possible 2179 283 A LEU CD1 10 C4H3u 0.770 1.880 5.316 58.220 37.425 1.556 possible 2180 283 A LEU CD2 10 C4H3u 0.770 1.880 5.089 61.113 37.143 1.645 possible 2181 284 A GLY N 12 N3H1s 0.700 1.640 2.613 13.950 14.854 0.939 [OK] 2182 284 A GLY CA 8 C4H2s 0.770 1.880 3.403 27.628 23.688 1.166 possible 2183 284 A GLY C 2 C3H0b 0.770 1.610 3.146 11.415 9.840 1.160 possible 2184 284 A GLY O 16 O1H0u 0.660 1.420 2.953 19.539 16.391 1.192 [OK] 2185 285 A PHE N 12 N3H1s 0.700 1.640 2.430 12.868 13.691 0.940 [OK] 2186 285 A PHE CA 3 C4H1s 0.770 1.880 3.109 14.024 13.449 1.043 possible 2187 285 A PHE C 1 C3H0s 0.770 1.610 3.076 10.186 8.753 1.164 possible 2188 285 A PHE O 16 O1H0u 0.660 1.420 2.885 23.360 16.151 1.446 [OK] 2189 285 A PHE CB 8 C4H2s 0.770 1.880 3.017 25.606 23.777 1.077 possible 2190 285 A PHE CG 2 C3H0b 0.770 1.610 2.663 10.382 9.721 1.068 [OK] 2191 285 A PHE CD1 5 C3H1s 0.770 1.760 3.076 23.733 20.405 1.163 possible 2192 285 A PHE CD2 6 C3H1b 0.770 1.760 3.257 22.152 21.051 1.052 possible 2193 285 A PHE CE1 6 C3H1b 0.770 1.760 3.186 26.465 21.580 1.226 possible 2194 285 A PHE CE2 6 C3H1b 0.770 1.760 3.100 19.404 21.680 0.895 possible 2195 285 A PHE CZ 6 C3H1b 0.770 1.760 2.800 20.245 21.666 0.934 [OK] 2196 286 A ILE N 12 N3H1s 0.700 1.640 2.520 13.127 13.633 0.963 [OK] 2197 286 A ILE CA 3 C4H1s 0.770 1.880 3.040 14.132 13.007 1.087 possible 2198 286 A ILE C 1 C3H0s 0.770 1.610 2.380 9.048 8.470 1.068 [OK] 2199 286 A ILE O 16 O1H0u 0.660 1.420 2.937 18.116 16.144 1.122 [OK] 2200 286 A ILE CB 4 C4H1b 0.770 1.880 2.987 13.548 14.227 0.952 [OK] 2201 286 A ILE CG1 9 C4H2b 0.770 1.880 3.237 23.431 24.187 0.969 possible 2202 286 A ILE CG2 10 C4H3u 0.770 1.880 4.054 39.381 35.961 1.095 possible 2203 286 A ILE CD1 10 C4H3u 0.770 1.880 7.630 93.900 38.377 2.447 possible 2204 287 A VAL N 12 N3H1s 0.700 1.640 3.000 15.367 13.676 1.124 possible 2205 287 A VAL CA 3 C4H1s 0.770 1.880 3.040 13.791 13.123 1.051 possible 2206 287 A VAL C 1 C3H0s 0.770 1.610 2.458 8.324 8.563 0.972 [OK] 2207 287 A VAL O 16 O1H0u 0.660 1.420 2.591 15.862 16.181 0.980 [OK] 2208 287 A VAL CB 4 C4H1b 0.770 1.880 3.051 13.379 14.598 0.916 possible 2209 287 A VAL CG1 10 C4H3u 0.770 1.880 3.237 35.115 36.584 0.960 possible 2210 287 A VAL CG2 10 C4H3u 0.770 1.880 3.117 35.135 36.332 0.967 possible 2211 288 A TRP N 12 N3H1s 0.700 1.640 3.173 16.973 13.791 1.231 possible 2212 288 A TRP CA 3 C4H1s 0.770 1.880 3.007 15.425 13.377 1.153 possible 2213 288 A TRP C 1 C3H0s 0.770 1.610 2.332 7.987 8.724 0.915 [OK] 2214 288 A TRP O 16 O1H0u 0.660 1.420 2.649 17.412 15.951 1.092 [OK] 2215 288 A TRP CB 8 C4H2s 0.770 1.880 3.541 24.533 24.004 1.022 possible 2216 288 A TRP CG 2 C3H0b 0.770 1.610 2.431 9.447 9.965 0.948 [OK] 2217 288 A TRP CD1 5 C3H1s 0.770 1.760 2.820 22.752 20.874 1.090 [OK] 2218 288 A TRP CD2 2 C3H0b 0.770 1.610 2.432 10.407 10.097 1.031 [OK] 2219 288 A TRP NE1 13 N3H1b 0.700 1.640 3.019 18.777 16.969 1.107 possible 2220 288 A TRP CE2 2 C3H0b 0.770 1.610 2.831 11.004 9.889 1.113 [OK] 2221 288 A TRP CE3 6 C3H1b 0.770 1.760 3.146 21.145 20.448 1.034 possible 2222 288 A TRP CZ2 6 C3H1b 0.770 1.760 10.941 -1.000 21.012 -1.000 bad 2223 288 A TRP CZ3 6 C3H1b 0.770 1.760 3.480 25.093 21.516 1.166 possible 2224 288 A TRP CH2 6 C3H1b 0.770 1.760 6.067 44.903 21.339 2.104 possible 2225 289 A ALA N 12 N3H1s 0.700 1.640 2.475 13.251 14.046 0.943 [OK] 2226 289 A ALA CA 4 C4H1b 0.770 1.880 2.775 14.049 14.063 0.999 [OK] 2227 289 A ALA C 1 C3H0s 0.770 1.610 2.471 8.890 8.900 0.999 [OK] 2228 289 A ALA O 16 O1H0u 0.660 1.420 2.599 16.742 16.188 1.034 [OK] 2229 289 A ALA CB 10 C4H3u 0.770 1.880 3.307 36.800 36.782 1.000 possible 2230 290 A HIS N 12 N3H1s 0.700 1.640 2.627 13.681 13.715 0.998 [OK] 2231 290 A HIS CA 3 C4H1s 0.770 1.880 2.608 12.652 13.467 0.940 [OK] 2232 290 A HIS C 1 C3H0s 0.770 1.610 2.464 8.917 8.882 1.004 [OK] 2233 290 A HIS O 16 O1H0u 0.660 1.420 2.926 21.061 16.082 1.310 [OK] 2234 290 A HIS CB 8 C4H2s 0.770 1.880 3.183 25.888 23.653 1.094 possible 2235 290 A HIS CG 2 C3H0b 0.770 1.610 2.304 9.167 9.952 0.921 [OK] 2236 290 A HIS ND1 13 N3H1b 0.700 1.640 2.597 13.587 15.506 0.876 [OK] 2237 290 A HIS CD2 5 C3H1s 0.770 1.760 2.546 16.801 21.085 0.797 [OK] 2238 290 A HIS CE1 5 C3H1s 0.770 1.760 3.209 23.382 20.636 1.133 possible 2239 290 A HIS NE2 13 N3H1b 0.700 1.640 2.601 12.013 15.337 0.783 [OK] 2240 291 A HIS N 12 N3H1s 0.700 1.640 2.542 12.045 13.715 0.878 [OK] 2241 291 A HIS CA 3 C4H1s 0.770 1.880 3.222 16.462 13.467 1.222 possible 2242 291 A HIS C 1 C3H0s 0.770 1.610 3.189 11.272 8.882 1.269 possible 2243 291 A HIS O 16 O1H0u 0.660 1.420 3.443 31.068 16.082 1.932 possible 2244 291 A HIS CB 8 C4H2s 0.770 1.880 3.641 23.779 23.653 1.005 possible 2245 291 A HIS CG 2 C3H0b 0.770 1.610 2.433 9.077 9.952 0.912 [OK] 2246 291 A HIS ND1 13 N3H1b 0.700 1.640 3.231 19.549 15.506 1.261 possible 2247 291 A HIS CD2 5 C3H1s 0.770 1.760 2.980 18.790 21.085 0.891 [OK] 2248 291 A HIS CE1 5 C3H1s 0.770 1.760 2.901 18.447 20.636 0.894 [OK] 2249 291 A HIS NE2 13 N3H1b 0.700 1.640 2.721 10.709 15.337 0.698 [OK] 2250 292 A MET N 12 N3H1s 0.700 1.640 2.788 13.058 13.564 0.963 [OK] 2251 292 A MET CA 3 C4H1s 0.770 1.880 3.637 16.905 13.231 1.278 possible 2252 292 A MET C 1 C3H0s 0.770 1.610 2.894 9.979 8.782 1.136 [OK] 2253 292 A MET O 16 O1H0u 0.660 1.420 2.814 18.692 16.277 1.148 [OK] 2254 292 A MET CB 8 C4H2s 0.770 1.880 2.751 21.786 23.645 0.921 [OK] 2255 292 A MET CG 9 C4H2b 0.770 1.880 3.009 25.788 24.009 1.074 possible 2256 292 A MET SD 19 S2H0u 1.040 1.770 2.947 31.914 30.093 1.061 [OK] 2257 292 A MET CE 10 C4H3u 0.770 1.880 3.033 34.534 37.161 0.929 possible 2258 293 A PHE N 12 N3H1s 0.700 1.640 3.164 20.315 13.691 1.484 possible 2259 293 A PHE CA 3 C4H1s 0.770 1.880 2.876 13.836 13.449 1.029 [OK] 2260 293 A PHE C 1 C3H0s 0.770 1.610 2.923 9.936 8.753 1.135 [OK] 2261 293 A PHE O 16 O1H0u 0.660 1.420 3.228 28.623 16.151 1.772 possible 2262 293 A PHE CB 8 C4H2s 0.770 1.880 3.143 28.308 23.777 1.191 possible 2263 293 A PHE CG 2 C3H0b 0.770 1.610 2.639 9.994 9.721 1.028 [OK] 2264 293 A PHE CD1 5 C3H1s 0.770 1.760 2.770 19.526 20.405 0.957 [OK] 2265 293 A PHE CD2 6 C3H1b 0.770 1.760 2.981 19.185 21.051 0.911 [OK] 2266 293 A PHE CE1 6 C3H1b 0.770 1.760 3.002 22.383 21.580 1.037 possible 2267 293 A PHE CE2 6 C3H1b 0.770 1.760 2.837 21.228 21.680 0.979 [OK] 2268 293 A PHE CZ 6 C3H1b 0.770 1.760 2.995 20.189 21.666 0.932 [OK] 2269 294 A THR N 12 N3H1s 0.700 1.640 3.011 15.466 13.832 1.118 possible 2270 294 A THR CA 3 C4H1s 0.770 1.880 3.799 18.819 13.099 1.437 possible 2271 294 A THR C 1 C3H0s 0.770 1.610 3.423 10.894 8.738 1.247 possible 2272 294 A THR O 16 O1H0u 0.660 1.420 3.225 18.475 16.020 1.153 possible 2273 294 A THR CB 4 C4H1b 0.770 1.880 2.883 15.075 14.829 1.017 [OK] 2274 294 A THR OG1 17 O2H1u 0.660 1.460 3.138 22.488 18.123 1.241 possible 2275 294 A THR CG2 10 C4H3u 0.770 1.880 3.271 37.876 36.542 1.036 possible 2276 295 A VAL N 12 N3H1s 0.700 1.640 2.959 14.851 13.676 1.086 [OK] 2277 295 A VAL CA 3 C4H1s 0.770 1.880 2.693 13.034 13.123 0.993 [OK] 2278 295 A VAL C 1 C3H0s 0.770 1.610 2.736 9.408 8.563 1.099 [OK] 2279 295 A VAL O 16 O1H0u 0.660 1.420 2.458 17.229 16.181 1.065 [OK] 2280 295 A VAL CB 4 C4H1b 0.770 1.880 2.871 12.777 14.598 0.875 [OK] 2281 295 A VAL CG1 10 C4H3u 0.770 1.880 3.383 37.874 36.584 1.035 possible 2282 295 A VAL CG2 10 C4H3u 0.770 1.880 3.752 42.695 36.332 1.175 possible 2283 296 A GLY N 12 N3H1s 0.700 1.640 3.180 22.150 14.854 1.491 possible 2284 296 A GLY CA 8 C4H2s 0.770 1.880 3.094 24.457 23.688 1.032 possible 2285 296 A GLY C 2 C3H0b 0.770 1.610 2.698 10.765 9.840 1.094 [OK] 2286 296 A GLY O 16 O1H0u 0.660 1.420 3.507 24.680 16.391 1.506 possible 2287 297 A MET N 12 N3H1s 0.700 1.640 3.108 17.689 13.564 1.304 possible 2288 297 A MET CA 3 C4H1s 0.770 1.880 5.245 20.183 13.231 1.525 possible 2289 297 A MET C 1 C3H0s 0.770 1.610 2.939 9.624 8.782 1.096 [OK] 2290 297 A MET O 16 O1H0u 0.660 1.420 2.937 18.084 16.277 1.111 [OK] 2291 297 A MET CB 8 C4H2s 0.770 1.880 4.821 28.594 23.645 1.209 possible 2292 297 A MET CG 9 C4H2b 0.770 1.880 6.062 47.619 24.009 1.983 possible 2293 297 A MET SD 19 S2H0u 1.040 1.770 5.002 46.100 30.093 1.532 possible 2294 297 A MET CE 10 C4H3u 0.770 1.880 3.125 41.429 37.161 1.115 possible 2295 298 A ASP N 12 N3H1s 0.700 1.640 4.271 20.668 13.895 1.487 possible 2296 298 A ASP CA 3 C4H1s 0.770 1.880 3.374 15.743 13.377 1.177 possible 2297 298 A ASP C 1 C3H0s 0.770 1.610 2.320 8.000 8.816 0.907 [OK] 2298 298 A ASP O 16 O1H0u 0.660 1.420 2.485 15.632 16.091 0.971 [OK] 2299 298 A ASP CB 8 C4H2s 0.770 1.880 4.300 32.088 23.481 1.367 possible 2300 298 A ASP CG 2 C3H0b 0.770 1.610 3.829 11.492 9.422 1.220 possible 2301 298 A ASP OD1 16 O1H0u 0.660 1.420 5.528 44.210 15.505 2.851 possible 2302 298 A ASP OD2 16 O1H0u 0.660 1.420 37.373 -1.000 16.324 -1.000 bad 2303 299 A VAL N 12 N3H1s 0.700 1.640 3.210 19.767 13.676 1.445 possible 2304 299 A VAL CA 3 C4H1s 0.770 1.880 2.775 12.200 13.123 0.930 [OK] 2305 299 A VAL C 1 C3H0s 0.770 1.610 2.388 8.251 8.563 0.964 [OK] 2306 299 A VAL O 16 O1H0u 0.660 1.420 2.389 15.214 16.181 0.940 [OK] 2307 299 A VAL CB 4 C4H1b 0.770 1.880 2.970 15.458 14.598 1.059 [OK] 2308 299 A VAL CG1 10 C4H3u 0.770 1.880 6.242 79.084 36.584 2.162 possible 2309 299 A VAL CG2 10 C4H3u 0.770 1.880 3.170 36.999 36.332 1.018 possible 2310 300 A ASP N 12 N3H1s 0.700 1.640 3.471 15.750 13.895 1.133 possible 2311 300 A ASP CA 3 C4H1s 0.770 1.880 3.263 13.048 13.377 0.975 possible 2312 300 A ASP C 1 C3H0s 0.770 1.610 4.128 8.982 8.816 1.019 possible 2313 300 A ASP O 16 O1H0u 0.660 1.420 4.170 28.911 16.091 1.797 possible 2314 300 A ASP CB 8 C4H2s 0.770 1.880 6.110 59.275 23.481 2.524 possible 2315 300 A ASP CG 2 C3H0b 0.770 1.610 4.124 13.894 9.422 1.475 possible 2316 300 A ASP OD1 16 O1H0u 0.660 1.420 6.761 49.305 15.505 3.180 possible 2317 300 A ASP OD2 16 O1H0u 0.660 1.420 44.869 -1.000 16.324 -1.000 bad 2318 301 A THR N 12 N3H1s 0.700 1.640 4.307 14.761 13.832 1.067 possible 2319 301 A THR CA 3 C4H1s 0.770 1.880 5.605 18.858 13.099 1.440 possible 2320 301 A THR C 1 C3H0s 0.770 1.610 2.525 7.988 8.738 0.914 [OK] 2321 301 A THR O 16 O1H0u 0.660 1.420 2.663 15.738 16.020 0.982 [OK] 2322 301 A THR CB 4 C4H1b 0.770 1.880 11.995 -1.000 14.829 -1.000 bad 2323 301 A THR OG1 17 O2H1u 0.660 1.460 5.100 34.001 18.123 1.876 possible 2324 301 A THR CG2 10 C4H3u 0.770 1.880 32.246 -1.000 36.542 -1.000 bad 2325 302 A ARG N 12 N3H1s 0.700 1.640 2.638 13.176 13.650 0.965 [OK] 2326 302 A ARG CA 3 C4H1s 0.770 1.880 3.118 14.417 13.422 1.074 possible 2327 302 A ARG C 1 C3H0s 0.770 1.610 2.379 8.254 8.838 0.934 [OK] 2328 302 A ARG O 16 O1H0u 0.660 1.420 2.233 14.787 16.084 0.919 [OK] 2329 302 A ARG CB 8 C4H2s 0.770 1.880 2.814 23.009 23.088 0.997 [OK] 2330 302 A ARG CG 8 C4H2s 0.770 1.880 2.997 25.849 23.640 1.093 [OK] 2331 302 A ARG CD 8 C4H2s 0.770 1.880 3.431 27.541 23.300 1.182 possible 2332 302 A ARG NE 13 N3H1b 0.700 1.640 3.241 22.477 15.569 1.444 possible 2333 302 A ARG CZ 2 C3H0b 0.770 1.610 3.088 11.190 9.747 1.148 possible 2334 302 A ARG NH1 15 N3H2u 0.700 1.640 3.186 24.698 22.782 1.084 possible 2335 302 A ARG NH2 15 N3H2u 0.700 1.640 3.114 35.222 23.810 1.479 possible 2336 303 A ALA N 12 N3H1s 0.700 1.640 2.242 11.745 14.046 0.836 [OK] 2337 303 A ALA CA 4 C4H1b 0.770 1.880 2.590 12.967 14.063 0.922 [OK] 2338 303 A ALA C 1 C3H0s 0.770 1.610 4.116 9.099 8.900 1.022 possible 2339 303 A ALA O 16 O1H0u 0.660 1.420 4.101 19.510 16.188 1.205 possible 2340 303 A ALA CB 10 C4H3u 0.770 1.880 4.763 52.002 36.782 1.414 possible 2341 304 A TYR N 12 N3H1s 0.700 1.640 5.109 17.018 13.691 1.243 possible 2342 304 A TYR CA 3 C4H1s 0.770 1.880 7.731 28.885 13.330 2.167 possible 2343 304 A TYR C 1 C3H0s 0.770 1.610 2.208 7.677 8.770 0.875 [OK] 2344 304 A TYR O 16 O1H0u 0.660 1.420 2.812 15.054 16.124 0.934 [OK] 2345 304 A TYR CB 8 C4H2s 0.770 1.880 5.715 53.308 23.678 2.251 possible 2346 304 A TYR CG 2 C3H0b 0.770 1.610 5.855 19.239 9.732 1.977 possible 2347 304 A TYR CD1 5 C3H1s 0.770 1.760 5.820 74.036 20.171 3.670 possible 2348 304 A TYR CD2 5 C3H1s 0.770 1.760 6.836 34.768 20.728 1.677 possible 2349 304 A TYR CE1 5 C3H1s 0.770 1.760 6.838 92.898 20.675 4.493 possible 2350 304 A TYR CE2 5 C3H1s 0.770 1.760 5.667 34.327 20.810 1.650 possible 2351 304 A TYR CZ 2 C3H0b 0.770 1.610 5.426 16.023 9.926 1.614 possible 2352 304 A TYR OH 17 O2H1u 0.660 1.460 5.240 32.439 19.173 1.692 possible 2353 305 A PHE N 12 N3H1s 0.700 1.640 2.286 12.651 13.691 0.924 [OK] 2354 305 A PHE CA 3 C4H1s 0.770 1.880 3.014 13.806 13.449 1.027 possible 2355 305 A PHE C 1 C3H0s 0.770 1.610 2.279 8.739 8.753 0.998 [OK] 2356 305 A PHE O 16 O1H0u 0.660 1.420 2.703 18.580 16.151 1.150 [OK] 2357 305 A PHE CB 8 C4H2s 0.770 1.880 3.115 26.281 23.777 1.105 possible 2358 305 A PHE CG 2 C3H0b 0.770 1.610 2.561 9.021 9.721 0.928 [OK] 2359 305 A PHE CD1 5 C3H1s 0.770 1.760 2.909 20.356 20.405 0.998 [OK] 2360 305 A PHE CD2 6 C3H1b 0.770 1.760 2.985 19.005 21.051 0.903 [OK] 2361 305 A PHE CE1 6 C3H1b 0.770 1.760 3.120 20.120 21.580 0.932 possible 2362 305 A PHE CE2 6 C3H1b 0.770 1.760 6.019 49.014 21.680 2.261 possible 2363 305 A PHE CZ 6 C3H1b 0.770 1.760 4.918 32.447 21.666 1.498 possible 2364 306 A THR N 12 N3H1s 0.700 1.640 2.384 12.817 13.832 0.927 [OK] 2365 306 A THR CA 3 C4H1s 0.770 1.880 2.893 14.101 13.099 1.077 [OK] 2366 306 A THR C 1 C3H0s 0.770 1.610 2.455 8.225 8.738 0.941 [OK] 2367 306 A THR O 16 O1H0u 0.660 1.420 2.645 16.814 16.020 1.050 [OK] 2368 306 A THR CB 4 C4H1b 0.770 1.880 2.588 12.001 14.829 0.809 [OK] 2369 306 A THR OG1 17 O2H1u 0.660 1.460 2.895 29.486 18.123 1.627 [OK] 2370 306 A THR CG2 10 C4H3u 0.770 1.880 3.332 28.702 36.542 0.785 possible 2371 307 A SER N 12 N3H1s 0.700 1.640 2.722 13.279 14.103 0.942 [OK] 2372 307 A SER CA 3 C4H1s 0.770 1.880 4.063 17.098 13.476 1.269 possible 2373 307 A SER C 1 C3H0s 0.770 1.610 3.388 8.931 8.923 1.001 possible 2374 307 A SER O 16 O1H0u 0.660 1.420 3.931 23.904 16.179 1.477 possible 2375 307 A SER CB 8 C4H2s 0.770 1.880 6.222 71.283 23.884 2.985 possible 2376 307 A SER OG 17 O2H1u 0.660 1.460 6.429 72.535 18.732 3.872 possible 2377 308 A ALA N 12 N3H1s 0.700 1.640 4.261 16.357 14.046 1.165 possible 2378 308 A ALA CA 4 C4H1b 0.770 1.880 4.469 17.259 14.063 1.227 possible 2379 308 A ALA C 1 C3H0s 0.770 1.610 2.131 7.712 8.900 0.867 [OK] 2380 308 A ALA O 16 O1H0u 0.660 1.420 2.704 18.938 16.188 1.170 [OK] 2381 308 A ALA CB 10 C4H3u 0.770 1.880 4.154 47.282 36.782 1.285 possible 2382 309 A THR N 12 N3H1s 0.700 1.640 2.700 14.012 13.832 1.013 [OK] 2383 309 A THR CA 3 C4H1s 0.770 1.880 3.011 13.947 13.099 1.065 possible 2384 309 A THR C 1 C3H0s 0.770 1.610 2.555 7.860 8.738 0.900 [OK] 2385 309 A THR O 16 O1H0u 0.660 1.420 2.856 20.114 16.020 1.256 [OK] 2386 309 A THR CB 4 C4H1b 0.770 1.880 3.116 15.483 14.829 1.044 possible 2387 309 A THR OG1 17 O2H1u 0.660 1.460 2.790 17.461 18.123 0.963 [OK] 2388 309 A THR CG2 10 C4H3u 0.770 1.880 3.384 34.936 36.542 0.956 possible 2389 310 A MET N 12 N3H1s 0.700 1.640 2.560 12.973 13.564 0.956 [OK] 2390 310 A MET CA 3 C4H1s 0.770 1.880 2.902 12.906 13.231 0.975 [OK] 2391 310 A MET C 1 C3H0s 0.770 1.610 2.700 8.699 8.782 0.991 [OK] 2392 310 A MET O 16 O1H0u 0.660 1.420 2.653 16.089 16.277 0.988 [OK] 2393 310 A MET CB 8 C4H2s 0.770 1.880 3.725 26.202 23.645 1.108 possible 2394 310 A MET CG 9 C4H2b 0.770 1.880 3.097 23.209 24.009 0.967 possible 2395 310 A MET SD 19 S2H0u 1.040 1.770 3.079 36.965 30.093 1.228 possible 2396 310 A MET CE 10 C4H3u 0.770 1.880 4.317 46.112 37.161 1.241 possible 2397 311 A ILE N 12 N3H1s 0.700 1.640 2.834 14.266 13.633 1.046 [OK] 2398 311 A ILE CA 3 C4H1s 0.770 1.880 2.641 12.264 13.007 0.943 [OK] 2399 311 A ILE C 1 C3H0s 0.770 1.610 2.300 8.121 8.470 0.959 [OK] 2400 311 A ILE O 16 O1H0u 0.660 1.420 3.709 17.465 16.144 1.082 possible 2401 311 A ILE CB 4 C4H1b 0.770 1.880 4.668 21.980 14.227 1.545 possible 2402 311 A ILE CG1 9 C4H2b 0.770 1.880 3.183 22.912 24.187 0.947 possible 2403 311 A ILE CG2 10 C4H3u 0.770 1.880 4.837 76.224 35.961 2.120 possible 2404 311 A ILE CD1 10 C4H3u 0.770 1.880 5.307 72.895 38.377 1.899 possible 2405 312 A ILE N 12 N3H1s 0.700 1.640 2.548 13.830 13.633 1.014 [OK] 2406 312 A ILE CA 3 C4H1s 0.770 1.880 2.828 12.947 13.007 0.995 [OK] 2407 312 A ILE C 1 C3H0s 0.770 1.610 2.759 8.793 8.470 1.038 [OK] 2408 312 A ILE O 16 O1H0u 0.660 1.420 2.357 14.936 16.144 0.925 [OK] 2409 312 A ILE CB 4 C4H1b 0.770 1.880 3.313 17.611 14.227 1.238 possible 2410 312 A ILE CG1 9 C4H2b 0.770 1.880 3.057 23.625 24.187 0.977 possible 2411 312 A ILE CG2 10 C4H3u 0.770 1.880 3.143 38.646 35.961 1.075 possible 2412 312 A ILE CD1 10 C4H3u 0.770 1.880 3.264 41.537 38.377 1.082 possible 2413 313 A ALA N 12 N3H1s 0.700 1.640 3.053 15.183 14.046 1.081 possible 2414 313 A ALA CA 4 C4H1b 0.770 1.880 2.774 14.333 14.063 1.019 [OK] 2415 313 A ALA C 1 C3H0s 0.770 1.610 2.883 9.199 8.900 1.034 [OK] 2416 313 A ALA O 16 O1H0u 0.660 1.420 2.632 17.583 16.188 1.086 [OK] 2417 313 A ALA CB 10 C4H3u 0.770 1.880 3.177 38.319 36.782 1.042 possible 2418 314 A ILE N 12 N3H1s 0.700 1.640 2.957 13.791 13.633 1.012 [OK] 2419 314 A ILE CA 3 C4H1s 0.770 1.880 3.123 14.352 13.007 1.103 possible 2420 314 A ILE C 1 C3H0s 0.770 1.610 2.708 7.910 8.470 0.934 [OK] 2421 314 A ILE O 16 O1H0u 0.660 1.420 2.709 17.260 16.144 1.069 [OK] 2422 314 A ILE CB 4 C4H1b 0.770 1.880 4.156 13.961 14.227 0.981 possible 2423 314 A ILE CG1 9 C4H2b 0.770 1.880 3.177 24.893 24.187 1.029 possible 2424 314 A ILE CG2 10 C4H3u 0.770 1.880 5.042 51.926 35.961 1.444 possible 2425 314 A ILE CD1 10 C4H3u 0.770 1.880 4.879 67.905 38.377 1.769 possible 2426 315 A PRO N 11 N3H0u 0.700 1.640 2.711 8.490 8.823 0.962 [OK] 2427 315 A PRO CA 4 C4H1b 0.770 1.880 2.910 14.818 13.955 1.062 [OK] 2428 315 A PRO C 1 C3H0s 0.770 1.610 2.480 8.254 8.812 0.937 [OK] 2429 315 A PRO O 16 O1H0u 0.660 1.420 2.358 15.735 16.169 0.973 [OK] 2430 315 A PRO CB 9 C4H2b 0.770 1.880 3.061 24.267 25.563 0.949 possible 2431 315 A PRO CG 9 C4H2b 0.770 1.880 3.367 27.208 25.832 1.053 possible 2432 315 A PRO CD 8 C4H2s 0.770 1.880 5.126 33.870 23.836 1.421 possible 2433 316 A THR N 12 N3H1s 0.700 1.640 2.410 13.351 13.832 0.965 [OK] 2434 316 A THR CA 3 C4H1s 0.770 1.880 2.971 14.010 13.099 1.070 [OK] 2435 316 A THR C 1 C3H0s 0.770 1.610 2.233 8.208 8.738 0.939 [OK] 2436 316 A THR O 16 O1H0u 0.660 1.420 2.999 16.960 16.020 1.059 [OK] 2437 316 A THR CB 4 C4H1b 0.770 1.880 2.774 15.104 14.829 1.019 [OK] 2438 316 A THR OG1 17 O2H1u 0.660 1.460 3.218 23.138 18.123 1.277 possible 2439 316 A THR CG2 10 C4H3u 0.770 1.880 3.504 40.241 36.542 1.101 possible 2440 317 A GLY N 12 N3H1s 0.700 1.640 2.363 11.926 14.854 0.803 [OK] 2441 317 A GLY CA 8 C4H2s 0.770 1.880 3.204 25.529 23.688 1.078 possible 2442 317 A GLY C 2 C3H0b 0.770 1.610 2.920 10.384 9.840 1.055 [OK] 2443 317 A GLY O 16 O1H0u 0.660 1.420 2.540 15.122 16.391 0.923 [OK] 2444 318 A VAL N 12 N3H1s 0.700 1.640 2.876 14.232 13.676 1.041 [OK] 2445 318 A VAL CA 3 C4H1s 0.770 1.880 2.945 14.419 13.123 1.099 [OK] 2446 318 A VAL C 1 C3H0s 0.770 1.610 2.702 7.863 8.563 0.918 [OK] 2447 318 A VAL O 16 O1H0u 0.660 1.420 2.662 16.724 16.181 1.034 [OK] 2448 318 A VAL CB 4 C4H1b 0.770 1.880 3.236 16.958 14.598 1.162 possible 2449 318 A VAL CG1 10 C4H3u 0.770 1.880 3.594 41.213 36.584 1.127 possible 2450 318 A VAL CG2 10 C4H3u 0.770 1.880 3.379 40.454 36.332 1.113 possible 2451 319 A LYS N 12 N3H1s 0.700 1.640 2.725 13.133 13.675 0.960 [OK] 2452 319 A LYS CA 3 C4H1s 0.770 1.880 2.921 13.133 13.324 0.986 [OK] 2453 319 A LYS C 1 C3H0s 0.770 1.610 2.393 8.492 8.759 0.969 [OK] 2454 319 A LYS O 16 O1H0u 0.660 1.420 2.349 15.471 16.049 0.964 [OK] 2455 319 A LYS CB 8 C4H2s 0.770 1.880 3.448 27.361 22.904 1.195 possible 2456 319 A LYS CG 8 C4H2s 0.770 1.880 3.016 21.659 23.131 0.936 possible 2457 319 A LYS CD 8 C4H2s 0.770 1.880 3.110 27.194 23.837 1.141 possible 2458 319 A LYS CE 9 C4H2b 0.770 1.880 3.124 24.974 23.934 1.043 possible 2459 319 A LYS NZ 14 N4H3u 0.700 1.640 3.240 30.471 21.213 1.436 possible 2460 320 A VAL N 12 N3H1s 0.700 1.640 2.831 13.926 13.676 1.018 [OK] 2461 320 A VAL CA 3 C4H1s 0.770 1.880 2.777 12.239 13.123 0.933 [OK] 2462 320 A VAL C 1 C3H0s 0.770 1.610 2.386 7.516 8.563 0.878 [OK] 2463 320 A VAL O 16 O1H0u 0.660 1.420 2.380 16.425 16.181 1.015 [OK] 2464 320 A VAL CB 4 C4H1b 0.770 1.880 2.950 15.910 14.598 1.090 [OK] 2465 320 A VAL CG1 10 C4H3u 0.770 1.880 2.938 39.686 36.584 1.085 [OK] 2466 320 A VAL CG2 10 C4H3u 0.770 1.880 3.422 43.745 36.332 1.204 possible 2467 321 A PHE N 12 N3H1s 0.700 1.640 2.556 13.033 13.691 0.952 [OK] 2468 321 A PHE CA 3 C4H1s 0.770 1.880 2.970 12.628 13.449 0.939 [OK] 2469 321 A PHE C 1 C3H0s 0.770 1.610 2.303 8.835 8.753 1.009 [OK] 2470 321 A PHE O 16 O1H0u 0.660 1.420 3.337 17.544 16.151 1.086 possible 2471 321 A PHE CB 8 C4H2s 0.770 1.880 3.272 22.942 23.777 0.965 possible 2472 321 A PHE CG 2 C3H0b 0.770 1.610 3.386 10.765 9.721 1.107 possible 2473 321 A PHE CD1 5 C3H1s 0.770 1.760 4.898 33.837 20.405 1.658 possible 2474 321 A PHE CD2 6 C3H1b 0.770 1.760 3.566 21.203 21.051 1.007 possible 2475 321 A PHE CE1 6 C3H1b 0.770 1.760 4.875 36.425 21.580 1.688 possible 2476 321 A PHE CE2 6 C3H1b 0.770 1.760 4.107 34.430 21.680 1.588 possible 2477 321 A PHE CZ 6 C3H1b 0.770 1.760 4.593 37.893 21.666 1.749 possible 2478 322 A SER N 12 N3H1s 0.700 1.640 2.539 12.797 14.103 0.907 [OK] 2479 322 A SER CA 3 C4H1s 0.770 1.880 2.641 13.345 13.476 0.990 [OK] 2480 322 A SER C 1 C3H0s 0.770 1.610 2.656 8.781 8.923 0.984 [OK] 2481 322 A SER O 16 O1H0u 0.660 1.420 2.726 15.726 16.179 0.972 [OK] 2482 322 A SER CB 8 C4H2s 0.770 1.880 3.069 22.916 23.884 0.959 possible 2483 322 A SER OG 17 O2H1u 0.660 1.460 2.837 27.057 18.732 1.444 [OK] 2484 323 A TRP N 12 N3H1s 0.700 1.640 2.668 13.404 13.791 0.972 [OK] 2485 323 A TRP CA 3 C4H1s 0.770 1.880 2.997 14.086 13.377 1.053 [OK] 2486 323 A TRP C 1 C3H0s 0.770 1.610 2.540 8.315 8.724 0.953 [OK] 2487 323 A TRP O 16 O1H0u 0.660 1.420 2.504 16.802 15.951 1.053 [OK] 2488 323 A TRP CB 8 C4H2s 0.770 1.880 2.849 24.721 24.004 1.030 [OK] 2489 323 A TRP CG 2 C3H0b 0.770 1.610 2.621 10.669 9.965 1.071 [OK] 2490 323 A TRP CD1 5 C3H1s 0.770 1.760 3.455 26.525 20.874 1.271 possible 2491 323 A TRP CD2 2 C3H0b 0.770 1.610 2.537 10.345 10.097 1.025 [OK] 2492 323 A TRP NE1 13 N3H1b 0.700 1.640 2.612 15.866 16.969 0.935 [OK] 2493 323 A TRP CE2 2 C3H0b 0.770 1.610 2.497 10.865 9.889 1.099 [OK] 2494 323 A TRP CE3 6 C3H1b 0.770 1.760 2.853 21.689 20.448 1.061 [OK] 2495 323 A TRP CZ2 6 C3H1b 0.770 1.760 2.899 21.855 21.012 1.040 [OK] 2496 323 A TRP CZ3 6 C3H1b 0.770 1.760 3.293 27.456 21.516 1.276 possible 2497 323 A TRP CH2 6 C3H1b 0.770 1.760 3.292 22.690 21.339 1.063 possible 2498 324 A LEU N 12 N3H1s 0.700 1.640 2.384 12.866 13.655 0.942 [OK] 2499 324 A LEU CA 3 C4H1s 0.770 1.880 2.855 13.611 13.122 1.037 [OK] 2500 324 A LEU C 1 C3H0s 0.770 1.610 3.700 9.219 8.825 1.045 possible 2501 324 A LEU O 16 O1H0u 0.660 1.420 3.470 17.692 16.208 1.092 possible 2502 324 A LEU CB 8 C4H2s 0.770 1.880 4.208 29.562 22.951 1.288 possible 2503 324 A LEU CG 4 C4H1b 0.770 1.880 2.995 15.978 14.764 1.082 [OK] 2504 324 A LEU CD1 10 C4H3u 0.770 1.880 3.032 35.867 37.425 0.958 possible 2505 324 A LEU CD2 10 C4H3u 0.770 1.880 3.482 41.637 37.143 1.121 possible 2506 325 A ALA N 12 N3H1s 0.700 1.640 4.039 15.097 14.046 1.075 possible 2507 325 A ALA CA 4 C4H1b 0.770 1.880 4.668 22.972 14.063 1.634 possible 2508 325 A ALA C 1 C3H0s 0.770 1.610 2.247 8.535 8.900 0.959 [OK] 2509 325 A ALA O 16 O1H0u 0.660 1.420 3.036 20.911 16.188 1.292 possible 2510 325 A ALA CB 10 C4H3u 0.770 1.880 4.576 48.442 36.782 1.317 possible 2511 326 A THR N 12 N3H1s 0.700 1.640 2.245 12.262 13.832 0.886 [OK] 2512 326 A THR CA 3 C4H1s 0.770 1.880 3.709 17.194 13.099 1.313 possible 2513 326 A THR C 1 C3H0s 0.770 1.610 2.578 7.945 8.738 0.909 [OK] 2514 326 A THR O 16 O1H0u 0.660 1.420 2.609 15.803 16.020 0.986 [OK] 2515 326 A THR CB 4 C4H1b 0.770 1.880 2.782 13.452 14.829 0.907 [OK] 2516 326 A THR OG1 17 O2H1u 0.660 1.460 3.014 22.854 18.123 1.261 possible 2517 326 A THR CG2 10 C4H3u 0.770 1.880 3.457 37.402 36.542 1.024 possible 2518 327 A LEU N 12 N3H1s 0.700 1.640 2.601 13.354 13.655 0.978 [OK] 2519 327 A LEU CA 3 C4H1s 0.770 1.880 2.684 13.921 13.122 1.061 [OK] 2520 327 A LEU C 1 C3H0s 0.770 1.610 2.337 8.547 8.825 0.968 [OK] 2521 327 A LEU O 16 O1H0u 0.660 1.420 2.945 20.762 16.208 1.281 [OK] 2522 327 A LEU CB 8 C4H2s 0.770 1.880 3.193 22.686 22.951 0.988 possible 2523 327 A LEU CG 4 C4H1b 0.770 1.880 2.951 14.621 14.764 0.990 [OK] 2524 327 A LEU CD1 10 C4H3u 0.770 1.880 3.034 42.387 37.425 1.133 possible 2525 327 A LEU CD2 10 C4H3u 0.770 1.880 3.017 33.382 37.143 0.899 possible 2526 328 A HIS N 12 N3H1s 0.700 1.640 2.370 13.314 13.715 0.971 [OK] 2527 328 A HIS CA 3 C4H1s 0.770 1.880 3.179 13.633 13.467 1.012 possible 2528 328 A HIS C 1 C3H0s 0.770 1.610 2.456 7.697 8.882 0.867 [OK] 2529 328 A HIS O 16 O1H0u 0.660 1.420 2.342 15.796 16.082 0.982 [OK] 2530 328 A HIS CB 8 C4H2s 0.770 1.880 3.974 23.872 23.653 1.009 possible 2531 328 A HIS CG 2 C3H0b 0.770 1.610 4.042 12.839 9.952 1.290 possible 2532 328 A HIS ND1 13 N3H1b 0.700 1.640 3.656 22.779 15.506 1.469 possible 2533 328 A HIS CD2 5 C3H1s 0.770 1.760 5.346 45.379 21.085 2.152 possible 2534 328 A HIS CE1 5 C3H1s 0.770 1.760 3.757 26.548 20.636 1.286 possible 2535 328 A HIS NE2 13 N3H1b 0.700 1.640 5.469 37.381 15.337 2.437 possible 2536 329 A GLY N 12 N3H1s 0.700 1.640 3.410 22.765 14.854 1.533 possible 2537 329 A GLY CA 8 C4H2s 0.770 1.880 3.484 24.288 23.688 1.025 possible 2538 329 A GLY C 2 C3H0b 0.770 1.610 2.905 10.401 9.840 1.057 [OK] 2539 329 A GLY O 16 O1H0u 0.660 1.420 2.377 15.479 16.391 0.944 [OK] 2540 330 A GLY N 12 N3H1s 0.700 1.640 3.317 15.520 14.854 1.045 possible 2541 330 A GLY CA 8 C4H2s 0.770 1.880 2.843 21.683 23.688 0.915 [OK] 2542 330 A GLY C 2 C3H0b 0.770 1.610 2.503 9.365 9.840 0.952 [OK] 2543 330 A GLY O 16 O1H0u 0.660 1.420 3.254 29.817 16.391 1.819 possible 2544 331 A ASN N 12 N3H1s 0.700 1.640 2.576 14.057 13.695 1.026 [OK] 2545 331 A ASN CA 3 C4H1s 0.770 1.880 3.242 14.993 13.167 1.139 possible 2546 331 A ASN C 1 C3H0s 0.770 1.610 2.542 8.430 8.928 0.944 [OK] 2547 331 A ASN O 16 O1H0u 0.660 1.420 3.190 23.884 16.199 1.474 possible 2548 331 A ASN CB 8 C4H2s 0.770 1.880 3.356 29.156 23.128 1.261 possible 2549 331 A ASN CG 2 C3H0b 0.770 1.610 2.995 10.693 9.599 1.114 [OK] 2550 331 A ASN OD1 16 O1H0u 0.660 1.420 4.653 35.432 16.664 2.126 possible 2551 331 A ASN ND2 15 N3H2u 0.700 1.640 5.220 47.218 23.083 2.046 possible 2552 332 A ILE N 12 N3H1s 0.700 1.640 4.143 23.433 13.633 1.719 possible 2553 332 A ILE CA 3 C4H1s 0.770 1.880 2.411 11.611 13.007 0.893 [OK] 2554 332 A ILE C 1 C3H0s 0.770 1.610 3.107 8.871 8.470 1.047 possible 2555 332 A ILE O 16 O1H0u 0.660 1.420 6.443 66.938 16.144 4.146 possible 2556 332 A ILE CB 4 C4H1b 0.770 1.880 4.798 24.551 14.227 1.726 possible 2557 332 A ILE CG1 9 C4H2b 0.770 1.880 4.139 37.638 24.187 1.556 possible 2558 332 A ILE CG2 10 C4H3u 0.770 1.880 3.169 37.664 35.961 1.047 possible 2559 332 A ILE CD1 10 C4H3u 0.770 1.880 3.188 36.091 38.377 0.940 possible 2560 333 A LYS N 12 N3H1s 0.700 1.640 3.067 14.644 13.675 1.071 possible 2561 333 A LYS CA 3 C4H1s 0.770 1.880 4.986 18.546 13.324 1.392 possible 2562 333 A LYS C 1 C3H0s 0.770 1.610 2.378 8.454 8.759 0.965 [OK] 2563 333 A LYS O 16 O1H0u 0.660 1.420 2.431 17.095 16.049 1.065 [OK] 2564 333 A LYS CB 8 C4H2s 0.770 1.880 4.860 37.780 22.904 1.649 possible 2565 333 A LYS CG 8 C4H2s 0.770 1.880 15.713 -1.000 23.131 -1.000 bad 2566 333 A LYS CD 8 C4H2s 0.770 1.880 34.069 -1.000 23.837 -1.000 bad 2567 333 A LYS CE 9 C4H2b 0.770 1.880 4.406 38.724 23.934 1.618 possible 2568 333 A LYS NZ 14 N4H3u 0.700 1.640 4.835 52.327 21.213 2.467 possible 2569 334 A TRP N 12 N3H1s 0.700 1.640 5.190 -1.000 13.791 -1.000 bad 2570 334 A TRP CA 3 C4H1s 0.770 1.880 3.128 15.725 13.377 1.176 possible 2571 334 A TRP C 1 C3H0s 0.770 1.610 3.190 11.420 8.724 1.309 possible 2572 334 A TRP O 16 O1H0u 0.660 1.420 4.745 28.054 15.951 1.759 possible 2573 334 A TRP CB 8 C4H2s 0.770 1.880 7.655 68.693 24.004 2.862 possible 2574 334 A TRP CG 2 C3H0b 0.770 1.610 0.753 -1.000 9.965 -1.000 bad 2575 334 A TRP CD1 5 C3H1s 0.770 1.760 20.824 -1.000 20.874 -1.000 bad 2576 334 A TRP CD2 2 C3H0b 0.770 1.610 1.821 -1.000 10.097 -1.000 bad 2577 334 A TRP NE1 13 N3H1b 0.700 1.640 18.002 -1.000 16.969 -1.000 bad 2578 334 A TRP CE2 2 C3H0b 0.770 1.610 1.662 -1.000 9.889 -1.000 bad 2579 334 A TRP CE3 6 C3H1b 0.770 1.760 7.430 33.339 20.448 1.630 possible 2580 334 A TRP CZ2 6 C3H1b 0.770 1.760 11.543 -1.000 21.012 -1.000 bad 2581 334 A TRP CZ3 6 C3H1b 0.770 1.760 15.824 -1.000 21.516 -1.000 bad 2582 334 A TRP CH2 6 C3H1b 0.770 1.760 13.915 -1.000 21.339 -1.000 bad 2583 335 A SER N 12 N3H1s 0.700 1.640 3.183 14.039 14.103 0.995 possible 2584 335 A SER CA 3 C4H1s 0.770 1.880 4.391 18.851 13.476 1.399 possible 2585 335 A SER C 1 C3H0s 0.770 1.610 2.624 9.219 8.923 1.033 [OK] 2586 335 A SER O 16 O1H0u 0.660 1.420 2.714 15.155 16.179 0.937 [OK] 2587 335 A SER CB 8 C4H2s 0.770 1.880 4.235 42.683 23.884 1.787 possible 2588 335 A SER OG 17 O2H1u 0.660 1.460 2.827 18.005 18.732 0.961 [OK] 2589 336 A PRO N 11 N3H0u 0.700 1.640 2.665 8.543 8.823 0.968 [OK] 2590 336 A PRO CA 4 C4H1b 0.770 1.880 3.152 17.183 13.955 1.231 possible 2591 336 A PRO C 1 C3H0s 0.770 1.610 2.391 8.415 8.812 0.955 [OK] 2592 336 A PRO O 16 O1H0u 0.660 1.420 2.654 14.325 16.169 0.886 [OK] 2593 336 A PRO CB 9 C4H2b 0.770 1.880 3.184 29.566 25.563 1.157 possible 2594 336 A PRO CG 9 C4H2b 0.770 1.880 4.304 36.022 25.832 1.394 possible 2595 336 A PRO CD 8 C4H2s 0.770 1.880 3.611 25.729 23.836 1.079 possible 2596 337 A ALA N 12 N3H1s 0.700 1.640 3.343 14.701 14.046 1.047 possible 2597 337 A ALA CA 4 C4H1b 0.770 1.880 2.580 13.385 14.063 0.952 [OK] 2598 337 A ALA C 1 C3H0s 0.770 1.610 2.397 8.066 8.900 0.906 [OK] 2599 337 A ALA O 16 O1H0u 0.660 1.420 2.751 16.483 16.188 1.018 [OK] 2600 337 A ALA CB 10 C4H3u 0.770 1.880 3.792 37.945 36.782 1.032 possible 2601 338 A MET N 12 N3H1s 0.700 1.640 2.433 13.158 13.564 0.970 [OK] 2602 338 A MET CA 3 C4H1s 0.770 1.880 2.779 13.682 13.231 1.034 [OK] 2603 338 A MET C 1 C3H0s 0.770 1.610 2.846 8.481 8.782 0.966 [OK] 2604 338 A MET O 16 O1H0u 0.660 1.420 2.536 14.900 16.277 0.915 [OK] 2605 338 A MET CB 8 C4H2s 0.770 1.880 3.150 23.235 23.645 0.983 possible 2606 338 A MET CG 9 C4H2b 0.770 1.880 3.166 28.390 24.009 1.182 possible 2607 338 A MET SD 19 S2H0u 1.040 1.770 3.003 31.912 30.093 1.060 possible 2608 338 A MET CE 10 C4H3u 0.770 1.880 2.973 35.618 37.161 0.958 [OK] 2609 339 A MET N 12 N3H1s 0.700 1.640 2.912 12.762 13.564 0.941 [OK] 2610 339 A MET CA 3 C4H1s 0.770 1.880 4.206 16.835 13.231 1.272 possible 2611 339 A MET C 1 C3H0s 0.770 1.610 2.210 8.076 8.782 0.920 [OK] 2612 339 A MET O 16 O1H0u 0.660 1.420 3.646 19.850 16.277 1.219 possible 2613 339 A MET CB 8 C4H2s 0.770 1.880 3.321 23.212 23.645 0.982 possible 2614 339 A MET CG 9 C4H2b 0.770 1.880 4.342 32.508 24.009 1.354 possible 2615 339 A MET SD 19 S2H0u 1.040 1.770 4.345 39.224 30.093 1.303 possible 2616 339 A MET CE 10 C4H3u 0.770 1.880 7.602 113.384 37.161 3.051 possible 2617 340 A TRP N 12 N3H1s 0.700 1.640 2.689 13.132 13.791 0.952 [OK] 2618 340 A TRP CA 3 C4H1s 0.770 1.880 2.901 13.799 13.377 1.032 [OK] 2619 340 A TRP C 1 C3H0s 0.770 1.610 3.030 8.789 8.724 1.007 possible 2620 340 A TRP O 16 O1H0u 0.660 1.420 2.697 18.805 15.951 1.179 [OK] 2621 340 A TRP CB 8 C4H2s 0.770 1.880 3.271 23.041 24.004 0.960 possible 2622 340 A TRP CG 2 C3H0b 0.770 1.610 2.506 9.851 9.965 0.989 [OK] 2623 340 A TRP CD1 5 C3H1s 0.770 1.760 2.921 21.964 20.874 1.052 [OK] 2624 340 A TRP CD2 2 C3H0b 0.770 1.610 2.414 9.358 10.097 0.927 [OK] 2625 340 A TRP NE1 13 N3H1b 0.700 1.640 3.151 26.641 16.969 1.570 possible 2626 340 A TRP CE2 2 C3H0b 0.770 1.610 2.660 9.394 9.889 0.950 [OK] 2627 340 A TRP CE3 6 C3H1b 0.770 1.760 2.711 19.964 20.448 0.976 [OK] 2628 340 A TRP CZ2 6 C3H1b 0.770 1.760 3.064 18.696 21.012 0.890 possible 2629 340 A TRP CZ3 6 C3H1b 0.770 1.760 3.153 22.736 21.516 1.057 possible 2630 340 A TRP CH2 6 C3H1b 0.770 1.760 3.155 22.722 21.339 1.065 possible 2631 341 A ALA N 12 N3H1s 0.700 1.640 3.044 14.200 14.046 1.011 possible 2632 341 A ALA CA 4 C4H1b 0.770 1.880 3.035 13.348 14.063 0.949 possible 2633 341 A ALA C 1 C3H0s 0.770 1.610 2.791 8.823 8.900 0.991 [OK] 2634 341 A ALA O 16 O1H0u 0.660 1.420 2.539 16.074 16.188 0.993 [OK] 2635 341 A ALA CB 10 C4H3u 0.770 1.880 3.194 38.316 36.782 1.042 possible 2636 342 A LEU N 12 N3H1s 0.700 1.640 2.874 13.465 13.655 0.986 [OK] 2637 342 A LEU CA 3 C4H1s 0.770 1.880 2.872 13.461 13.122 1.026 [OK] 2638 342 A LEU C 1 C3H0s 0.770 1.610 4.253 9.305 8.825 1.054 possible 2639 342 A LEU O 16 O1H0u 0.660 1.420 4.591 24.585 16.208 1.517 possible 2640 342 A LEU CB 8 C4H2s 0.770 1.880 6.382 46.843 22.951 2.041 possible 2641 342 A LEU CG 4 C4H1b 0.770 1.880 3.107 14.648 14.764 0.992 possible 2642 342 A LEU CD1 10 C4H3u 0.770 1.880 5.204 45.126 37.425 1.206 possible 2643 342 A LEU CD2 10 C4H3u 0.770 1.880 3.082 40.398 37.143 1.088 possible 2644 343 A GLY N 12 N3H1s 0.700 1.640 4.774 19.436 14.854 1.308 possible 2645 343 A GLY CA 8 C4H2s 0.770 1.880 5.135 40.562 23.688 1.712 possible 2646 343 A GLY C 2 C3H0b 0.770 1.610 2.447 9.008 9.840 0.915 [OK] 2647 343 A GLY O 16 O1H0u 0.660 1.420 2.832 15.672 16.391 0.956 [OK] 2648 344 A PHE N 12 N3H1s 0.700 1.640 2.462 13.519 13.691 0.987 [OK] 2649 344 A PHE CA 3 C4H1s 0.770 1.880 2.860 15.389 13.449 1.144 [OK] 2650 344 A PHE C 1 C3H0s 0.770 1.610 1.935 7.132 8.753 0.815 [OK] 2651 344 A PHE O 16 O1H0u 0.660 1.420 2.505 14.700 16.151 0.910 [OK] 2652 344 A PHE CB 8 C4H2s 0.770 1.880 3.080 23.527 23.777 0.989 possible 2653 344 A PHE CG 2 C3H0b 0.770 1.610 2.688 9.297 9.721 0.956 [OK] 2654 344 A PHE CD1 5 C3H1s 0.770 1.760 2.717 18.424 20.405 0.903 [OK] 2655 344 A PHE CD2 6 C3H1b 0.770 1.760 2.817 20.177 21.051 0.958 [OK] 2656 344 A PHE CE1 6 C3H1b 0.770 1.760 3.145 22.119 21.580 1.025 possible 2657 344 A PHE CE2 6 C3H1b 0.770 1.760 3.031 23.798 21.680 1.098 possible 2658 344 A PHE CZ 6 C3H1b 0.770 1.760 2.941 22.163 21.666 1.023 [OK] 2659 345 A ILE N 12 N3H1s 0.700 1.640 2.427 12.594 13.633 0.924 [OK] 2660 345 A ILE CA 3 C4H1s 0.770 1.880 3.297 15.146 13.007 1.164 possible 2661 345 A ILE C 1 C3H0s 0.770 1.610 2.585 7.481 8.470 0.883 [OK] 2662 345 A ILE O 16 O1H0u 0.660 1.420 2.826 19.156 16.144 1.187 [OK] 2663 345 A ILE CB 4 C4H1b 0.770 1.880 2.861 14.189 14.227 0.997 [OK] 2664 345 A ILE CG1 9 C4H2b 0.770 1.880 2.841 23.329 24.187 0.965 [OK] 2665 345 A ILE CG2 10 C4H3u 0.770 1.880 3.097 38.276 35.961 1.064 possible 2666 345 A ILE CD1 10 C4H3u 0.770 1.880 3.095 43.255 38.377 1.127 possible 2667 346 A PHE N 12 N3H1s 0.700 1.640 2.665 14.268 13.691 1.042 [OK] 2668 346 A PHE CA 3 C4H1s 0.770 1.880 2.864 14.417 13.449 1.072 [OK] 2669 346 A PHE C 1 C3H0s 0.770 1.610 2.421 8.513 8.753 0.973 [OK] 2670 346 A PHE O 16 O1H0u 0.660 1.420 2.759 15.881 16.151 0.983 [OK] 2671 346 A PHE CB 8 C4H2s 0.770 1.880 4.933 35.730 23.777 1.503 possible 2672 346 A PHE CG 2 C3H0b 0.770 1.610 3.119 10.251 9.721 1.055 possible 2673 346 A PHE CD1 5 C3H1s 0.770 1.760 3.094 23.940 20.405 1.173 possible 2674 346 A PHE CD2 6 C3H1b 0.770 1.760 4.710 32.116 21.051 1.526 possible 2675 346 A PHE CE1 6 C3H1b 0.770 1.760 3.127 24.374 21.580 1.129 possible 2676 346 A PHE CE2 6 C3H1b 0.770 1.760 21.721 -1.000 21.680 -1.000 bad 2677 346 A PHE CZ 6 C3H1b 0.770 1.760 14.033 -1.000 21.666 -1.000 bad 2678 347 A LEU N 12 N3H1s 0.700 1.640 2.525 12.398 13.655 0.908 [OK] 2679 347 A LEU CA 3 C4H1s 0.770 1.880 2.842 13.205 13.122 1.006 [OK] 2680 347 A LEU C 1 C3H0s 0.770 1.610 2.707 8.541 8.825 0.968 [OK] 2681 347 A LEU O 16 O1H0u 0.660 1.420 2.484 17.637 16.208 1.088 [OK] 2682 347 A LEU CB 8 C4H2s 0.770 1.880 2.970 22.562 22.951 0.983 [OK] 2683 347 A LEU CG 4 C4H1b 0.770 1.880 2.637 11.912 14.764 0.807 [OK] 2684 347 A LEU CD1 10 C4H3u 0.770 1.880 3.962 47.154 37.425 1.260 possible 2685 347 A LEU CD2 10 C4H3u 0.770 1.880 3.075 35.185 37.143 0.947 possible 2686 348 A PHE N 12 N3H1s 0.700 1.640 2.786 14.451 13.691 1.055 [OK] 2687 348 A PHE CA 3 C4H1s 0.770 1.880 2.994 16.916 13.449 1.258 [OK] 2688 348 A PHE C 1 C3H0s 0.770 1.610 2.160 7.691 8.753 0.879 [OK] 2689 348 A PHE O 16 O1H0u 0.660 1.420 2.483 16.643 16.151 1.030 [OK] 2690 348 A PHE CB 8 C4H2s 0.770 1.880 3.086 24.339 23.777 1.024 possible 2691 348 A PHE CG 2 C3H0b 0.770 1.610 2.449 9.261 9.721 0.953 [OK] 2692 348 A PHE CD1 5 C3H1s 0.770 1.760 2.762 22.809 20.405 1.118 [OK] 2693 348 A PHE CD2 6 C3H1b 0.770 1.760 3.203 25.735 21.051 1.223 possible 2694 348 A PHE CE1 6 C3H1b 0.770 1.760 3.101 22.314 21.580 1.034 possible 2695 348 A PHE CE2 6 C3H1b 0.770 1.760 3.331 24.235 21.680 1.118 possible 2696 348 A PHE CZ 6 C3H1b 0.770 1.760 3.592 27.703 21.666 1.279 possible 2697 349 A THR N 12 N3H1s 0.700 1.640 2.600 13.338 13.832 0.964 [OK] 2698 349 A THR CA 3 C4H1s 0.770 1.880 2.799 13.441 13.099 1.026 [OK] 2699 349 A THR C 1 C3H0s 0.770 1.610 2.504 8.209 8.738 0.939 [OK] 2700 349 A THR O 16 O1H0u 0.660 1.420 2.303 14.134 16.020 0.882 [OK] 2701 349 A THR CB 4 C4H1b 0.770 1.880 3.198 15.058 14.829 1.015 possible 2702 349 A THR OG1 17 O2H1u 0.660 1.460 2.660 21.792 18.123 1.202 [OK] 2703 349 A THR CG2 10 C4H3u 0.770 1.880 3.258 39.704 36.542 1.087 possible 2704 350 A VAL N 12 N3H1s 0.700 1.640 2.844 13.844 13.676 1.012 [OK] 2705 350 A VAL CA 3 C4H1s 0.770 1.880 3.605 16.273 13.123 1.240 possible 2706 350 A VAL C 1 C3H0s 0.770 1.610 2.595 7.448 8.563 0.870 [OK] 2707 350 A VAL O 16 O1H0u 0.660 1.420 3.239 18.762 16.181 1.159 possible 2708 350 A VAL CB 4 C4H1b 0.770 1.880 2.908 14.262 14.598 0.977 [OK] 2709 350 A VAL CG1 10 C4H3u 0.770 1.880 4.916 65.210 36.584 1.782 possible 2710 350 A VAL CG2 10 C4H3u 0.770 1.880 5.095 65.781 36.332 1.811 possible 2711 351 A GLY N 12 N3H1s 0.700 1.640 2.631 13.871 14.854 0.934 [OK] 2712 351 A GLY CA 8 C4H2s 0.770 1.880 3.437 25.597 23.688 1.081 possible 2713 351 A GLY C 2 C3H0b 0.770 1.610 2.202 8.444 9.840 0.858 [OK] 2714 351 A GLY O 16 O1H0u 0.660 1.420 2.528 15.772 16.391 0.962 [OK] 2715 352 A GLY N 12 N3H1s 0.700 1.640 2.650 13.233 14.854 0.891 [OK] 2716 352 A GLY CA 8 C4H2s 0.770 1.880 3.240 25.356 23.688 1.070 possible 2717 352 A GLY C 2 C3H0b 0.770 1.610 2.178 8.505 9.840 0.864 [OK] 2718 352 A GLY O 16 O1H0u 0.660 1.420 2.467 15.652 16.391 0.955 [OK] 2719 353 A LEU N 12 N3H1s 0.700 1.640 2.340 12.604 13.655 0.923 [OK] 2720 353 A LEU CA 3 C4H1s 0.770 1.880 2.866 13.565 13.122 1.034 [OK] 2721 353 A LEU C 1 C3H0s 0.770 1.610 2.889 8.693 8.825 0.985 [OK] 2722 353 A LEU O 16 O1H0u 0.660 1.420 2.985 18.378 16.208 1.134 [OK] 2723 353 A LEU CB 8 C4H2s 0.770 1.880 3.499 25.002 22.951 1.089 possible 2724 353 A LEU CG 4 C4H1b 0.770 1.880 3.237 15.439 14.764 1.046 possible 2725 353 A LEU CD1 10 C4H3u 0.770 1.880 3.557 39.545 37.425 1.057 possible 2726 353 A LEU CD2 10 C4H3u 0.770 1.880 3.541 37.278 37.143 1.004 possible 2727 354 A THR N 12 N3H1s 0.700 1.640 3.273 15.102 13.832 1.092 possible 2728 354 A THR CA 3 C4H1s 0.770 1.880 3.484 16.849 13.099 1.286 possible 2729 354 A THR C 1 C3H0s 0.770 1.610 2.307 7.832 8.738 0.896 [OK] 2730 354 A THR O 16 O1H0u 0.660 1.420 2.463 16.965 16.020 1.059 [OK] 2731 354 A THR CB 4 C4H1b 0.770 1.880 3.379 13.190 14.829 0.889 possible 2732 354 A THR OG1 17 O2H1u 0.660 1.460 4.026 35.932 18.123 1.983 possible 2733 354 A THR CG2 10 C4H3u 0.770 1.880 3.417 32.350 36.542 0.885 possible 2734 355 A GLY N 12 N3H1s 0.700 1.640 2.429 12.296 14.854 0.828 [OK] 2735 355 A GLY CA 8 C4H2s 0.770 1.880 2.869 22.023 23.688 0.930 [OK] 2736 355 A GLY C 2 C3H0b 0.770 1.610 2.418 8.951 9.840 0.910 [OK] 2737 355 A GLY O 16 O1H0u 0.660 1.420 2.297 14.959 16.391 0.913 [OK] 2738 356 A ILE N 12 N3H1s 0.700 1.640 2.461 11.917 13.633 0.874 [OK] 2739 356 A ILE CA 3 C4H1s 0.770 1.880 2.717 12.240 13.007 0.941 [OK] 2740 356 A ILE C 1 C3H0s 0.770 1.610 2.680 8.401 8.470 0.992 [OK] 2741 356 A ILE O 16 O1H0u 0.660 1.420 2.651 16.371 16.144 1.014 [OK] 2742 356 A ILE CB 4 C4H1b 0.770 1.880 3.446 15.139 14.227 1.064 possible 2743 356 A ILE CG1 9 C4H2b 0.770 1.880 2.741 24.025 24.187 0.993 [OK] 2744 356 A ILE CG2 10 C4H3u 0.770 1.880 3.646 45.694 35.961 1.271 possible 2745 356 A ILE CD1 10 C4H3u 0.770 1.880 3.336 40.193 38.377 1.047 possible 2746 357 A VAL N 12 N3H1s 0.700 1.640 2.928 14.103 13.676 1.031 [OK] 2747 357 A VAL CA 3 C4H1s 0.770 1.880 3.003 14.380 13.123 1.096 possible 2748 357 A VAL C 1 C3H0s 0.770 1.610 2.527 7.367 8.563 0.860 [OK] 2749 357 A VAL O 16 O1H0u 0.660 1.420 2.724 17.556 16.181 1.085 [OK] 2750 357 A VAL CB 4 C4H1b 0.770 1.880 2.696 13.569 14.598 0.929 [OK] 2751 357 A VAL CG1 10 C4H3u 0.770 1.880 3.184 37.715 36.584 1.031 possible 2752 357 A VAL CG2 10 C4H3u 0.770 1.880 3.544 44.824 36.332 1.234 possible 2753 358 A LEU N 12 N3H1s 0.700 1.640 2.521 13.612 13.655 0.997 [OK] 2754 358 A LEU CA 3 C4H1s 0.770 1.880 3.211 15.961 13.122 1.216 possible 2755 358 A LEU C 1 C3H0s 0.770 1.610 2.694 8.473 8.825 0.960 [OK] 2756 358 A LEU O 16 O1H0u 0.660 1.420 2.721 19.227 16.208 1.186 [OK] 2757 358 A LEU CB 8 C4H2s 0.770 1.880 2.687 20.995 22.951 0.915 [OK] 2758 358 A LEU CG 4 C4H1b 0.770 1.880 2.735 14.274 14.764 0.967 [OK] 2759 358 A LEU CD1 10 C4H3u 0.770 1.880 2.930 37.799 37.425 1.010 [OK] 2760 358 A LEU CD2 10 C4H3u 0.770 1.880 3.026 35.733 37.143 0.962 possible 2761 359 A ALA N 12 N3H1s 0.700 1.640 2.357 12.509 14.046 0.891 [OK] 2762 359 A ALA CA 4 C4H1b 0.770 1.880 2.991 13.894 14.063 0.988 [OK] 2763 359 A ALA C 1 C3H0s 0.770 1.610 2.886 9.332 8.900 1.049 [OK] 2764 359 A ALA O 16 O1H0u 0.660 1.420 2.712 17.455 16.188 1.078 [OK] 2765 359 A ALA CB 10 C4H3u 0.770 1.880 2.938 35.827 36.782 0.974 [OK] 2766 360 A ASN N 12 N3H1s 0.700 1.640 2.873 13.545 13.695 0.989 [OK] 2767 360 A ASN CA 3 C4H1s 0.770 1.880 3.049 15.064 13.167 1.144 possible 2768 360 A ASN C 1 C3H0s 0.770 1.610 2.627 9.070 8.928 1.016 [OK] 2769 360 A ASN O 16 O1H0u 0.660 1.420 2.619 15.126 16.199 0.934 [OK] 2770 360 A ASN CB 8 C4H2s 0.770 1.880 2.781 22.701 23.128 0.982 [OK] 2771 360 A ASN CG 2 C3H0b 0.770 1.610 2.645 8.957 9.599 0.933 [OK] 2772 360 A ASN OD1 16 O1H0u 0.660 1.420 2.827 20.566 16.664 1.234 [OK] 2773 360 A ASN ND2 15 N3H2u 0.700 1.640 2.864 26.739 23.083 1.158 [OK] 2774 361 A SER N 12 N3H1s 0.700 1.640 2.985 15.622 14.103 1.108 [OK] 2775 361 A SER CA 3 C4H1s 0.770 1.880 2.607 12.673 13.476 0.940 [OK] 2776 361 A SER C 1 C3H0s 0.770 1.610 3.037 8.906 8.923 0.998 possible 2777 361 A SER O 16 O1H0u 0.660 1.420 2.936 17.501 16.179 1.082 [OK] 2778 361 A SER CB 8 C4H2s 0.770 1.880 3.375 26.451 23.884 1.107 possible 2779 361 A SER OG 17 O2H1u 0.660 1.460 2.938 18.918 18.732 1.010 [OK] 2780 362 A SER N 12 N3H1s 0.700 1.640 3.066 15.544 14.103 1.102 possible 2781 362 A SER CA 3 C4H1s 0.770 1.880 3.209 16.002 13.476 1.187 possible 2782 362 A SER C 1 C3H0s 0.770 1.610 2.378 8.181 8.923 0.917 [OK] 2783 362 A SER O 16 O1H0u 0.660 1.420 2.703 18.049 16.179 1.116 [OK] 2784 362 A SER CB 8 C4H2s 0.770 1.880 3.137 23.729 23.884 0.993 possible 2785 362 A SER OG 17 O2H1u 0.660 1.460 2.753 23.589 18.732 1.259 [OK] 2786 363 A LEU N 12 N3H1s 0.700 1.640 2.643 13.308 13.655 0.975 [OK] 2787 363 A LEU CA 3 C4H1s 0.770 1.880 2.697 13.583 13.122 1.035 [OK] 2788 363 A LEU C 1 C3H0s 0.770 1.610 2.968 9.281 8.825 1.052 [OK] 2789 363 A LEU O 16 O1H0u 0.660 1.420 2.502 16.733 16.208 1.032 [OK] 2790 363 A LEU CB 8 C4H2s 0.770 1.880 3.227 23.522 22.951 1.025 possible 2791 363 A LEU CG 4 C4H1b 0.770 1.880 3.127 16.094 14.764 1.090 possible 2792 363 A LEU CD1 10 C4H3u 0.770 1.880 3.096 40.884 37.425 1.092 possible 2793 363 A LEU CD2 10 C4H3u 0.770 1.880 3.058 38.154 37.143 1.027 possible 2794 364 A ASP N 12 N3H1s 0.700 1.640 2.951 12.821 13.895 0.923 [OK] 2795 364 A ASP CA 3 C4H1s 0.770 1.880 3.102 14.671 13.377 1.097 possible 2796 364 A ASP C 1 C3H0s 0.770 1.610 2.770 9.284 8.816 1.053 [OK] 2797 364 A ASP O 16 O1H0u 0.660 1.420 2.562 14.083 16.091 0.875 [OK] 2798 364 A ASP CB 8 C4H2s 0.770 1.880 2.888 22.805 23.481 0.971 [OK] 2799 364 A ASP CG 2 C3H0b 0.770 1.610 2.718 9.465 9.422 1.005 [OK] 2800 364 A ASP OD1 16 O1H0u 0.660 1.420 2.475 16.748 15.505 1.080 [OK] 2801 364 A ASP OD2 16 O1H0u 0.660 1.420 2.869 22.906 16.324 1.403 [OK] 2802 365 A ILE N 12 N3H1s 0.700 1.640 2.810 14.084 13.633 1.033 [OK] 2803 365 A ILE CA 3 C4H1s 0.770 1.880 2.902 13.331 13.007 1.025 [OK] 2804 365 A ILE C 1 C3H0s 0.770 1.610 2.607 7.497 8.470 0.885 [OK] 2805 365 A ILE O 16 O1H0u 0.660 1.420 2.793 15.741 16.144 0.975 [OK] 2806 365 A ILE CB 4 C4H1b 0.770 1.880 3.353 16.196 14.227 1.138 possible 2807 365 A ILE CG1 9 C4H2b 0.770 1.880 3.254 21.680 24.187 0.896 possible 2808 365 A ILE CG2 10 C4H3u 0.770 1.880 4.090 42.372 35.961 1.178 possible 2809 365 A ILE CD1 10 C4H3u 0.770 1.880 4.117 56.824 38.377 1.481 possible 2810 366 A VAL N 12 N3H1s 0.700 1.640 2.771 13.834 13.676 1.012 [OK] 2811 366 A VAL CA 3 C4H1s 0.770 1.880 3.575 15.704 13.123 1.197 possible 2812 366 A VAL C 1 C3H0s 0.770 1.610 2.530 9.518 8.563 1.112 [OK] 2813 366 A VAL O 16 O1H0u 0.660 1.420 3.124 24.603 16.181 1.520 possible 2814 366 A VAL CB 4 C4H1b 0.770 1.880 3.528 19.768 14.598 1.354 possible 2815 366 A VAL CG1 10 C4H3u 0.770 1.880 3.210 38.479 36.584 1.052 possible 2816 366 A VAL CG2 10 C4H3u 0.770 1.880 3.623 46.436 36.332 1.278 possible 2817 367 A LEU N 12 N3H1s 0.700 1.640 2.383 13.583 13.655 0.995 [OK] 2818 367 A LEU CA 3 C4H1s 0.770 1.880 2.792 12.567 13.122 0.958 [OK] 2819 367 A LEU C 1 C3H0s 0.770 1.610 2.675 9.430 8.825 1.069 [OK] 2820 367 A LEU O 16 O1H0u 0.660 1.420 2.446 14.189 16.208 0.875 [OK] 2821 367 A LEU CB 8 C4H2s 0.770 1.880 2.944 23.061 22.951 1.005 [OK] 2822 367 A LEU CG 4 C4H1b 0.770 1.880 2.870 15.358 14.764 1.040 [OK] 2823 367 A LEU CD1 10 C4H3u 0.770 1.880 3.266 40.943 37.425 1.094 possible 2824 367 A LEU CD2 10 C4H3u 0.770 1.880 3.203 36.156 37.143 0.973 possible 2825 368 A HIS N 12 N3H1s 0.700 1.640 2.627 13.620 13.715 0.993 [OK] 2826 368 A HIS CA 3 C4H1s 0.770 1.880 2.777 12.483 13.467 0.927 [OK] 2827 368 A HIS C 1 C3H0s 0.770 1.610 2.052 7.193 8.882 0.810 [OK] 2828 368 A HIS O 16 O1H0u 0.660 1.420 2.951 14.713 16.082 0.915 [OK] 2829 368 A HIS CB 8 C4H2s 0.770 1.880 2.840 21.432 23.653 0.906 [OK] 2830 368 A HIS CG 2 C3H0b 0.770 1.610 2.976 9.861 9.952 0.991 [OK] 2831 368 A HIS ND1 13 N3H1b 0.700 1.640 3.150 20.000 15.506 1.290 possible 2832 368 A HIS CD2 5 C3H1s 0.770 1.760 3.036 22.319 21.085 1.059 possible 2833 368 A HIS CE1 5 C3H1s 0.770 1.760 4.064 39.299 20.636 1.904 possible 2834 368 A HIS NE2 13 N3H1b 0.700 1.640 3.414 15.384 15.337 1.003 possible 2835 369 A ASP N 12 N3H1s 0.700 1.640 3.106 17.573 13.895 1.265 possible 2836 369 A ASP CA 3 C4H1s 0.770 1.880 3.329 13.718 13.377 1.025 possible 2837 369 A ASP C 1 C3H0s 0.770 1.610 2.566 8.730 8.816 0.990 [OK] 2838 369 A ASP O 16 O1H0u 0.660 1.420 3.053 19.882 16.091 1.236 possible 2839 369 A ASP CB 8 C4H2s 0.770 1.880 2.973 22.397 23.481 0.954 [OK] 2840 369 A ASP CG 2 C3H0b 0.770 1.610 2.986 9.751 9.422 1.035 [OK] 2841 369 A ASP OD1 16 O1H0u 0.660 1.420 2.934 29.551 15.505 1.906 [OK] 2842 369 A ASP OD2 16 O1H0u 0.660 1.420 3.502 20.322 16.324 1.245 possible 2843 370 A THR N 12 N3H1s 0.700 1.640 2.402 12.278 13.832 0.888 [OK] 2844 370 A THR CA 3 C4H1s 0.770 1.880 2.755 13.023 13.099 0.994 [OK] 2845 370 A THR C 1 C3H0s 0.770 1.610 2.413 8.278 8.738 0.947 [OK] 2846 370 A THR O 16 O1H0u 0.660 1.420 2.252 14.403 16.020 0.899 [OK] 2847 370 A THR CB 4 C4H1b 0.770 1.880 2.822 14.496 14.829 0.978 [OK] 2848 370 A THR OG1 17 O2H1u 0.660 1.460 2.483 16.509 18.123 0.911 [OK] 2849 370 A THR CG2 10 C4H3u 0.770 1.880 4.113 49.143 36.542 1.345 possible 2850 371 A TYR N 12 N3H1s 0.700 1.640 2.462 13.609 13.691 0.994 [OK] 2851 371 A TYR CA 3 C4H1s 0.770 1.880 2.580 12.401 13.330 0.930 [OK] 2852 371 A TYR C 1 C3H0s 0.770 1.610 2.315 8.917 8.770 1.017 [OK] 2853 371 A TYR O 16 O1H0u 0.660 1.420 2.411 15.988 16.124 0.992 [OK] 2854 371 A TYR CB 8 C4H2s 0.770 1.880 2.815 23.588 23.678 0.996 [OK] 2855 371 A TYR CG 2 C3H0b 0.770 1.610 2.650 10.244 9.732 1.053 [OK] 2856 371 A TYR CD1 5 C3H1s 0.770 1.760 2.756 20.121 20.171 0.998 [OK] 2857 371 A TYR CD2 5 C3H1s 0.770 1.760 2.866 20.621 20.728 0.995 [OK] 2858 371 A TYR CE1 5 C3H1s 0.770 1.760 3.112 22.172 20.675 1.072 possible 2859 371 A TYR CE2 5 C3H1s 0.770 1.760 3.089 23.013 20.810 1.106 possible 2860 371 A TYR CZ 2 C3H0b 0.770 1.610 2.939 11.698 9.926 1.179 [OK] 2861 371 A TYR OH 17 O2H1u 0.660 1.460 2.800 21.393 19.173 1.116 [OK] 2862 372 A TYR N 12 N3H1s 0.700 1.640 2.469 11.801 13.691 0.862 [OK] 2863 372 A TYR CA 3 C4H1s 0.770 1.880 2.916 15.347 13.330 1.151 [OK] 2864 372 A TYR C 1 C3H0s 0.770 1.610 2.427 8.329 8.770 0.950 [OK] 2865 372 A TYR O 16 O1H0u 0.660 1.420 2.667 18.413 16.124 1.142 [OK] 2866 372 A TYR CB 8 C4H2s 0.770 1.880 2.913 24.123 23.678 1.019 [OK] 2867 372 A TYR CG 2 C3H0b 0.770 1.610 2.725 9.804 9.732 1.007 [OK] 2868 372 A TYR CD1 5 C3H1s 0.770 1.760 2.811 21.360 20.171 1.059 [OK] 2869 372 A TYR CD2 5 C3H1s 0.770 1.760 2.941 19.776 20.728 0.954 [OK] 2870 372 A TYR CE1 5 C3H1s 0.770 1.760 4.030 25.702 20.675 1.243 possible 2871 372 A TYR CE2 5 C3H1s 0.770 1.760 3.087 22.852 20.810 1.098 possible 2872 372 A TYR CZ 2 C3H0b 0.770 1.610 2.910 11.429 9.926 1.151 [OK] 2873 372 A TYR OH 17 O2H1u 0.660 1.460 3.643 35.662 19.173 1.860 possible 2874 373 A VAL N 12 N3H1s 0.700 1.640 2.615 12.938 13.676 0.946 [OK] 2875 373 A VAL CA 3 C4H1s 0.770 1.880 2.885 13.151 13.123 1.002 [OK] 2876 373 A VAL C 1 C3H0s 0.770 1.610 2.083 7.597 8.563 0.887 [OK] 2877 373 A VAL O 16 O1H0u 0.660 1.420 2.502 14.906 16.181 0.921 [OK] 2878 373 A VAL CB 4 C4H1b 0.770 1.880 2.947 15.151 14.598 1.038 [OK] 2879 373 A VAL CG1 10 C4H3u 0.770 1.880 3.159 35.088 36.584 0.959 possible 2880 373 A VAL CG2 10 C4H3u 0.770 1.880 3.047 34.220 36.332 0.942 possible 2881 374 A VAL N 12 N3H1s 0.700 1.640 2.517 13.831 13.676 1.011 [OK] 2882 374 A VAL CA 3 C4H1s 0.770 1.880 2.522 12.093 13.123 0.922 [OK] 2883 374 A VAL C 1 C3H0s 0.770 1.610 2.390 8.192 8.563 0.957 [OK] 2884 374 A VAL O 16 O1H0u 0.660 1.420 2.414 15.766 16.181 0.974 [OK] 2885 374 A VAL CB 4 C4H1b 0.770 1.880 2.816 13.450 14.598 0.921 [OK] 2886 374 A VAL CG1 10 C4H3u 0.770 1.880 3.022 32.926 36.584 0.900 possible 2887 374 A VAL CG2 10 C4H3u 0.770 1.880 3.320 36.625 36.332 1.008 possible 2888 375 A ALA N 12 N3H1s 0.700 1.640 2.613 13.828 14.046 0.984 [OK] 2889 375 A ALA CA 4 C4H1b 0.770 1.880 2.923 16.400 14.063 1.166 [OK] 2890 375 A ALA C 1 C3H0s 0.770 1.610 2.721 8.689 8.900 0.976 [OK] 2891 375 A ALA O 16 O1H0u 0.660 1.420 2.861 17.378 16.188 1.074 [OK] 2892 375 A ALA CB 10 C4H3u 0.770 1.880 3.033 38.397 36.782 1.044 possible 2893 376 A HIS N 12 N3H1s 0.700 1.640 2.919 15.611 13.715 1.138 [OK] 2894 376 A HIS CA 3 C4H1s 0.770 1.880 3.323 14.436 13.467 1.072 possible 2895 376 A HIS C 1 C3H0s 0.770 1.610 2.346 7.419 8.882 0.835 [OK] 2896 376 A HIS O 16 O1H0u 0.660 1.420 2.332 15.432 16.082 0.960 [OK] 2897 376 A HIS CB 8 C4H2s 0.770 1.880 2.956 21.303 23.653 0.901 [OK] 2898 376 A HIS CG 2 C3H0b 0.770 1.610 2.487 9.457 9.952 0.950 [OK] 2899 376 A HIS ND1 13 N3H1b 0.700 1.640 2.510 15.185 15.506 0.979 [OK] 2900 376 A HIS CD2 5 C3H1s 0.770 1.760 2.850 20.702 21.085 0.982 [OK] 2901 376 A HIS CE1 5 C3H1s 0.770 1.760 2.844 19.473 20.636 0.944 [OK] 2902 376 A HIS NE2 13 N3H1b 0.700 1.640 2.511 9.916 15.337 0.647 [OK] 2903 377 A PHE N 12 N3H1s 0.700 1.640 2.416 12.914 13.691 0.943 [OK] 2904 377 A PHE CA 3 C4H1s 0.770 1.880 2.644 11.630 13.449 0.865 [OK] 2905 377 A PHE C 1 C3H0s 0.770 1.610 2.276 7.950 8.753 0.908 [OK] 2906 377 A PHE O 16 O1H0u 0.660 1.420 2.657 14.602 16.151 0.904 [OK] 2907 377 A PHE CB 8 C4H2s 0.770 1.880 2.692 18.876 23.777 0.794 [OK] 2908 377 A PHE CG 2 C3H0b 0.770 1.610 2.350 9.337 9.721 0.961 [OK] 2909 377 A PHE CD1 5 C3H1s 0.770 1.760 2.973 21.152 20.405 1.037 [OK] 2910 377 A PHE CD2 6 C3H1b 0.770 1.760 2.758 16.483 21.051 0.783 [OK] 2911 377 A PHE CE1 6 C3H1b 0.770 1.760 2.672 16.244 21.580 0.753 [OK] 2912 377 A PHE CE2 6 C3H1b 0.770 1.760 2.904 19.699 21.680 0.909 [OK] 2913 377 A PHE CZ 6 C3H1b 0.770 1.760 3.096 21.502 21.666 0.992 possible 2914 378 A HIS N 12 N3H1s 0.700 1.640 2.314 12.778 13.715 0.932 [OK] 2915 378 A HIS CA 3 C4H1s 0.770 1.880 2.863 13.357 13.467 0.992 [OK] 2916 378 A HIS C 1 C3H0s 0.770 1.610 2.762 9.245 8.882 1.041 [OK] 2917 378 A HIS O 16 O1H0u 0.660 1.420 2.570 15.280 16.082 0.950 [OK] 2918 378 A HIS CB 8 C4H2s 0.770 1.880 2.862 22.802 23.653 0.964 [OK] 2919 378 A HIS CG 2 C3H0b 0.770 1.610 2.779 8.885 9.952 0.893 [OK] 2920 378 A HIS ND1 13 N3H1b 0.700 1.640 2.726 15.326 15.506 0.988 [OK] 2921 378 A HIS CD2 5 C3H1s 0.770 1.760 2.946 21.559 21.085 1.022 [OK] 2922 378 A HIS CE1 5 C3H1s 0.770 1.760 2.835 16.360 20.636 0.793 [OK] 2923 378 A HIS NE2 13 N3H1b 0.700 1.640 2.718 9.664 15.337 0.630 [OK] 2924 379 A TYR N 12 N3H1s 0.700 1.640 2.721 12.706 13.691 0.928 [OK] 2925 379 A TYR CA 3 C4H1s 0.770 1.880 2.801 13.219 13.330 0.992 [OK] 2926 379 A TYR C 1 C3H0s 0.770 1.610 2.702 9.031 8.770 1.030 [OK] 2927 379 A TYR O 16 O1H0u 0.660 1.420 2.455 18.295 16.124 1.135 [OK] 2928 379 A TYR CB 8 C4H2s 0.770 1.880 3.192 22.487 23.678 0.950 possible 2929 379 A TYR CG 2 C3H0b 0.770 1.610 3.100 11.671 9.732 1.199 possible 2930 379 A TYR CD1 5 C3H1s 0.770 1.760 3.169 22.790 20.171 1.130 possible 2931 379 A TYR CD2 5 C3H1s 0.770 1.760 2.868 19.874 20.728 0.959 [OK] 2932 379 A TYR CE1 5 C3H1s 0.770 1.760 2.987 21.284 20.675 1.029 [OK] 2933 379 A TYR CE2 5 C3H1s 0.770 1.760 3.888 24.121 20.810 1.159 possible 2934 379 A TYR CZ 2 C3H0b 0.770 1.610 2.899 10.848 9.926 1.093 [OK] 2935 379 A TYR OH 17 O2H1u 0.660 1.460 4.198 30.260 19.173 1.578 possible 2936 380 A VAL N 12 N3H1s 0.700 1.640 2.725 13.412 13.676 0.981 [OK] 2937 380 A VAL CA 3 C4H1s 0.770 1.880 2.873 14.474 13.123 1.103 [OK] 2938 380 A VAL C 1 C3H0s 0.770 1.610 2.341 8.876 8.563 1.036 [OK] 2939 380 A VAL O 16 O1H0u 0.660 1.420 2.457 17.142 16.181 1.059 [OK] 2940 380 A VAL CB 4 C4H1b 0.770 1.880 2.909 15.062 14.598 1.032 [OK] 2941 380 A VAL CG1 10 C4H3u 0.770 1.880 3.243 39.220 36.584 1.072 possible 2942 380 A VAL CG2 10 C4H3u 0.770 1.880 2.737 27.903 36.332 0.768 [OK] 2943 381 A LEU N 12 N3H1s 0.700 1.640 2.335 13.226 13.655 0.969 [OK] 2944 381 A LEU CA 3 C4H1s 0.770 1.880 2.657 12.651 13.122 0.964 [OK] 2945 381 A LEU C 1 C3H0s 0.770 1.610 2.321 9.019 8.825 1.022 [OK] 2946 381 A LEU O 16 O1H0u 0.660 1.420 2.502 16.694 16.208 1.030 [OK] 2947 381 A LEU CB 8 C4H2s 0.770 1.880 3.086 22.133 22.951 0.964 possible 2948 381 A LEU CG 4 C4H1b 0.770 1.880 2.715 13.767 14.764 0.932 [OK] 2949 381 A LEU CD1 10 C4H3u 0.770 1.880 3.197 40.262 37.425 1.076 possible 2950 381 A LEU CD2 10 C4H3u 0.770 1.880 3.116 34.975 37.143 0.942 possible 2951 382 A SER N 12 N3H1s 0.700 1.640 2.733 14.241 14.103 1.010 [OK] 2952 382 A SER CA 3 C4H1s 0.770 1.880 2.733 13.340 13.476 0.990 [OK] 2953 382 A SER C 1 C3H0s 0.770 1.610 2.537 8.965 8.923 1.005 [OK] 2954 382 A SER O 16 O1H0u 0.660 1.420 2.808 20.662 16.179 1.277 [OK] 2955 382 A SER CB 8 C4H2s 0.770 1.880 2.849 24.731 23.884 1.035 [OK] 2956 382 A SER OG 17 O2H1u 0.660 1.460 2.549 19.978 18.732 1.067 [OK] 2957 383 A MET N 12 N3H1s 0.700 1.640 2.327 12.378 13.564 0.913 [OK] 2958 383 A MET CA 3 C4H1s 0.770 1.880 2.681 12.468 13.231 0.942 [OK] 2959 383 A MET C 1 C3H0s 0.770 1.610 2.445 9.195 8.782 1.047 [OK] 2960 383 A MET O 16 O1H0u 0.660 1.420 2.474 20.244 16.277 1.244 [OK] 2961 383 A MET CB 8 C4H2s 0.770 1.880 2.887 20.636 23.645 0.873 [OK] 2962 383 A MET CG 9 C4H2b 0.770 1.880 2.784 21.194 24.009 0.883 [OK] 2963 383 A MET SD 19 S2H0u 1.040 1.770 2.967 31.139 30.093 1.035 [OK] 2964 383 A MET CE 10 C4H3u 0.770 1.880 3.013 30.844 37.161 0.830 possible 2965 384 A GLY N 12 N3H1s 0.700 1.640 2.551 15.053 14.854 1.013 [OK] 2966 384 A GLY CA 8 C4H2s 0.770 1.880 2.897 24.844 23.688 1.049 [OK] 2967 384 A GLY C 2 C3H0b 0.770 1.610 2.619 8.986 9.840 0.913 [OK] 2968 384 A GLY O 16 O1H0u 0.660 1.420 2.499 14.125 16.391 0.862 [OK] 2969 385 A ALA N 12 N3H1s 0.700 1.640 2.684 13.905 14.046 0.990 [OK] 2970 385 A ALA CA 4 C4H1b 0.770 1.880 3.237 18.060 14.063 1.284 possible 2971 385 A ALA C 1 C3H0s 0.770 1.610 2.678 8.270 8.900 0.929 [OK] 2972 385 A ALA O 16 O1H0u 0.660 1.420 2.595 16.090 16.188 0.994 [OK] 2973 385 A ALA CB 10 C4H3u 0.770 1.880 3.024 43.368 36.782 1.179 possible 2974 386 A VAL N 12 N3H1s 0.700 1.640 2.694 13.905 13.676 1.017 [OK] 2975 386 A VAL CA 3 C4H1s 0.770 1.880 3.146 13.236 13.123 1.009 possible 2976 386 A VAL C 1 C3H0s 0.770 1.610 2.403 8.058 8.563 0.941 [OK] 2977 386 A VAL O 16 O1H0u 0.660 1.420 2.745 15.970 16.181 0.987 [OK] 2978 386 A VAL CB 4 C4H1b 0.770 1.880 2.714 13.784 14.598 0.944 [OK] 2979 386 A VAL CG1 10 C4H3u 0.770 1.880 3.382 45.852 36.584 1.253 possible 2980 386 A VAL CG2 10 C4H3u 0.770 1.880 3.371 39.294 36.332 1.082 possible 2981 387 A PHE N 12 N3H1s 0.700 1.640 2.583 13.447 13.691 0.982 [OK] 2982 387 A PHE CA 3 C4H1s 0.770 1.880 2.843 13.134 13.449 0.977 [OK] 2983 387 A PHE C 1 C3H0s 0.770 1.610 2.697 9.007 8.753 1.029 [OK] 2984 387 A PHE O 16 O1H0u 0.660 1.420 2.818 18.898 16.151 1.170 [OK] 2985 387 A PHE CB 8 C4H2s 0.770 1.880 2.856 24.296 23.777 1.022 [OK] 2986 387 A PHE CG 2 C3H0b 0.770 1.610 2.432 9.458 9.721 0.973 [OK] 2987 387 A PHE CD1 5 C3H1s 0.770 1.760 3.105 18.991 20.405 0.931 possible 2988 387 A PHE CD2 6 C3H1b 0.770 1.760 2.877 21.649 21.051 1.028 [OK] 2989 387 A PHE CE1 6 C3H1b 0.770 1.760 3.210 23.175 21.580 1.074 possible 2990 387 A PHE CE2 6 C3H1b 0.770 1.760 2.826 22.089 21.680 1.019 [OK] 2991 387 A PHE CZ 6 C3H1b 0.770 1.760 3.153 25.419 21.666 1.173 possible 2992 388 A ALA N 12 N3H1s 0.700 1.640 2.621 13.803 14.046 0.983 [OK] 2993 388 A ALA CA 4 C4H1b 0.770 1.880 3.140 15.596 14.063 1.109 possible 2994 388 A ALA C 1 C3H0s 0.770 1.610 2.357 8.179 8.900 0.919 [OK] 2995 388 A ALA O 16 O1H0u 0.660 1.420 2.691 18.313 16.188 1.131 [OK] 2996 388 A ALA CB 10 C4H3u 0.770 1.880 3.157 39.508 36.782 1.074 possible 2997 389 A ILE N 12 N3H1s 0.700 1.640 2.727 13.555 13.633 0.994 [OK] 2998 389 A ILE CA 3 C4H1s 0.770 1.880 2.898 14.944 13.007 1.149 [OK] 2999 389 A ILE C 1 C3H0s 0.770 1.610 2.146 7.510 8.470 0.887 [OK] 3000 389 A ILE O 16 O1H0u 0.660 1.420 2.672 16.625 16.144 1.030 [OK] 3001 389 A ILE CB 4 C4H1b 0.770 1.880 3.192 13.960 14.227 0.981 possible 3002 389 A ILE CG1 9 C4H2b 0.770 1.880 2.973 24.070 24.187 0.995 [OK] 3003 389 A ILE CG2 10 C4H3u 0.770 1.880 3.382 38.337 35.961 1.066 possible 3004 389 A ILE CD1 10 C4H3u 0.770 1.880 3.343 39.111 38.377 1.019 possible 3005 390 A MET N 12 N3H1s 0.700 1.640 2.540 12.975 13.564 0.957 [OK] 3006 390 A MET CA 3 C4H1s 0.770 1.880 3.114 13.218 13.231 0.999 possible 3007 390 A MET C 1 C3H0s 0.770 1.610 2.275 8.679 8.782 0.988 [OK] 3008 390 A MET O 16 O1H0u 0.660 1.420 2.836 16.682 16.277 1.025 [OK] 3009 390 A MET CB 8 C4H2s 0.770 1.880 3.292 23.388 23.645 0.989 possible 3010 390 A MET CG 9 C4H2b 0.770 1.880 3.289 26.659 24.009 1.110 possible 3011 390 A MET SD 19 S2H0u 1.040 1.770 3.546 40.401 30.093 1.343 possible 3012 390 A MET CE 10 C4H3u 0.770 1.880 3.292 41.102 37.161 1.106 possible 3013 391 A GLY N 12 N3H1s 0.700 1.640 2.463 13.555 14.854 0.913 [OK] 3014 391 A GLY CA 8 C4H2s 0.770 1.880 3.276 27.385 23.688 1.156 possible 3015 391 A GLY C 2 C3H0b 0.770 1.610 2.473 8.252 9.840 0.839 [OK] 3016 391 A GLY O 16 O1H0u 0.660 1.420 2.319 14.654 16.391 0.894 [OK] 3017 392 A GLY N 12 N3H1s 0.700 1.640 2.591 13.565 14.854 0.913 [OK] 3018 392 A GLY CA 8 C4H2s 0.770 1.880 2.944 25.023 23.688 1.056 [OK] 3019 392 A GLY C 2 C3H0b 0.770 1.610 2.213 8.322 9.840 0.846 [OK] 3020 392 A GLY O 16 O1H0u 0.660 1.420 2.665 15.402 16.391 0.940 [OK] 3021 393 A PHE N 12 N3H1s 0.700 1.640 2.354 12.369 13.691 0.903 [OK] 3022 393 A PHE CA 3 C4H1s 0.770 1.880 3.089 14.417 13.449 1.072 possible 3023 393 A PHE C 1 C3H0s 0.770 1.610 2.190 8.067 8.753 0.922 [OK] 3024 393 A PHE O 16 O1H0u 0.660 1.420 2.675 16.936 16.151 1.049 [OK] 3025 393 A PHE CB 8 C4H2s 0.770 1.880 3.138 25.187 23.777 1.059 possible 3026 393 A PHE CG 2 C3H0b 0.770 1.610 2.677 9.986 9.721 1.027 [OK] 3027 393 A PHE CD1 5 C3H1s 0.770 1.760 3.081 26.156 20.405 1.282 possible 3028 393 A PHE CD2 6 C3H1b 0.770 1.760 3.671 29.300 21.051 1.392 possible 3029 393 A PHE CE1 6 C3H1b 0.770 1.760 5.150 44.966 21.580 2.084 possible 3030 393 A PHE CE2 6 C3H1b 0.770 1.760 3.759 30.084 21.680 1.388 possible 3031 393 A PHE CZ 6 C3H1b 0.770 1.760 4.736 27.821 21.666 1.284 possible 3032 394 A VAL N 12 N3H1s 0.700 1.640 2.383 12.374 13.676 0.905 [OK] 3033 394 A VAL CA 3 C4H1s 0.770 1.880 2.799 12.943 13.123 0.986 [OK] 3034 394 A VAL C 1 C3H0s 0.770 1.610 2.695 8.670 8.563 1.012 [OK] 3035 394 A VAL O 16 O1H0u 0.660 1.420 3.875 35.691 16.181 2.206 possible 3036 394 A VAL CB 4 C4H1b 0.770 1.880 3.418 16.605 14.598 1.137 possible 3037 394 A VAL CG1 10 C4H3u 0.770 1.880 3.935 55.904 36.584 1.528 possible 3038 394 A VAL CG2 10 C4H3u 0.770 1.880 3.658 32.241 36.332 0.887 possible 3039 395 A HIS N 12 N3H1s 0.700 1.640 2.708 12.718 13.715 0.927 [OK] 3040 395 A HIS CA 3 C4H1s 0.770 1.880 3.293 15.466 13.467 1.148 possible 3041 395 A HIS C 1 C3H0s 0.770 1.610 2.319 8.144 8.882 0.917 [OK] 3042 395 A HIS O 16 O1H0u 0.660 1.420 3.566 23.553 16.082 1.465 possible 3043 395 A HIS CB 8 C4H2s 0.770 1.880 2.889 23.133 23.653 0.978 [OK] 3044 395 A HIS CG 2 C3H0b 0.770 1.610 2.693 10.130 9.952 1.018 [OK] 3045 395 A HIS ND1 13 N3H1b 0.700 1.640 3.508 15.492 15.506 0.999 possible 3046 395 A HIS CD2 5 C3H1s 0.770 1.760 2.978 21.918 21.085 1.039 [OK] 3047 395 A HIS CE1 5 C3H1s 0.770 1.760 3.759 23.647 20.636 1.146 possible 3048 395 A HIS NE2 13 N3H1b 0.700 1.640 3.419 28.562 15.337 1.862 possible 3049 396 A TRP N 12 N3H1s 0.700 1.640 2.432 12.938 13.791 0.938 [OK] 3050 396 A TRP CA 3 C4H1s 0.770 1.880 2.623 12.807 13.377 0.957 [OK] 3051 396 A TRP C 1 C3H0s 0.770 1.610 2.673 8.785 8.724 1.007 [OK] 3052 396 A TRP O 16 O1H0u 0.660 1.420 2.356 14.473 15.951 0.907 [OK] 3053 396 A TRP CB 8 C4H2s 0.770 1.880 3.058 22.963 24.004 0.957 possible 3054 396 A TRP CG 2 C3H0b 0.770 1.610 2.588 10.062 9.965 1.010 [OK] 3055 396 A TRP CD1 5 C3H1s 0.770 1.760 2.676 20.537 20.874 0.984 [OK] 3056 396 A TRP CD2 2 C3H0b 0.770 1.610 2.607 9.598 10.097 0.951 [OK] 3057 396 A TRP NE1 13 N3H1b 0.700 1.640 2.650 17.030 16.969 1.004 [OK] 3058 396 A TRP CE2 2 C3H0b 0.770 1.610 2.489 9.170 9.889 0.927 [OK] 3059 396 A TRP CE3 6 C3H1b 0.770 1.760 2.672 18.761 20.448 0.917 [OK] 3060 396 A TRP CZ2 6 C3H1b 0.770 1.760 3.463 25.438 21.012 1.211 possible 3061 396 A TRP CZ3 6 C3H1b 0.770 1.760 2.926 22.372 21.516 1.040 [OK] 3062 396 A TRP CH2 6 C3H1b 0.770 1.760 3.022 27.206 21.339 1.275 possible 3063 397 A PHE N 12 N3H1s 0.700 1.640 2.845 13.880 13.691 1.014 [OK] 3064 397 A PHE CA 3 C4H1s 0.770 1.880 3.141 15.637 13.449 1.163 possible 3065 397 A PHE C 1 C3H0s 0.770 1.610 2.206 7.650 8.753 0.874 [OK] 3066 397 A PHE O 16 O1H0u 0.660 1.420 2.684 15.241 16.151 0.944 [OK] 3067 397 A PHE CB 8 C4H2s 0.770 1.880 2.944 22.884 23.777 0.962 [OK] 3068 397 A PHE CG 2 C3H0b 0.770 1.610 2.640 9.674 9.721 0.995 [OK] 3069 397 A PHE CD1 5 C3H1s 0.770 1.760 4.196 27.327 20.405 1.339 possible 3070 397 A PHE CD2 6 C3H1b 0.770 1.760 2.859 19.965 21.051 0.948 [OK] 3071 397 A PHE CE1 6 C3H1b 0.770 1.760 4.982 38.465 21.580 1.782 possible 3072 397 A PHE CE2 6 C3H1b 0.770 1.760 2.840 21.195 21.680 0.978 [OK] 3073 397 A PHE CZ 6 C3H1b 0.770 1.760 3.123 25.693 21.666 1.186 possible 3074 398 A PRO N 11 N3H0u 0.700 1.640 2.355 7.999 8.823 0.907 [OK] 3075 398 A PRO CA 4 C4H1b 0.770 1.880 2.655 13.670 13.955 0.980 [OK] 3076 398 A PRO C 1 C3H0s 0.770 1.610 2.576 8.957 8.812 1.016 [OK] 3077 398 A PRO O 16 O1H0u 0.660 1.420 2.392 15.284 16.169 0.945 [OK] 3078 398 A PRO CB 9 C4H2b 0.770 1.880 3.249 29.671 25.563 1.161 possible 3079 398 A PRO CG 9 C4H2b 0.770 1.880 4.284 47.606 25.832 1.843 possible 3080 398 A PRO CD 8 C4H2s 0.770 1.880 3.027 22.875 23.836 0.960 possible 3081 399 A LEU N 12 N3H1s 0.700 1.640 2.442 13.290 13.655 0.973 [OK] 3082 399 A LEU CA 3 C4H1s 0.770 1.880 2.577 13.082 13.122 0.997 [OK] 3083 399 A LEU C 1 C3H0s 0.770 1.610 2.498 8.048 8.825 0.912 [OK] 3084 399 A LEU O 16 O1H0u 0.660 1.420 2.348 16.549 16.208 1.021 [OK] 3085 399 A LEU CB 8 C4H2s 0.770 1.880 2.772 21.439 22.951 0.934 [OK] 3086 399 A LEU CG 4 C4H1b 0.770 1.880 2.813 15.450 14.764 1.046 [OK] 3087 399 A LEU CD1 10 C4H3u 0.770 1.880 3.063 36.736 37.425 0.982 possible 3088 399 A LEU CD2 10 C4H3u 0.770 1.880 2.988 36.328 37.143 0.978 [OK] 3089 400 A PHE N 12 N3H1s 0.700 1.640 2.391 12.681 13.691 0.926 [OK] 3090 400 A PHE CA 3 C4H1s 0.770 1.880 2.685 12.466 13.449 0.927 [OK] 3091 400 A PHE C 1 C3H0s 0.770 1.610 3.264 9.024 8.753 1.031 possible 3092 400 A PHE O 16 O1H0u 0.660 1.420 3.476 23.638 16.151 1.464 possible 3093 400 A PHE CB 8 C4H2s 0.770 1.880 4.835 43.762 23.777 1.841 possible 3094 400 A PHE CG 2 C3H0b 0.770 1.610 2.843 10.625 9.721 1.093 [OK] 3095 400 A PHE CD1 5 C3H1s 0.770 1.760 2.629 18.060 20.405 0.885 [OK] 3096 400 A PHE CD2 6 C3H1b 0.770 1.760 4.061 29.150 21.051 1.385 possible 3097 400 A PHE CE1 6 C3H1b 0.770 1.760 2.836 20.461 21.580 0.948 [OK] 3098 400 A PHE CE2 6 C3H1b 0.770 1.760 3.101 25.950 21.680 1.197 possible 3099 400 A PHE CZ 6 C3H1b 0.770 1.760 3.091 22.923 21.666 1.058 possible 3100 401 A SER N 12 N3H1s 0.700 1.640 2.985 14.174 14.103 1.005 [OK] 3101 401 A SER CA 3 C4H1s 0.770 1.880 3.550 17.294 13.476 1.283 possible 3102 401 A SER C 1 C3H0s 0.770 1.610 2.575 8.951 8.923 1.003 [OK] 3103 401 A SER O 16 O1H0u 0.660 1.420 3.028 22.192 16.179 1.372 possible 3104 401 A SER CB 8 C4H2s 0.770 1.880 4.218 34.506 23.884 1.445 possible 3105 401 A SER OG 17 O2H1u 0.660 1.460 2.563 17.393 18.732 0.929 [OK] 3106 402 A GLY N 12 N3H1s 0.700 1.640 2.505 13.654 14.854 0.919 [OK] 3107 402 A GLY CA 8 C4H2s 0.770 1.880 2.704 20.829 23.688 0.879 [OK] 3108 402 A GLY C 2 C3H0b 0.770 1.610 2.493 9.959 9.840 1.012 [OK] 3109 402 A GLY O 16 O1H0u 0.660 1.420 3.000 18.143 16.391 1.107 possible 3110 403 A TYR N 12 N3H1s 0.700 1.640 2.410 13.611 13.691 0.994 [OK] 3111 403 A TYR CA 3 C4H1s 0.770 1.880 2.722 11.901 13.330 0.893 [OK] 3112 403 A TYR C 1 C3H0s 0.770 1.610 2.590 9.206 8.770 1.050 [OK] 3113 403 A TYR O 16 O1H0u 0.660 1.420 2.482 16.631 16.124 1.031 [OK] 3114 403 A TYR CB 8 C4H2s 0.770 1.880 3.223 28.169 23.678 1.190 possible 3115 403 A TYR CG 2 C3H0b 0.770 1.610 2.563 10.113 9.732 1.039 [OK] 3116 403 A TYR CD1 5 C3H1s 0.770 1.760 2.701 18.995 20.171 0.942 [OK] 3117 403 A TYR CD2 5 C3H1s 0.770 1.760 3.118 22.525 20.728 1.087 possible 3118 403 A TYR CE1 5 C3H1s 0.770 1.760 3.241 21.000 20.675 1.016 possible 3119 403 A TYR CE2 5 C3H1s 0.770 1.760 3.123 24.427 20.810 1.174 possible 3120 403 A TYR CZ 2 C3H0b 0.770 1.610 2.585 9.547 9.926 0.962 [OK] 3121 403 A TYR OH 17 O2H1u 0.660 1.460 4.052 30.012 19.173 1.565 possible 3122 404 A THR N 12 N3H1s 0.700 1.640 2.791 14.462 13.832 1.046 [OK] 3123 404 A THR CA 3 C4H1s 0.770 1.880 3.051 13.599 13.099 1.038 possible 3124 404 A THR C 1 C3H0s 0.770 1.610 2.453 9.703 8.738 1.110 [OK] 3125 404 A THR O 16 O1H0u 0.660 1.420 2.679 18.252 16.020 1.139 [OK] 3126 404 A THR CB 4 C4H1b 0.770 1.880 4.651 23.412 14.829 1.579 possible 3127 404 A THR OG1 17 O2H1u 0.660 1.460 5.201 30.604 18.123 1.689 possible 3128 404 A THR CG2 10 C4H3u 0.770 1.880 4.142 48.869 36.542 1.337 possible 3129 405 A LEU N 12 N3H1s 0.700 1.640 3.813 20.267 13.655 1.484 possible 3130 405 A LEU CA 3 C4H1s 0.770 1.880 3.206 14.813 13.122 1.129 possible 3131 405 A LEU C 1 C3H0s 0.770 1.610 2.499 8.702 8.825 0.986 [OK] 3132 405 A LEU O 16 O1H0u 0.660 1.420 5.319 36.945 16.208 2.279 possible 3133 405 A LEU CB 8 C4H2s 0.770 1.880 3.962 29.935 22.951 1.304 possible 3134 405 A LEU CG 4 C4H1b 0.770 1.880 3.484 15.179 14.764 1.028 possible 3135 405 A LEU CD1 10 C4H3u 0.770 1.880 3.809 47.741 37.425 1.276 possible 3136 405 A LEU CD2 10 C4H3u 0.770 1.880 3.676 42.519 37.143 1.145 possible 3137 406 A ASN N 12 N3H1s 0.700 1.640 3.069 20.082 13.695 1.466 possible 3138 406 A ASN CA 3 C4H1s 0.770 1.880 5.342 21.175 13.167 1.608 possible 3139 406 A ASN C 1 C3H0s 0.770 1.610 2.648 7.890 8.928 0.884 [OK] 3140 406 A ASN O 16 O1H0u 0.660 1.420 2.589 17.000 16.199 1.049 [OK] 3141 406 A ASN CB 8 C4H2s 0.770 1.880 3.285 26.620 23.128 1.151 possible 3142 406 A ASN CG 2 C3H0b 0.770 1.610 5.011 11.304 9.599 1.178 possible 3143 406 A ASN OD1 16 O1H0u 0.660 1.420 6.557 33.063 16.664 1.984 possible 3144 406 A ASN ND2 15 N3H2u 0.700 1.640 30.892 -1.000 23.083 -1.000 bad 3145 407 A ASP N 12 N3H1s 0.700 1.640 6.953 32.107 13.895 2.311 possible 3146 407 A ASP CA 3 C4H1s 0.770 1.880 2.951 13.301 13.377 0.994 [OK] 3147 407 A ASP C 1 C3H0s 0.770 1.610 2.674 8.731 8.816 0.990 [OK] 3148 407 A ASP O 16 O1H0u 0.660 1.420 2.403 15.696 16.091 0.975 [OK] 3149 407 A ASP CB 8 C4H2s 0.770 1.880 17.415 -1.000 23.481 -1.000 bad 3150 407 A ASP CG 2 C3H0b 0.770 1.610 5.185 14.186 9.422 1.506 possible 3151 407 A ASP OD1 16 O1H0u 0.660 1.420 3.887 40.526 15.505 2.614 possible 3152 407 A ASP OD2 16 O1H0u 0.660 1.420 6.957 89.192 16.324 5.464 possible 3153 408 A THR N 12 N3H1s 0.700 1.640 3.743 16.294 13.832 1.178 possible 3154 408 A THR CA 3 C4H1s 0.770 1.880 2.828 13.697 13.099 1.046 [OK] 3155 408 A THR C 1 C3H0s 0.770 1.610 2.432 8.103 8.738 0.927 [OK] 3156 408 A THR O 16 O1H0u 0.660 1.420 2.370 14.692 16.020 0.917 [OK] 3157 408 A THR CB 4 C4H1b 0.770 1.880 4.631 21.974 14.829 1.482 possible 3158 408 A THR OG1 17 O2H1u 0.660 1.460 7.591 51.146 18.123 2.822 possible 3159 408 A THR CG2 10 C4H3u 0.770 1.880 4.711 48.895 36.542 1.338 possible 3160 409 A TRP N 12 N3H1s 0.700 1.640 3.167 15.488 13.791 1.123 possible 3161 409 A TRP CA 3 C4H1s 0.770 1.880 2.925 13.353 13.377 0.998 [OK] 3162 409 A TRP C 1 C3H0s 0.770 1.610 2.089 7.753 8.724 0.889 [OK] 3163 409 A TRP O 16 O1H0u 0.660 1.420 2.404 14.574 15.951 0.914 [OK] 3164 409 A TRP CB 8 C4H2s 0.770 1.880 3.285 24.611 24.004 1.025 possible 3165 409 A TRP CG 2 C3H0b 0.770 1.610 3.336 12.352 9.965 1.240 possible 3166 409 A TRP CD1 5 C3H1s 0.770 1.760 3.819 27.066 20.874 1.297 possible 3167 409 A TRP CD2 2 C3H0b 0.770 1.610 3.417 12.645 10.097 1.252 possible 3168 409 A TRP NE1 13 N3H1b 0.700 1.640 4.329 30.259 16.969 1.783 possible 3169 409 A TRP CE2 2 C3H0b 0.770 1.610 4.104 13.872 9.889 1.403 possible 3170 409 A TRP CE3 6 C3H1b 0.770 1.760 3.002 21.891 20.448 1.071 possible 3171 409 A TRP CZ2 6 C3H1b 0.770 1.760 6.184 60.785 21.012 2.893 possible 3172 409 A TRP CZ3 6 C3H1b 0.770 1.760 3.087 22.497 21.516 1.046 possible 3173 409 A TRP CH2 6 C3H1b 0.770 1.760 6.935 60.415 21.339 2.831 possible 3174 410 A ALA N 12 N3H1s 0.700 1.640 2.668 14.118 14.046 1.005 [OK] 3175 410 A ALA CA 4 C4H1b 0.770 1.880 3.735 16.214 14.063 1.153 possible 3176 410 A ALA C 1 C3H0s 0.770 1.610 2.368 8.344 8.900 0.938 [OK] 3177 410 A ALA O 16 O1H0u 0.660 1.420 2.886 20.478 16.188 1.265 [OK] 3178 410 A ALA CB 10 C4H3u 0.770 1.880 3.855 47.786 36.782 1.299 possible 3179 411 A LYS N 12 N3H1s 0.700 1.640 2.479 12.551 13.675 0.918 [OK] 3180 411 A LYS CA 3 C4H1s 0.770 1.880 3.155 15.531 13.324 1.166 possible 3181 411 A LYS C 1 C3H0s 0.770 1.610 2.157 8.237 8.759 0.940 [OK] 3182 411 A LYS O 16 O1H0u 0.660 1.420 3.429 19.311 16.049 1.203 possible 3183 411 A LYS CB 8 C4H2s 0.770 1.880 3.545 25.920 22.904 1.132 possible 3184 411 A LYS CG 8 C4H2s 0.770 1.880 2.983 23.043 23.131 0.996 [OK] 3185 411 A LYS CD 8 C4H2s 0.770 1.880 4.279 33.168 23.837 1.391 possible 3186 411 A LYS CE 9 C4H2b 0.770 1.880 3.391 28.236 23.934 1.180 possible 3187 411 A LYS NZ 14 N4H3u 0.700 1.640 5.966 75.112 21.213 3.541 possible 3188 412 A ILE N 12 N3H1s 0.700 1.640 2.302 12.129 13.633 0.890 [OK] 3189 412 A ILE CA 3 C4H1s 0.770 1.880 2.884 14.756 13.007 1.134 [OK] 3190 412 A ILE C 1 C3H0s 0.770 1.610 2.370 7.793 8.470 0.920 [OK] 3191 412 A ILE O 16 O1H0u 0.660 1.420 2.286 15.136 16.144 0.938 [OK] 3192 412 A ILE CB 4 C4H1b 0.770 1.880 2.778 13.073 14.227 0.919 [OK] 3193 412 A ILE CG1 9 C4H2b 0.770 1.880 2.726 21.695 24.187 0.897 [OK] 3194 412 A ILE CG2 10 C4H3u 0.770 1.880 2.800 34.799 35.961 0.968 [OK] 3195 412 A ILE CD1 10 C4H3u 0.770 1.880 4.256 45.146 38.377 1.176 possible 3196 413 A HIS N 12 N3H1s 0.700 1.640 2.436 12.798 13.715 0.933 [OK] 3197 413 A HIS CA 3 C4H1s 0.770 1.880 3.094 15.682 13.467 1.164 possible 3198 413 A HIS C 1 C3H0s 0.770 1.610 2.259 7.707 8.882 0.868 [OK] 3199 413 A HIS O 16 O1H0u 0.660 1.420 2.604 17.321 16.082 1.077 [OK] 3200 413 A HIS CB 8 C4H2s 0.770 1.880 3.139 21.958 23.653 0.928 possible 3201 413 A HIS CG 2 C3H0b 0.770 1.610 2.908 10.473 9.952 1.052 [OK] 3202 413 A HIS ND1 13 N3H1b 0.700 1.640 2.849 19.207 15.506 1.239 [OK] 3203 413 A HIS CD2 5 C3H1s 0.770 1.760 3.775 31.822 21.085 1.509 possible 3204 413 A HIS CE1 5 C3H1s 0.770 1.760 3.345 23.207 20.636 1.125 possible 3205 413 A HIS NE2 13 N3H1b 0.700 1.640 3.400 21.974 15.337 1.433 possible 3206 414 A PHE N 12 N3H1s 0.700 1.640 2.651 13.439 13.691 0.982 [OK] 3207 414 A PHE CA 3 C4H1s 0.770 1.880 2.599 13.265 13.449 0.986 [OK] 3208 414 A PHE C 1 C3H0s 0.770 1.610 2.088 7.385 8.753 0.844 [OK] 3209 414 A PHE O 16 O1H0u 0.660 1.420 2.740 16.372 16.151 1.014 [OK] 3210 414 A PHE CB 8 C4H2s 0.770 1.880 3.156 27.964 23.777 1.176 possible 3211 414 A PHE CG 2 C3H0b 0.770 1.610 2.753 9.412 9.721 0.968 [OK] 3212 414 A PHE CD1 5 C3H1s 0.770 1.760 3.130 21.526 20.405 1.055 possible 3213 414 A PHE CD2 6 C3H1b 0.770 1.760 4.474 26.786 21.051 1.272 possible 3214 414 A PHE CE1 6 C3H1b 0.770 1.760 2.998 24.200 21.580 1.121 [OK] 3215 414 A PHE CE2 6 C3H1b 0.770 1.760 20.221 -1.000 21.680 -1.000 bad 3216 414 A PHE CZ 6 C3H1b 0.770 1.760 5.708 40.185 21.666 1.855 possible 3217 415 A ALA N 12 N3H1s 0.700 1.640 2.716 12.914 14.046 0.919 [OK] 3218 415 A ALA CA 4 C4H1b 0.770 1.880 4.549 20.042 14.063 1.425 possible 3219 415 A ALA C 1 C3H0s 0.770 1.610 2.866 8.894 8.900 0.999 [OK] 3220 415 A ALA O 16 O1H0u 0.660 1.420 3.925 21.304 16.188 1.316 possible 3221 415 A ALA CB 10 C4H3u 0.770 1.880 6.240 84.445 36.782 2.296 possible 3222 416 A ILE N 12 N3H1s 0.700 1.640 2.836 13.755 13.633 1.009 [OK] 3223 416 A ILE CA 3 C4H1s 0.770 1.880 2.977 15.315 13.007 1.177 [OK] 3224 416 A ILE C 1 C3H0s 0.770 1.610 2.456 7.701 8.470 0.909 [OK] 3225 416 A ILE O 16 O1H0u 0.660 1.420 2.492 16.055 16.144 0.995 [OK] 3226 416 A ILE CB 4 C4H1b 0.770 1.880 3.035 14.365 14.227 1.010 possible 3227 416 A ILE CG1 9 C4H2b 0.770 1.880 2.953 23.834 24.187 0.985 [OK] 3228 416 A ILE CG2 10 C4H3u 0.770 1.880 3.310 35.945 35.961 1.000 possible 3229 416 A ILE CD1 10 C4H3u 0.770 1.880 3.094 38.784 38.377 1.011 possible 3230 417 A MET N 12 N3H1s 0.700 1.640 2.460 12.961 13.564 0.956 [OK] 3231 417 A MET CA 3 C4H1s 0.770 1.880 2.926 15.070 13.231 1.139 [OK] 3232 417 A MET C 1 C3H0s 0.770 1.610 2.626 8.077 8.782 0.920 [OK] 3233 417 A MET O 16 O1H0u 0.660 1.420 2.477 15.850 16.277 0.974 [OK] 3234 417 A MET CB 8 C4H2s 0.770 1.880 3.086 24.152 23.645 1.021 possible 3235 417 A MET CG 9 C4H2b 0.770 1.880 3.287 26.760 24.009 1.115 possible 3236 417 A MET SD 19 S2H0u 1.040 1.770 3.323 32.554 30.093 1.082 possible 3237 417 A MET CE 10 C4H3u 0.770 1.880 3.561 51.990 37.161 1.399 possible 3238 418 A PHE N 12 N3H1s 0.700 1.640 3.022 13.748 13.691 1.004 possible 3239 418 A PHE CA 3 C4H1s 0.770 1.880 3.119 15.481 13.449 1.151 possible 3240 418 A PHE C 1 C3H0s 0.770 1.610 2.286 8.092 8.753 0.924 [OK] 3241 418 A PHE O 16 O1H0u 0.660 1.420 3.301 17.200 16.151 1.065 possible 3242 418 A PHE CB 8 C4H2s 0.770 1.880 3.601 26.353 23.777 1.108 possible 3243 418 A PHE CG 2 C3H0b 0.770 1.610 3.158 10.784 9.721 1.109 possible 3244 418 A PHE CD1 5 C3H1s 0.770 1.760 3.304 23.804 20.405 1.167 possible 3245 418 A PHE CD2 6 C3H1b 0.770 1.760 7.085 48.951 21.051 2.325 possible 3246 418 A PHE CE1 6 C3H1b 0.770 1.760 4.826 31.577 21.580 1.463 possible 3247 418 A PHE CE2 6 C3H1b 0.770 1.760 31.060 -1.000 21.680 -1.000 bad 3248 418 A PHE CZ 6 C3H1b 0.770 1.760 7.573 85.923 21.666 3.966 possible 3249 419 A VAL N 12 N3H1s 0.700 1.640 2.525 12.615 13.676 0.922 [OK] 3250 419 A VAL CA 3 C4H1s 0.770 1.880 4.894 19.293 13.123 1.470 possible 3251 419 A VAL C 1 C3H0s 0.770 1.610 2.509 7.843 8.563 0.916 [OK] 3252 419 A VAL O 16 O1H0u 0.660 1.420 4.337 19.927 16.181 1.232 possible 3253 419 A VAL CB 4 C4H1b 0.770 1.880 2.884 14.515 14.598 0.994 [OK] 3254 419 A VAL CG1 10 C4H3u 0.770 1.880 16.347 -1.000 36.584 -1.000 bad 3255 419 A VAL CG2 10 C4H3u 0.770 1.880 34.078 -1.000 36.332 -1.000 bad 3256 420 A GLY N 12 N3H1s 0.700 1.640 2.499 13.995 14.854 0.942 [OK] 3257 420 A GLY CA 8 C4H2s 0.770 1.880 2.928 24.143 23.688 1.019 [OK] 3258 420 A GLY C 2 C3H0b 0.770 1.610 2.355 8.674 9.840 0.882 [OK] 3259 420 A GLY O 16 O1H0u 0.660 1.420 2.423 14.772 16.391 0.901 [OK] 3260 421 A VAL N 12 N3H1s 0.700 1.640 2.557 13.892 13.676 1.016 [OK] 3261 421 A VAL CA 3 C4H1s 0.770 1.880 3.396 14.915 13.123 1.137 possible 3262 421 A VAL C 1 C3H0s 0.770 1.610 2.271 8.407 8.563 0.982 [OK] 3263 421 A VAL O 16 O1H0u 0.660 1.420 2.595 16.601 16.181 1.026 [OK] 3264 421 A VAL CB 4 C4H1b 0.770 1.880 2.837 14.909 14.598 1.021 [OK] 3265 421 A VAL CG1 10 C4H3u 0.770 1.880 3.349 43.510 36.584 1.189 possible 3266 421 A VAL CG2 10 C4H3u 0.770 1.880 3.100 33.020 36.332 0.909 possible 3267 422 A ASN N 12 N3H1s 0.700 1.640 2.357 13.379 13.695 0.977 [OK] 3268 422 A ASN CA 3 C4H1s 0.770 1.880 3.032 14.845 13.167 1.127 possible 3269 422 A ASN C 1 C3H0s 0.770 1.610 4.220 9.394 8.928 1.052 possible 3270 422 A ASN O 16 O1H0u 0.660 1.420 4.710 21.431 16.199 1.323 possible 3271 422 A ASN CB 8 C4H2s 0.770 1.880 19.009 -1.000 23.128 -1.000 bad 3272 422 A ASN CG 2 C3H0b 0.770 1.610 5.665 13.866 9.599 1.445 possible 3273 422 A ASN OD1 16 O1H0u 0.660 1.420 6.620 53.353 16.664 3.202 possible 3274 422 A ASN ND2 15 N3H2u 0.700 1.640 3.164 28.417 23.083 1.231 possible 3275 423 A MET N 12 N3H1s 0.700 1.640 5.001 17.462 13.564 1.287 possible 3276 423 A MET CA 3 C4H1s 0.770 1.880 6.438 31.093 13.231 2.350 possible 3277 423 A MET C 1 C3H0s 0.770 1.610 2.527 8.336 8.782 0.949 [OK] 3278 423 A MET O 16 O1H0u 0.660 1.420 3.200 17.692 16.277 1.087 possible 3279 423 A MET CB 8 C4H2s 0.770 1.880 4.959 27.786 23.645 1.175 possible 3280 423 A MET CG 9 C4H2b 0.770 1.880 6.142 35.442 24.009 1.476 possible 3281 423 A MET SD 19 S2H0u 1.040 1.770 4.019 36.451 30.093 1.211 possible 3282 423 A MET CE 10 C4H3u 0.770 1.880 46.239 -1.000 37.161 -1.000 bad 3283 424 A THR N 12 N3H1s 0.700 1.640 2.554 13.023 13.832 0.941 [OK] 3284 424 A THR CA 3 C4H1s 0.770 1.880 2.752 13.100 13.099 1.000 [OK] 3285 424 A THR C 1 C3H0s 0.770 1.610 2.166 7.973 8.738 0.912 [OK] 3286 424 A THR O 16 O1H0u 0.660 1.420 2.278 15.082 16.020 0.941 [OK] 3287 424 A THR CB 4 C4H1b 0.770 1.880 2.966 13.990 14.829 0.943 [OK] 3288 424 A THR OG1 17 O2H1u 0.660 1.460 2.998 19.042 18.123 1.051 [OK] 3289 424 A THR CG2 10 C4H3u 0.770 1.880 3.241 36.247 36.542 0.992 possible 3290 425 A PHE N 12 N3H1s 0.700 1.640 2.464 13.186 13.691 0.963 [OK] 3291 425 A PHE CA 3 C4H1s 0.770 1.880 2.791 12.151 13.449 0.903 [OK] 3292 425 A PHE C 1 C3H0s 0.770 1.610 2.415 8.688 8.753 0.993 [OK] 3293 425 A PHE O 16 O1H0u 0.660 1.420 2.517 17.352 16.151 1.074 [OK] 3294 425 A PHE CB 8 C4H2s 0.770 1.880 3.007 26.318 23.777 1.107 possible 3295 425 A PHE CG 2 C3H0b 0.770 1.610 2.793 9.212 9.721 0.948 [OK] 3296 425 A PHE CD1 5 C3H1s 0.770 1.760 2.738 20.085 20.405 0.984 [OK] 3297 425 A PHE CD2 6 C3H1b 0.770 1.760 2.921 19.857 21.051 0.943 [OK] 3298 425 A PHE CE1 6 C3H1b 0.770 1.760 2.894 21.086 21.580 0.977 [OK] 3299 425 A PHE CE2 6 C3H1b 0.770 1.760 3.273 22.489 21.680 1.037 possible 3300 425 A PHE CZ 6 C3H1b 0.770 1.760 2.713 17.595 21.666 0.812 [OK] 3301 426 A PHE N 12 N3H1s 0.700 1.640 2.809 13.948 13.691 1.019 [OK] 3302 426 A PHE CA 3 C4H1s 0.770 1.880 2.607 12.334 13.449 0.917 [OK] 3303 426 A PHE C 1 C3H0s 0.770 1.610 2.398 7.797 8.753 0.891 [OK] 3304 426 A PHE O 16 O1H0u 0.660 1.420 2.694 16.986 16.151 1.052 [OK] 3305 426 A PHE CB 8 C4H2s 0.770 1.880 4.542 29.793 23.777 1.253 possible 3306 426 A PHE CG 2 C3H0b 0.770 1.610 5.231 14.869 9.721 1.530 possible 3307 426 A PHE CD1 5 C3H1s 0.770 1.760 5.465 26.936 20.405 1.320 possible 3308 426 A PHE CD2 6 C3H1b 0.770 1.760 17.856 -1.000 21.051 -1.000 bad 3309 426 A PHE CE1 6 C3H1b 0.770 1.760 7.552 78.287 21.580 3.628 possible 3310 426 A PHE CE2 6 C3H1b 0.770 1.760 19.782 -1.000 21.680 -1.000 bad 3311 426 A PHE CZ 6 C3H1b 0.770 1.760 29.190 -1.000 21.666 -1.000 bad 3312 427 A PRO N 11 N3H0u 0.700 1.640 3.017 8.750 8.823 0.992 possible 3313 427 A PRO CA 4 C4H1b 0.770 1.880 3.283 13.965 13.955 1.001 possible 3314 427 A PRO C 1 C3H0s 0.770 1.610 2.897 9.085 8.812 1.031 [OK] 3315 427 A PRO O 16 O1H0u 0.660 1.420 2.430 15.059 16.169 0.931 [OK] 3316 427 A PRO CB 9 C4H2b 0.770 1.880 4.579 33.351 25.563 1.305 possible 3317 427 A PRO CG 9 C4H2b 0.770 1.880 3.231 26.292 25.832 1.018 possible 3318 427 A PRO CD 8 C4H2s 0.770 1.880 4.878 32.139 23.836 1.348 possible 3319 428 A GLN N 12 N3H1s 0.700 1.640 3.006 14.116 13.616 1.037 possible 3320 428 A GLN CA 3 C4H1s 0.770 1.880 2.703 13.254 13.334 0.994 [OK] 3321 428 A GLN C 1 C3H0s 0.770 1.610 2.344 8.689 8.787 0.989 [OK] 3322 428 A GLN O 16 O1H0u 0.660 1.420 2.348 16.770 15.993 1.049 [OK] 3323 428 A GLN CB 8 C4H2s 0.770 1.880 2.821 23.819 23.275 1.023 [OK] 3324 428 A GLN CG 8 C4H2s 0.770 1.880 3.172 24.875 23.465 1.060 possible 3325 428 A GLN CD 2 C3H0b 0.770 1.610 2.612 9.340 9.659 0.967 [OK] 3326 428 A GLN OE1 16 O1H0u 0.660 1.420 2.548 19.693 17.091 1.152 [OK] 3327 428 A GLN NE2 15 N3H2u 0.700 1.640 2.932 27.417 24.150 1.135 [OK] 3328 429 A HIS N 12 N3H1s 0.700 1.640 2.454 13.444 13.715 0.980 [OK] 3329 429 A HIS CA 3 C4H1s 0.770 1.880 2.913 15.203 13.467 1.129 [OK] 3330 429 A HIS C 1 C3H0s 0.770 1.610 2.723 8.718 8.882 0.982 [OK] 3331 429 A HIS O 16 O1H0u 0.660 1.420 2.380 16.467 16.082 1.024 [OK] 3332 429 A HIS CB 8 C4H2s 0.770 1.880 4.724 39.394 23.653 1.666 possible 3333 429 A HIS CG 2 C3H0b 0.770 1.610 4.264 13.822 9.952 1.389 possible 3334 429 A HIS ND1 13 N3H1b 0.700 1.640 3.181 16.996 15.506 1.096 possible 3335 429 A HIS CD2 5 C3H1s 0.770 1.760 4.531 35.268 21.085 1.673 possible 3336 429 A HIS CE1 5 C3H1s 0.770 1.760 3.603 26.438 20.636 1.281 possible 3337 429 A HIS NE2 13 N3H1b 0.700 1.640 4.362 28.698 15.337 1.871 possible 3338 430 A PHE N 12 N3H1s 0.700 1.640 2.715 12.310 13.691 0.899 [OK] 3339 430 A PHE CA 3 C4H1s 0.770 1.880 2.735 13.520 13.449 1.005 [OK] 3340 430 A PHE C 1 C3H0s 0.770 1.610 2.818 8.744 8.753 0.999 [OK] 3341 430 A PHE O 16 O1H0u 0.660 1.420 2.611 16.094 16.151 0.996 [OK] 3342 430 A PHE CB 8 C4H2s 0.770 1.880 2.743 20.439 23.777 0.860 [OK] 3343 430 A PHE CG 2 C3H0b 0.770 1.610 2.752 9.908 9.721 1.019 [OK] 3344 430 A PHE CD1 5 C3H1s 0.770 1.760 3.332 22.262 20.405 1.091 possible 3345 430 A PHE CD2 6 C3H1b 0.770 1.760 2.843 19.003 21.051 0.903 [OK] 3346 430 A PHE CE1 6 C3H1b 0.770 1.760 5.280 58.193 21.580 2.697 possible 3347 430 A PHE CE2 6 C3H1b 0.770 1.760 6.221 41.136 21.680 1.897 possible 3348 430 A PHE CZ 6 C3H1b 0.770 1.760 7.974 61.801 21.666 2.852 possible 3349 431 A LEU N 12 N3H1s 0.700 1.640 2.801 14.075 13.655 1.031 [OK] 3350 431 A LEU CA 3 C4H1s 0.770 1.880 2.989 12.957 13.122 0.987 [OK] 3351 431 A LEU C 1 C3H0s 0.770 1.610 2.424 7.923 8.825 0.898 [OK] 3352 431 A LEU O 16 O1H0u 0.660 1.420 2.356 14.891 16.208 0.919 [OK] 3353 431 A LEU CB 8 C4H2s 0.770 1.880 2.780 21.375 22.951 0.931 [OK] 3354 431 A LEU CG 4 C4H1b 0.770 1.880 2.847 13.866 14.764 0.939 [OK] 3355 431 A LEU CD1 10 C4H3u 0.770 1.880 3.247 43.662 37.425 1.167 possible 3356 431 A LEU CD2 10 C4H3u 0.770 1.880 3.269 33.930 37.143 0.913 possible 3357 432 A GLY N 12 N3H1s 0.700 1.640 2.500 13.864 14.854 0.933 [OK] 3358 432 A GLY CA 8 C4H2s 0.770 1.880 2.788 22.807 23.688 0.963 [OK] 3359 432 A GLY C 2 C3H0b 0.770 1.610 2.419 9.164 9.840 0.931 [OK] 3360 432 A GLY O 16 O1H0u 0.660 1.420 2.897 21.151 16.391 1.290 [OK] 3361 433 A LEU N 12 N3H1s 0.700 1.640 2.504 13.439 13.655 0.984 [OK] 3362 433 A LEU CA 3 C4H1s 0.770 1.880 2.876 13.564 13.122 1.034 [OK] 3363 433 A LEU C 1 C3H0s 0.770 1.610 2.154 8.070 8.825 0.914 [OK] 3364 433 A LEU O 16 O1H0u 0.660 1.420 2.974 23.700 16.208 1.462 [OK] 3365 433 A LEU CB 8 C4H2s 0.770 1.880 2.949 22.288 22.951 0.971 [OK] 3366 433 A LEU CG 4 C4H1b 0.770 1.880 2.711 12.797 14.764 0.867 [OK] 3367 433 A LEU CD1 10 C4H3u 0.770 1.880 4.599 66.031 37.425 1.764 possible 3368 433 A LEU CD2 10 C4H3u 0.770 1.880 3.237 35.159 37.143 0.947 possible 3369 434 A SER N 12 N3H1s 0.700 1.640 2.680 12.816 14.103 0.909 [OK] 3370 434 A SER CA 3 C4H1s 0.770 1.880 2.792 14.405 13.476 1.069 [OK] 3371 434 A SER C 1 C3H0s 0.770 1.610 2.962 10.444 8.923 1.170 [OK] 3372 434 A SER O 16 O1H0u 0.660 1.420 2.607 16.584 16.179 1.025 [OK] 3373 434 A SER CB 8 C4H2s 0.770 1.880 3.219 25.860 23.884 1.083 possible 3374 434 A SER OG 17 O2H1u 0.660 1.460 3.274 22.598 18.732 1.206 possible 3375 435 A GLY N 12 N3H1s 0.700 1.640 2.993 14.857 14.854 1.000 [OK] 3376 435 A GLY CA 8 C4H2s 0.770 1.880 3.613 32.956 23.688 1.391 possible 3377 435 A GLY C 2 C3H0b 0.770 1.610 2.549 9.911 9.840 1.007 [OK] 3378 435 A GLY O 16 O1H0u 0.660 1.420 3.481 31.536 16.391 1.924 possible 3379 436 A MET N 12 N3H1s 0.700 1.640 2.576 14.321 13.564 1.056 [OK] 3380 436 A MET CA 3 C4H1s 0.770 1.880 2.913 12.765 13.231 0.965 [OK] 3381 436 A MET C 1 C3H0s 0.770 1.610 2.694 8.230 8.782 0.937 [OK] 3382 436 A MET O 16 O1H0u 0.660 1.420 2.453 16.562 16.277 1.018 [OK] 3383 436 A MET CB 8 C4H2s 0.770 1.880 2.739 23.530 23.645 0.995 [OK] 3384 436 A MET CG 9 C4H2b 0.770 1.880 3.332 25.331 24.009 1.055 possible 3385 436 A MET SD 19 S2H0u 1.040 1.770 3.025 29.584 30.093 0.983 possible 3386 436 A MET CE 10 C4H3u 0.770 1.880 3.187 43.712 37.161 1.176 possible 3387 437 A PRO N 11 N3H0u 0.700 1.640 2.893 8.848 8.823 1.003 [OK] 3388 437 A PRO CA 4 C4H1b 0.770 1.880 3.271 14.369 13.955 1.030 possible 3389 437 A PRO C 1 C3H0s 0.770 1.610 2.439 9.275 8.812 1.053 [OK] 3390 437 A PRO O 16 O1H0u 0.660 1.420 2.629 18.408 16.169 1.138 [OK] 3391 437 A PRO CB 9 C4H2b 0.770 1.880 3.451 29.295 25.563 1.146 possible 3392 437 A PRO CG 9 C4H2b 0.770 1.880 3.887 36.609 25.832 1.417 possible 3393 437 A PRO CD 8 C4H2s 0.770 1.880 3.333 27.898 23.836 1.170 possible 3394 438 A ARG N 12 N3H1s 0.700 1.640 3.071 14.513 13.650 1.063 possible 3395 438 A ARG CA 3 C4H1s 0.770 1.880 2.802 13.933 13.422 1.038 [OK] 3396 438 A ARG C 1 C3H0s 0.770 1.610 2.391 8.496 8.838 0.961 [OK] 3397 438 A ARG O 16 O1H0u 0.660 1.420 2.841 20.575 16.084 1.279 [OK] 3398 438 A ARG CB 8 C4H2s 0.770 1.880 2.970 23.333 23.088 1.011 [OK] 3399 438 A ARG CG 8 C4H2s 0.770 1.880 2.791 21.668 23.640 0.917 [OK] 3400 438 A ARG CD 8 C4H2s 0.770 1.880 3.212 25.038 23.300 1.075 possible 3401 438 A ARG NE 13 N3H1b 0.700 1.640 3.114 20.728 15.569 1.331 possible 3402 438 A ARG CZ 2 C3H0b 0.770 1.610 3.138 11.192 9.747 1.148 possible 3403 438 A ARG NH1 15 N3H2u 0.700 1.640 3.626 32.875 22.782 1.443 possible 3404 438 A ARG NH2 15 N3H2u 0.700 1.640 3.050 25.503 23.810 1.071 possible 3405 439 A ARG N 12 N3H1s 0.700 1.640 2.738 13.254 13.650 0.971 [OK] 3406 439 A ARG CA 3 C4H1s 0.770 1.880 2.886 13.484 13.422 1.005 [OK] 3407 439 A ARG C 1 C3H0s 0.770 1.610 2.292 9.219 8.838 1.043 [OK] 3408 439 A ARG O 16 O1H0u 0.660 1.420 2.505 19.874 16.084 1.236 [OK] 3409 439 A ARG CB 8 C4H2s 0.770 1.880 3.070 22.877 23.088 0.991 possible 3410 439 A ARG CG 8 C4H2s 0.770 1.880 3.396 27.596 23.640 1.167 possible 3411 439 A ARG CD 8 C4H2s 0.770 1.880 3.364 27.388 23.300 1.175 possible 3412 439 A ARG NE 13 N3H1b 0.700 1.640 3.032 17.114 15.569 1.099 possible 3413 439 A ARG CZ 2 C3H0b 0.770 1.610 2.852 10.869 9.747 1.115 [OK] 3414 439 A ARG NH1 15 N3H2u 0.700 1.640 4.012 47.008 22.782 2.063 possible 3415 439 A ARG NH2 15 N3H2u 0.700 1.640 3.356 27.828 23.810 1.169 possible 3416 440 A TYR N 12 N3H1s 0.700 1.640 2.857 15.906 13.691 1.162 [OK] 3417 440 A TYR CA 3 C4H1s 0.770 1.880 2.641 11.771 13.330 0.883 [OK] 3418 440 A TYR C 1 C3H0s 0.770 1.610 2.306 8.183 8.770 0.933 [OK] 3419 440 A TYR O 16 O1H0u 0.660 1.420 2.700 19.951 16.124 1.237 [OK] 3420 440 A TYR CB 8 C4H2s 0.770 1.880 3.064 26.140 23.678 1.104 possible 3421 440 A TYR CG 2 C3H0b 0.770 1.610 2.615 9.934 9.732 1.021 [OK] 3422 440 A TYR CD1 5 C3H1s 0.770 1.760 2.668 17.498 20.171 0.867 [OK] 3423 440 A TYR CD2 5 C3H1s 0.770 1.760 3.237 25.318 20.728 1.221 possible 3424 440 A TYR CE1 5 C3H1s 0.770 1.760 2.760 16.878 20.675 0.816 [OK] 3425 440 A TYR CE2 5 C3H1s 0.770 1.760 3.023 19.465 20.810 0.935 possible 3426 440 A TYR CZ 2 C3H0b 0.770 1.610 2.375 8.682 9.926 0.875 [OK] 3427 440 A TYR OH 17 O2H1u 0.660 1.460 3.010 20.435 19.173 1.066 possible 3428 441 A SER N 12 N3H1s 0.700 1.640 2.695 14.522 14.103 1.030 [OK] 3429 441 A SER CA 3 C4H1s 0.770 1.880 2.738 13.630 13.476 1.011 [OK] 3430 441 A SER C 1 C3H0s 0.770 1.610 2.268 8.525 8.923 0.955 [OK] 3431 441 A SER O 16 O1H0u 0.660 1.420 2.555 15.074 16.179 0.932 [OK] 3432 441 A SER CB 8 C4H2s 0.770 1.880 3.213 25.814 23.884 1.081 possible 3433 441 A SER OG 17 O2H1u 0.660 1.460 3.017 26.252 18.732 1.401 possible 3434 442 A ASP N 12 N3H1s 0.700 1.640 2.844 15.398 13.895 1.108 [OK] 3435 442 A ASP CA 3 C4H1s 0.770 1.880 2.863 13.926 13.377 1.041 [OK] 3436 442 A ASP C 1 C3H0s 0.770 1.610 2.758 9.031 8.816 1.024 [OK] 3437 442 A ASP O 16 O1H0u 0.660 1.420 2.917 20.467 16.091 1.272 [OK] 3438 442 A ASP CB 8 C4H2s 0.770 1.880 3.008 26.396 23.481 1.124 possible 3439 442 A ASP CG 2 C3H0b 0.770 1.610 2.224 8.557 9.422 0.908 [OK] 3440 442 A ASP OD1 16 O1H0u 0.660 1.420 2.643 18.162 15.505 1.171 [OK] 3441 442 A ASP OD2 16 O1H0u 0.660 1.420 3.694 22.504 16.324 1.379 possible 3442 443 A TYR N 12 N3H1s 0.700 1.640 2.437 12.156 13.691 0.888 [OK] 3443 443 A TYR CA 3 C4H1s 0.770 1.880 2.988 13.213 13.330 0.991 [OK] 3444 443 A TYR C 1 C3H0s 0.770 1.610 2.150 7.974 8.770 0.909 [OK] 3445 443 A TYR O 16 O1H0u 0.660 1.420 2.725 17.741 16.124 1.100 [OK] 3446 443 A TYR CB 8 C4H2s 0.770 1.880 3.338 26.991 23.678 1.140 possible 3447 443 A TYR CG 2 C3H0b 0.770 1.610 2.624 10.091 9.732 1.037 [OK] 3448 443 A TYR CD1 5 C3H1s 0.770 1.760 2.996 19.963 20.171 0.990 [OK] 3449 443 A TYR CD2 5 C3H1s 0.770 1.760 2.978 20.661 20.728 0.997 [OK] 3450 443 A TYR CE1 5 C3H1s 0.770 1.760 3.105 21.201 20.675 1.025 possible 3451 443 A TYR CE2 5 C3H1s 0.770 1.760 3.007 23.526 20.810 1.131 possible 3452 443 A TYR CZ 2 C3H0b 0.770 1.610 2.717 10.155 9.926 1.023 [OK] 3453 443 A TYR OH 17 O2H1u 0.660 1.460 2.699 22.404 19.173 1.169 [OK] 3454 444 A PRO N 11 N3H0u 0.700 1.640 2.227 8.226 8.823 0.932 [OK] 3455 444 A PRO CA 4 C4H1b 0.770 1.880 3.612 18.595 13.955 1.333 possible 3456 444 A PRO C 1 C3H0s 0.770 1.610 2.468 8.323 8.812 0.944 [OK] 3457 444 A PRO O 16 O1H0u 0.660 1.420 2.568 15.991 16.169 0.989 [OK] 3458 444 A PRO CB 9 C4H2b 0.770 1.880 3.734 33.587 25.563 1.314 possible 3459 444 A PRO CG 9 C4H2b 0.770 1.880 3.516 26.113 25.832 1.011 possible 3460 444 A PRO CD 8 C4H2s 0.770 1.880 3.382 28.750 23.836 1.206 possible 3461 445 A ASP N 12 N3H1s 0.700 1.640 3.493 22.185 13.895 1.597 possible 3462 445 A ASP CA 3 C4H1s 0.770 1.880 3.239 15.595 13.377 1.166 possible 3463 445 A ASP C 1 C3H0s 0.770 1.610 2.797 8.794 8.816 0.997 [OK] 3464 445 A ASP O 16 O1H0u 0.660 1.420 2.698 15.935 16.091 0.990 [OK] 3465 445 A ASP CB 8 C4H2s 0.770 1.880 3.824 37.438 23.481 1.594 possible 3466 445 A ASP CG 2 C3H0b 0.770 1.610 3.191 10.165 9.422 1.079 possible 3467 445 A ASP OD1 16 O1H0u 0.660 1.420 2.585 15.019 15.505 0.969 [OK] 3468 445 A ASP OD2 16 O1H0u 0.660 1.420 3.309 25.517 16.324 1.563 possible 3469 446 A ALA N 12 N3H1s 0.700 1.640 3.658 22.881 14.046 1.629 possible 3470 446 A ALA CA 4 C4H1b 0.770 1.880 3.295 14.376 14.063 1.022 possible 3471 446 A ALA C 1 C3H0s 0.770 1.610 2.721 8.768 8.900 0.985 [OK] 3472 446 A ALA O 16 O1H0u 0.660 1.420 3.194 28.364 16.188 1.752 possible 3473 446 A ALA CB 10 C4H3u 0.770 1.880 3.988 46.490 36.782 1.264 possible 3474 447 A TYR N 12 N3H1s 0.700 1.640 2.710 13.860 13.691 1.012 [OK] 3475 447 A TYR CA 3 C4H1s 0.770 1.880 3.416 16.162 13.330 1.212 possible 3476 447 A TYR C 1 C3H0s 0.770 1.610 3.108 10.426 8.770 1.189 possible 3477 447 A TYR O 16 O1H0u 0.660 1.420 2.641 15.898 16.124 0.986 [OK] 3478 447 A TYR CB 8 C4H2s 0.770 1.880 2.750 21.770 23.678 0.919 [OK] 3479 447 A TYR CG 2 C3H0b 0.770 1.610 2.616 9.957 9.732 1.023 [OK] 3480 447 A TYR CD1 5 C3H1s 0.770 1.760 3.637 27.088 20.171 1.343 possible 3481 447 A TYR CD2 5 C3H1s 0.770 1.760 3.031 20.694 20.728 0.998 possible 3482 447 A TYR CE1 5 C3H1s 0.770 1.760 3.198 19.602 20.675 0.948 possible 3483 447 A TYR CE2 5 C3H1s 0.770 1.760 3.422 26.611 20.810 1.279 possible 3484 447 A TYR CZ 2 C3H0b 0.770 1.610 3.073 10.326 9.926 1.040 possible 3485 447 A TYR OH 17 O2H1u 0.660 1.460 3.558 30.832 19.173 1.608 possible 3486 448 A THR N 12 N3H1s 0.700 1.640 3.076 15.598 13.832 1.128 possible 3487 448 A THR CA 3 C4H1s 0.770 1.880 2.668 12.447 13.099 0.950 [OK] 3488 448 A THR C 1 C3H0s 0.770 1.610 2.496 7.877 8.738 0.901 [OK] 3489 448 A THR O 16 O1H0u 0.660 1.420 2.544 14.699 16.020 0.918 [OK] 3490 448 A THR CB 4 C4H1b 0.770 1.880 3.157 15.505 14.829 1.046 possible 3491 448 A THR OG1 17 O2H1u 0.660 1.460 2.835 18.747 18.123 1.034 [OK] 3492 448 A THR CG2 10 C4H3u 0.770 1.880 3.277 39.330 36.542 1.076 possible 3493 449 A MET N 12 N3H1s 0.700 1.640 3.272 20.926 13.564 1.543 possible 3494 449 A MET CA 3 C4H1s 0.770 1.880 3.056 15.120 13.231 1.143 possible 3495 449 A MET C 1 C3H0s 0.770 1.610 2.313 7.640 8.782 0.870 [OK] 3496 449 A MET O 16 O1H0u 0.660 1.420 2.459 15.007 16.277 0.922 [OK] 3497 449 A MET CB 8 C4H2s 0.770 1.880 3.513 29.065 23.645 1.229 possible 3498 449 A MET CG 9 C4H2b 0.770 1.880 2.996 23.498 24.009 0.979 [OK] 3499 449 A MET SD 19 S2H0u 1.040 1.770 7.061 45.476 30.093 1.511 possible 3500 449 A MET CE 10 C4H3u 0.770 1.880 20.018 -1.000 37.161 -1.000 bad 3501 450 A TRP N 12 N3H1s 0.700 1.640 3.226 16.721 13.791 1.212 possible 3502 450 A TRP CA 3 C4H1s 0.770 1.880 2.797 12.816 13.377 0.958 [OK] 3503 450 A TRP C 1 C3H0s 0.770 1.610 2.344 8.226 8.724 0.943 [OK] 3504 450 A TRP O 16 O1H0u 0.660 1.420 2.727 17.364 15.951 1.089 [OK] 3505 450 A TRP CB 8 C4H2s 0.770 1.880 3.047 23.160 24.004 0.965 possible 3506 450 A TRP CG 2 C3H0b 0.770 1.610 2.674 10.724 9.965 1.076 [OK] 3507 450 A TRP CD1 5 C3H1s 0.770 1.760 3.620 31.551 20.874 1.511 possible 3508 450 A TRP CD2 2 C3H0b 0.770 1.610 2.676 10.474 10.097 1.037 [OK] 3509 450 A TRP NE1 13 N3H1b 0.700 1.640 2.878 16.574 16.969 0.977 [OK] 3510 450 A TRP CE2 2 C3H0b 0.770 1.610 2.745 10.573 9.889 1.069 [OK] 3511 450 A TRP CE3 6 C3H1b 0.770 1.760 3.047 20.444 20.448 1.000 possible 3512 450 A TRP CZ2 6 C3H1b 0.770 1.760 3.331 21.682 21.012 1.032 possible 3513 450 A TRP CZ3 6 C3H1b 0.770 1.760 9.797 -1.000 21.516 -1.000 bad 3514 450 A TRP CH2 6 C3H1b 0.770 1.760 17.122 -1.000 21.339 -1.000 bad 3515 451 A ASN N 12 N3H1s 0.700 1.640 2.371 13.695 13.695 1.000 [OK] 3516 451 A ASN CA 3 C4H1s 0.770 1.880 3.055 13.622 13.167 1.035 possible 3517 451 A ASN C 1 C3H0s 0.770 1.610 2.689 8.648 8.928 0.969 [OK] 3518 451 A ASN O 16 O1H0u 0.660 1.420 2.287 14.675 16.199 0.906 [OK] 3519 451 A ASN CB 8 C4H2s 0.770 1.880 2.898 22.236 23.128 0.961 [OK] 3520 451 A ASN CG 2 C3H0b 0.770 1.610 2.313 8.552 9.599 0.891 [OK] 3521 451 A ASN OD1 16 O1H0u 0.660 1.420 2.710 22.292 16.664 1.338 [OK] 3522 451 A ASN ND2 15 N3H2u 0.700 1.640 2.510 21.172 23.083 0.917 [OK] 3523 452 A THR N 12 N3H1s 0.700 1.640 2.911 12.730 13.832 0.920 [OK] 3524 452 A THR CA 3 C4H1s 0.770 1.880 2.994 14.234 13.099 1.087 [OK] 3525 452 A THR C 1 C3H0s 0.770 1.610 2.601 8.404 8.738 0.962 [OK] 3526 452 A THR O 16 O1H0u 0.660 1.420 3.533 18.402 16.020 1.149 possible 3527 452 A THR CB 4 C4H1b 0.770 1.880 3.037 15.486 14.829 1.044 possible 3528 452 A THR OG1 17 O2H1u 0.660 1.460 3.248 25.596 18.123 1.412 possible 3529 452 A THR CG2 10 C4H3u 0.770 1.880 3.974 44.767 36.542 1.225 possible 3530 453 A ILE N 12 N3H1s 0.700 1.640 2.621 13.096 13.633 0.961 [OK] 3531 453 A ILE CA 3 C4H1s 0.770 1.880 3.545 15.755 13.007 1.211 possible 3532 453 A ILE C 1 C3H0s 0.770 1.610 2.441 7.773 8.470 0.918 [OK] 3533 453 A ILE O 16 O1H0u 0.660 1.420 2.963 16.635 16.144 1.030 [OK] 3534 453 A ILE CB 4 C4H1b 0.770 1.880 2.819 14.724 14.227 1.035 [OK] 3535 453 A ILE CG1 9 C4H2b 0.770 1.880 5.440 35.120 24.187 1.452 possible 3536 453 A ILE CG2 10 C4H3u 0.770 1.880 6.808 69.567 35.961 1.935 possible 3537 453 A ILE CD1 10 C4H3u 0.770 1.880 25.318 -1.000 38.377 -1.000 bad 3538 454 A SER N 12 N3H1s 0.700 1.640 2.475 13.514 14.103 0.958 [OK] 3539 454 A SER CA 3 C4H1s 0.770 1.880 2.786 13.844 13.476 1.027 [OK] 3540 454 A SER C 1 C3H0s 0.770 1.610 2.284 7.912 8.923 0.887 [OK] 3541 454 A SER O 16 O1H0u 0.660 1.420 2.474 16.137 16.179 0.997 [OK] 3542 454 A SER CB 8 C4H2s 0.770 1.880 3.208 24.944 23.884 1.044 possible 3543 454 A SER OG 17 O2H1u 0.660 1.460 2.743 18.896 18.732 1.009 [OK] 3544 455 A SER N 12 N3H1s 0.700 1.640 2.225 12.752 14.103 0.904 [OK] 3545 455 A SER CA 3 C4H1s 0.770 1.880 2.555 12.507 13.476 0.928 [OK] 3546 455 A SER C 1 C3H0s 0.770 1.610 3.062 8.882 8.923 0.995 possible 3547 455 A SER O 16 O1H0u 0.660 1.420 2.909 17.018 16.179 1.052 [OK] 3548 455 A SER CB 8 C4H2s 0.770 1.880 4.126 35.847 23.884 1.501 possible 3549 455 A SER OG 17 O2H1u 0.660 1.460 2.206 14.241 18.732 0.760 [OK] 3550 456 A MET N 12 N3H1s 0.700 1.640 3.215 13.779 13.564 1.016 possible 3551 456 A MET CA 3 C4H1s 0.770 1.880 2.846 14.350 13.231 1.085 [OK] 3552 456 A MET C 1 C3H0s 0.770 1.610 2.727 8.901 8.782 1.014 [OK] 3553 456 A MET O 16 O1H0u 0.660 1.420 2.578 17.607 16.277 1.082 [OK] 3554 456 A MET CB 8 C4H2s 0.770 1.880 3.439 26.097 23.645 1.104 possible 3555 456 A MET CG 9 C4H2b 0.770 1.880 4.208 25.729 24.009 1.072 possible 3556 456 A MET SD 19 S2H0u 1.040 1.770 4.054 38.304 30.093 1.273 possible 3557 456 A MET CE 10 C4H3u 0.770 1.880 4.197 44.720 37.161 1.203 possible 3558 457 A GLY N 12 N3H1s 0.700 1.640 2.655 13.901 14.854 0.936 [OK] 3559 457 A GLY CA 8 C4H2s 0.770 1.880 2.847 23.544 23.688 0.994 [OK] 3560 457 A GLY C 2 C3H0b 0.770 1.610 2.036 7.645 9.840 0.777 [OK] 3561 457 A GLY O 16 O1H0u 0.660 1.420 2.356 14.978 16.391 0.914 [OK] 3562 458 A SER N 12 N3H1s 0.700 1.640 2.317 12.148 14.103 0.861 [OK] 3563 458 A SER CA 3 C4H1s 0.770 1.880 3.349 16.145 13.476 1.198 possible 3564 458 A SER C 1 C3H0s 0.770 1.610 2.192 8.213 8.923 0.920 [OK] 3565 458 A SER O 16 O1H0u 0.660 1.420 3.057 19.871 16.179 1.228 possible 3566 458 A SER CB 8 C4H2s 0.770 1.880 3.316 25.538 23.884 1.069 possible 3567 458 A SER OG 17 O2H1u 0.660 1.460 2.792 17.865 18.732 0.954 [OK] 3568 459 A PHE N 12 N3H1s 0.700 1.640 2.294 12.275 13.691 0.897 [OK] 3569 459 A PHE CA 3 C4H1s 0.770 1.880 2.939 14.025 13.449 1.043 [OK] 3570 459 A PHE C 1 C3H0s 0.770 1.610 2.089 8.175 8.753 0.934 [OK] 3571 459 A PHE O 16 O1H0u 0.660 1.420 2.556 16.753 16.151 1.037 [OK] 3572 459 A PHE CB 8 C4H2s 0.770 1.880 2.944 23.622 23.777 0.993 [OK] 3573 459 A PHE CG 2 C3H0b 0.770 1.610 2.698 9.995 9.721 1.028 [OK] 3574 459 A PHE CD1 5 C3H1s 0.770 1.760 3.209 21.191 20.405 1.039 possible 3575 459 A PHE CD2 6 C3H1b 0.770 1.760 2.937 24.026 21.051 1.141 [OK] 3576 459 A PHE CE1 6 C3H1b 0.770 1.760 3.316 32.069 21.580 1.486 possible 3577 459 A PHE CE2 6 C3H1b 0.770 1.760 4.296 44.440 21.680 2.050 possible 3578 459 A PHE CZ 6 C3H1b 0.770 1.760 4.046 36.032 21.666 1.663 possible 3579 460 A ILE N 12 N3H1s 0.700 1.640 2.426 12.327 13.633 0.904 [OK] 3580 460 A ILE CA 3 C4H1s 0.770 1.880 2.921 13.372 13.007 1.028 [OK] 3581 460 A ILE C 1 C3H0s 0.770 1.610 2.801 7.948 8.470 0.938 [OK] 3582 460 A ILE O 16 O1H0u 0.660 1.420 2.606 15.067 16.144 0.933 [OK] 3583 460 A ILE CB 4 C4H1b 0.770 1.880 2.663 12.557 14.227 0.883 [OK] 3584 460 A ILE CG1 9 C4H2b 0.770 1.880 3.078 25.275 24.187 1.045 possible 3585 460 A ILE CG2 10 C4H3u 0.770 1.880 3.256 34.847 35.961 0.969 possible 3586 460 A ILE CD1 10 C4H3u 0.770 1.880 3.452 42.187 38.377 1.099 possible 3587 461 A SER N 12 N3H1s 0.700 1.640 2.825 13.569 14.103 0.962 [OK] 3588 461 A SER CA 3 C4H1s 0.770 1.880 3.035 15.282 13.476 1.134 possible 3589 461 A SER C 1 C3H0s 0.770 1.610 2.917 8.304 8.923 0.931 [OK] 3590 461 A SER O 16 O1H0u 0.660 1.420 2.607 14.114 16.179 0.872 [OK] 3591 461 A SER CB 8 C4H2s 0.770 1.880 3.396 29.515 23.884 1.236 possible 3592 461 A SER OG 17 O2H1u 0.660 1.460 2.956 25.518 18.732 1.362 [OK] 3593 462 A LEU N 12 N3H1s 0.700 1.640 3.251 14.856 13.655 1.088 possible 3594 462 A LEU CA 3 C4H1s 0.770 1.880 3.372 15.438 13.122 1.177 possible 3595 462 A LEU C 1 C3H0s 0.770 1.610 2.240 7.368 8.825 0.835 [OK] 3596 462 A LEU O 16 O1H0u 0.660 1.420 2.407 14.393 16.208 0.888 [OK] 3597 462 A LEU CB 8 C4H2s 0.770 1.880 3.174 21.341 22.951 0.930 possible 3598 462 A LEU CG 4 C4H1b 0.770 1.880 3.097 13.719 14.764 0.929 possible 3599 462 A LEU CD1 10 C4H3u 0.770 1.880 3.228 37.245 37.425 0.995 possible 3600 462 A LEU CD2 10 C4H3u 0.770 1.880 4.344 51.114 37.143 1.376 possible 3601 463 A THR N 12 N3H1s 0.700 1.640 2.703 12.755 13.832 0.922 [OK] 3602 463 A THR CA 3 C4H1s 0.770 1.880 2.762 12.625 13.099 0.964 [OK] 3603 463 A THR C 1 C3H0s 0.770 1.610 2.652 8.030 8.738 0.919 [OK] 3604 463 A THR O 16 O1H0u 0.660 1.420 2.563 16.537 16.020 1.032 [OK] 3605 463 A THR CB 4 C4H1b 0.770 1.880 3.153 15.042 14.829 1.014 possible 3606 463 A THR OG1 17 O2H1u 0.660 1.460 2.571 22.966 18.123 1.267 [OK] 3607 463 A THR CG2 10 C4H3u 0.770 1.880 3.220 43.306 36.542 1.185 possible 3608 464 A ALA N 12 N3H1s 0.700 1.640 2.617 12.699 14.046 0.904 [OK] 3609 464 A ALA CA 4 C4H1b 0.770 1.880 3.094 16.565 14.063 1.178 possible 3610 464 A ALA C 1 C3H0s 0.770 1.610 2.583 8.495 8.900 0.954 [OK] 3611 464 A ALA O 16 O1H0u 0.660 1.420 2.569 14.561 16.188 0.899 [OK] 3612 464 A ALA CB 10 C4H3u 0.770 1.880 3.003 34.454 36.782 0.937 possible 3613 465 A VAL N 12 N3H1s 0.700 1.640 2.578 12.279 13.676 0.898 [OK] 3614 465 A VAL CA 3 C4H1s 0.770 1.880 3.459 14.908 13.123 1.136 possible 3615 465 A VAL C 1 C3H0s 0.770 1.610 2.342 7.534 8.563 0.880 [OK] 3616 465 A VAL O 16 O1H0u 0.660 1.420 2.449 16.263 16.181 1.005 [OK] 3617 465 A VAL CB 4 C4H1b 0.770 1.880 3.536 18.831 14.598 1.290 possible 3618 465 A VAL CG1 10 C4H3u 0.770 1.880 3.233 37.063 36.584 1.013 possible 3619 465 A VAL CG2 10 C4H3u 0.770 1.880 3.282 42.014 36.332 1.156 possible 3620 466 A MET N 12 N3H1s 0.700 1.640 2.495 12.424 13.564 0.916 [OK] 3621 466 A MET CA 3 C4H1s 0.770 1.880 2.715 14.982 13.231 1.132 [OK] 3622 466 A MET C 1 C3H0s 0.770 1.610 2.325 8.099 8.782 0.922 [OK] 3623 466 A MET O 16 O1H0u 0.660 1.420 2.586 16.237 16.277 0.998 [OK] 3624 466 A MET CB 8 C4H2s 0.770 1.880 2.902 22.728 23.645 0.961 [OK] 3625 466 A MET CG 9 C4H2b 0.770 1.880 2.923 22.576 24.009 0.940 [OK] 3626 466 A MET SD 19 S2H0u 1.040 1.770 3.096 28.161 30.093 0.936 possible 3627 466 A MET CE 10 C4H3u 0.770 1.880 3.038 41.003 37.161 1.103 possible 3628 467 A LEU N 12 N3H1s 0.700 1.640 2.510 12.609 13.655 0.923 [OK] 3629 467 A LEU CA 3 C4H1s 0.770 1.880 2.937 13.374 13.122 1.019 [OK] 3630 467 A LEU C 1 C3H0s 0.770 1.610 2.586 8.182 8.825 0.927 [OK] 3631 467 A LEU O 16 O1H0u 0.660 1.420 2.232 13.832 16.208 0.853 [OK] 3632 467 A LEU CB 8 C4H2s 0.770 1.880 3.045 23.714 22.951 1.033 possible 3633 467 A LEU CG 4 C4H1b 0.770 1.880 3.038 18.725 14.764 1.268 possible 3634 467 A LEU CD1 10 C4H3u 0.770 1.880 3.094 39.098 37.425 1.045 possible 3635 467 A LEU CD2 10 C4H3u 0.770 1.880 2.991 37.064 37.143 0.998 [OK] 3636 468 A MET N 12 N3H1s 0.700 1.640 2.673 13.406 13.564 0.988 [OK] 3637 468 A MET CA 3 C4H1s 0.770 1.880 3.008 14.112 13.231 1.067 possible 3638 468 A MET C 1 C3H0s 0.770 1.610 2.628 7.793 8.782 0.887 [OK] 3639 468 A MET O 16 O1H0u 0.660 1.420 2.819 15.970 16.277 0.981 [OK] 3640 468 A MET CB 8 C4H2s 0.770 1.880 3.142 19.715 23.645 0.834 possible 3641 468 A MET CG 9 C4H2b 0.770 1.880 3.923 36.897 24.009 1.537 possible 3642 468 A MET SD 19 S2H0u 1.040 1.770 3.571 38.164 30.093 1.268 possible 3643 468 A MET CE 10 C4H3u 0.770 1.880 3.451 45.930 37.161 1.236 possible 3644 469 A VAL N 12 N3H1s 0.700 1.640 2.672 13.013 13.676 0.952 [OK] 3645 469 A VAL CA 3 C4H1s 0.770 1.880 3.195 16.403 13.123 1.250 possible 3646 469 A VAL C 1 C3H0s 0.770 1.610 2.690 7.991 8.563 0.933 [OK] 3647 469 A VAL O 16 O1H0u 0.660 1.420 2.949 16.953 16.181 1.048 [OK] 3648 469 A VAL CB 4 C4H1b 0.770 1.880 2.772 13.206 14.598 0.905 [OK] 3649 469 A VAL CG1 10 C4H3u 0.770 1.880 3.714 47.121 36.584 1.288 possible 3650 469 A VAL CG2 10 C4H3u 0.770 1.880 3.317 39.766 36.332 1.095 possible 3651 470 A PHE N 12 N3H1s 0.700 1.640 2.749 13.250 13.691 0.968 [OK] 3652 470 A PHE CA 3 C4H1s 0.770 1.880 3.174 15.964 13.449 1.187 possible 3653 470 A PHE C 1 C3H0s 0.770 1.610 2.252 7.692 8.753 0.879 [OK] 3654 470 A PHE O 16 O1H0u 0.660 1.420 2.427 14.528 16.151 0.900 [OK] 3655 470 A PHE CB 8 C4H2s 0.770 1.880 3.152 26.361 23.777 1.109 possible 3656 470 A PHE CG 2 C3H0b 0.770 1.610 2.501 9.277 9.721 0.954 [OK] 3657 470 A PHE CD1 5 C3H1s 0.770 1.760 3.192 20.579 20.405 1.009 possible 3658 470 A PHE CD2 6 C3H1b 0.770 1.760 2.813 21.053 21.051 1.000 [OK] 3659 470 A PHE CE1 6 C3H1b 0.770 1.760 2.742 19.755 21.580 0.915 [OK] 3660 470 A PHE CE2 6 C3H1b 0.770 1.760 3.040 23.105 21.680 1.066 possible 3661 470 A PHE CZ 6 C3H1b 0.770 1.760 3.381 24.290 21.666 1.121 possible 3662 471 A ILE N 12 N3H1s 0.700 1.640 2.314 12.286 13.633 0.901 [OK] 3663 471 A ILE CA 3 C4H1s 0.770 1.880 3.243 15.712 13.007 1.208 possible 3664 471 A ILE C 1 C3H0s 0.770 1.610 2.489 7.980 8.470 0.942 [OK] 3665 471 A ILE O 16 O1H0u 0.660 1.420 2.764 19.546 16.144 1.211 [OK] 3666 471 A ILE CB 4 C4H1b 0.770 1.880 3.104 14.515 14.227 1.020 possible 3667 471 A ILE CG1 9 C4H2b 0.770 1.880 3.185 25.512 24.187 1.055 possible 3668 471 A ILE CG2 10 C4H3u 0.770 1.880 3.945 52.591 35.961 1.462 possible 3669 471 A ILE CD1 10 C4H3u 0.770 1.880 3.859 40.158 38.377 1.046 possible 3670 472 A ILE N 12 N3H1s 0.700 1.640 2.646 13.251 13.633 0.972 [OK] 3671 472 A ILE CA 3 C4H1s 0.770 1.880 3.072 15.132 13.007 1.163 possible 3672 472 A ILE C 1 C3H0s 0.770 1.610 2.368 8.092 8.470 0.955 [OK] 3673 472 A ILE O 16 O1H0u 0.660 1.420 2.588 17.080 16.144 1.058 [OK] 3674 472 A ILE CB 4 C4H1b 0.770 1.880 3.121 14.347 14.227 1.008 possible 3675 472 A ILE CG1 9 C4H2b 0.770 1.880 3.638 29.587 24.187 1.223 possible 3676 472 A ILE CG2 10 C4H3u 0.770 1.880 4.831 55.430 35.961 1.541 possible 3677 472 A ILE CD1 10 C4H3u 0.770 1.880 5.112 53.284 38.377 1.388 possible 3678 473 A TRP N 12 N3H1s 0.700 1.640 2.357 12.219 13.791 0.886 [OK] 3679 473 A TRP CA 3 C4H1s 0.770 1.880 3.000 14.210 13.377 1.062 [OK] 3680 473 A TRP C 1 C3H0s 0.770 1.610 2.200 7.488 8.724 0.858 [OK] 3681 473 A TRP O 16 O1H0u 0.660 1.420 2.339 14.244 15.951 0.893 [OK] 3682 473 A TRP CB 8 C4H2s 0.770 1.880 3.595 27.988 24.004 1.166 possible 3683 473 A TRP CG 2 C3H0b 0.770 1.610 3.159 10.486 9.965 1.052 possible 3684 473 A TRP CD1 5 C3H1s 0.770 1.760 3.057 21.598 20.874 1.035 possible 3685 473 A TRP CD2 2 C3H0b 0.770 1.610 3.182 11.198 10.097 1.109 possible 3686 473 A TRP NE1 13 N3H1b 0.700 1.640 2.625 15.502 16.969 0.914 [OK] 3687 473 A TRP CE2 2 C3H0b 0.770 1.610 2.491 9.604 9.889 0.971 [OK] 3688 473 A TRP CE3 6 C3H1b 0.770 1.760 3.311 20.044 20.448 0.980 possible 3689 473 A TRP CZ2 6 C3H1b 0.770 1.760 2.639 21.493 21.012 1.023 [OK] 3690 473 A TRP CZ3 6 C3H1b 0.770 1.760 2.815 21.714 21.516 1.009 [OK] 3691 473 A TRP CH2 6 C3H1b 0.770 1.760 2.815 22.215 21.339 1.041 [OK] 3692 474 A GLU N 12 N3H1s 0.700 1.640 2.324 12.208 13.615 0.897 [OK] 3693 474 A GLU CA 3 C4H1s 0.770 1.880 2.921 13.574 13.399 1.013 [OK] 3694 474 A GLU C 1 C3H0s 0.770 1.610 1.969 7.543 8.675 0.870 [OK] 3695 474 A GLU O 16 O1H0u 0.660 1.420 2.424 14.719 16.023 0.919 [OK] 3696 474 A GLU CB 8 C4H2s 0.770 1.880 2.855 26.935 23.529 1.145 [OK] 3697 474 A GLU CG 8 C4H2s 0.770 1.880 3.289 33.362 23.513 1.419 possible 3698 474 A GLU CD 2 C3H0b 0.770 1.610 2.794 9.438 9.460 0.998 [OK] 3699 474 A GLU OE1 16 O1H0u 0.660 1.420 3.399 23.492 15.999 1.468 possible 3700 474 A GLU OE2 16 O1H0u 0.660 1.420 2.801 17.169 17.432 0.985 [OK] 3701 475 A ALA N 12 N3H1s 0.700 1.640 2.819 13.642 14.046 0.971 [OK] 3702 475 A ALA CA 4 C4H1b 0.770 1.880 2.782 14.177 14.063 1.008 [OK] 3703 475 A ALA C 1 C3H0s 0.770 1.610 2.948 8.509 8.900 0.956 [OK] 3704 475 A ALA O 16 O1H0u 0.660 1.420 2.687 21.123 16.188 1.305 [OK] 3705 475 A ALA CB 10 C4H3u 0.770 1.880 3.234 39.347 36.782 1.070 possible 3706 476 A PHE N 12 N3H1s 0.700 1.640 2.988 13.941 13.691 1.018 [OK] 3707 476 A PHE CA 3 C4H1s 0.770 1.880 2.887 14.467 13.449 1.076 [OK] 3708 476 A PHE C 1 C3H0s 0.770 1.610 2.491 8.814 8.753 1.007 [OK] 3709 476 A PHE O 16 O1H0u 0.660 1.420 3.190 22.755 16.151 1.409 possible 3710 476 A PHE CB 8 C4H2s 0.770 1.880 3.010 20.410 23.777 0.858 possible 3711 476 A PHE CG 2 C3H0b 0.770 1.610 2.897 10.490 9.721 1.079 [OK] 3712 476 A PHE CD1 5 C3H1s 0.770 1.760 3.102 19.947 20.405 0.978 possible 3713 476 A PHE CD2 6 C3H1b 0.770 1.760 3.409 25.831 21.051 1.227 possible 3714 476 A PHE CE1 6 C3H1b 0.770 1.760 3.483 25.526 21.580 1.183 possible 3715 476 A PHE CE2 6 C3H1b 0.770 1.760 4.982 33.238 21.680 1.533 possible 3716 476 A PHE CZ 6 C3H1b 0.770 1.760 4.973 34.571 21.666 1.596 possible 3717 477 A ALA N 12 N3H1s 0.700 1.640 2.494 12.366 14.046 0.880 [OK] 3718 477 A ALA CA 4 C4H1b 0.770 1.880 3.437 15.359 14.063 1.092 possible 3719 477 A ALA C 1 C3H0s 0.770 1.610 2.249 8.678 8.900 0.975 [OK] 3720 477 A ALA O 16 O1H0u 0.660 1.420 3.205 18.401 16.188 1.137 possible 3721 477 A ALA CB 10 C4H3u 0.770 1.880 2.923 34.107 36.782 0.927 [OK] 3722 478 A SER N 12 N3H1s 0.700 1.640 2.374 12.755 14.103 0.904 [OK] 3723 478 A SER CA 3 C4H1s 0.770 1.880 2.532 12.790 13.476 0.949 [OK] 3724 478 A SER C 1 C3H0s 0.770 1.610 2.340 8.857 8.923 0.993 [OK] 3725 478 A SER O 16 O1H0u 0.660 1.420 2.163 14.038 16.179 0.868 [OK] 3726 478 A SER CB 8 C4H2s 0.770 1.880 3.236 25.708 23.884 1.076 possible 3727 478 A SER OG 17 O2H1u 0.660 1.460 3.734 22.097 18.732 1.180 possible 3728 479 A LYS N 12 N3H1s 0.700 1.640 2.834 14.926 13.675 1.092 [OK] 3729 479 A LYS CA 3 C4H1s 0.770 1.880 2.910 13.698 13.324 1.028 [OK] 3730 479 A LYS C 1 C3H0s 0.770 1.610 2.360 8.890 8.759 1.015 [OK] 3731 479 A LYS O 16 O1H0u 0.660 1.420 2.879 18.026 16.049 1.123 [OK] 3732 479 A LYS CB 8 C4H2s 0.770 1.880 3.334 22.191 22.904 0.969 possible 3733 479 A LYS CG 8 C4H2s 0.770 1.880 2.984 24.250 23.131 1.048 [OK] 3734 479 A LYS CD 8 C4H2s 0.770 1.880 3.860 31.800 23.837 1.334 possible 3735 479 A LYS CE 9 C4H2b 0.770 1.880 3.889 29.317 23.934 1.225 possible 3736 479 A LYS NZ 14 N4H3u 0.700 1.640 4.688 51.839 21.213 2.444 possible 3737 480 A ARG N 12 N3H1s 0.700 1.640 2.975 17.389 13.650 1.274 [OK] 3738 480 A ARG CA 3 C4H1s 0.770 1.880 2.833 14.496 13.422 1.080 [OK] 3739 480 A ARG C 1 C3H0s 0.770 1.610 2.476 8.708 8.838 0.985 [OK] 3740 480 A ARG O 16 O1H0u 0.660 1.420 2.470 16.151 16.084 1.004 [OK] 3741 480 A ARG CB 8 C4H2s 0.770 1.880 3.180 22.249 23.088 0.964 possible 3742 480 A ARG CG 8 C4H2s 0.770 1.880 3.779 26.815 23.640 1.134 possible 3743 480 A ARG CD 8 C4H2s 0.770 1.880 17.007 -1.000 23.300 -1.000 bad 3744 480 A ARG NE 13 N3H1b 0.700 1.640 14.053 -1.000 15.569 -1.000 bad 3745 480 A ARG CZ 2 C3H0b 0.770 1.610 3.216 11.139 9.747 1.143 possible 3746 480 A ARG NH1 15 N3H2u 0.700 1.640 2.910 25.572 22.782 1.122 [OK] 3747 480 A ARG NH2 15 N3H2u 0.700 1.640 6.337 45.734 23.810 1.921 possible 3748 481 A GLU N 12 N3H1s 0.700 1.640 3.096 17.938 13.615 1.318 possible 3749 481 A GLU CA 3 C4H1s 0.770 1.880 2.472 11.613 13.399 0.867 [OK] 3750 481 A GLU C 1 C3H0s 0.770 1.610 2.690 9.068 8.675 1.045 [OK] 3751 481 A GLU O 16 O1H0u 0.660 1.420 2.532 15.059 16.023 0.940 [OK] 3752 481 A GLU CB 8 C4H2s 0.770 1.880 3.641 26.511 23.529 1.127 possible 3753 481 A GLU CG 8 C4H2s 0.770 1.880 3.342 26.790 23.513 1.139 possible 3754 481 A GLU CD 2 C3H0b 0.770 1.610 2.910 10.591 9.460 1.120 [OK] 3755 481 A GLU OE1 16 O1H0u 0.660 1.420 5.995 33.248 15.999 2.078 possible 3756 481 A GLU OE2 16 O1H0u 0.660 1.420 4.472 36.571 17.432 2.098 possible 3757 482 A VAL N 12 N3H1s 0.700 1.640 3.302 16.136 13.676 1.180 possible 3758 482 A VAL CA 3 C4H1s 0.770 1.880 3.066 13.825 13.123 1.054 possible 3759 482 A VAL C 1 C3H0s 0.770 1.610 2.507 8.559 8.563 1.000 [OK] 3760 482 A VAL O 16 O1H0u 0.660 1.420 3.338 27.883 16.181 1.723 possible 3761 482 A VAL CB 4 C4H1b 0.770 1.880 3.419 16.457 14.598 1.127 possible 3762 482 A VAL CG1 10 C4H3u 0.770 1.880 3.813 43.026 36.584 1.176 possible 3763 482 A VAL CG2 10 C4H3u 0.770 1.880 3.110 37.259 36.332 1.026 possible 3764 483 A LEU N 12 N3H1s 0.700 1.640 2.343 12.701 13.655 0.930 [OK] 3765 483 A LEU CA 3 C4H1s 0.770 1.880 3.094 12.976 13.122 0.989 possible 3766 483 A LEU C 1 C3H0s 0.770 1.610 2.714 9.259 8.825 1.049 [OK] 3767 483 A LEU O 16 O1H0u 0.660 1.420 3.385 38.109 16.208 2.351 possible 3768 483 A LEU CB 8 C4H2s 0.770 1.880 3.455 23.832 22.951 1.038 possible 3769 483 A LEU CG 4 C4H1b 0.770 1.880 2.827 13.274 14.764 0.899 [OK] 3770 483 A LEU CD1 10 C4H3u 0.770 1.880 7.935 95.990 37.425 2.565 possible 3771 483 A LEU CD2 10 C4H3u 0.770 1.880 3.117 34.096 37.143 0.918 possible 3772 484 A THR N 12 N3H1s 0.700 1.640 2.495 13.725 13.832 0.992 [OK] 3773 484 A THR CA 3 C4H1s 0.770 1.880 4.075 17.033 13.099 1.300 possible 3774 484 A THR C 1 C3H0s 0.770 1.610 2.898 9.639 8.738 1.103 [OK] 3775 484 A THR O 16 O1H0u 0.660 1.420 2.676 16.668 16.020 1.040 [OK] 3776 484 A THR CB 4 C4H1b 0.770 1.880 3.708 19.401 14.829 1.308 possible 3777 484 A THR OG1 17 O2H1u 0.660 1.460 3.755 30.561 18.123 1.686 possible 3778 484 A THR CG2 10 C4H3u 0.770 1.880 3.796 48.392 36.542 1.324 possible 3779 485 A VAL N 12 N3H1s 0.700 1.640 4.041 25.145 13.676 1.839 possible 3780 485 A VAL CA 3 C4H1s 0.770 1.880 2.772 12.163 13.123 0.927 [OK] 3781 485 A VAL C 1 C3H0s 0.770 1.610 3.168 9.660 8.563 1.128 possible 3782 485 A VAL O 16 O1H0u 0.660 1.420 4.213 35.025 16.181 2.165 possible 3783 485 A VAL CB 4 C4H1b 0.770 1.880 4.072 16.674 14.598 1.142 possible 3784 485 A VAL CG1 10 C4H3u 0.770 1.880 3.465 37.961 36.584 1.038 possible 3785 485 A VAL CG2 10 C4H3u 0.770 1.880 4.062 47.692 36.332 1.313 possible 3786 486 A ASP N 12 N3H1s 0.700 1.640 2.666 14.133 13.895 1.017 [OK] 3787 486 A ASP CA 3 C4H1s 0.770 1.880 4.187 19.771 13.377 1.478 possible 3788 486 A ASP C 1 C3H0s 0.770 1.610 2.534 8.742 8.816 0.992 [OK] 3789 486 A ASP O 16 O1H0u 0.660 1.420 2.679 17.263 16.091 1.073 [OK] 3790 486 A ASP CB 8 C4H2s 0.770 1.880 3.719 29.341 23.481 1.250 possible 3791 486 A ASP CG 2 C3H0b 0.770 1.610 3.122 10.973 9.422 1.165 possible 3792 486 A ASP OD1 16 O1H0u 0.660 1.420 3.266 22.118 15.505 1.427 possible 3793 486 A ASP OD2 16 O1H0u 0.660 1.420 4.111 29.479 16.324 1.806 possible 3794 487 A LEU N 12 N3H1s 0.700 1.640 4.792 34.544 13.655 2.530 possible 3795 487 A LEU CA 3 C4H1s 0.770 1.880 5.031 21.271 13.122 1.621 possible 3796 487 A LEU C 1 C3H0s 0.770 1.610 2.795 9.442 8.825 1.070 [OK] 3797 487 A LEU O 16 O1H0u 0.660 1.420 2.767 16.146 16.208 0.996 [OK] 3798 487 A LEU CB 8 C4H2s 0.770 1.880 3.310 22.714 22.951 0.990 possible 3799 487 A LEU CG 4 C4H1b 0.770 1.880 2.951 13.920 14.764 0.943 [OK] 3800 487 A LEU CD1 10 C4H3u 0.770 1.880 3.384 43.921 37.425 1.174 possible 3801 487 A LEU CD2 10 C4H3u 0.770 1.880 4.643 88.592 37.143 2.385 possible 3802 488 A THR N 12 N3H1s 0.700 1.640 4.242 18.777 13.832 1.358 possible 3803 488 A THR CA 3 C4H1s 0.770 1.880 3.227 15.072 13.099 1.151 possible 3804 488 A THR C 1 C3H0s 0.770 1.610 2.961 8.812 8.738 1.008 [OK] 3805 488 A THR O 16 O1H0u 0.660 1.420 2.708 19.720 16.020 1.231 [OK] 3806 488 A THR CB 4 C4H1b 0.770 1.880 3.025 14.802 14.829 0.998 possible 3807 488 A THR OG1 17 O2H1u 0.660 1.460 4.603 63.174 18.123 3.486 possible 3808 488 A THR CG2 10 C4H3u 0.770 1.880 4.294 53.267 36.542 1.458 possible 3809 489 A THR N 12 N3H1s 0.700 1.640 3.485 16.940 13.832 1.225 possible 3810 489 A THR CA 3 C4H1s 0.770 1.880 2.821 12.321 13.099 0.941 [OK] 3811 489 A THR C 1 C3H0s 0.770 1.610 2.381 8.217 8.738 0.940 [OK] 3812 489 A THR O 16 O1H0u 0.660 1.420 2.464 16.458 16.020 1.027 [OK] 3813 489 A THR CB 4 C4H1b 0.770 1.880 3.144 14.460 14.829 0.975 possible 3814 489 A THR OG1 17 O2H1u 0.660 1.460 4.164 50.193 18.123 2.770 possible 3815 489 A THR CG2 10 C4H3u 0.770 1.880 5.027 77.623 36.542 2.124 possible 3816 490 A THR N 12 N3H1s 0.700 1.640 2.734 13.278 13.832 0.960 [OK] 3817 490 A THR CA 3 C4H1s 0.770 1.880 3.318 15.422 13.099 1.177 possible 3818 490 A THR C 1 C3H0s 0.770 1.610 3.022 10.332 8.738 1.182 possible 3819 490 A THR O 16 O1H0u 0.660 1.420 3.726 41.416 16.020 2.585 possible 3820 490 A THR CB 4 C4H1b 0.770 1.880 2.909 14.503 14.829 0.978 [OK] 3821 490 A THR OG1 17 O2H1u 0.660 1.460 3.246 29.303 18.123 1.617 possible 3822 490 A THR CG2 10 C4H3u 0.770 1.880 3.473 41.159 36.542 1.126 possible 3823 491 A ASN N 12 N3H1s 0.700 1.640 2.632 14.380 13.695 1.050 [OK] 3824 491 A ASN CA 3 C4H1s 0.770 1.880 3.665 16.505 13.167 1.253 possible 3825 491 A ASN C 1 C3H0s 0.770 1.610 2.395 9.108 8.928 1.020 [OK] 3826 491 A ASN O 16 O1H0u 0.660 1.420 2.514 17.774 16.199 1.097 [OK] 3827 491 A ASN CB 8 C4H2s 0.770 1.880 3.299 24.968 23.128 1.080 possible 3828 491 A ASN CG 2 C3H0b 0.770 1.610 2.747 9.395 9.599 0.979 [OK] 3829 491 A ASN OD1 16 O1H0u 0.660 1.420 3.736 41.083 16.664 2.465 possible 3830 491 A ASN ND2 15 N3H2u 0.700 1.640 3.380 29.652 23.083 1.285 possible 3831 492 A LEU N 12 N3H1s 0.700 1.640 3.521 22.756 13.655 1.666 possible 3832 492 A LEU CA 3 C4H1s 0.770 1.880 2.929 15.082 13.122 1.149 [OK] 3833 492 A LEU C 1 C3H0s 0.770 1.610 2.507 8.237 8.825 0.933 [OK] 3834 492 A LEU O 16 O1H0u 0.660 1.420 2.935 19.965 16.208 1.232 [OK] 3835 492 A LEU CB 8 C4H2s 0.770 1.880 3.622 27.791 22.951 1.211 possible 3836 492 A LEU CG 4 C4H1b 0.770 1.880 2.801 14.074 14.764 0.953 [OK] 3837 492 A LEU CD1 10 C4H3u 0.770 1.880 3.139 35.928 37.425 0.960 possible 3838 492 A LEU CD2 10 C4H3u 0.770 1.880 2.884 36.384 37.143 0.980 [OK] 3839 493 A GLU N 12 N3H1s 0.700 1.640 2.843 14.588 13.615 1.071 [OK] 3840 493 A GLU CA 3 C4H1s 0.770 1.880 3.145 14.017 13.399 1.046 possible 3841 493 A GLU C 1 C3H0s 0.770 1.610 2.521 8.303 8.675 0.957 [OK] 3842 493 A GLU O 16 O1H0u 0.660 1.420 2.993 24.010 16.023 1.498 [OK] 3843 493 A GLU CB 8 C4H2s 0.770 1.880 2.873 24.359 23.529 1.035 [OK] 3844 493 A GLU CG 8 C4H2s 0.770 1.880 2.800 22.133 23.513 0.941 [OK] 3845 493 A GLU CD 2 C3H0b 0.770 1.610 2.517 9.624 9.460 1.017 [OK] 3846 493 A GLU OE1 16 O1H0u 0.660 1.420 3.216 23.607 15.999 1.476 possible 3847 493 A GLU OE2 16 O1H0u 0.660 1.420 3.079 23.636 17.432 1.356 possible 3848 494 A TRP N 12 N3H1s 0.700 1.640 2.536 12.614 13.791 0.915 [OK] 3849 494 A TRP CA 3 C4H1s 0.770 1.880 2.956 14.191 13.377 1.061 [OK] 3850 494 A TRP C 1 C3H0s 0.770 1.610 2.854 9.824 8.724 1.126 [OK] 3851 494 A TRP O 16 O1H0u 0.660 1.420 3.516 29.272 15.951 1.835 possible 3852 494 A TRP CB 8 C4H2s 0.770 1.880 3.027 25.589 24.004 1.066 possible 3853 494 A TRP CG 2 C3H0b 0.770 1.610 2.748 10.042 9.965 1.008 [OK] 3854 494 A TRP CD1 5 C3H1s 0.770 1.760 3.187 21.711 20.874 1.040 possible 3855 494 A TRP CD2 2 C3H0b 0.770 1.610 2.455 10.336 10.097 1.024 [OK] 3856 494 A TRP NE1 13 N3H1b 0.700 1.640 3.150 22.591 16.969 1.331 possible 3857 494 A TRP CE2 2 C3H0b 0.770 1.610 2.740 11.602 9.889 1.173 [OK] 3858 494 A TRP CE3 6 C3H1b 0.770 1.760 2.934 19.787 20.448 0.968 [OK] 3859 494 A TRP CZ2 6 C3H1b 0.770 1.760 3.698 23.977 21.012 1.141 possible 3860 494 A TRP CZ3 6 C3H1b 0.770 1.760 3.074 23.343 21.516 1.085 possible 3861 494 A TRP CH2 6 C3H1b 0.770 1.760 3.947 28.037 21.339 1.314 possible 3862 495 A LEU N 12 N3H1s 0.700 1.640 2.744 16.639 13.655 1.219 [OK] 3863 495 A LEU CA 3 C4H1s 0.770 1.880 3.667 13.614 13.122 1.037 possible 3864 495 A LEU C 1 C3H0s 0.770 1.610 2.846 9.300 8.825 1.054 [OK] 3865 495 A LEU O 16 O1H0u 0.660 1.420 3.150 18.935 16.208 1.168 possible 3866 495 A LEU CB 8 C4H2s 0.770 1.880 2.860 23.614 22.951 1.029 [OK] 3867 495 A LEU CG 4 C4H1b 0.770 1.880 3.024 16.836 14.764 1.140 possible 3868 495 A LEU CD1 10 C4H3u 0.770 1.880 3.092 36.722 37.425 0.981 possible 3869 495 A LEU CD2 10 C4H3u 0.770 1.880 5.010 56.475 37.143 1.520 possible 3870 496 A ASN N 12 N3H1s 0.700 1.640 3.027 17.371 13.695 1.268 possible 3871 496 A ASN CA 3 C4H1s 0.770 1.880 2.845 13.023 13.167 0.989 [OK] 3872 496 A ASN C 1 C3H0s 0.770 1.610 2.792 9.385 8.928 1.051 [OK] 3873 496 A ASN O 16 O1H0u 0.660 1.420 3.530 21.952 16.199 1.355 possible 3874 496 A ASN CB 8 C4H2s 0.770 1.880 3.471 25.492 23.128 1.102 possible 3875 496 A ASN CG 2 C3H0b 0.770 1.610 2.601 9.282 9.599 0.967 [OK] 3876 496 A ASN OD1 16 O1H0u 0.660 1.420 4.772 39.219 16.664 2.353 possible 3877 496 A ASN ND2 15 N3H2u 0.700 1.640 3.258 34.909 23.083 1.512 possible 3878 497 A GLY N 12 N3H1s 0.700 1.640 3.017 16.355 14.854 1.101 possible 3879 497 A GLY CA 8 C4H2s 0.770 1.880 4.096 33.945 23.688 1.433 possible 3880 497 A GLY C 2 C3H0b 0.770 1.610 3.085 10.836 9.840 1.101 possible 3881 497 A GLY O 16 O1H0u 0.660 1.420 2.834 19.202 16.391 1.171 [OK] 3882 498 A CYS N 12 N3H1s 0.700 1.640 4.259 29.607 13.981 2.118 possible 3883 498 A CYS CA 3 C4H1s 0.770 1.880 2.713 12.512 13.656 0.916 [OK] 3884 498 A CYS C 1 C3H0s 0.770 1.610 3.322 9.637 8.897 1.083 possible 3885 498 A CYS O 16 O1H0u 0.660 1.420 4.400 33.824 16.543 2.045 possible 3886 498 A CYS CB 9 C4H2b 0.770 1.880 3.261 21.936 23.536 0.932 possible 3887 498 A CYS SG 20 S2H1u 1.040 1.770 3.834 43.424 34.603 1.255 possible 3888 499 A PRO N 11 N3H0u 0.700 1.640 3.106 8.821 8.823 1.000 possible 3889 499 A PRO CA 4 C4H1b 0.770 1.880 2.716 11.973 13.955 0.858 [OK] 3890 499 A PRO C 1 C3H0s 0.770 1.610 2.242 8.278 8.812 0.939 [OK] 3891 499 A PRO O 16 O1H0u 0.660 1.420 4.597 37.847 16.169 2.341 possible 3892 499 A PRO CB 9 C4H2b 0.770 1.880 3.159 25.445 25.563 0.995 possible 3893 499 A PRO CG 9 C4H2b 0.770 1.880 3.627 31.988 25.832 1.238 possible 3894 499 A PRO CD 8 C4H2s 0.770 1.880 3.782 23.571 23.836 0.989 possible 3895 500 A PRO N 11 N3H0u 0.700 1.640 2.289 7.743 8.823 0.878 [OK] 3896 500 A PRO CA 4 C4H1b 0.770 1.880 2.550 12.811 13.955 0.918 [OK] 3897 500 A PRO C 1 C3H0s 0.770 1.610 2.586 8.426 8.812 0.956 [OK] 3898 500 A PRO O 16 O1H0u 0.660 1.420 3.196 27.517 16.169 1.702 possible 3899 500 A PRO CB 9 C4H2b 0.770 1.880 3.455 29.356 25.563 1.148 possible 3900 500 A PRO CG 9 C4H2b 0.770 1.880 2.930 23.065 25.832 0.893 [OK] 3901 500 A PRO CD 8 C4H2s 0.770 1.880 2.978 23.253 23.836 0.976 [OK] 3902 501 A PRO N 11 N3H0u 0.700 1.640 3.542 9.514 8.823 1.078 possible 3903 501 A PRO CA 4 C4H1b 0.770 1.880 4.245 19.578 13.955 1.403 possible 3904 501 A PRO C 1 C3H0s 0.770 1.610 2.733 8.805 8.812 0.999 [OK] 3905 501 A PRO O 16 O1H0u 0.660 1.420 2.402 14.776 16.169 0.914 [OK] 3906 501 A PRO CB 9 C4H2b 0.770 1.880 7.050 61.343 25.563 2.400 possible 3907 501 A PRO CG 9 C4H2b 0.770 1.880 6.077 60.002 25.832 2.323 possible 3908 501 A PRO CD 8 C4H2s 0.770 1.880 5.249 36.103 23.836 1.515 possible 3909 502 A TYR N 12 N3H1s 0.700 1.640 3.465 21.156 13.691 1.545 possible 3910 502 A TYR CA 3 C4H1s 0.770 1.880 3.807 19.972 13.330 1.498 possible 3911 502 A TYR C 1 C3H0s 0.770 1.610 2.354 7.769 8.770 0.886 [OK] 3912 502 A TYR O 16 O1H0u 0.660 1.420 2.963 19.315 16.124 1.198 [OK] 3913 502 A TYR CB 8 C4H2s 0.770 1.880 3.530 27.168 23.678 1.147 possible 3914 502 A TYR CG 2 C3H0b 0.770 1.610 2.656 10.771 9.732 1.107 [OK] 3915 502 A TYR CD1 5 C3H1s 0.770 1.760 3.558 26.008 20.171 1.289 possible 3916 502 A TYR CD2 5 C3H1s 0.770 1.760 2.738 21.215 20.728 1.024 [OK] 3917 502 A TYR CE1 5 C3H1s 0.770 1.760 2.645 19.549 20.675 0.946 [OK] 3918 502 A TYR CE2 5 C3H1s 0.770 1.760 4.040 29.134 20.810 1.400 possible 3919 502 A TYR CZ 2 C3H0b 0.770 1.610 2.255 8.566 9.926 0.863 [OK] 3920 502 A TYR OH 17 O2H1u 0.660 1.460 3.619 34.865 19.173 1.818 possible 3921 503 A HIS N 12 N3H1s 0.700 1.640 3.669 18.743 13.715 1.367 possible 3922 503 A HIS CA 3 C4H1s 0.770 1.880 3.332 13.672 13.467 1.015 possible 3923 503 A HIS C 1 C3H0s 0.770 1.610 2.528 9.240 8.882 1.040 [OK] 3924 503 A HIS O 16 O1H0u 0.660 1.420 5.261 40.177 16.082 2.498 possible 3925 503 A HIS CB 8 C4H2s 0.770 1.880 4.268 29.982 23.653 1.268 possible 3926 503 A HIS CG 2 C3H0b 0.770 1.610 3.008 11.104 9.952 1.116 possible 3927 503 A HIS ND1 13 N3H1b 0.700 1.640 3.632 25.750 15.506 1.661 possible 3928 503 A HIS CD2 5 C3H1s 0.770 1.760 3.587 30.258 21.085 1.435 possible 3929 503 A HIS CE1 5 C3H1s 0.770 1.760 6.298 61.546 20.636 2.982 possible 3930 503 A HIS NE2 13 N3H1b 0.700 1.640 4.168 35.979 15.337 2.346 possible 3931 504 A THR N 12 N3H1s 0.700 1.640 3.073 16.106 13.832 1.164 possible 3932 504 A THR CA 3 C4H1s 0.770 1.880 3.920 15.954 13.099 1.218 possible 3933 504 A THR C 1 C3H0s 0.770 1.610 2.778 9.125 8.738 1.044 [OK] 3934 504 A THR O 16 O1H0u 0.660 1.420 3.037 22.126 16.020 1.381 possible 3935 504 A THR CB 4 C4H1b 0.770 1.880 2.931 14.457 14.829 0.975 [OK] 3936 504 A THR OG1 17 O2H1u 0.660 1.460 2.761 22.355 18.123 1.234 [OK] 3937 504 A THR CG2 10 C4H3u 0.770 1.880 3.130 35.272 36.542 0.965 possible 3938 505 A PHE N 12 N3H1s 0.700 1.640 4.808 29.823 13.691 2.178 possible 3939 505 A PHE CA 3 C4H1s 0.770 1.880 4.060 17.637 13.449 1.311 possible 3940 505 A PHE C 1 C3H0s 0.770 1.610 2.537 8.696 8.753 0.993 [OK] 3941 505 A PHE O 16 O1H0u 0.660 1.420 2.961 19.721 16.151 1.221 [OK] 3942 505 A PHE CB 8 C4H2s 0.770 1.880 3.220 25.087 23.777 1.055 possible 3943 505 A PHE CG 2 C3H0b 0.770 1.610 2.746 9.013 9.721 0.927 [OK] 3944 505 A PHE CD1 5 C3H1s 0.770 1.760 3.607 27.052 20.405 1.326 possible 3945 505 A PHE CD2 6 C3H1b 0.770 1.760 2.885 20.244 21.051 0.962 [OK] 3946 505 A PHE CE1 6 C3H1b 0.770 1.760 3.088 20.524 21.580 0.951 possible 3947 505 A PHE CE2 6 C3H1b 0.770 1.760 3.240 23.347 21.680 1.077 possible 3948 505 A PHE CZ 6 C3H1b 0.770 1.760 3.342 22.148 21.666 1.022 possible 3949 506 A GLU N 12 N3H1s 0.700 1.640 5.003 24.294 13.615 1.784 possible 3950 506 A GLU CA 3 C4H1s 0.770 1.880 3.455 17.242 13.399 1.287 possible 3951 506 A GLU C 1 C3H0s 0.770 1.610 3.040 9.137 8.675 1.053 possible 3952 506 A GLU O 16 O1H0u 0.660 1.420 2.716 17.755 16.023 1.108 [OK] 3953 506 A GLU CB 8 C4H2s 0.770 1.880 5.762 43.799 23.529 1.861 possible 3954 506 A GLU CG 8 C4H2s 0.770 1.880 3.781 33.219 23.513 1.413 possible 3955 506 A GLU CD 2 C3H0b 0.770 1.610 3.061 10.013 9.460 1.059 possible 3956 506 A GLU OE1 16 O1H0u 0.660 1.420 36.541 -1.000 15.999 -1.000 bad 3957 506 A GLU OE2 16 O1H0u 0.660 1.420 3.556 37.443 17.432 2.148 possible 3958 507 A GLU N 12 N3H1s 0.700 1.640 4.922 20.452 13.615 1.502 possible 3959 507 A GLU CA 3 C4H1s 0.770 1.880 2.955 11.790 13.399 0.880 [OK] 3960 507 A GLU C 1 C3H0s 0.770 1.610 2.336 8.160 8.675 0.941 [OK] 3961 507 A GLU O 16 O1H0u 0.660 1.420 3.893 30.767 16.023 1.920 possible 3962 507 A GLU CB 8 C4H2s 0.770 1.880 5.289 46.085 23.529 1.959 possible 3963 507 A GLU CG 8 C4H2s 0.770 1.880 3.225 24.021 23.513 1.022 possible 3964 507 A GLU CD 2 C3H0b 0.770 1.610 2.476 9.271 9.460 0.980 [OK] 3965 507 A GLU OE1 16 O1H0u 0.660 1.420 3.951 25.745 15.999 1.609 possible 3966 507 A GLU OE2 16 O1H0u 0.660 1.420 3.057 23.350 17.432 1.340 possible 3967 508 A PRO N 11 N3H0u 0.700 1.640 2.706 9.434 8.823 1.069 [OK] 3968 508 A PRO CA 4 C4H1b 0.770 1.880 3.486 19.108 13.955 1.369 possible 3969 508 A PRO C 1 C3H0s 0.770 1.610 3.006 8.797 8.812 0.998 possible 3970 508 A PRO O 16 O1H0u 0.660 1.420 2.933 17.177 16.169 1.062 [OK] 3971 508 A PRO CB 9 C4H2b 0.770 1.880 4.329 45.167 25.563 1.767 possible 3972 508 A PRO CG 9 C4H2b 0.770 1.880 4.066 28.378 25.832 1.099 possible 3973 508 A PRO CD 8 C4H2s 0.770 1.880 2.881 23.012 23.836 0.965 [OK] 3974 509 A THR N 12 N3H1s 0.700 1.640 3.334 18.026 13.832 1.303 possible 3975 509 A THR CA 3 C4H1s 0.770 1.880 3.538 15.966 13.099 1.219 possible 3976 509 A THR C 1 C3H0s 0.770 1.610 2.420 8.800 8.738 1.007 [OK] 3977 509 A THR O 16 O1H0u 0.660 1.420 3.295 27.098 16.020 1.692 possible 3978 509 A THR CB 4 C4H1b 0.770 1.880 2.980 15.540 14.829 1.048 [OK] 3979 509 A THR OG1 17 O2H1u 0.660 1.460 3.174 23.744 18.123 1.310 possible 3980 509 A THR CG2 10 C4H3u 0.770 1.880 3.376 38.438 36.542 1.052 possible 3981 510 A TYR N 12 N3H1s 0.700 1.640 2.659 14.559 13.691 1.063 [OK] 3982 510 A TYR CA 3 C4H1s 0.770 1.880 3.545 15.694 13.330 1.177 possible 3983 510 A TYR C 1 C3H0s 0.770 1.610 2.392 7.840 8.770 0.894 [OK] 3984 510 A TYR O 16 O1H0u 0.660 1.420 2.693 15.416 16.124 0.956 [OK] 3985 510 A TYR CB 8 C4H2s 0.770 1.880 3.032 22.675 23.678 0.958 possible 3986 510 A TYR CG 2 C3H0b 0.770 1.610 2.393 9.204 9.732 0.946 [OK] 3987 510 A TYR CD1 5 C3H1s 0.770 1.760 3.861 25.082 20.171 1.243 possible 3988 510 A TYR CD2 5 C3H1s 0.770 1.760 3.259 20.662 20.728 0.997 possible 3989 510 A TYR CE1 5 C3H1s 0.770 1.760 4.018 23.797 20.675 1.151 possible 3990 510 A TYR CE2 5 C3H1s 0.770 1.760 3.070 19.803 20.810 0.952 possible 3991 510 A TYR CZ 2 C3H0b 0.770 1.610 2.451 9.570 9.926 0.964 [OK] 3992 510 A TYR OH 17 O2H1u 0.660 1.460 3.936 30.820 19.173 1.607 possible 3993 511 A VAL N 12 N3H1s 0.700 1.640 3.496 22.190 13.676 1.623 possible 3994 511 A VAL CA 3 C4H1s 0.770 1.880 2.869 12.225 13.123 0.932 [OK] 3995 511 A VAL C 1 C3H0s 0.770 1.610 2.432 8.559 8.563 0.999 [OK] 3996 511 A VAL O 16 O1H0u 0.660 1.420 3.061 19.558 16.181 1.209 possible 3997 511 A VAL CB 4 C4H1b 0.770 1.880 3.409 17.193 14.598 1.178 possible 3998 511 A VAL CG1 10 C4H3u 0.770 1.880 3.222 38.484 36.584 1.052 possible 3999 511 A VAL CG2 10 C4H3u 0.770 1.880 3.182 36.294 36.332 0.999 possible 4000 512 A ASN N 12 N3H1s 0.700 1.640 3.073 20.302 13.695 1.482 possible 4001 512 A ASN CA 3 C4H1s 0.770 1.880 2.499 11.870 13.167 0.902 [OK] 4002 512 A ASN C 1 C3H0s 0.770 1.610 2.255 8.099 8.928 0.907 [OK] 4003 512 A ASN O 16 O1H0u 0.660 1.420 2.935 22.039 16.199 1.361 [OK] 4004 512 A ASN CB 8 C4H2s 0.770 1.880 3.237 24.106 23.128 1.042 possible 4005 512 A ASN CG 2 C3H0b 0.770 1.610 2.935 9.872 9.599 1.028 [OK] 4006 512 A ASN OD1 16 O1H0u 0.660 1.420 2.761 18.086 16.664 1.085 [OK] 4007 512 A ASN ND2 15 N3H2u 0.700 1.640 2.759 23.266 23.083 1.008 [OK] 4008 513 A LEU N 12 N3H1s 0.700 1.640 2.614 14.718 13.655 1.078 [OK] 4009 513 A LEU CA 3 C4H1s 0.770 1.880 2.887 11.605 13.122 0.884 [OK] 4010 513 A LEU C 1 C3H0s 0.770 1.610 2.592 9.350 8.825 1.059 [OK] 4011 513 A LEU O 16 O1H0u 0.660 1.420 5.690 39.757 16.208 2.453 possible 4012 513 A LEU CB 8 C4H2s 0.770 1.880 2.932 23.246 22.951 1.013 [OK] 4013 513 A LEU CG 4 C4H1b 0.770 1.880 6.135 23.970 14.764 1.624 possible 4014 513 A LEU CD1 10 C4H3u 0.770 1.880 43.082 -1.000 37.425 -1.000 bad 4015 513 A LEU CD2 10 C4H3u 0.770 1.880 27.358 -1.000 37.143 -1.000 bad 4016 514 A LYS N 12 N3H1s 0.700 1.640 3.166 16.542 13.675 1.210 possible 4017 514 A LYS CA 3 C4H1s 0.770 1.880 6.479 24.343 13.324 1.827 possible 4018 514 A LYS C 1 C3H0s 0.770 1.610 3.989 11.256 8.759 1.285 possible 4019 514 A LYS O 16 O1H0u 0.660 1.420 33.909 -1.000 16.049 -1.000 bad 4020 514 A LYS CB 8 C4H2s 0.770 1.880 8.716 -1.000 22.904 -1.000 bad 4021 514 A LYS CG 8 C4H2s 0.770 1.880 5.935 -1.000 23.131 -1.000 bad 4022 514 A LYS CD 8 C4H2s 0.770 1.880 6.939 -1.000 23.837 -1.000 bad 4023 514 A LYS CE 9 C4H2b 0.770 1.880 6.218 54.282 23.934 2.268 possible 4024 514 A LYS NZ 14 N4H3u 0.700 1.640 3.097 28.388 21.213 1.338 possible 4025 514 A LYS OXT 16 O1H0u 0.660 1.420 5.068 44.050 1.420 31.021 possible 4027 515 a HEA FE a 25 DEFAULT 0.770 1.800 1.895 8.396 1.800 4.664 [OK] 4028 515 a HEA CHA 9 C4H2b 0.770 1.880 3.286 23.497 1.880 12.498 possible 4029 515 a HEA CHB 9 C4H2b 0.770 1.880 2.897 22.700 1.880 12.075 [OK] 4030 515 a HEA CHC 9 C4H2b 0.770 1.880 2.705 18.298 1.880 9.733 [OK] 4031 515 a HEA CHD 9 C4H2b 0.770 1.880 2.967 24.423 1.880 12.991 [OK] 4032 515 a HEA N A 14 N4H3u 0.700 1.640 2.535 9.647 1.640 5.882 [OK] 4033 515 a HEA C1A 9 C4H2b 0.770 1.880 2.791 11.239 1.880 5.978 [OK] 4034 515 a HEA C2A 9 C4H2b 0.770 1.880 2.464 10.641 1.880 5.660 [OK] 4035 515 a HEA C3A 9 C4H2b 0.770 1.880 3.013 11.566 1.880 6.152 possible 4036 515 a HEA C4A 9 C4H2b 0.770 1.880 2.911 11.841 1.880 6.298 [OK] 4037 515 a HEA CMA 9 C4H2b 0.770 1.880 3.043 21.978 1.880 11.691 possible 4038 515 a HEA OMA 17 O2H1u 0.660 1.460 2.536 17.892 1.460 12.255 [OK] 4039 515 a HEA CAA 9 C4H2b 0.770 1.880 3.268 21.741 1.880 11.564 possible 4040 515 a HEA CBA 9 C4H2b 0.770 1.880 3.010 23.787 1.880 12.653 possible 4041 515 a HEA CGA 9 C4H2b 0.770 1.880 2.675 10.452 1.880 5.559 [OK] 4042 515 a HEA O1A 17 O2H1u 0.660 1.460 2.738 18.743 1.460 12.838 [OK] 4043 515 a HEA O2A 17 O2H1u 0.660 1.460 2.856 22.195 1.460 15.202 [OK] 4044 515 a HEA N B 14 N4H3u 0.700 1.640 2.137 8.441 1.640 5.147 [OK] 4045 515 a HEA C1B 9 C4H2b 0.770 1.880 2.625 10.790 1.880 5.739 [OK] 4046 515 a HEA C2B 9 C4H2b 0.770 1.880 2.491 9.957 1.880 5.296 [OK] 4047 515 a HEA C3B 9 C4H2b 0.770 1.880 2.498 9.517 1.880 5.062 [OK] 4048 515 a HEA C4B 9 C4H2b 0.770 1.880 2.746 11.105 1.880 5.907 [OK] 4049 515 a HEA CMB 9 C4H2b 0.770 1.880 3.591 40.233 1.880 21.400 possible 4050 515 a HEA N C 14 N4H3u 0.700 1.640 2.401 9.618 1.640 5.865 [OK] 4051 515 a HEA C1C 9 C4H2b 0.770 1.880 2.788 11.132 1.880 5.921 [OK] 4052 515 a HEA C2C 9 C4H2b 0.770 1.880 2.976 12.577 1.880 6.690 [OK] 4053 515 a HEA C3C 9 C4H2b 0.770 1.880 2.896 11.112 1.880 5.911 [OK] 4054 515 a HEA C4C 9 C4H2b 0.770 1.880 3.082 12.887 1.880 6.855 possible 4055 515 a HEA CMC 9 C4H2b 0.770 1.880 3.111 37.688 1.880 20.047 possible 4056 515 a HEA CAC 9 C4H2b 0.770 1.880 2.823 19.246 1.880 10.237 [OK] 4057 515 a HEA CBC 9 C4H2b 0.770 1.880 3.123 36.251 1.880 19.282 possible 4058 515 a HEA N D 14 N4H3u 0.700 1.640 2.166 8.517 1.640 5.194 [OK] 4059 515 a HEA C1D 9 C4H2b 0.770 1.880 2.774 11.711 1.880 6.229 [OK] 4060 515 a HEA C2D 9 C4H2b 0.770 1.880 2.596 10.711 1.880 5.697 [OK] 4061 515 a HEA C3D 9 C4H2b 0.770 1.880 2.768 10.143 1.880 5.395 [OK] 4062 515 a HEA C4D 9 C4H2b 0.770 1.880 2.833 10.573 1.880 5.624 [OK] 4063 515 a HEA CMD 9 C4H2b 0.770 1.880 3.119 39.941 1.880 21.245 possible 4064 515 a HEA CAD 9 C4H2b 0.770 1.880 3.323 22.917 1.880 12.190 possible 4065 515 a HEA CBD 9 C4H2b 0.770 1.880 2.902 22.967 1.880 12.217 [OK] 4066 515 a HEA CGD 9 C4H2b 0.770 1.880 2.726 10.233 1.880 5.443 [OK] 4067 515 a HEA O1D 17 O2H1u 0.660 1.460 2.740 17.695 1.460 12.120 [OK] 4068 515 a HEA O2D 17 O2H1u 0.660 1.460 2.856 20.046 1.460 13.730 [OK] 4069 515 a HEA C11 9 C4H2b 0.770 1.880 3.628 15.199 1.880 8.084 possible 4070 515 a HEA O11 17 O2H1u 0.660 1.460 3.005 21.920 1.460 15.014 possible 4071 515 a HEA C12 9 C4H2b 0.770 1.880 3.572 23.285 1.880 12.386 possible 4072 515 a HEA C13 9 C4H2b 0.770 1.880 3.709 29.675 1.880 15.785 possible 4073 515 a HEA C14 9 C4H2b 0.770 1.880 3.030 23.568 1.880 12.536 possible 4074 515 a HEA C15 9 C4H2b 0.770 1.880 2.783 11.598 1.880 6.169 [OK] 4075 515 a HEA C16 9 C4H2b 0.770 1.880 3.104 25.801 1.880 13.724 possible 4076 515 a HEA C17 9 C4H2b 0.770 1.880 3.548 27.957 1.880 14.871 possible 4077 515 a HEA C18 9 C4H2b 0.770 1.880 3.554 30.295 1.880 16.115 possible 4078 515 a HEA C19 9 C4H2b 0.770 1.880 3.044 12.095 1.880 6.434 possible 4079 515 a HEA C20 9 C4H2b 0.770 1.880 3.382 27.253 1.880 14.496 possible 4080 515 a HEA C21 9 C4H2b 0.770 1.880 3.215 24.591 1.880 13.081 possible 4081 515 a HEA C22 9 C4H2b 0.770 1.880 2.802 20.044 1.880 10.661 [OK] 4082 515 a HEA C23 9 C4H2b 0.770 1.880 3.016 12.796 1.880 6.806 possible 4083 515 a HEA C24 9 C4H2b 0.770 1.880 4.538 48.329 1.880 25.707 possible 4084 515 a HEA C25 9 C4H2b 0.770 1.880 3.986 47.081 1.880 25.043 possible 4085 515 a HEA C26 9 C4H2b 0.770 1.880 3.392 40.467 1.880 21.525 possible 4086 515 a HEA C27 9 C4H2b 0.770 1.880 3.072 34.408 1.880 18.302 possible 4087 516 a HEA FE a 25 DEFAULT 0.770 1.800 1.883 9.190 1.800 5.106 [OK] 4088 516 a HEA CHA 9 C4H2b 0.770 1.880 3.011 21.984 1.880 11.694 possible 4089 516 a HEA CHB 9 C4H2b 0.770 1.880 2.865 19.764 1.880 10.513 [OK] 4090 516 a HEA CHC 9 C4H2b 0.770 1.880 3.262 23.040 1.880 12.255 possible 4091 516 a HEA CHD 9 C4H2b 0.770 1.880 3.116 20.163 1.880 10.725 possible 4092 516 a HEA N A 14 N4H3u 0.700 1.640 2.533 10.363 1.640 6.319 [OK] 4093 516 a HEA C1A 9 C4H2b 0.770 1.880 2.646 11.297 1.880 6.009 [OK] 4094 516 a HEA C2A 9 C4H2b 0.770 1.880 2.480 11.279 1.880 5.999 [OK] 4095 516 a HEA C3A 9 C4H2b 0.770 1.880 2.486 10.652 1.880 5.666 [OK] 4096 516 a HEA C4A 9 C4H2b 0.770 1.880 2.712 12.347 1.880 6.568 [OK] 4097 516 a HEA CMA 9 C4H2b 0.770 1.880 3.067 20.089 1.880 10.686 possible 4098 516 a HEA OMA 17 O2H1u 0.660 1.460 2.566 18.383 1.460 12.591 [OK] 4099 516 a HEA CAA 9 C4H2b 0.770 1.880 3.057 23.151 1.880 12.314 possible 4100 516 a HEA CBA 9 C4H2b 0.770 1.880 3.116 25.550 1.880 13.590 possible 4101 516 a HEA CGA 9 C4H2b 0.770 1.880 3.222 11.745 1.880 6.247 possible 4102 516 a HEA O1A 17 O2H1u 0.660 1.460 2.840 16.073 1.460 11.009 [OK] 4103 516 a HEA O2A 17 O2H1u 0.660 1.460 3.295 29.734 1.460 20.366 possible 4104 516 a HEA N B 14 N4H3u 0.700 1.640 2.639 9.342 1.640 5.697 [OK] 4105 516 a HEA C1B 9 C4H2b 0.770 1.880 3.066 11.526 1.880 6.131 possible 4106 516 a HEA C2B 9 C4H2b 0.770 1.880 3.227 13.053 1.880 6.943 possible 4107 516 a HEA C3B 9 C4H2b 0.770 1.880 2.876 11.627 1.880 6.185 [OK] 4108 516 a HEA C4B 9 C4H2b 0.770 1.880 2.846 12.373 1.880 6.581 [OK] 4109 516 a HEA CMB 9 C4H2b 0.770 1.880 3.323 36.886 1.880 19.620 possible 4110 516 a HEA N C 14 N4H3u 0.700 1.640 2.460 10.282 1.640 6.270 [OK] 4111 516 a HEA C1C 9 C4H2b 0.770 1.880 2.766 12.496 1.880 6.647 [OK] 4112 516 a HEA C2C 9 C4H2b 0.770 1.880 2.768 11.754 1.880 6.252 [OK] 4113 516 a HEA C3C 9 C4H2b 0.770 1.880 2.551 9.655 1.880 5.136 [OK] 4114 516 a HEA C4C 9 C4H2b 0.770 1.880 2.619 10.241 1.880 5.447 [OK] 4115 516 a HEA CMC 9 C4H2b 0.770 1.880 3.553 42.390 1.880 22.548 possible 4116 516 a HEA CAC 9 C4H2b 0.770 1.880 3.159 19.793 1.880 10.528 possible 4117 516 a HEA CBC 9 C4H2b 0.770 1.880 3.009 34.126 1.880 18.152 possible 4118 516 a HEA N D 14 N4H3u 0.700 1.640 2.151 8.989 1.640 5.481 [OK] 4119 516 a HEA C1D 9 C4H2b 0.770 1.880 2.554 10.541 1.880 5.607 [OK] 4120 516 a HEA C2D 9 C4H2b 0.770 1.880 3.234 11.946 1.880 6.354 possible 4121 516 a HEA C3D 9 C4H2b 0.770 1.880 3.209 11.711 1.880 6.229 possible 4122 516 a HEA C4D 9 C4H2b 0.770 1.880 2.879 11.353 1.880 6.039 [OK] 4123 516 a HEA CMD 9 C4H2b 0.770 1.880 3.288 44.332 1.880 23.581 possible 4124 516 a HEA CAD 9 C4H2b 0.770 1.880 3.081 21.672 1.880 11.528 possible 4125 516 a HEA CBD 9 C4H2b 0.770 1.880 3.244 24.100 1.880 12.819 possible 4126 516 a HEA CGD 9 C4H2b 0.770 1.880 2.560 9.349 1.880 4.973 [OK] 4127 516 a HEA O1D 17 O2H1u 0.660 1.460 3.655 34.933 1.460 23.927 possible 4128 516 a HEA O2D 17 O2H1u 0.660 1.460 2.771 21.734 1.460 14.886 [OK] 4129 516 a HEA C11 9 C4H2b 0.770 1.880 3.347 15.785 1.880 8.397 possible 4130 516 a HEA O11 17 O2H1u 0.660 1.460 3.217 22.493 1.460 15.407 possible 4131 516 a HEA C12 9 C4H2b 0.770 1.880 3.251 24.094 1.880 12.816 possible 4132 516 a HEA C13 9 C4H2b 0.770 1.880 3.275 28.301 1.880 15.054 possible 4133 516 a HEA C14 9 C4H2b 0.770 1.880 2.915 20.556 1.880 10.934 [OK] 4134 516 a HEA C15 9 C4H2b 0.770 1.880 2.729 10.502 1.880 5.586 [OK] 4135 516 a HEA C16 9 C4H2b 0.770 1.880 2.850 24.977 1.880 13.286 [OK] 4136 516 a HEA C17 9 C4H2b 0.770 1.880 2.941 25.219 1.880 13.414 [OK] 4137 516 a HEA C18 9 C4H2b 0.770 1.880 2.774 20.965 1.880 11.152 [OK] 4138 516 a HEA C19 9 C4H2b 0.770 1.880 2.673 10.957 1.880 5.828 [OK] 4139 516 a HEA C20 9 C4H2b 0.770 1.880 3.044 24.306 1.880 12.929 possible 4140 516 a HEA C21 9 C4H2b 0.770 1.880 3.810 30.139 1.880 16.031 possible 4141 516 a HEA C22 9 C4H2b 0.770 1.880 3.055 21.713 1.880 11.550 possible 4142 516 a HEA C23 9 C4H2b 0.770 1.880 2.884 12.637 1.880 6.722 [OK] 4143 516 a HEA C24 9 C4H2b 0.770 1.880 3.402 38.094 1.880 20.263 possible 4144 516 a HEA C25 9 C4H2b 0.770 1.880 3.646 45.514 1.880 24.210 possible 4145 516 a HEA C26 9 C4H2b 0.770 1.880 2.774 31.845 1.880 16.939 [OK] 4146 516 a HEA C27 9 C4H2b 0.770 1.880 3.015 39.228 1.880 20.866 possible 4147 517 a CU CU a 9 C4H2b 0.770 1.880 2.742 17.511 1.880 9.314 [OK] 4148 518 a MG MG a 25 DEFAULT 0.770 1.800 4.219 43.530 1.800 24.183 possible 4149 519 a NA NA a 14 N4H3u 0.700 1.640 3.089 27.736 1.640 16.912 possible 4150 520 a PER O1 17 O2H1u 0.660 1.460 2.518 16.057 1.460 10.998 [OK] 4151 520 a PER O2 17 O2H1u 0.660 1.460 2.793 18.906 1.460 12.950 [OK] 4152 1 B MET N 12 N3H1s 0.700 1.640 3.794 48.111 13.564 3.547 possible 4153 1 B MET CA 3 C4H1s 0.770 1.880 3.604 17.780 13.231 1.344 possible 4154 1 B MET C 1 C3H0s 0.770 1.610 2.272 8.021 8.782 0.913 [OK] 4155 1 B MET O 16 O1H0u 0.660 1.420 2.943 23.017 16.277 1.414 [OK] 4156 1 B MET CB 8 C4H2s 0.770 1.880 3.882 33.273 23.645 1.407 possible 4157 1 B MET CG 9 C4H2b 0.770 1.880 3.283 23.325 24.009 0.971 possible 4158 1 B MET SD 19 S2H0u 1.040 1.770 2.955 31.218 30.093 1.037 [OK] 4159 1 B MET CE 10 C4H3u 0.770 1.880 3.926 45.242 37.161 1.217 possible 4160 2 B ALA N 12 N3H1s 0.700 1.640 3.648 19.924 14.046 1.419 possible 4161 2 B ALA CA 4 C4H1b 0.770 1.880 2.570 12.037 14.063 0.856 [OK] 4162 2 B ALA C 1 C3H0s 0.770 1.610 2.707 9.493 8.900 1.067 [OK] 4163 2 B ALA O 16 O1H0u 0.660 1.420 3.053 21.281 16.188 1.315 possible 4164 2 B ALA CB 10 C4H3u 0.770 1.880 3.622 42.063 36.782 1.144 possible 4165 3 B TYR N 12 N3H1s 0.700 1.640 2.643 12.776 13.691 0.933 [OK] 4166 3 B TYR CA 3 C4H1s 0.770 1.880 3.187 13.946 13.330 1.046 possible 4167 3 B TYR C 1 C3H0s 0.770 1.610 2.218 8.169 8.770 0.931 [OK] 4168 3 B TYR O 16 O1H0u 0.660 1.420 3.153 19.571 16.124 1.214 possible 4169 3 B TYR CB 8 C4H2s 0.770 1.880 3.313 24.825 23.678 1.048 possible 4170 3 B TYR CG 2 C3H0b 0.770 1.610 2.455 9.446 9.732 0.971 [OK] 4171 3 B TYR CD1 5 C3H1s 0.770 1.760 2.796 21.145 20.171 1.048 [OK] 4172 3 B TYR CD2 5 C3H1s 0.770 1.760 3.619 26.914 20.728 1.298 possible 4173 3 B TYR CE1 5 C3H1s 0.770 1.760 3.144 24.177 20.675 1.169 possible 4174 3 B TYR CE2 5 C3H1s 0.770 1.760 4.422 34.488 20.810 1.657 possible 4175 3 B TYR CZ 2 C3H0b 0.770 1.610 2.367 8.544 9.926 0.861 [OK] 4176 3 B TYR OH 17 O2H1u 0.660 1.460 5.088 54.665 19.173 2.851 possible 4177 4 B PRO N 11 N3H0u 0.700 1.640 2.626 8.310 8.823 0.942 [OK] 4178 4 B PRO CA 4 C4H1b 0.770 1.880 3.044 13.152 13.955 0.942 possible 4179 4 B PRO C 1 C3H0s 0.770 1.610 2.484 8.669 8.812 0.984 [OK] 4180 4 B PRO O 16 O1H0u 0.660 1.420 3.670 22.039 16.169 1.363 possible 4181 4 B PRO CB 9 C4H2b 0.770 1.880 3.072 25.477 25.563 0.997 possible 4182 4 B PRO CG 9 C4H2b 0.770 1.880 4.042 40.412 25.832 1.564 possible 4183 4 B PRO CD 8 C4H2s 0.770 1.880 3.952 32.956 23.836 1.383 possible 4184 5 B MET N 12 N3H1s 0.700 1.640 3.194 22.287 13.564 1.643 possible 4185 5 B MET CA 3 C4H1s 0.770 1.880 3.157 15.503 13.231 1.172 possible 4186 5 B MET C 1 C3H0s 0.770 1.610 2.587 9.136 8.782 1.040 [OK] 4187 5 B MET O 16 O1H0u 0.660 1.420 4.392 39.042 16.277 2.399 possible 4188 5 B MET CB 8 C4H2s 0.770 1.880 3.781 23.044 23.645 0.975 possible 4189 5 B MET CG 9 C4H2b 0.770 1.880 3.028 25.771 24.009 1.073 possible 4190 5 B MET SD 19 S2H0u 1.040 1.770 6.332 48.343 30.093 1.606 possible 4191 5 B MET CE 10 C4H3u 0.770 1.880 55.882 -1.000 37.161 -1.000 bad 4192 6 B GLN N 12 N3H1s 0.700 1.640 3.434 18.305 13.616 1.344 possible 4193 6 B GLN CA 3 C4H1s 0.770 1.880 3.694 15.361 13.334 1.152 possible 4194 6 B GLN C 1 C3H0s 0.770 1.610 2.609 8.924 8.787 1.016 [OK] 4195 6 B GLN O 16 O1H0u 0.660 1.420 3.174 19.856 15.993 1.242 possible 4196 6 B GLN CB 8 C4H2s 0.770 1.880 3.642 24.136 23.275 1.037 possible 4197 6 B GLN CG 8 C4H2s 0.770 1.880 3.312 24.503 23.465 1.044 possible 4198 6 B GLN CD 2 C3H0b 0.770 1.610 2.222 8.368 9.659 0.866 [OK] 4199 6 B GLN OE1 16 O1H0u 0.660 1.420 2.654 16.427 17.091 0.961 [OK] 4200 6 B GLN NE2 15 N3H2u 0.700 1.640 2.881 24.194 24.150 1.002 [OK] 4201 7 B LEU N 12 N3H1s 0.700 1.640 4.443 21.805 13.655 1.597 possible 4202 7 B LEU CA 3 C4H1s 0.770 1.880 2.492 12.372 13.122 0.943 [OK] 4203 7 B LEU C 1 C3H0s 0.770 1.610 4.094 10.420 8.825 1.181 possible 4204 7 B LEU O 16 O1H0u 0.660 1.420 3.901 22.731 16.208 1.402 possible 4205 7 B LEU CB 8 C4H2s 0.770 1.880 7.649 63.870 22.951 2.783 possible 4206 7 B LEU CG 4 C4H1b 0.770 1.880 4.782 18.070 14.764 1.224 possible 4207 7 B LEU CD1 10 C4H3u 0.770 1.880 4.669 45.399 37.425 1.213 possible 4208 7 B LEU CD2 10 C4H3u 0.770 1.880 64.948 -1.000 37.143 -1.000 bad 4209 8 B GLY N 12 N3H1s 0.700 1.640 5.015 35.360 14.854 2.380 possible 4210 8 B GLY CA 8 C4H2s 0.770 1.880 5.109 51.749 23.688 2.185 possible 4211 8 B GLY C 2 C3H0b 0.770 1.610 3.056 10.197 9.840 1.036 possible 4212 8 B GLY O 16 O1H0u 0.660 1.420 2.601 16.373 16.391 0.999 [OK] 4213 9 B PHE N 12 N3H1s 0.700 1.640 3.786 24.558 13.691 1.794 possible 4214 9 B PHE CA 3 C4H1s 0.770 1.880 2.672 12.846 13.449 0.955 [OK] 4215 9 B PHE C 1 C3H0s 0.770 1.610 2.400 8.275 8.753 0.945 [OK] 4216 9 B PHE O 16 O1H0u 0.660 1.420 3.782 34.054 16.151 2.108 possible 4217 9 B PHE CB 8 C4H2s 0.770 1.880 3.211 22.384 23.777 0.941 possible 4218 9 B PHE CG 2 C3H0b 0.770 1.610 2.468 9.343 9.721 0.961 [OK] 4219 9 B PHE CD1 5 C3H1s 0.770 1.760 3.554 22.912 20.405 1.123 possible 4220 9 B PHE CD2 6 C3H1b 0.770 1.760 3.855 27.300 21.051 1.297 possible 4221 9 B PHE CE1 6 C3H1b 0.770 1.760 3.245 21.198 21.580 0.982 possible 4222 9 B PHE CE2 6 C3H1b 0.770 1.760 3.019 22.486 21.680 1.037 possible 4223 9 B PHE CZ 6 C3H1b 0.770 1.760 2.960 22.071 21.666 1.019 [OK] 4224 10 B GLN N 12 N3H1s 0.700 1.640 3.393 19.897 13.616 1.461 possible 4225 10 B GLN CA 3 C4H1s 0.770 1.880 3.237 15.242 13.334 1.143 possible 4226 10 B GLN C 1 C3H0s 0.770 1.610 2.626 8.384 8.787 0.954 [OK] 4227 10 B GLN O 16 O1H0u 0.660 1.420 3.094 22.872 15.993 1.430 possible 4228 10 B GLN CB 8 C4H2s 0.770 1.880 3.485 27.241 23.275 1.170 possible 4229 10 B GLN CG 8 C4H2s 0.770 1.880 3.402 27.101 23.465 1.155 possible 4230 10 B GLN CD 2 C3H0b 0.770 1.610 2.541 8.689 9.659 0.900 [OK] 4231 10 B GLN OE1 16 O1H0u 0.660 1.420 2.746 19.181 17.091 1.122 [OK] 4232 10 B GLN NE2 15 N3H2u 0.700 1.640 3.774 39.158 24.150 1.621 possible 4233 11 B ASP N 12 N3H1s 0.700 1.640 3.489 22.622 13.895 1.628 possible 4234 11 B ASP CA 3 C4H1s 0.770 1.880 3.397 13.771 13.377 1.029 possible 4235 11 B ASP C 1 C3H0s 0.770 1.610 2.496 8.316 8.816 0.943 [OK] 4236 11 B ASP O 16 O1H0u 0.660 1.420 3.479 22.760 16.091 1.414 possible 4237 11 B ASP CB 8 C4H2s 0.770 1.880 3.862 29.606 23.481 1.261 possible 4238 11 B ASP CG 2 C3H0b 0.770 1.610 2.786 9.378 9.422 0.995 [OK] 4239 11 B ASP OD1 16 O1H0u 0.660 1.420 3.780 33.091 15.505 2.134 possible 4240 11 B ASP OD2 16 O1H0u 0.660 1.420 2.645 15.685 16.324 0.961 [OK] 4241 12 B ALA N 12 N3H1s 0.700 1.640 2.824 16.122 14.046 1.148 [OK] 4242 12 B ALA CA 4 C4H1b 0.770 1.880 2.803 13.245 14.063 0.942 [OK] 4243 12 B ALA C 1 C3H0s 0.770 1.610 2.560 9.276 8.900 1.042 [OK] 4244 12 B ALA O 16 O1H0u 0.660 1.420 3.041 21.196 16.188 1.309 possible 4245 12 B ALA CB 10 C4H3u 0.770 1.880 3.031 32.459 36.782 0.882 possible 4246 13 B THR N 12 N3H1s 0.700 1.640 2.431 12.952 13.832 0.936 [OK] 4247 13 B THR CA 3 C4H1s 0.770 1.880 2.847 13.273 13.099 1.013 [OK] 4248 13 B THR C 1 C3H0s 0.770 1.610 3.253 10.449 8.738 1.196 possible 4249 13 B THR O 16 O1H0u 0.660 1.420 2.596 18.169 16.020 1.134 [OK] 4250 13 B THR CB 4 C4H1b 0.770 1.880 2.816 13.582 14.829 0.916 [OK] 4251 13 B THR OG1 17 O2H1u 0.660 1.460 3.562 23.462 18.123 1.295 possible 4252 13 B THR CG2 10 C4H3u 0.770 1.880 2.990 33.954 36.542 0.929 [OK] 4253 14 B SER N 12 N3H1s 0.700 1.640 2.870 15.165 14.103 1.075 [OK] 4254 14 B SER CA 3 C4H1s 0.770 1.880 2.781 13.163 13.476 0.977 [OK] 4255 14 B SER C 1 C3H0s 0.770 1.610 3.075 10.392 8.923 1.165 possible 4256 14 B SER O 16 O1H0u 0.660 1.420 3.047 17.967 16.179 1.110 possible 4257 14 B SER CB 8 C4H2s 0.770 1.880 3.536 23.962 23.884 1.003 possible 4258 14 B SER OG 17 O2H1u 0.660 1.460 3.171 20.198 18.732 1.078 possible 4259 15 B PRO N 11 N3H0u 0.700 1.640 3.031 9.427 8.823 1.068 possible 4260 15 B PRO CA 4 C4H1b 0.770 1.880 3.964 17.713 13.955 1.269 possible 4261 15 B PRO C 1 C3H0s 0.770 1.610 3.485 9.585 8.812 1.088 possible 4262 15 B PRO O 16 O1H0u 0.660 1.420 4.340 23.878 16.169 1.477 possible 4263 15 B PRO CB 9 C4H2b 0.770 1.880 34.018 -1.000 25.563 -1.000 bad 4264 15 B PRO CG 9 C4H2b 0.770 1.880 24.151 -1.000 25.832 -1.000 bad 4265 15 B PRO CD 8 C4H2s 0.770 1.880 4.106 32.288 23.836 1.355 possible 4266 16 B ILE N 12 N3H1s 0.700 1.640 3.315 16.662 13.633 1.222 possible 4267 16 B ILE CA 3 C4H1s 0.770 1.880 3.200 13.588 13.007 1.045 possible 4268 16 B ILE C 1 C3H0s 0.770 1.610 2.779 8.608 8.470 1.016 [OK] 4269 16 B ILE O 16 O1H0u 0.660 1.420 2.658 14.870 16.144 0.921 [OK] 4270 16 B ILE CB 4 C4H1b 0.770 1.880 3.238 18.348 14.227 1.290 possible 4271 16 B ILE CG1 9 C4H2b 0.770 1.880 3.759 27.132 24.187 1.122 possible 4272 16 B ILE CG2 10 C4H3u 0.770 1.880 5.781 79.995 35.961 2.224 possible 4273 16 B ILE CD1 10 C4H3u 0.770 1.880 4.059 66.784 38.377 1.740 possible 4274 17 B MET N 12 N3H1s 0.700 1.640 2.882 14.422 13.564 1.063 [OK] 4275 17 B MET CA 3 C4H1s 0.770 1.880 3.004 13.795 13.231 1.043 possible 4276 17 B MET C 1 C3H0s 0.770 1.610 2.081 7.819 8.782 0.890 [OK] 4277 17 B MET O 16 O1H0u 0.660 1.420 2.287 14.285 16.277 0.878 [OK] 4278 17 B MET CB 8 C4H2s 0.770 1.880 2.695 23.165 23.645 0.980 [OK] 4279 17 B MET CG 9 C4H2b 0.770 1.880 3.283 25.513 24.009 1.063 possible 4280 17 B MET SD 19 S2H0u 1.040 1.770 3.320 29.970 30.093 0.996 possible 4281 17 B MET CE 10 C4H3u 0.770 1.880 3.704 43.515 37.161 1.171 possible 4282 18 B GLU N 12 N3H1s 0.700 1.640 2.200 12.582 13.615 0.924 [OK] 4283 18 B GLU CA 3 C4H1s 0.770 1.880 3.396 14.978 13.399 1.118 possible 4284 18 B GLU C 1 C3H0s 0.770 1.610 3.015 8.182 8.675 0.943 possible 4285 18 B GLU O 16 O1H0u 0.660 1.420 2.864 16.985 16.023 1.060 [OK] 4286 18 B GLU CB 8 C4H2s 0.770 1.880 4.161 29.858 23.529 1.269 possible 4287 18 B GLU CG 8 C4H2s 0.770 1.880 3.413 25.268 23.513 1.075 possible 4288 18 B GLU CD 2 C3H0b 0.770 1.610 3.913 10.175 9.460 1.076 possible 4289 18 B GLU OE1 16 O1H0u 0.660 1.420 17.198 -1.000 15.999 -1.000 bad 4290 18 B GLU OE2 16 O1H0u 0.660 1.420 7.530 57.348 17.432 3.290 possible 4291 19 B GLU N 12 N3H1s 0.700 1.640 3.146 13.501 13.615 0.992 possible 4292 19 B GLU CA 3 C4H1s 0.770 1.880 3.335 15.852 13.399 1.183 possible 4293 19 B GLU C 1 C3H0s 0.770 1.610 2.331 8.048 8.675 0.928 [OK] 4294 19 B GLU O 16 O1H0u 0.660 1.420 3.742 20.499 16.023 1.279 possible 4295 19 B GLU CB 8 C4H2s 0.770 1.880 3.261 24.122 23.529 1.025 possible 4296 19 B GLU CG 8 C4H2s 0.770 1.880 4.743 33.595 23.513 1.429 possible 4297 19 B GLU CD 2 C3H0b 0.770 1.610 3.849 11.417 9.460 1.207 possible 4298 19 B GLU OE1 16 O1H0u 0.660 1.420 3.639 23.927 15.999 1.496 possible 4299 19 B GLU OE2 16 O1H0u 0.660 1.420 33.810 -1.000 17.432 -1.000 bad 4300 20 B LEU N 12 N3H1s 0.700 1.640 2.563 12.189 13.655 0.893 [OK] 4301 20 B LEU CA 3 C4H1s 0.770 1.880 2.889 12.816 13.122 0.977 [OK] 4302 20 B LEU C 1 C3H0s 0.770 1.610 2.874 9.073 8.825 1.028 [OK] 4303 20 B LEU O 16 O1H0u 0.660 1.420 2.646 16.127 16.208 0.995 [OK] 4304 20 B LEU CB 8 C4H2s 0.770 1.880 3.129 23.349 22.951 1.017 possible 4305 20 B LEU CG 4 C4H1b 0.770 1.880 3.197 15.090 14.764 1.022 possible 4306 20 B LEU CD1 10 C4H3u 0.770 1.880 3.407 47.919 37.425 1.280 possible 4307 20 B LEU CD2 10 C4H3u 0.770 1.880 3.132 37.560 37.143 1.011 possible 4308 21 B LEU N 12 N3H1s 0.700 1.640 2.829 13.585 13.655 0.995 [OK] 4309 21 B LEU CA 3 C4H1s 0.770 1.880 3.054 15.136 13.122 1.153 possible 4310 21 B LEU C 1 C3H0s 0.770 1.610 2.474 8.085 8.825 0.916 [OK] 4311 21 B LEU O 16 O1H0u 0.660 1.420 3.092 19.661 16.208 1.213 possible 4312 21 B LEU CB 8 C4H2s 0.770 1.880 3.138 22.040 22.951 0.960 possible 4313 21 B LEU CG 4 C4H1b 0.770 1.880 3.154 15.787 14.764 1.069 possible 4314 21 B LEU CD1 10 C4H3u 0.770 1.880 4.085 43.644 37.425 1.166 possible 4315 21 B LEU CD2 10 C4H3u 0.770 1.880 3.901 46.150 37.143 1.242 possible 4316 22 B HIS N 12 N3H1s 0.700 1.640 2.509 12.838 13.715 0.936 [OK] 4317 22 B HIS CA 3 C4H1s 0.770 1.880 3.624 15.037 13.467 1.117 possible 4318 22 B HIS C 1 C3H0s 0.770 1.610 4.175 9.102 8.882 1.025 possible 4319 22 B HIS O 16 O1H0u 0.660 1.420 4.643 27.605 16.082 1.717 possible 4320 22 B HIS CB 8 C4H2s 0.770 1.880 5.625 53.297 23.653 2.253 possible 4321 22 B HIS CG 2 C3H0b 0.770 1.610 2.717 10.440 9.952 1.049 [OK] 4322 22 B HIS ND1 13 N3H1b 0.700 1.640 5.500 40.599 15.506 2.618 possible 4323 22 B HIS CD2 5 C3H1s 0.770 1.760 3.501 25.915 21.085 1.229 possible 4324 22 B HIS CE1 5 C3H1s 0.770 1.760 6.618 55.482 20.636 2.689 possible 4325 22 B HIS NE2 13 N3H1b 0.700 1.640 3.080 21.847 15.337 1.424 possible 4326 23 B PHE N 12 N3H1s 0.700 1.640 4.486 16.214 13.691 1.184 possible 4327 23 B PHE CA 3 C4H1s 0.770 1.880 4.962 21.435 13.449 1.594 possible 4328 23 B PHE C 1 C3H0s 0.770 1.610 2.326 7.847 8.753 0.896 [OK] 4329 23 B PHE O 16 O1H0u 0.660 1.420 2.409 14.694 16.151 0.910 [OK] 4330 23 B PHE CB 8 C4H2s 0.770 1.880 4.112 24.700 23.777 1.039 possible 4331 23 B PHE CG 2 C3H0b 0.770 1.610 2.664 9.333 9.721 0.960 [OK] 4332 23 B PHE CD1 5 C3H1s 0.770 1.760 3.336 22.323 20.405 1.094 possible 4333 23 B PHE CD2 6 C3H1b 0.770 1.760 2.949 24.195 21.051 1.149 [OK] 4334 23 B PHE CE1 6 C3H1b 0.770 1.760 2.823 20.517 21.580 0.951 [OK] 4335 23 B PHE CE2 6 C3H1b 0.770 1.760 2.930 22.089 21.680 1.019 [OK] 4336 23 B PHE CZ 6 C3H1b 0.770 1.760 2.801 18.943 21.666 0.874 [OK] 4337 24 B HIS N 12 N3H1s 0.700 1.640 2.504 12.501 13.715 0.912 [OK] 4338 24 B HIS CA 3 C4H1s 0.770 1.880 2.891 14.169 13.467 1.052 [OK] 4339 24 B HIS C 1 C3H0s 0.770 1.610 2.293 8.143 8.882 0.917 [OK] 4340 24 B HIS O 16 O1H0u 0.660 1.420 2.616 15.061 16.082 0.937 [OK] 4341 24 B HIS CB 8 C4H2s 0.770 1.880 3.081 23.921 23.653 1.011 possible 4342 24 B HIS CG 2 C3H0b 0.770 1.610 2.388 8.654 9.952 0.870 [OK] 4343 24 B HIS ND1 13 N3H1b 0.700 1.640 3.863 28.941 15.506 1.866 possible 4344 24 B HIS CD2 5 C3H1s 0.770 1.760 3.182 28.005 21.085 1.328 possible 4345 24 B HIS CE1 5 C3H1s 0.770 1.760 4.115 33.931 20.636 1.644 possible 4346 24 B HIS NE2 13 N3H1b 0.700 1.640 3.445 27.247 15.337 1.777 possible 4347 25 B ASP N 12 N3H1s 0.700 1.640 2.556 12.891 13.895 0.928 [OK] 4348 25 B ASP CA 3 C4H1s 0.770 1.880 2.913 13.272 13.377 0.992 [OK] 4349 25 B ASP C 1 C3H0s 0.770 1.610 3.095 8.639 8.816 0.980 possible 4350 25 B ASP O 16 O1H0u 0.660 1.420 3.039 17.101 16.091 1.063 possible 4351 25 B ASP CB 8 C4H2s 0.770 1.880 3.694 26.444 23.481 1.126 possible 4352 25 B ASP CG 2 C3H0b 0.770 1.610 2.556 9.825 9.422 1.043 [OK] 4353 25 B ASP OD1 16 O1H0u 0.660 1.420 3.482 22.564 15.505 1.455 possible 4354 25 B ASP OD2 16 O1H0u 0.660 1.420 3.107 20.725 16.324 1.270 possible 4355 26 B HIS N 12 N3H1s 0.700 1.640 3.853 15.314 13.715 1.117 possible 4356 26 B HIS CA 3 C4H1s 0.770 1.880 4.165 20.712 13.467 1.538 possible 4357 26 B HIS C 1 C3H0s 0.770 1.610 2.597 8.092 8.882 0.911 [OK] 4358 26 B HIS O 16 O1H0u 0.660 1.420 2.498 16.878 16.082 1.050 [OK] 4359 26 B HIS CB 8 C4H2s 0.770 1.880 5.407 37.098 23.653 1.568 possible 4360 26 B HIS CG 2 C3H0b 0.770 1.610 5.061 14.836 9.952 1.491 possible 4361 26 B HIS ND1 13 N3H1b 0.700 1.640 5.431 43.439 15.506 2.801 possible 4362 26 B HIS CD2 5 C3H1s 0.770 1.760 3.675 29.156 21.085 1.383 possible 4363 26 B HIS CE1 5 C3H1s 0.770 1.760 24.986 -1.000 20.636 -1.000 bad 4364 26 B HIS NE2 13 N3H1b 0.700 1.640 3.865 21.546 15.337 1.405 possible 4365 27 B THR N 12 N3H1s 0.700 1.640 2.630 12.857 13.832 0.930 [OK] 4366 27 B THR CA 3 C4H1s 0.770 1.880 3.009 15.548 13.099 1.187 possible 4367 27 B THR C 1 C3H0s 0.770 1.610 2.689 8.192 8.738 0.938 [OK] 4368 27 B THR O 16 O1H0u 0.660 1.420 2.849 15.083 16.020 0.941 [OK] 4369 27 B THR CB 4 C4H1b 0.770 1.880 3.079 16.532 14.829 1.115 possible 4370 27 B THR OG1 17 O2H1u 0.660 1.460 2.659 22.896 18.123 1.263 [OK] 4371 27 B THR CG2 10 C4H3u 0.770 1.880 3.444 46.932 36.542 1.284 possible 4372 28 B LEU N 12 N3H1s 0.700 1.640 3.117 14.695 13.655 1.076 possible 4373 28 B LEU CA 3 C4H1s 0.770 1.880 3.328 13.123 13.122 1.000 possible 4374 28 B LEU C 1 C3H0s 0.770 1.610 2.664 8.537 8.825 0.967 [OK] 4375 28 B LEU O 16 O1H0u 0.660 1.420 2.406 14.663 16.208 0.905 [OK] 4376 28 B LEU CB 8 C4H2s 0.770 1.880 3.222 23.160 22.951 1.009 possible 4377 28 B LEU CG 4 C4H1b 0.770 1.880 2.902 13.114 14.764 0.888 [OK] 4378 28 B LEU CD1 10 C4H3u 0.770 1.880 4.859 71.512 37.425 1.911 possible 4379 28 B LEU CD2 10 C4H3u 0.770 1.880 5.714 73.614 37.143 1.982 possible 4380 29 B MET N 12 N3H1s 0.700 1.640 2.591 12.597 13.564 0.929 [OK] 4381 29 B MET CA 3 C4H1s 0.770 1.880 3.063 15.762 13.231 1.191 possible 4382 29 B MET C 1 C3H0s 0.770 1.610 2.719 7.761 8.782 0.884 [OK] 4383 29 B MET O 16 O1H0u 0.660 1.420 2.804 16.352 16.277 1.005 [OK] 4384 29 B MET CB 8 C4H2s 0.770 1.880 3.286 21.951 23.645 0.928 possible 4385 29 B MET CG 9 C4H2b 0.770 1.880 3.607 25.744 24.009 1.072 possible 4386 29 B MET SD 19 S2H0u 1.040 1.770 4.258 44.563 30.093 1.481 possible 4387 29 B MET CE 10 C4H3u 0.770 1.880 7.129 108.485 37.161 2.919 possible 4388 30 B ILE N 12 N3H1s 0.700 1.640 2.790 13.126 13.633 0.963 [OK] 4389 30 B ILE CA 3 C4H1s 0.770 1.880 3.332 14.189 13.007 1.091 possible 4390 30 B ILE C 1 C3H0s 0.770 1.610 2.554 7.714 8.470 0.911 [OK] 4391 30 B ILE O 16 O1H0u 0.660 1.420 2.710 14.405 16.144 0.892 [OK] 4392 30 B ILE CB 4 C4H1b 0.770 1.880 3.202 14.965 14.227 1.052 possible 4393 30 B ILE CG1 9 C4H2b 0.770 1.880 4.593 38.210 24.187 1.580 possible 4394 30 B ILE CG2 10 C4H3u 0.770 1.880 3.633 42.478 35.961 1.181 possible 4395 30 B ILE CD1 10 C4H3u 0.770 1.880 3.849 49.013 38.377 1.277 possible 4396 31 B VAL N 12 N3H1s 0.700 1.640 2.987 13.333 13.676 0.975 [OK] 4397 31 B VAL CA 3 C4H1s 0.770 1.880 3.451 15.742 13.123 1.200 possible 4398 31 B VAL C 1 C3H0s 0.770 1.610 2.306 7.593 8.563 0.887 [OK] 4399 31 B VAL O 16 O1H0u 0.660 1.420 2.665 15.960 16.181 0.986 [OK] 4400 31 B VAL CB 4 C4H1b 0.770 1.880 3.121 14.349 14.598 0.983 possible 4401 31 B VAL CG1 10 C4H3u 0.770 1.880 3.646 47.509 36.584 1.299 possible 4402 31 B VAL CG2 10 C4H3u 0.770 1.880 4.926 68.441 36.332 1.884 possible 4403 32 B PHE N 12 N3H1s 0.700 1.640 2.488 12.150 13.691 0.887 [OK] 4404 32 B PHE CA 3 C4H1s 0.770 1.880 2.908 12.646 13.449 0.940 [OK] 4405 32 B PHE C 1 C3H0s 0.770 1.610 2.793 8.659 8.753 0.989 [OK] 4406 32 B PHE O 16 O1H0u 0.660 1.420 3.340 19.606 16.151 1.214 possible 4407 32 B PHE CB 8 C4H2s 0.770 1.880 3.395 30.059 23.777 1.264 possible 4408 32 B PHE CG 2 C3H0b 0.770 1.610 4.128 13.222 9.721 1.360 possible 4409 32 B PHE CD1 5 C3H1s 0.770 1.760 5.636 42.738 20.405 2.095 possible 4410 32 B PHE CD2 6 C3H1b 0.770 1.760 4.541 27.216 21.051 1.293 possible 4411 32 B PHE CE1 6 C3H1b 0.770 1.760 7.735 108.453 21.580 5.026 possible 4412 32 B PHE CE2 6 C3H1b 0.770 1.760 4.873 30.526 21.680 1.408 possible 4413 32 B PHE CZ 6 C3H1b 0.770 1.760 25.559 -1.000 21.666 -1.000 bad 4414 33 B LEU N 12 N3H1s 0.700 1.640 2.813 13.588 13.655 0.995 [OK] 4415 33 B LEU CA 3 C4H1s 0.770 1.880 3.011 15.766 13.122 1.202 possible 4416 33 B LEU C 1 C3H0s 0.770 1.610 2.207 7.499 8.825 0.850 [OK] 4417 33 B LEU O 16 O1H0u 0.660 1.420 2.279 13.405 16.208 0.827 [OK] 4418 33 B LEU CB 8 C4H2s 0.770 1.880 3.199 21.259 22.951 0.926 possible 4419 33 B LEU CG 4 C4H1b 0.770 1.880 2.741 16.092 14.764 1.090 [OK] 4420 33 B LEU CD1 10 C4H3u 0.770 1.880 5.329 85.511 37.425 2.285 possible 4421 33 B LEU CD2 10 C4H3u 0.770 1.880 3.950 46.763 37.143 1.259 possible 4422 34 B ILE N 12 N3H1s 0.700 1.640 2.495 13.041 13.633 0.957 [OK] 4423 34 B ILE CA 3 C4H1s 0.770 1.880 2.904 13.718 13.007 1.055 [OK] 4424 34 B ILE C 1 C3H0s 0.770 1.610 2.545 7.457 8.470 0.880 [OK] 4425 34 B ILE O 16 O1H0u 0.660 1.420 2.752 15.442 16.144 0.957 [OK] 4426 34 B ILE CB 4 C4H1b 0.770 1.880 2.844 14.500 14.227 1.019 [OK] 4427 34 B ILE CG1 9 C4H2b 0.770 1.880 3.279 26.586 24.187 1.099 possible 4428 34 B ILE CG2 10 C4H3u 0.770 1.880 3.332 38.912 35.961 1.082 possible 4429 34 B ILE CD1 10 C4H3u 0.770 1.880 4.111 54.790 38.377 1.428 possible 4430 35 B SER N 12 N3H1s 0.700 1.640 2.578 13.754 14.103 0.975 [OK] 4431 35 B SER CA 3 C4H1s 0.770 1.880 3.244 15.672 13.476 1.163 possible 4432 35 B SER C 1 C3H0s 0.770 1.610 3.360 8.839 8.923 0.991 possible 4433 35 B SER O 16 O1H0u 0.660 1.420 3.546 19.960 16.179 1.234 possible 4434 35 B SER CB 8 C4H2s 0.770 1.880 3.611 33.121 23.884 1.387 possible 4435 35 B SER OG 17 O2H1u 0.660 1.460 4.863 44.545 18.732 2.378 possible 4436 36 B SER N 12 N3H1s 0.700 1.640 3.357 13.368 14.103 0.948 possible 4437 36 B SER CA 3 C4H1s 0.770 1.880 4.442 18.649 13.476 1.384 possible 4438 36 B SER C 1 C3H0s 0.770 1.610 2.500 8.694 8.923 0.974 [OK] 4439 36 B SER O 16 O1H0u 0.660 1.420 3.947 24.257 16.179 1.499 possible 4440 36 B SER CB 8 C4H2s 0.770 1.880 5.116 44.885 23.884 1.879 possible 4441 36 B SER OG 17 O2H1u 0.660 1.460 2.959 21.967 18.732 1.173 [OK] 4442 37 B LEU N 12 N3H1s 0.700 1.640 2.410 11.900 13.655 0.872 [OK] 4443 37 B LEU CA 3 C4H1s 0.770 1.880 3.180 14.662 13.122 1.117 possible 4444 37 B LEU C 1 C3H0s 0.770 1.610 2.862 8.082 8.825 0.916 [OK] 4445 37 B LEU O 16 O1H0u 0.660 1.420 2.676 15.362 16.208 0.948 [OK] 4446 37 B LEU CB 8 C4H2s 0.770 1.880 2.989 21.069 22.951 0.918 [OK] 4447 37 B LEU CG 4 C4H1b 0.770 1.880 3.633 18.246 14.764 1.236 possible 4448 37 B LEU CD1 10 C4H3u 0.770 1.880 3.981 44.089 37.425 1.178 possible 4449 37 B LEU CD2 10 C4H3u 0.770 1.880 4.717 73.752 37.143 1.986 possible 4450 38 B VAL N 12 N3H1s 0.700 1.640 2.991 13.749 13.676 1.005 [OK] 4451 38 B VAL CA 3 C4H1s 0.770 1.880 3.240 15.725 13.123 1.198 possible 4452 38 B VAL C 1 C3H0s 0.770 1.610 2.484 7.765 8.563 0.907 [OK] 4453 38 B VAL O 16 O1H0u 0.660 1.420 2.599 16.237 16.181 1.003 [OK] 4454 38 B VAL CB 4 C4H1b 0.770 1.880 3.247 15.623 14.598 1.070 possible 4455 38 B VAL CG1 10 C4H3u 0.770 1.880 3.226 43.220 36.584 1.181 possible 4456 38 B VAL CG2 10 C4H3u 0.770 1.880 3.241 42.198 36.332 1.161 possible 4457 39 B LEU N 12 N3H1s 0.700 1.640 2.594 13.921 13.655 1.019 [OK] 4458 39 B LEU CA 3 C4H1s 0.770 1.880 3.039 14.598 13.122 1.112 possible 4459 39 B LEU C 1 C3H0s 0.770 1.610 3.134 8.691 8.825 0.985 possible 4460 39 B LEU O 16 O1H0u 0.660 1.420 3.763 20.567 16.208 1.269 possible 4461 39 B LEU CB 8 C4H2s 0.770 1.880 3.700 22.945 22.951 1.000 possible 4462 39 B LEU CG 4 C4H1b 0.770 1.880 5.563 30.124 14.764 2.040 possible 4463 39 B LEU CD1 10 C4H3u 0.770 1.880 27.620 -1.000 37.425 -1.000 bad 4464 39 B LEU CD2 10 C4H3u 0.770 1.880 50.731 -1.000 37.143 -1.000 bad 4465 40 B TYR N 12 N3H1s 0.700 1.640 4.061 15.211 13.691 1.111 possible 4466 40 B TYR CA 3 C4H1s 0.770 1.880 4.888 20.705 13.330 1.553 possible 4467 40 B TYR C 1 C3H0s 0.770 1.610 2.303 7.893 8.770 0.900 [OK] 4468 40 B TYR O 16 O1H0u 0.660 1.420 2.858 13.821 16.124 0.857 [OK] 4469 40 B TYR CB 8 C4H2s 0.770 1.880 4.501 31.147 23.678 1.315 possible 4470 40 B TYR CG 2 C3H0b 0.770 1.610 3.170 11.042 9.732 1.135 possible 4471 40 B TYR CD1 5 C3H1s 0.770 1.760 3.343 20.041 20.171 0.994 possible 4472 40 B TYR CD2 5 C3H1s 0.770 1.760 7.920 54.209 20.728 2.615 possible 4473 40 B TYR CE1 5 C3H1s 0.770 1.760 3.910 23.424 20.675 1.133 possible 4474 40 B TYR CE2 5 C3H1s 0.770 1.760 15.361 -1.000 20.810 -1.000 bad 4475 40 B TYR CZ 2 C3H0b 0.770 1.610 5.081 14.893 9.926 1.500 possible 4476 40 B TYR OH 17 O2H1u 0.660 1.460 16.081 -1.000 19.173 -1.000 bad 4477 41 B ILE N 12 N3H1s 0.700 1.640 2.610 13.352 13.633 0.979 [OK] 4478 41 B ILE CA 3 C4H1s 0.770 1.880 2.746 12.424 13.007 0.955 [OK] 4479 41 B ILE C 1 C3H0s 0.770 1.610 2.565 7.557 8.470 0.892 [OK] 4480 41 B ILE O 16 O1H0u 0.660 1.420 2.394 12.619 16.144 0.782 [OK] 4481 41 B ILE CB 4 C4H1b 0.770 1.880 2.930 14.905 14.227 1.048 [OK] 4482 41 B ILE CG1 9 C4H2b 0.770 1.880 4.700 37.309 24.187 1.543 possible 4483 41 B ILE CG2 10 C4H3u 0.770 1.880 4.714 52.736 35.961 1.466 possible 4484 41 B ILE CD1 10 C4H3u 0.770 1.880 4.362 41.050 38.377 1.070 possible 4485 42 B ILE N 12 N3H1s 0.700 1.640 2.591 14.024 13.633 1.029 [OK] 4486 42 B ILE CA 3 C4H1s 0.770 1.880 3.029 15.112 13.007 1.162 possible 4487 42 B ILE C 1 C3H0s 0.770 1.610 2.259 7.053 8.470 0.833 [OK] 4488 42 B ILE O 16 O1H0u 0.660 1.420 2.458 15.342 16.144 0.950 [OK] 4489 42 B ILE CB 4 C4H1b 0.770 1.880 2.919 14.888 14.227 1.046 [OK] 4490 42 B ILE CG1 9 C4H2b 0.770 1.880 3.034 23.928 24.187 0.989 possible 4491 42 B ILE CG2 10 C4H3u 0.770 1.880 5.755 56.376 35.961 1.568 possible 4492 42 B ILE CD1 10 C4H3u 0.770 1.880 4.059 46.655 38.377 1.216 possible 4493 43 B SER N 12 N3H1s 0.700 1.640 3.167 13.348 14.103 0.946 possible 4494 43 B SER CA 3 C4H1s 0.770 1.880 4.423 20.696 13.476 1.536 possible 4495 43 B SER C 1 C3H0s 0.770 1.610 3.061 8.417 8.923 0.943 possible 4496 43 B SER O 16 O1H0u 0.660 1.420 3.445 18.977 16.179 1.173 possible 4497 43 B SER CB 8 C4H2s 0.770 1.880 36.459 -1.000 23.884 -1.000 bad 4498 43 B SER OG 17 O2H1u 0.660 1.460 16.178 -1.000 18.732 -1.000 bad 4499 44 B LEU N 12 N3H1s 0.700 1.640 3.119 12.028 13.655 0.881 possible 4500 44 B LEU CA 3 C4H1s 0.770 1.880 4.281 16.699 13.122 1.273 possible 4501 44 B LEU C 1 C3H0s 0.770 1.610 2.349 8.199 8.825 0.929 [OK] 4502 44 B LEU O 16 O1H0u 0.660 1.420 3.326 18.666 16.208 1.152 possible 4503 44 B LEU CB 8 C4H2s 0.770 1.880 3.511 20.978 22.951 0.914 possible 4504 44 B LEU CG 4 C4H1b 0.770 1.880 3.754 17.919 14.764 1.214 possible 4505 44 B LEU CD1 10 C4H3u 0.770 1.880 4.941 45.323 37.425 1.211 possible 4506 44 B LEU CD2 10 C4H3u 0.770 1.880 3.212 42.137 37.143 1.134 possible 4507 45 B MET N 12 N3H1s 0.700 1.640 2.268 11.866 13.564 0.875 [OK] 4508 45 B MET CA 3 C4H1s 0.770 1.880 3.739 16.450 13.231 1.243 possible 4509 45 B MET C 1 C3H0s 0.770 1.610 2.655 8.976 8.782 1.022 [OK] 4510 45 B MET O 16 O1H0u 0.660 1.420 3.168 33.901 16.277 2.083 possible 4511 45 B MET CB 8 C4H2s 0.770 1.880 2.958 25.552 23.645 1.081 [OK] 4512 45 B MET CG 9 C4H2b 0.770 1.880 3.029 24.391 24.009 1.016 possible 4513 45 B MET SD 19 S2H0u 1.040 1.770 4.238 32.554 30.093 1.082 possible 4514 45 B MET CE 10 C4H3u 0.770 1.880 4.920 49.347 37.161 1.328 possible 4515 46 B LEU N 12 N3H1s 0.700 1.640 2.291 12.945 13.655 0.948 [OK] 4516 46 B LEU CA 3 C4H1s 0.770 1.880 3.279 15.039 13.122 1.146 possible 4517 46 B LEU C 1 C3H0s 0.770 1.610 3.332 11.307 8.825 1.281 possible 4518 46 B LEU O 16 O1H0u 0.660 1.420 6.458 56.180 16.208 3.466 possible 4519 46 B LEU CB 8 C4H2s 0.770 1.880 4.384 26.428 22.951 1.152 possible 4520 46 B LEU CG 4 C4H1b 0.770 1.880 2.897 14.915 14.764 1.010 [OK] 4521 46 B LEU CD1 10 C4H3u 0.770 1.880 5.911 54.819 37.425 1.465 possible 4522 46 B LEU CD2 10 C4H3u 0.770 1.880 3.254 40.270 37.143 1.084 possible 4523 47 B THR N 12 N3H1s 0.700 1.640 2.709 14.928 13.832 1.079 [OK] 4524 47 B THR CA 3 C4H1s 0.770 1.880 6.174 21.970 13.099 1.677 possible 4525 47 B THR C 1 C3H0s 0.770 1.610 4.844 15.057 8.738 1.723 possible 4526 47 B THR O 16 O1H0u 0.660 1.420 19.363 -1.000 16.020 -1.000 bad 4527 47 B THR CB 4 C4H1b 0.770 1.880 10.932 -1.000 14.829 -1.000 bad 4528 47 B THR OG1 17 O2H1u 0.660 1.460 5.907 40.311 18.123 2.224 possible 4529 47 B THR CG2 10 C4H3u 0.770 1.880 48.037 -1.000 36.542 -1.000 bad 4530 48 B THR N 12 N3H1s 0.700 1.640 4.142 22.279 13.832 1.611 possible 4531 48 B THR CA 3 C4H1s 0.770 1.880 3.976 16.871 13.099 1.288 possible 4532 48 B THR C 1 C3H0s 0.770 1.610 3.595 10.475 8.738 1.199 possible 4533 48 B THR O 16 O1H0u 0.660 1.420 4.081 42.879 16.020 2.677 possible 4534 48 B THR CB 4 C4H1b 0.770 1.880 3.014 13.031 14.829 0.879 possible 4535 48 B THR OG1 17 O2H1u 0.660 1.460 3.553 24.891 18.123 1.373 possible 4536 48 B THR CG2 10 C4H3u 0.770 1.880 3.896 48.939 36.542 1.339 possible 4537 49 B LYS N 12 N3H1s 0.700 1.640 4.133 20.569 13.675 1.504 possible 4538 49 B LYS CA 3 C4H1s 0.770 1.880 3.236 14.656 13.324 1.100 possible 4539 49 B LYS C 1 C3H0s 0.770 1.610 2.755 9.676 8.759 1.105 [OK] 4540 49 B LYS O 16 O1H0u 0.660 1.420 2.924 19.774 16.049 1.232 [OK] 4541 49 B LYS CB 8 C4H2s 0.770 1.880 4.203 30.412 22.904 1.328 possible 4542 49 B LYS CG 8 C4H2s 0.770 1.880 7.238 86.272 23.131 3.730 possible 4543 49 B LYS CD 8 C4H2s 0.770 1.880 5.162 47.862 23.837 2.008 possible 4544 49 B LYS CE 9 C4H2b 0.770 1.880 41.709 -1.000 23.934 -1.000 bad 4545 49 B LYS NZ 14 N4H3u 0.700 1.640 6.295 121.620 21.213 5.733 possible 4546 50 B LEU N 12 N3H1s 0.700 1.640 2.612 13.933 13.655 1.020 [OK] 4547 50 B LEU CA 3 C4H1s 0.770 1.880 3.299 15.042 13.122 1.146 possible 4548 50 B LEU C 1 C3H0s 0.770 1.610 2.512 8.343 8.825 0.945 [OK] 4549 50 B LEU O 16 O1H0u 0.660 1.420 3.062 22.103 16.208 1.364 possible 4550 50 B LEU CB 8 C4H2s 0.770 1.880 3.584 23.092 22.951 1.006 possible 4551 50 B LEU CG 4 C4H1b 0.770 1.880 2.814 13.793 14.764 0.934 [OK] 4552 50 B LEU CD1 10 C4H3u 0.770 1.880 3.731 40.009 37.425 1.069 possible 4553 50 B LEU CD2 10 C4H3u 0.770 1.880 3.929 42.048 37.143 1.132 possible 4554 51 B THR N 12 N3H1s 0.700 1.640 3.341 18.994 13.832 1.373 possible 4555 51 B THR CA 3 C4H1s 0.770 1.880 2.701 11.967 13.099 0.914 [OK] 4556 51 B THR C 1 C3H0s 0.770 1.610 2.739 9.217 8.738 1.055 [OK] 4557 51 B THR O 16 O1H0u 0.660 1.420 3.350 23.041 16.020 1.438 possible 4558 51 B THR CB 4 C4H1b 0.770 1.880 3.101 16.178 14.829 1.091 possible 4559 51 B THR OG1 17 O2H1u 0.660 1.460 3.193 29.701 18.123 1.639 possible 4560 51 B THR CG2 10 C4H3u 0.770 1.880 3.499 42.187 36.542 1.154 possible 4561 52 B HIS N 12 N3H1s 0.700 1.640 2.950 13.519 13.715 0.986 [OK] 4562 52 B HIS CA 3 C4H1s 0.770 1.880 3.014 15.110 13.467 1.122 possible 4563 52 B HIS C 1 C3H0s 0.770 1.610 2.326 7.896 8.882 0.889 [OK] 4564 52 B HIS O 16 O1H0u 0.660 1.420 2.579 17.596 16.082 1.094 [OK] 4565 52 B HIS CB 8 C4H2s 0.770 1.880 2.874 22.151 23.653 0.937 [OK] 4566 52 B HIS CG 2 C3H0b 0.770 1.610 2.670 10.461 9.952 1.051 [OK] 4567 52 B HIS ND1 13 N3H1b 0.700 1.640 2.475 16.004 15.506 1.032 [OK] 4568 52 B HIS CD2 5 C3H1s 0.770 1.760 4.755 34.719 21.085 1.647 possible 4569 52 B HIS CE1 5 C3H1s 0.770 1.760 4.285 27.989 20.636 1.356 possible 4570 52 B HIS NE2 13 N3H1b 0.700 1.640 7.692 101.914 15.337 6.645 possible 4571 53 B THR N 12 N3H1s 0.700 1.640 2.987 14.631 13.832 1.058 [OK] 4572 53 B THR CA 3 C4H1s 0.770 1.880 2.748 12.759 13.099 0.974 [OK] 4573 53 B THR C 1 C3H0s 0.770 1.610 3.095 9.674 8.738 1.107 possible 4574 53 B THR O 16 O1H0u 0.660 1.420 3.463 30.539 16.020 1.906 possible 4575 53 B THR CB 4 C4H1b 0.770 1.880 3.731 17.357 14.829 1.170 possible 4576 53 B THR OG1 17 O2H1u 0.660 1.460 3.606 34.920 18.123 1.927 possible 4577 53 B THR CG2 10 C4H3u 0.770 1.880 3.196 43.365 36.542 1.187 possible 4578 54 B SER N 12 N3H1s 0.700 1.640 3.266 14.746 14.103 1.046 possible 4579 54 B SER CA 3 C4H1s 0.770 1.880 3.491 18.051 13.476 1.339 possible 4580 54 B SER C 1 C3H0s 0.770 1.610 3.491 9.844 8.923 1.103 possible 4581 54 B SER O 16 O1H0u 0.660 1.420 3.849 24.312 16.179 1.503 possible 4582 54 B SER CB 8 C4H2s 0.770 1.880 5.376 54.912 23.884 2.299 possible 4583 54 B SER OG 17 O2H1u 0.660 1.460 3.817 28.398 18.732 1.516 possible 4584 55 B THR N 12 N3H1s 0.700 1.640 4.001 21.458 13.832 1.551 possible 4585 55 B THR CA 3 C4H1s 0.770 1.880 4.348 20.175 13.099 1.540 possible 4586 55 B THR C 1 C3H0s 0.770 1.610 3.346 9.485 8.738 1.086 possible 4587 55 B THR O 16 O1H0u 0.660 1.420 5.301 57.500 16.020 3.589 possible 4588 55 B THR CB 4 C4H1b 0.770 1.880 6.475 33.119 14.829 2.233 possible 4589 55 B THR OG1 17 O2H1u 0.660 1.460 7.077 143.223 18.123 7.903 possible 4590 55 B THR CG2 10 C4H3u 0.770 1.880 5.525 82.733 36.542 2.264 possible 4591 56 B MET N 12 N3H1s 0.700 1.640 4.116 23.407 13.564 1.726 possible 4592 56 B MET CA 3 C4H1s 0.770 1.880 4.958 21.501 13.231 1.625 possible 4593 56 B MET C 1 C3H0s 0.770 1.610 4.481 12.457 8.782 1.418 possible 4594 56 B MET O 16 O1H0u 0.660 1.420 6.029 55.891 16.277 3.434 possible 4595 56 B MET CB 8 C4H2s 0.770 1.880 5.531 42.848 23.645 1.812 possible 4596 56 B MET CG 9 C4H2b 0.770 1.880 5.761 33.942 24.009 1.414 possible 4597 56 B MET SD 19 S2H0u 1.040 1.770 5.377 53.023 30.093 1.762 possible 4598 56 B MET CE 10 C4H3u 0.770 1.880 4.374 39.270 37.161 1.057 possible 4599 57 B ASP N 12 N3H1s 0.700 1.640 6.307 49.087 13.895 3.533 possible 4600 57 B ASP CA 3 C4H1s 0.770 1.880 4.770 16.651 13.377 1.245 possible 4601 57 B ASP C 1 C3H0s 0.770 1.610 2.567 9.252 8.816 1.050 [OK] 4602 57 B ASP O 16 O1H0u 0.660 1.420 2.921 16.375 16.091 1.018 [OK] 4603 57 B ASP CB 8 C4H2s 0.770 1.880 17.018 -1.000 23.481 -1.000 bad 4604 57 B ASP CG 2 C3H0b 0.770 1.610 4.961 14.465 9.422 1.535 possible 4605 57 B ASP OD1 16 O1H0u 0.660 1.420 20.037 -1.000 15.505 -1.000 bad 4606 57 B ASP OD2 16 O1H0u 0.660 1.420 47.674 -1.000 16.324 -1.000 bad 4607 58 B ALA N 12 N3H1s 0.700 1.640 4.668 20.643 14.046 1.470 possible 4608 58 B ALA CA 4 C4H1b 0.770 1.880 3.212 13.398 14.063 0.953 possible 4609 58 B ALA C 1 C3H0s 0.770 1.610 3.021 9.654 8.900 1.085 possible 4610 58 B ALA O 16 O1H0u 0.660 1.420 2.360 15.665 16.188 0.968 [OK] 4611 58 B ALA CB 10 C4H3u 0.770 1.880 6.855 89.889 36.782 2.444 possible 4612 59 B GLN N 12 N3H1s 0.700 1.640 3.121 18.022 13.616 1.324 possible 4613 59 B GLN CA 3 C4H1s 0.770 1.880 2.941 13.226 13.334 0.992 [OK] 4614 59 B GLN C 1 C3H0s 0.770 1.610 3.702 9.475 8.787 1.078 possible 4615 59 B GLN O 16 O1H0u 0.660 1.420 3.389 20.541 15.993 1.284 possible 4616 59 B GLN CB 8 C4H2s 0.770 1.880 25.561 -1.000 23.275 -1.000 bad 4617 59 B GLN CG 8 C4H2s 0.770 1.880 30.971 -1.000 23.465 -1.000 bad 4618 59 B GLN CD 2 C3H0b 0.770 1.610 5.202 16.770 9.659 1.736 possible 4619 59 B GLN OE1 16 O1H0u 0.660 1.420 6.372 99.061 17.091 5.796 possible 4620 59 B GLN NE2 15 N3H2u 0.700 1.640 6.285 110.460 24.150 4.574 possible 4621 60 B GLU N 12 N3H1s 0.700 1.640 6.047 25.090 13.615 1.843 possible 4622 60 B GLU CA 3 C4H1s 0.770 1.880 10.785 -1.000 13.399 -1.000 bad 4623 60 B GLU C 1 C3H0s 0.770 1.610 3.366 9.038 8.675 1.042 possible 4624 60 B GLU O 16 O1H0u 0.660 1.420 11.595 -1.000 16.023 -1.000 bad 4625 60 B GLU CB 8 C4H2s 0.770 1.880 31.873 -1.000 23.529 -1.000 bad 4626 60 B GLU CG 8 C4H2s 0.770 1.880 15.880 -1.000 23.513 -1.000 bad 4627 60 B GLU CD 2 C3H0b 0.770 1.610 2.591 8.780 9.460 0.928 [OK] 4628 60 B GLU OE1 16 O1H0u 0.660 1.420 2.583 14.386 15.999 0.899 [OK] 4629 60 B GLU OE2 16 O1H0u 0.660 1.420 5.919 85.767 17.432 4.920 possible 4630 61 B VAL N 12 N3H1s 0.700 1.640 2.769 13.015 13.676 0.952 [OK] 4631 61 B VAL CA 3 C4H1s 0.770 1.880 3.261 14.410 13.123 1.098 possible 4632 61 B VAL C 1 C3H0s 0.770 1.610 2.503 8.740 8.563 1.021 [OK] 4633 61 B VAL O 16 O1H0u 0.660 1.420 3.104 16.821 16.181 1.040 possible 4634 61 B VAL CB 4 C4H1b 0.770 1.880 4.319 19.507 14.598 1.336 possible 4635 61 B VAL CG1 10 C4H3u 0.770 1.880 6.096 138.823 36.584 3.795 possible 4636 61 B VAL CG2 10 C4H3u 0.770 1.880 4.843 44.535 36.332 1.226 possible 4637 62 B GLU N 12 N3H1s 0.700 1.640 2.400 13.018 13.615 0.956 [OK] 4638 62 B GLU CA 3 C4H1s 0.770 1.880 2.441 11.439 13.399 0.854 [OK] 4639 62 B GLU C 1 C3H0s 0.770 1.610 4.269 9.321 8.675 1.075 possible 4640 62 B GLU O 16 O1H0u 0.660 1.420 4.332 18.860 16.023 1.177 possible 4641 62 B GLU CB 8 C4H2s 0.770 1.880 5.080 34.504 23.529 1.466 possible 4642 62 B GLU CG 8 C4H2s 0.770 1.880 2.945 21.548 23.513 0.916 [OK] 4643 62 B GLU CD 2 C3H0b 0.770 1.610 3.223 11.626 9.460 1.229 possible 4644 62 B GLU OE1 16 O1H0u 0.660 1.420 4.690 43.370 15.999 2.711 possible 4645 62 B GLU OE2 16 O1H0u 0.660 1.420 3.077 26.584 17.432 1.525 possible 4646 63 B THR N 12 N3H1s 0.700 1.640 4.646 16.154 13.832 1.168 possible 4647 63 B THR CA 3 C4H1s 0.770 1.880 5.907 26.359 13.099 2.012 possible 4648 63 B THR C 1 C3H0s 0.770 1.610 2.559 7.891 8.738 0.903 [OK] 4649 63 B THR O 16 O1H0u 0.660 1.420 3.076 15.823 16.020 0.988 possible 4650 63 B THR CB 4 C4H1b 0.770 1.880 13.710 -1.000 14.829 -1.000 bad 4651 63 B THR OG1 17 O2H1u 0.660 1.460 21.003 -1.000 18.123 -1.000 bad 4652 63 B THR CG2 10 C4H3u 0.770 1.880 41.177 -1.000 36.542 -1.000 bad 4653 64 B ILE N 12 N3H1s 0.700 1.640 2.696 13.580 13.633 0.996 [OK] 4654 64 B ILE CA 3 C4H1s 0.770 1.880 4.732 21.409 13.007 1.646 possible 4655 64 B ILE C 1 C3H0s 0.770 1.610 2.624 7.513 8.470 0.887 [OK] 4656 64 B ILE O 16 O1H0u 0.660 1.420 3.250 18.214 16.144 1.128 possible 4657 64 B ILE CB 4 C4H1b 0.770 1.880 3.724 15.187 14.227 1.067 possible 4658 64 B ILE CG1 9 C4H2b 0.770 1.880 17.194 -1.000 24.187 -1.000 bad 4659 64 B ILE CG2 10 C4H3u 0.770 1.880 6.825 100.765 35.961 2.802 possible 4660 64 B ILE CD1 10 C4H3u 0.770 1.880 51.593 -1.000 38.377 -1.000 bad 4661 65 B TRP N 12 N3H1s 0.700 1.640 3.031 14.560 13.791 1.056 possible 4662 65 B TRP CA 3 C4H1s 0.770 1.880 3.838 16.204 13.377 1.211 possible 4663 65 B TRP C 1 C3H0s 0.770 1.610 2.389 9.008 8.724 1.033 [OK] 4664 65 B TRP O 16 O1H0u 0.660 1.420 2.752 22.623 15.951 1.418 [OK] 4665 65 B TRP CB 8 C4H2s 0.770 1.880 4.882 34.981 24.004 1.457 possible 4666 65 B TRP CG 2 C3H0b 0.770 1.610 2.658 10.287 9.965 1.032 [OK] 4667 65 B TRP CD1 5 C3H1s 0.770 1.760 3.002 20.456 20.874 0.980 possible 4668 65 B TRP CD2 2 C3H0b 0.770 1.610 2.466 9.705 10.097 0.961 [OK] 4669 65 B TRP NE1 13 N3H1b 0.700 1.640 2.856 18.964 16.969 1.118 [OK] 4670 65 B TRP CE2 2 C3H0b 0.770 1.610 2.577 10.353 9.889 1.047 [OK] 4671 65 B TRP CE3 6 C3H1b 0.770 1.760 6.547 51.048 20.448 2.496 possible 4672 65 B TRP CZ2 6 C3H1b 0.770 1.760 2.641 20.844 21.012 0.992 [OK] 4673 65 B TRP CZ3 6 C3H1b 0.770 1.760 4.588 55.180 21.516 2.565 possible 4674 65 B TRP CH2 6 C3H1b 0.770 1.760 3.779 20.963 21.339 0.982 possible 4675 66 B THR N 12 N3H1s 0.700 1.640 2.219 12.172 13.832 0.880 [OK] 4676 66 B THR CA 3 C4H1s 0.770 1.880 3.027 14.428 13.099 1.101 possible 4677 66 B THR C 1 C3H0s 0.770 1.610 2.488 7.883 8.738 0.902 [OK] 4678 66 B THR O 16 O1H0u 0.660 1.420 2.842 18.551 16.020 1.158 [OK] 4679 66 B THR CB 4 C4H1b 0.770 1.880 4.293 17.186 14.829 1.159 possible 4680 66 B THR OG1 17 O2H1u 0.660 1.460 5.589 41.744 18.123 2.303 possible 4681 66 B THR CG2 10 C4H3u 0.770 1.880 6.443 100.981 36.542 2.763 possible 4682 67 B ILE N 12 N3H1s 0.700 1.640 2.388 12.290 13.633 0.901 [OK] 4683 67 B ILE CA 3 C4H1s 0.770 1.880 3.004 13.027 13.007 1.002 possible 4684 67 B ILE C 1 C3H0s 0.770 1.610 2.833 8.504 8.470 1.004 [OK] 4685 67 B ILE O 16 O1H0u 0.660 1.420 3.108 16.898 16.144 1.047 possible 4686 67 B ILE CB 4 C4H1b 0.770 1.880 4.582 21.230 14.227 1.492 possible 4687 67 B ILE CG1 9 C4H2b 0.770 1.880 12.846 -1.000 24.187 -1.000 bad 4688 67 B ILE CG2 10 C4H3u 0.770 1.880 35.682 -1.000 35.961 -1.000 bad 4689 67 B ILE CD1 10 C4H3u 0.770 1.880 47.959 -1.000 38.377 -1.000 bad 4690 68 B LEU N 12 N3H1s 0.700 1.640 3.439 15.199 13.655 1.113 possible 4691 68 B LEU CA 3 C4H1s 0.770 1.880 3.113 13.225 13.122 1.008 possible 4692 68 B LEU C 1 C3H0s 0.770 1.610 2.770 8.591 8.825 0.973 [OK] 4693 68 B LEU O 16 O1H0u 0.660 1.420 2.887 15.833 16.208 0.977 [OK] 4694 68 B LEU CB 8 C4H2s 0.770 1.880 3.918 26.149 22.951 1.139 possible 4695 68 B LEU CG 4 C4H1b 0.770 1.880 4.583 19.639 14.764 1.330 possible 4696 68 B LEU CD1 10 C4H3u 0.770 1.880 42.837 -1.000 37.425 -1.000 bad 4697 68 B LEU CD2 10 C4H3u 0.770 1.880 5.886 92.234 37.143 2.483 possible 4698 69 B PRO N 11 N3H0u 0.700 1.640 3.243 9.068 8.823 1.028 possible 4699 69 B PRO CA 4 C4H1b 0.770 1.880 3.227 14.631 13.955 1.048 possible 4700 69 B PRO C 1 C3H0s 0.770 1.610 2.516 8.303 8.812 0.942 [OK] 4701 69 B PRO O 16 O1H0u 0.660 1.420 2.579 15.389 16.169 0.952 [OK] 4702 69 B PRO CB 9 C4H2b 0.770 1.880 3.177 29.966 25.563 1.172 possible 4703 69 B PRO CG 9 C4H2b 0.770 1.880 4.102 39.711 25.832 1.537 possible 4704 69 B PRO CD 8 C4H2s 0.770 1.880 3.832 24.527 23.836 1.029 possible 4705 70 B ALA N 12 N3H1s 0.700 1.640 2.434 13.704 14.046 0.976 [OK] 4706 70 B ALA CA 4 C4H1b 0.770 1.880 3.697 15.639 14.063 1.112 possible 4707 70 B ALA C 1 C3H0s 0.770 1.610 3.276 8.980 8.900 1.009 possible 4708 70 B ALA O 16 O1H0u 0.660 1.420 3.554 21.963 16.188 1.357 possible 4709 70 B ALA CB 10 C4H3u 0.770 1.880 4.912 80.742 36.782 2.195 possible 4710 71 B ILE N 12 N3H1s 0.700 1.640 3.136 13.195 13.633 0.968 possible 4711 71 B ILE CA 3 C4H1s 0.770 1.880 3.665 15.464 13.007 1.189 possible 4712 71 B ILE C 1 C3H0s 0.770 1.610 2.487 7.670 8.470 0.906 [OK] 4713 71 B ILE O 16 O1H0u 0.660 1.420 3.188 16.404 16.144 1.016 possible 4714 71 B ILE CB 4 C4H1b 0.770 1.880 3.239 15.462 14.227 1.087 possible 4715 71 B ILE CG1 9 C4H2b 0.770 1.880 7.673 68.978 24.187 2.852 possible 4716 71 B ILE CG2 10 C4H3u 0.770 1.880 28.593 -1.000 35.961 -1.000 bad 4717 71 B ILE CD1 10 C4H3u 0.770 1.880 46.550 -1.000 38.377 -1.000 bad 4718 72 B ILE N 12 N3H1s 0.700 1.640 2.695 13.094 13.633 0.960 [OK] 4719 72 B ILE CA 3 C4H1s 0.770 1.880 2.973 13.751 13.007 1.057 [OK] 4720 72 B ILE C 1 C3H0s 0.770 1.610 2.562 7.893 8.470 0.932 [OK] 4721 72 B ILE O 16 O1H0u 0.660 1.420 2.557 15.323 16.144 0.949 [OK] 4722 72 B ILE CB 4 C4H1b 0.770 1.880 2.596 13.465 14.227 0.946 [OK] 4723 72 B ILE CG1 9 C4H2b 0.770 1.880 5.982 46.968 24.187 1.942 possible 4724 72 B ILE CG2 10 C4H3u 0.770 1.880 3.121 35.692 35.961 0.993 possible 4725 72 B ILE CD1 10 C4H3u 0.770 1.880 5.514 63.455 38.377 1.653 possible 4726 73 B LEU N 12 N3H1s 0.700 1.640 2.587 13.306 13.655 0.974 [OK] 4727 73 B LEU CA 3 C4H1s 0.770 1.880 2.971 13.489 13.122 1.028 [OK] 4728 73 B LEU C 1 C3H0s 0.770 1.610 3.562 8.747 8.825 0.991 possible 4729 73 B LEU O 16 O1H0u 0.660 1.420 3.582 17.235 16.208 1.063 possible 4730 73 B LEU CB 8 C4H2s 0.770 1.880 4.396 34.619 22.951 1.508 possible 4731 73 B LEU CG 4 C4H1b 0.770 1.880 2.973 13.928 14.764 0.943 [OK] 4732 73 B LEU CD1 10 C4H3u 0.770 1.880 3.864 40.680 37.425 1.087 possible 4733 73 B LEU CD2 10 C4H3u 0.770 1.880 2.958 40.364 37.143 1.087 [OK] 4734 74 B ILE N 12 N3H1s 0.700 1.640 3.304 13.495 13.633 0.990 possible 4735 74 B ILE CA 3 C4H1s 0.770 1.880 3.610 15.717 13.007 1.208 possible 4736 74 B ILE C 1 C3H0s 0.770 1.610 2.697 8.391 8.470 0.991 [OK] 4737 74 B ILE O 16 O1H0u 0.660 1.420 2.894 17.190 16.144 1.065 [OK] 4738 74 B ILE CB 4 C4H1b 0.770 1.880 3.834 16.669 14.227 1.172 possible 4739 74 B ILE CG1 9 C4H2b 0.770 1.880 4.798 46.727 24.187 1.932 possible 4740 74 B ILE CG2 10 C4H3u 0.770 1.880 21.272 -1.000 35.961 -1.000 bad 4741 74 B ILE CD1 10 C4H3u 0.770 1.880 7.872 96.710 38.377 2.520 possible 4742 75 B LEU N 12 N3H1s 0.700 1.640 2.673 12.951 13.655 0.948 [OK] 4743 75 B LEU CA 3 C4H1s 0.770 1.880 3.711 15.055 13.122 1.147 possible 4744 75 B LEU C 1 C3H0s 0.770 1.610 2.563 9.050 8.825 1.025 [OK] 4745 75 B LEU O 16 O1H0u 0.660 1.420 4.041 21.641 16.208 1.335 possible 4746 75 B LEU CB 8 C4H2s 0.770 1.880 3.443 26.224 22.951 1.143 possible 4747 75 B LEU CG 4 C4H1b 0.770 1.880 2.804 14.489 14.764 0.981 [OK] 4748 75 B LEU CD1 10 C4H3u 0.770 1.880 40.572 -1.000 37.425 -1.000 bad 4749 75 B LEU CD2 10 C4H3u 0.770 1.880 45.276 -1.000 37.143 -1.000 bad 4750 76 B ILE N 12 N3H1s 0.700 1.640 2.519 12.810 13.633 0.940 [OK] 4751 76 B ILE CA 3 C4H1s 0.770 1.880 3.032 14.534 13.007 1.117 possible 4752 76 B ILE C 1 C3H0s 0.770 1.610 2.561 7.909 8.470 0.934 [OK] 4753 76 B ILE O 16 O1H0u 0.660 1.420 2.481 15.052 16.144 0.932 [OK] 4754 76 B ILE CB 4 C4H1b 0.770 1.880 2.958 14.157 14.227 0.995 [OK] 4755 76 B ILE CG1 9 C4H2b 0.770 1.880 3.016 26.379 24.187 1.091 possible 4756 76 B ILE CG2 10 C4H3u 0.770 1.880 3.114 38.192 35.961 1.062 possible 4757 76 B ILE CD1 10 C4H3u 0.770 1.880 3.646 47.030 38.377 1.225 possible 4758 77 B ALA N 12 N3H1s 0.700 1.640 2.593 13.274 14.046 0.945 [OK] 4759 77 B ALA CA 4 C4H1b 0.770 1.880 3.440 15.631 14.063 1.112 possible 4760 77 B ALA C 1 C3H0s 0.770 1.610 3.176 9.155 8.900 1.029 possible 4761 77 B ALA O 16 O1H0u 0.660 1.420 2.899 15.630 16.188 0.966 [OK] 4762 77 B ALA CB 10 C4H3u 0.770 1.880 4.873 66.784 36.782 1.816 possible 4763 78 B LEU N 12 N3H1s 0.700 1.640 3.190 14.817 13.655 1.085 possible 4764 78 B LEU CA 3 C4H1s 0.770 1.880 3.355 14.981 13.122 1.142 possible 4765 78 B LEU C 1 C3H0s 0.770 1.610 3.733 9.381 8.825 1.063 possible 4766 78 B LEU O 16 O1H0u 0.660 1.420 4.516 26.985 16.208 1.665 possible 4767 78 B LEU CB 8 C4H2s 0.770 1.880 6.129 46.125 22.951 2.010 possible 4768 78 B LEU CG 4 C4H1b 0.770 1.880 3.308 13.976 14.764 0.947 possible 4769 78 B LEU CD1 10 C4H3u 0.770 1.880 46.108 -1.000 37.425 -1.000 bad 4770 78 B LEU CD2 10 C4H3u 0.770 1.880 40.342 -1.000 37.143 -1.000 bad 4771 79 B PRO N 11 N3H0u 0.700 1.640 4.361 10.168 8.823 1.152 possible 4772 79 B PRO CA 4 C4H1b 0.770 1.880 4.486 20.905 13.955 1.498 possible 4773 79 B PRO C 1 C3H0s 0.770 1.610 2.565 8.492 8.812 0.964 [OK] 4774 79 B PRO O 16 O1H0u 0.660 1.420 2.507 15.335 16.169 0.948 [OK] 4775 79 B PRO CB 9 C4H2b 0.770 1.880 6.257 43.647 25.563 1.707 possible 4776 79 B PRO CG 9 C4H2b 0.770 1.880 21.722 -1.000 25.832 -1.000 bad 4777 79 B PRO CD 8 C4H2s 0.770 1.880 4.078 22.835 23.836 0.958 possible 4778 80 B SER N 12 N3H1s 0.700 1.640 2.515 12.602 14.103 0.894 [OK] 4779 80 B SER CA 3 C4H1s 0.770 1.880 3.059 15.473 13.476 1.148 possible 4780 80 B SER C 1 C3H0s 0.770 1.610 2.511 7.935 8.923 0.889 [OK] 4781 80 B SER O 16 O1H0u 0.660 1.420 2.850 16.858 16.179 1.042 [OK] 4782 80 B SER CB 8 C4H2s 0.770 1.880 3.378 22.200 23.884 0.929 possible 4783 80 B SER OG 17 O2H1u 0.660 1.460 2.908 25.778 18.732 1.376 [OK] 4784 81 B LEU N 12 N3H1s 0.700 1.640 2.424 11.900 13.655 0.871 [OK] 4785 81 B LEU CA 3 C4H1s 0.770 1.880 2.759 11.788 13.122 0.898 [OK] 4786 81 B LEU C 1 C3H0s 0.770 1.610 4.092 9.259 8.825 1.049 possible 4787 81 B LEU O 16 O1H0u 0.660 1.420 3.637 15.449 16.208 0.953 possible 4788 81 B LEU CB 8 C4H2s 0.770 1.880 6.720 47.682 22.951 2.078 possible 4789 81 B LEU CG 4 C4H1b 0.770 1.880 3.443 15.735 14.764 1.066 possible 4790 81 B LEU CD1 10 C4H3u 0.770 1.880 5.491 99.034 37.425 2.646 possible 4791 81 B LEU CD2 10 C4H3u 0.770 1.880 3.435 40.860 37.143 1.100 possible 4792 82 B ARG N 12 N3H1s 0.700 1.640 5.259 17.440 13.650 1.278 possible 4793 82 B ARG CA 3 C4H1s 0.770 1.880 9.483 -1.000 13.422 -1.000 bad 4794 82 B ARG C 1 C3H0s 0.770 1.610 2.425 7.653 8.838 0.866 [OK] 4795 82 B ARG O 16 O1H0u 0.660 1.420 4.835 21.397 16.084 1.330 possible 4796 82 B ARG CB 8 C4H2s 0.770 1.880 8.979 -1.000 23.088 -1.000 bad 4797 82 B ARG CG 8 C4H2s 0.770 1.880 14.798 -1.000 23.640 -1.000 bad 4798 82 B ARG CD 8 C4H2s 0.770 1.880 33.693 -1.000 23.300 -1.000 bad 4799 82 B ARG NE 13 N3H1b 0.700 1.640 13.053 -1.000 15.569 -1.000 bad 4800 82 B ARG CZ 2 C3H0b 0.770 1.610 1.893 -1.000 9.747 -1.000 bad 4801 82 B ARG NH1 15 N3H2u 0.700 1.640 6.606 54.113 22.782 2.375 possible 4802 82 B ARG NH2 15 N3H2u 0.700 1.640 25.613 -1.000 23.810 -1.000 bad 4803 83 B ILE N 12 N3H1s 0.700 1.640 2.648 12.916 13.633 0.947 [OK] 4804 83 B ILE CA 3 C4H1s 0.770 1.880 2.794 13.625 13.007 1.048 [OK] 4805 83 B ILE C 1 C3H0s 0.770 1.610 2.292 7.512 8.470 0.887 [OK] 4806 83 B ILE O 16 O1H0u 0.660 1.420 2.756 14.467 16.144 0.896 [OK] 4807 83 B ILE CB 4 C4H1b 0.770 1.880 2.965 14.193 14.227 0.998 [OK] 4808 83 B ILE CG1 9 C4H2b 0.770 1.880 3.002 23.686 24.187 0.979 possible 4809 83 B ILE CG2 10 C4H3u 0.770 1.880 3.263 37.925 35.961 1.055 possible 4810 83 B ILE CD1 10 C4H3u 0.770 1.880 4.012 43.577 38.377 1.135 possible 4811 84 B LEU N 12 N3H1s 0.700 1.640 2.357 12.301 13.655 0.901 [OK] 4812 84 B LEU CA 3 C4H1s 0.770 1.880 2.914 14.266 13.122 1.087 [OK] 4813 84 B LEU C 1 C3H0s 0.770 1.610 2.249 7.697 8.825 0.872 [OK] 4814 84 B LEU O 16 O1H0u 0.660 1.420 2.708 20.002 16.208 1.234 [OK] 4815 84 B LEU CB 8 C4H2s 0.770 1.880 3.418 22.131 22.951 0.964 possible 4816 84 B LEU CG 4 C4H1b 0.770 1.880 2.609 12.933 14.764 0.876 [OK] 4817 84 B LEU CD1 10 C4H3u 0.770 1.880 3.365 36.898 37.425 0.986 possible 4818 84 B LEU CD2 10 C4H3u 0.770 1.880 3.166 34.595 37.143 0.931 possible 4819 85 B TYR N 12 N3H1s 0.700 1.640 2.388 11.995 13.691 0.876 [OK] 4820 85 B TYR CA 3 C4H1s 0.770 1.880 3.146 14.097 13.330 1.058 possible 4821 85 B TYR C 1 C3H0s 0.770 1.610 4.077 9.485 8.770 1.081 possible 4822 85 B TYR O 16 O1H0u 0.660 1.420 4.783 37.213 16.124 2.308 possible 4823 85 B TYR CB 8 C4H2s 0.770 1.880 19.933 -1.000 23.678 -1.000 bad 4824 85 B TYR CG 2 C3H0b 0.770 1.610 0.691 -1.000 9.732 -1.000 bad 4825 85 B TYR CD1 5 C3H1s 0.770 1.760 6.049 -1.000 20.171 -1.000 bad 4826 85 B TYR CD2 5 C3H1s 0.770 1.760 20.291 -1.000 20.728 -1.000 bad 4827 85 B TYR CE1 5 C3H1s 0.770 1.760 6.734 40.848 20.675 1.976 possible 4828 85 B TYR CE2 5 C3H1s 0.770 1.760 15.480 -1.000 20.810 -1.000 bad 4829 85 B TYR CZ 2 C3H0b 0.770 1.610 6.040 17.700 9.926 1.783 possible 4830 85 B TYR OH 17 O2H1u 0.660 1.460 4.552 40.797 19.173 2.128 possible 4831 86 B MET N 12 N3H1s 0.700 1.640 4.673 14.423 13.564 1.063 possible 4832 86 B MET CA 3 C4H1s 0.770 1.880 4.944 19.801 13.231 1.497 possible 4833 86 B MET C 1 C3H0s 0.770 1.610 2.736 8.953 8.782 1.019 [OK] 4834 86 B MET O 16 O1H0u 0.660 1.420 4.641 31.915 16.277 1.961 possible 4835 86 B MET CB 8 C4H2s 0.770 1.880 5.015 24.781 23.645 1.048 possible 4836 86 B MET CG 9 C4H2b 0.770 1.880 5.348 53.405 24.009 2.224 possible 4837 86 B MET SD 19 S2H0u 1.040 1.770 7.528 72.913 30.093 2.423 possible 4838 86 B MET CE 10 C4H3u 0.770 1.880 30.675 -1.000 37.161 -1.000 bad 4839 87 B MET N 12 N3H1s 0.700 1.640 2.773 13.048 13.564 0.962 [OK] 4840 87 B MET CA 3 C4H1s 0.770 1.880 3.618 16.602 13.231 1.255 possible 4841 87 B MET C 1 C3H0s 0.770 1.610 2.995 10.285 8.782 1.171 [OK] 4842 87 B MET O 16 O1H0u 0.660 1.420 3.552 44.750 16.277 2.749 possible 4843 87 B MET CB 8 C4H2s 0.770 1.880 3.811 29.270 23.645 1.238 possible 4844 87 B MET CG 9 C4H2b 0.770 1.880 3.165 26.471 24.009 1.103 possible 4845 87 B MET SD 19 S2H0u 1.040 1.770 3.323 39.027 30.093 1.297 possible 4846 87 B MET CE 10 C4H3u 0.770 1.880 4.108 62.602 37.161 1.685 possible 4847 88 B ASP N 12 N3H1s 0.700 1.640 2.832 14.933 13.895 1.075 [OK] 4848 88 B ASP N 12 N3H1s 0.700 1.640 0.000 0.000 73.540 -1.000 bad 4849 88 B ASP CA 3 C4H1s 0.770 1.880 4.115 14.421 13.377 1.078 possible 4850 88 B ASP CA 3 C4H1s 0.770 1.880 0.000 0.000 82.650 -1.000 bad 4851 88 B ASP C 1 C3H0s 0.770 1.610 4.414 11.019 8.816 1.250 possible 4852 88 B ASP C 1 C3H0s 0.770 1.610 0.000 0.000 86.270 -1.000 bad 4853 88 B ASP O 16 O1H0u 0.660 1.420 5.327 39.796 16.091 2.473 possible 4854 88 B ASP O 16 O1H0u 0.660 1.420 0.000 0.000 87.610 -1.000 bad 4855 88 B ASP CB 8 C4H2s 0.770 1.880 5.554 38.781 23.481 1.652 possible 4856 88 B ASP CB 8 C4H2s 0.770 1.880 0.000 0.000 85.710 -1.000 bad 4857 88 B ASP CG 2 C3H0b 0.770 1.610 3.712 10.272 9.422 1.090 possible 4858 88 B ASP CG 2 C3H0b 0.770 1.610 0.000 0.000 89.640 -1.000 bad 4859 88 B ASP OD1 16 O1H0u 0.660 1.420 3.558 28.740 15.505 1.854 possible 4860 88 B ASP OD1 16 O1H0u 0.660 1.420 0.000 0.000 92.650 -1.000 bad 4861 88 B ASP OD2 16 O1H0u 0.660 1.420 4.028 36.000 16.324 2.205 possible 4862 88 B ASP OD2 16 O1H0u 0.660 1.420 0.000 0.000 93.240 -1.000 bad 4863 89 B GLU N 12 N3H1s 0.700 1.640 5.031 19.185 13.615 1.409 possible 4864 89 B GLU N 12 N3H1s 0.700 1.640 0.000 0.000 89.950 -1.000 bad 4865 89 B GLU CA 3 C4H1s 0.770 1.880 6.058 22.924 13.399 1.711 possible 4866 89 B GLU CA 3 C4H1s 0.770 1.880 0.000 0.000 92.710 -1.000 bad 4867 89 B GLU C 1 C3H0s 0.770 1.610 2.830 9.108 8.675 1.050 [OK] 4868 89 B GLU C 1 C3H0s 0.770 1.610 0.000 0.000 94.730 -1.000 bad 4869 89 B GLU O 16 O1H0u 0.660 1.420 5.176 43.321 16.023 2.704 possible 4870 89 B GLU O 16 O1H0u 0.660 1.420 0.000 0.000 95.240 -1.000 bad 4871 89 B GLU CB 8 C4H2s 0.770 1.880 7.715 54.925 23.529 2.334 possible 4872 89 B GLU CB 8 C4H2s 0.770 1.880 0.000 0.000 93.070 -1.000 bad 4873 89 B GLU CG 8 C4H2s 0.770 1.880 3.776 24.802 23.513 1.055 possible 4874 89 B GLU CG 8 C4H2s 0.770 1.880 0.000 0.000 95.440 -1.000 bad 4875 89 B GLU CD 2 C3H0b 0.770 1.610 3.509 11.482 9.460 1.214 possible 4876 89 B GLU CD 2 C3H0b 0.770 1.610 0.000 0.000 97.780 -1.000 bad 4877 89 B GLU OE1 16 O1H0u 0.660 1.420 38.094 -1.000 15.999 -1.000 bad 4878 89 B GLU OE1 16 O1H0u 0.660 1.420 0.000 0.000 99.030 -1.000 bad 4879 89 B GLU OE2 16 O1H0u 0.660 1.420 41.220 -1.000 17.432 -1.000 bad 4880 89 B GLU OE2 16 O1H0u 0.660 1.420 0.000 0.000 96.870 -1.000 bad 4881 90 B ILE N 12 N3H1s 0.700 1.640 3.355 15.996 13.633 1.173 possible 4882 90 B ILE N 12 N3H1s 0.700 1.640 0.000 0.000 96.930 -1.000 bad 4883 90 B ILE CA 3 C4H1s 0.770 1.880 3.428 16.670 13.007 1.282 possible 4884 90 B ILE CA 3 C4H1s 0.770 1.880 0.000 0.000 97.840 -1.000 bad 4885 90 B ILE C 1 C3H0s 0.770 1.610 2.285 7.770 8.470 0.917 [OK] 4886 90 B ILE C 1 C3H0s 0.770 1.610 0.000 0.000 97.810 -1.000 bad 4887 90 B ILE O 16 O1H0u 0.660 1.420 4.852 32.806 16.144 2.032 possible 4888 90 B ILE O 16 O1H0u 0.660 1.420 0.000 0.000 97.460 -1.000 bad 4889 90 B ILE CB 4 C4H1b 0.770 1.880 4.141 19.127 14.227 1.344 possible 4890 90 B ILE CB 4 C4H1b 0.770 1.880 0.000 0.000 99.030 -1.000 bad 4891 90 B ILE CG1 9 C4H2b 0.770 1.880 3.306 27.155 24.187 1.123 possible 4892 90 B ILE CG1 9 C4H2b 0.770 1.880 0.000 0.000 99.030 -1.000 bad 4893 90 B ILE CG2 10 C4H3u 0.770 1.880 3.728 40.462 35.961 1.125 possible 4894 90 B ILE CG2 10 C4H3u 0.770 1.880 0.000 0.000 98.130 -1.000 bad 4895 90 B ILE CD1 10 C4H3u 0.770 1.880 3.592 35.054 38.377 0.913 possible 4896 90 B ILE CD1 10 C4H3u 0.770 1.880 0.000 0.000 99.030 -1.000 bad 4897 91 B ASN N 12 N3H1s 0.700 1.640 2.638 14.454 13.695 1.055 [OK] 4898 91 B ASN N 12 N3H1s 0.700 1.640 0.000 0.000 96.220 -1.000 bad 4899 91 B ASN CA 3 C4H1s 0.770 1.880 3.700 14.518 13.167 1.103 possible 4900 91 B ASN CA 3 C4H1s 0.770 1.880 0.000 0.000 92.050 -1.000 bad 4901 91 B ASN C 1 C3H0s 0.770 1.610 2.483 9.366 8.928 1.049 [OK] 4902 91 B ASN C 1 C3H0s 0.770 1.610 0.000 0.000 87.910 -1.000 bad 4903 91 B ASN O 16 O1H0u 0.660 1.420 5.922 38.392 16.199 2.370 possible 4904 91 B ASN O 16 O1H0u 0.660 1.420 0.000 0.000 88.050 -1.000 bad 4905 91 B ASN CB 8 C4H2s 0.770 1.880 7.790 72.807 23.128 3.148 possible 4906 91 B ASN CB 8 C4H2s 0.770 1.880 0.000 0.000 94.470 -1.000 bad 4907 91 B ASN CG 2 C3H0b 0.770 1.610 2.208 -1.000 9.599 -1.000 bad 4908 91 B ASN CG 2 C3H0b 0.770 1.610 0.000 0.000 96.270 -1.000 bad 4909 91 B ASN OD1 16 O1H0u 0.660 1.420 13.443 -1.000 16.664 -1.000 bad 4910 91 B ASN OD1 16 O1H0u 0.660 1.420 0.000 0.000 95.880 -1.000 bad 4911 91 B ASN ND2 15 N3H2u 0.700 1.640 23.851 -1.000 23.083 -1.000 bad 4912 91 B ASN ND2 15 N3H2u 0.700 1.640 0.000 0.000 93.920 -1.000 bad 4913 92 B ASN N 12 N3H1s 0.700 1.640 3.468 19.389 13.695 1.416 possible 4914 92 B ASN N 12 N3H1s 0.700 1.640 0.000 0.000 82.210 -1.000 bad 4915 92 B ASN CA 3 C4H1s 0.770 1.880 3.613 16.067 13.167 1.220 possible 4916 92 B ASN CA 3 C4H1s 0.770 1.880 0.000 0.000 75.080 -1.000 bad 4917 92 B ASN C 1 C3H0s 0.770 1.610 2.983 9.935 8.928 1.113 [OK] 4918 92 B ASN C 1 C3H0s 0.770 1.610 0.000 0.000 64.630 -1.000 bad 4919 92 B ASN O 16 O1H0u 0.660 1.420 6.306 50.680 16.199 3.129 possible 4920 92 B ASN O 16 O1H0u 0.660 1.420 0.000 0.000 63.750 -1.000 bad 4921 92 B ASN CB 8 C4H2s 0.770 1.880 32.601 -1.000 23.128 -1.000 bad 4922 92 B ASN CB 8 C4H2s 0.770 1.880 0.000 0.000 82.480 -1.000 bad 4923 92 B ASN CG 2 C3H0b 0.770 1.610 1.786 -1.000 9.599 -1.000 bad 4924 92 B ASN CG 2 C3H0b 0.770 1.610 0.000 0.000 90.700 -1.000 bad 4925 92 B ASN OD1 16 O1H0u 0.660 1.420 35.551 -1.000 16.664 -1.000 bad 4926 92 B ASN OD1 16 O1H0u 0.660 1.420 0.000 0.000 95.010 -1.000 bad 4927 92 B ASN ND2 15 N3H2u 0.700 1.640 35.870 -1.000 23.083 -1.000 bad 4928 92 B ASN ND2 15 N3H2u 0.700 1.640 0.000 0.000 92.320 -1.000 bad 4929 93 B PRO N 11 N3H0u 0.700 1.640 2.725 10.207 8.823 1.157 [OK] 4930 93 B PRO CA 4 C4H1b 0.770 1.880 2.920 13.390 13.955 0.959 [OK] 4931 93 B PRO C 1 C3H0s 0.770 1.610 3.145 9.819 8.812 1.114 possible 4932 93 B PRO O 16 O1H0u 0.660 1.420 4.267 34.505 16.169 2.134 possible 4933 93 B PRO CB 9 C4H2b 0.770 1.880 3.371 28.331 25.563 1.108 possible 4934 93 B PRO CG 9 C4H2b 0.770 1.880 3.101 24.824 25.832 0.961 possible 4935 93 B PRO CD 8 C4H2s 0.770 1.880 3.244 25.388 23.836 1.065 possible 4936 94 B SER N 12 N3H1s 0.700 1.640 3.315 15.848 14.103 1.124 possible 4937 94 B SER CA 3 C4H1s 0.770 1.880 3.891 16.713 13.476 1.240 possible 4938 94 B SER C 1 C3H0s 0.770 1.610 2.424 9.207 8.923 1.032 [OK] 4939 94 B SER O 16 O1H0u 0.660 1.420 3.023 23.078 16.179 1.426 possible 4940 94 B SER CB 8 C4H2s 0.770 1.880 19.542 -1.000 23.884 -1.000 bad 4941 94 B SER OG 17 O2H1u 0.660 1.460 6.181 32.078 18.732 1.712 possible 4942 95 B LEU N 12 N3H1s 0.700 1.640 2.806 15.163 13.655 1.110 [OK] 4943 95 B LEU CA 3 C4H1s 0.770 1.880 2.807 13.083 13.122 0.997 [OK] 4944 95 B LEU C 1 C3H0s 0.770 1.610 2.476 9.123 8.825 1.034 [OK] 4945 95 B LEU O 16 O1H0u 0.660 1.420 2.429 16.761 16.208 1.034 [OK] 4946 95 B LEU CB 8 C4H2s 0.770 1.880 3.389 26.199 22.951 1.141 possible 4947 95 B LEU CG 4 C4H1b 0.770 1.880 2.898 13.744 14.764 0.931 [OK] 4948 95 B LEU CD1 10 C4H3u 0.770 1.880 3.628 47.664 37.425 1.274 possible 4949 95 B LEU CD2 10 C4H3u 0.770 1.880 3.308 36.077 37.143 0.971 possible 4950 96 B THR N 12 N3H1s 0.700 1.640 2.492 13.317 13.832 0.963 [OK] 4951 96 B THR CA 3 C4H1s 0.770 1.880 2.622 12.315 13.099 0.940 [OK] 4952 96 B THR C 1 C3H0s 0.770 1.610 2.655 8.186 8.738 0.937 [OK] 4953 96 B THR O 16 O1H0u 0.660 1.420 2.845 25.595 16.020 1.598 [OK] 4954 96 B THR CB 4 C4H1b 0.770 1.880 3.180 15.781 14.829 1.064 possible 4955 96 B THR OG1 17 O2H1u 0.660 1.460 2.528 18.183 18.123 1.003 [OK] 4956 96 B THR CG2 10 C4H3u 0.770 1.880 3.107 39.510 36.542 1.081 possible 4957 97 B VAL N 12 N3H1s 0.700 1.640 2.538 13.239 13.676 0.968 [OK] 4958 97 B VAL CA 3 C4H1s 0.770 1.880 3.021 13.540 13.123 1.032 possible 4959 97 B VAL C 1 C3H0s 0.770 1.610 2.894 9.465 8.563 1.105 [OK] 4960 97 B VAL O 16 O1H0u 0.660 1.420 2.400 15.895 16.181 0.982 [OK] 4961 97 B VAL CB 4 C4H1b 0.770 1.880 2.889 14.579 14.598 0.999 [OK] 4962 97 B VAL CG1 10 C4H3u 0.770 1.880 3.185 40.249 36.584 1.100 possible 4963 97 B VAL CG2 10 C4H3u 0.770 1.880 3.012 31.277 36.332 0.861 possible 4964 98 B LYS N 12 N3H1s 0.700 1.640 2.872 13.667 13.675 0.999 [OK] 4965 98 B LYS CA 3 C4H1s 0.770 1.880 2.524 12.472 13.324 0.936 [OK] 4966 98 B LYS C 1 C3H0s 0.770 1.610 2.810 8.891 8.759 1.015 [OK] 4967 98 B LYS O 16 O1H0u 0.660 1.420 2.686 16.840 16.049 1.049 [OK] 4968 98 B LYS CB 8 C4H2s 0.770 1.880 3.462 26.028 22.904 1.136 possible 4969 98 B LYS CG 8 C4H2s 0.770 1.880 3.499 28.403 23.131 1.228 possible 4970 98 B LYS CD 8 C4H2s 0.770 1.880 3.166 24.228 23.837 1.016 possible 4971 98 B LYS CE 9 C4H2b 0.770 1.880 3.395 26.857 23.934 1.122 possible 4972 98 B LYS NZ 14 N4H3u 0.700 1.640 3.106 25.638 21.213 1.209 possible 4973 99 B THR N 12 N3H1s 0.700 1.640 2.789 13.607 13.832 0.984 [OK] 4974 99 B THR CA 3 C4H1s 0.770 1.880 3.094 12.317 13.099 0.940 possible 4975 99 B THR C 1 C3H0s 0.770 1.610 2.660 8.937 8.738 1.023 [OK] 4976 99 B THR O 16 O1H0u 0.660 1.420 2.958 18.897 16.020 1.180 [OK] 4977 99 B THR CB 4 C4H1b 0.770 1.880 2.828 13.818 14.829 0.932 [OK] 4978 99 B THR OG1 17 O2H1u 0.660 1.460 2.623 20.373 18.123 1.124 [OK] 4979 99 B THR CG2 10 C4H3u 0.770 1.880 2.992 32.065 36.542 0.877 [OK] 4980 100 B MET N 12 N3H1s 0.700 1.640 2.903 13.567 13.564 1.000 [OK] 4981 100 B MET CA 3 C4H1s 0.770 1.880 2.610 12.461 13.231 0.942 [OK] 4982 100 B MET C 1 C3H0s 0.770 1.610 2.603 9.121 8.782 1.039 [OK] 4983 100 B MET O 16 O1H0u 0.660 1.420 2.380 14.792 16.277 0.909 [OK] 4984 100 B MET CB 8 C4H2s 0.770 1.880 3.018 23.137 23.645 0.979 possible 4985 100 B MET CG 9 C4H2b 0.770 1.880 3.379 32.846 24.009 1.368 possible 4986 100 B MET SD 19 S2H0u 1.040 1.770 3.431 33.553 30.093 1.115 possible 4987 100 B MET CE 10 C4H3u 0.770 1.880 3.428 40.571 37.161 1.092 possible 4988 101 B GLY N 12 N3H1s 0.700 1.640 2.814 14.800 14.854 0.996 [OK] 4989 101 B GLY CA 8 C4H2s 0.770 1.880 2.825 23.963 23.688 1.012 [OK] 4990 101 B GLY C 2 C3H0b 0.770 1.610 2.315 8.553 9.840 0.869 [OK] 4991 101 B GLY O 16 O1H0u 0.660 1.420 2.585 17.626 16.391 1.075 [OK] 4992 102 B HIS N 12 N3H1s 0.700 1.640 2.494 13.748 13.715 1.002 [OK] 4993 102 B HIS CA 3 C4H1s 0.770 1.880 3.049 14.527 13.467 1.079 possible 4994 102 B HIS C 1 C3H0s 0.770 1.610 2.414 8.267 8.882 0.931 [OK] 4995 102 B HIS O 16 O1H0u 0.660 1.420 2.324 14.001 16.082 0.871 [OK] 4996 102 B HIS CB 8 C4H2s 0.770 1.880 4.589 26.473 23.653 1.119 possible 4997 102 B HIS CG 2 C3H0b 0.770 1.610 2.277 9.231 9.952 0.928 [OK] 4998 102 B HIS ND1 13 N3H1b 0.700 1.640 6.626 41.961 15.506 2.706 possible 4999 102 B HIS CD2 5 C3H1s 0.770 1.760 2.505 18.269 21.085 0.866 [OK] 5000 102 B HIS CE1 5 C3H1s 0.770 1.760 5.800 40.290 20.636 1.952 possible 5001 102 B HIS NE2 13 N3H1b 0.700 1.640 3.615 18.824 15.337 1.227 possible 5002 103 B GLN N 12 N3H1s 0.700 1.640 4.281 16.270 13.616 1.195 possible 5003 103 B GLN CA 3 C4H1s 0.770 1.880 2.843 12.015 13.334 0.901 [OK] 5004 103 B GLN C 1 C3H0s 0.770 1.610 2.403 8.672 8.787 0.987 [OK] 5005 103 B GLN O 16 O1H0u 0.660 1.420 16.201 -1.000 15.993 -1.000 bad 5006 103 B GLN CB 8 C4H2s 0.770 1.880 7.651 45.168 23.275 1.941 possible 5007 103 B GLN CG 8 C4H2s 0.770 1.880 2.875 23.085 23.465 0.984 [OK] 5008 103 B GLN CD 2 C3H0b 0.770 1.610 2.448 9.365 9.659 0.970 [OK] 5009 103 B GLN OE1 16 O1H0u 0.660 1.420 23.766 -1.000 17.091 -1.000 bad 5010 103 B GLN NE2 15 N3H2u 0.700 1.640 4.035 32.208 24.150 1.334 possible 5011 104 B TRP N 12 N3H1s 0.700 1.640 2.538 11.552 13.791 0.838 [OK] 5012 104 B TRP CA 3 C4H1s 0.770 1.880 2.748 11.485 13.377 0.859 [OK] 5013 104 B TRP C 1 C3H0s 0.770 1.610 3.009 9.357 8.724 1.073 possible 5014 104 B TRP O 16 O1H0u 0.660 1.420 4.049 31.611 15.951 1.982 possible 5015 104 B TRP CB 8 C4H2s 0.770 1.880 5.033 39.669 24.004 1.653 possible 5016 104 B TRP CG 2 C3H0b 0.770 1.610 2.345 8.447 9.965 0.848 [OK] 5017 104 B TRP CD1 5 C3H1s 0.770 1.760 2.713 20.591 20.874 0.986 [OK] 5018 104 B TRP CD2 2 C3H0b 0.770 1.610 2.459 9.384 10.097 0.929 [OK] 5019 104 B TRP NE1 13 N3H1b 0.700 1.640 2.643 18.085 16.969 1.066 [OK] 5020 104 B TRP CE2 2 C3H0b 0.770 1.610 2.440 9.215 9.889 0.932 [OK] 5021 104 B TRP CE3 6 C3H1b 0.770 1.760 14.211 -1.000 20.448 -1.000 bad 5022 104 B TRP CZ2 6 C3H1b 0.770 1.760 4.198 21.628 21.012 1.029 possible 5023 104 B TRP CZ3 6 C3H1b 0.770 1.760 29.531 -1.000 21.516 -1.000 bad 5024 104 B TRP CH2 6 C3H1b 0.770 1.760 17.726 -1.000 21.339 -1.000 bad 5025 105 B TYR N 12 N3H1s 0.700 1.640 2.434 13.532 13.691 0.988 [OK] 5026 105 B TYR CA 3 C4H1s 0.770 1.880 3.328 17.107 13.330 1.283 possible 5027 105 B TYR C 1 C3H0s 0.770 1.610 2.447 8.841 8.770 1.008 [OK] 5028 105 B TYR O 16 O1H0u 0.660 1.420 2.357 15.972 16.124 0.991 [OK] 5029 105 B TYR CB 8 C4H2s 0.770 1.880 2.976 22.124 23.678 0.934 [OK] 5030 105 B TYR CG 2 C3H0b 0.770 1.610 2.256 8.885 9.732 0.913 [OK] 5031 105 B TYR CD1 5 C3H1s 0.770 1.760 3.566 21.406 20.171 1.061 possible 5032 105 B TYR CD2 5 C3H1s 0.770 1.760 2.668 20.585 20.728 0.993 [OK] 5033 105 B TYR CE1 5 C3H1s 0.770 1.760 7.833 42.808 20.675 2.071 possible 5034 105 B TYR CE2 5 C3H1s 0.770 1.760 3.222 21.255 20.810 1.021 possible 5035 105 B TYR CZ 2 C3H0b 0.770 1.610 2.864 10.321 9.926 1.040 [OK] 5036 105 B TYR OH 17 O2H1u 0.660 1.460 29.988 -1.000 19.173 -1.000 bad 5037 106 B TRP N 12 N3H1s 0.700 1.640 3.002 15.043 13.791 1.091 possible 5038 106 B TRP CA 3 C4H1s 0.770 1.880 2.634 13.996 13.377 1.046 [OK] 5039 106 B TRP C 1 C3H0s 0.770 1.610 2.403 9.094 8.724 1.042 [OK] 5040 106 B TRP O 16 O1H0u 0.660 1.420 2.495 16.011 15.951 1.004 [OK] 5041 106 B TRP CB 8 C4H2s 0.770 1.880 3.254 24.306 24.004 1.013 possible 5042 106 B TRP CG 2 C3H0b 0.770 1.610 2.585 10.156 9.965 1.019 [OK] 5043 106 B TRP CD1 5 C3H1s 0.770 1.760 3.291 23.279 20.874 1.115 possible 5044 106 B TRP CD2 2 C3H0b 0.770 1.610 2.593 10.566 10.097 1.046 [OK] 5045 106 B TRP NE1 13 N3H1b 0.700 1.640 2.608 14.952 16.969 0.881 [OK] 5046 106 B TRP CE2 2 C3H0b 0.770 1.610 2.376 8.929 9.889 0.903 [OK] 5047 106 B TRP CE3 6 C3H1b 0.770 1.760 2.801 19.221 20.448 0.940 [OK] 5048 106 B TRP CZ2 6 C3H1b 0.770 1.760 2.659 19.681 21.012 0.937 [OK] 5049 106 B TRP CZ3 6 C3H1b 0.770 1.760 3.065 22.617 21.516 1.051 possible 5050 106 B TRP CH2 6 C3H1b 0.770 1.760 2.689 18.017 21.339 0.844 [OK] 5051 107 B SER N 12 N3H1s 0.700 1.640 2.638 14.686 14.103 1.041 [OK] 5052 107 B SER CA 3 C4H1s 0.770 1.880 2.755 12.720 13.476 0.944 [OK] 5053 107 B SER C 1 C3H0s 0.770 1.610 2.785 9.047 8.923 1.014 [OK] 5054 107 B SER O 16 O1H0u 0.660 1.420 2.700 17.086 16.179 1.056 [OK] 5055 107 B SER CB 8 C4H2s 0.770 1.880 3.937 31.347 23.884 1.312 possible 5056 107 B SER OG 17 O2H1u 0.660 1.460 4.681 32.715 18.732 1.746 possible 5057 108 B TYR N 12 N3H1s 0.700 1.640 2.743 13.595 13.691 0.993 [OK] 5058 108 B TYR CA 3 C4H1s 0.770 1.880 2.829 12.376 13.330 0.928 [OK] 5059 108 B TYR C 1 C3H0s 0.770 1.610 2.767 9.776 8.770 1.115 [OK] 5060 108 B TYR O 16 O1H0u 0.660 1.420 2.775 19.371 16.124 1.201 [OK] 5061 108 B TYR CB 8 C4H2s 0.770 1.880 3.147 26.398 23.678 1.115 possible 5062 108 B TYR CG 2 C3H0b 0.770 1.610 2.600 9.991 9.732 1.027 [OK] 5063 108 B TYR CD1 5 C3H1s 0.770 1.760 2.912 21.538 20.171 1.068 [OK] 5064 108 B TYR CD2 5 C3H1s 0.770 1.760 3.073 23.661 20.728 1.141 possible 5065 108 B TYR CE1 5 C3H1s 0.770 1.760 3.002 20.491 20.675 0.991 possible 5066 108 B TYR CE2 5 C3H1s 0.770 1.760 3.075 20.497 20.810 0.985 possible 5067 108 B TYR CZ 2 C3H0b 0.770 1.610 2.634 9.319 9.926 0.939 [OK] 5068 108 B TYR OH 17 O2H1u 0.660 1.460 2.960 23.468 19.173 1.224 [OK] 5069 109 B GLU N 12 N3H1s 0.700 1.640 2.805 14.598 13.615 1.072 [OK] 5070 109 B GLU CA 3 C4H1s 0.770 1.880 2.852 12.788 13.399 0.954 [OK] 5071 109 B GLU C 1 C3H0s 0.770 1.610 2.426 9.002 8.675 1.038 [OK] 5072 109 B GLU O 16 O1H0u 0.660 1.420 2.816 17.640 16.023 1.101 [OK] 5073 109 B GLU CB 8 C4H2s 0.770 1.880 3.074 22.779 23.529 0.968 possible 5074 109 B GLU CG 8 C4H2s 0.770 1.880 3.312 28.851 23.513 1.227 possible 5075 109 B GLU CD 2 C3H0b 0.770 1.610 2.813 10.213 9.460 1.080 [OK] 5076 109 B GLU OE1 16 O1H0u 0.660 1.420 2.693 16.645 15.999 1.040 [OK] 5077 109 B GLU OE2 16 O1H0u 0.660 1.420 4.456 38.172 17.432 2.190 possible 5078 110 B TYR N 12 N3H1s 0.700 1.640 2.572 13.056 13.691 0.954 [OK] 5079 110 B TYR CA 3 C4H1s 0.770 1.880 3.340 15.971 13.330 1.198 possible 5080 110 B TYR C 1 C3H0s 0.770 1.610 3.188 9.621 8.770 1.097 possible 5081 110 B TYR O 16 O1H0u 0.660 1.420 3.479 22.962 16.124 1.424 possible 5082 110 B TYR CB 8 C4H2s 0.770 1.880 4.068 38.228 23.678 1.614 possible 5083 110 B TYR CG 2 C3H0b 0.770 1.610 2.816 10.287 9.732 1.057 [OK] 5084 110 B TYR CD1 5 C3H1s 0.770 1.760 3.064 20.851 20.171 1.034 possible 5085 110 B TYR CD2 5 C3H1s 0.770 1.760 3.173 22.604 20.728 1.091 possible 5086 110 B TYR CE1 5 C3H1s 0.770 1.760 2.870 20.540 20.675 0.993 [OK] 5087 110 B TYR CE2 5 C3H1s 0.770 1.760 2.724 18.435 20.810 0.886 [OK] 5088 110 B TYR CZ 2 C3H0b 0.770 1.610 2.552 9.597 9.926 0.967 [OK] 5089 110 B TYR OH 17 O2H1u 0.660 1.460 2.682 19.855 19.173 1.036 [OK] 5090 111 B THR N 12 N3H1s 0.700 1.640 3.163 20.271 13.832 1.466 possible 5091 111 B THR CA 3 C4H1s 0.770 1.880 2.947 12.864 13.099 0.982 [OK] 5092 111 B THR C 1 C3H0s 0.770 1.610 2.954 10.078 8.738 1.153 [OK] 5093 111 B THR O 16 O1H0u 0.660 1.420 3.411 22.229 16.020 1.388 possible 5094 111 B THR CB 4 C4H1b 0.770 1.880 3.083 15.624 14.829 1.054 possible 5095 111 B THR OG1 17 O2H1u 0.660 1.460 2.810 25.409 18.123 1.402 [OK] 5096 111 B THR CG2 10 C4H3u 0.770 1.880 3.688 36.983 36.542 1.012 possible 5097 112 B ASP N 12 N3H1s 0.700 1.640 3.266 21.514 13.895 1.548 possible 5098 112 B ASP CA 3 C4H1s 0.770 1.880 2.802 12.990 13.377 0.971 [OK] 5099 112 B ASP C 1 C3H0s 0.770 1.610 2.576 8.586 8.816 0.974 [OK] 5100 112 B ASP O 16 O1H0u 0.660 1.420 3.371 25.495 16.091 1.584 possible 5101 112 B ASP CB 8 C4H2s 0.770 1.880 3.442 25.310 23.481 1.078 possible 5102 112 B ASP CG 2 C3H0b 0.770 1.610 2.828 9.366 9.422 0.994 [OK] 5103 112 B ASP OD1 16 O1H0u 0.660 1.420 2.943 16.045 15.505 1.035 [OK] 5104 112 B ASP OD2 16 O1H0u 0.660 1.420 2.962 20.090 16.324 1.231 [OK] 5105 113 B TYR N 12 N3H1s 0.700 1.640 3.277 14.349 13.691 1.048 possible 5106 113 B TYR CA 3 C4H1s 0.770 1.880 3.798 15.213 13.330 1.141 possible 5107 113 B TYR C 1 C3H0s 0.770 1.610 2.977 9.811 8.770 1.119 [OK] 5108 113 B TYR O 16 O1H0u 0.660 1.420 6.377 87.433 16.124 5.423 possible 5109 113 B TYR CB 8 C4H2s 0.770 1.880 20.269 -1.000 23.678 -1.000 bad 5110 113 B TYR CG 2 C3H0b 0.770 1.610 0.257 -1.000 9.732 -1.000 bad 5111 113 B TYR CD1 5 C3H1s 0.770 1.760 5.736 47.765 20.171 2.368 possible 5112 113 B TYR CD2 5 C3H1s 0.770 1.760 13.429 -1.000 20.728 -1.000 bad 5113 113 B TYR CE1 5 C3H1s 0.770 1.760 4.921 41.243 20.675 1.995 possible 5114 113 B TYR CE2 5 C3H1s 0.770 1.760 14.135 -1.000 20.810 -1.000 bad 5115 113 B TYR CZ 2 C3H0b 0.770 1.610 4.693 16.413 9.926 1.654 possible 5116 113 B TYR OH 17 O2H1u 0.660 1.460 4.782 49.288 19.173 2.571 possible 5117 114 B GLU N 12 N3H1s 0.700 1.640 3.617 18.975 13.615 1.394 possible 5118 114 B GLU CA 3 C4H1s 0.770 1.880 3.929 14.036 13.399 1.048 possible 5119 114 B GLU C 1 C3H0s 0.770 1.610 3.933 12.492 8.675 1.440 possible 5120 114 B GLU O 16 O1H0u 0.660 1.420 3.240 20.280 16.023 1.266 possible 5121 114 B GLU CB 8 C4H2s 0.770 1.880 4.058 36.754 23.529 1.562 possible 5122 114 B GLU CG 8 C4H2s 0.770 1.880 6.029 61.727 23.513 2.625 possible 5123 114 B GLU CD 2 C3H0b 0.770 1.610 4.244 13.694 9.460 1.448 possible 5124 114 B GLU OE1 16 O1H0u 0.660 1.420 34.869 -1.000 15.999 -1.000 bad 5125 114 B GLU OE2 16 O1H0u 0.660 1.420 42.561 -1.000 17.432 -1.000 bad 5126 115 B ASP N 12 N3H1s 0.700 1.640 4.118 21.554 13.895 1.551 possible 5127 115 B ASP CA 3 C4H1s 0.770 1.880 3.071 15.695 13.377 1.173 possible 5128 115 B ASP C 1 C3H0s 0.770 1.610 3.078 12.003 8.816 1.362 possible 5129 115 B ASP O 16 O1H0u 0.660 1.420 17.312 -1.000 16.091 -1.000 bad 5130 115 B ASP CB 8 C4H2s 0.770 1.880 27.767 -1.000 23.481 -1.000 bad 5131 115 B ASP CG 2 C3H0b 0.770 1.610 3.058 -1.000 9.422 -1.000 bad 5132 115 B ASP OD1 16 O1H0u 0.660 1.420 7.926 56.014 15.505 3.613 possible 5133 115 B ASP OD2 16 O1H0u 0.660 1.420 20.128 -1.000 16.324 -1.000 bad 5134 116 B LEU N 12 N3H1s 0.700 1.640 2.808 16.516 13.655 1.210 [OK] 5135 116 B LEU CA 3 C4H1s 0.770 1.880 3.470 15.607 13.122 1.189 possible 5136 116 B LEU C 1 C3H0s 0.770 1.610 2.726 8.615 8.825 0.976 [OK] 5137 116 B LEU O 16 O1H0u 0.660 1.420 2.725 19.584 16.208 1.208 [OK] 5138 116 B LEU CB 8 C4H2s 0.770 1.880 3.973 30.768 22.951 1.341 possible 5139 116 B LEU CG 4 C4H1b 0.770 1.880 3.054 15.351 14.764 1.040 possible 5140 116 B LEU CD1 10 C4H3u 0.770 1.880 3.230 36.296 37.425 0.970 possible 5141 116 B LEU CD2 10 C4H3u 0.770 1.880 3.891 40.467 37.143 1.089 possible 5142 117 B SER N 12 N3H1s 0.700 1.640 3.809 19.414 14.103 1.377 possible 5143 117 B SER CA 3 C4H1s 0.770 1.880 2.973 13.179 13.476 0.978 [OK] 5144 117 B SER C 1 C3H0s 0.770 1.610 2.834 9.031 8.923 1.012 [OK] 5145 117 B SER O 16 O1H0u 0.660 1.420 22.453 -1.000 16.179 -1.000 bad 5146 117 B SER CB 8 C4H2s 0.770 1.880 13.783 -1.000 23.884 -1.000 bad 5147 117 B SER OG 17 O2H1u 0.660 1.460 20.746 -1.000 18.732 -1.000 bad 5148 118 B PHE N 12 N3H1s 0.700 1.640 2.839 15.339 13.691 1.120 [OK] 5149 118 B PHE CA 3 C4H1s 0.770 1.880 5.946 22.967 13.449 1.708 possible 5150 118 B PHE C 1 C3H0s 0.770 1.610 3.063 9.980 8.753 1.140 possible 5151 118 B PHE O 16 O1H0u 0.660 1.420 2.848 18.428 16.151 1.141 [OK] 5152 118 B PHE CB 8 C4H2s 0.770 1.880 6.625 42.674 23.777 1.795 possible 5153 118 B PHE CG 2 C3H0b 0.770 1.610 2.512 9.314 9.721 0.958 [OK] 5154 118 B PHE CD1 5 C3H1s 0.770 1.760 3.074 21.276 20.405 1.043 possible 5155 118 B PHE CD2 6 C3H1b 0.770 1.760 2.975 21.340 21.051 1.014 [OK] 5156 118 B PHE CE1 6 C3H1b 0.770 1.760 2.983 20.669 21.580 0.958 [OK] 5157 118 B PHE CE2 6 C3H1b 0.770 1.760 3.314 23.425 21.680 1.080 possible 5158 118 B PHE CZ 6 C3H1b 0.770 1.760 2.867 22.481 21.666 1.038 [OK] 5159 119 B ASP N 12 N3H1s 0.700 1.640 7.136 30.481 13.895 2.194 possible 5160 119 B ASP CA 3 C4H1s 0.770 1.880 2.734 13.455 13.377 1.006 [OK] 5161 119 B ASP C 1 C3H0s 0.770 1.610 2.686 10.144 8.816 1.151 [OK] 5162 119 B ASP O 16 O1H0u 0.660 1.420 3.597 21.931 16.091 1.363 possible 5163 119 B ASP CB 8 C4H2s 0.770 1.880 6.417 44.671 23.481 1.902 possible 5164 119 B ASP CG 2 C3H0b 0.770 1.610 4.279 11.965 9.422 1.270 possible 5165 119 B ASP OD1 16 O1H0u 0.660 1.420 7.656 59.990 15.505 3.869 possible 5166 119 B ASP OD2 16 O1H0u 0.660 1.420 30.877 -1.000 16.324 -1.000 bad 5167 120 B SER N 12 N3H1s 0.700 1.640 2.703 15.387 14.103 1.091 [OK] 5168 120 B SER CA 3 C4H1s 0.770 1.880 2.590 13.368 13.476 0.992 [OK] 5169 120 B SER C 1 C3H0s 0.770 1.610 2.448 8.554 8.923 0.959 [OK] 5170 120 B SER O 16 O1H0u 0.660 1.420 2.850 22.276 16.179 1.377 [OK] 5171 120 B SER CB 8 C4H2s 0.770 1.880 2.960 24.402 23.884 1.022 [OK] 5172 120 B SER OG 17 O2H1u 0.660 1.460 2.862 22.972 18.732 1.226 [OK] 5173 121 B TYR N 12 N3H1s 0.700 1.640 2.898 14.649 13.691 1.070 [OK] 5174 121 B TYR CA 3 C4H1s 0.770 1.880 3.263 14.893 13.330 1.117 possible 5175 121 B TYR C 1 C3H0s 0.770 1.610 2.819 8.877 8.770 1.012 [OK] 5176 121 B TYR O 16 O1H0u 0.660 1.420 2.917 15.384 16.124 0.954 [OK] 5177 121 B TYR CB 8 C4H2s 0.770 1.880 5.891 40.167 23.678 1.696 possible 5178 121 B TYR CG 2 C3H0b 0.770 1.610 6.412 16.432 9.732 1.688 possible 5179 121 B TYR CD1 5 C3H1s 0.770 1.760 6.676 35.150 20.171 1.743 possible 5180 121 B TYR CD2 5 C3H1s 0.770 1.760 20.150 -1.000 20.728 -1.000 bad 5181 121 B TYR CE1 5 C3H1s 0.770 1.760 10.097 -1.000 20.675 -1.000 bad 5182 121 B TYR CE2 5 C3H1s 0.770 1.760 24.315 -1.000 20.810 -1.000 bad 5183 121 B TYR CZ 2 C3H0b 0.770 1.610 1.592 -1.000 9.926 -1.000 bad 5184 121 B TYR OH 17 O2H1u 0.660 1.460 28.291 -1.000 19.173 -1.000 bad 5185 122 B MET N 12 N3H1s 0.700 1.640 3.676 23.102 13.564 1.703 possible 5186 122 B MET CA 3 C4H1s 0.770 1.880 2.623 13.448 13.231 1.016 [OK] 5187 122 B MET C 1 C3H0s 0.770 1.610 2.714 8.013 8.782 0.912 [OK] 5188 122 B MET O 16 O1H0u 0.660 1.420 4.556 34.230 16.277 2.103 possible 5189 122 B MET CB 8 C4H2s 0.770 1.880 4.751 29.674 23.645 1.255 possible 5190 122 B MET CG 9 C4H2b 0.770 1.880 3.167 25.695 24.009 1.070 possible 5191 122 B MET SD 19 S2H0u 1.040 1.770 3.102 30.725 30.093 1.021 possible 5192 122 B MET CE 10 C4H3u 0.770 1.880 6.340 88.130 37.161 2.372 possible 5193 123 B ILE N 12 N3H1s 0.700 1.640 2.796 12.796 13.633 0.939 [OK] 5194 123 B ILE CA 3 C4H1s 0.770 1.880 3.593 13.578 13.007 1.044 possible 5195 123 B ILE C 1 C3H0s 0.770 1.610 2.469 7.814 8.470 0.923 [OK] 5196 123 B ILE O 16 O1H0u 0.660 1.420 2.745 20.838 16.144 1.291 [OK] 5197 123 B ILE CB 4 C4H1b 0.770 1.880 2.767 13.310 14.227 0.936 [OK] 5198 123 B ILE CG1 9 C4H2b 0.770 1.880 4.879 33.291 24.187 1.376 possible 5199 123 B ILE CG2 10 C4H3u 0.770 1.880 4.321 38.661 35.961 1.075 possible 5200 123 B ILE CD1 10 C4H3u 0.770 1.880 4.509 62.750 38.377 1.635 possible 5201 124 B PRO N 11 N3H0u 0.700 1.640 2.883 8.996 8.823 1.020 [OK] 5202 124 B PRO CA 4 C4H1b 0.770 1.880 4.139 18.249 13.955 1.308 possible 5203 124 B PRO C 1 C3H0s 0.770 1.610 2.377 8.102 8.812 0.919 [OK] 5204 124 B PRO O 16 O1H0u 0.660 1.420 2.275 14.334 16.169 0.886 [OK] 5205 124 B PRO CB 9 C4H2b 0.770 1.880 18.741 -1.000 25.563 -1.000 bad 5206 124 B PRO CG 9 C4H2b 0.770 1.880 30.837 -1.000 25.832 -1.000 bad 5207 124 B PRO CD 8 C4H2s 0.770 1.880 5.394 39.059 23.836 1.639 possible 5208 125 B THR N 12 N3H1s 0.700 1.640 4.103 21.384 13.832 1.546 possible 5209 125 B THR CA 3 C4H1s 0.770 1.880 2.908 13.023 13.099 0.994 [OK] 5210 125 B THR C 1 C3H0s 0.770 1.610 2.784 8.482 8.738 0.971 [OK] 5211 125 B THR O 16 O1H0u 0.660 1.420 3.061 18.163 16.020 1.134 possible 5212 125 B THR CB 4 C4H1b 0.770 1.880 3.016 15.107 14.829 1.019 possible 5213 125 B THR OG1 17 O2H1u 0.660 1.460 6.592 43.341 18.123 2.391 possible 5214 125 B THR CG2 10 C4H3u 0.770 1.880 35.248 -1.000 36.542 -1.000 bad 5215 126 B SER N 12 N3H1s 0.700 1.640 3.863 20.518 14.103 1.455 possible 5216 126 B SER CA 3 C4H1s 0.770 1.880 4.164 18.890 13.476 1.402 possible 5217 126 B SER C 1 C3H0s 0.770 1.610 2.805 9.730 8.923 1.090 [OK] 5218 126 B SER O 16 O1H0u 0.660 1.420 29.894 -1.000 16.179 -1.000 bad 5219 126 B SER CB 8 C4H2s 0.770 1.880 44.079 -1.000 23.884 -1.000 bad 5220 126 B SER OG 17 O2H1u 0.660 1.460 24.932 -1.000 18.732 -1.000 bad 5221 127 B GLU N 12 N3H1s 0.700 1.640 2.553 13.204 13.615 0.970 [OK] 5222 127 B GLU CA 3 C4H1s 0.770 1.880 8.450 -1.000 13.399 -1.000 bad 5223 127 B GLU C 1 C3H0s 0.770 1.610 4.476 11.639 8.675 1.342 possible 5224 127 B GLU O 16 O1H0u 0.660 1.420 7.023 48.440 16.023 3.023 possible 5225 127 B GLU CB 8 C4H2s 0.770 1.880 5.749 30.811 23.529 1.309 possible 5226 127 B GLU CG 8 C4H2s 0.770 1.880 23.262 -1.000 23.513 -1.000 bad 5227 127 B GLU CD 2 C3H0b 0.770 1.610 3.587 -1.000 9.460 -1.000 bad 5228 127 B GLU OE1 16 O1H0u 0.660 1.420 32.545 -1.000 15.999 -1.000 bad 5229 127 B GLU OE2 16 O1H0u 0.660 1.420 38.227 -1.000 17.432 -1.000 bad 5230 128 B LEU N 12 N3H1s 0.700 1.640 2.985 15.366 13.655 1.125 [OK] 5231 128 B LEU CA 3 C4H1s 0.770 1.880 2.585 12.613 13.122 0.961 [OK] 5232 128 B LEU C 1 C3H0s 0.770 1.610 2.933 8.983 8.825 1.018 [OK] 5233 128 B LEU O 16 O1H0u 0.660 1.420 7.395 59.173 16.208 3.651 possible 5234 128 B LEU CB 8 C4H2s 0.770 1.880 2.992 20.831 22.951 0.908 [OK] 5235 128 B LEU CG 4 C4H1b 0.770 1.880 2.882 13.664 14.764 0.925 [OK] 5236 128 B LEU CD1 10 C4H3u 0.770 1.880 2.924 34.316 37.425 0.917 [OK] 5237 128 B LEU CD2 10 C4H3u 0.770 1.880 3.090 35.057 37.143 0.944 possible 5238 129 B LYS N 12 N3H1s 0.700 1.640 2.691 12.839 13.675 0.939 [OK] 5239 129 B LYS CA 3 C4H1s 0.770 1.880 4.712 15.738 13.324 1.181 possible 5240 129 B LYS C 1 C3H0s 0.770 1.610 2.443 8.541 8.759 0.975 [OK] 5241 129 B LYS O 16 O1H0u 0.660 1.420 2.497 12.901 16.049 0.804 [OK] 5242 129 B LYS CB 8 C4H2s 0.770 1.880 4.738 40.500 22.904 1.768 possible 5243 129 B LYS CG 8 C4H2s 0.770 1.880 16.275 -1.000 23.131 -1.000 bad 5244 129 B LYS CD 8 C4H2s 0.770 1.880 5.992 78.918 23.837 3.311 possible 5245 129 B LYS CE 9 C4H2b 0.770 1.880 44.921 -1.000 23.934 -1.000 bad 5246 129 B LYS NZ 14 N4H3u 0.700 1.640 41.256 -1.000 21.213 -1.000 bad 5247 130 B PRO N 11 N3H0u 0.700 1.640 3.071 9.052 8.823 1.026 possible 5248 130 B PRO CA 4 C4H1b 0.770 1.880 3.064 13.334 13.955 0.955 possible 5249 130 B PRO C 1 C3H0s 0.770 1.610 2.602 8.280 8.812 0.940 [OK] 5250 130 B PRO O 16 O1H0u 0.660 1.420 3.250 25.598 16.169 1.583 possible 5251 130 B PRO CB 9 C4H2b 0.770 1.880 4.082 36.198 25.563 1.416 possible 5252 130 B PRO CG 9 C4H2b 0.770 1.880 31.414 -1.000 25.832 -1.000 bad 5253 130 B PRO CD 8 C4H2s 0.770 1.880 25.642 -1.000 23.836 -1.000 bad 5254 131 B GLY N 12 N3H1s 0.700 1.640 2.851 16.935 14.854 1.140 [OK] 5255 131 B GLY CA 8 C4H2s 0.770 1.880 2.903 24.107 23.688 1.018 [OK] 5256 131 B GLY C 2 C3H0b 0.770 1.610 2.853 11.236 9.840 1.142 [OK] 5257 131 B GLY O 16 O1H0u 0.660 1.420 2.929 19.019 16.391 1.160 [OK] 5258 132 B GLU N 12 N3H1s 0.700 1.640 2.741 13.215 13.615 0.971 [OK] 5259 132 B GLU CA 3 C4H1s 0.770 1.880 2.492 11.177 13.399 0.834 [OK] 5260 132 B GLU C 1 C3H0s 0.770 1.610 2.510 9.638 8.675 1.111 [OK] 5261 132 B GLU O 16 O1H0u 0.660 1.420 2.604 18.712 16.023 1.168 [OK] 5262 132 B GLU CB 8 C4H2s 0.770 1.880 2.580 19.982 23.529 0.849 [OK] 5263 132 B GLU CG 8 C4H2s 0.770 1.880 3.575 29.556 23.513 1.257 possible 5264 132 B GLU CD 2 C3H0b 0.770 1.610 2.493 9.498 9.460 1.004 [OK] 5265 132 B GLU OE1 16 O1H0u 0.660 1.420 2.944 20.075 15.999 1.255 [OK] 5266 132 B GLU OE2 16 O1H0u 0.660 1.420 4.495 47.710 17.432 2.737 possible 5267 133 B LEU N 12 N3H1s 0.700 1.640 2.500 13.140 13.655 0.962 [OK] 5268 133 B LEU CA 3 C4H1s 0.770 1.880 2.860 12.030 13.122 0.917 [OK] 5269 133 B LEU C 1 C3H0s 0.770 1.610 2.945 9.778 8.825 1.108 [OK] 5270 133 B LEU O 16 O1H0u 0.660 1.420 2.511 15.047 16.208 0.928 [OK] 5271 133 B LEU CB 8 C4H2s 0.770 1.880 3.729 24.340 22.951 1.061 possible 5272 133 B LEU CG 4 C4H1b 0.770 1.880 3.461 14.749 14.764 0.999 possible 5273 133 B LEU CD1 10 C4H3u 0.770 1.880 3.493 41.853 37.425 1.118 possible 5274 133 B LEU CD2 10 C4H3u 0.770 1.880 3.891 47.185 37.143 1.270 possible 5275 134 B ARG N 12 N3H1s 0.700 1.640 3.447 24.309 13.650 1.781 possible 5276 134 B ARG CA 3 C4H1s 0.770 1.880 2.559 11.827 13.422 0.881 [OK] 5277 134 B ARG C 1 C3H0s 0.770 1.610 2.335 8.063 8.838 0.912 [OK] 5278 134 B ARG O 16 O1H0u 0.660 1.420 2.685 23.809 16.084 1.480 [OK] 5279 134 B ARG CB 8 C4H2s 0.770 1.880 3.283 26.980 23.088 1.169 possible 5280 134 B ARG CG 8 C4H2s 0.770 1.880 2.899 23.877 23.640 1.010 [OK] 5281 134 B ARG CD 8 C4H2s 0.770 1.880 3.149 21.756 23.300 0.934 possible 5282 134 B ARG NE 13 N3H1b 0.700 1.640 3.906 20.434 15.569 1.313 possible 5283 134 B ARG CZ 2 C3H0b 0.770 1.610 2.306 9.121 9.747 0.936 [OK] 5284 134 B ARG NH1 15 N3H2u 0.700 1.640 2.964 24.736 22.782 1.086 [OK] 5285 134 B ARG NH2 15 N3H2u 0.700 1.640 3.978 24.915 23.810 1.046 possible 5286 135 B LEU N 12 N3H1s 0.700 1.640 3.204 17.449 13.655 1.278 possible 5287 135 B LEU CA 3 C4H1s 0.770 1.880 2.738 12.782 13.122 0.974 [OK] 5288 135 B LEU C 1 C3H0s 0.770 1.610 2.763 10.694 8.825 1.212 [OK] 5289 135 B LEU O 16 O1H0u 0.660 1.420 2.873 22.143 16.208 1.366 [OK] 5290 135 B LEU CB 8 C4H2s 0.770 1.880 3.174 27.103 22.951 1.181 possible 5291 135 B LEU CG 4 C4H1b 0.770 1.880 2.958 14.618 14.764 0.990 [OK] 5292 135 B LEU CD1 10 C4H3u 0.770 1.880 3.454 37.327 37.425 0.997 possible 5293 135 B LEU CD2 10 C4H3u 0.770 1.880 4.121 46.877 37.143 1.262 possible 5294 136 B LEU N 12 N3H1s 0.700 1.640 2.895 14.072 13.655 1.031 [OK] 5295 136 B LEU CA 3 C4H1s 0.770 1.880 2.639 12.242 13.122 0.933 [OK] 5296 136 B LEU C 1 C3H0s 0.770 1.610 2.587 9.335 8.825 1.058 [OK] 5297 136 B LEU O 16 O1H0u 0.660 1.420 2.738 16.651 16.208 1.027 [OK] 5298 136 B LEU CB 8 C4H2s 0.770 1.880 2.897 19.601 22.951 0.854 [OK] 5299 136 B LEU CG 4 C4H1b 0.770 1.880 3.297 14.826 14.764 1.004 possible 5300 136 B LEU CD1 10 C4H3u 0.770 1.880 4.036 55.857 37.425 1.492 possible 5301 136 B LEU CD2 10 C4H3u 0.770 1.880 4.215 48.138 37.143 1.296 possible 5302 137 B GLU N 12 N3H1s 0.700 1.640 2.976 16.886 13.615 1.240 [OK] 5303 137 B GLU CA 3 C4H1s 0.770 1.880 2.651 12.022 13.399 0.897 [OK] 5304 137 B GLU C 1 C3H0s 0.770 1.610 2.523 8.734 8.675 1.007 [OK] 5305 137 B GLU O 16 O1H0u 0.660 1.420 2.724 17.070 16.023 1.065 [OK] 5306 137 B GLU CB 8 C4H2s 0.770 1.880 3.236 24.373 23.529 1.036 possible 5307 137 B GLU CG 8 C4H2s 0.770 1.880 3.094 21.547 23.513 0.916 possible 5308 137 B GLU CD 2 C3H0b 0.770 1.610 2.811 10.452 9.460 1.105 [OK] 5309 137 B GLU OE1 16 O1H0u 0.660 1.420 2.976 23.851 15.999 1.491 [OK] 5310 137 B GLU OE2 16 O1H0u 0.660 1.420 2.418 14.396 17.432 0.826 [OK] 5311 138 B VAL N 12 N3H1s 0.700 1.640 3.110 16.408 13.676 1.200 possible 5312 138 B VAL CA 3 C4H1s 0.770 1.880 2.438 12.075 13.123 0.920 [OK] 5313 138 B VAL C 1 C3H0s 0.770 1.610 2.220 7.893 8.563 0.922 [OK] 5314 138 B VAL O 16 O1H0u 0.660 1.420 3.329 25.186 16.181 1.557 possible 5315 138 B VAL CB 4 C4H1b 0.770 1.880 2.871 12.588 14.598 0.862 [OK] 5316 138 B VAL CG1 10 C4H3u 0.770 1.880 3.212 32.022 36.584 0.875 possible 5317 138 B VAL CG2 10 C4H3u 0.770 1.880 3.316 36.969 36.332 1.018 possible 5318 139 B ASP N 12 N3H1s 0.700 1.640 2.622 12.738 13.895 0.917 [OK] 5319 139 B ASP CA 3 C4H1s 0.770 1.880 4.449 15.853 13.377 1.185 possible 5320 139 B ASP C 1 C3H0s 0.770 1.610 2.573 8.942 8.816 1.014 [OK] 5321 139 B ASP O 16 O1H0u 0.660 1.420 6.139 46.578 16.091 2.895 possible 5322 139 B ASP CB 8 C4H2s 0.770 1.880 26.799 -1.000 23.481 -1.000 bad 5323 139 B ASP CG 2 C3H0b 0.770 1.610 3.172 10.339 9.422 1.097 possible 5324 139 B ASP OD1 16 O1H0u 0.660 1.420 2.559 14.717 15.505 0.949 [OK] 5325 139 B ASP OD2 16 O1H0u 0.660 1.420 22.762 -1.000 16.324 -1.000 bad 5326 140 B ASN N 12 N3H1s 0.700 1.640 2.441 12.431 13.695 0.908 [OK] 5327 140 B ASN CA 3 C4H1s 0.770 1.880 3.183 13.402 13.167 1.018 possible 5328 140 B ASN C 1 C3H0s 0.770 1.610 2.708 8.353 8.928 0.936 [OK] 5329 140 B ASN O 16 O1H0u 0.660 1.420 2.669 16.988 16.199 1.049 [OK] 5330 140 B ASN CB 8 C4H2s 0.770 1.880 3.800 26.968 23.128 1.166 possible 5331 140 B ASN CG 2 C3H0b 0.770 1.610 2.806 10.681 9.599 1.113 [OK] 5332 140 B ASN OD1 16 O1H0u 0.660 1.420 26.289 -1.000 16.664 -1.000 bad 5333 140 B ASN ND2 15 N3H2u 0.700 1.640 24.205 -1.000 23.083 -1.000 bad 5334 141 B ARG N 12 N3H1s 0.700 1.640 2.887 14.003 13.650 1.026 [OK] 5335 141 B ARG CA 3 C4H1s 0.770 1.880 3.074 13.675 13.422 1.019 possible 5336 141 B ARG C 1 C3H0s 0.770 1.610 2.716 9.207 8.838 1.042 [OK] 5337 141 B ARG O 16 O1H0u 0.660 1.420 3.236 22.127 16.084 1.376 possible 5338 141 B ARG CB 8 C4H2s 0.770 1.880 2.959 26.525 23.088 1.149 [OK] 5339 141 B ARG CG 8 C4H2s 0.770 1.880 3.254 24.366 23.640 1.031 possible 5340 141 B ARG CD 8 C4H2s 0.770 1.880 3.004 22.798 23.300 0.978 possible 5341 141 B ARG NE 13 N3H1b 0.700 1.640 3.258 23.823 15.569 1.530 possible 5342 141 B ARG CZ 2 C3H0b 0.770 1.610 2.815 10.285 9.747 1.055 [OK] 5343 141 B ARG NH1 15 N3H2u 0.700 1.640 3.044 21.532 22.782 0.945 possible 5344 141 B ARG NH2 15 N3H2u 0.700 1.640 4.736 60.373 23.810 2.536 possible 5345 142 B VAL N 12 N3H1s 0.700 1.640 2.773 14.081 13.676 1.030 [OK] 5346 142 B VAL CA 3 C4H1s 0.770 1.880 2.833 13.971 13.123 1.065 [OK] 5347 142 B VAL C 1 C3H0s 0.770 1.610 2.530 8.717 8.563 1.018 [OK] 5348 142 B VAL O 16 O1H0u 0.660 1.420 2.640 17.061 16.181 1.054 [OK] 5349 142 B VAL CB 4 C4H1b 0.770 1.880 3.059 16.406 14.598 1.124 possible 5350 142 B VAL CG1 10 C4H3u 0.770 1.880 3.409 36.029 36.584 0.985 possible 5351 142 B VAL CG2 10 C4H3u 0.770 1.880 3.230 39.180 36.332 1.078 possible 5352 143 B VAL N 12 N3H1s 0.700 1.640 2.564 15.505 13.676 1.134 [OK] 5353 143 B VAL CA 3 C4H1s 0.770 1.880 2.503 12.120 13.123 0.924 [OK] 5354 143 B VAL C 1 C3H0s 0.770 1.610 2.217 8.275 8.563 0.966 [OK] 5355 143 B VAL O 16 O1H0u 0.660 1.420 2.379 14.289 16.181 0.883 [OK] 5356 143 B VAL CB 4 C4H1b 0.770 1.880 2.601 13.154 14.598 0.901 [OK] 5357 143 B VAL CG1 10 C4H3u 0.770 1.880 3.004 36.362 36.584 0.994 possible 5358 143 B VAL CG2 10 C4H3u 0.770 1.880 3.308 39.878 36.332 1.098 possible 5359 144 B LEU N 12 N3H1s 0.700 1.640 2.740 13.759 13.655 1.008 [OK] 5360 144 B LEU CA 3 C4H1s 0.770 1.880 2.843 12.384 13.122 0.944 [OK] 5361 144 B LEU C 1 C3H0s 0.770 1.610 2.502 9.177 8.825 1.040 [OK] 5362 144 B LEU O 16 O1H0u 0.660 1.420 2.345 16.586 16.208 1.023 [OK] 5363 144 B LEU CB 8 C4H2s 0.770 1.880 3.110 21.613 22.951 0.942 possible 5364 144 B LEU CG 4 C4H1b 0.770 1.880 2.967 13.430 14.764 0.910 [OK] 5365 144 B LEU CD1 10 C4H3u 0.770 1.880 3.228 39.886 37.425 1.066 possible 5366 144 B LEU CD2 10 C4H3u 0.770 1.880 3.110 37.275 37.143 1.004 possible 5367 145 B PRO N 11 N3H0u 0.700 1.640 2.378 8.448 8.823 0.958 [OK] 5368 145 B PRO CA 4 C4H1b 0.770 1.880 2.784 14.137 13.955 1.013 [OK] 5369 145 B PRO C 1 C3H0s 0.770 1.610 2.328 8.383 8.812 0.951 [OK] 5370 145 B PRO O 16 O1H0u 0.660 1.420 2.914 19.455 16.169 1.203 [OK] 5371 145 B PRO CB 9 C4H2b 0.770 1.880 3.279 27.553 25.563 1.078 possible 5372 145 B PRO CG 9 C4H2b 0.770 1.880 3.203 25.684 25.832 0.994 possible 5373 145 B PRO CD 8 C4H2s 0.770 1.880 2.858 22.836 23.836 0.958 [OK] 5374 146 B MET N 12 N3H1s 0.700 1.640 2.805 14.160 13.564 1.044 [OK] 5375 146 B MET CA 3 C4H1s 0.770 1.880 3.237 13.927 13.231 1.053 possible 5376 146 B MET C 1 C3H0s 0.770 1.610 2.729 8.619 8.782 0.981 [OK] 5377 146 B MET O 16 O1H0u 0.660 1.420 4.270 25.283 16.277 1.553 possible 5378 146 B MET CB 8 C4H2s 0.770 1.880 3.119 26.870 23.645 1.136 possible 5379 146 B MET CG 9 C4H2b 0.770 1.880 4.088 24.425 24.009 1.017 possible 5380 146 B MET SD 19 S2H0u 1.040 1.770 3.063 28.443 30.093 0.945 possible 5381 146 B MET CE 10 C4H3u 0.770 1.880 4.224 42.420 37.161 1.142 possible 5382 147 B GLU N 12 N3H1s 0.700 1.640 3.106 15.791 13.615 1.160 possible 5383 147 B GLU CA 3 C4H1s 0.770 1.880 3.455 15.618 13.399 1.166 possible 5384 147 B GLU C 1 C3H0s 0.770 1.610 2.600 9.612 8.675 1.108 [OK] 5385 147 B GLU O 16 O1H0u 0.660 1.420 20.108 -1.000 16.023 -1.000 bad 5386 147 B GLU CB 8 C4H2s 0.770 1.880 6.268 51.048 23.529 2.170 possible 5387 147 B GLU CG 8 C4H2s 0.770 1.880 4.665 35.528 23.513 1.511 possible 5388 147 B GLU CD 2 C3H0b 0.770 1.610 5.447 11.603 9.460 1.226 possible 5389 147 B GLU OE1 16 O1H0u 0.660 1.420 18.437 -1.000 15.999 -1.000 bad 5390 147 B GLU OE2 16 O1H0u 0.660 1.420 30.337 -1.000 17.432 -1.000 bad 5391 148 B MET N 12 N3H1s 0.700 1.640 3.106 16.564 13.564 1.221 possible 5392 148 B MET CA 3 C4H1s 0.770 1.880 5.235 18.681 13.231 1.412 possible 5393 148 B MET C 1 C3H0s 0.770 1.610 2.537 9.408 8.782 1.071 [OK] 5394 148 B MET O 16 O1H0u 0.660 1.420 2.858 20.749 16.277 1.275 [OK] 5395 148 B MET CB 8 C4H2s 0.770 1.880 3.689 24.247 23.645 1.025 possible 5396 148 B MET CG 9 C4H2b 0.770 1.880 6.134 42.057 24.009 1.752 possible 5397 148 B MET SD 19 S2H0u 1.040 1.770 19.873 -1.000 30.093 -1.000 bad 5398 148 B MET CE 10 C4H3u 0.770 1.880 3.999 48.721 37.161 1.311 possible 5399 149 B THR N 12 N3H1s 0.700 1.640 5.892 28.492 13.832 2.060 possible 5400 149 B THR CA 3 C4H1s 0.770 1.880 2.775 12.723 13.099 0.971 [OK] 5401 149 B THR C 1 C3H0s 0.770 1.610 2.475 8.146 8.738 0.932 [OK] 5402 149 B THR O 16 O1H0u 0.660 1.420 2.783 18.574 16.020 1.159 [OK] 5403 149 B THR CB 4 C4H1b 0.770 1.880 4.615 20.675 14.829 1.394 possible 5404 149 B THR OG1 17 O2H1u 0.660 1.460 7.417 102.038 18.123 5.630 possible 5405 149 B THR CG2 10 C4H3u 0.770 1.880 3.951 48.136 36.542 1.317 possible 5406 150 B ILE N 12 N3H1s 0.700 1.640 2.507 12.771 13.633 0.937 [OK] 5407 150 B ILE CA 3 C4H1s 0.770 1.880 2.721 12.921 13.007 0.993 [OK] 5408 150 B ILE C 1 C3H0s 0.770 1.610 2.682 9.055 8.470 1.069 [OK] 5409 150 B ILE O 16 O1H0u 0.660 1.420 2.809 19.024 16.144 1.178 [OK] 5410 150 B ILE CB 4 C4H1b 0.770 1.880 2.790 13.329 14.227 0.937 [OK] 5411 150 B ILE CG1 9 C4H2b 0.770 1.880 3.083 25.402 24.187 1.050 possible 5412 150 B ILE CG2 10 C4H3u 0.770 1.880 3.026 38.257 35.961 1.064 possible 5413 150 B ILE CD1 10 C4H3u 0.770 1.880 3.405 38.117 38.377 0.993 possible 5414 151 B ARG N 12 N3H1s 0.700 1.640 2.833 13.085 13.650 0.959 [OK] 5415 151 B ARG CA 3 C4H1s 0.770 1.880 3.304 15.728 13.422 1.172 possible 5416 151 B ARG C 1 C3H0s 0.770 1.610 2.387 7.884 8.838 0.892 [OK] 5417 151 B ARG O 16 O1H0u 0.660 1.420 2.394 15.590 16.084 0.969 [OK] 5418 151 B ARG CB 8 C4H2s 0.770 1.880 3.364 25.035 23.088 1.084 possible 5419 151 B ARG CG 8 C4H2s 0.770 1.880 3.225 24.237 23.640 1.025 possible 5420 151 B ARG CD 8 C4H2s 0.770 1.880 3.190 22.233 23.300 0.954 possible 5421 151 B ARG NE 13 N3H1b 0.700 1.640 3.251 15.663 15.569 1.006 possible 5422 151 B ARG CZ 2 C3H0b 0.770 1.610 3.265 10.720 9.747 1.100 possible 5423 151 B ARG NH1 15 N3H2u 0.700 1.640 3.096 22.765 22.782 0.999 possible 5424 151 B ARG NH2 15 N3H2u 0.700 1.640 3.666 33.952 23.810 1.426 possible 5425 152 B MET N 12 N3H1s 0.700 1.640 2.692 14.699 13.564 1.084 [OK] 5426 152 B MET CA 3 C4H1s 0.770 1.880 2.683 12.129 13.231 0.917 [OK] 5427 152 B MET C 1 C3H0s 0.770 1.610 2.534 9.144 8.782 1.041 [OK] 5428 152 B MET O 16 O1H0u 0.660 1.420 2.607 16.828 16.277 1.034 [OK] 5429 152 B MET CB 8 C4H2s 0.770 1.880 3.042 23.738 23.645 1.004 possible 5430 152 B MET CG 9 C4H2b 0.770 1.880 3.053 27.698 24.009 1.154 possible 5431 152 B MET SD 19 S2H0u 1.040 1.770 3.080 37.014 30.093 1.230 possible 5432 152 B MET CE 10 C4H3u 0.770 1.880 2.985 36.807 37.161 0.990 [OK] 5433 153 B LEU N 12 N3H1s 0.700 1.640 2.642 14.027 13.655 1.027 [OK] 5434 153 B LEU CA 3 C4H1s 0.770 1.880 2.614 11.520 13.122 0.878 [OK] 5435 153 B LEU C 1 C3H0s 0.770 1.610 2.711 9.535 8.825 1.080 [OK] 5436 153 B LEU O 16 O1H0u 0.660 1.420 2.938 17.727 16.208 1.094 [OK] 5437 153 B LEU CB 8 C4H2s 0.770 1.880 3.007 23.631 22.951 1.030 possible 5438 153 B LEU CG 4 C4H1b 0.770 1.880 2.913 14.544 14.764 0.985 [OK] 5439 153 B LEU CD1 10 C4H3u 0.770 1.880 3.176 37.056 37.425 0.990 possible 5440 153 B LEU CD2 10 C4H3u 0.770 1.880 3.234 35.159 37.143 0.947 possible 5441 154 B VAL N 12 N3H1s 0.700 1.640 2.691 13.369 13.676 0.978 [OK] 5442 154 B VAL CA 3 C4H1s 0.770 1.880 2.509 11.940 13.123 0.910 [OK] 5443 154 B VAL C 1 C3H0s 0.770 1.610 3.022 9.574 8.563 1.118 possible 5444 154 B VAL O 16 O1H0u 0.660 1.420 2.917 19.534 16.181 1.207 [OK] 5445 154 B VAL CB 4 C4H1b 0.770 1.880 2.716 14.247 14.598 0.976 [OK] 5446 154 B VAL CG1 10 C4H3u 0.770 1.880 3.107 34.583 36.584 0.945 possible 5447 154 B VAL CG2 10 C4H3u 0.770 1.880 3.138 40.645 36.332 1.119 possible 5448 155 B SER N 12 N3H1s 0.700 1.640 3.200 14.644 14.103 1.038 possible 5449 155 B SER CA 3 C4H1s 0.770 1.880 2.952 14.183 13.476 1.052 [OK] 5450 155 B SER C 1 C3H0s 0.770 1.610 2.343 9.223 8.923 1.034 [OK] 5451 155 B SER O 16 O1H0u 0.660 1.420 2.611 15.695 16.179 0.970 [OK] 5452 155 B SER CB 8 C4H2s 0.770 1.880 3.507 24.274 23.884 1.016 possible 5453 155 B SER OG 17 O2H1u 0.660 1.460 2.772 21.919 18.732 1.170 [OK] 5454 156 B SER N 12 N3H1s 0.700 1.640 2.349 13.708 14.103 0.972 [OK] 5455 156 B SER CA 3 C4H1s 0.770 1.880 2.670 12.987 13.476 0.964 [OK] 5456 156 B SER C 1 C3H0s 0.770 1.610 2.400 8.597 8.923 0.963 [OK] 5457 156 B SER O 16 O1H0u 0.660 1.420 4.441 26.385 16.179 1.631 possible 5458 156 B SER CB 8 C4H2s 0.770 1.880 2.756 24.014 23.884 1.005 [OK] 5459 156 B SER OG 17 O2H1u 0.660 1.460 2.260 16.726 18.732 0.893 [OK] 5460 157 B GLU N 12 N3H1s 0.700 1.640 2.681 13.782 13.615 1.012 [OK] 5461 157 B GLU CA 3 C4H1s 0.770 1.880 4.929 17.073 13.399 1.274 possible 5462 157 B GLU C 1 C3H0s 0.770 1.610 3.167 11.416 8.675 1.316 possible 5463 157 B GLU O 16 O1H0u 0.660 1.420 28.709 -1.000 16.023 -1.000 bad 5464 157 B GLU CB 8 C4H2s 0.770 1.880 4.834 33.028 23.529 1.404 possible 5465 157 B GLU CG 8 C4H2s 0.770 1.880 5.567 39.816 23.513 1.693 possible 5466 157 B GLU CD 2 C3H0b 0.770 1.610 2.833 9.224 9.460 0.975 [OK] 5467 157 B GLU OE1 16 O1H0u 0.660 1.420 30.359 -1.0