NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
643549 | 6s0n | 34414 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLN 27 H GLN 27 4.271 0.440 -3.502 2 HA GLN 27 HA GLN 27 1.361 0.483 -3.928 3 HB2 GLN 27 2HB GLN 27 0.994 1.058 -1.606 4 HB3 GLN 27 3HB GLN 27 1.888 -0.454 -1.697 5 HG2 GLN 27 2HG GLN 27 3.696 1.775 -1.562 6 HG3 GLN 27 3HG GLN 27 2.541 1.827 -0.231 7 HE21 GLN 27 1HE2 GLN 27 3.423 0.988 1.509 8 HE22 GLN 27 2HE2 GLN 27 4.382 -0.448 1.577 9 H ASP 28 H ASP 28 0.662 2.725 -2.622 10 HA ASP 28 HA ASP 28 2.458 4.894 -3.300 11 HB2 ASP 28 2HB ASP 28 -0.142 4.435 -4.760 12 HB3 ASP 28 3HB ASP 28 0.619 6.021 -4.668 13 H VAL 29 H VAL 29 2.407 5.544 -1.181 14 HA VAL 29 HA VAL 29 0.212 5.691 0.505 15 HB VAL 29 HB VAL 29 2.462 5.980 1.351 16 HG11 VAL 29 1HG1 VAL 29 3.660 8.133 0.996 17 HG12 VAL 29 2HG1 VAL 29 3.498 7.157 -0.465 18 HG13 VAL 29 3HG1 VAL 29 2.450 8.555 -0.216 19 HG21 VAL 29 1HG2 VAL 29 1.017 8.569 1.848 20 HG22 VAL 29 2HG2 VAL 29 0.457 7.030 2.502 21 HG23 VAL 29 3HG2 VAL 29 2.042 7.657 2.957 22 H ASN 30 H ASN 30 0.839 7.510 -2.278 23 HA ASN 30 HA ASN 30 -0.837 9.750 -1.421 24 HB2 ASN 30 2HB ASN 30 -0.190 10.723 -3.650 25 HB3 ASN 30 3HB ASN 30 1.161 10.431 -2.559 26 HD21 ASN 30 1HD2 ASN 30 -0.168 9.825 -5.605 27 HD22 ASN 30 2HD2 ASN 30 1.003 8.682 -6.160 28 H THR 31 H THR 31 -0.975 6.844 -3.224 29 HA THR 31 HA THR 31 -3.059 7.502 -5.024 30 HB THR 31 HB THR 31 -1.524 5.476 -5.151 31 HG1 THR 31 HG1 THR 31 -3.068 4.394 -6.306 32 HG21 THR 31 1HG2 THR 31 -3.383 3.739 -3.783 33 HG22 THR 31 2HG2 THR 31 -2.674 4.908 -2.670 34 HG23 THR 31 3HG2 THR 31 -1.631 3.853 -3.623 35 H ALA 32 H ALA 32 -3.069 7.262 -1.696 36 HA ALA 32 HA ALA 32 -5.986 6.859 -1.677 37 HB1 ALA 32 1HB ALA 32 -5.335 4.887 -0.688 38 HB2 ALA 32 2HB ALA 32 -3.908 5.606 0.059 39 HB3 ALA 32 3HB ALA 32 -5.510 5.935 0.720 40 H VAL 33 H VAL 33 -3.220 8.601 -0.550 41 HA VAL 33 HA VAL 33 -4.211 9.947 1.660 42 HB VAL 33 HB VAL 33 -1.856 10.043 0.642 43 HG11 VAL 33 1HG1 VAL 33 -1.342 11.624 -0.974 44 HG12 VAL 33 2HG1 VAL 33 -2.874 10.967 -1.554 45 HG13 VAL 33 3HG1 VAL 33 -2.838 12.521 -0.719 46 HG21 VAL 33 1HG2 VAL 33 -1.420 12.237 1.657 47 HG22 VAL 33 2HG2 VAL 33 -3.154 12.562 1.682 48 HG23 VAL 33 3HG2 VAL 33 -2.488 11.251 2.657 49 H ALA 34 H ALA 34 -5.146 12.024 1.925 50 HA ALA 34 HA ALA 34 -7.279 12.568 0.124 51 HB1 ALA 34 1HB ALA 34 -6.272 13.793 2.645 52 HB2 ALA 34 2HB ALA 34 -7.418 14.695 1.653 53 HB3 ALA 34 3HB ALA 34 -7.854 13.105 2.278 54 H TRP 35 H TRP 35 -4.210 14.184 0.842 55 HA TRP 35 HA TRP 35 -3.050 15.819 -0.234 56 HB2 TRP 35 2HB TRP 35 -3.465 13.945 -2.054 57 HB3 TRP 35 3HB TRP 35 -4.456 15.197 -2.797 58 HD1 TRP 35 HD1 TRP 35 -3.217 16.862 -4.309 59 HE1 TRP 35 HE1 TRP 35 -0.751 17.455 -4.748 60 HE3 TRP 35 HE3 TRP 35 -1.035 14.024 -0.658 61 HZ2 TRP 35 HZ2 TRP 35 1.783 16.806 -3.688 62 HZ3 TRP 35 HZ3 TRP 35 1.415 14.066 -0.438 63 HH2 TRP 35 HH2 TRP 35 2.793 15.428 -1.923 Start of MODEL 2 1 H1 GLN 27 H GLN 27 1.807 0.000 0.855 2 HA GLN 27 HA GLN 27 2.970 -0.609 -1.092 3 HB2 GLN 27 2HB GLN 27 0.916 -1.577 -2.079 4 HB3 GLN 27 3HB GLN 27 0.404 0.037 -2.554 5 HG2 GLN 27 2HG GLN 27 1.898 0.166 -4.260 6 HG3 GLN 27 3HG GLN 27 3.072 -0.878 -3.459 7 HE21 GLN 27 1HE2 GLN 27 2.844 -1.455 -5.951 8 HE22 GLN 27 2HE2 GLN 27 1.851 -2.836 -6.250 9 H ASP 28 H ASP 28 0.788 2.155 -0.977 10 HA ASP 28 HA ASP 28 2.998 3.949 -1.451 11 HB2 ASP 28 2HB ASP 28 0.746 3.667 -3.438 12 HB3 ASP 28 3HB ASP 28 1.722 5.128 -3.319 13 H VAL 29 H VAL 29 2.582 4.866 0.526 14 HA VAL 29 HA VAL 29 0.118 5.525 1.612 15 HB VAL 29 HB VAL 29 1.273 7.063 3.073 16 HG11 VAL 29 1HG1 VAL 29 2.409 5.463 4.179 17 HG12 VAL 29 2HG1 VAL 29 1.789 4.414 2.902 18 HG13 VAL 29 3HG1 VAL 29 3.421 5.073 2.789 19 HG21 VAL 29 1HG2 VAL 29 2.984 7.405 0.803 20 HG22 VAL 29 2HG2 VAL 29 2.888 8.367 2.278 21 HG23 VAL 29 3HG2 VAL 29 3.949 6.960 2.210 22 H ASN 30 H ASN 30 1.634 6.865 -1.097 23 HA ASN 30 HA ASN 30 0.202 9.408 -0.876 24 HB2 ASN 30 2HB ASN 30 2.556 8.448 -2.378 25 HB3 ASN 30 3HB ASN 30 1.506 9.554 -3.259 26 HD21 ASN 30 1HD2 ASN 30 1.586 11.670 -2.815 27 HD22 ASN 30 2HD2 ASN 30 2.553 12.379 -1.571 28 H THR 31 H THR 31 -0.004 6.342 -2.382 29 HA THR 31 HA THR 31 -1.498 7.044 -4.684 30 HB THR 31 HB THR 31 -0.325 4.827 -4.251 31 HG1 THR 31 HG1 THR 31 -2.205 5.404 -5.827 32 HG21 THR 31 1HG2 THR 31 -2.073 4.744 -2.075 33 HG22 THR 31 2HG2 THR 31 -1.036 3.440 -2.652 34 HG23 THR 31 3HG2 THR 31 -2.703 3.555 -3.214 35 H ALA 32 H ALA 32 -2.289 7.237 -1.449 36 HA ALA 32 HA ALA 32 -5.163 7.242 -2.093 37 HB1 ALA 32 1HB ALA 32 -3.756 5.953 0.200 38 HB2 ALA 32 2HB ALA 32 -5.390 6.580 0.425 39 HB3 ALA 32 3HB ALA 32 -5.079 5.345 -0.796 40 H VAL 33 H VAL 33 -2.473 8.718 -0.495 41 HA VAL 33 HA VAL 33 -3.703 10.462 1.272 42 HB VAL 33 HB VAL 33 -1.196 10.100 0.854 43 HG11 VAL 33 1HG1 VAL 33 -0.074 11.374 -0.726 44 HG12 VAL 33 2HG1 VAL 33 -1.520 10.861 -1.599 45 HG13 VAL 33 3HG1 VAL 33 -1.423 12.491 -0.931 46 HG21 VAL 33 1HG2 VAL 33 -2.665 12.409 1.811 47 HG22 VAL 33 2HG2 VAL 33 -1.260 11.599 2.505 48 HG23 VAL 33 3HG2 VAL 33 -1.043 12.835 1.265 49 H ALA 34 H ALA 34 -4.560 12.516 1.123 50 HA ALA 34 HA ALA 34 -4.960 13.625 -1.567 51 HB1 ALA 34 1HB ALA 34 -7.198 13.538 -1.504 52 HB2 ALA 34 2HB ALA 34 -6.958 12.289 -0.282 53 HB3 ALA 34 3HB ALA 34 -7.264 13.955 0.209 54 H TRP 35 H TRP 35 -5.137 15.862 -1.674 55 HA TRP 35 HA TRP 35 -4.188 17.261 0.715 56 HB2 TRP 35 2HB TRP 35 -3.637 19.101 -0.851 57 HB3 TRP 35 3HB TRP 35 -2.856 17.585 -1.291 58 HD1 TRP 35 HD1 TRP 35 -6.037 19.571 -2.308 59 HE1 TRP 35 HE1 TRP 35 -6.416 19.212 -4.828 60 HE3 TRP 35 HE3 TRP 35 -2.210 16.314 -3.249 61 HZ2 TRP 35 HZ2 TRP 35 -5.248 17.742 -6.936 62 HZ3 TRP 35 HZ3 TRP 35 -1.909 15.479 -5.543 63 HH2 TRP 35 HH2 TRP 35 -3.398 16.178 -7.347 Start of MODEL 3 1 H1 GLN 27 H GLN 27 2.569 -0.519 0.727 2 HA GLN 27 HA GLN 27 2.367 0.192 -2.093 3 HB2 GLN 27 2HB GLN 27 0.485 -0.659 -0.339 4 HB3 GLN 27 3HB GLN 27 0.269 1.081 -0.213 5 HG2 GLN 27 2HG GLN 27 -0.559 1.274 -2.305 6 HG3 GLN 27 3HG GLN 27 0.443 -0.030 -2.941 7 HE21 GLN 27 1HE2 GLN 27 -0.722 -1.655 -3.645 8 HE22 GLN 27 2HE2 GLN 27 -2.189 -2.242 -2.948 9 H ASP 28 H ASP 28 1.968 2.348 -2.792 10 HA ASP 28 HA ASP 28 3.571 4.285 -1.425 11 HB2 ASP 28 2HB ASP 28 1.870 4.398 -3.913 12 HB3 ASP 28 3HB ASP 28 2.728 5.805 -3.292 13 H VAL 29 H VAL 29 2.660 4.812 0.528 14 HA VAL 29 HA VAL 29 -0.015 5.265 1.092 15 HB VAL 29 HB VAL 29 0.696 6.491 3.048 16 HG11 VAL 29 1HG1 VAL 29 2.939 4.625 3.019 17 HG12 VAL 29 2HG1 VAL 29 1.506 4.661 4.048 18 HG13 VAL 29 3HG1 VAL 29 1.428 3.916 2.450 19 HG21 VAL 29 1HG2 VAL 29 2.878 7.254 1.361 20 HG22 VAL 29 2HG2 VAL 29 2.402 7.910 2.928 21 HG23 VAL 29 3HG2 VAL 29 3.505 6.536 2.846 22 H ASN 30 H ASN 30 2.045 7.088 -0.874 23 HA ASN 30 HA ASN 30 0.499 9.550 -0.536 24 HB2 ASN 30 2HB ASN 30 2.206 10.568 -2.009 25 HB3 ASN 30 3HB ASN 30 2.922 9.808 -0.591 26 HD21 ASN 30 1HD2 ASN 30 4.326 8.156 -0.841 27 HD22 ASN 30 2HD2 ASN 30 4.843 7.549 -2.374 28 H THR 31 H THR 31 0.781 6.827 -2.590 29 HA THR 31 HA THR 31 -0.150 7.963 -5.012 30 HB THR 31 HB THR 31 0.976 5.698 -4.729 31 HG1 THR 31 HG1 THR 31 0.185 5.251 -6.657 32 HG21 THR 31 1HG2 THR 31 -0.037 4.036 -3.636 33 HG22 THR 31 2HG2 THR 31 -1.526 4.264 -4.552 34 HG23 THR 31 3HG2 THR 31 -1.234 5.212 -3.094 35 H ALA 32 H ALA 32 -1.694 7.542 -2.086 36 HA ALA 32 HA ALA 32 -4.330 7.684 -3.391 37 HB1 ALA 32 1HB ALA 32 -3.456 5.975 -1.107 38 HB2 ALA 32 2HB ALA 32 -5.120 6.557 -1.168 39 HB3 ALA 32 3HB ALA 32 -4.481 5.575 -2.486 40 H VAL 33 H VAL 33 -2.160 8.814 -0.945 41 HA VAL 33 HA VAL 33 -3.847 10.199 0.763 42 HB VAL 33 HB VAL 33 -1.300 9.906 0.907 43 HG11 VAL 33 1HG1 VAL 33 -1.055 11.120 -1.365 44 HG12 VAL 33 2HG1 VAL 33 -1.191 12.595 -0.405 45 HG13 VAL 33 3HG1 VAL 33 0.115 11.451 -0.088 46 HG21 VAL 33 1HG2 VAL 33 -1.496 11.216 2.695 47 HG22 VAL 33 2HG2 VAL 33 -1.648 12.660 1.694 48 HG23 VAL 33 3HG2 VAL 33 -3.078 11.705 2.087 49 H ALA 34 H ALA 34 -2.926 10.919 -2.503 50 HA ALA 34 HA ALA 34 -3.533 12.557 -3.962 51 HB1 ALA 34 1HB ALA 34 -5.792 12.637 -1.996 52 HB2 ALA 34 2HB ALA 34 -5.730 13.757 -3.358 53 HB3 ALA 34 3HB ALA 34 -5.774 12.018 -3.647 54 H TRP 35 H TRP 35 -4.269 15.040 -3.970 55 HA TRP 35 HA TRP 35 -3.524 17.164 -3.633 56 HB2 TRP 35 2HB TRP 35 -3.553 16.251 -0.748 57 HB3 TRP 35 3HB TRP 35 -3.458 17.927 -1.280 58 HD1 TRP 35 HD1 TRP 35 -5.912 15.464 -0.172 59 HE1 TRP 35 HE1 TRP 35 -8.304 16.189 -0.786 60 HE3 TRP 35 HE3 TRP 35 -4.804 19.174 -3.510 61 HZ2 TRP 35 HZ2 TRP 35 -9.556 18.083 -2.464 62 HZ3 TRP 35 HZ3 TRP 35 -6.657 20.393 -4.576 63 HH2 TRP 35 HH2 TRP 35 -8.983 19.857 -4.062 Start of MODEL 4 1 H1 GLN 27 H GLN 27 -2.042 1.216 -3.122 2 HA GLN 27 HA GLN 27 -0.092 0.033 -1.446 3 HB2 GLN 27 2HB GLN 27 -0.310 0.800 -4.281 4 HB3 GLN 27 3HB GLN 27 1.328 0.806 -3.641 5 HG2 GLN 27 2HG GLN 27 0.329 -1.565 -2.700 6 HG3 GLN 27 3HG GLN 27 -0.425 -1.426 -4.287 7 HE21 GLN 27 1HE2 GLN 27 1.375 -3.425 -3.712 8 HE22 GLN 27 2HE2 GLN 27 2.823 -3.172 -4.618 9 H ASP 28 H ASP 28 0.419 2.954 -3.408 10 HA ASP 28 HA ASP 28 2.409 3.923 -1.585 11 HB2 ASP 28 2HB ASP 28 1.147 5.074 -4.072 12 HB3 ASP 28 3HB ASP 28 2.337 5.959 -3.121 13 H VAL 29 H VAL 29 1.494 4.358 0.388 14 HA VAL 29 HA VAL 29 -0.935 5.590 0.905 15 HB VAL 29 HB VAL 29 -0.100 6.110 3.111 16 HG11 VAL 29 1HG1 VAL 29 1.400 3.653 2.911 17 HG12 VAL 29 2HG1 VAL 29 -0.164 3.958 3.671 18 HG13 VAL 29 3HG1 VAL 29 -0.077 3.577 1.950 19 HG21 VAL 29 1HG2 VAL 29 2.481 5.358 3.344 20 HG22 VAL 29 2HG2 VAL 29 2.502 6.067 1.729 21 HG23 VAL 29 3HG2 VAL 29 1.962 7.026 3.107 22 H ASN 30 H ASN 30 1.826 6.925 -0.520 23 HA ASN 30 HA ASN 30 1.139 9.660 0.264 24 HB2 ASN 30 2HB ASN 30 3.548 8.717 0.214 25 HB3 ASN 30 3HB ASN 30 3.428 8.897 -1.534 26 HD21 ASN 30 1HD2 ASN 30 2.835 11.061 -2.325 27 HD22 ASN 30 2HD2 ASN 30 3.439 12.436 -1.470 28 H THR 31 H THR 31 0.761 7.439 -2.312 29 HA THR 31 HA THR 31 0.546 9.254 -4.475 30 HB THR 31 HB THR 31 0.829 6.730 -4.632 31 HG1 THR 31 HG1 THR 31 0.031 6.838 -6.643 32 HG21 THR 31 1HG2 THR 31 -0.792 5.345 -3.972 33 HG22 THR 31 2HG2 THR 31 -2.006 6.237 -4.890 34 HG23 THR 31 3HG2 THR 31 -1.596 6.738 -3.250 35 H ALA 32 H ALA 32 -1.388 8.853 -1.787 36 HA ALA 32 HA ALA 32 -3.659 10.133 -3.158 37 HB1 ALA 32 1HB ALA 32 -4.594 8.075 -2.739 38 HB2 ALA 32 2HB ALA 32 -3.670 7.835 -1.256 39 HB3 ALA 32 3HB ALA 32 -5.033 8.954 -1.274 40 H VAL 33 H VAL 33 -1.545 9.973 -0.424 41 HA VAL 33 HA VAL 33 -2.879 11.508 1.460 42 HB VAL 33 HB VAL 33 -0.601 10.339 1.659 43 HG11 VAL 33 1HG1 VAL 33 1.346 11.461 1.088 44 HG12 VAL 33 2HG1 VAL 33 0.290 11.798 -0.285 45 HG13 VAL 33 3HG1 VAL 33 0.532 13.020 0.964 46 HG21 VAL 33 1HG2 VAL 33 -1.657 11.599 3.470 47 HG22 VAL 33 2HG2 VAL 33 0.093 11.818 3.473 48 HG23 VAL 33 3HG2 VAL 33 -0.953 13.091 2.845 49 H ALA 34 H ALA 34 -2.767 13.735 2.006 50 HA ALA 34 HA ALA 34 -3.013 15.952 1.545 51 HB1 ALA 34 1HB ALA 34 -0.510 15.181 0.147 52 HB2 ALA 34 2HB ALA 34 -1.188 16.775 -0.188 53 HB3 ALA 34 3HB ALA 34 -0.767 16.326 1.465 54 H TRP 35 H TRP 35 -5.020 14.921 0.413 55 HA TRP 35 HA TRP 35 -5.013 15.777 -2.408 56 HB2 TRP 35 2HB TRP 35 -5.675 13.278 -1.386 57 HB3 TRP 35 3HB TRP 35 -7.235 14.049 -1.658 58 HD1 TRP 35 HD1 TRP 35 -3.955 13.732 -3.735 59 HE1 TRP 35 HE1 TRP 35 -4.617 13.173 -6.159 60 HE3 TRP 35 HE3 TRP 35 -9.039 13.678 -3.197 61 HZ2 TRP 35 HZ2 TRP 35 -6.981 12.764 -7.646 62 HZ3 TRP 35 HZ3 TRP 35 -10.429 13.195 -5.169 63 HH2 TRP 35 HH2 TRP 35 -9.419 12.748 -7.347 Start of MODEL 5 1 H1 GLN 27 H GLN 27 1.453 -0.766 -0.825 2 HA GLN 27 HA GLN 27 1.589 0.350 -2.918 3 HB2 GLN 27 2HB GLN 27 -1.250 0.832 -2.240 4 HB3 GLN 27 3HB GLN 27 -0.453 2.105 -3.156 5 HG2 GLN 27 2HG GLN 27 -1.007 0.924 -4.955 6 HG3 GLN 27 3HG GLN 27 0.316 -0.148 -4.499 7 HE21 GLN 27 1HE2 GLN 27 -0.130 -2.146 -3.656 8 HE22 GLN 27 2HE2 GLN 27 -1.718 -2.826 -3.622 9 H ASP 28 H ASP 28 1.736 2.795 -3.411 10 HA ASP 28 HA ASP 28 3.235 3.997 -1.339 11 HB2 ASP 28 2HB ASP 28 2.172 5.045 -3.961 12 HB3 ASP 28 3HB ASP 28 3.137 6.036 -2.871 13 H VAL 29 H VAL 29 2.047 4.308 0.507 14 HA VAL 29 HA VAL 29 -0.543 5.274 0.724 15 HB VAL 29 HB VAL 29 -0.042 5.849 3.016 16 HG11 VAL 29 1HG1 VAL 29 -0.141 3.436 2.275 17 HG12 VAL 29 2HG1 VAL 29 1.622 3.432 2.348 18 HG13 VAL 29 3HG1 VAL 29 0.678 3.738 3.807 19 HG21 VAL 29 1HG2 VAL 29 2.713 5.234 3.244 20 HG22 VAL 29 2HG2 VAL 29 2.538 6.437 1.967 21 HG23 VAL 29 3HG2 VAL 29 1.902 6.764 3.579 22 H ASN 30 H ASN 30 2.215 6.908 -0.351 23 HA ASN 30 HA ASN 30 1.155 9.546 0.344 24 HB2 ASN 30 2HB ASN 30 3.306 10.406 -0.507 25 HB3 ASN 30 3HB ASN 30 3.538 9.194 0.749 26 HD21 ASN 30 1HD2 ASN 30 5.169 7.912 0.332 27 HD22 ASN 30 2HD2 ASN 30 5.650 7.339 -1.225 28 H THR 31 H THR 31 1.328 7.332 -2.260 29 HA THR 31 HA THR 31 1.189 9.145 -4.432 30 HB THR 31 HB THR 31 1.753 6.665 -4.554 31 HG1 THR 31 HG1 THR 31 1.190 8.104 -6.382 32 HG21 THR 31 1HG2 THR 31 -0.962 5.883 -5.159 33 HG22 THR 31 2HG2 THR 31 -0.810 6.402 -3.480 34 HG23 THR 31 3HG2 THR 31 0.218 5.111 -4.101 35 H ALA 32 H ALA 32 -1.005 8.509 -2.001 36 HA ALA 32 HA ALA 32 -3.213 9.562 -3.640 37 HB1 ALA 32 1HB ALA 32 -4.675 8.223 -1.936 38 HB2 ALA 32 2HB ALA 32 -3.973 7.413 -3.337 39 HB3 ALA 32 3HB ALA 32 -3.214 7.251 -1.754 40 H VAL 33 H VAL 33 -1.445 9.586 -0.665 41 HA VAL 33 HA VAL 33 -3.152 10.951 1.039 42 HB VAL 33 HB VAL 33 -0.807 10.020 1.517 43 HG11 VAL 33 1HG1 VAL 33 0.161 11.586 -0.300 44 HG12 VAL 33 2HG1 VAL 33 0.117 12.813 0.967 45 HG13 VAL 33 3HG1 VAL 33 1.068 11.345 1.193 46 HG21 VAL 33 1HG2 VAL 33 -1.983 10.971 3.308 47 HG22 VAL 33 2HG2 VAL 33 -0.435 11.817 3.299 48 HG23 VAL 33 3HG2 VAL 33 -1.870 12.597 2.634 49 H ALA 34 H ALA 34 -3.590 13.099 1.447 50 HA ALA 34 HA ALA 34 -3.947 15.301 0.994 51 HB1 ALA 34 1HB ALA 34 -1.243 14.953 0.776 52 HB2 ALA 34 2HB ALA 34 -1.652 15.700 -0.769 53 HB3 ALA 34 3HB ALA 34 -2.080 16.506 0.740 54 H TRP 35 H TRP 35 -4.228 16.903 -0.869 55 HA TRP 35 HA TRP 35 -4.851 15.522 -3.384 56 HB2 TRP 35 2HB TRP 35 -6.834 16.057 -1.651 57 HB3 TRP 35 3HB TRP 35 -6.769 17.605 -2.490 58 HD1 TRP 35 HD1 TRP 35 -7.384 17.600 -5.120 59 HE1 TRP 35 HE1 TRP 35 -8.791 15.967 -6.526 60 HE3 TRP 35 HE3 TRP 35 -7.457 13.623 -1.909 61 HZ2 TRP 35 HZ2 TRP 35 -9.799 13.339 -6.302 62 HZ3 TRP 35 HZ3 TRP 35 -8.665 11.587 -2.581 63 HH2 TRP 35 HH2 TRP 35 -9.812 11.451 -4.732 Start of MODEL 6 1 H1 GLN 27 H GLN 27 3.390 -1.142 -4.008 2 HA GLN 27 HA GLN 27 1.171 0.316 -3.134 3 HB2 GLN 27 2HB GLN 27 3.699 -0.294 -1.593 4 HB3 GLN 27 3HB GLN 27 2.144 0.146 -0.898 5 HG2 GLN 27 2HG GLN 27 2.717 -2.341 -2.495 6 HG3 GLN 27 3HG GLN 27 2.562 -2.248 -0.741 7 HE21 GLN 27 1HE2 GLN 27 0.623 -2.553 0.112 8 HE22 GLN 27 2HE2 GLN 27 -0.870 -2.558 -0.756 9 H ASP 28 H ASP 28 0.846 2.396 -2.537 10 HA ASP 28 HA ASP 28 3.084 4.227 -2.285 11 HB2 ASP 28 2HB ASP 28 1.025 4.445 -4.479 12 HB3 ASP 28 3HB ASP 28 1.957 5.831 -3.921 13 H VAL 29 H VAL 29 2.480 4.645 -0.192 14 HA VAL 29 HA VAL 29 -0.079 5.039 0.797 15 HB VAL 29 HB VAL 29 1.815 4.789 2.286 16 HG11 VAL 29 1HG1 VAL 29 3.507 5.953 1.008 17 HG12 VAL 29 2HG1 VAL 29 2.685 7.493 1.270 18 HG13 VAL 29 3HG1 VAL 29 3.412 6.636 2.631 19 HG21 VAL 29 1HG2 VAL 29 -0.257 6.080 2.972 20 HG22 VAL 29 2HG2 VAL 29 1.186 6.338 3.952 21 HG23 VAL 29 3HG2 VAL 29 0.703 7.543 2.759 22 H ASN 30 H ASN 30 1.654 6.986 -1.361 23 HA ASN 30 HA ASN 30 0.163 9.407 -0.669 24 HB2 ASN 30 2HB ASN 30 2.219 9.125 -2.859 25 HB3 ASN 30 3HB ASN 30 1.668 10.601 -2.071 26 HD21 ASN 30 1HD2 ASN 30 2.415 11.100 -0.009 27 HD22 ASN 30 2HD2 ASN 30 3.813 10.340 0.666 28 H THR 31 H THR 31 0.142 6.793 -2.879 29 HA THR 31 HA THR 31 -1.153 8.035 -5.070 30 HB THR 31 HB THR 31 0.012 5.773 -5.076 31 HG1 THR 31 HG1 THR 31 -2.570 5.526 -6.178 32 HG21 THR 31 1HG2 THR 31 -1.924 5.181 -3.151 33 HG22 THR 31 2HG2 THR 31 -0.814 4.049 -3.924 34 HG23 THR 31 3HG2 THR 31 -2.426 4.300 -4.593 35 H ALA 32 H ALA 32 -2.231 7.448 -1.966 36 HA ALA 32 HA ALA 32 -5.036 7.627 -2.845 37 HB1 ALA 32 1HB ALA 32 -3.819 5.813 -0.814 38 HB2 ALA 32 2HB ALA 32 -5.475 6.377 -0.593 39 HB3 ALA 32 3HB ALA 32 -5.038 5.472 -2.042 40 H VAL 33 H VAL 33 -2.519 8.663 -0.713 41 HA VAL 33 HA VAL 33 -3.924 9.932 1.311 42 HB VAL 33 HB VAL 33 -1.385 9.674 1.033 43 HG11 VAL 33 1HG1 VAL 33 -0.159 11.286 -0.095 44 HG12 VAL 33 2HG1 VAL 33 -1.520 11.010 -1.183 45 HG13 VAL 33 3HG1 VAL 33 -1.502 12.427 -0.133 46 HG21 VAL 33 1HG2 VAL 33 -2.498 12.291 2.040 47 HG22 VAL 33 2HG2 VAL 33 -2.452 10.776 2.941 48 HG23 VAL 33 3HG2 VAL 33 -0.948 11.581 2.493 49 H ALA 34 H ALA 34 -4.604 12.086 1.625 50 HA ALA 34 HA ALA 34 -5.925 13.239 -0.618 51 HB1 ALA 34 1HB ALA 34 -6.779 14.860 0.908 52 HB2 ALA 34 2HB ALA 34 -6.760 13.304 1.739 53 HB3 ALA 34 3HB ALA 34 -5.513 14.502 2.084 54 H TRP 35 H TRP 35 -4.222 13.700 -2.085 55 HA TRP 35 HA TRP 35 -2.675 15.015 -3.112 56 HB2 TRP 35 2HB TRP 35 -3.957 16.987 -1.229 57 HB3 TRP 35 3HB TRP 35 -2.681 17.466 -2.344 58 HD1 TRP 35 HD1 TRP 35 -5.625 15.089 -3.147 59 HE1 TRP 35 HE1 TRP 35 -6.964 16.108 -5.094 60 HE3 TRP 35 HE3 TRP 35 -3.122 19.521 -3.620 61 HZ2 TRP 35 HZ2 TRP 35 -6.960 18.478 -6.628 62 HZ3 TRP 35 HZ3 TRP 35 -3.852 21.109 -5.352 63 HH2 TRP 35 HH2 TRP 35 -5.731 20.596 -6.825 Start of MODEL 7 1 H1 GLN 27 H GLN 27 1.807 -0.466 -0.821 2 HA GLN 27 HA GLN 27 1.155 0.171 -3.436 3 HB2 GLN 27 2HB GLN 27 -0.958 1.495 -3.044 4 HB3 GLN 27 3HB GLN 27 -1.145 -0.254 -3.013 5 HG2 GLN 27 2HG GLN 27 -0.592 0.866 -0.389 6 HG3 GLN 27 3HG GLN 27 -2.059 1.514 -1.121 7 HE21 GLN 27 1HE2 GLN 27 -0.791 -0.951 0.697 8 HE22 GLN 27 2HE2 GLN 27 -2.068 -2.102 0.531 9 H ASP 28 H ASP 28 1.455 2.388 -3.922 10 HA ASP 28 HA ASP 28 3.200 3.738 -2.138 11 HB2 ASP 28 2HB ASP 28 1.886 4.548 -4.729 12 HB3 ASP 28 3HB ASP 28 2.956 5.627 -3.839 13 H VAL 29 H VAL 29 2.207 4.240 -0.220 14 HA VAL 29 HA VAL 29 -0.341 5.260 0.164 15 HB VAL 29 HB VAL 29 0.991 4.482 2.031 16 HG11 VAL 29 1HG1 VAL 29 2.698 6.939 1.659 17 HG12 VAL 29 2HG1 VAL 29 2.894 5.685 2.885 18 HG13 VAL 29 3HG1 VAL 29 3.170 5.308 1.184 19 HG21 VAL 29 1HG2 VAL 29 0.235 5.992 3.611 20 HG22 VAL 29 2HG2 VAL 29 0.609 7.392 2.605 21 HG23 VAL 29 3HG2 VAL 29 -0.781 6.376 2.221 22 H ASN 30 H ASN 30 2.306 6.747 -1.328 23 HA ASN 30 HA ASN 30 1.330 9.453 -0.790 24 HB2 ASN 30 2HB ASN 30 3.759 8.645 -2.397 25 HB3 ASN 30 3HB ASN 30 3.386 10.242 -1.755 26 HD21 ASN 30 1HD2 ASN 30 3.570 10.607 0.477 27 HD22 ASN 30 2HD2 ASN 30 4.532 9.579 1.478 28 H THR 31 H THR 31 1.230 6.999 -3.175 29 HA THR 31 HA THR 31 0.879 8.598 -5.485 30 HB THR 31 HB THR 31 1.415 6.111 -5.424 31 HG1 THR 31 HG1 THR 31 -0.691 7.062 -7.097 32 HG21 THR 31 1HG2 THR 31 -1.350 5.311 -5.675 33 HG22 THR 31 2HG2 THR 31 -1.030 5.991 -4.079 34 HG23 THR 31 3HG2 THR 31 -0.074 4.631 -4.666 35 H ALA 32 H ALA 32 -1.061 8.225 -2.796 36 HA ALA 32 HA ALA 32 -3.418 9.155 -4.297 37 HB1 ALA 32 1HB ALA 32 -3.241 7.028 -2.213 38 HB2 ALA 32 2HB ALA 32 -4.708 7.999 -2.341 39 HB3 ALA 32 3HB ALA 32 -4.154 7.053 -3.722 40 H VAL 33 H VAL 33 -1.350 9.437 -1.541 41 HA VAL 33 HA VAL 33 -2.867 10.969 0.200 42 HB VAL 33 HB VAL 33 -0.484 10.067 0.512 43 HG11 VAL 33 1HG1 VAL 33 1.345 11.334 -0.138 44 HG12 VAL 33 2HG1 VAL 33 0.279 11.454 -1.539 45 HG13 VAL 33 3HG1 VAL 33 0.378 12.787 -0.388 46 HG21 VAL 33 1HG2 VAL 33 0.005 11.705 2.225 47 HG22 VAL 33 2HG2 VAL 33 -1.084 12.866 1.466 48 HG23 VAL 33 3HG2 VAL 33 -1.730 11.389 2.182 49 H ALA 34 H ALA 34 -3.180 13.178 0.490 50 HA ALA 34 HA ALA 34 -3.550 15.342 -0.111 51 HB1 ALA 34 1HB ALA 34 -1.866 16.515 -1.235 52 HB2 ALA 34 2HB ALA 34 -1.017 15.196 -0.428 53 HB3 ALA 34 3HB ALA 34 -1.365 15.096 -2.154 54 H TRP 35 H TRP 35 -4.070 16.769 -2.087 55 HA TRP 35 HA TRP 35 -5.005 15.264 -4.396 56 HB2 TRP 35 2HB TRP 35 -6.903 16.908 -2.707 57 HB3 TRP 35 3HB TRP 35 -7.298 16.092 -4.217 58 HD1 TRP 35 HD1 TRP 35 -7.102 13.304 -4.112 59 HE1 TRP 35 HE1 TRP 35 -7.727 11.731 -2.173 60 HE3 TRP 35 HE3 TRP 35 -7.053 16.684 -0.276 61 HZ2 TRP 35 HZ2 TRP 35 -8.145 11.900 0.613 62 HZ3 TRP 35 HZ3 TRP 35 -7.577 15.897 1.995 63 HH2 TRP 35 HH2 TRP 35 -8.112 13.554 2.429 Start of MODEL 8 1 H1 GLN 27 H GLN 27 4.323 -0.241 -1.973 2 HA GLN 27 HA GLN 27 2.096 0.804 -3.304 3 HB2 GLN 27 2HB GLN 27 2.693 -0.248 -0.706 4 HB3 GLN 27 3HB GLN 27 1.721 1.206 -0.527 5 HG2 GLN 27 2HG GLN 27 -0.005 0.296 -1.919 6 HG3 GLN 27 3HG GLN 27 0.990 -1.107 -2.304 7 HE21 GLN 27 1HE2 GLN 27 -1.668 -0.893 -1.051 8 HE22 GLN 27 2HE2 GLN 27 -1.538 -1.729 0.455 9 H ASP 28 H ASP 28 1.931 2.811 -4.050 10 HA ASP 28 HA ASP 28 3.368 5.022 -3.031 11 HB2 ASP 28 2HB ASP 28 1.026 4.802 -4.919 12 HB3 ASP 28 3HB ASP 28 1.747 6.351 -4.490 13 H VAL 29 H VAL 29 2.989 5.368 -0.874 14 HA VAL 29 HA VAL 29 0.562 5.299 0.462 15 HB VAL 29 HB VAL 29 2.654 5.442 1.673 16 HG11 VAL 29 1HG1 VAL 29 4.155 6.770 0.605 17 HG12 VAL 29 2HG1 VAL 29 2.939 7.961 0.140 18 HG13 VAL 29 3HG1 VAL 29 3.570 7.940 1.787 19 HG21 VAL 29 1HG2 VAL 29 0.456 6.383 2.599 20 HG22 VAL 29 2HG2 VAL 29 1.951 6.818 3.428 21 HG23 VAL 29 3HG2 VAL 29 1.180 7.970 2.337 22 H ASN 30 H ASN 30 1.585 7.486 -1.909 23 HA ASN 30 HA ASN 30 -0.226 9.601 -1.009 24 HB2 ASN 30 2HB ASN 30 2.063 9.451 -2.899 25 HB3 ASN 30 3HB ASN 30 0.785 10.599 -3.286 26 HD21 ASN 30 1HD2 ASN 30 3.408 9.837 -1.205 27 HD22 ASN 30 2HD2 ASN 30 3.395 11.303 -0.291 28 H THR 31 H THR 31 -0.056 6.980 -3.204 29 HA THR 31 HA THR 31 -1.850 7.907 -5.189 30 HB THR 31 HB THR 31 -0.292 5.903 -5.365 31 HG1 THR 31 HG1 THR 31 -2.914 5.167 -6.097 32 HG21 THR 31 1HG2 THR 31 -1.799 5.003 -3.192 33 HG22 THR 31 2HG2 THR 31 -0.612 4.082 -4.115 34 HG23 THR 31 3HG2 THR 31 -2.318 4.012 -4.554 35 H ALA 32 H ALA 32 -2.363 7.200 -1.968 36 HA ALA 32 HA ALA 32 -5.245 6.830 -2.449 37 HB1 ALA 32 1HB ALA 32 -5.128 5.573 -0.161 38 HB2 ALA 32 2HB ALA 32 -4.732 4.732 -1.661 39 HB3 ALA 32 3HB ALA 32 -3.442 5.322 -0.613 40 H VAL 33 H VAL 33 -2.701 8.367 -0.683 41 HA VAL 33 HA VAL 33 -4.029 9.397 1.521 42 HB VAL 33 HB VAL 33 -1.549 9.613 0.893 43 HG11 VAL 33 1HG1 VAL 33 -0.815 11.399 -0.389 44 HG12 VAL 33 2HG1 VAL 33 -2.235 10.848 -1.279 45 HG13 VAL 33 3HG1 VAL 33 -2.341 12.268 -0.237 46 HG21 VAL 33 1HG2 VAL 33 -2.936 10.723 2.824 47 HG22 VAL 33 2HG2 VAL 33 -1.268 11.210 2.520 48 HG23 VAL 33 3HG2 VAL 33 -2.598 12.204 1.927 49 H ALA 34 H ALA 34 -5.001 11.438 1.931 50 HA ALA 34 HA ALA 34 -6.747 12.300 -0.192 51 HB1 ALA 34 1HB ALA 34 -6.522 12.810 2.724 52 HB2 ALA 34 2HB ALA 34 -7.371 14.003 1.740 53 HB3 ALA 34 3HB ALA 34 -7.919 12.327 1.761 54 H TRP 35 H TRP 35 -6.581 14.078 -1.423 55 HA TRP 35 HA TRP 35 -4.384 15.950 -0.826 56 HB2 TRP 35 2HB TRP 35 -4.775 14.372 -3.117 57 HB3 TRP 35 3HB TRP 35 -5.210 16.011 -3.594 58 HD1 TRP 35 HD1 TRP 35 -2.253 14.379 -1.656 59 HE1 TRP 35 HE1 TRP 35 -0.082 15.515 -2.442 60 HE3 TRP 35 HE3 TRP 35 -4.244 17.743 -4.951 61 HZ2 TRP 35 HZ2 TRP 35 0.686 17.567 -4.222 62 HZ3 TRP 35 HZ3 TRP 35 -2.722 19.257 -6.154 63 HH2 TRP 35 HH2 TRP 35 -0.309 19.169 -5.795 Start of MODEL 9 1 H1 GLN 27 H GLN 27 0.814 0.759 -4.123 2 HA GLN 27 HA GLN 27 -0.429 0.352 -1.525 3 HB2 GLN 27 2HB GLN 27 2.340 -0.726 -2.021 4 HB3 GLN 27 3HB GLN 27 1.331 -0.948 -0.598 5 HG2 GLN 27 2HG GLN 27 0.877 -2.935 -1.508 6 HG3 GLN 27 3HG GLN 27 -0.246 -2.024 -2.515 7 HE21 GLN 27 1HE2 GLN 27 0.094 -1.907 -4.658 8 HE22 GLN 27 2HE2 GLN 27 1.433 -2.627 -5.478 9 H ASP 28 H ASP 28 0.425 2.615 -3.231 10 HA ASP 28 HA ASP 28 2.682 3.766 -1.815 11 HB2 ASP 28 2HB ASP 28 0.950 4.731 -4.088 12 HB3 ASP 28 3HB ASP 28 2.162 5.757 -3.326 13 H VAL 29 H VAL 29 2.034 4.140 0.272 14 HA VAL 29 HA VAL 29 -0.406 5.121 1.149 15 HB VAL 29 HB VAL 29 1.221 4.234 2.708 16 HG11 VAL 29 1HG1 VAL 29 3.188 5.641 3.364 17 HG12 VAL 29 2HG1 VAL 29 3.283 4.947 1.745 18 HG13 VAL 29 3HG1 VAL 29 2.859 6.646 1.953 19 HG21 VAL 29 1HG2 VAL 29 -0.489 5.978 3.405 20 HG22 VAL 29 2HG2 VAL 29 0.874 5.730 4.496 21 HG23 VAL 29 3HG2 VAL 29 0.846 7.130 3.424 22 H ASN 30 H ASN 30 1.956 6.713 -0.677 23 HA ASN 30 HA ASN 30 1.102 9.374 0.189 24 HB2 ASN 30 2HB ASN 30 2.924 10.160 -1.354 25 HB3 ASN 30 3HB ASN 30 3.482 9.148 -0.025 26 HD21 ASN 30 1HD2 ASN 30 4.532 7.302 -0.459 27 HD22 ASN 30 2HD2 ASN 30 4.828 6.693 -2.048 28 H THR 31 H THR 31 0.582 7.075 -2.293 29 HA THR 31 HA THR 31 -0.149 8.815 -4.404 30 HB THR 31 HB THR 31 0.377 6.332 -4.593 31 HG1 THR 31 HG1 THR 31 -0.414 7.318 -6.406 32 HG21 THR 31 1HG2 THR 31 -1.804 6.113 -2.861 33 HG22 THR 31 2HG2 THR 31 -0.969 4.798 -3.688 34 HG23 THR 31 3HG2 THR 31 -2.394 5.535 -4.418 35 H ALA 32 H ALA 32 -1.604 8.263 -1.452 36 HA ALA 32 HA ALA 32 -4.178 9.270 -2.468 37 HB1 ALA 32 1HB ALA 32 -4.815 7.134 -1.908 38 HB2 ALA 32 2HB ALA 32 -3.658 7.019 -0.581 39 HB3 ALA 32 3HB ALA 32 -5.120 7.988 -0.395 40 H VAL 33 H VAL 33 -1.670 9.390 -0.090 41 HA VAL 33 HA VAL 33 -2.861 10.806 1.974 42 HB VAL 33 HB VAL 33 -0.466 9.893 1.823 43 HG11 VAL 33 1HG1 VAL 33 0.247 12.668 0.957 44 HG12 VAL 33 2HG1 VAL 33 1.237 11.207 0.956 45 HG13 VAL 33 3HG1 VAL 33 -0.048 11.405 -0.237 46 HG21 VAL 33 1HG2 VAL 33 -1.035 10.865 3.849 47 HG22 VAL 33 2HG2 VAL 33 0.352 11.830 3.342 48 HG23 VAL 33 3HG2 VAL 33 -1.283 12.458 3.132 49 H ALA 34 H ALA 34 -1.964 11.862 -1.207 50 HA ALA 34 HA ALA 34 -2.207 14.679 -0.540 51 HB1 ALA 34 1HB ALA 34 -0.505 14.097 -2.128 52 HB2 ALA 34 2HB ALA 34 -1.680 13.273 -3.154 53 HB3 ALA 34 3HB ALA 34 -1.754 15.024 -2.959 54 H TRP 35 H TRP 35 -3.891 15.995 -1.065 55 HA TRP 35 HA TRP 35 -6.010 16.629 -1.593 56 HB2 TRP 35 2HB TRP 35 -5.154 14.938 -3.759 57 HB3 TRP 35 3HB TRP 35 -6.878 14.716 -3.477 58 HD1 TRP 35 HD1 TRP 35 -4.448 17.036 -5.088 59 HE1 TRP 35 HE1 TRP 35 -5.673 19.110 -5.993 60 HE3 TRP 35 HE3 TRP 35 -8.976 16.364 -2.810 61 HZ2 TRP 35 HZ2 TRP 35 -8.221 20.304 -5.771 62 HZ3 TRP 35 HZ3 TRP 35 -10.753 18.018 -3.209 63 HH2 TRP 35 HH2 TRP 35 -10.382 19.947 -4.658 Start of MODEL 10 1 H1 GLN 27 H GLN 27 -0.819 0.081 0.485 2 HA GLN 27 HA GLN 27 0.824 -0.872 -0.851 3 HB2 GLN 27 2HB GLN 27 -0.882 -1.281 -2.612 4 HB3 GLN 27 3HB GLN 27 -0.634 0.359 -3.195 5 HG2 GLN 27 2HG GLN 27 1.521 -0.111 -3.958 6 HG3 GLN 27 3HG GLN 27 1.630 -1.591 -3.006 7 HE21 GLN 27 1HE2 GLN 27 1.467 -3.372 -4.143 8 HE22 GLN 27 2HE2 GLN 27 0.584 -3.572 -5.614 9 H ASP 28 H ASP 28 -0.323 2.402 -1.262 10 HA ASP 28 HA ASP 28 2.366 3.406 -0.930 11 HB2 ASP 28 2HB ASP 28 0.812 3.839 -3.479 12 HB3 ASP 28 3HB ASP 28 2.100 4.925 -2.965 13 H VAL 29 H VAL 29 1.694 4.414 0.928 14 HA VAL 29 HA VAL 29 -0.658 5.817 1.351 15 HB VAL 29 HB VAL 29 0.820 5.267 3.189 16 HG11 VAL 29 1HG1 VAL 29 2.810 7.155 3.260 17 HG12 VAL 29 2HG1 VAL 29 3.013 5.465 2.797 18 HG13 VAL 29 3HG1 VAL 29 2.770 6.697 1.558 19 HG21 VAL 29 1HG2 VAL 29 0.436 7.147 4.473 20 HG22 VAL 29 2HG2 VAL 29 0.836 8.256 3.161 21 HG23 VAL 29 3HG2 VAL 29 -0.697 7.384 3.142 22 H ASN 30 H ASN 30 1.911 6.608 -0.705 23 HA ASN 30 HA ASN 30 1.308 9.471 -0.667 24 HB2 ASN 30 2HB ASN 30 3.692 8.179 -0.900 25 HB3 ASN 30 3HB ASN 30 3.299 8.455 -2.595 26 HD21 ASN 30 1HD2 ASN 30 4.670 9.753 0.144 27 HD22 ASN 30 2HD2 ASN 30 4.733 11.409 -0.347 28 H THR 31 H THR 31 0.633 6.619 -2.435 29 HA THR 31 HA THR 31 0.150 7.747 -4.987 30 HB THR 31 HB THR 31 0.423 5.275 -4.444 31 HG1 THR 31 HG1 THR 31 -0.368 6.149 -6.486 32 HG21 THR 31 1HG2 THR 31 -1.101 4.189 -3.227 33 HG22 THR 31 2HG2 THR 31 -2.420 4.814 -4.217 34 HG23 THR 31 3HG2 THR 31 -1.821 5.754 -2.851 35 H ALA 32 H ALA 32 -1.445 8.187 -2.090 36 HA ALA 32 HA ALA 32 -3.868 9.094 -3.496 37 HB1 ALA 32 1HB ALA 32 -4.739 7.269 -2.401 38 HB2 ALA 32 2HB ALA 32 -3.643 7.433 -1.028 39 HB3 ALA 32 3HB ALA 32 -5.003 8.541 -1.208 40 H VAL 33 H VAL 33 -1.435 9.656 -1.104 41 HA VAL 33 HA VAL 33 -2.536 11.698 0.412 42 HB VAL 33 HB VAL 33 -0.242 10.571 0.657 43 HG11 VAL 33 1HG1 VAL 33 1.609 11.426 -0.445 44 HG12 VAL 33 2HG1 VAL 33 0.385 11.398 -1.717 45 HG13 VAL 33 3HG1 VAL 33 0.777 12.913 -0.902 46 HG21 VAL 33 1HG2 VAL 33 -0.267 13.558 1.024 47 HG22 VAL 33 2HG2 VAL 33 -1.187 12.453 2.046 48 HG23 VAL 33 3HG2 VAL 33 0.573 12.351 1.997 49 H ALA 34 H ALA 34 -2.645 13.920 0.225 50 HA ALA 34 HA ALA 34 -2.941 15.925 -0.812 51 HB1 ALA 34 1HB ALA 34 -0.482 15.709 -1.083 52 HB2 ALA 34 2HB ALA 34 -0.760 15.004 -2.676 53 HB3 ALA 34 3HB ALA 34 -1.253 16.665 -2.349 54 H TRP 35 H TRP 35 -4.549 13.678 -1.647 55 HA TRP 35 HA TRP 35 -6.095 13.123 -3.220 56 HB2 TRP 35 2HB TRP 35 -5.526 15.996 -3.847 57 HB3 TRP 35 3HB TRP 35 -6.563 15.066 -4.925 58 HD1 TRP 35 HD1 TRP 35 -9.031 14.726 -4.199 59 HE1 TRP 35 HE1 TRP 35 -10.416 15.411 -2.141 60 HE3 TRP 35 HE3 TRP 35 -5.243 16.353 -1.176 61 HZ2 TRP 35 HZ2 TRP 35 -9.963 16.497 0.425 62 HZ3 TRP 35 HZ3 TRP 35 -5.804 17.200 1.065 63 HH2 TRP 35 HH2 TRP 35 -8.116 17.270 1.847 Start of MODEL 11 1 H1 GLN 27 H GLN 27 -0.378 0.326 -0.280 2 HA GLN 27 HA GLN 27 2.444 -0.056 0.444 3 HB2 GLN 27 2HB GLN 27 0.958 -1.306 -1.493 4 HB3 GLN 27 3HB GLN 27 1.765 -0.041 -2.410 5 HG2 GLN 27 2HG GLN 27 3.124 -2.086 -0.670 6 HG3 GLN 27 3HG GLN 27 3.024 -2.128 -2.429 7 HE21 GLN 27 1HE2 GLN 27 3.883 -0.130 -3.522 8 HE22 GLN 27 2HE2 GLN 27 5.348 0.534 -2.891 9 H ASP 28 H ASP 28 0.622 1.734 -2.048 10 HA ASP 28 HA ASP 28 2.652 3.819 -2.020 11 HB2 ASP 28 2HB ASP 28 0.262 3.282 -3.779 12 HB3 ASP 28 3HB ASP 28 1.204 4.766 -3.898 13 H VAL 29 H VAL 29 2.372 4.949 -0.132 14 HA VAL 29 HA VAL 29 -0.010 5.692 1.072 15 HB VAL 29 HB VAL 29 2.107 5.956 2.217 16 HG11 VAL 29 1HG1 VAL 29 2.709 8.274 0.390 17 HG12 VAL 29 2HG1 VAL 29 3.755 7.567 1.623 18 HG13 VAL 29 3HG1 VAL 29 3.372 6.656 0.162 19 HG21 VAL 29 1HG2 VAL 29 1.644 7.943 3.357 20 HG22 VAL 29 2HG2 VAL 29 1.022 8.738 1.911 21 HG23 VAL 29 3HG2 VAL 29 0.084 7.463 2.689 22 H ASN 30 H ASN 30 1.260 6.744 -1.883 23 HA ASN 30 HA ASN 30 -0.214 9.271 -1.834 24 HB2 ASN 30 2HB ASN 30 1.579 8.160 -4.003 25 HB3 ASN 30 3HB ASN 30 0.935 9.796 -3.909 26 HD21 ASN 30 1HD2 ASN 30 3.706 8.615 -3.909 27 HD22 ASN 30 2HD2 ASN 30 4.482 9.352 -2.553 28 H THR 31 H THR 31 -0.464 6.051 -2.967 29 HA THR 31 HA THR 31 -2.152 6.465 -5.203 30 HB THR 31 HB THR 31 -0.896 4.329 -4.621 31 HG1 THR 31 HG1 THR 31 -2.174 3.645 -6.152 32 HG21 THR 31 1HG2 THR 31 -1.443 3.126 -2.822 33 HG22 THR 31 2HG2 THR 31 -3.151 3.144 -3.259 34 HG23 THR 31 3HG2 THR 31 -2.468 4.468 -2.317 35 H ALA 32 H ALA 32 -2.690 7.010 -1.955 36 HA ALA 32 HA ALA 32 -5.604 6.902 -2.361 37 HB1 ALA 32 1HB ALA 32 -5.617 6.523 0.224 38 HB2 ALA 32 2HB ALA 32 -5.375 5.163 -0.873 39 HB3 ALA 32 3HB ALA 32 -3.993 5.897 -0.060 40 H VAL 33 H VAL 33 -2.831 8.589 -1.169 41 HA VAL 33 HA VAL 33 -3.953 10.500 0.494 42 HB VAL 33 HB VAL 33 -1.482 10.133 -0.095 43 HG11 VAL 33 1HG1 VAL 33 -1.917 12.305 -2.107 44 HG12 VAL 33 2HG1 VAL 33 -0.529 11.235 -1.899 45 HG13 VAL 33 3HG1 VAL 33 -2.032 10.611 -2.580 46 HG21 VAL 33 1HG2 VAL 33 -2.586 12.930 0.145 47 HG22 VAL 33 2HG2 VAL 33 -2.229 11.828 1.475 48 HG23 VAL 33 3HG2 VAL 33 -0.919 12.460 0.477 49 H ALA 34 H ALA 34 -4.693 12.626 0.156 50 HA ALA 34 HA ALA 34 -6.385 12.939 -2.118 51 HB1 ALA 34 1HB ALA 34 -7.328 14.680 -0.999 52 HB2 ALA 34 2HB ALA 34 -6.556 13.865 0.362 53 HB3 ALA 34 3HB ALA 34 -5.784 15.266 -0.380 54 H TRP 35 H TRP 35 -3.313 14.355 -1.104 55 HA TRP 35 HA TRP 35 -3.124 15.661 -3.739 56 HB2 TRP 35 2HB TRP 35 -2.028 16.480 -1.053 57 HB3 TRP 35 3HB TRP 35 -1.406 17.148 -2.559 58 HD1 TRP 35 HD1 TRP 35 -3.542 18.225 -4.184 59 HE1 TRP 35 HE1 TRP 35 -5.401 19.810 -3.374 60 HE3 TRP 35 HE3 TRP 35 -3.337 17.225 0.826 61 HZ2 TRP 35 HZ2 TRP 35 -6.619 20.541 -0.934 62 HZ3 TRP 35 HZ3 TRP 35 -4.882 18.410 2.329 63 HH2 TRP 35 HH2 TRP 35 -6.488 20.034 1.466 Start of MODEL 12 1 H1 GLN 27 H GLN 27 0.772 -0.919 -4.344 2 HA GLN 27 HA GLN 27 -0.584 0.692 -3.190 3 HB2 GLN 27 2HB GLN 27 -0.280 0.051 -0.801 4 HB3 GLN 27 3HB GLN 27 -0.368 -1.323 -1.896 5 HG2 GLN 27 2HG GLN 27 2.327 -0.284 -1.278 6 HG3 GLN 27 3HG GLN 27 1.465 -1.101 0.025 7 HE21 GLN 27 1HE2 GLN 27 0.359 -3.196 -0.778 8 HE22 GLN 27 2HE2 GLN 27 1.366 -4.243 -1.713 9 H ASP 28 H ASP 28 0.836 2.539 -4.171 10 HA ASP 28 HA ASP 28 2.766 3.814 -2.562 11 HB2 ASP 28 2HB ASP 28 0.981 4.815 -4.778 12 HB3 ASP 28 3HB ASP 28 2.158 5.852 -3.976 13 H VAL 29 H VAL 29 2.117 4.064 -0.456 14 HA VAL 29 HA VAL 29 -0.353 4.904 0.478 15 HB VAL 29 HB VAL 29 1.318 4.010 1.985 16 HG11 VAL 29 1HG1 VAL 29 2.926 6.215 0.903 17 HG12 VAL 29 2HG1 VAL 29 3.078 5.968 2.644 18 HG13 VAL 29 3HG1 VAL 29 3.426 4.645 1.531 19 HG21 VAL 29 1HG2 VAL 29 0.848 6.850 2.848 20 HG22 VAL 29 2HG2 VAL 29 -0.457 5.666 2.762 21 HG23 VAL 29 3HG2 VAL 29 0.910 5.395 3.842 22 H ASN 30 H ASN 30 1.932 6.674 -1.282 23 HA ASN 30 HA ASN 30 0.978 9.254 -0.287 24 HB2 ASN 30 2HB ASN 30 3.170 8.608 -2.272 25 HB3 ASN 30 3HB ASN 30 2.771 10.219 -1.682 26 HD21 ASN 30 1HD2 ASN 30 5.299 9.160 -1.439 27 HD22 ASN 30 2HD2 ASN 30 5.640 8.876 0.231 28 H THR 31 H THR 31 0.534 7.056 -2.873 29 HA THR 31 HA THR 31 -0.280 8.862 -4.896 30 HB THR 31 HB THR 31 0.342 6.413 -5.204 31 HG1 THR 31 HG1 THR 31 -0.848 7.880 -6.744 32 HG21 THR 31 1HG2 THR 31 -0.936 4.787 -4.365 33 HG22 THR 31 2HG2 THR 31 -2.395 5.500 -5.054 34 HG23 THR 31 3HG2 THR 31 -1.816 6.027 -3.474 35 H ALA 32 H ALA 32 -1.692 8.114 -1.967 36 HA ALA 32 HA ALA 32 -4.310 9.067 -2.921 37 HB1 ALA 32 1HB ALA 32 -5.188 7.652 -0.907 38 HB2 ALA 32 2HB ALA 32 -4.860 6.882 -2.460 39 HB3 ALA 32 3HB ALA 32 -3.690 6.751 -1.146 40 H VAL 33 H VAL 33 -1.792 9.174 -0.554 41 HA VAL 33 HA VAL 33 -3.022 10.439 1.583 42 HB VAL 33 HB VAL 33 -0.593 9.635 1.373 43 HG11 VAL 33 1HG1 VAL 33 0.000 12.475 0.638 44 HG12 VAL 33 2HG1 VAL 33 1.047 11.056 0.556 45 HG13 VAL 33 3HG1 VAL 33 -0.257 11.261 -0.615 46 HG21 VAL 33 1HG2 VAL 33 -0.345 12.187 2.729 47 HG22 VAL 33 2HG2 VAL 33 -1.862 11.373 3.114 48 HG23 VAL 33 3HG2 VAL 33 -0.325 10.552 3.389 49 H ALA 34 H ALA 34 -3.455 12.554 2.129 50 HA ALA 34 HA ALA 34 -4.060 14.727 1.825 51 HB1 ALA 34 1HB ALA 34 -1.549 14.431 0.368 52 HB2 ALA 34 2HB ALA 34 -2.554 15.757 -0.218 53 HB3 ALA 34 3HB ALA 34 -2.076 15.696 1.478 54 H TRP 35 H TRP 35 -4.746 16.358 0.005 55 HA TRP 35 HA TRP 35 -6.239 16.848 -1.638 56 HB2 TRP 35 2HB TRP 35 -4.406 15.758 -3.010 57 HB3 TRP 35 3HB TRP 35 -5.362 14.279 -2.962 58 HD1 TRP 35 HD1 TRP 35 -6.592 13.980 -5.175 59 HE1 TRP 35 HE1 TRP 35 -7.804 15.517 -6.845 60 HE3 TRP 35 HE3 TRP 35 -5.777 18.475 -2.880 61 HZ2 TRP 35 HZ2 TRP 35 -8.343 18.271 -7.151 62 HZ3 TRP 35 HZ3 TRP 35 -6.674 20.513 -3.927 63 HH2 TRP 35 HH2 TRP 35 -7.930 20.411 -6.018 Start of MODEL 13 1 H1 GLN 27 H GLN 27 -0.654 1.219 -5.810 2 HA GLN 27 HA GLN 27 -0.468 0.881 -3.061 3 HB2 GLN 27 2HB GLN 27 0.478 -0.563 -4.985 4 HB3 GLN 27 3HB GLN 27 1.894 0.475 -4.875 5 HG2 GLN 27 2HG GLN 27 1.165 -0.433 -2.263 6 HG3 GLN 27 3HG GLN 27 1.297 -1.808 -3.358 7 HE21 GLN 27 1HE2 GLN 27 3.285 -2.062 -4.540 8 HE22 GLN 27 2HE2 GLN 27 4.765 -1.483 -3.862 9 H ASP 28 H ASP 28 -0.589 3.430 -2.865 10 HA ASP 28 HA ASP 28 1.998 4.224 -1.838 11 HB2 ASP 28 2HB ASP 28 0.648 5.694 -4.099 12 HB3 ASP 28 3HB ASP 28 1.821 6.470 -3.039 13 H VAL 29 H VAL 29 1.111 4.316 0.192 14 HA VAL 29 HA VAL 29 -1.347 5.361 0.932 15 HB VAL 29 HB VAL 29 -0.003 4.091 2.497 16 HG11 VAL 29 1HG1 VAL 29 2.215 4.680 2.003 17 HG12 VAL 29 2HG1 VAL 29 1.904 6.399 2.252 18 HG13 VAL 29 3HG1 VAL 29 1.935 5.299 3.630 19 HG21 VAL 29 1HG2 VAL 29 -0.534 5.266 4.442 20 HG22 VAL 29 2HG2 VAL 29 -0.213 6.832 3.698 21 HG23 VAL 29 3HG2 VAL 29 -1.651 5.918 3.244 22 H ASN 30 H ASN 30 1.340 7.004 -0.307 23 HA ASN 30 HA ASN 30 0.569 9.558 0.895 24 HB2 ASN 30 2HB ASN 30 2.627 10.409 -0.281 25 HB3 ASN 30 3HB ASN 30 2.933 9.165 0.928 26 HD21 ASN 30 1HD2 ASN 30 2.469 9.672 -2.532 27 HD22 ASN 30 2HD2 ASN 30 3.484 8.369 -3.040 28 H THR 31 H THR 31 0.217 7.744 -1.986 29 HA THR 31 HA THR 31 -0.109 9.859 -3.841 30 HB THR 31 HB THR 31 0.260 7.401 -4.387 31 HG1 THR 31 HG1 THR 31 -0.207 8.349 -6.227 32 HG21 THR 31 1HG2 THR 31 -1.297 5.871 -3.919 33 HG22 THR 31 2HG2 THR 31 -2.560 6.843 -4.675 34 HG23 THR 31 3HG2 THR 31 -2.137 7.107 -2.984 35 H ALA 32 H ALA 32 -1.971 8.975 -1.217 36 HA ALA 32 HA ALA 32 -4.313 10.365 -2.338 37 HB1 ALA 32 1HB ALA 32 -5.167 8.233 -2.231 38 HB2 ALA 32 2HB ALA 32 -4.205 7.801 -0.817 39 HB3 ALA 32 3HB ALA 32 -5.607 8.857 -0.641 40 H VAL 33 H VAL 33 -2.131 9.873 0.298 41 HA VAL 33 HA VAL 33 -3.477 11.037 2.423 42 HB VAL 33 HB VAL 33 -1.151 9.951 2.395 43 HG11 VAL 33 1HG1 VAL 33 0.735 11.228 1.964 44 HG12 VAL 33 2HG1 VAL 33 -0.371 11.736 0.685 45 HG13 VAL 33 3HG1 VAL 33 -0.139 12.753 2.108 46 HG21 VAL 33 1HG2 VAL 33 -0.592 12.082 4.149 47 HG22 VAL 33 2HG2 VAL 33 -2.346 11.897 4.119 48 HG23 VAL 33 3HG2 VAL 33 -1.322 10.523 4.535 49 H ALA 34 H ALA 34 -2.109 12.510 -0.404 50 HA ALA 34 HA ALA 34 -3.366 15.014 0.205 51 HB1 ALA 34 1HB ALA 34 -0.423 15.276 -0.197 52 HB2 ALA 34 2HB ALA 34 -1.559 16.386 0.572 53 HB3 ALA 34 3HB ALA 34 -1.047 14.923 1.414 54 H TRP 35 H TRP 35 -3.232 12.901 -1.888 55 HA TRP 35 HA TRP 35 -3.226 12.699 -4.156 56 HB2 TRP 35 2HB TRP 35 -3.707 15.675 -3.919 57 HB3 TRP 35 3HB TRP 35 -3.871 14.765 -5.418 58 HD1 TRP 35 HD1 TRP 35 -5.363 14.617 -1.829 59 HE1 TRP 35 HE1 TRP 35 -7.836 13.934 -2.034 60 HE3 TRP 35 HE3 TRP 35 -5.608 13.969 -6.894 61 HZ2 TRP 35 HZ2 TRP 35 -9.650 13.216 -4.074 62 HZ3 TRP 35 HZ3 TRP 35 -7.749 13.283 -7.893 63 HH2 TRP 35 HH2 TRP 35 -9.727 12.914 -6.510 Start of MODEL 14 1 H1 GLN 27 H GLN 27 2.337 -0.515 -1.425 2 HA GLN 27 HA GLN 27 1.693 0.850 -3.956 3 HB2 GLN 27 2HB GLN 27 -0.030 0.214 -1.588 4 HB3 GLN 27 3HB GLN 27 -0.388 1.624 -2.576 5 HG2 GLN 27 2HG GLN 27 -0.131 -0.226 -4.502 6 HG3 GLN 27 3HG GLN 27 -0.697 -1.241 -3.176 7 HE21 GLN 27 1HE2 GLN 27 -2.792 -1.191 -2.620 8 HE22 GLN 27 2HE2 GLN 27 -3.976 -0.159 -3.339 9 H ASP 28 H ASP 28 1.602 3.113 -3.929 10 HA ASP 28 HA ASP 28 3.447 4.359 -2.150 11 HB2 ASP 28 2HB ASP 28 1.623 5.424 -4.304 12 HB3 ASP 28 3HB ASP 28 2.662 6.475 -3.345 13 H VAL 29 H VAL 29 2.722 4.294 -0.056 14 HA VAL 29 HA VAL 29 0.153 4.762 0.874 15 HB VAL 29 HB VAL 29 1.871 3.874 2.332 16 HG11 VAL 29 1HG1 VAL 29 3.695 5.204 3.180 17 HG12 VAL 29 2HG1 VAL 29 3.745 5.207 1.416 18 HG13 VAL 29 3HG1 VAL 29 3.130 6.614 2.284 19 HG21 VAL 29 1HG2 VAL 29 1.093 6.528 3.503 20 HG22 VAL 29 2HG2 VAL 29 -0.091 5.252 3.218 21 HG23 VAL 29 3HG2 VAL 29 1.261 4.971 4.315 22 H ASN 30 H ASN 30 2.282 6.949 -0.587 23 HA ASN 30 HA ASN 30 1.036 9.285 0.659 24 HB2 ASN 30 2HB ASN 30 3.592 8.984 0.178 25 HB3 ASN 30 3HB ASN 30 3.150 9.452 -1.462 26 HD21 ASN 30 1HD2 ASN 30 2.217 11.519 -1.800 27 HD22 ASN 30 2HD2 ASN 30 2.502 12.807 -0.684 28 H THR 31 H THR 31 0.892 7.370 -2.175 29 HA THR 31 HA THR 31 -0.057 9.308 -4.009 30 HB THR 31 HB THR 31 0.829 6.988 -4.569 31 HG1 THR 31 HG1 THR 31 -0.563 8.524 -5.932 32 HG21 THR 31 1HG2 THR 31 -1.798 5.788 -4.627 33 HG22 THR 31 2HG2 THR 31 -1.320 6.183 -2.976 34 HG23 THR 31 3HG2 THR 31 -0.291 5.153 -3.970 35 H ALA 32 H ALA 32 -1.455 8.082 -1.238 36 HA ALA 32 HA ALA 32 -4.135 8.866 -2.175 37 HB1 ALA 32 1HB ALA 32 -4.908 7.143 -0.369 38 HB2 ALA 32 2HB ALA 32 -4.461 6.598 -1.986 39 HB3 ALA 32 3HB ALA 32 -3.318 6.435 -0.653 40 H VAL 33 H VAL 33 -1.703 8.954 0.281 41 HA VAL 33 HA VAL 33 -3.115 9.829 2.500 42 HB VAL 33 HB VAL 33 -0.610 9.306 2.291 43 HG11 VAL 33 1HG1 VAL 33 -0.394 11.177 0.515 44 HG12 VAL 33 2HG1 VAL 33 -0.299 12.258 1.907 45 HG13 VAL 33 3HG1 VAL 33 0.891 10.972 1.705 46 HG21 VAL 33 1HG2 VAL 33 -0.102 11.054 4.130 47 HG22 VAL 33 2HG2 VAL 33 -1.802 11.489 3.960 48 HG23 VAL 33 3HG2 VAL 33 -1.354 9.848 4.424 49 H ALA 34 H ALA 34 -2.344 11.507 -0.438 50 HA ALA 34 HA ALA 34 -3.256 14.053 0.704 51 HB1 ALA 34 1HB ALA 34 -2.250 13.916 -2.080 52 HB2 ALA 34 2HB ALA 34 -2.008 15.151 -0.844 53 HB3 ALA 34 3HB ALA 34 -1.087 13.649 -0.781 54 H TRP 35 H TRP 35 -4.216 15.344 -1.479 55 HA TRP 35 HA TRP 35 -6.153 15.699 -2.620 56 HB2 TRP 35 2HB TRP 35 -5.298 12.965 -3.378 57 HB3 TRP 35 3HB TRP 35 -6.959 13.397 -3.772 58 HD1 TRP 35 HD1 TRP 35 -3.582 13.578 -5.170 59 HE1 TRP 35 HE1 TRP 35 -3.486 15.219 -7.151 60 HE3 TRP 35 HE3 TRP 35 -8.054 15.954 -4.472 61 HZ2 TRP 35 HZ2 TRP 35 -5.094 17.251 -8.269 62 HZ3 TRP 35 HZ3 TRP 35 -8.701 17.735 -6.041 63 HH2 TRP 35 HH2 TRP 35 -7.250 18.369 -7.899 Start of MODEL 15 1 H1 GLN 27 H GLN 27 3.077 -0.105 -3.833 2 HA GLN 27 HA GLN 27 1.118 0.805 -1.980 3 HB2 GLN 27 2HB GLN 27 4.051 0.247 -1.873 4 HB3 GLN 27 3HB GLN 27 3.316 1.163 -0.564 5 HG2 GLN 27 2HG GLN 27 3.199 -0.986 0.232 6 HG3 GLN 27 3HG GLN 27 1.608 -0.784 -0.501 7 HE21 GLN 27 1HE2 GLN 27 4.130 -2.838 -0.201 8 HE22 GLN 27 2HE2 GLN 27 3.919 -3.783 -1.632 9 H ASP 28 H ASP 28 0.672 2.694 -3.580 10 HA ASP 28 HA ASP 28 2.464 4.945 -3.330 11 HB2 ASP 28 2HB ASP 28 -0.230 4.573 -4.634 12 HB3 ASP 28 3HB ASP 28 0.569 6.141 -4.553 13 H VAL 29 H VAL 29 2.559 5.543 -1.197 14 HA VAL 29 HA VAL 29 0.477 5.691 0.626 15 HB VAL 29 HB VAL 29 2.781 5.915 1.336 16 HG11 VAL 29 1HG1 VAL 29 3.924 7.070 -0.305 17 HG12 VAL 29 2HG1 VAL 29 2.713 8.350 -0.396 18 HG13 VAL 29 3HG1 VAL 29 3.817 8.275 0.978 19 HG21 VAL 29 1HG2 VAL 29 0.856 6.992 2.615 20 HG22 VAL 29 2HG2 VAL 29 2.487 7.530 3.016 21 HG23 VAL 29 3HG2 VAL 29 1.456 8.530 1.993 22 H ASN 30 H ASN 30 0.968 7.566 -2.147 23 HA ASN 30 HA ASN 30 -0.604 9.816 -1.134 24 HB2 ASN 30 2HB ASN 30 -0.069 10.850 -3.352 25 HB3 ASN 30 3HB ASN 30 1.351 10.460 -2.385 26 HD21 ASN 30 1HD2 ASN 30 -0.479 9.715 -5.223 27 HD22 ASN 30 2HD2 ASN 30 0.692 8.679 -5.960 28 H THR 31 H THR 31 -0.915 6.959 -2.993 29 HA THR 31 HA THR 31 -3.093 7.702 -4.643 30 HB THR 31 HB THR 31 -1.611 5.650 -4.913 31 HG1 THR 31 HG1 THR 31 -3.927 6.125 -5.788 32 HG21 THR 31 1HG2 THR 31 -3.419 3.916 -3.473 33 HG22 THR 31 2HG2 THR 31 -2.616 5.043 -2.379 34 HG23 THR 31 3HG2 THR 31 -1.658 3.992 -3.421 35 H ALA 32 H ALA 32 -2.901 7.379 -1.327 36 HA ALA 32 HA ALA 32 -5.819 7.032 -1.134 37 HB1 ALA 32 1HB ALA 32 -5.149 5.025 -0.235 38 HB2 ALA 32 2HB ALA 32 -3.663 5.697 0.438 39 HB3 ALA 32 3HB ALA 32 -5.213 6.040 1.206 40 H VAL 33 H VAL 33 -2.952 8.693 -0.143 41 HA VAL 33 HA VAL 33 -3.777 10.002 2.157 42 HB VAL 33 HB VAL 33 -1.487 10.077 0.997 43 HG11 VAL 33 1HG1 VAL 33 -2.615 11.073 -1.109 44 HG12 VAL 33 2HG1 VAL 33 -2.499 12.606 -0.243 45 HG13 VAL 33 3HG1 VAL 33 -1.039 11.686 -0.610 46 HG21 VAL 33 1HG2 VAL 33 -2.436 12.744 1.998 47 HG22 VAL 33 2HG2 VAL 33 -2.277 11.351 3.067 48 HG23 VAL 33 3HG2 VAL 33 -0.863 11.979 2.221 49 H ALA 34 H ALA 34 -4.736 10.500 -1.140 50 HA ALA 34 HA ALA 34 -6.310 11.834 -2.101 51 HB1 ALA 34 1HB ALA 34 -7.216 11.394 0.582 52 HB2 ALA 34 2HB ALA 34 -7.668 13.016 0.053 53 HB3 ALA 34 3HB ALA 34 -8.158 11.611 -0.894 54 H TRP 35 H TRP 35 -4.962 13.372 -2.978 55 HA TRP 35 HA TRP 35 -4.356 15.735 -1.344 56 HB2 TRP 35 2HB TRP 35 -2.477 14.571 -2.517 57 HB3 TRP 35 3HB TRP 35 -3.232 14.993 -4.052 58 HD1 TRP 35 HD1 TRP 35 -2.907 17.444 -4.939 59 HE1 TRP 35 HE1 TRP 35 -1.468 19.431 -4.162 60 HE3 TRP 35 HE3 TRP 35 -1.550 15.708 -0.326 61 HZ2 TRP 35 HZ2 TRP 35 0.043 20.166 -1.894 62 HZ3 TRP 35 HZ3 TRP 35 -0.105 17.114 1.085 63 HH2 TRP 35 HH2 TRP 35 0.674 19.296 0.315 Start of MODEL 16 1 H1 GLN 27 H GLN 27 2.431 -0.860 -1.260 2 HA GLN 27 HA GLN 27 1.126 0.749 -3.269 3 HB2 GLN 27 2HB GLN 27 0.473 -0.175 -0.511 4 HB3 GLN 27 3HB GLN 27 -0.362 1.245 -1.127 5 HG2 GLN 27 2HG GLN 27 -1.561 0.062 -2.633 6 HG3 GLN 27 3HG GLN 27 -0.274 -1.113 -2.901 7 HE21 GLN 27 1HE2 GLN 27 -2.183 -2.565 -2.808 8 HE22 GLN 27 2HE2 GLN 27 -2.654 -3.174 -1.262 9 H ASP 28 H ASP 28 1.831 2.729 -3.691 10 HA ASP 28 HA ASP 28 3.473 4.252 -1.981 11 HB2 ASP 28 2HB ASP 28 1.868 4.973 -4.432 12 HB3 ASP 28 3HB ASP 28 2.876 6.144 -3.586 13 H VAL 29 H VAL 29 2.581 4.573 0.024 14 HA VAL 29 HA VAL 29 -0.033 5.265 0.634 15 HB VAL 29 HB VAL 29 0.770 6.065 2.767 16 HG11 VAL 29 1HG1 VAL 29 1.983 4.124 3.515 17 HG12 VAL 29 2HG1 VAL 29 0.798 3.628 2.305 18 HG13 VAL 29 3HG1 VAL 29 2.501 3.766 1.868 19 HG21 VAL 29 1HG2 VAL 29 3.374 6.033 3.028 20 HG22 VAL 29 2HG2 VAL 29 3.349 6.349 1.293 21 HG23 VAL 29 3HG2 VAL 29 2.559 7.467 2.404 22 H ASN 30 H ASN 30 2.289 7.102 -0.998 23 HA ASN 30 HA ASN 30 1.049 9.654 -0.280 24 HB2 ASN 30 2HB ASN 30 3.487 9.068 -1.976 25 HB3 ASN 30 3HB ASN 30 2.909 10.674 -1.542 26 HD21 ASN 30 1HD2 ASN 30 5.188 8.517 -0.848 27 HD22 ASN 30 2HD2 ASN 30 5.471 8.872 0.819 28 H THR 31 H THR 31 1.051 7.278 -2.743 29 HA THR 31 HA THR 31 0.333 8.893 -4.957 30 HB THR 31 HB THR 31 1.164 6.488 -5.035 31 HG1 THR 31 HG1 THR 31 0.388 7.458 -6.912 32 HG21 THR 31 1HG2 THR 31 -0.075 4.814 -4.232 33 HG22 THR 31 2HG2 THR 31 -1.500 5.370 -5.110 34 HG23 THR 31 3HG2 THR 31 -1.132 6.030 -3.516 35 H ALA 32 H ALA 32 -1.331 8.210 -2.148 36 HA ALA 32 HA ALA 32 -3.893 8.886 -3.433 37 HB1 ALA 32 1HB ALA 32 -4.876 7.532 -1.426 38 HB2 ALA 32 2HB ALA 32 -4.326 6.697 -2.879 39 HB3 ALA 32 3HB ALA 32 -3.299 6.742 -1.447 40 H VAL 33 H VAL 33 -1.670 9.331 -0.819 41 HA VAL 33 HA VAL 33 -3.220 10.631 1.075 42 HB VAL 33 HB VAL 33 -0.734 10.000 1.191 43 HG11 VAL 33 1HG1 VAL 33 -0.259 12.826 0.327 44 HG12 VAL 33 2HG1 VAL 33 0.889 11.493 0.469 45 HG13 VAL 33 3HG1 VAL 33 -0.277 11.517 -0.855 46 HG21 VAL 33 1HG2 VAL 33 -0.526 11.249 3.088 47 HG22 VAL 33 2HG2 VAL 33 -1.111 12.723 2.317 48 HG23 VAL 33 3HG2 VAL 33 -2.252 11.466 2.796 49 H ALA 34 H ALA 34 -3.584 12.852 1.526 50 HA ALA 34 HA ALA 34 -4.301 14.949 1.006 51 HB1 ALA 34 1HB ALA 34 -1.835 14.645 -0.638 52 HB2 ALA 34 2HB ALA 34 -2.850 16.069 -0.870 53 HB3 ALA 34 3HB ALA 34 -2.162 15.725 0.717 54 H TRP 35 H TRP 35 -6.019 13.245 0.026 55 HA TRP 35 HA TRP 35 -7.485 12.705 -1.652 56 HB2 TRP 35 2HB TRP 35 -8.659 14.574 -2.478 57 HB3 TRP 35 3HB TRP 35 -7.993 15.115 -0.940 58 HD1 TRP 35 HD1 TRP 35 -6.419 17.184 -0.981 59 HE1 TRP 35 HE1 TRP 35 -5.536 18.736 -2.835 60 HE3 TRP 35 HE3 TRP 35 -7.907 14.495 -5.066 61 HZ2 TRP 35 HZ2 TRP 35 -5.478 18.810 -5.656 62 HZ3 TRP 35 HZ3 TRP 35 -7.399 15.376 -7.307 63 HH2 TRP 35 HH2 TRP 35 -6.210 17.489 -7.594 Start of MODEL 17 1 H1 GLN 27 H GLN 27 0.640 -0.035 1.035 2 HA GLN 27 HA GLN 27 2.484 1.207 -0.141 3 HB2 GLN 27 2HB GLN 27 0.912 -0.819 -1.108 4 HB3 GLN 27 3HB GLN 27 0.761 0.393 -2.374 5 HG2 GLN 27 2HG GLN 27 3.420 -0.492 -1.302 6 HG3 GLN 27 3HG GLN 27 2.607 -1.316 -2.632 7 HE21 GLN 27 1HE2 GLN 27 4.549 1.307 -1.704 8 HE22 GLN 27 2HE2 GLN 27 4.644 2.090 -3.241 9 H ASP 28 H ASP 28 2.975 2.736 -1.789 10 HA ASP 28 HA ASP 28 2.826 4.890 -2.558 11 HB2 ASP 28 2HB ASP 28 0.203 3.787 -3.589 12 HB3 ASP 28 3HB ASP 28 1.035 5.209 -4.213 13 H VAL 29 H VAL 29 2.665 5.924 -0.515 14 HA VAL 29 HA VAL 29 0.353 6.353 0.957 15 HB VAL 29 HB VAL 29 1.457 8.247 1.970 16 HG11 VAL 29 1HG1 VAL 29 3.527 6.160 1.298 17 HG12 VAL 29 2HG1 VAL 29 3.483 7.195 2.727 18 HG13 VAL 29 3HG1 VAL 29 2.251 5.954 2.498 19 HG21 VAL 29 1HG2 VAL 29 2.387 9.593 0.385 20 HG22 VAL 29 2HG2 VAL 29 3.839 8.737 0.904 21 HG23 VAL 29 3HG2 VAL 29 3.000 8.240 -0.566 22 H ASN 30 H ASN 30 1.082 7.465 -2.142 23 HA ASN 30 HA ASN 30 -0.678 9.792 -1.943 24 HB2 ASN 30 2HB ASN 30 0.038 10.114 -4.373 25 HB3 ASN 30 3HB ASN 30 1.294 10.297 -3.152 26 HD21 ASN 30 1HD2 ASN 30 -0.152 7.865 -5.280 27 HD22 ASN 30 2HD2 ASN 30 1.326 7.042 -5.629 28 H THR 31 H THR 31 -0.674 6.524 -2.969 29 HA THR 31 HA THR 31 -2.682 6.637 -4.956 30 HB THR 31 HB THR 31 -1.100 4.687 -4.431 31 HG1 THR 31 HG1 THR 31 -2.409 3.615 -5.707 32 HG21 THR 31 1HG2 THR 31 -1.459 3.322 -2.668 33 HG22 THR 31 2HG2 THR 31 -3.212 3.476 -2.777 34 HG23 THR 31 3HG2 THR 31 -2.264 4.732 -1.981 35 H ALA 32 H ALA 32 -2.848 7.242 -1.671 36 HA ALA 32 HA ALA 32 -5.761 6.812 -1.687 37 HB1 ALA 32 1HB ALA 32 -3.766 6.056 0.399 38 HB2 ALA 32 2HB ALA 32 -5.401 6.509 0.882 39 HB3 ALA 32 3HB ALA 32 -5.151 5.152 -0.216 40 H VAL 33 H VAL 33 -3.071 8.838 -0.965 41 HA VAL 33 HA VAL 33 -4.127 10.663 0.832 42 HB VAL 33 HB VAL 33 -1.761 10.568 -0.157 43 HG11 VAL 33 1HG1 VAL 33 -2.759 12.614 -2.094 44 HG12 VAL 33 2HG1 VAL 33 -1.260 11.684 -2.119 45 HG13 VAL 33 3HG1 VAL 33 -2.790 10.904 -2.522 46 HG21 VAL 33 1HG2 VAL 33 -1.478 13.057 0.159 47 HG22 VAL 33 2HG2 VAL 33 -3.230 13.147 0.345 48 HG23 VAL 33 3HG2 VAL 33 -2.270 12.201 1.482 49 H ALA 34 H ALA 34 -5.238 12.613 0.627 50 HA ALA 34 HA ALA 34 -6.484 13.167 -1.974 51 HB1 ALA 34 1HB ALA 34 -8.086 11.851 -0.689 52 HB2 ALA 34 2HB ALA 34 -7.982 13.008 0.639 53 HB3 ALA 34 3HB ALA 34 -8.658 13.504 -0.913 54 H TRP 35 H TRP 35 -4.907 14.886 -2.030 55 HA TRP 35 HA TRP 35 -5.048 16.979 -0.049 56 HB2 TRP 35 2HB TRP 35 -3.526 16.657 -2.631 57 HB3 TRP 35 3HB TRP 35 -3.493 18.157 -1.709 58 HD1 TRP 35 HD1 TRP 35 -3.447 16.513 1.180 59 HE1 TRP 35 HE1 TRP 35 -1.179 15.550 1.926 60 HE3 TRP 35 HE3 TRP 35 -1.063 16.455 -3.342 61 HZ2 TRP 35 HZ2 TRP 35 1.293 14.858 0.752 62 HZ3 TRP 35 HZ3 TRP 35 1.253 15.628 -3.444 63 HH2 TRP 35 HH2 TRP 35 2.404 14.847 -1.438 Start of MODEL 18 1 H1 GLN 27 H GLN 27 2.321 -0.693 -2.797 2 HA GLN 27 HA GLN 27 -0.157 0.282 -3.346 3 HB2 GLN 27 2HB GLN 27 -0.546 0.441 -0.963 4 HB3 GLN 27 3HB GLN 27 0.453 -0.967 -1.297 5 HG2 GLN 27 2HG GLN 27 1.617 1.668 -0.458 6 HG3 GLN 27 3HG GLN 27 1.090 0.448 0.700 7 HE21 GLN 27 1HE2 GLN 27 3.741 1.475 0.326 8 HE22 GLN 27 2HE2 GLN 27 4.743 0.140 -0.117 9 H ASP 28 H ASP 28 2.696 2.115 -2.645 10 HA ASP 28 HA ASP 28 3.081 4.355 -2.347 11 HB2 ASP 28 2HB ASP 28 0.926 4.476 -4.469 12 HB3 ASP 28 3HB ASP 28 2.081 5.755 -4.105 13 H VAL 29 H VAL 29 2.284 4.509 -0.199 14 HA VAL 29 HA VAL 29 -0.348 4.918 0.576 15 HB VAL 29 HB VAL 29 0.499 5.901 2.613 16 HG11 VAL 29 1HG1 VAL 29 1.494 4.019 3.386 17 HG12 VAL 29 2HG1 VAL 29 1.021 3.403 1.801 18 HG13 VAL 29 3HG1 VAL 29 2.670 3.969 2.072 19 HG21 VAL 29 1HG2 VAL 29 3.299 5.926 2.205 20 HG22 VAL 29 2HG2 VAL 29 2.565 6.865 0.905 21 HG23 VAL 29 3HG2 VAL 29 2.237 7.282 2.587 22 H ASN 30 H ASN 30 1.599 6.921 -1.314 23 HA ASN 30 HA ASN 30 0.157 9.358 -0.581 24 HB2 ASN 30 2HB ASN 30 1.755 10.423 -2.242 25 HB3 ASN 30 3HB ASN 30 2.496 9.726 -0.804 26 HD21 ASN 30 1HD2 ASN 30 4.409 8.997 -1.402 27 HD22 ASN 30 2HD2 ASN 30 4.723 7.981 -2.765 28 H THR 31 H THR 31 0.185 6.877 -2.942 29 HA THR 31 HA THR 31 -0.913 8.282 -5.135 30 HB THR 31 HB THR 31 0.137 5.941 -5.137 31 HG1 THR 31 HG1 THR 31 -2.329 6.007 -6.517 32 HG21 THR 31 1HG2 THR 31 -0.999 4.142 -4.383 33 HG22 THR 31 2HG2 THR 31 -2.558 4.780 -4.904 34 HG23 THR 31 3HG2 THR 31 -1.843 5.327 -3.388 35 H ALA 32 H ALA 32 -2.223 7.572 -2.141 36 HA ALA 32 HA ALA 32 -4.949 7.964 -3.184 37 HB1 ALA 32 1HB ALA 32 -3.969 5.956 -1.207 38 HB2 ALA 32 2HB ALA 32 -5.606 6.596 -1.058 39 HB3 ALA 32 3HB ALA 32 -5.116 5.764 -2.534 40 H VAL 33 H VAL 33 -2.517 8.761 -0.878 41 HA VAL 33 HA VAL 33 -3.961 9.943 1.170 42 HB VAL 33 HB VAL 33 -1.421 9.626 0.969 43 HG11 VAL 33 1HG1 VAL 33 -1.452 11.118 -1.160 44 HG12 VAL 33 2HG1 VAL 33 -1.396 12.451 -0.006 45 HG13 VAL 33 3HG1 VAL 33 -0.108 11.246 -0.025 46 HG21 VAL 33 1HG2 VAL 33 -2.016 12.328 2.059 47 HG22 VAL 33 2HG2 VAL 33 -2.879 10.946 2.733 48 HG23 VAL 33 3HG2 VAL 33 -1.117 10.992 2.778 49 H ALA 34 H ALA 34 -4.338 12.223 1.626 50 HA ALA 34 HA ALA 34 -5.715 13.505 -0.518 51 HB1 ALA 34 1HB ALA 34 -6.327 13.572 1.943 52 HB2 ALA 34 2HB ALA 34 -5.043 14.767 2.125 53 HB3 ALA 34 3HB ALA 34 -6.414 15.100 1.067 54 H TRP 35 H TRP 35 -4.190 13.969 -2.115 55 HA TRP 35 HA TRP 35 -2.613 15.176 -3.225 56 HB2 TRP 35 2HB TRP 35 -3.089 17.277 -1.105 57 HB3 TRP 35 3HB TRP 35 -2.500 17.530 -2.746 58 HD1 TRP 35 HD1 TRP 35 -5.662 17.294 -0.741 59 HE1 TRP 35 HE1 TRP 35 -7.696 17.596 -2.290 60 HE3 TRP 35 HE3 TRP 35 -3.297 16.963 -5.262 61 HZ2 TRP 35 HZ2 TRP 35 -8.227 17.683 -5.061 62 HZ3 TRP 35 HZ3 TRP 35 -4.640 17.165 -7.313 63 HH2 TRP 35 HH2 TRP 35 -7.054 17.517 -7.213 Start of MODEL 19 1 H1 GLN 27 H GLN 27 -0.361 -0.491 -0.563 2 HA GLN 27 HA GLN 27 2.397 0.254 -0.429 3 HB2 GLN 27 2HB GLN 27 2.292 0.096 -2.917 4 HB3 GLN 27 3HB GLN 27 1.722 -1.347 -2.089 5 HG2 GLN 27 2HG GLN 27 -0.357 -1.142 -2.890 6 HG3 GLN 27 3HG GLN 27 -0.368 0.610 -2.700 7 HE21 GLN 27 1HE2 GLN 27 1.804 -1.489 -4.539 8 HE22 GLN 27 2HE2 GLN 27 1.479 -0.774 -6.077 9 H ASP 28 H ASP 28 3.395 2.108 -1.194 10 HA ASP 28 HA ASP 28 3.599 4.389 -1.281 11 HB2 ASP 28 2HB ASP 28 1.419 3.982 -3.341 12 HB3 ASP 28 3HB ASP 28 2.469 5.392 -3.222 13 H VAL 29 H VAL 29 2.815 4.839 0.830 14 HA VAL 29 HA VAL 29 0.167 5.163 1.589 15 HB VAL 29 HB VAL 29 0.952 6.537 3.413 16 HG11 VAL 29 1HG1 VAL 29 1.739 4.684 4.346 17 HG12 VAL 29 2HG1 VAL 29 2.016 3.996 2.744 18 HG13 VAL 29 3HG1 VAL 29 3.289 4.923 3.539 19 HG21 VAL 29 1HG2 VAL 29 3.631 6.882 3.225 20 HG22 VAL 29 2HG2 VAL 29 3.150 7.108 1.543 21 HG23 VAL 29 3HG2 VAL 29 2.442 8.114 2.806 22 H ASN 30 H ASN 30 1.924 6.968 -0.653 23 HA ASN 30 HA ASN 30 0.295 9.371 -0.302 24 HB2 ASN 30 2HB ASN 30 1.819 10.487 -1.732 25 HB3 ASN 30 3HB ASN 30 2.813 9.460 -0.703 26 HD21 ASN 30 1HD2 ASN 30 1.611 10.012 -3.901 27 HD22 ASN 30 2HD2 ASN 30 2.641 8.884 -4.707 28 H THR 31 H THR 31 0.501 6.540 -2.217 29 HA THR 31 HA THR 31 -0.733 7.467 -4.586 30 HB THR 31 HB THR 31 0.505 5.249 -4.224 31 HG1 THR 31 HG1 THR 31 -2.009 5.188 -5.570 32 HG21 THR 31 1HG2 THR 31 -2.083 3.934 -3.736 33 HG22 THR 31 2HG2 THR 31 -1.399 4.782 -2.349 34 HG23 THR 31 3HG2 THR 31 -0.472 3.517 -3.155 35 H ALA 32 H ALA 32 -1.947 7.168 -1.485 36 HA ALA 32 HA ALA 32 -4.707 7.164 -2.511 37 HB1 ALA 32 1HB ALA 32 -5.228 6.125 -0.172 38 HB2 ALA 32 2HB ALA 32 -4.688 5.097 -1.500 39 HB3 ALA 32 3HB ALA 32 -3.546 5.598 -0.252 40 H VAL 33 H VAL 33 -2.324 8.525 -0.430 41 HA VAL 33 HA VAL 33 -3.838 9.917 1.427 42 HB VAL 33 HB VAL 33 -1.283 9.770 1.220 43 HG11 VAL 33 1HG1 VAL 33 -1.458 10.877 -1.125 44 HG12 VAL 33 2HG1 VAL 33 -1.498 12.386 -0.211 45 HG13 VAL 33 3HG1 VAL 33 -0.117 11.299 -0.061 46 HG21 VAL 33 1HG2 VAL 33 -2.370 12.496 1.886 47 HG22 VAL 33 2HG2 VAL 33 -2.623 11.084 2.912 48 HG23 VAL 33 3HG2 VAL 33 -0.988 11.671 2.605 49 H ALA 34 H ALA 34 -4.380 12.213 1.505 50 HA ALA 34 HA ALA 34 -5.916 13.000 -0.756 51 HB1 ALA 34 1HB ALA 34 -6.901 13.756 1.155 52 HB2 ALA 34 2HB ALA 34 -5.362 14.124 1.937 53 HB3 ALA 34 3HB ALA 34 -6.005 15.206 0.702 54 H TRP 35 H TRP 35 -5.102 13.837 -2.554 55 HA TRP 35 HA TRP 35 -3.755 14.962 -4.006 56 HB2 TRP 35 2HB TRP 35 -4.136 16.792 -1.696 57 HB3 TRP 35 3HB TRP 35 -2.885 17.226 -2.858 58 HD1 TRP 35 HD1 TRP 35 -6.139 15.551 -3.991 59 HE1 TRP 35 HE1 TRP 35 -7.461 17.222 -5.434 60 HE3 TRP 35 HE3 TRP 35 -3.244 19.704 -3.281 61 HZ2 TRP 35 HZ2 TRP 35 -7.299 19.941 -6.174 62 HZ3 TRP 35 HZ3 TRP 35 -3.897 21.800 -4.393 63 HH2 TRP 35 HH2 TRP 35 -5.882 21.914 -5.810 Start of MODEL 20 1 H1 GLN 27 H GLN 27 1.343 -0.006 0.611 2 HA GLN 27 HA GLN 27 2.409 0.704 -1.274 3 HB2 GLN 27 2HB GLN 27 0.258 -0.864 -2.022 4 HB3 GLN 27 3HB GLN 27 0.081 0.565 -3.032 5 HG2 GLN 27 2HG GLN 27 2.513 -1.198 -2.841 6 HG3 GLN 27 3HG GLN 27 1.363 -1.131 -4.176 7 HE21 GLN 27 1HE2 GLN 27 4.027 0.411 -2.606 8 HE22 GLN 27 2HE2 GLN 27 4.333 1.596 -3.825 9 H ASP 28 H ASP 28 2.927 2.590 -2.247 10 HA ASP 28 HA ASP 28 2.908 4.870 -2.487 11 HB2 ASP 28 2HB ASP 28 0.205 4.200 -3.670 12 HB3 ASP 28 3HB ASP 28 1.119 5.676 -3.968 13 H VAL 29 H VAL 29 2.843 5.402 -0.254 14 HA VAL 29 HA VAL 29 0.584 5.610 1.343 15 HB VAL 29 HB VAL 29 1.823 7.142 2.740 16 HG11 VAL 29 1HG1 VAL 29 3.922 5.312 1.637 17 HG12 VAL 29 2HG1 VAL 29 3.588 5.745 3.315 18 HG13 VAL 29 3HG1 VAL 29 2.496 4.665 2.448 19 HG21 VAL 29 1HG2 VAL 29 2.976 7.953 0.260 20 HG22 VAL 29 2HG2 VAL 29 3.115 8.713 1.845 21 HG23 VAL 29 3HG2 VAL 29 4.267 7.469 1.360 22 H ASN 30 H ASN 30 1.341 7.375 -1.429 23 HA ASN 30 HA ASN 30 -0.261 9.691 -0.641 24 HB2 ASN 30 2HB ASN 30 0.648 10.833 -2.474 25 HB3 ASN 30 3HB ASN 30 1.985 9.835 -1.912 26 HD21 ASN 30 1HD2 ASN 30 -0.254 10.453 -4.447 27 HD22 ASN 30 2HD2 ASN 30 0.394 9.329 -5.588 28 H THR 31 H THR 31 -0.484 6.762 -2.402 29 HA THR 31 HA THR 31 -2.508 7.460 -4.249 30 HB THR 31 HB THR 31 -1.049 5.350 -4.241 31 HG1 THR 31 HG1 THR 31 -3.801 4.797 -4.623 32 HG21 THR 31 1HG2 THR 31 -1.471 3.632 -2.837 33 HG22 THR 31 2HG2 THR 31 -3.212 3.912 -2.855 34 HG23 THR 31 3HG2 THR 31 -2.173 4.886 -1.816 35 H ALA 32 H ALA 32 -2.588 7.283 -0.910 36 HA ALA 32 HA ALA 32 -5.523 7.044 -0.942 37 HB1 ALA 32 1HB ALA 32 -5.003 5.051 0.081 38 HB2 ALA 32 2HB ALA 32 -3.553 5.697 0.849 39 HB3 ALA 32 3HB ALA 32 -5.146 6.123 1.474 40 H VAL 33 H VAL 33 -2.697 8.679 0.155 41 HA VAL 33 HA VAL 33 -3.607 10.089 2.360 42 HB VAL 33 HB VAL 33 -1.266 10.088 1.308 43 HG11 VAL 33 1HG1 VAL 33 -0.720 11.601 -0.351 44 HG12 VAL 33 2HG1 VAL 33 -2.304 11.033 -0.882 45 HG13 VAL 33 3HG1 VAL 33 -2.153 12.589 -0.066 46 HG21 VAL 33 1HG2 VAL 33 -0.712 11.766 2.714 47 HG22 VAL 33 2HG2 VAL 33 -1.898 12.877 2.030 48 HG23 VAL 33 3HG2 VAL 33 -2.407 11.645 3.185 49 H ALA 34 H ALA 34 -4.403 10.475 -0.995 50 HA ALA 34 HA ALA 34 -5.920 11.784 -2.074 51 HB1 ALA 34 1HB ALA 34 -6.928 11.516 0.607 52 HB2 ALA 34 2HB ALA 34 -7.355 13.092 -0.063 53 HB3 ALA 34 3HB ALA 34 -7.809 11.618 -0.918 54 H TRP 35 H TRP 35 -6.569 14.069 -2.445 55 HA TRP 35 HA TRP 35 -4.834 16.038 -1.156 56 HB2 TRP 35 2HB TRP 35 -3.879 15.016 -3.387 57 HB3 TRP 35 3HB TRP 35 -5.039 16.107 -4.141 58 HD1 TRP 35 HD1 TRP 35 -4.593 18.503 -1.957 59 HE1 TRP 35 HE1 TRP 35 -2.455 19.921 -2.159 60 HE3 TRP 35 HE3 TRP 35 -1.732 15.270 -4.694 61 HZ2 TRP 35 HZ2 TRP 35 0.106 19.698 -3.325 62 HZ3 TRP 35 HZ3 TRP 35 0.551 15.949 -5.312 63 HH2 TRP 35 HH2 TRP 35 1.449 18.118 -4.641
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