number_ resnum chain resname atname typenum typenam covrad vdwrad surface volume refvol packeff goodbad 1 7 . ARG N 12 N3H1s 0.700 1.640 25.825 -1.000 13.486 -1.000 bad 2 7 . ARG CA 3 C4H1s 0.770 1.880 7.543 44.089 13.310 3.312 possible 3 7 . ARG C 1 C3H0s 0.770 1.610 2.857 9.110 8.779 1.038 [OK] 4 7 . ARG O 16 O1H0u 0.660 1.420 4.394 29.912 15.916 1.879 possible 5 7 . ARG CB 8 C4H2s 0.770 1.880 21.110 -1.000 22.833 -1.000 bad 6 7 . ARG CG 8 C4H2s 0.770 1.880 9.392 -1.000 23.273 -1.000 bad 7 7 . ARG CD 8 C4H2s 0.770 1.880 19.011 -1.000 22.849 -1.000 bad 8 7 . ARG NE 13 N3H1b 0.700 1.640 10.946 -1.000 15.019 -1.000 bad 9 7 . ARG CZ 2 C3H0b 0.770 1.610 4.003 -1.000 9.678 -1.000 bad 10 7 . ARG NH1 15 N3H2u 0.700 1.640 50.961 -1.000 22.056 -1.000 bad 11 7 . ARG NH2 15 N3H2u 0.700 1.640 41.918 -1.000 23.132 -1.000 bad 12 8 . PRO N 11 N3H0u 0.700 1.640 2.806 9.050 8.650 1.046 [OK] 13 8 . PRO CA 4 C4H1b 0.770 1.880 4.234 24.704 13.828 1.786 possible 14 8 . PRO C 1 C3H0s 0.770 1.610 2.434 8.669 8.768 0.989 [OK] 15 8 . PRO O 16 O1H0u 0.660 1.420 3.271 16.993 15.856 1.072 possible 16 8 . PRO CB 9 C4H2b 0.770 1.880 4.596 45.764 25.314 1.808 possible 17 8 . PRO CG 9 C4H2b 0.770 1.880 5.951 70.453 25.480 2.765 possible 18 8 . PRO CD 8 C4H2s 0.770 1.880 8.866 -1.000 23.390 -1.000 bad 19 9 . GLU N 12 N3H1s 0.700 1.640 2.785 17.883 13.461 1.329 [OK] 20 9 . GLU CA 3 C4H1s 0.770 1.880 2.867 12.376 13.284 0.932 [OK] 21 9 . GLU C 1 C3H0s 0.770 1.610 2.660 8.547 8.631 0.990 [OK] 22 9 . GLU O 16 O1H0u 0.660 1.420 2.368 14.453 15.765 0.917 [OK] 23 9 . GLU CB 8 C4H2s 0.770 1.880 4.803 34.547 23.214 1.488 possible 24 9 . GLU CG 8 C4H2s 0.770 1.880 3.021 23.457 23.304 1.007 possible 25 9 . GLU CD 2 C3H0b 0.770 1.610 2.602 9.556 9.437 1.013 [OK] 26 9 . GLU OE1 16 O1H0u 0.660 1.420 4.201 38.574 15.497 2.489 possible 27 9 . GLU OE2 16 O1H0u 0.660 1.420 3.001 24.749 16.213 1.526 possible 28 10 . TRP N 12 N3H1s 0.700 1.640 4.524 20.247 13.639 1.484 possible 29 10 . TRP CA 3 C4H1s 0.770 1.880 3.848 16.273 13.323 1.221 possible 30 10 . TRP C 1 C3H0s 0.770 1.610 2.602 8.497 8.687 0.978 [OK] 31 10 . TRP O 16 O1H0u 0.660 1.420 3.790 18.214 15.797 1.153 possible 32 10 . TRP CB 8 C4H2s 0.770 1.880 5.474 45.103 23.826 1.893 possible 33 10 . TRP CG 2 C3H0b 0.770 1.610 5.768 17.033 9.915 1.718 possible 34 10 . TRP CD1 5 C3H1s 0.770 1.760 4.564 28.815 20.597 1.399 possible 35 10 . TRP CD2 2 C3H0b 0.770 1.610 6.437 19.262 10.068 1.913 possible 36 10 . TRP NE1 13 N3H1b 0.700 1.640 4.245 38.616 16.723 2.309 possible 37 10 . TRP CE2 2 C3H0b 0.770 1.610 4.883 17.083 9.848 1.735 possible 38 10 . TRP CE3 6 C3H1b 0.770 1.760 23.397 -1.000 20.383 -1.000 bad 39 10 . TRP CZ2 6 C3H1b 0.770 1.760 4.922 40.246 20.931 1.923 possible 40 10 . TRP CZ3 6 C3H1b 0.770 1.760 31.907 -1.000 21.429 -1.000 bad 41 10 . TRP CH2 6 C3H1b 0.770 1.760 25.104 -1.000 21.219 -1.000 bad 42 11 . ILE N 12 N3H1s 0.700 1.640 2.610 11.721 13.493 0.869 [OK] 43 11 . ILE CA 3 C4H1s 0.770 1.880 3.575 15.205 12.946 1.174 possible 44 11 . ILE C 1 C3H0s 0.770 1.610 3.014 8.504 8.445 1.007 possible 45 11 . ILE O 16 O1H0u 0.660 1.420 2.903 17.030 15.930 1.069 [OK] 46 11 . ILE CB 4 C4H1b 0.770 1.880 3.919 21.252 14.146 1.502 possible 47 11 . ILE CG1 9 C4H2b 0.770 1.880 3.909 37.863 24.071 1.573 possible 48 11 . ILE CG2 10 C4H3u 0.770 1.880 4.480 60.238 35.763 1.684 possible 49 11 . ILE CD1 10 C4H3u 0.770 1.880 3.511 45.115 38.219 1.180 possible 50 12 . TRP N 12 N3H1s 0.700 1.640 3.048 13.302 13.639 0.975 possible 51 12 . TRP CA 3 C4H1s 0.770 1.880 3.460 17.372 13.323 1.304 possible 52 12 . TRP C 1 C3H0s 0.770 1.610 2.726 8.863 8.687 1.020 [OK] 53 12 . TRP O 16 O1H0u 0.660 1.420 2.752 18.597 15.797 1.177 [OK] 54 12 . TRP CB 8 C4H2s 0.770 1.880 3.436 25.505 23.826 1.070 possible 55 12 . TRP CG 2 C3H0b 0.770 1.610 2.326 9.773 9.915 0.986 [OK] 56 12 . TRP CD1 5 C3H1s 0.770 1.760 2.748 18.344 20.597 0.891 [OK] 57 12 . TRP CD2 2 C3H0b 0.770 1.610 2.324 9.533 10.068 0.947 [OK] 58 12 . TRP NE1 13 N3H1b 0.700 1.640 2.713 19.185 16.723 1.147 [OK] 59 12 . TRP CE2 2 C3H0b 0.770 1.610 2.747 10.538 9.848 1.070 [OK] 60 12 . TRP CE3 6 C3H1b 0.770 1.760 3.573 28.164 20.383 1.382 possible 61 12 . TRP CZ2 6 C3H1b 0.770 1.760 3.949 29.155 20.931 1.393 possible 62 12 . TRP CZ3 6 C3H1b 0.770 1.760 3.756 29.582 21.429 1.380 possible 63 12 . TRP CH2 6 C3H1b 0.770 1.760 3.802 21.386 21.219 1.008 possible 64 13 . LEU N 12 N3H1s 0.700 1.640 2.432 12.784 13.517 0.946 [OK] 65 13 . LEU CA 3 C4H1s 0.770 1.880 2.778 12.817 13.055 0.982 [OK] 66 13 . LEU C 1 C3H0s 0.770 1.610 2.215 8.821 8.781 1.005 [OK] 67 13 . LEU O 16 O1H0u 0.660 1.420 2.504 15.755 15.957 0.987 [OK] 68 13 . LEU CB 8 C4H2s 0.770 1.880 3.134 22.569 22.818 0.989 possible 69 13 . LEU CG 4 C4H1b 0.770 1.880 2.976 15.947 14.704 1.085 [OK] 70 13 . LEU CD1 10 C4H3u 0.770 1.880 3.858 40.048 37.235 1.076 possible 71 13 . LEU CD2 10 C4H3u 0.770 1.880 4.064 43.633 37.020 1.179 possible 72 14 . ALA N 12 N3H1s 0.700 1.640 2.234 12.441 13.872 0.897 [OK] 73 14 . ALA CA 4 C4H1b 0.770 1.880 3.354 13.085 13.959 0.937 possible 74 14 . ALA C 1 C3H0s 0.770 1.610 2.672 9.213 8.858 1.040 [OK] 75 14 . ALA O 16 O1H0u 0.660 1.420 4.800 22.723 16.026 1.418 possible 76 14 . ALA CB 10 C4H3u 0.770 1.880 7.157 85.994 36.551 2.353 possible 77 15 . LEU N 12 N3H1s 0.700 1.640 3.137 14.730 13.517 1.090 possible 78 15 . LEU CA 3 C4H1s 0.770 1.880 3.340 18.028 13.055 1.381 possible 79 15 . LEU C 1 C3H0s 0.770 1.610 2.411 8.536 8.781 0.972 [OK] 80 15 . LEU O 16 O1H0u 0.660 1.420 2.710 17.630 15.957 1.105 [OK] 81 15 . LEU CB 8 C4H2s 0.770 1.880 3.251 20.158 22.818 0.883 possible 82 15 . LEU CG 4 C4H1b 0.770 1.880 3.275 17.967 14.704 1.222 possible 83 15 . LEU CD1 10 C4H3u 0.770 1.880 3.922 53.072 37.235 1.425 possible 84 15 . LEU CD2 10 C4H3u 0.770 1.880 3.725 53.270 37.020 1.439 possible 85 16 . GLY N 12 N3H1s 0.700 1.640 2.532 13.379 14.480 0.924 [OK] 86 16 . GLY CA 8 C4H2s 0.770 1.880 3.268 25.015 23.470 1.066 possible 87 16 . GLY C 2 C3H0b 0.770 1.610 2.441 8.924 9.652 0.925 [OK] 88 16 . GLY O 16 O1H0u 0.660 1.420 2.484 15.829 16.154 0.980 [OK] 89 17 . THR N 12 N3H1s 0.700 1.640 2.242 12.161 13.544 0.898 [OK] 90 17 . THR CA 3 C4H1s 0.770 1.880 2.909 14.625 13.025 1.123 [OK] 91 17 . THR C 1 C3H0s 0.770 1.610 2.876 8.103 8.685 0.933 [OK] 92 17 . THR O 16 O1H0u 0.660 1.420 3.559 18.605 15.795 1.178 possible 93 17 . THR CB 4 C4H1b 0.770 1.880 4.035 16.422 14.687 1.118 possible 94 17 . THR OG1 17 O2H1u 0.660 1.460 2.346 17.740 17.610 1.007 [OK] 95 17 . THR CG2 10 C4H3u 0.770 1.880 14.370 -1.000 36.265 -1.000 bad 96 18 . ALA N 12 N3H1s 0.700 1.640 3.926 15.646 13.872 1.128 possible 97 18 . ALA CA 4 C4H1b 0.770 1.880 7.397 43.953 13.959 3.149 possible 98 18 . ALA C 1 C3H0s 0.770 1.610 2.910 9.250 8.858 1.044 [OK] 99 18 . ALA O 16 O1H0u 0.660 1.420 4.508 27.368 16.026 1.708 possible 100 18 . ALA CB 10 C4H3u 0.770 1.880 6.554 74.109 36.551 2.028 possible 101 19 . LEU N 12 N3H1s 0.700 1.640 2.891 14.054 13.517 1.040 [OK] 102 19 . LEU CA 3 C4H1s 0.770 1.880 3.213 15.455 13.055 1.184 possible 103 19 . LEU C 1 C3H0s 0.770 1.610 2.681 8.581 8.781 0.977 [OK] 104 19 . LEU O 16 O1H0u 0.660 1.420 2.935 17.973 15.957 1.126 [OK] 105 19 . LEU CB 8 C4H2s 0.770 1.880 2.873 20.286 22.818 0.889 [OK] 106 19 . LEU CG 4 C4H1b 0.770 1.880 3.790 18.968 14.704 1.290 possible 107 19 . LEU CD1 10 C4H3u 0.770 1.880 4.276 60.182 37.235 1.616 possible 108 19 . LEU CD2 10 C4H3u 0.770 1.880 3.595 44.134 37.020 1.192 possible 109 20 . MET N 12 N3H1s 0.700 1.640 2.740 12.736 13.405 0.950 [OK] 110 20 . MET CA 3 C4H1s 0.770 1.880 3.548 16.899 13.194 1.281 possible 111 20 . MET C 1 C3H0s 0.770 1.610 2.644 8.749 8.756 0.999 [OK] 112 20 . MET O 16 O1H0u 0.660 1.420 2.916 16.538 16.002 1.033 [OK] 113 20 . MET CB 8 C4H2s 0.770 1.880 3.270 27.286 23.418 1.165 possible 114 20 . MET CG 9 C4H2b 0.770 1.880 3.641 26.974 23.830 1.132 possible 115 20 . MET SD 19 S2H0u 1.040 1.770 3.294 27.960 30.207 0.926 possible 116 20 . MET CE 10 C4H3u 0.770 1.880 3.343 34.465 37.003 0.931 possible 117 21 . GLY N 12 N3H1s 0.700 1.640 2.521 13.449 14.480 0.929 [OK] 118 21 . GLY CA 8 C4H2s 0.770 1.880 4.499 35.552 23.470 1.515 possible 119 21 . GLY C 2 C3H0b 0.770 1.610 3.342 9.586 9.652 0.993 possible 120 21 . GLY O 16 O1H0u 0.660 1.420 3.305 14.507 16.154 0.898 possible 121 22 . LEU N 12 N3H1s 0.700 1.640 3.728 15.569 13.517 1.152 possible 122 22 . LEU CA 3 C4H1s 0.770 1.880 3.547 15.786 13.055 1.209 possible 123 22 . LEU C 1 C3H0s 0.770 1.610 2.470 8.027 8.781 0.914 [OK] 124 22 . LEU O 16 O1H0u 0.660 1.420 2.850 16.705 15.957 1.047 [OK] 125 22 . LEU CB 8 C4H2s 0.770 1.880 3.958 23.705 22.818 1.039 possible 126 22 . LEU CG 4 C4H1b 0.770 1.880 3.251 16.881 14.704 1.148 possible 127 22 . LEU CD1 10 C4H3u 0.770 1.880 4.906 67.153 37.235 1.803 possible 128 22 . LEU CD2 10 C4H3u 0.770 1.880 5.805 95.468 37.020 2.579 possible 129 23 . GLY N 12 N3H1s 0.700 1.640 3.090 13.768 14.480 0.951 possible 130 23 . GLY CA 8 C4H2s 0.770 1.880 4.165 33.963 23.470 1.447 possible 131 23 . GLY C 2 C3H0b 0.770 1.610 3.047 10.019 9.652 1.038 possible 132 23 . GLY O 16 O1H0u 0.660 1.420 3.250 21.389 16.154 1.324 possible 133 24 . THR N 12 N3H1s 0.700 1.640 2.522 12.288 13.544 0.907 [OK] 134 24 . THR CA 3 C4H1s 0.770 1.880 3.017 15.193 13.025 1.166 possible 135 24 . THR C 1 C3H0s 0.770 1.610 2.860 8.340 8.685 0.960 [OK] 136 24 . THR O 16 O1H0u 0.660 1.420 2.906 17.970 15.795 1.138 [OK] 137 24 . THR CB 4 C4H1b 0.770 1.880 3.846 15.594 14.687 1.062 possible 138 24 . THR OG1 17 O2H1u 0.660 1.460 2.964 18.642 17.610 1.059 [OK] 139 24 . THR CG2 10 C4H3u 0.770 1.880 4.296 54.786 36.265 1.511 possible 140 25 . LEU N 12 N3H1s 0.700 1.640 2.926 12.715 13.517 0.941 [OK] 141 25 . LEU CA 3 C4H1s 0.770 1.880 3.443 17.602 13.055 1.348 possible 142 25 . LEU C 1 C3H0s 0.770 1.610 3.082 9.891 8.781 1.126 possible 143 25 . LEU O 16 O1H0u 0.660 1.420 2.810 16.051 15.957 1.006 [OK] 144 25 . LEU CB 8 C4H2s 0.770 1.880 3.862 34.011 22.818 1.491 possible 145 25 . LEU CG 4 C4H1b 0.770 1.880 3.649 14.127 14.704 0.961 possible 146 25 . LEU CD1 10 C4H3u 0.770 1.880 35.238 -1.000 37.235 -1.000 bad 147 25 . LEU CD2 10 C4H3u 0.770 1.880 39.341 -1.000 37.020 -1.000 bad 148 26 . TYR N 12 N3H1s 0.700 1.640 3.191 16.439 13.473 1.220 possible 149 26 . TYR CA 3 C4H1s 0.770 1.880 3.371 18.760 13.249 1.416 possible 150 26 . TYR C 1 C3H0s 0.770 1.610 2.207 7.499 8.714 0.861 [OK] 151 26 . TYR O 16 O1H0u 0.660 1.420 2.891 16.140 15.901 1.015 [OK] 152 26 . TYR CB 8 C4H2s 0.770 1.880 3.608 28.555 23.426 1.219 possible 153 26 . TYR CG 2 C3H0b 0.770 1.610 4.201 12.745 9.695 1.315 possible 154 26 . TYR CD1 5 C3H1s 0.770 1.760 5.009 36.085 20.057 1.799 possible 155 26 . TYR CD2 5 C3H1s 0.770 1.760 4.486 33.584 20.578 1.632 possible 156 26 . TYR CE1 5 C3H1s 0.770 1.760 17.864 -1.000 20.534 -1.000 bad 157 26 . TYR CE2 5 C3H1s 0.770 1.760 4.621 28.578 20.577 1.389 possible 158 26 . TYR CZ 2 C3H0b 0.770 1.610 5.615 16.106 9.888 1.629 possible 159 26 . TYR OH 17 O2H1u 0.660 1.460 21.945 -1.000 18.541 -1.000 bad 160 27 . PHE N 12 N3H1s 0.700 1.640 2.657 12.835 13.524 0.949 [OK] 161 27 . PHE CA 3 C4H1s 0.770 1.880 2.900 13.814 13.371 1.033 [OK] 162 27 . PHE C 1 C3H0s 0.770 1.610 2.440 8.819 8.697 1.014 [OK] 163 27 . PHE O 16 O1H0u 0.660 1.420 2.941 17.350 15.961 1.087 [OK] 164 27 . PHE CB 8 C4H2s 0.770 1.880 3.192 25.939 23.623 1.098 possible 165 27 . PHE CG 2 C3H0b 0.770 1.610 2.810 11.309 9.684 1.168 [OK] 166 27 . PHE CD1 5 C3H1s 0.770 1.760 2.873 19.272 20.325 0.948 [OK] 167 27 . PHE CD2 6 C3H1b 0.770 1.760 3.635 37.655 20.948 1.798 possible 168 27 . PHE CE1 6 C3H1b 0.770 1.760 3.115 19.370 21.532 0.900 possible 169 27 . PHE CE2 6 C3H1b 0.770 1.760 3.108 24.086 21.625 1.114 possible 170 27 . PHE CZ 6 C3H1b 0.770 1.760 3.513 26.363 21.555 1.223 possible 171 28 . LEU N 12 N3H1s 0.700 1.640 2.467 12.228 13.517 0.905 [OK] 172 28 . LEU CA 3 C4H1s 0.770 1.880 3.441 17.393 13.055 1.332 possible 173 28 . LEU C 1 C3H0s 0.770 1.610 2.247 7.765 8.781 0.884 [OK] 174 28 . LEU O 16 O1H0u 0.660 1.420 2.873 18.443 15.957 1.156 [OK] 175 28 . LEU CB 8 C4H2s 0.770 1.880 3.285 25.391 22.818 1.113 possible 176 28 . LEU CG 4 C4H1b 0.770 1.880 4.177 17.510 14.704 1.191 possible 177 28 . LEU CD1 10 C4H3u 0.770 1.880 13.179 -1.000 37.235 -1.000 bad 178 28 . LEU CD2 10 C4H3u 0.770 1.880 4.853 54.421 37.020 1.470 possible 179 29 . VAL N 12 N3H1s 0.700 1.640 2.546 12.641 13.553 0.933 [OK] 180 29 . VAL CA 3 C4H1s 0.770 1.880 4.214 19.141 13.078 1.464 possible 181 29 . VAL C 1 C3H0s 0.770 1.610 2.689 8.187 8.528 0.960 [OK] 182 29 . VAL O 16 O1H0u 0.660 1.420 4.291 36.673 15.998 2.292 possible 183 29 . VAL CB 4 C4H1b 0.770 1.880 3.222 15.303 14.514 1.054 possible 184 29 . VAL CG1 10 C4H3u 0.770 1.880 4.427 47.063 36.320 1.296 possible 185 29 . VAL CG2 10 C4H3u 0.770 1.880 4.183 52.592 36.173 1.454 possible 186 30 . LYS N 12 N3H1s 0.700 1.640 3.166 14.626 13.429 1.089 possible 187 30 . LYS CA 3 C4H1s 0.770 1.880 3.813 17.191 13.217 1.301 possible 188 30 . LYS C 1 C3H0s 0.770 1.610 2.802 8.484 8.696 0.976 [OK] 189 30 . LYS O 16 O1H0u 0.660 1.420 5.535 48.429 15.818 3.062 possible 190 30 . LYS CB 8 C4H2s 0.770 1.880 3.363 26.372 22.578 1.168 possible 191 30 . LYS CG 8 C4H2s 0.770 1.880 3.839 29.487 22.847 1.291 possible 192 30 . LYS CD 8 C4H2s 0.770 1.880 4.375 29.186 23.365 1.249 possible 193 30 . LYS CE 9 C4H2b 0.770 1.880 24.136 -1.000 23.720 -1.000 bad 194 30 . LYS NZ 14 N4H3u 0.700 1.640 43.113 -1.000 21.413 -1.000 bad 195 31 . GLY N 12 N3H1s 0.700 1.640 3.046 15.116 14.480 1.044 possible 196 31 . GLY CA 8 C4H2s 0.770 1.880 3.510 23.628 23.470 1.007 possible 197 31 . GLY C 2 C3H0b 0.770 1.610 2.647 9.857 9.652 1.021 [OK] 198 31 . GLY O 16 O1H0u 0.660 1.420 3.212 17.904 16.154 1.108 possible 199 32 . MET N 12 N3H1s 0.700 1.640 3.244 18.145 13.405 1.354 possible 200 32 . MET CA 3 C4H1s 0.770 1.880 2.745 12.447 13.194 0.943 [OK] 201 32 . MET C 1 C3H0s 0.770 1.610 2.575 8.238 8.756 0.941 [OK] 202 32 . MET O 16 O1H0u 0.660 1.420 2.560 16.928 16.002 1.058 [OK] 203 32 . MET CB 8 C4H2s 0.770 1.880 4.623 25.349 23.418 1.082 possible 204 32 . MET CG 9 C4H2b 0.770 1.880 4.629 28.801 23.830 1.209 possible 205 32 . MET SD 19 S2H0u 1.040 1.770 4.915 61.622 30.207 2.040 possible 206 32 . MET CE 10 C4H3u 0.770 1.880 27.160 -1.000 37.003 -1.000 bad 207 33 . GLY N 12 N3H1s 0.700 1.640 5.326 27.591 14.480 1.905 possible 208 33 . GLY CA 8 C4H2s 0.770 1.880 36.653 -1.000 23.470 -1.000 bad 209 33 . GLY C 2 C3H0b 0.770 1.610 4.008 12.561 9.652 1.301 possible 210 33 . GLY O 16 O1H0u 0.660 1.420 4.419 33.497 16.154 2.074 possible 211 34 . VAL N 12 N3H1s 0.700 1.640 3.985 21.938 13.553 1.619 possible 212 34 . VAL CA 3 C4H1s 0.770 1.880 4.467 19.003 13.078 1.453 possible 213 34 . VAL C 1 C3H0s 0.770 1.610 4.986 12.345 8.528 1.448 possible 214 34 . VAL O 16 O1H0u 0.660 1.420 7.431 51.208 15.998 3.201 possible 215 34 . VAL CB 4 C4H1b 0.770 1.880 11.592 -1.000 14.514 -1.000 bad 216 34 . VAL CG1 10 C4H3u 0.770 1.880 51.002 -1.000 36.320 -1.000 bad 217 34 . VAL CG2 10 C4H3u 0.770 1.880 53.825 -1.000 36.173 -1.000 bad 218 35 . SER N 12 N3H1s 0.700 1.640 5.116 27.521 13.808 1.993 possible 219 35 . SER CA 3 C4H1s 0.770 1.880 4.621 18.590 13.351 1.392 possible 220 35 . SER C 1 C3H0s 0.770 1.610 3.057 9.149 8.858 1.033 possible 221 35 . SER O 16 O1H0u 0.660 1.420 3.240 22.358 15.860 1.410 possible 222 35 . SER CB 8 C4H2s 0.770 1.880 2.866 18.982 23.599 0.804 [OK] 223 35 . SER OG 17 O2H1u 0.660 1.460 2.565 20.260 18.021 1.124 [OK] 224 36 . ASP N 12 N3H1s 0.700 1.640 4.536 17.527 13.654 1.284 possible 225 36 . ASP CA 3 C4H1s 0.770 1.880 3.397 14.379 13.254 1.085 possible 226 36 . ASP C 1 C3H0s 0.770 1.610 4.757 10.709 8.750 1.224 possible 227 36 . ASP O 16 O1H0u 0.660 1.420 19.104 -1.000 15.757 -1.000 bad 228 36 . ASP CB 8 C4H2s 0.770 1.880 21.960 -1.000 23.022 -1.000 bad 229 36 . ASP CG 2 C3H0b 0.770 1.610 3.217 -1.000 9.336 -1.000 bad 230 36 . ASP OD1 16 O1H0u 0.660 1.420 20.986 -1.000 15.078 -1.000 bad 231 36 . ASP OD2 16 O1H0u 0.660 1.420 38.281 -1.000 15.582 -1.000 bad 232 37 . PRO N 11 N3H0u 0.700 1.640 4.019 9.933 8.650 1.148 possible 233 37 . PRO CA 4 C4H1b 0.770 1.880 13.411 -1.000 13.828 -1.000 bad 234 37 . PRO C 1 C3H0s 0.770 1.610 4.707 13.730 8.768 1.566 possible 235 37 . PRO O 16 O1H0u 0.660 1.420 3.955 17.464 15.856 1.101 possible 236 37 . PRO CB 9 C4H2b 0.770 1.880 32.697 -1.000 25.314 -1.000 bad 237 37 . PRO CG 9 C4H2b 0.770 1.880 33.561 -1.000 25.480 -1.000 bad 238 37 . PRO CD 8 C4H2s 0.770 1.880 11.542 -1.000 23.390 -1.000 bad 239 38 . ASP N 12 N3H1s 0.700 1.640 3.993 16.833 13.654 1.233 possible 240 38 . ASP CA 3 C4H1s 0.770 1.880 3.168 14.767 13.254 1.114 possible 241 38 . ASP C 1 C3H0s 0.770 1.610 2.459 8.462 8.750 0.967 [OK] 242 38 . ASP O 16 O1H0u 0.660 1.420 2.237 12.841 15.757 0.815 [OK] 243 38 . ASP CB 8 C4H2s 0.770 1.880 6.040 41.462 23.022 1.801 possible 244 38 . ASP CG 2 C3H0b 0.770 1.610 3.464 13.049 9.336 1.398 possible 245 38 . ASP OD1 16 O1H0u 0.660 1.420 28.237 -1.000 15.078 -1.000 bad 246 38 . ASP OD2 16 O1H0u 0.660 1.420 36.138 -1.000 15.582 -1.000 bad 247 39 . ALA N 12 N3H1s 0.700 1.640 4.101 20.229 13.872 1.458 possible 248 39 . ALA CA 4 C4H1b 0.770 1.880 2.663 12.716 13.959 0.911 [OK] 249 39 . ALA C 1 C3H0s 0.770 1.610 2.187 8.091 8.858 0.913 [OK] 250 39 . ALA O 16 O1H0u 0.660 1.420 2.576 15.355 16.026 0.958 [OK] 251 39 . ALA CB 10 C4H3u 0.770 1.880 18.767 -1.000 36.551 -1.000 bad 252 40 . LYS N 12 N3H1s 0.700 1.640 2.585 12.809 13.429 0.954 [OK] 253 40 . LYS CA 3 C4H1s 0.770 1.880 2.777 13.163 13.217 0.996 [OK] 254 40 . LYS C 1 C3H0s 0.770 1.610 3.403 8.852 8.696 1.018 possible 255 40 . LYS O 16 O1H0u 0.660 1.420 3.751 16.118 15.818 1.019 possible 256 40 . LYS CB 8 C4H2s 0.770 1.880 3.626 20.250 22.578 0.897 possible 257 40 . LYS CG 8 C4H2s 0.770 1.880 6.020 32.846 22.847 1.438 possible 258 40 . LYS CD 8 C4H2s 0.770 1.880 5.126 29.775 23.365 1.274 possible 259 40 . LYS CE 9 C4H2b 0.770 1.880 19.583 -1.000 23.720 -1.000 bad 260 40 . LYS NZ 14 N4H3u 0.700 1.640 36.246 -1.000 21.413 -1.000 bad 261 41 . LYS N 12 N3H1s 0.700 1.640 4.157 14.693 13.429 1.094 possible 262 41 . LYS CA 3 C4H1s 0.770 1.880 9.151 -1.000 13.217 -1.000 bad 263 41 . LYS C 1 C3H0s 0.770 1.610 2.659 8.033 8.696 0.924 [OK] 264 41 . LYS O 16 O1H0u 0.660 1.420 3.280 15.600 15.818 0.986 possible 265 41 . LYS CB 8 C4H2s 0.770 1.880 6.810 50.511 22.578 2.237 possible 266 41 . LYS CG 8 C4H2s 0.770 1.880 5.864 47.181 22.847 2.065 possible 267 41 . LYS CD 8 C4H2s 0.770 1.880 6.188 57.983 23.365 2.482 possible 268 41 . LYS CE 9 C4H2b 0.770 1.880 3.168 23.841 23.720 1.005 possible 269 41 . LYS NZ 14 N4H3u 0.700 1.640 4.700 47.291 21.413 2.209 possible 270 42 . PHE N 12 N3H1s 0.700 1.640 2.714 12.454 13.524 0.921 [OK] 271 42 . PHE CA 3 C4H1s 0.770 1.880 3.038 13.840 13.371 1.035 possible 272 42 . PHE C 1 C3H0s 0.770 1.610 3.208 9.167 8.697 1.054 possible 273 42 . PHE O 16 O1H0u 0.660 1.420 2.584 14.493 15.961 0.908 [OK] 274 42 . PHE CB 8 C4H2s 0.770 1.880 3.627 27.457 23.623 1.162 possible 275 42 . PHE CG 2 C3H0b 0.770 1.610 3.465 11.495 9.684 1.187 possible 276 42 . PHE CD1 5 C3H1s 0.770 1.760 3.434 20.478 20.325 1.008 possible 277 42 . PHE CD2 6 C3H1b 0.770 1.760 3.632 19.140 20.948 0.914 possible 278 42 . PHE CE1 6 C3H1b 0.770 1.760 3.222 22.682 21.532 1.053 possible 279 42 . PHE CE2 6 C3H1b 0.770 1.760 4.568 28.313 21.625 1.309 possible 280 42 . PHE CZ 6 C3H1b 0.770 1.760 4.158 20.498 21.555 0.951 possible 281 43 . TYR N 12 N3H1s 0.700 1.640 3.220 14.295 13.473 1.061 possible 282 43 . TYR CA 3 C4H1s 0.770 1.880 2.888 12.864 13.249 0.971 [OK] 283 43 . TYR C 1 C3H0s 0.770 1.610 2.937 8.987 8.714 1.031 [OK] 284 43 . TYR O 16 O1H0u 0.660 1.420 2.661 14.530 15.901 0.914 [OK] 285 43 . TYR CB 8 C4H2s 0.770 1.880 3.484 25.147 23.426 1.073 possible 286 43 . TYR CG 2 C3H0b 0.770 1.610 2.651 9.916 9.695 1.023 [OK] 287 43 . TYR CD1 5 C3H1s 0.770 1.760 3.504 20.818 20.057 1.038 possible 288 43 . TYR CD2 5 C3H1s 0.770 1.760 2.858 19.086 20.578 0.928 [OK] 289 43 . TYR CE1 5 C3H1s 0.770 1.760 3.422 28.565 20.534 1.391 possible 290 43 . TYR CE2 5 C3H1s 0.770 1.760 3.326 25.152 20.577 1.222 possible 291 43 . TYR CZ 2 C3H0b 0.770 1.610 2.599 10.326 9.888 1.044 [OK] 292 43 . TYR OH 17 O2H1u 0.660 1.460 5.147 57.866 18.541 3.121 possible 293 44 . ALA N 12 N3H1s 0.700 1.640 2.565 12.852 13.872 0.926 [OK] 294 44 . ALA CA 4 C4H1b 0.770 1.880 3.114 14.696 13.959 1.053 possible 295 44 . ALA C 1 C3H0s 0.770 1.610 3.258 9.295 8.858 1.049 possible 296 44 . ALA O 16 O1H0u 0.660 1.420 2.735 17.807 16.026 1.111 [OK] 297 44 . ALA CB 10 C4H3u 0.770 1.880 27.040 -1.000 36.551 -1.000 bad 298 45 . ILE N 12 N3H1s 0.700 1.640 3.539 14.081 13.493 1.044 possible 299 45 . ILE CA 3 C4H1s 0.770 1.880 3.766 17.909 12.946 1.383 possible 300 45 . ILE C 1 C3H0s 0.770 1.610 2.708 7.866 8.445 0.931 [OK] 301 45 . ILE O 16 O1H0u 0.660 1.420 2.928 18.115 15.930 1.137 [OK] 302 45 . ILE CB 4 C4H1b 0.770 1.880 2.793 13.903 14.146 0.983 [OK] 303 45 . ILE CG1 9 C4H2b 0.770 1.880 6.036 53.420 24.071 2.219 possible 304 45 . ILE CG2 10 C4H3u 0.770 1.880 3.454 34.932 35.763 0.977 possible 305 45 . ILE CD1 10 C4H3u 0.770 1.880 5.166 46.010 38.219 1.204 possible 306 46 . THR N 12 N3H1s 0.700 1.640 2.823 13.296 13.544 0.982 [OK] 307 46 . THR CA 3 C4H1s 0.770 1.880 3.424 14.965 13.025 1.149 possible 308 46 . THR C 1 C3H0s 0.770 1.610 2.386 9.158 8.685 1.054 [OK] 309 46 . THR O 16 O1H0u 0.660 1.420 3.082 21.838 15.795 1.383 possible 310 46 . THR CB 4 C4H1b 0.770 1.880 3.085 14.417 14.687 0.982 possible 311 46 . THR OG1 17 O2H1u 0.660 1.460 3.062 24.229 17.610 1.376 possible 312 46 . THR CG2 10 C4H3u 0.770 1.880 3.661 34.655 36.265 0.956 possible 313 47 . THR N 12 N3H1s 0.700 1.640 2.358 11.871 13.544 0.876 [OK] 314 47 . THR CA 3 C4H1s 0.770 1.880 2.995 13.700 13.025 1.052 [OK] 315 47 . THR C 1 C3H0s 0.770 1.610 2.563 8.423 8.685 0.970 [OK] 316 47 . THR O 16 O1H0u 0.660 1.420 2.564 15.637 15.795 0.990 [OK] 317 47 . THR CB 4 C4H1b 0.770 1.880 2.920 15.692 14.687 1.068 [OK] 318 47 . THR OG1 17 O2H1u 0.660 1.460 2.978 22.800 17.610 1.295 [OK] 319 47 . THR CG2 10 C4H3u 0.770 1.880 3.272 40.118 36.265 1.106 possible 320 48 . LEU N 12 N3H1s 0.700 1.640 2.858 14.328 13.517 1.060 [OK] 321 48 . LEU CA 3 C4H1s 0.770 1.880 2.991 15.489 13.055 1.186 [OK] 322 48 . LEU C 1 C3H0s 0.770 1.610 2.332 8.365 8.781 0.953 [OK] 323 48 . LEU O 16 O1H0u 0.660 1.420 2.821 12.979 15.957 0.813 [OK] 324 48 . LEU CB 8 C4H2s 0.770 1.880 3.300 22.821 22.818 1.000 possible 325 48 . LEU CG 4 C4H1b 0.770 1.880 5.736 26.847 14.704 1.826 possible 326 48 . LEU CD1 10 C4H3u 0.770 1.880 44.803 -1.000 37.235 -1.000 bad 327 48 . LEU CD2 10 C4H3u 0.770 1.880 25.907 -1.000 37.020 -1.000 bad 328 49 . VAL N 12 N3H1s 0.700 1.640 2.462 13.766 13.553 1.016 [OK] 329 49 . VAL CA 3 C4H1s 0.770 1.880 3.101 14.916 13.078 1.141 possible 330 49 . VAL C 1 C3H0s 0.770 1.610 2.229 8.217 8.528 0.964 [OK] 331 49 . VAL O 16 O1H0u 0.660 1.420 2.618 15.234 15.998 0.952 [OK] 332 49 . VAL CB 4 C4H1b 0.770 1.880 3.693 14.047 14.514 0.968 possible 333 49 . VAL CG1 10 C4H3u 0.770 1.880 3.092 29.951 36.320 0.825 possible 334 49 . VAL CG2 10 C4H3u 0.770 1.880 3.448 38.983 36.173 1.078 possible 335 50 . PRO N 11 N3H0u 0.700 1.640 2.566 8.608 8.650 0.995 [OK] 336 50 . PRO CA 4 C4H1b 0.770 1.880 3.508 18.525 13.828 1.340 possible 337 50 . PRO C 1 C3H0s 0.770 1.610 2.143 7.746 8.768 0.883 [OK] 338 50 . PRO O 16 O1H0u 0.660 1.420 2.565 15.718 15.856 0.991 [OK] 339 50 . PRO CB 9 C4H2b 0.770 1.880 3.641 32.788 25.314 1.295 possible 340 50 . PRO CG 9 C4H2b 0.770 1.880 3.771 35.044 25.480 1.375 possible 341 50 . PRO CD 8 C4H2s 0.770 1.880 3.549 23.688 23.390 1.013 possible 342 51 . ALA N 12 N3H1s 0.700 1.640 2.383 12.513 13.872 0.902 [OK] 343 51 . ALA CA 4 C4H1b 0.770 1.880 3.531 15.905 13.959 1.139 possible 344 51 . ALA C 1 C3H0s 0.770 1.610 3.114 9.330 8.858 1.053 possible 345 51 . ALA O 16 O1H0u 0.660 1.420 2.959 15.496 16.026 0.967 [OK] 346 51 . ALA CB 10 C4H3u 0.770 1.880 4.436 44.027 36.551 1.205 possible 347 52 . ILE N 12 N3H1s 0.700 1.640 3.893 13.640 13.493 1.011 possible 348 52 . ILE CA 3 C4H1s 0.770 1.880 4.156 17.365 12.946 1.341 possible 349 52 . ILE C 1 C3H0s 0.770 1.610 2.705 7.902 8.445 0.936 [OK] 350 52 . ILE O 16 O1H0u 0.660 1.420 3.226 16.870 15.930 1.059 possible 351 52 . ILE CB 4 C4H1b 0.770 1.880 3.073 14.503 14.146 1.025 possible 352 52 . ILE CG1 9 C4H2b 0.770 1.880 16.547 -1.000 24.071 -1.000 bad 353 52 . ILE CG2 10 C4H3u 0.770 1.880 6.430 72.059 35.763 2.015 possible 354 52 . ILE CD1 10 C4H3u 0.770 1.880 5.213 46.842 38.219 1.226 possible 355 53 . ALA N 12 N3H1s 0.700 1.640 2.728 13.672 13.872 0.986 [OK] 356 53 . ALA CA 4 C4H1b 0.770 1.880 2.818 13.658 13.959 0.978 [OK] 357 53 . ALA C 1 C3H0s 0.770 1.610 2.321 8.351 8.858 0.943 [OK] 358 53 . ALA O 16 O1H0u 0.660 1.420 2.522 15.073 16.026 0.941 [OK] 359 53 . ALA CB 10 C4H3u 0.770 1.880 3.356 31.862 36.551 0.872 possible 360 54 . PHE N 12 N3H1s 0.700 1.640 2.452 12.499 13.524 0.924 [OK] 361 54 . PHE CA 3 C4H1s 0.770 1.880 2.914 15.376 13.371 1.150 [OK] 362 54 . PHE C 1 C3H0s 0.770 1.610 2.195 7.735 8.697 0.889 [OK] 363 54 . PHE O 16 O1H0u 0.660 1.420 2.366 15.059 15.961 0.944 [OK] 364 54 . PHE CB 8 C4H2s 0.770 1.880 3.130 24.495 23.623 1.037 possible 365 54 . PHE CG 2 C3H0b 0.770 1.610 3.205 10.460 9.684 1.080 possible 366 54 . PHE CD1 5 C3H1s 0.770 1.760 3.278 18.951 20.325 0.932 possible 367 54 . PHE CD2 6 C3H1b 0.770 1.760 4.159 33.833 20.948 1.615 possible 368 54 . PHE CE1 6 C3H1b 0.770 1.760 11.854 -1.000 21.532 -1.000 bad 369 54 . PHE CE2 6 C3H1b 0.770 1.760 23.246 -1.000 21.625 -1.000 bad 370 54 . PHE CZ 6 C3H1b 0.770 1.760 19.844 -1.000 21.555 -1.000 bad 371 55 . THR N 12 N3H1s 0.700 1.640 2.285 11.472 13.544 0.847 [OK] 372 55 . THR CA 3 C4H1s 0.770 1.880 3.165 15.641 13.025 1.201 possible 373 55 . THR C 1 C3H0s 0.770 1.610 2.916 8.696 8.685 1.001 [OK] 374 55 . THR O 16 O1H0u 0.660 1.420 3.629 16.800 15.795 1.064 possible 375 55 . THR CB 4 C4H1b 0.770 1.880 5.354 24.036 14.687 1.637 possible 376 55 . THR OG1 17 O2H1u 0.660 1.460 6.302 45.692 17.610 2.595 possible 377 55 . THR CG2 10 C4H3u 0.770 1.880 61.954 -1.000 36.265 -1.000 bad 378 56 . MET N 12 N3H1s 0.700 1.640 3.048 14.526 13.405 1.084 possible 379 56 . MET CA 3 C4H1s 0.770 1.880 2.630 11.475 13.194 0.870 [OK] 380 56 . MET C 1 C3H0s 0.770 1.610 2.768 8.773 8.756 1.002 [OK] 381 56 . MET O 16 O1H0u 0.660 1.420 2.569 14.410 16.002 0.900 [OK] 382 56 . MET CB 8 C4H2s 0.770 1.880 3.265 28.318 23.418 1.209 possible 383 56 . MET CG 9 C4H2b 0.770 1.880 3.263 23.326 23.830 0.979 possible 384 56 . MET SD 19 S2H0u 1.040 1.770 7.307 76.402 30.207 2.529 possible 385 56 . MET CE 10 C4H3u 0.770 1.880 6.226 64.299 37.003 1.738 possible 386 57 . TYR N 12 N3H1s 0.700 1.640 2.818 12.556 13.473 0.932 [OK] 387 57 . TYR CA 3 C4H1s 0.770 1.880 2.790 13.073 13.249 0.987 [OK] 388 57 . TYR C 1 C3H0s 0.770 1.610 2.188 8.257 8.714 0.948 [OK] 389 57 . TYR O 16 O1H0u 0.660 1.420 2.419 16.106 15.901 1.013 [OK] 390 57 . TYR CB 8 C4H2s 0.770 1.880 2.909 22.863 23.426 0.976 [OK] 391 57 . TYR CG 2 C3H0b 0.770 1.610 2.607 10.408 9.695 1.074 [OK] 392 57 . TYR CD1 5 C3H1s 0.770 1.760 3.138 19.704 20.057 0.982 possible 393 57 . TYR CD2 5 C3H1s 0.770 1.760 2.828 20.334 20.578 0.988 [OK] 394 57 . TYR CE1 5 C3H1s 0.770 1.760 3.141 21.259 20.534 1.035 possible 395 57 . TYR CE2 5 C3H1s 0.770 1.760 3.086 20.758 20.577 1.009 possible 396 57 . TYR CZ 2 C3H0b 0.770 1.610 3.011 10.787 9.888 1.091 possible 397 57 . TYR OH 17 O2H1u 0.660 1.460 3.301 21.878 18.541 1.180 possible 398 58 . LEU N 12 N3H1s 0.700 1.640 2.439 12.065 13.517 0.893 [OK] 399 58 . LEU CA 3 C4H1s 0.770 1.880 2.738 13.545 13.055 1.038 [OK] 400 58 . LEU C 1 C3H0s 0.770 1.610 3.328 9.090 8.781 1.035 possible 401 58 . LEU O 16 O1H0u 0.660 1.420 3.104 15.699 15.957 0.984 possible 402 58 . LEU CB 8 C4H2s 0.770 1.880 3.491 24.310 22.818 1.065 possible 403 58 . LEU CG 4 C4H1b 0.770 1.880 6.268 28.299 14.704 1.925 possible 404 58 . LEU CD1 10 C4H3u 0.770 1.880 15.443 -1.000 37.235 -1.000 bad 405 58 . LEU CD2 10 C4H3u 0.770 1.880 40.491 -1.000 37.020 -1.000 bad 406 59 . SER N 12 N3H1s 0.700 1.640 3.865 14.105 13.808 1.022 possible 407 59 . SER CA 3 C4H1s 0.770 1.880 5.350 26.612 13.351 1.993 possible 408 59 . SER C 1 C3H0s 0.770 1.610 2.682 8.890 8.858 1.004 [OK] 409 59 . SER O 16 O1H0u 0.660 1.420 3.122 22.745 15.860 1.434 possible 410 59 . SER CB 8 C4H2s 0.770 1.880 4.073 30.116 23.599 1.276 possible 411 59 . SER OG 17 O2H1u 0.660 1.460 6.406 60.022 18.021 3.331 possible 412 60 . MET N 12 N3H1s 0.700 1.640 2.621 12.192 13.405 0.909 [OK] 413 60 . MET CA 3 C4H1s 0.770 1.880 3.188 16.164 13.194 1.225 possible 414 60 . MET C 1 C3H0s 0.770 1.610 2.122 8.727 8.756 0.997 [OK] 415 60 . MET O 16 O1H0u 0.660 1.420 3.941 29.294 16.002 1.831 possible 416 60 . MET CB 8 C4H2s 0.770 1.880 2.892 20.253 23.418 0.865 [OK] 417 60 . MET CG 9 C4H2b 0.770 1.880 2.881 21.645 23.830 0.908 [OK] 418 60 . MET SD 19 S2H0u 1.040 1.770 3.313 28.175 30.207 0.933 possible 419 60 . MET CE 10 C4H3u 0.770 1.880 3.827 47.092 37.003 1.273 possible 420 61 . LEU N 12 N3H1s 0.700 1.640 2.389 12.670 13.517 0.937 [OK] 421 61 . LEU CA 3 C4H1s 0.770 1.880 3.355 14.685 13.055 1.125 possible 422 61 . LEU C 1 C3H0s 0.770 1.610 2.286 8.447 8.781 0.962 [OK] 423 61 . LEU O 16 O1H0u 0.660 1.420 5.886 64.182 15.957 4.022 possible 424 61 . LEU CB 8 C4H2s 0.770 1.880 2.765 21.514 22.818 0.943 [OK] 425 61 . LEU CG 4 C4H1b 0.770 1.880 5.161 17.377 14.704 1.182 possible 426 61 . LEU CD1 10 C4H3u 0.770 1.880 7.944 62.786 37.235 1.686 possible 427 61 . LEU CD2 10 C4H3u 0.770 1.880 15.641 -1.000 37.020 -1.000 bad 428 62 . LEU N 12 N3H1s 0.700 1.640 2.391 11.826 13.517 0.875 [OK] 429 62 . LEU CA 3 C4H1s 0.770 1.880 6.006 19.587 13.055 1.500 possible 430 62 . LEU C 1 C3H0s 0.770 1.610 3.142 10.209 8.781 1.163 possible 431 62 . LEU O 16 O1H0u 0.660 1.420 29.347 -1.000 15.957 -1.000 bad 432 62 . LEU CB 8 C4H2s 0.770 1.880 7.273 45.603 22.818 1.999 possible 433 62 . LEU CG 4 C4H1b 0.770 1.880 14.600 -1.000 14.704 -1.000 bad 434 62 . LEU CD1 10 C4H3u 0.770 1.880 22.749 -1.000 37.235 -1.000 bad 435 62 . LEU CD2 10 C4H3u 0.770 1.880 43.693 -1.000 37.020 -1.000 bad 436 63 . GLY N 12 N3H1s 0.700 1.640 3.332 15.074 14.480 1.041 possible 437 63 . GLY CA 8 C4H2s 0.770 1.880 4.476 32.374 23.470 1.379 possible 438 63 . GLY C 2 C3H0b 0.770 1.610 2.978 9.471 9.652 0.981 [OK] 439 63 . GLY O 16 O1H0u 0.660 1.420 19.878 -1.000 16.154 -1.000 bad 440 64 . TYR N 12 N3H1s 0.700 1.640 3.495 19.470 13.473 1.445 possible 441 64 . TYR CA 3 C4H1s 0.770 1.880 10.610 -1.000 13.249 -1.000 bad 442 64 . TYR C 1 C3H0s 0.770 1.610 3.668 10.988 8.714 1.261 possible 443 64 . TYR O 16 O1H0u 0.660 1.420 2.932 21.363 15.901 1.344 [OK] 444 64 . TYR CB 8 C4H2s 0.770 1.880 30.843 -1.000 23.426 -1.000 bad 445 64 . TYR CG 2 C3H0b 0.770 1.610 6.732 19.198 9.695 1.980 possible 446 64 . TYR CD1 5 C3H1s 0.770 1.760 5.970 33.696 20.057 1.680 possible 447 64 . TYR CD2 5 C3H1s 0.770 1.760 19.032 -1.000 20.578 -1.000 bad 448 64 . TYR CE1 5 C3H1s 0.770 1.760 5.909 33.585 20.534 1.636 possible 449 64 . TYR CE2 5 C3H1s 0.770 1.760 29.327 -1.000 20.577 -1.000 bad 450 64 . TYR CZ 2 C3H0b 0.770 1.610 1.869 -1.000 9.888 -1.000 bad 451 64 . TYR OH 17 O2H1u 0.660 1.460 36.607 -1.000 18.541 -1.000 bad 452 65 . GLY N 12 N3H1s 0.700 1.640 5.875 28.439 14.480 1.964 possible 453 65 . GLY CA 8 C4H2s 0.770 1.880 14.249 -1.000 23.470 -1.000 bad 454 65 . GLY C 2 C3H0b 0.770 1.610 3.619 10.951 9.652 1.135 possible 455 65 . GLY O 16 O1H0u 0.660 1.420 32.853 -1.000 16.154 -1.000 bad 456 66 . LEU N 12 N3H1s 0.700 1.640 3.653 16.042 13.517 1.187 possible 457 66 . LEU CA 3 C4H1s 0.770 1.880 7.995 29.621 13.055 2.269 possible 458 66 . LEU C 1 C3H0s 0.770 1.610 3.432 10.761 8.781 1.225 possible 459 66 . LEU O 16 O1H0u 0.660 1.420 3.083 22.340 15.957 1.400 possible 460 66 . LEU CB 8 C4H2s 0.770 1.880 17.126 -1.000 22.818 -1.000 bad 461 66 . LEU CG 4 C4H1b 0.770 1.880 2.948 17.239 14.704 1.172 [OK] 462 66 . LEU CD1 10 C4H3u 0.770 1.880 23.505 -1.000 37.235 -1.000 bad 463 66 . LEU CD2 10 C4H3u 0.770 1.880 14.539 -1.000 37.020 -1.000 bad 464 67 . THR N 12 N3H1s 0.700 1.640 6.792 -1.000 13.544 -1.000 bad 465 67 . THR CA 3 C4H1s 0.770 1.880 2.921 14.769 13.025 1.134 [OK] 466 67 . THR C 1 C3H0s 0.770 1.610 2.977 10.454 8.685 1.204 [OK] 467 67 . THR O 16 O1H0u 0.660 1.420 22.344 -1.000 15.795 -1.000 bad 468 67 . THR CB 4 C4H1b 0.770 1.880 14.529 -1.000 14.687 -1.000 bad 469 67 . THR OG1 17 O2H1u 0.660 1.460 19.311 -1.000 17.610 -1.000 bad 470 67 . THR CG2 10 C4H3u 0.770 1.880 29.384 -1.000 36.265 -1.000 bad 471 68 . MET N 12 N3H1s 0.700 1.640 2.707 16.171 13.405 1.206 [OK] 472 68 . MET CA 3 C4H1s 0.770 1.880 4.906 17.694 13.194 1.341 possible 473 68 . MET C 1 C3H0s 0.770 1.610 3.182 10.944 8.756 1.250 possible 474 68 . MET O 16 O1H0u 0.660 1.420 2.997 20.181 16.002 1.261 [OK] 475 68 . MET CB 8 C4H2s 0.770 1.880 4.593 32.533 23.418 1.389 possible 476 68 . MET CG 9 C4H2b 0.770 1.880 15.216 -1.000 23.830 -1.000 bad 477 68 . MET SD 19 S2H0u 1.040 1.770 5.672 37.879 30.207 1.254 possible 478 68 . MET CE 10 C4H3u 0.770 1.880 62.720 -1.000 37.003 -1.000 bad 479 69 . VAL N 12 N3H1s 0.700 1.640 4.355 22.025 13.553 1.625 possible 480 69 . VAL CA 3 C4H1s 0.770 1.880 2.670 11.361 13.078 0.869 [OK] 481 69 . VAL C 1 C3H0s 0.770 1.610 3.206 10.705 8.528 1.255 possible 482 69 . VAL O 16 O1H0u 0.660 1.420 4.453 41.207 15.998 2.576 possible 483 69 . VAL CB 4 C4H1b 0.770 1.880 3.156 15.231 14.514 1.049 possible 484 69 . VAL CG1 10 C4H3u 0.770 1.880 14.255 -1.000 36.320 -1.000 bad 485 69 . VAL CG2 10 C4H3u 0.770 1.880 43.739 -1.000 36.173 -1.000 bad 486 70 . PRO N 11 N3H0u 0.700 1.640 3.344 10.459 8.650 1.209 possible 487 70 . PRO CA 4 C4H1b 0.770 1.880 4.021 25.409 13.828 1.838 possible 488 70 . PRO C 1 C3H0s 0.770 1.610 3.073 9.767 8.768 1.114 possible 489 70 . PRO O 16 O1H0u 0.660 1.420 3.955 30.507 15.856 1.924 possible 490 70 . PRO CB 9 C4H2b 0.770 1.880 3.844 41.934 25.314 1.657 possible 491 70 . PRO CG 9 C4H2b 0.770 1.880 3.419 32.656 25.480 1.282 possible 492 70 . PRO CD 8 C4H2s 0.770 1.880 3.584 31.061 23.390 1.328 possible 493 71 . PHE N 12 N3H1s 0.700 1.640 3.152 16.194 13.524 1.197 possible 494 71 . PHE CA 3 C4H1s 0.770 1.880 5.177 20.598 13.371 1.540 possible 495 71 . PHE C 1 C3H0s 0.770 1.610 3.048 9.895 8.697 1.138 possible 496 71 . PHE O 16 O1H0u 0.660 1.420 4.179 35.945 15.961 2.252 possible 497 71 . PHE CB 8 C4H2s 0.770 1.880 3.010 25.839 23.623 1.094 possible 498 71 . PHE CG 2 C3H0b 0.770 1.610 2.924 10.880 9.684 1.124 [OK] 499 71 . PHE CD1 5 C3H1s 0.770 1.760 6.068 47.683 20.325 2.346 possible 500 71 . PHE CD2 6 C3H1b 0.770 1.760 3.960 22.336 20.948 1.066 possible 501 71 . PHE CE1 6 C3H1b 0.770 1.760 13.633 -1.000 21.532 -1.000 bad 502 71 . PHE CE2 6 C3H1b 0.770 1.760 5.098 57.714 21.625 2.669 possible 503 71 . PHE CZ 6 C3H1b 0.770 1.760 25.905 -1.000 21.555 -1.000 bad 504 72 . GLY N 12 N3H1s 0.700 1.640 5.316 32.888 14.480 2.271 possible 505 72 . GLY CA 8 C4H2s 0.770 1.880 29.220 -1.000 23.470 -1.000 bad 506 72 . GLY C 2 C3H0b 0.770 1.610 1.933 -1.000 9.652 -1.000 bad 507 72 . GLY O 16 O1H0u 0.660 1.420 12.653 -1.000 16.154 -1.000 bad 508 73 . GLY N 12 N3H1s 0.700 1.640 8.173 -1.000 14.480 -1.000 bad 509 73 . GLY CA 8 C4H2s 0.770 1.880 35.400 -1.000 23.470 -1.000 bad 510 73 . GLY C 2 C3H0b 0.770 1.610 4.200 11.758 9.652 1.218 possible 511 73 . GLY O 16 O1H0u 0.660 1.420 35.462 -1.000 16.154 -1.000 bad 512 74 . GLU N 12 N3H1s 0.700 1.640 3.145 14.929 13.461 1.109 possible 513 74 . GLU CA 3 C4H1s 0.770 1.880 4.053 17.745 13.284 1.336 possible 514 74 . GLU C 1 C3H0s 0.770 1.610 3.333 9.890 8.631 1.146 possible 515 74 . GLU O 16 O1H0u 0.660 1.420 3.029 19.935 15.765 1.264 possible 516 74 . GLU CB 8 C4H2s 0.770 1.880 3.698 28.929 23.214 1.246 possible 517 74 . GLU CG 8 C4H2s 0.770 1.880 6.729 42.920 23.304 1.842 possible 518 74 . GLU CD 2 C3H0b 0.770 1.610 5.278 16.408 9.437 1.739 possible 519 74 . GLU OE1 16 O1H0u 0.660 1.420 4.737 39.504 15.497 2.549 possible 520 74 . GLU OE2 16 O1H0u 0.660 1.420 5.329 45.314 16.213 2.795 possible 521 75 . GLN N 12 N3H1s 0.700 1.640 3.615 24.254 13.449 1.803 possible 522 75 . GLN CA 3 C4H1s 0.770 1.880 3.243 17.259 13.231 1.304 possible 523 75 . GLN C 1 C3H0s 0.770 1.610 2.703 10.600 8.744 1.212 [OK] 524 75 . GLN O 16 O1H0u 0.660 1.420 2.933 18.627 15.767 1.181 [OK] 525 75 . GLN CB 8 C4H2s 0.770 1.880 3.278 23.276 23.059 1.009 possible 526 75 . GLN CG 8 C4H2s 0.770 1.880 6.636 47.005 23.218 2.025 possible 527 75 . GLN CD 2 C3H0b 0.770 1.610 6.313 15.917 9.618 1.655 possible 528 75 . GLN OE1 16 O1H0u 0.660 1.420 29.797 -1.000 16.571 -1.000 bad 529 75 . GLN NE2 15 N3H2u 0.700 1.640 20.191 -1.000 23.255 -1.000 bad 530 76 . ASN N 12 N3H1s 0.700 1.640 2.740 13.485 13.525 0.997 [OK] 531 76 . ASN CA 3 C4H1s 0.770 1.880 2.986 14.006 13.052 1.073 [OK] 532 76 . ASN C 1 C3H0s 0.770 1.610 2.838 9.911 8.853 1.120 [OK] 533 76 . ASN O 16 O1H0u 0.660 1.420 3.154 20.478 15.857 1.291 possible 534 76 . ASN CB 8 C4H2s 0.770 1.880 3.640 31.957 22.756 1.404 possible 535 76 . ASN CG 2 C3H0b 0.770 1.610 2.657 9.600 9.537 1.007 [OK] 536 76 . ASN OD1 16 O1H0u 0.660 1.420 2.492 17.977 16.247 1.106 [OK] 537 76 . ASN ND2 15 N3H2u 0.700 1.640 3.473 40.451 22.525 1.796 possible 538 77 . PRO N 11 N3H0u 0.700 1.640 2.675 8.586 8.650 0.993 [OK] 539 77 . PRO CA 4 C4H1b 0.770 1.880 3.088 14.752 13.828 1.067 possible 540 77 . PRO C 1 C3H0s 0.770 1.610 2.855 9.265 8.768 1.057 [OK] 541 77 . PRO O 16 O1H0u 0.660 1.420 3.090 18.895 15.856 1.192 possible 542 77 . PRO CB 9 C4H2b 0.770 1.880 3.590 31.283 25.314 1.236 possible 543 77 . PRO CG 9 C4H2b 0.770 1.880 3.834 35.486 25.480 1.393 possible 544 77 . PRO CD 8 C4H2s 0.770 1.880 3.065 21.711 23.390 0.928 possible 545 78 . ILE N 12 N3H1s 0.700 1.640 2.921 14.982 13.493 1.110 [OK] 546 78 . ILE CA 3 C4H1s 0.770 1.880 2.783 12.809 12.946 0.989 [OK] 547 78 . ILE C 1 C3H0s 0.770 1.610 2.146 8.020 8.445 0.950 [OK] 548 78 . ILE O 16 O1H0u 0.660 1.420 2.120 12.063 15.930 0.757 [OK] 549 78 . ILE CB 4 C4H1b 0.770 1.880 3.174 15.454 14.146 1.092 possible 550 78 . ILE CG1 9 C4H2b 0.770 1.880 3.590 28.875 24.071 1.200 possible 551 78 . ILE CG2 10 C4H3u 0.770 1.880 3.308 38.471 35.763 1.076 possible 552 78 . ILE CD1 10 C4H3u 0.770 1.880 4.456 51.541 38.219 1.349 possible 553 79 . TYR N 12 N3H1s 0.700 1.640 2.844 14.532 13.473 1.079 [OK] 554 79 . TYR CA 3 C4H1s 0.770 1.880 3.376 15.010 13.249 1.133 possible 555 79 . TYR C 1 C3H0s 0.770 1.610 2.348 7.988 8.714 0.917 [OK] 556 79 . TYR O 16 O1H0u 0.660 1.420 2.636 12.501 15.901 0.786 [OK] 557 79 . TYR CB 8 C4H2s 0.770 1.880 3.705 28.639 23.426 1.223 possible 558 79 . TYR CG 2 C3H0b 0.770 1.610 3.262 11.436 9.695 1.180 possible 559 79 . TYR CD1 5 C3H1s 0.770 1.760 3.648 25.084 20.057 1.251 possible 560 79 . TYR CD2 5 C3H1s 0.770 1.760 3.236 25.961 20.578 1.262 possible 561 79 . TYR CE1 5 C3H1s 0.770 1.760 3.511 29.252 20.534 1.425 possible 562 79 . TYR CE2 5 C3H1s 0.770 1.760 3.060 19.958 20.577 0.970 possible 563 79 . TYR CZ 2 C3H0b 0.770 1.610 2.706 10.075 9.888 1.019 [OK] 564 79 . TYR OH 17 O2H1u 0.660 1.460 3.013 26.577 18.541 1.433 possible 565 80 . TRP N 12 N3H1s 0.700 1.640 3.013 16.367 13.639 1.200 possible 566 80 . TRP CA 3 C4H1s 0.770 1.880 3.145 17.225 13.323 1.293 possible 567 80 . TRP C 1 C3H0s 0.770 1.610 2.223 7.620 8.687 0.877 [OK] 568 80 . TRP O 16 O1H0u 0.660 1.420 2.811 19.192 15.797 1.215 [OK] 569 80 . TRP CB 8 C4H2s 0.770 1.880 3.595 28.532 23.826 1.198 possible 570 80 . TRP CG 2 C3H0b 0.770 1.610 2.406 9.588 9.915 0.967 [OK] 571 80 . TRP CD1 5 C3H1s 0.770 1.760 3.336 20.916 20.597 1.015 possible 572 80 . TRP CD2 2 C3H0b 0.770 1.610 2.429 10.149 10.068 1.008 [OK] 573 80 . TRP NE1 13 N3H1b 0.700 1.640 3.807 26.798 16.723 1.602 possible 574 80 . TRP CE2 2 C3H0b 0.770 1.610 3.067 11.901 9.848 1.208 possible 575 80 . TRP CE3 6 C3H1b 0.770 1.760 3.538 24.172 20.383 1.186 possible 576 80 . TRP CZ2 6 C3H1b 0.770 1.760 3.919 26.024 20.931 1.243 possible 577 80 . TRP CZ3 6 C3H1b 0.770 1.760 2.941 24.328 21.429 1.135 [OK] 578 80 . TRP CH2 6 C3H1b 0.770 1.760 4.390 26.539 21.219 1.251 possible 579 81 . ALA N 12 N3H1s 0.700 1.640 2.343 11.314 13.872 0.816 [OK] 580 81 . ALA CA 4 C4H1b 0.770 1.880 2.676 12.326 13.959 0.883 [OK] 581 81 . ALA C 1 C3H0s 0.770 1.610 2.994 8.949 8.858 1.010 [OK] 582 81 . ALA O 16 O1H0u 0.660 1.420 2.791 12.846 16.026 0.802 [OK] 583 81 . ALA CB 10 C4H3u 0.770 1.880 3.611 37.095 36.551 1.015 possible 584 82 . ARG N 12 N3H1s 0.700 1.640 2.985 11.896 13.486 0.882 [OK] 585 82 . ARG CA 3 C4H1s 0.770 1.880 3.550 18.061 13.310 1.357 possible 586 82 . ARG C 1 C3H0s 0.770 1.610 2.303 8.160 8.779 0.930 [OK] 587 82 . ARG O 16 O1H0u 0.660 1.420 2.408 13.516 15.916 0.849 [OK] 588 82 . ARG CB 8 C4H2s 0.770 1.880 3.434 22.741 22.833 0.996 possible 589 82 . ARG CG 8 C4H2s 0.770 1.880 3.454 22.755 23.273 0.978 possible 590 82 . ARG CD 8 C4H2s 0.770 1.880 3.792 30.623 22.849 1.340 possible 591 82 . ARG NE 13 N3H1b 0.700 1.640 3.564 20.341 15.019 1.354 possible 592 82 . ARG CZ 2 C3H0b 0.770 1.610 3.023 12.001 9.678 1.240 possible 593 82 . ARG NH1 15 N3H2u 0.700 1.640 3.614 28.893 22.056 1.310 possible 594 82 . ARG NH2 15 N3H2u 0.700 1.640 2.903 24.365 23.132 1.053 [OK] 595 83 . TYR N 12 N3H1s 0.700 1.640 2.526 13.007 13.473 0.965 [OK] 596 83 . TYR CA 3 C4H1s 0.770 1.880 2.861 13.732 13.249 1.036 [OK] 597 83 . TYR C 1 C3H0s 0.770 1.610 3.203 9.137 8.714 1.049 possible 598 83 . TYR O 16 O1H0u 0.660 1.420 2.863 15.626 15.901 0.983 [OK] 599 83 . TYR CB 8 C4H2s 0.770 1.880 3.480 28.429 23.426 1.214 possible 600 83 . TYR CG 2 C3H0b 0.770 1.610 2.520 9.080 9.695 0.937 [OK] 601 83 . TYR CD1 5 C3H1s 0.770 1.760 3.026 23.545 20.057 1.174 possible 602 83 . TYR CD2 5 C3H1s 0.770 1.760 3.035 20.679 20.578 1.005 possible 603 83 . TYR CE1 5 C3H1s 0.770 1.760 2.865 23.150 20.534 1.127 [OK] 604 83 . TYR CE2 5 C3H1s 0.770 1.760 3.112 22.148 20.577 1.076 possible 605 83 . TYR CZ 2 C3H0b 0.770 1.610 2.954 11.341 9.888 1.147 [OK] 606 83 . TYR OH 17 O2H1u 0.660 1.460 3.192 25.975 18.541 1.401 possible 607 84 . ALA N 12 N3H1s 0.700 1.640 3.204 14.864 13.872 1.071 possible 608 84 . ALA CA 4 C4H1b 0.770 1.880 3.191 16.337 13.959 1.170 possible 609 84 . ALA C 1 C3H0s 0.770 1.610 3.081 9.487 8.858 1.071 possible 610 84 . ALA O 16 O1H0u 0.660 1.420 2.868 15.837 16.026 0.988 [OK] 611 84 . ALA CB 10 C4H3u 0.770 1.880 4.905 52.035 36.551 1.424 possible 612 85 . ASP N 12 N3H1s 0.700 1.640 3.015 13.092 13.654 0.959 possible 613 85 . ASP CA 3 C4H1s 0.770 1.880 3.053 15.242 13.254 1.150 possible 614 85 . ASP C 1 C3H0s 0.770 1.610 2.606 8.469 8.750 0.968 [OK] 615 85 . ASP O 16 O1H0u 0.660 1.420 2.421 15.145 15.757 0.961 [OK] 616 85 . ASP CB 8 C4H2s 0.770 1.880 3.267 23.645 23.022 1.027 possible 617 85 . ASP CG 2 C3H0b 0.770 1.610 2.593 10.232 9.336 1.096 [OK] 618 85 . ASP OD1 16 O1H0u 0.660 1.420 2.465 17.779 15.078 1.179 [OK] 619 85 . ASP OD2 16 O1H0u 0.660 1.420 2.874 24.935 15.582 1.600 [OK] 620 86 . TRP N 12 N3H1s 0.700 1.640 2.568 12.159 13.639 0.891 [OK] 621 86 . TRP CA 3 C4H1s 0.770 1.880 2.759 13.941 13.323 1.046 [OK] 622 86 . TRP C 1 C3H0s 0.770 1.610 2.062 8.221 8.687 0.946 [OK] 623 86 . TRP O 16 O1H0u 0.660 1.420 2.276 13.661 15.797 0.865 [OK] 624 86 . TRP CB 8 C4H2s 0.770 1.880 2.831 22.324 23.826 0.937 [OK] 625 86 . TRP CG 2 C3H0b 0.770 1.610 2.318 9.014 9.915 0.909 [OK] 626 86 . TRP CD1 5 C3H1s 0.770 1.760 2.807 17.724 20.597 0.861 [OK] 627 86 . TRP CD2 2 C3H0b 0.770 1.610 2.642 10.220 10.068 1.015 [OK] 628 86 . TRP NE1 13 N3H1b 0.700 1.640 3.072 19.456 16.723 1.163 possible 629 86 . TRP CE2 2 C3H0b 0.770 1.610 2.629 10.510 9.848 1.067 [OK] 630 86 . TRP CE3 6 C3H1b 0.770 1.760 2.836 20.935 20.383 1.027 [OK] 631 86 . TRP CZ2 6 C3H1b 0.770 1.760 3.166 24.358 20.931 1.164 possible 632 86 . TRP CZ3 6 C3H1b 0.770 1.760 2.959 20.632 21.429 0.963 [OK] 633 86 . TRP CH2 6 C3H1b 0.770 1.760 3.432 22.433 21.219 1.057 possible 634 87 . LEU N 12 N3H1s 0.700 1.640 2.293 11.808 13.517 0.874 [OK] 635 87 . LEU CA 3 C4H1s 0.770 1.880 2.796 12.342 13.055 0.945 [OK] 636 87 . LEU C 1 C3H0s 0.770 1.610 2.465 8.606 8.781 0.980 [OK] 637 87 . LEU O 16 O1H0u 0.660 1.420 3.079 20.046 15.957 1.256 possible 638 87 . LEU CB 8 C4H2s 0.770 1.880 3.211 19.140 22.818 0.839 possible 639 87 . LEU CG 4 C4H1b 0.770 1.880 2.857 15.379 14.704 1.046 [OK] 640 87 . LEU CD1 10 C4H3u 0.770 1.880 3.639 52.650 37.235 1.414 possible 641 87 . LEU CD2 10 C4H3u 0.770 1.880 3.660 42.916 37.020 1.159 possible 642 88 . PHE N 12 N3H1s 0.700 1.640 2.363 12.632 13.524 0.934 [OK] 643 88 . PHE CA 3 C4H1s 0.770 1.880 3.140 14.601 13.371 1.092 possible 644 88 . PHE C 1 C3H0s 0.770 1.610 2.765 9.761 8.697 1.122 [OK] 645 88 . PHE O 16 O1H0u 0.660 1.420 2.697 14.196 15.961 0.889 [OK] 646 88 . PHE CB 8 C4H2s 0.770 1.880 3.697 28.948 23.623 1.225 possible 647 88 . PHE CG 2 C3H0b 0.770 1.610 4.483 13.209 9.684 1.364 possible 648 88 . PHE CD1 5 C3H1s 0.770 1.760 5.883 46.624 20.325 2.294 possible 649 88 . PHE CD2 6 C3H1b 0.770 1.760 4.688 26.955 20.948 1.287 possible 650 88 . PHE CE1 6 C3H1b 0.770 1.760 15.115 -1.000 21.532 -1.000 bad 651 88 . PHE CE2 6 C3H1b 0.770 1.760 10.754 -1.000 21.625 -1.000 bad 652 88 . PHE CZ 6 C3H1b 0.770 1.760 16.897 -1.000 21.555 -1.000 bad 653 89 . THR N 12 N3H1s 0.700 1.640 2.799 15.175 13.544 1.120 [OK] 654 89 . THR CA 3 C4H1s 0.770 1.880 3.101 15.426 13.025 1.184 possible 655 89 . THR C 1 C3H0s 0.770 1.610 2.372 7.510 8.685 0.865 [OK] 656 89 . THR O 16 O1H0u 0.660 1.420 2.389 13.960 15.795 0.884 [OK] 657 89 . THR CB 4 C4H1b 0.770 1.880 2.834 13.492 14.687 0.919 [OK] 658 89 . THR OG1 17 O2H1u 0.660 1.460 2.556 21.219 17.610 1.205 [OK] 659 89 . THR CG2 10 C4H3u 0.770 1.880 3.036 29.459 36.265 0.812 possible 660 90 . THR N 12 N3H1s 0.700 1.640 2.467 12.144 13.544 0.897 [OK] 661 90 . THR CA 3 C4H1s 0.770 1.880 2.873 14.938 13.025 1.147 [OK] 662 90 . THR C 1 C3H0s 0.770 1.610 2.130 7.682 8.685 0.885 [OK] 663 90 . THR O 16 O1H0u 0.660 1.420 2.344 13.924 15.795 0.882 [OK] 664 90 . THR CB 4 C4H1b 0.770 1.880 2.487 12.251 14.687 0.834 [OK] 665 90 . THR OG1 17 O2H1u 0.660 1.460 2.577 19.145 17.610 1.087 [OK] 666 90 . THR CG2 10 C4H3u 0.770 1.880 2.961 33.810 36.265 0.932 [OK] 667 91 . PRO N 11 N3H0u 0.700 1.640 2.103 7.820 8.650 0.904 [OK] 668 91 . PRO CA 4 C4H1b 0.770 1.880 3.083 16.125 13.828 1.166 possible 669 91 . PRO C 1 C3H0s 0.770 1.610 2.787 9.046 8.768 1.032 [OK] 670 91 . PRO O 16 O1H0u 0.660 1.420 2.691 17.587 15.856 1.109 [OK] 671 91 . PRO CB 9 C4H2b 0.770 1.880 3.199 27.593 25.314 1.090 possible 672 91 . PRO CG 9 C4H2b 0.770 1.880 3.748 33.975 25.480 1.333 possible 673 91 . PRO CD 8 C4H2s 0.770 1.880 3.017 19.896 23.390 0.851 possible 674 92 . LEU N 12 N3H1s 0.700 1.640 2.790 11.639 13.517 0.861 [OK] 675 92 . LEU CA 3 C4H1s 0.770 1.880 3.042 13.734 13.055 1.052 possible 676 92 . LEU C 1 C3H0s 0.770 1.610 2.770 9.032 8.781 1.029 [OK] 677 92 . LEU O 16 O1H0u 0.660 1.420 2.851 14.884 15.957 0.933 [OK] 678 92 . LEU CB 8 C4H2s 0.770 1.880 3.050 24.049 22.818 1.054 possible 679 92 . LEU CG 4 C4H1b 0.770 1.880 4.106 22.064 14.704 1.501 possible 680 92 . LEU CD1 10 C4H3u 0.770 1.880 5.206 55.400 37.235 1.488 possible 681 92 . LEU CD2 10 C4H3u 0.770 1.880 4.848 52.084 37.020 1.407 possible 682 93 . LEU N 12 N3H1s 0.700 1.640 2.850 13.122 13.517 0.971 [OK] 683 93 . LEU CA 3 C4H1s 0.770 1.880 3.431 16.232 13.055 1.243 possible 684 93 . LEU C 1 C3H0s 0.770 1.610 2.778 9.088 8.781 1.035 [OK] 685 93 . LEU O 16 O1H0u 0.660 1.420 2.397 15.076 15.957 0.945 [OK] 686 93 . LEU CB 8 C4H2s 0.770 1.880 3.027 22.384 22.818 0.981 possible 687 93 . LEU CG 4 C4H1b 0.770 1.880 2.895 15.018 14.704 1.021 [OK] 688 93 . LEU CD1 10 C4H3u 0.770 1.880 3.618 40.928 37.235 1.099 possible 689 93 . LEU CD2 10 C4H3u 0.770 1.880 3.755 48.809 37.020 1.318 possible 690 94 . LEU N 12 N3H1s 0.700 1.640 2.903 13.623 13.517 1.008 [OK] 691 94 . LEU CA 3 C4H1s 0.770 1.880 2.916 12.328 13.055 0.944 [OK] 692 94 . LEU C 1 C3H0s 0.770 1.610 2.554 8.686 8.781 0.989 [OK] 693 94 . LEU O 16 O1H0u 0.660 1.420 2.416 13.450 15.957 0.843 [OK] 694 94 . LEU CB 8 C4H2s 0.770 1.880 3.090 23.512 22.818 1.030 possible 695 94 . LEU CG 4 C4H1b 0.770 1.880 3.246 19.113 14.704 1.300 possible 696 94 . LEU CD1 10 C4H3u 0.770 1.880 3.090 28.881 37.235 0.776 possible 697 94 . LEU CD2 10 C4H3u 0.770 1.880 3.151 35.190 37.020 0.951 possible 698 95 . LEU N 12 N3H1s 0.700 1.640 2.631 13.234 13.517 0.979 [OK] 699 95 . LEU CA 3 C4H1s 0.770 1.880 2.947 16.875 13.055 1.293 [OK] 700 95 . LEU C 1 C3H0s 0.770 1.610 2.378 7.782 8.781 0.886 [OK] 701 95 . LEU O 16 O1H0u 0.660 1.420 2.699 16.030 15.957 1.005 [OK] 702 95 . LEU CB 8 C4H2s 0.770 1.880 3.209 23.063 22.818 1.011 possible 703 95 . LEU CG 4 C4H1b 0.770 1.880 2.680 13.279 14.704 0.903 [OK] 704 95 . LEU CD1 10 C4H3u 0.770 1.880 3.426 42.389 37.235 1.138 possible 705 95 . LEU CD2 10 C4H3u 0.770 1.880 3.773 37.099 37.020 1.002 possible 706 96 . ASP N 12 N3H1s 0.700 1.640 2.477 12.790 13.654 0.937 [OK] 707 96 . ASP CA 3 C4H1s 0.770 1.880 3.192 15.459 13.254 1.166 possible 708 96 . ASP C 1 C3H0s 0.770 1.610 2.370 8.108 8.750 0.927 [OK] 709 96 . ASP O 16 O1H0u 0.660 1.420 2.631 14.898 15.757 0.945 [OK] 710 96 . ASP CB 8 C4H2s 0.770 1.880 3.419 22.604 23.022 0.982 possible 711 96 . ASP CG 2 C3H0b 0.770 1.610 2.843 9.496 9.336 1.017 [OK] 712 96 . ASP OD1 16 O1H0u 0.660 1.420 2.703 17.497 15.078 1.160 [OK] 713 96 . ASP OD2 16 O1H0u 0.660 1.420 2.683 18.353 15.582 1.178 [OK] 714 97 . LEU N 12 N3H1s 0.700 1.640 2.780 13.961 13.517 1.033 [OK] 715 97 . LEU CA 3 C4H1s 0.770 1.880 3.181 17.889 13.055 1.370 possible 716 97 . LEU C 1 C3H0s 0.770 1.610 3.110 9.103 8.781 1.037 possible 717 97 . LEU O 16 O1H0u 0.660 1.420 3.062 18.922 15.957 1.186 possible 718 97 . LEU CB 8 C4H2s 0.770 1.880 3.242 24.780 22.818 1.086 possible 719 97 . LEU CG 4 C4H1b 0.770 1.880 2.477 11.908 14.704 0.810 [OK] 720 97 . LEU CD1 10 C4H3u 0.770 1.880 3.887 38.148 37.235 1.025 possible 721 97 . LEU CD2 10 C4H3u 0.770 1.880 3.343 44.767 37.020 1.209 possible 722 98 . ALA N 12 N3H1s 0.700 1.640 3.118 12.081 13.872 0.871 possible 723 98 . ALA CA 4 C4H1b 0.770 1.880 3.939 24.681 13.959 1.768 possible 724 98 . ALA C 1 C3H0s 0.770 1.610 2.521 8.448 8.858 0.954 [OK] 725 98 . ALA O 16 O1H0u 0.660 1.420 2.930 15.069 16.026 0.940 [OK] 726 98 . ALA CB 10 C4H3u 0.770 1.880 3.875 44.994 36.551 1.231 possible 727 99 . LEU N 12 N3H1s 0.700 1.640 2.908 13.751 13.517 1.017 [OK] 728 99 . LEU CA 3 C4H1s 0.770 1.880 2.998 14.158 13.055 1.085 [OK] 729 99 . LEU C 1 C3H0s 0.770 1.610 2.383 8.703 8.781 0.991 [OK] 730 99 . LEU O 16 O1H0u 0.660 1.420 5.434 46.075 15.957 2.887 possible 731 99 . LEU CB 8 C4H2s 0.770 1.880 3.027 19.844 22.818 0.870 possible 732 99 . LEU CG 4 C4H1b 0.770 1.880 2.822 12.832 14.704 0.873 [OK] 733 99 . LEU CD1 10 C4H3u 0.770 1.880 6.142 87.468 37.235 2.349 possible 734 99 . LEU CD2 10 C4H3u 0.770 1.880 3.626 39.411 37.020 1.065 possible 735 100 . LEU N 12 N3H1s 0.700 1.640 2.349 12.026 13.517 0.890 [OK] 736 100 . LEU CA 3 C4H1s 0.770 1.880 3.406 13.605 13.055 1.042 possible 737 100 . LEU C 1 C3H0s 0.770 1.610 2.430 8.649 8.781 0.985 [OK] 738 100 . LEU O 16 O1H0u 0.660 1.420 4.326 53.539 15.957 3.355 possible 739 100 . LEU CB 8 C4H2s 0.770 1.880 3.196 21.619 22.818 0.947 possible 740 100 . LEU CG 4 C4H1b 0.770 1.880 3.578 18.672 14.704 1.270 possible 741 100 . LEU CD1 10 C4H3u 0.770 1.880 4.423 51.227 37.235 1.376 possible 742 100 . LEU CD2 10 C4H3u 0.770 1.880 3.239 49.970 37.020 1.350 possible 743 101 . VAL N 12 N3H1s 0.700 1.640 2.424 12.552 13.553 0.926 [OK] 744 101 . VAL CA 3 C4H1s 0.770 1.880 4.015 16.761 13.078 1.282 possible 745 101 . VAL C 1 C3H0s 0.770 1.610 3.025 9.567 8.528 1.122 possible 746 101 . VAL O 16 O1H0u 0.660 1.420 5.339 47.754 15.998 2.985 possible 747 101 . VAL CB 4 C4H1b 0.770 1.880 3.766 18.161 14.514 1.251 possible 748 101 . VAL CG1 10 C4H3u 0.770 1.880 4.475 57.311 36.320 1.578 possible 749 101 . VAL CG2 10 C4H3u 0.770 1.880 4.487 59.885 36.173 1.656 possible 750 102 . ASP N 12 N3H1s 0.700 1.640 3.233 13.871 13.654 1.016 possible 751 102 . ASP CA 3 C4H1s 0.770 1.880 4.258 17.408 13.254 1.313 possible 752 102 . ASP C 1 C3H0s 0.770 1.610 2.770 9.379 8.750 1.072 [OK] 753 102 . ASP O 16 O1H0u 0.660 1.420 2.682 19.992 15.757 1.269 [OK] 754 102 . ASP CB 8 C4H2s 0.770 1.880 3.939 34.974 23.022 1.519 possible 755 102 . ASP CG 2 C3H0b 0.770 1.610 3.436 11.832 9.336 1.267 possible 756 102 . ASP OD1 16 O1H0u 0.660 1.420 3.707 32.921 15.078 2.183 possible 757 102 . ASP OD2 16 O1H0u 0.660 1.420 3.151 21.028 15.582 1.349 possible 758 103 . ALA N 12 N3H1s 0.700 1.640 3.903 23.621 13.872 1.703 possible 759 103 . ALA CA 4 C4H1b 0.770 1.880 3.758 16.112 13.959 1.154 possible 760 103 . ALA C 1 C3H0s 0.770 1.610 3.404 11.199 8.858 1.264 possible 761 103 . ALA O 16 O1H0u 0.660 1.420 6.470 59.354 16.026 3.704 possible 762 103 . ALA CB 10 C4H3u 0.770 1.880 53.679 -1.000 36.551 -1.000 bad 763 104 . ASP N 12 N3H1s 0.700 1.640 2.752 15.278 13.654 1.119 [OK] 764 104 . ASP CA 3 C4H1s 0.770 1.880 3.970 17.086 13.254 1.289 possible 765 104 . ASP C 1 C3H0s 0.770 1.610 2.598 9.333 8.750 1.067 [OK] 766 104 . ASP O 16 O1H0u 0.660 1.420 2.519 13.815 15.757 0.877 [OK] 767 104 . ASP CB 8 C4H2s 0.770 1.880 7.384 45.516 23.022 1.977 possible 768 104 . ASP CG 2 C3H0b 0.770 1.610 6.035 15.291 9.336 1.638 possible 769 104 . ASP OD1 16 O1H0u 0.660 1.420 42.616 -1.000 15.078 -1.000 bad 770 104 . ASP OD2 16 O1H0u 0.660 1.420 5.296 47.924 15.582 3.076 possible 771 105 . GLN N 12 N3H1s 0.700 1.640 4.222 21.124 13.449 1.571 possible 772 105 . GLN CA 3 C4H1s 0.770 1.880 2.713 13.656 13.231 1.032 [OK] 773 105 . GLN C 1 C3H0s 0.770 1.610 2.730 7.990 8.744 0.914 [OK] 774 105 . GLN O 16 O1H0u 0.660 1.420 2.497 15.585 15.767 0.988 [OK] 775 105 . GLN CB 8 C4H2s 0.770 1.880 4.046 21.719 23.059 0.942 possible 776 105 . GLN CG 8 C4H2s 0.770 1.880 3.231 26.243 23.218 1.130 possible 777 105 . GLN CD 2 C3H0b 0.770 1.610 4.525 12.313 9.618 1.280 possible 778 105 . GLN OE1 16 O1H0u 0.660 1.420 19.096 -1.000 16.571 -1.000 bad 779 105 . GLN NE2 15 N3H2u 0.700 1.640 25.519 -1.000 23.255 -1.000 bad 780 106 . GLY N 12 N3H1s 0.700 1.640 6.267 -1.000 14.480 -1.000 bad 781 106 . GLY CA 8 C4H2s 0.770 1.880 41.345 -1.000 23.470 -1.000 bad 782 106 . GLY C 2 C3H0b 0.770 1.610 1.538 -1.000 9.652 -1.000 bad 783 106 . GLY O 16 O1H0u 0.660 1.420 4.997 22.178 16.154 1.373 possible 784 107 . THR N 12 N3H1s 0.700 1.640 3.611 -1.000 13.544 -1.000 bad 785 107 . THR CA 3 C4H1s 0.770 1.880 5.908 26.546 13.025 2.038 possible 786 107 . THR C 1 C3H0s 0.770 1.610 2.540 8.251 8.685 0.950 [OK] 787 107 . THR O 16 O1H0u 0.660 1.420 3.392 17.040 15.795 1.079 possible 788 107 . THR CB 4 C4H1b 0.770 1.880 3.004 14.838 14.687 1.010 possible 789 107 . THR OG1 17 O2H1u 0.660 1.460 16.676 -1.000 17.610 -1.000 bad 790 107 . THR CG2 10 C4H3u 0.770 1.880 5.227 55.775 36.265 1.538 possible 791 108 . ILE N 12 N3H1s 0.700 1.640 2.999 13.553 13.493 1.004 [OK] 792 108 . ILE CA 3 C4H1s 0.770 1.880 3.181 13.538 12.946 1.046 possible 793 108 . ILE C 1 C3H0s 0.770 1.610 2.700 7.889 8.445 0.934 [OK] 794 108 . ILE O 16 O1H0u 0.660 1.420 2.477 12.186 15.930 0.765 [OK] 795 108 . ILE CB 4 C4H1b 0.770 1.880 2.666 14.110 14.146 0.997 [OK] 796 108 . ILE CG1 9 C4H2b 0.770 1.880 3.242 27.133 24.071 1.127 possible 797 108 . ILE CG2 10 C4H3u 0.770 1.880 3.368 40.523 35.763 1.133 possible 798 108 . ILE CD1 10 C4H3u 0.770 1.880 3.791 46.518 38.219 1.217 possible 799 109 . LEU N 12 N3H1s 0.700 1.640 2.881 14.147 13.517 1.047 [OK] 800 109 . LEU CA 3 C4H1s 0.770 1.880 3.337 17.261 13.055 1.322 possible 801 109 . LEU C 1 C3H0s 0.770 1.610 3.151 8.621 8.781 0.982 possible 802 109 . LEU O 16 O1H0u 0.660 1.420 4.293 21.774 15.957 1.365 possible 803 109 . LEU CB 8 C4H2s 0.770 1.880 4.463 25.541 22.818 1.119 possible 804 109 . LEU CG 4 C4H1b 0.770 1.880 3.073 16.750 14.704 1.139 possible 805 109 . LEU CD1 10 C4H3u 0.770 1.880 36.881 -1.000 37.235 -1.000 bad 806 109 . LEU CD2 10 C4H3u 0.770 1.880 24.654 -1.000 37.020 -1.000 bad 807 110 . ALA N 12 N3H1s 0.700 1.640 4.716 17.135 13.872 1.235 possible 808 110 . ALA CA 4 C4H1b 0.770 1.880 14.093 -1.000 13.959 -1.000 bad 809 110 . ALA C 1 C3H0s 0.770 1.610 3.076 9.297 8.858 1.050 possible 810 110 . ALA O 16 O1H0u 0.660 1.420 7.393 38.053 16.026 2.374 possible 811 110 . ALA CB 10 C4H3u 0.770 1.880 43.653 -1.000 36.551 -1.000 bad 812 111 . LEU N 12 N3H1s 0.700 1.640 3.280 14.241 13.517 1.054 possible 813 111 . LEU CA 3 C4H1s 0.770 1.880 3.515 20.597 13.055 1.578 possible 814 111 . LEU C 1 C3H0s 0.770 1.610 2.678 8.654 8.781 0.986 [OK] 815 111 . LEU O 16 O1H0u 0.660 1.420 2.841 19.075 15.957 1.195 [OK] 816 111 . LEU CB 8 C4H2s 0.770 1.880 3.339 22.159 22.818 0.971 possible 817 111 . LEU CG 4 C4H1b 0.770 1.880 3.302 17.075 14.704 1.161 possible 818 111 . LEU CD1 10 C4H3u 0.770 1.880 3.939 49.956 37.235 1.342 possible 819 111 . LEU CD2 10 C4H3u 0.770 1.880 2.947 32.915 37.020 0.889 [OK] 820 112 . VAL N 12 N3H1s 0.700 1.640 2.721 11.722 13.553 0.865 [OK] 821 112 . VAL CA 3 C4H1s 0.770 1.880 3.153 14.428 13.078 1.103 possible 822 112 . VAL C 1 C3H0s 0.770 1.610 2.740 9.051 8.528 1.061 [OK] 823 112 . VAL O 16 O1H0u 0.660 1.420 3.196 20.475 15.998 1.280 possible 824 112 . VAL CB 4 C4H1b 0.770 1.880 3.337 17.974 14.514 1.238 possible 825 112 . VAL CG1 10 C4H3u 0.770 1.880 3.638 48.183 36.320 1.327 possible 826 112 . VAL CG2 10 C4H3u 0.770 1.880 3.368 44.510 36.173 1.230 possible 827 113 . GLY N 12 N3H1s 0.700 1.640 3.047 14.344 14.480 0.991 possible 828 113 . GLY CA 8 C4H2s 0.770 1.880 17.061 -1.000 23.470 -1.000 bad 829 113 . GLY C 2 C3H0b 0.770 1.610 6.591 16.513 9.652 1.711 possible 830 113 . GLY O 16 O1H0u 0.660 1.420 3.682 17.671 16.154 1.094 possible 831 114 . ALA N 12 N3H1s 0.700 1.640 6.773 21.246 13.872 1.532 possible 832 114 . ALA CA 4 C4H1b 0.770 1.880 7.572 29.331 13.959 2.101 possible 833 114 . ALA C 1 C3H0s 0.770 1.610 2.580 8.688 8.858 0.981 [OK] 834 114 . ALA O 16 O1H0u 0.660 1.420 2.831 17.507 16.026 1.092 [OK] 835 114 . ALA CB 10 C4H3u 0.770 1.880 7.814 76.690 36.551 2.098 possible 836 115 . ASP N 12 N3H1s 0.700 1.640 2.367 12.389 13.654 0.907 [OK] 837 115 . ASP CA 3 C4H1s 0.770 1.880 2.748 12.585 13.254 0.950 [OK] 838 115 . ASP C 1 C3H0s 0.770 1.610 2.398 7.981 8.750 0.912 [OK] 839 115 . ASP O 16 O1H0u 0.660 1.420 2.686 14.766 15.757 0.937 [OK] 840 115 . ASP CB 8 C4H2s 0.770 1.880 3.026 22.117 23.022 0.961 possible 841 115 . ASP CG 2 C3H0b 0.770 1.610 2.791 10.528 9.336 1.128 [OK] 842 115 . ASP OD1 16 O1H0u 0.660 1.420 2.814 17.937 15.078 1.190 [OK] 843 115 . ASP OD2 16 O1H0u 0.660 1.420 2.596 18.012 15.582 1.156 [OK] 844 116 . GLY N 12 N3H1s 0.700 1.640 2.831 13.710 14.480 0.947 [OK] 845 116 . GLY CA 8 C4H2s 0.770 1.880 3.752 39.140 23.470 1.668 possible 846 116 . GLY C 2 C3H0b 0.770 1.610 2.644 8.498 9.652 0.880 [OK] 847 116 . GLY O 16 O1H0u 0.660 1.420 2.988 19.570 16.154 1.211 [OK] 848 117 . ILE N 12 N3H1s 0.700 1.640 2.288 12.002 13.493 0.889 [OK] 849 117 . ILE CA 3 C4H1s 0.770 1.880 2.720 14.339 12.946 1.108 [OK] 850 117 . ILE C 1 C3H0s 0.770 1.610 2.151 7.811 8.445 0.925 [OK] 851 117 . ILE O 16 O1H0u 0.660 1.420 2.495 13.774 15.930 0.865 [OK] 852 117 . ILE CB 4 C4H1b 0.770 1.880 5.579 20.433 14.146 1.444 possible 853 117 . ILE CG1 9 C4H2b 0.770 1.880 11.590 -1.000 24.071 -1.000 bad 854 117 . ILE CG2 10 C4H3u 0.770 1.880 27.118 -1.000 35.763 -1.000 bad 855 117 . ILE CD1 10 C4H3u 0.770 1.880 13.867 -1.000 38.219 -1.000 bad 856 118 . MET N 12 N3H1s 0.700 1.640 2.213 11.879 13.405 0.886 [OK] 857 118 . MET CA 3 C4H1s 0.770 1.880 2.927 14.406 13.194 1.092 [OK] 858 118 . MET C 1 C3H0s 0.770 1.610 2.779 8.024 8.756 0.916 [OK] 859 118 . MET O 16 O1H0u 0.660 1.420 2.618 19.241 16.002 1.202 [OK] 860 118 . MET CB 8 C4H2s 0.770 1.880 2.897 20.579 23.418 0.879 [OK] 861 118 . MET CG 9 C4H2b 0.770 1.880 3.076 26.281 23.830 1.103 possible 862 118 . MET SD 19 S2H0u 1.040 1.770 2.922 30.401 30.207 1.006 [OK] 863 118 . MET CE 10 C4H3u 0.770 1.880 3.097 33.062 37.003 0.893 possible 864 119 . ILE N 12 N3H1s 0.700 1.640 2.723 13.341 13.493 0.989 [OK] 865 119 . ILE CA 3 C4H1s 0.770 1.880 3.060 15.057 12.946 1.163 possible 866 119 . ILE C 1 C3H0s 0.770 1.610 2.760 7.964 8.445 0.943 [OK] 867 119 . ILE O 16 O1H0u 0.660 1.420 2.596 16.819 15.930 1.056 [OK] 868 119 . ILE CB 4 C4H1b 0.770 1.880 3.138 15.061 14.146 1.065 possible 869 119 . ILE CG1 9 C4H2b 0.770 1.880 3.322 26.382 24.071 1.096 possible 870 119 . ILE CG2 10 C4H3u 0.770 1.880 3.347 38.378 35.763 1.073 possible 871 119 . ILE CD1 10 C4H3u 0.770 1.880 3.044 34.435 38.219 0.901 possible 872 120 . GLY N 12 N3H1s 0.700 1.640 2.885 14.899 14.480 1.029 [OK] 873 120 . GLY CA 8 C4H2s 0.770 1.880 3.665 31.633 23.470 1.348 possible 874 120 . GLY C 2 C3H0b 0.770 1.610 2.341 8.458 9.652 0.876 [OK] 875 120 . GLY O 16 O1H0u 0.660 1.420 2.577 14.472 16.154 0.896 [OK] 876 121 . THR N 12 N3H1s 0.700 1.640 2.472 13.405 13.544 0.990 [OK] 877 121 . THR CA 3 C4H1s 0.770 1.880 2.793 12.469 13.025 0.957 [OK] 878 121 . THR C 1 C3H0s 0.770 1.610 2.256 8.405 8.685 0.968 [OK] 879 121 . THR O 16 O1H0u 0.660 1.420 2.896 15.942 15.795 1.009 [OK] 880 121 . THR CB 4 C4H1b 0.770 1.880 2.944 15.513 14.687 1.056 [OK] 881 121 . THR OG1 17 O2H1u 0.660 1.460 5.937 38.591 17.610 2.191 possible 882 121 . THR CG2 10 C4H3u 0.770 1.880 3.519 36.886 36.265 1.017 possible 883 122 . GLY N 12 N3H1s 0.700 1.640 2.464 12.388 14.480 0.856 [OK] 884 122 . GLY CA 8 C4H2s 0.770 1.880 3.379 29.342 23.470 1.250 possible 885 122 . GLY C 2 C3H0b 0.770 1.610 2.813 9.868 9.652 1.022 [OK] 886 122 . GLY O 16 O1H0u 0.660 1.420 2.888 19.538 16.154 1.209 [OK] 887 123 . LEU N 12 N3H1s 0.700 1.640 2.828 13.128 13.517 0.971 [OK] 888 123 . LEU CA 3 C4H1s 0.770 1.880 2.729 14.125 13.055 1.082 [OK] 889 123 . LEU C 1 C3H0s 0.770 1.610 2.807 8.251 8.781 0.940 [OK] 890 123 . LEU O 16 O1H0u 0.660 1.420 2.623 13.838 15.957 0.867 [OK] 891 123 . LEU CB 8 C4H2s 0.770 1.880 3.265 22.556 22.818 0.989 possible 892 123 . LEU CG 4 C4H1b 0.770 1.880 3.329 15.615 14.704 1.062 possible 893 123 . LEU CD1 10 C4H3u 0.770 1.880 3.443 39.837 37.235 1.070 possible 894 123 . LEU CD2 10 C4H3u 0.770 1.880 3.665 58.090 37.020 1.569 possible 895 124 . VAL N 12 N3H1s 0.700 1.640 3.011 13.042 13.553 0.962 possible 896 124 . VAL CA 3 C4H1s 0.770 1.880 4.257 21.259 13.078 1.626 possible 897 124 . VAL C 1 C3H0s 0.770 1.610 2.278 7.787 8.528 0.913 [OK] 898 124 . VAL O 16 O1H0u 0.660 1.420 4.479 24.085 15.998 1.505 possible 899 124 . VAL CB 4 C4H1b 0.770 1.880 2.940 13.084 14.514 0.901 [OK] 900 124 . VAL CG1 10 C4H3u 0.770 1.880 7.514 93.320 36.320 2.569 possible 901 124 . VAL CG2 10 C4H3u 0.770 1.880 4.597 45.006 36.173 1.244 possible 902 125 . GLY N 12 N3H1s 0.700 1.640 2.418 13.025 14.480 0.900 [OK] 903 125 . GLY CA 8 C4H2s 0.770 1.880 3.417 25.083 23.470 1.069 possible 904 125 . GLY C 2 C3H0b 0.770 1.610 2.613 9.946 9.652 1.030 [OK] 905 125 . GLY O 16 O1H0u 0.660 1.420 2.746 18.132 16.154 1.122 [OK] 906 126 . ALA N 12 N3H1s 0.700 1.640 2.603 12.518 13.872 0.902 [OK] 907 126 . ALA CA 4 C4H1b 0.770 1.880 3.216 15.894 13.959 1.139 possible 908 126 . ALA C 1 C3H0s 0.770 1.610 2.544 8.647 8.858 0.976 [OK] 909 126 . ALA O 16 O1H0u 0.660 1.420 2.810 18.517 16.026 1.155 [OK] 910 126 . ALA CB 10 C4H3u 0.770 1.880 3.276 33.762 36.551 0.924 possible 911 127 . LEU N 12 N3H1s 0.700 1.640 2.179 11.251 13.517 0.832 [OK] 912 127 . LEU CA 3 C4H1s 0.770 1.880 3.053 13.604 13.055 1.042 possible 913 127 . LEU C 1 C3H0s 0.770 1.610 4.342 11.428 8.781 1.301 possible 914 127 . LEU O 16 O1H0u 0.660 1.420 4.840 37.650 15.957 2.359 possible 915 127 . LEU CB 8 C4H2s 0.770 1.880 4.675 37.178 22.818 1.629 possible 916 127 . LEU CG 4 C4H1b 0.770 1.880 2.932 13.364 14.704 0.909 [OK] 917 127 . LEU CD1 10 C4H3u 0.770 1.880 3.728 43.550 37.235 1.170 possible 918 127 . LEU CD2 10 C4H3u 0.770 1.880 3.857 67.570 37.020 1.825 possible 919 128 . THR N 12 N3H1s 0.700 1.640 4.415 15.709 13.544 1.160 possible 920 128 . THR CA 3 C4H1s 0.770 1.880 6.366 29.857 13.025 2.292 possible 921 128 . THR C 1 C3H0s 0.770 1.610 2.492 8.196 8.685 0.944 [OK] 922 128 . THR O 16 O1H0u 0.660 1.420 2.542 20.624 15.795 1.306 [OK] 923 128 . THR CB 4 C4H1b 0.770 1.880 4.482 19.496 14.687 1.327 possible 924 128 . THR OG1 17 O2H1u 0.660 1.460 5.214 30.220 17.610 1.716 possible 925 128 . THR CG2 10 C4H3u 0.770 1.880 3.373 32.164 36.265 0.887 possible 926 129 . LYS N 12 N3H1s 0.700 1.640 5.384 22.696 13.429 1.690 possible 927 129 . LYS CA 3 C4H1s 0.770 1.880 3.240 16.407 13.217 1.241 possible 928 129 . LYS C 1 C3H0s 0.770 1.610 2.360 7.963 8.696 0.916 [OK] 929 129 . LYS O 16 O1H0u 0.660 1.420 3.501 29.454 15.818 1.862 possible 930 129 . LYS CB 8 C4H2s 0.770 1.880 5.227 45.853 22.578 2.031 possible 931 129 . LYS CG 8 C4H2s 0.770 1.880 4.007 27.834 22.847 1.218 possible 932 129 . LYS CD 8 C4H2s 0.770 1.880 7.204 70.955 23.365 3.037 possible 933 129 . LYS CE 9 C4H2b 0.770 1.880 24.596 -1.000 23.720 -1.000 bad 934 129 . LYS NZ 14 N4H3u 0.700 1.640 53.337 -1.000 21.413 -1.000 bad 935 130 . VAL N 12 N3H1s 0.700 1.640 2.984 14.954 13.553 1.103 [OK] 936 130 . VAL CA 3 C4H1s 0.770 1.880 3.634 17.130 13.078 1.310 possible 937 130 . VAL C 1 C3H0s 0.770 1.610 3.034 10.248 8.528 1.202 possible 938 130 . VAL O 16 O1H0u 0.660 1.420 2.852 22.008 15.998 1.376 [OK] 939 130 . VAL CB 4 C4H1b 0.770 1.880 3.359 15.908 14.514 1.096 possible 940 130 . VAL CG1 10 C4H3u 0.770 1.880 25.964 -1.000 36.320 -1.000 bad 941 130 . VAL CG2 10 C4H3u 0.770 1.880 19.086 -1.000 36.173 -1.000 bad 942 131 . TYR N 12 N3H1s 0.700 1.640 2.747 13.582 13.473 1.008 [OK] 943 131 . TYR CA 3 C4H1s 0.770 1.880 2.850 14.499 13.249 1.094 [OK] 944 131 . TYR C 1 C3H0s 0.770 1.610 3.632 10.579 8.714 1.214 possible 945 131 . TYR O 16 O1H0u 0.660 1.420 5.357 36.001 15.901 2.264 possible 946 131 . TYR CB 8 C4H2s 0.770 1.880 23.926 -1.000 23.426 -1.000 bad 947 131 . TYR CG 2 C3H0b 0.770 1.610 0.558 -1.000 9.695 -1.000 bad 948 131 . TYR CD1 5 C3H1s 0.770 1.760 12.354 -1.000 20.057 -1.000 bad 949 131 . TYR CD2 5 C3H1s 0.770 1.760 14.384 -1.000 20.578 -1.000 bad 950 131 . TYR CE1 5 C3H1s 0.770 1.760 28.491 -1.000 20.534 -1.000 bad 951 131 . TYR CE2 5 C3H1s 0.770 1.760 31.390 -1.000 20.577 -1.000 bad 952 131 . TYR CZ 2 C3H0b 0.770 1.610 3.284 -1.000 9.888 -1.000 bad 953 131 . TYR OH 17 O2H1u 0.660 1.460 48.250 -1.000 18.541 -1.000 bad 954 132 . SER N 12 N3H1s 0.700 1.640 5.560 23.314 13.808 1.688 possible 955 132 . SER CA 3 C4H1s 0.770 1.880 3.039 14.641 13.351 1.097 possible 956 132 . SER C 1 C3H0s 0.770 1.610 3.084 9.784 8.858 1.105 possible 957 132 . SER O 16 O1H0u 0.660 1.420 21.604 -1.000 15.860 -1.000 bad 958 132 . SER CB 8 C4H2s 0.770 1.880 38.107 -1.000 23.599 -1.000 bad 959 132 . SER OG 17 O2H1u 0.660 1.460 29.663 -1.000 18.021 -1.000 bad 960 133 . TYR N 12 N3H1s 0.700 1.640 3.401 19.644 13.473 1.458 possible 961 133 . TYR CA 3 C4H1s 0.770 1.880 4.632 20.821 13.249 1.572 possible 962 133 . TYR C 1 C3H0s 0.770 1.610 2.571 9.051 8.714 1.039 [OK] 963 133 . TYR O 16 O1H0u 0.660 1.420 2.150 13.610 15.901 0.856 [OK] 964 133 . TYR CB 8 C4H2s 0.770 1.880 12.174 -1.000 23.426 -1.000 bad 965 133 . TYR CG 2 C3H0b 0.770 1.610 4.325 14.583 9.695 1.504 possible 966 133 . TYR CD1 5 C3H1s 0.770 1.760 4.486 21.699 20.057 1.082 possible 967 133 . TYR CD2 5 C3H1s 0.770 1.760 15.946 -1.000 20.578 -1.000 bad 968 133 . TYR CE1 5 C3H1s 0.770 1.760 4.765 23.808 20.534 1.159 possible 969 133 . TYR CE2 5 C3H1s 0.770 1.760 18.189 -1.000 20.577 -1.000 bad 970 133 . TYR CZ 2 C3H0b 0.770 1.610 6.320 16.725 9.888 1.691 possible 971 133 . TYR OH 17 O2H1u 0.660 1.460 34.805 -1.000 18.541 -1.000 bad 972 134 . ARG N 12 N3H1s 0.700 1.640 3.073 14.458 13.486 1.072 possible 973 134 . ARG CA 3 C4H1s 0.770 1.880 2.570 13.681 13.310 1.028 [OK] 974 134 . ARG C 1 C3H0s 0.770 1.610 2.859 9.227 8.779 1.051 [OK] 975 134 . ARG O 16 O1H0u 0.660 1.420 2.850 18.534 15.916 1.164 [OK] 976 134 . ARG CB 8 C4H2s 0.770 1.880 3.257 29.327 22.833 1.284 possible 977 134 . ARG CG 8 C4H2s 0.770 1.880 3.303 26.033 23.273 1.119 possible 978 134 . ARG CD 8 C4H2s 0.770 1.880 3.627 31.654 22.849 1.385 possible 979 134 . ARG NE 13 N3H1b 0.700 1.640 2.941 18.204 15.019 1.212 [OK] 980 134 . ARG CZ 2 C3H0b 0.770 1.610 2.917 10.617 9.678 1.097 [OK] 981 134 . ARG NH1 15 N3H2u 0.700 1.640 4.131 29.316 22.056 1.329 possible 982 134 . ARG NH2 15 N3H2u 0.700 1.640 2.798 25.344 23.132 1.096 [OK] 983 135 . PHE N 12 N3H1s 0.700 1.640 2.722 13.780 13.524 1.019 [OK] 984 135 . PHE CA 3 C4H1s 0.770 1.880 2.921 12.486 13.371 0.934 [OK] 985 135 . PHE C 1 C3H0s 0.770 1.610 4.366 9.873 8.697 1.135 possible 986 135 . PHE O 16 O1H0u 0.660 1.420 7.051 29.894 15.961 1.873 possible 987 135 . PHE CB 8 C4H2s 0.770 1.880 22.554 -1.000 23.623 -1.000 bad 988 135 . PHE CG 2 C3H0b 0.770 1.610 0.489 -1.000 9.684 -1.000 bad 989 135 . PHE CD1 5 C3H1s 0.770 1.760 5.319 32.340 20.325 1.591 possible 990 135 . PHE CD2 6 C3H1b 0.770 1.760 9.121 -1.000 20.948 -1.000 bad 991 135 . PHE CE1 6 C3H1b 0.770 1.760 5.282 26.552 21.532 1.233 possible 992 135 . PHE CE2 6 C3H1b 0.770 1.760 19.187 -1.000 21.625 -1.000 bad 993 135 . PHE CZ 6 C3H1b 0.770 1.760 7.522 45.995 21.555 2.134 possible 994 136 . VAL N 12 N3H1s 0.700 1.640 4.559 17.944 13.553 1.324 possible 995 136 . VAL CA 3 C4H1s 0.770 1.880 4.616 17.438 13.078 1.333 possible 996 136 . VAL C 1 C3H0s 0.770 1.610 2.650 8.699 8.528 1.020 [OK] 997 136 . VAL O 16 O1H0u 0.660 1.420 3.626 18.108 15.998 1.132 possible 998 136 . VAL CB 4 C4H1b 0.770 1.880 4.277 16.226 14.514 1.118 possible 999 136 . VAL CG1 10 C4H3u 0.770 1.880 15.618 -1.000 36.320 -1.000 bad 1000 136 . VAL CG2 10 C4H3u 0.770 1.880 61.387 -1.000 36.173 -1.000 bad 1001 137 . TRP N 12 N3H1s 0.700 1.640 2.686 12.651 13.639 0.928 [OK] 1002 137 . TRP CA 3 C4H1s 0.770 1.880 2.817 13.922 13.323 1.045 [OK] 1003 137 . TRP C 1 C3H0s 0.770 1.610 2.933 9.064 8.687 1.043 [OK] 1004 137 . TRP O 16 O1H0u 0.660 1.420 2.404 13.165 15.797 0.833 [OK] 1005 137 . TRP CB 8 C4H2s 0.770 1.880 3.251 22.761 23.826 0.955 possible 1006 137 . TRP CG 2 C3H0b 0.770 1.610 2.531 9.879 9.915 0.996 [OK] 1007 137 . TRP CD1 5 C3H1s 0.770 1.760 2.650 20.270 20.597 0.984 [OK] 1008 137 . TRP CD2 2 C3H0b 0.770 1.610 2.774 10.263 10.068 1.019 [OK] 1009 137 . TRP NE1 13 N3H1b 0.700 1.640 4.191 23.916 16.723 1.430 possible 1010 137 . TRP CE2 2 C3H0b 0.770 1.610 3.218 10.431 9.848 1.059 possible 1011 137 . TRP CE3 6 C3H1b 0.770 1.760 3.052 20.412 20.383 1.001 possible 1012 137 . TRP CZ2 6 C3H1b 0.770 1.760 26.224 -1.000 20.931 -1.000 bad 1013 137 . TRP CZ3 6 C3H1b 0.770 1.760 15.511 -1.000 21.429 -1.000 bad 1014 137 . TRP CH2 6 C3H1b 0.770 1.760 32.957 -1.000 21.219 -1.000 bad 1015 138 . TRP N 12 N3H1s 0.700 1.640 3.234 14.980 13.639 1.098 possible 1016 138 . TRP CA 3 C4H1s 0.770 1.880 3.445 16.928 13.323 1.271 possible 1017 138 . TRP C 1 C3H0s 0.770 1.610 2.107 7.541 8.687 0.868 [OK] 1018 138 . TRP O 16 O1H0u 0.660 1.420 2.410 14.070 15.797 0.891 [OK] 1019 138 . TRP CB 8 C4H2s 0.770 1.880 2.970 22.035 23.826 0.925 [OK] 1020 138 . TRP CG 2 C3H0b 0.770 1.610 2.841 10.822 9.915 1.091 [OK] 1021 138 . TRP CD1 5 C3H1s 0.770 1.760 2.949 18.938 20.597 0.919 [OK] 1022 138 . TRP CD2 2 C3H0b 0.770 1.610 2.721 11.176 10.068 1.110 [OK] 1023 138 . TRP NE1 13 N3H1b 0.700 1.640 2.816 19.701 16.723 1.178 [OK] 1024 138 . TRP CE2 2 C3H0b 0.770 1.610 2.610 10.486 9.848 1.065 [OK] 1025 138 . TRP CE3 6 C3H1b 0.770 1.760 3.821 25.236 20.383 1.238 possible 1026 138 . TRP CZ2 6 C3H1b 0.770 1.760 4.782 33.860 20.931 1.618 possible 1027 138 . TRP CZ3 6 C3H1b 0.770 1.760 24.379 -1.000 21.429 -1.000 bad 1028 138 . TRP CH2 6 C3H1b 0.770 1.760 19.220 -1.000 21.219 -1.000 bad 1029 139 . ALA N 12 N3H1s 0.700 1.640 2.250 11.451 13.872 0.825 [OK] 1030 139 . ALA CA 4 C4H1b 0.770 1.880 3.724 16.328 13.959 1.170 possible 1031 139 . ALA C 1 C3H0s 0.770 1.610 3.752 9.442 8.858 1.066 possible 1032 139 . ALA O 16 O1H0u 0.660 1.420 7.286 34.737 16.026 2.168 possible 1033 139 . ALA CB 10 C4H3u 0.770 1.880 40.346 -1.000 36.551 -1.000 bad 1034 140 . ILE N 12 N3H1s 0.700 1.640 3.125 12.406 13.493 0.919 possible 1035 140 . ILE CA 3 C4H1s 0.770 1.880 3.826 15.919 12.946 1.230 possible 1036 140 . ILE C 1 C3H0s 0.770 1.610 2.635 8.289 8.445 0.982 [OK] 1037 140 . ILE O 16 O1H0u 0.660 1.420 3.850 18.647 15.930 1.171 possible 1038 140 . ILE CB 4 C4H1b 0.770 1.880 2.611 14.099 14.146 0.997 [OK] 1039 140 . ILE CG1 9 C4H2b 0.770 1.880 20.375 -1.000 24.071 -1.000 bad 1040 140 . ILE CG2 10 C4H3u 0.770 1.880 17.928 -1.000 35.763 -1.000 bad 1041 140 . ILE CD1 10 C4H3u 0.770 1.880 40.280 -1.000 38.219 -1.000 bad 1042 141 . SER N 12 N3H1s 0.700 1.640 2.696 12.480 13.808 0.904 [OK] 1043 141 . SER CA 3 C4H1s 0.770 1.880 3.007 17.002 13.351 1.273 possible 1044 141 . SER C 1 C3H0s 0.770 1.610 2.253 8.385 8.858 0.947 [OK] 1045 141 . SER O 16 O1H0u 0.660 1.420 2.317 15.263 15.860 0.962 [OK] 1046 141 . SER CB 8 C4H2s 0.770 1.880 3.022 22.344 23.599 0.947 possible 1047 141 . SER OG 17 O2H1u 0.660 1.460 2.935 22.044 18.021 1.223 [OK] 1048 142 . THR N 12 N3H1s 0.700 1.640 2.573 12.268 13.544 0.906 [OK] 1049 142 . THR CA 3 C4H1s 0.770 1.880 3.476 17.259 13.025 1.325 possible 1050 142 . THR C 1 C3H0s 0.770 1.610 2.802 8.251 8.685 0.950 [OK] 1051 142 . THR O 16 O1H0u 0.660 1.420 3.451 19.459 15.795 1.232 possible 1052 142 . THR CB 4 C4H1b 0.770 1.880 3.106 13.387 14.687 0.911 possible 1053 142 . THR OG1 17 O2H1u 0.660 1.460 3.239 23.556 17.610 1.338 possible 1054 142 . THR CG2 10 C4H3u 0.770 1.880 51.727 -1.000 36.265 -1.000 bad 1055 143 . ALA N 12 N3H1s 0.700 1.640 3.675 14.160 13.872 1.021 possible 1056 143 . ALA CA 4 C4H1b 0.770 1.880 6.253 29.064 13.959 2.082 possible 1057 143 . ALA C 1 C3H0s 0.770 1.610 4.247 9.845 8.858 1.111 possible 1058 143 . ALA O 16 O1H0u 0.660 1.420 4.444 25.028 16.026 1.562 possible 1059 143 . ALA CB 10 C4H3u 0.770 1.880 48.583 -1.000 36.551 -1.000 bad 1060 144 . ALA N 12 N3H1s 0.700 1.640 4.987 17.872 13.872 1.288 possible 1061 144 . ALA CA 4 C4H1b 0.770 1.880 6.205 27.554 13.959 1.974 possible 1062 144 . ALA C 1 C3H0s 0.770 1.610 2.646 8.813 8.858 0.995 [OK] 1063 144 . ALA O 16 O1H0u 0.660 1.420 2.637 16.162 16.026 1.009 [OK] 1064 144 . ALA CB 10 C4H3u 0.770 1.880 4.248 40.705 36.551 1.114 possible 1065 145 . MET N 12 N3H1s 0.700 1.640 2.436 12.940 13.405 0.965 [OK] 1066 145 . MET CA 3 C4H1s 0.770 1.880 2.923 13.917 13.194 1.055 [OK] 1067 145 . MET C 1 C3H0s 0.770 1.610 2.573 7.715 8.756 0.881 [OK] 1068 145 . MET O 16 O1H0u 0.660 1.420 2.619 13.829 16.002 0.864 [OK] 1069 145 . MET CB 8 C4H2s 0.770 1.880 3.113 21.148 23.418 0.903 possible 1070 145 . MET CG 9 C4H2b 0.770 1.880 3.073 24.012 23.830 1.008 possible 1071 145 . MET SD 19 S2H0u 1.040 1.770 3.707 31.486 30.207 1.042 possible 1072 145 . MET CE 10 C4H3u 0.770 1.880 6.402 68.539 37.003 1.852 possible 1073 146 . LEU N 12 N3H1s 0.700 1.640 3.202 13.841 13.517 1.024 possible 1074 146 . LEU CA 3 C4H1s 0.770 1.880 3.359 15.144 13.055 1.160 possible 1075 146 . LEU C 1 C3H0s 0.770 1.610 2.424 7.815 8.781 0.890 [OK] 1076 146 . LEU O 16 O1H0u 0.660 1.420 2.678 15.114 15.957 0.947 [OK] 1077 146 . LEU CB 8 C4H2s 0.770 1.880 3.985 27.297 22.818 1.196 possible 1078 146 . LEU CG 4 C4H1b 0.770 1.880 15.381 -1.000 14.704 -1.000 bad 1079 146 . LEU CD1 10 C4H3u 0.770 1.880 29.779 -1.000 37.235 -1.000 bad 1080 146 . LEU CD2 10 C4H3u 0.770 1.880 40.533 -1.000 37.020 -1.000 bad 1081 147 . TYR N 12 N3H1s 0.700 1.640 3.292 13.894 13.473 1.031 possible 1082 147 . TYR CA 3 C4H1s 0.770 1.880 3.225 15.036 13.249 1.135 possible 1083 147 . TYR C 1 C3H0s 0.770 1.610 2.737 8.294 8.714 0.952 [OK] 1084 147 . TYR O 16 O1H0u 0.660 1.420 2.725 14.557 15.901 0.915 [OK] 1085 147 . TYR CB 8 C4H2s 0.770 1.880 5.475 37.204 23.426 1.588 possible 1086 147 . TYR CG 2 C3H0b 0.770 1.610 7.023 19.180 9.695 1.978 possible 1087 147 . TYR CD1 5 C3H1s 0.770 1.760 20.662 -1.000 20.057 -1.000 bad 1088 147 . TYR CD2 5 C3H1s 0.770 1.760 6.807 31.011 20.578 1.507 possible 1089 147 . TYR CE1 5 C3H1s 0.770 1.760 32.473 -1.000 20.534 -1.000 bad 1090 147 . TYR CE2 5 C3H1s 0.770 1.760 17.431 -1.000 20.577 -1.000 bad 1091 147 . TYR CZ 2 C3H0b 0.770 1.610 1.894 -1.000 9.888 -1.000 bad 1092 147 . TYR OH 17 O2H1u 0.660 1.460 47.255 -1.000 18.541 -1.000 bad 1093 148 . ILE N 12 N3H1s 0.700 1.640 2.963 13.423 13.493 0.995 [OK] 1094 148 . ILE CA 3 C4H1s 0.770 1.880 3.501 18.840 12.946 1.455 possible 1095 148 . ILE C 1 C3H0s 0.770 1.610 2.752 7.912 8.445 0.937 [OK] 1096 148 . ILE O 16 O1H0u 0.660 1.420 2.816 16.757 15.930 1.052 [OK] 1097 148 . ILE CB 4 C4H1b 0.770 1.880 3.105 14.089 14.146 0.996 possible 1098 148 . ILE CG1 9 C4H2b 0.770 1.880 3.283 29.239 24.071 1.215 possible 1099 148 . ILE CG2 10 C4H3u 0.770 1.880 3.243 39.315 35.763 1.099 possible 1100 148 . ILE CD1 10 C4H3u 0.770 1.880 2.994 36.900 38.219 0.965 [OK] 1101 149 . LEU N 12 N3H1s 0.700 1.640 2.789 11.669 13.517 0.863 [OK] 1102 149 . LEU CA 3 C4H1s 0.770 1.880 3.142 15.070 13.055 1.154 possible 1103 149 . LEU C 1 C3H0s 0.770 1.610 2.421 8.609 8.781 0.980 [OK] 1104 149 . LEU O 16 O1H0u 0.660 1.420 3.226 16.564 15.957 1.038 possible 1105 149 . LEU CB 8 C4H2s 0.770 1.880 3.496 27.148 22.818 1.190 possible 1106 149 . LEU CG 4 C4H1b 0.770 1.880 3.247 17.443 14.704 1.186 possible 1107 149 . LEU CD1 10 C4H3u 0.770 1.880 3.199 42.155 37.235 1.132 possible 1108 149 . LEU CD2 10 C4H3u 0.770 1.880 5.508 65.943 37.020 1.781 possible 1109 150 . TYR N 12 N3H1s 0.700 1.640 2.878 13.565 13.473 1.007 [OK] 1110 150 . TYR CA 3 C4H1s 0.770 1.880 2.724 12.218 13.249 0.922 [OK] 1111 150 . TYR C 1 C3H0s 0.770 1.610 3.412 9.318 8.714 1.069 possible 1112 150 . TYR O 16 O1H0u 0.660 1.420 3.747 20.750 15.901 1.305 possible 1113 150 . TYR CB 8 C4H2s 0.770 1.880 3.654 28.743 23.426 1.227 possible 1114 150 . TYR CG 2 C3H0b 0.770 1.610 4.096 12.637 9.695 1.303 possible 1115 150 . TYR CD1 5 C3H1s 0.770 1.760 6.574 55.864 20.057 2.785 possible 1116 150 . TYR CD2 5 C3H1s 0.770 1.760 4.638 26.895 20.578 1.307 possible 1117 150 . TYR CE1 5 C3H1s 0.770 1.760 29.142 -1.000 20.534 -1.000 bad 1118 150 . TYR CE2 5 C3H1s 0.770 1.760 24.503 -1.000 20.577 -1.000 bad 1119 150 . TYR CZ 2 C3H0b 0.770 1.610 6.152 19.533 9.888 1.975 possible 1120 150 . TYR OH 17 O2H1u 0.660 1.460 48.674 -1.000 18.541 -1.000 bad 1121 151 . VAL N 12 N3H1s 0.700 1.640 3.192 12.561 13.553 0.927 possible 1122 151 . VAL CA 3 C4H1s 0.770 1.880 4.051 16.168 13.078 1.236 possible 1123 151 . VAL C 1 C3H0s 0.770 1.610 2.656 8.895 8.528 1.043 [OK] 1124 151 . VAL O 16 O1H0u 0.660 1.420 3.245 19.810 15.998 1.238 possible 1125 151 . VAL CB 4 C4H1b 0.770 1.880 3.437 16.296 14.514 1.123 possible 1126 151 . VAL CG1 10 C4H3u 0.770 1.880 5.227 57.398 36.320 1.580 possible 1127 151 . VAL CG2 10 C4H3u 0.770 1.880 5.389 65.225 36.173 1.803 possible 1128 152 . LEU N 12 N3H1s 0.700 1.640 2.576 11.798 13.517 0.873 [OK] 1129 152 . LEU CA 3 C4H1s 0.770 1.880 3.364 14.569 13.055 1.116 possible 1130 152 . LEU C 1 C3H0s 0.770 1.610 3.739 10.283 8.781 1.171 possible 1131 152 . LEU O 16 O1H0u 0.660 1.420 3.427 20.880 15.957 1.309 possible 1132 152 . LEU CB 8 C4H2s 0.770 1.880 3.921 29.116 22.818 1.276 possible 1133 152 . LEU CG 4 C4H1b 0.770 1.880 3.773 19.952 14.704 1.357 possible 1134 152 . LEU CD1 10 C4H3u 0.770 1.880 3.938 42.319 37.235 1.137 possible 1135 152 . LEU CD2 10 C4H3u 0.770 1.880 3.381 49.259 37.020 1.331 possible 1136 153 . PHE N 12 N3H1s 0.700 1.640 3.771 13.544 13.524 1.001 possible 1137 153 . PHE CA 3 C4H1s 0.770 1.880 4.271 23.986 13.371 1.794 possible 1138 153 . PHE C 1 C3H0s 0.770 1.610 3.237 8.771 8.697 1.009 possible 1139 153 . PHE O 16 O1H0u 0.660 1.420 3.518 17.575 15.961 1.101 possible 1140 153 . PHE CB 8 C4H2s 0.770 1.880 7.256 59.344 23.623 2.512 possible 1141 153 . PHE CG 2 C3H0b 0.770 1.610 0.402 -1.000 9.684 -1.000 bad 1142 153 . PHE CD1 5 C3H1s 0.770 1.760 15.128 -1.000 20.325 -1.000 bad 1143 153 . PHE CD2 6 C3H1b 0.770 1.760 12.641 -1.000 20.948 -1.000 bad 1144 153 . PHE CE1 6 C3H1b 0.770 1.760 7.012 63.933 21.532 2.969 possible 1145 153 . PHE CE2 6 C3H1b 0.770 1.760 11.773 -1.000 21.625 -1.000 bad 1146 153 . PHE CZ 6 C3H1b 0.770 1.760 21.162 -1.000 21.555 -1.000 bad 1147 154 . PHE N 12 N3H1s 0.700 1.640 4.831 17.695 13.524 1.308 possible 1148 154 . PHE CA 3 C4H1s 0.770 1.880 5.348 20.174 13.371 1.509 possible 1149 154 . PHE C 1 C3H0s 0.770 1.610 2.233 7.672 8.697 0.882 [OK] 1150 154 . PHE O 16 O1H0u 0.660 1.420 2.543 13.958 15.961 0.875 [OK] 1151 154 . PHE CB 8 C4H2s 0.770 1.880 7.194 67.409 23.623 2.854 possible 1152 154 . PHE CG 2 C3H0b 0.770 1.610 6.389 17.839 9.684 1.842 possible 1153 154 . PHE CD1 5 C3H1s 0.770 1.760 18.056 -1.000 20.325 -1.000 bad 1154 154 . PHE CD2 6 C3H1b 0.770 1.760 6.658 33.319 20.948 1.591 possible 1155 154 . PHE CE1 6 C3H1b 0.770 1.760 23.387 -1.000 21.532 -1.000 bad 1156 154 . PHE CE2 6 C3H1b 0.770 1.760 6.766 30.945 21.625 1.431 possible 1157 154 . PHE CZ 6 C3H1b 0.770 1.760 19.037 -1.000 21.555 -1.000 bad 1158 155 . GLY N 12 N3H1s 0.700 1.640 2.698 12.767 14.480 0.882 [OK] 1159 155 . GLY CA 8 C4H2s 0.770 1.880 3.939 47.681 23.470 2.032 possible 1160 155 . GLY C 2 C3H0b 0.770 1.610 2.888 9.918 9.652 1.028 [OK] 1161 155 . GLY O 16 O1H0u 0.660 1.420 3.240 20.292 16.154 1.256 possible 1162 156 . PHE N 12 N3H1s 0.700 1.640 2.596 13.317 13.524 0.985 [OK] 1163 156 . PHE CA 3 C4H1s 0.770 1.880 3.719 15.634 13.371 1.169 possible 1164 156 . PHE C 1 C3H0s 0.770 1.610 2.325 7.853 8.697 0.903 [OK] 1165 156 . PHE O 16 O1H0u 0.660 1.420 3.806 31.254 15.961 1.958 possible 1166 156 . PHE CB 8 C4H2s 0.770 1.880 3.649 27.220 23.623 1.152 possible 1167 156 . PHE CG 2 C3H0b 0.770 1.610 2.592 8.827 9.684 0.912 [OK] 1168 156 . PHE CD1 5 C3H1s 0.770 1.760 4.228 27.199 20.325 1.338 possible 1169 156 . PHE CD2 6 C3H1b 0.770 1.760 6.063 34.201 20.948 1.633 possible 1170 156 . PHE CE1 6 C3H1b 0.770 1.760 3.954 37.520 21.532 1.743 possible 1171 156 . PHE CE2 6 C3H1b 0.770 1.760 28.469 -1.000 21.625 -1.000 bad 1172 156 . PHE CZ 6 C3H1b 0.770 1.760 4.742 31.715 21.555 1.471 possible 1173 157 . THR N 12 N3H1s 0.700 1.640 2.439 12.091 13.544 0.893 [OK] 1174 157 . THR CA 3 C4H1s 0.770 1.880 4.913 19.824 13.025 1.522 possible 1175 157 . THR C 1 C3H0s 0.770 1.610 2.717 7.759 8.685 0.893 [OK] 1176 157 . THR O 16 O1H0u 0.660 1.420 19.945 -1.000 15.795 -1.000 bad 1177 157 . THR CB 4 C4H1b 0.770 1.880 3.536 14.819 14.687 1.009 possible 1178 157 . THR OG1 17 O2H1u 0.660 1.460 21.035 -1.000 17.610 -1.000 bad 1179 157 . THR CG2 10 C4H3u 0.770 1.880 57.287 -1.000 36.265 -1.000 bad 1180 158 . SER N 12 N3H1s 0.700 1.640 2.963 13.965 13.808 1.011 [OK] 1181 158 . SER CA 3 C4H1s 0.770 1.880 8.654 -1.000 13.351 -1.000 bad 1182 158 . SER C 1 C3H0s 0.770 1.610 2.438 9.002 8.858 1.016 [OK] 1183 158 . SER O 16 O1H0u 0.660 1.420 3.030 21.393 15.860 1.349 possible 1184 158 . SER CB 8 C4H2s 0.770 1.880 5.789 30.637 23.599 1.298 possible 1185 158 . SER OG 17 O2H1u 0.660 1.460 20.701 -1.000 18.021 -1.000 bad 1186 159 . LYS N 12 N3H1s 0.700 1.640 6.172 24.078 13.429 1.793 possible 1187 159 . LYS CA 3 C4H1s 0.770 1.880 4.155 18.299 13.217 1.384 possible 1188 159 . LYS C 1 C3H0s 0.770 1.610 2.528 8.536 8.696 0.982 [OK] 1189 159 . LYS O 16 O1H0u 0.660 1.420 3.590 27.295 15.818 1.726 possible 1190 159 . LYS CB 8 C4H2s 0.770 1.880 15.660 -1.000 22.578 -1.000 bad 1191 159 . LYS CG 8 C4H2s 0.770 1.880 4.544 43.055 22.847 1.885 possible 1192 159 . LYS CD 8 C4H2s 0.770 1.880 29.457 -1.000 23.365 -1.000 bad 1193 159 . LYS CE 9 C4H2b 0.770 1.880 5.100 46.345 23.720 1.954 possible 1194 159 . LYS NZ 14 N4H3u 0.700 1.640 46.137 -1.000 21.413 -1.000 bad 1195 160 . ALA N 12 N3H1s 0.700 1.640 6.676 -1.000 13.872 -1.000 bad 1196 160 . ALA CA 4 C4H1b 0.770 1.880 18.356 -1.000 13.959 -1.000 bad 1197 160 . ALA C 1 C3H0s 0.770 1.610 1.585 -1.000 8.858 -1.000 bad 1198 160 . ALA O 16 O1H0u 0.660 1.420 10.647 -1.000 16.026 -1.000 bad 1199 160 . ALA CB 10 C4H3u 0.770 1.880 38.254 -1.000 36.551 -1.000 bad 1200 161 . GLU N 12 N3H1s 0.700 1.640 6.434 24.540 13.461 1.823 possible 1201 161 . GLU CA 3 C4H1s 0.770 1.880 8.042 -1.000 13.284 -1.000 bad 1202 161 . GLU C 1 C3H0s 0.770 1.610 3.482 9.655 8.631 1.119 possible 1203 161 . GLU O 16 O1H0u 0.660 1.420 4.200 42.474 15.765 2.694 possible 1204 161 . GLU CB 8 C4H2s 0.770 1.880 5.333 55.008 23.214 2.370 possible 1205 161 . GLU CG 8 C4H2s 0.770 1.880 37.527 -1.000 23.304 -1.000 bad 1206 161 . GLU CD 2 C3H0b 0.770 1.610 3.319 -1.000 9.437 -1.000 bad 1207 161 . GLU OE1 16 O1H0u 0.660 1.420 7.651 94.286 15.497 6.084 possible 1208 161 . GLU OE2 16 O1H0u 0.660 1.420 45.503 -1.000 16.213 -1.000 bad 1209 162 . SER N 12 N3H1s 0.700 1.640 4.614 22.993 13.808 1.665 possible 1210 162 . SER CA 3 C4H1s 0.770 1.880 4.093 19.271 13.351 1.443 possible 1211 162 . SER C 1 C3H0s 0.770 1.610 3.244 10.261 8.858 1.158 possible 1212 162 . SER O 16 O1H0u 0.660 1.420 27.900 -1.000 15.860 -1.000 bad 1213 162 . SER CB 8 C4H2s 0.770 1.880 4.374 45.213 23.599 1.916 possible 1214 162 . SER OG 17 O2H1u 0.660 1.460 16.925 -1.000 18.021 -1.000 bad 1215 163 . MET N 12 N3H1s 0.700 1.640 4.043 21.366 13.405 1.594 possible 1216 163 . MET CA 3 C4H1s 0.770 1.880 7.467 -1.000 13.194 -1.000 bad 1217 163 . MET C 1 C3H0s 0.770 1.610 1.950 -1.000 8.756 -1.000 bad 1218 163 . MET O 16 O1H0u 0.660 1.420 25.517 -1.000 16.002 -1.000 bad 1219 163 . MET CB 8 C4H2s 0.770 1.880 8.159 -1.000 23.418 -1.000 bad 1220 163 . MET CG 9 C4H2b 0.770 1.880 21.624 -1.000 23.830 -1.000 bad 1221 163 . MET SD 19 S2H0u 1.040 1.770 36.558 -1.000 30.207 -1.000 bad 1222 163 . MET CE 10 C4H3u 0.770 1.880 66.367 -1.000 37.003 -1.000 bad 1223 164 . ARG N 12 N3H1s 0.700 1.640 4.445 17.845 13.486 1.323 possible 1224 164 . ARG CA 3 C4H1s 0.770 1.880 7.987 24.939 13.310 1.874 possible 1225 164 . ARG C 1 C3H0s 0.770 1.610 3.205 9.991 8.779 1.138 possible 1226 164 . ARG O 16 O1H0u 0.660 1.420 3.571 23.466 15.916 1.474 possible 1227 164 . ARG CB 8 C4H2s 0.770 1.880 3.315 26.474 22.833 1.159 possible 1228 164 . ARG CG 8 C4H2s 0.770 1.880 19.423 -1.000 23.273 -1.000 bad 1229 164 . ARG CD 8 C4H2s 0.770 1.880 5.694 45.956 22.849 2.011 possible 1230 164 . ARG NE 13 N3H1b 0.700 1.640 15.074 -1.000 15.019 -1.000 bad 1231 164 . ARG CZ 2 C3H0b 0.770 1.610 3.840 -1.000 9.678 -1.000 bad 1232 164 . ARG NH1 15 N3H2u 0.700 1.640 44.892 -1.000 22.056 -1.000 bad 1233 164 . ARG NH2 15 N3H2u 0.700 1.640 58.770 -1.000 23.132 -1.000 bad 1234 165 . PRO N 11 N3H0u 0.700 1.640 4.302 11.119 8.650 1.285 possible 1235 165 . PRO CA 4 C4H1b 0.770 1.880 4.925 25.719 13.828 1.860 possible 1236 165 . PRO C 1 C3H0s 0.770 1.610 3.609 10.022 8.768 1.143 possible 1237 165 . PRO O 16 O1H0u 0.660 1.420 4.043 23.073 15.856 1.455 possible 1238 165 . PRO CB 9 C4H2b 0.770 1.880 40.346 -1.000 25.314 -1.000 bad 1239 165 . PRO CG 9 C4H2b 0.770 1.880 26.652 -1.000 25.480 -1.000 bad 1240 165 . PRO CD 8 C4H2s 0.770 1.880 17.370 -1.000 23.390 -1.000 bad 1241 166 . GLU N 12 N3H1s 0.700 1.640 3.535 14.997 13.461 1.114 possible 1242 166 . GLU CA 3 C4H1s 0.770 1.880 3.778 18.763 13.284 1.412 possible 1243 166 . GLU C 1 C3H0s 0.770 1.610 2.823 8.737 8.631 1.012 [OK] 1244 166 . GLU O 16 O1H0u 0.660 1.420 3.164 19.236 15.765 1.220 possible 1245 166 . GLU CB 8 C4H2s 0.770 1.880 3.898 37.741 23.214 1.626 possible 1246 166 . GLU CG 8 C4H2s 0.770 1.880 33.021 -1.000 23.304 -1.000 bad 1247 166 . GLU CD 2 C3H0b 0.770 1.610 3.366 -1.000 9.437 -1.000 bad 1248 166 . GLU OE1 16 O1H0u 0.660 1.420 21.183 -1.000 15.497 -1.000 bad 1249 166 . GLU OE2 16 O1H0u 0.660 1.420 31.942 -1.000 16.213 -1.000 bad 1250 167 . VAL N 12 N3H1s 0.700 1.640 2.944 15.100 13.553 1.114 [OK] 1251 167 . VAL CA 3 C4H1s 0.770 1.880 3.039 15.676 13.078 1.199 possible 1252 167 . VAL C 1 C3H0s 0.770 1.610 3.419 9.083 8.528 1.065 possible 1253 167 . VAL O 16 O1H0u 0.660 1.420 3.309 19.701 15.998 1.231 possible 1254 167 . VAL CB 4 C4H1b 0.770 1.880 3.575 17.864 14.514 1.231 possible 1255 167 . VAL CG1 10 C4H3u 0.770 1.880 4.291 70.578 36.320 1.943 possible 1256 167 . VAL CG2 10 C4H3u 0.770 1.880 4.281 58.064 36.173 1.605 possible 1257 168 . ALA N 12 N3H1s 0.700 1.640 3.484 13.736 13.872 0.990 possible 1258 168 . ALA CA 4 C4H1b 0.770 1.880 4.497 27.013 13.959 1.935 possible 1259 168 . ALA C 1 C3H0s 0.770 1.610 2.889 9.197 8.858 1.038 [OK] 1260 168 . ALA O 16 O1H0u 0.660 1.420 3.287 22.344 16.026 1.394 possible 1261 168 . ALA CB 10 C4H3u 0.770 1.880 4.513 75.695 36.551 2.071 possible 1262 169 . SER N 12 N3H1s 0.700 1.640 3.970 16.929 13.808 1.226 possible 1263 169 . SER CA 3 C4H1s 0.770 1.880 3.807 18.727 13.351 1.403 possible 1264 169 . SER C 1 C3H0s 0.770 1.610 2.426 8.674 8.858 0.979 [OK] 1265 169 . SER O 16 O1H0u 0.660 1.420 2.771 16.790 15.860 1.059 [OK] 1266 169 . SER CB 8 C4H2s 0.770 1.880 4.262 42.392 23.599 1.796 possible 1267 169 . SER OG 17 O2H1u 0.660 1.460 3.182 19.671 18.021 1.092 possible 1268 170 . THR N 12 N3H1s 0.700 1.640 2.843 14.069 13.544 1.039 [OK] 1269 170 . THR CA 3 C4H1s 0.770 1.880 2.933 14.462 13.025 1.110 [OK] 1270 170 . THR C 1 C3H0s 0.770 1.610 2.416 7.786 8.685 0.896 [OK] 1271 170 . THR O 16 O1H0u 0.660 1.420 2.138 12.698 15.795 0.804 [OK] 1272 170 . THR CB 4 C4H1b 0.770 1.880 2.999 15.606 14.687 1.063 [OK] 1273 170 . THR OG1 17 O2H1u 0.660 1.460 3.160 24.981 17.610 1.419 possible 1274 170 . THR CG2 10 C4H3u 0.770 1.880 3.043 33.606 36.265 0.927 possible 1275 171 . PHE N 12 N3H1s 0.700 1.640 2.593 13.675 13.524 1.011 [OK] 1276 171 . PHE CA 3 C4H1s 0.770 1.880 3.012 14.738 13.371 1.102 possible 1277 171 . PHE C 1 C3H0s 0.770 1.610 2.144 7.669 8.697 0.882 [OK] 1278 171 . PHE O 16 O1H0u 0.660 1.420 2.614 14.598 15.961 0.915 [OK] 1279 171 . PHE CB 8 C4H2s 0.770 1.880 4.020 29.493 23.623 1.249 possible 1280 171 . PHE CG 2 C3H0b 0.770 1.610 3.497 10.451 9.684 1.079 possible 1281 171 . PHE CD1 5 C3H1s 0.770 1.760 3.100 26.631 20.325 1.310 possible 1282 171 . PHE CD2 6 C3H1b 0.770 1.760 4.482 29.362 20.948 1.402 possible 1283 171 . PHE CE1 6 C3H1b 0.770 1.760 3.720 36.120 21.532 1.677 possible 1284 171 . PHE CE2 6 C3H1b 0.770 1.760 3.173 18.143 21.625 0.839 possible 1285 171 . PHE CZ 6 C3H1b 0.770 1.760 3.172 27.330 21.555 1.268 possible 1286 172 . LYS N 12 N3H1s 0.700 1.640 2.895 12.705 13.429 0.946 [OK] 1287 172 . LYS CA 3 C4H1s 0.770 1.880 3.111 13.900 13.217 1.052 possible 1288 172 . LYS C 1 C3H0s 0.770 1.610 2.664 8.174 8.696 0.940 [OK] 1289 172 . LYS O 16 O1H0u 0.660 1.420 2.469 14.344 15.818 0.907 [OK] 1290 172 . LYS CB 8 C4H2s 0.770 1.880 3.521 27.479 22.578 1.217 possible 1291 172 . LYS CG 8 C4H2s 0.770 1.880 3.217 23.519 22.847 1.029 possible 1292 172 . LYS CD 8 C4H2s 0.770 1.880 3.724 39.252 23.365 1.680 possible 1293 172 . LYS CE 9 C4H2b 0.770 1.880 3.077 23.744 23.720 1.001 possible 1294 172 . LYS NZ 14 N4H3u 0.700 1.640 3.232 36.482 21.413 1.704 possible 1295 173 . VAL N 12 N3H1s 0.700 1.640 3.033 13.755 13.553 1.015 possible 1296 173 . VAL CA 3 C4H1s 0.770 1.880 3.611 15.630 13.078 1.195 possible 1297 173 . VAL C 1 C3H0s 0.770 1.610 2.266 8.707 8.528 1.021 [OK] 1298 173 . VAL O 16 O1H0u 0.660 1.420 2.697 15.545 15.998 0.972 [OK] 1299 173 . VAL CB 4 C4H1b 0.770 1.880 3.511 19.822 14.514 1.366 possible 1300 173 . VAL CG1 10 C4H3u 0.770 1.880 2.971 28.903 36.320 0.796 [OK] 1301 173 . VAL CG2 10 C4H3u 0.770 1.880 3.623 38.812 36.173 1.073 possible 1302 174 . LEU N 12 N3H1s 0.700 1.640 2.309 11.875 13.517 0.879 [OK] 1303 174 . LEU CA 3 C4H1s 0.770 1.880 3.378 16.320 13.055 1.250 possible 1304 174 . LEU C 1 C3H0s 0.770 1.610 2.526 8.354 8.781 0.951 [OK] 1305 174 . LEU O 16 O1H0u 0.660 1.420 2.899 16.935 15.957 1.061 [OK] 1306 174 . LEU CB 8 C4H2s 0.770 1.880 2.817 18.702 22.818 0.820 [OK] 1307 174 . LEU CG 4 C4H1b 0.770 1.880 3.316 16.547 14.704 1.125 possible 1308 174 . LEU CD1 10 C4H3u 0.770 1.880 3.249 40.373 37.235 1.084 possible 1309 174 . LEU CD2 10 C4H3u 0.770 1.880 3.381 37.595 37.020 1.016 possible 1310 175 . ARG N 12 N3H1s 0.700 1.640 2.983 13.860 13.486 1.028 [OK] 1311 175 . ARG CA 3 C4H1s 0.770 1.880 3.382 17.130 13.310 1.287 possible 1312 175 . ARG C 1 C3H0s 0.770 1.610 2.917 8.763 8.779 0.998 [OK] 1313 175 . ARG O 16 O1H0u 0.660 1.420 3.136 17.126 15.916 1.076 possible 1314 175 . ARG CB 8 C4H2s 0.770 1.880 4.118 35.726 22.833 1.565 possible 1315 175 . ARG CG 8 C4H2s 0.770 1.880 3.913 20.967 23.273 0.901 possible 1316 175 . ARG CD 8 C4H2s 0.770 1.880 4.674 37.367 22.849 1.635 possible 1317 175 . ARG NE 13 N3H1b 0.700 1.640 3.085 16.501 15.019 1.099 possible 1318 175 . ARG CZ 2 C3H0b 0.770 1.610 3.031 10.814 9.678 1.117 possible 1319 175 . ARG NH1 15 N3H2u 0.700 1.640 5.903 56.851 22.056 2.578 possible 1320 175 . ARG NH2 15 N3H2u 0.700 1.640 3.672 30.387 23.132 1.314 possible 1321 176 . ASN N 12 N3H1s 0.700 1.640 2.669 12.426 13.525 0.919 [OK] 1322 176 . ASN CA 3 C4H1s 0.770 1.880 3.511 18.087 13.052 1.386 possible 1323 176 . ASN C 1 C3H0s 0.770 1.610 2.978 9.634 8.853 1.088 [OK] 1324 176 . ASN O 16 O1H0u 0.660 1.420 3.002 16.386 15.857 1.033 possible 1325 176 . ASN CB 8 C4H2s 0.770 1.880 3.581 32.208 22.756 1.415 possible 1326 176 . ASN CG 2 C3H0b 0.770 1.610 3.025 10.137 9.537 1.063 possible 1327 176 . ASN OD1 16 O1H0u 0.660 1.420 3.698 26.670 16.247 1.642 possible 1328 176 . ASN ND2 15 N3H2u 0.700 1.640 3.362 32.077 22.525 1.424 possible 1329 177 . VAL N 12 N3H1s 0.700 1.640 2.880 14.235 13.553 1.050 [OK] 1330 177 . VAL CA 3 C4H1s 0.770 1.880 3.333 16.857 13.078 1.289 possible 1331 177 . VAL C 1 C3H0s 0.770 1.610 2.891 8.017 8.528 0.940 [OK] 1332 177 . VAL O 16 O1H0u 0.660 1.420 2.807 13.664 15.998 0.854 [OK] 1333 177 . VAL CB 4 C4H1b 0.770 1.880 3.395 15.754 14.514 1.085 possible 1334 177 . VAL CG1 10 C4H3u 0.770 1.880 3.867 57.887 36.320 1.594 possible 1335 177 . VAL CG2 10 C4H3u 0.770 1.880 3.924 40.453 36.173 1.118 possible 1336 178 . THR N 12 N3H1s 0.700 1.640 3.143 14.587 13.544 1.077 possible 1337 178 . THR CA 3 C4H1s 0.770 1.880 3.558 16.931 13.025 1.300 possible 1338 178 . THR C 1 C3H0s 0.770 1.610 2.702 7.794 8.685 0.897 [OK] 1339 178 . THR O 16 O1H0u 0.660 1.420 2.583 13.359 15.795 0.846 [OK] 1340 178 . THR CB 4 C4H1b 0.770 1.880 3.129 13.954 14.687 0.950 possible 1341 178 . THR OG1 17 O2H1u 0.660 1.460 3.134 29.731 17.610 1.688 possible 1342 178 . THR CG2 10 C4H3u 0.770 1.880 3.199 44.074 36.265 1.215 possible 1343 179 . VAL N 12 N3H1s 0.700 1.640 2.710 12.836 13.553 0.947 [OK] 1344 179 . VAL CA 3 C4H1s 0.770 1.880 3.006 15.617 13.078 1.194 possible 1345 179 . VAL C 1 C3H0s 0.770 1.610 2.665 7.702 8.528 0.903 [OK] 1346 179 . VAL O 16 O1H0u 0.660 1.420 2.519 15.657 15.998 0.979 [OK] 1347 179 . VAL CB 4 C4H1b 0.770 1.880 3.572 15.449 14.514 1.064 possible 1348 179 . VAL CG1 10 C4H3u 0.770 1.880 5.401 69.978 36.320 1.927 possible 1349 179 . VAL CG2 10 C4H3u 0.770 1.880 4.648 68.548 36.173 1.895 possible 1350 180 . VAL N 12 N3H1s 0.700 1.640 2.747 13.009 13.553 0.960 [OK] 1351 180 . VAL CA 3 C4H1s 0.770 1.880 3.108 12.609 13.078 0.964 possible 1352 180 . VAL C 1 C3H0s 0.770 1.610 2.715 7.963 8.528 0.934 [OK] 1353 180 . VAL O 16 O1H0u 0.660 1.420 2.622 14.415 15.998 0.901 [OK] 1354 180 . VAL CB 4 C4H1b 0.770 1.880 3.141 13.369 14.514 0.921 possible 1355 180 . VAL CG1 10 C4H3u 0.770 1.880 3.511 37.411 36.320 1.030 possible 1356 180 . VAL CG2 10 C4H3u 0.770 1.880 3.581 45.041 36.173 1.245 possible 1357 181 . LEU N 12 N3H1s 0.700 1.640 2.762 11.437 13.517 0.846 [OK] 1358 181 . LEU CA 3 C4H1s 0.770 1.880 3.564 15.299 13.055 1.172 possible 1359 181 . LEU C 1 C3H0s 0.770 1.610 2.338 8.412 8.781 0.958 [OK] 1360 181 . LEU O 16 O1H0u 0.660 1.420 2.377 14.261 15.957 0.894 [OK] 1361 181 . LEU CB 8 C4H2s 0.770 1.880 3.314 23.878 22.818 1.046 possible 1362 181 . LEU CG 4 C4H1b 0.770 1.880 3.205 16.135 14.704 1.097 possible 1363 181 . LEU CD1 10 C4H3u 0.770 1.880 3.619 37.132 37.235 0.997 possible 1364 181 . LEU CD2 10 C4H3u 0.770 1.880 3.605 44.335 37.020 1.198 possible 1365 182 . TRP N 12 N3H1s 0.700 1.640 2.204 11.289 13.639 0.828 [OK] 1366 182 . TRP CA 3 C4H1s 0.770 1.880 2.503 12.237 13.323 0.918 [OK] 1367 182 . TRP C 1 C3H0s 0.770 1.610 2.743 9.597 8.687 1.105 [OK] 1368 182 . TRP O 16 O1H0u 0.660 1.420 2.450 15.671 15.797 0.992 [OK] 1369 182 . TRP CB 8 C4H2s 0.770 1.880 3.006 27.320 23.826 1.147 possible 1370 182 . TRP CG 2 C3H0b 0.770 1.610 2.556 10.181 9.915 1.027 [OK] 1371 182 . TRP CD1 5 C3H1s 0.770 1.760 2.952 19.137 20.597 0.929 [OK] 1372 182 . TRP CD2 2 C3H0b 0.770 1.610 2.652 10.302 10.068 1.023 [OK] 1373 182 . TRP NE1 13 N3H1b 0.700 1.640 3.423 22.618 16.723 1.352 possible 1374 182 . TRP CE2 2 C3H0b 0.770 1.610 2.716 11.088 9.848 1.126 [OK] 1375 182 . TRP CE3 6 C3H1b 0.770 1.760 3.071 25.020 20.383 1.228 possible 1376 182 . TRP CZ2 6 C3H1b 0.770 1.760 3.023 23.511 20.931 1.123 possible 1377 182 . TRP CZ3 6 C3H1b 0.770 1.760 3.033 21.815 21.429 1.018 possible 1378 182 . TRP CH2 6 C3H1b 0.770 1.760 3.021 21.052 21.219 0.992 possible 1379 183 . SER N 12 N3H1s 0.700 1.640 2.686 11.589 13.808 0.839 [OK] 1380 183 . SER CA 3 C4H1s 0.770 1.880 3.690 13.140 13.351 0.984 possible 1381 183 . SER C 1 C3H0s 0.770 1.610 2.772 9.378 8.858 1.059 [OK] 1382 183 . SER O 16 O1H0u 0.660 1.420 4.073 20.231 15.860 1.276 possible 1383 183 . SER CB 8 C4H2s 0.770 1.880 5.861 43.066 23.599 1.825 possible 1384 183 . SER OG 17 O2H1u 0.660 1.460 5.128 43.863 18.021 2.434 possible 1385 184 . ALA N 12 N3H1s 0.700 1.640 2.481 12.926 13.872 0.932 [OK] 1386 184 . ALA CA 4 C4H1b 0.770 1.880 2.671 12.936 13.959 0.927 [OK] 1387 184 . ALA C 1 C3H0s 0.770 1.610 2.238 8.050 8.858 0.909 [OK] 1388 184 . ALA O 16 O1H0u 0.660 1.420 2.333 14.034 16.026 0.876 [OK] 1389 184 . ALA CB 10 C4H3u 0.770 1.880 3.577 38.957 36.551 1.066 possible 1390 185 . TYR N 12 N3H1s 0.700 1.640 2.301 12.688 13.473 0.942 [OK] 1391 185 . TYR CA 3 C4H1s 0.770 1.880 2.726 12.625 13.249 0.953 [OK] 1392 185 . TYR C 1 C3H0s 0.770 1.610 2.415 8.184 8.714 0.939 [OK] 1393 185 . TYR O 16 O1H0u 0.660 1.420 2.298 13.097 15.901 0.824 [OK] 1394 185 . TYR CB 8 C4H2s 0.770 1.880 2.709 19.782 23.426 0.844 [OK] 1395 185 . TYR CG 2 C3H0b 0.770 1.610 2.311 8.941 9.695 0.922 [OK] 1396 185 . TYR CD1 5 C3H1s 0.770 1.760 2.847 21.409 20.057 1.067 [OK] 1397 185 . TYR CD2 5 C3H1s 0.770 1.760 2.543 16.100 20.578 0.782 [OK] 1398 185 . TYR CE1 5 C3H1s 0.770 1.760 2.971 22.690 20.534 1.105 [OK] 1399 185 . TYR CE2 5 C3H1s 0.770 1.760 2.699 20.861 20.577 1.014 [OK] 1400 185 . TYR CZ 2 C3H0b 0.770 1.610 2.476 8.787 9.888 0.889 [OK] 1401 185 . TYR OH 17 O2H1u 0.660 1.460 2.426 17.150 18.541 0.925 [OK] 1402 186 . PRO N 11 N3H0u 0.700 1.640 2.243 8.246 8.650 0.953 [OK] 1403 186 . PRO CA 4 C4H1b 0.770 1.880 2.771 14.526 13.828 1.050 [OK] 1404 186 . PRO C 1 C3H0s 0.770 1.610 3.037 9.088 8.768 1.036 possible 1405 186 . PRO O 16 O1H0u 0.660 1.420 2.700 15.698 15.856 0.990 [OK] 1406 186 . PRO CB 9 C4H2b 0.770 1.880 4.841 37.588 25.314 1.485 possible 1407 186 . PRO CG 9 C4H2b 0.770 1.880 5.065 29.784 25.480 1.169 possible 1408 186 . PRO CD 8 C4H2s 0.770 1.880 2.773 18.833 23.390 0.805 [OK] 1409 187 . VAL N 12 N3H1s 0.700 1.640 3.148 14.798 13.553 1.092 possible 1410 187 . VAL CA 3 C4H1s 0.770 1.880 3.262 15.026 13.078 1.149 possible 1411 187 . VAL C 1 C3H0s 0.770 1.610 2.618 7.781 8.528 0.912 [OK] 1412 187 . VAL O 16 O1H0u 0.660 1.420 2.859 16.876 15.998 1.055 [OK] 1413 187 . VAL CB 4 C4H1b 0.770 1.880 2.781 13.631 14.514 0.939 [OK] 1414 187 . VAL CG1 10 C4H3u 0.770 1.880 3.836 39.659 36.320 1.092 possible 1415 187 . VAL CG2 10 C4H3u 0.770 1.880 6.563 105.386 36.173 2.913 possible 1416 188 . VAL N 12 N3H1s 0.700 1.640 2.783 12.894 13.553 0.951 [OK] 1417 188 . VAL CA 3 C4H1s 0.770 1.880 3.707 17.371 13.078 1.328 possible 1418 188 . VAL C 1 C3H0s 0.770 1.610 2.678 8.044 8.528 0.943 [OK] 1419 188 . VAL O 16 O1H0u 0.660 1.420 2.917 19.859 15.998 1.241 [OK] 1420 188 . VAL CB 4 C4H1b 0.770 1.880 2.725 13.333 14.514 0.919 [OK] 1421 188 . VAL CG1 10 C4H3u 0.770 1.880 3.399 42.521 36.320 1.171 possible 1422 188 . VAL CG2 10 C4H3u 0.770 1.880 3.716 41.554 36.173 1.149 possible 1423 189 . TRP N 12 N3H1s 0.700 1.640 2.651 12.197 13.639 0.894 [OK] 1424 189 . TRP CA 3 C4H1s 0.770 1.880 3.084 15.490 13.323 1.163 possible 1425 189 . TRP C 1 C3H0s 0.770 1.610 2.073 7.827 8.687 0.901 [OK] 1426 189 . TRP O 16 O1H0u 0.660 1.420 2.601 17.963 15.797 1.137 [OK] 1427 189 . TRP CB 8 C4H2s 0.770 1.880 2.799 20.045 23.826 0.841 [OK] 1428 189 . TRP CG 2 C3H0b 0.770 1.610 2.763 10.015 9.915 1.010 [OK] 1429 189 . TRP CD1 5 C3H1s 0.770 1.760 3.231 23.552 20.597 1.143 possible 1430 189 . TRP CD2 2 C3H0b 0.770 1.610 2.746 10.642 10.068 1.057 [OK] 1431 189 . TRP NE1 13 N3H1b 0.700 1.640 2.875 17.803 16.723 1.065 [OK] 1432 189 . TRP CE2 2 C3H0b 0.770 1.610 2.737 10.491 9.848 1.065 [OK] 1433 189 . TRP CE3 6 C3H1b 0.770 1.760 2.771 18.249 20.383 0.895 [OK] 1434 189 . TRP CZ2 6 C3H1b 0.770 1.760 3.308 24.752 20.931 1.183 possible 1435 189 . TRP CZ3 6 C3H1b 0.770 1.760 3.106 24.028 21.429 1.121 possible 1436 189 . TRP CH2 6 C3H1b 0.770 1.760 3.350 27.775 21.219 1.309 possible 1437 190 . LEU N 12 N3H1s 0.700 1.640 2.450 12.447 13.517 0.921 [OK] 1438 190 . LEU CA 3 C4H1s 0.770 1.880 3.060 14.498 13.055 1.111 possible 1439 190 . LEU C 1 C3H0s 0.770 1.610 2.673 7.739 8.781 0.881 [OK] 1440 190 . LEU O 16 O1H0u 0.660 1.420 2.896 16.442 15.957 1.030 [OK] 1441 190 . LEU CB 8 C4H2s 0.770 1.880 3.080 22.489 22.818 0.986 possible 1442 190 . LEU CG 4 C4H1b 0.770 1.880 4.726 18.659 14.704 1.269 possible 1443 190 . LEU CD1 10 C4H3u 0.770 1.880 19.127 -1.000 37.235 -1.000 bad 1444 190 . LEU CD2 10 C4H3u 0.770 1.880 34.106 -1.000 37.020 -1.000 bad 1445 191 . ILE N 12 N3H1s 0.700 1.640 2.654 13.316 13.493 0.987 [OK] 1446 191 . ILE CA 3 C4H1s 0.770 1.880 3.535 14.457 12.946 1.117 possible 1447 191 . ILE C 1 C3H0s 0.770 1.610 2.411 8.105 8.445 0.960 [OK] 1448 191 . ILE O 16 O1H0u 0.660 1.420 2.345 15.090 15.930 0.947 [OK] 1449 191 . ILE CB 4 C4H1b 0.770 1.880 3.243 15.119 14.146 1.069 possible 1450 191 . ILE CG1 9 C4H2b 0.770 1.880 7.682 50.869 24.071 2.113 possible 1451 191 . ILE CG2 10 C4H3u 0.770 1.880 3.716 46.086 35.763 1.289 possible 1452 191 . ILE CD1 10 C4H3u 0.770 1.880 11.527 -1.000 38.219 -1.000 bad 1453 192 . GLY N 12 N3H1s 0.700 1.640 3.158 15.227 14.480 1.052 possible 1454 192 . GLY CA 8 C4H2s 0.770 1.880 3.254 25.146 23.470 1.071 possible 1455 192 . GLY C 2 C3H0b 0.770 1.610 3.225 11.291 9.652 1.170 possible 1456 192 . GLY O 16 O1H0u 0.660 1.420 2.831 17.277 16.154 1.069 [OK] 1457 193 . SER N 12 N3H1s 0.700 1.640 3.493 23.367 13.808 1.692 possible 1458 193 . SER CA 3 C4H1s 0.770 1.880 3.404 16.071 13.351 1.204 possible 1459 193 . SER C 1 C3H0s 0.770 1.610 2.719 9.527 8.858 1.075 [OK] 1460 193 . SER O 16 O1H0u 0.660 1.420 3.937 37.842 15.860 2.386 possible 1461 193 . SER CB 8 C4H2s 0.770 1.880 3.772 33.475 23.599 1.418 possible 1462 193 . SER OG 17 O2H1u 0.660 1.460 3.386 23.746 18.021 1.318 possible 1463 194 . GLU N 12 N3H1s 0.700 1.640 2.858 15.884 13.461 1.180 [OK] 1464 194 . GLU CA 3 C4H1s 0.770 1.880 3.380 13.385 13.284 1.008 possible 1465 194 . GLU C 1 C3H0s 0.770 1.610 3.430 11.409 8.631 1.322 possible 1466 194 . GLU O 16 O1H0u 0.660 1.420 2.737 20.531 15.765 1.302 [OK] 1467 194 . GLU CB 8 C4H2s 0.770 1.880 3.190 26.252 23.214 1.131 possible 1468 194 . GLU CG 8 C4H2s 0.770 1.880 3.489 29.798 23.304 1.279 possible 1469 194 . GLU CD 2 C3H0b 0.770 1.610 2.483 8.424 9.437 0.893 [OK] 1470 194 . GLU OE1 16 O1H0u 0.660 1.420 3.379 25.595 15.497 1.652 possible 1471 194 . GLU OE2 16 O1H0u 0.660 1.420 2.777 17.693 16.213 1.091 [OK] 1472 195 . GLY N 12 N3H1s 0.700 1.640 3.344 16.600 14.480 1.146 possible 1473 195 . GLY CA 8 C4H2s 0.770 1.880 3.039 23.777 23.470 1.013 possible 1474 195 . GLY C 2 C3H0b 0.770 1.610 3.218 9.737 9.652 1.009 possible 1475 195 . GLY O 16 O1H0u 0.660 1.420 4.462 35.542 16.154 2.200 possible 1476 196 . ALA N 12 N3H1s 0.700 1.640 2.681 15.110 13.872 1.089 [OK] 1477 196 . ALA CA 4 C4H1b 0.770 1.880 6.400 23.958 13.959 1.716 possible 1478 196 . ALA C 1 C3H0s 0.770 1.610 3.337 10.961 8.858 1.237 possible 1479 196 . ALA O 16 O1H0u 0.660 1.420 36.025 -1.000 16.026 -1.000 bad 1480 196 . ALA CB 10 C4H3u 0.770 1.880 26.069 -1.000 36.551 -1.000 bad 1481 197 . GLY N 12 N3H1s 0.700 1.640 3.188 14.861 14.480 1.026 possible 1482 197 . GLY CA 8 C4H2s 0.770 1.880 5.935 53.236 23.470 2.268 possible 1483 197 . GLY C 2 C3H0b 0.770 1.610 3.201 10.640 9.652 1.102 possible 1484 197 . GLY O 16 O1H0u 0.660 1.420 28.989 -1.000 16.154 -1.000 bad 1485 198 . ILE N 12 N3H1s 0.700 1.640 2.505 12.133 13.493 0.899 [OK] 1486 198 . ILE CA 3 C4H1s 0.770 1.880 4.195 15.391 12.946 1.189 possible 1487 198 . ILE C 1 C3H0s 0.770 1.610 2.672 9.053 8.445 1.072 [OK] 1488 198 . ILE O 16 O1H0u 0.660 1.420 3.558 28.288 15.930 1.776 possible 1489 198 . ILE CB 4 C4H1b 0.770 1.880 2.618 13.731 14.146 0.971 [OK] 1490 198 . ILE CG1 9 C4H2b 0.770 1.880 5.677 37.225 24.071 1.546 possible 1491 198 . ILE CG2 10 C4H3u 0.770 1.880 17.496 -1.000 35.763 -1.000 bad 1492 198 . ILE CD1 10 C4H3u 0.770 1.880 50.543 -1.000 38.219 -1.000 bad 1493 199 . VAL N 12 N3H1s 0.700 1.640 2.468 13.942 13.553 1.029 [OK] 1494 199 . VAL CA 3 C4H1s 0.770 1.880 3.007 12.965 13.078 0.991 possible 1495 199 . VAL C 1 C3H0s 0.770 1.610 3.406 9.921 8.528 1.163 possible 1496 199 . VAL O 16 O1H0u 0.660 1.420 3.481 23.979 15.998 1.499 possible 1497 199 . VAL CB 4 C4H1b 0.770 1.880 2.942 12.954 14.514 0.893 [OK] 1498 199 . VAL CG1 10 C4H3u 0.770 1.880 3.426 43.258 36.320 1.191 possible 1499 199 . VAL CG2 10 C4H3u 0.770 1.880 3.505 39.822 36.173 1.101 possible 1500 200 . PRO N 11 N3H0u 0.700 1.640 3.380 11.400 8.650 1.318 possible 1501 200 . PRO CA 4 C4H1b 0.770 1.880 4.079 22.273 13.828 1.611 possible 1502 200 . PRO C 1 C3H0s 0.770 1.610 3.166 10.614 8.768 1.211 possible 1503 200 . PRO O 16 O1H0u 0.660 1.420 4.864 42.813 15.856 2.700 possible 1504 200 . PRO CB 9 C4H2b 0.770 1.880 3.761 31.364 25.314 1.239 possible 1505 200 . PRO CG 9 C4H2b 0.770 1.880 4.046 43.758 25.480 1.717 possible 1506 200 . PRO CD 8 C4H2s 0.770 1.880 3.303 26.467 23.390 1.132 possible 1507 201 . LEU N 12 N3H1s 0.700 1.640 2.995 16.068 13.517 1.189 [OK] 1508 201 . LEU CA 3 C4H1s 0.770 1.880 3.508 16.548 13.055 1.268 possible 1509 201 . LEU C 1 C3H0s 0.770 1.610 2.559 8.547 8.781 0.973 [OK] 1510 201 . LEU O 16 O1H0u 0.660 1.420 2.551 15.077 15.957 0.945 [OK] 1511 201 . LEU CB 8 C4H2s 0.770 1.880 4.893 38.484 22.818 1.687 possible 1512 201 . LEU CG 4 C4H1b 0.770 1.880 3.328 14.933 14.704 1.016 possible 1513 201 . LEU CD1 10 C4H3u 0.770 1.880 7.211 116.997 37.235 3.142 possible 1514 201 . LEU CD2 10 C4H3u 0.770 1.880 3.681 41.594 37.020 1.124 possible 1515 202 . ASN N 12 N3H1s 0.700 1.640 2.575 13.033 13.525 0.964 [OK] 1516 202 . ASN CA 3 C4H1s 0.770 1.880 3.057 17.459 13.052 1.338 possible 1517 202 . ASN C 1 C3H0s 0.770 1.610 2.772 8.868 8.853 1.002 [OK] 1518 202 . ASN O 16 O1H0u 0.660 1.420 2.423 14.685 15.857 0.926 [OK] 1519 202 . ASN CB 8 C4H2s 0.770 1.880 3.324 27.715 22.756 1.218 possible 1520 202 . ASN CG 2 C3H0b 0.770 1.610 2.882 10.143 9.537 1.064 [OK] 1521 202 . ASN OD1 16 O1H0u 0.660 1.420 4.943 41.068 16.247 2.528 possible 1522 202 . ASN ND2 15 N3H2u 0.700 1.640 3.969 37.481 22.525 1.664 possible 1523 203 . ILE N 12 N3H1s 0.700 1.640 2.967 14.356 13.493 1.064 [OK] 1524 203 . ILE CA 3 C4H1s 0.770 1.880 2.975 14.060 12.946 1.086 [OK] 1525 203 . ILE C 1 C3H0s 0.770 1.610 2.810 8.081 8.445 0.957 [OK] 1526 203 . ILE O 16 O1H0u 0.660 1.420 2.583 13.359 15.930 0.839 [OK] 1527 203 . ILE CB 4 C4H1b 0.770 1.880 2.876 13.419 14.146 0.949 [OK] 1528 203 . ILE CG1 9 C4H2b 0.770 1.880 3.035 25.179 24.071 1.046 possible 1529 203 . ILE CG2 10 C4H3u 0.770 1.880 3.257 32.902 35.763 0.920 possible 1530 203 . ILE CD1 10 C4H3u 0.770 1.880 3.276 41.467 38.219 1.085 possible 1531 204 . GLU N 12 N3H1s 0.700 1.640 3.041 14.582 13.461 1.083 possible 1532 204 . GLU CA 3 C4H1s 0.770 1.880 3.281 18.807 13.284 1.416 possible 1533 204 . GLU C 1 C3H0s 0.770 1.610 2.418 8.045 8.631 0.932 [OK] 1534 204 . GLU O 16 O1H0u 0.660 1.420 2.637 16.273 15.765 1.032 [OK] 1535 204 . GLU CB 8 C4H2s 0.770 1.880 3.423 26.220 23.214 1.129 possible 1536 204 . GLU CG 8 C4H2s 0.770 1.880 2.485 17.080 23.304 0.733 [OK] 1537 204 . GLU CD 2 C3H0b 0.770 1.610 3.054 10.173 9.437 1.078 possible 1538 204 . GLU OE1 16 O1H0u 0.660 1.420 2.851 21.115 15.497 1.363 [OK] 1539 204 . GLU OE2 16 O1H0u 0.660 1.420 3.095 23.130 16.213 1.427 possible 1540 205 . THR N 12 N3H1s 0.700 1.640 2.226 11.234 13.544 0.829 [OK] 1541 205 . THR CA 3 C4H1s 0.770 1.880 3.254 14.347 13.025 1.102 possible 1542 205 . THR C 1 C3H0s 0.770 1.610 2.261 8.313 8.685 0.957 [OK] 1543 205 . THR O 16 O1H0u 0.660 1.420 3.269 18.881 15.795 1.195 possible 1544 205 . THR CB 4 C4H1b 0.770 1.880 2.775 13.184 14.687 0.898 [OK] 1545 205 . THR OG1 17 O2H1u 0.660 1.460 2.672 20.860 17.610 1.185 [OK] 1546 205 . THR CG2 10 C4H3u 0.770 1.880 3.338 34.106 36.265 0.940 possible 1547 206 . LEU N 12 N3H1s 0.700 1.640 2.397 13.189 13.517 0.976 [OK] 1548 206 . LEU CA 3 C4H1s 0.770 1.880 3.207 14.776 13.055 1.132 possible 1549 206 . LEU C 1 C3H0s 0.770 1.610 2.550 8.116 8.781 0.924 [OK] 1550 206 . LEU O 16 O1H0u 0.660 1.420 2.622 14.622 15.957 0.916 [OK] 1551 206 . LEU CB 8 C4H2s 0.770 1.880 3.172 22.988 22.818 1.007 possible 1552 206 . LEU CG 4 C4H1b 0.770 1.880 3.185 15.227 14.704 1.036 possible 1553 206 . LEU CD1 10 C4H3u 0.770 1.880 3.525 38.759 37.235 1.041 possible 1554 206 . LEU CD2 10 C4H3u 0.770 1.880 3.203 36.494 37.020 0.986 possible 1555 207 . LEU N 12 N3H1s 0.700 1.640 2.758 11.985 13.517 0.887 [OK] 1556 207 . LEU CA 3 C4H1s 0.770 1.880 3.393 16.956 13.055 1.299 possible 1557 207 . LEU C 1 C3H0s 0.770 1.610 2.669 9.322 8.781 1.062 [OK] 1558 207 . LEU O 16 O1H0u 0.660 1.420 2.853 15.004 15.957 0.940 [OK] 1559 207 . LEU CB 8 C4H2s 0.770 1.880 3.155 21.997 22.818 0.964 possible 1560 207 . LEU CG 4 C4H1b 0.770 1.880 3.478 18.665 14.704 1.269 possible 1561 207 . LEU CD1 10 C4H3u 0.770 1.880 3.500 35.085 37.235 0.942 possible 1562 207 . LEU CD2 10 C4H3u 0.770 1.880 3.567 40.465 37.020 1.093 possible 1563 208 . PHE N 12 N3H1s 0.700 1.640 2.661 13.720 13.524 1.014 [OK] 1564 208 . PHE CA 3 C4H1s 0.770 1.880 2.774 12.923 13.371 0.966 [OK] 1565 208 . PHE C 1 C3H0s 0.770 1.610 3.149 9.405 8.697 1.081 possible 1566 208 . PHE O 16 O1H0u 0.660 1.420 2.574 16.916 15.961 1.060 [OK] 1567 208 . PHE CB 8 C4H2s 0.770 1.880 3.695 25.539 23.623 1.081 possible 1568 208 . PHE CG 2 C3H0b 0.770 1.610 2.799 11.434 9.684 1.181 [OK] 1569 208 . PHE CD1 5 C3H1s 0.770 1.760 2.814 19.664 20.325 0.968 [OK] 1570 208 . PHE CD2 6 C3H1b 0.770 1.760 3.080 20.715 20.948 0.989 possible 1571 208 . PHE CE1 6 C3H1b 0.770 1.760 2.697 18.233 21.532 0.847 [OK] 1572 208 . PHE CE2 6 C3H1b 0.770 1.760 3.649 26.821 21.625 1.240 possible 1573 208 . PHE CZ 6 C3H1b 0.770 1.760 2.909 18.856 21.555 0.875 [OK] 1574 209 . MET N 12 N3H1s 0.700 1.640 3.525 15.806 13.405 1.179 possible 1575 209 . MET CA 3 C4H1s 0.770 1.880 2.912 12.471 13.194 0.945 [OK] 1576 209 . MET C 1 C3H0s 0.770 1.610 2.093 7.682 8.756 0.877 [OK] 1577 209 . MET O 16 O1H0u 0.660 1.420 2.610 14.401 16.002 0.900 [OK] 1578 209 . MET CB 8 C4H2s 0.770 1.880 3.409 26.280 23.418 1.122 possible 1579 209 . MET CG 9 C4H2b 0.770 1.880 3.268 25.496 23.830 1.070 possible 1580 209 . MET SD 19 S2H0u 1.040 1.770 3.596 39.404 30.207 1.304 possible 1581 209 . MET CE 10 C4H3u 0.770 1.880 4.044 42.286 37.003 1.143 possible 1582 210 . VAL N 12 N3H1s 0.700 1.640 2.408 12.057 13.553 0.890 [OK] 1583 210 . VAL CA 3 C4H1s 0.770 1.880 3.755 17.708 13.078 1.354 possible 1584 210 . VAL C 1 C3H0s 0.770 1.610 2.671 7.652 8.528 0.897 [OK] 1585 210 . VAL O 16 O1H0u 0.660 1.420 2.880 15.713 15.998 0.982 [OK] 1586 210 . VAL CB 4 C4H1b 0.770 1.880 3.347 13.722 14.514 0.945 possible 1587 210 . VAL CG1 10 C4H3u 0.770 1.880 3.524 43.914 36.320 1.209 possible 1588 210 . VAL CG2 10 C4H3u 0.770 1.880 3.608 38.598 36.173 1.067 possible 1589 211 . LEU N 12 N3H1s 0.700 1.640 2.664 11.689 13.517 0.865 [OK] 1590 211 . LEU CA 3 C4H1s 0.770 1.880 3.138 12.355 13.055 0.946 possible 1591 211 . LEU C 1 C3H0s 0.770 1.610 2.412 8.183 8.781 0.932 [OK] 1592 211 . LEU O 16 O1H0u 0.660 1.420 2.446 13.302 15.957 0.834 [OK] 1593 211 . LEU CB 8 C4H2s 0.770 1.880 2.826 20.902 22.818 0.916 [OK] 1594 211 . LEU CG 4 C4H1b 0.770 1.880 3.096 15.191 14.704 1.033 possible 1595 211 . LEU CD1 10 C4H3u 0.770 1.880 3.619 44.646 37.235 1.199 possible 1596 211 . LEU CD2 10 C4H3u 0.770 1.880 2.982 35.295 37.020 0.953 [OK] 1597 212 . ASP N 12 N3H1s 0.700 1.640 2.304 12.225 13.654 0.895 [OK] 1598 212 . ASP CA 3 C4H1s 0.770 1.880 2.647 12.543 13.254 0.946 [OK] 1599 212 . ASP C 1 C3H0s 0.770 1.610 2.202 8.121 8.750 0.928 [OK] 1600 212 . ASP O 16 O1H0u 0.660 1.420 2.387 15.122 15.757 0.960 [OK] 1601 212 . ASP CB 8 C4H2s 0.770 1.880 2.875 20.205 23.022 0.878 [OK] 1602 212 . ASP CG 2 C3H0b 0.770 1.610 2.653 9.983 9.336 1.069 [OK] 1603 212 . ASP OD1 16 O1H0u 0.660 1.420 2.584 16.210 15.078 1.075 [OK] 1604 212 . ASP OD2 16 O1H0u 0.660 1.420 3.215 26.724 15.582 1.715 possible 1605 213 . VAL N 12 N3H1s 0.700 1.640 2.823 12.629 13.553 0.932 [OK] 1606 213 . VAL CA 3 C4H1s 0.770 1.880 3.352 13.216 13.078 1.011 possible 1607 213 . VAL C 1 C3H0s 0.770 1.610 2.781 8.120 8.528 0.952 [OK] 1608 213 . VAL O 16 O1H0u 0.660 1.420 2.943 17.020 15.998 1.064 [OK] 1609 213 . VAL CB 4 C4H1b 0.770 1.880 3.202 13.822 14.514 0.952 possible 1610 213 . VAL CG1 10 C4H3u 0.770 1.880 4.076 56.965 36.320 1.568 possible 1611 213 . VAL CG2 10 C4H3u 0.770 1.880 3.350 36.996 36.173 1.023 possible 1612 214 . SER N 12 N3H1s 0.700 1.640 2.791 12.508 13.808 0.906 [OK] 1613 214 . SER CA 3 C4H1s 0.770 1.880 4.246 21.500 13.351 1.610 possible 1614 214 . SER C 1 C3H0s 0.770 1.610 2.818 8.975 8.858 1.013 [OK] 1615 214 . SER O 16 O1H0u 0.660 1.420 3.363 23.926 15.860 1.509 possible 1616 214 . SER CB 8 C4H2s 0.770 1.880 3.391 28.894 23.599 1.224 possible 1617 214 . SER OG 17 O2H1u 0.660 1.460 3.725 28.237 18.021 1.567 possible 1618 215 . ALA N 12 N3H1s 0.700 1.640 2.647 12.251 13.872 0.883 [OK] 1619 215 . ALA CA 4 C4H1b 0.770 1.880 3.619 16.442 13.959 1.178 possible 1620 215 . ALA C 1 C3H0s 0.770 1.610 2.836 9.462 8.858 1.068 [OK] 1621 215 . ALA O 16 O1H0u 0.660 1.420 3.215 20.119 16.026 1.255 possible 1622 215 . ALA CB 10 C4H3u 0.770 1.880 3.795 44.343 36.551 1.213 possible 1623 216 . LYS N 12 N3H1s 0.700 1.640 2.920 14.919 13.429 1.111 [OK] 1624 216 . LYS CA 3 C4H1s 0.770 1.880 2.963 14.154 13.217 1.071 [OK] 1625 216 . LYS C 1 C3H0s 0.770 1.610 2.970 9.498 8.696 1.092 [OK] 1626 216 . LYS O 16 O1H0u 0.660 1.420 3.260 26.004 15.818 1.644 possible 1627 216 . LYS CB 8 C4H2s 0.770 1.880 3.641 30.454 22.578 1.349 possible 1628 216 . LYS CG 8 C4H2s 0.770 1.880 3.329 24.787 22.847 1.085 possible 1629 216 . LYS CD 8 C4H2s 0.770 1.880 3.316 22.643 23.365 0.969 possible 1630 216 . LYS CE 9 C4H2b 0.770 1.880 2.778 19.570 23.720 0.825 [OK] 1631 216 . LYS NZ 14 N4H3u 0.700 1.640 2.760 18.325 21.413 0.856 [OK] 1632 217 . VAL N 12 N3H1s 0.700 1.640 3.251 15.742 13.553 1.161 possible 1633 217 . VAL CA 3 C4H1s 0.770 1.880 3.755 15.294 13.078 1.169 possible 1634 217 . VAL C 1 C3H0s 0.770 1.610 2.668 8.269 8.528 0.970 [OK] 1635 217 . VAL O 16 O1H0u 0.660 1.420 3.150 20.205 15.998 1.263 possible 1636 217 . VAL CB 4 C4H1b 0.770 1.880 3.464 15.523 14.514 1.070 possible 1637 217 . VAL CG1 10 C4H3u 0.770 1.880 4.888 80.114 36.320 2.206 possible 1638 217 . VAL CG2 10 C4H3u 0.770 1.880 4.497 67.597 36.173 1.869 possible 1639 218 . GLY N 12 N3H1s 0.700 1.640 3.308 15.067 14.480 1.041 possible 1640 218 . GLY CA 8 C4H2s 0.770 1.880 5.049 53.979 23.470 2.300 possible 1641 218 . GLY C 2 C3H0b 0.770 1.610 2.984 10.260 9.652 1.063 [OK] 1642 218 . GLY O 16 O1H0u 0.660 1.420 4.026 17.466 16.154 1.081 possible 1643 219 . PHE N 12 N3H1s 0.700 1.640 2.745 16.075 13.524 1.189 [OK] 1644 219 . PHE CA 3 C4H1s 0.770 1.880 3.155 16.036 13.371 1.199 possible 1645 219 . PHE C 1 C3H0s 0.770 1.610 2.179 7.735 8.697 0.889 [OK] 1646 219 . PHE O 16 O1H0u 0.660 1.420 2.542 16.238 15.961 1.017 [OK] 1647 219 . PHE CB 8 C4H2s 0.770 1.880 3.762 30.229 23.623 1.280 possible 1648 219 . PHE CG 2 C3H0b 0.770 1.610 2.613 10.201 9.684 1.053 [OK] 1649 219 . PHE CD1 5 C3H1s 0.770 1.760 3.283 20.825 20.325 1.025 possible 1650 219 . PHE CD2 6 C3H1b 0.770 1.760 3.390 24.381 20.948 1.164 possible 1651 219 . PHE CE1 6 C3H1b 0.770 1.760 3.284 23.079 21.532 1.072 possible 1652 219 . PHE CE2 6 C3H1b 0.770 1.760 2.983 21.272 21.625 0.984 [OK] 1653 219 . PHE CZ 6 C3H1b 0.770 1.760 2.792 20.596 21.555 0.956 [OK] 1654 220 . GLY N 12 N3H1s 0.700 1.640 2.714 13.485 14.480 0.931 [OK] 1655 220 . GLY CA 8 C4H2s 0.770 1.880 3.760 32.835 23.470 1.399 possible 1656 220 . GLY C 2 C3H0b 0.770 1.610 3.121 9.540 9.652 0.988 possible 1657 220 . GLY O 16 O1H0u 0.660 1.420 2.415 14.662 16.154 0.908 [OK] 1658 221 . LEU N 12 N3H1s 0.700 1.640 3.220 13.554 13.517 1.003 possible 1659 221 . LEU CA 3 C4H1s 0.770 1.880 2.866 12.400 13.055 0.950 [OK] 1660 221 . LEU C 1 C3H0s 0.770 1.610 3.702 9.589 8.781 1.092 possible 1661 221 . LEU O 16 O1H0u 0.660 1.420 4.407 21.918 15.957 1.374 possible 1662 221 . LEU CB 8 C4H2s 0.770 1.880 4.303 25.250 22.818 1.107 possible 1663 221 . LEU CG 4 C4H1b 0.770 1.880 5.346 26.960 14.704 1.834 possible 1664 221 . LEU CD1 10 C4H3u 0.770 1.880 6.450 85.470 37.235 2.295 possible 1665 221 . LEU CD2 10 C4H3u 0.770 1.880 57.550 -1.000 37.020 -1.000 bad 1666 222 . ILE N 12 N3H1s 0.700 1.640 3.105 12.610 13.493 0.935 possible 1667 222 . ILE CA 3 C4H1s 0.770 1.880 3.838 15.438 12.946 1.192 possible 1668 222 . ILE C 1 C3H0s 0.770 1.610 2.397 8.277 8.445 0.980 [OK] 1669 222 . ILE O 16 O1H0u 0.660 1.420 2.521 14.876 15.930 0.934 [OK] 1670 222 . ILE CB 4 C4H1b 0.770 1.880 3.042 14.523 14.146 1.027 possible 1671 222 . ILE CG1 9 C4H2b 0.770 1.880 5.174 47.462 24.071 1.972 possible 1672 222 . ILE CG2 10 C4H3u 0.770 1.880 2.975 33.111 35.763 0.926 [OK] 1673 222 . ILE CD1 10 C4H3u 0.770 1.880 4.764 53.343 38.219 1.396 possible 1674 223 . LEU N 12 N3H1s 0.700 1.640 2.657 12.730 13.517 0.942 [OK] 1675 223 . LEU CA 3 C4H1s 0.770 1.880 2.738 13.145 13.055 1.007 [OK] 1676 223 . LEU C 1 C3H0s 0.770 1.610 2.973 9.662 8.781 1.100 [OK] 1677 223 . LEU O 16 O1H0u 0.660 1.420 3.081 20.234 15.957 1.268 possible 1678 223 . LEU CB 8 C4H2s 0.770 1.880 3.418 23.554 22.818 1.032 possible 1679 223 . LEU CG 4 C4H1b 0.770 1.880 3.635 20.608 14.704 1.402 possible 1680 223 . LEU CD1 10 C4H3u 0.770 1.880 3.777 44.627 37.235 1.199 possible 1681 223 . LEU CD2 10 C4H3u 0.770 1.880 3.340 31.456 37.020 0.850 possible 1682 224 . LEU N 12 N3H1s 0.700 1.640 2.734 12.027 13.517 0.890 [OK] 1683 224 . LEU CA 3 C4H1s 0.770 1.880 3.208 17.309 13.055 1.326 possible 1684 224 . LEU C 1 C3H0s 0.770 1.610 2.228 8.108 8.781 0.923 [OK] 1685 224 . LEU O 16 O1H0u 0.660 1.420 6.234 35.035 15.957 2.196 possible 1686 224 . LEU CB 8 C4H2s 0.770 1.880 3.011 19.782 22.818 0.867 possible 1687 224 . LEU CG 4 C4H1b 0.770 1.880 3.199 18.996 14.704 1.292 possible 1688 224 . LEU CD1 10 C4H3u 0.770 1.880 27.541 -1.000 37.235 -1.000 bad 1689 224 . LEU CD2 10 C4H3u 0.770 1.880 5.106 53.520 37.020 1.446 possible 1690 225 . ARG N 12 N3H1s 0.700 1.640 2.315 11.511 13.486 0.854 [OK] 1691 225 . ARG CA 3 C4H1s 0.770 1.880 7.699 -1.000 13.310 -1.000 bad 1692 225 . ARG C 1 C3H0s 0.770 1.610 2.638 8.129 8.779 0.926 [OK] 1693 225 . ARG O 16 O1H0u 0.660 1.420 20.859 -1.000 15.916 -1.000 bad 1694 225 . ARG CB 8 C4H2s 0.770 1.880 7.418 47.504 22.833 2.080 possible 1695 225 . ARG CG 8 C4H2s 0.770 1.880 20.066 -1.000 23.273 -1.000 bad 1696 225 . ARG CD 8 C4H2s 0.770 1.880 11.813 -1.000 22.849 -1.000 bad 1697 225 . ARG NE 13 N3H1b 0.700 1.640 12.453 -1.000 15.019 -1.000 bad 1698 225 . ARG CZ 2 C3H0b 0.770 1.610 5.485 14.803 9.678 1.530 possible 1699 225 . ARG NH1 15 N3H2u 0.700 1.640 3.213 31.117 22.056 1.411 possible 1700 225 . ARG NH2 15 N3H2u 0.700 1.640 6.719 54.870 23.132 2.372 possible 1701 226 . SER N 12 N3H1s 0.700 1.640 2.684 13.280 13.808 0.962 [OK] 1702 226 . SER CA 3 C4H1s 0.770 1.880 3.579 17.041 13.351 1.276 possible 1703 226 . SER C 1 C3H0s 0.770 1.610 2.319 8.452 8.858 0.954 [OK] 1704 226 . SER O 16 O1H0u 0.660 1.420 4.192 34.786 15.860 2.193 possible 1705 226 . SER CB 8 C4H2s 0.770 1.880 3.255 21.070 23.599 0.893 possible 1706 226 . SER OG 17 O2H1u 0.660 1.460 3.212 32.411 18.021 1.799 possible 1707 227 . ARG N 12 N3H1s 0.700 1.640 2.672 14.021 13.486 1.040 [OK] 1708 227 . ARG CA 3 C4H1s 0.770 1.880 2.870 12.520 13.310 0.941 [OK] 1709 227 . ARG C 1 C3H0s 0.770 1.610 3.709 11.155 8.779 1.271 possible 1710 227 . ARG O 16 O1H0u 0.660 1.420 7.714 68.695 15.916 4.316 possible 1711 227 . ARG CB 8 C4H2s 0.770 1.880 3.543 25.307 22.833 1.108 possible 1712 227 . ARG CG 8 C4H2s 0.770 1.880 3.752 33.257 23.273 1.429 possible 1713 227 . ARG CD 8 C4H2s 0.770 1.880 4.988 34.654 22.849 1.517 possible 1714 227 . ARG NE 13 N3H1b 0.700 1.640 4.109 18.280 15.019 1.217 possible 1715 227 . ARG CZ 2 C3H0b 0.770 1.610 4.922 16.894 9.678 1.746 possible 1716 227 . ARG NH1 15 N3H2u 0.700 1.640 4.483 50.284 22.056 2.280 possible 1717 227 . ARG NH2 15 N3H2u 0.700 1.640 4.953 56.782 23.132 2.455 possible 1718 228 . ALA N 12 N3H1s 0.700 1.640 40.601 -1.000 13.872 -1.000 bad 1720 261 . DPG C1 9 C4H2b 0.770 1.880 17.787 -1.000 1.880 -1.000 bad 1721 261 . DPG C2 9 C4H2b 0.770 1.880 2.978 11.591 1.880 6.165 [OK] 1722 261 . DPG C3 9 C4H2b 0.770 1.880 3.682 32.442 1.880 17.257 possible 1723 261 . DPG C4 9 C4H2b 0.770 1.880 33.019 -1.000 1.880 -1.000 bad 1724 261 . DPG C5 9 C4H2b 0.770 1.880 5.297 16.965 1.880 9.024 possible 1725 261 . DPG C6 9 C4H2b 0.770 1.880 26.434 -1.000 1.880 -1.000 bad 1726 261 . DPG C11 9 C4H2b 0.770 1.880 30.268 -1.000 1.880 -1.000 bad 1727 261 . DPG C12 9 C4H2b 0.770 1.880 14.391 -1.000 1.880 -1.000 bad 1728 261 . DPG C13 9 C4H2b 0.770 1.880 3.401 14.170 1.880 7.537 possible 1729 261 . DPG C14 9 C4H2b 0.770 1.880 4.716 69.892 1.880 37.177 possible 1730 261 . DPG C15 9 C4H2b 0.770 1.880 21.947 -1.000 1.880 -1.000 bad 1731 261 . DPG C16 9 C4H2b 0.770 1.880 4.194 30.775 1.880 16.370 possible 1732 261 . DPG C17 9 C4H2b 0.770 1.880 24.774 -1.000 1.880 -1.000 bad 1733 261 . DPG C18 9 C4H2b 0.770 1.880 3.922 17.100 1.880 9.096 possible 1734 261 . DPG C19 9 C4H2b 0.770 1.880 29.778 -1.000 1.880 -1.000 bad 1735 261 . DPG C20 9 C4H2b 0.770 1.880 24.861 -1.000 1.880 -1.000 bad 1736 261 . DPG C21 9 C4H2b 0.770 1.880 4.516 35.813 1.880 19.049 possible 1737 261 . DPG C22 9 C4H2b 0.770 1.880 18.308 -1.000 1.880 -1.000 bad 1738 261 . DPG C23 9 C4H2b 0.770 1.880 12.472 -1.000 1.880 -1.000 bad 1739 261 . DPG C24 9 C4H2b 0.770 1.880 21.049 -1.000 1.880 -1.000 bad 1740 261 . DPG C25 9 C4H2b 0.770 1.880 6.782 31.554 1.880 16.784 possible 1741 261 . DPG C26 9 C4H2b 0.770 1.880 19.985 -1.000 1.880 -1.000 bad 1742 261 . DPG C27 9 C4H2b 0.770 1.880 4.742 28.408 1.880 15.111 possible 1743 261 . DPG C28 9 C4H2b 0.770 1.880 2.853 15.209 1.880 8.090 [OK] 1744 261 . DPG C29 9 C4H2b 0.770 1.880 5.431 52.153 1.880 27.741 possible 1745 261 . DPG C30 9 C4H2b 0.770 1.880 34.543 -1.000 1.880 -1.000 bad 1746 261 . DPG C41 9 C4H2b 0.770 1.880 7.601 37.686 1.880 20.046 possible 1747 261 . DPG C42 9 C4H2b 0.770 1.880 3.647 27.069 1.880 14.398 possible 1748 261 . DPG C43 9 C4H2b 0.770 1.880 6.316 29.022 1.880 15.437 possible 1749 261 . DPG C44 9 C4H2b 0.770 1.880 30.084 -1.000 1.880 -1.000 bad 1750 261 . DPG C45 9 C4H2b 0.770 1.880 3.712 32.748 1.880 17.419 possible 1751 261 . DPG C46 9 C4H2b 0.770 1.880 6.802 38.465 1.880 20.460 possible 1752 261 . DPG C47 9 C4H2b 0.770 1.880 3.246 28.573 1.880 15.199 possible 1753 261 . DPG C48 9 C4H2b 0.770 1.880 3.342 18.371 1.880 9.772 possible 1754 261 . DPG C49 9 C4H2b 0.770 1.880 6.134 63.053 1.880 33.539 possible 1755 261 . DPG C50 9 C4H2b 0.770 1.880 5.431 38.343 1.880 20.395 possible 1756 261 . DPG C51 9 C4H2b 0.770 1.880 4.201 34.602 1.880 18.405 possible 1757 261 . DPG C52 9 C4H2b 0.770 1.880 28.365 -1.000 1.880 -1.000 bad 1758 261 . DPG C53 9 C4H2b 0.770 1.880 10.669 -1.000 1.880 -1.000 bad 1759 261 . DPG C54 9 C4H2b 0.770 1.880 10.204 -1.000 1.880 -1.000 bad 1760 261 . DPG C55 9 C4H2b 0.770 1.880 5.419 38.030 1.880 20.229 possible 1761 261 . DPG C56 9 C4H2b 0.770 1.880 5.516 33.427 1.880 17.780 possible 1762 261 . DPG C57 9 C4H2b 0.770 1.880 7.100 52.798 1.880 28.084 possible 1763 261 . DPG C58 9 C4H2b 0.770 1.880 3.311 11.402 1.880 6.065 possible 1764 261 . DPG C59 9 C4H2b 0.770 1.880 5.318 61.109 1.880 32.505 possible 1765 261 . DPG C60 9 C4H2b 0.770 1.880 53.280 -1.000 1.880 -1.000 bad 1766 261 . DPG O1 17 O2H1u 0.660 1.460 4.584 -1.000 1.460 -1.000 bad 1767 261 . DPG O2 17 O2H1u 0.660 1.460 2.749 14.730 1.460 10.089 [OK] 1768 261 . DPG O3 17 O2H1u 0.660 1.460 3.228 14.345 1.460 9.825 possible 1769 261 . DPG O4 17 O2H1u 0.660 1.460 19.420 -1.000 1.460 -1.000 bad 1770 261 . DPG O5 17 O2H1u 0.660 1.460 5.262 40.836 1.460 27.970 possible 1771 261 . DPG O6 17 O2H1u 0.660 1.460 4.876 32.861 1.460 22.508 possible 1772 261 . DPG O7 17 O2H1u 0.660 1.460 36.939 -1.000 1.460 -1.000 bad 1773 261 . DPG O8 17 O2H1u 0.660 1.460 3.634 24.247 1.460 16.608 possible 1774 261 . DPG O9 17 O2H1u 0.660 1.460 3.857 37.819 1.460 25.904 possible 1775 261 . DPG O10 17 O2H1u 0.660 1.460 41.107 -1.000 1.460 -1.000 bad 1776 261 . DPG O11 17 O2H1u 0.660 1.460 25.713 -1.000 1.460 -1.000 bad 1777 261 . DPG P1 25 DEFAULT 0.770 1.800 2.490 8.124 1.800 4.513 [OK] 1778 261 . DPG P2 25 DEFAULT 0.770 1.800 2.615 7.941 1.800 4.412 [OK] 1779 262 . DPG C1 9 C4H2b 0.770 1.880 3.263 22.828 1.880 12.143 possible 1780 262 . DPG C2 9 C4H2b 0.770 1.880 4.906 16.612 1.880 8.836 possible 1781 262 . DPG C3 9 C4H2b 0.770 1.880 3.648 26.564 1.880 14.130 possible 1782 262 . DPG C4 9 C4H2b 0.770 1.880 23.179 -1.000 1.880 -1.000 bad 1783 262 . DPG C5 9 C4H2b 0.770 1.880 18.712 -1.000 1.880 -1.000 bad 1784 262 . DPG C6 9 C4H2b 0.770 1.880 23.299 -1.000 1.880 -1.000 bad 1785 262 . DPG C11 9 C4H2b 0.770 1.880 21.597 -1.000 1.880 -1.000 bad 1786 262 . DPG C12 9 C4H2b 0.770 1.880 3.051 22.744 1.880 12.098 possible 1787 262 . DPG C13 9 C4H2b 0.770 1.880 3.220 14.736 1.880 7.838 possible 1788 262 . DPG C14 9 C4H2b 0.770 1.880 43.004 -1.000 1.880 -1.000 bad 1789 262 . DPG C15 9 C4H2b 0.770 1.880 8.574 -1.000 1.880 -1.000 bad 1790 262 . DPG C16 9 C4H2b 0.770 1.880 16.219 -1.000 1.880 -1.000 bad 1791 262 . DPG C17 9 C4H2b 0.770 1.880 13.427 -1.000 1.880 -1.000 bad 1792 262 . DPG C18 9 C4H2b 0.770 1.880 7.361 33.104 1.880 17.609 possible 1793 262 . DPG C19 9 C4H2b 0.770 1.880 4.165 50.392 1.880 26.804 possible 1794 262 . DPG C20 9 C4H2b 0.770 1.880 14.912 -1.000 1.880 -1.000 bad 1795 262 . DPG C21 9 C4H2b 0.770 1.880 20.204 -1.000 1.880 -1.000 bad 1796 262 . DPG C22 9 C4H2b 0.770 1.880 24.502 -1.000 1.880 -1.000 bad 1797 262 . DPG C23 9 C4H2b 0.770 1.880 9.886 -1.000 1.880 -1.000 bad 1798 262 . DPG C24 9 C4H2b 0.770 1.880 3.727 30.410 1.880 16.176 possible 1799 262 . DPG C25 9 C4H2b 0.770 1.880 20.047 -1.000 1.880 -1.000 bad 1800 262 . DPG C26 9 C4H2b 0.770 1.880 7.847 51.656 1.880 27.477 possible 1801 262 . DPG C27 9 C4H2b 0.770 1.880 21.493 -1.000 1.880 -1.000 bad 1802 262 . DPG C28 9 C4H2b 0.770 1.880 3.793 15.897 1.880 8.456 possible 1803 262 . DPG C29 9 C4H2b 0.770 1.880 55.225 -1.000 1.880 -1.000 bad 1804 262 . DPG C30 9 C4H2b 0.770 1.880 52.481 -1.000 1.880 -1.000 bad 1805 262 . DPG C41 9 C4H2b 0.770 1.880 18.336 -1.000 1.880 -1.000 bad 1806 262 . DPG C42 9 C4H2b 0.770 1.880 4.041 32.542 1.880 17.310 possible 1807 262 . DPG C43 9 C4H2b 0.770 1.880 3.017 15.747 1.880 8.376 possible 1808 262 . DPG C44 9 C4H2b 0.770 1.880 19.639 -1.000 1.880 -1.000 bad 1809 262 . DPG C45 9 C4H2b 0.770 1.880 3.394 25.859 1.880 13.755 possible 1810 262 . DPG C46 9 C4H2b 0.770 1.880 5.056 34.462 1.880 18.331 possible 1811 262 . DPG C47 9 C4H2b 0.770 1.880 3.300 23.785 1.880 12.652 possible 1812 262 . DPG C48 9 C4H2b 0.770 1.880 2.921 16.339 1.880 8.691 [OK] 1813 262 . DPG C49 9 C4H2b 0.770 1.880 3.716 49.122 1.880 26.129 possible 1814 262 . DPG C50 9 C4H2b 0.770 1.880 6.685 46.764 1.880 24.874 possible 1815 262 . DPG C51 9 C4H2b 0.770 1.880 2.973 22.487 1.880 11.961 [OK] 1816 262 . DPG C52 9 C4H2b 0.770 1.880 23.589 -1.000 1.880 -1.000 bad 1817 262 . DPG C53 9 C4H2b 0.770 1.880 11.006 -1.000 1.880 -1.000 bad 1818 262 . DPG C54 9 C4H2b 0.770 1.880 5.541 46.162 1.880 24.554 possible 1819 262 . DPG C55 9 C4H2b 0.770 1.880 5.098 32.123 1.880 17.087 possible 1820 262 . DPG C56 9 C4H2b 0.770 1.880 7.120 46.741 1.880 24.862 possible 1821 262 . DPG C57 9 C4H2b 0.770 1.880 4.164 25.388 1.880 13.504 possible 1822 262 . DPG C58 9 C4H2b 0.770 1.880 6.339 28.704 1.880 15.268 possible 1823 262 . DPG C59 9 C4H2b 0.770 1.880 48.022 -1.000 1.880 -1.000 bad 1824 262 . DPG C60 9 C4H2b 0.770 1.880 5.519 48.528 1.880 25.813 possible 1825 262 . DPG O1 17 O2H1u 0.660 1.460 5.693 -1.000 1.460 -1.000 bad 1826 262 . DPG O2 17 O2H1u 0.660 1.460 4.139 20.548 1.460 14.074 possible 1827 262 . DPG O3 17 O2H1u 0.660 1.460 7.356 51.055 1.460 34.969 possible 1828 262 . DPG O4 17 O2H1u 0.660 1.460 47.227 -1.000 1.460 -1.000 bad 1829 262 . DPG O5 17 O2H1u 0.660 1.460 39.741 -1.000 1.460 -1.000 bad 1830 262 . DPG O6 17 O2H1u 0.660 1.460 9.887 -1.000 1.460 -1.000 bad 1831 262 . DPG O7 17 O2H1u 0.660 1.460 3.959 42.842 1.460 29.344 possible 1832 262 . DPG O8 17 O2H1u 0.660 1.460 3.827 23.128 1.460 15.841 possible 1833 262 . DPG O9 17 O2H1u 0.660 1.460 30.167 -1.000 1.460 -1.000 bad 1834 262 . DPG O10 17 O2H1u 0.660 1.460 38.976 -1.000 1.460 -1.000 bad 1835 262 . DPG O11 17 O2H1u 0.660 1.460 44.341 -1.000 1.460 -1.000 bad 1836 262 . DPG P1 25 DEFAULT 0.770 1.800 2.993 8.478 1.800 4.710 [OK] 1837 262 . DPG P2 25 DEFAULT 0.770 1.800 2.609 7.981 1.800 4.434 [OK] 1838 263 . DPG C1 9 C4H2b 0.770 1.880 5.057 44.138 1.880 23.477 possible 1839 263 . DPG C2 9 C4H2b 0.770 1.880 3.624 18.092 1.880 9.624 possible 1840 263 . DPG C3 9 C4H2b 0.770 1.880 6.487 48.914 1.880 26.018 possible 1841 263 . DPG C4 9 C4H2b 0.770 1.880 29.651 -1.000 1.880 -1.000 bad 1842 263 . DPG C5 9 C4H2b 0.770 1.880 5.249 35.635 1.880 18.955 possible 1843 263 . DPG C6 9 C4H2b 0.770 1.880 25.964 -1.000 1.880 -1.000 bad 1844 263 . DPG C11 9 C4H2b 0.770 1.880 5.477 42.582 1.880 22.650 possible 1845 263 . DPG C12 9 C4H2b 0.770 1.880 3.841 25.065 1.880 13.332 possible 1846 263 . DPG C13 9 C4H2b 0.770 1.880 6.404 25.693 1.880 13.667 possible 1847 263 . DPG C14 9 C4H2b 0.770 1.880 3.999 36.105 1.880 19.205 possible 1848 263 . DPG C15 9 C4H2b 0.770 1.880 5.857 33.138 1.880 17.627 possible 1849 263 . DPG C16 9 C4H2b 0.770 1.880 14.330 -1.000 1.880 -1.000 bad 1850 263 . DPG C17 9 C4H2b 0.770 1.880 4.531 30.774 1.880 16.369 possible 1851 263 . DPG C18 9 C4H2b 0.770 1.880 3.323 18.309 1.880 9.739 possible 1852 263 . DPG C19 9 C4H2b 0.770 1.880 32.366 -1.000 1.880 -1.000 bad 1853 263 . DPG C20 9 C4H2b 0.770 1.880 5.712 35.224 1.880 18.736 possible 1854 263 . DPG C21 9 C4H2b 0.770 1.880 3.844 34.996 1.880 18.615 possible 1855 263 . DPG C22 9 C4H2b 0.770 1.880 7.532 40.046 1.880 21.301 possible 1856 263 . DPG C23 9 C4H2b 0.770 1.880 7.763 52.204 1.880 27.768 possible 1857 263 . DPG C24 9 C4H2b 0.770 1.880 3.789 40.416 1.880 21.498 possible 1858 263 . DPG C25 9 C4H2b 0.770 1.880 6.316 28.917 1.880 15.381 possible 1859 263 . DPG C26 9 C4H2b 0.770 1.880 16.810 -1.000 1.880 -1.000 bad 1860 263 . DPG C27 9 C4H2b 0.770 1.880 3.089 19.508 1.880 10.376 possible 1861 263 . DPG C28 9 C4H2b 0.770 1.880 7.398 -1.000 1.880 -1.000 bad 1862 263 . DPG C29 9 C4H2b 0.770 1.880 26.520 -1.000 1.880 -1.000 bad 1863 263 . DPG C30 9 C4H2b 0.770 1.880 52.377 -1.000 1.880 -1.000 bad 1864 263 . DPG C41 9 C4H2b 0.770 1.880 5.689 28.751 1.880 15.293 possible 1865 263 . DPG C42 9 C4H2b 0.770 1.880 3.223 21.343 1.880 11.352 possible 1866 263 . DPG C43 9 C4H2b 0.770 1.880 4.561 18.836 1.880 10.019 possible 1867 263 . DPG C44 9 C4H2b 0.770 1.880 34.882 -1.000 1.880 -1.000 bad 1868 263 . DPG C45 9 C4H2b 0.770 1.880 2.887 21.715 1.880 11.551 [OK] 1869 263 . DPG C46 9 C4H2b 0.770 1.880 6.751 46.672 1.880 24.826 possible 1870 263 . DPG C47 9 C4H2b 0.770 1.880 2.924 24.182 1.880 12.863 [OK] 1871 263 . DPG C48 9 C4H2b 0.770 1.880 3.500 18.271 1.880 9.719 possible 1872 263 . DPG C49 9 C4H2b 0.770 1.880 27.180 -1.000 1.880 -1.000 bad 1873 263 . DPG C50 9 C4H2b 0.770 1.880 6.428 36.697 1.880 19.520 possible 1874 263 . DPG C51 9 C4H2b 0.770 1.880 6.728 48.118 1.880 25.595 possible 1875 263 . DPG C52 9 C4H2b 0.770 1.880 5.680 32.431 1.880 17.251 possible 1876 263 . DPG C53 9 C4H2b 0.770 1.880 2.830 13.392 1.880 7.124 [OK] 1877 263 . DPG C54 9 C4H2b 0.770 1.880 4.045 52.622 1.880 27.991 possible 1878 263 . DPG C55 9 C4H2b 0.770 1.880 10.744 -1.000 1.880 -1.000 bad 1879 263 . DPG C56 9 C4H2b 0.770 1.880 3.760 28.324 1.880 15.066 possible 1880 263 . DPG C57 9 C4H2b 0.770 1.880 7.780 63.246 1.880 33.641 possible 1881 263 . DPG C58 9 C4H2b 0.770 1.880 3.092 14.674 1.880 7.805 possible 1882 263 . DPG C59 9 C4H2b 0.770 1.880 33.185 -1.000 1.880 -1.000 bad 1883 263 . DPG C60 9 C4H2b 0.770 1.880 4.384 64.343 1.880 34.225 possible 1884 263 . DPG O1 17 O2H1u 0.660 1.460 4.298 26.895 1.460 18.421 possible 1885 263 . DPG O2 17 O2H1u 0.660 1.460 2.933 16.589 1.460 11.362 [OK] 1886 263 . DPG O3 17 O2H1u 0.660 1.460 3.206 14.514 1.460 9.941 possible 1887 263 . DPG O4 17 O2H1u 0.660 1.460 33.011 -1.000 1.460 -1.000 bad 1888 263 . DPG O5 17 O2H1u 0.660 1.460 15.610 -1.000 1.460 -1.000 bad 1889 263 . DPG O6 17 O2H1u 0.660 1.460 3.486 18.915 1.460 12.956 possible 1890 263 . DPG O7 17 O2H1u 0.660 1.460 42.056 -1.000 1.460 -1.000 bad 1891 263 . DPG O8 17 O2H1u 0.660 1.460 3.458 20.599 1.460 14.109 possible 1892 263 . DPG O9 17 O2H1u 0.660 1.460 32.916 -1.000 1.460 -1.000 bad 1893 263 . DPG O10 17 O2H1u 0.660 1.460 4.669 49.999 1.460 34.246 possible 1894 263 . DPG O11 17 O2H1u 0.660 1.460 40.619 -1.000 1.460 -1.000 bad 1895 263 . DPG P1 25 DEFAULT 0.770 1.800 2.491 8.399 1.800 4.666 [OK] 1896 263 . DPG P2 25 DEFAULT 0.770 1.800 2.614 7.898 1.800 4.388 [OK] 1897 264 . DPG C1 9 C4H2b 0.770 1.880 3.058 23.934 1.880 12.731 possible 1898 264 . DPG C2 9 C4H2b 0.770 1.880 4.848 21.756 1.880 11.572 possible 1899 264 . DPG C3 9 C4H2b 0.770 1.880 4.393 33.102 1.880 17.607 possible 1900 264 . DPG C4 9 C4H2b 0.770 1.880 24.245 -1.000 1.880 -1.000 bad 1901 264 . DPG C5 9 C4H2b 0.770 1.880 4.978 26.896 1.880 14.307 possible 1902 264 . DPG C6 9 C4H2b 0.770 1.880 28.101 -1.000 1.880 -1.000 bad 1903 264 . DPG C11 9 C4H2b 0.770 1.880 32.650 -1.000 1.880 -1.000 bad 1904 264 . DPG C12 9 C4H2b 0.770 1.880 6.566 45.220 1.880 24.053 possible 1905 264 . DPG C13 9 C4H2b 0.770 1.880 5.099 -1.000 1.880 -1.000 bad 1906 264 . DPG C14 9 C4H2b 0.770 1.880 42.756 -1.000 1.880 -1.000 bad 1907 264 . DPG C15 9 C4H2b 0.770 1.880 4.484 40.688 1.880 21.642 possible 1908 264 . DPG C16 9 C4H2b 0.770 1.880 8.612 -1.000 1.880 -1.000 bad 1909 264 . DPG C17 9 C4H2b 0.770 1.880 3.739 28.034 1.880 14.912 possible 1910 264 . DPG C18 9 C4H2b 0.770 1.880 4.388 18.490 1.880 9.835 possible 1911 264 . DPG C19 9 C4H2b 0.770 1.880 29.226 -1.000 1.880 -1.000 bad 1912 264 . DPG C20 9 C4H2b 0.770 1.880 3.848 24.385 1.880 12.971 possible 1913 264 . DPG C21 9 C4H2b 0.770 1.880 6.626 35.357 1.880 18.807 possible 1914 264 . DPG C22 9 C4H2b 0.770 1.880 2.731 20.495 1.880 10.902 [OK] 1915 264 . DPG C23 9 C4H2b 0.770 1.880 2.880 16.745 1.880 8.907 [OK] 1916 264 . DPG C24 9 C4H2b 0.770 1.880 34.812 -1.000 1.880 -1.000 bad 1917 264 . DPG C25 9 C4H2b 0.770 1.880 5.621 34.796 1.880 18.509 possible 1918 264 . DPG C26 9 C4H2b 0.770 1.880 12.422 -1.000 1.880 -1.000 bad 1919 264 . DPG C27 9 C4H2b 0.770 1.880 3.849 24.005 1.880 12.769 possible 1920 264 . DPG C28 9 C4H2b 0.770 1.880 4.104 17.390 1.880 9.250 possible 1921 264 . DPG C29 9 C4H2b 0.770 1.880 5.309 48.197 1.880 25.637 possible 1922 264 . DPG C30 9 C4H2b 0.770 1.880 37.397 -1.000 1.880 -1.000 bad 1923 264 . DPG C41 9 C4H2b 0.770 1.880 4.816 30.280 1.880 16.107 possible 1924 264 . DPG C42 9 C4H2b 0.770 1.880 20.550 -1.000 1.880 -1.000 bad 1925 264 . DPG C43 9 C4H2b 0.770 1.880 7.445 34.972 1.880 18.602 possible 1926 264 . DPG C44 9 C4H2b 0.770 1.880 3.346 32.884 1.880 17.492 possible 1927 264 . DPG C45 9 C4H2b 0.770 1.880 24.805 -1.000 1.880 -1.000 bad 1928 264 . DPG C46 9 C4H2b 0.770 1.880 4.239 28.576 1.880 15.200 possible 1929 264 . DPG C47 9 C4H2b 0.770 1.880 28.271 -1.000 1.880 -1.000 bad 1930 264 . DPG C48 9 C4H2b 0.770 1.880 13.256 -1.000 1.880 -1.000 bad 1931 264 . DPG C49 9 C4H2b 0.770 1.880 43.115 -1.000 1.880 -1.000 bad 1932 264 . DPG C50 9 C4H2b 0.770 1.880 6.878 -1.000 1.880 -1.000 bad 1933 264 . DPG C51 9 C4H2b 0.770 1.880 10.197 -1.000 1.880 -1.000 bad 1934 264 . DPG C52 9 C4H2b 0.770 1.880 15.693 -1.000 1.880 -1.000 bad 1935 264 . DPG C53 9 C4H2b 0.770 1.880 6.463 25.687 1.880 13.663 possible 1936 264 . DPG C54 9 C4H2b 0.770 1.880 4.063 35.877 1.880 19.083 possible 1937 264 . DPG C55 9 C4H2b 0.770 1.880 19.829 -1.000 1.880 -1.000 bad 1938 264 . DPG C56 9 C4H2b 0.770 1.880 16.423 -1.000 1.880 -1.000 bad 1939 264 . DPG C57 9 C4H2b 0.770 1.880 26.689 -1.000 1.880 -1.000 bad 1940 264 . DPG C58 9 C4H2b 0.770 1.880 3.905 16.027 1.880 8.525 possible 1941 264 . DPG C59 9 C4H2b 0.770 1.880 61.157 -1.000 1.880 -1.000 bad 1942 264 . DPG C60 9 C4H2b 0.770 1.880 32.994 -1.000 1.880 -1.000 bad 1943 264 . DPG O1 17 O2H1u 0.660 1.460 4.408 -1.000 1.460 -1.000 bad 1944 264 . DPG O2 17 O2H1u 0.660 1.460 5.673 38.215 1.460 26.174 possible 1945 264 . DPG O3 17 O2H1u 0.660 1.460 7.790 55.320 1.460 37.891 possible 1946 264 . DPG O4 17 O2H1u 0.660 1.460 43.127 -1.000 1.460 -1.000 bad 1947 264 . DPG O5 17 O2H1u 0.660 1.460 30.240 -1.000 1.460 -1.000 bad 1948 264 . DPG O6 17 O2H1u 0.660 1.460 4.858 31.592 1.460 21.639 possible 1949 264 . DPG O7 17 O2H1u 0.660 1.460 42.379 -1.000 1.460 -1.000 bad 1950 264 . DPG O8 17 O2H1u 0.660 1.460 9.003 -1.000 1.460 -1.000 bad 1951 264 . DPG O9 17 O2H1u 0.660 1.460 48.440 -1.000 1.460 -1.000 bad 1952 264 . DPG O10 17 O2H1u 0.660 1.460 41.416 -1.000 1.460 -1.000 bad 1953 264 . DPG O11 17 O2H1u 0.660 1.460 41.234 -1.000 1.460 -1.000 bad 1954 264 . DPG P1 25 DEFAULT 0.770 1.800 2.737 8.415 1.800 4.675 [OK] 1955 264 . DPG P2 25 DEFAULT 0.770 1.800 2.622 7.942 1.800 4.412 [OK] 1956 265 . DPG C1 9 C4H2b 0.770 1.880 4.721 34.796 1.880 18.508 possible 1957 265 . DPG C2 9 C4H2b 0.770 1.880 3.606 15.089 1.880 8.026 possible 1958 265 . DPG C3 9 C4H2b 0.770 1.880 5.764 35.947 1.880 19.121 possible 1959 265 . DPG C4 9 C4H2b 0.770 1.880 18.946 -1.000 1.880 -1.000 bad 1960 265 . DPG C5 9 C4H2b 0.770 1.880 3.634 18.980 1.880 10.096 possible 1961 265 . DPG C6 9 C4H2b 0.770 1.880 16.634 -1.000 1.880 -1.000 bad 1962 265 . DPG C11 9 C4H2b 0.770 1.880 6.500 65.138 1.880 34.648 possible 1963 265 . DPG C12 9 C4H2b 0.770 1.880 5.037 30.124 1.880 16.024 possible 1964 265 . DPG C13 9 C4H2b 0.770 1.880 7.540 45.092 1.880 23.985 possible 1965 265 . DPG C14 9 C4H2b 0.770 1.880 23.356 -1.000 1.880 -1.000 bad 1966 265 . DPG C15 9 C4H2b 0.770 1.880 8.606 -1.000 1.880 -1.000 bad 1967 265 . DPG C16 9 C4H2b 0.770 1.880 18.052 -1.000 1.880 -1.000 bad 1968 265 . DPG C17 9 C4H2b 0.770 1.880 6.190 46.137 1.880 24.541 possible 1969 265 . DPG C18 9 C4H2b 0.770 1.880 4.491 20.968 1.880 11.153 possible 1970 265 . DPG C19 9 C4H2b 0.770 1.880 51.215 -1.000 1.880 -1.000 bad 1971 265 . DPG C20 9 C4H2b 0.770 1.880 3.665 28.189 1.880 14.994 possible 1972 265 . DPG C21 9 C4H2b 0.770 1.880 4.398 29.584 1.880 15.736 possible 1973 265 . DPG C22 9 C4H2b 0.770 1.880 4.702 36.777 1.880 19.562 possible 1974 265 . DPG C23 9 C4H2b 0.770 1.880 4.218 22.355 1.880 11.891 possible 1975 265 . DPG C24 9 C4H2b 0.770 1.880 3.544 38.893 1.880 20.688 possible 1976 265 . DPG C25 9 C4H2b 0.770 1.880 3.409 27.507 1.880 14.631 possible 1977 265 . DPG C26 9 C4H2b 0.770 1.880 5.436 44.235 1.880 23.529 possible 1978 265 . DPG C27 9 C4H2b 0.770 1.880 3.321 27.252 1.880 14.496 possible 1979 265 . DPG C28 9 C4H2b 0.770 1.880 9.080 -1.000 1.880 -1.000 bad 1980 265 . DPG C29 9 C4H2b 0.770 1.880 35.987 -1.000 1.880 -1.000 bad 1981 265 . DPG C30 9 C4H2b 0.770 1.880 31.385 -1.000 1.880 -1.000 bad 1982 265 . DPG C41 9 C4H2b 0.770 1.880 3.594 28.550 1.880 15.186 possible 1983 265 . DPG C42 9 C4H2b 0.770 1.880 4.387 27.809 1.880 14.792 possible 1984 265 . DPG C43 9 C4H2b 0.770 1.880 3.327 13.361 1.880 7.107 possible 1985 265 . DPG C44 9 C4H2b 0.770 1.880 3.955 42.403 1.880 22.555 possible 1986 265 . DPG C45 9 C4H2b 0.770 1.880 3.554 25.226 1.880 13.418 possible 1987 265 . DPG C46 9 C4H2b 0.770 1.880 3.373 26.709 1.880 14.207 possible 1988 265 . DPG C47 9 C4H2b 0.770 1.880 3.690 30.685 1.880 16.322 possible 1989 265 . DPG C48 9 C4H2b 0.770 1.880 3.052 15.930 1.880 8.474 possible 1990 265 . DPG C49 9 C4H2b 0.770 1.880 4.330 46.852 1.880 24.921 possible 1991 265 . DPG C50 9 C4H2b 0.770 1.880 3.723 24.737 1.880 13.158 possible 1992 265 . DPG C51 9 C4H2b 0.770 1.880 3.289 26.418 1.880 14.052 possible 1993 265 . DPG C52 9 C4H2b 0.770 1.880 3.240 22.966 1.880 12.216 possible 1994 265 . DPG C53 9 C4H2b 0.770 1.880 3.224 13.673 1.880 7.273 possible 1995 265 . DPG C54 9 C4H2b 0.770 1.880 4.045 50.505 1.880 26.865 possible 1996 265 . DPG C55 9 C4H2b 0.770 1.880 3.163 24.661 1.880 13.117 possible 1997 265 . DPG C56 9 C4H2b 0.770 1.880 3.641 27.635 1.880 14.700 possible 1998 265 . DPG C57 9 C4H2b 0.770 1.880 3.278 24.627 1.880 13.099 possible 1999 265 . DPG C58 9 C4H2b 0.770 1.880 6.117 19.580 1.880 10.415 possible 2000 265 . DPG C59 9 C4H2b 0.770 1.880 30.041 -1.000 1.880 -1.000 bad 2001 265 . DPG C60 9 C4H2b 0.770 1.880 33.325 -1.000 1.880 -1.000 bad 2002 265 . DPG O1 17 O2H1u 0.660 1.460 3.630 20.668 1.460 14.156 possible 2003 265 . DPG O2 17 O2H1u 0.660 1.460 6.089 41.061 1.460 28.124 possible 2004 265 . DPG O3 17 O2H1u 0.660 1.460 4.194 19.014 1.460 13.023 possible 2005 265 . DPG O4 17 O2H1u 0.660 1.460 25.060 -1.000 1.460 -1.000 bad 2006 265 . DPG O5 17 O2H1u 0.660 1.460 4.065 55.128 1.460 37.759 possible 2007 265 . DPG O6 17 O2H1u 0.660 1.460 6.248 29.725 1.460 20.360 possible 2008 265 . DPG O7 17 O2H1u 0.660 1.460 33.917 -1.000 1.460 -1.000 bad 2009 265 . DPG O8 17 O2H1u 0.660 1.460 4.727 31.889 1.460 21.842 possible 2010 265 . DPG O9 17 O2H1u 0.660 1.460 32.859 -1.000 1.460 -1.000 bad 2011 265 . DPG O10 17 O2H1u 0.660 1.460 47.333 -1.000 1.460 -1.000 bad 2012 265 . DPG O11 17 O2H1u 0.660 1.460 39.345 -1.000 1.460 -1.000 bad 2013 265 . DPG P1 25 DEFAULT 0.770 1.800 2.738 8.500 1.800 4.722 [OK] 2014 265 . DPG P2 25 DEFAULT 0.770 1.800 2.613 7.963 1.800 4.424 [OK] 2015 266 . DPG C1 9 C4H2b 0.770 1.880 34.496 -1.000 1.880 -1.000 bad 2016 266 . DPG C2 9 C4H2b 0.770 1.880 5.623 30.708 1.880 16.334 possible 2017 266 . DPG C3 9 C4H2b 0.770 1.880 3.474 20.163 1.880 10.725 possible 2018 266 . DPG C4 9 C4H2b 0.770 1.880 4.198 28.098 1.880 14.946 possible 2019 266 . DPG C5 9 C4H2b 0.770 1.880 3.020 13.046 1.880 6.939 possible 2020 266 . DPG C6 9 C4H2b 0.770 1.880 35.582 -1.000 1.880 -1.000 bad 2021 266 . DPG C11 9 C4H2b 0.770 1.880 23.807 -1.000 1.880 -1.000 bad 2022 266 . DPG C12 9 C4H2b 0.770 1.880 21.498 -1.000 1.880 -1.000 bad 2023 266 . DPG C13 9 C4H2b 0.770 1.880 3.547 17.398 1.880 9.254 possible 2024 266 . DPG C14 9 C4H2b 0.770 1.880 51.352 -1.000 1.880 -1.000 bad 2025 266 . DPG C15 9 C4H2b 0.770 1.880 9.646 -1.000 1.880 -1.000 bad 2026 266 . DPG C16 9 C4H2b 0.770 1.880 5.150 29.987 1.880 15.951 possible 2027 266 . DPG C17 9 C4H2b 0.770 1.880 4.198 21.958 1.880 11.680 possible 2028 266 . DPG C18 9 C4H2b 0.770 1.880 6.374 24.183 1.880 12.863 possible 2029 266 . DPG C19 9 C4H2b 0.770 1.880 31.265 -1.000 1.880 -1.000 bad 2030 266 . DPG C20 9 C4H2b 0.770 1.880 3.369 30.404 1.880 16.172 possible 2031 266 . DPG C21 9 C4H2b 0.770 1.880 7.321 44.762 1.880 23.809 possible 2032 266 . DPG C22 9 C4H2b 0.770 1.880 3.339 27.233 1.880 14.486 possible 2033 266 . DPG C23 9 C4H2b 0.770 1.880 7.770 -1.000 1.880 -1.000 bad 2034 266 . DPG C24 9 C4H2b 0.770 1.880 20.468 -1.000 1.880 -1.000 bad 2035 266 . DPG C25 9 C4H2b 0.770 1.880 3.767 29.828 1.880 15.866 possible 2036 266 . DPG C26 9 C4H2b 0.770 1.880 9.800 -1.000 1.880 -1.000 bad 2037 266 . DPG C27 9 C4H2b 0.770 1.880 3.741 35.020 1.880 18.628 possible 2038 266 . DPG C28 9 C4H2b 0.770 1.880 7.455 25.325 1.880 13.471 possible 2039 266 . DPG C29 9 C4H2b 0.770 1.880 4.748 37.190 1.880 19.782 possible 2040 266 . DPG C30 9 C4H2b 0.770 1.880 33.023 -1.000 1.880 -1.000 bad 2041 266 . DPG C41 9 C4H2b 0.770 1.880 4.583 26.142 1.880 13.905 possible 2042 266 . DPG C42 9 C4H2b 0.770 1.880 3.195 22.824 1.880 12.140 possible 2043 266 . DPG C43 9 C4H2b 0.770 1.880 2.964 17.173 1.880 9.134 [OK] 2044 266 . DPG C44 9 C4H2b 0.770 1.880 3.459 36.638 1.880 19.489 possible 2045 266 . DPG C45 9 C4H2b 0.770 1.880 4.963 34.614 1.880 18.412 possible 2046 266 . DPG C46 9 C4H2b 0.770 1.880 3.368 27.210 1.880 14.474 possible 2047 266 . DPG C47 9 C4H2b 0.770 1.880 18.913 -1.000 1.880 -1.000 bad 2048 266 . DPG C48 9 C4H2b 0.770 1.880 11.650 -1.000 1.880 -1.000 bad 2049 266 . DPG C49 9 C4H2b 0.770 1.880 25.976 -1.000 1.880 -1.000 bad 2050 266 . DPG C50 9 C4H2b 0.770 1.880 4.108 30.139 1.880 16.032 possible 2051 266 . DPG C51 9 C4H2b 0.770 1.880 10.727 -1.000 1.880 -1.000 bad 2052 266 . DPG C52 9 C4H2b 0.770 1.880 3.372 29.980 1.880 15.947 possible 2053 266 . DPG C53 9 C4H2b 0.770 1.880 6.372 28.396 1.880 15.104 possible 2054 266 . DPG C54 9 C4H2b 0.770 1.880 49.787 -1.000 1.880 -1.000 bad 2055 266 . DPG C55 9 C4H2b 0.770 1.880 3.767 36.743 1.880 19.544 possible 2056 266 . DPG C56 9 C4H2b 0.770 1.880 5.936 39.638 1.880 21.084 possible 2057 266 . DPG C57 9 C4H2b 0.770 1.880 4.323 38.694 1.880 20.582 possible 2058 266 . DPG C58 9 C4H2b 0.770 1.880 4.079 18.738 1.880 9.967 possible 2059 266 . DPG C59 9 C4H2b 0.770 1.880 52.517 -1.000 1.880 -1.000 bad 2060 266 . DPG C60 9 C4H2b 0.770 1.880 3.481 33.871 1.880 18.016 possible 2061 266 . DPG O1 17 O2H1u 0.660 1.460 8.186 -1.000 1.460 -1.000 bad 2062 266 . DPG O2 17 O2H1u 0.660 1.460 4.070 23.649 1.460 16.198 possible 2063 266 . DPG O3 17 O2H1u 0.660 1.460 3.273 16.226 1.460 11.114 possible 2064 266 . DPG O4 17 O2H1u 0.660 1.460 23.841 -1.000 1.460 -1.000 bad 2065 266 . DPG O5 17 O2H1u 0.660 1.460 41.818 -1.000 1.460 -1.000 bad 2066 266 . DPG O6 17 O2H1u 0.660 1.460 3.926 18.828 1.460 12.896 possible 2067 266 . DPG O7 17 O2H1u 0.660 1.460 21.418 -1.000 1.460 -1.000 bad 2068 266 . DPG O8 17 O2H1u 0.660 1.460 13.031 -1.000 1.460 -1.000 bad 2069 266 . DPG O9 17 O2H1u 0.660 1.460 27.789 -1.000 1.460 -1.000 bad 2070 266 . DPG O10 17 O2H1u 0.660 1.460 47.828 -1.000 1.460 -1.000 bad 2071 266 . DPG O11 17 O2H1u 0.660 1.460 45.314 -1.000 1.460 -1.000 bad 2072 266 . DPG P1 25 DEFAULT 0.770 1.800 2.966 8.460 1.800 4.700 [OK] 2073 266 . DPG P2 25 DEFAULT 0.770 1.800 2.617 7.960 1.800 4.422 [OK] 2074 267 . DPG C1 9 C4H2b 0.770 1.880 13.088 -1.000 1.880 -1.000 bad 2075 267 . DPG C2 9 C4H2b 0.770 1.880 2.822 12.572 1.880 6.687 [OK] 2076 267 . DPG C3 9 C4H2b 0.770 1.880 6.912 39.048 1.880 20.770 possible 2077 267 . DPG C4 9 C4H2b 0.770 1.880 3.927 32.268 1.880 17.164 possible 2078 267 . DPG C5 9 C4H2b 0.770 1.880 13.910 -1.000 1.880 -1.000 bad 2079 267 . DPG C6 9 C4H2b 0.770 1.880 29.668 -1.000 1.880 -1.000 bad 2080 267 . DPG C11 9 C4H2b 0.770 1.880 30.772 -1.000 1.880 -1.000 bad 2081 267 . DPG C12 9 C4H2b 0.770 1.880 6.393 38.357 1.880 20.402 possible 2082 267 . DPG C13 9 C4H2b 0.770 1.880 9.909 -1.000 1.880 -1.000 bad 2083 267 . DPG C14 9 C4H2b 0.770 1.880 25.279 -1.000 1.880 -1.000 bad 2084 267 . DPG C15 9 C4H2b 0.770 1.880 6.145 57.085 1.880 30.365 possible 2085 267 . DPG C16 9 C4H2b 0.770 1.880 13.602 -1.000 1.880 -1.000 bad 2086 267 . DPG C17 9 C4H2b 0.770 1.880 8.893 -1.000 1.880 -1.000 bad 2087 267 . DPG C18 9 C4H2b 0.770 1.880 3.420 15.711 1.880 8.357 possible 2088 267 . DPG C19 9 C4H2b 0.770 1.880 49.777 -1.000 1.880 -1.000 bad 2089 267 . DPG C20 9 C4H2b 0.770 1.880 15.044 -1.000 1.880 -1.000 bad 2090 267 . DPG C21 9 C4H2b 0.770 1.880 4.812 36.481 1.880 19.405 possible 2091 267 . DPG C22 9 C4H2b 0.770 1.880 4.753 34.357 1.880 18.275 possible 2092 267 . DPG C23 9 C4H2b 0.770 1.880 4.736 22.204 1.880 11.811 possible 2093 267 . DPG C24 9 C4H2b 0.770 1.880 3.105 31.780 1.880 16.904 possible 2094 267 . DPG C25 9 C4H2b 0.770 1.880 4.179 31.645 1.880 16.832 possible 2095 267 . DPG C26 9 C4H2b 0.770 1.880 4.746 35.497 1.880 18.881 possible 2096 267 . DPG C27 9 C4H2b 0.770 1.880 3.286 23.812 1.880 12.666 possible 2097 267 . DPG C28 9 C4H2b 0.770 1.880 2.936 13.751 1.880 7.314 [OK] 2098 267 . DPG C29 9 C4H2b 0.770 1.880 3.595 31.704 1.880 16.864 possible 2099 267 . DPG C30 9 C4H2b 0.770 1.880 5.384 52.702 1.880 28.033 possible 2100 267 . DPG C41 9 C4H2b 0.770 1.880 7.386 41.950 1.880 22.314 possible 2101 267 . DPG C42 9 C4H2b 0.770 1.880 4.109 23.260 1.880 12.373 possible 2102 267 . DPG C43 9 C4H2b 0.770 1.880 3.808 14.791 1.880 7.868 possible 2103 267 . DPG C44 9 C4H2b 0.770 1.880 3.648 49.765 1.880 26.471 possible 2104 267 . DPG C45 9 C4H2b 0.770 1.880 7.845 52.504 1.880 27.928 possible 2105 267 . DPG C46 9 C4H2b 0.770 1.880 3.575 29.117 1.880 15.488 possible 2106 267 . DPG C47 9 C4H2b 0.770 1.880 10.311 -1.000 1.880 -1.000 bad 2107 267 . DPG C48 9 C4H2b 0.770 1.880 10.392 -1.000 1.880 -1.000 bad 2108 267 . DPG C49 9 C4H2b 0.770 1.880 4.946 47.706 1.880 25.375 possible 2109 267 . DPG C50 9 C4H2b 0.770 1.880 3.055 25.547 1.880 13.589 possible 2110 267 . DPG C51 9 C4H2b 0.770 1.880 4.605 26.211 1.880 13.942 possible 2111 267 . DPG C52 9 C4H2b 0.770 1.880 3.391 25.504 1.880 13.566 possible 2112 267 . DPG C53 9 C4H2b 0.770 1.880 3.577 18.019 1.880 9.585 possible 2113 267 . DPG C54 9 C4H2b 0.770 1.880 3.939 36.497 1.880 19.413 possible 2114 267 . DPG C55 9 C4H2b 0.770 1.880 3.619 24.403 1.880 12.980 possible 2115 267 . DPG C56 9 C4H2b 0.770 1.880 3.406 25.880 1.880 13.766 possible 2116 267 . DPG C57 9 C4H2b 0.770 1.880 3.365 26.804 1.880 14.257 possible 2117 267 . DPG C58 9 C4H2b 0.770 1.880 2.980 11.929 1.880 6.345 [OK] 2118 267 . DPG C59 9 C4H2b 0.770 1.880 3.468 40.604 1.880 21.598 possible 2119 267 . DPG C60 9 C4H2b 0.770 1.880 3.514 45.055 1.880 23.965 possible 2120 267 . DPG O1 17 O2H1u 0.660 1.460 5.054 27.291 1.460 18.692 possible 2121 267 . DPG O2 17 O2H1u 0.660 1.460 2.660 14.151 1.460 9.692 [OK] 2122 267 . DPG O3 17 O2H1u 0.660 1.460 7.805 -1.000 1.460 -1.000 bad 2123 267 . DPG O4 17 O2H1u 0.660 1.460 41.846 -1.000 1.460 -1.000 bad 2124 267 . DPG O5 17 O2H1u 0.660 1.460 28.531 -1.000 1.460 -1.000 bad 2125 267 . DPG O6 17 O2H1u 0.660 1.460 3.911 17.125 1.460 11.730 possible 2126 267 . DPG O7 17 O2H1u 0.660 1.460 6.606 -1.000 1.460 -1.000 bad 2127 267 . DPG O8 17 O2H1u 0.660 1.460 3.198 19.565 1.460 13.401 possible 2128 267 . DPG O9 17 O2H1u 0.660 1.460 35.911 -1.000 1.460 -1.000 bad 2129 267 . DPG O10 17 O2H1u 0.660 1.460 19.973 -1.000 1.460 -1.000 bad 2130 267 . DPG O11 17 O2H1u 0.660 1.460 3.797 42.842 1.460 29.344 possible 2131 267 . DPG P1 25 DEFAULT 0.770 1.800 2.806 8.312 1.800 4.618 [OK] 2132 267 . DPG P2 25 DEFAULT 0.770 1.800 2.617 7.911 1.800 4.395 [OK] 2133 268 . DPG C1 9 C4H2b 0.770 1.880 15.215 -1.000 1.880 -1.000 bad 2134 268 . DPG C2 9 C4H2b 0.770 1.880 3.172 14.716 1.880 7.828 possible 2135 268 . DPG C3 9 C4H2b 0.770 1.880 26.110 -1.000 1.880 -1.000 bad 2136 268 . DPG C4 9 C4H2b 0.770 1.880 27.479 -1.000 1.880 -1.000 bad 2137 268 . DPG C5 9 C4H2b 0.770 1.880 5.855 43.865 1.880 23.332 possible 2138 268 . DPG C6 9 C4H2b 0.770 1.880 4.098 19.901 1.880 10.586 possible 2139 268 . DPG C11 9 C4H2b 0.770 1.880 4.999 34.312 1.880 18.251 possible 2140 268 . DPG C12 9 C4H2b 0.770 1.880 18.170 -1.000 1.880 -1.000 bad 2141 268 . DPG C13 9 C4H2b 0.770 1.880 6.923 32.856 1.880 17.477 possible 2142 268 . DPG C14 9 C4H2b 0.770 1.880 57.898 -1.000 1.880 -1.000 bad 2143 268 . DPG C15 9 C4H2b 0.770 1.880 5.429 34.473 1.880 18.337 possible 2144 268 . DPG C16 9 C4H2b 0.770 1.880 14.270 -1.000 1.880 -1.000 bad 2145 268 . DPG C17 9 C4H2b 0.770 1.880 5.172 -1.000 1.880 -1.000 bad 2146 268 . DPG C18 9 C4H2b 0.770 1.880 5.384 27.600 1.880 14.681 possible 2147 268 . DPG C19 9 C4H2b 0.770 1.880 54.740 -1.000 1.880 -1.000 bad 2148 268 . DPG C20 9 C4H2b 0.770 1.880 8.502 -1.000 1.880 -1.000 bad 2149 268 . DPG C21 9 C4H2b 0.770 1.880 12.331 -1.000 1.880 -1.000 bad 2150 268 . DPG C22 9 C4H2b 0.770 1.880 6.209 47.354 1.880 25.188 possible 2151 268 . DPG C23 9 C4H2b 0.770 1.880 10.939 -1.000 1.880 -1.000 bad 2152 268 . DPG C24 9 C4H2b 0.770 1.880 4.592 42.978 1.880 22.861 possible 2153 268 . DPG C25 9 C4H2b 0.770 1.880 7.715 53.991 1.880 28.719 possible 2154 268 . DPG C26 9 C4H2b 0.770 1.880 12.117 -1.000 1.880 -1.000 bad 2155 268 . DPG C27 9 C4H2b 0.770 1.880 9.906 -1.000 1.880 -1.000 bad 2156 268 . DPG C28 9 C4H2b 0.770 1.880 4.476 16.825 1.880 8.950 possible 2157 268 . DPG C29 9 C4H2b 0.770 1.880 63.271 -1.000 1.880 -1.000 bad 2158 268 . DPG C30 9 C4H2b 0.770 1.880 41.713 -1.000 1.880 -1.000 bad 2159 268 . DPG C41 9 C4H2b 0.770 1.880 14.703 -1.000 1.880 -1.000 bad 2160 268 . DPG C42 9 C4H2b 0.770 1.880 6.417 -1.000 1.880 -1.000 bad 2161 268 . DPG C43 9 C4H2b 0.770 1.880 11.902 -1.000 1.880 -1.000 bad 2162 268 . DPG C44 9 C4H2b 0.770 1.880 31.182 -1.000 1.880 -1.000 bad 2163 268 . DPG C45 9 C4H2b 0.770 1.880 6.259 36.537 1.880 19.434 possible 2164 268 . DPG C46 9 C4H2b 0.770 1.880 22.610 -1.000 1.880 -1.000 bad 2165 268 . DPG C47 9 C4H2b 0.770 1.880 3.664 29.783 1.880 15.842 possible 2166 268 . DPG C48 9 C4H2b 0.770 1.880 5.654 26.611 1.880 14.155 possible 2167 268 . DPG C49 9 C4H2b 0.770 1.880 3.413 57.628 1.880 30.653 possible 2168 268 . DPG C50 9 C4H2b 0.770 1.880 6.566 43.686 1.880 23.237 possible 2169 268 . DPG C51 9 C4H2b 0.770 1.880 17.783 -1.000 1.880 -1.000 bad 2170 268 . DPG C52 9 C4H2b 0.770 1.880 7.266 53.977 1.880 28.711 possible 2171 268 . DPG C53 9 C4H2b 0.770 1.880 5.814 25.161 1.880 13.384 possible 2172 268 . DPG C54 9 C4H2b 0.770 1.880 7.710 84.953 1.880 45.188 possible 2173 268 . DPG C55 9 C4H2b 0.770 1.880 3.505 35.534 1.880 18.901 possible 2174 268 . DPG C56 9 C4H2b 0.770 1.880 4.777 28.941 1.880 15.394 possible 2175 268 . DPG C57 9 C4H2b 0.770 1.880 3.619 28.711 1.880 15.272 possible 2176 268 . DPG C58 9 C4H2b 0.770 1.880 2.954 13.970 1.880 7.431 [OK] 2177 268 . DPG C59 9 C4H2b 0.770 1.880 3.468 42.494 1.880 22.603 possible 2178 268 . DPG C60 9 C4H2b 0.770 1.880 4.747 68.926 1.880 36.663 possible 2179 268 . DPG O1 17 O2H1u 0.660 1.460 3.068 17.759 1.460 12.164 possible 2180 268 . DPG O2 17 O2H1u 0.660 1.460 3.074 19.210 1.460 13.158 possible 2181 268 . DPG O3 17 O2H1u 0.660 1.460 4.312 -1.000 1.460 -1.000 bad 2182 268 . DPG O4 17 O2H1u 0.660 1.460 3.138 27.457 1.460 18.806 possible 2183 268 . DPG O5 17 O2H1u 0.660 1.460 5.606 26.211 1.460 17.953 possible 2184 268 . DPG O6 17 O2H1u 0.660 1.460 4.254 -1.000 1.460 -1.000 bad 2185 268 . DPG O7 17 O2H1u 0.660 1.460 38.694 -1.000 1.460 -1.000 bad 2186 268 . DPG O8 17 O2H1u 0.660 1.460 6.385 39.484 1.460 27.044 possible 2187 268 . DPG O9 17 O2H1u 0.660 1.460 5.146 56.744 1.460 38.866 possible 2188 268 . DPG O10 17 O2H1u 0.660 1.460 47.865 -1.000 1.460 -1.000 bad 2189 268 . DPG O11 17 O2H1u 0.660 1.460 16.486 -1.000 1.460 -1.000 bad 2190 268 . DPG P1 25 DEFAULT 0.770 1.800 2.499 8.055 1.800 4.475 [OK] 2191 268 . DPG P2 25 DEFAULT 0.770 1.800 2.616 7.930 1.800 4.406 [OK] 2192 269 . DPG C1 9 C4H2b 0.770 1.880 17.439 -1.000 1.880 -1.000 bad 2193 269 . DPG C2 9 C4H2b 0.770 1.880 13.292 -1.000 1.880 -1.000 bad 2194 269 . DPG C3 9 C4H2b 0.770 1.880 3.991 26.587 1.880 14.142 possible 2195 269 . DPG C4 9 C4H2b 0.770 1.880 31.590 -1.000 1.880 -1.000 bad 2196 269 . DPG C5 9 C4H2b 0.770 1.880 16.152 -1.000 1.880 -1.000 bad 2197 269 . DPG C6 9 C4H2b 0.770 1.880 3.416 27.789 1.880 14.781 possible 2198 269 . DPG C11 9 C4H2b 0.770 1.880 6.158 -1.000 1.880 -1.000 bad 2199 269 . DPG C12 9 C4H2b 0.770 1.880 14.764 -1.000 1.880 -1.000 bad 2200 269 . DPG C13 9 C4H2b 0.770 1.880 3.901 15.065 1.880 8.014 possible 2201 269 . DPG C14 9 C4H2b 0.770 1.880 3.914 47.957 1.880 25.509 possible 2202 269 . DPG C15 9 C4H2b 0.770 1.880 8.333 -1.000 1.880 -1.000 bad 2203 269 . DPG C16 9 C4H2b 0.770 1.880 4.483 25.258 1.880 13.435 possible 2204 269 . DPG C17 9 C4H2b 0.770 1.880 4.563 30.986 1.880 16.482 possible 2205 269 . DPG C18 9 C4H2b 0.770 1.880 3.618 20.093 1.880 10.688 possible 2206 269 . DPG C19 9 C4H2b 0.770 1.880 3.390 36.547 1.880 19.440 possible 2207 269 . DPG C20 9 C4H2b 0.770 1.880 15.636 -1.000 1.880 -1.000 bad 2208 269 . DPG C21 9 C4H2b 0.770 1.880 3.689 27.026 1.880 14.376 possible 2209 269 . DPG C22 9 C4H2b 0.770 1.880 18.451 -1.000 1.880 -1.000 bad 2210 269 . DPG C23 9 C4H2b 0.770 1.880 3.235 17.069 1.880 9.079 possible 2211 269 . DPG C24 9 C4H2b 0.770 1.880 6.941 49.450 1.880 26.303 possible 2212 269 . DPG C25 9 C4H2b 0.770 1.880 16.263 -1.000 1.880 -1.000 bad 2213 269 . DPG C26 9 C4H2b 0.770 1.880 4.147 33.153 1.880 17.634 possible 2214 269 . DPG C27 9 C4H2b 0.770 1.880 21.358 -1.000 1.880 -1.000 bad 2215 269 . DPG C28 9 C4H2b 0.770 1.880 3.473 18.005 1.880 9.577 possible 2216 269 . DPG C29 9 C4H2b 0.770 1.880 54.035 -1.000 1.880 -1.000 bad 2217 269 . DPG C30 9 C4H2b 0.770 1.880 39.982 -1.000 1.880 -1.000 bad 2218 269 . DPG C41 9 C4H2b 0.770 1.880 7.935 32.145 1.880 17.098 possible 2219 269 . DPG C42 9 C4H2b 0.770 1.880 19.775 -1.000 1.880 -1.000 bad 2220 269 . DPG C43 9 C4H2b 0.770 1.880 4.645 24.624 1.880 13.098 possible 2221 269 . DPG C44 9 C4H2b 0.770 1.880 42.842 -1.000 1.880 -1.000 bad 2222 269 . DPG C45 9 C4H2b 0.770 1.880 20.209 -1.000 1.880 -1.000 bad 2223 269 . DPG C46 9 C4H2b 0.770 1.880 23.102 -1.000 1.880 -1.000 bad 2224 269 . DPG C47 9 C4H2b 0.770 1.880 23.736 -1.000 1.880 -1.000 bad 2225 269 . DPG C48 9 C4H2b 0.770 1.880 11.355 -1.000 1.880 -1.000 bad 2226 269 . DPG C49 9 C4H2b 0.770 1.880 7.064 105.134 1.880 55.922 possible 2227 269 . DPG C50 9 C4H2b 0.770 1.880 24.679 -1.000 1.880 -1.000 bad 2228 269 . DPG C51 9 C4H2b 0.770 1.880 20.032 -1.000 1.880 -1.000 bad 2229 269 . DPG C52 9 C4H2b 0.770 1.880 24.712 -1.000 1.880 -1.000 bad 2230 269 . DPG C53 9 C4H2b 0.770 1.880 4.068 21.681 1.880 11.532 possible 2231 269 . DPG C54 9 C4H2b 0.770 1.880 27.990 -1.000 1.880 -1.000 bad 2232 269 . DPG C55 9 C4H2b 0.770 1.880 24.812 -1.000 1.880 -1.000 bad 2233 269 . DPG C56 9 C4H2b 0.770 1.880 10.428 -1.000 1.880 -1.000 bad 2234 269 . DPG C57 9 C4H2b 0.770 1.880 28.009 -1.000 1.880 -1.000 bad 2235 269 . DPG C58 9 C4H2b 0.770 1.880 3.507 13.864 1.880 7.375 possible 2236 269 . DPG C59 9 C4H2b 0.770 1.880 17.373 -1.000 1.880 -1.000 bad 2237 269 . DPG C60 9 C4H2b 0.770 1.880 31.373 -1.000 1.880 -1.000 bad 2238 269 . DPG O1 17 O2H1u 0.660 1.460 4.388 29.472 1.460 20.186 possible 2239 269 . DPG O2 17 O2H1u 0.660 1.460 11.926 -1.000 1.460 -1.000 bad 2240 269 . DPG O3 17 O2H1u 0.660 1.460 9.270 -1.000 1.460 -1.000 bad 2241 269 . DPG O4 17 O2H1u 0.660 1.460 33.569 -1.000 1.460 -1.000 bad 2242 269 . DPG O5 17 O2H1u 0.660 1.460 21.386 -1.000 1.460 -1.000 bad 2243 269 . DPG O6 17 O2H1u 0.660 1.460 5.023 15.827 1.460 10.840 possible 2244 269 . DPG O7 17 O2H1u 0.660 1.460 25.983 -1.000 1.460 -1.000 bad 2245 269 . DPG O8 17 O2H1u 0.660 1.460 11.038 -1.000 1.460 -1.000 bad 2246 269 . DPG O9 17 O2H1u 0.660 1.460 45.281 -1.000 1.460 -1.000 bad 2247 269 . DPG O10 17 O2H1u 0.660 1.460 6.246 75.333 1.460 51.598 possible 2248 269 . DPG O11 17 O2H1u 0.660 1.460 42.707 -1.000 1.460 -1.000 bad 2249 269 . DPG P1 25 DEFAULT 0.770 1.800 2.797 8.325 1.800 4.625 [OK] 2250 269 . DPG P2 25 DEFAULT 0.770 1.800 2.610 7.947 1.800 4.415 [OK] 2251 270 . DPG C1 9 C4H2b 0.770 1.880 23.090 -1.000 1.880 -1.000 bad 2252 270 . DPG C2 9 C4H2b 0.770 1.880 5.647 18.472 1.880 9.826 possible 2253 270 . DPG C3 9 C4H2b 0.770 1.880 25.440 -1.000 1.880 -1.000 bad 2254 270 . DPG C4 9 C4H2b 0.770 1.880 34.626 -1.000 1.880 -1.000 bad 2255 270 . DPG C5 9 C4H2b 0.770 1.880 9.305 -1.000 1.880 -1.000 bad 2256 270 . DPG C6 9 C4H2b 0.770 1.880 37.100 -1.000 1.880 -1.000 bad 2257 270 . DPG C11 9 C4H2b 0.770 1.880 33.837 -1.000 1.880 -1.000 bad 2258 270 . DPG C12 9 C4H2b 0.770 1.880 8.612 -1.000 1.880 -1.000 bad 2259 270 . DPG C13 9 C4H2b 0.770 1.880 6.643 -1.000 1.880 -1.000 bad 2260 270 . DPG C14 9 C4H2b 0.770 1.880 59.751 -1.000 1.880 -1.000 bad 2261 270 . DPG C15 9 C4H2b 0.770 1.880 11.629 -1.000 1.880 -1.000 bad 2262 270 . DPG C16 9 C4H2b 0.770 1.880 24.936 -1.000 1.880 -1.000 bad 2263 270 . DPG C17 9 C4H2b 0.770 1.880 20.548 -1.000 1.880 -1.000 bad 2264 270 . DPG C18 9 C4H2b 0.770 1.880 5.410 22.600 1.880 12.021 possible 2265 270 . DPG C19 9 C4H2b 0.770 1.880 19.851 -1.000 1.880 -1.000 bad 2266 270 . DPG C20 9 C4H2b 0.770 1.880 23.389 -1.000 1.880 -1.000 bad 2267 270 . DPG C21 9 C4H2b 0.770 1.880 18.532 -1.000 1.880 -1.000 bad 2268 270 . DPG C22 9 C4H2b 0.770 1.880 11.751 -1.000 1.880 -1.000 bad 2269 270 . DPG C23 9 C4H2b 0.770 1.880 3.800 20.415 1.880 10.859 possible 2270 270 . DPG C24 9 C4H2b 0.770 1.880 4.005 38.967 1.880 20.727 possible 2271 270 . DPG C25 9 C4H2b 0.770 1.880 18.307 -1.000 1.880 -1.000 bad 2272 270 . DPG C26 9 C4H2b 0.770 1.880 17.052 -1.000 1.880 -1.000 bad 2273 270 . DPG C27 9 C4H2b 0.770 1.880 18.334 -1.000 1.880 -1.000 bad 2274 270 . DPG C28 9 C4H2b 0.770 1.880 10.817 -1.000 1.880 -1.000 bad 2275 270 . DPG C29 9 C4H2b 0.770 1.880 44.226 -1.000 1.880 -1.000 bad 2276 270 . DPG C30 9 C4H2b 0.770 1.880 4.553 57.668 1.880 30.674 possible 2277 270 . DPG C41 9 C4H2b 0.770 1.880 19.232 -1.000 1.880 -1.000 bad 2278 270 . DPG C42 9 C4H2b 0.770 1.880 7.752 -1.000 1.880 -1.000 bad 2279 270 . DPG C43 9 C4H2b 0.770 1.880 9.525 -1.000 1.880 -1.000 bad 2280 270 . DPG C44 9 C4H2b 0.770 1.880 60.758 -1.000 1.880 -1.000 bad 2281 270 . DPG C45 9 C4H2b 0.770 1.880 15.200 -1.000 1.880 -1.000 bad 2282 270 . DPG C46 9 C4H2b 0.770 1.880 19.664 -1.000 1.880 -1.000 bad 2283 270 . DPG C47 9 C4H2b 0.770 1.880 7.064 50.798 1.880 27.020 possible 2284 270 . DPG C48 9 C4H2b 0.770 1.880 8.650 -1.000 1.880 -1.000 bad 2285 270 . DPG C49 9 C4H2b 0.770 1.880 6.386 70.007 1.880 37.238 possible 2286 270 . DPG C50 9 C4H2b 0.770 1.880 6.071 41.632 1.880 22.144 possible 2287 270 . DPG C51 9 C4H2b 0.770 1.880 14.599 -1.000 1.880 -1.000 bad 2288 270 . DPG C52 9 C4H2b 0.770 1.880 3.664 31.481 1.880 16.745 possible 2289 270 . DPG C53 9 C4H2b 0.770 1.880 7.166 -1.000 1.880 -1.000 bad 2290 270 . DPG C54 9 C4H2b 0.770 1.880 50.858 -1.000 1.880 -1.000 bad 2291 270 . DPG C55 9 C4H2b 0.770 1.880 5.429 33.799 1.880 17.978 possible 2292 270 . DPG C56 9 C4H2b 0.770 1.880 6.464 32.238 1.880 17.148 possible 2293 270 . DPG C57 9 C4H2b 0.770 1.880 6.693 53.929 1.880 28.686 possible 2294 270 . DPG C58 9 C4H2b 0.770 1.880 3.365 14.152 1.880 7.528 possible 2295 270 . DPG C59 9 C4H2b 0.770 1.880 24.454 -1.000 1.880 -1.000 bad 2296 270 . DPG C60 9 C4H2b 0.770 1.880 47.718 -1.000 1.880 -1.000 bad 2297 270 . DPG O1 17 O2H1u 0.660 1.460 11.888 -1.000 1.460 -1.000 bad 2298 270 . DPG O2 17 O2H1u 0.660 1.460 4.653 -1.000 1.460 -1.000 bad 2299 270 . DPG O3 17 O2H1u 0.660 1.460 7.470 56.788 1.460 38.896 possible 2300 270 . DPG O4 17 O2H1u 0.660 1.460 33.160 -1.000 1.460 -1.000 bad 2301 270 . DPG O5 17 O2H1u 0.660 1.460 30.850 -1.000 1.460 -1.000 bad 2302 270 . DPG O6 17 O2H1u 0.660 1.460 12.076 -1.000 1.460 -1.000 bad 2303 270 . DPG O7 17 O2H1u 0.660 1.460 16.805 -1.000 1.460 -1.000 bad 2304 270 . DPG O8 17 O2H1u 0.660 1.460 14.648 -1.000 1.460 -1.000 bad 2305 270 . DPG O9 17 O2H1u 0.660 1.460 39.410 -1.000 1.460 -1.000 bad 2306 270 . DPG O10 17 O2H1u 0.660 1.460 48.449 -1.000 1.460 -1.000 bad 2307 270 . DPG O11 17 O2H1u 0.660 1.460 30.799 -1.000 1.460 -1.000 bad 2308 270 . DPG P1 25 DEFAULT 0.770 1.800 2.509 8.277 1.800 4.598 [OK] 2309 270 . DPG P2 25 DEFAULT 0.770 1.800 2.623 7.896 1.800 4.387 [OK] 2310 216 . RET C1 9 C4H2b 0.770 1.880 2.396 6.100 1.880 3.245 [OK] 2311 216 . RET C2 9 C4H2b 0.770 1.880 3.171 23.189 1.880 12.335 possible 2312 216 . RET C3 9 C4H2b 0.770 1.880 3.364 25.760 1.880 13.702 possible 2313 216 . RET C4 9 C4H2b 0.770 1.880 3.102 24.297 1.880 12.924 possible 2314 216 . RET C5 9 C4H2b 0.770 1.880 3.171 13.040 1.880 6.936 possible 2315 216 . RET C6 9 C4H2b 0.770 1.880 3.194 11.830 1.880 6.293 possible 2316 216 . RET C7 9 C4H2b 0.770 1.880 3.048 20.464 1.880 10.885 possible 2317 216 . RET C8 9 C4H2b 0.770 1.880 2.973 17.225 1.880 9.162 [OK] 2318 216 . RET C9 9 C4H2b 0.770 1.880 2.663 10.588 1.880 5.632 [OK] 2319 216 . RET C10 9 C4H2b 0.770 1.880 2.952 20.722 1.880 11.022 [OK] 2320 216 . RET C11 9 C4H2b 0.770 1.880 2.982 19.946 1.880 10.610 [OK] 2321 216 . RET C12 9 C4H2b 0.770 1.880 2.717 17.766 1.880 9.450 [OK] 2322 216 . RET C13 9 C4H2b 0.770 1.880 2.770 11.150 1.880 5.931 [OK] 2323 216 . RET C14 9 C4H2b 0.770 1.880 2.973 18.843 1.880 10.023 [OK] 2324 216 . RET C15 9 C4H2b 0.770 1.880 3.013 19.903 1.880 10.587 possible 2325 216 . RET C16 9 C4H2b 0.770 1.880 3.189 35.790 1.880 19.037 possible 2326 216 . RET C17 9 C4H2b 0.770 1.880 2.968 30.945 1.880 16.460 [OK] 2327 216 . RET C18 9 C4H2b 0.770 1.880 3.150 34.497 1.880 18.349 possible 2328 216 . RET C19 9 C4H2b 0.770 1.880 2.985 35.458 1.880 18.860 [OK] 2329 216 . RET C20 9 C4H2b 0.770 1.880 3.212 37.680 1.880 20.043 possible