number_ resnum chain resname atname typenum typenam covrad vdwrad surface volume refvol packeff goodbad 1 23 A ALA N 12 N3H1s 0.700 1.640 42.004 -1.000 14.046 -1.000 bad 2 23 A ALA CA 4 C4H1b 0.770 1.880 18.685 -1.000 14.063 -1.000 bad 3 23 A ALA C 1 C3H0s 0.770 1.610 3.487 11.916 8.900 1.339 possible 4 23 A ALA O 16 O1H0u 0.660 1.420 26.994 -1.000 16.188 -1.000 bad 5 23 A ALA CB 10 C4H3u 0.770 1.880 38.330 -1.000 36.782 -1.000 bad 6 24 A LEU N 12 N3H1s 0.700 1.640 3.543 17.538 13.655 1.284 possible 7 24 A LEU CA 3 C4H1s 0.770 1.880 4.097 17.199 13.122 1.311 possible 8 24 A LEU C 1 C3H0s 0.770 1.610 2.269 8.111 8.825 0.919 [OK] 9 24 A LEU O 16 O1H0u 0.660 1.420 2.452 12.340 16.208 0.761 [OK] 10 24 A LEU CB 8 C4H2s 0.770 1.880 3.621 28.534 22.951 1.243 possible 11 24 A LEU CG 4 C4H1b 0.770 1.880 2.941 14.323 14.764 0.970 [OK] 12 24 A LEU CD1 10 C4H3u 0.770 1.880 40.639 -1.000 37.425 -1.000 bad 13 24 A LEU CD2 10 C4H3u 0.770 1.880 3.722 40.481 37.143 1.090 possible 14 25 A HIS N 12 N3H1s 0.700 1.640 3.515 17.198 13.715 1.254 possible 15 25 A HIS CA 3 C4H1s 0.770 1.880 2.386 11.437 13.467 0.849 [OK] 16 25 A HIS C 1 C3H0s 0.770 1.610 2.262 7.762 8.882 0.874 [OK] 17 25 A HIS O 16 O1H0u 0.660 1.420 2.578 17.126 16.082 1.065 [OK] 18 25 A HIS CB 8 C4H2s 0.770 1.880 3.481 24.415 23.653 1.032 possible 19 25 A HIS CG 2 C3H0b 0.770 1.610 3.082 9.942 9.952 0.999 possible 20 25 A HIS ND1 13 N3H1b 0.700 1.640 2.415 13.827 15.506 0.892 [OK] 21 25 A HIS CD2 5 C3H1s 0.770 1.760 5.304 42.996 21.085 2.039 possible 22 25 A HIS CE1 5 C3H1s 0.770 1.760 3.377 20.120 20.636 0.975 possible 23 25 A HIS NE2 13 N3H1b 0.700 1.640 7.154 66.385 15.337 4.328 possible 24 26 A TRP N 12 N3H1s 0.700 1.640 2.504 12.252 13.791 0.888 [OK] 25 26 A TRP CA 3 C4H1s 0.770 1.880 3.058 12.792 13.377 0.956 possible 26 26 A TRP C 1 C3H0s 0.770 1.610 3.419 10.630 8.724 1.218 possible 27 26 A TRP O 16 O1H0u 0.660 1.420 16.423 -1.000 15.951 -1.000 bad 28 26 A TRP CB 8 C4H2s 0.770 1.880 4.686 33.275 24.004 1.386 possible 29 26 A TRP CG 2 C3H0b 0.770 1.610 3.007 11.499 9.965 1.154 possible 30 26 A TRP CD1 5 C3H1s 0.770 1.760 31.545 -1.000 20.874 -1.000 bad 31 26 A TRP CD2 2 C3H0b 0.770 1.610 4.251 13.150 10.097 1.302 possible 32 26 A TRP NE1 13 N3H1b 0.700 1.640 25.448 -1.000 16.969 -1.000 bad 33 26 A TRP CE2 2 C3H0b 0.770 1.610 5.309 16.910 9.889 1.710 possible 34 26 A TRP CE3 6 C3H1b 0.770 1.760 4.435 21.369 20.448 1.045 possible 35 26 A TRP CZ2 6 C3H1b 0.770 1.760 22.450 -1.000 21.012 -1.000 bad 36 26 A TRP CZ3 6 C3H1b 0.770 1.760 4.587 22.169 21.516 1.030 possible 37 26 A TRP CH2 6 C3H1b 0.770 1.760 5.617 39.712 21.339 1.861 possible 38 27 A ARG N 12 N3H1s 0.700 1.640 3.031 13.825 13.650 1.013 possible 39 27 A ARG CA 3 C4H1s 0.770 1.880 5.624 20.715 13.422 1.543 possible 40 27 A ARG C 1 C3H0s 0.770 1.610 4.114 9.558 8.838 1.081 possible 41 27 A ARG O 16 O1H0u 0.660 1.420 6.806 40.683 16.084 2.529 possible 42 27 A ARG CB 8 C4H2s 0.770 1.880 42.751 -1.000 23.088 -1.000 bad 43 28 A ALA N 12 N3H1s 0.700 1.640 4.357 14.199 14.046 1.011 possible 44 28 A ALA CA 4 C4H1b 0.770 1.880 7.839 42.286 14.063 3.007 possible 45 28 A ALA C 1 C3H0s 0.770 1.610 2.446 9.084 8.900 1.021 [OK] 46 28 A ALA O 16 O1H0u 0.660 1.420 5.009 31.033 16.188 1.917 possible 47 28 A ALA CB 10 C4H3u 0.770 1.880 7.795 75.297 36.782 2.047 possible 48 29 A ALA N 12 N3H1s 0.700 1.640 2.689 16.011 14.046 1.140 [OK] 49 29 A ALA CA 4 C4H1b 0.770 1.880 3.387 15.672 14.063 1.114 possible 50 29 A ALA C 1 C3H0s 0.770 1.610 3.009 9.393 8.900 1.055 possible 51 29 A ALA O 16 O1H0u 0.660 1.420 2.917 15.151 16.188 0.936 [OK] 52 29 A ALA CB 10 C4H3u 0.770 1.880 4.757 51.667 36.782 1.405 possible 53 30 A GLY N 12 N3H1s 0.700 1.640 4.761 26.013 14.854 1.751 possible 54 30 A GLY CA 8 C4H2s 0.770 1.880 35.704 -1.000 23.688 -1.000 bad 55 30 A GLY C 2 C3H0b 0.770 1.610 6.084 16.479 9.840 1.675 possible 56 30 A GLY O 16 O1H0u 0.660 1.420 14.367 -1.000 16.391 -1.000 bad 57 31 A ALA N 12 N3H1s 0.700 1.640 4.484 15.336 14.046 1.092 possible 58 31 A ALA CA 4 C4H1b 0.770 1.880 4.952 17.838 14.063 1.268 possible 59 31 A ALA C 1 C3H0s 0.770 1.610 3.063 9.435 8.900 1.060 possible 60 31 A ALA O 16 O1H0u 0.660 1.420 4.660 21.764 16.188 1.344 possible 61 31 A ALA CB 10 C4H3u 0.770 1.880 48.508 -1.000 36.782 -1.000 bad 62 32 A ALA N 12 N3H1s 0.700 1.640 3.709 15.519 14.046 1.105 possible 63 32 A ALA CA 4 C4H1b 0.770 1.880 3.474 12.004 14.063 0.854 possible 64 32 A ALA C 1 C3H0s 0.770 1.610 2.602 8.219 8.900 0.923 [OK] 65 32 A ALA O 16 O1H0u 0.660 1.420 3.377 14.648 16.188 0.905 possible 66 32 A ALA CB 10 C4H3u 0.770 1.880 4.432 55.797 36.782 1.517 possible 67 33 A THR N 12 N3H1s 0.700 1.640 3.006 14.886 13.832 1.076 possible 68 33 A THR CA 3 C4H1s 0.770 1.880 3.018 16.646 13.099 1.271 possible 69 33 A THR C 1 C3H0s 0.770 1.610 3.056 7.894 8.738 0.903 possible 70 33 A THR O 16 O1H0u 0.660 1.420 3.287 18.722 16.020 1.169 possible 71 33 A THR CB 4 C4H1b 0.770 1.880 7.048 43.431 14.829 2.929 possible 72 33 A THR OG1 17 O2H1u 0.660 1.460 15.459 -1.000 18.123 -1.000 bad 73 33 A THR CG2 10 C4H3u 0.770 1.880 20.547 -1.000 36.542 -1.000 bad 74 34 A VAL N 12 N3H1s 0.700 1.640 3.077 11.891 13.676 0.869 possible 75 34 A VAL CA 3 C4H1s 0.770 1.880 4.430 19.408 13.123 1.479 possible 76 34 A VAL C 1 C3H0s 0.770 1.610 2.899 9.670 8.563 1.129 [OK] 77 34 A VAL O 16 O1H0u 0.660 1.420 4.958 23.285 16.181 1.439 possible 78 34 A VAL CB 4 C4H1b 0.770 1.880 5.576 23.105 14.598 1.583 possible 79 34 A VAL CG1 10 C4H3u 0.770 1.880 48.084 -1.000 36.584 -1.000 bad 80 34 A VAL CG2 10 C4H3u 0.770 1.880 31.318 -1.000 36.332 -1.000 bad 81 35 A LEU N 12 N3H1s 0.700 1.640 2.564 10.397 13.655 0.761 [OK] 82 35 A LEU CA 3 C4H1s 0.770 1.880 3.457 15.361 13.122 1.171 possible 83 35 A LEU C 1 C3H0s 0.770 1.610 3.127 9.421 8.825 1.068 possible 84 35 A LEU O 16 O1H0u 0.660 1.420 4.142 19.532 16.208 1.205 possible 85 35 A LEU CB 8 C4H2s 0.770 1.880 6.292 47.172 22.951 2.055 possible 86 35 A LEU CG 4 C4H1b 0.770 1.880 3.610 14.930 14.764 1.011 possible 87 35 A LEU CD1 10 C4H3u 0.770 1.880 39.689 -1.000 37.425 -1.000 bad 88 35 A LEU CD2 10 C4H3u 0.770 1.880 57.774 -1.000 37.143 -1.000 bad 89 36 A LEU N 12 N3H1s 0.700 1.640 3.880 16.530 13.655 1.211 possible 90 36 A LEU CA 3 C4H1s 0.770 1.880 3.863 15.914 13.122 1.213 possible 91 36 A LEU C 1 C3H0s 0.770 1.610 2.421 7.543 8.825 0.855 [OK] 92 36 A LEU O 16 O1H0u 0.660 1.420 2.420 12.707 16.208 0.784 [OK] 93 36 A LEU CB 8 C4H2s 0.770 1.880 3.308 22.468 22.951 0.979 possible 94 36 A LEU CG 4 C4H1b 0.770 1.880 2.910 13.952 14.764 0.945 [OK] 95 36 A LEU CD1 10 C4H3u 0.770 1.880 3.026 34.065 37.425 0.910 possible 96 36 A LEU CD2 10 C4H3u 0.770 1.880 5.370 78.036 37.143 2.101 possible 97 37 A VAL N 12 N3H1s 0.700 1.640 3.070 15.150 13.676 1.108 possible 98 37 A VAL CA 3 C4H1s 0.770 1.880 3.077 13.564 13.123 1.034 possible 99 37 A VAL C 1 C3H0s 0.770 1.610 2.167 7.123 8.563 0.832 [OK] 100 37 A VAL O 16 O1H0u 0.660 1.420 2.889 16.895 16.181 1.044 [OK] 101 37 A VAL CB 4 C4H1b 0.770 1.880 4.028 17.605 14.598 1.206 possible 102 37 A VAL CG1 10 C4H3u 0.770 1.880 22.648 -1.000 36.584 -1.000 bad 103 37 A VAL CG2 10 C4H3u 0.770 1.880 50.400 -1.000 36.332 -1.000 bad 104 38 A ILE N 12 N3H1s 0.700 1.640 2.441 11.752 13.633 0.862 [OK] 105 38 A ILE CA 3 C4H1s 0.770 1.880 3.971 16.819 13.007 1.293 possible 106 38 A ILE C 1 C3H0s 0.770 1.610 2.353 7.398 8.470 0.873 [OK] 107 38 A ILE O 16 O1H0u 0.660 1.420 4.125 16.368 16.144 1.014 possible 108 38 A ILE CB 4 C4H1b 0.770 1.880 3.612 15.021 14.227 1.056 possible 109 38 A ILE CG1 9 C4H2b 0.770 1.880 28.632 -1.000 24.187 -1.000 bad 110 38 A ILE CG2 10 C4H3u 0.770 1.880 42.573 -1.000 35.961 -1.000 bad 111 38 A ILE CD1 10 C4H3u 0.770 1.880 22.377 -1.000 38.377 -1.000 bad 112 39 A VAL N 12 N3H1s 0.700 1.640 2.789 12.375 13.676 0.905 [OK] 113 39 A VAL CA 3 C4H1s 0.770 1.880 4.012 16.760 13.123 1.277 possible 114 39 A VAL C 1 C3H0s 0.770 1.610 2.403 7.381 8.563 0.862 [OK] 115 39 A VAL O 16 O1H0u 0.660 1.420 3.143 16.266 16.181 1.005 possible 116 39 A VAL CB 4 C4H1b 0.770 1.880 2.814 12.867 14.598 0.881 [OK] 117 39 A VAL CG1 10 C4H3u 0.770 1.880 3.861 39.126 36.584 1.069 possible 118 39 A VAL CG2 10 C4H3u 0.770 1.880 29.311 -1.000 36.332 -1.000 bad 119 40 A LEU N 12 N3H1s 0.700 1.640 2.477 12.614 13.655 0.924 [OK] 120 40 A LEU CA 3 C4H1s 0.770 1.880 2.925 13.314 13.122 1.015 [OK] 121 40 A LEU C 1 C3H0s 0.770 1.610 2.723 8.632 8.825 0.978 [OK] 122 40 A LEU O 16 O1H0u 0.660 1.420 2.575 12.527 16.208 0.773 [OK] 123 40 A LEU CB 8 C4H2s 0.770 1.880 3.610 25.069 22.951 1.092 possible 124 40 A LEU CG 4 C4H1b 0.770 1.880 2.833 14.027 14.764 0.950 [OK] 125 40 A LEU CD1 10 C4H3u 0.770 1.880 5.608 81.211 37.425 2.170 possible 126 40 A LEU CD2 10 C4H3u 0.770 1.880 3.130 34.264 37.143 0.922 possible 127 41 A LEU N 12 N3H1s 0.700 1.640 2.757 12.501 13.655 0.916 [OK] 128 41 A LEU CA 3 C4H1s 0.770 1.880 2.780 13.474 13.122 1.027 [OK] 129 41 A LEU C 1 C3H0s 0.770 1.610 4.130 8.944 8.825 1.013 possible 130 41 A LEU O 16 O1H0u 0.660 1.420 4.188 -1.000 16.208 -1.000 bad 131 41 A LEU CB 8 C4H2s 0.770 1.880 13.536 -1.000 22.951 -1.000 bad 132 41 A LEU CG 4 C4H1b 0.770 1.880 3.628 17.219 14.764 1.166 possible 133 41 A LEU CD1 10 C4H3u 0.770 1.880 60.348 -1.000 37.425 -1.000 bad 134 41 A LEU CD2 10 C4H3u 0.770 1.880 18.169 -1.000 37.143 -1.000 bad 135 42 A ALA N 12 N3H1s 0.700 1.640 4.534 13.371 14.046 0.952 possible 136 42 A ALA CA 4 C4H1b 0.770 1.880 12.235 -1.000 14.063 -1.000 bad 137 42 A ALA C 1 C3H0s 0.770 1.610 3.755 9.380 8.900 1.054 possible 138 42 A ALA O 16 O1H0u 0.660 1.420 5.222 27.106 16.188 1.674 possible 139 42 A ALA CB 10 C4H3u 0.770 1.880 33.482 -1.000 36.782 -1.000 bad 140 43 A GLY N 12 N3H1s 0.700 1.640 4.087 14.859 14.854 1.000 possible 141 43 A GLY CA 8 C4H2s 0.770 1.880 4.361 34.107 23.688 1.440 possible 142 43 A GLY C 2 C3H0b 0.770 1.610 2.763 10.152 9.840 1.032 [OK] 143 43 A GLY O 16 O1H0u 0.660 1.420 2.485 14.688 16.391 0.896 [OK] 144 44 A SER N 12 N3H1s 0.700 1.640 2.567 12.756 14.103 0.905 [OK] 145 44 A SER CA 3 C4H1s 0.770 1.880 2.932 14.195 13.476 1.053 [OK] 146 44 A SER C 1 C3H0s 0.770 1.610 2.731 8.633 8.923 0.968 [OK] 147 44 A SER O 16 O1H0u 0.660 1.420 2.473 15.620 16.179 0.965 [OK] 148 44 A SER CB 8 C4H2s 0.770 1.880 2.963 20.877 23.884 0.874 [OK] 149 44 A SER OG 17 O2H1u 0.660 1.460 2.986 17.262 18.732 0.922 [OK] 150 45 A TYR N 12 N3H1s 0.700 1.640 2.510 12.562 13.691 0.918 [OK] 151 45 A TYR CA 3 C4H1s 0.770 1.880 2.537 11.532 13.330 0.865 [OK] 152 45 A TYR C 1 C3H0s 0.770 1.610 2.718 10.470 8.770 1.194 [OK] 153 45 A TYR O 16 O1H0u 0.660 1.420 11.003 -1.000 16.124 -1.000 bad 154 45 A TYR CB 8 C4H2s 0.770 1.880 15.424 -1.000 23.678 -1.000 bad 155 45 A TYR CG 2 C3H0b 0.770 1.610 4.902 13.204 9.732 1.357 possible 156 45 A TYR CD1 5 C3H1s 0.770 1.760 3.828 18.837 20.171 0.934 possible 157 45 A TYR CD2 5 C3H1s 0.770 1.760 16.896 -1.000 20.728 -1.000 bad 158 45 A TYR CE1 5 C3H1s 0.770 1.760 3.815 25.148 20.675 1.216 possible 159 45 A TYR CE2 5 C3H1s 0.770 1.760 25.656 -1.000 20.810 -1.000 bad 160 45 A TYR CZ 2 C3H0b 0.770 1.610 4.260 13.927 9.926 1.403 possible 161 45 A TYR OH 17 O2H1u 0.660 1.460 34.433 -1.000 19.173 -1.000 bad 162 46 A LEU N 12 N3H1s 0.700 1.640 2.569 13.136 13.655 0.962 [OK] 163 46 A LEU CA 3 C4H1s 0.770 1.880 2.680 11.932 13.122 0.909 [OK] 164 46 A LEU C 1 C3H0s 0.770 1.610 2.387 8.653 8.825 0.980 [OK] 165 46 A LEU O 16 O1H0u 0.660 1.420 2.999 16.172 16.208 0.998 [OK] 166 46 A LEU CB 8 C4H2s 0.770 1.880 3.337 22.306 22.951 0.972 possible 167 46 A LEU CG 4 C4H1b 0.770 1.880 4.592 18.656 14.764 1.264 possible 168 46 A LEU CD1 10 C4H3u 0.770 1.880 57.846 -1.000 37.425 -1.000 bad 169 46 A LEU CD2 10 C4H3u 0.770 1.880 7.679 96.950 37.143 2.610 possible 170 47 A ALA N 12 N3H1s 0.700 1.640 2.341 12.347 14.046 0.879 [OK] 171 47 A ALA CA 4 C4H1b 0.770 1.880 2.839 15.246 14.063 1.084 [OK] 172 47 A ALA C 1 C3H0s 0.770 1.610 2.703 8.914 8.900 1.002 [OK] 173 47 A ALA O 16 O1H0u 0.660 1.420 2.468 14.572 16.188 0.900 [OK] 174 47 A ALA CB 10 C4H3u 0.770 1.880 3.042 42.062 36.782 1.144 possible 175 48 A VAL N 12 N3H1s 0.700 1.640 2.801 15.395 13.676 1.126 [OK] 176 48 A VAL CA 3 C4H1s 0.770 1.880 2.882 12.505 13.123 0.953 [OK] 177 48 A VAL C 1 C3H0s 0.770 1.610 2.355 7.122 8.563 0.832 [OK] 178 48 A VAL O 16 O1H0u 0.660 1.420 2.480 12.439 16.181 0.769 [OK] 179 48 A VAL CB 4 C4H1b 0.770 1.880 2.853 13.626 14.598 0.933 [OK] 180 48 A VAL CG1 10 C4H3u 0.770 1.880 3.418 36.701 36.584 1.003 possible 181 48 A VAL CG2 10 C4H3u 0.770 1.880 3.042 29.669 36.332 0.817 possible 182 49 A LEU N 12 N3H1s 0.700 1.640 2.813 15.215 13.655 1.114 [OK] 183 49 A LEU CA 3 C4H1s 0.770 1.880 4.859 21.473 13.122 1.636 possible 184 49 A LEU C 1 C3H0s 0.770 1.610 3.000 10.064 8.825 1.140 [OK] 185 49 A LEU O 16 O1H0u 0.660 1.420 25.770 -1.000 16.208 -1.000 bad 186 49 A LEU CB 8 C4H2s 0.770 1.880 16.619 -1.000 22.951 -1.000 bad 187 49 A LEU CG 4 C4H1b 0.770 1.880 2.829 12.252 14.764 0.830 [OK] 188 49 A LEU CD1 10 C4H3u 0.770 1.880 32.360 -1.000 37.425 -1.000 bad 189 49 A LEU CD2 10 C4H3u 0.770 1.880 27.032 -1.000 37.143 -1.000 bad 190 50 A ALA N 12 N3H1s 0.700 1.640 2.459 11.181 14.046 0.796 [OK] 191 50 A ALA CA 4 C4H1b 0.770 1.880 5.195 22.624 14.063 1.609 possible 192 50 A ALA C 1 C3H0s 0.770 1.610 3.529 11.111 8.900 1.248 possible 193 50 A ALA O 16 O1H0u 0.660 1.420 7.720 47.179 16.188 2.914 possible 194 50 A ALA CB 10 C4H3u 0.770 1.880 4.006 45.521 36.782 1.238 possible 195 51 A GLU N 12 N3H1s 0.700 1.640 2.845 11.325 13.615 0.832 [OK] 196 51 A GLU CA 3 C4H1s 0.770 1.880 3.305 14.414 13.399 1.076 possible 197 51 A GLU C 1 C3H0s 0.770 1.610 2.994 9.825 8.675 1.133 [OK] 198 51 A GLU O 16 O1H0u 0.660 1.420 2.871 20.095 16.023 1.254 [OK] 199 51 A GLU CB 8 C4H2s 0.770 1.880 3.313 24.853 23.529 1.056 possible 200 51 A GLU CG 8 C4H2s 0.770 1.880 3.042 23.501 23.513 1.000 possible 201 51 A GLU CD 2 C3H0b 0.770 1.610 2.920 9.782 9.460 1.034 [OK] 202 51 A GLU OE1 16 O1H0u 0.660 1.420 2.646 18.724 15.999 1.170 [OK] 203 51 A GLU OE2 16 O1H0u 0.660 1.420 2.859 13.549 17.432 0.777 [OK] 204 52 A ARG N 12 N3H1s 0.700 1.640 3.238 14.252 13.650 1.044 possible 205 52 A ARG CA 3 C4H1s 0.770 1.880 2.578 12.184 13.422 0.908 [OK] 206 52 A ARG C 1 C3H0s 0.770 1.610 2.735 8.054 8.838 0.911 [OK] 207 52 A ARG O 16 O1H0u 0.660 1.420 17.158 -1.000 16.084 -1.000 bad 208 52 A ARG CB 8 C4H2s 0.770 1.880 5.648 34.484 23.088 1.494 possible 209 52 A ARG CG 8 C4H2s 0.770 1.880 21.885 -1.000 23.640 -1.000 bad 210 52 A ARG CD 8 C4H2s 0.770 1.880 16.859 -1.000 23.300 -1.000 bad 211 52 A ARG NE 13 N3H1b 0.700 1.640 10.183 -1.000 15.569 -1.000 bad 212 52 A ARG CZ 2 C3H0b 0.770 1.610 1.880 -1.000 9.747 -1.000 bad 213 52 A ARG NH1 15 N3H2u 0.700 1.640 20.538 -1.000 22.782 -1.000 bad 214 52 A ARG NH2 15 N3H2u 0.700 1.640 43.399 -1.000 23.810 -1.000 bad 215 53 A GLY N 12 N3H1s 0.700 1.640 6.418 35.167 14.854 2.368 possible 216 53 A GLY CA 8 C4H2s 0.770 1.880 36.609 -1.000 23.688 -1.000 bad 217 53 A GLY C 2 C3H0b 0.770 1.610 1.998 -1.000 9.840 -1.000 bad 218 53 A GLY O 16 O1H0u 0.660 1.420 31.561 -1.000 16.391 -1.000 bad 219 54 A ALA N 12 N3H1s 0.700 1.640 6.025 -1.000 14.046 -1.000 bad 220 54 A ALA CA 4 C4H1b 0.770 1.880 9.643 -1.000 14.063 -1.000 bad 221 54 A ALA C 1 C3H0s 0.770 1.610 1.987 -1.000 8.900 -1.000 bad 222 54 A ALA O 16 O1H0u 0.660 1.420 12.555 -1.000 16.188 -1.000 bad 223 54 A ALA CB 10 C4H3u 0.770 1.880 21.632 -1.000 36.782 -1.000 bad 224 55 A PRO N 11 N3H0u 0.700 1.640 0.780 -1.000 8.823 -1.000 bad 225 55 A PRO CA 4 C4H1b 0.770 1.880 15.972 -1.000 13.955 -1.000 bad 226 55 A PRO C 1 C3H0s 0.770 1.610 4.460 12.340 8.812 1.400 possible 227 55 A PRO O 16 O1H0u 0.660 1.420 27.196 -1.000 16.169 -1.000 bad 228 55 A PRO CB 9 C4H2b 0.770 1.880 33.620 -1.000 25.563 -1.000 bad 229 55 A PRO CG 9 C4H2b 0.770 1.880 43.441 -1.000 25.832 -1.000 bad 230 55 A PRO CD 8 C4H2s 0.770 1.880 23.816 -1.000 23.836 -1.000 bad 231 56 A GLY N 12 N3H1s 0.700 1.640 3.349 18.731 14.854 1.261 possible 232 56 A GLY CA 8 C4H2s 0.770 1.880 3.566 28.702 23.688 1.212 possible 233 56 A GLY C 2 C3H0b 0.770 1.610 3.698 11.578 9.840 1.177 possible 234 56 A GLY O 16 O1H0u 0.660 1.420 14.232 -1.000 16.391 -1.000 bad 235 57 A ALA N 12 N3H1s 0.700 1.640 4.963 27.834 14.046 1.982 possible 236 57 A ALA CA 4 C4H1b 0.770 1.880 14.420 -1.000 14.063 -1.000 bad 237 57 A ALA C 1 C3H0s 0.770 1.610 4.393 12.275 8.900 1.379 possible 238 57 A ALA O 16 O1H0u 0.660 1.420 3.636 17.347 16.188 1.072 possible 239 57 A ALA CB 10 C4H3u 0.770 1.880 20.435 -1.000 36.782 -1.000 bad 240 58 A GLN N 12 N3H1s 0.700 1.640 5.617 -1.000 13.616 -1.000 bad 241 58 A GLN CA 3 C4H1s 0.770 1.880 6.186 18.842 13.334 1.413 possible 242 58 A GLN C 1 C3H0s 0.770 1.610 2.742 9.127 8.787 1.039 [OK] 243 58 A GLN O 16 O1H0u 0.660 1.420 2.600 15.847 15.993 0.991 [OK] 244 58 A GLN CB 8 C4H2s 0.770 1.880 5.417 33.580 23.275 1.443 possible 245 58 A GLN CG 8 C4H2s 0.770 1.880 7.213 50.440 23.465 2.150 possible 246 58 A GLN CD 2 C3H0b 0.770 1.610 5.525 15.854 9.659 1.641 possible 247 58 A GLN OE1 16 O1H0u 0.660 1.420 41.502 -1.000 17.091 -1.000 bad 248 58 A GLN NE2 15 N3H2u 0.700 1.640 30.911 -1.000 24.150 -1.000 bad 249 59 A LEU N 12 N3H1s 0.700 1.640 2.804 15.397 13.655 1.128 [OK] 250 59 A LEU CA 3 C4H1s 0.770 1.880 3.014 15.252 13.122 1.162 possible 251 59 A LEU C 1 C3H0s 0.770 1.610 2.711 10.079 8.825 1.142 [OK] 252 59 A LEU O 16 O1H0u 0.660 1.420 2.649 16.188 16.208 0.999 [OK] 253 59 A LEU CB 8 C4H2s 0.770 1.880 3.114 22.790 22.951 0.993 possible 254 59 A LEU CG 4 C4H1b 0.770 1.880 3.053 17.997 14.764 1.219 possible 255 59 A LEU CD1 10 C4H3u 0.770 1.880 3.038 33.256 37.425 0.889 possible 256 59 A LEU CD2 10 C4H3u 0.770 1.880 3.139 38.138 37.143 1.027 possible 257 60 A ILE N 12 N3H1s 0.700 1.640 2.430 9.658 13.633 0.708 [OK] 258 60 A ILE CA 3 C4H1s 0.770 1.880 2.685 13.232 13.007 1.017 [OK] 259 60 A ILE C 1 C3H0s 0.770 1.610 2.302 8.237 8.470 0.972 [OK] 260 60 A ILE O 16 O1H0u 0.660 1.420 2.627 15.806 16.144 0.979 [OK] 261 60 A ILE CB 4 C4H1b 0.770 1.880 3.746 17.137 14.227 1.205 possible 262 60 A ILE CG1 9 C4H2b 0.770 1.880 27.711 -1.000 24.187 -1.000 bad 263 60 A ILE CG2 10 C4H3u 0.770 1.880 5.799 49.747 35.961 1.383 possible 264 61 A THR N 12 N3H1s 0.700 1.640 2.537 13.448 13.832 0.972 [OK] 265 61 A THR CA 3 C4H1s 0.770 1.880 2.943 13.754 13.099 1.050 [OK] 266 61 A THR C 1 C3H0s 0.770 1.610 2.211 7.707 8.738 0.882 [OK] 267 61 A THR O 16 O1H0u 0.660 1.420 2.439 13.836 16.020 0.864 [OK] 268 61 A THR CB 4 C4H1b 0.770 1.880 3.408 14.715 14.829 0.992 possible 269 61 A THR OG1 17 O2H1u 0.660 1.460 10.326 -1.000 18.123 -1.000 bad 270 61 A THR CG2 10 C4H3u 0.770 1.880 33.550 -1.000 36.542 -1.000 bad 271 62 A TYR N 12 N3H1s 0.700 1.640 3.368 15.681 13.691 1.145 possible 272 62 A TYR CA 3 C4H1s 0.770 1.880 3.004 13.237 13.330 0.993 possible 273 62 A TYR C 1 C3H0s 0.770 1.610 2.905 8.735 8.770 0.996 [OK] 274 62 A TYR O 16 O1H0u 0.660 1.420 2.758 18.021 16.124 1.118 [OK] 275 62 A TYR CB 8 C4H2s 0.770 1.880 5.235 31.494 23.678 1.330 possible 276 62 A TYR CG 2 C3H0b 0.770 1.610 2.664 9.744 9.732 1.001 [OK] 277 62 A TYR CD1 5 C3H1s 0.770 1.760 2.835 16.897 20.171 0.838 [OK] 278 62 A TYR CD2 5 C3H1s 0.770 1.760 17.000 -1.000 20.728 -1.000 bad 279 62 A TYR CE1 5 C3H1s 0.770 1.760 3.244 20.382 20.675 0.986 possible 280 62 A TYR CE2 5 C3H1s 0.770 1.760 24.012 -1.000 20.810 -1.000 bad 281 62 A TYR CZ 2 C3H0b 0.770 1.610 4.439 13.210 9.926 1.331 possible 282 62 A TYR OH 17 O2H1u 0.660 1.460 26.068 -1.000 19.173 -1.000 bad 283 63 A PRO N 11 N3H0u 0.700 1.640 3.183 9.545 8.823 1.082 possible 284 63 A PRO CA 4 C4H1b 0.770 1.880 4.002 21.057 13.955 1.509 possible 285 63 A PRO C 1 C3H0s 0.770 1.610 3.917 10.549 8.812 1.197 possible 286 63 A PRO O 16 O1H0u 0.660 1.420 5.215 47.669 16.169 2.948 possible 287 63 A PRO CB 9 C4H2b 0.770 1.880 35.313 -1.000 25.563 -1.000 bad 288 63 A PRO CG 9 C4H2b 0.770 1.880 36.814 -1.000 25.832 -1.000 bad 289 63 A PRO CD 8 C4H2s 0.770 1.880 5.847 30.155 23.836 1.265 possible 290 64 A ARG N 12 N3H1s 0.700 1.640 3.516 13.326 13.650 0.976 possible 291 64 A ARG CA 3 C4H1s 0.770 1.880 3.830 19.592 13.422 1.460 possible 292 64 A ARG C 1 C3H0s 0.770 1.610 2.739 9.241 8.838 1.046 [OK] 293 64 A ARG O 16 O1H0u 0.660 1.420 2.909 19.083 16.084 1.186 [OK] 294 64 A ARG CB 8 C4H2s 0.770 1.880 4.078 41.564 23.088 1.800 possible 295 65 A ALA N 12 N3H1s 0.700 1.640 2.673 13.569 14.046 0.966 [OK] 296 65 A ALA CA 4 C4H1b 0.770 1.880 2.779 13.399 14.063 0.953 [OK] 297 65 A ALA C 1 C3H0s 0.770 1.610 2.164 8.230 8.900 0.925 [OK] 298 65 A ALA O 16 O1H0u 0.660 1.420 2.336 13.037 16.188 0.805 [OK] 299 65 A ALA CB 10 C4H3u 0.770 1.880 3.091 34.522 36.782 0.939 possible 300 66 A LEU N 12 N3H1s 0.700 1.640 2.585 14.113 13.655 1.034 [OK] 301 66 A LEU CA 3 C4H1s 0.770 1.880 3.391 12.810 13.122 0.976 possible 302 66 A LEU C 1 C3H0s 0.770 1.610 2.966 8.765 8.825 0.993 [OK] 303 66 A LEU O 16 O1H0u 0.660 1.420 3.035 14.509 16.208 0.895 possible 304 66 A LEU CB 8 C4H2s 0.770 1.880 4.668 32.632 22.951 1.422 possible 305 66 A LEU CG 4 C4H1b 0.770 1.880 3.180 16.824 14.764 1.140 possible 306 66 A LEU CD1 10 C4H3u 0.770 1.880 49.866 -1.000 37.425 -1.000 bad 307 66 A LEU CD2 10 C4H3u 0.770 1.880 3.760 33.173 37.143 0.893 possible 308 67 A TRP N 12 N3H1s 0.700 1.640 4.622 20.315 13.791 1.473 possible 309 67 A TRP CA 3 C4H1s 0.770 1.880 5.046 19.240 13.377 1.438 possible 310 67 A TRP C 1 C3H0s 0.770 1.610 2.460 8.499 8.724 0.974 [OK] 311 67 A TRP O 16 O1H0u 0.660 1.420 3.050 18.833 15.951 1.181 possible 312 67 A TRP CB 8 C4H2s 0.770 1.880 4.870 39.341 24.004 1.639 possible 313 67 A TRP CG 2 C3H0b 0.770 1.610 2.139 8.685 9.965 0.872 [OK] 314 67 A TRP CD1 5 C3H1s 0.770 1.760 3.260 25.391 20.874 1.216 possible 315 67 A TRP CD2 2 C3H0b 0.770 1.610 2.690 9.032 10.097 0.895 [OK] 316 67 A TRP NE1 13 N3H1b 0.700 1.640 3.104 22.326 16.969 1.316 possible 317 67 A TRP CE2 2 C3H0b 0.770 1.610 2.694 10.702 9.889 1.082 [OK] 318 67 A TRP CE3 6 C3H1b 0.770 1.760 4.718 30.207 20.448 1.477 possible 319 67 A TRP CZ2 6 C3H1b 0.770 1.760 2.859 21.852 21.012 1.040 [OK] 320 67 A TRP CZ3 6 C3H1b 0.770 1.760 3.065 25.249 21.516 1.173 possible 321 67 A TRP CH2 6 C3H1b 0.770 1.760 3.060 22.194 21.339 1.040 possible 322 68 A TRP N 12 N3H1s 0.700 1.640 2.655 12.661 13.791 0.918 [OK] 323 68 A TRP CA 3 C4H1s 0.770 1.880 3.653 18.046 13.377 1.349 possible 324 68 A TRP C 1 C3H0s 0.770 1.610 2.200 7.983 8.724 0.915 [OK] 325 68 A TRP O 16 O1H0u 0.660 1.420 2.690 14.165 15.951 0.888 [OK] 326 68 A TRP CB 8 C4H2s 0.770 1.880 2.901 22.039 24.004 0.918 [OK] 327 68 A TRP CG 2 C3H0b 0.770 1.610 2.414 8.702 9.965 0.873 [OK] 328 68 A TRP CD1 5 C3H1s 0.770 1.760 3.553 26.156 20.874 1.253 possible 329 68 A TRP CD2 2 C3H0b 0.770 1.610 2.648 10.020 10.097 0.992 [OK] 330 68 A TRP NE1 13 N3H1b 0.700 1.640 2.335 14.159 16.969 0.834 [OK] 331 68 A TRP CE2 2 C3H0b 0.770 1.610 2.647 9.839 9.889 0.995 [OK] 332 68 A TRP CE3 6 C3H1b 0.770 1.760 2.793 21.559 20.448 1.054 [OK] 333 68 A TRP CZ2 6 C3H1b 0.770 1.760 2.733 19.712 21.012 0.938 [OK] 334 68 A TRP CZ3 6 C3H1b 0.770 1.760 2.989 24.160 21.516 1.123 [OK] 335 68 A TRP CH2 6 C3H1b 0.770 1.760 2.888 21.515 21.339 1.008 [OK] 336 69 A SER N 12 N3H1s 0.700 1.640 2.265 10.531 14.103 0.747 [OK] 337 69 A SER CA 3 C4H1s 0.770 1.880 2.915 14.620 13.476 1.085 [OK] 338 69 A SER C 1 C3H0s 0.770 1.610 2.179 8.053 8.923 0.902 [OK] 339 69 A SER O 16 O1H0u 0.660 1.420 2.176 13.000 16.179 0.804 [OK] 340 69 A SER CB 8 C4H2s 0.770 1.880 3.364 23.566 23.884 0.987 possible 341 69 A SER OG 17 O2H1u 0.660 1.460 2.683 21.960 18.732 1.172 [OK] 342 70 A VAL N 12 N3H1s 0.700 1.640 2.595 13.191 13.676 0.965 [OK] 343 70 A VAL CA 3 C4H1s 0.770 1.880 3.727 15.366 13.123 1.171 possible 344 70 A VAL C 1 C3H0s 0.770 1.610 2.226 7.687 8.563 0.898 [OK] 345 70 A VAL O 16 O1H0u 0.660 1.420 3.313 14.452 16.181 0.893 possible 346 70 A VAL CB 4 C4H1b 0.770 1.880 3.113 15.463 14.598 1.059 possible 347 70 A VAL CG1 10 C4H3u 0.770 1.880 4.794 51.584 36.584 1.410 possible 348 70 A VAL CG2 10 C4H3u 0.770 1.880 6.469 82.628 36.332 2.274 possible 349 71 A GLU N 12 N3H1s 0.700 1.640 3.007 15.354 13.615 1.128 possible 350 71 A GLU CA 3 C4H1s 0.770 1.880 3.239 14.682 13.399 1.096 possible 351 71 A GLU C 1 C3H0s 0.770 1.610 2.768 8.707 8.675 1.004 [OK] 352 71 A GLU O 16 O1H0u 0.660 1.420 2.482 15.006 16.023 0.937 [OK] 353 71 A GLU CB 8 C4H2s 0.770 1.880 3.823 58.375 23.529 2.481 possible 354 72 A THR N 12 N3H1s 0.700 1.640 3.061 14.125 13.832 1.021 possible 355 72 A THR CA 3 C4H1s 0.770 1.880 3.152 15.827 13.099 1.208 possible 356 72 A THR C 1 C3H0s 0.770 1.610 2.417 7.834 8.738 0.897 [OK] 357 72 A THR O 16 O1H0u 0.660 1.420 2.667 17.024 16.020 1.063 [OK] 358 72 A THR CB 4 C4H1b 0.770 1.880 2.901 13.937 14.829 0.940 [OK] 359 72 A THR OG1 17 O2H1u 0.660 1.460 2.911 18.037 18.123 0.995 [OK] 360 72 A THR CG2 10 C4H3u 0.770 1.880 3.146 35.083 36.542 0.960 possible 361 73 A ALA N 12 N3H1s 0.700 1.640 2.431 12.294 14.046 0.875 [OK] 362 73 A ALA CA 4 C4H1b 0.770 1.880 2.818 14.234 14.063 1.012 [OK] 363 73 A ALA C 1 C3H0s 0.770 1.610 3.093 8.684 8.900 0.976 possible 364 73 A ALA O 16 O1H0u 0.660 1.420 3.208 23.295 16.188 1.439 possible 365 73 A ALA CB 10 C4H3u 0.770 1.880 4.180 42.222 36.782 1.148 possible 366 74 A THR N 12 N3H1s 0.700 1.640 3.221 12.601 13.832 0.911 possible 367 74 A THR CA 3 C4H1s 0.770 1.880 3.379 16.461 13.099 1.257 possible 368 74 A THR C 1 C3H0s 0.770 1.610 2.539 7.907 8.738 0.905 [OK] 369 74 A THR O 16 O1H0u 0.660 1.420 4.084 25.677 16.020 1.603 possible 370 74 A THR CB 4 C4H1b 0.770 1.880 2.494 11.439 14.829 0.771 [OK] 371 74 A THR OG1 17 O2H1u 0.660 1.460 4.107 31.073 18.123 1.715 possible 372 74 A THR CG2 10 C4H3u 0.770 1.880 3.259 30.567 36.542 0.836 possible 373 75 A THR N 12 N3H1s 0.700 1.640 2.151 10.273 13.832 0.743 [OK] 374 75 A THR CA 3 C4H1s 0.770 1.880 2.586 12.538 13.099 0.957 [OK] 375 75 A THR C 1 C3H0s 0.770 1.610 2.310 8.565 8.738 0.980 [OK] 376 75 A THR O 16 O1H0u 0.660 1.420 2.571 12.787 16.020 0.798 [OK] 377 75 A THR CB 4 C4H1b 0.770 1.880 2.832 15.165 14.829 1.023 [OK] 378 75 A THR OG1 17 O2H1u 0.660 1.460 4.017 20.290 18.123 1.120 possible 379 75 A THR CG2 10 C4H3u 0.770 1.880 5.319 59.883 36.542 1.639 possible 380 76 A VAL N 12 N3H1s 0.700 1.640 2.406 11.714 13.676 0.857 [OK] 381 76 A VAL CA 3 C4H1s 0.770 1.880 2.587 12.845 13.123 0.979 [OK] 382 76 A VAL C 1 C3H0s 0.770 1.610 2.572 9.112 8.563 1.064 [OK] 383 76 A VAL O 16 O1H0u 0.660 1.420 2.474 13.513 16.181 0.835 [OK] 384 76 A VAL CB 4 C4H1b 0.770 1.880 3.135 17.800 14.598 1.219 possible 385 76 A VAL CG1 10 C4H3u 0.770 1.880 3.194 39.063 36.584 1.068 possible 386 76 A VAL CG2 10 C4H3u 0.770 1.880 2.843 27.471 36.332 0.756 [OK] 387 77 A GLY N 12 N3H1s 0.700 1.640 2.872 16.687 14.854 1.123 [OK] 388 77 A GLY CA 8 C4H2s 0.770 1.880 3.296 25.300 23.688 1.068 possible 389 77 A GLY C 2 C3H0b 0.770 1.610 2.477 8.835 9.840 0.898 [OK] 390 77 A GLY O 16 O1H0u 0.660 1.420 2.223 13.677 16.391 0.834 [OK] 391 78 A TYR N 12 N3H1s 0.700 1.640 3.499 21.112 13.691 1.542 possible 392 78 A TYR CA 3 C4H1s 0.770 1.880 2.701 13.426 13.330 1.007 [OK] 393 78 A TYR C 1 C3H0s 0.770 1.610 2.415 7.985 8.770 0.911 [OK] 394 78 A TYR O 16 O1H0u 0.660 1.420 5.548 25.975 16.124 1.611 possible 395 78 A TYR CB 8 C4H2s 0.770 1.880 3.153 25.282 23.678 1.068 possible 396 78 A TYR CG 2 C3H0b 0.770 1.610 2.663 10.667 9.732 1.096 [OK] 397 78 A TYR CD1 5 C3H1s 0.770 1.760 2.787 21.104 20.171 1.046 [OK] 398 78 A TYR CD2 5 C3H1s 0.770 1.760 2.995 25.062 20.728 1.209 [OK] 399 78 A TYR CE1 5 C3H1s 0.770 1.760 3.445 26.324 20.675 1.273 possible 400 78 A TYR CE2 5 C3H1s 0.770 1.760 3.069 24.889 20.810 1.196 possible 401 78 A TYR CZ 2 C3H0b 0.770 1.610 2.802 10.750 9.926 1.083 [OK] 402 78 A TYR OH 17 O2H1u 0.660 1.460 2.699 21.225 19.173 1.107 [OK] 403 79 A GLY N 12 N3H1s 0.700 1.640 3.255 17.771 14.854 1.196 possible 404 79 A GLY CA 8 C4H2s 0.770 1.880 5.542 29.423 23.688 1.242 possible 405 79 A GLY C 2 C3H0b 0.770 1.610 4.859 14.647 9.840 1.488 possible 406 79 A GLY O 16 O1H0u 0.660 1.420 12.289 -1.000 16.391 -1.000 bad 407 80 A ASP N 12 N3H1s 0.700 1.640 4.673 18.357 13.895 1.321 possible 408 80 A ASP CA 3 C4H1s 0.770 1.880 5.369 27.437 13.377 2.051 possible 409 80 A ASP C 1 C3H0s 0.770 1.610 2.632 8.118 8.816 0.921 [OK] 410 80 A ASP O 16 O1H0u 0.660 1.420 17.237 -1.000 16.091 -1.000 bad 411 80 A ASP CB 8 C4H2s 0.770 1.880 3.816 24.865 23.481 1.059 possible 412 80 A ASP CG 2 C3H0b 0.770 1.610 2.703 9.172 9.422 0.973 [OK] 413 80 A ASP OD1 16 O1H0u 0.660 1.420 3.126 26.514 15.505 1.710 possible 414 80 A ASP OD2 16 O1H0u 0.660 1.420 4.385 27.045 16.324 1.657 possible 415 81 A LEU N 12 N3H1s 0.700 1.640 2.724 13.881 13.655 1.017 [OK] 416 81 A LEU CA 3 C4H1s 0.770 1.880 3.231 14.980 13.122 1.142 possible 417 81 A LEU C 1 C3H0s 0.770 1.610 2.410 8.470 8.825 0.960 [OK] 418 81 A LEU O 16 O1H0u 0.660 1.420 3.068 21.815 16.208 1.346 possible 419 81 A LEU CB 8 C4H2s 0.770 1.880 3.423 26.830 22.951 1.169 possible 420 81 A LEU CG 4 C4H1b 0.770 1.880 3.365 12.260 14.764 0.830 possible 421 81 A LEU CD1 10 C4H3u 0.770 1.880 3.902 50.674 37.425 1.354 possible 422 81 A LEU CD2 10 C4H3u 0.770 1.880 4.673 50.467 37.143 1.359 possible 423 82 A TYR N 12 N3H1s 0.700 1.640 2.833 16.917 13.691 1.236 [OK] 424 82 A TYR CA 3 C4H1s 0.770 1.880 2.581 12.993 13.330 0.975 [OK] 425 82 A TYR C 1 C3H0s 0.770 1.610 2.183 8.116 8.770 0.925 [OK] 426 82 A TYR O 16 O1H0u 0.660 1.420 2.821 20.448 16.124 1.268 [OK] 427 82 A TYR CB 8 C4H2s 0.770 1.880 2.841 21.517 23.678 0.909 [OK] 428 82 A TYR CG 2 C3H0b 0.770 1.610 2.783 10.344 9.732 1.063 [OK] 429 82 A TYR CD1 5 C3H1s 0.770 1.760 3.092 22.105 20.171 1.096 possible 430 82 A TYR CD2 5 C3H1s 0.770 1.760 2.950 25.071 20.728 1.210 [OK] 431 82 A TYR CE1 5 C3H1s 0.770 1.760 5.679 42.119 20.675 2.037 possible 432 82 A TYR CE2 5 C3H1s 0.770 1.760 4.800 32.170 20.810 1.546 possible 433 82 A TYR CZ 2 C3H0b 0.770 1.610 3.433 12.164 9.926 1.226 possible 434 82 A TYR OH 17 O2H1u 0.660 1.460 39.088 -1.000 19.173 -1.000 bad 435 83 A PRO N 11 N3H0u 0.700 1.640 2.399 7.578 8.823 0.859 [OK] 436 83 A PRO CA 4 C4H1b 0.770 1.880 2.329 10.812 13.955 0.775 [OK] 437 83 A PRO C 1 C3H0s 0.770 1.610 2.343 8.843 8.812 1.004 [OK] 438 83 A PRO O 16 O1H0u 0.660 1.420 2.461 16.813 16.169 1.040 [OK] 439 83 A PRO CB 9 C4H2b 0.770 1.880 3.042 24.111 25.563 0.943 possible 440 83 A PRO CG 9 C4H2b 0.770 1.880 2.717 21.237 25.832 0.822 [OK] 441 83 A PRO CD 8 C4H2s 0.770 1.880 2.822 23.368 23.836 0.980 [OK] 442 84 A VAL N 12 N3H1s 0.700 1.640 2.444 11.050 13.676 0.808 [OK] 443 84 A VAL CA 3 C4H1s 0.770 1.880 2.567 12.293 13.123 0.937 [OK] 444 84 A VAL C 1 C3H0s 0.770 1.610 3.378 9.876 8.563 1.153 possible 445 84 A VAL O 16 O1H0u 0.660 1.420 18.063 -1.000 16.181 -1.000 bad 446 84 A VAL CB 4 C4H1b 0.770 1.880 3.890 21.075 14.598 1.444 possible 447 84 A VAL CG1 10 C4H3u 0.770 1.880 7.378 148.068 36.584 4.047 possible 448 84 A VAL CG2 10 C4H3u 0.770 1.880 4.860 50.437 36.332 1.388 possible 449 85 A THR N 12 N3H1s 0.700 1.640 3.380 13.269 13.832 0.959 possible 450 85 A THR CA 3 C4H1s 0.770 1.880 5.665 22.039 13.099 1.683 possible 451 85 A THR C 1 C3H0s 0.770 1.610 2.670 8.382 8.738 0.959 [OK] 452 85 A THR O 16 O1H0u 0.660 1.420 2.275 12.454 16.020 0.777 [OK] 453 85 A THR CB 4 C4H1b 0.770 1.880 2.617 13.300 14.829 0.897 [OK] 454 85 A THR OG1 17 O2H1u 0.660 1.460 3.052 19.749 18.123 1.090 possible 455 85 A THR CG2 10 C4H3u 0.770 1.880 29.456 -1.000 36.542 -1.000 bad 456 86 A LEU N 12 N3H1s 0.700 1.640 7.961 39.509 13.655 2.893 possible 457 86 A LEU CA 3 C4H1s 0.770 1.880 3.744 15.646 13.122 1.192 possible 458 86 A LEU C 1 C3H0s 0.770 1.610 2.309 7.699 8.825 0.872 [OK] 459 86 A LEU O 16 O1H0u 0.660 1.420 4.061 21.461 16.208 1.324 possible 460 86 A LEU CB 8 C4H2s 0.770 1.880 16.900 -1.000 22.951 -1.000 bad 461 86 A LEU CG 4 C4H1b 0.770 1.880 5.248 21.778 14.764 1.475 possible 462 86 A LEU CD1 10 C4H3u 0.770 1.880 53.916 -1.000 37.425 -1.000 bad 463 86 A LEU CD2 10 C4H3u 0.770 1.880 48.890 -1.000 37.143 -1.000 bad 464 87 A TRP N 12 N3H1s 0.700 1.640 3.809 14.887 13.791 1.079 possible 465 87 A TRP CA 3 C4H1s 0.770 1.880 3.161 14.000 13.377 1.047 possible 466 87 A TRP C 1 C3H0s 0.770 1.610 2.812 8.670 8.724 0.994 [OK] 467 87 A TRP O 16 O1H0u 0.660 1.420 3.239 14.148 15.951 0.887 possible 468 87 A TRP CB 8 C4H2s 0.770 1.880 4.175 33.381 24.004 1.391 possible 469 87 A TRP CG 2 C3H0b 0.770 1.610 5.727 18.282 9.965 1.835 possible 470 87 A TRP CD1 5 C3H1s 0.770 1.760 35.927 -1.000 20.874 -1.000 bad 471 87 A TRP CD2 2 C3H0b 0.770 1.610 7.011 20.791 10.097 2.059 possible 472 87 A TRP NE1 13 N3H1b 0.700 1.640 29.060 -1.000 16.969 -1.000 bad 473 87 A TRP CE2 2 C3H0b 0.770 1.610 3.437 -1.000 9.889 -1.000 bad 474 87 A TRP CE3 6 C3H1b 0.770 1.760 7.012 26.630 20.448 1.302 possible 475 87 A TRP CZ2 6 C3H1b 0.770 1.760 35.380 -1.000 21.012 -1.000 bad 476 87 A TRP CZ3 6 C3H1b 0.770 1.760 9.449 -1.000 21.516 -1.000 bad 477 87 A TRP CH2 6 C3H1b 0.770 1.760 36.428 -1.000 21.339 -1.000 bad 478 88 A GLY N 12 N3H1s 0.700 1.640 2.739 13.924 14.854 0.937 [OK] 479 88 A GLY CA 8 C4H2s 0.770 1.880 3.042 27.863 23.688 1.176 possible 480 88 A GLY C 2 C3H0b 0.770 1.610 2.328 7.842 9.840 0.797 [OK] 481 88 A GLY O 16 O1H0u 0.660 1.420 2.587 16.789 16.391 1.024 [OK] 482 89 A ARG N 12 N3H1s 0.700 1.640 2.279 10.956 13.650 0.803 [OK] 483 89 A ARG CA 3 C4H1s 0.770 1.880 2.507 12.339 13.422 0.919 [OK] 484 89 A ARG C 1 C3H0s 0.770 1.610 4.068 9.326 8.838 1.055 possible 485 89 A ARG O 16 O1H0u 0.660 1.420 3.898 17.998 16.084 1.119 possible 486 89 A ARG CB 8 C4H2s 0.770 1.880 5.326 36.072 23.088 1.562 possible 487 89 A ARG CG 8 C4H2s 0.770 1.880 3.194 22.973 23.640 0.972 possible 488 89 A ARG CD 8 C4H2s 0.770 1.880 3.926 27.800 23.300 1.193 possible 489 89 A ARG NE 13 N3H1b 0.700 1.640 2.686 14.161 15.569 0.910 [OK] 490 89 A ARG CZ 2 C3H0b 0.770 1.610 2.625 9.228 9.747 0.947 [OK] 491 89 A ARG NH1 15 N3H2u 0.700 1.640 5.578 66.216 22.782 2.907 possible 492 89 A ARG NH2 15 N3H2u 0.700 1.640 4.634 42.163 23.810 1.771 possible 493 90 A CYS N 12 N3H1s 0.700 1.640 4.016 13.746 13.981 0.983 possible 494 90 A CYS CA 3 C4H1s 0.770 1.880 4.325 19.143 13.656 1.402 possible 495 90 A CYS C 1 C3H0s 0.770 1.610 3.158 8.983 8.897 1.010 possible 496 90 A CYS O 16 O1H0u 0.660 1.420 3.343 16.110 16.543 0.974 possible 497 90 A CYS CB 9 C4H2b 0.770 1.880 7.321 56.236 23.536 2.389 possible 498 90 A CYS SG 20 S2H1u 1.040 1.770 50.921 -1.000 34.603 -1.000 bad 499 91 A VAL N 12 N3H1s 0.700 1.640 4.040 15.385 13.676 1.125 possible 500 91 A VAL CA 3 C4H1s 0.770 1.880 4.042 18.779 13.123 1.431 possible 501 91 A VAL C 1 C3H0s 0.770 1.610 2.199 7.927 8.563 0.926 [OK] 502 91 A VAL O 16 O1H0u 0.660 1.420 2.836 15.868 16.181 0.981 [OK] 503 91 A VAL CB 4 C4H1b 0.770 1.880 2.764 14.820 14.598 1.015 [OK] 504 91 A VAL CG1 10 C4H3u 0.770 1.880 4.357 40.758 36.584 1.114 possible 505 91 A VAL CG2 10 C4H3u 0.770 1.880 5.356 55.568 36.332 1.529 possible 506 92 A ALA N 12 N3H1s 0.700 1.640 2.379 12.436 14.046 0.885 [OK] 507 92 A ALA CA 4 C4H1b 0.770 1.880 2.576 12.244 14.063 0.871 [OK] 508 92 A ALA C 1 C3H0s 0.770 1.610 2.401 8.404 8.900 0.944 [OK] 509 92 A ALA O 16 O1H0u 0.660 1.420 2.257 11.945 16.188 0.738 [OK] 510 92 A ALA CB 10 C4H3u 0.770 1.880 3.126 33.624 36.782 0.914 possible 511 93 A VAL N 12 N3H1s 0.700 1.640 2.938 13.601 13.676 0.994 [OK] 512 93 A VAL CA 3 C4H1s 0.770 1.880 3.613 15.041 13.123 1.146 possible 513 93 A VAL C 1 C3H0s 0.770 1.610 2.289 6.936 8.563 0.810 [OK] 514 93 A VAL O 16 O1H0u 0.660 1.420 3.327 14.306 16.181 0.884 possible 515 93 A VAL CB 4 C4H1b 0.770 1.880 3.859 15.850 14.598 1.086 possible 516 93 A VAL CG1 10 C4H3u 0.770 1.880 33.767 -1.000 36.584 -1.000 bad 517 93 A VAL CG2 10 C4H3u 0.770 1.880 6.805 78.125 36.332 2.150 possible 518 94 A VAL N 12 N3H1s 0.700 1.640 2.630 12.969 13.676 0.948 [OK] 519 94 A VAL CA 3 C4H1s 0.770 1.880 3.692 16.878 13.123 1.286 possible 520 94 A VAL C 1 C3H0s 0.770 1.610 2.249 6.976 8.563 0.815 [OK] 521 94 A VAL O 16 O1H0u 0.660 1.420 3.087 15.515 16.181 0.959 possible 522 94 A VAL CB 4 C4H1b 0.770 1.880 3.871 15.390 14.598 1.054 possible 523 94 A VAL CG1 10 C4H3u 0.770 1.880 27.566 -1.000 36.584 -1.000 bad 524 94 A VAL CG2 10 C4H3u 0.770 1.880 49.922 -1.000 36.332 -1.000 bad 525 95 A VAL N 12 N3H1s 0.700 1.640 3.038 12.451 13.676 0.910 possible 526 95 A VAL CA 3 C4H1s 0.770 1.880 2.769 12.767 13.123 0.973 [OK] 527 95 A VAL C 1 C3H0s 0.770 1.610 2.178 8.155 8.563 0.952 [OK] 528 95 A VAL O 16 O1H0u 0.660 1.420 2.600 17.192 16.181 1.062 [OK] 529 95 A VAL CB 4 C4H1b 0.770 1.880 3.307 19.240 14.598 1.318 possible 530 95 A VAL CG1 10 C4H3u 0.770 1.880 2.932 27.205 36.584 0.744 [OK] 531 95 A VAL CG2 10 C4H3u 0.770 1.880 3.081 35.377 36.332 0.974 possible 532 96 A MET N 12 N3H1s 0.700 1.640 2.207 10.682 13.564 0.788 [OK] 533 96 A MET CA 3 C4H1s 0.770 1.880 3.022 14.101 13.231 1.066 possible 534 96 A MET C 1 C3H0s 0.770 1.610 2.513 8.692 8.782 0.990 [OK] 535 96 A MET O 16 O1H0u 0.660 1.420 2.630 16.344 16.277 1.004 [OK] 536 96 A MET CB 8 C4H2s 0.770 1.880 3.679 23.656 23.645 1.000 possible 537 96 A MET CG 9 C4H2b 0.770 1.880 3.094 23.093 24.009 0.962 possible 538 96 A MET SD 19 S2H0u 1.040 1.770 3.225 35.130 30.093 1.167 possible 539 96 A MET CE 10 C4H3u 0.770 1.880 3.233 34.469 37.161 0.928 possible 540 97 A VAL N 12 N3H1s 0.700 1.640 2.981 12.959 13.676 0.948 [OK] 541 97 A VAL CA 3 C4H1s 0.770 1.880 3.038 14.381 13.123 1.096 possible 542 97 A VAL C 1 C3H0s 0.770 1.610 2.601 7.462 8.563 0.871 [OK] 543 97 A VAL O 16 O1H0u 0.660 1.420 2.627 13.238 16.181 0.818 [OK] 544 97 A VAL CB 4 C4H1b 0.770 1.880 6.744 27.181 14.598 1.862 possible 545 97 A VAL CG1 10 C4H3u 0.770 1.880 25.057 -1.000 36.584 -1.000 bad 546 97 A VAL CG2 10 C4H3u 0.770 1.880 32.517 -1.000 36.332 -1.000 bad 547 98 A ALA N 12 N3H1s 0.700 1.640 2.737 12.276 14.046 0.874 [OK] 548 98 A ALA CA 4 C4H1b 0.770 1.880 5.566 29.001 14.063 2.062 possible 549 98 A ALA C 1 C3H0s 0.770 1.610 2.092 7.186 8.900 0.807 [OK] 550 98 A ALA O 16 O1H0u 0.660 1.420 3.716 16.726 16.188 1.033 possible 551 98 A ALA CB 10 C4H3u 0.770 1.880 4.622 41.805 36.782 1.137 possible 552 99 A GLY N 12 N3H1s 0.700 1.640 2.525 13.173 14.854 0.887 [OK] 553 99 A GLY CA 8 C4H2s 0.770 1.880 3.235 25.501 23.688 1.077 possible 554 99 A GLY C 2 C3H0b 0.770 1.610 3.137 10.397 9.840 1.057 possible 555 99 A GLY O 16 O1H0u 0.660 1.420 3.474 17.698 16.391 1.080 possible 556 100 A ILE N 12 N3H1s 0.700 1.640 3.138 14.025 13.633 1.029 possible 557 100 A ILE CA 3 C4H1s 0.770 1.880 4.713 23.268 13.007 1.789 possible 558 100 A ILE C 1 C3H0s 0.770 1.610 3.016 8.445 8.470 0.997 possible 559 100 A ILE O 16 O1H0u 0.660 1.420 5.278 38.058 16.144 2.357 possible 560 100 A ILE CB 4 C4H1b 0.770 1.880 3.097 14.765 14.227 1.038 possible 561 100 A ILE CG1 9 C4H2b 0.770 1.880 3.768 26.669 24.187 1.103 possible 562 100 A ILE CG2 10 C4H3u 0.770 1.880 26.132 -1.000 35.961 -1.000 bad 563 100 A ILE CD1 10 C4H3u 0.770 1.880 3.730 37.277 38.377 0.971 possible 564 101 A THR N 12 N3H1s 0.700 1.640 2.887 12.543 13.832 0.907 [OK] 565 101 A THR CA 3 C4H1s 0.770 1.880 3.791 17.685 13.099 1.350 possible 566 101 A THR C 1 C3H0s 0.770 1.610 2.404 7.747 8.738 0.887 [OK] 567 101 A THR O 16 O1H0u 0.660 1.420 3.204 16.571 16.020 1.034 possible 568 101 A THR CB 4 C4H1b 0.770 1.880 3.191 14.322 14.829 0.966 possible 569 101 A THR OG1 17 O2H1u 0.660 1.460 14.267 -1.000 18.123 -1.000 bad 570 101 A THR CG2 10 C4H3u 0.770 1.880 35.486 -1.000 36.542 -1.000 bad 571 102 A SER N 12 N3H1s 0.700 1.640 3.009 12.495 14.103 0.886 possible 572 102 A SER CA 3 C4H1s 0.770 1.880 3.992 19.896 13.476 1.476 possible 573 102 A SER C 1 C3H0s 0.770 1.610 2.371 7.441 8.923 0.834 [OK] 574 102 A SER O 16 O1H0u 0.660 1.420 2.962 23.321 16.179 1.441 [OK] 575 102 A SER CB 8 C4H2s 0.770 1.880 4.232 30.912 23.884 1.294 possible 576 102 A SER OG 17 O2H1u 0.660 1.460 3.373 27.226 18.732 1.453 possible 577 103 A PHE N 12 N3H1s 0.700 1.640 2.475 12.664 13.691 0.925 [OK] 578 103 A PHE CA 3 C4H1s 0.770 1.880 3.051 13.478 13.449 1.002 possible 579 103 A PHE C 1 C3H0s 0.770 1.610 4.171 9.575 8.753 1.094 possible 580 103 A PHE O 16 O1H0u 0.660 1.420 3.936 23.739 16.151 1.470 possible 581 103 A PHE CB 8 C4H2s 0.770 1.880 4.942 36.623 23.777 1.540 possible 582 103 A PHE CG 2 C3H0b 0.770 1.610 2.875 9.945 9.721 1.023 [OK] 583 103 A PHE CD1 5 C3H1s 0.770 1.760 3.833 29.663 20.405 1.454 possible 584 103 A PHE CD2 6 C3H1b 0.770 1.760 3.850 28.303 21.051 1.344 possible 585 103 A PHE CE1 6 C3H1b 0.770 1.760 5.453 49.099 21.580 2.275 possible 586 103 A PHE CE2 6 C3H1b 0.770 1.760 4.406 34.296 21.680 1.582 possible 587 103 A PHE CZ 6 C3H1b 0.770 1.760 5.172 46.713 21.666 2.156 possible 588 104 A GLY N 12 N3H1s 0.700 1.640 4.539 15.313 14.854 1.031 possible 589 104 A GLY CA 8 C4H2s 0.770 1.880 5.520 40.455 23.688 1.708 possible 590 104 A GLY C 2 C3H0b 0.770 1.610 2.981 10.426 9.840 1.060 [OK] 591 104 A GLY O 16 O1H0u 0.660 1.420 2.679 16.268 16.391 0.992 [OK] 592 105 A LEU N 12 N3H1s 0.700 1.640 2.998 15.779 13.655 1.156 [OK] 593 105 A LEU CA 3 C4H1s 0.770 1.880 2.931 14.228 13.122 1.084 [OK] 594 105 A LEU C 1 C3H0s 0.770 1.610 2.559 8.136 8.825 0.922 [OK] 595 105 A LEU O 16 O1H0u 0.660 1.420 2.495 13.023 16.208 0.804 [OK] 596 105 A LEU CB 8 C4H2s 0.770 1.880 3.258 25.372 22.951 1.105 possible 597 105 A LEU CG 4 C4H1b 0.770 1.880 3.155 15.193 14.764 1.029 possible 598 105 A LEU CD1 10 C4H3u 0.770 1.880 7.826 84.121 37.425 2.248 possible 599 105 A LEU CD2 10 C4H3u 0.770 1.880 6.058 56.725 37.143 1.527 possible 600 106 A VAL N 12 N3H1s 0.700 1.640 2.728 14.088 13.676 1.030 [OK] 601 106 A VAL CA 3 C4H1s 0.770 1.880 3.264 14.343 13.123 1.093 possible 602 106 A VAL C 1 C3H0s 0.770 1.610 2.891 7.975 8.563 0.931 [OK] 603 106 A VAL O 16 O1H0u 0.660 1.420 3.036 15.080 16.181 0.932 possible 604 106 A VAL CB 4 C4H1b 0.770 1.880 3.562 16.002 14.598 1.096 possible 605 106 A VAL CG1 10 C4H3u 0.770 1.880 28.826 -1.000 36.584 -1.000 bad 606 106 A VAL CG2 10 C4H3u 0.770 1.880 5.250 59.669 36.332 1.642 possible 607 107 A THR N 12 N3H1s 0.700 1.640 3.274 13.569 13.832 0.981 possible 608 107 A THR CA 3 C4H1s 0.770 1.880 3.531 16.792 13.099 1.282 possible 609 107 A THR C 1 C3H0s 0.770 1.610 2.260 7.392 8.738 0.846 [OK] 610 107 A THR O 16 O1H0u 0.660 1.420 2.852 16.111 16.020 1.006 [OK] 611 107 A THR CB 4 C4H1b 0.770 1.880 3.795 15.608 14.829 1.053 possible 612 107 A THR OG1 17 O2H1u 0.660 1.460 5.937 56.782 18.123 3.133 possible 613 107 A THR CG2 10 C4H3u 0.770 1.880 4.695 49.577 36.542 1.357 possible 614 108 A ALA N 12 N3H1s 0.700 1.640 2.776 11.629 14.046 0.828 [OK] 615 108 A ALA CA 4 C4H1b 0.770 1.880 3.075 16.291 14.063 1.158 possible 616 108 A ALA C 1 C3H0s 0.770 1.610 2.507 8.081 8.900 0.908 [OK] 617 108 A ALA O 16 O1H0u 0.660 1.420 2.427 13.365 16.188 0.826 [OK] 618 108 A ALA CB 10 C4H3u 0.770 1.880 3.193 36.410 36.782 0.990 possible 619 109 A ALA N 12 N3H1s 0.700 1.640 2.373 11.897 14.046 0.847 [OK] 620 109 A ALA CA 4 C4H1b 0.770 1.880 2.604 13.893 14.063 0.988 [OK] 621 109 A ALA C 1 C3H0s 0.770 1.610 2.177 7.506 8.900 0.843 [OK] 622 109 A ALA O 16 O1H0u 0.660 1.420 2.154 13.928 16.188 0.860 [OK] 623 109 A ALA CB 10 C4H3u 0.770 1.880 3.817 33.552 36.782 0.912 possible 624 110 A LEU N 12 N3H1s 0.700 1.640 2.135 11.796 13.655 0.864 [OK] 625 110 A LEU CA 3 C4H1s 0.770 1.880 2.956 14.353 13.122 1.094 [OK] 626 110 A LEU C 1 C3H0s 0.770 1.610 2.135 8.161 8.825 0.925 [OK] 627 110 A LEU O 16 O1H0u 0.660 1.420 2.713 18.208 16.208 1.123 [OK] 628 110 A LEU CB 8 C4H2s 0.770 1.880 3.329 25.549 22.951 1.113 possible 629 110 A LEU CG 4 C4H1b 0.770 1.880 4.594 23.222 14.764 1.573 possible 630 110 A LEU CD1 10 C4H3u 0.770 1.880 6.729 56.152 37.425 1.500 possible 631 110 A LEU CD2 10 C4H3u 0.770 1.880 6.039 62.854 37.143 1.692 possible 632 111 A ALA N 12 N3H1s 0.700 1.640 2.467 11.515 14.046 0.820 [OK] 633 111 A ALA CA 4 C4H1b 0.770 1.880 2.832 14.416 14.063 1.025 [OK] 634 111 A ALA C 1 C3H0s 0.770 1.610 3.249 9.059 8.900 1.018 possible 635 111 A ALA O 16 O1H0u 0.660 1.420 3.701 22.493 16.188 1.389 possible 636 111 A ALA CB 10 C4H3u 0.770 1.880 4.360 49.002 36.782 1.332 possible 637 112 A THR N 12 N3H1s 0.700 1.640 3.108 12.158 13.832 0.879 possible 638 112 A THR CA 3 C4H1s 0.770 1.880 3.138 14.666 13.099 1.120 possible 639 112 A THR C 1 C3H0s 0.770 1.610 2.526 7.914 8.738 0.906 [OK] 640 112 A THR O 16 O1H0u 0.660 1.420 3.891 18.920 16.020 1.181 possible 641 112 A THR CB 4 C4H1b 0.770 1.880 4.236 18.136 14.829 1.223 possible 642 112 A THR OG1 17 O2H1u 0.660 1.460 4.201 27.118 18.123 1.496 possible 643 112 A THR CG2 10 C4H3u 0.770 1.880 3.174 30.611 36.542 0.838 possible 644 113 A TRP N 12 N3H1s 0.700 1.640 2.590 12.355 13.791 0.896 [OK] 645 113 A TRP CA 3 C4H1s 0.770 1.880 3.872 18.512 13.377 1.384 possible 646 113 A TRP C 1 C3H0s 0.770 1.610 2.518 9.454 8.724 1.084 [OK] 647 113 A TRP O 16 O1H0u 0.660 1.420 3.230 23.455 15.951 1.470 possible 648 113 A TRP CB 8 C4H2s 0.770 1.880 2.791 22.464 24.004 0.936 [OK] 649 113 A TRP CG 2 C3H0b 0.770 1.610 2.531 9.513 9.965 0.955 [OK] 650 113 A TRP CD1 5 C3H1s 0.770 1.760 14.769 -1.000 20.874 -1.000 bad 651 113 A TRP CD2 2 C3H0b 0.770 1.610 2.633 10.188 10.097 1.009 [OK] 652 113 A TRP NE1 13 N3H1b 0.700 1.640 23.949 -1.000 16.969 -1.000 bad 653 113 A TRP CE2 2 C3H0b 0.770 1.610 3.474 13.143 9.889 1.329 possible 654 113 A TRP CE3 6 C3H1b 0.770 1.760 3.210 25.001 20.448 1.223 possible 655 113 A TRP CZ2 6 C3H1b 0.770 1.760 29.230 -1.000 21.012 -1.000 bad 656 113 A TRP CZ3 6 C3H1b 0.770 1.760 6.004 44.098 21.516 2.050 possible 657 113 A TRP CH2 6 C3H1b 0.770 1.760 21.740 -1.000 21.339 -1.000 bad 658 114 A PHE N 12 N3H1s 0.700 1.640 2.399 11.747 13.691 0.858 [OK] 659 114 A PHE CA 3 C4H1s 0.770 1.880 2.959 13.532 13.449 1.006 [OK] 660 114 A PHE C 1 C3H0s 0.770 1.610 2.631 9.602 8.753 1.097 [OK] 661 114 A PHE O 16 O1H0u 0.660 1.420 3.866 30.954 16.151 1.917 possible 662 114 A PHE CB 8 C4H2s 0.770 1.880 2.830 19.756 23.777 0.831 [OK] 663 114 A PHE CG 2 C3H0b 0.770 1.610 2.680 9.185 9.721 0.945 [OK] 664 114 A PHE CD1 5 C3H1s 0.770 1.760 2.915 17.714 20.405 0.868 [OK] 665 114 A PHE CD2 6 C3H1b 0.770 1.760 2.840 18.149 21.051 0.862 [OK] 666 114 A PHE CE1 6 C3H1b 0.770 1.760 3.049 19.144 21.580 0.887 possible 667 114 A PHE CE2 6 C3H1b 0.770 1.760 2.965 23.722 21.680 1.094 [OK] 668 114 A PHE CZ 6 C3H1b 0.770 1.760 3.259 22.705 21.666 1.048 possible 669 115 A VAL N 12 N3H1s 0.700 1.640 2.283 11.382 13.676 0.832 [OK] 670 115 A VAL CA 3 C4H1s 0.770 1.880 4.449 18.819 13.123 1.434 possible 671 115 A VAL C 1 C3H0s 0.770 1.610 2.765 8.342 8.563 0.974 [OK] 672 115 A VAL O 16 O1H0u 0.660 1.420 3.366 19.113 16.181 1.181 possible 673 115 A VAL CB 4 C4H1b 0.770 1.880 2.988 13.980 14.598 0.958 [OK] 674 115 A VAL CG1 10 C4H3u 0.770 1.880 4.394 64.378 36.584 1.760 possible 675 115 A VAL CG2 10 C4H3u 0.770 1.880 4.360 48.665 36.332 1.339 possible 676 116 A GLY N 12 N3H1s 0.700 1.640 3.851 15.489 14.854 1.043 possible 677 116 A GLY CA 8 C4H2s 0.770 1.880 7.069 94.865 23.688 4.005 possible 678 116 A GLY C 2 C3H0b 0.770 1.610 3.275 12.336 9.840 1.254 possible 679 116 A GLY O 16 O1H0u 0.660 1.420 16.949 -1.000 16.391 -1.000 bad 680 117 A ARG N 12 N3H1s 0.700 1.640 2.740 12.507 13.650 0.916 [OK] 681 117 A ARG CA 3 C4H1s 0.770 1.880 3.297 15.170 13.422 1.130 possible 682 117 A ARG C 1 C3H0s 0.770 1.610 3.115 11.595 8.838 1.312 possible 683 117 A ARG O 16 O1H0u 0.660 1.420 6.900 85.242 16.084 5.300 possible 684 117 A ARG CB 8 C4H2s 0.770 1.880 4.015 33.741 23.088 1.461 possible 685 117 A ARG CG 8 C4H2s 0.770 1.880 4.044 33.661 23.640 1.424 possible 686 117 A ARG CD 8 C4H2s 0.770 1.880 7.835 79.327 23.300 3.405 possible 687 117 A ARG NE 13 N3H1b 0.700 1.640 47.227 -1.000 15.569 -1.000 bad 688 118 A GLU N 12 N3H1s 0.700 1.640 2.931 13.782 13.615 1.012 [OK] 689 118 A GLU CA 3 C4H1s 0.770 1.880 5.124 26.279 13.399 1.961 possible 690 118 A GLU C 1 C3H0s 0.770 1.610 3.131 9.614 8.675 1.108 possible 691 118 A GLU O 16 O1H0u 0.660 1.420 29.023 -1.000 16.023 -1.000 bad 692 118 A GLU CB 8 C4H2s 0.770 1.880 4.535 43.010 23.529 1.828 possible 693 118 A GLU CG 8 C4H2s 0.770 1.880 4.556 36.366 23.513 1.547 possible 694 118 A GLU CD 2 C3H0b 0.770 1.610 7.918 19.009 9.460 2.009 possible 695 118 A GLU OE1 16 O1H0u 0.660 1.420 7.062 55.321 15.999 3.458 possible 696 118 A GLU OE2 16 O1H0u 0.660 1.420 28.329 -1.000 17.432 -1.000 bad 697 119 A GLN N 12 N3H1s 0.700 1.640 2.878 14.707 13.616 1.080 [OK] 698 119 A GLN CA 3 C4H1s 0.770 1.880 10.982 -1.000 13.334 -1.000 bad 699 119 A GLN C 1 C3H0s 0.770 1.610 3.011 8.635 8.787 0.983 possible 700 119 A GLN O 16 O1H0u 0.660 1.420 44.631 -1.000 15.993 -1.000 bad 701 119 A GLN CB 8 C4H2s 0.770 1.880 29.506 -1.000 23.275 -1.000 bad 702 119 A GLN CG 8 C4H2s 0.770 1.880 18.009 -1.000 23.465 -1.000 bad 703 119 A GLN CD 2 C3H0b 0.770 1.610 6.465 14.095 9.659 1.459 possible 704 119 A GLN OE1 16 O1H0u 0.660 1.420 43.212 -1.000 17.091 -1.000 bad 705 119 A GLN NE2 15 N3H2u 0.700 1.640 22.156 -1.000 24.150 -1.000 bad 706 119 A GLN OXT 16 O1H0u 0.660 1.420 26.823 -1.000 1.420 -1.000 bad 708 23 B ALA N 12 N3H1s 0.700 1.640 43.492 -1.000 14.046 -1.000 bad 709 23 B ALA CA 4 C4H1b 0.770 1.880 18.687 -1.000 14.063 -1.000 bad 710 23 B ALA C 1 C3H0s 0.770 1.610 3.541 12.025 8.900 1.351 possible 711 23 B ALA O 16 O1H0u 0.660 1.420 27.968 -1.000 16.188 -1.000 bad 712 23 B ALA CB 10 C4H3u 0.770 1.880 37.891 -1.000 36.782 -1.000 bad 713 24 B LEU N 12 N3H1s 0.700 1.640 3.583 17.614 13.655 1.290 possible 714 24 B LEU CA 3 C4H1s 0.770 1.880 4.089 17.180 13.122 1.309 possible 715 24 B LEU C 1 C3H0s 0.770 1.610 2.284 8.125 8.825 0.921 [OK] 716 24 B LEU O 16 O1H0u 0.660 1.420 2.472 12.364 16.208 0.763 [OK] 717 24 B LEU CB 8 C4H2s 0.770 1.880 3.687 29.004 22.951 1.264 possible 718 24 B LEU CG 4 C4H1b 0.770 1.880 2.997 14.351 14.764 0.972 [OK] 719 24 B LEU CD1 10 C4H3u 0.770 1.880 42.902 -1.000 37.425 -1.000 bad 720 24 B LEU CD2 10 C4H3u 0.770 1.880 3.707 41.086 37.143 1.106 possible 721 25 B HIS N 12 N3H1s 0.700 1.640 3.552 17.282 13.715 1.260 possible 722 25 B HIS CA 3 C4H1s 0.770 1.880 2.425 11.645 13.467 0.865 [OK] 723 25 B HIS C 1 C3H0s 0.770 1.610 2.284 7.726 8.882 0.870 [OK] 724 25 B HIS O 16 O1H0u 0.660 1.420 2.573 17.268 16.082 1.074 [OK] 725 25 B HIS CB 8 C4H2s 0.770 1.880 3.521 24.830 23.653 1.050 possible 726 25 B HIS CG 2 C3H0b 0.770 1.610 3.114 9.969 9.952 1.002 possible 727 25 B HIS ND1 13 N3H1b 0.700 1.640 2.413 13.775 15.506 0.888 [OK] 728 25 B HIS CD2 5 C3H1s 0.770 1.760 5.356 43.574 21.085 2.067 possible 729 25 B HIS CE1 5 C3H1s 0.770 1.760 3.369 20.054 20.636 0.972 possible 730 25 B HIS NE2 13 N3H1b 0.700 1.640 7.146 66.528 15.337 4.338 possible 731 26 B TRP N 12 N3H1s 0.700 1.640 2.507 12.230 13.791 0.887 [OK] 732 26 B TRP CA 3 C4H1s 0.770 1.880 3.059 12.811 13.377 0.958 possible 733 26 B TRP C 1 C3H0s 0.770 1.610 3.406 10.603 8.724 1.215 possible 734 26 B TRP O 16 O1H0u 0.660 1.420 16.589 -1.000 15.951 -1.000 bad 735 26 B TRP CB 8 C4H2s 0.770 1.880 4.685 33.332 24.004 1.389 possible 736 26 B TRP CG 2 C3H0b 0.770 1.610 3.015 11.548 9.965 1.159 possible 737 26 B TRP CD1 5 C3H1s 0.770 1.760 33.222 -1.000 20.874 -1.000 bad 738 26 B TRP CD2 2 C3H0b 0.770 1.610 4.253 13.163 10.097 1.304 possible 739 26 B TRP NE1 13 N3H1b 0.700 1.640 25.496 -1.000 16.969 -1.000 bad 740 26 B TRP CE2 2 C3H0b 0.770 1.610 5.312 16.916 9.889 1.711 possible 741 26 B TRP CE3 6 C3H1b 0.770 1.760 4.437 21.337 20.448 1.043 possible 742 26 B TRP CZ2 6 C3H1b 0.770 1.760 22.242 -1.000 21.012 -1.000 bad 743 26 B TRP CZ3 6 C3H1b 0.770 1.760 4.585 22.115 21.516 1.028 possible 744 26 B TRP CH2 6 C3H1b 0.770 1.760 5.583 39.487 21.339 1.850 possible 745 27 B ARG N 12 N3H1s 0.700 1.640 3.029 13.800 13.650 1.011 possible 746 27 B ARG CA 3 C4H1s 0.770 1.880 5.614 20.712 13.422 1.543 possible 747 27 B ARG C 1 C3H0s 0.770 1.610 4.127 9.592 8.838 1.085 possible 748 27 B ARG O 16 O1H0u 0.660 1.420 6.811 40.673 16.084 2.529 possible 749 27 B ARG CB 8 C4H2s 0.770 1.880 42.772 -1.000 23.088 -1.000 bad 750 28 B ALA N 12 N3H1s 0.700 1.640 4.353 14.181 14.046 1.010 possible 751 28 B ALA CA 4 C4H1b 0.770 1.880 7.837 42.322 14.063 3.009 possible 752 28 B ALA C 1 C3H0s 0.770 1.610 2.465 9.057 8.900 1.018 [OK] 753 28 B ALA O 16 O1H0u 0.660 1.420 5.030 31.036 16.188 1.917 possible 754 28 B ALA CB 10 C4H3u 0.770 1.880 7.783 76.389 36.782 2.077 possible 755 29 B ALA N 12 N3H1s 0.700 1.640 2.708 16.066 14.046 1.144 [OK] 756 29 B ALA CA 4 C4H1b 0.770 1.880 3.385 15.657 14.063 1.113 possible 757 29 B ALA C 1 C3H0s 0.770 1.610 3.004 9.398 8.900 1.056 possible 758 29 B ALA O 16 O1H0u 0.660 1.420 2.916 15.149 16.188 0.936 [OK] 759 29 B ALA CB 10 C4H3u 0.770 1.880 4.755 51.618 36.782 1.403 possible 760 30 B GLY N 12 N3H1s 0.700 1.640 4.758 26.000 14.854 1.750 possible 761 30 B GLY CA 8 C4H2s 0.770 1.880 35.950 -1.000 23.688 -1.000 bad 762 30 B GLY C 2 C3H0b 0.770 1.610 6.069 16.468 9.840 1.674 possible 763 30 B GLY O 16 O1H0u 0.660 1.420 14.375 -1.000 16.391 -1.000 bad 764 31 B ALA N 12 N3H1s 0.700 1.640 4.480 15.322 14.046 1.091 possible 765 31 B ALA CA 4 C4H1b 0.770 1.880 4.970 17.899 14.063 1.273 possible 766 31 B ALA C 1 C3H0s 0.770 1.610 3.062 9.446 8.900 1.061 possible 767 31 B ALA O 16 O1H0u 0.660 1.420 4.662 21.741 16.188 1.343 possible 768 31 B ALA CB 10 C4H3u 0.770 1.880 49.005 -1.000 36.782 -1.000 bad 769 32 B ALA N 12 N3H1s 0.700 1.640 3.703 15.475 14.046 1.102 possible 770 32 B ALA CA 4 C4H1b 0.770 1.880 3.471 12.014 14.063 0.854 possible 771 32 B ALA C 1 C3H0s 0.770 1.610 2.602 8.219 8.900 0.923 [OK] 772 32 B ALA O 16 O1H0u 0.660 1.420 3.373 14.616 16.188 0.903 possible 773 32 B ALA CB 10 C4H3u 0.770 1.880 4.431 55.754 36.782 1.516 possible 774 33 B THR N 12 N3H1s 0.700 1.640 3.008 14.860 13.832 1.074 possible 775 33 B THR CA 3 C4H1s 0.770 1.880 3.018 16.604 13.099 1.268 possible 776 33 B THR C 1 C3H0s 0.770 1.610 3.042 7.869 8.738 0.901 possible 777 33 B THR O 16 O1H0u 0.660 1.420 3.282 18.675 16.020 1.166 possible 778 33 B THR CB 4 C4H1b 0.770 1.880 7.044 43.255 14.829 2.917 possible 779 33 B THR OG1 17 O2H1u 0.660 1.460 15.586 -1.000 18.123 -1.000 bad 780 33 B THR CG2 10 C4H3u 0.770 1.880 20.554 -1.000 36.542 -1.000 bad 781 34 B VAL N 12 N3H1s 0.700 1.640 3.063 11.850 13.676 0.866 possible 782 34 B VAL CA 3 C4H1s 0.770 1.880 4.430 19.374 13.123 1.476 possible 783 34 B VAL C 1 C3H0s 0.770 1.610 2.893 9.659 8.563 1.128 [OK] 784 34 B VAL O 16 O1H0u 0.660 1.420 4.969 23.325 16.181 1.441 possible 785 34 B VAL CB 4 C4H1b 0.770 1.880 5.576 23.047 14.598 1.579 possible 786 34 B VAL CG1 10 C4H3u 0.770 1.880 49.508 -1.000 36.584 -1.000 bad 787 34 B VAL CG2 10 C4H3u 0.770 1.880 32.661 -1.000 36.332 -1.000 bad 788 35 B LEU N 12 N3H1s 0.700 1.640 2.561 10.381 13.655 0.760 [OK] 789 35 B LEU CA 3 C4H1s 0.770 1.880 3.455 15.362 13.122 1.171 possible 790 35 B LEU C 1 C3H0s 0.770 1.610 3.126 9.450 8.825 1.071 possible 791 35 B LEU O 16 O1H0u 0.660 1.420 4.135 19.492 16.208 1.203 possible 792 35 B LEU CB 8 C4H2s 0.770 1.880 6.287 47.227 22.951 2.058 possible 793 35 B LEU CG 4 C4H1b 0.770 1.880 3.608 14.923 14.764 1.011 possible 794 35 B LEU CD1 10 C4H3u 0.770 1.880 39.862 -1.000 37.425 -1.000 bad 795 35 B LEU CD2 10 C4H3u 0.770 1.880 58.294 -1.000 37.143 -1.000 bad 796 36 B LEU N 12 N3H1s 0.700 1.640 3.878 16.536 13.655 1.211 possible 797 36 B LEU CA 3 C4H1s 0.770 1.880 3.860 15.909 13.122 1.212 possible 798 36 B LEU C 1 C3H0s 0.770 1.610 2.418 7.516 8.825 0.852 [OK] 799 36 B LEU O 16 O1H0u 0.660 1.420 2.421 12.710 16.208 0.784 [OK] 800 36 B LEU CB 8 C4H2s 0.770 1.880 3.303 22.415 22.951 0.977 possible 801 36 B LEU CG 4 C4H1b 0.770 1.880 2.904 13.913 14.764 0.942 [OK] 802 36 B LEU CD1 10 C4H3u 0.770 1.880 3.027 34.084 37.425 0.911 possible 803 36 B LEU CD2 10 C4H3u 0.770 1.880 5.304 77.660 37.143 2.091 possible 804 37 B VAL N 12 N3H1s 0.700 1.640 3.067 15.103 13.676 1.104 possible 805 37 B VAL CA 3 C4H1s 0.770 1.880 3.071 13.490 13.123 1.028 possible 806 37 B VAL C 1 C3H0s 0.770 1.610 2.170 7.148 8.563 0.835 [OK] 807 37 B VAL O 16 O1H0u 0.660 1.420 2.891 16.919 16.181 1.046 [OK] 808 37 B VAL CB 4 C4H1b 0.770 1.880 4.017 17.531 14.598 1.201 possible 809 37 B VAL CG1 10 C4H3u 0.770 1.880 22.643 -1.000 36.584 -1.000 bad 810 37 B VAL CG2 10 C4H3u 0.770 1.880 50.653 -1.000 36.332 -1.000 bad 811 38 B ILE N 12 N3H1s 0.700 1.640 2.441 11.753 13.633 0.862 [OK] 812 38 B ILE CA 3 C4H1s 0.770 1.880 3.970 16.849 13.007 1.295 possible 813 38 B ILE C 1 C3H0s 0.770 1.610 2.355 7.411 8.470 0.875 [OK] 814 38 B ILE O 16 O1H0u 0.660 1.420 4.119 16.330 16.144 1.011 possible 815 38 B ILE CB 4 C4H1b 0.770 1.880 3.612 15.019 14.227 1.056 possible 816 38 B ILE CG1 9 C4H2b 0.770 1.880 28.410 -1.000 24.187 -1.000 bad 817 38 B ILE CG2 10 C4H3u 0.770 1.880 41.149 -1.000 35.961 -1.000 bad 818 38 B ILE CD1 10 C4H3u 0.770 1.880 22.701 -1.000 38.377 -1.000 bad 819 39 B VAL N 12 N3H1s 0.700 1.640 2.790 12.372 13.676 0.905 [OK] 820 39 B VAL CA 3 C4H1s 0.770 1.880 4.007 16.775 13.123 1.278 possible 821 39 B VAL C 1 C3H0s 0.770 1.610 2.405 7.397 8.563 0.864 [OK] 822 39 B VAL O 16 O1H0u 0.660 1.420 3.140 16.213 16.181 1.002 possible 823 39 B VAL CB 4 C4H1b 0.770 1.880 2.816 12.916 14.598 0.885 [OK] 824 39 B VAL CG1 10 C4H3u 0.770 1.880 3.857 39.112 36.584 1.069 possible 825 39 B VAL CG2 10 C4H3u 0.770 1.880 28.081 -1.000 36.332 -1.000 bad 826 40 B LEU N 12 N3H1s 0.700 1.640 2.476 12.588 13.655 0.922 [OK] 827 40 B LEU CA 3 C4H1s 0.770 1.880 2.921 13.318 13.122 1.015 [OK] 828 40 B LEU C 1 C3H0s 0.770 1.610 2.726 8.641 8.825 0.979 [OK] 829 40 B LEU O 16 O1H0u 0.660 1.420 2.573 12.531 16.208 0.773 [OK] 830 40 B LEU CB 8 C4H2s 0.770 1.880 3.606 24.995 22.951 1.089 possible 831 40 B LEU CG 4 C4H1b 0.770 1.880 2.823 13.987 14.764 0.947 [OK] 832 40 B LEU CD1 10 C4H3u 0.770 1.880 5.612 80.783 37.425 2.159 possible 833 40 B LEU CD2 10 C4H3u 0.770 1.880 3.129 34.350 37.143 0.925 possible 834 41 B LEU N 12 N3H1s 0.700 1.640 2.758 12.463 13.655 0.913 [OK] 835 41 B LEU CA 3 C4H1s 0.770 1.880 2.779 13.433 13.122 1.024 [OK] 836 41 B LEU C 1 C3H0s 0.770 1.610 4.143 8.968 8.825 1.016 possible 837 41 B LEU O 16 O1H0u 0.660 1.420 4.320 -1.000 16.208 -1.000 bad 838 41 B LEU CB 8 C4H2s 0.770 1.880 13.911 -1.000 22.951 -1.000 bad 839 41 B LEU CG 4 C4H1b 0.770 1.880 3.624 17.180 14.764 1.164 possible 840 41 B LEU CD1 10 C4H3u 0.770 1.880 61.199 -1.000 37.425 -1.000 bad 841 41 B LEU CD2 10 C4H3u 0.770 1.880 7.973 79.015 37.143 2.127 possible 842 42 B ALA N 12 N3H1s 0.700 1.640 4.543 13.375 14.046 0.952 possible 843 42 B ALA CA 4 C4H1b 0.770 1.880 11.876 -1.000 14.063 -1.000 bad 844 42 B ALA C 1 C3H0s 0.770 1.610 3.767 9.394 8.900 1.056 possible 845 42 B ALA O 16 O1H0u 0.660 1.420 5.211 27.079 16.188 1.673 possible 846 42 B ALA CB 10 C4H3u 0.770 1.880 33.074 -1.000 36.782 -1.000 bad 847 43 B GLY N 12 N3H1s 0.700 1.640 4.089 14.800 14.854 0.996 possible 848 43 B GLY CA 8 C4H2s 0.770 1.880 4.364 34.167 23.688 1.442 possible 849 43 B GLY C 2 C3H0b 0.770 1.610 2.769 10.157 9.840 1.032 [OK] 850 43 B GLY O 16 O1H0u 0.660 1.420 2.485 14.687 16.391 0.896 [OK] 851 44 B SER N 12 N3H1s 0.700 1.640 2.567 12.753 14.103 0.904 [OK] 852 44 B SER CA 3 C4H1s 0.770 1.880 2.933 14.224 13.476 1.056 [OK] 853 44 B SER C 1 C3H0s 0.770 1.610 2.734 8.635 8.923 0.968 [OK] 854 44 B SER O 16 O1H0u 0.660 1.420 2.475 15.627 16.179 0.966 [OK] 855 44 B SER CB 8 C4H2s 0.770 1.880 2.965 20.901 23.884 0.875 [OK] 856 44 B SER OG 17 O2H1u 0.660 1.460 2.992 17.258 18.732 0.921 [OK] 857 45 B TYR N 12 N3H1s 0.700 1.640 2.509 12.580 13.691 0.919 [OK] 858 45 B TYR CA 3 C4H1s 0.770 1.880 2.537 11.552 13.330 0.867 [OK] 859 45 B TYR C 1 C3H0s 0.770 1.610 2.721 10.472 8.770 1.194 [OK] 860 45 B TYR O 16 O1H0u 0.660 1.420 8.214 -1.000 16.124 -1.000 bad 861 45 B TYR CB 8 C4H2s 0.770 1.880 16.258 -1.000 23.678 -1.000 bad 862 45 B TYR CG 2 C3H0b 0.770 1.610 4.893 13.206 9.732 1.357 possible 863 45 B TYR CD1 5 C3H1s 0.770 1.760 3.829 18.828 20.171 0.933 possible 864 45 B TYR CD2 5 C3H1s 0.770 1.760 19.030 -1.000 20.728 -1.000 bad 865 45 B TYR CE1 5 C3H1s 0.770 1.760 3.819 25.154 20.675 1.217 possible 866 45 B TYR CE2 5 C3H1s 0.770 1.760 27.053 -1.000 20.810 -1.000 bad 867 45 B TYR CZ 2 C3H0b 0.770 1.610 4.265 13.916 9.926 1.402 possible 868 45 B TYR OH 17 O2H1u 0.660 1.460 34.007 -1.000 19.173 -1.000 bad 869 46 B LEU N 12 N3H1s 0.700 1.640 2.568 13.117 13.655 0.961 [OK] 870 46 B LEU CA 3 C4H1s 0.770 1.880 2.675 11.884 13.122 0.906 [OK] 871 46 B LEU C 1 C3H0s 0.770 1.610 2.388 8.647 8.825 0.980 [OK] 872 46 B LEU O 16 O1H0u 0.660 1.420 2.988 16.095 16.208 0.993 [OK] 873 46 B LEU CB 8 C4H2s 0.770 1.880 3.338 22.270 22.951 0.970 possible 874 46 B LEU CG 4 C4H1b 0.770 1.880 4.583 18.594 14.764 1.259 possible 875 46 B LEU CD1 10 C4H3u 0.770 1.880 57.675 -1.000 37.425 -1.000 bad 876 46 B LEU CD2 10 C4H3u 0.770 1.880 7.680 96.809 37.143 2.606 possible 877 47 B ALA N 12 N3H1s 0.700 1.640 2.340 12.370 14.046 0.881 [OK] 878 47 B ALA CA 4 C4H1b 0.770 1.880 2.843 15.266 14.063 1.086 [OK] 879 47 B ALA C 1 C3H0s 0.770 1.610 2.708 8.877 8.900 0.997 [OK] 880 47 B ALA O 16 O1H0u 0.660 1.420 2.472 14.634 16.188 0.904 [OK] 881 47 B ALA CB 10 C4H3u 0.770 1.880 3.041 42.050 36.782 1.143 possible 882 48 B VAL N 12 N3H1s 0.700 1.640 2.803 15.406 13.676 1.127 [OK] 883 48 B VAL CA 3 C4H1s 0.770 1.880 2.894 12.549 13.123 0.956 [OK] 884 48 B VAL C 1 C3H0s 0.770 1.610 2.351 7.098 8.563 0.829 [OK] 885 48 B VAL O 16 O1H0u 0.660 1.420 2.484 12.464 16.181 0.770 [OK] 886 48 B VAL CB 4 C4H1b 0.770 1.880 2.853 13.658 14.598 0.936 [OK] 887 48 B VAL CG1 10 C4H3u 0.770 1.880 3.417 36.699 36.584 1.003 possible 888 48 B VAL CG2 10 C4H3u 0.770 1.880 3.044 29.725 36.332 0.818 possible 889 49 B LEU N 12 N3H1s 0.700 1.640 2.808 15.164 13.655 1.111 [OK] 890 49 B LEU CA 3 C4H1s 0.770 1.880 4.873 21.535 13.122 1.641 possible 891 49 B LEU C 1 C3H0s 0.770 1.610 3.003 10.041 8.825 1.138 possible 892 49 B LEU O 16 O1H0u 0.660 1.420 25.942 -1.000 16.208 -1.000 bad 893 49 B LEU CB 8 C4H2s 0.770 1.880 16.768 -1.000 22.951 -1.000 bad 894 49 B LEU CG 4 C4H1b 0.770 1.880 2.831 12.225 14.764 0.828 [OK] 895 49 B LEU CD1 10 C4H3u 0.770 1.880 32.602 -1.000 37.425 -1.000 bad 896 49 B LEU CD2 10 C4H3u 0.770 1.880 28.452 -1.000 37.143 -1.000 bad 897 50 B ALA N 12 N3H1s 0.700 1.640 2.452 11.191 14.046 0.797 [OK] 898 50 B ALA CA 4 C4H1b 0.770 1.880 5.201 22.642 14.063 1.610 possible 899 50 B ALA C 1 C3H0s 0.770 1.610 3.536 11.189 8.900 1.257 possible 900 50 B ALA O 16 O1H0u 0.660 1.420 7.727 47.400 16.188 2.928 possible 901 50 B ALA CB 10 C4H3u 0.770 1.880 4.009 45.660 36.782 1.241 possible 902 51 B GLU N 12 N3H1s 0.700 1.640 2.845 11.378 13.615 0.836 [OK] 903 51 B GLU CA 3 C4H1s 0.770 1.880 3.297 14.409 13.399 1.075 possible 904 51 B GLU C 1 C3H0s 0.770 1.610 2.993 9.795 8.675 1.129 [OK] 905 51 B GLU O 16 O1H0u 0.660 1.420 2.870 20.054 16.023 1.252 [OK] 906 51 B GLU CB 8 C4H2s 0.770 1.880 3.314 24.906 23.529 1.059 possible 907 51 B GLU CG 8 C4H2s 0.770 1.880 3.041 23.496 23.513 0.999 possible 908 51 B GLU CD 2 C3H0b 0.770 1.610 2.924 9.799 9.460 1.036 [OK] 909 51 B GLU OE1 16 O1H0u 0.660 1.420 2.644 18.675 15.999 1.167 [OK] 910 51 B GLU OE2 16 O1H0u 0.660 1.420 2.858 13.529 17.432 0.776 [OK] 911 52 B ARG N 12 N3H1s 0.700 1.640 3.240 14.229 13.650 1.042 possible 912 52 B ARG CA 3 C4H1s 0.770 1.880 2.575 12.164 13.422 0.906 [OK] 913 52 B ARG C 1 C3H0s 0.770 1.610 2.734 8.041 8.838 0.910 [OK] 914 52 B ARG O 16 O1H0u 0.660 1.420 17.074 -1.000 16.084 -1.000 bad 915 52 B ARG CB 8 C4H2s 0.770 1.880 5.649 34.391 23.088 1.490 possible 916 52 B ARG CG 8 C4H2s 0.770 1.880 21.972 -1.000 23.640 -1.000 bad 917 52 B ARG CD 8 C4H2s 0.770 1.880 16.893 -1.000 23.300 -1.000 bad 918 52 B ARG NE 13 N3H1b 0.700 1.640 9.764 -1.000 15.569 -1.000 bad 919 52 B ARG CZ 2 C3H0b 0.770 1.610 1.851 -1.000 9.747 -1.000 bad 920 52 B ARG NH1 15 N3H2u 0.700 1.640 20.822 -1.000 22.782 -1.000 bad 921 52 B ARG NH2 15 N3H2u 0.700 1.640 43.156 -1.000 23.810 -1.000 bad 922 53 B GLY N 12 N3H1s 0.700 1.640 6.428 35.221 14.854 2.371 possible 923 53 B GLY CA 8 C4H2s 0.770 1.880 36.741 -1.000 23.688 -1.000 bad 924 53 B GLY C 2 C3H0b 0.770 1.610 1.878 -1.000 9.840 -1.000 bad 925 53 B GLY O 16 O1H0u 0.660 1.420 31.605 -1.000 16.391 -1.000 bad 926 54 B ALA N 12 N3H1s 0.700 1.640 5.633 -1.000 14.046 -1.000 bad 927 54 B ALA CA 4 C4H1b 0.770 1.880 10.251 -1.000 14.063 -1.000 bad 928 54 B ALA C 1 C3H0s 0.770 1.610 1.944 -1.000 8.900 -1.000 bad 929 54 B ALA O 16 O1H0u 0.660 1.420 12.697 -1.000 16.188 -1.000 bad 930 54 B ALA CB 10 C4H3u 0.770 1.880 21.797 -1.000 36.782 -1.000 bad 931 55 B PRO N 11 N3H0u 0.700 1.640 0.844 -1.000 8.823 -1.000 bad 932 55 B PRO CA 4 C4H1b 0.770 1.880 16.106 -1.000 13.955 -1.000 bad 933 55 B PRO C 1 C3H0s 0.770 1.610 4.472 12.359 8.812 1.403 possible 934 55 B PRO O 16 O1H0u 0.660 1.420 27.235 -1.000 16.169 -1.000 bad 935 55 B PRO CB 9 C4H2b 0.770 1.880 32.451 -1.000 25.563 -1.000 bad 936 55 B PRO CG 9 C4H2b 0.770 1.880 43.797 -1.000 25.832 -1.000 bad 937 55 B PRO CD 8 C4H2s 0.770 1.880 23.775 -1.000 23.836 -1.000 bad 938 56 B GLY N 12 N3H1s 0.700 1.640 3.347 18.774 14.854 1.264 possible 939 56 B GLY CA 8 C4H2s 0.770 1.880 3.567 28.603 23.688 1.207 possible 940 56 B GLY C 2 C3H0b 0.770 1.610 3.713 11.596 9.840 1.178 possible 941 56 B GLY O 16 O1H0u 0.660 1.420 14.393 -1.000 16.391 -1.000 bad 942 57 B ALA N 12 N3H1s 0.700 1.640 4.980 27.914 14.046 1.987 possible 943 57 B ALA CA 4 C4H1b 0.770 1.880 14.271 -1.000 14.063 -1.000 bad 944 57 B ALA C 1 C3H0s 0.770 1.610 4.401 12.285 8.900 1.380 possible 945 57 B ALA O 16 O1H0u 0.660 1.420 3.624 17.328 16.188 1.070 possible 946 57 B ALA CB 10 C4H3u 0.770 1.880 20.273 -1.000 36.782 -1.000 bad 947 58 B GLN N 12 N3H1s 0.700 1.640 5.227 -1.000 13.616 -1.000 bad 948 58 B GLN CA 3 C4H1s 0.770 1.880 6.192 18.872 13.334 1.415 possible 949 58 B GLN C 1 C3H0s 0.770 1.610 2.739 9.136 8.787 1.040 [OK] 950 58 B GLN O 16 O1H0u 0.660 1.420 2.600 15.884 15.993 0.993 [OK] 951 58 B GLN CB 8 C4H2s 0.770 1.880 5.434 33.707 23.275 1.448 possible 952 58 B GLN CG 8 C4H2s 0.770 1.880 7.218 50.447 23.465 2.150 possible 953 58 B GLN CD 2 C3H0b 0.770 1.610 5.522 15.817 9.659 1.638 possible 954 58 B GLN OE1 16 O1H0u 0.660 1.420 41.634 -1.000 17.091 -1.000 bad 955 58 B GLN NE2 15 N3H2u 0.700 1.640 30.521 -1.000 24.150 -1.000 bad 956 59 B LEU N 12 N3H1s 0.700 1.640 2.805 15.332 13.655 1.123 [OK] 957 59 B LEU CA 3 C4H1s 0.770 1.880 3.017 15.261 13.122 1.163 possible 958 59 B LEU C 1 C3H0s 0.770 1.610 2.714 10.095 8.825 1.144 [OK] 959 59 B LEU O 16 O1H0u 0.660 1.420 2.650 16.217 16.208 1.001 [OK] 960 59 B LEU CB 8 C4H2s 0.770 1.880 3.114 22.818 22.951 0.994 possible 961 59 B LEU CG 4 C4H1b 0.770 1.880 3.052 18.021 14.764 1.221 possible 962 59 B LEU CD1 10 C4H3u 0.770 1.880 3.038 33.251 37.425 0.888 possible 963 59 B LEU CD2 10 C4H3u 0.770 1.880 3.139 38.141 37.143 1.027 possible 964 60 B ILE N 12 N3H1s 0.700 1.640 2.434 9.663 13.633 0.709 [OK] 965 60 B ILE CA 3 C4H1s 0.770 1.880 2.682 13.219 13.007 1.016 [OK] 966 60 B ILE C 1 C3H0s 0.770 1.610 2.300 8.239 8.470 0.973 [OK] 967 60 B ILE O 16 O1H0u 0.660 1.420 2.625 15.787 16.144 0.978 [OK] 968 60 B ILE CB 4 C4H1b 0.770 1.880 3.750 17.150 14.227 1.205 possible 969 60 B ILE CG1 9 C4H2b 0.770 1.880 27.911 -1.000 24.187 -1.000 bad 970 60 B ILE CG2 10 C4H3u 0.770 1.880 5.801 49.768 35.961 1.384 possible 971 61 B THR N 12 N3H1s 0.700 1.640 2.540 13.474 13.832 0.974 [OK] 972 61 B THR CA 3 C4H1s 0.770 1.880 2.939 13.735 13.099 1.049 [OK] 973 61 B THR C 1 C3H0s 0.770 1.610 2.213 7.725 8.738 0.884 [OK] 974 61 B THR O 16 O1H0u 0.660 1.420 2.442 13.862 16.020 0.865 [OK] 975 61 B THR CB 4 C4H1b 0.770 1.880 3.412 14.702 14.829 0.991 possible 976 61 B THR OG1 17 O2H1u 0.660 1.460 10.271 -1.000 18.123 -1.000 bad 977 61 B THR CG2 10 C4H3u 0.770 1.880 33.587 -1.000 36.542 -1.000 bad 978 62 B TYR N 12 N3H1s 0.700 1.640 3.367 15.675 13.691 1.145 possible 979 62 B TYR CA 3 C4H1s 0.770 1.880 3.005 13.210 13.330 0.991 possible 980 62 B TYR C 1 C3H0s 0.770 1.610 2.902 8.723 8.770 0.995 [OK] 981 62 B TYR O 16 O1H0u 0.660 1.420 2.757 18.051 16.124 1.120 [OK] 982 62 B TYR CB 8 C4H2s 0.770 1.880 5.238 31.479 23.678 1.329 possible 983 62 B TYR CG 2 C3H0b 0.770 1.610 2.661 9.744 9.732 1.001 [OK] 984 62 B TYR CD1 5 C3H1s 0.770 1.760 2.836 16.904 20.171 0.838 [OK] 985 62 B TYR CD2 5 C3H1s 0.770 1.760 17.233 -1.000 20.728 -1.000 bad 986 62 B TYR CE1 5 C3H1s 0.770 1.760 3.245 20.404 20.675 0.987 possible 987 62 B TYR CE2 5 C3H1s 0.770 1.760 23.835 -1.000 20.810 -1.000 bad 988 62 B TYR CZ 2 C3H0b 0.770 1.610 4.443 13.229 9.926 1.333 possible 989 62 B TYR OH 17 O2H1u 0.660 1.460 25.975 -1.000 19.173 -1.000 bad 990 63 B PRO N 11 N3H0u 0.700 1.640 3.179 9.536 8.823 1.081 possible 991 63 B PRO CA 4 C4H1b 0.770 1.880 4.001 21.077 13.955 1.510 possible 992 63 B PRO C 1 C3H0s 0.770 1.610 3.901 10.544 8.812 1.197 possible 993 63 B PRO O 16 O1H0u 0.660 1.420 5.165 46.942 16.169 2.903 possible 994 63 B PRO CB 9 C4H2b 0.770 1.880 35.254 -1.000 25.563 -1.000 bad 995 63 B PRO CG 9 C4H2b 0.770 1.880 37.828 -1.000 25.832 -1.000 bad 996 63 B PRO CD 8 C4H2s 0.770 1.880 5.853 30.141 23.836 1.265 possible 997 64 B ARG N 12 N3H1s 0.700 1.640 3.497 13.282 13.650 0.973 possible 998 64 B ARG CA 3 C4H1s 0.770 1.880 3.813 19.408 13.422 1.446 possible 999 64 B ARG C 1 C3H0s 0.770 1.610 2.741 9.256 8.838 1.047 [OK] 1000 64 B ARG O 16 O1H0u 0.660 1.420 2.900 19.074 16.084 1.186 [OK] 1001 64 B ARG CB 8 C4H2s 0.770 1.880 4.078 41.631 23.088 1.803 possible 1002 65 B ALA N 12 N3H1s 0.700 1.640 2.678 13.583 14.046 0.967 [OK] 1003 65 B ALA CA 4 C4H1b 0.770 1.880 2.784 13.436 14.063 0.955 [OK] 1004 65 B ALA C 1 C3H0s 0.770 1.610 2.166 8.215 8.900 0.923 [OK] 1005 65 B ALA O 16 O1H0u 0.660 1.420 2.336 13.058 16.188 0.807 [OK] 1006 65 B ALA CB 10 C4H3u 0.770 1.880 3.092 34.509 36.782 0.938 possible 1007 66 B LEU N 12 N3H1s 0.700 1.640 2.587 14.127 13.655 1.035 [OK] 1008 66 B LEU CA 3 C4H1s 0.770 1.880 3.383 12.801 13.122 0.976 possible 1009 66 B LEU C 1 C3H0s 0.770 1.610 2.964 8.736 8.825 0.990 [OK] 1010 66 B LEU O 16 O1H0u 0.660 1.420 3.032 14.504 16.208 0.895 possible 1011 66 B LEU CB 8 C4H2s 0.770 1.880 4.673 32.702 22.951 1.425 possible 1012 66 B LEU CG 4 C4H1b 0.770 1.880 3.179 16.829 14.764 1.140 possible 1013 66 B LEU CD1 10 C4H3u 0.770 1.880 49.882 -1.000 37.425 -1.000 bad 1014 66 B LEU CD2 10 C4H3u 0.770 1.880 3.757 33.165 37.143 0.893 possible 1015 67 B TRP N 12 N3H1s 0.700 1.640 4.609 20.296 13.791 1.472 possible 1016 67 B TRP CA 3 C4H1s 0.770 1.880 4.991 19.212 13.377 1.436 possible 1017 67 B TRP C 1 C3H0s 0.770 1.610 2.460 8.479 8.724 0.972 [OK] 1018 67 B TRP O 16 O1H0u 0.660 1.420 3.050 18.862 15.951 1.183 possible 1019 67 B TRP CB 8 C4H2s 0.770 1.880 4.802 38.731 24.004 1.614 possible 1020 67 B TRP CG 2 C3H0b 0.770 1.610 2.136 8.629 9.965 0.866 [OK] 1021 67 B TRP CD1 5 C3H1s 0.770 1.760 3.261 25.439 20.874 1.219 possible 1022 67 B TRP CD2 2 C3H0b 0.770 1.610 2.695 9.034 10.097 0.895 [OK] 1023 67 B TRP NE1 13 N3H1b 0.700 1.640 3.105 22.502 16.969 1.326 possible 1024 67 B TRP CE2 2 C3H0b 0.770 1.610 2.699 10.760 9.889 1.088 [OK] 1025 67 B TRP CE3 6 C3H1b 0.770 1.760 4.596 29.528 20.448 1.444 possible 1026 67 B TRP CZ2 6 C3H1b 0.770 1.760 2.866 21.794 21.012 1.037 [OK] 1027 67 B TRP CZ3 6 C3H1b 0.770 1.760 3.057 24.859 21.516 1.155 possible 1028 67 B TRP CH2 6 C3H1b 0.770 1.760 3.048 22.033 21.339 1.033 possible 1029 68 B TRP N 12 N3H1s 0.700 1.640 2.657 12.683 13.791 0.920 [OK] 1030 68 B TRP CA 3 C4H1s 0.770 1.880 3.653 18.103 13.377 1.353 possible 1031 68 B TRP C 1 C3H0s 0.770 1.610 2.200 8.001 8.724 0.917 [OK] 1032 68 B TRP O 16 O1H0u 0.660 1.420 2.685 14.117 15.951 0.885 [OK] 1033 68 B TRP CB 8 C4H2s 0.770 1.880 2.894 22.003 24.004 0.917 [OK] 1034 68 B TRP CG 2 C3H0b 0.770 1.610 2.415 8.705 9.965 0.874 [OK] 1035 68 B TRP CD1 5 C3H1s 0.770 1.760 3.554 26.188 20.874 1.255 possible 1036 68 B TRP CD2 2 C3H0b 0.770 1.610 2.652 10.031 10.097 0.993 [OK] 1037 68 B TRP NE1 13 N3H1b 0.700 1.640 2.332 14.207 16.969 0.837 [OK] 1038 68 B TRP CE2 2 C3H0b 0.770 1.610 2.650 9.846 9.889 0.996 [OK] 1039 68 B TRP CE3 6 C3H1b 0.770 1.760 2.793 21.606 20.448 1.057 [OK] 1040 68 B TRP CZ2 6 C3H1b 0.770 1.760 2.736 19.675 21.012 0.936 [OK] 1041 68 B TRP CZ3 6 C3H1b 0.770 1.760 2.992 24.152 21.516 1.123 [OK] 1042 68 B TRP CH2 6 C3H1b 0.770 1.760 2.887 21.489 21.339 1.007 [OK] 1043 69 B SER N 12 N3H1s 0.700 1.640 2.267 10.570 14.103 0.749 [OK] 1044 69 B SER CA 3 C4H1s 0.770 1.880 2.915 14.648 13.476 1.087 [OK] 1045 69 B SER C 1 C3H0s 0.770 1.610 2.173 8.002 8.923 0.897 [OK] 1046 69 B SER O 16 O1H0u 0.660 1.420 2.177 12.985 16.179 0.803 [OK] 1047 69 B SER CB 8 C4H2s 0.770 1.880 3.372 23.570 23.884 0.987 possible 1048 69 B SER OG 17 O2H1u 0.660 1.460 2.684 21.959 18.732 1.172 [OK] 1049 70 B VAL N 12 N3H1s 0.700 1.640 2.589 13.143 13.676 0.961 [OK] 1050 70 B VAL CA 3 C4H1s 0.770 1.880 3.721 15.412 13.123 1.174 possible 1051 70 B VAL C 1 C3H0s 0.770 1.610 2.202 7.664 8.563 0.895 [OK] 1052 70 B VAL O 16 O1H0u 0.660 1.420 3.299 14.345 16.181 0.887 possible 1053 70 B VAL CB 4 C4H1b 0.770 1.880 3.118 15.527 14.598 1.064 possible 1054 70 B VAL CG1 10 C4H3u 0.770 1.880 4.722 50.481 36.584 1.380 possible 1055 70 B VAL CG2 10 C4H3u 0.770 1.880 6.397 80.957 36.332 2.228 possible 1056 71 B GLU N 12 N3H1s 0.700 1.640 3.000 15.311 13.615 1.125 [OK] 1057 71 B GLU CA 3 C4H1s 0.770 1.880 3.228 14.406 13.399 1.075 possible 1058 71 B GLU C 1 C3H0s 0.770 1.610 2.767 8.626 8.675 0.994 [OK] 1059 71 B GLU O 16 O1H0u 0.660 1.420 2.484 15.023 16.023 0.938 [OK] 1060 71 B GLU CB 8 C4H2s 0.770 1.880 3.830 58.408 23.529 2.482 possible 1061 72 B THR N 12 N3H1s 0.700 1.640 3.073 14.061 13.832 1.017 possible 1062 72 B THR CA 3 C4H1s 0.770 1.880 3.166 15.853 13.099 1.210 possible 1063 72 B THR C 1 C3H0s 0.770 1.610 2.418 7.825 8.738 0.896 [OK] 1064 72 B THR O 16 O1H0u 0.660 1.420 2.673 17.061 16.020 1.065 [OK] 1065 72 B THR CB 4 C4H1b 0.770 1.880 2.896 13.910 14.829 0.938 [OK] 1066 72 B THR OG1 17 O2H1u 0.660 1.460 2.920 18.212 18.123 1.005 [OK] 1067 72 B THR CG2 10 C4H3u 0.770 1.880 3.139 35.012 36.542 0.958 possible 1068 73 B ALA N 12 N3H1s 0.700 1.640 2.430 12.285 14.046 0.875 [OK] 1069 73 B ALA CA 4 C4H1b 0.770 1.880 2.822 14.224 14.063 1.011 [OK] 1070 73 B ALA C 1 C3H0s 0.770 1.610 3.093 8.684 8.900 0.976 possible 1071 73 B ALA O 16 O1H0u 0.660 1.420 3.202 23.301 16.188 1.439 possible 1072 73 B ALA CB 10 C4H3u 0.770 1.880 4.183 42.302 36.782 1.150 possible 1073 74 B THR N 12 N3H1s 0.700 1.640 3.220 12.589 13.832 0.910 possible 1074 74 B THR CA 3 C4H1s 0.770 1.880 3.379 16.321 13.099 1.246 possible 1075 74 B THR C 1 C3H0s 0.770 1.610 2.546 7.902 8.738 0.904 [OK] 1076 74 B THR O 16 O1H0u 0.660 1.420 4.018 25.147 16.020 1.570 possible 1077 74 B THR CB 4 C4H1b 0.770 1.880 2.480 11.427 14.829 0.771 [OK] 1078 74 B THR OG1 17 O2H1u 0.660 1.460 4.082 30.535 18.123 1.685 possible 1079 74 B THR CG2 10 C4H3u 0.770 1.880 3.211 30.018 36.542 0.821 possible 1080 75 B THR N 12 N3H1s 0.700 1.640 2.156 10.261 13.832 0.742 [OK] 1081 75 B THR CA 3 C4H1s 0.770 1.880 2.593 12.545 13.099 0.958 [OK] 1082 75 B THR C 1 C3H0s 0.770 1.610 2.303 8.578 8.738 0.982 [OK] 1083 75 B THR O 16 O1H0u 0.660 1.420 2.482 12.359 16.020 0.771 [OK] 1084 75 B THR CB 4 C4H1b 0.770 1.880 2.846 15.258 14.829 1.029 [OK] 1085 75 B THR OG1 17 O2H1u 0.660 1.460 3.968 19.581 18.123 1.080 possible 1086 75 B THR CG2 10 C4H3u 0.770 1.880 5.270 59.389 36.542 1.625 possible 1087 76 B VAL N 12 N3H1s 0.700 1.640 2.414 11.783 13.676 0.862 [OK] 1088 76 B VAL CA 3 C4H1s 0.770 1.880 2.587 12.750 13.123 0.972 [OK] 1089 76 B VAL C 1 C3H0s 0.770 1.610 2.571 9.067 8.563 1.059 [OK] 1090 76 B VAL O 16 O1H0u 0.660 1.420 2.474 13.557 16.181 0.838 [OK] 1091 76 B VAL CB 4 C4H1b 0.770 1.880 3.132 17.824 14.598 1.221 possible 1092 76 B VAL CG1 10 C4H3u 0.770 1.880 3.196 38.769 36.584 1.060 possible 1093 76 B VAL CG2 10 C4H3u 0.770 1.880 2.838 27.389 36.332 0.754 [OK] 1094 77 B GLY N 12 N3H1s 0.700 1.640 2.872 16.738 14.854 1.127 [OK] 1095 77 B GLY CA 8 C4H2s 0.770 1.880 3.315 25.455 23.688 1.075 possible 1096 77 B GLY C 2 C3H0b 0.770 1.610 2.488 8.854 9.840 0.900 [OK] 1097 77 B GLY O 16 O1H0u 0.660 1.420 2.221 13.416 16.391 0.819 [OK] 1098 78 B TYR N 12 N3H1s 0.700 1.640 3.497 21.159 13.691 1.545 possible 1099 78 B TYR CA 3 C4H1s 0.770 1.880 2.701 13.411 13.330 1.006 [OK] 1100 78 B TYR C 1 C3H0s 0.770 1.610 2.413 7.962 8.770 0.908 [OK] 1101 78 B TYR O 16 O1H0u 0.660 1.420 5.617 26.745 16.124 1.659 possible 1102 78 B TYR CB 8 C4H2s 0.770 1.880 3.193 25.370 23.678 1.071 possible 1103 78 B TYR CG 2 C3H0b 0.770 1.610 2.691 10.801 9.732 1.110 [OK] 1104 78 B TYR CD1 5 C3H1s 0.770 1.760 2.811 21.120 20.171 1.047 [OK] 1105 78 B TYR CD2 5 C3H1s 0.770 1.760 2.997 25.093 20.728 1.211 [OK] 1106 78 B TYR CE1 5 C3H1s 0.770 1.760 3.446 26.270 20.675 1.271 possible 1107 78 B TYR CE2 5 C3H1s 0.770 1.760 3.059 24.894 20.810 1.196 possible 1108 78 B TYR CZ 2 C3H0b 0.770 1.610 2.789 10.773 9.926 1.085 [OK] 1109 78 B TYR OH 17 O2H1u 0.660 1.460 2.705 21.494 19.173 1.121 [OK] 1110 79 B GLY N 12 N3H1s 0.700 1.640 3.253 17.839 14.854 1.201 possible 1111 79 B GLY CA 8 C4H2s 0.770 1.880 5.545 29.285 23.688 1.236 possible 1112 79 B GLY C 2 C3H0b 0.770 1.610 4.918 14.724 9.840 1.496 possible 1113 79 B GLY O 16 O1H0u 0.660 1.420 12.435 -1.000 16.391 -1.000 bad 1114 80 B ASP N 12 N3H1s 0.700 1.640 4.820 18.643 13.895 1.342 possible 1115 80 B ASP CA 3 C4H1s 0.770 1.880 5.532 28.798 13.377 2.153 possible 1116 80 B ASP C 1 C3H0s 0.770 1.610 2.640 8.141 8.816 0.923 [OK] 1117 80 B ASP O 16 O1H0u 0.660 1.420 16.746 -1.000 16.091 -1.000 bad 1118 80 B ASP CB 8 C4H2s 0.770 1.880 3.827 25.714 23.481 1.095 possible 1119 80 B ASP CG 2 C3H0b 0.770 1.610 2.717 9.263 9.422 0.983 [OK] 1120 80 B ASP OD1 16 O1H0u 0.660 1.420 3.138 26.563 15.505 1.713 possible 1121 80 B ASP OD2 16 O1H0u 0.660 1.420 4.379 27.276 16.324 1.671 possible 1122 81 B LEU N 12 N3H1s 0.700 1.640 2.723 13.910 13.655 1.019 [OK] 1123 81 B LEU CA 3 C4H1s 0.770 1.880 3.230 14.979 13.122 1.142 possible 1124 81 B LEU C 1 C3H0s 0.770 1.610 2.413 8.486 8.825 0.962 [OK] 1125 81 B LEU O 16 O1H0u 0.660 1.420 3.067 21.976 16.208 1.356 possible 1126 81 B LEU CB 8 C4H2s 0.770 1.880 3.424 26.869 22.951 1.171 possible 1127 81 B LEU CG 4 C4H1b 0.770 1.880 3.337 12.226 14.764 0.828 possible 1128 81 B LEU CD1 10 C4H3u 0.770 1.880 3.891 50.619 37.425 1.353 possible 1129 81 B LEU CD2 10 C4H3u 0.770 1.880 4.671 50.430 37.143 1.358 possible 1130 82 B TYR N 12 N3H1s 0.700 1.640 2.834 16.930 13.691 1.237 [OK] 1131 82 B TYR CA 3 C4H1s 0.770 1.880 2.585 13.036 13.330 0.978 [OK] 1132 82 B TYR C 1 C3H0s 0.770 1.610 2.190 8.125 8.770 0.926 [OK] 1133 82 B TYR O 16 O1H0u 0.660 1.420 2.819 20.422 16.124 1.267 [OK] 1134 82 B TYR CB 8 C4H2s 0.770 1.880 2.849 21.588 23.678 0.912 [OK] 1135 82 B TYR CG 2 C3H0b 0.770 1.610 2.777 10.337 9.732 1.062 [OK] 1136 82 B TYR CD1 5 C3H1s 0.770 1.760 3.096 22.118 20.171 1.097 possible 1137 82 B TYR CD2 5 C3H1s 0.770 1.760 2.958 25.213 20.728 1.216 [OK] 1138 82 B TYR CE1 5 C3H1s 0.770 1.760 5.667 42.063 20.675 2.034 possible 1139 82 B TYR CE2 5 C3H1s 0.770 1.760 4.825 32.302 20.810 1.552 possible 1140 82 B TYR CZ 2 C3H0b 0.770 1.610 3.432 12.175 9.926 1.227 possible 1141 82 B TYR OH 17 O2H1u 0.660 1.460 39.237 -1.000 19.173 -1.000 bad 1142 83 B PRO N 11 N3H0u 0.700 1.640 2.392 7.549 8.823 0.856 [OK] 1143 83 B PRO CA 4 C4H1b 0.770 1.880 2.325 10.764 13.955 0.771 [OK] 1144 83 B PRO C 1 C3H0s 0.770 1.610 2.343 8.816 8.812 1.000 [OK] 1145 83 B PRO O 16 O1H0u 0.660 1.420 2.458 16.865 16.169 1.043 [OK] 1146 83 B PRO CB 9 C4H2b 0.770 1.880 3.041 24.063 25.563 0.941 possible 1147 83 B PRO CG 9 C4H2b 0.770 1.880 2.720 21.411 25.832 0.829 [OK] 1148 83 B PRO CD 8 C4H2s 0.770 1.880 2.809 23.623 23.836 0.991 [OK] 1149 84 B VAL N 12 N3H1s 0.700 1.640 2.444 11.032 13.676 0.807 [OK] 1150 84 B VAL CA 3 C4H1s 0.770 1.880 2.565 12.273 13.123 0.935 [OK] 1151 84 B VAL C 1 C3H0s 0.770 1.610 3.378 9.859 8.563 1.151 possible 1152 84 B VAL O 16 O1H0u 0.660 1.420 17.964 -1.000 16.181 -1.000 bad 1153 84 B VAL CB 4 C4H1b 0.770 1.880 3.887 21.088 14.598 1.445 possible 1154 84 B VAL CG1 10 C4H3u 0.770 1.880 7.456 150.161 36.584 4.105 possible 1155 84 B VAL CG2 10 C4H3u 0.770 1.880 4.859 50.314 36.332 1.385 possible 1156 85 B THR N 12 N3H1s 0.700 1.640 3.376 13.243 13.832 0.957 possible 1157 85 B THR CA 3 C4H1s 0.770 1.880 5.680 22.058 13.099 1.684 possible 1158 85 B THR C 1 C3H0s 0.770 1.610 2.665 8.365 8.738 0.957 [OK] 1159 85 B THR O 16 O1H0u 0.660 1.420 2.272 12.442 16.020 0.777 [OK] 1160 85 B THR CB 4 C4H1b 0.770 1.880 2.621 13.290 14.829 0.896 [OK] 1161 85 B THR OG1 17 O2H1u 0.660 1.460 3.054 19.794 18.123 1.092 possible 1162 85 B THR CG2 10 C4H3u 0.770 1.880 29.579 -1.000 36.542 -1.000 bad 1163 86 B LEU N 12 N3H1s 0.700 1.640 7.951 39.469 13.655 2.890 possible 1164 86 B LEU CA 3 C4H1s 0.770 1.880 3.747 15.676 13.122 1.195 possible 1165 86 B LEU C 1 C3H0s 0.770 1.610 2.311 7.719 8.825 0.875 [OK] 1166 86 B LEU O 16 O1H0u 0.660 1.420 4.069 21.482 16.208 1.325 possible 1167 86 B LEU CB 8 C4H2s 0.770 1.880 16.898 -1.000 22.951 -1.000 bad 1168 86 B LEU CG 4 C4H1b 0.770 1.880 5.249 21.788 14.764 1.476 possible 1169 86 B LEU CD1 10 C4H3u 0.770 1.880 54.890 -1.000 37.425 -1.000 bad 1170 86 B LEU CD2 10 C4H3u 0.770 1.880 48.242 -1.000 37.143 -1.000 bad 1171 87 B TRP N 12 N3H1s 0.700 1.640 3.807 14.875 13.791 1.079 possible 1172 87 B TRP CA 3 C4H1s 0.770 1.880 3.161 13.987 13.377 1.046 possible 1173 87 B TRP C 1 C3H0s 0.770 1.610 2.816 8.649 8.724 0.991 [OK] 1174 87 B TRP O 16 O1H0u 0.660 1.420 3.240 14.186 15.951 0.889 possible 1175 87 B TRP CB 8 C4H2s 0.770 1.880 4.175 33.365 24.004 1.390 possible 1176 87 B TRP CG 2 C3H0b 0.770 1.610 5.734 18.309 9.965 1.837 possible 1177 87 B TRP CD1 5 C3H1s 0.770 1.760 36.540 -1.000 20.874 -1.000 bad 1178 87 B TRP CD2 2 C3H0b 0.770 1.610 7.016 20.762 10.097 2.056 possible 1179 87 B TRP NE1 13 N3H1b 0.700 1.640 30.036 -1.000 16.969 -1.000 bad 1180 87 B TRP CE2 2 C3H0b 0.770 1.610 3.253 -1.000 9.889 -1.000 bad 1181 87 B TRP CE3 6 C3H1b 0.770 1.760 7.013 26.654 20.448 1.304 possible 1182 87 B TRP CZ2 6 C3H1b 0.770 1.760 35.135 -1.000 21.012 -1.000 bad 1183 87 B TRP CZ3 6 C3H1b 0.770 1.760 9.296 -1.000 21.516 -1.000 bad 1184 87 B TRP CH2 6 C3H1b 0.770 1.760 34.436 -1.000 21.339 -1.000 bad 1185 88 B GLY N 12 N3H1s 0.700 1.640 2.738 13.907 14.854 0.936 [OK] 1186 88 B GLY CA 8 C4H2s 0.770 1.880 3.041 27.909 23.688 1.178 possible 1187 88 B GLY C 2 C3H0b 0.770 1.610 2.326 7.858 9.840 0.799 [OK] 1188 88 B GLY O 16 O1H0u 0.660 1.420 2.586 16.780 16.391 1.024 [OK] 1189 89 B ARG N 12 N3H1s 0.700 1.640 2.279 10.958 13.650 0.803 [OK] 1190 89 B ARG CA 3 C4H1s 0.770 1.880 2.512 12.424 13.422 0.926 [OK] 1191 89 B ARG C 1 C3H0s 0.770 1.610 4.085 9.308 8.838 1.053 possible 1192 89 B ARG O 16 O1H0u 0.660 1.420 3.903 18.025 16.084 1.121 possible 1193 89 B ARG CB 8 C4H2s 0.770 1.880 5.375 36.286 23.088 1.572 possible 1194 89 B ARG CG 8 C4H2s 0.770 1.880 3.192 22.951 23.640 0.971 possible 1195 89 B ARG CD 8 C4H2s 0.770 1.880 3.978 28.410 23.300 1.219 possible 1196 89 B ARG NE 13 N3H1b 0.700 1.640 2.688 14.310 15.569 0.919 [OK] 1197 89 B ARG CZ 2 C3H0b 0.770 1.610 2.627 9.318 9.747 0.956 [OK] 1198 89 B ARG NH1 15 N3H2u 0.700 1.640 5.691 68.495 22.782 3.007 possible 1199 89 B ARG NH2 15 N3H2u 0.700 1.640 4.669 42.708 23.810 1.794 possible 1200 90 B CYS N 12 N3H1s 0.700 1.640 4.040 13.772 13.981 0.985 possible 1201 90 B CYS CA 3 C4H1s 0.770 1.880 4.343 19.265 13.656 1.411 possible 1202 90 B CYS C 1 C3H0s 0.770 1.610 3.156 8.959 8.897 1.007 possible 1203 90 B CYS O 16 O1H0u 0.660 1.420 3.341 16.089 16.543 0.973 possible 1204 90 B CYS CB 9 C4H2b 0.770 1.880 7.308 56.008 23.536 2.380 possible 1205 90 B CYS SG 20 S2H1u 1.040 1.770 50.910 -1.000 34.603 -1.000 bad 1206 91 B VAL N 12 N3H1s 0.700 1.640 4.016 15.334 13.676 1.121 possible 1207 91 B VAL CA 3 C4H1s 0.770 1.880 4.015 18.656 13.123 1.422 possible 1208 91 B VAL C 1 C3H0s 0.770 1.610 2.196 7.873 8.563 0.919 [OK] 1209 91 B VAL O 16 O1H0u 0.660 1.420 2.835 15.871 16.181 0.981 [OK] 1210 91 B VAL CB 4 C4H1b 0.770 1.880 2.762 14.834 14.598 1.016 [OK] 1211 91 B VAL CG1 10 C4H3u 0.770 1.880 4.354 40.591 36.584 1.110 possible 1212 91 B VAL CG2 10 C4H3u 0.770 1.880 5.373 55.979 36.332 1.541 possible 1213 92 B ALA N 12 N3H1s 0.700 1.640 2.378 12.409 14.046 0.883 [OK] 1214 92 B ALA CA 4 C4H1b 0.770 1.880 2.574 12.251 14.063 0.871 [OK] 1215 92 B ALA C 1 C3H0s 0.770 1.610 2.399 8.419 8.900 0.946 [OK] 1216 92 B ALA O 16 O1H0u 0.660 1.420 2.256 11.925 16.188 0.737 [OK] 1217 92 B ALA CB 10 C4H3u 0.770 1.880 3.112 34.057 36.782 0.926 possible 1218 93 B VAL N 12 N3H1s 0.700 1.640 2.938 13.599 13.676 0.994 [OK] 1219 93 B VAL CA 3 C4H1s 0.770 1.880 3.613 14.987 13.123 1.142 possible 1220 93 B VAL C 1 C3H0s 0.770 1.610 2.289 6.913 8.563 0.807 [OK] 1221 93 B VAL O 16 O1H0u 0.660 1.420 3.347 14.261 16.181 0.881 possible 1222 93 B VAL CB 4 C4H1b 0.770 1.880 3.865 15.824 14.598 1.084 possible 1223 93 B VAL CG1 10 C4H3u 0.770 1.880 33.095 -1.000 36.584 -1.000 bad 1224 93 B VAL CG2 10 C4H3u 0.770 1.880 6.929 81.102 36.332 2.232 possible 1225 94 B VAL N 12 N3H1s 0.700 1.640 2.636 12.993 13.676 0.950 [OK] 1226 94 B VAL CA 3 C4H1s 0.770 1.880 3.692 16.896 13.123 1.288 possible 1227 94 B VAL C 1 C3H0s 0.770 1.610 2.248 6.998 8.563 0.817 [OK] 1228 94 B VAL O 16 O1H0u 0.660 1.420 3.090 15.538 16.181 0.960 possible 1229 94 B VAL CB 4 C4H1b 0.770 1.880 3.881 15.462 14.598 1.059 possible 1230 94 B VAL CG1 10 C4H3u 0.770 1.880 27.766 -1.000 36.584 -1.000 bad 1231 94 B VAL CG2 10 C4H3u 0.770 1.880 50.268 -1.000 36.332 -1.000 bad 1232 95 B VAL N 12 N3H1s 0.700 1.640 3.034 12.460 13.676 0.911 possible 1233 95 B VAL CA 3 C4H1s 0.770 1.880 2.770 12.774 13.123 0.973 [OK] 1234 95 B VAL C 1 C3H0s 0.770 1.610 2.176 8.158 8.563 0.953 [OK] 1235 95 B VAL O 16 O1H0u 0.660 1.420 2.601 17.228 16.181 1.065 [OK] 1236 95 B VAL CB 4 C4H1b 0.770 1.880 3.306 19.217 14.598 1.316 possible 1237 95 B VAL CG1 10 C4H3u 0.770 1.880 2.933 27.272 36.584 0.745 [OK] 1238 95 B VAL CG2 10 C4H3u 0.770 1.880 3.081 35.421 36.332 0.975 possible 1239 96 B MET N 12 N3H1s 0.700 1.640 2.204 10.644 13.564 0.785 [OK] 1240 96 B MET CA 3 C4H1s 0.770 1.880 3.029 14.102 13.231 1.066 possible 1241 96 B MET C 1 C3H0s 0.770 1.610 2.529 8.721 8.782 0.993 [OK] 1242 96 B MET O 16 O1H0u 0.660 1.420 2.636 16.320 16.277 1.003 [OK] 1243 96 B MET CB 8 C4H2s 0.770 1.880 3.712 23.715 23.645 1.003 possible 1244 96 B MET CG 9 C4H2b 0.770 1.880 3.098 23.263 24.009 0.969 possible 1245 96 B MET SD 19 S2H0u 1.040 1.770 3.269 35.177 30.093 1.169 possible 1246 96 B MET CE 10 C4H3u 0.770 1.880 3.239 35.090 37.161 0.944 possible 1247 97 B VAL N 12 N3H1s 0.700 1.640 2.979 12.935 13.676 0.946 [OK] 1248 97 B VAL CA 3 C4H1s 0.770 1.880 3.075 14.410 13.123 1.098 possible 1249 97 B VAL C 1 C3H0s 0.770 1.610 2.599 7.460 8.563 0.871 [OK] 1250 97 B VAL O 16 O1H0u 0.660 1.420 2.653 13.241 16.181 0.818 [OK] 1251 97 B VAL CB 4 C4H1b 0.770 1.880 6.801 27.657 14.598 1.895 possible 1252 97 B VAL CG1 10 C4H3u 0.770 1.880 25.133 -1.000 36.584 -1.000 bad 1253 97 B VAL CG2 10 C4H3u 0.770 1.880 32.286 -1.000 36.332 -1.000 bad 1254 98 B ALA N 12 N3H1s 0.700 1.640 2.736 12.275 14.046 0.874 [OK] 1255 98 B ALA CA 4 C4H1b 0.770 1.880 5.559 28.984 14.063 2.061 possible 1256 98 B ALA C 1 C3H0s 0.770 1.610 2.099 7.213 8.900 0.810 [OK] 1257 98 B ALA O 16 O1H0u 0.660 1.420 3.709 16.600 16.188 1.025 possible 1258 98 B ALA CB 10 C4H3u 0.770 1.880 4.636 41.967 36.782 1.141 possible 1259 99 B GLY N 12 N3H1s 0.700 1.640 2.528 13.176 14.854 0.887 [OK] 1260 99 B GLY CA 8 C4H2s 0.770 1.880 3.235 25.447 23.688 1.074 possible 1261 99 B GLY C 2 C3H0b 0.770 1.610 3.133 10.357 9.840 1.053 possible 1262 99 B GLY O 16 O1H0u 0.660 1.420 3.425 17.694 16.391 1.079 possible 1263 100 B ILE N 12 N3H1s 0.700 1.640 3.136 14.005 13.633 1.027 possible 1264 100 B ILE CA 3 C4H1s 0.770 1.880 4.664 23.172 13.007 1.781 possible 1265 100 B ILE C 1 C3H0s 0.770 1.610 3.029 8.473 8.470 1.000 possible 1266 100 B ILE O 16 O1H0u 0.660 1.420 5.258 37.985 16.144 2.353 possible 1267 100 B ILE CB 4 C4H1b 0.770 1.880 3.139 14.914 14.227 1.048 possible 1268 100 B ILE CG1 9 C4H2b 0.770 1.880 3.771 26.721 24.187 1.105 possible 1269 100 B ILE CG2 10 C4H3u 0.770 1.880 25.626 -1.000 35.961 -1.000 bad 1270 100 B ILE CD1 10 C4H3u 0.770 1.880 3.728 37.750 38.377 0.984 possible 1271 101 B THR N 12 N3H1s 0.700 1.640 2.900 12.544 13.832 0.907 [OK] 1272 101 B THR CA 3 C4H1s 0.770 1.880 3.800 17.733 13.099 1.354 possible 1273 101 B THR C 1 C3H0s 0.770 1.610 2.404 7.735 8.738 0.885 [OK] 1274 101 B THR O 16 O1H0u 0.660 1.420 3.182 16.457 16.020 1.027 possible 1275 101 B THR CB 4 C4H1b 0.770 1.880 3.179 14.272 14.829 0.962 possible 1276 101 B THR OG1 17 O2H1u 0.660 1.460 15.789 -1.000 18.123 -1.000 bad 1277 101 B THR CG2 10 C4H3u 0.770 1.880 34.329 -1.000 36.542 -1.000 bad 1278 102 B SER N 12 N3H1s 0.700 1.640 3.002 12.470 14.103 0.884 possible 1279 102 B SER CA 3 C4H1s 0.770 1.880 3.989 19.858 13.476 1.474 possible 1280 102 B SER C 1 C3H0s 0.770 1.610 2.372 7.414 8.923 0.831 [OK] 1281 102 B SER O 16 O1H0u 0.660 1.420 2.967 23.311 16.179 1.441 [OK] 1282 102 B SER CB 8 C4H2s 0.770 1.880 4.237 30.965 23.884 1.296 possible 1283 102 B SER OG 17 O2H1u 0.660 1.460 3.374 27.259 18.732 1.455 possible 1284 103 B PHE N 12 N3H1s 0.700 1.640 2.476 12.676 13.691 0.926 [OK] 1285 103 B PHE CA 3 C4H1s 0.770 1.880 3.056 13.520 13.449 1.005 possible 1286 103 B PHE C 1 C3H0s 0.770 1.610 4.148 9.539 8.753 1.090 possible 1287 103 B PHE O 16 O1H0u 0.660 1.420 3.920 23.791 16.151 1.473 possible 1288 103 B PHE CB 8 C4H2s 0.770 1.880 4.899 35.979 23.777 1.513 possible 1289 103 B PHE CG 2 C3H0b 0.770 1.610 2.875 9.769 9.721 1.005 [OK] 1290 103 B PHE CD1 5 C3H1s 0.770 1.760 3.799 29.473 20.405 1.444 possible 1291 103 B PHE CD2 6 C3H1b 0.770 1.760 3.820 27.945 21.051 1.328 possible 1292 103 B PHE CE1 6 C3H1b 0.770 1.760 5.341 47.242 21.580 2.189 possible 1293 103 B PHE CE2 6 C3H1b 0.770 1.760 4.406 33.997 21.680 1.568 possible 1294 103 B PHE CZ 6 C3H1b 0.770 1.760 5.059 44.461 21.666 2.052 possible 1295 104 B GLY N 12 N3H1s 0.700 1.640 4.506 15.271 14.854 1.028 possible 1296 104 B GLY CA 8 C4H2s 0.770 1.880 5.498 40.480 23.688 1.709 possible 1297 104 B GLY C 2 C3H0b 0.770 1.610 2.987 10.447 9.840 1.062 [OK] 1298 104 B GLY O 16 O1H0u 0.660 1.420 2.689 16.298 16.391 0.994 [OK] 1299 105 B LEU N 12 N3H1s 0.700 1.640 3.008 15.862 13.655 1.162 possible 1300 105 B LEU CA 3 C4H1s 0.770 1.880 2.943 14.321 13.122 1.091 [OK] 1301 105 B LEU C 1 C3H0s 0.770 1.610 2.555 8.137 8.825 0.922 [OK] 1302 105 B LEU O 16 O1H0u 0.660 1.420 2.506 13.125 16.208 0.810 [OK] 1303 105 B LEU CB 8 C4H2s 0.770 1.880 3.258 25.290 22.951 1.102 possible 1304 105 B LEU CG 4 C4H1b 0.770 1.880 3.171 15.398 14.764 1.043 possible 1305 105 B LEU CD1 10 C4H3u 0.770 1.880 7.897 84.653 37.425 2.262 possible 1306 105 B LEU CD2 10 C4H3u 0.770 1.880 6.065 56.745 37.143 1.528 possible 1307 106 B VAL N 12 N3H1s 0.700 1.640 2.726 14.109 13.676 1.032 [OK] 1308 106 B VAL CA 3 C4H1s 0.770 1.880 3.260 14.316 13.123 1.091 possible 1309 106 B VAL C 1 C3H0s 0.770 1.610 2.904 7.989 8.563 0.933 [OK] 1310 106 B VAL O 16 O1H0u 0.660 1.420 3.050 15.119 16.181 0.934 possible 1311 106 B VAL CB 4 C4H1b 0.770 1.880 3.567 16.056 14.598 1.100 possible 1312 106 B VAL CG1 10 C4H3u 0.770 1.880 27.783 -1.000 36.584 -1.000 bad 1313 106 B VAL CG2 10 C4H3u 0.770 1.880 5.255 59.796 36.332 1.646 possible 1314 107 B THR N 12 N3H1s 0.700 1.640 3.281 13.632 13.832 0.986 possible 1315 107 B THR CA 3 C4H1s 0.770 1.880 3.535 16.799 13.099 1.282 possible 1316 107 B THR C 1 C3H0s 0.770 1.610 2.255 7.379 8.738 0.844 [OK] 1317 107 B THR O 16 O1H0u 0.660 1.420 2.796 15.850 16.020 0.989 [OK] 1318 107 B THR CB 4 C4H1b 0.770 1.880 3.789 15.624 14.829 1.054 possible 1319 107 B THR OG1 17 O2H1u 0.660 1.460 5.957 54.794 18.123 3.023 possible 1320 107 B THR CG2 10 C4H3u 0.770 1.880 4.669 48.488 36.542 1.327 possible 1321 108 B ALA N 12 N3H1s 0.700 1.640 2.776 11.654 14.046 0.830 [OK] 1322 108 B ALA CA 4 C4H1b 0.770 1.880 3.071 16.273 14.063 1.157 possible 1323 108 B ALA C 1 C3H0s 0.770 1.610 2.515 8.116 8.900 0.912 [OK] 1324 108 B ALA O 16 O1H0u 0.660 1.420 2.428 13.386 16.188 0.827 [OK] 1325 108 B ALA CB 10 C4H3u 0.770 1.880 3.204 36.712 36.782 0.998 possible 1326 109 B ALA N 12 N3H1s 0.700 1.640 2.397 12.027 14.046 0.856 [OK] 1327 109 B ALA CA 4 C4H1b 0.770 1.880 2.611 14.018 14.063 0.997 [OK] 1328 109 B ALA C 1 C3H0s 0.770 1.610 2.175 7.502 8.900 0.843 [OK] 1329 109 B ALA O 16 O1H0u 0.660 1.420 2.151 13.900 16.188 0.859 [OK] 1330 109 B ALA CB 10 C4H3u 0.770 1.880 3.813 33.584 36.782 0.913 possible 1331 110 B LEU N 12 N3H1s 0.700 1.640 2.143 11.832 13.655 0.867 [OK] 1332 110 B LEU CA 3 C4H1s 0.770 1.880 2.955 14.349 13.122 1.093 [OK] 1333 110 B LEU C 1 C3H0s 0.770 1.610 2.134 8.093 8.825 0.917 [OK] 1334 110 B LEU O 16 O1H0u 0.660 1.420 2.714 18.240 16.208 1.125 [OK] 1335 110 B LEU CB 8 C4H2s 0.770 1.880 3.282 25.458 22.951 1.109 possible 1336 110 B LEU CG 4 C4H1b 0.770 1.880 4.600 23.157 14.764 1.568 possible 1337 110 B LEU CD1 10 C4H3u 0.770 1.880 6.678 56.237 37.425 1.503 possible 1338 110 B LEU CD2 10 C4H3u 0.770 1.880 5.791 58.269 37.143 1.569 possible 1339 111 B ALA N 12 N3H1s 0.700 1.640 2.384 11.366 14.046 0.809 [OK] 1340 111 B ALA CA 4 C4H1b 0.770 1.880 2.819 14.073 14.063 1.001 [OK] 1341 111 B ALA C 1 C3H0s 0.770 1.610 3.240 9.046 8.900 1.016 possible 1342 111 B ALA O 16 O1H0u 0.660 1.420 3.726 21.919 16.188 1.354 possible 1343 111 B ALA CB 10 C4H3u 0.770 1.880 4.359 48.214 36.782 1.311 possible 1344 112 B THR N 12 N3H1s 0.700 1.640 3.103 12.168 13.832 0.880 possible 1345 112 B THR CA 3 C4H1s 0.770 1.880 3.133 14.664 13.099 1.119 possible 1346 112 B THR C 1 C3H0s 0.770 1.610 2.532 7.927 8.738 0.907 [OK] 1347 112 B THR O 16 O1H0u 0.660 1.420 3.907 18.925 16.020 1.181 possible 1348 112 B THR CB 4 C4H1b 0.770 1.880 4.281 18.357 14.829 1.238 possible 1349 112 B THR OG1 17 O2H1u 0.660 1.460 4.229 27.160 18.123 1.499 possible 1350 112 B THR CG2 10 C4H3u 0.770 1.880 3.177 30.984 36.542 0.848 possible 1351 113 B TRP N 12 N3H1s 0.700 1.640 2.606 12.352 13.791 0.896 [OK] 1352 113 B TRP CA 3 C4H1s 0.770 1.880 3.871 18.528 13.377 1.385 possible 1353 113 B TRP C 1 C3H0s 0.770 1.610 2.517 9.467 8.724 1.085 [OK] 1354 113 B TRP O 16 O1H0u 0.660 1.420 3.232 22.703 15.951 1.423 possible 1355 113 B TRP CB 8 C4H2s 0.770 1.880 2.792 22.449 24.004 0.935 [OK] 1356 113 B TRP CG 2 C3H0b 0.770 1.610 2.531 9.484 9.965 0.952 [OK] 1357 113 B TRP CD1 5 C3H1s 0.770 1.760 14.668 -1.000 20.874 -1.000 bad 1358 113 B TRP CD2 2 C3H0b 0.770 1.610 2.634 10.137 10.097 1.004 [OK] 1359 113 B TRP NE1 13 N3H1b 0.700 1.640 25.555 -1.000 16.969 -1.000 bad 1360 113 B TRP CE2 2 C3H0b 0.770 1.610 3.476 12.913 9.889 1.306 possible 1361 113 B TRP CE3 6 C3H1b 0.770 1.760 3.210 24.865 20.448 1.216 possible 1362 113 B TRP CZ2 6 C3H1b 0.770 1.760 28.103 -1.000 21.012 -1.000 bad 1363 113 B TRP CZ3 6 C3H1b 0.770 1.760 5.968 42.751 21.516 1.987 possible 1364 113 B TRP CH2 6 C3H1b 0.770 1.760 21.002 -1.000 21.339 -1.000 bad 1365 114 B PHE N 12 N3H1s 0.700 1.640 2.398 11.746 13.691 0.858 [OK] 1366 114 B PHE CA 3 C4H1s 0.770 1.880 2.898 13.225 13.449 0.983 [OK] 1367 114 B PHE C 1 C3H0s 0.770 1.610 2.632 9.615 8.753 1.099 [OK] 1368 114 B PHE O 16 O1H0u 0.660 1.420 3.895 30.586 16.151 1.894 possible 1369 114 B PHE CB 8 C4H2s 0.770 1.880 2.819 19.576 23.777 0.823 [OK] 1370 114 B PHE CG 2 C3H0b 0.770 1.610 2.681 8.986 9.721 0.924 [OK] 1371 114 B PHE CD1 5 C3H1s 0.770 1.760 2.914 16.939 20.405 0.830 [OK] 1372 114 B PHE CD2 6 C3H1b 0.770 1.760 2.842 18.150 21.051 0.862 [OK] 1373 114 B PHE CE1 6 C3H1b 0.770 1.760 3.050 18.511 21.580 0.858 possible 1374 114 B PHE CE2 6 C3H1b 0.770 1.760 2.954 23.433 21.680 1.081 [OK] 1375 114 B PHE CZ 6 C3H1b 0.770 1.760 3.204 21.391 21.666 0.987 possible 1376 115 B VAL N 12 N3H1s 0.700 1.640 2.277 11.379 13.676 0.832 [OK] 1377 115 B VAL CA 3 C4H1s 0.770 1.880 4.467 18.899 13.123 1.440 possible 1378 115 B VAL C 1 C3H0s 0.770 1.610 2.771 8.325 8.563 0.972 [OK] 1379 115 B VAL O 16 O1H0u 0.660 1.420 3.377 19.114 16.181 1.181 possible 1380 115 B VAL CB 4 C4H1b 0.770 1.880 2.999 14.017 14.598 0.960 [OK] 1381 115 B VAL CG1 10 C4H3u 0.770 1.880 4.408 64.441 36.584 1.761 possible 1382 115 B VAL CG2 10 C4H3u 0.770 1.880 4.349 48.363 36.332 1.331 possible 1383 116 B GLY N 12 N3H1s 0.700 1.640 3.861 15.478 14.854 1.042 possible 1384 116 B GLY CA 8 C4H2s 0.770 1.880 7.133 95.333 23.688 4.025 possible 1385 116 B GLY C 2 C3H0b 0.770 1.610 3.262 12.371 9.840 1.257 possible 1386 116 B GLY O 16 O1H0u 0.660 1.420 17.076 -1.000 16.391 -1.000 bad 1387 117 B ARG N 12 N3H1s 0.700 1.640 2.741 12.541 13.650 0.919 [OK] 1388 117 B ARG CA 3 C4H1s 0.770 1.880 3.310 15.275 13.422 1.138 possible 1389 117 B ARG C 1 C3H0s 0.770 1.610 3.113 11.590 8.838 1.311 possible 1390 117 B ARG O 16 O1H0u 0.660 1.420 6.902 83.996 16.084 5.222 possible 1391 117 B ARG CB 8 C4H2s 0.770 1.880 3.912 33.018 23.088 1.430 possible 1392 117 B ARG CG 8 C4H2s 0.770 1.880 4.044 32.599 23.640 1.379 possible 1393 117 B ARG CD 8 C4H2s 0.770 1.880 7.758 76.661 23.300 3.290 possible 1394 117 B ARG NE 13 N3H1b 0.700 1.640 47.738 -1.000 15.569 -1.000 bad 1395 118 B GLU N 12 N3H1s 0.700 1.640 2.924 13.764 13.615 1.011 [OK] 1396 118 B GLU CA 3 C4H1s 0.770 1.880 5.212 26.668 13.399 1.990 possible 1397 118 B GLU C 1 C3H0s 0.770 1.610 3.133 9.638 8.675 1.111 possible 1398 118 B GLU O 16 O1H0u 0.660 1.420 31.177 -1.000 16.023 -1.000 bad 1399 118 B GLU CB 8 C4H2s 0.770 1.880 4.611 44.553 23.529 1.894 possible 1400 118 B GLU CG 8 C4H2s 0.770 1.880 4.567 36.374 23.513 1.547 possible 1401 118 B GLU CD 2 C3H0b 0.770 1.610 3.879 -1.000 9.460 -1.000 bad 1402 118 B GLU OE1 16 O1H0u 0.660 1.420 7.404 56.628 15.999 3.539 possible 1403 118 B GLU OE2 16 O1H0u 0.660 1.420 28.670 -1.000 17.432 -1.000 bad 1404 119 B GLN N 12 N3H1s 0.700 1.640 2.864 14.742 13.616 1.083 [OK] 1405 119 B GLN CA 3 C4H1s 0.770 1.880 9.305 -1.000 13.334 -1.000 bad 1406 119 B GLN C 1 C3H0s 0.770 1.610 3.022 8.638 8.787 0.983 possible 1407 119 B GLN O 16 O1H0u 0.660 1.420 44.370 -1.000 15.993 -1.000 bad 1408 119 B GLN CB 8 C4H2s 0.770 1.880 28.630 -1.000 23.275 -1.000 bad 1409 119 B GLN CG 8 C4H2s 0.770 1.880 18.591 -1.000 23.465 -1.000 bad 1410 119 B GLN CD 2 C3H0b 0.770 1.610 7.056 14.747 9.659 1.527 possible 1411 119 B GLN OE1 16 O1H0u 0.660 1.420 40.941 -1.000 17.091 -1.000 bad 1412 119 B GLN NE2 15 N3H2u 0.700 1.640 22.558 -1.000 24.150 -1.000 bad 1413 119 B GLN OXT 16 O1H0u 0.660 1.420 26.342 -1.000 1.420 -1.000 bad 1415 23 C ALA N 12 N3H1s 0.700 1.640 43.309 -1.000 14.046 -1.000 bad 1416 23 C ALA CA 4 C4H1b 0.770 1.880 19.033 -1.000 14.063 -1.000 bad 1417 23 C ALA C 1 C3H0s 0.770 1.610 3.410 11.793 8.900 1.325 possible 1418 23 C ALA O 16 O1H0u 0.660 1.420 25.975 -1.000 16.188 -1.000 bad 1419 23 C ALA CB 10 C4H3u 0.770 1.880 36.844 -1.000 36.782 -1.000 bad 1420 24 C LEU N 12 N3H1s 0.700 1.640 3.484 17.440 13.655 1.277 possible 1421 24 C LEU CA 3 C4H1s 0.770 1.880 4.096 17.183 13.122 1.309 possible 1422 24 C LEU C 1 C3H0s 0.770 1.610 2.212 8.074 8.825 0.915 [OK] 1423 24 C LEU O 16 O1H0u 0.660 1.420 2.415 12.207 16.208 0.753 [OK] 1424 24 C LEU CB 8 C4H2s 0.770 1.880 3.513 27.322 22.951 1.190 possible 1425 24 C LEU CG 4 C4H1b 0.770 1.880 2.912 14.099 14.764 0.955 [OK] 1426 24 C LEU CD1 10 C4H3u 0.770 1.880 39.575 -1.000 37.425 -1.000 bad 1427 24 C LEU CD2 10 C4H3u 0.770 1.880 3.734 38.149 37.143 1.027 possible 1428 25 C HIS N 12 N3H1s 0.700 1.640 3.455 17.009 13.715 1.240 possible 1429 25 C HIS CA 3 C4H1s 0.770 1.880 2.319 10.936 13.467 0.812 [OK] 1430 25 C HIS C 1 C3H0s 0.770 1.610 2.221 7.753 8.882 0.873 [OK] 1431 25 C HIS O 16 O1H0u 0.660 1.420 2.576 16.765 16.082 1.042 [OK] 1432 25 C HIS CB 8 C4H2s 0.770 1.880 3.438 22.948 23.653 0.970 possible 1433 25 C HIS CG 2 C3H0b 0.770 1.610 3.036 9.879 9.952 0.993 possible 1434 25 C HIS ND1 13 N3H1b 0.700 1.640 2.415 13.822 15.506 0.891 [OK] 1435 25 C HIS CD2 5 C3H1s 0.770 1.760 5.203 42.220 21.085 2.002 possible 1436 25 C HIS CE1 5 C3H1s 0.770 1.760 3.380 20.112 20.636 0.975 possible 1437 25 C HIS NE2 13 N3H1b 0.700 1.640 7.157 66.403 15.337 4.330 possible 1438 26 C TRP N 12 N3H1s 0.700 1.640 2.502 12.229 13.791 0.887 [OK] 1439 26 C TRP CA 3 C4H1s 0.770 1.880 3.056 12.774 13.377 0.955 possible 1440 26 C TRP C 1 C3H0s 0.770 1.610 3.408 10.618 8.724 1.217 possible 1441 26 C TRP O 16 O1H0u 0.660 1.420 16.607 -1.000 15.951 -1.000 bad 1442 26 C TRP CB 8 C4H2s 0.770 1.880 4.683 33.207 24.004 1.383 possible 1443 26 C TRP CG 2 C3H0b 0.770 1.610 3.007 11.513 9.965 1.155 possible 1444 26 C TRP CD1 5 C3H1s 0.770 1.760 31.060 -1.000 20.874 -1.000 bad 1445 26 C TRP CD2 2 C3H0b 0.770 1.610 4.253 13.164 10.097 1.304 possible 1446 26 C TRP NE1 13 N3H1b 0.700 1.640 25.328 -1.000 16.969 -1.000 bad 1447 26 C TRP CE2 2 C3H0b 0.770 1.610 5.315 16.936 9.889 1.713 possible 1448 26 C TRP CE3 6 C3H1b 0.770 1.760 4.437 21.365 20.448 1.045 possible 1449 26 C TRP CZ2 6 C3H1b 0.770 1.760 22.070 -1.000 21.012 -1.000 bad 1450 26 C TRP CZ3 6 C3H1b 0.770 1.760 4.583 22.158 21.516 1.030 possible 1451 26 C TRP CH2 6 C3H1b 0.770 1.760 5.605 39.557 21.339 1.854 possible 1452 27 C ARG N 12 N3H1s 0.700 1.640 3.026 13.793 13.650 1.010 possible 1453 27 C ARG CA 3 C4H1s 0.770 1.880 5.615 20.679 13.422 1.541 possible 1454 27 C ARG C 1 C3H0s 0.770 1.610 4.112 9.559 8.838 1.082 possible 1455 27 C ARG O 16 O1H0u 0.660 1.420 6.807 40.707 16.084 2.531 possible 1456 27 C ARG CB 8 C4H2s 0.770 1.880 42.645 -1.000 23.088 -1.000 bad 1457 28 C ALA N 12 N3H1s 0.700 1.640 4.345 14.151 14.046 1.008 possible 1458 28 C ALA CA 4 C4H1b 0.770 1.880 7.845 42.266 14.063 3.005 possible 1459 28 C ALA C 1 C3H0s 0.770 1.610 2.412 9.077 8.900 1.020 [OK] 1460 28 C ALA O 16 O1H0u 0.660 1.420 4.944 31.141 16.188 1.924 possible 1461 28 C ALA CB 10 C4H3u 0.770 1.880 7.802 71.292 36.782 1.938 possible 1462 29 C ALA N 12 N3H1s 0.700 1.640 2.654 15.934 14.046 1.134 [OK] 1463 29 C ALA CA 4 C4H1b 0.770 1.880 3.383 15.673 14.063 1.114 possible 1464 29 C ALA C 1 C3H0s 0.770 1.610 3.006 9.384 8.900 1.054 possible 1465 29 C ALA O 16 O1H0u 0.660 1.420 2.914 15.168 16.188 0.937 [OK] 1466 29 C ALA CB 10 C4H3u 0.770 1.880 4.757 51.478 36.782 1.400 possible 1467 30 C GLY N 12 N3H1s 0.700 1.640 4.760 25.994 14.854 1.750 possible 1468 30 C GLY CA 8 C4H2s 0.770 1.880 35.730 -1.000 23.688 -1.000 bad 1469 30 C GLY C 2 C3H0b 0.770 1.610 6.082 16.472 9.840 1.674 possible 1470 30 C GLY O 16 O1H0u 0.660 1.420 14.460 -1.000 16.391 -1.000 bad 1471 31 C ALA N 12 N3H1s 0.700 1.640 4.476 15.329 14.046 1.091 possible 1472 31 C ALA CA 4 C4H1b 0.770 1.880 4.966 17.879 14.063 1.271 possible 1473 31 C ALA C 1 C3H0s 0.770 1.610 3.061 9.419 8.900 1.058 possible 1474 31 C ALA O 16 O1H0u 0.660 1.420 4.661 21.742 16.188 1.343 possible 1475 31 C ALA CB 10 C4H3u 0.770 1.880 49.466 -1.000 36.782 -1.000 bad 1476 32 C ALA N 12 N3H1s 0.700 1.640 3.701 15.476 14.046 1.102 possible 1477 32 C ALA CA 4 C4H1b 0.770 1.880 3.472 12.032 14.063 0.856 possible 1478 32 C ALA C 1 C3H0s 0.770 1.610 2.602 8.233 8.900 0.925 [OK] 1479 32 C ALA O 16 O1H0u 0.660 1.420 3.372 14.605 16.188 0.902 possible 1480 32 C ALA CB 10 C4H3u 0.770 1.880 4.432 55.792 36.782 1.517 possible 1481 33 C THR N 12 N3H1s 0.700 1.640 3.011 14.892 13.832 1.077 possible 1482 33 C THR CA 3 C4H1s 0.770 1.880 3.017 16.635 13.099 1.270 possible 1483 33 C THR C 1 C3H0s 0.770 1.610 3.048 7.882 8.738 0.902 possible 1484 33 C THR O 16 O1H0u 0.660 1.420 3.277 18.638 16.020 1.163 possible 1485 33 C THR CB 4 C4H1b 0.770 1.880 7.050 43.220 14.829 2.915 possible 1486 33 C THR OG1 17 O2H1u 0.660 1.460 15.527 -1.000 18.123 -1.000 bad 1487 33 C THR CG2 10 C4H3u 0.770 1.880 20.611 -1.000 36.542 -1.000 bad 1488 34 C VAL N 12 N3H1s 0.700 1.640 3.067 11.866 13.676 0.868 possible 1489 34 C VAL CA 3 C4H1s 0.770 1.880 4.431 19.380 13.123 1.477 possible 1490 34 C VAL C 1 C3H0s 0.770 1.610 2.892 9.650 8.563 1.127 [OK] 1491 34 C VAL O 16 O1H0u 0.660 1.420 4.973 23.355 16.181 1.443 possible 1492 34 C VAL CB 4 C4H1b 0.770 1.880 5.570 23.019 14.598 1.577 possible 1493 34 C VAL CG1 10 C4H3u 0.770 1.880 49.276 -1.000 36.584 -1.000 bad 1494 34 C VAL CG2 10 C4H3u 0.770 1.880 32.357 -1.000 36.332 -1.000 bad 1495 35 C LEU N 12 N3H1s 0.700 1.640 2.556 10.363 13.655 0.759 [OK] 1496 35 C LEU CA 3 C4H1s 0.770 1.880 3.455 15.340 13.122 1.169 possible 1497 35 C LEU C 1 C3H0s 0.770 1.610 3.130 9.422 8.825 1.068 possible 1498 35 C LEU O 16 O1H0u 0.660 1.420 4.146 19.589 16.208 1.209 possible 1499 35 C LEU CB 8 C4H2s 0.770 1.880 6.292 47.193 22.951 2.056 possible 1500 35 C LEU CG 4 C4H1b 0.770 1.880 3.607 14.895 14.764 1.009 possible 1501 35 C LEU CD1 10 C4H3u 0.770 1.880 40.099 -1.000 37.425 -1.000 bad 1502 35 C LEU CD2 10 C4H3u 0.770 1.880 58.813 -1.000 37.143 -1.000 bad 1503 36 C LEU N 12 N3H1s 0.700 1.640 3.878 16.509 13.655 1.209 possible 1504 36 C LEU CA 3 C4H1s 0.770 1.880 3.861 15.895 13.122 1.211 possible 1505 36 C LEU C 1 C3H0s 0.770 1.610 2.414 7.549 8.825 0.855 [OK] 1506 36 C LEU O 16 O1H0u 0.660 1.420 2.421 12.678 16.208 0.782 [OK] 1507 36 C LEU CB 8 C4H2s 0.770 1.880 3.306 22.430 22.951 0.977 possible 1508 36 C LEU CG 4 C4H1b 0.770 1.880 2.900 13.909 14.764 0.942 [OK] 1509 36 C LEU CD1 10 C4H3u 0.770 1.880 3.027 34.076 37.425 0.911 possible 1510 36 C LEU CD2 10 C4H3u 0.770 1.880 5.265 77.674 37.143 2.091 possible 1511 37 C VAL N 12 N3H1s 0.700 1.640 3.064 15.111 13.676 1.105 possible 1512 37 C VAL CA 3 C4H1s 0.770 1.880 3.067 13.473 13.123 1.027 possible 1513 37 C VAL C 1 C3H0s 0.770 1.610 2.177 7.150 8.563 0.835 [OK] 1514 37 C VAL O 16 O1H0u 0.660 1.420 2.882 16.854 16.181 1.042 [OK] 1515 37 C VAL CB 4 C4H1b 0.770 1.880 4.011 17.479 14.598 1.197 possible 1516 37 C VAL CG1 10 C4H3u 0.770 1.880 22.864 -1.000 36.584 -1.000 bad 1517 37 C VAL CG2 10 C4H3u 0.770 1.880 51.280 -1.000 36.332 -1.000 bad 1518 38 C ILE N 12 N3H1s 0.700 1.640 2.443 11.791 13.633 0.865 [OK] 1519 38 C ILE CA 3 C4H1s 0.770 1.880 3.967 16.877 13.007 1.298 possible 1520 38 C ILE C 1 C3H0s 0.770 1.610 2.354 7.392 8.470 0.873 [OK] 1521 38 C ILE O 16 O1H0u 0.660 1.420 4.105 16.256 16.144 1.007 possible 1522 38 C ILE CB 4 C4H1b 0.770 1.880 3.612 15.066 14.227 1.059 possible 1523 38 C ILE CG1 9 C4H2b 0.770 1.880 29.936 -1.000 24.187 -1.000 bad 1524 38 C ILE CG2 10 C4H3u 0.770 1.880 43.071 -1.000 35.961 -1.000 bad 1525 38 C ILE CD1 10 C4H3u 0.770 1.880 22.439 -1.000 38.377 -1.000 bad 1526 39 C VAL N 12 N3H1s 0.700 1.640 2.789 12.364 13.676 0.904 [OK] 1527 39 C VAL CA 3 C4H1s 0.770 1.880 4.007 16.715 13.123 1.274 possible 1528 39 C VAL C 1 C3H0s 0.770 1.610 2.406 7.369 8.563 0.861 [OK] 1529 39 C VAL O 16 O1H0u 0.660 1.420 3.142 16.217 16.181 1.002 possible 1530 39 C VAL CB 4 C4H1b 0.770 1.880 2.815 12.869 14.598 0.882 [OK] 1531 39 C VAL CG1 10 C4H3u 0.770 1.880 3.863 39.170 36.584 1.071 possible 1532 39 C VAL CG2 10 C4H3u 0.770 1.880 28.000 -1.000 36.332 -1.000 bad 1533 40 C LEU N 12 N3H1s 0.700 1.640 2.477 12.536 13.655 0.918 [OK] 1534 40 C LEU CA 3 C4H1s 0.770 1.880 2.923 13.318 13.122 1.015 [OK] 1535 40 C LEU C 1 C3H0s 0.770 1.610 2.728 8.669 8.825 0.982 [OK] 1536 40 C LEU O 16 O1H0u 0.660 1.420 2.574 12.517 16.208 0.772 [OK] 1537 40 C LEU CB 8 C4H2s 0.770 1.880 3.609 24.951 22.951 1.087 possible 1538 40 C LEU CG 4 C4H1b 0.770 1.880 2.823 13.974 14.764 0.946 [OK] 1539 40 C LEU CD1 10 C4H3u 0.770 1.880 5.619 80.886 37.425 2.161 possible 1540 40 C LEU CD2 10 C4H3u 0.770 1.880 3.126 34.317 37.143 0.924 possible 1541 41 C LEU N 12 N3H1s 0.700 1.640 2.760 12.435 13.655 0.911 [OK] 1542 41 C LEU CA 3 C4H1s 0.770 1.880 2.780 13.438 13.122 1.024 [OK] 1543 41 C LEU C 1 C3H0s 0.770 1.610 4.135 8.946 8.825 1.014 possible 1544 41 C LEU O 16 O1H0u 0.660 1.420 4.159 -1.000 16.208 -1.000 bad 1545 41 C LEU CB 8 C4H2s 0.770 1.880 14.000 -1.000 22.951 -1.000 bad 1546 41 C LEU CG 4 C4H1b 0.770 1.880 3.634 17.263 14.764 1.169 possible 1547 41 C LEU CD1 10 C4H3u 0.770 1.880 61.982 -1.000 37.425 -1.000 bad 1548 41 C LEU CD2 10 C4H3u 0.770 1.880 17.891 -1.000 37.143 -1.000 bad 1549 42 C ALA N 12 N3H1s 0.700 1.640 4.527 13.326 14.046 0.949 possible 1550 42 C ALA CA 4 C4H1b 0.770 1.880 12.084 -1.000 14.063 -1.000 bad 1551 42 C ALA C 1 C3H0s 0.770 1.610 3.763 9.374 8.900 1.053 possible 1552 42 C ALA O 16 O1H0u 0.660 1.420 5.206 27.054 16.188 1.671 possible 1553 42 C ALA CB 10 C4H3u 0.770 1.880 33.261 -1.000 36.782 -1.000 bad 1554 43 C GLY N 12 N3H1s 0.700 1.640 4.089 14.776 14.854 0.995 possible 1555 43 C GLY CA 8 C4H2s 0.770 1.880 4.364 34.167 23.688 1.442 possible 1556 43 C GLY C 2 C3H0b 0.770 1.610 2.766 10.156 9.840 1.032 [OK] 1557 43 C GLY O 16 O1H0u 0.660 1.420 2.484 14.700 16.391 0.897 [OK] 1558 44 C SER N 12 N3H1s 0.700 1.640 2.569 12.713 14.103 0.901 [OK] 1559 44 C SER CA 3 C4H1s 0.770 1.880 2.934 14.202 13.476 1.054 [OK] 1560 44 C SER C 1 C3H0s 0.770 1.610 2.734 8.652 8.923 0.970 [OK] 1561 44 C SER O 16 O1H0u 0.660 1.420 2.474 15.654 16.179 0.968 [OK] 1562 44 C SER CB 8 C4H2s 0.770 1.880 2.966 20.896 23.884 0.875 [OK] 1563 44 C SER OG 17 O2H1u 0.660 1.460 2.998 17.263 18.732 0.922 [OK] 1564 45 C TYR N 12 N3H1s 0.700 1.640 2.508 12.564 13.691 0.918 [OK] 1565 45 C TYR CA 3 C4H1s 0.770 1.880 2.543 11.557 13.330 0.867 [OK] 1566 45 C TYR C 1 C3H0s 0.770 1.610 2.719 10.485 8.770 1.196 [OK] 1567 45 C TYR O 16 O1H0u 0.660 1.420 8.975 -1.000 16.124 -1.000 bad 1568 45 C TYR CB 8 C4H2s 0.770 1.880 16.535 -1.000 23.678 -1.000 bad 1569 45 C TYR CG 2 C3H0b 0.770 1.610 4.905 13.224 9.732 1.359 possible 1570 45 C TYR CD1 5 C3H1s 0.770 1.760 3.829 18.852 20.171 0.935 possible 1571 45 C TYR CD2 5 C3H1s 0.770 1.760 18.581 -1.000 20.728 -1.000 bad 1572 45 C TYR CE1 5 C3H1s 0.770 1.760 3.816 25.172 20.675 1.218 possible 1573 45 C TYR CE2 5 C3H1s 0.770 1.760 26.665 -1.000 20.810 -1.000 bad 1574 45 C TYR CZ 2 C3H0b 0.770 1.610 4.267 13.934 9.926 1.404 possible 1575 45 C TYR OH 17 O2H1u 0.660 1.460 34.647 -1.000 19.173 -1.000 bad 1576 46 C LEU N 12 N3H1s 0.700 1.640 2.574 13.128 13.655 0.961 [OK] 1577 46 C LEU CA 3 C4H1s 0.770 1.880 2.676 11.918 13.122 0.908 [OK] 1578 46 C LEU C 1 C3H0s 0.770 1.610 2.392 8.672 8.825 0.983 [OK] 1579 46 C LEU O 16 O1H0u 0.660 1.420 2.994 16.179 16.208 0.998 [OK] 1580 46 C LEU CB 8 C4H2s 0.770 1.880 3.337 22.293 22.951 0.971 possible 1581 46 C LEU CG 4 C4H1b 0.770 1.880 4.591 18.642 14.764 1.263 possible 1582 46 C LEU CD1 10 C4H3u 0.770 1.880 57.707 -1.000 37.425 -1.000 bad 1583 46 C LEU CD2 10 C4H3u 0.770 1.880 7.690 97.155 37.143 2.616 possible 1584 47 C ALA N 12 N3H1s 0.700 1.640 2.341 12.367 14.046 0.880 [OK] 1585 47 C ALA CA 4 C4H1b 0.770 1.880 2.842 15.267 14.063 1.086 [OK] 1586 47 C ALA C 1 C3H0s 0.770 1.610 2.705 8.924 8.900 1.003 [OK] 1587 47 C ALA O 16 O1H0u 0.660 1.420 2.468 14.605 16.188 0.902 [OK] 1588 47 C ALA CB 10 C4H3u 0.770 1.880 3.042 42.026 36.782 1.143 possible 1589 48 C VAL N 12 N3H1s 0.700 1.640 2.803 15.452 13.676 1.130 [OK] 1590 48 C VAL CA 3 C4H1s 0.770 1.880 2.881 12.481 13.123 0.951 [OK] 1591 48 C VAL C 1 C3H0s 0.770 1.610 2.354 7.109 8.563 0.830 [OK] 1592 48 C VAL O 16 O1H0u 0.660 1.420 2.478 12.404 16.181 0.767 [OK] 1593 48 C VAL CB 4 C4H1b 0.770 1.880 2.859 13.615 14.598 0.933 [OK] 1594 48 C VAL CG1 10 C4H3u 0.770 1.880 3.418 36.621 36.584 1.001 possible 1595 48 C VAL CG2 10 C4H3u 0.770 1.880 3.044 29.665 36.332 0.817 possible 1596 49 C LEU N 12 N3H1s 0.700 1.640 2.819 15.251 13.655 1.117 [OK] 1597 49 C LEU CA 3 C4H1s 0.770 1.880 4.874 21.543 13.122 1.642 possible 1598 49 C LEU C 1 C3H0s 0.770 1.610 3.001 10.053 8.825 1.139 possible 1599 49 C LEU O 16 O1H0u 0.660 1.420 26.102 -1.000 16.208 -1.000 bad 1600 49 C LEU CB 8 C4H2s 0.770 1.880 16.810 -1.000 22.951 -1.000 bad 1601 49 C LEU CG 4 C4H1b 0.770 1.880 2.833 12.273 14.764 0.831 [OK] 1602 49 C LEU CD1 10 C4H3u 0.770 1.880 32.402 -1.000 37.425 -1.000 bad 1603 49 C LEU CD2 10 C4H3u 0.770 1.880 28.668 -1.000 37.143 -1.000 bad 1604 50 C ALA N 12 N3H1s 0.700 1.640 2.452 11.169 14.046 0.795 [OK] 1605 50 C ALA CA 4 C4H1b 0.770 1.880 5.202 22.630 14.063 1.609 possible 1606 50 C ALA C 1 C3H0s 0.770 1.610 3.530 11.157 8.900 1.254 possible 1607 50 C ALA O 16 O1H0u 0.660 1.420 7.737 47.418 16.188 2.929 possible 1608 50 C ALA CB 10 C4H3u 0.770 1.880 4.010 45.678 36.782 1.242 possible 1609 51 C GLU N 12 N3H1s 0.700 1.640 2.837 11.319 13.615 0.831 [OK] 1610 51 C GLU CA 3 C4H1s 0.770 1.880 3.297 14.373 13.399 1.073 possible 1611 51 C GLU C 1 C3H0s 0.770 1.610 2.988 9.792 8.675 1.129 [OK] 1612 51 C GLU O 16 O1H0u 0.660 1.420 2.867 20.082 16.023 1.253 [OK] 1613 51 C GLU CB 8 C4H2s 0.770 1.880 3.313 24.988 23.529 1.062 possible 1614 51 C GLU CG 8 C4H2s 0.770 1.880 3.042 23.565 23.513 1.002 possible 1615 51 C GLU CD 2 C3H0b 0.770 1.610 2.932 9.842 9.460 1.040 [OK] 1616 51 C GLU OE1 16 O1H0u 0.660 1.420 2.648 18.714 15.999 1.170 [OK] 1617 51 C GLU OE2 16 O1H0u 0.660 1.420 2.855 13.495 17.432 0.774 [OK] 1618 52 C ARG N 12 N3H1s 0.700 1.640 3.236 14.236 13.650 1.043 possible 1619 52 C ARG CA 3 C4H1s 0.770 1.880 2.572 12.174 13.422 0.907 [OK] 1620 52 C ARG C 1 C3H0s 0.770 1.610 2.735 8.055 8.838 0.911 [OK] 1621 52 C ARG O 16 O1H0u 0.660 1.420 16.969 -1.000 16.084 -1.000 bad 1622 52 C ARG CB 8 C4H2s 0.770 1.880 5.651 34.422 23.088 1.491 possible 1623 52 C ARG CG 8 C4H2s 0.770 1.880 22.438 -1.000 23.640 -1.000 bad 1624 52 C ARG CD 8 C4H2s 0.770 1.880 17.018 -1.000 23.300 -1.000 bad 1625 52 C ARG NE 13 N3H1b 0.700 1.640 10.350 -1.000 15.569 -1.000 bad 1626 52 C ARG CZ 2 C3H0b 0.770 1.610 1.853 -1.000 9.747 -1.000 bad 1627 52 C ARG NH1 15 N3H2u 0.700 1.640 20.489 -1.000 22.782 -1.000 bad 1628 52 C ARG NH2 15 N3H2u 0.700 1.640 43.172 -1.000 23.810 -1.000 bad 1629 53 C GLY N 12 N3H1s 0.700 1.640 6.423 35.150 14.854 2.366 possible 1630 53 C GLY CA 8 C4H2s 0.770 1.880 35.823 -1.000 23.688 -1.000 bad 1631 53 C GLY C 2 C3H0b 0.770 1.610 2.117 -1.000 9.840 -1.000 bad 1632 53 C GLY O 16 O1H0u 0.660 1.420 29.572 -1.000 16.391 -1.000 bad 1633 54 C ALA N 12 N3H1s 0.700 1.640 5.556 -1.000 14.046 -1.000 bad 1634 54 C ALA CA 4 C4H1b 0.770 1.880 9.338 -1.000 14.063 -1.000 bad 1635 54 C ALA C 1 C3H0s 0.770 1.610 1.607 -1.000 8.900 -1.000 bad 1636 54 C ALA O 16 O1H0u 0.660 1.420 12.801 -1.000 16.188 -1.000 bad 1637 54 C ALA CB 10 C4H3u 0.770 1.880 22.151 -1.000 36.782 -1.000 bad 1638 55 C PRO N 11 N3H0u 0.700 1.640 0.525 -1.000 8.823 -1.000 bad 1639 55 C PRO CA 4 C4H1b 0.770 1.880 15.416 -1.000 13.955 -1.000 bad 1640 55 C PRO C 1 C3H0s 0.770 1.610 4.466 12.334 8.812 1.400 possible 1641 55 C PRO O 16 O1H0u 0.660 1.420 27.590 -1.000 16.169 -1.000 bad 1642 55 C PRO CB 9 C4H2b 0.770 1.880 33.802 -1.000 25.563 -1.000 bad 1643 55 C PRO CG 9 C4H2b 0.770 1.880 43.669 -1.000 25.832 -1.000 bad 1644 55 C PRO CD 8 C4H2s 0.770 1.880 23.537 -1.000 23.836 -1.000 bad 1645 56 C GLY N 12 N3H1s 0.700 1.640 3.352 18.802 14.854 1.266 possible 1646 56 C GLY CA 8 C4H2s 0.770 1.880 3.567 28.655 23.688 1.210 possible 1647 56 C GLY C 2 C3H0b 0.770 1.610 3.705 11.585 9.840 1.177 possible 1648 56 C GLY O 16 O1H0u 0.660 1.420 14.476 -1.000 16.391 -1.000 bad 1649 57 C ALA N 12 N3H1s 0.700 1.640 4.970 27.834 14.046 1.982 possible 1650 57 C ALA CA 4 C4H1b 0.770 1.880 14.754 -1.000 14.063 -1.000 bad 1651 57 C ALA C 1 C3H0s 0.770 1.610 4.398 12.288 8.900 1.381 possible 1652 57 C ALA O 16 O1H0u 0.660 1.420 3.637 17.393 16.188 1.074 possible 1653 57 C ALA CB 10 C4H3u 0.770 1.880 19.826 -1.000 36.782 -1.000 bad 1654 58 C GLN N 12 N3H1s 0.700 1.640 5.318 -1.000 13.616 -1.000 bad 1655 58 C GLN CA 3 C4H1s 0.770 1.880 6.159 18.797 13.334 1.410 possible 1656 58 C GLN C 1 C3H0s 0.770 1.610 2.735 9.122 8.787 1.038 [OK] 1657 58 C GLN O 16 O1H0u 0.660 1.420 2.596 15.886 15.993 0.993 [OK] 1658 58 C GLN CB 8 C4H2s 0.770 1.880 5.427 33.526 23.275 1.440 possible 1659 58 C GLN CG 8 C4H2s 0.770 1.880 7.208 50.428 23.465 2.149 possible 1660 58 C GLN CD 2 C3H0b 0.770 1.610 5.516 15.869 9.659 1.643 possible 1661 58 C GLN OE1 16 O1H0u 0.660 1.420 41.420 -1.000 17.091 -1.000 bad 1662 58 C GLN NE2 15 N3H2u 0.700 1.640 29.159 -1.000 24.150 -1.000 bad 1663 59 C LEU N 12 N3H1s 0.700 1.640 2.802 15.388 13.655 1.127 [OK] 1664 59 C LEU CA 3 C4H1s 0.770 1.880 3.013 15.252 13.122 1.162 possible 1665 59 C LEU C 1 C3H0s 0.770 1.610 2.710 10.109 8.825 1.145 [OK] 1666 59 C LEU O 16 O1H0u 0.660 1.420 2.650 16.207 16.208 1.000 [OK] 1667 59 C LEU CB 8 C4H2s 0.770 1.880 3.115 22.878 22.951 0.997 possible 1668 59 C LEU CG 4 C4H1b 0.770 1.880 3.049 17.948 14.764 1.216 possible 1669 59 C LEU CD1 10 C4H3u 0.770 1.880 3.039 33.215 37.425 0.887 possible 1670 59 C LEU CD2 10 C4H3u 0.770 1.880 3.141 38.064 37.143 1.025 possible 1671 60 C ILE N 12 N3H1s 0.700 1.640 2.430 9.684 13.633 0.710 [OK] 1672 60 C ILE CA 3 C4H1s 0.770 1.880 2.678 13.210 13.007 1.016 [OK] 1673 60 C ILE C 1 C3H0s 0.770 1.610 2.299 8.212 8.470 0.970 [OK] 1674 60 C ILE O 16 O1H0u 0.660 1.420 2.623 15.756 16.144 0.976 [OK] 1675 60 C ILE CB 4 C4H1b 0.770 1.880 3.745 17.140 14.227 1.205 possible 1676 60 C ILE CG1 9 C4H2b 0.770 1.880 27.944 -1.000 24.187 -1.000 bad 1677 60 C ILE CG2 10 C4H3u 0.770 1.880 5.803 49.873 35.961 1.387 possible 1678 61 C THR N 12 N3H1s 0.700 1.640 2.535 13.435 13.832 0.971 [OK] 1679 61 C THR CA 3 C4H1s 0.770 1.880 2.942 13.741 13.099 1.049 [OK] 1680 61 C THR C 1 C3H0s 0.770 1.610 2.213 7.704 8.738 0.882 [OK] 1681 61 C THR O 16 O1H0u 0.660 1.420 2.439 13.863 16.020 0.865 [OK] 1682 61 C THR CB 4 C4H1b 0.770 1.880 3.407 14.715 14.829 0.992 possible 1683 61 C THR OG1 17 O2H1u 0.660 1.460 9.660 -1.000 18.123 -1.000 bad 1684 61 C THR CG2 10 C4H3u 0.770 1.880 33.324 -1.000 36.542 -1.000 bad 1685 62 C TYR N 12 N3H1s 0.700 1.640 3.371 15.678 13.691 1.145 possible 1686 62 C TYR CA 3 C4H1s 0.770 1.880 3.006 13.240 13.330 0.993 possible 1687 62 C TYR C 1 C3H0s 0.770 1.610 2.907 8.754 8.770 0.998 [OK] 1688 62 C TYR O 16 O1H0u 0.660 1.420 2.760 18.069 16.124 1.121 [OK] 1689 62 C TYR CB 8 C4H2s 0.770 1.880 5.241 31.550 23.678 1.332 possible 1690 62 C TYR CG 2 C3H0b 0.770 1.610 2.662 9.741 9.732 1.001 [OK] 1691 62 C TYR CD1 5 C3H1s 0.770 1.760 2.837 16.936 20.171 0.840 [OK] 1692 62 C TYR CD2 5 C3H1s 0.770 1.760 17.047 -1.000 20.728 -1.000 bad 1693 62 C TYR CE1 5 C3H1s 0.770 1.760 3.240 20.416 20.675 0.987 possible 1694 62 C TYR CE2 5 C3H1s 0.770 1.760 24.314 -1.000 20.810 -1.000 bad 1695 62 C TYR CZ 2 C3H0b 0.770 1.610 4.439 13.222 9.926 1.332 possible 1696 62 C TYR OH 17 O2H1u 0.660 1.460 25.921 -1.000 19.173 -1.000 bad 1697 63 C PRO N 11 N3H0u 0.700 1.640 3.184 9.543 8.823 1.082 possible 1698 63 C PRO CA 4 C4H1b 0.770 1.880 4.006 21.071 13.955 1.510 possible 1699 63 C PRO C 1 C3H0s 0.770 1.610 3.907 10.518 8.812 1.194 possible 1700 63 C PRO O 16 O1H0u 0.660 1.420 5.219 45.819 16.169 2.834 possible 1701 63 C PRO CB 9 C4H2b 0.770 1.880 35.193 -1.000 25.563 -1.000 bad 1702 63 C PRO CG 9 C4H2b 0.770 1.880 37.994 -1.000 25.832 -1.000 bad 1703 63 C PRO CD 8 C4H2s 0.770 1.880 5.837 30.061 23.836 1.261 possible 1704 64 C ARG N 12 N3H1s 0.700 1.640 3.510 13.342 13.650 0.977 possible 1705 64 C ARG CA 3 C4H1s 0.770 1.880 3.804 19.241 13.422 1.434 possible 1706 64 C ARG C 1 C3H0s 0.770 1.610 2.736 9.247 8.838 1.046 [OK] 1707 64 C ARG O 16 O1H0u 0.660 1.420 2.835 19.024 16.084 1.183 [OK] 1708 64 C ARG CB 8 C4H2s 0.770 1.880 4.076 41.584 23.088 1.801 possible 1709 65 C ALA N 12 N3H1s 0.700 1.640 2.673 13.616 14.046 0.969 [OK] 1710 65 C ALA CA 4 C4H1b 0.770 1.880 2.781 13.422 14.063 0.954 [OK] 1711 65 C ALA C 1 C3H0s 0.770 1.610 2.166 8.193 8.900 0.921 [OK] 1712 65 C ALA O 16 O1H0u 0.660 1.420 2.337 13.054 16.188 0.806 [OK] 1713 65 C ALA CB 10 C4H3u 0.770 1.880 3.093 34.574 36.782 0.940 possible 1714 66 C LEU N 12 N3H1s 0.700 1.640 2.587 14.125 13.655 1.034 [OK] 1715 66 C LEU CA 3 C4H1s 0.770 1.880 3.383 12.814 13.122 0.977 possible 1716 66 C LEU C 1 C3H0s 0.770 1.610 2.964 8.759 8.825 0.992 [OK] 1717 66 C LEU O 16 O1H0u 0.660 1.420 3.036 14.504 16.208 0.895 possible 1718 66 C LEU CB 8 C4H2s 0.770 1.880 4.665 32.626 22.951 1.422 possible 1719 66 C LEU CG 4 C4H1b 0.770 1.880 3.181 16.823 14.764 1.139 possible 1720 66 C LEU CD1 10 C4H3u 0.770 1.880 49.337 -1.000 37.425 -1.000 bad 1721 66 C LEU CD2 10 C4H3u 0.770 1.880 3.759 33.136 37.143 0.892 possible 1722 67 C TRP N 12 N3H1s 0.700 1.640 4.600 20.255 13.791 1.469 possible 1723 67 C TRP CA 3 C4H1s 0.770 1.880 4.971 19.164 13.377 1.433 possible 1724 67 C TRP C 1 C3H0s 0.770 1.610 2.462 8.477 8.724 0.972 [OK] 1725 67 C TRP O 16 O1H0u 0.660 1.420 3.052 18.837 15.951 1.181 possible 1726 67 C TRP CB 8 C4H2s 0.770 1.880 4.770 38.053 24.004 1.585 possible 1727 67 C TRP CG 2 C3H0b 0.770 1.610 2.117 8.484 9.965 0.851 [OK] 1728 67 C TRP CD1 5 C3H1s 0.770 1.760 3.263 24.667 20.874 1.182 possible 1729 67 C TRP CD2 2 C3H0b 0.770 1.610 2.692 8.946 10.097 0.886 [OK] 1730 67 C TRP NE1 13 N3H1b 0.700 1.640 3.107 22.030 16.969 1.298 possible 1731 67 C TRP CE2 2 C3H0b 0.770 1.610 2.696 10.689 9.889 1.081 [OK] 1732 67 C TRP CE3 6 C3H1b 0.770 1.760 4.548 28.959 20.448 1.416 possible 1733 67 C TRP CZ2 6 C3H1b 0.770 1.760 2.839 21.369 21.012 1.017 [OK] 1734 67 C TRP CZ3 6 C3H1b 0.770 1.760 3.053 24.214 21.516 1.125 possible 1735 67 C TRP CH2 6 C3H1b 0.770 1.760 3.054 21.470 21.339 1.006 possible 1736 68 C TRP N 12 N3H1s 0.700 1.640 2.659 12.650 13.791 0.917 [OK] 1737 68 C TRP CA 3 C4H1s 0.770 1.880 3.657 18.103 13.377 1.353 possible 1738 68 C TRP C 1 C3H0s 0.770 1.610 2.202 7.960 8.724 0.912 [OK] 1739 68 C TRP O 16 O1H0u 0.660 1.420 2.689 14.171 15.951 0.888 [OK] 1740 68 C TRP CB 8 C4H2s 0.770 1.880 2.901 22.006 24.004 0.917 [OK] 1741 68 C TRP CG 2 C3H0b 0.770 1.610 2.411 8.687 9.965 0.872 [OK] 1742 68 C TRP CD1 5 C3H1s 0.770 1.760 3.555 26.191 20.874 1.255 possible 1743 68 C TRP CD2 2 C3H0b 0.770 1.610 2.652 10.002 10.097 0.991 [OK] 1744 68 C TRP NE1 13 N3H1b 0.700 1.640 2.347 14.347 16.969 0.845 [OK] 1745 68 C TRP CE2 2 C3H0b 0.770 1.610 2.650 9.875 9.889 0.999 [OK] 1746 68 C TRP CE3 6 C3H1b 0.770 1.760 2.794 21.606 20.448 1.057 [OK] 1747 68 C TRP CZ2 6 C3H1b 0.770 1.760 2.741 19.797 21.012 0.942 [OK] 1748 68 C TRP CZ3 6 C3H1b 0.770 1.760 2.991 24.142 21.516 1.122 [OK] 1749 68 C TRP CH2 6 C3H1b 0.770 1.760 2.887 21.459 21.339 1.006 [OK] 1750 69 C SER N 12 N3H1s 0.700 1.640 2.267 10.548 14.103 0.748 [OK] 1751 69 C SER CA 3 C4H1s 0.770 1.880 2.917 14.654 13.476 1.087 [OK] 1752 69 C SER C 1 C3H0s 0.770 1.610 2.178 8.005 8.923 0.897 [OK] 1753 69 C SER O 16 O1H0u 0.660 1.420 2.178 13.030 16.179 0.805 [OK] 1754 69 C SER CB 8 C4H2s 0.770 1.880 3.378 23.615 23.884 0.989 possible 1755 69 C SER OG 17 O2H1u 0.660 1.460 2.684 21.990 18.732 1.174 [OK] 1756 70 C VAL N 12 N3H1s 0.700 1.640 2.598 13.165 13.676 0.963 [OK] 1757 70 C VAL CA 3 C4H1s 0.770 1.880 3.723 15.452 13.123 1.177 possible 1758 70 C VAL C 1 C3H0s 0.770 1.610 2.188 7.652 8.563 0.894 [OK] 1759 70 C VAL O 16 O1H0u 0.660 1.420 3.302 14.394 16.181 0.890 possible 1760 70 C VAL CB 4 C4H1b 0.770 1.880 3.105 15.481 14.598 1.060 possible 1761 70 C VAL CG1 10 C4H3u 0.770 1.880 4.691 49.741 36.584 1.360 possible 1762 70 C VAL CG2 10 C4H3u 0.770 1.880 6.334 79.504 36.332 2.188 possible 1763 71 C GLU N 12 N3H1s 0.700 1.640 2.997 15.269 13.615 1.121 [OK] 1764 71 C GLU CA 3 C4H1s 0.770 1.880 3.226 14.314 13.399 1.068 possible 1765 71 C GLU C 1 C3H0s 0.770 1.610 2.766 8.662 8.675 0.998 [OK] 1766 71 C GLU O 16 O1H0u 0.660 1.420 2.482 14.983 16.023 0.935 [OK] 1767 71 C GLU CB 8 C4H2s 0.770 1.880 3.827 58.455 23.529 2.484 possible 1768 72 C THR N 12 N3H1s 0.700 1.640 3.066 14.078 13.832 1.018 possible 1769 72 C THR CA 3 C4H1s 0.770 1.880 3.156 15.824 13.099 1.208 possible 1770 72 C THR C 1 C3H0s 0.770 1.610 2.416 7.783 8.738 0.891 [OK] 1771 72 C THR O 16 O1H0u 0.660 1.420 2.669 16.961 16.020 1.059 [OK] 1772 72 C THR CB 4 C4H1b 0.770 1.880 2.903 13.947 14.829 0.941 [OK] 1773 72 C THR OG1 17 O2H1u 0.660 1.460 2.921 18.153 18.123 1.002 [OK] 1774 72 C THR CG2 10 C4H3u 0.770 1.880 3.144 35.111 36.542 0.961 possible 1775 73 C ALA N 12 N3H1s 0.700 1.640 2.432 12.333 14.046 0.878 [OK] 1776 73 C ALA CA 4 C4H1b 0.770 1.880 2.818 14.238 14.063 1.012 [OK] 1777 73 C ALA C 1 C3H0s 0.770 1.610 3.086 8.644 8.900 0.971 possible 1778 73 C ALA O 16 O1H0u 0.660 1.420 3.202 23.140 16.188 1.429 possible 1779 73 C ALA CB 10 C4H3u 0.770 1.880 4.181 42.313 36.782 1.150 possible 1780 74 C THR N 12 N3H1s 0.700 1.640 3.217 12.612 13.832 0.912 possible 1781 74 C THR CA 3 C4H1s 0.770 1.880 3.373 16.361 13.099 1.249 possible 1782 74 C THR C 1 C3H0s 0.770 1.610 2.543 7.893 8.738 0.903 [OK] 1783 74 C THR O 16 O1H0u 0.660 1.420 4.097 25.388 16.020 1.585 possible 1784 74 C THR CB 4 C4H1b 0.770 1.880 2.468 11.394 14.829 0.768 [OK] 1785 74 C THR OG1 17 O2H1u 0.660 1.460 4.066 30.286 18.123 1.671 possible 1786 74 C THR CG2 10 C4H3u 0.770 1.880 3.155 30.033 36.542 0.822 possible 1787 75 C THR N 12 N3H1s 0.700 1.640 2.149 10.258 13.832 0.742 [OK] 1788 75 C THR CA 3 C4H1s 0.770 1.880 2.585 12.457 13.099 0.951 [OK] 1789 75 C THR C 1 C3H0s 0.770 1.610 2.302 8.547 8.738 0.978 [OK] 1790 75 C THR O 16 O1H0u 0.660 1.420 2.504 12.546 16.020 0.783 [OK] 1791 75 C THR CB 4 C4H1b 0.770 1.880 2.829 15.018 14.829 1.013 [OK] 1792 75 C THR OG1 17 O2H1u 0.660 1.460 3.865 18.799 18.123 1.037 possible 1793 75 C THR CG2 10 C4H3u 0.770 1.880 5.278 58.979 36.542 1.614 possible 1794 76 C VAL N 12 N3H1s 0.700 1.640 2.408 11.736 13.676 0.858 [OK] 1795 76 C VAL CA 3 C4H1s 0.770 1.880 2.575 12.848 13.123 0.979 [OK] 1796 76 C VAL C 1 C3H0s 0.770 1.610 2.572 9.094 8.563 1.062 [OK] 1797 76 C VAL O 16 O1H0u 0.660 1.420 2.475 13.721 16.181 0.848 [OK] 1798 76 C VAL CB 4 C4H1b 0.770 1.880 3.136 17.835 14.598 1.222 possible 1799 76 C VAL CG1 10 C4H3u 0.770 1.880 3.194 38.529 36.584 1.053 possible 1800 76 C VAL CG2 10 C4H3u 0.770 1.880 2.841 27.565 36.332 0.759 [OK] 1801 77 C GLY N 12 N3H1s 0.700 1.640 2.872 16.703 14.854 1.124 [OK] 1802 77 C GLY CA 8 C4H2s 0.770 1.880 3.298 25.406 23.688 1.073 possible 1803 77 C GLY C 2 C3H0b 0.770 1.610 2.478 8.875 9.840 0.902 [OK] 1804 77 C GLY O 16 O1H0u 0.660 1.420 2.235 14.063 16.391 0.858 [OK] 1805 78 C TYR N 12 N3H1s 0.700 1.640 3.498 21.133 13.691 1.544 possible 1806 78 C TYR CA 3 C4H1s 0.770 1.880 2.702 13.454 13.330 1.009 [OK] 1807 78 C TYR C 1 C3H0s 0.770 1.610 2.408 7.977 8.770 0.910 [OK] 1808 78 C TYR O 16 O1H0u 0.660 1.420 5.604 26.813 16.124 1.663 possible 1809 78 C TYR CB 8 C4H2s 0.770 1.880 3.121 25.056 23.678 1.058 possible 1810 78 C TYR CG 2 C3H0b 0.770 1.610 2.660 10.505 9.732 1.079 [OK] 1811 78 C TYR CD1 5 C3H1s 0.770 1.760 2.769 20.908 20.171 1.037 [OK] 1812 78 C TYR CD2 5 C3H1s 0.770 1.760 2.997 24.925 20.728 1.202 [OK] 1813 78 C TYR CE1 5 C3H1s 0.770 1.760 3.438 26.027 20.675 1.259 possible 1814 78 C TYR CE2 5 C3H1s 0.770 1.760 3.064 24.846 20.810 1.194 possible 1815 78 C TYR CZ 2 C3H0b 0.770 1.610 2.795 10.733 9.926 1.081 [OK] 1816 78 C TYR OH 17 O2H1u 0.660 1.460 2.726 20.710 19.173 1.080 [OK] 1817 79 C GLY N 12 N3H1s 0.700 1.640 3.252 17.793 14.854 1.198 possible 1818 79 C GLY CA 8 C4H2s 0.770 1.880 5.633 30.387 23.688 1.283 possible 1819 79 C GLY C 2 C3H0b 0.770 1.610 4.910 14.666 9.840 1.490 possible 1820 79 C GLY O 16 O1H0u 0.660 1.420 11.983 -1.000 16.391 -1.000 bad 1821 80 C ASP N 12 N3H1s 0.700 1.640 4.598 18.327 13.895 1.319 possible 1822 80 C ASP CA 3 C4H1s 0.770 1.880 5.237 26.296 13.377 1.966 possible 1823 80 C ASP C 1 C3H0s 0.770 1.610 2.638 8.162 8.816 0.926 [OK] 1824 80 C ASP O 16 O1H0u 0.660 1.420 16.865 -1.000 16.091 -1.000 bad 1825 80 C ASP CB 8 C4H2s 0.770 1.880 3.807 23.859 23.481 1.016 possible 1826 80 C ASP CG 2 C3H0b 0.770 1.610 2.670 9.070 9.422 0.963 [OK] 1827 80 C ASP OD1 16 O1H0u 0.660 1.420 3.131 26.551 15.505 1.712 possible 1828 80 C ASP OD2 16 O1H0u 0.660 1.420 4.381 26.234 16.324 1.607 possible 1829 81 C LEU N 12 N3H1s 0.700 1.640 2.725 13.950 13.655 1.022 [OK] 1830 81 C LEU CA 3 C4H1s 0.770 1.880 3.230 14.995 13.122 1.143 possible 1831 81 C LEU C 1 C3H0s 0.770 1.610 2.408 8.475 8.825 0.960 [OK] 1832 81 C LEU O 16 O1H0u 0.660 1.420 3.069 22.028 16.208 1.359 possible 1833 81 C LEU CB 8 C4H2s 0.770 1.880 3.425 26.885 22.951 1.171 possible 1834 81 C LEU CG 4 C4H1b 0.770 1.880 3.360 12.291 14.764 0.832 possible 1835 81 C LEU CD1 10 C4H3u 0.770 1.880 3.896 50.225 37.425 1.342 possible 1836 81 C LEU CD2 10 C4H3u 0.770 1.880 4.667 50.361 37.143 1.356 possible 1837 82 C TYR N 12 N3H1s 0.700 1.640 2.831 16.875 13.691 1.233 [OK] 1838 82 C TYR CA 3 C4H1s 0.770 1.880 2.581 13.006 13.330 0.976 [OK] 1839 82 C TYR C 1 C3H0s 0.770 1.610 2.183 8.092 8.770 0.923 [OK] 1840 82 C TYR O 16 O1H0u 0.660 1.420 2.817 20.373 16.124 1.264 [OK] 1841 82 C TYR CB 8 C4H2s 0.770 1.880 2.859 21.853 23.678 0.923 [OK] 1842 82 C TYR CG 2 C3H0b 0.770 1.610 2.788 10.429 9.732 1.072 [OK] 1843 82 C TYR CD1 5 C3H1s 0.770 1.760 3.116 22.169 20.171 1.099 possible 1844 82 C TYR CD2 5 C3H1s 0.770 1.760 2.966 25.368 20.728 1.224 [OK] 1845 82 C TYR CE1 5 C3H1s 0.770 1.760 5.672 42.306 20.675 2.046 possible 1846 82 C TYR CE2 5 C3H1s 0.770 1.760 4.851 32.684 20.810 1.571 possible 1847 82 C TYR CZ 2 C3H0b 0.770 1.610 3.430 12.239 9.926 1.233 possible 1848 82 C TYR OH 17 O2H1u 0.660 1.460 40.004 -1.000 19.173 -1.000 bad 1849 83 C PRO N 11 N3H0u 0.700 1.640 2.392 7.560 8.823 0.857 [OK] 1850 83 C PRO CA 4 C4H1b 0.770 1.880 2.322 10.764 13.955 0.771 [OK] 1851 83 C PRO C 1 C3H0s 0.770 1.610 2.343 8.838 8.812 1.003 [OK] 1852 83 C PRO O 16 O1H0u 0.660 1.420 2.460 16.895 16.169 1.045 [OK] 1853 83 C PRO CB 9 C4H2b 0.770 1.880 3.042 24.117 25.563 0.943 possible 1854 83 C PRO CG 9 C4H2b 0.770 1.880 2.715 21.374 25.832 0.827 [OK] 1855 83 C PRO CD 8 C4H2s 0.770 1.880 2.835 23.611 23.836 0.991 [OK] 1856 84 C VAL N 12 N3H1s 0.700 1.640 2.444 11.022 13.676 0.806 [OK] 1857 84 C VAL CA 3 C4H1s 0.770 1.880 2.565 12.287 13.123 0.936 [OK] 1858 84 C VAL C 1 C3H0s 0.770 1.610 3.374 9.882 8.563 1.154 possible 1859 84 C VAL O 16 O1H0u 0.660 1.420 17.824 -1.000 16.181 -1.000 bad 1860 84 C VAL CB 4 C4H1b 0.770 1.880 3.887 21.082 14.598 1.444 possible 1861 84 C VAL CG1 10 C4H3u 0.770 1.880 7.490 151.168 36.584 4.132 possible 1862 84 C VAL CG2 10 C4H3u 0.770 1.880 4.863 50.482 36.332 1.389 possible 1863 85 C THR N 12 N3H1s 0.700 1.640 3.373 13.223 13.832 0.956 possible 1864 85 C THR CA 3 C4H1s 0.770 1.880 5.668 22.010 13.099 1.680 possible 1865 85 C THR C 1 C3H0s 0.770 1.610 2.674 8.364 8.738 0.957 [OK] 1866 85 C THR O 16 O1H0u 0.660 1.420 2.271 12.481 16.020 0.779 [OK] 1867 85 C THR CB 4 C4H1b 0.770 1.880 2.621 13.303 14.829 0.897 [OK] 1868 85 C THR OG1 17 O2H1u 0.660 1.460 3.056 19.828 18.123 1.094 possible 1869 85 C THR CG2 10 C4H3u 0.770 1.880 29.616 -1.000 36.542 -1.000 bad 1870 86 C LEU N 12 N3H1s 0.700 1.640 7.978 39.707 13.655 2.908 possible 1871 86 C LEU CA 3 C4H1s 0.770 1.880 3.749 15.672 13.122 1.194 possible 1872 86 C LEU C 1 C3H0s 0.770 1.610 2.305 7.706 8.825 0.873 [OK] 1873 86 C LEU O 16 O1H0u 0.660 1.420 4.070 21.527 16.208 1.328 possible 1874 86 C LEU CB 8 C4H2s 0.770 1.880 16.915 -1.000 22.951 -1.000 bad 1875 86 C LEU CG 4 C4H1b 0.770 1.880 5.249 21.741 14.764 1.473 possible 1876 86 C LEU CD1 10 C4H3u 0.770 1.880 54.128 -1.000 37.425 -1.000 bad 1877 86 C LEU CD2 10 C4H3u 0.770 1.880 48.484 -1.000 37.143 -1.000 bad 1878 87 C TRP N 12 N3H1s 0.700 1.640 3.808 14.890 13.791 1.080 possible 1879 87 C TRP CA 3 C4H1s 0.770 1.880 3.161 14.006 13.377 1.047 possible 1880 87 C TRP C 1 C3H0s 0.770 1.610 2.815 8.675 8.724 0.994 [OK] 1881 87 C TRP O 16 O1H0u 0.660 1.420 3.240 14.170 15.951 0.888 possible 1882 87 C TRP CB 8 C4H2s 0.770 1.880 4.175 33.361 24.004 1.390 possible 1883 87 C TRP CG 2 C3H0b 0.770 1.610 5.736 18.299 9.965 1.836 possible 1884 87 C TRP CD1 5 C3H1s 0.770 1.760 35.541 -1.000 20.874 -1.000 bad 1885 87 C TRP CD2 2 C3H0b 0.770 1.610 7.020 20.795 10.097 2.060 possible 1886 87 C TRP NE1 13 N3H1b 0.700 1.640 30.220 -1.000 16.969 -1.000 bad 1887 87 C TRP CE2 2 C3H0b 0.770 1.610 3.392 -1.000 9.889 -1.000 bad 1888 87 C TRP CE3 6 C3H1b 0.770 1.760 7.017 26.641 20.448 1.303 possible 1889 87 C TRP CZ2 6 C3H1b 0.770 1.760 35.728 -1.000 21.012 -1.000 bad 1890 87 C TRP CZ3 6 C3H1b 0.770 1.760 9.456 -1.000 21.516 -1.000 bad 1891 87 C TRP CH2 6 C3H1b 0.770 1.760 34.075 -1.000 21.339 -1.000 bad 1892 88 C GLY N 12 N3H1s 0.700 1.640 2.744 13.974 14.854 0.941 [OK] 1893 88 C GLY CA 8 C4H2s 0.770 1.880 3.042 27.923 23.688 1.179 possible 1894 88 C GLY C 2 C3H0b 0.770 1.610 2.330 7.857 9.840 0.798 [OK] 1895 88 C GLY O 16 O1H0u 0.660 1.420 2.585 16.760 16.391 1.022 [OK] 1896 89 C ARG N 12 N3H1s 0.700 1.640 2.281 10.981 13.650 0.804 [OK] 1897 89 C ARG CA 3 C4H1s 0.770 1.880 2.520 12.391 13.422 0.923 [OK] 1898 89 C ARG C 1 C3H0s 0.770 1.610 4.059 9.306 8.838 1.053 possible 1899 89 C ARG O 16 O1H0u 0.660 1.420 3.896 18.005 16.084 1.119 possible 1900 89 C ARG CB 8 C4H2s 0.770 1.880 5.347 36.322 23.088 1.573 possible 1901 89 C ARG CG 8 C4H2s 0.770 1.880 3.198 23.019 23.640 0.974 possible 1902 89 C ARG CD 8 C4H2s 0.770 1.880 3.954 28.227 23.300 1.211 possible 1903 89 C ARG NE 13 N3H1b 0.700 1.640 2.689 14.351 15.569 0.922 [OK] 1904 89 C ARG CZ 2 C3H0b 0.770 1.610 2.629 9.347 9.747 0.959 [OK] 1905 89 C ARG NH1 15 N3H2u 0.700 1.640 5.669 68.124 22.782 2.990 possible 1906 89 C ARG NH2 15 N3H2u 0.700 1.640 4.669 43.116 23.810 1.811 possible 1907 90 C CYS N 12 N3H1s 0.700 1.640 4.004 13.713 13.981 0.981 possible 1908 90 C CYS CA 3 C4H1s 0.770 1.880 4.331 19.139 13.656 1.401 possible 1909 90 C CYS C 1 C3H0s 0.770 1.610 3.157 8.976 8.897 1.009 possible 1910 90 C CYS O 16 O1H0u 0.660 1.420 3.337 16.068 16.543 0.971 possible 1911 90 C CYS CB 9 C4H2b 0.770 1.880 7.312 56.074 23.536 2.382 possible 1912 90 C CYS SG 20 S2H1u 1.040 1.770 51.021 -1.000 34.603 -1.000 bad 1913 91 C VAL N 12 N3H1s 0.700 1.640 4.031 15.387 13.676 1.125 possible 1914 91 C VAL CA 3 C4H1s 0.770 1.880 4.030 18.758 13.123 1.429 possible 1915 91 C VAL C 1 C3H0s 0.770 1.610 2.192 7.893 8.563 0.922 [OK] 1916 91 C VAL O 16 O1H0u 0.660 1.420 2.836 15.828 16.181 0.978 [OK] 1917 91 C VAL CB 4 C4H1b 0.770 1.880 2.759 14.822 14.598 1.015 [OK] 1918 91 C VAL CG1 10 C4H3u 0.770 1.880 4.355 40.584 36.584 1.109 possible 1919 91 C VAL CG2 10 C4H3u 0.770 1.880 5.353 55.746 36.332 1.534 possible 1920 92 C ALA N 12 N3H1s 0.700 1.640 2.375 12.422 14.046 0.884 [OK] 1921 92 C ALA CA 4 C4H1b 0.770 1.880 2.578 12.252 14.063 0.871 [OK] 1922 92 C ALA C 1 C3H0s 0.770 1.610 2.402 8.389 8.900 0.943 [OK] 1923 92 C ALA O 16 O1H0u 0.660 1.420 2.254 11.911 16.188 0.736 [OK] 1924 92 C ALA CB 10 C4H3u 0.770 1.880 3.128 33.780 36.782 0.918 possible 1925 93 C VAL N 12 N3H1s 0.700 1.640 2.930 13.569 13.676 0.992 [OK] 1926 93 C VAL CA 3 C4H1s 0.770 1.880 3.628 15.024 13.123 1.145 possible 1927 93 C VAL C 1 C3H0s 0.770 1.610 2.285 6.915 8.563 0.807 [OK] 1928 93 C VAL O 16 O1H0u 0.660 1.420 3.309 14.272 16.181 0.882 possible 1929 93 C VAL CB 4 C4H1b 0.770 1.880 3.851 15.765 14.598 1.080 possible 1930 93 C VAL CG1 10 C4H3u 0.770 1.880 34.941 -1.000 36.584 -1.000 bad 1931 93 C VAL CG2 10 C4H3u 0.770 1.880 6.795 77.786 36.332 2.141 possible 1932 94 C VAL N 12 N3H1s 0.700 1.640 2.627 12.945 13.676 0.947 [OK] 1933 94 C VAL CA 3 C4H1s 0.770 1.880 3.691 16.909 13.123 1.288 possible 1934 94 C VAL C 1 C3H0s 0.770 1.610 2.252 6.971 8.563 0.814 [OK] 1935 94 C VAL O 16 O1H0u 0.660 1.420 3.078 15.474 16.181 0.956 possible 1936 94 C VAL CB 4 C4H1b 0.770 1.880 3.885 15.447 14.598 1.058 possible 1937 94 C VAL CG1 10 C4H3u 0.770 1.880 28.481 -1.000 36.584 -1.000 bad 1938 94 C VAL CG2 10 C4H3u 0.770 1.880 49.825 -1.000 36.332 -1.000 bad 1939 95 C VAL N 12 N3H1s 0.700 1.640 3.036 12.421 13.676 0.908 possible 1940 95 C VAL CA 3 C4H1s 0.770 1.880 2.773 12.775 13.123 0.973 [OK] 1941 95 C VAL C 1 C3H0s 0.770 1.610 2.180 8.170 8.563 0.954 [OK] 1942 95 C VAL O 16 O1H0u 0.660 1.420 2.601 17.208 16.181 1.063 [OK] 1943 95 C VAL CB 4 C4H1b 0.770 1.880 3.307 19.207 14.598 1.316 possible 1944 95 C VAL CG1 10 C4H3u 0.770 1.880 2.936 27.286 36.584 0.746 [OK] 1945 95 C VAL CG2 10 C4H3u 0.770 1.880 3.081 35.437 36.332 0.975 possible 1946 96 C MET N 12 N3H1s 0.700 1.640 2.208 10.663 13.564 0.786 [OK] 1947 96 C MET CA 3 C4H1s 0.770 1.880 3.022 14.132 13.231 1.068 possible 1948 96 C MET C 1 C3H0s 0.770 1.610 2.503 8.704 8.782 0.991 [OK] 1949 96 C MET O 16 O1H0u 0.660 1.420 2.630 16.284 16.277 1.000 [OK] 1950 96 C MET CB 8 C4H2s 0.770 1.880 3.666 23.569 23.645 0.997 possible 1951 96 C MET CG 9 C4H2b 0.770 1.880 3.094 22.985 24.009 0.957 possible 1952 96 C MET SD 19 S2H0u 1.040 1.770 3.209 35.059 30.093 1.165 possible 1953 96 C MET CE 10 C4H3u 0.770 1.880 3.231 34.678 37.161 0.933 possible 1954 97 C VAL N 12 N3H1s 0.700 1.640 2.974 12.920 13.676 0.945 [OK] 1955 97 C VAL CA 3 C4H1s 0.770 1.880 3.000 14.286 13.123 1.089 [OK] 1956 97 C VAL C 1 C3H0s 0.770 1.610 2.600 7.437 8.563 0.868 [OK] 1957 97 C VAL O 16 O1H0u 0.660 1.420 2.601 13.187 16.181 0.815 [OK] 1958 97 C VAL CB 4 C4H1b 0.770 1.880 6.605 26.493 14.598 1.815 possible 1959 97 C VAL CG1 10 C4H3u 0.770 1.880 24.663 -1.000 36.584 -1.000 bad 1960 97 C VAL CG2 10 C4H3u 0.770 1.880 33.829 -1.000 36.332 -1.000 bad 1961 98 C ALA N 12 N3H1s 0.700 1.640 2.739 12.278 14.046 0.874 [OK] 1962 98 C ALA CA 4 C4H1b 0.770 1.880 5.570 28.911 14.063 2.056 possible 1963 98 C ALA C 1 C3H0s 0.770 1.610 2.087 7.155 8.900 0.804 [OK] 1964 98 C ALA O 16 O1H0u 0.660 1.420 3.713 16.644 16.188 1.028 possible 1965 98 C ALA CB 10 C4H3u 0.770 1.880 4.641 42.022 36.782 1.142 possible 1966 99 C GLY N 12 N3H1s 0.700 1.640 2.524 13.140 14.854 0.885 [OK] 1967 99 C GLY CA 8 C4H2s 0.770 1.880 3.233 25.439 23.688 1.074 possible 1968 99 C GLY C 2 C3H0b 0.770 1.610 3.110 10.359 9.840 1.053 possible 1969 99 C GLY O 16 O1H0u 0.660 1.420 3.468 17.857 16.391 1.089 possible 1970 100 C ILE N 12 N3H1s 0.700 1.640 3.124 13.967 13.633 1.024 possible 1971 100 C ILE CA 3 C4H1s 0.770 1.880 4.733 23.292 13.007 1.791 possible 1972 100 C ILE C 1 C3H0s 0.770 1.610 2.980 8.495 8.470 1.003 [OK] 1973 100 C ILE O 16 O1H0u 0.660 1.420 5.369 38.175 16.144 2.365 possible 1974 100 C ILE CB 4 C4H1b 0.770 1.880 3.055 14.607 14.227 1.027 possible 1975 100 C ILE CG1 9 C4H2b 0.770 1.880 3.737 26.481 24.187 1.095 possible 1976 100 C ILE CG2 10 C4H3u 0.770 1.880 7.999 101.982 35.961 2.836 possible 1977 100 C ILE CD1 10 C4H3u 0.770 1.880 3.704 36.816 38.377 0.959 possible 1978 101 C THR N 12 N3H1s 0.700 1.640 2.857 12.531 13.832 0.906 [OK] 1979 101 C THR CA 3 C4H1s 0.770 1.880 3.777 17.591 13.099 1.343 possible 1980 101 C THR C 1 C3H0s 0.770 1.610 2.405 7.711 8.738 0.882 [OK] 1981 101 C THR O 16 O1H0u 0.660 1.420 3.221 16.512 16.020 1.031 possible 1982 101 C THR CB 4 C4H1b 0.770 1.880 3.183 14.233 14.829 0.960 possible 1983 101 C THR OG1 17 O2H1u 0.660 1.460 14.334 -1.000 18.123 -1.000 bad 1984 101 C THR CG2 10 C4H3u 0.770 1.880 34.632 -1.000 36.542 -1.000 bad 1985 102 C SER N 12 N3H1s 0.700 1.640 3.003 12.486 14.103 0.885 possible 1986 102 C SER CA 3 C4H1s 0.770 1.880 3.990 19.855 13.476 1.473 possible 1987 102 C SER C 1 C3H0s 0.770 1.610 2.367 7.422 8.923 0.832 [OK] 1988 102 C SER O 16 O1H0u 0.660 1.420 2.971 23.302 16.179 1.440 [OK] 1989 102 C SER CB 8 C4H2s 0.770 1.880 4.236 31.021 23.884 1.299 possible 1990 102 C SER OG 17 O2H1u 0.660 1.460 3.377 27.288 18.732 1.457 possible 1991 103 C PHE N 12 N3H1s 0.700 1.640 2.473 12.679 13.691 0.926 [OK] 1992 103 C PHE CA 3 C4H1s 0.770 1.880 3.047 13.483 13.449 1.003 possible 1993 103 C PHE C 1 C3H0s 0.770 1.610 4.155 9.536 8.753 1.089 possible 1994 103 C PHE O 16 O1H0u 0.660 1.420 3.944 23.726 16.151 1.469 possible 1995 103 C PHE CB 8 C4H2s 0.770 1.880 4.972 36.239 23.777 1.524 possible 1996 103 C PHE CG 2 C3H0b 0.770 1.610 2.876 9.743 9.721 1.002 [OK] 1997 103 C PHE CD1 5 C3H1s 0.770 1.760 3.748 28.969 20.405 1.420 possible 1998 103 C PHE CD2 6 C3H1b 0.770 1.760 3.845 27.977 21.051 1.329 possible 1999 103 C PHE CE1 6 C3H1b 0.770 1.760 5.262 46.510 21.580 2.155 possible 2000 103 C PHE CE2 6 C3H1b 0.770 1.760 4.405 33.738 21.680 1.556 possible 2001 103 C PHE CZ 6 C3H1b 0.770 1.760 4.990 43.503 21.666 2.008 possible 2002 104 C GLY N 12 N3H1s 0.700 1.640 4.553 15.294 14.854 1.030 possible 2003 104 C GLY CA 8 C4H2s 0.770 1.880 5.597 39.693 23.688 1.676 possible 2004 104 C GLY C 2 C3H0b 0.770 1.610 2.992 10.401 9.840 1.057 [OK] 2005 104 C GLY O 16 O1H0u 0.660 1.420 2.655 15.971 16.391 0.974 [OK] 2006 105 C LEU N 12 N3H1s 0.700 1.640 3.030 15.894 13.655 1.164 possible 2007 105 C LEU CA 3 C4H1s 0.770 1.880 2.926 14.262 13.122 1.087 [OK] 2008 105 C LEU C 1 C3H0s 0.770 1.610 2.565 8.140 8.825 0.922 [OK] 2009 105 C LEU O 16 O1H0u 0.660 1.420 2.475 13.052 16.208 0.805 [OK] 2010 105 C LEU CB 8 C4H2s 0.770 1.880 3.262 25.324 22.951 1.103 possible 2011 105 C LEU CG 4 C4H1b 0.770 1.880 3.100 14.740 14.764 0.998 possible 2012 105 C LEU CD1 10 C4H3u 0.770 1.880 7.692 81.417 37.425 2.175 possible 2013 105 C LEU CD2 10 C4H3u 0.770 1.880 5.976 55.609 37.143 1.497 possible 2014 106 C VAL N 12 N3H1s 0.700 1.640 2.726 14.107 13.676 1.032 [OK] 2015 106 C VAL CA 3 C4H1s 0.770 1.880 3.265 14.347 13.123 1.093 possible 2016 106 C VAL C 1 C3H0s 0.770 1.610 2.896 7.990 8.563 0.933 [OK] 2017 106 C VAL O 16 O1H0u 0.660 1.420 3.041 15.092 16.181 0.933 possible 2018 106 C VAL CB 4 C4H1b 0.770 1.880 3.557 16.016 14.598 1.097 possible 2019 106 C VAL CG1 10 C4H3u 0.770 1.880 27.767 -1.000 36.584 -1.000 bad 2020 106 C VAL CG2 10 C4H3u 0.770 1.880 5.220 59.451 36.332 1.636 possible 2021 107 C THR N 12 N3H1s 0.700 1.640 3.277 13.617 13.832 0.984 possible 2022 107 C THR CA 3 C4H1s 0.770 1.880 3.535 16.799 13.099 1.282 possible 2023 107 C THR C 1 C3H0s 0.770 1.610 2.254 7.366 8.738 0.843 [OK] 2024 107 C THR O 16 O1H0u 0.660 1.420 2.791 15.918 16.020 0.994 [OK] 2025 107 C THR CB 4 C4H1b 0.770 1.880 3.802 15.673 14.829 1.057 possible 2026 107 C THR OG1 17 O2H1u 0.660 1.460 6.086 56.309 18.123 3.107 possible 2027 107 C THR CG2 10 C4H3u 0.770 1.880 4.803 47.937 36.542 1.312 possible 2028 108 C ALA N 12 N3H1s 0.700 1.640 2.704 11.582 14.046 0.825 [OK] 2029 108 C ALA CA 4 C4H1b 0.770 1.880 3.070 16.000 14.063 1.138 possible 2030 108 C ALA C 1 C3H0s 0.770 1.610 2.553 8.208 8.900 0.922 [OK] 2031 108 C ALA O 16 O1H0u 0.660 1.420 2.416 13.349 16.188 0.825 [OK] 2032 108 C ALA CB 10 C4H3u 0.770 1.880 3.167 36.195 36.782 0.984 possible 2033 109 C ALA N 12 N3H1s 0.700 1.640 2.374 12.054 14.046 0.858 [OK] 2034 109 C ALA CA 4 C4H1b 0.770 1.880 2.613 13.910 14.063 0.989 [OK] 2035 109 C ALA C 1 C3H0s 0.770 1.610 2.175 7.503 8.900 0.843 [OK] 2036 109 C ALA O 16 O1H0u 0.660 1.420 2.152 13.941 16.188 0.861 [OK] 2037 109 C ALA CB 10 C4H3u 0.770 1.880 3.810 33.461 36.782 0.910 possible 2038 110 C LEU N 12 N3H1s 0.700 1.640 2.136 11.804 13.655 0.864 [OK] 2039 110 C LEU CA 3 C4H1s 0.770 1.880 2.957 14.351 13.122 1.094 [OK] 2040 110 C LEU C 1 C3H0s 0.770 1.610 2.096 8.001 8.825 0.907 [OK] 2041 110 C LEU O 16 O1H0u 0.660 1.420 2.713 17.872 16.208 1.103 [OK] 2042 110 C LEU CB 8 C4H2s 0.770 1.880 3.243 24.487 22.951 1.067 possible 2043 110 C LEU CG 4 C4H1b 0.770 1.880 4.588 23.092 14.764 1.564 possible 2044 110 C LEU CD1 10 C4H3u 0.770 1.880 6.555 55.599 37.425 1.486 possible 2045 110 C LEU CD2 10 C4H3u 0.770 1.880 5.166 54.472 37.143 1.467 possible 2046 111 C ALA N 12 N3H1s 0.700 1.640 2.437 11.333 14.046 0.807 [OK] 2047 111 C ALA CA 4 C4H1b 0.770 1.880 2.774 13.881 14.063 0.987 [OK] 2048 111 C ALA C 1 C3H0s 0.770 1.610 3.322 9.066 8.900 1.019 possible 2049 111 C ALA O 16 O1H0u 0.660 1.420 3.698 21.716 16.188 1.341 possible 2050 111 C ALA CB 10 C4H3u 0.770 1.880 4.361 47.395 36.782 1.289 possible 2051 112 C THR N 12 N3H1s 0.700 1.640 3.130 12.161 13.832 0.879 possible 2052 112 C THR CA 3 C4H1s 0.770 1.880 3.226 14.763 13.099 1.127 possible 2053 112 C THR C 1 C3H0s 0.770 1.610 2.534 7.942 8.738 0.909 [OK] 2054 112 C THR O 16 O1H0u 0.660 1.420 3.873 18.815 16.020 1.174 possible 2055 112 C THR CB 4 C4H1b 0.770 1.880 4.207 17.493 14.829 1.180 possible 2056 112 C THR OG1 17 O2H1u 0.660 1.460 4.229 27.090 18.123 1.495 possible 2057 112 C THR CG2 10 C4H3u 0.770 1.880 3.236 30.822 36.542 0.843 possible 2058 113 C TRP N 12 N3H1s 0.700 1.640 2.596 12.350 13.791 0.896 [OK] 2059 113 C TRP CA 3 C4H1s 0.770 1.880 3.869 18.507 13.377 1.384 possible 2060 113 C TRP C 1 C3H0s 0.770 1.610 2.516 9.454 8.724 1.084 [OK] 2061 113 C TRP O 16 O1H0u 0.660 1.420 3.231 22.877 15.951 1.434 possible 2062 113 C TRP CB 8 C4H2s 0.770 1.880 2.791 22.462 24.004 0.936 [OK] 2063 113 C TRP CG 2 C3H0b 0.770 1.610 2.532 9.513 9.965 0.955 [OK] 2064 113 C TRP CD1 5 C3H1s 0.770 1.760 14.947 -1.000 20.874 -1.000 bad 2065 113 C TRP CD2 2 C3H0b 0.770 1.610 2.633 10.137 10.097 1.004 [OK] 2066 113 C TRP NE1 13 N3H1b 0.700 1.640 24.201 -1.000 16.969 -1.000 bad 2067 113 C TRP CE2 2 C3H0b 0.770 1.610 3.431 12.722 9.889 1.286 possible 2068 113 C TRP CE3 6 C3H1b 0.770 1.760 3.210 24.865 20.448 1.216 possible 2069 113 C TRP CZ2 6 C3H1b 0.770 1.760 26.368 -1.000 21.012 -1.000 bad 2070 113 C TRP CZ3 6 C3H1b 0.770 1.760 5.740 40.213 21.516 1.869 possible 2071 113 C TRP CH2 6 C3H1b 0.770 1.760 19.829 -1.000 21.339 -1.000 bad 2072 114 C PHE N 12 N3H1s 0.700 1.640 2.397 11.712 13.691 0.855 [OK] 2073 114 C PHE CA 3 C4H1s 0.770 1.880 3.034 13.416 13.449 0.998 possible 2074 114 C PHE C 1 C3H0s 0.770 1.610 2.630 9.407 8.753 1.075 [OK] 2075 114 C PHE O 16 O1H0u 0.660 1.420 3.730 28.733 16.151 1.779 possible 2076 114 C PHE CB 8 C4H2s 0.770 1.880 2.774 18.228 23.777 0.767 [OK] 2077 114 C PHE CG 2 C3H0b 0.770 1.610 2.685 8.844 9.721 0.910 [OK] 2078 114 C PHE CD1 5 C3H1s 0.770 1.760 2.918 17.427 20.405 0.854 [OK] 2079 114 C PHE CD2 6 C3H1b 0.770 1.760 2.845 16.886 21.051 0.802 [OK] 2080 114 C PHE CE1 6 C3H1b 0.770 1.760 3.044 18.578 21.580 0.861 possible 2081 114 C PHE CE2 6 C3H1b 0.770 1.760 2.960 21.948 21.680 1.012 [OK] 2082 114 C PHE CZ 6 C3H1b 0.770 1.760 3.185 22.139 21.666 1.022 possible 2083 115 C VAL N 12 N3H1s 0.700 1.640 2.213 11.212 13.676 0.820 [OK] 2084 115 C VAL CA 3 C4H1s 0.770 1.880 4.306 18.444 13.123 1.405 possible 2085 115 C VAL C 1 C3H0s 0.770 1.610 2.748 8.287 8.563 0.968 [OK] 2086 115 C VAL O 16 O1H0u 0.660 1.420 3.390 19.024 16.181 1.176 possible 2087 115 C VAL CB 4 C4H1b 0.770 1.880 2.993 13.955 14.598 0.956 [OK] 2088 115 C VAL CG1 10 C4H3u 0.770 1.880 4.354 63.385 36.584 1.733 possible 2089 115 C VAL CG2 10 C4H3u 0.770 1.880 4.360 45.652 36.332 1.257 possible 2090 116 C GLY N 12 N3H1s 0.700 1.640 3.859 15.473 14.854 1.042 possible 2091 116 C GLY CA 8 C4H2s 0.770 1.880 6.993 93.805 23.688 3.960 possible 2092 116 C GLY C 2 C3H0b 0.770 1.610 3.269 12.369 9.840 1.257 possible 2093 116 C GLY O 16 O1H0u 0.660 1.420 17.210 -1.000 16.391 -1.000 bad 2094 117 C ARG N 12 N3H1s 0.700 1.640 2.739 12.508 13.650 0.916 [OK] 2095 117 C ARG CA 3 C4H1s 0.770 1.880 3.313 15.264 13.422 1.137 possible 2096 117 C ARG C 1 C3H0s 0.770 1.610 3.116 11.586 8.838 1.311 possible 2097 117 C ARG O 16 O1H0u 0.660 1.420 7.095 83.192 16.084 5.172 possible 2098 117 C ARG CB 8 C4H2s 0.770 1.880 3.891 33.586 23.088 1.455 possible 2099 117 C ARG CG 8 C4H2s 0.770 1.880 4.043 32.885 23.640 1.391 possible 2100 117 C ARG CD 8 C4H2s 0.770 1.880 7.590 75.732 23.300 3.250 possible 2101 117 C ARG NE 13 N3H1b 0.700 1.640 47.191 -1.000 15.569 -1.000 bad 2102 118 C GLU N 12 N3H1s 0.700 1.640 2.924 13.723 13.615 1.008 [OK] 2103 118 C GLU CA 3 C4H1s 0.770 1.880 4.961 25.520 13.399 1.905 possible 2104 118 C GLU C 1 C3H0s 0.770 1.610 3.136 9.627 8.675 1.110 possible 2105 118 C GLU O 16 O1H0u 0.660 1.420 31.586 -1.000 16.023 -1.000 bad 2106 118 C GLU CB 8 C4H2s 0.770 1.880 4.373 40.924 23.529 1.739 possible 2107 118 C GLU CG 8 C4H2s 0.770 1.880 4.555 36.356 23.513 1.546 possible 2108 118 C GLU CD 2 C3H0b 0.770 1.610 7.348 18.799 9.460 1.987 possible 2109 118 C GLU OE1 16 O1H0u 0.660 1.420 5.917 46.734 15.999 2.921 possible 2110 118 C GLU OE2 16 O1H0u 0.660 1.420 27.912 -1.000 17.432 -1.000 bad 2111 119 C GLN N 12 N3H1s 0.700 1.640 2.868 14.735 13.616 1.082 [OK] 2112 119 C GLN CA 3 C4H1s 0.770 1.880 11.162 -1.000 13.334 -1.000 bad 2113 119 C GLN C 1 C3H0s 0.770 1.610 2.997 8.622 8.787 0.981 [OK] 2114 119 C GLN O 16 O1H0u 0.660 1.420 44.340 -1.000 15.993 -1.000 bad 2115 119 C GLN CB 8 C4H2s 0.770 1.880 29.828 -1.000 23.275 -1.000 bad 2116 119 C GLN CG 8 C4H2s 0.770 1.880 18.565 -1.000 23.465 -1.000 bad 2117 119 C GLN CD 2 C3H0b 0.770 1.610 6.947 14.654 9.659 1.517 possible 2118 119 C GLN OE1 16 O1H0u 0.660 1.420 40.600 -1.000 17.091 -1.000 bad 2119 119 C GLN NE2 15 N3H2u 0.700 1.640 22.193 -1.000 24.150 -1.000 bad 2120 119 C GLN OXT 16 O1H0u 0.660 1.420 26.489 -1.000 1.420 -1.000 bad 2122 23 D ALA N 12 N3H1s 0.700 1.640 42.112 -1.000 14.046 -1.000 bad 2123 23 D ALA CA 4 C4H1b 0.770 1.880 18.757 -1.000 14.063 -1.000 bad 2124 23 D ALA C 1 C3H0s 0.770 1.610 3.367 11.672 8.900 1.311 possible 2125 23 D ALA O 16 O1H0u 0.660 1.420 25.638 -1.000 16.188 -1.000 bad 2126 23 D ALA CB 10 C4H3u 0.770 1.880 36.680 -1.000 36.782 -1.000 bad 2127 24 D LEU N 12 N3H1s 0.700 1.640 3.417 17.419 13.655 1.276 possible 2128 24 D LEU CA 3 C4H1s 0.770 1.880 4.097 17.212 13.122 1.312 possible 2129 24 D LEU C 1 C3H0s 0.770 1.610 2.246 8.104 8.825 0.918 [OK] 2130 24 D LEU O 16 O1H0u 0.660 1.420 2.397 12.237 16.208 0.755 [OK] 2131 24 D LEU CB 8 C4H2s 0.770 1.880 3.509 27.296 22.951 1.189 possible 2132 24 D LEU CG 4 C4H1b 0.770 1.880 2.914 14.241 14.764 0.965 [OK] 2133 24 D LEU CD1 10 C4H3u 0.770 1.880 41.823 -1.000 37.425 -1.000 bad 2134 24 D LEU CD2 10 C4H3u 0.770 1.880 3.795 39.884 37.143 1.074 possible 2135 25 D HIS N 12 N3H1s 0.700 1.640 3.397 16.910 13.715 1.233 possible 2136 25 D HIS CA 3 C4H1s 0.770 1.880 2.287 10.765 13.467 0.799 [OK] 2137 25 D HIS C 1 C3H0s 0.770 1.610 2.202 7.758 8.882 0.873 [OK] 2138 25 D HIS O 16 O1H0u 0.660 1.420 2.573 16.445 16.082 1.023 [OK] 2139 25 D HIS CB 8 C4H2s 0.770 1.880 3.345 22.649 23.653 0.958 possible 2140 25 D HIS CG 2 C3H0b 0.770 1.610 2.934 9.786 9.952 0.983 [OK] 2141 25 D HIS ND1 13 N3H1b 0.700 1.640 2.411 13.793 15.506 0.890 [OK] 2142 25 D HIS CD2 5 C3H1s 0.770 1.760 5.045 40.447 21.085 1.918 possible 2143 25 D HIS CE1 5 C3H1s 0.770 1.760 3.372 20.098 20.636 0.974 possible 2144 25 D HIS NE2 13 N3H1b 0.700 1.640 7.149 65.789 15.337 4.290 possible 2145 26 D TRP N 12 N3H1s 0.700 1.640 2.508 12.255 13.791 0.889 [OK] 2146 26 D TRP CA 3 C4H1s 0.770 1.880 3.057 12.791 13.377 0.956 possible 2147 26 D TRP C 1 C3H0s 0.770 1.610 3.415 10.628 8.724 1.218 possible 2148 26 D TRP O 16 O1H0u 0.660 1.420 16.336 -1.000 15.951 -1.000 bad 2149 26 D TRP CB 8 C4H2s 0.770 1.880 4.688 33.348 24.004 1.389 possible 2150 26 D TRP CG 2 C3H0b 0.770 1.610 3.010 11.518 9.965 1.156 possible 2151 26 D TRP CD1 5 C3H1s 0.770 1.760 31.748 -1.000 20.874 -1.000 bad 2152 26 D TRP CD2 2 C3H0b 0.770 1.610 4.254 13.154 10.097 1.303 possible 2153 26 D TRP NE1 13 N3H1b 0.700 1.640 24.537 -1.000 16.969 -1.000 bad 2154 26 D TRP CE2 2 C3H0b 0.770 1.610 5.311 16.886 9.889 1.708 possible 2155 26 D TRP CE3 6 C3H1b 0.770 1.760 4.440 21.352 20.448 1.044 possible 2156 26 D TRP CZ2 6 C3H1b 0.770 1.760 22.490 -1.000 21.012 -1.000 bad 2157 26 D TRP CZ3 6 C3H1b 0.770 1.760 4.580 22.112 21.516 1.028 possible 2158 26 D TRP CH2 6 C3H1b 0.770 1.760 5.603 39.626 21.339 1.857 possible 2159 27 D ARG N 12 N3H1s 0.700 1.640 3.026 13.810 13.650 1.012 possible 2160 27 D ARG CA 3 C4H1s 0.770 1.880 5.604 20.640 13.422 1.538 possible 2161 27 D ARG C 1 C3H0s 0.770 1.610 4.111 9.558 8.838 1.081 possible 2162 27 D ARG O 16 O1H0u 0.660 1.420 6.827 40.806 16.084 2.537 possible 2163 27 D ARG CB 8 C4H2s 0.770 1.880 42.937 -1.000 23.088 -1.000 bad 2164 28 D ALA N 12 N3H1s 0.700 1.640 4.349 14.162 14.046 1.008 possible 2165 28 D ALA CA 4 C4H1b 0.770 1.880 7.844 42.371 14.063 3.013 possible 2166 28 D ALA C 1 C3H0s 0.770 1.610 2.415 9.074 8.900 1.020 [OK] 2167 28 D ALA O 16 O1H0u 0.660 1.420 5.019 31.114 16.188 1.922 possible 2168 28 D ALA CB 10 C4H3u 0.770 1.880 7.791 74.419 36.782 2.023 possible 2169 29 D ALA N 12 N3H1s 0.700 1.640 2.638 15.911 14.046 1.133 [OK] 2170 29 D ALA CA 4 C4H1b 0.770 1.880 3.385 15.694 14.063 1.116 possible 2171 29 D ALA C 1 C3H0s 0.770 1.610 3.007 9.400 8.900 1.056 possible 2172 29 D ALA O 16 O1H0u 0.660 1.420 2.917 15.181 16.188 0.938 [OK] 2173 29 D ALA CB 10 C4H3u 0.770 1.880 4.759 51.380 36.782 1.397 possible 2174 30 D GLY N 12 N3H1s 0.700 1.640 4.756 25.927 14.854 1.745 possible 2175 30 D GLY CA 8 C4H2s 0.770 1.880 35.928 -1.000 23.688 -1.000 bad 2176 30 D GLY C 2 C3H0b 0.770 1.610 6.062 16.418 9.840 1.668 possible 2177 30 D GLY O 16 O1H0u 0.660 1.420 14.475 -1.000 16.391 -1.000 bad 2178 31 D ALA N 12 N3H1s 0.700 1.640 4.475 15.312 14.046 1.090 possible 2179 31 D ALA CA 4 C4H1b 0.770 1.880 4.947 17.812 14.063 1.267 possible 2180 31 D ALA C 1 C3H0s 0.770 1.610 3.063 9.429 8.900 1.059 possible 2181 31 D ALA O 16 O1H0u 0.660 1.420 4.666 21.786 16.188 1.346 possible 2182 31 D ALA CB 10 C4H3u 0.770 1.880 49.689 -1.000 36.782 -1.000 bad 2183 32 D ALA N 12 N3H1s 0.700 1.640 3.708 15.517 14.046 1.105 possible 2184 32 D ALA CA 4 C4H1b 0.770 1.880 3.471 12.004 14.063 0.854 possible 2185 32 D ALA C 1 C3H0s 0.770 1.610 2.602 8.232 8.900 0.925 [OK] 2186 32 D ALA O 16 O1H0u 0.660 1.420 3.375 14.619 16.188 0.903 possible 2187 32 D ALA CB 10 C4H3u 0.770 1.880 4.431 55.771 36.782 1.516 possible 2188 33 D THR N 12 N3H1s 0.700 1.640 3.009 14.923 13.832 1.079 possible 2189 33 D THR CA 3 C4H1s 0.770 1.880 3.017 16.629 13.099 1.270 possible 2190 33 D THR C 1 C3H0s 0.770 1.610 3.044 7.860 8.738 0.900 possible 2191 33 D THR O 16 O1H0u 0.660 1.420 3.275 18.635 16.020 1.163 possible 2192 33 D THR CB 4 C4H1b 0.770 1.880 7.055 43.318 14.829 2.921 possible 2193 33 D THR OG1 17 O2H1u 0.660 1.460 15.457 -1.000 18.123 -1.000 bad 2194 33 D THR CG2 10 C4H3u 0.770 1.880 20.686 -1.000 36.542 -1.000 bad 2195 34 D VAL N 12 N3H1s 0.700 1.640 3.067 11.868 13.676 0.868 possible 2196 34 D VAL CA 3 C4H1s 0.770 1.880 4.433 19.402 13.123 1.478 possible 2197 34 D VAL C 1 C3H0s 0.770 1.610 2.893 9.663 8.563 1.128 [OK] 2198 34 D VAL O 16 O1H0u 0.660 1.420 4.974 23.364 16.181 1.444 possible 2199 34 D VAL CB 4 C4H1b 0.770 1.880 5.572 23.041 14.598 1.578 possible 2200 34 D VAL CG1 10 C4H3u 0.770 1.880 48.955 -1.000 36.584 -1.000 bad 2201 34 D VAL CG2 10 C4H3u 0.770 1.880 31.996 -1.000 36.332 -1.000 bad 2202 35 D LEU N 12 N3H1s 0.700 1.640 2.559 10.374 13.655 0.760 [OK] 2203 35 D LEU CA 3 C4H1s 0.770 1.880 3.457 15.364 13.122 1.171 possible 2204 35 D LEU C 1 C3H0s 0.770 1.610 3.131 9.455 8.825 1.071 possible 2205 35 D LEU O 16 O1H0u 0.660 1.420 4.136 19.520 16.208 1.204 possible 2206 35 D LEU CB 8 C4H2s 0.770 1.880 6.285 47.154 22.951 2.055 possible 2207 35 D LEU CG 4 C4H1b 0.770 1.880 3.611 14.911 14.764 1.010 possible 2208 35 D LEU CD1 10 C4H3u 0.770 1.880 40.432 -1.000 37.425 -1.000 bad 2209 35 D LEU CD2 10 C4H3u 0.770 1.880 58.266 -1.000 37.143 -1.000 bad 2210 36 D LEU N 12 N3H1s 0.700 1.640 3.874 16.514 13.655 1.209 possible 2211 36 D LEU CA 3 C4H1s 0.770 1.880 3.853 15.881 13.122 1.210 possible 2212 36 D LEU C 1 C3H0s 0.770 1.610 2.418 7.507 8.825 0.851 [OK] 2213 36 D LEU O 16 O1H0u 0.660 1.420 2.426 12.748 16.208 0.787 [OK] 2214 36 D LEU CB 8 C4H2s 0.770 1.880 3.301 22.373 22.951 0.975 possible 2215 36 D LEU CG 4 C4H1b 0.770 1.880 2.904 13.919 14.764 0.943 [OK] 2216 36 D LEU CD1 10 C4H3u 0.770 1.880 3.030 34.131 37.425 0.912 possible 2217 36 D LEU CD2 10 C4H3u 0.770 1.880 5.317 77.817 37.143 2.095 possible 2218 37 D VAL N 12 N3H1s 0.700 1.640 3.063 15.116 13.676 1.105 possible 2219 37 D VAL CA 3 C4H1s 0.770 1.880 3.071 13.538 13.123 1.032 possible 2220 37 D VAL C 1 C3H0s 0.770 1.610 2.167 7.167 8.563 0.837 [OK] 2221 37 D VAL O 16 O1H0u 0.660 1.420 2.886 16.898 16.181 1.044 [OK] 2222 37 D VAL CB 4 C4H1b 0.770 1.880 4.027 17.534 14.598 1.201 possible 2223 37 D VAL CG1 10 C4H3u 0.770 1.880 22.730 -1.000 36.584 -1.000 bad 2224 37 D VAL CG2 10 C4H3u 0.770 1.880 49.541 -1.000 36.332 -1.000 bad 2225 38 D ILE N 12 N3H1s 0.700 1.640 2.445 11.796 13.633 0.865 [OK] 2226 38 D ILE CA 3 C4H1s 0.770 1.880 3.970 16.859 13.007 1.296 possible 2227 38 D ILE C 1 C3H0s 0.770 1.610 2.355 7.411 8.470 0.875 [OK] 2228 38 D ILE O 16 O1H0u 0.660 1.420 4.122 16.342 16.144 1.012 possible 2229 38 D ILE CB 4 C4H1b 0.770 1.880 3.610 15.036 14.227 1.057 possible 2230 38 D ILE CG1 9 C4H2b 0.770 1.880 29.738 -1.000 24.187 -1.000 bad 2231 38 D ILE CG2 10 C4H3u 0.770 1.880 42.547 -1.000 35.961 -1.000 bad 2232 38 D ILE CD1 10 C4H3u 0.770 1.880 22.489 -1.000 38.377 -1.000 bad 2233 39 D VAL N 12 N3H1s 0.700 1.640 2.792 12.398 13.676 0.907 [OK] 2234 39 D VAL CA 3 C4H1s 0.770 1.880 4.007 16.777 13.123 1.278 possible 2235 39 D VAL C 1 C3H0s 0.770 1.610 2.403 7.395 8.563 0.864 [OK] 2236 39 D VAL O 16 O1H0u 0.660 1.420 3.140 16.200 16.181 1.001 possible 2237 39 D VAL CB 4 C4H1b 0.770 1.880 2.821 12.934 14.598 0.886 [OK] 2238 39 D VAL CG1 10 C4H3u 0.770 1.880 3.859 39.109 36.584 1.069 possible 2239 39 D VAL CG2 10 C4H3u 0.770 1.880 29.375 -1.000 36.332 -1.000 bad 2240 40 D LEU N 12 N3H1s 0.700 1.640 2.486 12.622 13.655 0.924 [OK] 2241 40 D LEU CA 3 C4H1s 0.770 1.880 2.919 13.297 13.122 1.013 [OK] 2242 40 D LEU C 1 C3H0s 0.770 1.610 2.724 8.627 8.825 0.978 [OK] 2243 40 D LEU O 16 O1H0u 0.660 1.420 2.572 12.507 16.208 0.772 [OK] 2244 40 D LEU CB 8 C4H2s 0.770 1.880 3.604 24.989 22.951 1.089 possible 2245 40 D LEU CG 4 C4H1b 0.770 1.880 2.832 14.057 14.764 0.952 [OK] 2246 40 D LEU CD1 10 C4H3u 0.770 1.880 5.605 80.604 37.425 2.154 possible 2247 40 D LEU CD2 10 C4H3u 0.770 1.880 3.133 34.306 37.143 0.924 possible 2248 41 D LEU N 12 N3H1s 0.700 1.640 2.756 12.474 13.655 0.913 [OK] 2249 41 D LEU CA 3 C4H1s 0.770 1.880 2.781 13.468 13.122 1.026 [OK] 2250 41 D LEU C 1 C3H0s 0.770 1.610 4.129 8.964 8.825 1.016 possible 2251 41 D LEU O 16 O1H0u 0.660 1.420 4.298 -1.000 16.208 -1.000 bad 2252 41 D LEU CB 8 C4H2s 0.770 1.880 13.858 -1.000 22.951 -1.000 bad 2253 41 D LEU CG 4 C4H1b 0.770 1.880 3.627 17.233 14.764 1.167 possible 2254 41 D LEU CD1 10 C4H3u 0.770 1.880 61.527 -1.000 37.425 -1.000 bad 2255 41 D LEU CD2 10 C4H3u 0.770 1.880 17.799 -1.000 37.143 -1.000 bad 2256 42 D ALA N 12 N3H1s 0.700 1.640 4.533 13.348 14.046 0.950 possible 2257 42 D ALA CA 4 C4H1b 0.770 1.880 12.091 -1.000 14.063 -1.000 bad 2258 42 D ALA C 1 C3H0s 0.770 1.610 3.766 9.385 8.900 1.054 possible 2259 42 D ALA O 16 O1H0u 0.660 1.420 5.222 27.145 16.188 1.677 possible 2260 42 D ALA CB 10 C4H3u 0.770 1.880 33.517 -1.000 36.782 -1.000 bad 2261 43 D GLY N 12 N3H1s 0.700 1.640 4.088 14.792 14.854 0.996 possible 2262 43 D GLY CA 8 C4H2s 0.770 1.880 4.362 34.091 23.688 1.439 possible 2263 43 D GLY C 2 C3H0b 0.770 1.610 2.769 10.151 9.840 1.032 [OK] 2264 43 D GLY O 16 O1H0u 0.660 1.420 2.488 14.720 16.391 0.898 [OK] 2265 44 D SER N 12 N3H1s 0.700 1.640 2.569 12.771 14.103 0.906 [OK] 2266 44 D SER CA 3 C4H1s 0.770 1.880 2.934 14.255 13.476 1.058 [OK] 2267 44 D SER C 1 C3H0s 0.770 1.610 2.732 8.645 8.923 0.969 [OK] 2268 44 D SER O 16 O1H0u 0.660 1.420 2.473 15.641 16.179 0.967 [OK] 2269 44 D SER CB 8 C4H2s 0.770 1.880 2.964 20.918 23.884 0.876 [OK] 2270 44 D SER OG 17 O2H1u 0.660 1.460 2.990 17.275 18.732 0.922 [OK] 2271 45 D TYR N 12 N3H1s 0.700 1.640 2.510 12.599 13.691 0.920 [OK] 2272 45 D TYR CA 3 C4H1s 0.770 1.880 2.536 11.545 13.330 0.866 [OK] 2273 45 D TYR C 1 C3H0s 0.770 1.610 2.727 10.494 8.770 1.197 [OK] 2274 45 D TYR O 16 O1H0u 0.660 1.420 8.662 -1.000 16.124 -1.000 bad 2275 45 D TYR CB 8 C4H2s 0.770 1.880 16.866 -1.000 23.678 -1.000 bad 2276 45 D TYR CG 2 C3H0b 0.770 1.610 4.895 13.212 9.732 1.358 possible 2277 45 D TYR CD1 5 C3H1s 0.770 1.760 3.829 18.827 20.171 0.933 possible 2278 45 D TYR CD2 5 C3H1s 0.770 1.760 18.374 -1.000 20.728 -1.000 bad 2279 45 D TYR CE1 5 C3H1s 0.770 1.760 3.816 25.162 20.675 1.217 possible 2280 45 D TYR CE2 5 C3H1s 0.770 1.760 26.204 -1.000 20.810 -1.000 bad 2281 45 D TYR CZ 2 C3H0b 0.770 1.610 4.262 13.921 9.926 1.402 possible 2282 45 D TYR OH 17 O2H1u 0.660 1.460 35.301 -1.000 19.173 -1.000 bad 2283 46 D LEU N 12 N3H1s 0.700 1.640 2.567 13.150 13.655 0.963 [OK] 2284 46 D LEU CA 3 C4H1s 0.770 1.880 2.677 11.884 13.122 0.906 [OK] 2285 46 D LEU C 1 C3H0s 0.770 1.610 2.386 8.641 8.825 0.979 [OK] 2286 46 D LEU O 16 O1H0u 0.660 1.420 2.996 16.124 16.208 0.995 [OK] 2287 46 D LEU CB 8 C4H2s 0.770 1.880 3.338 22.255 22.951 0.970 possible 2288 46 D LEU CG 4 C4H1b 0.770 1.880 4.598 18.650 14.764 1.263 possible 2289 46 D LEU CD1 10 C4H3u 0.770 1.880 58.056 -1.000 37.425 -1.000 bad 2290 46 D LEU CD2 10 C4H3u 0.770 1.880 7.667 96.670 37.143 2.603 possible 2291 47 D ALA N 12 N3H1s 0.700 1.640 2.340 12.399 14.046 0.883 [OK] 2292 47 D ALA CA 4 C4H1b 0.770 1.880 2.841 15.279 14.063 1.086 [OK] 2293 47 D ALA C 1 C3H0s 0.770 1.610 2.707 8.913 8.900 1.002 [OK] 2294 47 D ALA O 16 O1H0u 0.660 1.420 2.469 14.590 16.188 0.901 [OK] 2295 47 D ALA CB 10 C4H3u 0.770 1.880 3.041 42.062 36.782 1.144 possible 2296 48 D VAL N 12 N3H1s 0.700 1.640 2.803 15.417 13.676 1.127 [OK] 2297 48 D VAL CA 3 C4H1s 0.770 1.880 2.888 12.528 13.123 0.955 [OK] 2298 48 D VAL C 1 C3H0s 0.770 1.610 2.356 7.112 8.563 0.831 [OK] 2299 48 D VAL O 16 O1H0u 0.660 1.420 2.480 12.441 16.181 0.769 [OK] 2300 48 D VAL CB 4 C4H1b 0.770 1.880 2.852 13.631 14.598 0.934 [OK] 2301 48 D VAL CG1 10 C4H3u 0.770 1.880 3.419 36.686 36.584 1.003 possible 2302 48 D VAL CG2 10 C4H3u 0.770 1.880 3.045 29.601 36.332 0.815 possible 2303 49 D LEU N 12 N3H1s 0.700 1.640 2.813 15.186 13.655 1.112 [OK] 2304 49 D LEU CA 3 C4H1s 0.770 1.880 4.864 21.479 13.122 1.637 possible 2305 49 D LEU C 1 C3H0s 0.770 1.610 2.995 10.034 8.825 1.137 [OK] 2306 49 D LEU O 16 O1H0u 0.660 1.420 26.018 -1.000 16.208 -1.000 bad 2307 49 D LEU CB 8 C4H2s 0.770 1.880 16.468 -1.000 22.951 -1.000 bad 2308 49 D LEU CG 4 C4H1b 0.770 1.880 2.829 12.234 14.764 0.829 [OK] 2309 49 D LEU CD1 10 C4H3u 0.770 1.880 32.552 -1.000 37.425 -1.000 bad 2310 49 D LEU CD2 10 C4H3u 0.770 1.880 28.310 -1.000 37.143 -1.000 bad 2311 50 D ALA N 12 N3H1s 0.700 1.640 2.451 11.173 14.046 0.795 [OK] 2312 50 D ALA CA 4 C4H1b 0.770 1.880 5.202 22.620 14.063 1.608 possible 2313 50 D ALA C 1 C3H0s 0.770 1.610 3.531 11.135 8.900 1.251 possible 2314 50 D ALA O 16 O1H0u 0.660 1.420 7.729 47.299 16.188 2.922 possible 2315 50 D ALA CB 10 C4H3u 0.770 1.880 4.010 45.591 36.782 1.239 possible 2316 51 D GLU N 12 N3H1s 0.700 1.640 2.839 11.325 13.615 0.832 [OK] 2317 51 D GLU CA 3 C4H1s 0.770 1.880 3.300 14.373 13.399 1.073 possible 2318 51 D GLU C 1 C3H0s 0.770 1.610 2.996 9.802 8.675 1.130 [OK] 2319 51 D GLU O 16 O1H0u 0.660 1.420 2.871 20.115 16.023 1.255 [OK] 2320 51 D GLU CB 8 C4H2s 0.770 1.880 3.314 24.928 23.529 1.059 possible 2321 51 D GLU CG 8 C4H2s 0.770 1.880 3.041 23.517 23.513 1.000 possible 2322 51 D GLU CD 2 C3H0b 0.770 1.610 2.921 9.779 9.460 1.034 [OK] 2323 51 D GLU OE1 16 O1H0u 0.660 1.420 2.648 18.697 15.999 1.169 [OK] 2324 51 D GLU OE2 16 O1H0u 0.660 1.420 2.858 13.532 17.432 0.776 [OK] 2325 52 D ARG N 12 N3H1s 0.700 1.640 3.241 14.264 13.650 1.045 possible 2326 52 D ARG CA 3 C4H1s 0.770 1.880 2.578 12.203 13.422 0.909 [OK] 2327 52 D ARG C 1 C3H0s 0.770 1.610 2.732 8.044 8.838 0.910 [OK] 2328 52 D ARG O 16 O1H0u 0.660 1.420 17.583 -1.000 16.084 -1.000 bad 2329 52 D ARG CB 8 C4H2s 0.770 1.880 5.651 34.487 23.088 1.494 possible 2330 52 D ARG CG 8 C4H2s 0.770 1.880 22.245 -1.000 23.640 -1.000 bad 2331 52 D ARG CD 8 C4H2s 0.770 1.880 17.004 -1.000 23.300 -1.000 bad 2332 52 D ARG NE 13 N3H1b 0.700 1.640 10.022 -1.000 15.569 -1.000 bad 2333 52 D ARG CZ 2 C3H0b 0.770 1.610 1.814 -1.000 9.747 -1.000 bad 2334 52 D ARG NH1 15 N3H2u 0.700 1.640 20.428 -1.000 22.782 -1.000 bad 2335 52 D ARG NH2 15 N3H2u 0.700 1.640 43.431 -1.000 23.810 -1.000 bad 2336 53 D GLY N 12 N3H1s 0.700 1.640 6.427 35.199 14.854 2.370 possible 2337 53 D GLY CA 8 C4H2s 0.770 1.880 35.870 -1.000 23.688 -1.000 bad 2338 53 D GLY C 2 C3H0b 0.770 1.610 1.672 -1.000 9.840 -1.000 bad 2339 53 D GLY O 16 O1H0u 0.660 1.420 29.189 -1.000 16.391 -1.000 bad 2340 54 D ALA N 12 N3H1s 0.700 1.640 6.145 -1.000 14.046 -1.000 bad 2341 54 D ALA CA 4 C4H1b 0.770 1.880 9.906 -1.000 14.063 -1.000 bad 2342 54 D ALA C 1 C3H0s 0.770 1.610 1.733 -1.000 8.900 -1.000 bad 2343 54 D ALA O 16 O1H0u 0.660 1.420 12.854 -1.000 16.188 -1.000 bad 2344 54 D ALA CB 10 C4H3u 0.770 1.880 21.891 -1.000 36.782 -1.000 bad 2345 55 D PRO N 11 N3H0u 0.700 1.640 0.730 -1.000 8.823 -1.000 bad 2346 55 D PRO CA 4 C4H1b 0.770 1.880 15.802 -1.000 13.955 -1.000 bad 2347 55 D PRO C 1 C3H0s 0.770 1.610 4.471 12.337 8.812 1.400 possible 2348 55 D PRO O 16 O1H0u 0.660 1.420 27.473 -1.000 16.169 -1.000 bad 2349 55 D PRO CB 9 C4H2b 0.770 1.880 33.622 -1.000 25.563 -1.000 bad 2350 55 D PRO CG 9 C4H2b 0.770 1.880 43.906 -1.000 25.832 -1.000 bad 2351 55 D PRO CD 8 C4H2s 0.770 1.880 23.879 -1.000 23.836 -1.000 bad 2352 56 D GLY N 12 N3H1s 0.700 1.640 3.351 18.850 14.854 1.269 possible 2353 56 D GLY CA 8 C4H2s 0.770 1.880 3.568 28.645 23.688 1.209 possible 2354 56 D GLY C 2 C3H0b 0.770 1.610 3.709 11.600 9.840 1.179 possible 2355 56 D GLY O 16 O1H0u 0.660 1.420 14.641 -1.000 16.391 -1.000 bad 2356 57 D ALA N 12 N3H1s 0.700 1.640 4.982 27.960 14.046 1.991 possible 2357 57 D ALA CA 4 C4H1b 0.770 1.880 14.530 -1.000 14.063 -1.000 bad 2358 57 D ALA C 1 C3H0s 0.770 1.610 4.418 12.303 8.900 1.382 possible 2359 57 D ALA O 16 O1H0u 0.660 1.420 3.645 17.379 16.188 1.074 possible 2360 57 D ALA CB 10 C4H3u 0.770 1.880 20.076 -1.000 36.782 -1.000 bad 2361 58 D GLN N 12 N3H1s 0.700 1.640 5.416 -1.000 13.616 -1.000 bad 2362 58 D GLN CA 3 C4H1s 0.770 1.880 6.179 18.825 13.334 1.412 possible 2363 58 D GLN C 1 C3H0s 0.770 1.610 2.739 9.126 8.787 1.039 [OK] 2364 58 D GLN O 16 O1H0u 0.660 1.420 2.600 15.872 15.993 0.992 [OK] 2365 58 D GLN CB 8 C4H2s 0.770 1.880 5.425 33.598 23.275 1.444 possible 2366 58 D GLN CG 8 C4H2s 0.770 1.880 7.198 50.231 23.465 2.141 possible 2367 58 D GLN CD 2 C3H0b 0.770 1.610 5.520 15.844 9.659 1.640 possible 2368 58 D GLN OE1 16 O1H0u 0.660 1.420 41.507 -1.000 17.091 -1.000 bad 2369 58 D GLN NE2 15 N3H2u 0.700 1.640 30.084 -1.000 24.150 -1.000 bad 2370 59 D LEU N 12 N3H1s 0.700 1.640 2.802 15.382 13.655 1.126 [OK] 2371 59 D LEU CA 3 C4H1s 0.770 1.880 3.015 15.264 13.122 1.163 possible 2372 59 D LEU C 1 C3H0s 0.770 1.610 2.713 10.110 8.825 1.146 [OK] 2373 59 D LEU O 16 O1H0u 0.660 1.420 2.650 16.241 16.208 1.002 [OK] 2374 59 D LEU CB 8 C4H2s 0.770 1.880 3.115 22.853 22.951 0.996 possible 2375 59 D LEU CG 4 C4H1b 0.770 1.880 3.049 17.966 14.764 1.217 possible 2376 59 D LEU CD1 10 C4H3u 0.770 1.880 3.038 33.172 37.425 0.886 possible 2377 59 D LEU CD2 10 C4H3u 0.770 1.880 3.140 38.062 37.143 1.025 possible 2378 60 D ILE N 12 N3H1s 0.700 1.640 2.436 9.673 13.633 0.709 [OK] 2379 60 D ILE CA 3 C4H1s 0.770 1.880 2.684 13.256 13.007 1.019 [OK] 2380 60 D ILE C 1 C3H0s 0.770 1.610 2.302 8.236 8.470 0.972 [OK] 2381 60 D ILE O 16 O1H0u 0.660 1.420 2.624 15.789 16.144 0.978 [OK] 2382 60 D ILE CB 4 C4H1b 0.770 1.880 3.757 17.208 14.227 1.210 possible 2383 60 D ILE CG1 9 C4H2b 0.770 1.880 27.854 -1.000 24.187 -1.000 bad 2384 60 D ILE CG2 10 C4H3u 0.770 1.880 5.808 49.931 35.961 1.388 possible 2385 61 D THR N 12 N3H1s 0.700 1.640 2.539 13.442 13.832 0.972 [OK] 2386 61 D THR CA 3 C4H1s 0.770 1.880 2.939 13.706 13.099 1.046 [OK] 2387 61 D THR C 1 C3H0s 0.770 1.610 2.213 7.717 8.738 0.883 [OK] 2388 61 D THR O 16 O1H0u 0.660 1.420 2.438 13.827 16.020 0.863 [OK] 2389 61 D THR CB 4 C4H1b 0.770 1.880 3.413 14.723 14.829 0.993 possible 2390 61 D THR OG1 17 O2H1u 0.660 1.460 10.333 -1.000 18.123 -1.000 bad 2391 61 D THR CG2 10 C4H3u 0.770 1.880 33.677 -1.000 36.542 -1.000 bad 2392 62 D TYR N 12 N3H1s 0.700 1.640 3.365 15.671 13.691 1.145 possible 2393 62 D TYR CA 3 C4H1s 0.770 1.880 3.003 13.208 13.330 0.991 possible 2394 62 D TYR C 1 C3H0s 0.770 1.610 2.905 8.732 8.770 0.996 [OK] 2395 62 D TYR O 16 O1H0u 0.660 1.420 2.757 17.996 16.124 1.116 [OK] 2396 62 D TYR CB 8 C4H2s 0.770 1.880 5.231 31.470 23.678 1.329 possible 2397 62 D TYR CG 2 C3H0b 0.770 1.610 2.662 9.744 9.732 1.001 [OK] 2398 62 D TYR CD1 5 C3H1s 0.770 1.760 2.834 16.881 20.171 0.837 [OK] 2399 62 D TYR CD2 5 C3H1s 0.770 1.760 17.126 -1.000 20.728 -1.000 bad 2400 62 D TYR CE1 5 C3H1s 0.770 1.760 3.242 20.378 20.675 0.986 possible 2401 62 D TYR CE2 5 C3H1s 0.770 1.760 24.035 -1.000 20.810 -1.000 bad 2402 62 D TYR CZ 2 C3H0b 0.770 1.610 4.443 13.234 9.926 1.333 possible 2403 62 D TYR OH 17 O2H1u 0.660 1.460 26.265 -1.000 19.173 -1.000 bad 2404 63 D PRO N 11 N3H0u 0.700 1.640 3.181 9.553 8.823 1.083 possible 2405 63 D PRO CA 4 C4H1b 0.770 1.880 4.002 21.091 13.955 1.511 possible 2406 63 D PRO C 1 C3H0s 0.770 1.610 3.896 10.534 8.812 1.195 possible 2407 63 D PRO O 16 O1H0u 0.660 1.420 5.190 46.387 16.169 2.869 possible 2408 63 D PRO CB 9 C4H2b 0.770 1.880 34.933 -1.000 25.563 -1.000 bad 2409 63 D PRO CG 9 C4H2b 0.770 1.880 38.006 -1.000 25.832 -1.000 bad 2410 63 D PRO CD 8 C4H2s 0.770 1.880 5.843 30.136 23.836 1.264 possible 2411 64 D ARG N 12 N3H1s 0.700 1.640 3.486 13.234 13.650 0.970 possible 2412 64 D ARG CA 3 C4H1s 0.770 1.880 3.805 19.306 13.422 1.438 possible 2413 64 D ARG C 1 C3H0s 0.770 1.610 2.742 9.253 8.838 1.047 [OK] 2414 64 D ARG O 16 O1H0u 0.660 1.420 2.867 19.040 16.084 1.184 [OK] 2415 64 D ARG CB 8 C4H2s 0.770 1.880 4.082 41.680 23.088 1.805 possible 2416 65 D ALA N 12 N3H1s 0.700 1.640 2.677 13.500 14.046 0.961 [OK] 2417 65 D ALA CA 4 C4H1b 0.770 1.880 2.779 13.453 14.063 0.957 [OK] 2418 65 D ALA C 1 C3H0s 0.770 1.610 2.173 8.247 8.900 0.927 [OK] 2419 65 D ALA O 16 O1H0u 0.660 1.420 2.339 13.028 16.188 0.805 [OK] 2420 65 D ALA CB 10 C4H3u 0.770 1.880 3.093 34.509 36.782 0.938 possible 2421 66 D LEU N 12 N3H1s 0.700 1.640 2.584 14.089 13.655 1.032 [OK] 2422 66 D LEU CA 3 C4H1s 0.770 1.880 3.385 12.787 13.122 0.974 possible 2423 66 D LEU C 1 C3H0s 0.770 1.610 2.955 8.744 8.825 0.991 [OK] 2424 66 D LEU O 16 O1H0u 0.660 1.420 3.031 14.422 16.208 0.890 possible 2425 66 D LEU CB 8 C4H2s 0.770 1.880 4.668 32.657 22.951 1.423 possible 2426 66 D LEU CG 4 C4H1b 0.770 1.880 3.181 16.833 14.764 1.140 possible 2427 66 D LEU CD1 10 C4H3u 0.770 1.880 48.808 -1.000 37.425 -1.000 bad 2428 66 D LEU CD2 10 C4H3u 0.770 1.880 3.757 33.237 37.143 0.895 possible 2429 67 D TRP N 12 N3H1s 0.700 1.640 4.599 20.238 13.791 1.468 possible 2430 67 D TRP CA 3 C4H1s 0.770 1.880 4.973 19.247 13.377 1.439 possible 2431 67 D TRP C 1 C3H0s 0.770 1.610 2.466 8.525 8.724 0.977 [OK] 2432 67 D TRP O 16 O1H0u 0.660 1.420 3.055 18.875 15.951 1.183 possible 2433 67 D TRP CB 8 C4H2s 0.770 1.880 4.781 38.202 24.004 1.591 possible 2434 67 D TRP CG 2 C3H0b 0.770 1.610 2.122 8.570 9.965 0.860 [OK] 2435 67 D TRP CD1 5 C3H1s 0.770 1.760 3.265 25.036 20.874 1.199 possible 2436 67 D TRP CD2 2 C3H0b 0.770 1.610 2.694 8.970 10.097 0.888 [OK] 2437 67 D TRP NE1 13 N3H1b 0.700 1.640 3.109 22.227 16.969 1.310 possible 2438 67 D TRP CE2 2 C3H0b 0.770 1.610 2.698 10.726 9.889 1.085 [OK] 2439 67 D TRP CE3 6 C3H1b 0.770 1.760 4.554 29.242 20.448 1.430 possible 2440 67 D TRP CZ2 6 C3H1b 0.770 1.760 2.843 21.533 21.012 1.025 [OK] 2441 67 D TRP CZ3 6 C3H1b 0.770 1.760 3.059 24.715 21.516 1.149 possible 2442 67 D TRP CH2 6 C3H1b 0.770 1.760 3.055 21.801 21.339 1.022 possible 2443 68 D TRP N 12 N3H1s 0.700 1.640 2.658 12.594 13.791 0.913 [OK] 2444 68 D TRP CA 3 C4H1s 0.770 1.880 3.654 18.066 13.377 1.351 possible 2445 68 D TRP C 1 C3H0s 0.770 1.610 2.205 7.960 8.724 0.912 [OK] 2446 68 D TRP O 16 O1H0u 0.660 1.420 2.689 14.185 15.951 0.889 [OK] 2447 68 D TRP CB 8 C4H2s 0.770 1.880 2.900 22.029 24.004 0.918 [OK] 2448 68 D TRP CG 2 C3H0b 0.770 1.610 2.409 8.723 9.965 0.875 [OK] 2449 68 D TRP CD1 5 C3H1s 0.770 1.760 3.555 26.033 20.874 1.247 possible 2450 68 D TRP CD2 2 C3H0b 0.770 1.610 2.652 10.018 10.097 0.992 [OK] 2451 68 D TRP NE1 13 N3H1b 0.700 1.640 2.316 13.896 16.969 0.819 [OK] 2452 68 D TRP CE2 2 C3H0b 0.770 1.610 2.651 9.857 9.889 0.997 [OK] 2453 68 D TRP CE3 6 C3H1b 0.770 1.760 2.795 21.656 20.448 1.059 [OK] 2454 68 D TRP CZ2 6 C3H1b 0.770 1.760 2.740 19.696 21.012 0.937 [OK] 2455 68 D TRP CZ3 6 C3H1b 0.770 1.760 2.991 24.153 21.516 1.123 [OK] 2456 68 D TRP CH2 6 C3H1b 0.770 1.760 2.885 21.490 21.339 1.007 [OK] 2457 69 D SER N 12 N3H1s 0.700 1.640 2.269 10.506 14.103 0.745 [OK] 2458 69 D SER CA 3 C4H1s 0.770 1.880 2.918 14.653 13.476 1.087 [OK] 2459 69 D SER C 1 C3H0s 0.770 1.610 2.171 8.016 8.923 0.898 [OK] 2460 69 D SER O 16 O1H0u 0.660 1.420 2.177 12.999 16.179 0.803 [OK] 2461 69 D SER CB 8 C4H2s 0.770 1.880 3.373 23.528 23.884 0.985 possible 2462 69 D SER OG 17 O2H1u 0.660 1.460 2.684 21.968 18.732 1.173 [OK] 2463 70 D VAL N 12 N3H1s 0.700 1.640 2.591 13.165 13.676 0.963 [OK] 2464 70 D VAL CA 3 C4H1s 0.770 1.880 3.726 15.420 13.123 1.175 possible 2465 70 D VAL C 1 C3H0s 0.770 1.610 2.205 7.667 8.563 0.895 [OK] 2466 70 D VAL O 16 O1H0u 0.660 1.420 3.302 14.371 16.181 0.888 possible 2467 70 D VAL CB 4 C4H1b 0.770 1.880 3.117 15.508 14.598 1.062 possible 2468 70 D VAL CG1 10 C4H3u 0.770 1.880 4.747 50.317 36.584 1.375 possible 2469 70 D VAL CG2 10 C4H3u 0.770 1.880 6.403 81.150 36.332 2.234 possible 2470 71 D GLU N 12 N3H1s 0.700 1.640 3.002 15.311 13.615 1.125 possible 2471 71 D GLU CA 3 C4H1s 0.770 1.880 3.233 14.505 13.399 1.083 possible 2472 71 D GLU C 1 C3H0s 0.770 1.610 2.765 8.655 8.675 0.998 [OK] 2473 71 D GLU O 16 O1H0u 0.660 1.420 2.483 14.974 16.023 0.935 [OK] 2474 71 D GLU CB 8 C4H2s 0.770 1.880 3.817 58.396 23.529 2.482 possible 2475 72 D THR N 12 N3H1s 0.700 1.640 3.061 14.104 13.832 1.020 possible 2476 72 D THR CA 3 C4H1s 0.770 1.880 3.163 15.647 13.099 1.195 possible 2477 72 D THR C 1 C3H0s 0.770 1.610 2.418 7.806 8.738 0.893 [OK] 2478 72 D THR O 16 O1H0u 0.660 1.420 2.669 17.014 16.020 1.062 [OK] 2479 72 D THR CB 4 C4H1b 0.770 1.880 2.897 13.930 14.829 0.939 [OK] 2480 72 D THR OG1 17 O2H1u 0.660 1.460 2.904 18.091 18.123 0.998 [OK] 2481 72 D THR CG2 10 C4H3u 0.770 1.880 3.163 35.153 36.542 0.962 possible 2482 73 D ALA N 12 N3H1s 0.700 1.640 2.433 12.297 14.046 0.875 [OK] 2483 73 D ALA CA 4 C4H1b 0.770 1.880 2.819 14.234 14.063 1.012 [OK] 2484 73 D ALA C 1 C3H0s 0.770 1.610 3.092 8.706 8.900 0.978 possible 2485 73 D ALA O 16 O1H0u 0.660 1.420 3.206 23.295 16.188 1.439 possible 2486 73 D ALA CB 10 C4H3u 0.770 1.880 4.182 42.250 36.782 1.149 possible 2487 74 D THR N 12 N3H1s 0.700 1.640 3.218 12.609 13.832 0.912 possible 2488 74 D THR CA 3 C4H1s 0.770 1.880 3.377 16.368 13.099 1.250 possible 2489 74 D THR C 1 C3H0s 0.770 1.610 2.547 7.915 8.738 0.906 [OK] 2490 74 D THR O 16 O1H0u 0.660 1.420 4.108 25.683 16.020 1.603 possible 2491 74 D THR CB 4 C4H1b 0.770 1.880 2.480 11.406 14.829 0.769 [OK] 2492 74 D THR OG1 17 O2H1u 0.660 1.460 4.100 30.697 18.123 1.694 possible 2493 74 D THR CG2 10 C4H3u 0.770 1.880 3.224 30.296 36.542 0.829 possible 2494 75 D THR N 12 N3H1s 0.700 1.640 2.154 10.281 13.832 0.743 [OK] 2495 75 D THR CA 3 C4H1s 0.770 1.880 2.575 12.540 13.099 0.957 [OK] 2496 75 D THR C 1 C3H0s 0.770 1.610 2.296 8.571 8.738 0.981 [OK] 2497 75 D THR O 16 O1H0u 0.660 1.420 2.625 12.901 16.020 0.805 [OK] 2498 75 D THR CB 4 C4H1b 0.770 1.880 2.826 14.975 14.829 1.010 [OK] 2499 75 D THR OG1 17 O2H1u 0.660 1.460 4.002 19.962 18.123 1.101 possible 2500 75 D THR CG2 10 C4H3u 0.770 1.880 5.331 59.816 36.542 1.637 possible 2501 76 D VAL N 12 N3H1s 0.700 1.640 2.392 11.730 13.676 0.858 [OK] 2502 76 D VAL CA 3 C4H1s 0.770 1.880 2.591 12.840 13.123 0.978 [OK] 2503 76 D VAL C 1 C3H0s 0.770 1.610 2.576 9.097 8.563 1.062 [OK] 2504 76 D VAL O 16 O1H0u 0.660 1.420 2.475 13.794 16.181 0.852 [OK] 2505 76 D VAL CB 4 C4H1b 0.770 1.880 3.135 17.871 14.598 1.224 possible 2506 76 D VAL CG1 10 C4H3u 0.770 1.880 3.196 38.803 36.584 1.061 possible 2507 76 D VAL CG2 10 C4H3u 0.770 1.880 2.843 27.475 36.332 0.756 [OK] 2508 77 D GLY N 12 N3H1s 0.700 1.640 2.872 16.593 14.854 1.117 [OK] 2509 77 D GLY CA 8 C4H2s 0.770 1.880 3.301 25.164 23.688 1.062 possible 2510 77 D GLY C 2 C3H0b 0.770 1.610 2.476 8.866 9.840 0.901 [OK] 2511 77 D GLY O 16 O1H0u 0.660 1.420 2.216 13.935 16.391 0.850 [OK] 2512 78 D TYR N 12 N3H1s 0.700 1.640 3.495 21.130 13.691 1.543 possible 2513 78 D TYR CA 3 C4H1s 0.770 1.880 2.698 13.436 13.330 1.008 [OK] 2514 78 D TYR C 1 C3H0s 0.770 1.610 2.413 7.974 8.770 0.909 [OK] 2515 78 D TYR O 16 O1H0u 0.660 1.420 5.572 26.154 16.124 1.622 possible 2516 78 D TYR CB 8 C4H2s 0.770 1.880 3.156 25.254 23.678 1.067 possible 2517 78 D TYR CG 2 C3H0b 0.770 1.610 2.664 10.672 9.732 1.097 [OK] 2518 78 D TYR CD1 5 C3H1s 0.770 1.760 2.782 20.987 20.171 1.040 [OK] 2519 78 D TYR CD2 5 C3H1s 0.770 1.760 2.997 24.947 20.728 1.204 [OK] 2520 78 D TYR CE1 5 C3H1s 0.770 1.760 3.446 26.274 20.675 1.271 possible 2521 78 D TYR CE2 5 C3H1s 0.770 1.760 3.065 24.854 20.810 1.194 possible 2522 78 D TYR CZ 2 C3H0b 0.770 1.610 2.806 10.797 9.926 1.088 [OK] 2523 78 D TYR OH 17 O2H1u 0.660 1.460 2.709 21.146 19.173 1.103 [OK] 2524 79 D GLY N 12 N3H1s 0.700 1.640 3.247 17.752 14.854 1.195 possible 2525 79 D GLY CA 8 C4H2s 0.770 1.880 5.547 28.890 23.688 1.220 possible 2526 79 D GLY C 2 C3H0b 0.770 1.610 4.889 14.689 9.840 1.493 possible 2527 79 D GLY O 16 O1H0u 0.660 1.420 12.440 -1.000 16.391 -1.000 bad 2528 80 D ASP N 12 N3H1s 0.700 1.640 4.710 18.461 13.895 1.329 possible 2529 80 D ASP CA 3 C4H1s 0.770 1.880 5.364 27.384 13.377 2.047 possible 2530 80 D ASP C 1 C3H0s 0.770 1.610 2.645 8.157 8.816 0.925 [OK] 2531 80 D ASP O 16 O1H0u 0.660 1.420 17.272 -1.000 16.091 -1.000 bad 2532 80 D ASP CB 8 C4H2s 0.770 1.880 3.766 24.526 23.481 1.045 possible 2533 80 D ASP CG 2 C3H0b 0.770 1.610 2.678 9.110 9.422 0.967 [OK] 2534 80 D ASP OD1 16 O1H0u 0.660 1.420 3.120 26.507 15.505 1.710 possible 2535 80 D ASP OD2 16 O1H0u 0.660 1.420 4.362 26.699 16.324 1.636 possible 2536 81 D LEU N 12 N3H1s 0.700 1.640 2.726 13.963 13.655 1.023 [OK] 2537 81 D LEU CA 3 C4H1s 0.770 1.880 3.232 14.985 13.122 1.142 possible 2538 81 D LEU C 1 C3H0s 0.770 1.610 2.402 8.465 8.825 0.959 [OK] 2539 81 D LEU O 16 O1H0u 0.660 1.420 3.068 21.603 16.208 1.333 possible 2540 81 D LEU CB 8 C4H2s 0.770 1.880 3.428 26.795 22.951 1.167 possible 2541 81 D LEU CG 4 C4H1b 0.770 1.880 3.347 12.242 14.764 0.829 possible 2542 81 D LEU CD1 10 C4H3u 0.770 1.880 3.893 50.528 37.425 1.350 possible 2543 81 D LEU CD2 10 C4H3u 0.770 1.880 4.662 50.296 37.143 1.354 possible 2544 82 D TYR N 12 N3H1s 0.700 1.640 2.831 16.891 13.691 1.234 [OK] 2545 82 D TYR CA 3 C4H1s 0.770 1.880 2.576 12.979 13.330 0.974 [OK] 2546 82 D TYR C 1 C3H0s 0.770 1.610 2.188 8.106 8.770 0.924 [OK] 2547 82 D TYR O 16 O1H0u 0.660 1.420 2.821 20.438 16.124 1.268 [OK] 2548 82 D TYR CB 8 C4H2s 0.770 1.880 2.842 21.206 23.678 0.896 [OK] 2549 82 D TYR CG 2 C3H0b 0.770 1.610 2.786 10.303 9.732 1.059 [OK] 2550 82 D TYR CD1 5 C3H1s 0.770 1.760 3.081 22.086 20.171 1.095 possible 2551 82 D TYR CD2 5 C3H1s 0.770 1.760 2.950 24.894 20.728 1.201 [OK] 2552 82 D TYR CE1 5 C3H1s 0.770 1.760 5.671 42.111 20.675 2.037 possible 2553 82 D TYR CE2 5 C3H1s 0.770 1.760 4.770 31.641 20.810 1.520 possible 2554 82 D TYR CZ 2 C3H0b 0.770 1.610 3.434 12.123 9.926 1.221 possible 2555 82 D TYR OH 17 O2H1u 0.660 1.460 39.044 -1.000 19.173 -1.000 bad 2556 83 D PRO N 11 N3H0u 0.700 1.640 2.392 7.565 8.823 0.857 [OK] 2557 83 D PRO CA 4 C4H1b 0.770 1.880 2.326 10.779 13.955 0.772 [OK] 2558 83 D PRO C 1 C3H0s 0.770 1.610 2.342 8.827 8.812 1.002 [OK] 2559 83 D PRO O 16 O1H0u 0.660 1.420 2.460 16.781 16.169 1.038 [OK] 2560 83 D PRO CB 9 C4H2b 0.770 1.880 3.041 24.072 25.563 0.942 possible 2561 83 D PRO CG 9 C4H2b 0.770 1.880 2.711 21.034 25.832 0.814 [OK] 2562 83 D PRO CD 8 C4H2s 0.770 1.880 2.807 23.149 23.836 0.971 [OK] 2563 84 D VAL N 12 N3H1s 0.700 1.640 2.443 11.033 13.676 0.807 [OK] 2564 84 D VAL CA 3 C4H1s 0.770 1.880 2.564 12.278 13.123 0.936 [OK] 2565 84 D VAL C 1 C3H0s 0.770 1.610 3.375 9.853 8.563 1.151 possible 2566 84 D VAL O 16 O1H0u 0.660 1.420 17.712 -1.000 16.181 -1.000 bad 2567 84 D VAL CB 4 C4H1b 0.770 1.880 3.889 21.107 14.598 1.446 possible 2568 84 D VAL CG1 10 C4H3u 0.770 1.880 7.282 146.342 36.584 4.000 possible 2569 84 D VAL CG2 10 C4H3u 0.770 1.880 4.860 50.401 36.332 1.387 possible 2570 85 D THR N 12 N3H1s 0.700 1.640 3.379 13.253 13.832 0.958 possible 2571 85 D THR CA 3 C4H1s 0.770 1.880 5.693 22.103 13.099 1.687 possible 2572 85 D THR C 1 C3H0s 0.770 1.610 2.673 8.378 8.738 0.959 [OK] 2573 85 D THR O 16 O1H0u 0.660 1.420 2.271 12.452 16.020 0.777 [OK] 2574 85 D THR CB 4 C4H1b 0.770 1.880 2.621 13.287 14.829 0.896 [OK] 2575 85 D THR OG1 17 O2H1u 0.660 1.460 3.058 19.817 18.123 1.093 possible 2576 85 D THR CG2 10 C4H3u 0.770 1.880 29.148 -1.000 36.542 -1.000 bad 2577 86 D LEU N 12 N3H1s 0.700 1.640 7.956 39.590 13.655 2.899 possible 2578 86 D LEU CA 3 C4H1s 0.770 1.880 3.749 15.681 13.122 1.195 possible 2579 86 D LEU C 1 C3H0s 0.770 1.610 2.306 7.708 8.825 0.873 [OK] 2580 86 D LEU O 16 O1H0u 0.660 1.420 4.071 21.505 16.208 1.327 possible 2581 86 D LEU CB 8 C4H2s 0.770 1.880 16.848 -1.000 22.951 -1.000 bad 2582 86 D LEU CG 4 C4H1b 0.770 1.880 5.248 21.766 14.764 1.474 possible 2583 86 D LEU CD1 10 C4H3u 0.770 1.880 52.640 -1.000 37.425 -1.000 bad 2584 86 D LEU CD2 10 C4H3u 0.770 1.880 49.298 -1.000 37.143 -1.000 bad 2585 87 D TRP N 12 N3H1s 0.700 1.640 3.809 14.867 13.791 1.078 possible 2586 87 D TRP CA 3 C4H1s 0.770 1.880 3.161 13.972 13.377 1.044 possible 2587 87 D TRP C 1 C3H0s 0.770 1.610 2.814 8.660 8.724 0.993 [OK] 2588 87 D TRP O 16 O1H0u 0.660 1.420 3.240 14.187 15.951 0.889 possible 2589 87 D TRP CB 8 C4H2s 0.770 1.880 4.172 33.318 24.004 1.388 possible 2590 87 D TRP CG 2 C3H0b 0.770 1.610 5.742 18.292 9.965 1.836 possible 2591 87 D TRP CD1 5 C3H1s 0.770 1.760 34.672 -1.000 20.874 -1.000 bad 2592 87 D TRP CD2 2 C3H0b 0.770 1.610 7.018 20.772 10.097 2.057 possible 2593 87 D TRP NE1 13 N3H1b 0.700 1.640 28.692 -1.000 16.969 -1.000 bad 2594 87 D TRP CE2 2 C3H0b 0.770 1.610 2.678 -1.000 9.889 -1.000 bad 2595 87 D TRP CE3 6 C3H1b 0.770 1.760 7.016 26.618 20.448 1.302 possible 2596 87 D TRP CZ2 6 C3H1b 0.770 1.760 34.918 -1.000 21.012 -1.000 bad 2597 87 D TRP CZ3 6 C3H1b 0.770 1.760 9.865 -1.000 21.516 -1.000 bad 2598 87 D TRP CH2 6 C3H1b 0.770 1.760 35.322 -1.000 21.339 -1.000 bad 2599 88 D GLY N 12 N3H1s 0.700 1.640 2.740 13.932 14.854 0.938 [OK] 2600 88 D GLY CA 8 C4H2s 0.770 1.880 3.041 27.912 23.688 1.178 possible 2601 88 D GLY C 2 C3H0b 0.770 1.610 2.325 7.868 9.840 0.800 [OK] 2602 88 D GLY O 16 O1H0u 0.660 1.420 2.584 16.768 16.391 1.023 [OK] 2603 89 D ARG N 12 N3H1s 0.700 1.640 2.279 10.946 13.650 0.802 [OK] 2604 89 D ARG CA 3 C4H1s 0.770 1.880 2.491 12.230 13.422 0.911 [OK] 2605 89 D ARG C 1 C3H0s 0.770 1.610 4.083 9.312 8.838 1.054 possible 2606 89 D ARG O 16 O1H0u 0.660 1.420 3.899 17.765 16.084 1.104 possible 2607 89 D ARG CB 8 C4H2s 0.770 1.880 5.325 35.577 23.088 1.541 possible 2608 89 D ARG CG 8 C4H2s 0.770 1.880 3.193 22.933 23.640 0.970 possible 2609 89 D ARG CD 8 C4H2s 0.770 1.880 3.869 27.397 23.300 1.176 possible 2610 89 D ARG NE 13 N3H1b 0.700 1.640 2.688 14.008 15.569 0.900 [OK] 2611 89 D ARG CZ 2 C3H0b 0.770 1.610 2.628 9.195 9.747 0.943 [OK] 2612 89 D ARG NH1 15 N3H2u 0.700 1.640 5.534 65.033 22.782 2.855 possible 2613 89 D ARG NH2 15 N3H2u 0.700 1.640 4.642 41.650 23.810 1.749 possible 2614 90 D CYS N 12 N3H1s 0.700 1.640 4.055 13.803 13.981 0.987 possible 2615 90 D CYS CA 3 C4H1s 0.770 1.880 4.340 19.254 13.656 1.410 possible 2616 90 D CYS C 1 C3H0s 0.770 1.610 3.158 9.034 8.897 1.015 possible 2617 90 D CYS O 16 O1H0u 0.660 1.420 3.338 16.056 16.543 0.971 possible 2618 90 D CYS CB 9 C4H2b 0.770 1.880 7.304 55.936 23.536 2.377 possible 2619 90 D CYS SG 20 S2H1u 1.040 1.770 51.727 -1.000 34.603 -1.000 bad 2620 91 D VAL N 12 N3H1s 0.700 1.640 4.038 15.444 13.676 1.129 possible 2621 91 D VAL CA 3 C4H1s 0.770 1.880 4.039 18.797 13.123 1.432 possible 2622 91 D VAL C 1 C3H0s 0.770 1.610 2.195 7.899 8.563 0.922 [OK] 2623 91 D VAL O 16 O1H0u 0.660 1.420 2.833 15.849 16.181 0.979 [OK] 2624 91 D VAL CB 4 C4H1b 0.770 1.880 2.762 14.842 14.598 1.017 [OK] 2625 91 D VAL CG1 10 C4H3u 0.770 1.880 4.357 40.642 36.584 1.111 possible 2626 91 D VAL CG2 10 C4H3u 0.770 1.880 5.362 55.738 36.332 1.534 possible 2627 92 D ALA N 12 N3H1s 0.700 1.640 2.377 12.402 14.046 0.883 [OK] 2628 92 D ALA CA 4 C4H1b 0.770 1.880 2.579 12.236 14.063 0.870 [OK] 2629 92 D ALA C 1 C3H0s 0.770 1.610 2.389 8.361 8.900 0.939 [OK] 2630 92 D ALA O 16 O1H0u 0.660 1.420 2.256 11.971 16.188 0.740 [OK] 2631 92 D ALA CB 10 C4H3u 0.770 1.880 3.129 33.232 36.782 0.903 possible 2632 93 D VAL N 12 N3H1s 0.700 1.640 2.925 13.543 13.676 0.990 [OK] 2633 93 D VAL CA 3 C4H1s 0.770 1.880 3.597 15.025 13.123 1.145 possible 2634 93 D VAL C 1 C3H0s 0.770 1.610 2.288 6.934 8.563 0.810 [OK] 2635 93 D VAL O 16 O1H0u 0.660 1.420 3.305 14.338 16.181 0.886 possible 2636 93 D VAL CB 4 C4H1b 0.770 1.880 3.858 15.812 14.598 1.083 possible 2637 93 D VAL CG1 10 C4H3u 0.770 1.880 34.996 -1.000 36.584 -1.000 bad 2638 93 D VAL CG2 10 C4H3u 0.770 1.880 6.799 76.474 36.332 2.105 possible 2639 94 D VAL N 12 N3H1s 0.700 1.640 2.634 12.999 13.676 0.951 [OK] 2640 94 D VAL CA 3 C4H1s 0.770 1.880 3.698 16.959 13.123 1.292 possible 2641 94 D VAL C 1 C3H0s 0.770 1.610 2.244 6.956 8.563 0.812 [OK] 2642 94 D VAL O 16 O1H0u 0.660 1.420 3.081 15.493 16.181 0.958 possible 2643 94 D VAL CB 4 C4H1b 0.770 1.880 3.871 15.416 14.598 1.056 possible 2644 94 D VAL CG1 10 C4H3u 0.770 1.880 28.520 -1.000 36.584 -1.000 bad 2645 94 D VAL CG2 10 C4H3u 0.770 1.880 51.236 -1.000 36.332 -1.000 bad 2646 95 D VAL N 12 N3H1s 0.700 1.640 3.033 12.461 13.676 0.911 possible 2647 95 D VAL CA 3 C4H1s 0.770 1.880 2.764 12.770 13.123 0.973 [OK] 2648 95 D VAL C 1 C3H0s 0.770 1.610 2.180 8.186 8.563 0.956 [OK] 2649 95 D VAL O 16 O1H0u 0.660 1.420 2.603 17.238 16.181 1.065 [OK] 2650 95 D VAL CB 4 C4H1b 0.770 1.880 3.304 19.198 14.598 1.315 possible 2651 95 D VAL CG1 10 C4H3u 0.770 1.880 2.936 27.365 36.584 0.748 [OK] 2652 95 D VAL CG2 10 C4H3u 0.770 1.880 3.078 35.400 36.332 0.974 possible 2653 96 D MET N 12 N3H1s 0.700 1.640 2.210 10.710 13.564 0.790 [OK] 2654 96 D MET CA 3 C4H1s 0.770 1.880 3.024 14.096 13.231 1.065 possible 2655 96 D MET C 1 C3H0s 0.770 1.610 2.491 8.706 8.782 0.991 [OK] 2656 96 D MET O 16 O1H0u 0.660 1.420 2.632 16.331 16.277 1.003 [OK] 2657 96 D MET CB 8 C4H2s 0.770 1.880 3.664 23.547 23.645 0.996 possible 2658 96 D MET CG 9 C4H2b 0.770 1.880 3.095 22.760 24.009 0.948 possible 2659 96 D MET SD 19 S2H0u 1.040 1.770 3.179 35.012 30.093 1.163 possible 2660 96 D MET CE 10 C4H3u 0.770 1.880 3.228 33.948 37.161 0.914 possible 2661 97 D VAL N 12 N3H1s 0.700 1.640 2.981 12.991 13.676 0.950 [OK] 2662 97 D VAL CA 3 C4H1s 0.770 1.880 2.999 14.315 13.123 1.091 [OK] 2663 97 D VAL C 1 C3H0s 0.770 1.610 2.595 7.467 8.563 0.872 [OK] 2664 97 D VAL O 16 O1H0u 0.660 1.420 2.601 13.163 16.181 0.813 [OK] 2665 97 D VAL CB 4 C4H1b 0.770 1.880 6.991 27.437 14.598 1.879 possible 2666 97 D VAL CG1 10 C4H3u 0.770 1.880 25.125 -1.000 36.584 -1.000 bad 2667 97 D VAL CG2 10 C4H3u 0.770 1.880 33.854 -1.000 36.332 -1.000 bad 2668 98 D ALA N 12 N3H1s 0.700 1.640 2.733 12.318 14.046 0.877 [OK] 2669 98 D ALA CA 4 C4H1b 0.770 1.880 5.574 29.108 14.063 2.070 possible 2670 98 D ALA C 1 C3H0s 0.770 1.610 2.096 7.176 8.900 0.806 [OK] 2671 98 D ALA O 16 O1H0u 0.660 1.420 3.704 16.505 16.188 1.020 possible 2672 98 D ALA CB 10 C4H3u 0.770 1.880 4.640 42.043 36.782 1.143 possible 2673 99 D GLY N 12 N3H1s 0.700 1.640 2.523 13.162 14.854 0.886 [OK] 2674 99 D GLY CA 8 C4H2s 0.770 1.880 3.235 25.421 23.688 1.073 possible 2675 99 D GLY C 2 C3H0b 0.770 1.610 3.130 10.331 9.840 1.050 possible 2676 99 D GLY O 16 O1H0u 0.660 1.420 3.465 17.739 16.391 1.082 possible 2677 100 D ILE N 12 N3H1s 0.700 1.640 3.139 14.009 13.633 1.028 possible 2678 100 D ILE CA 3 C4H1s 0.770 1.880 4.702 23.273 13.007 1.789 possible 2679 100 D ILE C 1 C3H0s 0.770 1.610 2.971 8.457 8.470 0.998 [OK] 2680 100 D ILE O 16 O1H0u 0.660 1.420 5.176 37.557 16.144 2.326 possible 2681 100 D ILE CB 4 C4H1b 0.770 1.880 3.038 14.444 14.227 1.015 possible 2682 100 D ILE CG1 9 C4H2b 0.770 1.880 3.762 26.533 24.187 1.097 possible 2683 100 D ILE CG2 10 C4H3u 0.770 1.880 25.387 -1.000 35.961 -1.000 bad 2684 100 D ILE CD1 10 C4H3u 0.770 1.880 3.715 36.544 38.377 0.952 possible 2685 101 D THR N 12 N3H1s 0.700 1.640 2.854 12.482 13.832 0.902 [OK] 2686 101 D THR CA 3 C4H1s 0.770 1.880 3.700 17.544 13.099 1.339 possible 2687 101 D THR C 1 C3H0s 0.770 1.610 2.405 7.751 8.738 0.887 [OK] 2688 101 D THR O 16 O1H0u 0.660 1.420 3.166 16.434 16.020 1.026 possible 2689 101 D THR CB 4 C4H1b 0.770 1.880 3.182 14.276 14.829 0.963 possible 2690 101 D THR OG1 17 O2H1u 0.660 1.460 14.587 -1.000 18.123 -1.000 bad 2691 101 D THR CG2 10 C4H3u 0.770 1.880 35.375 -1.000 36.542 -1.000 bad 2692 102 D SER N 12 N3H1s 0.700 1.640 3.007 12.513 14.103 0.887 possible 2693 102 D SER CA 3 C4H1s 0.770 1.880 3.991 19.856 13.476 1.473 possible 2694 102 D SER C 1 C3H0s 0.770 1.610 2.369 7.414 8.923 0.831 [OK] 2695 102 D SER O 16 O1H0u 0.660 1.420 2.973 23.354 16.179 1.443 [OK] 2696 102 D SER CB 8 C4H2s 0.770 1.880 4.243 31.000 23.884 1.298 possible 2697 102 D SER OG 17 O2H1u 0.660 1.460 3.374 27.224 18.732 1.453 possible 2698 103 D PHE N 12 N3H1s 0.700 1.640 2.474 12.667 13.691 0.925 [OK] 2699 103 D PHE CA 3 C4H1s 0.770 1.880 3.048 13.532 13.449 1.006 possible 2700 103 D PHE C 1 C3H0s 0.770 1.610 4.152 9.575 8.753 1.094 possible 2701 103 D PHE O 16 O1H0u 0.660 1.420 3.942 23.858 16.151 1.477 possible 2702 103 D PHE CB 8 C4H2s 0.770 1.880 4.940 36.538 23.777 1.537 possible 2703 103 D PHE CG 2 C3H0b 0.770 1.610 2.875 9.892 9.721 1.018 [OK] 2704 103 D PHE CD1 5 C3H1s 0.770 1.760 3.824 29.591 20.405 1.450 possible 2705 103 D PHE CD2 6 C3H1b 0.770 1.760 3.846 28.242 21.051 1.342 possible 2706 103 D PHE CE1 6 C3H1b 0.770 1.760 5.369 47.991 21.580 2.224 possible 2707 103 D PHE CE2 6 C3H1b 0.770 1.760 4.406 34.113 21.680 1.573 possible 2708 103 D PHE CZ 6 C3H1b 0.770 1.760 5.081 45.090 21.666 2.081 possible 2709 104 D GLY N 12 N3H1s 0.700 1.640 4.531 15.252 14.854 1.027 possible 2710 104 D GLY CA 8 C4H2s 0.770 1.880 5.344 38.924 23.688 1.643 possible 2711 104 D GLY C 2 C3H0b 0.770 1.610 2.934 10.235 9.840 1.040 [OK] 2712 104 D GLY O 16 O1H0u 0.660 1.420 2.617 16.018 16.391 0.977 [OK] 2713 105 D LEU N 12 N3H1s 0.700 1.640 2.960 15.476 13.655 1.133 [OK] 2714 105 D LEU CA 3 C4H1s 0.770 1.880 2.854 13.916 13.122 1.061 [OK] 2715 105 D LEU C 1 C3H0s 0.770 1.610 2.560 8.148 8.825 0.923 [OK] 2716 105 D LEU O 16 O1H0u 0.660 1.420 2.453 12.832 16.208 0.792 [OK] 2717 105 D LEU CB 8 C4H2s 0.770 1.880 3.259 25.330 22.951 1.104 possible 2718 105 D LEU CG 4 C4H1b 0.770 1.880 3.127 14.683 14.764 0.995 possible 2719 105 D LEU CD1 10 C4H3u 0.770 1.880 7.877 86.286 37.425 2.306 possible 2720 105 D LEU CD2 10 C4H3u 0.770 1.880 6.100 57.005 37.143 1.535 possible 2721 106 D VAL N 12 N3H1s 0.700 1.640 2.725 14.134 13.676 1.034 [OK] 2722 106 D VAL CA 3 C4H1s 0.770 1.880 3.258 14.331 13.123 1.092 possible 2723 106 D VAL C 1 C3H0s 0.770 1.610 2.906 8.005 8.563 0.935 [OK] 2724 106 D VAL O 16 O1H0u 0.660 1.420 3.048 15.106 16.181 0.934 possible 2725 106 D VAL CB 4 C4H1b 0.770 1.880 3.565 16.058 14.598 1.100 possible 2726 106 D VAL CG1 10 C4H3u 0.770 1.880 28.844 -1.000 36.584 -1.000 bad 2727 106 D VAL CG2 10 C4H3u 0.770 1.880 5.232 59.566 36.332 1.640 possible 2728 107 D THR N 12 N3H1s 0.700 1.640 3.284 13.646 13.832 0.987 possible 2729 107 D THR CA 3 C4H1s 0.770 1.880 3.540 16.831 13.099 1.285 possible 2730 107 D THR C 1 C3H0s 0.770 1.610 2.257 7.380 8.738 0.845 [OK] 2731 107 D THR O 16 O1H0u 0.660 1.420 2.842 16.076 16.020 1.004 [OK] 2732 107 D THR CB 4 C4H1b 0.770 1.880 3.652 15.534 14.829 1.048 possible 2733 107 D THR OG1 17 O2H1u 0.660 1.460 5.972 56.398 18.123 3.112 possible 2734 107 D THR CG2 10 C4H3u 0.770 1.880 4.561 47.480 36.542 1.299 possible 2735 108 D ALA N 12 N3H1s 0.700 1.640 2.758 11.621 14.046 0.827 [OK] 2736 108 D ALA CA 4 C4H1b 0.770 1.880 3.005 15.606 14.063 1.110 possible 2737 108 D ALA C 1 C3H0s 0.770 1.610 2.475 7.978 8.900 0.896 [OK] 2738 108 D ALA O 16 O1H0u 0.660 1.420 2.355 13.108 16.188 0.810 [OK] 2739 108 D ALA CB 10 C4H3u 0.770 1.880 3.116 34.173 36.782 0.929 possible 2740 109 D ALA N 12 N3H1s 0.700 1.640 2.277 11.505 14.046 0.819 [OK] 2741 109 D ALA CA 4 C4H1b 0.770 1.880 2.586 13.381 14.063 0.951 [OK] 2742 109 D ALA C 1 C3H0s 0.770 1.610 2.176 7.506 8.900 0.843 [OK] 2743 109 D ALA O 16 O1H0u 0.660 1.420 2.151 13.903 16.188 0.859 [OK] 2744 109 D ALA CB 10 C4H3u 0.770 1.880 3.811 33.364 36.782 0.907 possible 2745 110 D LEU N 12 N3H1s 0.700 1.640 2.138 11.822 13.655 0.866 [OK] 2746 110 D LEU CA 3 C4H1s 0.770 1.880 2.956 14.373 13.122 1.095 [OK] 2747 110 D LEU C 1 C3H0s 0.770 1.610 2.118 8.108 8.825 0.919 [OK] 2748 110 D LEU O 16 O1H0u 0.660 1.420 2.713 18.141 16.208 1.119 [OK] 2749 110 D LEU CB 8 C4H2s 0.770 1.880 3.317 25.463 22.951 1.109 possible 2750 110 D LEU CG 4 C4H1b 0.770 1.880 4.587 23.154 14.764 1.568 possible 2751 110 D LEU CD1 10 C4H3u 0.770 1.880 6.669 56.052 37.425 1.498 possible 2752 110 D LEU CD2 10 C4H3u 0.770 1.880 5.746 60.198 37.143 1.621 possible 2753 111 D ALA N 12 N3H1s 0.700 1.640 2.466 11.489 14.046 0.818 [OK] 2754 111 D ALA CA 4 C4H1b 0.770 1.880 2.826 14.431 14.063 1.026 [OK] 2755 111 D ALA C 1 C3H0s 0.770 1.610 3.173 9.036 8.900 1.015 possible 2756 111 D ALA O 16 O1H0u 0.660 1.420 3.728 22.281 16.188 1.376 possible 2757 111 D ALA CB 10 C4H3u 0.770 1.880 4.342 47.233 36.782 1.284 possible 2758 112 D THR N 12 N3H1s 0.700 1.640 2.964 12.112 13.832 0.876 [OK] 2759 112 D THR CA 3 C4H1s 0.770 1.880 2.992 14.109 13.099 1.077 [OK] 2760 112 D THR C 1 C3H0s 0.770 1.610 2.533 7.931 8.738 0.908 [OK] 2761 112 D THR O 16 O1H0u 0.660 1.420 3.816 18.779 16.020 1.172 possible 2762 112 D THR CB 4 C4H1b 0.770 1.880 4.035 16.632 14.829 1.122 possible 2763 112 D THR OG1 17 O2H1u 0.660 1.460 4.079 25.547 18.123 1.410 possible 2764 112 D THR CG2 10 C4H3u 0.770 1.880 2.965 27.818 36.542 0.761 [OK] 2765 113 D TRP N 12 N3H1s 0.700 1.640 2.590 12.324 13.791 0.894 [OK] 2766 113 D TRP CA 3 C4H1s 0.770 1.880 3.869 18.524 13.377 1.385 possible 2767 113 D TRP C 1 C3H0s 0.770 1.610 2.519 9.452 8.724 1.083 [OK] 2768 113 D TRP O 16 O1H0u 0.660 1.420 3.231 23.287 15.951 1.460 possible 2769 113 D TRP CB 8 C4H2s 0.770 1.880 2.792 22.487 24.004 0.937 [OK] 2770 113 D TRP CG 2 C3H0b 0.770 1.610 2.532 9.530 9.965 0.956 [OK] 2771 113 D TRP CD1 5 C3H1s 0.770 1.760 15.850 -1.000 20.874 -1.000 bad 2772 113 D TRP CD2 2 C3H0b 0.770 1.610 2.635 10.185 10.097 1.009 [OK] 2773 113 D TRP NE1 13 N3H1b 0.700 1.640 23.734 -1.000 16.969 -1.000 bad 2774 113 D TRP CE2 2 C3H0b 0.770 1.610 3.475 13.080 9.889 1.323 possible 2775 113 D TRP CE3 6 C3H1b 0.770 1.760 3.214 24.942 20.448 1.220 possible 2776 113 D TRP CZ2 6 C3H1b 0.770 1.760 26.917 -1.000 21.012 -1.000 bad 2777 113 D TRP CZ3 6 C3H1b 0.770 1.760 5.918 42.683 21.516 1.984 possible 2778 113 D TRP CH2 6 C3H1b 0.770 1.760 20.965 -1.000 21.339 -1.000 bad 2779 114 D PHE N 12 N3H1s 0.700 1.640 2.398 11.717 13.691 0.856 [OK] 2780 114 D PHE CA 3 C4H1s 0.770 1.880 2.978 13.514 13.449 1.005 [OK] 2781 114 D PHE C 1 C3H0s 0.770 1.610 2.630 9.574 8.753 1.094 [OK] 2782 114 D PHE O 16 O1H0u 0.660 1.420 3.836 30.599 16.151 1.895 possible 2783 114 D PHE CB 8 C4H2s 0.770 1.880 2.823 19.503 23.777 0.820 [OK] 2784 114 D PHE CG 2 C3H0b 0.770 1.610 2.681 9.114 9.721 0.938 [OK] 2785 114 D PHE CD1 5 C3H1s 0.770 1.760 2.915 17.645 20.405 0.865 [OK] 2786 114 D PHE CD2 6 C3H1b 0.770 1.760 2.840 17.934 21.051 0.852 [OK] 2787 114 D PHE CE1 6 C3H1b 0.770 1.760 3.046 18.933 21.580 0.877 possible 2788 114 D PHE CE2 6 C3H1b 0.770 1.760 2.963 23.317 21.680 1.076 [OK] 2789 114 D PHE CZ 6 C3H1b 0.770 1.760 3.231 22.475 21.666 1.037 possible 2790 115 D VAL N 12 N3H1s 0.700 1.640 2.278 11.303 13.676 0.826 [OK] 2791 115 D VAL CA 3 C4H1s 0.770 1.880 4.437 18.733 13.123 1.427 possible 2792 115 D VAL C 1 C3H0s 0.770 1.610 2.760 8.351 8.563 0.975 [OK] 2793 115 D VAL O 16 O1H0u 0.660 1.420 3.247 19.093 16.181 1.180 possible 2794 115 D VAL CB 4 C4H1b 0.770 1.880 3.001 13.743 14.598 0.941 possible 2795 115 D VAL CG1 10 C4H3u 0.770 1.880 4.215 60.762 36.584 1.661 possible 2796 115 D VAL CG2 10 C4H3u 0.770 1.880 4.351 47.835 36.332 1.317 possible 2797 116 D GLY N 12 N3H1s 0.700 1.640 3.849 15.440 14.854 1.039 possible 2798 116 D GLY CA 8 C4H2s 0.770 1.880 6.774 89.860 23.688 3.793 possible 2799 116 D GLY C 2 C3H0b 0.770 1.610 3.274 12.360 9.840 1.256 possible 2800 116 D GLY O 16 O1H0u 0.660 1.420 16.937 -1.000 16.391 -1.000 bad 2801 117 D ARG N 12 N3H1s 0.700 1.640 2.738 12.540 13.650 0.919 [OK] 2802 117 D ARG CA 3 C4H1s 0.770 1.880 3.311 15.205 13.422 1.133 possible 2803 117 D ARG C 1 C3H0s 0.770 1.610 3.119 11.617 8.838 1.314 possible 2804 117 D ARG O 16 O1H0u 0.660 1.420 6.977 85.190 16.084 5.297 possible 2805 117 D ARG CB 8 C4H2s 0.770 1.880 3.988 33.866 23.088 1.467 possible 2806 117 D ARG CG 8 C4H2s 0.770 1.880 4.041 33.348 23.640 1.411 possible 2807 117 D ARG CD 8 C4H2s 0.770 1.880 7.780 78.599 23.300 3.373 possible 2808 117 D ARG NE 13 N3H1b 0.700 1.640 46.120 -1.000 15.569 -1.000 bad 2809 118 D GLU N 12 N3H1s 0.700 1.640 2.925 13.762 13.615 1.011 [OK] 2810 118 D GLU CA 3 C4H1s 0.770 1.880 5.086 26.212 13.399 1.956 possible 2811 118 D GLU C 1 C3H0s 0.770 1.610 3.136 9.628 8.675 1.110 possible 2812 118 D GLU O 16 O1H0u 0.660 1.420 29.164 -1.000 16.023 -1.000 bad 2813 118 D GLU CB 8 C4H2s 0.770 1.880 4.511 42.702 23.529 1.815 possible 2814 118 D GLU CG 8 C4H2s 0.770 1.880 4.548 36.329 23.513 1.545 possible 2815 118 D GLU CD 2 C3H0b 0.770 1.610 7.936 18.996 9.460 2.008 possible 2816 118 D GLU OE1 16 O1H0u 0.660 1.420 7.107 55.160 15.999 3.448 possible 2817 118 D GLU OE2 16 O1H0u 0.660 1.420 26.258 -1.000 17.432 -1.000 bad 2818 119 D GLN N 12 N3H1s 0.700 1.640 2.873 14.737 13.616 1.082 [OK] 2819 119 D GLN CA 3 C4H1s 0.770 1.880 10.994 -1.000 13.334 -1.000 bad 2820 119 D GLN C 1 C3H0s 0.770 1.610 2.995 8.612 8.787 0.980 [OK] 2821 119 D GLN O 16 O1H0u 0.660 1.420 44.507 -1.000 15.993 -1.000 bad 2822 119 D GLN CB 8 C4H2s 0.770 1.880 29.103 -1.000 23.275 -1.000 bad 2823 119 D GLN CG 8 C4H2s 0.770 1.880 17.268 -1.000 23.465 -1.000 bad 2824 119 D GLN CD 2 C3H0b 0.770 1.610 6.563 14.286 9.659 1.479 possible 2825 119 D GLN OE1 16 O1H0u 0.660 1.420 43.231 -1.000 17.091 -1.000 bad 2826 119 D GLN NE2 15 N3H2u 0.700 1.640 21.680 -1.000 24.150 -1.000 bad 2827 119 D GLN OXT 16 O1H0u 0.660 1.420 26.565 -1.000 1.420 -1.000 bad 2829 1 e K K 25 DEFAULT 0.770 1.800 5.965 41.986 1.800 23.325 possible 2830 2 e K K 25 DEFAULT 0.770 1.800 2.520 35.381 1.800 19.656 [OK] 2831 3 e K K 25 DEFAULT 0.770 1.800 6.933 79.068 1.800 43.927 possible 2832 1 f HOH O 18 O2H2u 0.660 1.460 1.944 15.233 1.460 10.434 [OK]