NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
589050 | 2n08 | 25517 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 HIS 1 HT1 HIS 1 7.591 -11.303 3.257 2 H2 HIS 1 HT2 HIS 1 7.515 -10.386 1.837 3 H3 HIS 1 HT3 HIS 1 6.173 -10.469 2.862 4 HA HIS 1 HA HIS 1 7.741 -9.488 4.626 5 HB2 HIS 1 HB2 HIS 1 9.091 -8.689 2.034 6 HB3 HIS 1 HB1 HIS 1 9.465 -8.017 3.615 7 HD1 HIS 1 HD1 HIS 1 9.423 -11.471 1.992 8 HD2 HIS 1 HD2 HIS 1 11.546 -9.259 4.797 9 HE1 HIS 1 HE1 HIS 1 11.317 -12.953 2.722 10 HE2 HIS 1 HE2 HIS 1 12.536 -11.627 4.483 11 H ALA 2 HN ALA 2 6.572 -7.868 5.361 12 HA ALA 2 HA ALA 2 4.993 -6.231 5.481 13 HB1 ALA 2 HB1 ALA 2 6.525 -5.063 3.168 14 HB2 ALA 2 HB2 ALA 2 7.071 -5.020 4.844 15 HB3 ALA 2 HB3 ALA 2 5.583 -4.195 4.380 16 H GLU 3 HN GLU 3 4.561 -8.457 3.347 17 HA GLU 3 HA GLU 3 2.826 -9.065 2.018 18 HB2 GLU 3 HB2 GLU 3 1.416 -7.736 3.552 19 HB3 GLU 3 HB1 GLU 3 1.703 -6.313 2.565 20 HG2 GLU 3 HG2 GLU 3 -0.454 -7.200 2.047 21 HG3 GLU 3 HG1 GLU 3 0.609 -7.448 0.666 22 H GLY 4 HN GLY 4 4.751 -6.306 1.309 23 HA2 GLY 4 HA2 GLY 4 3.756 -5.674 -1.265 24 HA3 GLY 4 HA1 GLY 4 5.346 -5.267 -0.636 25 H THR 5 HN THR 5 6.318 -7.833 -0.123 26 HA THR 5 HA THR 5 7.357 -8.532 -2.627 27 HB THR 5 HB THR 5 8.239 -10.546 -1.525 28 HG1 THR 5 HG1 THR 5 6.867 -11.265 -0.047 29 HG21 THR 5 HG21 THR 5 8.461 -8.043 0.141 30 HG22 THR 5 HG22 THR 5 9.448 -8.451 -1.263 31 HG23 THR 5 HG23 THR 5 9.566 -9.415 0.209 32 H PHE 6 HN PHE 6 4.734 -9.999 -0.728 33 HA PHE 6 HA PHE 6 4.235 -12.206 -2.381 34 HB2 PHE 6 HB2 PHE 6 3.258 -11.976 -0.138 35 HB3 PHE 6 HB1 PHE 6 2.278 -10.625 -0.695 36 HD1 PHE 6 HD1 PHE 6 2.990 -14.018 -2.087 37 HD2 PHE 6 HD2 PHE 6 0.065 -11.223 -0.767 38 HE1 PHE 6 HE1 PHE 6 1.207 -15.582 -2.739 39 HE2 PHE 6 HE2 PHE 6 -1.723 -12.783 -1.414 40 HZ PHE 6 HZ PHE 6 -1.153 -14.966 -2.402 41 H THR 7 HN THR 7 2.992 -8.891 -2.485 42 HA THR 7 HA THR 7 1.119 -9.202 -4.544 43 HB THR 7 HB THR 7 2.781 -6.757 -3.893 44 HG1 THR 7 HG1 THR 7 1.626 -6.970 -2.104 45 HG21 THR 7 HG21 THR 7 0.250 -7.117 -5.496 46 HG22 THR 7 HG22 THR 7 1.779 -6.417 -6.027 47 HG23 THR 7 HG23 THR 7 0.774 -5.558 -4.860 48 H SER 8 HN SER 8 4.554 -8.306 -4.662 49 HA SER 8 HA SER 8 4.747 -7.924 -7.438 50 HB2 SER 8 HB2 SER 8 6.886 -8.823 -5.489 51 HB3 SER 8 HB1 SER 8 7.182 -8.209 -7.116 52 HG SER 8 HG SER 8 6.734 -6.226 -6.468 53 H ASP 9 HN ASP 9 5.266 -10.812 -5.439 54 HA ASP 9 HA ASP 9 6.122 -12.521 -7.515 55 HB2 ASP 9 HB2 ASP 9 6.395 -12.953 -5.060 56 HB3 ASP 9 HB1 ASP 9 4.673 -13.297 -4.971 57 H PHE 10 HN PHE 10 2.908 -11.949 -6.096 58 HA PHE 10 HA PHE 10 1.467 -13.844 -7.546 59 HB2 PHE 10 HB2 PHE 10 0.520 -12.669 -5.627 60 HB3 PHE 10 HB1 PHE 10 0.561 -11.148 -6.512 61 HD1 PHE 10 HD2 PHE 10 -0.651 -14.588 -7.333 62 HD2 PHE 10 HD1 PHE 10 -1.555 -10.440 -7.024 63 HE1 PHE 10 HE2 PHE 10 -2.920 -15.023 -8.177 64 HE2 PHE 10 HE1 PHE 10 -3.826 -10.869 -7.865 65 HZ PHE 10 HZ PHE 10 -4.511 -13.162 -8.445 66 H PHE 11 HN PHE 11 2.102 -10.431 -8.327 67 HA PHE 11 HA PHE 11 0.681 -10.449 -10.781 68 HB2 PHE 11 HB2 PHE 11 2.772 -8.607 -9.633 69 HB3 PHE 11 HB1 PHE 11 2.114 -8.363 -11.246 70 HD1 PHE 11 HD2 PHE 11 0.399 -9.418 -8.099 71 HD2 PHE 11 HD1 PHE 11 0.840 -6.447 -11.117 72 HE1 PHE 11 HE2 PHE 11 -1.495 -8.174 -7.147 73 HE2 PHE 11 HE1 PHE 11 -1.054 -5.198 -10.166 74 HZ PHE 11 HZ PHE 11 -2.224 -6.062 -8.180 75 HN1 NH2 12 H2 PHE 11 4.611 -11.304 -11.624 76 HN2 NH2 12 H1 PHE 11 4.184 -10.565 -10.122 Start of MODEL 2 1 H1 HIS 1 HT1 HIS 1 8.592 -10.621 1.107 2 H2 HIS 1 HT2 HIS 1 6.992 -11.104 1.359 3 H3 HIS 1 HT3 HIS 1 8.260 -12.018 2.001 4 HA HIS 1 HA HIS 1 7.767 -10.915 3.873 5 HB2 HIS 1 HB2 HIS 1 9.390 -8.898 2.307 6 HB3 HIS 1 HB1 HIS 1 9.133 -8.817 4.046 7 HD1 HIS 1 HD1 HIS 1 10.477 -11.408 1.581 8 HD2 HIS 1 HD2 HIS 1 11.168 -9.937 5.405 9 HE1 HIS 1 HE1 HIS 1 12.488 -12.654 2.426 10 HE2 HIS 1 HE2 HIS 1 12.839 -11.806 4.772 11 H ALA 2 HN ALA 2 6.190 -9.903 4.860 12 HA ALA 2 HA ALA 2 4.274 -8.735 5.190 13 HB1 ALA 2 HB1 ALA 2 5.524 -6.531 3.577 14 HB2 ALA 2 HB2 ALA 2 6.131 -6.977 5.171 15 HB3 ALA 2 HB3 ALA 2 4.472 -6.410 4.987 16 H GLU 3 HN GLU 3 3.382 -6.578 3.248 17 HA GLU 3 HA GLU 3 2.101 -8.381 1.311 18 HB2 GLU 3 HB2 GLU 3 0.298 -6.702 1.181 19 HB3 GLU 3 HB1 GLU 3 0.516 -7.313 2.814 20 HG2 GLU 3 HG2 GLU 3 1.748 -5.295 3.414 21 HG3 GLU 3 HG1 GLU 3 1.550 -4.683 1.773 22 H GLY 4 HN GLY 4 4.712 -7.373 0.847 23 HA2 GLY 4 HA2 GLY 4 4.210 -5.511 -1.395 24 HA3 GLY 4 HA1 GLY 4 5.681 -5.486 -0.434 25 H THR 5 HN THR 5 6.399 -8.105 -0.274 26 HA THR 5 HA THR 5 7.485 -8.583 -2.862 27 HB THR 5 HB THR 5 7.444 -10.440 -0.475 28 HG1 THR 5 HG1 THR 5 8.574 -8.664 0.160 29 HG21 THR 5 HG21 THR 5 9.548 -11.320 -1.599 30 HG22 THR 5 HG22 THR 5 9.025 -10.444 -3.038 31 HG23 THR 5 HG23 THR 5 8.018 -11.731 -2.374 32 H PHE 6 HN PHE 6 4.911 -10.081 -0.964 33 HA PHE 6 HA PHE 6 4.324 -12.213 -2.689 34 HB2 PHE 6 HB2 PHE 6 2.671 -10.695 -0.680 35 HB3 PHE 6 HB1 PHE 6 1.991 -12.015 -1.621 36 HD1 PHE 6 HD2 PHE 6 5.203 -11.483 0.233 37 HD2 PHE 6 HD1 PHE 6 1.780 -13.932 -0.401 38 HE1 PHE 6 HE2 PHE 6 6.057 -13.096 1.879 39 HE2 PHE 6 HE1 PHE 6 2.629 -15.548 1.247 40 HZ PHE 6 HZ PHE 6 4.771 -15.132 2.388 41 H THR 7 HN THR 7 3.151 -8.873 -2.599 42 HA THR 7 HA THR 7 1.176 -9.063 -4.574 43 HB THR 7 HB THR 7 2.923 -6.682 -3.910 44 HG1 THR 7 HG1 THR 7 0.375 -7.495 -2.906 45 HG21 THR 7 HG21 THR 7 0.320 -6.918 -5.418 46 HG22 THR 7 HG22 THR 7 1.846 -6.243 -5.990 47 HG23 THR 7 HG23 THR 7 0.916 -5.397 -4.753 48 H SER 8 HN SER 8 4.613 -8.188 -4.851 49 HA SER 8 HA SER 8 4.619 -7.771 -7.640 50 HB2 SER 8 HB2 SER 8 6.408 -6.941 -6.174 51 HB3 SER 8 HB1 SER 8 6.906 -8.597 -5.832 52 HG SER 8 HG SER 8 7.423 -7.025 -8.014 53 H ASP 9 HN ASP 9 5.268 -10.654 -5.683 54 HA ASP 9 HA ASP 9 6.120 -12.319 -7.799 55 HB2 ASP 9 HB2 ASP 9 6.556 -12.800 -5.417 56 HB3 ASP 9 HB1 ASP 9 4.839 -13.088 -5.164 57 H PHE 10 HN PHE 10 2.936 -11.960 -6.233 58 HA PHE 10 HA PHE 10 1.627 -13.874 -7.859 59 HB2 PHE 10 HB2 PHE 10 0.615 -11.654 -6.094 60 HB3 PHE 10 HB1 PHE 10 -0.479 -12.679 -7.014 61 HD1 PHE 10 HD2 PHE 10 2.647 -13.620 -5.203 62 HD2 PHE 10 HD1 PHE 10 -1.595 -13.915 -5.411 63 HE1 PHE 10 HE2 PHE 10 2.678 -15.284 -3.397 64 HE2 PHE 10 HE1 PHE 10 -1.569 -15.581 -3.603 65 HZ PHE 10 HZ PHE 10 0.569 -16.268 -2.594 66 H PHE 11 HN PHE 11 1.735 -10.320 -8.019 67 HA PHE 11 HA PHE 11 0.070 -10.132 -10.314 68 HB2 PHE 11 HB2 PHE 11 1.982 -8.194 -9.018 69 HB3 PHE 11 HB1 PHE 11 1.089 -7.789 -10.477 70 HD1 PHE 11 HD1 PHE 11 0.006 -9.634 -7.411 71 HD2 PHE 11 HD2 PHE 11 -0.458 -6.197 -9.880 72 HE1 PHE 11 HE1 PHE 11 -1.911 -8.920 -6.050 73 HE2 PHE 11 HE2 PHE 11 -2.377 -5.478 -8.520 74 HZ PHE 11 HZ PHE 11 -3.105 -6.839 -6.602 75 HN1 NH2 12 H2 PHE 11 3.964 -10.037 -11.625 76 HN2 NH2 12 H1 PHE 11 3.582 -9.579 -10.004 Start of MODEL 3 1 H1 HIS 1 HT1 HIS 1 8.904 -12.360 1.113 2 H2 HIS 1 HT2 HIS 1 8.979 -10.727 0.682 3 H3 HIS 1 HT3 HIS 1 7.507 -11.557 0.600 4 HA HIS 1 HA HIS 1 7.616 -11.900 3.028 5 HB2 HIS 1 HB2 HIS 1 9.917 -9.958 2.744 6 HB3 HIS 1 HB1 HIS 1 9.190 -10.436 4.274 7 HD1 HIS 1 HD1 HIS 1 9.181 -13.304 4.425 8 HD2 HIS 1 HD2 HIS 1 12.180 -11.348 2.316 9 HE1 HIS 1 HE1 HIS 1 11.082 -14.943 4.284 10 HE2 HIS 1 HE2 HIS 1 12.851 -13.769 2.928 11 H ALA 2 HN ALA 2 6.186 -10.796 4.127 12 HA ALA 2 HA ALA 2 4.626 -9.243 4.642 13 HB1 ALA 2 HB1 ALA 2 6.159 -7.142 3.158 14 HB2 ALA 2 HB2 ALA 2 6.763 -7.790 4.682 15 HB3 ALA 2 HB3 ALA 2 5.191 -6.993 4.625 16 H GLU 3 HN GLU 3 2.894 -8.015 3.739 17 HA GLU 3 HA GLU 3 1.762 -9.057 1.451 18 HB2 GLU 3 HB2 GLU 3 0.421 -7.927 3.088 19 HB3 GLU 3 HB1 GLU 3 1.287 -6.420 2.845 20 HG2 GLU 3 HG2 GLU 3 -0.227 -7.646 0.582 21 HG3 GLU 3 HG1 GLU 3 -1.083 -6.754 1.838 22 H GLY 4 HN GLY 4 4.230 -6.638 1.683 23 HA2 GLY 4 HA2 GLY 4 3.747 -5.281 -0.767 24 HA3 GLY 4 HA1 GLY 4 5.263 -5.311 0.119 25 H THR 5 HN THR 5 6.169 -7.795 0.034 26 HA THR 5 HA THR 5 6.944 -8.117 -2.693 27 HB THR 5 HB THR 5 7.444 -9.956 -0.348 28 HG1 THR 5 HG1 THR 5 8.691 -8.336 0.217 29 HG21 THR 5 HG21 THR 5 7.867 -11.222 -2.293 30 HG22 THR 5 HG22 THR 5 9.444 -10.615 -1.792 31 HG23 THR 5 HG23 THR 5 8.588 -9.847 -3.129 32 H PHE 6 HN PHE 6 4.743 -9.839 -0.534 33 HA PHE 6 HA PHE 6 4.223 -12.099 -2.061 34 HB2 PHE 6 HB2 PHE 6 2.530 -10.509 -0.150 35 HB3 PHE 6 HB1 PHE 6 1.873 -11.913 -0.979 36 HD1 PHE 6 HD1 PHE 6 5.281 -11.398 0.451 37 HD2 PHE 6 HD2 PHE 6 1.584 -13.497 0.678 38 HE1 PHE 6 HE1 PHE 6 6.224 -12.866 2.181 39 HE2 PHE 6 HE2 PHE 6 2.524 -14.967 2.410 40 HZ PHE 6 HZ PHE 6 4.846 -14.653 3.164 41 H THR 7 HN THR 7 2.745 -8.878 -2.245 42 HA THR 7 HA THR 7 0.873 -9.501 -4.276 43 HB THR 7 HB THR 7 2.084 -6.842 -3.494 44 HG1 THR 7 HG1 THR 7 -0.391 -8.098 -2.819 45 HG21 THR 7 HG21 THR 7 0.022 -5.904 -4.599 46 HG22 THR 7 HG22 THR 7 -0.238 -7.497 -5.308 47 HG23 THR 7 HG23 THR 7 1.216 -6.582 -5.705 48 H SER 8 HN SER 8 4.100 -8.006 -4.381 49 HA SER 8 HA SER 8 4.212 -7.550 -7.143 50 HB2 SER 8 HB2 SER 8 5.800 -6.547 -5.563 51 HB3 SER 8 HB1 SER 8 6.491 -8.137 -5.236 52 HG SER 8 HG SER 8 7.578 -8.031 -7.040 53 H ASP 9 HN ASP 9 5.131 -10.399 -5.245 54 HA ASP 9 HA ASP 9 6.287 -11.850 -7.383 55 HB2 ASP 9 HB2 ASP 9 6.723 -12.346 -5.005 56 HB3 ASP 9 HB1 ASP 9 5.058 -12.880 -4.815 57 H PHE 10 HN PHE 10 3.046 -12.021 -5.897 58 HA PHE 10 HA PHE 10 2.079 -14.031 -7.645 59 HB2 PHE 10 HB2 PHE 10 0.706 -12.088 -5.801 60 HB3 PHE 10 HB1 PHE 10 -0.202 -13.214 -6.802 61 HD1 PHE 10 HD2 PHE 10 2.987 -13.740 -4.930 62 HD2 PHE 10 HD1 PHE 10 -1.137 -14.721 -5.326 63 HE1 PHE 10 HE2 PHE 10 3.240 -15.479 -3.213 64 HE2 PHE 10 HE1 PHE 10 -0.889 -16.462 -3.607 65 HZ PHE 10 HZ PHE 10 1.301 -16.844 -2.549 66 H PHE 11 HN PHE 11 1.633 -10.500 -7.632 67 HA PHE 11 HA PHE 11 0.024 -10.475 -9.982 68 HB2 PHE 11 HB2 PHE 11 1.510 -8.299 -8.512 69 HB3 PHE 11 HB1 PHE 11 0.579 -7.985 -9.970 70 HD1 PHE 11 HD1 PHE 11 -0.148 -10.135 -6.993 71 HD2 PHE 11 HD2 PHE 11 -1.283 -6.790 -9.369 72 HE1 PHE 11 HE1 PHE 11 -2.186 -9.875 -5.646 73 HE2 PHE 11 HE2 PHE 11 -3.324 -6.525 -8.023 74 HZ PHE 11 HZ PHE 11 -3.777 -8.068 -6.159 75 HN1 NH2 12 H2 PHE 11 3.876 -9.582 -11.101 76 HN2 NH2 12 H1 PHE 11 3.352 -9.288 -9.482 Start of MODEL 4 1 H1 HIS 1 HT1 HIS 1 9.702 -8.848 2.137 2 H2 HIS 1 HT2 HIS 1 10.457 -7.830 3.254 3 H3 HIS 1 HT3 HIS 1 9.520 -7.170 2.010 4 HA HIS 1 HA HIS 1 8.693 -8.463 4.498 5 HB2 HIS 1 HB2 HIS 1 7.682 -6.137 2.843 6 HB3 HIS 1 HB1 HIS 1 6.951 -6.665 4.353 7 HD1 HIS 1 HD1 HIS 1 10.414 -5.554 3.184 8 HD2 HIS 1 HD2 HIS 1 7.890 -5.286 6.475 9 HE1 HIS 1 HE1 HIS 1 11.628 -4.109 4.846 10 HE2 HIS 1 HE2 HIS 1 10.116 -4.027 6.860 11 H ALA 2 HN ALA 2 6.892 -9.694 4.729 12 HA ALA 2 HA ALA 2 5.993 -11.273 2.604 13 HB1 ALA 2 HB1 ALA 2 4.662 -10.755 5.260 14 HB2 ALA 2 HB2 ALA 2 5.841 -12.018 4.906 15 HB3 ALA 2 HB3 ALA 2 4.249 -12.061 4.149 16 H GLU 3 HN GLU 3 4.508 -8.420 4.117 17 HA GLU 3 HA GLU 3 2.079 -8.454 2.724 18 HB2 GLU 3 HB2 GLU 3 3.609 -6.048 3.736 19 HB3 GLU 3 HB1 GLU 3 1.903 -6.075 3.310 20 HG2 GLU 3 HG2 GLU 3 1.450 -7.630 5.116 21 HG3 GLU 3 HG1 GLU 3 3.165 -7.685 5.520 22 H GLY 4 HN GLY 4 5.099 -6.722 1.981 23 HA2 GLY 4 HA2 GLY 4 4.165 -5.683 -0.513 24 HA3 GLY 4 HA1 GLY 4 5.830 -5.706 0.047 25 H THR 5 HN THR 5 6.015 -8.535 0.443 26 HA THR 5 HA THR 5 6.919 -9.379 -2.048 27 HB THR 5 HB THR 5 6.047 -11.126 0.268 28 HG1 THR 5 HG1 THR 5 7.683 -10.035 1.126 29 HG21 THR 5 HG21 THR 5 7.623 -11.673 -2.226 30 HG22 THR 5 HG22 THR 5 6.310 -12.608 -1.510 31 HG23 THR 5 HG23 THR 5 7.905 -12.610 -0.758 32 H PHE 6 HN PHE 6 3.824 -10.054 -0.427 33 HA PHE 6 HA PHE 6 2.752 -11.862 -2.240 34 HB2 PHE 6 HB2 PHE 6 1.741 -10.156 -0.121 35 HB3 PHE 6 HB1 PHE 6 0.584 -10.296 -1.439 36 HD1 PHE 6 HD2 PHE 6 2.987 -12.736 0.048 37 HD2 PHE 6 HD1 PHE 6 -1.066 -11.764 -0.816 38 HE1 PHE 6 HE2 PHE 6 2.283 -14.935 0.898 39 HE2 PHE 6 HE1 PHE 6 -1.777 -13.961 0.033 40 HZ PHE 6 HZ PHE 6 -0.102 -15.549 0.891 41 H THR 7 HN THR 7 2.640 -8.307 -2.317 42 HA THR 7 HA THR 7 0.997 -7.983 -4.547 43 HB THR 7 HB THR 7 3.342 -6.242 -3.741 44 HG1 THR 7 HG1 THR 7 2.055 -6.033 -2.041 45 HG21 THR 7 HG21 THR 7 2.698 -5.573 -5.913 46 HG22 THR 7 HG22 THR 7 1.883 -4.453 -4.822 47 HG23 THR 7 HG23 THR 7 0.983 -5.781 -5.556 48 H SER 8 HN SER 8 4.526 -8.305 -4.358 49 HA SER 8 HA SER 8 5.016 -8.121 -7.139 50 HB2 SER 8 HB2 SER 8 6.669 -9.436 -4.968 51 HB3 SER 8 HB1 SER 8 7.239 -9.060 -6.592 52 HG SER 8 HG SER 8 6.777 -7.380 -4.430 53 H ASP 9 HN ASP 9 4.361 -10.844 -4.990 54 HA ASP 9 HA ASP 9 5.009 -12.969 -6.662 55 HB2 ASP 9 HB2 ASP 9 2.867 -12.756 -4.539 56 HB3 ASP 9 HB1 ASP 9 3.340 -14.268 -5.302 57 H PHE 10 HN PHE 10 2.022 -11.075 -6.505 58 HA PHE 10 HA PHE 10 0.377 -12.658 -8.078 59 HB2 PHE 10 HB2 PHE 10 0.494 -9.682 -7.664 60 HB3 PHE 10 HB1 PHE 10 -0.692 -10.402 -8.744 61 HD1 PHE 10 HD1 PHE 10 0.467 -11.919 -5.573 62 HD2 PHE 10 HD2 PHE 10 -2.633 -9.799 -7.574 63 HE1 PHE 10 HE1 PHE 10 -1.029 -12.316 -3.665 64 HE2 PHE 10 HE2 PHE 10 -4.137 -10.195 -5.669 65 HZ PHE 10 HZ PHE 10 -3.335 -11.454 -3.710 66 H PHE 11 HN PHE 11 2.653 -10.138 -9.125 67 HA PHE 11 HA PHE 11 2.072 -10.646 -11.914 68 HB2 PHE 11 HB2 PHE 11 4.085 -8.814 -10.594 69 HB3 PHE 11 HB1 PHE 11 3.847 -8.931 -12.334 70 HD1 PHE 11 HD2 PHE 11 1.543 -8.649 -9.392 71 HD2 PHE 11 HD1 PHE 11 2.755 -7.097 -13.167 72 HE1 PHE 11 HE2 PHE 11 -0.234 -6.960 -9.260 73 HE2 PHE 11 HE1 PHE 11 0.976 -5.397 -13.039 74 HZ PHE 11 HZ PHE 11 -0.521 -5.330 -11.083 75 HN1 NH2 12 H2 PHE 11 5.804 -12.036 -10.895 76 HN2 NH2 12 H1 PHE 11 5.071 -10.771 -9.975 Start of MODEL 5 1 H1 HIS 1 HT1 HIS 1 10.384 -8.039 3.578 2 H2 HIS 1 HT2 HIS 1 10.224 -6.533 4.329 3 H3 HIS 1 HT3 HIS 1 9.564 -6.787 2.791 4 HA HIS 1 HA HIS 1 8.720 -8.307 5.180 5 HB2 HIS 1 HB2 HIS 1 6.656 -6.750 4.997 6 HB3 HIS 1 HB1 HIS 1 8.103 -6.155 5.794 7 HD1 HIS 1 HD1 HIS 1 7.209 -6.201 2.092 8 HD2 HIS 1 HD2 HIS 1 8.213 -3.535 5.114 9 HE1 HIS 1 HE1 HIS 1 7.328 -3.948 0.987 10 HE2 HIS 1 HE2 HIS 1 7.947 -2.349 2.833 11 H ALA 2 HN ALA 2 6.907 -9.545 4.902 12 HA ALA 2 HA ALA 2 6.577 -10.749 2.362 13 HB1 ALA 2 HB1 ALA 2 6.257 -12.009 4.406 14 HB2 ALA 2 HB2 ALA 2 4.784 -12.049 3.436 15 HB3 ALA 2 HB3 ALA 2 4.883 -10.994 4.845 16 H GLU 3 HN GLU 3 4.650 -8.354 4.129 17 HA GLU 3 HA GLU 3 2.299 -8.343 2.709 18 HB2 GLU 3 HB2 GLU 3 3.794 -5.922 3.732 19 HB3 GLU 3 HB1 GLU 3 2.094 -5.952 3.286 20 HG2 GLU 3 HG2 GLU 3 1.622 -7.518 5.072 21 HG3 GLU 3 HG1 GLU 3 3.332 -7.585 5.493 22 H GLY 4 HN GLY 4 5.251 -6.538 1.885 23 HA2 GLY 4 HA2 GLY 4 4.172 -5.497 -0.559 24 HA3 GLY 4 HA1 GLY 4 5.848 -5.413 -0.040 25 H THR 5 HN THR 5 6.378 -8.149 0.252 26 HA THR 5 HA THR 5 7.153 -8.869 -2.328 27 HB THR 5 HB THR 5 6.794 -10.676 0.072 28 HG1 THR 5 HG1 THR 5 9.099 -9.298 -0.899 29 HG21 THR 5 HG21 THR 5 6.990 -12.074 -1.839 30 HG22 THR 5 HG22 THR 5 8.591 -12.020 -1.102 31 HG23 THR 5 HG23 THR 5 8.250 -11.057 -2.539 32 H PHE 6 HN PHE 6 4.343 -9.944 -0.425 33 HA PHE 6 HA PHE 6 3.409 -11.939 -2.123 34 HB2 PHE 6 HB2 PHE 6 2.559 -11.097 0.230 35 HB3 PHE 6 HB1 PHE 6 1.449 -10.140 -0.746 36 HD1 PHE 6 HD1 PHE 6 2.749 -13.640 -0.837 37 HD2 PHE 6 HD2 PHE 6 -0.645 -11.070 -0.905 38 HE1 PHE 6 HE1 PHE 6 1.277 -15.598 -1.051 39 HE2 PHE 6 HE2 PHE 6 -2.123 -13.027 -1.119 40 HZ PHE 6 HZ PHE 6 -1.162 -15.294 -1.191 41 H THR 7 HN THR 7 2.887 -8.437 -2.239 42 HA THR 7 HA THR 7 0.981 -8.362 -4.302 43 HB THR 7 HB THR 7 3.102 -6.292 -3.673 44 HG1 THR 7 HG1 THR 7 1.962 -6.334 -1.849 45 HG21 THR 7 HG21 THR 7 2.162 -5.728 -5.766 46 HG22 THR 7 HG22 THR 7 1.307 -4.736 -4.585 47 HG23 THR 7 HG23 THR 7 0.538 -6.178 -5.247 48 H SER 8 HN SER 8 4.526 -8.119 -4.401 49 HA SER 8 HA SER 8 4.754 -7.887 -7.210 50 HB2 SER 8 HB2 SER 8 6.558 -7.291 -5.590 51 HB3 SER 8 HB1 SER 8 6.795 -9.009 -5.273 52 HG SER 8 HG SER 8 7.456 -7.501 -7.522 53 H ASP 9 HN ASP 9 4.749 -10.661 -5.023 54 HA ASP 9 HA ASP 9 5.524 -12.677 -6.767 55 HB2 ASP 9 HB2 ASP 9 5.273 -12.985 -4.342 56 HB3 ASP 9 HB1 ASP 9 3.526 -12.840 -4.501 57 H PHE 10 HN PHE 10 2.331 -11.222 -6.297 58 HA PHE 10 HA PHE 10 0.726 -13.003 -7.651 59 HB2 PHE 10 HB2 PHE 10 0.547 -10.252 -6.819 60 HB3 PHE 10 HB1 PHE 10 -0.197 -10.448 -8.401 61 HD1 PHE 10 HD1 PHE 10 -0.059 -12.787 -5.507 62 HD2 PHE 10 HD2 PHE 10 -2.478 -10.371 -8.042 63 HE1 PHE 10 HE1 PHE 10 -2.080 -13.703 -4.445 64 HE2 PHE 10 HE2 PHE 10 -4.503 -11.281 -6.984 65 HZ PHE 10 HZ PHE 10 -4.306 -12.950 -5.183 66 H PHE 11 HN PHE 11 2.602 -10.328 -9.052 67 HA PHE 11 HA PHE 11 1.775 -10.945 -11.732 68 HB2 PHE 11 HB2 PHE 11 3.904 -9.105 -10.633 69 HB3 PHE 11 HB1 PHE 11 3.585 -9.288 -12.353 70 HD1 PHE 11 HD2 PHE 11 0.839 -9.368 -9.904 71 HD2 PHE 11 HD1 PHE 11 3.061 -6.960 -12.631 72 HE1 PHE 11 HE2 PHE 11 -0.897 -7.634 -9.780 73 HE2 PHE 11 HE1 PHE 11 1.325 -5.222 -12.509 74 HZ PHE 11 HZ PHE 11 -0.656 -5.556 -11.083 75 HN1 NH2 12 H2 PHE 11 5.513 -12.479 -10.996 76 HN2 NH2 12 H1 PHE 11 4.862 -11.239 -9.985 Start of MODEL 6 1 H1 HIS 1 HT1 HIS 1 9.543 -8.713 3.045 2 H2 HIS 1 HT2 HIS 1 10.187 -7.168 3.275 3 H3 HIS 1 HT3 HIS 1 9.613 -7.626 1.752 4 HA HIS 1 HA HIS 1 8.135 -6.806 4.140 5 HB2 HIS 1 HB2 HIS 1 7.695 -6.482 1.160 6 HB3 HIS 1 HB1 HIS 1 6.725 -5.724 2.415 7 HD1 HIS 1 HD1 HIS 1 10.424 -5.797 1.466 8 HD2 HIS 1 HD2 HIS 1 7.510 -3.188 2.871 9 HE1 HIS 1 HE1 HIS 1 11.548 -3.556 1.619 10 HE2 HIS 1 HE2 HIS 1 9.772 -1.995 2.486 11 H ALA 2 HN ALA 2 6.451 -7.920 4.929 12 HA ALA 2 HA ALA 2 5.813 -10.496 4.046 13 HB1 ALA 2 HB1 ALA 2 5.377 -9.914 6.307 14 HB2 ALA 2 HB2 ALA 2 3.831 -10.299 5.550 15 HB3 ALA 2 HB3 ALA 2 4.282 -8.617 5.828 16 H GLU 3 HN GLU 3 4.016 -7.444 3.593 17 HA GLU 3 HA GLU 3 2.058 -8.718 1.886 18 HB2 GLU 3 HB2 GLU 3 1.436 -6.856 3.391 19 HB3 GLU 3 HB1 GLU 3 2.487 -5.785 2.476 20 HG2 GLU 3 HG2 GLU 3 0.839 -6.915 0.556 21 HG3 GLU 3 HG1 GLU 3 -0.225 -6.634 1.931 22 H GLY 4 HN GLY 4 4.868 -6.621 1.513 23 HA2 GLY 4 HA2 GLY 4 4.564 -5.886 -1.172 24 HA3 GLY 4 HA1 GLY 4 6.088 -5.983 -0.306 25 H THR 5 HN THR 5 6.007 -8.744 0.288 26 HA THR 5 HA THR 5 7.179 -9.789 -2.032 27 HB THR 5 HB THR 5 6.998 -12.004 -0.820 28 HG1 THR 5 HG1 THR 5 6.312 -10.626 1.510 29 HG21 THR 5 HG21 THR 5 8.473 -11.079 1.156 30 HG22 THR 5 HG22 THR 5 8.384 -9.588 0.220 31 HG23 THR 5 HG23 THR 5 9.060 -11.044 -0.508 32 H PHE 6 HN PHE 6 4.005 -10.398 -0.547 33 HA PHE 6 HA PHE 6 3.105 -12.230 -2.491 34 HB2 PHE 6 HB2 PHE 6 1.822 -10.584 -0.372 35 HB3 PHE 6 HB1 PHE 6 0.785 -11.230 -1.633 36 HD1 PHE 6 HD1 PHE 6 3.737 -12.675 0.141 37 HD2 PHE 6 HD2 PHE 6 -0.410 -12.985 -0.766 38 HE1 PHE 6 HE1 PHE 6 3.649 -14.843 1.303 39 HE2 PHE 6 HE2 PHE 6 -0.504 -15.151 0.395 40 HZ PHE 6 HZ PHE 6 1.525 -16.084 1.430 41 H THR 7 HN THR 7 3.039 -8.717 -2.317 42 HA THR 7 HA THR 7 1.263 -8.232 -4.449 43 HB THR 7 HB THR 7 3.552 -6.514 -3.461 44 HG1 THR 7 HG1 THR 7 0.782 -6.384 -2.793 45 HG21 THR 7 HG21 THR 7 1.142 -5.266 -4.624 46 HG22 THR 7 HG22 THR 7 2.176 -6.116 -5.770 47 HG23 THR 7 HG23 THR 7 2.843 -4.816 -4.785 48 H SER 8 HN SER 8 4.824 -8.285 -4.371 49 HA SER 8 HA SER 8 5.195 -7.869 -7.137 50 HB2 SER 8 HB2 SER 8 6.973 -7.446 -5.506 51 HB3 SER 8 HB1 SER 8 7.048 -9.168 -5.125 52 HG SER 8 HG SER 8 8.114 -7.787 -7.238 53 H ASP 9 HN ASP 9 5.085 -10.852 -5.202 54 HA ASP 9 HA ASP 9 5.748 -12.603 -7.314 55 HB2 ASP 9 HB2 ASP 9 5.905 -13.208 -4.922 56 HB3 ASP 9 HB1 ASP 9 4.149 -13.203 -4.818 57 H PHE 10 HN PHE 10 2.589 -11.580 -6.022 58 HA PHE 10 HA PHE 10 1.049 -13.250 -7.695 59 HB2 PHE 10 HB2 PHE 10 0.153 -12.205 -5.650 60 HB3 PHE 10 HB1 PHE 10 0.252 -10.625 -6.422 61 HD1 PHE 10 HD2 PHE 10 -0.957 -13.908 -7.704 62 HD2 PHE 10 HD1 PHE 10 -1.897 -9.877 -6.728 63 HE1 PHE 10 HE2 PHE 10 -3.216 -14.220 -8.619 64 HE2 PHE 10 HE1 PHE 10 -4.163 -10.181 -7.640 65 HZ PHE 10 HZ PHE 10 -4.825 -12.356 -8.588 66 H PHE 11 HN PHE 11 1.920 -9.806 -8.021 67 HA PHE 11 HA PHE 11 0.712 -9.706 -10.651 68 HB2 PHE 11 HB2 PHE 11 2.213 -7.620 -9.063 69 HB3 PHE 11 HB1 PHE 11 1.556 -7.339 -10.672 70 HD1 PHE 11 HD2 PHE 11 -0.925 -7.541 -11.021 71 HD2 PHE 11 HD1 PHE 11 0.851 -7.459 -7.156 72 HE1 PHE 11 HE2 PHE 11 -3.101 -6.951 -10.038 73 HE2 PHE 11 HE1 PHE 11 -1.320 -6.874 -6.165 74 HZ PHE 11 HZ PHE 11 -3.301 -6.616 -7.606 75 HN1 NH2 12 H2 PHE 11 4.790 -9.380 -10.960 76 HN2 NH2 12 H1 PHE 11 3.983 -8.807 -9.544 Start of MODEL 7 1 H1 HIS 1 HT1 HIS 1 7.522 -12.126 2.478 2 H2 HIS 1 HT2 HIS 1 8.171 -10.957 1.445 3 H3 HIS 1 HT3 HIS 1 6.497 -11.056 1.664 4 HA HIS 1 HA HIS 1 7.295 -10.734 4.188 5 HB2 HIS 1 HB2 HIS 1 9.154 -9.105 2.440 6 HB3 HIS 1 HB1 HIS 1 9.005 -8.955 4.187 7 HD1 HIS 1 HD1 HIS 1 9.385 -11.560 5.355 8 HD2 HIS 1 HD2 HIS 1 11.333 -10.555 1.824 9 HE1 HIS 1 HE1 HIS 1 11.339 -13.135 5.192 10 HE2 HIS 1 HE2 HIS 1 12.459 -12.557 3.011 11 H ALA 2 HN ALA 2 5.928 -9.340 5.043 12 HA ALA 2 HA ALA 2 4.236 -7.838 5.212 13 HB1 ALA 2 HB1 ALA 2 6.279 -6.381 4.966 14 HB2 ALA 2 HB2 ALA 2 4.746 -5.617 4.546 15 HB3 ALA 2 HB3 ALA 2 5.832 -6.174 3.272 16 H GLU 3 HN GLU 3 3.694 -5.908 2.866 17 HA GLU 3 HA GLU 3 2.140 -7.806 1.237 18 HB2 GLU 3 HB2 GLU 3 0.480 -6.009 0.936 19 HB3 GLU 3 HB1 GLU 3 0.684 -6.436 2.628 20 HG2 GLU 3 HG2 GLU 3 2.089 -4.475 2.966 21 HG3 GLU 3 HG1 GLU 3 1.917 -4.051 1.264 22 H GLY 4 HN GLY 4 4.839 -7.012 0.690 23 HA2 GLY 4 HA2 GLY 4 4.447 -5.452 -1.791 24 HA3 GLY 4 HA1 GLY 4 5.904 -5.348 -0.814 25 H THR 5 HN THR 5 6.457 -7.984 -0.273 26 HA THR 5 HA THR 5 7.691 -8.829 -2.670 27 HB THR 5 HB THR 5 7.198 -10.450 -0.163 28 HG1 THR 5 HG1 THR 5 8.467 -8.825 0.513 29 HG21 THR 5 HG21 THR 5 9.029 -10.847 -2.521 30 HG22 THR 5 HG22 THR 5 7.825 -11.961 -1.873 31 HG23 THR 5 HG23 THR 5 9.301 -11.632 -0.966 32 H PHE 6 HN PHE 6 4.845 -10.051 -0.915 33 HA PHE 6 HA PHE 6 4.266 -12.203 -2.621 34 HB2 PHE 6 HB2 PHE 6 3.260 -11.902 -0.376 35 HB3 PHE 6 HB1 PHE 6 2.324 -10.546 -0.992 36 HD1 PHE 6 HD1 PHE 6 2.995 -13.817 -2.627 37 HD2 PHE 6 HD2 PHE 6 0.125 -11.270 -0.783 38 HE1 PHE 6 HE1 PHE 6 1.201 -15.362 -3.293 39 HE2 PHE 6 HE2 PHE 6 -1.673 -12.812 -1.447 40 HZ PHE 6 HZ PHE 6 -1.136 -14.861 -2.703 41 H THR 7 HN THR 7 3.286 -8.801 -2.720 42 HA THR 7 HA THR 7 1.414 -8.913 -4.779 43 HB THR 7 HB THR 7 3.368 -6.688 -4.158 44 HG1 THR 7 HG1 THR 7 2.143 -6.730 -2.401 45 HG21 THR 7 HG21 THR 7 2.513 -6.201 -6.300 46 HG22 THR 7 HG22 THR 7 1.500 -5.278 -5.192 47 HG23 THR 7 HG23 THR 7 0.902 -6.786 -5.883 48 H SER 8 HN SER 8 4.919 -8.358 -4.966 49 HA SER 8 HA SER 8 5.043 -8.225 -7.791 50 HB2 SER 8 HB2 SER 8 6.806 -7.298 -6.348 51 HB3 SER 8 HB1 SER 8 7.222 -8.924 -5.806 52 HG SER 8 HG SER 8 8.318 -9.210 -7.576 53 H ASP 9 HN ASP 9 5.165 -10.879 -5.506 54 HA ASP 9 HA ASP 9 6.295 -12.876 -7.070 55 HB2 ASP 9 HB2 ASP 9 5.781 -13.042 -4.637 56 HB3 ASP 9 HB1 ASP 9 4.079 -13.214 -5.037 57 H PHE 10 HN PHE 10 2.786 -12.193 -6.669 58 HA PHE 10 HA PHE 10 2.187 -13.998 -8.843 59 HB2 PHE 10 HB2 PHE 10 -0.195 -13.404 -8.392 60 HB3 PHE 10 HB1 PHE 10 0.663 -14.073 -7.014 61 HD1 PHE 10 HD2 PHE 10 -0.346 -10.812 -8.504 62 HD2 PHE 10 HD1 PHE 10 0.550 -13.005 -4.974 63 HE1 PHE 10 HE2 PHE 10 -1.073 -8.900 -7.140 64 HE2 PHE 10 HE1 PHE 10 -0.185 -11.101 -3.601 65 HZ PHE 10 HZ PHE 10 -0.995 -9.044 -4.684 66 H PHE 11 HN PHE 11 2.043 -10.482 -8.347 67 HA PHE 11 HA PHE 11 1.060 -10.058 -11.037 68 HB2 PHE 11 HB2 PHE 11 1.465 -8.401 -8.645 69 HB3 PHE 11 HB1 PHE 11 1.823 -7.576 -10.155 70 HD1 PHE 11 HD2 PHE 11 -0.710 -10.204 -10.114 71 HD2 PHE 11 HD1 PHE 11 -0.007 -6.021 -9.763 72 HE1 PHE 11 HE2 PHE 11 -3.106 -9.776 -10.455 73 HE2 PHE 11 HE1 PHE 11 -2.403 -5.587 -10.107 74 HZ PHE 11 HZ PHE 11 -3.956 -7.466 -10.453 75 HN1 NH2 12 H2 PHE 11 5.011 -8.992 -10.708 76 HN2 NH2 12 H1 PHE 11 4.011 -9.060 -9.302 Start of MODEL 8 1 H1 HIS 1 HT1 HIS 1 10.038 -7.572 4.072 2 H2 HIS 1 HT2 HIS 1 10.137 -5.923 3.719 3 H3 HIS 1 HT3 HIS 1 9.855 -7.037 2.477 4 HA HIS 1 HA HIS 1 8.022 -6.514 4.746 5 HB2 HIS 1 HB2 HIS 1 6.638 -5.691 2.589 6 HB3 HIS 1 HB1 HIS 1 7.619 -4.624 3.577 7 HD1 HIS 1 HD1 HIS 1 10.106 -4.154 2.585 8 HD2 HIS 1 HD2 HIS 1 7.342 -5.800 -0.044 9 HE1 HIS 1 HE1 HIS 1 11.065 -3.795 0.290 10 HE2 HIS 1 HE2 HIS 1 9.337 -4.727 -1.289 11 H ALA 2 HN ALA 2 6.425 -7.890 5.000 12 HA ALA 2 HA ALA 2 6.384 -10.330 3.478 13 HB1 ALA 2 HB1 ALA 2 6.004 -10.521 5.818 14 HB2 ALA 2 HB2 ALA 2 4.489 -10.927 5.011 15 HB3 ALA 2 HB3 ALA 2 4.690 -9.346 5.765 16 H GLU 3 HN GLU 3 4.050 -7.685 4.007 17 HA GLU 3 HA GLU 3 2.071 -8.687 2.263 18 HB2 GLU 3 HB2 GLU 3 2.630 -5.947 3.374 19 HB3 GLU 3 HB1 GLU 3 1.323 -6.215 2.234 20 HG2 GLU 3 HG2 GLU 3 0.478 -6.217 4.489 21 HG3 GLU 3 HG1 GLU 3 0.304 -7.818 3.778 22 H GLY 4 HN GLY 4 4.681 -6.331 1.778 23 HA2 GLY 4 HA2 GLY 4 4.074 -5.606 -0.858 24 HA3 GLY 4 HA1 GLY 4 5.669 -5.526 -0.128 25 H THR 5 HN THR 5 6.137 -8.249 0.363 26 HA THR 5 HA THR 5 7.164 -9.123 -2.073 27 HB THR 5 HB THR 5 6.464 -10.747 0.383 28 HG1 THR 5 HG1 THR 5 8.918 -9.645 -0.574 29 HG21 THR 5 HG21 THR 5 7.940 -11.515 -2.127 30 HG22 THR 5 HG22 THR 5 6.597 -12.349 -1.344 31 HG23 THR 5 HG23 THR 5 8.193 -12.352 -0.595 32 H PHE 6 HN PHE 6 4.153 -10.131 -0.435 33 HA PHE 6 HA PHE 6 3.294 -12.044 -2.258 34 HB2 PHE 6 HB2 PHE 6 2.205 -11.667 -0.088 35 HB3 PHE 6 HB1 PHE 6 1.591 -10.119 -0.658 36 HD1 PHE 6 HD1 PHE 6 1.703 -13.412 -2.393 37 HD2 PHE 6 HD2 PHE 6 -0.712 -10.353 -0.680 38 HE1 PHE 6 HE1 PHE 6 -0.313 -14.529 -3.249 39 HE2 PHE 6 HE2 PHE 6 -2.733 -11.468 -1.533 40 HZ PHE 6 HZ PHE 6 -2.535 -13.558 -2.821 41 H THR 7 HN THR 7 2.850 -8.522 -2.330 42 HA THR 7 HA THR 7 1.114 -8.325 -4.494 43 HB THR 7 HB THR 7 3.357 -6.414 -3.811 44 HG1 THR 7 HG1 THR 7 2.158 -6.281 -2.044 45 HG21 THR 7 HG21 THR 7 2.530 -5.849 -5.965 46 HG22 THR 7 HG22 THR 7 1.758 -4.739 -4.834 47 HG23 THR 7 HG23 THR 7 0.859 -6.115 -5.471 48 H SER 8 HN SER 8 4.647 -8.507 -4.434 49 HA SER 8 HA SER 8 5.070 -8.246 -7.208 50 HB2 SER 8 HB2 SER 8 6.880 -7.948 -5.592 51 HB3 SER 8 HB1 SER 8 6.766 -9.643 -5.123 52 HG SER 8 HG SER 8 7.920 -8.492 -7.356 53 H ASP 9 HN ASP 9 4.351 -11.055 -5.183 54 HA ASP 9 HA ASP 9 4.996 -13.089 -6.978 55 HB2 ASP 9 HB2 ASP 9 2.965 -12.943 -4.762 56 HB3 ASP 9 HB1 ASP 9 3.163 -14.396 -5.732 57 H PHE 10 HN PHE 10 1.737 -11.634 -6.459 58 HA PHE 10 HA PHE 10 0.766 -12.987 -8.814 59 HB2 PHE 10 HB2 PHE 10 -1.379 -11.812 -8.363 60 HB3 PHE 10 HB1 PHE 10 -0.787 -12.758 -7.008 61 HD1 PHE 10 HD1 PHE 10 -0.875 -9.269 -8.317 62 HD2 PHE 10 HD2 PHE 10 -0.662 -11.808 -4.910 63 HE1 PHE 10 HE1 PHE 10 -1.129 -7.314 -6.850 64 HE2 PHE 10 HE2 PHE 10 -0.917 -9.856 -3.437 65 HZ PHE 10 HZ PHE 10 -1.154 -7.605 -4.407 66 H PHE 11 HN PHE 11 2.952 -11.186 -9.272 67 HA PHE 11 HA PHE 11 1.697 -9.471 -11.299 68 HB2 PHE 11 HB2 PHE 11 3.505 -8.634 -9.114 69 HB3 PHE 11 HB1 PHE 11 3.923 -8.018 -10.708 70 HD1 PHE 11 HD2 PHE 11 0.677 -8.563 -8.938 71 HD2 PHE 11 HD1 PHE 11 3.268 -5.842 -10.929 72 HE1 PHE 11 HE2 PHE 11 -1.015 -6.794 -8.709 73 HE2 PHE 11 HE1 PHE 11 1.584 -4.064 -10.701 74 HZ PHE 11 HZ PHE 11 -0.563 -4.540 -9.591 75 HN1 NH2 12 H2 PHE 11 5.483 -11.009 -11.762 76 HN2 NH2 12 H1 PHE 11 4.926 -10.528 -10.199 Start of MODEL 9 1 H1 HIS 1 HT1 HIS 1 6.301 -10.549 2.376 2 H2 HIS 1 HT2 HIS 1 7.383 -11.837 2.558 3 H3 HIS 1 HT3 HIS 1 7.545 -10.776 1.253 4 HA HIS 1 HA HIS 1 8.285 -10.412 4.058 5 HB2 HIS 1 HB2 HIS 1 9.518 -9.273 1.543 6 HB3 HIS 1 HB1 HIS 1 10.283 -9.513 3.108 7 HD1 HIS 1 HD1 HIS 1 10.051 -12.338 3.756 8 HD2 HIS 1 HD2 HIS 1 10.470 -11.100 -0.189 9 HE1 HIS 1 HE1 HIS 1 10.896 -14.350 2.506 10 HE2 HIS 1 HE2 HIS 1 11.043 -13.604 0.104 11 H ALA 2 HN ALA 2 7.794 -8.634 5.190 12 HA ALA 2 HA ALA 2 6.907 -6.626 5.778 13 HB1 ALA 2 HB1 ALA 2 7.781 -5.598 3.095 14 HB2 ALA 2 HB2 ALA 2 8.923 -5.948 4.392 15 HB3 ALA 2 HB3 ALA 2 7.672 -4.728 4.626 16 H GLU 3 HN GLU 3 5.203 -8.531 4.305 17 HA GLU 3 HA GLU 3 3.141 -8.699 3.359 18 HB2 GLU 3 HB2 GLU 3 2.807 -5.948 4.567 19 HB3 GLU 3 HB1 GLU 3 1.501 -7.006 4.055 20 HG2 GLU 3 HG2 GLU 3 2.211 -8.653 5.745 21 HG3 GLU 3 HG1 GLU 3 3.461 -7.530 6.280 22 H GLY 4 HN GLY 4 5.261 -7.519 1.675 23 HA2 GLY 4 HA2 GLY 4 3.527 -6.020 -0.190 24 HA3 GLY 4 HA1 GLY 4 5.212 -5.603 0.055 25 H THR 5 HN THR 5 6.327 -8.193 0.054 26 HA THR 5 HA THR 5 6.881 -8.585 -2.610 27 HB THR 5 HB THR 5 7.002 -10.712 -0.469 28 HG1 THR 5 HG1 THR 5 8.220 -8.929 0.159 29 HG21 THR 5 HG21 THR 5 7.236 -11.589 -2.764 30 HG22 THR 5 HG22 THR 5 8.735 -11.725 -1.845 31 HG23 THR 5 HG23 THR 5 8.550 -10.449 -3.050 32 H PHE 6 HN PHE 6 4.472 -10.402 -0.680 33 HA PHE 6 HA PHE 6 3.748 -12.260 -2.614 34 HB2 PHE 6 HB2 PHE 6 2.951 -12.361 -0.287 35 HB3 PHE 6 HB1 PHE 6 1.930 -10.956 -0.574 36 HD1 PHE 6 HD2 PHE 6 2.556 -14.181 -2.373 37 HD2 PHE 6 HD1 PHE 6 -0.289 -11.496 -0.693 38 HE1 PHE 6 HE2 PHE 6 0.732 -15.658 -3.107 39 HE2 PHE 6 HE1 PHE 6 -2.116 -12.971 -1.424 40 HZ PHE 6 HZ PHE 6 -1.608 -15.055 -2.633 41 H THR 7 HN THR 7 2.548 -8.960 -2.137 42 HA THR 7 HA THR 7 0.497 -8.965 -4.029 43 HB THR 7 HB THR 7 2.278 -6.636 -3.280 44 HG1 THR 7 HG1 THR 7 1.260 -6.713 -1.431 45 HG21 THR 7 HG21 THR 7 0.852 -6.324 -5.314 46 HG22 THR 7 HG22 THR 7 0.472 -5.220 -3.993 47 HG23 THR 7 HG23 THR 7 -0.563 -6.615 -4.302 48 H SER 8 HN SER 8 3.869 -7.873 -4.423 49 HA SER 8 HA SER 8 3.654 -7.384 -7.211 50 HB2 SER 8 HB2 SER 8 5.385 -6.323 -5.830 51 HB3 SER 8 HB1 SER 8 6.121 -7.896 -5.530 52 HG SER 8 HG SER 8 6.182 -6.303 -7.803 53 H ASP 9 HN ASP 9 4.802 -10.129 -5.318 54 HA ASP 9 HA ASP 9 5.977 -11.738 -7.185 55 HB2 ASP 9 HB2 ASP 9 5.770 -12.221 -4.756 56 HB3 ASP 9 HB1 ASP 9 4.088 -12.656 -5.006 57 H PHE 10 HN PHE 10 2.491 -11.418 -6.558 58 HA PHE 10 HA PHE 10 1.482 -13.443 -8.094 59 HB2 PHE 10 HB2 PHE 10 0.115 -11.924 -6.702 60 HB3 PHE 10 HB1 PHE 10 0.326 -10.655 -7.904 61 HD1 PHE 10 HD1 PHE 10 -0.466 -14.285 -8.213 62 HD2 PHE 10 HD2 PHE 10 -1.696 -10.277 -8.934 63 HE1 PHE 10 HE1 PHE 10 -2.435 -15.114 -9.429 64 HE2 PHE 10 HE2 PHE 10 -3.669 -11.097 -10.151 65 HZ PHE 10 HZ PHE 10 -4.040 -13.520 -10.400 66 H PHE 11 HN PHE 11 2.305 -10.173 -9.271 67 HA PHE 11 HA PHE 11 1.860 -11.029 -12.015 68 HB2 PHE 11 HB2 PHE 11 2.607 -8.364 -10.815 69 HB3 PHE 11 HB1 PHE 11 2.555 -8.643 -12.552 70 HD1 PHE 11 HD2 PHE 11 0.485 -8.694 -9.472 71 HD2 PHE 11 HD1 PHE 11 0.539 -8.561 -13.725 72 HE1 PHE 11 HE2 PHE 11 -1.928 -8.205 -9.486 73 HE2 PHE 11 HE1 PHE 11 -1.870 -8.071 -13.744 74 HZ PHE 11 HZ PHE 11 -3.107 -7.894 -11.623 75 HN1 NH2 12 H2 PHE 11 5.818 -10.167 -11.317 76 HN2 NH2 12 H1 PHE 11 4.585 -9.364 -10.412 Start of MODEL 10 1 H1 HIS 1 HT1 HIS 1 7.766 -11.223 2.551 2 H2 HIS 1 HT2 HIS 1 9.450 -11.353 2.583 3 H3 HIS 1 HT3 HIS 1 8.696 -10.465 1.360 4 HA HIS 1 HA HIS 1 9.045 -9.782 4.204 5 HB2 HIS 1 HB2 HIS 1 9.475 -8.261 1.622 6 HB3 HIS 1 HB1 HIS 1 9.838 -7.660 3.236 7 HD1 HIS 1 HD1 HIS 1 11.591 -9.483 4.559 8 HD2 HIS 1 HD2 HIS 1 11.692 -9.192 0.413 9 HE1 HIS 1 HE1 HIS 1 13.835 -10.392 3.874 10 HE2 HIS 1 HE2 HIS 1 13.885 -10.178 1.364 11 H ALA 2 HN ALA 2 7.341 -9.174 5.276 12 HA ALA 2 HA ALA 2 5.219 -8.480 5.767 13 HB1 ALA 2 HB1 ALA 2 6.693 -6.423 5.534 14 HB2 ALA 2 HB2 ALA 2 4.949 -6.164 5.484 15 HB3 ALA 2 HB3 ALA 2 5.887 -6.153 3.989 16 H GLU 3 HN GLU 3 3.775 -6.569 3.851 17 HA GLU 3 HA GLU 3 2.532 -8.670 2.222 18 HB2 GLU 3 HB2 GLU 3 1.463 -6.017 3.190 19 HB3 GLU 3 HB1 GLU 3 0.594 -7.086 2.099 20 HG2 GLU 3 HG2 GLU 3 1.500 -7.862 4.860 21 HG3 GLU 3 HG1 GLU 3 -0.105 -7.247 4.475 22 H GLY 4 HN GLY 4 4.924 -6.670 1.685 23 HA2 GLY 4 HA2 GLY 4 3.959 -5.291 -0.683 24 HA3 GLY 4 HA1 GLY 4 5.593 -5.246 -0.034 25 H THR 5 HN THR 5 6.377 -7.799 0.044 26 HA THR 5 HA THR 5 7.059 -8.362 -2.618 27 HB THR 5 HB THR 5 7.929 -10.524 -1.789 28 HG1 THR 5 HG1 THR 5 6.706 -9.694 0.653 29 HG21 THR 5 HG21 THR 5 8.594 -8.139 -0.062 30 HG22 THR 5 HG22 THR 5 9.309 -8.525 -1.626 31 HG23 THR 5 HG23 THR 5 9.595 -9.580 -0.242 32 H PHE 6 HN PHE 6 4.594 -9.803 -0.499 33 HA PHE 6 HA PHE 6 3.759 -11.941 -1.996 34 HB2 PHE 6 HB2 PHE 6 2.801 -11.400 0.195 35 HB3 PHE 6 HB1 PHE 6 1.980 -10.004 -0.497 36 HD1 PHE 6 HD2 PHE 6 2.319 -13.637 -1.332 37 HD2 PHE 6 HD1 PHE 6 -0.269 -10.297 -0.812 38 HE1 PHE 6 HE2 PHE 6 0.386 -15.052 -1.891 39 HE2 PHE 6 HE1 PHE 6 -2.206 -11.708 -1.371 40 HZ PHE 6 HZ PHE 6 -1.880 -14.090 -1.906 41 H THR 7 HN THR 7 2.884 -8.541 -2.452 42 HA THR 7 HA THR 7 1.063 -9.015 -4.585 43 HB THR 7 HB THR 7 2.532 -6.471 -3.864 44 HG1 THR 7 HG1 THR 7 -0.014 -7.497 -3.089 45 HG21 THR 7 HG21 THR 7 1.723 -6.040 -5.992 46 HG22 THR 7 HG22 THR 7 0.373 -5.519 -4.984 47 HG23 THR 7 HG23 THR 7 0.321 -7.090 -5.782 48 H SER 8 HN SER 8 4.490 -8.043 -4.467 49 HA SER 8 HA SER 8 4.857 -7.548 -7.186 50 HB2 SER 8 HB2 SER 8 7.247 -7.845 -6.794 51 HB3 SER 8 HB1 SER 8 6.514 -6.947 -5.468 52 HG SER 8 HG SER 8 7.783 -9.355 -5.444 53 H ASP 9 HN ASP 9 5.284 -10.647 -5.431 54 HA ASP 9 HA ASP 9 6.010 -12.036 -7.834 55 HB2 ASP 9 HB2 ASP 9 6.027 -14.056 -6.524 56 HB3 ASP 9 HB1 ASP 9 6.772 -12.775 -5.578 57 H PHE 10 HN PHE 10 3.014 -11.612 -6.004 58 HA PHE 10 HA PHE 10 1.441 -13.552 -7.227 59 HB2 PHE 10 HB2 PHE 10 0.720 -12.244 -5.266 60 HB3 PHE 10 HB1 PHE 10 0.570 -10.813 -6.276 61 HD1 PHE 10 HD2 PHE 10 -0.548 -14.358 -6.683 62 HD2 PHE 10 HD1 PHE 10 -1.642 -10.246 -6.519 63 HE1 PHE 10 HE2 PHE 10 -2.882 -14.962 -7.183 64 HE2 PHE 10 HE1 PHE 10 -3.977 -10.846 -7.016 65 HZ PHE 10 HZ PHE 10 -4.598 -13.205 -7.348 66 H PHE 11 HN PHE 11 1.963 -10.168 -8.222 67 HA PHE 11 HA PHE 11 0.478 -10.614 -10.678 68 HB2 PHE 11 HB2 PHE 11 1.802 -8.191 -9.483 69 HB3 PHE 11 HB1 PHE 11 1.214 -8.191 -11.143 70 HD1 PHE 11 HD1 PHE 11 -1.266 -9.064 -11.405 71 HD2 PHE 11 HD2 PHE 11 0.380 -7.437 -7.833 72 HE1 PHE 11 HE1 PHE 11 -3.529 -8.495 -10.629 73 HE2 PHE 11 HE2 PHE 11 -1.882 -6.868 -7.048 74 HZ PHE 11 HZ PHE 11 -3.839 -7.395 -8.447 75 HN1 NH2 12 H2 PHE 11 4.509 -10.185 -11.325 76 HN2 NH2 12 H1 PHE 11 3.789 -9.570 -9.880 Start of MODEL 11 1 H1 HIS 1 HT1 HIS 1 9.996 -6.535 3.605 2 H2 HIS 1 HT2 HIS 1 9.406 -6.925 2.068 3 H3 HIS 1 HT3 HIS 1 9.751 -8.153 3.178 4 HA HIS 1 HA HIS 1 8.014 -7.240 4.664 5 HB2 HIS 1 HB2 HIS 1 7.443 -5.581 2.195 6 HB3 HIS 1 HB1 HIS 1 6.380 -5.694 3.594 7 HD1 HIS 1 HD1 HIS 1 7.899 -5.077 5.950 8 HD2 HIS 1 HD2 HIS 1 8.908 -3.328 2.318 9 HE1 HIS 1 HE1 HIS 1 9.221 -3.021 6.538 10 HE2 HIS 1 HE2 HIS 1 9.893 -2.026 4.323 11 H ALA 2 HN ALA 2 6.334 -8.624 4.782 12 HA ALA 2 HA ALA 2 6.029 -10.689 2.901 13 HB1 ALA 2 HB1 ALA 2 4.066 -11.354 4.226 14 HB2 ALA 2 HB2 ALA 2 4.157 -9.827 5.103 15 HB3 ALA 2 HB3 ALA 2 5.467 -11.001 5.238 16 H GLU 3 HN GLU 3 4.107 -7.765 3.479 17 HA GLU 3 HA GLU 3 2.063 -8.357 1.616 18 HB2 GLU 3 HB2 GLU 3 3.004 -5.743 2.796 19 HB3 GLU 3 HB1 GLU 3 1.620 -5.864 1.720 20 HG2 GLU 3 HG2 GLU 3 0.875 -5.799 4.004 21 HG3 GLU 3 HG1 GLU 3 0.532 -7.383 3.314 22 H GLY 4 HN GLY 4 5.132 -6.622 1.323 23 HA2 GLY 4 HA2 GLY 4 4.692 -5.678 -1.327 24 HA3 GLY 4 HA1 GLY 4 6.240 -5.770 -0.500 25 H THR 5 HN THR 5 6.375 -8.496 -0.003 26 HA THR 5 HA THR 5 7.381 -9.457 -2.451 27 HB THR 5 HB THR 5 7.605 -11.636 -1.258 28 HG1 THR 5 HG1 THR 5 6.531 -11.964 0.530 29 HG21 THR 5 HG21 THR 5 9.502 -10.341 -1.011 30 HG22 THR 5 HG22 THR 5 9.038 -10.613 0.668 31 HG23 THR 5 HG23 THR 5 8.650 -9.082 -0.117 32 H PHE 6 HN PHE 6 4.442 -10.256 -0.629 33 HA PHE 6 HA PHE 6 3.453 -12.250 -2.314 34 HB2 PHE 6 HB2 PHE 6 2.187 -10.335 -0.390 35 HB3 PHE 6 HB1 PHE 6 1.168 -11.343 -1.406 36 HD1 PHE 6 HD2 PHE 6 4.416 -12.235 0.167 37 HD2 PHE 6 HD1 PHE 6 0.198 -12.807 0.122 38 HE1 PHE 6 HE2 PHE 6 4.654 -14.087 1.766 39 HE2 PHE 6 HE1 PHE 6 0.431 -14.660 1.722 40 HZ PHE 6 HZ PHE 6 2.660 -15.303 2.546 41 H THR 7 HN THR 7 3.066 -8.726 -2.449 42 HA THR 7 HA THR 7 1.202 -8.574 -4.525 43 HB THR 7 HB THR 7 3.451 -6.650 -3.888 44 HG1 THR 7 HG1 THR 7 2.216 -6.441 -2.162 45 HG21 THR 7 HG21 THR 7 1.923 -4.977 -4.985 46 HG22 THR 7 HG22 THR 7 0.977 -6.338 -5.587 47 HG23 THR 7 HG23 THR 7 2.658 -6.144 -6.085 48 H SER 8 HN SER 8 4.747 -8.717 -4.636 49 HA SER 8 HA SER 8 5.036 -8.440 -7.420 50 HB2 SER 8 HB2 SER 8 6.914 -8.170 -5.861 51 HB3 SER 8 HB1 SER 8 6.836 -9.885 -5.458 52 HG SER 8 HG SER 8 7.824 -10.357 -7.265 53 H ASP 9 HN ASP 9 4.672 -11.333 -5.387 54 HA ASP 9 HA ASP 9 5.011 -13.208 -7.488 55 HB2 ASP 9 HB2 ASP 9 3.610 -13.522 -4.824 56 HB3 ASP 9 HB1 ASP 9 4.044 -14.845 -5.902 57 H PHE 10 HN PHE 10 2.100 -11.847 -5.953 58 HA PHE 10 HA PHE 10 0.245 -13.333 -7.482 59 HB2 PHE 10 HB2 PHE 10 0.003 -10.795 -5.880 60 HB3 PHE 10 HB1 PHE 10 -1.365 -11.475 -6.752 61 HD1 PHE 10 HD1 PHE 10 1.301 -13.235 -4.820 62 HD2 PHE 10 HD2 PHE 10 -2.815 -12.186 -5.100 63 HE1 PHE 10 HE1 PHE 10 0.804 -14.694 -2.908 64 HE2 PHE 10 HE2 PHE 10 -3.318 -13.646 -3.186 65 HZ PHE 10 HZ PHE 10 -1.508 -14.902 -2.087 66 H PHE 11 HN PHE 11 1.423 -9.992 -7.843 67 HA PHE 11 HA PHE 11 -0.077 -9.488 -10.210 68 HB2 PHE 11 HB2 PHE 11 2.261 -8.067 -8.939 69 HB3 PHE 11 HB1 PHE 11 1.530 -7.517 -10.441 70 HD1 PHE 11 HD2 PHE 11 -0.009 -8.817 -7.288 71 HD2 PHE 11 HD1 PHE 11 0.419 -5.560 -9.995 72 HE1 PHE 11 HE2 PHE 11 -1.682 -7.545 -6.015 73 HE2 PHE 11 HE1 PHE 11 -1.254 -4.282 -8.723 74 HZ PHE 11 HZ PHE 11 -2.307 -5.274 -6.731 75 HN1 NH2 12 H2 PHE 11 3.731 -10.544 -11.339 76 HN2 NH2 12 H1 PHE 11 3.437 -9.912 -9.758 Start of MODEL 12 1 H1 HIS 1 HT1 HIS 1 9.301 -9.454 2.037 2 H2 HIS 1 HT2 HIS 1 10.109 -7.976 1.871 3 H3 HIS 1 HT3 HIS 1 8.796 -8.339 0.870 4 HA HIS 1 HA HIS 1 8.755 -7.762 3.773 5 HB2 HIS 1 HB2 HIS 1 7.289 -6.497 1.445 6 HB3 HIS 1 HB1 HIS 1 7.253 -5.960 3.117 7 HD1 HIS 1 HD1 HIS 1 9.842 -5.336 4.020 8 HD2 HIS 1 HD2 HIS 1 9.004 -5.032 -0.041 9 HE1 HIS 1 HE1 HIS 1 11.592 -3.792 3.085 10 HE2 HIS 1 HE2 HIS 1 11.026 -3.568 0.639 11 H ALA 2 HN ALA 2 6.761 -8.046 4.868 12 HA ALA 2 HA ALA 2 5.387 -10.414 4.312 13 HB1 ALA 2 HB1 ALA 2 3.933 -9.848 6.102 14 HB2 ALA 2 HB2 ALA 2 4.312 -8.132 5.948 15 HB3 ALA 2 HB3 ALA 2 5.540 -9.260 6.524 16 H GLU 3 HN GLU 3 4.300 -7.036 3.848 17 HA GLU 3 HA GLU 3 2.153 -8.023 2.104 18 HB2 GLU 3 HB2 GLU 3 1.196 -5.766 2.291 19 HB3 GLU 3 HB1 GLU 3 1.417 -6.513 3.865 20 HG2 GLU 3 HG2 GLU 3 3.404 -5.189 4.251 21 HG3 GLU 3 HG1 GLU 3 3.279 -4.487 2.641 22 H GLY 4 HN GLY 4 5.033 -7.874 1.383 23 HA2 GLY 4 HA2 GLY 4 4.805 -6.034 -0.914 24 HA3 GLY 4 HA1 GLY 4 6.321 -6.353 -0.086 25 H THR 5 HN THR 5 6.032 -9.172 0.209 26 HA THR 5 HA THR 5 7.133 -10.065 -2.189 27 HB THR 5 HB THR 5 5.763 -11.723 -0.059 28 HG1 THR 5 HG1 THR 5 7.479 -11.166 1.045 29 HG21 THR 5 HG21 THR 5 7.662 -12.507 -2.276 30 HG22 THR 5 HG22 THR 5 5.996 -13.046 -2.061 31 HG23 THR 5 HG23 THR 5 7.241 -13.548 -0.916 32 H PHE 6 HN PHE 6 3.796 -10.395 -0.993 33 HA PHE 6 HA PHE 6 2.807 -11.929 -3.130 34 HB2 PHE 6 HB2 PHE 6 1.592 -11.578 -0.996 35 HB3 PHE 6 HB1 PHE 6 1.318 -9.898 -1.443 36 HD1 PHE 6 HD1 PHE 6 0.555 -13.398 -2.382 37 HD2 PHE 6 HD2 PHE 6 -0.473 -9.292 -2.844 38 HE1 PHE 6 HE1 PHE 6 -1.506 -14.049 -3.559 39 HE2 PHE 6 HE2 PHE 6 -2.536 -9.936 -4.019 40 HZ PHE 6 HZ PHE 6 -3.054 -12.317 -4.378 41 H THR 7 HN THR 7 3.020 -8.433 -2.651 42 HA THR 7 HA THR 7 1.616 -7.573 -4.886 43 HB THR 7 HB THR 7 3.995 -6.259 -3.566 44 HG1 THR 7 HG1 THR 7 2.605 -6.036 -1.987 45 HG21 THR 7 HG21 THR 7 1.925 -4.551 -4.736 46 HG22 THR 7 HG22 THR 7 2.799 -5.513 -5.928 47 HG23 THR 7 HG23 THR 7 3.682 -4.437 -4.845 48 H SER 8 HN SER 8 5.079 -8.292 -4.572 49 HA SER 8 HA SER 8 5.570 -7.650 -7.330 50 HB2 SER 8 HB2 SER 8 7.883 -8.624 -6.750 51 HB3 SER 8 HB1 SER 8 7.375 -7.153 -5.923 52 HG SER 8 HG SER 8 7.869 -9.653 -4.911 53 H ASP 9 HN ASP 9 5.619 -10.680 -5.434 54 HA ASP 9 HA ASP 9 6.160 -12.283 -7.737 55 HB2 ASP 9 HB2 ASP 9 5.289 -13.061 -4.953 56 HB3 ASP 9 HB1 ASP 9 5.748 -14.209 -6.207 57 H PHE 10 HN PHE 10 3.238 -12.295 -5.621 58 HA PHE 10 HA PHE 10 1.779 -13.622 -7.754 59 HB2 PHE 10 HB2 PHE 10 0.798 -12.791 -5.017 60 HB3 PHE 10 HB1 PHE 10 -0.066 -13.811 -6.158 61 HD1 PHE 10 HD2 PHE 10 2.706 -13.632 -3.784 62 HD2 PHE 10 HD1 PHE 10 0.559 -16.114 -6.493 63 HE1 PHE 10 HE2 PHE 10 3.767 -15.617 -2.797 64 HE2 PHE 10 HE1 PHE 10 1.611 -18.108 -5.508 65 HZ PHE 10 HZ PHE 10 3.220 -17.860 -3.658 66 H PHE 11 HN PHE 11 2.437 -11.314 -8.801 67 HA PHE 11 HA PHE 11 0.009 -10.102 -9.515 68 HB2 PHE 11 HB2 PHE 11 0.941 -9.130 -7.072 69 HB3 PHE 11 HB1 PHE 11 1.467 -7.927 -8.238 70 HD1 PHE 11 HD2 PHE 11 -1.639 -9.978 -8.262 71 HD2 PHE 11 HD1 PHE 11 0.096 -6.114 -7.840 72 HE1 PHE 11 HE2 PHE 11 -3.884 -8.975 -8.250 73 HE2 PHE 11 HE1 PHE 11 -2.147 -5.105 -7.825 74 HZ PHE 11 HZ PHE 11 -4.141 -6.536 -8.032 75 HN1 NH2 12 H2 PHE 11 3.694 -8.619 -10.589 76 HN2 NH2 12 H1 PHE 11 3.366 -9.038 -8.943 Start of MODEL 13 1 H1 HIS 1 HT1 HIS 1 9.850 -7.187 1.352 2 H2 HIS 1 HT2 HIS 1 10.181 -8.133 2.713 3 H3 HIS 1 HT3 HIS 1 10.600 -6.496 2.703 4 HA HIS 1 HA HIS 1 8.693 -6.459 3.957 5 HB2 HIS 1 HB2 HIS 1 7.860 -6.113 1.064 6 HB3 HIS 1 HB1 HIS 1 6.906 -5.571 2.440 7 HD1 HIS 1 HD1 HIS 1 7.498 -3.349 0.707 8 HD2 HIS 1 HD2 HIS 1 10.328 -4.650 3.458 9 HE1 HIS 1 HE1 HIS 1 9.050 -1.401 1.048 10 HE2 HIS 1 HE2 HIS 1 10.817 -2.251 2.630 11 H ALA 2 HN ALA 2 7.101 -7.626 4.896 12 HA ALA 2 HA ALA 2 6.628 -10.303 4.079 13 HB1 ALA 2 HB1 ALA 2 5.047 -10.393 5.935 14 HB2 ALA 2 HB2 ALA 2 5.124 -8.638 6.097 15 HB3 ALA 2 HB3 ALA 2 6.553 -9.618 6.426 16 H GLU 3 HN GLU 3 4.572 -7.397 4.046 17 HA GLU 3 HA GLU 3 2.443 -8.760 2.651 18 HB2 GLU 3 HB2 GLU 3 1.944 -7.032 4.314 19 HB3 GLU 3 HB1 GLU 3 2.803 -5.841 3.348 20 HG2 GLU 3 HG2 GLU 3 1.161 -6.126 1.552 21 HG3 GLU 3 HG1 GLU 3 0.298 -7.301 2.543 22 H GLY 4 HN GLY 4 4.927 -6.356 1.881 23 HA2 GLY 4 HA2 GLY 4 4.095 -5.701 -0.707 24 HA3 GLY 4 HA1 GLY 4 5.742 -5.585 -0.114 25 H THR 5 HN THR 5 6.278 -8.313 0.362 26 HA THR 5 HA THR 5 7.058 -9.159 -2.195 27 HB THR 5 HB THR 5 8.166 -9.919 -0.104 28 HG1 THR 5 HG1 THR 5 7.222 -12.102 -1.679 29 HG21 THR 5 HG21 THR 5 5.878 -10.435 1.006 30 HG22 THR 5 HG22 THR 5 7.245 -11.495 1.348 31 HG23 THR 5 HG23 THR 5 6.014 -11.990 0.186 32 H PHE 6 HN PHE 6 4.204 -9.955 -0.270 33 HA PHE 6 HA PHE 6 3.231 -12.120 -1.728 34 HB2 PHE 6 HB2 PHE 6 2.300 -11.283 0.440 35 HB3 PHE 6 HB1 PHE 6 1.563 -9.949 -0.440 36 HD1 PHE 6 HD1 PHE 6 1.804 -13.637 -0.957 37 HD2 PHE 6 HD2 PHE 6 -0.702 -10.207 -0.687 38 HE1 PHE 6 HE1 PHE 6 -0.162 -15.042 -1.419 39 HE2 PHE 6 HE2 PHE 6 -2.673 -11.608 -1.148 40 HZ PHE 6 HZ PHE 6 -2.404 -14.029 -1.515 41 H THR 7 HN THR 7 2.875 -8.646 -2.278 42 HA THR 7 HA THR 7 1.106 -8.847 -4.489 43 HB THR 7 HB THR 7 3.019 -6.610 -3.791 44 HG1 THR 7 HG1 THR 7 1.662 -6.583 -2.124 45 HG21 THR 7 HG21 THR 7 1.179 -5.274 -5.022 46 HG22 THR 7 HG22 THR 7 0.729 -6.831 -5.720 47 HG23 THR 7 HG23 THR 7 2.347 -6.180 -5.988 48 H SER 8 HN SER 8 4.623 -8.710 -4.176 49 HA SER 8 HA SER 8 5.298 -8.347 -6.863 50 HB2 SER 8 HB2 SER 8 6.910 -8.132 -5.008 51 HB3 SER 8 HB1 SER 8 6.840 -9.875 -4.752 52 HG SER 8 HG SER 8 8.219 -8.436 -6.624 53 H ASP 9 HN ASP 9 5.022 -11.422 -5.039 54 HA ASP 9 HA ASP 9 5.549 -13.059 -7.279 55 HB2 ASP 9 HB2 ASP 9 4.675 -14.921 -5.922 56 HB3 ASP 9 HB1 ASP 9 5.820 -13.932 -5.028 57 H PHE 10 HN PHE 10 2.595 -11.631 -6.035 58 HA PHE 10 HA PHE 10 0.689 -13.141 -7.403 59 HB2 PHE 10 HB2 PHE 10 0.020 -11.561 -5.696 60 HB3 PHE 10 HB1 PHE 10 0.656 -10.214 -6.633 61 HD1 PHE 10 HD1 PHE 10 -1.503 -13.085 -7.649 62 HD2 PHE 10 HD2 PHE 10 -1.130 -8.869 -7.174 63 HE1 PHE 10 HE1 PHE 10 -3.699 -12.773 -8.716 64 HE2 PHE 10 HE2 PHE 10 -3.324 -8.552 -8.237 65 HZ PHE 10 HZ PHE 10 -4.611 -10.504 -9.009 66 H PHE 11 HN PHE 11 2.518 -10.292 -8.465 67 HA PHE 11 HA PHE 11 1.234 -10.122 -11.011 68 HB2 PHE 11 HB2 PHE 11 3.699 -8.859 -9.835 69 HB3 PHE 11 HB1 PHE 11 3.296 -8.649 -11.534 70 HD1 PHE 11 HD2 PHE 11 0.657 -8.891 -8.996 71 HD2 PHE 11 HD1 PHE 11 3.082 -6.256 -11.305 72 HE1 PHE 11 HE2 PHE 11 -0.828 -7.021 -8.416 73 HE2 PHE 11 HE1 PHE 11 1.595 -4.382 -10.727 74 HZ PHE 11 HZ PHE 11 -0.361 -4.764 -9.280 75 HN1 NH2 12 H2 PHE 11 4.714 -12.267 -11.385 76 HN2 NH2 12 H1 PHE 11 4.432 -11.299 -9.982 Start of MODEL 14 1 H1 HIS 1 HT1 HIS 1 9.584 -7.143 2.297 2 H2 HIS 1 HT2 HIS 1 9.823 -8.309 3.500 3 H3 HIS 1 HT3 HIS 1 10.086 -6.674 3.844 4 HA HIS 1 HA HIS 1 8.020 -7.257 4.811 5 HB2 HIS 1 HB2 HIS 1 7.641 -5.761 2.204 6 HB3 HIS 1 HB1 HIS 1 6.505 -5.744 3.548 7 HD1 HIS 1 HD1 HIS 1 7.912 -4.994 5.933 8 HD2 HIS 1 HD2 HIS 1 9.168 -3.546 2.246 9 HE1 HIS 1 HE1 HIS 1 9.265 -2.937 6.443 10 HE2 HIS 1 HE2 HIS 1 9.945 -2.032 4.193 11 H ALA 2 HN ALA 2 6.326 -8.619 4.917 12 HA ALA 2 HA ALA 2 6.077 -10.768 3.115 13 HB1 ALA 2 HB1 ALA 2 4.076 -11.375 4.395 14 HB2 ALA 2 HB2 ALA 2 4.115 -9.803 5.194 15 HB3 ALA 2 HB3 ALA 2 5.424 -10.955 5.452 16 H GLU 3 HN GLU 3 4.109 -7.839 3.553 17 HA GLU 3 HA GLU 3 2.197 -8.486 1.564 18 HB2 GLU 3 HB2 GLU 3 1.515 -6.128 1.723 19 HB3 GLU 3 HB1 GLU 3 1.693 -6.866 3.308 20 HG2 GLU 3 HG2 GLU 3 3.884 -5.796 3.552 21 HG3 GLU 3 HG1 GLU 3 3.683 -5.043 1.971 22 H GLY 4 HN GLY 4 5.195 -6.595 1.500 23 HA2 GLY 4 HA2 GLY 4 4.957 -5.565 -1.102 24 HA3 GLY 4 HA1 GLY 4 6.467 -5.808 -0.238 25 H THR 5 HN THR 5 6.681 -8.494 0.009 26 HA THR 5 HA THR 5 7.498 -9.292 -2.573 27 HB THR 5 HB THR 5 8.599 -10.165 -0.564 28 HG1 THR 5 HG1 THR 5 8.994 -11.553 -2.164 29 HG21 THR 5 HG21 THR 5 6.433 -10.409 0.747 30 HG22 THR 5 HG22 THR 5 7.606 -11.712 0.923 31 HG23 THR 5 HG23 THR 5 6.198 -11.927 -0.118 32 H PHE 6 HN PHE 6 4.636 -10.087 -0.638 33 HA PHE 6 HA PHE 6 3.587 -12.100 -2.284 34 HB2 PHE 6 HB2 PHE 6 2.718 -11.683 -0.038 35 HB3 PHE 6 HB1 PHE 6 2.126 -10.103 -0.538 36 HD1 PHE 6 HD1 PHE 6 1.890 -13.493 -2.089 37 HD2 PHE 6 HD2 PHE 6 -0.170 -10.114 -0.521 38 HE1 PHE 6 HE1 PHE 6 -0.256 -14.501 -2.744 39 HE2 PHE 6 HE2 PHE 6 -2.319 -11.119 -1.171 40 HZ PHE 6 HZ PHE 6 -2.364 -13.315 -2.284 41 H THR 7 HN THR 7 3.210 -8.578 -2.377 42 HA THR 7 HA THR 7 1.278 -8.427 -4.403 43 HB THR 7 HB THR 7 3.479 -6.455 -3.750 44 HG1 THR 7 HG1 THR 7 2.278 -6.352 -1.988 45 HG21 THR 7 HG21 THR 7 1.017 -6.247 -5.466 46 HG22 THR 7 HG22 THR 7 2.678 -5.805 -5.861 47 HG23 THR 7 HG23 THR 7 1.751 -4.825 -4.725 48 H SER 8 HN SER 8 4.826 -8.407 -4.583 49 HA SER 8 HA SER 8 5.045 -8.057 -7.364 50 HB2 SER 8 HB2 SER 8 6.952 -9.448 -5.466 51 HB3 SER 8 HB1 SER 8 7.348 -8.910 -7.098 52 HG SER 8 HG SER 8 7.028 -7.443 -4.768 53 H ASP 9 HN ASP 9 5.046 -11.033 -5.400 54 HA ASP 9 HA ASP 9 5.325 -12.814 -7.584 55 HB2 ASP 9 HB2 ASP 9 5.811 -13.393 -5.205 56 HB3 ASP 9 HB1 ASP 9 4.085 -13.360 -4.875 57 H PHE 10 HN PHE 10 2.458 -11.924 -5.647 58 HA PHE 10 HA PHE 10 0.630 -13.306 -7.343 59 HB2 PHE 10 HB2 PHE 10 0.209 -12.826 -4.932 60 HB3 PHE 10 HB1 PHE 10 0.060 -11.118 -5.326 61 HD1 PHE 10 HD1 PHE 10 -1.286 -14.171 -6.999 62 HD2 PHE 10 HD2 PHE 10 -2.133 -10.508 -5.002 63 HE1 PHE 10 HE1 PHE 10 -3.685 -14.487 -7.443 64 HE2 PHE 10 HE2 PHE 10 -4.533 -10.819 -5.442 65 HZ PHE 10 HZ PHE 10 -5.312 -12.810 -6.663 66 H PHE 11 HN PHE 11 2.105 -11.881 -9.070 67 HA PHE 11 HA PHE 11 0.175 -10.323 -10.465 68 HB2 PHE 11 HB2 PHE 11 1.039 -8.697 -8.715 69 HB3 PHE 11 HB1 PHE 11 2.595 -8.783 -9.508 70 HD1 PHE 11 HD2 PHE 11 -0.893 -8.508 -10.812 71 HD2 PHE 11 HD1 PHE 11 3.011 -6.824 -10.616 72 HE1 PHE 11 HE2 PHE 11 -1.583 -6.736 -12.372 73 HE2 PHE 11 HE1 PHE 11 2.327 -5.048 -12.175 74 HZ PHE 11 HZ PHE 11 0.028 -5.003 -13.056 75 HN1 NH2 12 H2 PHE 11 4.020 -10.602 -11.869 76 HN2 NH2 12 H1 PHE 11 3.683 -9.959 -10.298 Start of MODEL 15 1 H1 HIS 1 HT1 HIS 1 9.514 -8.383 3.685 2 H2 HIS 1 HT2 HIS 1 9.702 -6.982 4.613 3 H3 HIS 1 HT3 HIS 1 9.070 -6.880 3.047 4 HA HIS 1 HA HIS 1 7.798 -8.115 5.419 5 HB2 HIS 1 HB2 HIS 1 7.074 -5.741 3.684 6 HB3 HIS 1 HB1 HIS 1 6.061 -6.382 4.973 7 HD1 HIS 1 HD1 HIS 1 7.702 -6.586 7.353 8 HD2 HIS 1 HD2 HIS 1 8.376 -3.563 4.581 9 HE1 HIS 1 HE1 HIS 1 8.932 -4.786 8.606 10 HE2 HIS 1 HE2 HIS 1 9.325 -2.964 6.912 11 H ALA 2 HN ALA 2 6.050 -9.414 5.116 12 HA ALA 2 HA ALA 2 5.810 -10.891 2.754 13 HB1 ALA 2 HB1 ALA 2 3.835 -11.890 3.760 14 HB2 ALA 2 HB2 ALA 2 3.778 -10.601 4.962 15 HB3 ALA 2 HB3 ALA 2 5.130 -11.734 4.947 16 H GLU 3 HN GLU 3 3.915 -8.143 3.937 17 HA GLU 3 HA GLU 3 1.832 -8.192 2.100 18 HB2 GLU 3 HB2 GLU 3 3.159 -5.772 3.331 19 HB3 GLU 3 HB1 GLU 3 1.581 -5.780 2.557 20 HG2 GLU 3 HG2 GLU 3 2.298 -7.382 5.005 21 HG3 GLU 3 HG1 GLU 3 1.488 -5.821 5.027 22 H GLY 4 HN GLY 4 5.046 -6.716 1.773 23 HA2 GLY 4 HA2 GLY 4 4.471 -5.562 -0.793 24 HA3 GLY 4 HA1 GLY 4 6.044 -5.662 -0.020 25 H THR 5 HN THR 5 6.440 -8.323 0.276 26 HA THR 5 HA THR 5 7.278 -9.108 -2.287 27 HB THR 5 HB THR 5 7.824 -11.291 -1.244 28 HG1 THR 5 HG1 THR 5 6.825 -10.184 1.175 29 HG21 THR 5 HG21 THR 5 9.057 -8.913 -0.885 30 HG22 THR 5 HG22 THR 5 9.687 -10.447 -0.286 31 HG23 THR 5 HG23 THR 5 8.776 -9.388 0.791 32 H PHE 6 HN PHE 6 4.502 -10.157 -0.334 33 HA PHE 6 HA PHE 6 3.607 -12.260 -1.923 34 HB2 PHE 6 HB2 PHE 6 2.735 -11.558 0.354 35 HB3 PHE 6 HB1 PHE 6 1.803 -10.315 -0.470 36 HD1 PHE 6 HD1 PHE 6 2.445 -13.885 -1.337 37 HD2 PHE 6 HD2 PHE 6 -0.418 -10.909 -0.309 38 HE1 PHE 6 HE1 PHE 6 0.634 -15.514 -1.682 39 HE2 PHE 6 HE2 PHE 6 -2.234 -12.532 -0.653 40 HZ PHE 6 HZ PHE 6 -1.709 -14.838 -1.338 41 H THR 7 HN THR 7 2.988 -8.791 -2.175 42 HA THR 7 HA THR 7 1.153 -8.906 -4.328 43 HB THR 7 HB THR 7 2.994 -6.644 -3.517 44 HG1 THR 7 HG1 THR 7 1.709 -6.774 -1.809 45 HG21 THR 7 HG21 THR 7 2.198 -5.591 -5.321 46 HG22 THR 7 HG22 THR 7 0.601 -5.641 -4.574 47 HG23 THR 7 HG23 THR 7 1.097 -6.922 -5.680 48 H SER 8 HN SER 8 4.672 -8.606 -4.158 49 HA SER 8 HA SER 8 5.233 -7.963 -6.800 50 HB2 SER 8 HB2 SER 8 6.860 -9.680 -4.911 51 HB3 SER 8 HB1 SER 8 7.466 -8.942 -6.392 52 HG SER 8 HG SER 8 7.671 -7.833 -4.176 53 H ASP 9 HN ASP 9 5.046 -11.230 -5.344 54 HA ASP 9 HA ASP 9 5.504 -12.576 -7.789 55 HB2 ASP 9 HB2 ASP 9 4.755 -14.609 -6.613 56 HB3 ASP 9 HB1 ASP 9 5.939 -13.695 -5.692 57 H PHE 10 HN PHE 10 2.566 -11.420 -6.234 58 HA PHE 10 HA PHE 10 0.627 -12.827 -7.631 59 HB2 PHE 10 HB2 PHE 10 0.755 -10.230 -6.245 60 HB3 PHE 10 HB1 PHE 10 -0.501 -10.342 -7.468 61 HD1 PHE 10 HD2 PHE 10 0.707 -13.101 -5.311 62 HD2 PHE 10 HD1 PHE 10 -2.408 -10.322 -6.124 63 HE1 PHE 10 HE2 PHE 10 -0.747 -14.271 -3.712 64 HE2 PHE 10 HE1 PHE 10 -3.869 -11.485 -4.524 65 HZ PHE 10 HZ PHE 10 -3.039 -13.463 -3.315 66 H PHE 11 HN PHE 11 2.283 -9.834 -8.574 67 HA PHE 11 HA PHE 11 0.945 -9.766 -11.138 68 HB2 PHE 11 HB2 PHE 11 3.107 -8.026 -9.937 69 HB3 PHE 11 HB1 PHE 11 2.433 -7.774 -11.542 70 HD1 PHE 11 HD1 PHE 11 0.953 -8.491 -8.174 71 HD2 PHE 11 HD2 PHE 11 1.044 -5.964 -11.597 72 HE1 PHE 11 HE1 PHE 11 -0.852 -7.132 -7.211 73 HE2 PHE 11 HE2 PHE 11 -0.763 -4.597 -10.637 74 HZ PHE 11 HZ PHE 11 -1.714 -5.181 -8.441 75 HN1 NH2 12 H2 PHE 11 4.875 -10.914 -11.490 76 HN2 NH2 12 H1 PHE 11 4.338 -10.069 -10.082 Start of MODEL 16 1 H1 HIS 1 HT1 HIS 1 10.479 -9.271 2.454 2 H2 HIS 1 HT2 HIS 1 9.168 -9.547 1.419 3 H3 HIS 1 HT3 HIS 1 9.546 -10.672 2.624 4 HA HIS 1 HA HIS 1 8.879 -9.264 4.342 5 HB2 HIS 1 HB2 HIS 1 8.076 -6.932 3.824 6 HB3 HIS 1 HB1 HIS 1 9.801 -7.195 3.656 7 HD1 HIS 1 HD1 HIS 1 10.498 -7.733 0.984 8 HD2 HIS 1 HD2 HIS 1 7.003 -5.620 1.741 9 HE1 HIS 1 HE1 HIS 1 9.950 -6.551 -1.164 10 HE2 HIS 1 HE2 HIS 1 7.907 -5.175 -0.640 11 H ALA 2 HN ALA 2 6.778 -8.862 5.027 12 HA ALA 2 HA ALA 2 4.819 -10.429 3.691 13 HB1 ALA 2 HB1 ALA 2 3.357 -9.859 5.522 14 HB2 ALA 2 HB2 ALA 2 4.438 -8.558 6.019 15 HB3 ALA 2 HB3 ALA 2 4.965 -10.237 6.138 16 H GLU 3 HN GLU 3 3.084 -9.899 2.523 17 HA GLU 3 HA GLU 3 1.552 -8.731 1.331 18 HB2 GLU 3 HB2 GLU 3 1.188 -7.364 3.331 19 HB3 GLU 3 HB1 GLU 3 2.524 -6.321 2.871 20 HG2 GLU 3 HG2 GLU 3 0.364 -5.322 2.348 21 HG3 GLU 3 HG1 GLU 3 1.326 -5.597 0.897 22 H GLY 4 HN GLY 4 4.516 -6.756 1.633 23 HA2 GLY 4 HA2 GLY 4 4.376 -5.611 -0.924 24 HA3 GLY 4 HA1 GLY 4 5.837 -5.774 0.035 25 H THR 5 HN THR 5 6.132 -8.515 0.180 26 HA THR 5 HA THR 5 7.172 -9.088 -2.420 27 HB THR 5 HB THR 5 6.938 -10.904 -0.011 28 HG1 THR 5 HG1 THR 5 9.109 -9.330 -0.993 29 HG21 THR 5 HG21 THR 5 7.212 -12.264 -1.966 30 HG22 THR 5 HG22 THR 5 8.775 -12.173 -1.156 31 HG23 THR 5 HG23 THR 5 8.470 -11.200 -2.595 32 H PHE 6 HN PHE 6 4.420 -10.254 -0.536 33 HA PHE 6 HA PHE 6 3.571 -12.333 -2.174 34 HB2 PHE 6 HB2 PHE 6 2.029 -10.410 -0.435 35 HB3 PHE 6 HB1 PHE 6 1.242 -11.722 -1.300 36 HD1 PHE 6 HD1 PHE 6 4.229 -11.271 0.920 37 HD2 PHE 6 HD2 PHE 6 0.817 -13.609 -0.086 38 HE1 PHE 6 HE1 PHE 6 4.741 -12.805 2.769 39 HE2 PHE 6 HE2 PHE 6 1.324 -15.146 1.766 40 HZ PHE 6 HZ PHE 6 3.287 -14.745 3.196 41 H THR 7 HN THR 7 2.927 -8.861 -2.400 42 HA THR 7 HA THR 7 1.147 -9.001 -4.603 43 HB THR 7 HB THR 7 2.877 -6.696 -3.680 44 HG1 THR 7 HG1 THR 7 0.161 -7.365 -3.098 45 HG21 THR 7 HG21 THR 7 0.481 -6.768 -5.521 46 HG22 THR 7 HG22 THR 7 2.128 -6.298 -5.941 47 HG23 THR 7 HG23 THR 7 1.178 -5.295 -4.845 48 H SER 8 HN SER 8 4.641 -8.429 -4.348 49 HA SER 8 HA SER 8 5.169 -7.830 -7.018 50 HB2 SER 8 HB2 SER 8 6.946 -9.234 -5.010 51 HB3 SER 8 HB1 SER 8 7.496 -8.523 -6.527 52 HG SER 8 HG SER 8 7.226 -6.553 -5.726 53 H ASP 9 HN ASP 9 5.107 -11.002 -5.403 54 HA ASP 9 HA ASP 9 5.929 -12.472 -7.686 55 HB2 ASP 9 HB2 ASP 9 4.548 -13.303 -5.136 56 HB3 ASP 9 HB1 ASP 9 5.014 -14.451 -6.387 57 H PHE 10 HN PHE 10 2.697 -11.946 -6.253 58 HA PHE 10 HA PHE 10 1.360 -13.442 -8.282 59 HB2 PHE 10 HB2 PHE 10 0.399 -11.592 -6.114 60 HB3 PHE 10 HB1 PHE 10 -0.710 -12.285 -7.291 61 HD1 PHE 10 HD1 PHE 10 2.195 -13.724 -5.420 62 HD2 PHE 10 HD2 PHE 10 -1.973 -13.900 -6.269 63 HE1 PHE 10 HE1 PHE 10 2.007 -15.761 -4.058 64 HE2 PHE 10 HE2 PHE 10 -2.166 -15.938 -4.906 65 HZ PHE 10 HZ PHE 10 -0.175 -16.870 -3.798 66 H PHE 11 HN PHE 11 1.435 -9.940 -7.601 67 HA PHE 11 HA PHE 11 0.135 -9.314 -10.084 68 HB2 PHE 11 HB2 PHE 11 1.467 -7.534 -8.033 69 HB3 PHE 11 HB1 PHE 11 0.611 -6.938 -9.447 70 HD1 PHE 11 HD1 PHE 11 -0.018 -9.341 -6.640 71 HD2 PHE 11 HD2 PHE 11 -1.520 -6.201 -9.091 72 HE1 PHE 11 HE1 PHE 11 -2.129 -9.376 -5.383 73 HE2 PHE 11 HE2 PHE 11 -3.634 -6.230 -7.834 74 HZ PHE 11 HZ PHE 11 -3.941 -7.817 -5.977 75 HN1 NH2 12 H2 PHE 11 4.170 -8.604 -10.365 76 HN2 NH2 12 H1 PHE 11 3.422 -8.781 -8.818 Start of MODEL 17 1 H1 HIS 1 HT1 HIS 1 9.843 -7.526 0.477 2 H2 HIS 1 HT2 HIS 1 8.476 -6.536 0.590 3 H3 HIS 1 HT3 HIS 1 8.301 -8.185 0.258 4 HA HIS 1 HA HIS 1 9.210 -8.737 2.438 5 HB2 HIS 1 HB2 HIS 1 9.156 -5.727 2.774 6 HB3 HIS 1 HB1 HIS 1 9.452 -6.874 4.076 7 HD1 HIS 1 HD1 HIS 1 11.580 -8.631 3.282 8 HD2 HIS 1 HD2 HIS 1 11.483 -4.724 1.871 9 HE1 HIS 1 HE1 HIS 1 13.937 -8.112 2.577 10 HE2 HIS 1 HE2 HIS 1 13.835 -5.774 1.645 11 H ALA 2 HN ALA 2 7.695 -9.386 3.889 12 HA ALA 2 HA ALA 2 5.601 -9.853 4.652 13 HB1 ALA 2 HB1 ALA 2 5.379 -6.846 4.724 14 HB2 ALA 2 HB2 ALA 2 6.216 -7.827 5.926 15 HB3 ALA 2 HB3 ALA 2 4.475 -7.998 5.707 16 H GLU 3 HN GLU 3 3.540 -7.418 3.974 17 HA GLU 3 HA GLU 3 2.011 -8.834 2.121 18 HB2 GLU 3 HB2 GLU 3 1.258 -6.949 3.648 19 HB3 GLU 3 HB1 GLU 3 1.959 -5.834 2.486 20 HG2 GLU 3 HG2 GLU 3 -0.233 -7.806 1.872 21 HG3 GLU 3 HG1 GLU 3 -0.482 -6.105 2.256 22 H GLY 4 HN GLY 4 4.378 -6.237 1.657 23 HA2 GLY 4 HA2 GLY 4 4.056 -5.685 -1.031 24 HA3 GLY 4 HA1 GLY 4 5.596 -5.617 -0.188 25 H THR 5 HN THR 5 5.871 -8.360 0.449 26 HA THR 5 HA THR 5 7.106 -9.365 -1.843 27 HB THR 5 HB THR 5 6.032 -10.959 0.500 28 HG1 THR 5 HG1 THR 5 7.853 -10.426 1.509 29 HG21 THR 5 HG21 THR 5 7.964 -11.643 -1.706 30 HG22 THR 5 HG22 THR 5 6.515 -12.516 -1.208 31 HG23 THR 5 HG23 THR 5 7.941 -12.511 -0.171 32 H PHE 6 HN PHE 6 3.902 -10.129 -0.489 33 HA PHE 6 HA PHE 6 3.157 -12.034 -2.422 34 HB2 PHE 6 HB2 PHE 6 1.977 -11.798 -0.284 35 HB3 PHE 6 HB1 PHE 6 1.399 -10.207 -0.767 36 HD1 PHE 6 HD2 PHE 6 1.529 -13.486 -2.549 37 HD2 PHE 6 HD1 PHE 6 -0.874 -10.296 -1.075 38 HE1 PHE 6 HE2 PHE 6 -0.459 -14.519 -3.564 39 HE2 PHE 6 HE1 PHE 6 -2.867 -11.326 -2.087 40 HZ PHE 6 HZ PHE 6 -2.660 -13.439 -3.334 41 H THR 7 HN THR 7 2.796 -8.514 -2.309 42 HA THR 7 HA THR 7 1.082 -8.086 -4.431 43 HB THR 7 HB THR 7 3.498 -6.407 -3.726 44 HG1 THR 7 HG1 THR 7 0.808 -6.335 -2.772 45 HG21 THR 7 HG21 THR 7 2.723 -5.620 -5.803 46 HG22 THR 7 HG22 THR 7 1.959 -4.563 -4.616 47 HG23 THR 7 HG23 THR 7 1.032 -5.865 -5.362 48 H SER 8 HN SER 8 4.631 -8.302 -4.544 49 HA SER 8 HA SER 8 4.776 -8.174 -7.389 50 HB2 SER 8 HB2 SER 8 6.660 -7.488 -5.966 51 HB3 SER 8 HB1 SER 8 6.831 -9.144 -5.386 52 HG SER 8 HG SER 8 8.219 -9.155 -7.008 53 H ASP 9 HN ASP 9 4.549 -10.778 -5.045 54 HA ASP 9 HA ASP 9 5.370 -12.957 -6.520 55 HB2 ASP 9 HB2 ASP 9 4.805 -13.111 -4.157 56 HB3 ASP 9 HB1 ASP 9 3.110 -12.803 -4.515 57 H PHE 10 HN PHE 10 1.994 -11.733 -6.315 58 HA PHE 10 HA PHE 10 1.138 -13.539 -8.361 59 HB2 PHE 10 HB2 PHE 10 -1.034 -12.341 -8.245 60 HB3 PHE 10 HB1 PHE 10 -0.471 -12.946 -6.697 61 HD1 PHE 10 HD2 PHE 10 -0.357 -9.820 -8.745 62 HD2 PHE 10 HD1 PHE 10 -0.641 -11.576 -4.880 63 HE1 PHE 10 HE2 PHE 10 -0.699 -7.594 -7.759 64 HE2 PHE 10 HE1 PHE 10 -0.992 -9.353 -3.891 65 HZ PHE 10 HZ PHE 10 -1.018 -7.357 -5.331 66 H PHE 11 HN PHE 11 2.208 -10.193 -8.345 67 HA PHE 11 HA PHE 11 1.260 -9.464 -10.896 68 HB2 PHE 11 HB2 PHE 11 3.456 -8.459 -9.124 69 HB3 PHE 11 HB1 PHE 11 3.363 -7.883 -10.783 70 HD1 PHE 11 HD2 PHE 11 0.248 -7.989 -10.858 71 HD2 PHE 11 HD1 PHE 11 3.069 -6.314 -8.144 72 HE1 PHE 11 HE2 PHE 11 -1.405 -6.296 -10.189 73 HE2 PHE 11 HE1 PHE 11 1.420 -4.616 -7.476 74 HZ PHE 11 HZ PHE 11 -0.820 -4.606 -8.497 75 HN1 NH2 12 H2 PHE 11 4.926 -11.215 -11.501 76 HN2 NH2 12 H1 PHE 11 4.492 -10.622 -9.938 Start of MODEL 18 1 H1 HIS 1 HT1 HIS 1 7.959 -7.943 0.471 2 H2 HIS 1 HT2 HIS 1 9.507 -8.608 0.359 3 H3 HIS 1 HT3 HIS 1 9.318 -6.962 0.692 4 HA HIS 1 HA HIS 1 9.332 -9.188 2.474 5 HB2 HIS 1 HB2 HIS 1 9.362 -6.183 2.840 6 HB3 HIS 1 HB1 HIS 1 9.672 -7.345 4.124 7 HD1 HIS 1 HD1 HIS 1 11.926 -5.599 3.878 8 HD2 HIS 1 HD2 HIS 1 11.494 -8.784 1.243 9 HE1 HIS 1 HE1 HIS 1 14.225 -6.026 2.954 10 HE2 HIS 1 HE2 HIS 1 13.927 -7.913 1.312 11 H ALA 2 HN ALA 2 7.936 -9.746 4.088 12 HA ALA 2 HA ALA 2 5.921 -10.155 5.050 13 HB1 ALA 2 HB1 ALA 2 5.517 -7.181 4.779 14 HB2 ALA 2 HB2 ALA 2 6.534 -7.936 6.005 15 HB3 ALA 2 HB3 ALA 2 4.800 -8.257 5.979 16 H GLU 3 HN GLU 3 3.667 -8.000 4.291 17 HA GLU 3 HA GLU 3 2.301 -9.706 2.487 18 HB2 GLU 3 HB2 GLU 3 1.129 -8.276 4.108 19 HB3 GLU 3 HB1 GLU 3 1.702 -6.844 3.264 20 HG2 GLU 3 HG2 GLU 3 0.433 -7.490 1.286 21 HG3 GLU 3 HG1 GLU 3 -0.125 -8.943 2.112 22 H GLY 4 HN GLY 4 4.209 -6.777 2.085 23 HA2 GLY 4 HA2 GLY 4 3.511 -5.995 -0.471 24 HA3 GLY 4 HA1 GLY 4 5.108 -5.788 0.227 25 H THR 5 HN THR 5 5.916 -8.478 0.440 26 HA THR 5 HA THR 5 6.898 -8.940 -2.142 27 HB THR 5 HB THR 5 8.018 -9.834 -0.142 28 HG1 THR 5 HG1 THR 5 8.758 -10.932 -1.832 29 HG21 THR 5 HG21 THR 5 7.034 -11.172 1.349 30 HG22 THR 5 HG22 THR 5 6.498 -12.284 0.090 31 HG23 THR 5 HG23 THR 5 5.517 -10.880 0.502 32 H PHE 6 HN PHE 6 4.078 -10.326 -0.502 33 HA PHE 6 HA PHE 6 3.471 -12.335 -2.355 34 HB2 PHE 6 HB2 PHE 6 2.373 -12.218 -0.180 35 HB3 PHE 6 HB1 PHE 6 1.603 -10.699 -0.623 36 HD1 PHE 6 HD2 PHE 6 1.967 -13.950 -2.425 37 HD2 PHE 6 HD1 PHE 6 -0.663 -11.030 -0.788 38 HE1 PHE 6 HE2 PHE 6 0.040 -15.188 -3.322 39 HE2 PHE 6 HE1 PHE 6 -2.594 -12.265 -1.681 40 HZ PHE 6 HZ PHE 6 -2.244 -14.345 -2.951 41 H THR 7 HN THR 7 2.568 -8.909 -2.276 42 HA THR 7 HA THR 7 0.801 -8.903 -4.452 43 HB THR 7 HB THR 7 2.617 -6.664 -3.532 44 HG1 THR 7 HG1 THR 7 -0.040 -7.388 -2.776 45 HG21 THR 7 HG21 THR 7 0.733 -5.249 -4.495 46 HG22 THR 7 HG22 THR 7 0.184 -6.714 -5.308 47 HG23 THR 7 HG23 THR 7 1.782 -6.056 -5.661 48 H SER 8 HN SER 8 4.299 -8.257 -4.334 49 HA SER 8 HA SER 8 4.605 -7.780 -7.106 50 HB2 SER 8 HB2 SER 8 6.261 -7.024 -5.457 51 HB3 SER 8 HB1 SER 8 6.661 -8.700 -5.080 52 HG SER 8 HG SER 8 7.946 -8.695 -6.730 53 H ASP 9 HN ASP 9 5.045 -10.694 -5.122 54 HA ASP 9 HA ASP 9 6.017 -12.373 -7.161 55 HB2 ASP 9 HB2 ASP 9 4.477 -13.077 -4.651 56 HB3 ASP 9 HB1 ASP 9 5.318 -14.238 -5.669 57 H PHE 10 HN PHE 10 2.711 -11.871 -5.939 58 HA PHE 10 HA PHE 10 1.449 -13.726 -7.645 59 HB2 PHE 10 HB2 PHE 10 0.377 -12.847 -5.620 60 HB3 PHE 10 HB1 PHE 10 0.315 -11.242 -6.338 61 HD1 PHE 10 HD2 PHE 10 -0.580 -14.650 -7.587 62 HD2 PHE 10 HD1 PHE 10 -1.848 -10.661 -6.814 63 HE1 PHE 10 HE2 PHE 10 -2.785 -15.169 -8.545 64 HE2 PHE 10 HE1 PHE 10 -4.056 -11.175 -7.768 65 HZ PHE 10 HZ PHE 10 -4.527 -13.430 -8.636 66 H PHE 11 HN PHE 11 1.963 -10.225 -7.950 67 HA PHE 11 HA PHE 11 0.604 -9.909 -10.409 68 HB2 PHE 11 HB2 PHE 11 1.234 -8.063 -8.824 69 HB3 PHE 11 HB1 PHE 11 2.890 -8.227 -9.359 70 HD1 PHE 11 HD1 PHE 11 -0.345 -8.182 -11.221 71 HD2 PHE 11 HD2 PHE 11 3.463 -6.385 -10.596 72 HE1 PHE 11 HE1 PHE 11 -0.779 -6.625 -13.075 73 HE2 PHE 11 HE2 PHE 11 3.034 -4.825 -12.449 74 HZ PHE 11 HZ PHE 11 0.911 -4.944 -13.691 75 HN1 NH2 12 H2 PHE 11 4.553 -10.214 -11.462 76 HN2 NH2 12 H1 PHE 11 4.067 -9.378 -10.027 Start of MODEL 19 1 H1 HIS 1 HT1 HIS 1 8.518 -8.915 0.235 2 H2 HIS 1 HT2 HIS 1 10.011 -8.136 0.087 3 H3 HIS 1 HT3 HIS 1 8.582 -7.233 0.067 4 HA HIS 1 HA HIS 1 9.511 -8.832 2.382 5 HB2 HIS 1 HB2 HIS 1 10.959 -6.843 1.684 6 HB3 HIS 1 HB1 HIS 1 9.577 -5.839 2.098 7 HD1 HIS 1 HD1 HIS 1 8.768 -6.056 4.684 8 HD2 HIS 1 HD2 HIS 1 12.591 -7.404 3.783 9 HE1 HIS 1 HE1 HIS 1 9.966 -6.196 6.890 10 HE2 HIS 1 HE2 HIS 1 12.252 -7.093 6.329 11 H ALA 2 HN ALA 2 8.288 -8.633 4.217 12 HA ALA 2 HA ALA 2 6.341 -8.613 5.393 13 HB1 ALA 2 HB1 ALA 2 6.028 -5.911 4.088 14 HB2 ALA 2 HB2 ALA 2 7.011 -6.245 5.514 15 HB3 ALA 2 HB3 ALA 2 5.262 -6.453 5.582 16 H GLU 3 HN GLU 3 4.008 -6.863 4.189 17 HA GLU 3 HA GLU 3 2.541 -9.030 3.103 18 HB2 GLU 3 HB2 GLU 3 1.458 -7.186 4.304 19 HB3 GLU 3 HB1 GLU 3 1.952 -6.063 3.045 20 HG2 GLU 3 HG2 GLU 3 0.548 -7.204 1.435 21 HG3 GLU 3 HG1 GLU 3 0.094 -8.397 2.650 22 H GLY 4 HN GLY 4 4.283 -6.320 1.688 23 HA2 GLY 4 HA2 GLY 4 3.384 -6.455 -0.942 24 HA3 GLY 4 HA1 GLY 4 4.961 -5.868 -0.447 25 H THR 5 HN THR 5 5.563 -8.627 0.725 26 HA THR 5 HA THR 5 7.113 -9.644 -1.289 27 HB THR 5 HB THR 5 5.763 -11.293 0.863 28 HG1 THR 5 HG1 THR 5 7.143 -10.379 2.172 29 HG21 THR 5 HG21 THR 5 7.816 -12.726 0.601 30 HG22 THR 5 HG22 THR 5 8.177 -11.822 -0.869 31 HG23 THR 5 HG23 THR 5 6.698 -12.777 -0.763 32 H PHE 6 HN PHE 6 3.914 -11.010 -0.398 33 HA PHE 6 HA PHE 6 3.796 -12.724 -2.648 34 HB2 PHE 6 HB2 PHE 6 2.446 -13.098 -0.614 35 HB3 PHE 6 HB1 PHE 6 1.505 -11.656 -0.983 36 HD1 PHE 6 HD2 PHE 6 2.669 -14.575 -3.006 37 HD2 PHE 6 HD1 PHE 6 -0.612 -12.211 -1.675 38 HE1 PHE 6 HE2 PHE 6 1.142 -15.928 -4.379 39 HE2 PHE 6 HE1 PHE 6 -2.145 -13.563 -3.045 40 HZ PHE 6 HZ PHE 6 -1.267 -15.423 -4.400 41 H THR 7 HN THR 7 2.683 -9.437 -2.061 42 HA THR 7 HA THR 7 1.028 -9.018 -4.241 43 HB THR 7 HB THR 7 2.980 -7.067 -2.998 44 HG1 THR 7 HG1 THR 7 1.609 -7.483 -1.395 45 HG21 THR 7 HG21 THR 7 2.305 -6.094 -5.042 46 HG22 THR 7 HG22 THR 7 1.245 -5.384 -3.824 47 HG23 THR 7 HG23 THR 7 0.649 -6.675 -4.866 48 H SER 8 HN SER 8 4.553 -8.556 -4.046 49 HA SER 8 HA SER 8 4.915 -7.785 -6.741 50 HB2 SER 8 HB2 SER 8 6.592 -7.316 -5.016 51 HB3 SER 8 HB1 SER 8 6.877 -9.042 -4.804 52 HG SER 8 HG SER 8 8.235 -8.914 -6.384 53 H ASP 9 HN ASP 9 5.130 -10.916 -5.098 54 HA ASP 9 HA ASP 9 6.056 -12.443 -7.259 55 HB2 ASP 9 HB2 ASP 9 6.069 -13.248 -4.939 56 HB3 ASP 9 HB1 ASP 9 4.310 -13.295 -4.938 57 H PHE 10 HN PHE 10 2.742 -11.717 -6.195 58 HA PHE 10 HA PHE 10 1.427 -13.331 -8.096 59 HB2 PHE 10 HB2 PHE 10 0.381 -12.397 -6.022 60 HB3 PHE 10 HB1 PHE 10 0.362 -10.816 -6.793 61 HD1 PHE 10 HD1 PHE 10 -0.543 -14.261 -7.922 62 HD2 PHE 10 HD2 PHE 10 -1.774 -10.220 -7.389 63 HE1 PHE 10 HE1 PHE 10 -2.722 -14.796 -8.928 64 HE2 PHE 10 HE2 PHE 10 -3.957 -10.751 -8.393 65 HZ PHE 10 HZ PHE 10 -4.433 -13.041 -9.163 66 H PHE 11 HN PHE 11 2.405 -9.923 -8.162 67 HA PHE 11 HA PHE 11 1.167 -9.275 -10.616 68 HB2 PHE 11 HB2 PHE 11 3.439 -8.030 -9.080 69 HB3 PHE 11 HB1 PHE 11 2.927 -7.394 -10.639 70 HD1 PHE 11 HD2 PHE 11 0.632 -8.802 -8.104 71 HD2 PHE 11 HD1 PHE 11 2.195 -5.269 -9.893 72 HE1 PHE 11 HE2 PHE 11 -1.109 -7.475 -6.991 73 HE2 PHE 11 HE1 PHE 11 0.452 -3.936 -8.781 74 HZ PHE 11 HZ PHE 11 -1.202 -5.038 -7.328 75 HN1 NH2 12 H2 PHE 11 4.972 -10.531 -11.532 76 HN2 NH2 12 H1 PHE 11 4.591 -10.012 -9.928 Start of MODEL 20 1 H1 HIS 1 HT1 HIS 1 9.570 -8.897 1.539 2 H2 HIS 1 HT2 HIS 1 9.184 -10.190 2.558 3 H3 HIS 1 HT3 HIS 1 10.437 -9.134 2.972 4 HA HIS 1 HA HIS 1 8.766 -8.368 4.313 5 HB2 HIS 1 HB2 HIS 1 8.485 -6.869 1.698 6 HB3 HIS 1 HB1 HIS 1 7.948 -6.271 3.264 7 HD1 HIS 1 HD1 HIS 1 10.148 -6.407 5.101 8 HD2 HIS 1 HD2 HIS 1 10.865 -5.793 1.054 9 HE1 HIS 1 HE1 HIS 1 12.439 -5.379 4.972 10 HE2 HIS 1 HE2 HIS 1 12.886 -5.097 2.509 11 H ALA 2 HN ALA 2 6.757 -8.643 5.037 12 HA ALA 2 HA ALA 2 4.926 -10.271 3.615 13 HB1 ALA 2 HB1 ALA 2 3.436 -9.929 5.510 14 HB2 ALA 2 HB2 ALA 2 4.484 -8.642 6.108 15 HB3 ALA 2 HB3 ALA 2 5.074 -10.303 6.043 16 H GLU 3 HN GLU 3 3.098 -9.807 2.523 17 HA GLU 3 HA GLU 3 1.555 -8.652 1.322 18 HB2 GLU 3 HB2 GLU 3 0.995 -7.652 3.536 19 HB3 GLU 3 HB1 GLU 3 2.134 -6.356 3.208 20 HG2 GLU 3 HG2 GLU 3 -0.187 -5.699 2.794 21 HG3 GLU 3 HG1 GLU 3 0.806 -5.599 1.343 22 H GLY 4 HN GLY 4 4.670 -8.275 1.079 23 HA2 GLY 4 HA2 GLY 4 4.522 -6.110 -0.921 24 HA3 GLY 4 HA1 GLY 4 5.942 -6.391 0.079 25 H THR 5 HN THR 5 6.215 -9.104 0.003 26 HA THR 5 HA THR 5 7.332 -9.493 -2.603 27 HB THR 5 HB THR 5 7.921 -11.773 -1.777 28 HG1 THR 5 HG1 THR 5 6.786 -12.505 -0.156 29 HG21 THR 5 HG21 THR 5 9.290 -10.870 0.249 30 HG22 THR 5 HG22 THR 5 8.648 -9.305 -0.252 31 HG23 THR 5 HG23 THR 5 9.622 -10.259 -1.371 32 H PHE 6 HN PHE 6 4.558 -10.817 -0.859 33 HA PHE 6 HA PHE 6 3.765 -12.695 -2.800 34 HB2 PHE 6 HB2 PHE 6 2.254 -11.232 -0.641 35 HB3 PHE 6 HB1 PHE 6 1.466 -12.388 -1.707 36 HD1 PHE 6 HD1 PHE 6 4.614 -12.262 0.319 37 HD2 PHE 6 HD2 PHE 6 1.145 -14.458 -0.803 38 HE1 PHE 6 HE1 PHE 6 5.308 -14.102 1.793 39 HE2 PHE 6 HE2 PHE 6 1.832 -16.301 0.672 40 HZ PHE 6 HZ PHE 6 3.916 -16.125 1.973 41 H THR 7 HN THR 7 2.972 -9.281 -2.328 42 HA THR 7 HA THR 7 1.001 -9.017 -4.298 43 HB THR 7 HB THR 7 3.007 -6.951 -3.366 44 HG1 THR 7 HG1 THR 7 1.715 -6.691 -1.689 45 HG21 THR 7 HG21 THR 7 0.430 -6.706 -4.914 46 HG22 THR 7 HG22 THR 7 2.033 -6.134 -5.375 47 HG23 THR 7 HG23 THR 7 1.164 -5.352 -4.054 48 H SER 8 HN SER 8 4.517 -8.507 -4.498 49 HA SER 8 HA SER 8 4.586 -7.782 -7.220 50 HB2 SER 8 HB2 SER 8 6.448 -7.326 -5.684 51 HB3 SER 8 HB1 SER 8 6.755 -9.056 -5.532 52 HG SER 8 HG SER 8 8.086 -8.608 -7.126 53 H ASP 9 HN ASP 9 4.894 -10.923 -5.608 54 HA ASP 9 HA ASP 9 5.571 -12.420 -7.906 55 HB2 ASP 9 HB2 ASP 9 5.935 -13.215 -5.598 56 HB3 ASP 9 HB1 ASP 9 4.196 -13.337 -5.369 57 H PHE 10 HN PHE 10 2.434 -11.898 -6.289 58 HA PHE 10 HA PHE 10 0.940 -13.452 -8.128 59 HB2 PHE 10 HB2 PHE 10 0.155 -11.377 -6.092 60 HB3 PHE 10 HB1 PHE 10 -1.033 -12.165 -7.122 61 HD1 PHE 10 HD2 PHE 10 1.973 -13.622 -5.453 62 HD2 PHE 10 HD1 PHE 10 -2.276 -13.482 -5.688 63 HE1 PHE 10 HE2 PHE 10 1.827 -15.491 -3.865 64 HE2 PHE 10 HE1 PHE 10 -2.426 -15.352 -4.098 65 HZ PHE 10 HZ PHE 10 -0.373 -16.359 -3.185 66 H PHE 11 HN PHE 11 1.417 -9.937 -7.841 67 HA PHE 11 HA PHE 11 -0.206 -9.297 -10.087 68 HB2 PHE 11 HB2 PHE 11 1.875 -7.731 -8.567 69 HB3 PHE 11 HB1 PHE 11 1.028 -7.061 -9.954 70 HD1 PHE 11 HD2 PHE 11 -0.217 -9.162 -7.121 71 HD2 PHE 11 HD1 PHE 11 -0.378 -5.428 -9.159 72 HE1 PHE 11 HE2 PHE 11 -2.059 -8.449 -5.661 73 HE2 PHE 11 HE1 PHE 11 -2.221 -4.709 -7.699 74 HZ PHE 11 HZ PHE 11 -3.065 -6.220 -5.948 75 HN1 NH2 12 H2 PHE 11 3.690 -9.393 -11.391 76 HN2 NH2 12 H1 PHE 11 3.339 -9.095 -9.726
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