NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
625435 | 6awk | 30337 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PHE 1 H PHE 1 6.281 -7.503 -4.957 2 HA PHE 1 HA PHE 1 4.657 -8.096 -2.545 3 HB2 PHE 1 1HB PHE 1 6.143 -5.991 -2.218 4 HB3 PHE 1 2HB PHE 1 5.197 -5.290 -3.560 5 HD1 PHE 1 HD1 PHE 1 3.024 -4.297 -3.201 6 HD2 PHE 1 HD2 PHE 1 4.874 -6.661 -0.099 7 HE1 PHE 1 HE1 PHE 1 1.230 -3.635 -1.657 8 HE2 PHE 1 HE2 PHE 1 3.223 -5.852 1.488 9 HZ PHE 1 HZ PHE 1 1.326 -4.384 0.747 10 H VAL 2 H VAL 2 2.328 -7.817 -3.051 11 HA VAL 2 HA VAL 2 1.833 -8.038 -5.932 12 HB VAL 2 HB VAL 2 -0.118 -8.065 -3.566 13 HG11 VAL 2 1HG1 VAL 2 -0.514 -8.918 -6.495 14 HG12 VAL 2 2HG1 VAL 2 -1.299 -7.523 -5.633 15 HG13 VAL 2 3HG1 VAL 2 -1.664 -9.177 -5.159 16 HG21 VAL 2 1HG2 VAL 2 1.664 -9.870 -3.615 17 HG22 VAL 2 2HG2 VAL 2 0.941 -10.443 -5.155 18 HG23 VAL 2 3HG2 VAL 2 0.007 -10.423 -3.625 19 H GLY 3 H GLY 3 1.265 -6.388 -7.255 20 HA2 GLY 3 1HA GLY 3 -0.401 -4.453 -7.437 21 HA3 GLY 3 2HA GLY 3 0.342 -3.883 -5.926 22 H GLY 4 H GLY 4 2.350 -5.323 -8.626 23 HA2 GLY 4 1HA GLY 4 2.897 -2.765 -9.770 24 HA3 GLY 4 2HA GLY 4 4.092 -3.211 -8.529 25 H THR 5 H THR 5 5.178 -2.810 -10.874 26 HA THR 5 HA THR 5 4.971 -5.084 -12.679 27 HB THR 5 HB THR 5 7.019 -2.800 -12.602 28 HG1 THR 5 HG1 THR 5 5.306 -1.645 -13.232 29 HG21 THR 5 1HG2 THR 5 6.078 -4.543 -14.924 30 HG22 THR 5 2HG2 THR 5 7.639 -4.743 -14.062 31 HG23 THR 5 3HG2 THR 5 7.279 -3.236 -14.990 32 H SER 6 H SER 6 5.742 -6.986 -12.092 33 HA SER 6 HA SER 6 7.119 -8.580 -11.212 34 HB2 SER 6 1HB SER 6 9.509 -8.417 -11.961 35 HB3 SER 6 2HB SER 6 8.317 -8.135 -13.258 36 HG SER 6 HG SER 6 9.653 -6.106 -11.837 37 H PHE 7 H PHE 7 6.517 -6.842 -9.040 38 HA PHE 7 HA PHE 7 9.151 -6.693 -7.586 39 HB2 PHE 7 1HB PHE 7 6.487 -5.591 -6.678 40 HB3 PHE 7 2HB PHE 7 8.051 -5.418 -5.852 41 HD1 PHE 7 HD1 PHE 7 9.910 -4.721 -8.046 42 HD2 PHE 7 HD2 PHE 7 5.800 -3.490 -7.328 43 HE1 PHE 7 HE1 PHE 7 10.282 -2.610 -9.327 44 HE2 PHE 7 HE2 PHE 7 6.151 -1.407 -8.695 45 HZ PHE 7 HZ PHE 7 8.436 -0.951 -9.665 46 H ASP 8 H ASP 8 9.010 -7.369 -5.233 47 HA ASP 8 HA ASP 8 7.831 -10.043 -5.065 48 HB2 ASP 8 1HB ASP 8 9.765 -8.499 -3.280 49 HB3 ASP 8 2HB ASP 8 9.195 -10.093 -2.881 Start of MODEL 2 1 H1 PHE 1 H PHE 1 6.279 -7.440 -4.773 2 HA PHE 1 HA PHE 1 4.430 -8.735 -2.884 3 HB2 PHE 1 1HB PHE 1 5.707 -7.004 -1.662 4 HB3 PHE 1 2HB PHE 1 5.113 -5.780 -2.802 5 HD1 PHE 1 HD1 PHE 1 3.608 -8.599 -0.777 6 HD2 PHE 1 HD2 PHE 1 3.274 -4.460 -2.034 7 HE1 PHE 1 HE1 PHE 1 1.490 -8.343 0.494 8 HE2 PHE 1 HE2 PHE 1 1.239 -4.206 -0.726 9 HZ PHE 1 HZ PHE 1 0.282 -6.137 0.546 10 H VAL 2 H VAL 2 2.166 -7.900 -3.201 11 HA VAL 2 HA VAL 2 1.569 -7.650 -6.037 12 HB VAL 2 HB VAL 2 -0.241 -7.703 -3.558 13 HG11 VAL 2 1HG1 VAL 2 -2.070 -8.229 -5.200 14 HG12 VAL 2 2HG1 VAL 2 -0.931 -7.841 -6.515 15 HG13 VAL 2 3HG1 VAL 2 -1.402 -6.595 -5.319 16 HG21 VAL 2 1HG2 VAL 2 0.748 -9.871 -5.435 17 HG22 VAL 2 2HG2 VAL 2 -0.778 -10.071 -4.538 18 HG23 VAL 2 3HG2 VAL 2 0.738 -9.831 -3.661 19 H GLY 3 H GLY 3 1.075 -5.911 -7.129 20 HA2 GLY 3 1HA GLY 3 -0.291 -3.706 -6.877 21 HA3 GLY 3 2HA GLY 3 0.852 -3.331 -5.575 22 H GLY 4 H GLY 4 1.994 -4.958 -8.507 23 HA2 GLY 4 1HA GLY 4 2.615 -2.726 -10.063 24 HA3 GLY 4 2HA GLY 4 4.009 -3.089 -9.030 25 H THR 5 H THR 5 4.923 -3.528 -11.217 26 HA THR 5 HA THR 5 4.457 -6.358 -11.954 27 HB THR 5 HB THR 5 5.662 -5.672 -14.182 28 HG1 THR 5 HG1 THR 5 5.561 -3.544 -14.682 29 HG21 THR 5 1HG2 THR 5 3.282 -6.321 -13.933 30 HG22 THR 5 2HG2 THR 5 3.628 -5.211 -15.252 31 HG23 THR 5 3HG2 THR 5 2.897 -4.592 -13.743 32 H SER 6 H SER 6 6.239 -7.625 -11.983 33 HA SER 6 HA SER 6 8.289 -8.365 -11.308 34 HB2 SER 6 1HB SER 6 9.376 -5.682 -12.255 35 HB3 SER 6 2HB SER 6 10.212 -7.266 -12.180 36 HG SER 6 HG SER 6 9.483 -6.917 -14.261 37 H PHE 7 H PHE 7 6.875 -7.465 -9.106 38 HA PHE 7 HA PHE 7 9.084 -6.400 -7.381 39 HB2 PHE 7 1HB PHE 7 6.053 -5.955 -7.211 40 HB3 PHE 7 2HB PHE 7 7.168 -5.706 -5.842 41 HD1 PHE 7 HD1 PHE 7 5.870 -4.354 -8.920 42 HD2 PHE 7 HD2 PHE 7 8.975 -3.977 -5.980 43 HE1 PHE 7 HE1 PHE 7 6.291 -1.976 -9.650 44 HE2 PHE 7 HE2 PHE 7 9.469 -1.731 -6.702 45 HZ PHE 7 HZ PHE 7 8.118 -0.641 -8.577 46 H ASP 8 H ASP 8 8.770 -7.256 -5.076 47 HA ASP 8 HA ASP 8 8.022 -10.153 -5.099 48 HB2 ASP 8 1HB ASP 8 9.437 -8.308 -3.122 49 HB3 ASP 8 2HB ASP 8 8.944 -9.972 -2.714 Start of MODEL 3 1 H1 PHE 1 H PHE 1 5.897 -8.185 -5.270 2 HA PHE 1 HA PHE 1 4.912 -8.144 -2.526 3 HB2 PHE 1 1HB PHE 1 6.752 -6.342 -2.720 4 HB3 PHE 1 2HB PHE 1 5.685 -5.509 -3.854 5 HD1 PHE 1 HD1 PHE 1 4.072 -3.946 -2.998 6 HD2 PHE 1 HD2 PHE 1 5.734 -6.942 -0.418 7 HE1 PHE 1 HE1 PHE 1 2.971 -2.897 -1.049 8 HE2 PHE 1 HE2 PHE 1 4.523 -5.919 1.532 9 HZ PHE 1 HZ PHE 1 3.143 -3.861 1.189 10 H VAL 2 H VAL 2 2.824 -6.802 -2.600 11 HA VAL 2 HA VAL 2 1.365 -7.466 -5.003 12 HB VAL 2 HB VAL 2 -0.594 -6.175 -3.877 13 HG11 VAL 2 1HG1 VAL 2 -0.968 -7.882 -2.228 14 HG12 VAL 2 2HG1 VAL 2 0.782 -8.102 -1.900 15 HG13 VAL 2 3HG1 VAL 2 0.056 -8.676 -3.425 16 HG21 VAL 2 1HG2 VAL 2 -0.352 -5.239 -1.677 17 HG22 VAL 2 2HG2 VAL 2 0.981 -4.562 -2.620 18 HG23 VAL 2 3HG2 VAL 2 1.280 -5.883 -1.461 19 H GLY 3 H GLY 3 0.441 -6.228 -6.609 20 HA2 GLY 3 1HA GLY 3 0.112 -3.734 -7.295 21 HA3 GLY 3 2HA GLY 3 1.856 -3.649 -7.013 22 H GLY 4 H GLY 4 1.476 -2.850 -9.314 23 HA2 GLY 4 1HA GLY 4 1.227 -5.082 -11.223 24 HA3 GLY 4 2HA GLY 4 1.208 -3.330 -11.611 25 H THR 5 H THR 5 3.706 -4.394 -9.505 26 HA THR 5 HA THR 5 5.638 -3.888 -11.720 27 HB THR 5 HB THR 5 7.261 -3.440 -9.822 28 HG1 THR 5 HG1 THR 5 5.992 -3.179 -7.731 29 HG21 THR 5 1HG2 THR 5 5.676 -1.669 -10.838 30 HG22 THR 5 2HG2 THR 5 6.426 -1.306 -9.269 31 HG23 THR 5 3HG2 THR 5 4.734 -1.838 -9.330 32 H SER 6 H SER 6 7.834 -5.093 -11.434 33 HA SER 6 HA SER 6 7.246 -7.913 -11.514 34 HB2 SER 6 1HB SER 6 9.652 -8.049 -12.099 35 HB3 SER 6 2HB SER 6 8.778 -6.796 -13.022 36 HG SER 6 HG SER 6 10.768 -6.507 -11.071 37 H PHE 7 H PHE 7 7.869 -5.787 -8.998 38 HA PHE 7 HA PHE 7 9.732 -7.240 -7.326 39 HB2 PHE 7 1HB PHE 7 7.525 -5.143 -6.783 40 HB3 PHE 7 2HB PHE 7 8.482 -5.877 -5.510 41 HD1 PHE 7 HD1 PHE 7 8.811 -3.780 -8.526 42 HD2 PHE 7 HD2 PHE 7 10.693 -5.289 -4.953 43 HE1 PHE 7 HE1 PHE 7 10.674 -2.121 -8.836 44 HE2 PHE 7 HE2 PHE 7 12.607 -3.614 -5.363 45 HZ PHE 7 HZ PHE 7 12.498 -2.045 -7.230 46 H ASP 8 H ASP 8 9.453 -8.371 -5.478 47 HA ASP 8 HA ASP 8 7.150 -10.201 -5.628 48 HB2 ASP 8 1HB ASP 8 9.627 -10.106 -3.842 49 HB3 ASP 8 2HB ASP 8 8.408 -11.409 -3.816 Start of MODEL 4 1 H1 PHE 1 H PHE 1 6.474 -6.982 -5.003 2 HA PHE 1 HA PHE 1 4.838 -7.125 -2.570 3 HB2 PHE 1 1HB PHE 1 6.345 -5.220 -3.007 4 HB3 PHE 1 2HB PHE 1 5.393 -4.821 -4.462 5 HD1 PHE 1 HD1 PHE 1 3.775 -3.250 -4.315 6 HD2 PHE 1 HD2 PHE 1 4.891 -5.401 -0.781 7 HE1 PHE 1 HE1 PHE 1 2.228 -1.805 -2.982 8 HE2 PHE 1 HE2 PHE 1 3.412 -3.970 0.540 9 HZ PHE 1 HZ PHE 1 2.038 -2.178 -0.573 10 H VAL 2 H VAL 2 2.620 -6.294 -2.651 11 HA VAL 2 HA VAL 2 1.059 -7.688 -4.607 12 HB VAL 2 HB VAL 2 0.184 -5.593 -2.516 13 HG11 VAL 2 1HG1 VAL 2 -1.613 -5.997 -4.156 14 HG12 VAL 2 2HG1 VAL 2 -2.058 -6.813 -2.669 15 HG13 VAL 2 3HG1 VAL 2 -1.386 -7.770 -4.017 16 HG21 VAL 2 1HG2 VAL 2 0.707 -8.590 -2.364 17 HG22 VAL 2 2HG2 VAL 2 -0.397 -7.793 -1.218 18 HG23 VAL 2 3HG2 VAL 2 1.286 -7.313 -1.259 19 H GLY 3 H GLY 3 0.641 -7.063 -6.556 20 HA2 GLY 3 1HA GLY 3 -0.150 -5.655 -8.230 21 HA3 GLY 3 2HA GLY 3 -0.157 -4.312 -7.057 22 H GLY 4 H GLY 4 2.878 -5.716 -6.804 23 HA2 GLY 4 1HA GLY 4 3.999 -3.302 -8.065 24 HA3 GLY 4 2HA GLY 4 4.841 -4.661 -7.285 25 H THR 5 H THR 5 4.932 -3.115 -10.056 26 HA THR 5 HA THR 5 4.675 -5.377 -11.854 27 HB THR 5 HB THR 5 5.859 -3.791 -13.432 28 HG1 THR 5 HG1 THR 5 6.859 -2.555 -11.733 29 HG21 THR 5 1HG2 THR 5 3.886 -2.343 -13.658 30 HG22 THR 5 2HG2 THR 5 3.366 -2.683 -12.007 31 HG23 THR 5 3HG2 THR 5 3.302 -4.004 -13.249 32 H SER 6 H SER 6 6.065 -6.951 -12.077 33 HA SER 6 HA SER 6 7.897 -8.259 -11.874 34 HB2 SER 6 1HB SER 6 9.490 -5.733 -12.331 35 HB3 SER 6 2HB SER 6 10.012 -7.426 -12.589 36 HG SER 6 HG SER 6 9.362 -6.348 -14.499 37 H PHE 7 H PHE 7 6.853 -6.995 -9.429 38 HA PHE 7 HA PHE 7 9.282 -7.226 -7.692 39 HB2 PHE 7 1HB PHE 7 6.853 -5.470 -7.256 40 HB3 PHE 7 2HB PHE 7 8.230 -5.642 -6.150 41 HD1 PHE 7 HD1 PHE 7 6.812 -3.242 -7.954 42 HD2 PHE 7 HD2 PHE 7 10.487 -5.446 -8.053 43 HE1 PHE 7 HE1 PHE 7 7.964 -1.297 -9.037 44 HE2 PHE 7 HE2 PHE 7 11.624 -3.518 -9.158 45 HZ PHE 7 HZ PHE 7 10.339 -1.451 -9.654 46 H ASP 8 H ASP 8 8.752 -7.993 -5.410 47 HA ASP 8 HA ASP 8 6.720 -10.112 -5.655 48 HB2 ASP 8 1HB ASP 8 7.899 -11.183 -3.981 49 HB3 ASP 8 2HB ASP 8 9.193 -10.195 -4.689 Start of MODEL 5 1 H1 PHE 1 H PHE 1 6.908 -8.077 -4.271 2 HA PHE 1 HA PHE 1 4.610 -8.757 -2.596 3 HB2 PHE 1 1HB PHE 1 6.956 -8.110 -1.786 4 HB3 PHE 1 2HB PHE 1 6.604 -6.464 -2.293 5 HD1 PHE 1 HD1 PHE 1 5.265 -4.969 -1.080 6 HD2 PHE 1 HD2 PHE 1 5.689 -9.073 0.142 7 HE1 PHE 1 HE1 PHE 1 4.243 -4.437 1.101 8 HE2 PHE 1 HE2 PHE 1 4.587 -8.577 2.352 9 HZ PHE 1 HZ PHE 1 3.866 -6.266 2.845 10 H VAL 2 H VAL 2 5.328 -6.157 -4.844 11 HA VAL 2 HA VAL 2 2.812 -4.794 -4.098 12 HB VAL 2 HB VAL 2 5.117 -3.669 -5.816 13 HG11 VAL 2 1HG1 VAL 2 2.808 -2.165 -4.391 14 HG12 VAL 2 2HG1 VAL 2 2.846 -2.543 -6.151 15 HG13 VAL 2 3HG1 VAL 2 4.048 -1.439 -5.415 16 HG21 VAL 2 1HG2 VAL 2 4.548 -3.377 -2.817 17 HG22 VAL 2 2HG2 VAL 2 5.635 -2.306 -3.727 18 HG23 VAL 2 3HG2 VAL 2 6.009 -4.031 -3.596 19 H GLY 3 H GLY 3 1.111 -4.968 -5.445 20 HA2 GLY 3 1HA GLY 3 1.307 -6.750 -7.669 21 HA3 GLY 3 2HA GLY 3 -0.102 -5.778 -7.229 22 H GLY 4 H GLY 4 1.103 -6.203 -10.007 23 HA2 GLY 4 1HA GLY 4 1.142 -4.770 -11.819 24 HA3 GLY 4 2HA GLY 4 1.015 -3.382 -10.702 25 H THR 5 H THR 5 3.534 -5.383 -9.736 26 HA THR 5 HA THR 5 5.502 -3.901 -11.392 27 HB THR 5 HB THR 5 6.850 -3.351 -9.498 28 HG1 THR 5 HG1 THR 5 5.059 -4.908 -7.957 29 HG21 THR 5 1HG2 THR 5 3.971 -2.764 -8.748 30 HG22 THR 5 2HG2 THR 5 5.080 -1.736 -9.678 31 HG23 THR 5 3HG2 THR 5 5.389 -2.048 -7.970 32 H SER 6 H SER 6 7.656 -4.913 -11.057 33 HA SER 6 HA SER 6 7.349 -7.842 -11.143 34 HB2 SER 6 1HB SER 6 9.754 -6.107 -11.672 35 HB3 SER 6 2HB SER 6 9.607 -7.811 -12.050 36 HG SER 6 HG SER 6 9.187 -6.285 -13.837 37 H PHE 7 H PHE 7 7.584 -5.974 -8.574 38 HA PHE 7 HA PHE 7 9.889 -7.188 -7.253 39 HB2 PHE 7 1HB PHE 7 8.957 -4.677 -7.194 40 HB3 PHE 7 2HB PHE 7 7.954 -5.364 -5.896 41 HD1 PHE 7 HD1 PHE 7 8.796 -5.790 -3.740 42 HD2 PHE 7 HD2 PHE 7 11.495 -4.767 -6.890 43 HE1 PHE 7 HE1 PHE 7 10.690 -5.599 -2.090 44 HE2 PHE 7 HE2 PHE 7 13.342 -4.569 -5.326 45 HZ PHE 7 HZ PHE 7 12.966 -4.965 -2.925 46 H ASP 8 H ASP 8 6.806 -8.150 -7.818 47 HA ASP 8 HA ASP 8 5.561 -9.814 -7.074 48 HB2 ASP 8 1HB ASP 8 7.712 -11.042 -6.824 49 HB3 ASP 8 2HB ASP 8 7.838 -10.537 -5.142 Start of MODEL 6 1 H1 PHE 1 H PHE 1 6.132 -7.503 -4.518 2 HA PHE 1 HA PHE 1 4.256 -9.421 -3.181 3 HB2 PHE 1 1HB PHE 1 5.412 -8.185 -1.335 4 HB3 PHE 1 2HB PHE 1 4.974 -6.644 -2.083 5 HD1 PHE 1 HD1 PHE 1 3.088 -5.548 -1.272 6 HD2 PHE 1 HD2 PHE 1 3.343 -9.865 -0.894 7 HE1 PHE 1 HE1 PHE 1 0.938 -5.559 -0.031 8 HE2 PHE 1 HE2 PHE 1 1.188 -9.852 0.394 9 HZ PHE 1 HZ PHE 1 -0.045 -7.751 0.819 10 H VAL 2 H VAL 2 1.988 -8.375 -3.408 11 HA VAL 2 HA VAL 2 1.673 -7.579 -6.074 12 HB VAL 2 HB VAL 2 -0.022 -8.807 -4.772 13 HG11 VAL 2 1HG1 VAL 2 -1.532 -7.664 -3.229 14 HG12 VAL 2 2HG1 VAL 2 -0.618 -6.150 -3.380 15 HG13 VAL 2 3HG1 VAL 2 0.133 -7.586 -2.668 16 HG21 VAL 2 1HG2 VAL 2 -0.799 -7.727 -6.861 17 HG22 VAL 2 2HG2 VAL 2 -1.242 -6.276 -5.957 18 HG23 VAL 2 3HG2 VAL 2 -2.065 -7.814 -5.627 19 H GLY 3 H GLY 3 1.021 -5.591 -7.127 20 HA2 GLY 3 1HA GLY 3 0.394 -3.141 -6.148 21 HA3 GLY 3 2HA GLY 3 2.092 -3.265 -5.603 22 H GLY 4 H GLY 4 2.627 -4.969 -8.119 23 HA2 GLY 4 1HA GLY 4 2.082 -3.481 -10.438 24 HA3 GLY 4 2HA GLY 4 3.565 -2.832 -9.756 25 H THR 5 H THR 5 4.005 -3.694 -12.119 26 HA THR 5 HA THR 5 4.440 -6.555 -12.322 27 HB THR 5 HB THR 5 5.783 -5.785 -14.429 28 HG1 THR 5 HG1 THR 5 6.237 -3.689 -13.688 29 HG21 THR 5 1HG2 THR 5 3.765 -5.297 -15.670 30 HG22 THR 5 2HG2 THR 5 2.920 -4.707 -14.248 31 HG23 THR 5 3HG2 THR 5 3.315 -6.425 -14.392 32 H SER 6 H SER 6 6.434 -7.626 -12.198 33 HA SER 6 HA SER 6 8.325 -8.179 -11.069 34 HB2 SER 6 1HB SER 6 10.342 -6.976 -11.714 35 HB3 SER 6 2HB SER 6 9.224 -7.183 -13.082 36 HG SER 6 HG SER 6 9.542 -4.851 -11.489 37 H PHE 7 H PHE 7 6.940 -7.734 -9.071 38 HA PHE 7 HA PHE 7 8.744 -6.184 -7.204 39 HB2 PHE 7 1HB PHE 7 5.751 -6.108 -7.530 40 HB3 PHE 7 2HB PHE 7 6.477 -5.934 -5.932 41 HD1 PHE 7 HD1 PHE 7 7.847 -3.882 -5.432 42 HD2 PHE 7 HD2 PHE 7 5.878 -4.386 -9.231 43 HE1 PHE 7 HE1 PHE 7 8.186 -1.509 -5.871 44 HE2 PHE 7 HE2 PHE 7 6.171 -1.923 -9.709 45 HZ PHE 7 HZ PHE 7 7.366 -0.494 -8.031 46 H ASP 8 H ASP 8 8.578 -7.105 -4.981 47 HA ASP 8 HA ASP 8 8.447 -10.017 -4.989 48 HB2 ASP 8 1HB ASP 8 9.048 -7.946 -2.827 49 HB3 ASP 8 2HB ASP 8 9.109 -9.686 -2.559 Start of MODEL 7 1 H1 PHE 1 H PHE 1 5.824 -7.628 -5.875 2 HA PHE 1 HA PHE 1 4.758 -8.287 -3.220 3 HB2 PHE 1 1HB PHE 1 6.523 -6.513 -3.017 4 HB3 PHE 1 2HB PHE 1 5.659 -5.529 -4.192 5 HD1 PHE 1 HD1 PHE 1 4.278 -3.892 -3.316 6 HD2 PHE 1 HD2 PHE 1 5.129 -7.309 -0.939 7 HE1 PHE 1 HE1 PHE 1 2.956 -2.876 -1.515 8 HE2 PHE 1 HE2 PHE 1 3.838 -6.206 0.953 9 HZ PHE 1 HZ PHE 1 2.662 -4.030 0.628 10 H VAL 2 H VAL 2 2.663 -7.065 -2.895 11 HA VAL 2 HA VAL 2 1.062 -7.573 -5.217 12 HB VAL 2 HB VAL 2 0.258 -7.954 -2.879 13 HG11 VAL 2 1HG1 VAL 2 1.142 -5.862 -1.836 14 HG12 VAL 2 2HG1 VAL 2 -0.566 -6.121 -1.497 15 HG13 VAL 2 3HG1 VAL 2 -0.094 -4.933 -2.727 16 HG21 VAL 2 1HG2 VAL 2 -2.066 -7.312 -3.259 17 HG22 VAL 2 2HG2 VAL 2 -1.341 -7.801 -4.804 18 HG23 VAL 2 3HG2 VAL 2 -1.576 -6.099 -4.447 19 H GLY 3 H GLY 3 -0.091 -6.130 -6.540 20 HA2 GLY 3 1HA GLY 3 -0.538 -4.172 -7.664 21 HA3 GLY 3 2HA GLY 3 -0.120 -3.314 -6.172 22 H GLY 4 H GLY 4 2.243 -5.299 -7.717 23 HA2 GLY 4 1HA GLY 4 3.398 -3.034 -9.198 24 HA3 GLY 4 2HA GLY 4 4.341 -3.646 -7.836 25 H THR 5 H THR 5 4.148 -3.797 -11.077 26 HA THR 5 HA THR 5 4.437 -6.664 -11.592 27 HB THR 5 HB THR 5 5.626 -5.713 -13.675 28 HG1 THR 5 HG1 THR 5 6.136 -3.741 -12.451 29 HG21 THR 5 1HG2 THR 5 3.291 -6.298 -13.759 30 HG22 THR 5 2HG2 THR 5 3.619 -4.784 -14.641 31 HG23 THR 5 3HG2 THR 5 2.882 -4.693 -13.020 32 H SER 6 H SER 6 6.155 -7.877 -11.312 33 HA SER 6 HA SER 6 8.150 -8.735 -10.874 34 HB2 SER 6 1HB SER 6 9.499 -6.259 -11.968 35 HB3 SER 6 2HB SER 6 10.074 -7.962 -11.974 36 HG SER 6 HG SER 6 8.780 -6.818 -13.864 37 H PHE 7 H PHE 7 7.047 -6.488 -8.901 38 HA PHE 7 HA PHE 7 9.583 -5.811 -7.548 39 HB2 PHE 7 1HB PHE 7 6.723 -5.020 -7.185 40 HB3 PHE 7 2HB PHE 7 7.943 -4.734 -5.920 41 HD1 PHE 7 HD1 PHE 7 10.090 -3.478 -6.577 42 HD2 PHE 7 HD2 PHE 7 6.484 -3.487 -9.000 43 HE1 PHE 7 HE1 PHE 7 10.798 -1.318 -7.692 44 HE2 PHE 7 HE2 PHE 7 7.197 -1.397 -10.065 45 HZ PHE 7 HZ PHE 7 9.378 -0.287 -9.371 46 H ASP 8 H ASP 8 7.626 -8.364 -7.754 47 HA ASP 8 HA ASP 8 6.974 -10.165 -6.532 48 HB2 ASP 8 1HB ASP 8 9.520 -10.318 -6.299 49 HB3 ASP 8 2HB ASP 8 9.287 -9.587 -4.690 Start of MODEL 8 1 H1 PHE 1 H PHE 1 6.254 -7.346 -5.973 2 HA PHE 1 HA PHE 1 5.344 -6.488 -3.247 3 HB2 PHE 1 1HB PHE 1 6.698 -4.594 -4.167 4 HB3 PHE 1 2HB PHE 1 5.835 -4.727 -5.685 5 HD1 PHE 1 HD1 PHE 1 5.134 -4.017 -2.047 6 HD2 PHE 1 HD2 PHE 1 3.996 -3.419 -6.159 7 HE1 PHE 1 HE1 PHE 1 3.375 -2.426 -1.303 8 HE2 PHE 1 HE2 PHE 1 2.198 -1.818 -5.414 9 HZ PHE 1 HZ PHE 1 1.891 -1.285 -3.006 10 H VAL 2 H VAL 2 3.164 -6.925 -3.075 11 HA VAL 2 HA VAL 2 1.754 -7.839 -5.436 12 HB VAL 2 HB VAL 2 0.504 -7.042 -2.773 13 HG11 VAL 2 1HG1 VAL 2 -0.372 -9.033 -4.909 14 HG12 VAL 2 2HG1 VAL 2 -1.041 -7.424 -4.644 15 HG13 VAL 2 3HG1 VAL 2 -1.218 -8.651 -3.396 16 HG21 VAL 2 1HG2 VAL 2 2.186 -8.557 -2.090 17 HG22 VAL 2 2HG2 VAL 2 1.976 -9.608 -3.527 18 HG23 VAL 2 3HG2 VAL 2 0.702 -9.567 -2.255 19 H GLY 3 H GLY 3 0.939 -6.585 -6.963 20 HA2 GLY 3 1HA GLY 3 -0.818 -4.834 -7.368 21 HA3 GLY 3 2HA GLY 3 0.016 -3.862 -6.139 22 H GLY 4 H GLY 4 2.683 -5.146 -7.396 23 HA2 GLY 4 1HA GLY 4 2.777 -3.230 -9.722 24 HA3 GLY 4 2HA GLY 4 4.000 -3.226 -8.469 25 H THR 5 H THR 5 4.402 -3.620 -11.327 26 HA THR 5 HA THR 5 4.741 -6.500 -11.784 27 HB THR 5 HB THR 5 5.857 -5.773 -13.885 28 HG1 THR 5 HG1 THR 5 6.893 -3.930 -13.248 29 HG21 THR 5 1HG2 THR 5 3.463 -3.970 -13.584 30 HG22 THR 5 2HG2 THR 5 3.249 -5.735 -13.545 31 HG23 THR 5 3HG2 THR 5 3.989 -4.957 -14.959 32 H SER 6 H SER 6 6.194 -5.160 -9.481 33 HA SER 6 HA SER 6 9.039 -5.357 -10.220 34 HB2 SER 6 1HB SER 6 7.826 -5.194 -7.442 35 HB3 SER 6 2HB SER 6 9.454 -4.685 -7.944 36 HG SER 6 HG SER 6 8.525 -3.025 -9.143 37 H PHE 7 H PHE 7 6.543 -7.514 -9.501 38 HA PHE 7 HA PHE 7 6.373 -9.704 -8.874 39 HB2 PHE 7 1HB PHE 7 9.283 -9.792 -9.703 40 HB3 PHE 7 2HB PHE 7 8.262 -11.205 -9.439 41 HD1 PHE 7 HD1 PHE 7 9.302 -8.633 -11.803 42 HD2 PHE 7 HD2 PHE 7 6.258 -11.511 -10.994 43 HE1 PHE 7 HE1 PHE 7 8.579 -8.467 -14.152 44 HE2 PHE 7 HE2 PHE 7 5.500 -11.414 -13.452 45 HZ PHE 7 HZ PHE 7 6.682 -9.922 -14.986 46 H ASP 8 H ASP 8 7.708 -7.651 -6.850 47 HA ASP 8 HA ASP 8 7.997 -9.800 -4.791 48 HB2 ASP 8 1HB ASP 8 10.176 -8.660 -5.760 49 HB3 ASP 8 2HB ASP 8 9.721 -7.347 -4.648 Start of MODEL 9 1 H1 PHE 1 H PHE 1 4.950 -7.562 -5.932 2 HA PHE 1 HA PHE 1 5.268 -7.011 -3.009 3 HB2 PHE 1 1HB PHE 1 6.760 -5.518 -4.559 4 HB3 PHE 1 2HB PHE 1 5.249 -4.790 -5.031 5 HD1 PHE 1 HD1 PHE 1 7.163 -5.672 -1.907 6 HD2 PHE 1 HD2 PHE 1 4.499 -2.932 -3.805 7 HE1 PHE 1 HE1 PHE 1 7.292 -4.170 0.053 8 HE2 PHE 1 HE2 PHE 1 4.638 -1.447 -1.797 9 HZ PHE 1 HZ PHE 1 6.086 -2.062 0.139 10 H VAL 2 H VAL 2 3.321 -5.218 -2.648 11 HA VAL 2 HA VAL 2 0.882 -6.409 -3.496 12 HB VAL 2 HB VAL 2 1.313 -3.549 -2.434 13 HG11 VAL 2 1HG1 VAL 2 -1.276 -5.177 -2.350 14 HG12 VAL 2 2HG1 VAL 2 -0.929 -3.952 -3.562 15 HG13 VAL 2 3HG1 VAL 2 -1.069 -3.511 -1.887 16 HG21 VAL 2 1HG2 VAL 2 0.764 -6.152 -0.995 17 HG22 VAL 2 2HG2 VAL 2 0.490 -4.548 -0.267 18 HG23 VAL 2 3HG2 VAL 2 2.123 -5.016 -0.752 19 H GLY 3 H GLY 3 -0.306 -6.115 -5.318 20 HA2 GLY 3 1HA GLY 3 -1.094 -5.093 -7.220 21 HA3 GLY 3 2HA GLY 3 -0.062 -3.683 -6.943 22 H GLY 4 H GLY 4 0.121 -4.102 -9.465 23 HA2 GLY 4 1HA GLY 4 1.875 -6.306 -10.182 24 HA3 GLY 4 2HA GLY 4 1.297 -5.009 -11.228 25 H THR 5 H THR 5 4.022 -6.258 -9.634 26 HA THR 5 HA THR 5 5.604 -3.825 -10.385 27 HB THR 5 HB THR 5 6.991 -4.111 -8.375 28 HG1 THR 5 HG1 THR 5 5.109 -5.822 -7.143 29 HG21 THR 5 1HG2 THR 5 5.533 -3.300 -6.667 30 HG22 THR 5 2HG2 THR 5 4.069 -3.954 -7.480 31 HG23 THR 5 3HG2 THR 5 4.972 -2.598 -8.198 32 H SER 6 H SER 6 8.083 -4.616 -10.223 33 HA SER 6 HA SER 6 8.192 -6.998 -11.947 34 HB2 SER 6 1HB SER 6 9.265 -4.751 -12.417 35 HB3 SER 6 2HB SER 6 10.462 -5.187 -11.154 36 HG SER 6 HG SER 6 11.039 -5.755 -13.421 37 H PHE 7 H PHE 7 8.160 -6.741 -8.693 38 HA PHE 7 HA PHE 7 10.158 -8.867 -8.299 39 HB2 PHE 7 1HB PHE 7 11.174 -7.582 -6.407 40 HB3 PHE 7 2HB PHE 7 11.579 -7.004 -7.995 41 HD1 PHE 7 HD1 PHE 7 9.450 -6.197 -5.043 42 HD2 PHE 7 HD2 PHE 7 10.965 -4.876 -8.829 43 HE1 PHE 7 HE1 PHE 7 8.645 -3.855 -4.562 44 HE2 PHE 7 HE2 PHE 7 10.308 -2.563 -8.334 45 HZ PHE 7 HZ PHE 7 9.012 -2.043 -6.260 46 H ASP 8 H ASP 8 7.203 -8.729 -8.006 47 HA ASP 8 HA ASP 8 5.637 -9.623 -6.570 48 HB2 ASP 8 1HB ASP 8 7.366 -11.508 -6.410 49 HB3 ASP 8 2HB ASP 8 7.898 -10.794 -4.891 Start of MODEL 10 1 H1 PHE 1 H PHE 1 5.567 -8.014 -5.070 2 HA PHE 1 HA PHE 1 4.630 -8.211 -2.288 3 HB2 PHE 1 1HB PHE 1 4.623 -5.927 -1.766 4 HB3 PHE 1 2HB PHE 1 6.191 -6.122 -2.485 5 HD1 PHE 1 HD1 PHE 1 5.961 -5.873 -5.320 6 HD2 PHE 1 HD2 PHE 1 3.520 -3.972 -2.285 7 HE1 PHE 1 HE1 PHE 1 5.429 -4.074 -6.875 8 HE2 PHE 1 HE2 PHE 1 2.913 -2.204 -4.029 9 HZ PHE 1 HZ PHE 1 3.854 -2.283 -6.266 10 H VAL 2 H VAL 2 2.529 -6.723 -2.214 11 HA VAL 2 HA VAL 2 0.867 -7.707 -4.431 12 HB VAL 2 HB VAL 2 -0.062 -5.870 -2.161 13 HG11 VAL 2 1HG1 VAL 2 -1.579 -6.035 -4.100 14 HG12 VAL 2 2HG1 VAL 2 -2.269 -6.810 -2.694 15 HG13 VAL 2 3HG1 VAL 2 -1.571 -7.821 -3.994 16 HG21 VAL 2 1HG2 VAL 2 -0.694 -7.860 -0.907 17 HG22 VAL 2 2HG2 VAL 2 1.020 -8.040 -1.352 18 HG23 VAL 2 3HG2 VAL 2 -0.237 -8.923 -2.247 19 H GLY 3 H GLY 3 1.587 -6.728 -6.244 20 HA2 GLY 3 1HA GLY 3 0.278 -4.453 -7.077 21 HA3 GLY 3 2HA GLY 3 1.862 -3.866 -6.480 22 H GLY 4 H GLY 4 2.005 -3.299 -8.831 23 HA2 GLY 4 1HA GLY 4 2.579 -5.597 -10.593 24 HA3 GLY 4 2HA GLY 4 2.320 -3.935 -11.103 25 H THR 5 H THR 5 4.139 -4.215 -12.412 26 HA THR 5 HA THR 5 6.258 -3.736 -13.040 27 HB THR 5 HB THR 5 7.003 -2.594 -10.341 28 HG1 THR 5 HG1 THR 5 5.454 -1.188 -10.513 29 HG21 THR 5 1HG2 THR 5 8.633 -2.499 -12.269 30 HG22 THR 5 2HG2 THR 5 8.093 -0.887 -11.716 31 HG23 THR 5 3HG2 THR 5 7.401 -1.577 -13.208 32 H SER 6 H SER 6 5.610 -6.263 -11.534 33 HA SER 6 HA SER 6 6.742 -8.209 -11.167 34 HB2 SER 6 1HB SER 6 9.024 -6.806 -12.587 35 HB3 SER 6 2HB SER 6 8.792 -8.577 -12.405 36 HG SER 6 HG SER 6 6.563 -7.589 -13.424 37 H PHE 7 H PHE 7 6.788 -6.570 -8.951 38 HA PHE 7 HA PHE 7 9.399 -7.215 -7.721 39 HB2 PHE 7 1HB PHE 7 7.336 -5.023 -7.030 40 HB3 PHE 7 2HB PHE 7 8.686 -5.484 -5.978 41 HD1 PHE 7 HD1 PHE 7 11.119 -5.398 -7.093 42 HD2 PHE 7 HD2 PHE 7 7.707 -3.234 -8.532 43 HE1 PHE 7 HE1 PHE 7 12.607 -3.894 -8.302 44 HE2 PHE 7 HE2 PHE 7 9.178 -1.606 -9.586 45 HZ PHE 7 HZ PHE 7 11.671 -1.938 -9.546 46 H ASP 8 H ASP 8 9.185 -7.848 -5.501 47 HA ASP 8 HA ASP 8 7.212 -10.027 -5.321 48 HB2 ASP 8 1HB ASP 8 9.756 -10.074 -4.826 49 HB3 ASP 8 2HB ASP 8 9.374 -9.286 -3.294 Start of MODEL 11 1 H1 PHE 1 H PHE 1 6.539 -7.166 -4.544 2 HA PHE 1 HA PHE 1 4.570 -7.922 -2.517 3 HB2 PHE 1 1HB PHE 1 4.629 -5.650 -1.770 4 HB3 PHE 1 2HB PHE 1 6.274 -6.200 -2.071 5 HD1 PHE 1 HD1 PHE 1 7.617 -5.055 -3.709 6 HD2 PHE 1 HD2 PHE 1 3.493 -4.119 -3.368 7 HE1 PHE 1 HE1 PHE 1 7.983 -3.054 -5.165 8 HE2 PHE 1 HE2 PHE 1 3.792 -2.111 -4.868 9 HZ PHE 1 HZ PHE 1 6.084 -1.600 -5.699 10 H VAL 2 H VAL 2 2.413 -6.746 -2.406 11 HA VAL 2 HA VAL 2 0.963 -7.448 -4.720 12 HB VAL 2 HB VAL 2 -0.097 -7.507 -2.528 13 HG11 VAL 2 1HG1 VAL 2 -0.722 -5.511 -1.261 14 HG12 VAL 2 2HG1 VAL 2 -0.019 -4.448 -2.515 15 HG13 VAL 2 3HG1 VAL 2 1.038 -5.502 -1.533 16 HG21 VAL 2 1HG2 VAL 2 -2.279 -6.328 -3.061 17 HG22 VAL 2 2HG2 VAL 2 -1.660 -7.222 -4.461 18 HG23 VAL 2 3HG2 VAL 2 -1.463 -5.465 -4.362 19 H GLY 3 H GLY 3 0.470 -6.467 -6.555 20 HA2 GLY 3 1HA GLY 3 -0.094 -4.713 -7.954 21 HA3 GLY 3 2HA GLY 3 0.258 -3.580 -6.664 22 H GLY 4 H GLY 4 2.947 -5.521 -6.811 23 HA2 GLY 4 1HA GLY 4 4.371 -3.503 -8.477 24 HA3 GLY 4 2HA GLY 4 5.080 -4.851 -7.533 25 H THR 5 H THR 5 4.936 -3.900 -10.592 26 HA THR 5 HA THR 5 3.914 -6.350 -11.788 27 HB THR 5 HB THR 5 5.610 -4.109 -13.005 28 HG1 THR 5 HG1 THR 5 3.277 -3.660 -13.818 29 HG21 THR 5 1HG2 THR 5 5.522 -6.210 -14.357 30 HG22 THR 5 2HG2 THR 5 4.722 -4.790 -15.147 31 HG23 THR 5 3HG2 THR 5 3.749 -6.067 -14.405 32 H SER 6 H SER 6 7.056 -4.846 -11.272 33 HA SER 6 HA SER 6 8.448 -7.327 -12.149 34 HB2 SER 6 1HB SER 6 9.547 -4.581 -11.353 35 HB3 SER 6 2HB SER 6 10.496 -5.857 -12.130 36 HG SER 6 HG SER 6 9.913 -4.994 -13.901 37 H PHE 7 H PHE 7 7.110 -6.517 -9.356 38 HA PHE 7 HA PHE 7 9.432 -7.199 -7.565 39 HB2 PHE 7 1HB PHE 7 7.103 -5.330 -7.017 40 HB3 PHE 7 2HB PHE 7 8.382 -5.719 -5.892 41 HD1 PHE 7 HD1 PHE 7 10.802 -5.101 -6.672 42 HD2 PHE 7 HD2 PHE 7 7.297 -3.453 -8.455 43 HE1 PHE 7 HE1 PHE 7 12.152 -3.229 -7.607 44 HE2 PHE 7 HE2 PHE 7 8.659 -1.562 -9.387 45 HZ PHE 7 HZ PHE 7 11.053 -1.490 -8.931 46 H ASP 8 H ASP 8 8.617 -8.151 -5.369 47 HA ASP 8 HA ASP 8 6.575 -10.151 -6.155 48 HB2 ASP 8 1HB ASP 8 7.392 -11.479 -4.357 49 HB3 ASP 8 2HB ASP 8 8.805 -10.736 -5.119 Start of MODEL 12 1 H1 PHE 1 H PHE 1 5.355 -7.878 -5.124 2 HA PHE 1 HA PHE 1 5.079 -8.868 -2.338 3 HB2 PHE 1 1HB PHE 1 7.047 -7.241 -2.365 4 HB3 PHE 1 2HB PHE 1 5.953 -5.973 -2.846 5 HD1 PHE 1 HD1 PHE 1 4.497 -4.916 -1.186 6 HD2 PHE 1 HD2 PHE 1 6.779 -8.418 -0.123 7 HE1 PHE 1 HE1 PHE 1 4.018 -4.459 1.207 8 HE2 PHE 1 HE2 PHE 1 6.353 -7.958 2.297 9 HZ PHE 1 HZ PHE 1 4.985 -5.993 2.974 10 H VAL 2 H VAL 2 4.392 -5.963 -4.415 11 HA VAL 2 HA VAL 2 1.504 -6.451 -4.165 12 HB VAL 2 HB VAL 2 2.240 -5.222 -2.050 13 HG11 VAL 2 1HG1 VAL 2 4.006 -3.819 -3.190 14 HG12 VAL 2 2HG1 VAL 2 2.892 -2.883 -2.166 15 HG13 VAL 2 3HG1 VAL 2 2.712 -2.851 -3.948 16 HG21 VAL 2 1HG2 VAL 2 0.283 -3.771 -3.937 17 HG22 VAL 2 2HG2 VAL 2 0.386 -3.530 -2.191 18 HG23 VAL 2 3HG2 VAL 2 -0.094 -5.112 -2.805 19 H GLY 3 H GLY 3 0.335 -5.522 -5.699 20 HA2 GLY 3 1HA GLY 3 -0.215 -4.161 -7.549 21 HA3 GLY 3 2HA GLY 3 1.375 -3.416 -7.359 22 H GLY 4 H GLY 4 0.930 -3.627 -9.807 23 HA2 GLY 4 1HA GLY 4 1.485 -6.252 -10.964 24 HA3 GLY 4 2HA GLY 4 1.168 -4.743 -11.817 25 H THR 5 H THR 5 3.651 -4.588 -9.372 26 HA THR 5 HA THR 5 5.562 -3.822 -11.460 27 HB THR 5 HB THR 5 7.058 -3.395 -9.537 28 HG1 THR 5 HG1 THR 5 5.332 -3.770 -7.558 29 HG21 THR 5 1HG2 THR 5 5.619 -1.724 -8.327 30 HG22 THR 5 2HG2 THR 5 4.195 -2.375 -9.182 31 HG23 THR 5 3HG2 THR 5 5.534 -1.628 -10.090 32 H SER 6 H SER 6 7.840 -4.925 -11.352 33 HA SER 6 HA SER 6 7.503 -7.753 -11.521 34 HB2 SER 6 1HB SER 6 10.024 -6.065 -11.658 35 HB3 SER 6 2HB SER 6 9.851 -7.765 -12.182 36 HG SER 6 HG SER 6 8.333 -7.073 -13.722 37 H PHE 7 H PHE 7 8.132 -5.554 -8.991 38 HA PHE 7 HA PHE 7 9.729 -7.328 -7.337 39 HB2 PHE 7 1HB PHE 7 8.010 -4.890 -6.667 40 HB3 PHE 7 2HB PHE 7 9.050 -5.763 -5.510 41 HD1 PHE 7 HD1 PHE 7 8.813 -3.131 -7.959 42 HD2 PHE 7 HD2 PHE 7 11.577 -5.896 -6.148 43 HE1 PHE 7 HE1 PHE 7 10.748 -1.655 -8.666 44 HE2 PHE 7 HE2 PHE 7 13.540 -4.419 -6.779 45 HZ PHE 7 HZ PHE 7 13.056 -2.321 -8.115 46 H ASP 8 H ASP 8 8.945 -9.038 -6.244 47 HA ASP 8 HA ASP 8 6.086 -9.578 -6.423 48 HB2 ASP 8 1HB ASP 8 6.696 -11.778 -5.636 49 HB3 ASP 8 2HB ASP 8 7.714 -11.299 -7.013 Start of MODEL 13 1 H1 PHE 1 H PHE 1 4.677 -8.195 -5.033 2 HA PHE 1 HA PHE 1 5.141 -6.426 -2.787 3 HB2 PHE 1 1HB PHE 1 6.176 -5.256 -4.862 4 HB3 PHE 1 2HB PHE 1 4.521 -5.179 -5.449 5 HD1 PHE 1 HD1 PHE 1 6.581 -4.264 -2.429 6 HD2 PHE 1 HD2 PHE 1 3.316 -3.238 -5.031 7 HE1 PHE 1 HE1 PHE 1 6.431 -2.106 -1.279 8 HE2 PHE 1 HE2 PHE 1 3.037 -1.082 -3.765 9 HZ PHE 1 HZ PHE 1 4.595 -0.500 -1.916 10 H VAL 2 H VAL 2 2.906 -4.813 -3.127 11 HA VAL 2 HA VAL 2 0.785 -6.826 -2.891 12 HB VAL 2 HB VAL 2 0.839 -4.406 -1.913 13 HG11 VAL 2 1HG1 VAL 2 -0.420 -3.654 -4.603 14 HG12 VAL 2 2HG1 VAL 2 1.261 -3.310 -4.175 15 HG13 VAL 2 3HG1 VAL 2 -0.027 -2.596 -3.193 16 HG21 VAL 2 1HG2 VAL 2 -1.729 -5.260 -3.314 17 HG22 VAL 2 2HG2 VAL 2 -1.563 -4.334 -1.811 18 HG23 VAL 2 3HG2 VAL 2 -1.097 -6.040 -1.853 19 H GLY 3 H GLY 3 2.158 -5.179 -5.654 20 HA2 GLY 3 1HA GLY 3 1.579 -6.813 -7.640 21 HA3 GLY 3 2HA GLY 3 -0.039 -6.075 -7.422 22 H GLY 4 H GLY 4 1.330 -5.756 -9.896 23 HA2 GLY 4 1HA GLY 4 1.621 -3.993 -11.376 24 HA3 GLY 4 2HA GLY 4 1.543 -2.848 -10.047 25 H THR 5 H THR 5 3.785 -5.320 -9.402 26 HA THR 5 HA THR 5 5.987 -3.600 -10.454 27 HB THR 5 HB THR 5 7.300 -4.434 -8.347 28 HG1 THR 5 HG1 THR 5 6.107 -6.149 -7.626 29 HG21 THR 5 1HG2 THR 5 6.209 -2.915 -6.811 30 HG22 THR 5 2HG2 THR 5 4.722 -2.944 -7.804 31 HG23 THR 5 3HG2 THR 5 6.186 -2.219 -8.425 32 H SER 6 H SER 6 8.056 -4.764 -10.904 33 HA SER 6 HA SER 6 7.602 -7.415 -12.066 34 HB2 SER 6 1HB SER 6 10.100 -7.067 -12.570 35 HB3 SER 6 2HB SER 6 8.918 -5.988 -13.387 36 HG SER 6 HG SER 6 10.735 -4.910 -12.332 37 H PHE 7 H PHE 7 8.260 -6.299 -9.023 38 HA PHE 7 HA PHE 7 9.701 -8.813 -8.243 39 HB2 PHE 7 1HB PHE 7 9.824 -6.055 -6.983 40 HB3 PHE 7 2HB PHE 7 10.545 -7.558 -6.326 41 HD1 PHE 7 HD1 PHE 7 12.476 -8.548 -7.499 42 HD2 PHE 7 HD2 PHE 7 10.825 -4.810 -8.850 43 HE1 PHE 7 HE1 PHE 7 14.539 -8.137 -8.808 44 HE2 PHE 7 HE2 PHE 7 12.816 -4.404 -10.216 45 HZ PHE 7 HZ PHE 7 14.686 -6.043 -10.181 46 H ASP 8 H ASP 8 9.028 -9.326 -5.820 47 HA ASP 8 HA ASP 8 6.144 -9.532 -5.832 48 HB2 ASP 8 1HB ASP 8 6.307 -10.786 -3.836 49 HB3 ASP 8 2HB ASP 8 7.634 -11.298 -4.871 Start of MODEL 14 1 H1 PHE 1 H PHE 1 5.492 -10.091 -5.017 2 HA PHE 1 HA PHE 1 3.359 -9.466 -4.752 3 HB2 PHE 1 1HB PHE 1 2.574 -9.397 -2.507 4 HB3 PHE 1 2HB PHE 1 3.850 -10.598 -2.631 5 HD1 PHE 1 HD1 PHE 1 2.912 -7.245 -1.264 6 HD2 PHE 1 HD2 PHE 1 5.920 -10.314 -1.450 7 HE1 PHE 1 HE1 PHE 1 4.040 -6.208 0.708 8 HE2 PHE 1 HE2 PHE 1 7.143 -9.268 0.439 9 HZ PHE 1 HZ PHE 1 6.196 -7.214 1.560 10 H VAL 2 H VAL 2 5.270 -6.814 -5.019 11 HA VAL 2 HA VAL 2 3.223 -4.827 -4.102 12 HB VAL 2 HB VAL 2 5.750 -4.535 -5.831 13 HG11 VAL 2 1HG1 VAL 2 3.977 -2.361 -4.644 14 HG12 VAL 2 2HG1 VAL 2 4.092 -2.758 -6.366 15 HG13 VAL 2 3HG1 VAL 2 5.509 -2.107 -5.535 16 HG21 VAL 2 1HG2 VAL 2 6.771 -3.526 -3.907 17 HG22 VAL 2 2HG2 VAL 2 6.174 -5.140 -3.476 18 HG23 VAL 2 3HG2 VAL 2 5.282 -3.683 -2.951 19 H GLY 3 H GLY 3 1.521 -4.284 -5.207 20 HA2 GLY 3 1HA GLY 3 0.702 -5.954 -7.385 21 HA3 GLY 3 2HA GLY 3 -0.115 -4.467 -6.832 22 H GLY 4 H GLY 4 0.843 -5.805 -9.526 23 HA2 GLY 4 1HA GLY 4 0.876 -4.782 -11.619 24 HA3 GLY 4 2HA GLY 4 0.844 -3.221 -10.801 25 H THR 5 H THR 5 3.434 -5.185 -9.608 26 HA THR 5 HA THR 5 5.319 -4.069 -11.653 27 HB THR 5 HB THR 5 6.871 -3.469 -9.869 28 HG1 THR 5 HG1 THR 5 5.063 -4.885 -8.281 29 HG21 THR 5 1HG2 THR 5 5.708 -1.619 -8.894 30 HG22 THR 5 2HG2 THR 5 4.143 -2.463 -8.911 31 HG23 THR 5 3HG2 THR 5 4.882 -1.888 -10.420 32 H SER 6 H SER 6 7.566 -5.148 -11.282 33 HA SER 6 HA SER 6 7.153 -8.080 -11.134 34 HB2 SER 6 1HB SER 6 9.644 -6.470 -11.824 35 HB3 SER 6 2HB SER 6 9.499 -8.225 -11.908 36 HG SER 6 HG SER 6 7.637 -7.827 -13.331 37 H PHE 7 H PHE 7 7.762 -5.693 -8.883 38 HA PHE 7 HA PHE 7 9.912 -6.878 -7.374 39 HB2 PHE 7 1HB PHE 7 7.774 -4.935 -6.577 40 HB3 PHE 7 2HB PHE 7 9.222 -5.274 -5.660 41 HD1 PHE 7 HD1 PHE 7 7.838 -2.901 -7.890 42 HD2 PHE 7 HD2 PHE 7 11.502 -5.128 -7.203 43 HE1 PHE 7 HE1 PHE 7 9.143 -1.108 -9.115 44 HE2 PHE 7 HE2 PHE 7 12.794 -3.290 -8.490 45 HZ PHE 7 HZ PHE 7 11.525 -1.326 -9.396 46 H ASP 8 H ASP 8 9.415 -7.849 -5.091 47 HA ASP 8 HA ASP 8 7.507 -9.925 -5.398 48 HB2 ASP 8 1HB ASP 8 8.948 -8.781 -3.018 49 HB3 ASP 8 2HB ASP 8 8.057 -10.347 -3.022 Start of MODEL 15 1 H1 PHE 1 H PHE 1 6.857 -7.859 -4.179 2 HA PHE 1 HA PHE 1 4.696 -7.953 -2.264 3 HB2 PHE 1 1HB PHE 1 7.037 -7.391 -1.644 4 HB3 PHE 1 2HB PHE 1 6.967 -5.990 -2.695 5 HD1 PHE 1 HD1 PHE 1 6.553 -3.931 -1.776 6 HD2 PHE 1 HD2 PHE 1 5.103 -7.442 0.306 7 HE1 PHE 1 HE1 PHE 1 5.791 -2.516 0.122 8 HE2 PHE 1 HE2 PHE 1 4.371 -6.022 2.180 9 HZ PHE 1 HZ PHE 1 4.689 -3.566 2.088 10 H VAL 2 H VAL 2 2.791 -6.853 -2.481 11 HA VAL 2 HA VAL 2 1.227 -5.296 -3.091 12 HB VAL 2 HB VAL 2 3.440 -3.641 -4.365 13 HG11 VAL 2 1HG1 VAL 2 0.508 -3.064 -3.784 14 HG12 VAL 2 2HG1 VAL 2 1.316 -3.031 -5.375 15 HG13 VAL 2 3HG1 VAL 2 1.697 -1.779 -4.171 16 HG21 VAL 2 1HG2 VAL 2 3.230 -2.223 -2.304 17 HG22 VAL 2 2HG2 VAL 2 3.773 -3.846 -1.904 18 HG23 VAL 2 3HG2 VAL 2 2.065 -3.410 -1.657 19 H GLY 3 H GLY 3 3.606 -5.777 -5.737 20 HA2 GLY 3 1HA GLY 3 3.292 -6.810 -7.769 21 HA3 GLY 3 2HA GLY 3 1.576 -7.020 -7.430 22 H GLY 4 H GLY 4 2.015 -6.558 -9.805 23 HA2 GLY 4 1HA GLY 4 1.131 -5.109 -11.456 24 HA3 GLY 4 2HA GLY 4 1.110 -3.790 -10.242 25 H THR 5 H THR 5 3.987 -5.406 -9.952 26 HA THR 5 HA THR 5 5.475 -3.704 -11.883 27 HB THR 5 HB THR 5 7.045 -3.104 -10.046 28 HG1 THR 5 HG1 THR 5 5.115 -3.900 -8.181 29 HG21 THR 5 1HG2 THR 5 4.256 -2.308 -9.180 30 HG22 THR 5 2HG2 THR 5 5.107 -1.528 -10.554 31 HG23 THR 5 3HG2 THR 5 5.778 -1.435 -8.891 32 H SER 6 H SER 6 8.001 -4.660 -11.425 33 HA SER 6 HA SER 6 7.884 -7.549 -11.839 34 HB2 SER 6 1HB SER 6 10.265 -5.800 -11.029 35 HB3 SER 6 2HB SER 6 10.329 -7.442 -11.759 36 HG SER 6 HG SER 6 10.413 -6.291 -13.531 37 H PHE 7 H PHE 7 7.705 -5.641 -8.947 38 HA PHE 7 HA PHE 7 9.089 -7.712 -7.263 39 HB2 PHE 7 1HB PHE 7 7.409 -5.269 -6.498 40 HB3 PHE 7 2HB PHE 7 8.517 -6.174 -5.467 41 HD1 PHE 7 HD1 PHE 7 8.179 -3.345 -7.641 42 HD2 PHE 7 HD2 PHE 7 11.034 -6.293 -6.191 43 HE1 PHE 7 HE1 PHE 7 9.970 -1.796 -8.229 44 HE2 PHE 7 HE2 PHE 7 12.908 -4.672 -6.748 45 HZ PHE 7 HZ PHE 7 12.407 -2.424 -7.738 46 H ASP 8 H ASP 8 7.995 -9.171 -6.084 47 HA ASP 8 HA ASP 8 5.202 -9.737 -6.639 48 HB2 ASP 8 1HB ASP 8 7.177 -10.854 -4.644 49 HB3 ASP 8 2HB ASP 8 5.546 -11.511 -4.848 Start of MODEL 16 1 H1 PHE 1 H PHE 1 6.753 -7.557 -4.928 2 HA PHE 1 HA PHE 1 5.065 -7.517 -2.570 3 HB2 PHE 1 1HB PHE 1 7.124 -6.062 -3.029 4 HB3 PHE 1 2HB PHE 1 6.124 -5.188 -4.203 5 HD1 PHE 1 HD1 PHE 1 5.766 -6.357 -0.644 6 HD2 PHE 1 HD2 PHE 1 5.261 -3.134 -3.445 7 HE1 PHE 1 HE1 PHE 1 4.801 -4.943 1.181 8 HE2 PHE 1 HE2 PHE 1 4.295 -1.699 -1.622 9 HZ PHE 1 HZ PHE 1 4.070 -2.570 0.699 10 H VAL 2 H VAL 2 3.110 -5.941 -2.458 11 HA VAL 2 HA VAL 2 1.147 -6.728 -4.298 12 HB VAL 2 HB VAL 2 -0.301 -4.935 -3.370 13 HG11 VAL 2 1HG1 VAL 2 1.432 -6.364 -1.356 14 HG12 VAL 2 2HG1 VAL 2 -0.009 -7.019 -2.162 15 HG13 VAL 2 3HG1 VAL 2 -0.174 -5.666 -1.023 16 HG21 VAL 2 1HG2 VAL 2 2.236 -3.948 -1.957 17 HG22 VAL 2 2HG2 VAL 2 0.597 -3.410 -1.593 18 HG23 VAL 2 3HG2 VAL 2 1.291 -3.065 -3.184 19 H GLY 3 H GLY 3 0.148 -5.714 -6.094 20 HA2 GLY 3 1HA GLY 3 0.030 -3.958 -7.737 21 HA3 GLY 3 2HA GLY 3 1.655 -3.410 -7.236 22 H GLY 4 H GLY 4 2.934 -6.068 -7.195 23 HA2 GLY 4 1HA GLY 4 3.954 -7.518 -8.618 24 HA3 GLY 4 2HA GLY 4 2.427 -7.627 -9.499 25 H THR 5 H THR 5 4.135 -4.533 -9.388 26 HA THR 5 HA THR 5 4.187 -4.367 -12.216 27 HB THR 5 HB THR 5 5.990 -2.901 -10.195 28 HG1 THR 5 HG1 THR 5 4.397 -1.366 -10.130 29 HG21 THR 5 1HG2 THR 5 5.879 -0.999 -11.945 30 HG22 THR 5 2HG2 THR 5 5.161 -2.159 -13.070 31 HG23 THR 5 3HG2 THR 5 6.794 -2.434 -12.455 32 H SER 6 H SER 6 6.599 -5.440 -9.850 33 HA SER 6 HA SER 6 8.283 -6.763 -11.920 34 HB2 SER 6 1HB SER 6 9.162 -4.444 -12.004 35 HB3 SER 6 2HB SER 6 9.369 -4.496 -10.241 36 HG SER 6 HG SER 6 10.713 -6.068 -12.146 37 H PHE 7 H PHE 7 8.213 -5.597 -8.500 38 HA PHE 7 HA PHE 7 9.495 -8.089 -7.558 39 HB2 PHE 7 1HB PHE 7 8.134 -5.805 -6.059 40 HB3 PHE 7 2HB PHE 7 9.175 -7.064 -5.348 41 HD1 PHE 7 HD1 PHE 7 11.519 -7.332 -6.857 42 HD2 PHE 7 HD2 PHE 7 9.217 -3.730 -6.142 43 HE1 PHE 7 HE1 PHE 7 13.547 -5.933 -7.262 44 HE2 PHE 7 HE2 PHE 7 11.221 -2.352 -6.539 45 HZ PHE 7 HZ PHE 7 13.455 -3.465 -7.136 46 H ASP 8 H ASP 8 8.460 -9.299 -5.690 47 HA ASP 8 HA ASP 8 5.793 -10.162 -6.471 48 HB2 ASP 8 1HB ASP 8 6.124 -11.957 -4.887 49 HB3 ASP 8 2HB ASP 8 7.643 -11.762 -5.790 Start of MODEL 17 1 H1 PHE 1 H PHE 1 6.224 -7.582 -5.107 2 HA PHE 1 HA PHE 1 4.286 -7.821 -2.854 3 HB2 PHE 1 1HB PHE 1 6.862 -7.861 -2.050 4 HB3 PHE 1 2HB PHE 1 6.829 -6.166 -2.550 5 HD1 PHE 1 HD1 PHE 1 5.299 -8.717 -0.303 6 HD2 PHE 1 HD2 PHE 1 5.817 -4.594 -1.094 7 HE1 PHE 1 HE1 PHE 1 4.228 -8.243 1.917 8 HE2 PHE 1 HE2 PHE 1 4.701 -3.973 1.111 9 HZ PHE 1 HZ PHE 1 3.986 -5.872 2.614 10 H VAL 2 H VAL 2 3.110 -5.774 -2.864 11 HA VAL 2 HA VAL 2 2.089 -4.044 -3.941 12 HB VAL 2 HB VAL 2 4.840 -3.394 -5.085 13 HG11 VAL 2 1HG1 VAL 2 2.843 -2.243 -6.192 14 HG12 VAL 2 2HG1 VAL 2 4.035 -1.152 -5.464 15 HG13 VAL 2 3HG1 VAL 2 2.476 -1.492 -4.611 16 HG21 VAL 2 1HG2 VAL 2 4.955 -3.457 -2.682 17 HG22 VAL 2 2HG2 VAL 2 3.523 -2.511 -2.503 18 HG23 VAL 2 3HG2 VAL 2 4.976 -1.790 -3.181 19 H GLY 3 H GLY 3 0.778 -5.406 -5.175 20 HA2 GLY 3 1HA GLY 3 1.637 -7.040 -7.327 21 HA3 GLY 3 2HA GLY 3 -0.048 -6.519 -7.050 22 H GLY 4 H GLY 4 1.822 -6.901 -9.481 23 HA2 GLY 4 1HA GLY 4 1.486 -5.915 -11.644 24 HA3 GLY 4 2HA GLY 4 0.948 -4.403 -10.854 25 H THR 5 H THR 5 3.805 -5.146 -9.190 26 HA THR 5 HA THR 5 5.414 -3.538 -11.097 27 HB THR 5 HB THR 5 6.968 -3.206 -9.210 28 HG1 THR 5 HG1 THR 5 5.201 -4.514 -7.450 29 HG21 THR 5 1HG2 THR 5 5.688 -1.802 -7.781 30 HG22 THR 5 2HG2 THR 5 4.172 -2.664 -8.214 31 HG23 THR 5 3HG2 THR 5 5.010 -1.703 -9.424 32 H SER 6 H SER 6 7.877 -4.380 -10.893 33 HA SER 6 HA SER 6 7.883 -7.101 -11.848 34 HB2 SER 6 1HB SER 6 10.408 -6.847 -11.610 35 HB3 SER 6 2HB SER 6 9.681 -5.521 -12.510 36 HG SER 6 HG SER 6 11.165 -4.910 -10.840 37 H PHE 7 H PHE 7 8.012 -5.753 -8.626 38 HA PHE 7 HA PHE 7 9.499 -7.970 -7.502 39 HB2 PHE 7 1HB PHE 7 7.736 -5.855 -6.218 40 HB3 PHE 7 2HB PHE 7 8.930 -6.849 -5.416 41 HD1 PHE 7 HD1 PHE 7 11.350 -6.706 -6.045 42 HD2 PHE 7 HD2 PHE 7 8.458 -3.757 -7.119 43 HE1 PHE 7 HE1 PHE 7 13.210 -5.006 -6.375 44 HE2 PHE 7 HE2 PHE 7 10.183 -2.049 -7.440 45 HZ PHE 7 HZ PHE 7 12.616 -2.668 -7.050 46 H ASP 8 H ASP 8 8.347 -9.155 -5.520 47 HA ASP 8 HA ASP 8 5.619 -9.993 -6.478 48 HB2 ASP 8 1HB ASP 8 7.595 -11.547 -4.695 49 HB3 ASP 8 2HB ASP 8 5.937 -12.020 -5.089 Start of MODEL 18 1 H1 PHE 1 H PHE 1 7.137 -6.517 -5.267 2 HA PHE 1 HA PHE 1 5.030 -6.174 -3.302 3 HB2 PHE 1 1HB PHE 1 6.415 -4.417 -4.563 4 HB3 PHE 1 2HB PHE 1 5.363 -4.746 -5.934 5 HD1 PHE 1 HD1 PHE 1 5.438 -3.381 -2.511 6 HD2 PHE 1 HD2 PHE 1 3.096 -4.048 -6.076 7 HE1 PHE 1 HE1 PHE 1 3.778 -1.721 -1.726 8 HE2 PHE 1 HE2 PHE 1 1.385 -2.406 -5.272 9 HZ PHE 1 HZ PHE 1 1.735 -1.235 -3.120 10 H VAL 2 H VAL 2 2.766 -6.107 -3.905 11 HA VAL 2 HA VAL 2 2.056 -7.808 -6.305 12 HB VAL 2 HB VAL 2 0.118 -8.654 -4.963 13 HG11 VAL 2 1HG1 VAL 2 1.502 -10.289 -3.639 14 HG12 VAL 2 2HG1 VAL 2 2.917 -9.274 -3.810 15 HG13 VAL 2 3HG1 VAL 2 2.234 -9.998 -5.285 16 HG21 VAL 2 1HG2 VAL 2 0.286 -8.581 -2.464 17 HG22 VAL 2 2HG2 VAL 2 -0.023 -6.983 -3.213 18 HG23 VAL 2 3HG2 VAL 2 1.609 -7.409 -2.633 19 H GLY 3 H GLY 3 0.261 -7.090 -7.495 20 HA2 GLY 3 1HA GLY 3 -1.400 -5.547 -8.121 21 HA3 GLY 3 2HA GLY 3 -1.176 -4.733 -6.567 22 H GLY 4 H GLY 4 1.797 -5.332 -8.124 23 HA2 GLY 4 1HA GLY 4 2.089 -3.408 -10.117 24 HA3 GLY 4 2HA GLY 4 2.371 -2.549 -8.579 25 H THR 5 H THR 5 4.444 -2.777 -10.281 26 HA THR 5 HA THR 5 6.618 -3.364 -10.473 27 HB THR 5 HB THR 5 6.547 -4.837 -7.826 28 HG1 THR 5 HG1 THR 5 5.518 -3.146 -7.110 29 HG21 THR 5 1HG2 THR 5 8.746 -4.687 -8.635 30 HG22 THR 5 2HG2 THR 5 8.618 -3.357 -7.508 31 HG23 THR 5 3HG2 THR 5 8.558 -3.042 -9.228 32 H SER 6 H SER 6 8.270 -5.224 -10.589 33 HA SER 6 HA SER 6 6.811 -7.539 -11.748 34 HB2 SER 6 1HB SER 6 9.045 -8.032 -12.805 35 HB3 SER 6 2HB SER 6 8.352 -6.452 -13.258 36 HG SER 6 HG SER 6 10.550 -6.266 -12.719 37 H PHE 7 H PHE 7 8.223 -6.761 -8.821 38 HA PHE 7 HA PHE 7 8.287 -9.613 -8.165 39 HB2 PHE 7 1HB PHE 7 10.605 -9.794 -7.449 40 HB3 PHE 7 2HB PHE 7 10.583 -9.221 -9.115 41 HD1 PHE 7 HD1 PHE 7 11.129 -6.825 -9.661 42 HD2 PHE 7 HD2 PHE 7 11.547 -8.332 -5.627 43 HE1 PHE 7 HE1 PHE 7 12.624 -4.890 -9.029 44 HE2 PHE 7 HE2 PHE 7 12.982 -6.427 -5.109 45 HZ PHE 7 HZ PHE 7 13.573 -4.785 -6.781 46 H ASP 8 H ASP 8 8.503 -9.867 -5.886 47 HA ASP 8 HA ASP 8 8.233 -9.582 -3.659 48 HB2 ASP 8 1HB ASP 8 10.269 -8.401 -3.711 49 HB3 ASP 8 2HB ASP 8 9.548 -6.914 -4.311 Start of MODEL 19 1 H1 PHE 1 H PHE 1 6.589 -8.263 -5.898 2 HA PHE 1 HA PHE 1 5.039 -9.684 -6.694 3 HB2 PHE 1 1HB PHE 1 4.227 -9.673 -3.736 4 HB3 PHE 1 2HB PHE 1 3.575 -10.822 -4.930 5 HD1 PHE 1 HD1 PHE 1 5.041 -12.504 -5.950 6 HD2 PHE 1 HD2 PHE 1 6.571 -9.794 -2.943 7 HE1 PHE 1 HE1 PHE 1 7.027 -13.956 -5.659 8 HE2 PHE 1 HE2 PHE 1 8.521 -11.271 -2.680 9 HZ PHE 1 HZ PHE 1 8.787 -13.336 -4.038 10 H VAL 2 H VAL 2 2.567 -8.614 -4.387 11 HA VAL 2 HA VAL 2 0.717 -8.179 -6.704 12 HB VAL 2 HB VAL 2 -0.983 -7.994 -4.952 13 HG11 VAL 2 1HG1 VAL 2 -0.926 -10.289 -4.109 14 HG12 VAL 2 2HG1 VAL 2 0.859 -10.281 -4.192 15 HG13 VAL 2 3HG1 VAL 2 -0.090 -10.286 -5.691 16 HG21 VAL 2 1HG2 VAL 2 1.366 -8.060 -2.992 17 HG22 VAL 2 2HG2 VAL 2 -0.317 -8.310 -2.527 18 HG23 VAL 2 3HG2 VAL 2 0.159 -6.758 -3.196 19 H GLY 3 H GLY 3 2.971 -6.213 -5.038 20 HA2 GLY 3 1HA GLY 3 1.239 -3.843 -4.914 21 HA3 GLY 3 2HA GLY 3 2.879 -3.976 -4.308 22 H GLY 4 H GLY 4 3.177 -5.331 -7.263 23 HA2 GLY 4 1HA GLY 4 2.959 -3.089 -9.055 24 HA3 GLY 4 2HA GLY 4 4.606 -3.169 -8.424 25 H THR 5 H THR 5 4.746 -3.469 -10.932 26 HA THR 5 HA THR 5 4.307 -6.259 -11.795 27 HB THR 5 HB THR 5 5.900 -4.079 -13.181 28 HG1 THR 5 HG1 THR 5 4.013 -3.461 -14.086 29 HG21 THR 5 1HG2 THR 5 4.402 -6.520 -14.273 30 HG22 THR 5 2HG2 THR 5 6.177 -6.393 -14.143 31 HG23 THR 5 3HG2 THR 5 5.290 -5.312 -15.249 32 H SER 6 H SER 6 5.649 -7.858 -11.330 33 HA SER 6 HA SER 6 7.454 -9.106 -10.881 34 HB2 SER 6 1HB SER 6 9.291 -6.922 -11.667 35 HB3 SER 6 2HB SER 6 9.490 -8.678 -11.811 36 HG SER 6 HG SER 6 8.959 -7.431 -13.743 37 H PHE 7 H PHE 7 7.682 -5.816 -9.518 38 HA PHE 7 HA PHE 7 9.222 -7.076 -7.233 39 HB2 PHE 7 1HB PHE 7 8.874 -4.174 -8.053 40 HB3 PHE 7 2HB PHE 7 9.838 -4.793 -6.684 41 HD1 PHE 7 HD1 PHE 7 9.858 -3.859 -10.079 42 HD2 PHE 7 HD2 PHE 7 11.764 -6.466 -7.305 43 HE1 PHE 7 HE1 PHE 7 11.840 -4.065 -11.604 44 HE2 PHE 7 HE2 PHE 7 13.771 -6.697 -8.767 45 HZ PHE 7 HZ PHE 7 13.783 -5.512 -10.936 46 H ASP 8 H ASP 8 8.632 -6.738 -5.115 47 HA ASP 8 HA ASP 8 7.168 -6.630 -3.372 48 HB2 ASP 8 1HB ASP 8 7.140 -4.183 -4.167 49 HB3 ASP 8 2HB ASP 8 5.549 -4.582 -4.839 Start of MODEL 20 1 H1 PHE 1 H PHE 1 6.213 -7.199 -4.353 2 HA PHE 1 HA PHE 1 4.004 -8.718 -2.996 3 HB2 PHE 1 1HB PHE 1 6.115 -8.252 -1.522 4 HB3 PHE 1 2HB PHE 1 5.475 -6.624 -1.446 5 HD1 PHE 1 HD1 PHE 1 3.948 -10.122 -1.254 6 HD2 PHE 1 HD2 PHE 1 4.304 -6.233 0.549 7 HE1 PHE 1 HE1 PHE 1 2.421 -10.798 0.546 8 HE2 PHE 1 HE2 PHE 1 2.637 -6.889 2.290 9 HZ PHE 1 HZ PHE 1 1.732 -9.219 2.313 10 H VAL 2 H VAL 2 2.215 -7.555 -2.626 11 HA VAL 2 HA VAL 2 0.562 -6.106 -2.958 12 HB VAL 2 HB VAL 2 2.327 -3.605 -2.855 13 HG11 VAL 2 1HG1 VAL 2 0.461 -2.807 -1.461 14 HG12 VAL 2 2HG1 VAL 2 -0.345 -4.361 -1.648 15 HG13 VAL 2 3HG1 VAL 2 -0.082 -3.324 -3.074 16 HG21 VAL 2 1HG2 VAL 2 2.209 -3.849 -0.289 17 HG22 VAL 2 2HG2 VAL 2 3.418 -4.831 -1.155 18 HG23 VAL 2 3HG2 VAL 2 1.912 -5.602 -0.588 19 H GLY 3 H GLY 3 1.969 -7.073 -5.377 20 HA2 GLY 3 1HA GLY 3 1.440 -6.790 -7.645 21 HA3 GLY 3 2HA GLY 3 0.381 -5.456 -7.202 22 H GLY 4 H GLY 4 1.622 -5.088 -9.511 23 HA2 GLY 4 1HA GLY 4 2.855 -3.095 -10.245 24 HA3 GLY 4 2HA GLY 4 3.947 -3.338 -8.880 25 H THR 5 H THR 5 4.786 -3.043 -11.430 26 HA THR 5 HA THR 5 5.129 -5.525 -12.861 27 HB THR 5 HB THR 5 6.728 -2.934 -13.152 28 HG1 THR 5 HG1 THR 5 4.961 -2.719 -14.897 29 HG21 THR 5 1HG2 THR 5 5.897 -4.989 -15.295 30 HG22 THR 5 2HG2 THR 5 7.477 -5.010 -14.483 31 HG23 THR 5 3HG2 THR 5 6.994 -3.639 -15.521 32 H SER 6 H SER 6 6.551 -7.039 -12.448 33 HA SER 6 HA SER 6 8.209 -8.261 -11.445 34 HB2 SER 6 1HB SER 6 9.906 -5.790 -11.857 35 HB3 SER 6 2HB SER 6 10.435 -7.466 -11.744 36 HG SER 6 HG SER 6 10.342 -6.817 -13.889 37 H PHE 7 H PHE 7 6.463 -6.963 -9.607 38 HA PHE 7 HA PHE 7 8.370 -6.357 -7.370 39 HB2 PHE 7 1HB PHE 7 5.629 -5.521 -8.092 40 HB3 PHE 7 2HB PHE 7 5.805 -6.020 -6.402 41 HD1 PHE 7 HD1 PHE 7 7.397 -4.917 -4.898 42 HD2 PHE 7 HD2 PHE 7 6.597 -3.526 -8.876 43 HE1 PHE 7 HE1 PHE 7 8.329 -2.729 -4.264 44 HE2 PHE 7 HE2 PHE 7 7.570 -1.294 -8.248 45 HZ PHE 7 HZ PHE 7 8.470 -0.882 -5.993 46 H ASP 8 H ASP 8 8.418 -7.628 -5.628 47 HA ASP 8 HA ASP 8 7.226 -10.277 -5.783 48 HB2 ASP 8 1HB ASP 8 8.584 -10.708 -3.849 49 HB3 ASP 8 2HB ASP 8 9.548 -9.620 -4.866
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