NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
2984 | 1d0w | 5214 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HN AYA 24 H ALA 24 2.455 -1.284 2.269 2 HA AYA 24 HA ALA 24 3.668 -1.829 -0.344 3 1HB AYA 24 1HB ALA 24 4.341 0.207 1.838 4 2HB AYA 24 2HB ALA 24 3.317 0.497 0.440 5 3HB AYA 24 3HB ALA 24 5.032 0.225 0.239 6 1HM AYA 24 1HA ALA 24 0.884 -4.129 2.695 7 2HM AYA 24 2HA ALA 24 -0.131 -3.213 1.582 8 3HM AYA 24 3HA ALA 24 0.673 -2.390 2.915 9 H ARG 25 H ARG 25 3.920 -3.936 1.401 10 HA ARG 25 HA ARG 25 6.047 -4.417 3.001 11 1HB ARG 25 2HB ARG 25 4.475 -6.178 2.284 12 2HB ARG 25 1HB ARG 25 5.180 -6.220 0.676 13 1HG ARG 25 2HG ARG 25 7.346 -7.010 1.593 14 2HG ARG 25 1HG ARG 25 6.771 -6.804 3.230 15 1HD ARG 25 2HD ARG 25 5.636 -8.766 1.191 16 2HD ARG 25 1HD ARG 25 6.665 -9.224 2.517 17 HE ARG 25 HE ARG 25 3.862 -8.239 2.652 18 1HH1 ARG 25 1HH2 ARG 25 6.676 -9.274 4.364 19 2HH1 ARG 25 2HH2 ARG 25 5.857 -9.629 5.823 20 1HH2 ARG 25 2HH1 ARG 25 2.727 -8.641 4.526 21 2HH2 ARG 25 1HH1 ARG 25 3.528 -9.219 5.919 22 H HIS 26 H HIS 26 6.425 -4.742 -0.507 23 HA HIS 26 HA HIS 26 9.374 -4.389 -0.133 24 1HB HIS 26 2HB HIS 26 9.513 -5.542 -2.384 25 2HB HIS 26 1HB HIS 26 8.734 -6.546 -1.171 26 HD1 HIS 26 HD1 HIS 26 7.652 -4.046 -3.795 27 HD2 HIS 26 HD2 HIS 26 6.401 -7.551 -1.940 28 HE1 HIS 26 HE1 HIS 26 5.491 -4.820 -4.849 29 H TYR 27 H TYR 27 7.912 -2.186 0.060 30 HA TYR 27 HA TYR 27 8.674 -0.689 -2.403 31 1HB TYR 27 2HB TYR 27 5.986 -0.921 -1.142 32 2HB TYR 27 1HB TYR 27 6.439 0.718 -1.605 33 HD1 TYR 27 HD1 TYR 27 7.506 0.916 -4.003 34 HD2 TYR 27 HD2 TYR 27 5.012 -2.317 -2.777 35 HE1 TYR 27 HE1 TYR 27 7.003 0.414 -6.338 36 HE2 TYR 27 HE2 TYR 27 4.510 -2.800 -5.129 37 HH TYR 27 HH TYR 27 5.095 -0.727 -7.607 38 H LYS 28 H LYS 28 7.301 0.025 0.750 39 HA LYS 28 HA LYS 28 8.456 2.542 1.110 40 1HB LYS 28 2HB LYS 28 6.739 1.495 2.632 41 2HB LYS 28 1HB LYS 28 7.946 0.384 3.248 42 1HG LYS 28 2HG LYS 28 8.578 3.332 3.417 43 2HG LYS 28 1HG LYS 28 7.330 2.726 4.475 44 1HD LYS 28 2HD LYS 28 8.755 1.409 5.699 45 2HD LYS 28 1HD LYS 28 9.807 1.082 4.348 46 1HE LYS 28 2HE LYS 28 9.557 3.812 5.732 47 2HE LYS 28 1HE LYS 28 10.815 2.659 6.130 48 HZ LYS 28 HZ LYS 28 10.493 3.587 3.310 49 H ASN 29 H ASN 29 9.947 -0.458 2.229 50 HA ASN 29 HA ASN 29 12.410 1.018 2.824 51 1HB ASN 29 2HB ASN 29 11.665 -1.917 3.049 52 2HB ASN 29 1HB ASN 29 13.340 -1.456 3.174 53 1HD2 ASN 29 1HD2 ASN 29 11.593 1.163 4.612 54 2HD2 ASN 29 2HD2 ASN 29 11.672 0.538 6.171 55 H LEU 30 H LEU 30 11.491 0.736 -0.054 56 HA LEU 30 HA LEU 30 13.985 -0.479 -1.209 57 1HB LEU 30 2HB LEU 30 12.336 -1.334 -2.614 58 2HB LEU 30 1HB LEU 30 11.141 -0.184 -2.120 59 HG LEU 30 HG LEU 30 12.128 1.517 -3.648 60 1HD1 LEU 30 1HD1 LEU 30 13.806 0.789 -5.344 61 2HD1 LEU 30 2HD1 LEU 30 13.909 -0.794 -4.588 62 3HD1 LEU 30 3HD1 LEU 30 14.485 0.633 -3.742 63 1HD2 LEU 30 1HD2 LEU 30 11.402 -1.125 -4.943 64 2HD2 LEU 30 2HD2 LEU 30 11.381 0.442 -5.738 65 3HD2 LEU 30 3HD2 LEU 30 10.287 0.124 -4.404 66 H LEU 31 H LEU 31 11.874 2.385 -1.559 67 HA LEU 31 HA LEU 31 13.910 3.991 -2.819 68 1HB LEU 31 2HB LEU 31 12.486 5.939 -2.049 69 2HB LEU 31 1HB LEU 31 11.585 4.707 -2.892 70 HG LEU 31 HG LEU 31 11.335 3.811 -0.288 71 1HD1 LEU 31 1HD1 LEU 31 12.491 5.913 0.582 72 2HD1 LEU 31 2HD1 LEU 31 10.816 5.823 1.122 73 3HD1 LEU 31 3HD1 LEU 31 11.259 6.880 -0.202 74 1HD2 LEU 31 1HD2 LEU 31 9.054 4.746 -0.363 75 2HD2 LEU 31 2HD2 LEU 31 9.508 4.036 -1.898 76 3HD2 LEU 31 3HD2 LEU 31 9.511 5.785 -1.709 77 H GLU 32 H GLU 32 13.530 2.803 0.266 78 HA GLU 32 HA GLU 32 15.471 4.680 1.538 79 1HB GLU 32 2HB GLU 32 13.959 2.356 2.813 80 2HB GLU 32 1HB GLU 32 14.844 3.579 3.660 81 1HG GLU 32 2HG GLU 32 13.120 5.299 3.073 82 2HG GLU 32 1HG GLU 32 12.232 4.099 2.145 83 H ARG 33 H ARG 33 16.174 2.552 -0.536 84 HA ARG 33 HA ARG 33 17.788 0.702 1.175 85 1HB ARG 33 2HB ARG 33 17.985 -0.749 -0.797 86 2HB ARG 33 1HB ARG 33 16.333 -0.273 -0.594 87 1HG ARG 33 2HG ARG 33 16.301 0.229 -2.758 88 2HG ARG 33 1HG ARG 33 17.181 1.672 -2.394 89 1HD ARG 33 2HD ARG 33 18.345 0.582 -4.208 90 2HD ARG 33 1HD ARG 33 19.339 0.293 -2.798 91 HE ARG 33 HE ARG 33 17.293 -1.671 -3.804 92 1HH1 ARG 33 1HH2 ARG 33 20.523 -1.058 -2.740 93 2HH1 ARG 33 2HH2 ARG 33 20.981 -2.702 -2.717 94 1HH2 ARG 33 2HH1 ARG 33 17.838 -3.819 -3.858 95 2HH2 ARG 33 1HH1 ARG 33 19.406 -4.310 -3.392 96 H GLN 34 H GLN 34 18.248 2.941 -1.510 97 HA GLN 34 HA GLN 34 20.940 2.739 -2.060 98 1HB GLN 34 2HB GLN 34 19.466 5.401 -1.692 99 2HB GLN 34 1HB GLN 34 20.932 5.153 -2.613 100 1HG GLN 34 2HG GLN 34 18.191 3.972 -3.325 101 2HG GLN 34 1HG GLN 34 19.008 5.289 -4.136 102 1HE2 GLN 34 1HE2 GLN 34 20.294 4.684 -5.932 103 2HE2 GLN 34 2HE2 GLN 34 20.795 3.085 -6.213 104 H ARG 35 H ARG 35 19.609 4.458 0.712 105 HA ARG 35 HA ARG 35 22.356 4.710 1.798 106 1HB ARG 35 2HB ARG 35 19.908 6.407 2.495 107 2HB ARG 35 1HB ARG 35 21.543 6.668 3.057 108 1HG ARG 35 2HG ARG 35 22.290 7.013 0.659 109 2HG ARG 35 1HG ARG 35 20.637 6.802 0.140 110 1HD ARG 35 2HD ARG 35 21.197 9.236 0.312 111 2HD ARG 35 1HD ARG 35 19.913 8.752 1.422 112 HE ARG 35 HE ARG 35 22.731 8.755 2.375 113 1HH1 ARG 35 1HH2 ARG 35 19.587 10.241 2.498 114 2HH1 ARG 35 2HH2 ARG 35 19.896 11.086 3.947 115 1HH2 ARG 35 2HH1 ARG 35 23.170 9.844 4.244 116 2HH2 ARG 35 1HH1 ARG 35 22.026 10.908 4.946 117 H TYR 36 H TYR 36 21.241 2.298 2.139 118 HA TYR 36 HA TYR 36 19.851 2.229 4.766 119 1HB TYR 36 2HB TYR 36 19.494 0.643 2.645 120 2HB TYR 36 1HB TYR 36 20.876 -0.216 3.285 121 HD1 TYR 36 HD1 TYR 36 17.482 1.043 4.197 122 HD2 TYR 36 HD2 TYR 36 20.558 -1.751 5.113 123 HE1 TYR 36 HE1 TYR 36 15.983 -0.078 5.746 124 HE2 TYR 36 HE2 TYR 36 19.039 -2.887 6.680 125 HH TYR 36 HH TYR 36 15.664 -2.168 6.817 126 1HT TYR 36 1HT TYR 36 22.065 3.429 5.353 127 2HT TYR 36 2HT TYR 36 23.268 2.408 6.021 Start of MODEL 2 1 HN AYA 24 H ALA 24 1.297 -3.191 0.360 2 HA AYA 24 HA ALA 24 3.884 -2.396 -0.775 3 1HB AYA 24 1HB ALA 24 2.166 -1.041 1.369 4 2HB AYA 24 2HB ALA 24 2.068 -0.697 -0.353 5 3HB AYA 24 3HB ALA 24 3.530 -0.306 0.545 6 1HM AYA 24 1HA ALA 24 0.310 -5.030 -0.269 7 2HM AYA 24 2HA ALA 24 1.407 -6.413 -0.286 8 3HM AYA 24 3HA ALA 24 0.951 -5.627 -1.798 9 H ARG 25 H ARG 25 4.725 -4.467 0.211 10 HA ARG 25 HA ARG 25 5.509 -4.182 3.075 11 1HB ARG 25 2HB ARG 25 5.945 -6.474 1.084 12 2HB ARG 25 1HB ARG 25 6.455 -6.507 2.760 13 1HG ARG 25 2HG ARG 25 4.039 -6.141 3.451 14 2HG ARG 25 1HG ARG 25 3.571 -6.268 1.764 15 1HD ARG 25 2HD ARG 25 4.452 -8.553 1.636 16 2HD ARG 25 1HD ARG 25 5.068 -8.484 3.281 17 HE ARG 25 HE ARG 25 2.618 -8.061 3.947 18 1HH1 ARG 25 1HH2 ARG 25 3.520 -10.071 1.260 19 2HH1 ARG 25 2HH2 ARG 25 2.099 -11.007 1.309 20 1HH2 ARG 25 2HH1 ARG 25 0.777 -9.268 4.057 21 2HH2 ARG 25 1HH1 ARG 25 0.492 -10.561 2.973 22 H HIS 26 H HIS 26 7.101 -4.548 -0.092 23 HA HIS 26 HA HIS 26 9.598 -3.445 1.166 24 1HB HIS 26 2HB HIS 26 9.690 -5.866 0.386 25 2HB HIS 26 1HB HIS 26 9.403 -5.297 -1.256 26 HD1 HIS 26 HD1 HIS 26 11.194 -3.347 -1.951 27 HD2 HIS 26 HD2 HIS 26 12.275 -6.038 1.018 28 HE1 HIS 26 HE1 HIS 26 13.706 -3.348 -1.715 29 H TYR 27 H TYR 27 8.156 -1.500 0.620 30 HA TYR 27 HA TYR 27 8.838 -0.496 -2.139 31 1HB TYR 27 2HB TYR 27 6.292 -0.789 -1.391 32 2HB TYR 27 1HB TYR 27 6.566 0.644 -0.423 33 HD1 TYR 27 HD1 TYR 27 7.002 -0.634 -3.913 34 HD2 TYR 27 HD2 TYR 27 6.296 2.782 -1.456 35 HE1 TYR 27 HE1 TYR 27 6.635 0.730 -5.907 36 HE2 TYR 27 HE2 TYR 27 5.929 4.137 -3.475 37 HH TYR 27 HH TYR 27 5.233 3.001 -6.370 38 H LYS 28 H LYS 28 7.986 0.680 1.066 39 HA LYS 28 HA LYS 28 9.423 3.108 1.018 40 1HB LYS 28 2HB LYS 28 7.773 2.328 2.875 41 2HB LYS 28 1HB LYS 28 9.062 1.325 3.503 42 1HG LYS 28 2HG LYS 28 9.221 3.335 4.748 43 2HG LYS 28 1HG LYS 28 10.497 3.502 3.558 44 1HD LYS 28 2HD LYS 28 8.640 4.721 2.108 45 2HD LYS 28 1HD LYS 28 7.770 4.815 3.622 46 1HE LYS 28 2HE LYS 28 9.080 6.843 3.353 47 2HE LYS 28 1HE LYS 28 9.824 5.904 4.643 48 HZ LYS 28 HZ LYS 28 10.787 5.789 1.809 49 H ASN 29 H ASN 29 10.308 -0.065 2.146 50 HA ASN 29 HA ASN 29 13.028 0.599 2.747 51 1HB ASN 29 2HB ASN 29 11.773 -2.158 2.198 52 2HB ASN 29 1HB ASN 29 13.354 -1.919 2.912 53 1HD2 ASN 29 1HD2 ASN 29 11.473 0.552 4.233 54 2HD2 ASN 29 2HD2 ASN 29 10.973 -0.293 5.624 55 H LEU 30 H LEU 30 11.712 0.512 -0.085 56 HA LEU 30 HA LEU 30 14.114 -0.473 -1.534 57 1HB LEU 30 2HB LEU 30 12.332 -1.497 -2.601 58 2HB LEU 30 1HB LEU 30 11.164 -0.292 -2.168 59 HG LEU 30 HG LEU 30 12.156 1.234 -3.784 60 1HD1 LEU 30 1HD1 LEU 30 13.769 0.288 -5.520 61 2HD1 LEU 30 2HD1 LEU 30 13.834 -1.214 -4.619 62 3HD1 LEU 30 3HD1 LEU 30 14.492 0.263 -3.928 63 1HD2 LEU 30 1HD2 LEU 30 11.319 -1.460 -4.923 64 2HD2 LEU 30 2HD2 LEU 30 11.339 0.047 -5.832 65 3HD2 LEU 30 3HD2 LEU 30 10.256 -0.131 -4.455 66 H LEU 31 H LEU 31 11.696 2.142 -1.709 67 HA LEU 31 HA LEU 31 13.260 4.061 -3.070 68 1HB LEU 31 2HB LEU 31 11.136 4.471 -0.899 69 2HB LEU 31 1HB LEU 31 11.771 5.788 -1.869 70 HG LEU 31 HG LEU 31 10.354 3.327 -3.028 71 1HD1 LEU 31 1HD1 LEU 31 9.361 6.193 -2.643 72 2HD1 LEU 31 2HD1 LEU 31 8.804 4.796 -1.735 73 3HD1 LEU 31 3HD1 LEU 31 8.476 4.910 -3.454 74 1HD2 LEU 31 1HD2 LEU 31 11.186 5.974 -4.350 75 2HD2 LEU 31 2HD2 LEU 31 10.320 4.666 -5.126 76 3HD2 LEU 31 3HD2 LEU 31 11.974 4.432 -4.637 77 H GLU 32 H GLU 32 13.089 3.307 0.290 78 HA GLU 32 HA GLU 32 15.334 5.184 0.910 79 1HB GLU 32 2HB GLU 32 13.339 3.704 2.703 80 2HB GLU 32 1HB GLU 32 14.674 4.644 3.324 81 1HG GLU 32 2HG GLU 32 13.821 6.692 2.477 82 2HG GLU 32 1HG GLU 32 12.756 5.901 1.329 83 H ARG 33 H ARG 33 15.783 2.773 -0.584 84 HA ARG 33 HA ARG 33 17.234 1.039 1.377 85 1HB ARG 33 2HB ARG 33 17.078 -0.686 -0.157 86 2HB ARG 33 1HB ARG 33 15.658 0.231 -0.521 87 1HG ARG 33 2HG ARG 33 16.234 -0.066 -2.661 88 2HG ARG 33 1HG ARG 33 17.098 1.414 -2.392 89 1HD ARG 33 2HD ARG 33 18.604 -0.162 -3.457 90 2HD ARG 33 1HD ARG 33 19.178 -0.081 -1.794 91 HE ARG 33 HE ARG 33 17.581 -2.080 -1.406 92 1HH1 ARG 33 1HH2 ARG 33 19.293 -1.553 -4.370 93 2HH1 ARG 33 2HH2 ARG 33 19.295 -3.199 -4.842 94 1HH2 ARG 33 2HH1 ARG 33 17.559 -4.219 -1.938 95 2HH2 ARG 33 1HH1 ARG 33 18.283 -4.789 -3.385 96 H GLN 34 H GLN 34 17.583 3.419 -0.932 97 HA GLN 34 HA GLN 34 20.011 3.303 -2.172 98 1HB GLN 34 2HB GLN 34 18.987 5.696 -0.564 99 2HB GLN 34 1HB GLN 34 20.214 5.789 -1.809 100 1HG GLN 34 2HG GLN 34 18.622 5.065 -3.541 101 2HG GLN 34 1HG GLN 34 17.364 4.794 -2.341 102 1HE2 GLN 34 1HE2 GLN 34 15.937 6.510 -2.178 103 2HE2 GLN 34 2HE2 GLN 34 16.348 8.126 -2.533 104 H ARG 35 H ARG 35 19.544 3.804 1.231 105 HA ARG 35 HA ARG 35 22.453 3.807 1.710 106 1HB ARG 35 2HB ARG 35 20.120 4.487 3.547 107 2HB ARG 35 1HB ARG 35 21.803 4.625 3.983 108 1HG ARG 35 2HG ARG 35 20.508 6.135 1.647 109 2HG ARG 35 1HG ARG 35 20.740 6.832 3.226 110 1HD ARG 35 2HD ARG 35 22.924 5.875 1.327 111 2HD ARG 35 1HD ARG 35 22.592 7.550 1.756 112 HE ARG 35 HE ARG 35 23.047 6.751 4.182 113 1HH1 ARG 35 1HH2 ARG 35 24.746 5.568 1.396 114 2HH1 ARG 35 2HH2 ARG 35 26.155 5.145 2.259 115 1HH2 ARG 35 2HH1 ARG 35 24.847 6.228 5.341 116 2HH2 ARG 35 1HH1 ARG 35 26.224 5.556 4.582 117 H TYR 36 H TYR 36 21.686 1.472 0.926 118 HA TYR 36 HA TYR 36 21.398 -0.280 3.347 119 1HB TYR 36 2HB TYR 36 20.629 -0.640 0.439 120 2HB TYR 36 1HB TYR 36 21.312 -2.041 1.221 121 HD1 TYR 36 HD1 TYR 36 19.369 -3.370 1.098 122 HD2 TYR 36 HD2 TYR 36 19.126 0.406 3.063 123 HE1 TYR 36 HE1 TYR 36 17.193 -3.995 2.029 124 HE2 TYR 36 HE2 TYR 36 16.948 -0.237 3.993 125 HH TYR 36 HH TYR 36 15.861 -3.187 4.290 126 1HT TYR 36 1HT TYR 36 23.349 0.019 0.305 127 2HT TYR 36 2HT TYR 36 24.707 -0.742 0.995 Start of MODEL 3 1 HN AYA 24 H ALA 24 3.143 -1.537 1.085 2 HA AYA 24 HA ALA 24 5.337 -0.130 1.159 3 1HB AYA 24 1HB ALA 24 5.362 -0.123 3.653 4 2HB AYA 24 2HB ALA 24 4.365 -1.566 3.672 5 3HB AYA 24 3HB ALA 24 3.724 -0.065 3.029 6 1HM AYA 24 1HA ALA 24 3.199 -3.393 -1.568 7 2HM AYA 24 2HA ALA 24 2.196 -2.974 -0.177 8 3HM AYA 24 3HA ALA 24 3.063 -4.515 -0.213 9 H ARG 25 H ARG 25 5.366 -3.237 2.570 10 HA ARG 25 HA ARG 25 7.814 -3.777 3.558 11 1HB ARG 25 2HB ARG 25 5.863 -5.468 3.107 12 2HB ARG 25 1HB ARG 25 6.609 -5.762 1.550 13 1HG ARG 25 2HG ARG 25 8.787 -6.350 2.791 14 2HG ARG 25 1HG ARG 25 7.930 -6.121 4.283 15 1HD ARG 25 2HD ARG 25 8.029 -8.526 3.811 16 2HD ARG 25 1HD ARG 25 6.362 -7.946 3.699 17 HE ARG 25 HE ARG 25 7.795 -7.927 1.150 18 1HH1 ARG 25 1HH2 ARG 25 5.884 -9.840 3.316 19 2HH1 ARG 25 2HH2 ARG 25 5.293 -10.907 2.115 20 1HH2 ARG 25 2HH1 ARG 25 7.090 -9.257 -0.449 21 2HH2 ARG 25 1HH1 ARG 25 6.026 -10.564 -0.134 22 H HIS 26 H HIS 26 7.151 -4.065 0.091 23 HA HIS 26 HA HIS 26 10.096 -3.789 -0.453 24 1HB HIS 26 2HB HIS 26 7.954 -5.152 -2.155 25 2HB HIS 26 1HB HIS 26 9.646 -5.044 -2.568 26 HD1 HIS 26 HD1 HIS 26 8.740 -7.741 -2.537 27 HD2 HIS 26 HD2 HIS 26 9.895 -5.909 0.999 28 HE1 HIS 26 HE1 HIS 26 9.336 -9.515 -0.851 29 H TYR 27 H TYR 27 8.342 -1.619 -0.094 30 HA TYR 27 HA TYR 27 8.580 -0.271 -2.762 31 1HB TYR 27 2HB TYR 27 6.182 -0.949 -2.233 32 2HB TYR 27 1HB TYR 27 6.227 0.062 -0.813 33 HD1 TYR 27 HD1 TYR 27 7.007 0.369 -4.482 34 HD2 TYR 27 HD2 TYR 27 5.263 2.192 -1.049 35 HE1 TYR 27 HE1 TYR 27 6.272 2.271 -5.852 36 HE2 TYR 27 HE2 TYR 27 4.534 4.080 -2.422 37 HH TYR 27 HH TYR 27 5.109 5.170 -4.514 38 H LYS 28 H LYS 28 7.755 0.349 0.570 39 HA LYS 28 HA LYS 28 8.997 2.963 0.727 40 1HB LYS 28 2HB LYS 28 7.022 1.797 2.122 41 2HB LYS 28 1HB LYS 28 8.312 1.135 3.094 42 1HG LYS 28 2HG LYS 28 7.792 4.094 2.636 43 2HG LYS 28 1HG LYS 28 7.319 3.204 4.058 44 1HD LYS 28 2HD LYS 28 9.309 3.569 4.977 45 2HD LYS 28 1HD LYS 28 10.106 2.664 3.719 46 1HE LYS 28 2HE LYS 28 9.870 4.892 2.316 47 2HE LYS 28 1HE LYS 28 9.571 5.648 3.885 48 HZ LYS 28 HZ LYS 28 11.743 4.516 4.601 49 H ASN 29 H ASN 29 9.755 -0.264 1.873 50 HA ASN 29 HA ASN 29 12.448 0.508 2.683 51 1HB ASN 29 2HB ASN 29 11.366 -2.329 2.313 52 2HB ASN 29 1HB ASN 29 12.793 -1.871 3.223 53 1HD2 ASN 29 1HD2 ASN 29 9.551 -2.525 3.558 54 2HD2 ASN 29 2HD2 ASN 29 9.290 -1.795 5.081 55 H LEU 30 H LEU 30 11.335 0.435 -0.178 56 HA LEU 30 HA LEU 30 13.656 -0.898 -1.499 57 1HB LEU 30 2HB LEU 30 11.729 -1.558 -2.789 58 2HB LEU 30 1HB LEU 30 10.806 -0.159 -2.337 59 HG LEU 30 HG LEU 30 12.196 1.251 -3.755 60 1HD1 LEU 30 1HD1 LEU 30 14.312 -0.096 -3.779 61 2HD1 LEU 30 2HD1 LEU 30 13.771 0.168 -5.427 62 3HD1 LEU 30 3HD1 LEU 30 13.496 -1.386 -4.655 63 1HD2 LEU 30 1HD2 LEU 30 10.955 -1.112 -5.214 64 2HD2 LEU 30 2HD2 LEU 30 11.367 0.424 -5.968 65 3HD2 LEU 30 3HD2 LEU 30 10.153 0.362 -4.705 66 H LEU 31 H LEU 31 11.580 2.015 -1.572 67 HA LEU 31 HA LEU 31 13.389 3.845 -2.640 68 1HB LEU 31 2HB LEU 31 11.300 4.204 -0.445 69 2HB LEU 31 1HB LEU 31 12.182 5.572 -1.072 70 HG LEU 31 HG LEU 31 10.488 3.703 -2.817 71 1HD1 LEU 31 1HD1 LEU 31 9.871 6.510 -1.751 72 2HD1 LEU 31 2HD1 LEU 31 9.097 5.030 -1.207 73 3HD1 LEU 31 3HD1 LEU 31 8.851 5.593 -2.846 74 1HD2 LEU 31 1HD2 LEU 31 12.325 4.939 -4.051 75 2HD2 LEU 31 2HD2 LEU 31 11.735 6.452 -3.393 76 3HD2 LEU 31 3HD2 LEU 31 10.744 5.528 -4.506 77 H GLU 32 H GLU 32 13.113 2.805 0.699 78 HA GLU 32 HA GLU 32 15.498 4.416 1.412 79 1HB GLU 32 2HB GLU 32 13.510 2.744 2.977 80 2HB GLU 32 1HB GLU 32 15.022 3.138 3.749 81 1HG GLU 32 2HG GLU 32 13.727 4.990 4.387 82 2HG GLU 32 1HG GLU 32 14.361 5.645 2.883 83 H ARG 33 H ARG 33 15.814 2.150 -0.435 84 HA ARG 33 HA ARG 33 17.549 0.317 1.159 85 1HB ARG 33 2HB ARG 33 17.574 -1.137 -0.758 86 2HB ARG 33 1HB ARG 33 15.951 -0.536 -0.692 87 1HG ARG 33 2HG ARG 33 16.325 -0.318 -2.956 88 2HG ARG 33 1HG ARG 33 16.787 1.278 -2.445 89 1HD ARG 33 2HD ARG 33 18.851 0.982 -3.343 90 2HD ARG 33 1HD ARG 33 19.198 -0.345 -2.285 91 HE ARG 33 HE ARG 33 17.949 -0.478 -5.014 92 1HH1 ARG 33 1HH2 ARG 33 19.369 -2.106 -2.347 93 2HH1 ARG 33 2HH2 ARG 33 19.620 -3.587 -3.164 94 1HH2 ARG 33 2HH1 ARG 33 18.209 -2.407 -6.182 95 2HH2 ARG 33 1HH1 ARG 33 18.909 -3.766 -5.430 96 H GLN 34 H GLN 34 17.659 2.933 -1.138 97 HA GLN 34 HA GLN 34 20.599 2.659 -1.449 98 1HB GLN 34 2HB GLN 34 19.103 3.340 -3.401 99 2HB GLN 34 1HB GLN 34 18.668 4.790 -2.527 100 1HG GLN 34 2HG GLN 34 20.833 5.744 -2.750 101 2HG GLN 34 1HG GLN 34 21.591 4.203 -3.129 102 1HE2 GLN 34 1HE2 GLN 34 22.390 4.824 -5.254 103 2HE2 GLN 34 2HE2 GLN 34 21.321 5.226 -6.512 104 H ARG 35 H ARG 35 19.467 3.036 1.092 105 HA ARG 35 HA ARG 35 20.740 5.537 1.998 106 1HB ARG 35 2HB ARG 35 18.278 5.724 2.223 107 2HB ARG 35 1HB ARG 35 18.205 4.172 3.036 108 1HG ARG 35 2HG ARG 35 19.445 5.080 4.989 109 2HG ARG 35 1HG ARG 35 19.694 6.601 4.155 110 1HD ARG 35 2HD ARG 35 17.437 7.193 4.261 111 2HD ARG 35 1HD ARG 35 16.840 5.593 4.592 112 HE ARG 35 HE ARG 35 17.960 7.533 6.496 113 1HH1 ARG 35 1HH2 ARG 35 17.241 4.248 5.855 114 2HH1 ARG 35 2HH2 ARG 35 16.966 3.770 7.470 115 1HH2 ARG 35 2HH1 ARG 35 17.701 6.999 8.701 116 2HH2 ARG 35 1HH1 ARG 35 17.278 5.402 9.150 117 H TYR 36 H TYR 36 20.648 2.199 1.989 118 HA TYR 36 HA TYR 36 22.278 1.984 4.484 119 1HB TYR 36 2HB TYR 36 19.986 0.741 4.410 120 2HB TYR 36 1HB TYR 36 20.656 -0.227 3.109 121 HD1 TYR 36 HD1 TYR 36 21.450 0.837 6.628 122 HD2 TYR 36 HD2 TYR 36 21.859 -2.185 3.647 123 HE1 TYR 36 HE1 TYR 36 22.523 -0.648 8.263 124 HE2 TYR 36 HE2 TYR 36 22.919 -3.652 5.283 125 HH TYR 36 HH TYR 36 24.092 -3.532 7.385 126 1HT TYR 36 1HT TYR 36 23.662 2.877 2.381 127 2HT TYR 36 2HT TYR 36 24.524 1.632 1.601 Start of MODEL 4 1 HN AYA 24 H ALA 24 1.724 -0.183 0.019 2 HA AYA 24 HA ALA 24 4.241 -1.154 -1.111 3 1HB AYA 24 1HB ALA 24 3.807 1.318 -1.016 4 2HB AYA 24 2HB ALA 24 5.227 0.920 -0.057 5 3HB AYA 24 3HB ALA 24 3.701 1.234 0.738 6 1HM AYA 24 1HA ALA 24 -0.157 -1.225 -0.462 7 2HM AYA 24 2HA ALA 24 0.000 -2.962 -0.184 8 3HM AYA 24 3HA ALA 24 0.003 -2.328 -1.829 9 H ARG 25 H ARG 25 3.854 -3.175 0.170 10 HA ARG 25 HA ARG 25 4.619 -3.010 3.028 11 1HB ARG 25 2HB ARG 25 4.188 -5.457 3.052 12 2HB ARG 25 1HB ARG 25 2.843 -4.618 2.320 13 1HG ARG 25 2HG ARG 25 3.742 -5.249 0.018 14 2HG ARG 25 1HG ARG 25 5.035 -6.143 0.809 15 1HD ARG 25 2HD ARG 25 3.424 -7.824 0.309 16 2HD ARG 25 1HD ARG 25 3.277 -7.501 2.002 17 HE ARG 25 HE ARG 25 1.253 -6.317 1.689 18 1HH1 ARG 25 1HH2 ARG 25 2.555 -7.559 -1.256 19 2HH1 ARG 25 2HH2 ARG 25 1.088 -7.504 -2.129 20 1HH2 ARG 25 2HH1 ARG 25 -0.715 -6.177 0.594 21 2HH2 ARG 25 1HH1 ARG 25 -0.825 -6.667 -1.040 22 H HIS 26 H HIS 26 5.896 -4.518 0.087 23 HA HIS 26 HA HIS 26 8.602 -4.638 1.384 24 1HB HIS 26 2HB HIS 26 7.448 -6.799 0.511 25 2HB HIS 26 1HB HIS 26 7.611 -6.123 -1.107 26 HD1 HIS 26 HD1 HIS 26 9.005 -8.569 -0.994 27 HD2 HIS 26 HD2 HIS 26 10.776 -5.132 0.537 28 HE1 HIS 26 HE1 HIS 26 11.483 -8.897 -0.889 29 H TYR 27 H TYR 27 7.500 -2.357 0.572 30 HA TYR 27 HA TYR 27 9.090 -1.591 -1.844 31 1HB TYR 27 2HB TYR 27 6.262 -1.090 -1.157 32 2HB TYR 27 1HB TYR 27 7.093 0.398 -1.594 33 HD1 TYR 27 HD1 TYR 27 8.632 0.268 -3.651 34 HD2 TYR 27 HD2 TYR 27 5.507 -2.528 -2.944 35 HE1 TYR 27 HE1 TYR 27 8.645 -0.342 -6.027 36 HE2 TYR 27 HE2 TYR 27 5.521 -3.133 -5.319 37 HH TYR 27 HH TYR 27 7.012 -3.048 -7.245 38 H LYS 28 H LYS 28 7.828 -0.384 1.209 39 HA LYS 28 HA LYS 28 9.001 2.058 1.483 40 1HB LYS 28 2HB LYS 28 7.718 0.791 3.306 41 2HB LYS 28 1HB LYS 28 9.143 -0.184 3.600 42 1HG LYS 28 2HG LYS 28 9.240 1.491 5.259 43 2HG LYS 28 1HG LYS 28 10.384 2.035 4.061 44 1HD LYS 28 2HD LYS 28 8.211 3.303 3.067 45 2HD LYS 28 1HD LYS 28 7.629 3.078 4.704 46 1HE LYS 28 2HE LYS 28 8.797 5.218 4.548 47 2HE LYS 28 1HE LYS 28 9.761 4.140 5.554 48 HZ LYS 28 HZ LYS 28 10.243 4.507 2.627 49 H ASN 29 H ASN 29 10.688 -0.952 1.987 50 HA ASN 29 HA ASN 29 13.236 0.397 2.359 51 1HB ASN 29 2HB ASN 29 12.485 -2.557 2.246 52 2HB ASN 29 1HB ASN 29 14.114 -1.979 2.553 53 1HD2 ASN 29 1HD2 ASN 29 11.546 -3.062 4.319 54 2HD2 ASN 29 2HD2 ASN 29 11.754 -2.077 5.687 55 H LEU 30 H LEU 30 11.857 0.535 -0.336 56 HA LEU 30 HA LEU 30 14.115 -0.506 -1.981 57 1HB LEU 30 2HB LEU 30 12.147 -1.152 -3.198 58 2HB LEU 30 1HB LEU 30 11.177 0.149 -2.571 59 HG LEU 30 HG LEU 30 12.307 1.774 -3.894 60 1HD1 LEU 30 1HD1 LEU 30 13.953 1.069 -5.698 61 2HD1 LEU 30 2HD1 LEU 30 13.906 -0.575 -5.070 62 3HD1 LEU 30 3HD1 LEU 30 14.604 0.720 -4.116 63 1HD2 LEU 30 1HD2 LEU 30 10.403 0.698 -4.870 64 2HD2 LEU 30 2HD2 LEU 30 11.429 -0.577 -5.541 65 3HD2 LEU 30 3HD2 LEU 30 11.581 1.077 -6.124 66 H LEU 31 H LEU 31 11.852 2.193 -1.782 67 HA LEU 31 HA LEU 31 13.660 4.180 -2.764 68 1HB LEU 31 2HB LEU 31 12.067 5.784 -1.431 69 2HB LEU 31 1HB LEU 31 11.406 4.889 -2.775 70 HG LEU 31 HG LEU 31 11.274 3.390 -0.186 71 1HD1 LEU 31 1HD1 LEU 31 9.504 5.866 -0.675 72 2HD1 LEU 31 2HD1 LEU 31 10.734 5.808 0.567 73 3HD1 LEU 31 3HD1 LEU 31 9.338 4.755 0.671 74 1HD2 LEU 31 1HD2 LEU 31 9.024 2.879 -0.989 75 2HD2 LEU 31 2HD2 LEU 31 10.165 2.609 -2.283 76 3HD2 LEU 31 3HD2 LEU 31 9.181 4.052 -2.280 77 H GLU 32 H GLU 32 13.269 2.785 0.361 78 HA GLU 32 HA GLU 32 15.185 4.768 1.534 79 1HB GLU 32 2HB GLU 32 13.582 2.563 2.932 80 2HB GLU 32 1HB GLU 32 14.465 3.851 3.721 81 1HG GLU 32 2HG GLU 32 12.966 5.543 2.642 82 2HG GLU 32 1HG GLU 32 12.095 4.256 1.836 83 H ARG 33 H ARG 33 15.886 2.687 -0.409 84 HA ARG 33 HA ARG 33 17.616 0.925 1.271 85 1HB ARG 33 2HB ARG 33 17.623 -0.580 -0.542 86 2HB ARG 33 1HB ARG 33 16.054 0.126 -0.645 87 1HG ARG 33 2HG ARG 33 16.513 0.231 -2.840 88 2HG ARG 33 1HG ARG 33 17.104 1.801 -2.425 89 1HD ARG 33 2HD ARG 33 18.790 0.639 -3.781 90 2HD ARG 33 1HD ARG 33 19.471 0.737 -2.172 91 HE ARG 33 HE ARG 33 18.074 -1.633 -3.361 92 1HH1 ARG 33 1HH2 ARG 33 20.273 -0.359 -0.947 93 2HH1 ARG 33 2HH2 ARG 33 20.781 -1.902 -0.426 94 1HH2 ARG 33 2HH1 ARG 33 18.683 -3.627 -2.668 95 2HH2 ARG 33 1HH1 ARG 33 19.842 -3.801 -1.419 96 H GLN 34 H GLN 34 17.692 3.322 -1.189 97 HA GLN 34 HA GLN 34 20.126 3.567 -2.251 98 1HB GLN 34 2HB GLN 34 18.754 5.917 -0.882 99 2HB GLN 34 1HB GLN 34 19.949 6.010 -2.157 100 1HG GLN 34 2HG GLN 34 18.317 4.650 -3.634 101 2HG GLN 34 1HG GLN 34 17.121 4.849 -2.365 102 1HE2 GLN 34 1HE2 GLN 34 19.485 7.371 -3.518 103 2HE2 GLN 34 2HE2 GLN 34 18.233 8.406 -3.995 104 H ARG 35 H ARG 35 19.649 4.753 1.058 105 HA ARG 35 HA ARG 35 22.601 4.858 1.327 106 1HB ARG 35 2HB ARG 35 22.289 6.637 2.946 107 2HB ARG 35 1HB ARG 35 21.370 7.051 1.513 108 1HG ARG 35 2HG ARG 35 19.321 5.950 2.744 109 2HG ARG 35 1HG ARG 35 20.339 5.927 4.163 110 1HD ARG 35 2HD ARG 35 19.170 7.987 4.426 111 2HD ARG 35 1HD ARG 35 20.699 8.446 3.751 112 HE ARG 35 HE ARG 35 19.738 8.814 1.614 113 1HH1 ARG 35 1HH2 ARG 35 17.469 7.733 3.958 114 2HH1 ARG 35 2HH2 ARG 35 16.068 8.245 3.118 115 1HH2 ARG 35 2HH1 ARG 35 17.952 9.511 0.408 116 2HH2 ARG 35 1HH1 ARG 35 16.368 9.275 0.999 117 H TYR 36 H TYR 36 21.042 2.515 1.673 118 HA TYR 36 HA TYR 36 21.501 1.944 4.584 119 1HB TYR 36 2HB TYR 36 19.015 1.840 3.695 120 2HB TYR 36 1HB TYR 36 19.537 0.435 2.775 121 HD1 TYR 36 HD1 TYR 36 19.530 1.834 6.231 122 HD2 TYR 36 HD2 TYR 36 19.653 -1.707 3.875 123 HE1 TYR 36 HE1 TYR 36 19.354 0.469 8.266 124 HE2 TYR 36 HE2 TYR 36 19.465 -3.062 5.915 125 HH TYR 36 HH TYR 36 20.171 -2.525 8.542 126 1HT TYR 36 1HT TYR 36 23.760 1.572 3.704 127 2HT TYR 36 2HT TYR 36 24.090 0.063 2.992 Start of MODEL 5 1 HN AYA 24 H ALA 24 1.383 -2.284 1.113 2 HA AYA 24 HA ALA 24 2.983 -2.990 -1.284 3 1HB AYA 24 1HB ALA 24 2.067 -0.685 -0.974 4 2HB AYA 24 2HB ALA 24 3.815 -0.660 -1.025 5 3HB AYA 24 3HB ALA 24 2.997 -0.520 0.513 6 1HM AYA 24 1HA ALA 24 -0.910 -4.516 0.343 7 2HM AYA 24 2HA ALA 24 -0.328 -3.542 1.691 8 3HM AYA 24 3HA ALA 24 0.070 -5.263 1.602 9 H ARG 25 H ARG 25 3.234 -4.682 0.670 10 HA ARG 25 HA ARG 25 4.808 -4.930 2.729 11 1HB ARG 25 2HB ARG 25 3.944 -6.834 1.377 12 2HB ARG 25 1HB ARG 25 5.256 -6.628 0.233 13 1HG ARG 25 2HG ARG 25 6.928 -7.167 1.985 14 2HG ARG 25 1HG ARG 25 5.673 -7.206 3.209 15 1HD ARG 25 2HD ARG 25 4.634 -9.160 2.165 16 2HD ARG 25 1HD ARG 25 5.724 -9.076 0.801 17 HE ARG 25 HE ARG 25 6.555 -9.605 3.649 18 1HH1 ARG 25 1HH2 ARG 25 7.004 -10.146 0.257 19 2HH1 ARG 25 2HH2 ARG 25 8.280 -11.257 0.453 20 1HH2 ARG 25 2HH1 ARG 25 8.225 -11.045 3.966 21 2HH2 ARG 25 1HH1 ARG 25 8.992 -11.792 2.636 22 H HIS 26 H HIS 26 6.450 -4.521 -0.386 23 HA HIS 26 HA HIS 26 8.892 -3.717 1.164 24 1HB HIS 26 2HB HIS 26 8.989 -6.044 0.037 25 2HB HIS 26 1HB HIS 26 8.943 -5.199 -1.505 26 HD1 HIS 26 HD1 HIS 26 10.853 -3.194 -1.576 27 HD2 HIS 26 HD2 HIS 26 11.465 -6.442 0.935 28 HE1 HIS 26 HE1 HIS 26 13.307 -3.347 -1.005 29 H TYR 27 H TYR 27 7.296 -1.747 0.611 30 HA TYR 27 HA TYR 27 8.165 -0.532 -1.991 31 1HB TYR 27 2HB TYR 27 5.777 -0.618 -1.488 32 2HB TYR 27 1HB TYR 27 5.970 0.282 -0.002 33 HD1 TYR 27 HD1 TYR 27 6.884 2.734 -0.222 34 HD2 TYR 27 HD2 TYR 27 5.483 0.476 -3.557 35 HE1 TYR 27 HE1 TYR 27 6.614 4.791 -1.510 36 HE2 TYR 27 HE2 TYR 27 5.219 2.548 -4.836 37 HH TYR 27 HH TYR 27 6.516 5.508 -3.865 38 H LYS 28 H LYS 28 7.621 0.746 1.253 39 HA LYS 28 HA LYS 28 9.288 3.000 1.136 40 1HB LYS 28 2HB LYS 28 7.811 2.386 3.127 41 2HB LYS 28 1HB LYS 28 8.964 1.148 3.582 42 1HG LYS 28 2HG LYS 28 10.401 3.655 3.221 43 2HG LYS 28 1HG LYS 28 9.011 3.962 4.230 44 1HD LYS 28 2HD LYS 28 9.688 2.273 5.842 45 2HD LYS 28 1HD LYS 28 10.957 1.688 4.782 46 1HE LYS 28 2HE LYS 28 10.854 4.523 5.928 47 2HE LYS 28 1HE LYS 28 11.873 3.219 6.537 48 HZ LYS 28 HZ LYS 28 12.978 3.141 4.345 49 H ASN 29 H ASN 29 10.044 -0.148 2.269 50 HA ASN 29 HA ASN 29 12.731 -0.047 2.761 51 1HB ASN 29 2HB ASN 29 11.372 -2.478 1.467 52 2HB ASN 29 1HB ASN 29 12.719 -2.520 2.586 53 1HD2 ASN 29 1HD2 ASN 29 12.054 -3.062 4.736 54 2HD2 ASN 29 2HD2 ASN 29 10.509 -2.692 5.336 55 H LEU 30 H LEU 30 11.565 0.374 -0.151 56 HA LEU 30 HA LEU 30 14.064 -0.496 -1.534 57 1HB LEU 30 2HB LEU 30 12.291 -1.320 -2.851 58 2HB LEU 30 1HB LEU 30 11.171 -0.109 -2.310 59 HG LEU 30 HG LEU 30 12.176 1.550 -3.695 60 1HD1 LEU 30 1HD1 LEU 30 13.976 -0.728 -4.746 61 2HD1 LEU 30 2HD1 LEU 30 14.567 0.665 -3.854 62 3HD1 LEU 30 3HD1 LEU 30 13.896 0.874 -5.458 63 1HD2 LEU 30 1HD2 LEU 30 11.475 -1.024 -5.172 64 2HD2 LEU 30 2HD2 LEU 30 11.434 0.576 -5.896 65 3HD2 LEU 30 3HD2 LEU 30 10.338 0.177 -4.585 66 H LEU 31 H LEU 31 11.797 2.271 -1.595 67 HA LEU 31 HA LEU 31 13.554 4.182 -2.667 68 1HB LEU 31 2HB LEU 31 11.482 4.605 -0.455 69 2HB LEU 31 1HB LEU 31 12.212 5.910 -1.371 70 HG LEU 31 HG LEU 31 10.511 3.658 -2.567 71 1HD1 LEU 31 1HD1 LEU 31 8.861 5.460 -2.938 72 2HD1 LEU 31 2HD1 LEU 31 9.918 6.628 -2.159 73 3HD1 LEU 31 3HD1 LEU 31 9.216 5.313 -1.229 74 1HD2 LEU 31 1HD2 LEU 31 10.633 5.004 -4.659 75 2HD2 LEU 31 2HD2 LEU 31 12.243 4.525 -4.198 76 3HD2 LEU 31 3HD2 LEU 31 11.692 6.164 -3.886 77 H GLU 32 H GLU 32 13.443 2.951 0.547 78 HA GLU 32 HA GLU 32 15.666 4.793 1.353 79 1HB GLU 32 2HB GLU 32 13.764 2.994 2.836 80 2HB GLU 32 1HB GLU 32 15.102 3.753 3.674 81 1HG GLU 32 2HG GLU 32 14.263 5.976 3.223 82 2HG GLU 32 1HG GLU 32 13.125 5.397 2.018 83 H ARG 33 H ARG 33 16.230 2.598 -0.461 84 HA ARG 33 HA ARG 33 17.872 0.857 1.339 85 1HB ARG 33 2HB ARG 33 17.931 -0.735 -0.482 86 2HB ARG 33 1HB ARG 33 16.303 -0.173 -0.325 87 1HG ARG 33 2HG ARG 33 16.417 -0.113 -2.574 88 2HG ARG 33 1HG ARG 33 16.980 1.507 -2.279 89 1HD ARG 33 2HD ARG 33 19.349 0.664 -2.377 90 2HD ARG 33 1HD ARG 33 18.777 -0.946 -2.690 91 HE ARG 33 HE ARG 33 18.463 1.465 -4.419 92 1HH1 ARG 33 1HH2 ARG 33 18.257 -1.954 -4.070 93 2HH1 ARG 33 2HH2 ARG 33 18.238 -2.315 -5.744 94 1HH2 ARG 33 2HH1 ARG 33 18.325 1.105 -6.629 95 2HH2 ARG 33 1HH1 ARG 33 18.211 -0.478 -7.262 96 H GLN 34 H GLN 34 18.274 2.856 -1.641 97 HA GLN 34 HA GLN 34 20.825 2.877 -2.298 98 1HB GLN 34 2HB GLN 34 19.002 5.223 -1.780 99 2HB GLN 34 1HB GLN 34 20.687 5.601 -2.045 100 1HG GLN 34 2HG GLN 34 19.752 5.712 -4.221 101 2HG GLN 34 1HG GLN 34 20.503 4.134 -4.203 102 1HE2 GLN 34 1HE2 GLN 34 17.886 5.452 -5.473 103 2HE2 GLN 34 2HE2 GLN 34 16.757 4.205 -5.261 104 H ARG 35 H ARG 35 19.956 4.618 0.625 105 HA ARG 35 HA ARG 35 22.758 4.398 1.562 106 1HB ARG 35 2HB ARG 35 20.826 6.735 1.721 107 2HB ARG 35 1HB ARG 35 22.054 6.569 2.951 108 1HG ARG 35 2HG ARG 35 23.811 6.457 1.107 109 2HG ARG 35 1HG ARG 35 22.555 6.913 -0.030 110 1HD ARG 35 2HD ARG 35 22.163 9.025 1.083 111 2HD ARG 35 1HD ARG 35 23.057 8.547 2.501 112 HE ARG 35 HE ARG 35 25.127 8.532 1.134 113 1HH1 ARG 35 1HH2 ARG 35 22.445 10.407 0.015 114 2HH1 ARG 35 2HH2 ARG 35 23.397 11.536 -0.843 115 1HH2 ARG 35 2HH1 ARG 35 26.414 9.920 -0.009 116 2HH2 ARG 35 1HH1 ARG 35 25.740 11.223 -0.883 117 H TYR 36 H TYR 36 21.003 2.371 2.192 118 HA TYR 36 HA TYR 36 19.858 2.862 4.872 119 1HB TYR 36 2HB TYR 36 18.994 1.114 3.127 120 2HB TYR 36 1HB TYR 36 20.375 0.130 3.573 121 HD1 TYR 36 HD1 TYR 36 20.598 -0.482 6.179 122 HD2 TYR 36 HD2 TYR 36 17.023 1.007 4.394 123 HE1 TYR 36 HE1 TYR 36 19.305 -1.313 8.061 124 HE2 TYR 36 HE2 TYR 36 15.738 0.159 6.287 125 HH TYR 36 HH TYR 36 15.954 -0.588 8.510 126 1HT TYR 36 1HT TYR 36 22.152 3.780 5.386 127 2HT TYR 36 2HT TYR 36 23.278 2.669 6.040 Start of MODEL 6 1 HN AYA 24 H ALA 24 1.314 -3.606 -0.474 2 HA AYA 24 HA ALA 24 3.838 -2.218 -0.974 3 1HB AYA 24 1HB ALA 24 1.719 -1.765 1.173 4 2HB AYA 24 2HB ALA 24 1.756 -0.964 -0.397 5 3HB AYA 24 3HB ALA 24 3.023 -0.657 0.783 6 1HM AYA 24 1HA ALA 24 0.707 -5.289 -1.712 7 2HM AYA 24 2HA ALA 24 2.003 -6.474 -1.876 8 3HM AYA 24 3HA ALA 24 1.629 -5.387 -3.214 9 H ARG 25 H ARG 25 4.948 -4.303 -0.459 10 HA ARG 25 HA ARG 25 5.418 -4.663 2.483 11 1HB ARG 25 2HB ARG 25 4.911 -6.705 1.065 12 2HB ARG 25 1HB ARG 25 6.369 -6.401 0.135 13 1HG ARG 25 2HG ARG 25 7.642 -6.478 2.414 14 2HG ARG 25 1HG ARG 25 6.160 -7.093 3.094 15 1HD ARG 25 2HD ARG 25 7.649 -8.345 0.752 16 2HD ARG 25 1HD ARG 25 7.785 -8.942 2.373 17 HE ARG 25 HE ARG 25 5.448 -9.156 0.567 18 1HH1 ARG 25 1HH2 ARG 25 6.672 -9.409 3.743 19 2HH1 ARG 25 2HH2 ARG 25 5.506 -10.523 4.325 20 1HH2 ARG 25 2HH1 ARG 25 3.809 -10.584 1.218 21 2HH2 ARG 25 1HH1 ARG 25 3.782 -11.188 2.817 22 H HIS 26 H HIS 26 7.396 -4.670 -0.483 23 HA HIS 26 HA HIS 26 9.548 -3.263 1.069 24 1HB HIS 26 2HB HIS 26 9.727 -5.019 -1.446 25 2HB HIS 26 1HB HIS 26 11.081 -4.160 -0.742 26 HD1 HIS 26 HD1 HIS 26 11.506 -7.045 -0.844 27 HD2 HIS 26 HD2 HIS 26 9.471 -5.284 2.330 28 HE1 HIS 26 HE1 HIS 26 11.579 -8.577 1.134 29 H TYR 27 H TYR 27 8.014 -1.486 0.638 30 HA TYR 27 HA TYR 27 8.457 -0.212 -2.058 31 1HB TYR 27 2HB TYR 27 6.047 -0.728 -1.034 32 2HB TYR 27 1HB TYR 27 6.315 0.679 -0.045 33 HD1 TYR 27 HD1 TYR 27 7.094 2.879 -1.406 34 HD2 TYR 27 HD2 TYR 27 5.071 -0.453 -3.132 35 HE1 TYR 27 HE1 TYR 27 6.333 4.278 -3.269 36 HE2 TYR 27 HE2 TYR 27 4.325 0.956 -4.976 37 HH TYR 27 HH TYR 27 5.161 3.182 -6.126 38 H LYS 28 H LYS 28 7.705 1.029 1.157 39 HA LYS 28 HA LYS 28 9.315 3.344 1.073 40 1HB LYS 28 2HB LYS 28 7.623 2.903 2.893 41 2HB LYS 28 1HB LYS 28 8.616 1.603 3.509 42 1HG LYS 28 2HG LYS 28 9.094 3.447 4.922 43 2HG LYS 28 1HG LYS 28 10.477 3.384 3.859 44 1HD LYS 28 2HD LYS 28 9.171 5.117 2.393 45 2HD LYS 28 1HD LYS 28 8.120 5.282 3.785 46 1HE LYS 28 2HE LYS 28 9.799 6.947 4.090 47 2HE LYS 28 1HE LYS 28 10.291 5.643 5.162 48 HZ LYS 28 HZ LYS 28 11.387 5.980 2.404 49 H ASN 29 H ASN 29 9.913 0.210 2.270 50 HA ASN 29 HA ASN 29 12.618 0.520 3.050 51 1HB ASN 29 2HB ASN 29 10.749 -1.445 3.518 52 2HB ASN 29 1HB ASN 29 11.605 -2.206 2.197 53 1HD2 ASN 29 1HD2 ASN 29 14.342 -1.128 3.030 54 2HD2 ASN 29 2HD2 ASN 29 14.667 -1.972 4.471 55 H LEU 30 H LEU 30 11.467 0.523 0.138 56 HA LEU 30 HA LEU 30 13.909 -0.570 -1.184 57 1HB LEU 30 2HB LEU 30 12.131 -1.502 -2.402 58 2HB LEU 30 1HB LEU 30 10.995 -0.289 -1.929 59 HG LEU 30 HG LEU 30 12.032 1.295 -3.499 60 1HD1 LEU 30 1HD1 LEU 30 13.583 -1.178 -4.437 61 2HD1 LEU 30 2HD1 LEU 30 14.323 0.238 -3.701 62 3HD1 LEU 30 3HD1 LEU 30 13.566 0.365 -5.277 63 1HD2 LEU 30 1HD2 LEU 30 10.060 -0.012 -4.125 64 2HD2 LEU 30 2HD2 LEU 30 11.072 -1.340 -4.675 65 3HD2 LEU 30 3HD2 LEU 30 11.084 0.191 -5.540 66 H LEU 31 H LEU 31 11.649 2.197 -1.289 67 HA LEU 31 HA LEU 31 13.270 4.052 -2.649 68 1HB LEU 31 2HB LEU 31 11.289 4.453 -0.364 69 2HB LEU 31 1HB LEU 31 12.147 5.817 -1.052 70 HG LEU 31 HG LEU 31 11.359 5.019 -3.314 71 1HD1 LEU 31 1HD1 LEU 31 9.233 3.735 -3.395 72 2HD1 LEU 31 2HD1 LEU 31 9.356 3.435 -1.672 73 3HD1 LEU 31 3HD1 LEU 31 10.538 2.754 -2.779 74 1HD2 LEU 31 1HD2 LEU 31 10.417 7.023 -2.226 75 2HD2 LEU 31 2HD2 LEU 31 9.282 6.045 -1.315 76 3HD2 LEU 31 3HD2 LEU 31 9.132 6.173 -3.061 77 H GLU 32 H GLU 32 13.278 3.122 0.615 78 HA GLU 32 HA GLU 32 15.639 4.822 1.272 79 1HB GLU 32 2HB GLU 32 13.679 3.219 2.961 80 2HB GLU 32 1HB GLU 32 15.102 3.961 3.667 81 1HG GLU 32 2HG GLU 32 14.385 6.160 3.130 82 2HG GLU 32 1HG GLU 32 13.266 5.612 1.905 83 H ARG 33 H ARG 33 15.921 2.286 -0.351 84 HA ARG 33 HA ARG 33 17.660 0.739 1.516 85 1HB ARG 33 2HB ARG 33 17.781 -0.984 -0.207 86 2HB ARG 33 1HB ARG 33 16.125 -0.551 0.076 87 1HG ARG 33 2HG ARG 33 15.762 -0.071 -2.071 88 2HG ARG 33 1HG ARG 33 17.101 1.032 -2.200 89 1HD ARG 33 2HD ARG 33 18.587 -0.995 -2.514 90 2HD ARG 33 1HD ARG 33 17.204 -2.048 -2.393 91 HE ARG 33 HE ARG 33 17.755 -0.033 -4.539 92 1HH1 ARG 33 1HH2 ARG 33 15.903 -2.735 -3.424 93 2HH1 ARG 33 2HH2 ARG 33 15.233 -3.103 -4.960 94 1HH2 ARG 33 2HH1 ARG 33 16.856 -0.433 -6.549 95 2HH2 ARG 33 1HH1 ARG 33 15.762 -1.731 -6.782 96 H GLN 34 H GLN 34 17.810 2.675 -1.392 97 HA GLN 34 HA GLN 34 20.364 2.375 -2.339 98 1HB GLN 34 2HB GLN 34 18.706 3.957 -3.307 99 2HB GLN 34 1HB GLN 34 18.911 5.048 -1.949 100 1HG GLN 34 2HG GLN 34 20.234 5.757 -3.969 101 2HG GLN 34 1HG GLN 34 21.305 5.427 -2.619 102 1HE2 GLN 34 1HE2 GLN 34 22.800 3.672 -2.866 103 2HE2 GLN 34 2HE2 GLN 34 22.906 2.771 -4.308 104 H ARG 35 H ARG 35 19.653 4.042 0.628 105 HA ARG 35 HA ARG 35 22.547 4.494 1.077 106 1HB ARG 35 2HB ARG 35 21.051 6.561 0.858 107 2HB ARG 35 1HB ARG 35 20.156 6.008 2.258 108 1HG ARG 35 2HG ARG 35 22.198 6.250 3.685 109 2HG ARG 35 1HG ARG 35 23.114 6.744 2.274 110 1HD ARG 35 2HD ARG 35 21.670 8.753 1.996 111 2HD ARG 35 1HD ARG 35 20.657 8.201 3.327 112 HE ARG 35 HE ARG 35 23.576 8.762 3.709 113 1HH1 ARG 35 1HH2 ARG 35 20.285 9.437 4.630 114 2HH1 ARG 35 2HH2 ARG 35 20.722 10.390 5.983 115 1HH2 ARG 35 2HH1 ARG 35 24.171 9.976 5.460 116 2HH2 ARG 35 1HH1 ARG 35 22.989 10.705 6.455 117 H TYR 36 H TYR 36 21.265 2.034 1.493 118 HA TYR 36 HA TYR 36 21.305 1.824 4.492 119 1HB TYR 36 2HB TYR 36 19.117 1.324 2.908 120 2HB TYR 36 1HB TYR 36 19.869 -0.260 2.858 121 HD1 TYR 36 HD1 TYR 36 18.483 2.351 5.058 122 HD2 TYR 36 HD2 TYR 36 19.882 -1.661 4.872 123 HE1 TYR 36 HE1 TYR 36 17.592 1.936 7.303 124 HE2 TYR 36 HE2 TYR 36 18.988 -2.071 7.119 125 HH TYR 36 HH TYR 36 18.415 -0.705 9.164 126 1HT TYR 36 1HT TYR 36 23.743 1.685 3.270 127 2HT TYR 36 2HT TYR 36 24.270 0.069 3.190 Start of MODEL 7 1 HN AYA 24 H ALA 24 0.973 -3.444 1.244 2 HA AYA 24 HA ALA 24 3.267 -2.206 -0.114 3 1HB AYA 24 1HB ALA 24 1.528 -0.806 1.029 4 2HB AYA 24 2HB ALA 24 3.123 -0.537 1.717 5 3HB AYA 24 3HB ALA 24 1.968 -1.540 2.569 6 1HM AYA 24 1HA ALA 24 0.313 -5.347 -1.385 7 2HM AYA 24 2HA ALA 24 -0.090 -5.117 0.320 8 3HM AYA 24 3HA ALA 24 1.045 -6.382 -0.157 9 H ARG 25 H ARG 25 4.461 -4.147 0.037 10 HA ARG 25 HA ARG 25 5.788 -4.623 2.681 11 1HB ARG 25 2HB ARG 25 6.434 -6.843 1.709 12 2HB ARG 25 1HB ARG 25 4.710 -6.605 1.871 13 1HG ARG 25 2HG ARG 25 4.634 -5.947 -0.608 14 2HG ARG 25 1HG ARG 25 6.337 -6.360 -0.713 15 1HD ARG 25 2HD ARG 25 5.788 -8.709 -0.003 16 2HD ARG 25 1HD ARG 25 4.112 -8.250 0.098 17 HE ARG 25 HE ARG 25 4.011 -7.851 -2.264 18 1HH1 ARG 25 1HH2 ARG 25 6.952 -9.318 -1.204 19 2HH1 ARG 25 2HH2 ARG 25 7.363 -9.967 -2.730 20 1HH2 ARG 25 2HH1 ARG 25 4.501 -8.639 -4.289 21 2HH2 ARG 25 1HH1 ARG 25 5.921 -9.560 -4.554 22 H HIS 26 H HIS 26 6.672 -4.281 -0.771 23 HA HIS 26 HA HIS 26 9.424 -3.592 0.207 24 1HB HIS 26 2HB HIS 26 9.244 -5.847 -0.968 25 2HB HIS 26 1HB HIS 26 8.808 -4.977 -2.434 26 HD1 HIS 26 HD1 HIS 26 11.119 -6.198 -3.217 27 HD2 HIS 26 HD2 HIS 26 11.480 -3.014 -0.568 28 HE1 HIS 26 HE1 HIS 26 13.456 -5.364 -3.263 29 H TYR 27 H TYR 27 8.097 -1.396 0.095 30 HA TYR 27 HA TYR 27 8.783 -0.171 -2.574 31 1HB TYR 27 2HB TYR 27 6.201 -0.425 -1.969 32 2HB TYR 27 1HB TYR 27 6.479 0.894 -0.852 33 HD1 TYR 27 HD1 TYR 27 7.025 -0.098 -4.417 34 HD2 TYR 27 HD2 TYR 27 6.459 3.150 -1.703 35 HE1 TYR 27 HE1 TYR 27 6.902 1.461 -6.298 36 HE2 TYR 27 HE2 TYR 27 6.336 4.699 -3.606 37 HH TYR 27 HH TYR 27 5.823 3.778 -6.716 38 H LYS 28 H LYS 28 7.802 0.855 0.641 39 HA LYS 28 HA LYS 28 9.368 3.201 0.838 40 1HB LYS 28 2HB LYS 28 7.543 2.404 2.512 41 2HB LYS 28 1HB LYS 28 8.717 1.279 3.162 42 1HG LYS 28 2HG LYS 28 8.896 3.135 4.592 43 2HG LYS 28 1HG LYS 28 10.250 3.340 3.505 44 1HD LYS 28 2HD LYS 28 8.519 4.789 2.076 45 2HD LYS 28 1HD LYS 28 7.617 4.815 3.571 46 1HE LYS 28 2HE LYS 28 9.118 6.751 3.486 47 2HE LYS 28 1HE LYS 28 9.685 5.659 4.746 48 HZ LYS 28 HZ LYS 28 10.802 5.678 1.973 49 H ASN 29 H ASN 29 9.911 0.082 2.121 50 HA ASN 29 HA ASN 29 12.546 0.229 2.962 51 1HB ASN 29 2HB ASN 29 11.285 -2.311 1.774 52 2HB ASN 29 1HB ASN 29 12.447 -2.260 3.090 53 1HD2 ASN 29 1HD2 ASN 29 11.438 -2.474 5.184 54 2HD2 ASN 29 2HD2 ASN 29 9.808 -2.078 5.456 55 H LEU 30 H LEU 30 11.595 0.382 -0.041 56 HA LEU 30 HA LEU 30 14.143 -0.595 -1.210 57 1HB LEU 30 2HB LEU 30 12.516 -1.538 -2.551 58 2HB LEU 30 1HB LEU 30 11.300 -0.375 -2.134 59 HG LEU 30 HG LEU 30 12.336 1.251 -3.637 60 1HD1 LEU 30 1HD1 LEU 30 14.704 0.334 -3.666 61 2HD1 LEU 30 2HD1 LEU 30 14.076 0.433 -5.298 62 3HD1 LEU 30 3HD1 LEU 30 14.113 -1.114 -4.469 63 1HD2 LEU 30 1HD2 LEU 30 11.637 -1.429 -4.906 64 2HD2 LEU 30 2HD2 LEU 30 11.641 0.107 -5.763 65 3HD2 LEU 30 3HD2 LEU 30 10.515 -0.166 -4.440 66 H LEU 31 H LEU 31 11.933 2.235 -1.594 67 HA LEU 31 HA LEU 31 13.954 3.903 -2.774 68 1HB LEU 31 2HB LEU 31 11.622 4.751 -0.985 69 2HB LEU 31 1HB LEU 31 12.545 5.832 -2.006 70 HG LEU 31 HG LEU 31 10.794 3.507 -2.973 71 1HD1 LEU 31 1HD1 LEU 31 10.503 6.526 -3.315 72 2HD1 LEU 31 2HD1 LEU 31 9.532 5.522 -2.248 73 3HD1 LEU 31 3HD1 LEU 31 9.420 5.315 -3.987 74 1HD2 LEU 31 1HD2 LEU 31 11.313 4.329 -5.276 75 2HD2 LEU 31 2HD2 LEU 31 12.774 3.789 -4.486 76 3HD2 LEU 31 3HD2 LEU 31 12.433 5.507 -4.619 77 H GLU 32 H GLU 32 13.354 2.961 0.439 78 HA GLU 32 HA GLU 32 15.451 4.835 1.467 79 1HB GLU 32 2HB GLU 32 13.329 3.143 2.879 80 2HB GLU 32 1HB GLU 32 14.523 4.095 3.742 81 1HG GLU 32 2HG GLU 32 13.733 6.174 2.697 82 2HG GLU 32 1HG GLU 32 12.713 5.286 1.585 83 H ARG 33 H ARG 33 15.960 2.316 -0.094 84 HA ARG 33 HA ARG 33 17.544 0.822 1.970 85 1HB ARG 33 2HB ARG 33 17.820 -0.955 0.348 86 2HB ARG 33 1HB ARG 33 16.139 -0.562 0.408 87 1HG ARG 33 2HG ARG 33 16.068 -0.319 -1.809 88 2HG ARG 33 1HG ARG 33 17.215 0.975 -1.812 89 1HD ARG 33 2HD ARG 33 18.172 -0.813 -3.191 90 2HD ARG 33 1HD ARG 33 19.033 -0.824 -1.688 91 HE ARG 33 HE ARG 33 17.868 -2.755 -0.945 92 1HH1 ARG 33 1HH2 ARG 33 16.850 -1.702 -4.060 93 2HH1 ARG 33 2HH2 ARG 33 16.125 -3.185 -4.522 94 1HH2 ARG 33 2HH1 ARG 33 16.870 -4.738 -1.450 95 2HH2 ARG 33 1HH1 ARG 33 16.165 -4.965 -2.992 96 H GLN 34 H GLN 34 17.783 2.475 -1.089 97 HA GLN 34 HA GLN 34 20.240 2.444 -2.072 98 1HB GLN 34 2HB GLN 34 18.515 4.849 -1.358 99 2HB GLN 34 1HB GLN 34 20.058 5.095 -2.154 100 1HG GLN 34 2HG GLN 34 18.069 3.133 -3.347 101 2HG GLN 34 1HG GLN 34 17.878 4.856 -3.630 102 1HE2 GLN 34 1HE2 GLN 34 19.276 5.792 -5.196 103 2HE2 GLN 34 2HE2 GLN 34 20.557 4.947 -5.922 104 H ARG 35 H ARG 35 19.669 4.796 0.320 105 HA ARG 35 HA ARG 35 22.134 5.666 1.062 106 1HB ARG 35 2HB ARG 35 21.098 6.201 3.257 107 2HB ARG 35 1HB ARG 35 20.087 6.637 1.896 108 1HG ARG 35 2HG ARG 35 18.796 4.433 2.187 109 2HG ARG 35 1HG ARG 35 19.797 4.075 3.580 110 1HD ARG 35 2HD ARG 35 17.806 6.376 3.316 111 2HD ARG 35 1HD ARG 35 17.776 5.008 4.398 112 HE ARG 35 HE ARG 35 19.662 5.826 5.595 113 1HH1 ARG 35 1HH2 ARG 35 18.490 8.027 3.194 114 2HH1 ARG 35 2HH2 ARG 35 19.215 9.419 3.881 115 1HH2 ARG 35 2HH1 ARG 35 20.689 7.632 6.510 116 2HH2 ARG 35 1HH1 ARG 35 20.507 9.174 5.796 117 H TYR 36 H TYR 36 20.899 2.611 1.972 118 HA TYR 36 HA TYR 36 22.841 2.173 4.120 119 1HB TYR 36 2HB TYR 36 20.396 1.157 3.715 120 2HB TYR 36 1HB TYR 36 21.250 0.007 2.719 121 HD1 TYR 36 HD1 TYR 36 19.618 -0.719 5.056 122 HD2 TYR 36 HD2 TYR 36 23.789 0.144 4.844 123 HE1 TYR 36 HE1 TYR 36 20.006 -2.098 7.033 124 HE2 TYR 36 HE2 TYR 36 24.154 -1.232 6.828 125 HH TYR 36 HH TYR 36 21.944 -2.050 8.922 126 1HT TYR 36 1HT TYR 36 24.174 2.960 1.808 127 2HT TYR 36 2HT TYR 36 25.083 1.653 1.198 Start of MODEL 8 1 HN AYA 24 H ALA 24 1.023 -3.600 1.800 2 HA AYA 24 HA ALA 24 3.107 -2.145 0.318 3 1HB AYA 24 1HB ALA 24 2.452 -0.267 1.845 4 2HB AYA 24 2HB ALA 24 1.437 -1.354 2.764 5 3HB AYA 24 3HB ALA 24 1.020 -0.964 1.099 6 1HM AYA 24 1HA ALA 24 0.385 -5.585 1.134 7 2HM AYA 24 2HA ALA 24 1.768 -6.634 0.797 8 3HM AYA 24 3HA ALA 24 0.860 -5.918 -0.533 9 H ARG 25 H ARG 25 4.435 -4.124 1.130 10 HA ARG 25 HA ARG 25 5.757 -3.366 3.729 11 1HB ARG 25 2HB ARG 25 5.741 -6.087 2.311 12 2HB ARG 25 1HB ARG 25 6.563 -5.733 3.819 13 1HG ARG 25 2HG ARG 25 4.299 -5.117 4.822 14 2HG ARG 25 1HG ARG 25 3.545 -5.630 3.324 15 1HD ARG 25 2HD ARG 25 4.680 -7.910 3.644 16 2HD ARG 25 1HD ARG 25 5.225 -7.365 5.206 17 HE ARG 25 HE ARG 25 2.865 -7.072 5.901 18 1HH1 ARG 25 1HH2 ARG 25 3.528 -9.138 3.198 19 2HH1 ARG 25 2HH2 ARG 25 2.105 -10.059 3.366 20 1HH2 ARG 25 2HH1 ARG 25 0.990 -8.244 6.164 21 2HH2 ARG 25 1HH1 ARG 25 0.609 -9.538 5.112 22 H HIS 26 H HIS 26 7.067 -5.335 1.028 23 HA HIS 26 HA HIS 26 9.494 -3.612 1.189 24 1HB HIS 26 2HB HIS 26 8.952 -6.235 -0.294 25 2HB HIS 26 1HB HIS 26 10.473 -5.374 -0.349 26 HD1 HIS 26 HD1 HIS 26 11.158 -7.835 0.732 27 HD2 HIS 26 HD2 HIS 26 9.207 -5.105 3.193 28 HE1 HIS 26 HE1 HIS 26 11.518 -8.476 3.114 29 H TYR 27 H TYR 27 7.627 -2.165 0.363 30 HA TYR 27 HA TYR 27 7.950 -1.884 -2.620 31 1HB TYR 27 2HB TYR 27 5.559 -2.478 -1.697 32 2HB TYR 27 1HB TYR 27 5.528 -0.855 -1.037 33 HD1 TYR 27 HD1 TYR 27 6.165 1.085 -2.795 34 HD2 TYR 27 HD2 TYR 27 4.772 -2.803 -3.885 35 HE1 TYR 27 HE1 TYR 27 5.479 1.933 -4.973 36 HE2 TYR 27 HE2 TYR 27 4.089 -1.934 -6.058 37 HH TYR 27 HH TYR 27 5.124 0.540 -7.462 38 H LYS 28 H LYS 28 7.406 -0.184 0.401 39 HA LYS 28 HA LYS 28 8.242 2.389 -0.720 40 1HB LYS 28 2HB LYS 28 6.525 2.179 1.110 41 2HB LYS 28 1HB LYS 28 7.733 1.478 2.170 42 1HG LYS 28 2HG LYS 28 8.178 4.225 0.953 43 2HG LYS 28 1HG LYS 28 7.182 4.038 2.379 44 1HD LYS 28 2HD LYS 28 8.941 3.237 3.696 45 2HD LYS 28 1HD LYS 28 9.979 2.820 2.366 46 1HE LYS 28 2HE LYS 28 9.943 5.351 1.787 47 2HE LYS 28 1HE LYS 28 9.285 5.551 3.410 48 HZ LYS 28 HZ LYS 28 11.299 4.287 4.233 49 H ASN 29 H ASN 29 9.558 0.112 1.570 50 HA ASN 29 HA ASN 29 11.982 1.124 2.310 51 1HB ASN 29 2HB ASN 29 11.350 -1.797 1.736 52 2HB ASN 29 1HB ASN 29 12.644 -1.228 2.780 53 1HD2 ASN 29 1HD2 ASN 29 11.982 -1.553 4.932 54 2HD2 ASN 29 2HD2 ASN 29 10.403 -1.224 5.481 55 H LEU 30 H LEU 30 11.643 1.079 -0.705 56 HA LEU 30 HA LEU 30 14.282 0.091 -1.687 57 1HB LEU 30 2HB LEU 30 12.095 1.346 -3.384 58 2HB LEU 30 1HB LEU 30 13.281 0.148 -3.855 59 HG LEU 30 HG LEU 30 10.966 -0.272 -1.955 60 1HD1 LEU 30 1HD1 LEU 30 10.043 -1.685 -3.809 61 2HD1 LEU 30 2HD1 LEU 30 11.413 -1.235 -4.814 62 3HD1 LEU 30 3HD1 LEU 30 10.252 -0.016 -4.300 63 1HD2 LEU 30 1HD2 LEU 30 11.534 -2.716 -2.105 64 2HD2 LEU 30 2HD2 LEU 30 12.860 -1.816 -1.396 65 3HD2 LEU 30 3HD2 LEU 30 12.946 -2.331 -3.073 66 H LEU 31 H LEU 31 12.030 2.817 -1.658 67 HA LEU 31 HA LEU 31 13.770 4.840 -2.585 68 1HB LEU 31 2HB LEU 31 11.526 4.942 -0.503 69 2HB LEU 31 1HB LEU 31 12.262 6.381 -1.175 70 HG LEU 31 HG LEU 31 10.862 4.223 -2.852 71 1HD1 LEU 31 1HD1 LEU 31 9.000 5.892 -3.016 72 2HD1 LEU 31 2HD1 LEU 31 9.862 6.957 -1.915 73 3HD1 LEU 31 3HD1 LEU 31 9.268 5.404 -1.350 74 1HD2 LEU 31 1HD2 LEU 31 11.762 7.065 -3.579 75 2HD2 LEU 31 2HD2 LEU 31 10.931 5.939 -4.641 76 3HD2 LEU 31 3HD2 LEU 31 12.564 5.599 -4.117 77 H GLU 32 H GLU 32 13.508 3.183 0.358 78 HA GLU 32 HA GLU 32 15.540 4.940 1.693 79 1HB GLU 32 2HB GLU 32 13.559 2.854 2.677 80 2HB GLU 32 1HB GLU 32 14.946 3.169 3.682 81 1HG GLU 32 2HG GLU 32 13.323 4.680 4.543 82 2HG GLU 32 1HG GLU 32 14.203 5.723 3.442 83 H ARG 33 H ARG 33 16.275 3.162 -0.512 84 HA ARG 33 HA ARG 33 18.014 1.207 0.899 85 1HB ARG 33 2HB ARG 33 17.118 1.446 -1.984 86 2HB ARG 33 1HB ARG 33 18.357 0.321 -1.570 87 1HG ARG 33 2HG ARG 33 15.639 0.402 -0.340 88 2HG ARG 33 1HG ARG 33 16.122 -0.746 -1.577 89 1HD ARG 33 2HD ARG 33 17.135 -0.577 1.310 90 2HD ARG 33 1HD ARG 33 16.160 -1.805 0.577 91 HE ARG 33 HE ARG 33 18.990 -1.229 -0.316 92 1HH1 ARG 33 1HH2 ARG 33 16.524 -3.519 0.507 93 2HH1 ARG 33 2HH2 ARG 33 17.461 -4.888 0.127 94 1HH2 ARG 33 2HH1 ARG 33 20.264 -3.007 -0.816 95 2HH2 ARG 33 1HH1 ARG 33 19.642 -4.584 -0.613 96 H GLN 34 H GLN 34 18.452 4.309 -0.400 97 HA GLN 34 HA GLN 34 20.956 4.151 -1.676 98 1HB GLN 34 2HB GLN 34 20.037 6.265 0.367 99 2HB GLN 34 1HB GLN 34 21.513 6.401 -0.564 100 1HG GLN 34 2HG GLN 34 20.044 6.119 -2.690 101 2HG GLN 34 1HG GLN 34 18.663 6.432 -1.644 102 1HE2 GLN 34 1HE2 GLN 34 18.133 8.678 -1.612 103 2HE2 GLN 34 2HE2 GLN 34 19.303 9.897 -1.820 104 H ARG 35 H ARG 35 20.212 3.836 1.669 105 HA ARG 35 HA ARG 35 22.677 3.908 2.970 106 1HB ARG 35 2HB ARG 35 21.607 2.376 4.640 107 2HB ARG 35 1HB ARG 35 20.516 3.659 4.151 108 1HG ARG 35 2HG ARG 35 19.646 1.920 2.352 109 2HG ARG 35 1HG ARG 35 20.484 0.731 3.315 110 1HD ARG 35 2HD ARG 35 18.337 2.620 4.329 111 2HD ARG 35 1HD ARG 35 17.991 0.988 3.902 112 HE ARG 35 HE ARG 35 19.437 1.970 6.284 113 1HH1 ARG 35 1HH2 ARG 35 18.557 -0.702 4.333 114 2HH1 ARG 35 2HH2 ARG 35 18.698 -1.901 5.552 115 1HH2 ARG 35 2HH1 ARG 35 19.653 0.481 7.975 116 2HH2 ARG 35 1HH1 ARG 35 19.416 -1.188 7.717 117 H TYR 36 H TYR 36 21.572 1.592 0.772 118 HA TYR 36 HA TYR 36 23.980 -0.146 1.112 119 1HB TYR 36 2HB TYR 36 21.069 -0.808 0.765 120 2HB TYR 36 1HB TYR 36 22.151 -1.714 -0.275 121 HD1 TYR 36 HD1 TYR 36 22.235 -0.625 3.341 122 HD2 TYR 36 HD2 TYR 36 22.709 -3.809 0.540 123 HE1 TYR 36 HE1 TYR 36 22.765 -2.178 5.167 124 HE2 TYR 36 HE2 TYR 36 23.228 -5.337 2.364 125 HH TYR 36 HH TYR 36 24.087 -5.233 4.683 126 1HT TYR 36 1HT TYR 36 23.914 2.269 -0.458 127 2HT TYR 36 2HT TYR 36 24.030 1.811 -2.091 Start of MODEL 9 1 HN AYA 24 H ALA 24 -0.179 -1.696 0.594 2 HA AYA 24 HA ALA 24 2.417 -0.355 0.308 3 1HB AYA 24 1HB ALA 24 1.823 0.639 2.511 4 2HB AYA 24 2HB ALA 24 0.434 -0.418 2.633 5 3HB AYA 24 3HB ALA 24 0.484 0.826 1.389 6 1HM AYA 24 1HA ALA 24 -1.068 -2.798 -1.019 7 2HM AYA 24 2HA ALA 24 0.073 -3.935 -1.735 8 3HM AYA 24 3HA ALA 24 -0.344 -2.444 -2.585 9 H ARG 25 H ARG 25 3.055 -2.740 0.072 10 HA ARG 25 HA ARG 25 4.225 -3.677 2.657 11 1HB ARG 25 2HB ARG 25 4.133 -6.027 1.402 12 2HB ARG 25 1HB ARG 25 2.673 -5.404 2.128 13 1HG ARG 25 2HG ARG 25 2.092 -6.222 -0.043 14 2HG ARG 25 1HG ARG 25 1.956 -4.493 -0.097 15 1HD ARG 25 2HD ARG 25 4.554 -4.805 -1.043 16 2HD ARG 25 1HD ARG 25 3.871 -6.308 -1.549 17 HE ARG 25 HE ARG 25 2.937 -3.557 -2.259 18 1HH1 ARG 25 1HH2 ARG 25 2.734 -6.986 -2.780 19 2HH1 ARG 25 2HH2 ARG 25 1.919 -6.859 -4.270 20 1HH2 ARG 25 2HH1 ARG 25 1.860 -3.336 -4.169 21 2HH2 ARG 25 1HH1 ARG 25 1.341 -4.702 -5.075 22 H HIS 26 H HIS 26 6.211 -5.030 2.112 23 HA HIS 26 HA HIS 26 8.461 -4.101 1.544 24 1HB HIS 26 2HB HIS 26 7.445 -6.341 -0.220 25 2HB HIS 26 1HB HIS 26 9.141 -5.990 0.021 26 HD1 HIS 26 HD1 HIS 26 8.242 -8.656 0.879 27 HD2 HIS 26 HD2 HIS 26 8.097 -5.379 3.432 28 HE1 HIS 26 HE1 HIS 26 8.229 -9.461 3.245 29 H TYR 27 H TYR 27 7.674 -1.996 0.565 30 HA TYR 27 HA TYR 27 8.618 -1.863 -2.279 31 1HB TYR 27 2HB TYR 27 6.043 -1.477 -1.810 32 2HB TYR 27 1HB TYR 27 6.520 0.049 -1.109 33 HD1 TYR 27 HD1 TYR 27 8.060 1.601 -2.662 34 HD2 TYR 27 HD2 TYR 27 5.664 -1.619 -4.107 35 HE1 TYR 27 HE1 TYR 27 8.099 2.565 -4.911 36 HE2 TYR 27 HE2 TYR 27 5.718 -0.639 -6.346 37 HH TYR 27 HH TYR 27 7.766 1.942 -7.224 38 H LYS 28 H LYS 28 7.878 0.142 0.508 39 HA LYS 28 HA LYS 28 9.561 2.289 0.238 40 1HB LYS 28 2HB LYS 28 8.028 1.303 2.341 41 2HB LYS 28 1HB LYS 28 9.633 1.080 2.990 42 1HG LYS 28 2HG LYS 28 10.085 3.558 2.331 43 2HG LYS 28 1HG LYS 28 8.375 3.667 1.997 44 1HD LYS 28 2HD LYS 28 8.747 4.492 4.230 45 2HD LYS 28 1HD LYS 28 7.853 2.984 4.322 46 1HE LYS 28 2HE LYS 28 9.805 3.222 5.943 47 2HE LYS 28 1HE LYS 28 9.859 1.748 4.988 48 HZ LYS 28 HZ LYS 28 11.430 4.235 4.390 49 H ASN 29 H ASN 29 10.449 -0.887 1.229 50 HA ASN 29 HA ASN 29 12.987 -0.778 2.159 51 1HB ASN 29 2HB ASN 29 11.750 -2.728 0.191 52 2HB ASN 29 1HB ASN 29 13.438 -2.928 0.634 53 1HD2 ASN 29 1HD2 ASN 29 10.562 -4.239 1.495 54 2HD2 ASN 29 2HD2 ASN 29 10.853 -4.440 3.159 55 H LEU 30 H LEU 30 12.161 -0.352 -0.875 56 HA LEU 30 HA LEU 30 14.736 -0.118 -2.346 57 1HB LEU 30 2HB LEU 30 12.032 0.992 -3.220 58 2HB LEU 30 1HB LEU 30 13.361 0.509 -4.246 59 HG LEU 30 HG LEU 30 11.911 -1.387 -2.384 60 1HD1 LEU 30 1HD1 LEU 30 10.692 -2.193 -4.440 61 2HD1 LEU 30 2HD1 LEU 30 11.456 -0.918 -5.376 62 3HD1 LEU 30 3HD1 LEU 30 10.334 -0.515 -4.084 63 1HD2 LEU 30 1HD2 LEU 30 13.733 -1.920 -4.780 64 2HD2 LEU 30 2HD2 LEU 30 12.922 -3.163 -3.848 65 3HD2 LEU 30 3HD2 LEU 30 14.161 -2.177 -3.095 66 H LEU 31 H LEU 31 12.209 2.167 -1.448 67 HA LEU 31 HA LEU 31 13.709 4.539 -2.004 68 1HB LEU 31 2HB LEU 31 11.579 4.092 0.178 69 2HB LEU 31 1HB LEU 31 12.105 5.657 -0.397 70 HG LEU 31 HG LEU 31 10.721 3.567 -2.175 71 1HD1 LEU 31 1HD1 LEU 31 9.629 6.113 -0.890 72 2HD1 LEU 31 2HD1 LEU 31 9.177 4.483 -0.417 73 3HD1 LEU 31 3HD1 LEU 31 8.742 5.084 -2.005 74 1HD2 LEU 31 1HD2 LEU 31 12.204 5.174 -3.423 75 2HD2 LEU 31 2HD2 LEU 31 11.371 6.517 -2.662 76 3HD2 LEU 31 3HD2 LEU 31 10.513 5.460 -3.765 77 H GLU 32 H GLU 32 13.776 2.166 0.416 78 HA GLU 32 HA GLU 32 15.622 3.767 2.146 79 1HB GLU 32 2HB GLU 32 14.043 1.191 2.589 80 2HB GLU 32 1HB GLU 32 15.111 1.881 3.797 81 1HG GLU 32 2HG GLU 32 13.723 3.775 4.159 82 2HG GLU 32 1HG GLU 32 13.066 3.757 2.542 83 H ARG 33 H ARG 33 16.453 2.747 -0.371 84 HA ARG 33 HA ARG 33 18.560 0.750 0.359 85 1HB ARG 33 2HB ARG 33 17.464 1.712 -2.350 86 2HB ARG 33 1HB ARG 33 18.804 0.623 -2.283 87 1HG ARG 33 2HG ARG 33 16.159 0.048 -1.174 88 2HG ARG 33 1HG ARG 33 16.748 -0.563 -2.715 89 1HD ARG 33 2HD ARG 33 17.009 -2.385 -1.149 90 2HD ARG 33 1HD ARG 33 18.621 -1.661 -1.260 91 HE ARG 33 HE ARG 33 16.702 -0.643 0.777 92 1HH1 ARG 33 1HH2 ARG 33 19.578 -2.490 0.117 93 2HH1 ARG 33 2HH2 ARG 33 20.148 -2.440 1.728 94 1HH2 ARG 33 2HH1 ARG 33 17.403 -0.509 2.814 95 2HH2 ARG 33 1HH1 ARG 33 18.792 -1.339 3.382 96 H GLN 34 H GLN 34 18.224 3.723 -1.465 97 HA GLN 34 HA GLN 34 20.721 4.544 -2.028 98 1HB GLN 34 2HB GLN 34 18.405 6.136 -0.836 99 2HB GLN 34 1HB GLN 34 19.891 6.936 -1.297 100 1HG GLN 34 2HG GLN 34 19.652 6.216 -3.627 101 2HG GLN 34 1HG GLN 34 18.298 5.175 -3.235 102 1HE2 GLN 34 1HE2 GLN 34 19.041 8.301 -4.373 103 2HE2 GLN 34 2HE2 GLN 34 17.526 8.997 -4.044 104 H ARG 35 H ARG 35 19.426 5.340 1.193 105 HA ARG 35 HA ARG 35 22.230 5.731 2.065 106 1HB ARG 35 2HB ARG 35 20.399 7.450 2.673 107 2HB ARG 35 1HB ARG 35 19.724 6.226 3.746 108 1HG ARG 35 2HG ARG 35 22.197 6.068 4.727 109 2HG ARG 35 1HG ARG 35 22.454 7.576 3.886 110 1HD ARG 35 2HD ARG 35 20.775 8.702 5.192 111 2HD ARG 35 1HD ARG 35 20.209 7.226 5.934 112 HE ARG 35 HE ARG 35 22.835 8.585 6.379 113 1HH1 ARG 35 1HH2 ARG 35 20.646 6.072 7.261 114 2HH1 ARG 35 2HH2 ARG 35 21.394 5.720 8.759 115 1HH2 ARG 35 2HH1 ARG 35 23.890 8.154 8.321 116 2HH2 ARG 35 1HH1 ARG 35 23.305 6.923 9.354 117 H TYR 36 H TYR 36 21.773 3.216 1.484 118 HA TYR 36 HA TYR 36 21.968 1.872 4.124 119 1HB TYR 36 2HB TYR 36 19.634 1.666 2.493 120 2HB TYR 36 1HB TYR 36 20.533 0.203 2.136 121 HD1 TYR 36 HD1 TYR 36 18.255 1.690 4.400 122 HD2 TYR 36 HD2 TYR 36 21.536 -1.030 4.288 123 HE1 TYR 36 HE1 TYR 36 17.534 0.724 6.533 124 HE2 TYR 36 HE2 TYR 36 20.804 -1.987 6.423 125 HH TYR 36 HH TYR 36 18.956 -0.606 8.514 126 1HT TYR 36 1HT TYR 36 22.048 1.302 0.587 127 2HT TYR 36 2HT TYR 36 23.553 0.500 0.614 Start of MODEL 10 1 HN AYA 24 H ALA 24 2.238 -1.476 3.554 2 HA AYA 24 HA ALA 24 4.112 -1.085 1.317 3 1HB AYA 24 1HB ALA 24 3.308 0.903 2.640 4 2HB AYA 24 2HB ALA 24 5.053 0.728 2.770 5 3HB AYA 24 3HB ALA 24 4.024 0.213 4.092 6 1HM AYA 24 1HA ALA 24 1.096 -4.415 2.740 7 2HM AYA 24 2HA ALA 24 0.240 -3.331 1.644 8 3HM AYA 24 3HA ALA 24 0.521 -2.847 3.317 9 H ARG 25 H ARG 25 4.630 -3.368 1.600 10 HA ARG 25 HA ARG 25 6.591 -3.947 3.775 11 1HB ARG 25 2HB ARG 25 4.771 -5.597 3.335 12 2HB ARG 25 1HB ARG 25 5.314 -5.786 1.682 13 1HG ARG 25 2HG ARG 25 7.670 -6.338 2.932 14 2HG ARG 25 1HG ARG 25 6.592 -6.708 4.252 15 1HD ARG 25 2HD ARG 25 5.367 -8.373 2.836 16 2HD ARG 25 1HD ARG 25 6.349 -7.892 1.476 17 HE ARG 25 HE ARG 25 8.278 -8.824 2.405 18 1HH1 ARG 25 1HH2 ARG 25 5.516 -9.243 4.391 19 2HH1 ARG 25 2HH2 ARG 25 6.146 -10.526 5.335 20 1HH2 ARG 25 2HH1 ARG 25 9.229 -10.452 3.590 21 2HH2 ARG 25 1HH1 ARG 25 8.387 -11.244 4.855 22 H HIS 26 H HIS 26 6.506 -4.769 0.283 23 HA HIS 26 HA HIS 26 9.439 -4.100 0.237 24 1HB HIS 26 2HB HIS 26 7.876 -6.177 -1.347 25 2HB HIS 26 1HB HIS 26 9.518 -5.703 -1.729 26 HD1 HIS 26 HD1 HIS 26 9.389 -8.474 -1.140 27 HD2 HIS 26 HD2 HIS 26 9.634 -5.732 1.974 28 HE1 HIS 26 HE1 HIS 26 10.266 -9.630 0.890 29 H TYR 27 H TYR 27 7.498 -2.153 -0.113 30 HA TYR 27 HA TYR 27 7.961 -1.436 -2.998 31 1HB TYR 27 2HB TYR 27 5.405 -1.857 -2.069 32 2HB TYR 27 1HB TYR 27 5.584 -0.171 -1.599 33 HD1 TYR 27 HD1 TYR 27 6.288 -2.459 -4.462 34 HD2 TYR 27 HD2 TYR 27 5.197 1.503 -3.319 35 HE1 TYR 27 HE1 TYR 27 6.029 -1.854 -6.810 36 HE2 TYR 27 HE2 TYR 27 4.941 2.093 -5.688 37 HH TYR 27 HH TYR 27 4.653 -0.079 -8.109 38 H LYS 28 H LYS 28 7.398 -0.174 0.240 39 HA LYS 28 HA LYS 28 8.441 2.467 -0.406 40 1HB LYS 28 2HB LYS 28 6.854 2.079 1.524 41 2HB LYS 28 1HB LYS 28 8.038 1.057 2.315 42 1HG LYS 28 2HG LYS 28 8.732 3.932 1.610 43 2HG LYS 28 1HG LYS 28 7.825 3.559 3.060 44 1HD LYS 28 2HD LYS 28 9.580 2.255 3.978 45 2HD LYS 28 1HD LYS 28 10.494 2.167 2.505 46 1HE LYS 28 2HE LYS 28 10.713 4.752 2.673 47 2HE LYS 28 1HE LYS 28 10.150 4.534 4.336 48 HZ LYS 28 HZ LYS 28 11.990 2.837 4.589 49 H ASN 29 H ASN 29 9.637 -0.369 1.264 50 HA ASN 29 HA ASN 29 12.182 0.299 1.956 51 1HB ASN 29 2HB ASN 29 10.814 -2.291 1.244 52 2HB ASN 29 1HB ASN 29 12.562 -2.353 1.444 53 1HD2 ASN 29 1HD2 ASN 29 13.208 -2.660 3.573 54 2HD2 ASN 29 2HD2 ASN 29 12.285 -2.197 4.924 55 H LEU 30 H LEU 30 11.642 0.856 -0.987 56 HA LEU 30 HA LEU 30 14.218 -0.053 -2.253 57 1HB LEU 30 2HB LEU 30 12.008 1.579 -3.583 58 2HB LEU 30 1HB LEU 30 13.131 0.459 -4.330 59 HG LEU 30 HG LEU 30 10.915 -0.304 -2.392 60 1HD1 LEU 30 1HD1 LEU 30 11.112 -0.661 -5.407 61 2HD1 LEU 30 2HD1 LEU 30 10.044 0.446 -4.549 62 3HD1 LEU 30 3HD1 LEU 30 9.811 -1.285 -4.399 63 1HD2 LEU 30 1HD2 LEU 30 11.389 -2.664 -3.062 64 2HD2 LEU 30 2HD2 LEU 30 12.801 -1.937 -2.318 65 3HD2 LEU 30 3HD2 LEU 30 12.726 -2.118 -4.064 66 H LEU 31 H LEU 31 12.107 2.639 -1.368 67 HA LEU 31 HA LEU 31 13.865 4.787 -1.998 68 1HB LEU 31 2HB LEU 31 11.854 4.561 0.320 69 2HB LEU 31 1HB LEU 31 12.548 6.057 -0.257 70 HG LEU 31 HG LEU 31 10.775 4.196 -1.924 71 1HD1 LEU 31 1HD1 LEU 31 9.072 6.006 -1.679 72 2HD1 LEU 31 2HD1 LEU 31 10.160 6.894 -0.629 73 3HD1 LEU 31 3HD1 LEU 31 9.521 5.343 -0.119 74 1HD2 LEU 31 1HD2 LEU 31 11.851 6.995 -2.533 75 2HD2 LEU 31 2HD2 LEU 31 10.741 6.089 -3.540 76 3HD2 LEU 31 3HD2 LEU 31 12.373 5.518 -3.335 77 H GLU 32 H GLU 32 13.853 2.412 0.397 78 HA GLU 32 HA GLU 32 15.987 3.791 1.995 79 1HB GLU 32 2HB GLU 32 14.015 1.581 2.561 80 2HB GLU 32 1HB GLU 32 15.508 1.486 3.448 81 1HG GLU 32 2HG GLU 32 14.005 2.758 4.849 82 2HG GLU 32 1HG GLU 32 15.040 3.983 4.135 83 H ARG 33 H ARG 33 16.446 2.494 -0.679 84 HA ARG 33 HA ARG 33 18.385 0.382 0.168 85 1HB ARG 33 2HB ARG 33 17.149 1.137 -2.509 86 2HB ARG 33 1HB ARG 33 18.314 -0.132 -2.390 87 1HG ARG 33 2HG ARG 33 15.663 0.012 -0.977 88 2HG ARG 33 1HG ARG 33 16.017 -1.078 -2.298 89 1HD ARG 33 2HD ARG 33 17.203 -1.181 0.565 90 2HD ARG 33 1HD ARG 33 15.968 -2.178 -0.166 91 HE ARG 33 HE ARG 33 18.633 -2.155 -1.495 92 1HH1 ARG 33 1HH2 ARG 33 16.376 -3.742 0.565 93 2HH1 ARG 33 2HH2 ARG 33 17.047 -5.313 0.358 94 1HH2 ARG 33 2HH1 ARG 33 19.598 -4.162 -1.763 95 2HH2 ARG 33 1HH1 ARG 33 18.967 -5.549 -0.991 96 H GLN 34 H GLN 34 18.482 3.463 -0.166 97 HA GLN 34 HA GLN 34 21.231 3.666 -1.369 98 1HB GLN 34 2HB GLN 34 18.965 5.640 -1.014 99 2HB GLN 34 1HB GLN 34 20.523 6.257 -0.524 100 1HG GLN 34 2HG GLN 34 21.420 5.561 -2.820 101 2HG GLN 34 1HG GLN 34 19.749 5.301 -3.303 102 1HE2 GLN 34 1HE2 GLN 34 18.703 7.194 -4.071 103 2HE2 GLN 34 2HE2 GLN 34 19.236 8.763 -3.693 104 H ARG 35 H ARG 35 19.431 5.151 1.288 105 HA ARG 35 HA ARG 35 21.773 4.903 3.057 106 1HB ARG 35 2HB ARG 35 19.108 6.388 3.385 107 2HB ARG 35 1HB ARG 35 20.391 6.391 4.574 108 1HG ARG 35 2HG ARG 35 21.949 7.472 2.988 109 2HG ARG 35 1HG ARG 35 20.770 7.367 1.703 110 1HD ARG 35 2HD ARG 35 20.877 9.631 2.724 111 2HD ARG 35 1HD ARG 35 19.276 8.967 2.833 112 HE ARG 35 HE ARG 35 21.292 9.195 5.053 113 1HH1 ARG 35 1HH2 ARG 35 18.041 8.543 4.059 114 2HH1 ARG 35 2HH2 ARG 35 17.382 8.676 5.635 115 1HH2 ARG 35 2HH1 ARG 35 20.494 9.326 7.122 116 2HH2 ARG 35 1HH1 ARG 35 18.828 9.082 7.432 117 H TYR 36 H TYR 36 21.257 2.691 2.653 118 HA TYR 36 HA TYR 36 19.719 0.754 3.100 119 1HB TYR 36 2HB TYR 36 22.151 1.273 4.825 120 2HB TYR 36 1HB TYR 36 21.225 -0.185 5.098 121 HD1 TYR 36 HD1 TYR 36 22.838 1.748 2.265 122 HD2 TYR 36 HD2 TYR 36 21.577 -2.047 3.757 123 HE1 TYR 36 HE1 TYR 36 23.837 0.659 0.341 124 HE2 TYR 36 HE2 TYR 36 22.602 -3.131 1.817 125 HH TYR 36 HH TYR 36 24.799 -1.741 -0.111 126 1HT TYR 36 1HT TYR 36 17.629 1.618 3.834 127 2HT TYR 36 2HT TYR 36 17.253 1.510 5.501 Start of MODEL 11 1 HN AYA 24 H ALA 24 1.740 -3.155 -1.969 2 HA AYA 24 HA ALA 24 4.212 -1.627 -1.610 3 1HB AYA 24 1HB ALA 24 2.081 -0.491 -2.291 4 2HB AYA 24 2HB ALA 24 2.675 0.141 -0.763 5 3HB AYA 24 3HB ALA 24 1.341 -0.995 -0.773 6 1HM AYA 24 1HA ALA 24 3.020 -6.144 -2.331 7 2HM AYA 24 2HA ALA 24 3.251 -5.358 -3.894 8 3HM AYA 24 3HA ALA 24 1.765 -5.089 -2.982 9 H ARG 25 H ARG 25 4.856 -3.541 -0.307 10 HA ARG 25 HA ARG 25 4.344 -3.067 2.616 11 1HB ARG 25 2HB ARG 25 3.539 -5.344 1.602 12 2HB ARG 25 1HB ARG 25 5.224 -5.753 1.411 13 1HG ARG 25 2HG ARG 25 3.709 -5.234 3.997 14 2HG ARG 25 1HG ARG 25 4.469 -6.727 3.495 15 1HD ARG 25 2HD ARG 25 6.713 -5.485 3.621 16 2HD ARG 25 1HD ARG 25 5.869 -4.189 4.461 17 HE ARG 25 HE ARG 25 5.028 -6.003 6.039 18 1HH1 ARG 25 1HH2 ARG 25 8.121 -6.137 4.494 19 2HH1 ARG 25 2HH2 ARG 25 8.829 -7.170 5.655 20 1HH2 ARG 25 2HH1 ARG 25 5.919 -7.317 7.631 21 2HH2 ARG 25 1HH1 ARG 25 7.545 -7.824 7.516 22 H HIS 26 H HIS 26 6.599 -4.318 0.183 23 HA HIS 26 HA HIS 26 8.881 -3.788 1.934 24 1HB HIS 26 2HB HIS 26 10.232 -4.528 -0.129 25 2HB HIS 26 1HB HIS 26 9.114 -5.740 0.457 26 HD1 HIS 26 HD1 HIS 26 6.991 -6.172 -1.046 27 HD2 HIS 26 HD2 HIS 26 9.698 -3.390 -2.556 28 HE1 HIS 26 HE1 HIS 26 6.436 -5.698 -3.427 29 H TYR 27 H TYR 27 7.557 -2.524 -0.906 30 HA TYR 27 HA TYR 27 8.961 -0.666 -2.100 31 1HB TYR 27 2HB TYR 27 6.234 -0.310 -0.868 32 2HB TYR 27 1HB TYR 27 6.993 1.098 -1.568 33 HD1 TYR 27 HD1 TYR 27 6.403 -2.545 -2.521 34 HD2 TYR 27 HD2 TYR 27 6.630 1.517 -3.791 35 HE1 TYR 27 HE1 TYR 27 5.767 -3.205 -4.771 36 HE2 TYR 27 HE2 TYR 27 5.991 0.845 -6.037 37 HH TYR 27 HH TYR 27 5.803 -0.988 -7.451 38 H LYS 28 H LYS 28 7.735 0.290 1.044 39 HA LYS 28 HA LYS 28 9.028 2.749 1.404 40 1HB LYS 28 2HB LYS 28 7.289 1.296 2.865 41 2HB LYS 28 1HB LYS 28 8.727 0.767 3.698 42 1HG LYS 28 2HG LYS 28 7.787 3.645 3.444 43 2HG LYS 28 1HG LYS 28 7.630 2.640 4.863 44 1HD LYS 28 2HD LYS 28 9.595 3.404 5.549 45 2HD LYS 28 1HD LYS 28 10.368 2.467 4.299 46 1HE LYS 28 2HE LYS 28 9.841 4.549 2.756 47 2HE LYS 28 1HE LYS 28 9.551 5.400 4.275 48 HZ LYS 28 HZ LYS 28 11.858 4.493 4.939 49 H ASN 29 H ASN 29 10.154 -0.388 2.402 50 HA ASN 29 HA ASN 29 12.776 0.453 3.163 51 1HB ASN 29 2HB ASN 29 11.369 -1.601 4.043 52 2HB ASN 29 1HB ASN 29 11.821 -2.388 2.551 53 1HD2 ASN 29 1HD2 ASN 29 14.703 -0.919 3.130 54 2HD2 ASN 29 2HD2 ASN 29 15.362 -2.046 4.212 55 H LEU 30 H LEU 30 11.600 0.278 0.286 56 HA LEU 30 HA LEU 30 14.103 -0.674 -1.060 57 1HB LEU 30 2HB LEU 30 12.398 -1.717 -2.239 58 2HB LEU 30 1HB LEU 30 11.177 -0.580 -1.772 59 HG LEU 30 HG LEU 30 12.101 1.048 -3.372 60 1HD1 LEU 30 1HD1 LEU 30 14.467 0.158 -3.512 61 2HD1 LEU 30 2HD1 LEU 30 13.755 0.209 -5.114 62 3HD1 LEU 30 3HD1 LEU 30 13.859 -1.317 -4.254 63 1HD2 LEU 30 1HD2 LEU 30 11.407 -1.669 -4.557 64 2HD2 LEU 30 2HD2 LEU 30 11.345 -0.150 -5.442 65 3HD2 LEU 30 3HD2 LEU 30 10.272 -0.412 -4.075 66 H LEU 31 H LEU 31 11.695 1.920 -1.021 67 HA LEU 31 HA LEU 31 13.070 3.944 -2.414 68 1HB LEU 31 2HB LEU 31 11.345 4.204 0.086 69 2HB LEU 31 1HB LEU 31 11.733 5.559 -0.947 70 HG LEU 31 HG LEU 31 10.050 3.098 -1.689 71 1HD1 LEU 31 1HD1 LEU 31 8.968 4.714 -0.120 72 2HD1 LEU 31 2HD1 LEU 31 8.182 4.757 -1.688 73 3HD1 LEU 31 3HD1 LEU 31 9.308 6.024 -1.231 74 1HD2 LEU 31 1HD2 LEU 31 11.267 4.008 -3.692 75 2HD2 LEU 31 2HD2 LEU 31 10.626 5.604 -3.334 76 3HD2 LEU 31 3HD2 LEU 31 9.547 4.299 -3.785 77 H GLU 32 H GLU 32 13.295 2.901 0.871 78 HA GLU 32 HA GLU 32 15.519 4.774 1.477 79 1HB GLU 32 2HB GLU 32 13.794 2.893 3.128 80 2HB GLU 32 1HB GLU 32 15.282 3.463 3.830 81 1HG GLU 32 2HG GLU 32 13.830 5.142 4.585 82 2HG GLU 32 1HG GLU 32 14.262 5.869 3.046 83 H ARG 33 H ARG 33 15.964 2.482 -0.420 84 HA ARG 33 HA ARG 33 17.951 0.910 1.192 85 1HB ARG 33 2HB ARG 33 17.718 -0.819 -0.322 86 2HB ARG 33 1HB ARG 33 16.158 -0.088 -0.474 87 1HG ARG 33 2HG ARG 33 16.716 -0.530 -2.696 88 2HG ARG 33 1HG ARG 33 17.093 1.164 -2.561 89 1HD ARG 33 2HD ARG 33 19.561 0.630 -2.392 90 2HD ARG 33 1HD ARG 33 19.158 -1.057 -2.112 91 HE ARG 33 HE ARG 33 18.453 0.342 -4.656 92 1HH1 ARG 33 1HH2 ARG 33 20.084 -2.307 -3.057 93 2HH1 ARG 33 2HH2 ARG 33 20.323 -3.200 -4.492 94 1HH2 ARG 33 2HH1 ARG 33 18.867 -0.787 -6.555 95 2HH2 ARG 33 1HH1 ARG 33 19.651 -2.308 -6.520 96 H GLN 34 H GLN 34 17.656 3.209 -1.331 97 HA GLN 34 HA GLN 34 20.010 3.272 -2.723 98 1HB GLN 34 2HB GLN 34 18.093 4.874 -2.978 99 2HB GLN 34 1HB GLN 34 18.600 5.715 -1.530 100 1HG GLN 34 2HG GLN 34 20.673 6.402 -2.557 101 2HG GLN 34 1HG GLN 34 20.367 5.452 -4.011 102 1HE2 GLN 34 1HE2 GLN 34 19.894 7.070 -5.625 103 2HE2 GLN 34 2HE2 GLN 34 18.794 8.338 -5.355 104 H ARG 35 H ARG 35 19.848 4.105 0.663 105 HA ARG 35 HA ARG 35 22.768 4.578 0.699 106 1HB ARG 35 2HB ARG 35 20.606 5.896 2.425 107 2HB ARG 35 1HB ARG 35 22.319 6.171 2.626 108 1HG ARG 35 2HG ARG 35 20.752 6.810 0.071 109 2HG ARG 35 1HG ARG 35 21.157 7.978 1.308 110 1HD ARG 35 2HD ARG 35 23.503 7.760 0.915 111 2HD ARG 35 1HD ARG 35 23.354 6.356 -0.095 112 HE ARG 35 HE ARG 35 22.543 9.146 -0.783 113 1HH1 ARG 35 1HH2 ARG 35 23.020 5.831 -1.776 114 2HH1 ARG 35 2HH2 ARG 35 23.112 6.199 -3.430 115 1HH2 ARG 35 2HH1 ARG 35 22.507 9.632 -2.958 116 2HH2 ARG 35 1HH1 ARG 35 22.717 8.403 -4.131 117 H TYR 36 H TYR 36 21.385 2.160 0.978 118 HA TYR 36 HA TYR 36 21.918 1.391 3.829 119 1HB TYR 36 2HB TYR 36 19.542 1.084 2.777 120 2HB TYR 36 1HB TYR 36 20.272 -0.124 1.733 121 HD1 TYR 36 HD1 TYR 36 21.535 -2.125 2.962 122 HD2 TYR 36 HD2 TYR 36 18.725 0.442 4.887 123 HE1 TYR 36 HE1 TYR 36 21.216 -3.784 4.713 124 HE2 TYR 36 HE2 TYR 36 18.415 -1.244 6.641 125 HH TYR 36 HH TYR 36 20.446 -3.941 7.025 126 1HT TYR 36 1HT TYR 36 24.255 1.473 3.016 127 2HT TYR 36 2HT TYR 36 24.837 0.118 2.167 Start of MODEL 12 1 HN AYA 24 H ALA 24 2.870 -0.983 3.133 2 HA AYA 24 HA ALA 24 3.547 -1.610 0.358 3 1HB AYA 24 1HB ALA 24 3.545 0.717 1.218 4 2HB AYA 24 2HB ALA 24 5.153 0.290 0.673 5 3HB AYA 24 3HB ALA 24 4.793 0.293 2.381 6 1HM AYA 24 1HA ALA 24 1.221 -1.947 4.175 7 2HM AYA 24 2HA ALA 24 1.118 -3.685 3.899 8 3HM AYA 24 3HA ALA 24 0.068 -2.587 3.007 9 H ARG 25 H ARG 25 3.969 -3.746 2.032 10 HA ARG 25 HA ARG 25 6.141 -4.617 3.194 11 1HB ARG 25 2HB ARG 25 4.180 -5.919 1.991 12 2HB ARG 25 1HB ARG 25 5.372 -6.238 0.753 13 1HG ARG 25 2HG ARG 25 6.937 -7.141 2.577 14 2HG ARG 25 1HG ARG 25 5.646 -6.893 3.734 15 1HD ARG 25 2HD ARG 25 5.565 -9.185 3.071 16 2HD ARG 25 1HD ARG 25 4.167 -8.409 2.301 17 HE ARG 25 HE ARG 25 6.209 -8.129 0.452 18 1HH1 ARG 25 1HH2 ARG 25 4.727 -10.787 2.105 19 2HH1 ARG 25 2HH2 ARG 25 5.044 -11.943 0.880 20 1HH2 ARG 25 2HH1 ARG 25 6.633 -9.539 -1.172 21 2HH2 ARG 25 1HH1 ARG 25 6.149 -11.181 -1.095 22 H HIS 26 H HIS 26 6.389 -4.372 -0.357 23 HA HIS 26 HA HIS 26 9.384 -4.225 0.005 24 1HB HIS 26 2HB HIS 26 7.943 -5.656 -2.281 25 2HB HIS 26 1HB HIS 26 9.678 -5.546 -2.072 26 HD1 HIS 26 HD1 HIS 26 9.020 -6.155 1.203 27 HD2 HIS 26 HD2 HIS 26 8.409 -8.415 -2.233 28 HE1 HIS 26 HE1 HIS 26 8.886 -8.584 1.830 29 H TYR 27 H TYR 27 7.689 -2.101 -0.069 30 HA TYR 27 HA TYR 27 8.397 -0.816 -2.690 31 1HB TYR 27 2HB TYR 27 5.811 -1.312 -1.791 32 2HB TYR 27 1HB TYR 27 6.088 0.253 -1.082 33 HD1 TYR 27 HD1 TYR 27 6.550 -1.434 -4.383 34 HD2 TYR 27 HD2 TYR 27 5.477 2.131 -2.320 35 HE1 TYR 27 HE1 TYR 27 5.968 -0.363 -6.510 36 HE2 TYR 27 HE2 TYR 27 4.901 3.186 -4.442 37 HH TYR 27 HH TYR 27 4.135 2.340 -6.792 38 H LYS 28 H LYS 28 7.348 0.014 0.554 39 HA LYS 28 HA LYS 28 8.582 2.504 0.831 40 1HB LYS 28 2HB LYS 28 7.025 1.170 2.454 41 2HB LYS 28 1HB LYS 28 8.474 0.432 3.099 42 1HG LYS 28 2HG LYS 28 7.894 3.428 3.006 43 2HG LYS 28 1HG LYS 28 7.641 2.425 4.411 44 1HD LYS 28 2HD LYS 28 9.767 2.767 5.042 45 2HD LYS 28 1HD LYS 28 10.350 1.964 3.611 46 1HE LYS 28 2HE LYS 28 10.117 4.179 2.379 47 2HE LYS 28 1HE LYS 28 9.731 4.938 3.926 48 HZ LYS 28 HZ LYS 28 11.958 3.829 4.691 49 H ASN 29 H ASN 29 10.054 -0.513 1.920 50 HA ASN 29 HA ASN 29 12.630 0.663 2.321 51 1HB ASN 29 2HB ASN 29 11.827 -2.286 2.026 52 2HB ASN 29 1HB ASN 29 13.427 -1.760 2.494 53 1HD2 ASN 29 1HD2 ASN 29 11.301 0.457 3.919 54 2HD2 ASN 29 2HD2 ASN 29 11.155 -0.335 5.417 55 H LEU 30 H LEU 30 11.631 1.018 -0.517 56 HA LEU 30 HA LEU 30 13.917 -0.263 -1.938 57 1HB LEU 30 2HB LEU 30 11.896 -0.604 -3.264 58 2HB LEU 30 1HB LEU 30 11.202 0.911 -2.746 59 HG LEU 30 HG LEU 30 12.594 2.184 -4.001 60 1HD1 LEU 30 1HD1 LEU 30 13.939 -0.401 -5.031 61 2HD1 LEU 30 2HD1 LEU 30 14.726 0.837 -4.055 62 3HD1 LEU 30 3HD1 LEU 30 14.247 1.190 -5.705 63 1HD2 LEU 30 1HD2 LEU 30 10.583 1.346 -5.156 64 2HD2 LEU 30 2HD2 LEU 30 11.424 -0.101 -5.683 65 3HD2 LEU 30 3HD2 LEU 30 11.867 1.458 -6.340 66 H LEU 31 H LEU 31 12.104 2.841 -1.620 67 HA LEU 31 HA LEU 31 14.202 4.537 -2.428 68 1HB LEU 31 2HB LEU 31 11.883 4.906 -0.474 69 2HB LEU 31 1HB LEU 31 12.997 6.220 -0.779 70 HG LEU 31 HG LEU 31 11.522 4.765 -3.054 71 1HD1 LEU 31 1HD1 LEU 31 10.742 7.357 -1.632 72 2HD1 LEU 31 2HD1 LEU 31 9.861 5.846 -1.521 73 3HD1 LEU 31 3HD1 LEU 31 9.939 6.699 -3.050 74 1HD2 LEU 31 1HD2 LEU 31 12.125 6.829 -4.315 75 2HD2 LEU 31 2HD2 LEU 31 13.589 6.116 -3.677 76 3HD2 LEU 31 3HD2 LEU 31 12.876 7.515 -2.894 77 H GLU 32 H GLU 32 13.702 2.875 0.578 78 HA GLU 32 HA GLU 32 16.068 4.240 1.799 79 1HB GLU 32 2HB GLU 32 13.928 2.405 2.984 80 2HB GLU 32 1HB GLU 32 15.356 2.812 3.889 81 1HG GLU 32 2HG GLU 32 13.963 4.526 4.626 82 2HG GLU 32 1HG GLU 32 14.586 5.337 3.202 83 H ARG 33 H ARG 33 16.267 2.097 -0.359 84 HA ARG 33 HA ARG 33 17.820 0.074 1.217 85 1HB ARG 33 2HB ARG 33 17.584 -1.344 -0.684 86 2HB ARG 33 1HB ARG 33 16.038 -0.600 -0.420 87 1HG ARG 33 2HG ARG 33 16.079 -0.142 -2.638 88 2HG ARG 33 1HG ARG 33 17.092 1.200 -2.167 89 1HD ARG 33 2HD ARG 33 18.227 -0.003 -3.958 90 2HD ARG 33 1HD ARG 33 19.115 -0.197 -2.478 91 HE ARG 33 HE ARG 33 18.244 -2.425 -2.182 92 1HH1 ARG 33 1HH2 ARG 33 17.437 -0.977 -5.197 93 2HH1 ARG 33 2HH2 ARG 33 17.161 -2.451 -6.014 94 1HH2 ARG 33 2HH1 ARG 33 17.858 -4.411 -3.173 95 2HH2 ARG 33 1HH1 ARG 33 17.382 -4.449 -4.808 96 H GLN 34 H GLN 34 18.193 2.820 -0.524 97 HA GLN 34 HA GLN 34 21.034 2.331 -1.334 98 1HB GLN 34 2HB GLN 34 19.107 4.630 -1.995 99 2HB GLN 34 1HB GLN 34 20.755 4.532 -2.577 100 1HG GLN 34 2HG GLN 34 20.243 2.475 -3.832 101 2HG GLN 34 1HG GLN 34 18.618 2.418 -3.156 102 1HE2 GLN 34 1HE2 GLN 34 20.384 3.573 -5.876 103 2HE2 GLN 34 2HE2 GLN 34 19.190 4.679 -6.396 104 H ARG 35 H ARG 35 19.061 4.712 0.442 105 HA ARG 35 HA ARG 35 21.496 5.541 1.910 106 1HB ARG 35 2HB ARG 35 18.882 6.987 1.257 107 2HB ARG 35 1HB ARG 35 19.927 7.569 2.528 108 1HG ARG 35 2HG ARG 35 20.934 7.152 -0.346 109 2HG ARG 35 1HG ARG 35 20.241 8.664 0.201 110 1HD ARG 35 2HD ARG 35 22.028 8.861 1.966 111 2HD ARG 35 1HD ARG 35 22.663 7.317 1.487 112 HE ARG 35 HE ARG 35 23.350 8.168 -0.628 113 1HH1 ARG 35 1HH2 ARG 35 22.263 10.589 1.576 114 2HH1 ARG 35 2HH2 ARG 35 23.093 11.886 0.827 115 1HH2 ARG 35 2HH1 ARG 35 24.451 9.812 -1.675 116 2HH2 ARG 35 1HH1 ARG 35 24.366 11.422 -1.113 117 H TYR 36 H TYR 36 20.337 3.243 2.368 118 HA TYR 36 HA TYR 36 18.860 1.987 3.799 119 1HB TYR 36 2HB TYR 36 21.358 2.881 5.229 120 2HB TYR 36 1HB TYR 36 20.407 1.468 5.669 121 HD1 TYR 36 HD1 TYR 36 22.193 3.016 2.725 122 HD2 TYR 36 HD2 TYR 36 20.920 -0.577 4.623 123 HE1 TYR 36 HE1 TYR 36 23.384 1.723 1.054 124 HE2 TYR 36 HE2 TYR 36 22.136 -1.869 2.943 125 HH TYR 36 HH TYR 36 23.105 -0.720 0.114 126 1HT TYR 36 1HT TYR 36 20.170 3.983 6.462 127 2HT TYR 36 2HT TYR 36 18.631 4.346 7.088 Start of MODEL 13 1 HN AYA 24 H ALA 24 1.585 -4.916 -0.376 2 HA AYA 24 HA ALA 24 3.268 -2.612 -1.263 3 1HB AYA 24 1HB ALA 24 1.615 -2.968 1.297 4 2HB AYA 24 2HB ALA 24 1.115 -2.060 -0.121 5 3HB AYA 24 3HB ALA 24 2.485 -1.520 0.829 6 1HM AYA 24 1HA ALA 24 0.942 -6.376 -1.849 7 2HM AYA 24 2HA ALA 24 2.278 -6.797 -2.929 8 3HM AYA 24 3HA ALA 24 0.982 -5.755 -3.499 9 H ARG 25 H ARG 25 2.925 -4.735 1.411 10 HA ARG 25 HA ARG 25 4.425 -5.056 3.273 11 1HB ARG 25 2HB ARG 25 5.606 -6.712 1.010 12 2HB ARG 25 1HB ARG 25 5.539 -7.129 2.709 13 1HG ARG 25 2HG ARG 25 2.982 -7.092 2.540 14 2HG ARG 25 1HG ARG 25 3.153 -6.843 0.812 15 1HD ARG 25 2HD ARG 25 4.595 -9.011 0.809 16 2HD ARG 25 1HD ARG 25 3.980 -9.303 2.414 17 HE ARG 25 HE ARG 25 2.347 -9.036 -0.085 18 1HH1 ARG 25 1HH2 ARG 25 2.609 -10.249 3.161 19 2HH1 ARG 25 2HH2 ARG 25 1.161 -11.150 3.080 20 1HH2 ARG 25 2HH1 ARG 25 0.467 -10.192 -0.220 21 2HH2 ARG 25 1HH1 ARG 25 -0.092 -11.120 1.102 22 H HIS 26 H HIS 26 6.596 -4.706 0.449 23 HA HIS 26 HA HIS 26 8.458 -3.128 2.142 24 1HB HIS 26 2HB HIS 26 8.923 -5.879 1.116 25 2HB HIS 26 1HB HIS 26 10.170 -4.763 0.580 26 HD1 HIS 26 HD1 HIS 26 8.327 -4.648 3.886 27 HD2 HIS 26 HD2 HIS 26 12.140 -5.258 2.327 28 HE1 HIS 26 HE1 HIS 26 9.973 -4.783 5.765 29 H TYR 27 H TYR 27 7.126 -1.657 0.768 30 HA TYR 27 HA TYR 27 8.354 -1.253 -1.916 31 1HB TYR 27 2HB TYR 27 6.400 0.007 -2.487 32 2HB TYR 27 1HB TYR 27 5.831 -1.460 -1.723 33 HD1 TYR 27 HD1 TYR 27 5.327 -1.183 0.952 34 HD2 TYR 27 HD2 TYR 27 5.440 2.025 -1.854 35 HE1 TYR 27 HE1 TYR 27 4.010 0.181 2.462 36 HE2 TYR 27 HE2 TYR 27 4.102 3.387 -0.323 37 HH TYR 27 HH TYR 27 3.292 2.330 2.909 38 H LYS 28 H LYS 28 7.104 0.786 0.686 39 HA LYS 28 HA LYS 28 8.532 3.119 0.085 40 1HB LYS 28 2HB LYS 28 6.768 2.979 1.894 41 2HB LYS 28 1HB LYS 28 7.856 2.034 2.892 42 1HG LYS 28 2HG LYS 28 8.695 4.798 1.922 43 2HG LYS 28 1HG LYS 28 7.653 4.644 3.315 44 1HD LYS 28 2HD LYS 28 9.285 3.546 4.601 45 2HD LYS 28 1HD LYS 28 10.258 3.050 3.251 46 1HE LYS 28 2HE LYS 28 10.592 5.644 2.852 47 2HE LYS 28 1HE LYS 28 10.073 5.772 4.535 48 HZ LYS 28 HZ LYS 28 11.889 4.175 5.118 49 H ASN 29 H ASN 29 9.559 0.327 1.945 50 HA ASN 29 HA ASN 29 12.096 1.386 2.688 51 1HB ASN 29 2HB ASN 29 10.950 -0.766 3.644 52 2HB ASN 29 1HB ASN 29 11.710 -1.609 2.289 53 1HD2 ASN 29 1HD2 ASN 29 13.782 -2.441 2.947 54 2HD2 ASN 29 2HD2 ASN 29 14.797 -1.639 4.062 55 H LEU 30 H LEU 30 11.451 1.281 -0.278 56 HA LEU 30 HA LEU 30 14.040 0.132 -1.339 57 1HB LEU 30 2HB LEU 30 11.651 1.405 -2.795 58 2HB LEU 30 1HB LEU 30 12.994 0.588 -3.575 59 HG LEU 30 HG LEU 30 11.237 -0.697 -1.503 60 1HD1 LEU 30 1HD1 LEU 30 9.878 -0.058 -3.526 61 2HD1 LEU 30 2HD1 LEU 30 10.066 -1.799 -3.504 62 3HD1 LEU 30 3HD1 LEU 30 11.049 -0.821 -4.585 63 1HD2 LEU 30 1HD2 LEU 30 12.110 -2.834 -2.486 64 2HD2 LEU 30 2HD2 LEU 30 13.404 -1.845 -1.846 65 3HD2 LEU 30 3HD2 LEU 30 13.130 -1.911 -3.583 66 H LEU 31 H LEU 31 12.028 2.926 -0.816 67 HA LEU 31 HA LEU 31 13.822 4.875 -1.927 68 1HB LEU 31 2HB LEU 31 11.835 5.121 0.407 69 2HB LEU 31 1HB LEU 31 12.463 6.458 -0.526 70 HG LEU 31 HG LEU 31 10.740 4.176 -1.683 71 1HD1 LEU 31 1HD1 LEU 31 9.465 5.665 -0.136 72 2HD1 LEU 31 2HD1 LEU 31 8.949 5.916 -1.795 73 3HD1 LEU 31 3HD1 LEU 31 10.018 7.076 -1.020 74 1HD2 LEU 31 1HD2 LEU 31 11.655 6.821 -2.923 75 2HD2 LEU 31 2HD2 LEU 31 10.612 5.639 -3.689 76 3HD2 LEU 31 3HD2 LEU 31 12.284 5.242 -3.362 77 H GLU 32 H GLU 32 13.678 2.867 0.827 78 HA GLU 32 HA GLU 32 15.935 4.342 2.161 79 1HB GLU 32 2HB GLU 32 13.884 2.329 3.162 80 2HB GLU 32 1HB GLU 32 15.393 2.430 4.016 81 1HG GLU 32 2HG GLU 32 13.956 3.945 5.185 82 2HG GLU 32 1HG GLU 32 14.928 5.010 4.188 83 H ARG 33 H ARG 33 16.279 2.734 -0.267 84 HA ARG 33 HA ARG 33 17.971 0.513 0.782 85 1HB ARG 33 2HB ARG 33 16.661 1.065 -1.881 86 2HB ARG 33 1HB ARG 33 18.061 0.058 -1.889 87 1HG ARG 33 2HG ARG 33 15.696 -0.473 -0.106 88 2HG ARG 33 1HG ARG 33 15.878 -1.179 -1.699 89 1HD ARG 33 2HD ARG 33 18.262 -1.957 -0.744 90 2HD ARG 33 1HD ARG 33 17.522 -1.655 0.817 91 HE ARG 33 HE ARG 33 16.362 -3.454 -1.274 92 1HH1 ARG 33 1HH2 ARG 33 17.032 -2.848 2.092 93 2HH1 ARG 33 2HH2 ARG 33 16.329 -4.329 2.612 94 1HH2 ARG 33 2HH1 ARG 33 15.427 -5.327 -0.616 95 2HH2 ARG 33 1HH1 ARG 33 15.400 -5.771 1.032 96 H GLN 34 H GLN 34 18.334 2.892 -1.813 97 HA GLN 34 HA GLN 34 20.773 2.859 -2.719 98 1HB GLN 34 2HB GLN 34 19.558 5.331 -1.417 99 2HB GLN 34 1HB GLN 34 21.053 5.371 -2.341 100 1HG GLN 34 2HG GLN 34 19.742 4.298 -4.287 101 2HG GLN 34 1HG GLN 34 18.283 4.644 -3.376 102 1HE2 GLN 34 1HE2 GLN 34 20.353 7.210 -2.583 103 2HE2 GLN 34 2HE2 GLN 34 19.838 8.242 -3.828 104 H ARG 35 H ARG 35 20.379 4.217 0.479 105 HA ARG 35 HA ARG 35 23.021 3.154 1.196 106 1HB ARG 35 2HB ARG 35 23.184 5.464 0.046 107 2HB ARG 35 1HB ARG 35 22.450 6.121 1.501 108 1HG ARG 35 2HG ARG 35 24.287 5.728 2.828 109 2HG ARG 35 1HG ARG 35 24.835 4.350 1.882 110 1HD ARG 35 2HD ARG 35 25.501 5.854 0.018 111 2HD ARG 35 1HD ARG 35 24.842 7.220 0.933 112 HE ARG 35 HE ARG 35 26.974 5.535 2.145 113 1HH1 ARG 35 1HH2 ARG 35 26.028 8.554 0.748 114 2HH1 ARG 35 2HH2 ARG 35 27.356 9.435 1.361 115 1HH2 ARG 35 2HH1 ARG 35 28.763 6.620 2.943 116 2HH2 ARG 35 1HH1 ARG 35 28.979 8.284 2.629 117 H TYR 36 H TYR 36 20.607 2.366 2.152 118 HA TYR 36 HA TYR 36 20.860 3.132 5.023 119 1HB TYR 36 2HB TYR 36 18.551 3.634 3.256 120 2HB TYR 36 1HB TYR 36 18.066 2.613 4.586 121 HD1 TYR 36 HD1 TYR 36 19.089 3.398 6.980 122 HD2 TYR 36 HD2 TYR 36 18.485 5.968 3.634 123 HE1 TYR 36 HE1 TYR 36 19.054 5.343 8.472 124 HE2 TYR 36 HE2 TYR 36 18.444 7.894 5.134 125 HH TYR 36 HH TYR 36 19.392 8.457 7.455 126 1HT TYR 36 1HT TYR 36 18.851 1.311 5.993 127 2HT TYR 36 2HT TYR 36 19.388 -0.255 5.604 Start of MODEL 14 1 HN AYA 24 H ALA 24 0.836 -2.046 -0.331 2 HA AYA 24 HA ALA 24 3.557 -1.163 -1.040 3 1HB AYA 24 1HB ALA 24 1.636 0.424 -1.230 4 2HB AYA 24 2HB ALA 24 2.792 1.009 -0.040 5 3HB AYA 24 3HB ALA 24 1.311 0.235 0.488 6 1HM AYA 24 1HA ALA 24 0.066 -3.954 -1.032 7 2HM AYA 24 2HA ALA 24 1.235 -5.262 -0.854 8 3HM AYA 24 3HA ALA 24 0.954 -4.543 -2.439 9 H ARG 25 H ARG 25 4.009 -3.150 0.321 10 HA ARG 25 HA ARG 25 4.650 -2.266 3.123 11 1HB ARG 25 2HB ARG 25 3.208 -4.165 3.399 12 2HB ARG 25 1HB ARG 25 3.898 -5.033 2.051 13 1HG ARG 25 2HG ARG 25 4.602 -5.986 4.272 14 2HG ARG 25 1HG ARG 25 5.966 -5.481 3.317 15 1HD ARG 25 2HD ARG 25 6.650 -3.953 4.878 16 2HD ARG 25 1HD ARG 25 5.051 -3.258 5.053 17 HE ARG 25 HE ARG 25 4.439 -5.176 6.482 18 1HH1 ARG 25 1HH2 ARG 25 7.821 -4.408 6.201 19 2HH1 ARG 25 2HH2 ARG 25 8.239 -5.183 7.670 20 1HH2 ARG 25 2HH1 ARG 25 4.943 -6.147 8.397 21 2HH2 ARG 25 1HH1 ARG 25 6.551 -6.174 8.972 22 H HIS 26 H HIS 26 5.722 -4.392 0.515 23 HA HIS 26 HA HIS 26 8.504 -4.137 1.484 24 1HB HIS 26 2HB HIS 26 7.331 -5.833 -0.774 25 2HB HIS 26 1HB HIS 26 8.997 -5.886 -0.246 26 HD1 HIS 26 HD1 HIS 26 5.586 -6.980 0.846 27 HD2 HIS 26 HD2 HIS 26 9.517 -7.014 2.199 28 HE1 HIS 26 HE1 HIS 26 5.761 -8.506 2.800 29 H TYR 27 H TYR 27 7.326 -1.858 0.551 30 HA TYR 27 HA TYR 27 8.634 -1.304 -2.098 31 1HB TYR 27 2HB TYR 27 5.996 -0.901 -1.373 32 2HB TYR 27 1HB TYR 27 6.655 0.648 -0.903 33 HD1 TYR 27 HD1 TYR 27 8.435 1.570 -2.893 34 HD2 TYR 27 HD2 TYR 27 5.021 -0.930 -3.443 35 HE1 TYR 27 HE1 TYR 27 8.248 2.306 -5.228 36 HE2 TYR 27 HE2 TYR 27 4.849 -0.198 -5.752 37 HH TYR 27 HH TYR 27 5.527 1.388 -7.249 38 H LYS 28 H LYS 28 7.849 0.093 0.994 39 HA LYS 28 HA LYS 28 9.393 2.351 1.256 40 1HB LYS 28 2HB LYS 28 7.844 1.371 2.978 41 2HB LYS 28 1HB LYS 28 9.030 0.138 3.347 42 1HG LYS 28 2HG LYS 28 9.396 1.736 5.012 43 2HG LYS 28 1HG LYS 28 10.642 2.117 3.856 44 1HD LYS 28 2HD LYS 28 8.960 3.843 2.855 45 2HD LYS 28 1HD LYS 28 8.005 3.564 4.299 46 1HE LYS 28 2HE LYS 28 9.442 5.382 4.879 47 2HE LYS 28 1HE LYS 28 10.223 3.992 5.620 48 HZ LYS 28 HZ LYS 28 11.017 5.248 3.030 49 H ASN 29 H ASN 29 10.361 -0.807 2.116 50 HA ASN 29 HA ASN 29 13.017 -0.567 2.704 51 1HB ASN 29 2HB ASN 29 13.095 -3.136 1.954 52 2HB ASN 29 1HB ASN 29 11.920 -2.711 3.194 53 1HD2 ASN 29 1HD2 ASN 29 12.045 -4.338 0.145 54 2HD2 ASN 29 2HD2 ASN 29 10.408 -4.118 -0.234 55 H LEU 30 H LEU 30 11.836 -0.187 -0.205 56 HA LEU 30 HA LEU 30 14.462 -0.619 -1.663 57 1HB LEU 30 2HB LEU 30 12.869 -1.631 -3.058 58 2HB LEU 30 1HB LEU 30 11.531 -0.743 -2.400 59 HG LEU 30 HG LEU 30 12.209 1.248 -3.671 60 1HD1 LEU 30 1HD1 LEU 30 14.284 -0.638 -4.936 61 2HD1 LEU 30 2HD1 LEU 30 14.670 0.776 -3.968 62 3HD1 LEU 30 3HD1 LEU 30 13.912 0.968 -5.536 63 1HD2 LEU 30 1HD2 LEU 30 11.503 0.361 -5.912 64 2HD2 LEU 30 2HD2 LEU 30 10.545 -0.297 -4.603 65 3HD2 LEU 30 3HD2 LEU 30 11.806 -1.269 -5.346 66 H LEU 31 H LEU 31 11.798 1.699 -1.405 67 HA LEU 31 HA LEU 31 13.081 3.946 -2.491 68 1HB LEU 31 2HB LEU 31 11.125 3.835 -0.145 69 2HB LEU 31 1HB LEU 31 11.494 5.281 -1.063 70 HG LEU 31 HG LEU 31 10.345 2.745 -2.346 71 1HD1 LEU 31 1HD1 LEU 31 8.724 3.760 -0.738 72 2HD1 LEU 31 2HD1 LEU 31 8.199 4.006 -2.393 73 3HD1 LEU 31 3HD1 LEU 31 8.937 5.326 -1.509 74 1HD2 LEU 31 1HD2 LEU 31 10.591 5.627 -3.359 75 2HD2 LEU 31 2HD2 LEU 31 9.857 4.300 -4.234 76 3HD2 LEU 31 3HD2 LEU 31 11.575 4.285 -3.932 77 H GLU 32 H GLU 32 13.600 2.525 0.564 78 HA GLU 32 HA GLU 32 15.342 4.797 1.437 79 1HB GLU 32 2HB GLU 32 13.954 2.477 2.822 80 2HB GLU 32 1HB GLU 32 15.147 3.416 3.683 81 1HG GLU 32 2HG GLU 32 13.839 5.463 3.402 82 2HG GLU 32 1HG GLU 32 12.861 4.772 2.123 83 H ARG 33 H ARG 33 15.908 2.290 -0.379 84 HA ARG 33 HA ARG 33 18.130 0.923 0.790 85 1HB ARG 33 2HB ARG 33 17.241 1.436 -2.093 86 2HB ARG 33 1HB ARG 33 18.521 0.317 -1.771 87 1HG ARG 33 2HG ARG 33 15.903 0.049 -0.520 88 2HG ARG 33 1HG ARG 33 16.389 -0.719 -2.037 89 1HD ARG 33 2HD ARG 33 18.386 -1.728 -0.577 90 2HD ARG 33 1HD ARG 33 17.438 -1.160 0.772 91 HE ARG 33 HE ARG 33 15.608 -2.511 0.195 92 1HH1 ARG 33 1HH2 ARG 33 18.384 -3.033 -1.786 93 2HH1 ARG 33 2HH2 ARG 33 17.919 -4.585 -2.339 94 1HH2 ARG 33 2HH1 ARG 33 14.932 -4.543 -0.511 95 2HH2 ARG 33 1HH1 ARG 33 15.874 -5.460 -1.609 96 H GLN 34 H GLN 34 18.184 3.454 -1.617 97 HA GLN 34 HA GLN 34 20.591 4.163 -2.299 98 1HB GLN 34 2HB GLN 34 18.314 5.527 -2.294 99 2HB GLN 34 1HB GLN 34 19.003 6.342 -0.911 100 1HG GLN 34 2HG GLN 34 20.443 6.225 -3.602 101 2HG GLN 34 1HG GLN 34 19.364 7.528 -3.147 102 1HE2 GLN 34 1HE2 GLN 34 22.455 7.428 -3.563 103 2HE2 GLN 34 2HE2 GLN 34 23.015 8.154 -2.131 104 H ARG 35 H ARG 35 19.774 4.505 1.074 105 HA ARG 35 HA ARG 35 22.462 5.524 1.709 106 1HB ARG 35 2HB ARG 35 20.016 5.281 3.500 107 2HB ARG 35 1HB ARG 35 21.498 6.132 3.906 108 1HG ARG 35 2HG ARG 35 21.105 7.742 2.060 109 2HG ARG 35 1HG ARG 35 19.698 6.846 1.539 110 1HD ARG 35 2HD ARG 35 18.953 8.767 2.875 111 2HD ARG 35 1HD ARG 35 18.594 7.275 3.727 112 HE ARG 35 HE ARG 35 21.078 8.869 4.256 113 1HH1 ARG 35 1HH2 ARG 35 18.242 7.299 5.497 114 2HH1 ARG 35 2HH2 ARG 35 18.661 7.524 7.140 115 1HH2 ARG 35 2HH1 ARG 35 21.652 9.214 6.370 116 2HH2 ARG 35 1HH1 ARG 35 20.676 8.644 7.652 117 H TYR 36 H TYR 36 20.241 3.054 2.608 118 HA TYR 36 HA TYR 36 22.430 1.382 3.800 119 1HB TYR 36 2HB TYR 36 20.586 2.364 5.395 120 2HB TYR 36 1HB TYR 36 19.491 1.227 4.626 121 HD1 TYR 36 HD1 TYR 36 20.362 -1.324 4.554 122 HD2 TYR 36 HD2 TYR 36 21.832 1.641 7.248 123 HE1 TYR 36 HE1 TYR 36 21.196 -3.073 6.047 124 HE2 TYR 36 HE2 TYR 36 22.656 -0.121 8.726 125 HH TYR 36 HH TYR 36 22.115 -2.553 9.201 126 1HT TYR 36 1HT TYR 36 22.619 0.707 1.505 127 2HT TYR 36 2HT TYR 36 21.521 -0.436 0.873 Start of MODEL 15 1 HN AYA 24 H ALA 24 1.860 -1.001 1.308 2 HA AYA 24 HA ALA 24 4.367 -1.042 -0.098 3 1HB AYA 24 1HB ALA 24 5.044 0.695 1.588 4 2HB AYA 24 2HB ALA 24 3.601 0.340 2.513 5 3HB AYA 24 3HB ALA 24 3.463 1.042 0.908 6 1HM AYA 24 1HA ALA 24 0.549 -3.929 0.656 7 2HM AYA 24 2HA ALA 24 0.340 -2.985 -0.814 8 3HM AYA 24 3HA ALA 24 0.139 -2.219 0.760 9 H ARG 25 H ARG 25 4.595 -3.464 0.396 10 HA ARG 25 HA ARG 25 5.988 -3.960 2.981 11 1HB ARG 25 2HB ARG 25 4.860 -5.820 0.832 12 2HB ARG 25 1HB ARG 25 6.065 -6.405 1.942 13 1HG ARG 25 2HG ARG 25 3.963 -6.946 2.915 14 2HG ARG 25 1HG ARG 25 4.635 -5.651 3.871 15 1HD ARG 25 2HD ARG 25 2.334 -4.985 3.559 16 2HD ARG 25 1HD ARG 25 3.225 -4.051 2.409 17 HE ARG 25 HE ARG 25 2.517 -5.426 0.607 18 1HH1 ARG 25 1HH2 ARG 25 1.229 -6.380 3.680 19 2HH1 ARG 25 2HH2 ARG 25 -0.059 -7.312 3.055 20 1HH2 ARG 25 2HH1 ARG 25 0.851 -6.679 -0.295 21 2HH2 ARG 25 1HH1 ARG 25 -0.255 -7.508 0.719 22 H HIS 26 H HIS 26 6.601 -4.094 -0.505 23 HA HIS 26 HA HIS 26 9.519 -4.180 0.186 24 1HB HIS 26 2HB HIS 26 8.448 -6.312 -0.927 25 2HB HIS 26 1HB HIS 26 8.312 -5.321 -2.368 26 HD1 HIS 26 HD1 HIS 26 10.099 -7.708 -2.559 27 HD2 HIS 26 HD2 HIS 26 11.458 -3.977 -1.315 28 HE1 HIS 26 HE1 HIS 26 12.562 -7.569 -2.928 29 H TYR 27 H TYR 27 7.930 -1.886 -0.023 30 HA TYR 27 HA TYR 27 8.981 -0.666 -2.573 31 1HB TYR 27 2HB TYR 27 6.360 -0.840 -2.184 32 2HB TYR 27 1HB TYR 27 6.588 0.466 -1.041 33 HD1 TYR 27 HD1 TYR 27 7.550 -0.467 -4.545 34 HD2 TYR 27 HD2 TYR 27 6.462 2.681 -1.875 35 HE1 TYR 27 HE1 TYR 27 7.571 1.114 -6.404 36 HE2 TYR 27 HE2 TYR 27 6.478 4.258 -3.752 37 HH TYR 27 HH TYR 27 7.162 3.267 -7.059 38 H LYS 28 H LYS 28 7.834 0.326 0.603 39 HA LYS 28 HA LYS 28 9.289 2.662 0.953 40 1HB LYS 28 2HB LYS 28 7.588 1.648 2.617 41 2HB LYS 28 1HB LYS 28 8.847 0.554 3.151 42 1HG LYS 28 2HG LYS 28 8.884 2.370 4.683 43 2HG LYS 28 1HG LYS 28 10.263 2.660 3.645 44 1HD LYS 28 2HD LYS 28 8.552 4.115 2.214 45 2HD LYS 28 1HD LYS 28 7.566 4.031 3.656 46 1HE LYS 28 2HE LYS 28 8.911 6.030 3.793 47 2HE LYS 28 1HE LYS 28 9.539 4.875 4.969 48 HZ LYS 28 HZ LYS 28 10.728 5.181 2.232 49 H ASN 29 H ASN 29 10.196 -0.537 1.861 50 HA ASN 29 HA ASN 29 12.850 0.040 2.664 51 1HB ASN 29 2HB ASN 29 11.814 -2.662 1.669 52 2HB ASN 29 1HB ASN 29 13.137 -2.417 2.793 53 1HD2 ASN 29 1HD2 ASN 29 12.515 -2.636 4.990 54 2HD2 ASN 29 2HD2 ASN 29 10.913 -2.409 5.522 55 H LEU 30 H LEU 30 11.837 0.286 -0.267 56 HA LEU 30 HA LEU 30 14.356 -0.648 -1.570 57 1HB LEU 30 2HB LEU 30 12.648 -1.470 -2.962 58 2HB LEU 30 1HB LEU 30 11.473 -0.315 -2.451 59 HG LEU 30 HG LEU 30 12.545 1.415 -3.798 60 1HD1 LEU 30 1HD1 LEU 30 14.272 0.711 -5.523 61 2HD1 LEU 30 2HD1 LEU 30 14.277 -0.904 -4.833 62 3HD1 LEU 30 3HD1 LEU 30 14.884 0.458 -3.906 63 1HD2 LEU 30 1HD2 LEU 30 11.778 -1.131 -5.303 64 2HD2 LEU 30 2HD2 LEU 30 11.815 0.475 -6.022 65 3HD2 LEU 30 3HD2 LEU 30 10.679 0.119 -4.725 66 H LEU 31 H LEU 31 12.064 2.035 -1.583 67 HA LEU 31 HA LEU 31 13.786 4.065 -2.577 68 1HB LEU 31 2HB LEU 31 11.550 4.400 -0.537 69 2HB LEU 31 1HB LEU 31 12.170 5.648 -1.607 70 HG LEU 31 HG LEU 31 10.793 3.074 -2.582 71 1HD1 LEU 31 1HD1 LEU 31 9.734 5.911 -2.380 72 2HD1 LEU 31 2HD1 LEU 31 9.224 4.553 -1.397 73 3HD1 LEU 31 3HD1 LEU 31 8.898 4.556 -3.119 74 1HD2 LEU 31 1HD2 LEU 31 11.605 5.603 -4.103 75 2HD2 LEU 31 2HD2 LEU 31 10.743 4.237 -4.778 76 3HD2 LEU 31 3HD2 LEU 31 12.407 4.053 -4.252 77 H GLU 32 H GLU 32 13.307 2.873 0.617 78 HA GLU 32 HA GLU 32 15.382 4.735 1.717 79 1HB GLU 32 2HB GLU 32 13.291 2.928 3.039 80 2HB GLU 32 1HB GLU 32 14.526 3.790 3.945 81 1HG GLU 32 2HG GLU 32 13.705 5.912 3.333 82 2HG GLU 32 1HG GLU 32 12.800 5.307 1.966 83 H ARG 33 H ARG 33 15.760 2.314 0.009 84 HA ARG 33 HA ARG 33 17.482 0.632 1.796 85 1HB ARG 33 2HB ARG 33 17.233 -1.104 0.225 86 2HB ARG 33 1HB ARG 33 15.850 -0.157 -0.224 87 1HG ARG 33 2HG ARG 33 16.792 -0.854 -2.230 88 2HG ARG 33 1HG ARG 33 17.031 0.856 -2.164 89 1HD ARG 33 2HD ARG 33 19.437 0.509 -1.519 90 2HD ARG 33 1HD ARG 33 19.231 -1.207 -1.508 91 HE ARG 33 HE ARG 33 19.136 0.636 -3.848 92 1HH1 ARG 33 1HH2 ARG 33 18.966 -2.594 -2.663 93 2HH1 ARG 33 2HH2 ARG 33 19.392 -3.347 -4.148 94 1HH2 ARG 33 2HH1 ARG 33 19.547 -0.277 -5.876 95 2HH2 ARG 33 1HH1 ARG 33 19.659 -1.972 -6.049 96 H GLN 34 H GLN 34 17.279 2.512 -1.045 97 HA GLN 34 HA GLN 34 19.560 2.859 -2.349 98 1HB GLN 34 2HB GLN 34 17.620 4.544 -2.307 99 2HB GLN 34 1HB GLN 34 18.348 5.301 -0.918 100 1HG GLN 34 2HG GLN 34 20.414 5.768 -2.271 101 2HG GLN 34 1HG GLN 34 19.620 5.075 -3.683 102 1HE2 GLN 34 1HE2 GLN 34 18.277 6.539 -4.851 103 2HE2 GLN 34 2HE2 GLN 34 17.781 8.040 -4.230 104 H ARG 35 H ARG 35 19.231 4.480 0.712 105 HA ARG 35 HA ARG 35 21.459 3.552 2.092 106 1HB ARG 35 2HB ARG 35 22.660 4.871 0.027 107 2HB ARG 35 1HB ARG 35 22.174 6.281 0.951 108 1HG ARG 35 2HG ARG 35 23.361 5.330 2.958 109 2HG ARG 35 1HG ARG 35 23.904 3.985 1.976 110 1HD ARG 35 2HD ARG 35 25.709 5.765 1.999 111 2HD ARG 35 1HD ARG 35 25.027 5.521 0.411 112 HE ARG 35 HE ARG 35 23.967 7.594 0.499 113 1HH1 ARG 35 1HH2 ARG 35 25.183 6.689 3.560 114 2HH1 ARG 35 2HH2 ARG 35 24.957 8.207 4.322 115 1HH2 ARG 35 2HH1 ARG 35 23.603 9.636 1.379 116 2HH2 ARG 35 1HH1 ARG 35 23.974 9.943 3.021 117 H TYR 36 H TYR 36 18.830 4.268 2.663 118 HA TYR 36 HA TYR 36 19.334 6.417 4.645 119 1HB TYR 36 2HB TYR 36 18.288 7.359 2.415 120 2HB TYR 36 1HB TYR 36 16.798 6.593 2.961 121 HD1 TYR 36 HD1 TYR 36 15.913 7.206 5.324 122 HD2 TYR 36 HD2 TYR 36 19.058 9.366 3.423 123 HE1 TYR 36 HE1 TYR 36 15.594 9.049 6.885 124 HE2 TYR 36 HE2 TYR 36 18.730 11.219 5.000 125 HH TYR 36 HH TYR 36 16.064 11.339 7.189 126 1HT TYR 36 1HT TYR 36 19.278 4.442 6.026 127 2HT TYR 36 2HT TYR 36 17.758 3.844 6.493 Start of MODEL 16 1 HN AYA 24 H ALA 24 3.376 0.058 2.752 2 HA AYA 24 HA ALA 24 3.159 -1.140 0.061 3 1HB AYA 24 1HB ALA 24 4.822 0.551 -0.545 4 2HB AYA 24 2HB ALA 24 5.100 0.964 1.148 5 3HB AYA 24 3HB ALA 24 3.558 1.317 0.378 6 1HM AYA 24 1HA ALA 24 0.435 -1.048 3.621 7 2HM AYA 24 2HA ALA 24 1.935 -0.423 4.305 8 3HM AYA 24 3HA ALA 24 1.579 -2.151 4.381 9 H ARG 25 H ARG 25 3.591 -3.012 1.584 10 HA ARG 25 HA ARG 25 5.509 -4.225 2.766 11 1HB ARG 25 2HB ARG 25 4.239 -5.240 0.200 12 2HB ARG 25 1HB ARG 25 5.225 -6.273 1.222 13 1HG ARG 25 2HG ARG 25 3.757 -5.806 3.174 14 2HG ARG 25 1HG ARG 25 2.771 -4.728 2.210 15 1HD ARG 25 2HD ARG 25 3.178 -7.667 1.553 16 2HD ARG 25 1HD ARG 25 1.834 -7.107 2.495 17 HE ARG 25 HE ARG 25 2.419 -6.434 -0.371 18 1HH1 ARG 25 1HH2 ARG 25 0.205 -6.441 2.296 19 2HH1 ARG 25 2HH2 ARG 25 -1.167 -6.072 1.355 20 1HH2 ARG 25 2HH1 ARG 25 0.632 -5.920 -1.654 21 2HH2 ARG 25 1HH1 ARG 25 -0.912 -5.752 -0.942 22 H HIS 26 H HIS 26 6.136 -3.884 -0.726 23 HA HIS 26 HA HIS 26 9.035 -4.135 -0.020 24 1HB HIS 26 2HB HIS 26 7.936 -6.207 -1.156 25 2HB HIS 26 1HB HIS 26 7.822 -5.215 -2.606 26 HD1 HIS 26 HD1 HIS 26 10.271 -3.957 -3.039 27 HD2 HIS 26 HD2 HIS 26 10.198 -7.634 -1.114 28 HE1 HIS 26 HE1 HIS 26 12.558 -5.030 -3.224 29 H TYR 27 H TYR 27 7.905 -1.727 -0.088 30 HA TYR 27 HA TYR 27 8.934 -0.514 -2.649 31 1HB TYR 27 2HB TYR 27 6.312 -0.533 -2.095 32 2HB TYR 27 1HB TYR 27 6.752 0.738 -0.969 33 HD1 TYR 27 HD1 TYR 27 7.426 2.962 -1.761 34 HD2 TYR 27 HD2 TYR 27 6.549 -0.166 -4.516 35 HE1 TYR 27 HE1 TYR 27 7.323 4.586 -3.600 36 HE2 TYR 27 HE2 TYR 27 6.463 1.474 -6.338 37 HH TYR 27 HH TYR 27 5.990 4.018 -6.535 38 H LYS 28 H LYS 28 7.978 0.252 0.623 39 HA LYS 28 HA LYS 28 9.559 2.467 1.214 40 1HB LYS 28 2HB LYS 28 7.795 1.312 2.719 41 2HB LYS 28 1HB LYS 28 9.026 0.152 3.166 42 1HG LYS 28 2HG LYS 28 9.170 1.752 4.880 43 2HG LYS 28 1HG LYS 28 10.475 2.222 3.819 44 1HD LYS 28 2HD LYS 28 8.608 3.761 2.671 45 2HD LYS 28 1HD LYS 28 7.754 3.482 4.174 46 1HE LYS 28 2HE LYS 28 9.094 5.508 4.386 47 2HE LYS 28 1HE LYS 28 9.812 4.269 5.416 48 HZ LYS 28 HZ LYS 28 10.778 4.835 2.641 49 H ASN 29 H ASN 29 10.247 -0.827 1.776 50 HA ASN 29 HA ASN 29 12.902 -0.688 2.634 51 1HB ASN 29 2HB ASN 29 12.923 -3.177 2.264 52 2HB ASN 29 1HB ASN 29 11.314 -2.747 2.848 53 1HD2 ASN 29 1HD2 ASN 29 12.301 -4.918 0.746 54 2HD2 ASN 29 2HD2 ASN 29 11.264 -4.608 -0.562 55 H LEU 30 H LEU 30 11.868 -0.069 -0.277 56 HA LEU 30 HA LEU 30 14.429 -0.803 -1.609 57 1HB LEU 30 2HB LEU 30 12.784 -1.548 -3.092 58 2HB LEU 30 1HB LEU 30 11.570 -0.460 -2.497 59 HG LEU 30 HG LEU 30 12.629 1.394 -3.680 60 1HD1 LEU 30 1HD1 LEU 30 14.387 0.886 -5.445 61 2HD1 LEU 30 2HD1 LEU 30 14.433 -0.782 -4.907 62 3HD1 LEU 30 3HD1 LEU 30 15.001 0.503 -3.856 63 1HD2 LEU 30 1HD2 LEU 30 11.963 0.661 -5.980 64 2HD2 LEU 30 2HD2 LEU 30 10.811 0.154 -4.753 65 3HD2 LEU 30 3HD2 LEU 30 11.950 -1.005 -5.426 66 H LEU 31 H LEU 31 12.085 1.834 -1.526 67 HA LEU 31 HA LEU 31 13.755 3.925 -2.387 68 1HB LEU 31 2HB LEU 31 11.451 3.944 -0.397 69 2HB LEU 31 1HB LEU 31 12.213 5.426 -0.935 70 HG LEU 31 HG LEU 31 10.860 3.385 -2.773 71 1HD1 LEU 31 1HD1 LEU 31 10.008 6.155 -1.813 72 2HD1 LEU 31 2HD1 LEU 31 9.252 4.635 -1.356 73 3HD1 LEU 31 3HD1 LEU 31 9.165 5.208 -3.016 74 1HD2 LEU 31 1HD2 LEU 31 11.137 5.150 -4.513 75 2HD2 LEU 31 2HD2 LEU 31 12.713 4.674 -3.938 76 3HD2 LEU 31 3HD2 LEU 31 11.990 6.174 -3.380 77 H GLU 32 H GLU 32 13.502 2.544 0.720 78 HA GLU 32 HA GLU 32 15.486 4.485 1.830 79 1HB GLU 32 2HB GLU 32 13.570 2.489 3.117 80 2HB GLU 32 1HB GLU 32 14.730 3.406 4.049 81 1HG GLU 32 2HG GLU 32 13.713 5.521 3.351 82 2HG GLU 32 1HG GLU 32 12.738 4.730 2.129 83 H ARG 33 H ARG 33 16.023 1.985 0.063 84 HA ARG 33 HA ARG 33 17.927 0.607 1.905 85 1HB ARG 33 2HB ARG 33 17.880 -1.254 0.398 86 2HB ARG 33 1HB ARG 33 16.267 -0.643 0.390 87 1HG ARG 33 2HG ARG 33 16.448 -0.793 -1.908 88 2HG ARG 33 1HG ARG 33 17.181 0.771 -1.746 89 1HD ARG 33 2HD ARG 33 18.741 -0.419 -3.046 90 2HD ARG 33 1HD ARG 33 19.455 -0.572 -1.449 91 HE ARG 33 HE ARG 33 18.160 -2.764 -1.274 92 1HH1 ARG 33 1HH2 ARG 33 19.219 -1.518 -4.332 93 2HH1 ARG 33 2HH2 ARG 33 19.328 -3.043 -5.095 94 1HH2 ARG 33 2HH1 ARG 33 18.205 -4.784 -2.236 95 2HH2 ARG 33 1HH1 ARG 33 18.711 -4.961 -3.857 96 H GLN 34 H GLN 34 17.902 2.710 -0.798 97 HA GLN 34 HA GLN 34 20.836 2.339 -1.245 98 1HB GLN 34 2HB GLN 34 18.856 4.211 -2.671 99 2HB GLN 34 1HB GLN 34 20.532 3.929 -3.131 100 1HG GLN 34 2HG GLN 34 20.045 1.501 -3.458 101 2HG GLN 34 1HG GLN 34 18.364 1.789 -3.039 102 1HE2 GLN 34 1HE2 GLN 34 19.049 4.515 -4.780 103 2HE2 GLN 34 2HE2 GLN 34 18.642 3.899 -6.309 104 H ARG 35 H ARG 35 18.559 4.469 0.182 105 HA ARG 35 HA ARG 35 20.727 6.297 1.025 106 1HB ARG 35 2HB ARG 35 17.723 6.835 0.686 107 2HB ARG 35 1HB ARG 35 18.857 7.975 1.375 108 1HG ARG 35 2HG ARG 35 20.122 8.089 -0.752 109 2HG ARG 35 1HG ARG 35 19.098 6.851 -1.453 110 1HD ARG 35 2HD ARG 35 18.389 9.117 -2.211 111 2HD ARG 35 1HD ARG 35 17.120 8.339 -1.298 112 HE ARG 35 HE ARG 35 17.777 9.665 0.684 113 1HH1 ARG 35 1HH2 ARG 35 18.879 10.829 -2.408 114 2HH1 ARG 35 2HH2 ARG 35 19.083 12.437 -1.874 115 1HH2 ARG 35 2HH1 ARG 35 18.015 11.748 1.402 116 2HH2 ARG 35 1HH1 ARG 35 18.561 12.974 0.349 117 H TYR 36 H TYR 36 20.717 4.135 2.448 118 HA TYR 36 HA TYR 36 19.730 3.004 4.388 119 1HB TYR 36 2HB TYR 36 21.678 5.243 4.948 120 2HB TYR 36 1HB TYR 36 21.086 4.287 6.282 121 HD1 TYR 36 HD1 TYR 36 21.142 1.658 5.887 122 HD2 TYR 36 HD2 TYR 36 23.639 4.439 3.849 123 HE1 TYR 36 HE1 TYR 36 22.748 -0.120 5.421 124 HE2 TYR 36 HE2 TYR 36 25.240 2.655 3.389 125 HH TYR 36 HH TYR 36 25.416 0.286 3.289 126 1HT TYR 36 1HT TYR 36 17.363 3.729 4.248 127 2HT TYR 36 2HT TYR 36 16.823 4.732 5.517 Start of MODEL 17 1 HN AYA 24 H ALA 24 -0.152 -3.048 0.950 2 HA AYA 24 HA ALA 24 2.239 -1.730 -0.120 3 1HB AYA 24 1HB ALA 24 0.172 -0.434 0.488 4 2HB AYA 24 2HB ALA 24 1.546 0.108 1.439 5 3HB AYA 24 3HB ALA 24 0.350 -0.947 2.163 6 1HM AYA 24 1HA ALA 24 -0.872 -4.931 0.141 7 2HM AYA 24 2HA ALA 24 0.420 -6.127 0.012 8 3HM AYA 24 3HA ALA 24 -0.167 -5.303 -1.432 9 H ARG 25 H ARG 25 3.464 -3.656 0.565 10 HA ARG 25 HA ARG 25 4.601 -3.241 3.308 11 1HB ARG 25 2HB ARG 25 5.050 -5.723 3.373 12 2HB ARG 25 1HB ARG 25 3.359 -5.282 3.346 13 1HG ARG 25 2HG ARG 25 3.220 -5.830 0.903 14 2HG ARG 25 1HG ARG 25 4.926 -6.228 0.881 15 1HD ARG 25 2HD ARG 25 3.631 -8.286 1.036 16 2HD ARG 25 1HD ARG 25 4.587 -8.068 2.479 17 HE ARG 25 HE ARG 25 2.588 -7.188 3.629 18 1HH1 ARG 25 1HH2 ARG 25 2.060 -9.062 0.748 19 2HH1 ARG 25 2HH2 ARG 25 0.476 -9.529 1.179 20 1HH2 ARG 25 2HH1 ARG 25 0.532 -7.756 4.214 21 2HH2 ARG 25 1HH1 ARG 25 -0.418 -8.751 3.203 22 H HIS 26 H HIS 26 5.496 -4.584 0.135 23 HA HIS 26 HA HIS 26 8.346 -3.950 0.760 24 1HB HIS 26 2HB HIS 26 7.816 -6.327 0.302 25 2HB HIS 26 1HB HIS 26 7.169 -5.889 -1.273 26 HD1 HIS 26 HD1 HIS 26 9.068 -4.483 -2.740 27 HD2 HIS 26 HD2 HIS 26 10.355 -7.131 0.196 28 HE1 HIS 26 HE1 HIS 26 11.460 -5.130 -3.200 29 H TYR 27 H TYR 27 7.946 -1.779 0.271 30 HA TYR 27 HA TYR 27 8.497 -1.079 -2.556 31 1HB TYR 27 2HB TYR 27 5.962 -0.844 -2.174 32 2HB TYR 27 1HB TYR 27 6.262 0.373 -0.957 33 HD1 TYR 27 HD1 TYR 27 8.059 2.311 -1.872 34 HD2 TYR 27 HD2 TYR 27 5.496 -0.078 -4.319 35 HE1 TYR 27 HE1 TYR 27 8.215 3.954 -3.666 36 HE2 TYR 27 HE2 TYR 27 5.666 1.590 -6.101 37 HH TYR 27 HH TYR 27 7.575 3.404 -6.696 38 H LYS 28 H LYS 28 7.673 0.412 0.493 39 HA LYS 28 HA LYS 28 9.316 2.583 0.582 40 1HB LYS 28 2HB LYS 28 7.613 1.999 2.285 41 2HB LYS 28 1HB LYS 28 8.581 0.661 2.848 42 1HG LYS 28 2HG LYS 28 8.621 2.538 4.409 43 2HG LYS 28 1HG LYS 28 10.219 2.207 3.820 44 1HD LYS 28 2HD LYS 28 8.442 4.365 2.588 45 2HD LYS 28 1HD LYS 28 9.408 4.690 4.008 46 1HE LYS 28 2HE LYS 28 10.510 3.830 1.285 47 2HE LYS 28 1HE LYS 28 10.660 5.383 2.062 48 HZ LYS 28 HZ LYS 28 11.731 2.933 3.388 49 H ASN 29 H ASN 29 10.108 -0.603 1.731 50 HA ASN 29 HA ASN 29 12.719 -0.302 2.562 51 1HB ASN 29 2HB ASN 29 12.933 -2.830 2.024 52 2HB ASN 29 1HB ASN 29 11.496 -2.422 2.951 53 1HD2 ASN 29 1HD2 ASN 29 12.374 -4.303 0.315 54 2HD2 ASN 29 2HD2 ASN 29 10.900 -4.234 -0.509 55 H LEU 30 H LEU 30 11.974 0.307 -0.392 56 HA LEU 30 HA LEU 30 14.612 -0.398 -1.699 57 1HB LEU 30 2HB LEU 30 12.151 0.842 -3.011 58 2HB LEU 30 1HB LEU 30 13.461 -0.026 -3.793 59 HG LEU 30 HG LEU 30 11.570 -1.214 -1.753 60 1HD1 LEU 30 1HD1 LEU 30 10.535 -2.364 -3.729 61 2HD1 LEU 30 2HD1 LEU 30 11.605 -1.457 -4.795 62 3HD1 LEU 30 3HD1 LEU 30 10.400 -0.615 -3.836 63 1HD2 LEU 30 1HD2 LEU 30 12.497 -3.402 -2.548 64 2HD2 LEU 30 2HD2 LEU 30 13.750 -2.401 -1.860 65 3HD2 LEU 30 3HD2 LEU 30 13.608 -2.539 -3.604 66 H LEU 31 H LEU 31 12.296 2.220 -1.359 67 HA LEU 31 HA LEU 31 14.001 4.351 -2.165 68 1HB LEU 31 2HB LEU 31 11.902 4.370 0.036 69 2HB LEU 31 1HB LEU 31 12.532 5.798 -0.734 70 HG LEU 31 HG LEU 31 10.890 3.610 -2.144 71 1HD1 LEU 31 1HD1 LEU 31 10.247 6.500 -1.350 72 2HD1 LEU 31 2HD1 LEU 31 9.576 5.077 -0.583 73 3HD1 LEU 31 3HD1 LEU 31 9.166 5.450 -2.247 74 1HD2 LEU 31 1HD2 LEU 31 10.908 5.196 -4.077 75 2HD2 LEU 31 2HD2 LEU 31 12.542 4.718 -3.696 76 3HD2 LEU 31 3HD2 LEU 31 11.953 6.293 -3.191 77 H GLU 32 H GLU 32 13.674 2.478 0.688 78 HA GLU 32 HA GLU 32 15.691 4.174 2.123 79 1HB GLU 32 2HB GLU 32 13.778 1.996 2.947 80 2HB GLU 32 1HB GLU 32 15.231 2.182 3.921 81 1HG GLU 32 2HG GLU 32 13.509 3.581 4.900 82 2HG GLU 32 1HG GLU 32 14.686 4.646 4.172 83 H ARG 33 H ARG 33 16.535 2.699 -0.172 84 HA ARG 33 HA ARG 33 18.574 0.809 0.964 85 1HB ARG 33 2HB ARG 33 17.518 1.226 -1.869 86 2HB ARG 33 1HB ARG 33 18.697 0.021 -1.479 87 1HG ARG 33 2HG ARG 33 15.949 0.101 -0.328 88 2HG ARG 33 1HG ARG 33 16.515 -0.993 -1.579 89 1HD ARG 33 2HD ARG 33 16.603 -2.312 0.300 90 2HD ARG 33 1HD ARG 33 18.268 -1.745 0.284 91 HE ARG 33 HE ARG 33 17.465 0.077 1.928 92 1HH1 ARG 33 1HH2 ARG 33 15.844 -2.959 1.775 93 2HH1 ARG 33 2HH2 ARG 33 15.341 -2.916 3.408 94 1HH2 ARG 33 2HH1 ARG 33 16.793 0.252 3.925 95 2HH2 ARG 33 1HH1 ARG 33 15.852 -0.992 4.678 96 H GLN 34 H GLN 34 18.604 3.152 -1.631 97 HA GLN 34 HA GLN 34 21.059 3.696 -2.359 98 1HB GLN 34 2HB GLN 34 19.363 5.956 -1.147 99 2HB GLN 34 1HB GLN 34 20.630 6.138 -2.339 100 1HG GLN 34 2HG GLN 34 19.338 5.205 -4.079 101 2HG GLN 34 1HG GLN 34 18.230 4.377 -2.999 102 1HE2 GLN 34 1HE2 GLN 34 16.282 5.470 -2.623 103 2HE2 GLN 34 2HE2 GLN 34 16.072 7.131 -2.897 104 H ARG 35 H ARG 35 20.036 5.216 0.587 105 HA ARG 35 HA ARG 35 22.610 4.657 1.896 106 1HB ARG 35 2HB ARG 35 22.692 6.970 0.656 107 2HB ARG 35 1HB ARG 35 21.495 7.526 1.816 108 1HG ARG 35 2HG ARG 35 23.060 7.012 3.698 109 2HG ARG 35 1HG ARG 35 24.241 6.392 2.557 110 1HD ARG 35 2HD ARG 35 24.388 8.656 1.490 111 2HD ARG 35 1HD ARG 35 23.253 9.288 2.669 112 HE ARG 35 HE ARG 35 24.888 8.597 4.448 113 1HH1 ARG 35 1HH2 ARG 35 26.074 9.303 1.255 114 2HH1 ARG 35 2HH2 ARG 35 27.650 9.700 1.779 115 1HH2 ARG 35 2HH1 ARG 35 26.909 9.106 5.164 116 2HH2 ARG 35 1HH1 ARG 35 28.140 9.587 4.077 117 H TYR 36 H TYR 36 20.404 3.376 2.368 118 HA TYR 36 HA TYR 36 18.967 2.644 4.051 119 1HB TYR 36 2HB TYR 36 20.661 2.909 5.702 120 2HB TYR 36 1HB TYR 36 20.664 4.645 5.589 121 HD1 TYR 36 HD1 TYR 36 19.222 5.995 6.886 122 HD2 TYR 36 HD2 TYR 36 18.705 1.765 6.925 123 HE1 TYR 36 HE1 TYR 36 17.713 6.203 8.791 124 HE2 TYR 36 HE2 TYR 36 17.183 1.982 8.844 125 HH TYR 36 HH TYR 36 15.927 4.971 9.907 126 1HT TYR 36 1HT TYR 36 18.940 6.240 4.232 127 2HT TYR 36 2HT TYR 36 17.242 6.355 4.278 Start of MODEL 18 1 HN AYA 24 H ALA 24 2.216 0.491 0.990 2 HA AYA 24 HA ALA 24 5.080 0.210 0.515 3 1HB AYA 24 1HB ALA 24 4.155 2.187 1.729 4 2HB AYA 24 2HB ALA 24 5.272 1.299 2.754 5 3HB AYA 24 3HB ALA 24 3.550 1.119 2.992 6 1HM AYA 24 1HA ALA 24 1.486 -0.154 -2.125 7 2HM AYA 24 2HA ALA 24 0.753 -0.064 -0.525 8 3HM AYA 24 3HA ALA 24 1.084 -1.638 -1.264 9 H ARG 25 H ARG 25 4.642 -2.144 0.243 10 HA ARG 25 HA ARG 25 4.777 -3.630 2.850 11 1HB ARG 25 2HB ARG 25 4.242 -4.668 -0.002 12 2HB ARG 25 1HB ARG 25 4.175 -5.629 1.465 13 1HG ARG 25 2HG ARG 25 2.269 -4.360 2.297 14 2HG ARG 25 1HG ARG 25 2.426 -3.159 1.029 15 1HD ARG 25 2HD ARG 25 1.917 -4.928 -0.694 16 2HD ARG 25 1HD ARG 25 1.738 -6.082 0.627 17 HE ARG 25 HE ARG 25 0.090 -3.588 0.525 18 1HH1 ARG 25 1HH2 ARG 25 0.245 -7.042 0.547 19 2HH1 ARG 25 2HH2 ARG 25 -1.423 -7.271 0.806 20 1HH2 ARG 25 2HH1 ARG 25 -2.113 -3.820 0.854 21 2HH2 ARG 25 1HH1 ARG 25 -2.814 -5.373 0.964 22 H HIS 26 H HIS 26 6.090 -4.303 -0.400 23 HA HIS 26 HA HIS 26 8.793 -4.536 0.878 24 1HB HIS 26 2HB HIS 26 7.694 -5.958 -1.595 25 2HB HIS 26 1HB HIS 26 9.325 -6.113 -0.993 26 HD1 HIS 26 HD1 HIS 26 8.138 -8.660 -1.103 27 HD2 HIS 26 HD2 HIS 26 7.330 -6.206 2.154 28 HE1 HIS 26 HE1 HIS 26 7.353 -10.060 0.805 29 H TYR 27 H TYR 27 7.409 -2.238 -0.226 30 HA TYR 27 HA TYR 27 9.239 -1.500 -2.500 31 1HB TYR 27 2HB TYR 27 6.528 -1.335 -2.564 32 2HB TYR 27 1HB TYR 27 6.835 0.200 -1.775 33 HD1 TYR 27 HD1 TYR 27 8.497 1.849 -2.933 34 HD2 TYR 27 HD2 TYR 27 6.889 -1.581 -4.883 35 HE1 TYR 27 HE1 TYR 27 9.090 2.790 -5.129 36 HE2 TYR 27 HE2 TYR 27 7.488 -0.633 -7.055 37 HH TYR 27 HH TYR 27 8.087 1.382 -8.134 38 H LYS 28 H LYS 28 7.952 -0.510 0.588 39 HA LYS 28 HA LYS 28 9.153 1.993 0.969 40 1HB LYS 28 2HB LYS 28 7.562 0.799 2.618 41 2HB LYS 28 1HB LYS 28 8.907 -0.216 3.092 42 1HG LYS 28 2HG LYS 28 8.887 1.502 4.719 43 2HG LYS 28 1HG LYS 28 10.191 1.959 3.649 44 1HD LYS 28 2HD LYS 28 8.367 3.395 2.403 45 2HD LYS 28 1HD LYS 28 7.408 3.135 3.843 46 1HE LYS 28 2HE LYS 28 8.656 5.220 4.111 47 2HE LYS 28 1HE LYS 28 9.380 4.046 5.207 48 HZ LYS 28 HZ LYS 28 10.453 4.548 2.462 49 H ASN 29 H ASN 29 10.432 -1.208 1.424 50 HA ASN 29 HA ASN 29 13.031 -0.342 2.303 51 1HB ASN 29 2HB ASN 29 13.699 -2.714 2.208 52 2HB ASN 29 1HB ASN 29 12.038 -2.718 2.771 53 1HD2 ASN 29 1HD2 ASN 29 10.630 -4.066 1.544 54 2HD2 ASN 29 2HD2 ASN 29 10.994 -4.624 -0.027 55 H LEU 30 H LEU 30 11.796 -0.097 -0.559 56 HA LEU 30 HA LEU 30 14.377 -0.487 -1.998 57 1HB LEU 30 2HB LEU 30 12.764 -1.475 -3.402 58 2HB LEU 30 1HB LEU 30 11.452 -0.527 -2.770 59 HG LEU 30 HG LEU 30 12.219 1.422 -3.987 60 1HD1 LEU 30 1HD1 LEU 30 14.693 0.862 -4.253 61 2HD1 LEU 30 2HD1 LEU 30 13.967 1.141 -5.820 62 3HD1 LEU 30 3HD1 LEU 30 14.255 -0.501 -5.269 63 1HD2 LEU 30 1HD2 LEU 30 11.827 -1.050 -5.713 64 2HD2 LEU 30 2HD2 LEU 30 11.593 0.601 -6.265 65 3HD2 LEU 30 3HD2 LEU 30 10.569 -0.052 -4.999 66 H LEU 31 H LEU 31 11.733 1.874 -1.421 67 HA LEU 31 HA LEU 31 13.270 4.081 -2.515 68 1HB LEU 31 2HB LEU 31 11.078 4.129 -0.380 69 2HB LEU 31 1HB LEU 31 11.676 5.536 -1.236 70 HG LEU 31 HG LEU 31 10.278 3.135 -2.521 71 1HD1 LEU 31 1HD1 LEU 31 8.448 4.779 -2.950 72 2HD1 LEU 31 2HD1 LEU 31 9.359 6.022 -2.107 73 3HD1 LEU 31 3HD1 LEU 31 8.751 4.628 -1.230 74 1HD2 LEU 31 1HD2 LEU 31 10.307 4.516 -4.600 75 2HD2 LEU 31 2HD2 LEU 31 11.941 4.178 -4.094 76 3HD2 LEU 31 3HD2 LEU 31 11.233 5.757 -3.789 77 H GLU 32 H GLU 32 13.095 2.571 0.585 78 HA GLU 32 HA GLU 32 15.083 4.510 1.695 79 1HB GLU 32 2HB GLU 32 13.252 2.435 2.999 80 2HB GLU 32 1HB GLU 32 14.414 3.388 3.900 81 1HG GLU 32 2HG GLU 32 13.347 5.468 3.289 82 2HG GLU 32 1HG GLU 32 12.385 4.711 2.043 83 H ARG 33 H ARG 33 15.947 2.602 -0.236 84 HA ARG 33 HA ARG 33 17.645 0.785 1.442 85 1HB ARG 33 2HB ARG 33 18.165 -0.446 -0.635 86 2HB ARG 33 1HB ARG 33 16.471 -0.337 -0.399 87 1HG ARG 33 2HG ARG 33 16.298 0.251 -2.540 88 2HG ARG 33 1HG ARG 33 16.872 1.822 -2.107 89 1HD ARG 33 2HD ARG 33 19.144 1.273 -2.686 90 2HD ARG 33 1HD ARG 33 18.810 -0.425 -2.876 91 HE ARG 33 HE ARG 33 18.086 1.757 -4.733 92 1HH1 ARG 33 1HH2 ARG 33 17.529 -1.494 -3.748 93 2HH1 ARG 33 2HH2 ARG 33 16.949 -2.034 -5.268 94 1HH2 ARG 33 2HH1 ARG 33 17.296 1.144 -6.741 95 2HH2 ARG 33 1HH1 ARG 33 16.790 -0.461 -7.034 96 H GLN 34 H GLN 34 17.809 2.994 -1.174 97 HA GLN 34 HA GLN 34 20.165 3.473 -2.116 98 1HB GLN 34 2HB GLN 34 18.161 5.011 -2.298 99 2HB GLN 34 1HB GLN 34 18.597 5.730 -0.768 100 1HG GLN 34 2HG GLN 34 20.889 6.309 -1.831 101 2HG GLN 34 1HG GLN 34 20.194 5.804 -3.362 102 1HE2 GLN 34 1HE2 GLN 34 19.099 7.485 -4.482 103 2HE2 GLN 34 2HE2 GLN 34 18.509 8.881 -3.724 104 H ARG 35 H ARG 35 19.508 5.078 0.865 105 HA ARG 35 HA ARG 35 22.326 4.767 1.737 106 1HB ARG 35 2HB ARG 35 20.563 7.258 1.746 107 2HB ARG 35 1HB ARG 35 21.992 7.145 2.750 108 1HG ARG 35 2HG ARG 35 23.473 7.258 0.963 109 2HG ARG 35 1HG ARG 35 22.408 6.432 -0.140 110 1HD ARG 35 2HD ARG 35 22.813 8.941 -0.581 111 2HD ARG 35 1HD ARG 35 21.156 8.395 -0.604 112 HE ARG 35 HE ARG 35 22.475 9.654 1.777 113 1HH1 ARG 35 1HH2 ARG 35 19.679 9.300 -0.278 114 2HH1 ARG 35 2HH2 ARG 35 18.740 10.422 0.583 115 1HH2 ARG 35 2HH1 ARG 35 21.259 11.068 2.960 116 2HH2 ARG 35 1HH1 ARG 35 19.664 11.465 2.504 117 H TYR 36 H TYR 36 20.390 3.131 2.246 118 HA TYR 36 HA TYR 36 19.568 1.821 3.961 119 1HB TYR 36 2HB TYR 36 21.534 3.113 5.340 120 2HB TYR 36 1HB TYR 36 20.171 3.948 6.062 121 HD1 TYR 36 HD1 TYR 36 21.190 0.476 5.119 122 HD2 TYR 36 HD2 TYR 36 19.236 2.922 8.017 123 HE1 TYR 36 HE1 TYR 36 20.830 -1.484 6.535 124 HE2 TYR 36 HE2 TYR 36 18.887 0.940 9.427 125 HH TYR 36 HH TYR 36 20.494 -1.772 9.212 126 1HT TYR 36 1HT TYR 36 17.877 2.404 6.026 127 2HT TYR 36 2HT TYR 36 16.615 3.418 5.499 Start of MODEL 19 1 HN AYA 24 H ALA 24 2.775 -1.494 2.722 2 HA AYA 24 HA ALA 24 5.230 -0.463 1.476 3 1HB AYA 24 1HB ALA 24 5.514 0.702 3.672 4 2HB AYA 24 2HB ALA 24 4.166 -0.201 4.332 5 3HB AYA 24 3HB ALA 24 3.890 0.973 3.050 6 1HM AYA 24 1HA ALA 24 1.308 -2.576 1.499 7 2HM AYA 24 2HA ALA 24 2.074 -3.792 0.474 8 3HM AYA 24 3HA ALA 24 1.518 -2.274 -0.227 9 H ARG 25 H ARG 25 5.437 -2.981 1.259 10 HA ARG 25 HA ARG 25 7.321 -3.916 3.417 11 1HB ARG 25 2HB ARG 25 5.252 -5.360 3.322 12 2HB ARG 25 1HB ARG 25 5.510 -5.639 1.608 13 1HG ARG 25 2HG ARG 25 7.628 -6.803 2.040 14 2HG ARG 25 1HG ARG 25 7.580 -6.373 3.734 15 1HD ARG 25 2HD ARG 25 5.533 -7.860 4.028 16 2HD ARG 25 1HD ARG 25 5.582 -8.196 2.322 17 HE ARG 25 HE ARG 25 7.549 -9.485 2.556 18 1HH1 ARG 25 1HH2 ARG 25 6.534 -8.138 5.557 19 2HH1 ARG 25 2HH2 ARG 25 7.488 -9.171 6.533 20 1HH2 ARG 25 2HH1 ARG 25 8.821 -10.878 3.753 21 2HH2 ARG 25 1HH1 ARG 25 8.847 -10.770 5.457 22 H HIS 26 H HIS 26 6.493 -4.376 -0.004 23 HA HIS 26 HA HIS 26 9.422 -4.440 -0.634 24 1HB HIS 26 2HB HIS 26 8.736 -5.844 -2.609 25 2HB HIS 26 1HB HIS 26 8.299 -6.615 -1.091 26 HD1 HIS 26 HD1 HIS 26 6.699 -4.318 -3.622 27 HD2 HIS 26 HD2 HIS 26 5.723 -7.335 -0.935 28 HE1 HIS 26 HE1 HIS 26 4.244 -4.863 -3.842 29 H TYR 27 H TYR 27 8.080 -2.057 -0.343 30 HA TYR 27 HA TYR 27 8.309 -0.968 -3.114 31 1HB TYR 27 2HB TYR 27 5.796 -1.474 -2.170 32 2HB TYR 27 1HB TYR 27 5.991 0.066 -1.386 33 HD1 TYR 27 HD1 TYR 27 6.996 2.018 -3.035 34 HD2 TYR 27 HD2 TYR 27 4.882 -1.457 -4.311 35 HE1 TYR 27 HE1 TYR 27 6.398 3.132 -5.131 36 HE2 TYR 27 HE2 TYR 27 4.291 -0.329 -6.399 37 HH TYR 27 HH TYR 27 4.648 1.519 -7.713 38 H LYS 28 H LYS 28 7.224 0.326 -0.047 39 HA LYS 28 HA LYS 28 8.708 2.680 0.000 40 1HB LYS 28 2HB LYS 28 6.897 2.287 1.581 41 2HB LYS 28 1HB LYS 28 7.688 0.879 2.254 42 1HG LYS 28 2HG LYS 28 9.263 3.416 2.438 43 2HG LYS 28 1HG LYS 28 7.779 3.396 3.354 44 1HD LYS 28 2HD LYS 28 8.425 1.377 4.544 45 2HD LYS 28 1HD LYS 28 9.848 1.162 3.542 46 1HE LYS 28 2HE LYS 28 9.383 3.654 5.216 47 2HE LYS 28 1HE LYS 28 10.317 2.265 5.761 48 HZ LYS 28 HZ LYS 28 10.989 3.686 3.218 49 H ASN 29 H ASN 29 9.643 -0.390 1.427 50 HA ASN 29 HA ASN 29 12.177 0.431 2.372 51 1HB ASN 29 2HB ASN 29 11.066 -1.675 3.125 52 2HB ASN 29 1HB ASN 29 11.304 -2.375 1.530 53 1HD2 ASN 29 1HD2 ASN 29 12.846 -4.016 1.977 54 2HD2 ASN 29 2HD2 ASN 29 14.347 -3.713 2.722 55 H LEU 30 H LEU 30 11.628 0.719 -0.631 56 HA LEU 30 HA LEU 30 14.301 -0.238 -1.741 57 1HB LEU 30 2HB LEU 30 11.945 1.101 -3.196 58 2HB LEU 30 1HB LEU 30 13.312 0.296 -3.945 59 HG LEU 30 HG LEU 30 11.366 -1.026 -2.059 60 1HD1 LEU 30 1HD1 LEU 30 10.339 -2.044 -4.163 61 2HD1 LEU 30 2HD1 LEU 30 11.437 -1.084 -5.142 62 3HD1 LEU 30 3HD1 LEU 30 10.207 -0.298 -4.170 63 1HD2 LEU 30 1HD2 LEU 30 12.299 -3.161 -3.044 64 2HD2 LEU 30 2HD2 LEU 30 13.542 -2.224 -2.243 65 3HD2 LEU 30 3HD2 LEU 30 13.428 -2.218 -3.999 66 H LEU 31 H LEU 31 12.083 2.432 -1.325 67 HA LEU 31 HA LEU 31 13.855 4.536 -2.096 68 1HB LEU 31 2HB LEU 31 11.711 4.577 0.097 69 2HB LEU 31 1HB LEU 31 12.354 5.992 -0.709 70 HG LEU 31 HG LEU 31 10.747 3.766 -2.080 71 1HD1 LEU 31 1HD1 LEU 31 9.966 6.626 -1.344 72 2HD1 LEU 31 2HD1 LEU 31 9.371 5.176 -0.557 73 3HD1 LEU 31 3HD1 LEU 31 8.963 5.494 -2.232 74 1HD2 LEU 31 1HD2 LEU 31 11.732 6.446 -3.166 75 2HD2 LEU 31 2HD2 LEU 31 10.719 5.303 -4.031 76 3HD2 LEU 31 3HD2 LEU 31 12.369 4.879 -3.629 77 H GLU 32 H GLU 32 13.549 2.462 0.590 78 HA GLU 32 HA GLU 32 15.606 4.010 2.154 79 1HB GLU 32 2HB GLU 32 13.714 1.758 2.914 80 2HB GLU 32 1HB GLU 32 14.950 2.338 4.002 81 1HG GLU 32 2HG GLU 32 13.978 4.552 4.116 82 2HG GLU 32 1HG GLU 32 12.908 4.231 2.754 83 H ARG 33 H ARG 33 16.301 2.361 -0.206 84 HA ARG 33 HA ARG 33 18.022 0.293 1.092 85 1HB ARG 33 2HB ARG 33 17.178 0.799 -1.804 86 2HB ARG 33 1HB ARG 33 18.406 -0.366 -1.465 87 1HG ARG 33 2HG ARG 33 15.681 -0.373 -0.438 88 2HG ARG 33 1HG ARG 33 16.241 -1.411 -1.731 89 1HD ARG 33 2HD ARG 33 16.471 -2.938 0.016 90 2HD ARG 33 1HD ARG 33 17.996 -2.104 0.269 91 HE ARG 33 HE ARG 33 15.424 -1.308 1.612 92 1HH1 ARG 33 1HH2 ARG 33 18.830 -2.046 1.895 93 2HH1 ARG 33 2HH2 ARG 33 18.904 -1.653 3.556 94 1HH2 ARG 33 2HH1 ARG 33 15.478 -0.838 3.699 95 2HH2 ARG 33 1HH1 ARG 33 16.900 -0.925 4.644 96 H GLN 34 H GLN 34 18.520 2.540 -1.630 97 HA GLN 34 HA GLN 34 21.324 2.620 -1.471 98 1HB GLN 34 2HB GLN 34 19.435 4.940 -2.191 99 2HB GLN 34 1HB GLN 34 21.162 4.968 -2.454 100 1HG GLN 34 2HG GLN 34 20.852 2.820 -3.868 101 2HG GLN 34 1HG GLN 34 19.128 3.156 -3.828 102 1HE2 GLN 34 1HE2 GLN 34 18.518 4.276 -5.742 103 2HE2 GLN 34 2HE2 GLN 34 19.511 5.423 -6.514 104 H ARG 35 H ARG 35 19.005 4.213 0.523 105 HA ARG 35 HA ARG 35 21.177 5.286 2.212 106 1HB ARG 35 2HB ARG 35 18.450 6.495 1.647 107 2HB ARG 35 1HB ARG 35 19.608 7.154 2.777 108 1HG ARG 35 2HG ARG 35 20.795 8.153 1.132 109 2HG ARG 35 1HG ARG 35 21.023 6.657 0.274 110 1HD ARG 35 2HD ARG 35 19.819 8.113 -1.281 111 2HD ARG 35 1HD ARG 35 18.678 6.947 -0.684 112 HE ARG 35 HE ARG 35 17.548 8.581 0.523 113 1HH1 ARG 35 1HH2 ARG 35 20.578 9.677 -0.585 114 2HH1 ARG 35 2HH2 ARG 35 20.338 11.356 -0.295 115 1HH2 ARG 35 2HH1 ARG 35 17.091 10.765 0.993 116 2HH2 ARG 35 1HH1 ARG 35 18.256 11.975 0.676 117 H TYR 36 H TYR 36 20.921 3.130 3.070 118 HA TYR 36 HA TYR 36 19.590 1.538 4.441 119 1HB TYR 36 2HB TYR 36 21.903 2.025 5.108 120 2HB TYR 36 1HB TYR 36 21.383 3.462 5.955 121 HD1 TYR 36 HD1 TYR 36 20.388 3.323 8.177 122 HD2 TYR 36 HD2 TYR 36 21.473 -0.228 6.094 123 HE1 TYR 36 HE1 TYR 36 20.180 2.052 10.249 124 HE2 TYR 36 HE2 TYR 36 21.256 -1.501 8.179 125 HH TYR 36 HH TYR 36 21.011 -0.041 11.234 126 1HT TYR 36 1HT TYR 36 17.270 2.191 4.374 127 2HT TYR 36 2HT TYR 36 16.619 3.011 5.724 Start of MODEL 20 1 HN AYA 24 H ALA 24 1.285 -3.948 -1.259 2 HA AYA 24 HA ALA 24 3.033 -2.031 0.131 3 1HB AYA 24 1HB ALA 24 0.601 -3.610 1.110 4 2HB AYA 24 2HB ALA 24 0.541 -1.976 0.460 5 3HB AYA 24 3HB ALA 24 1.363 -2.298 1.978 6 1HM AYA 24 1HA ALA 24 3.324 -4.654 -3.765 7 2HM AYA 24 2HA ALA 24 2.535 -3.139 -4.172 8 3HM AYA 24 3HA ALA 24 1.613 -4.422 -3.378 9 H ARG 25 H ARG 25 4.691 -3.708 -0.425 10 HA ARG 25 HA ARG 25 5.146 -5.447 1.975 11 1HB ARG 25 2HB ARG 25 5.760 -6.152 -0.937 12 2HB ARG 25 1HB ARG 25 6.300 -7.091 0.447 13 1HG ARG 25 2HG ARG 25 3.849 -7.346 1.128 14 2HG ARG 25 1HG ARG 25 3.399 -6.552 -0.368 15 1HD ARG 25 2HD ARG 25 4.656 -8.371 -1.651 16 2HD ARG 25 1HD ARG 25 4.981 -9.150 -0.127 17 HE ARG 25 HE ARG 25 2.602 -9.504 0.235 18 1HH1 ARG 25 1HH2 ARG 25 3.507 -8.586 -2.980 19 2HH1 ARG 25 2HH2 ARG 25 2.110 -9.234 -3.713 20 1HH2 ARG 25 2HH1 ARG 25 0.767 -10.355 -0.664 21 2HH2 ARG 25 1HH1 ARG 25 0.495 -10.277 -2.351 22 H HIS 26 H HIS 26 6.984 -4.343 -0.891 23 HA HIS 26 HA HIS 26 9.084 -3.371 0.977 24 1HB HIS 26 2HB HIS 26 10.752 -4.119 -0.867 25 2HB HIS 26 1HB HIS 26 10.001 -5.410 0.055 26 HD1 HIS 26 HD1 HIS 26 8.092 -6.726 -1.190 27 HD2 HIS 26 HD2 HIS 26 10.162 -3.973 -3.509 28 HE1 HIS 26 HE1 HIS 26 7.594 -7.152 -3.607 29 H TYR 27 H TYR 27 7.944 -1.297 0.641 30 HA TYR 27 HA TYR 27 8.729 -0.025 -1.974 31 1HB TYR 27 2HB TYR 27 6.218 -0.233 -1.343 32 2HB TYR 27 1HB TYR 27 6.509 0.976 -0.115 33 HD1 TYR 27 HD1 TYR 27 7.195 0.377 -3.763 34 HD2 TYR 27 HD2 TYR 27 6.207 3.241 -0.759 35 HE1 TYR 27 HE1 TYR 27 6.967 2.118 -5.481 36 HE2 TYR 27 HE2 TYR 27 5.978 4.953 -2.481 37 HH TYR 27 HH TYR 27 6.974 5.293 -4.849 38 H LYS 28 H LYS 28 8.015 1.050 1.303 39 HA LYS 28 HA LYS 28 9.654 3.352 1.285 40 1HB LYS 28 2HB LYS 28 7.954 2.690 3.119 41 2HB LYS 28 1HB LYS 28 9.144 1.564 3.732 42 1HG LYS 28 2HG LYS 28 9.472 3.514 5.031 43 2HG LYS 28 1HG LYS 28 10.765 3.596 3.854 44 1HD LYS 28 2HD LYS 28 9.023 5.024 2.431 45 2HD LYS 28 1HD LYS 28 8.168 5.153 3.947 46 1HE LYS 28 2HE LYS 28 9.655 7.065 3.751 47 2HE LYS 28 1HE LYS 28 10.323 6.017 5.000 48 HZ LYS 28 HZ LYS 28 11.238 5.954 2.152 49 H ASN 29 H ASN 29 10.350 0.117 2.401 50 HA ASN 29 HA ASN 29 13.113 0.619 2.966 51 1HB ASN 29 2HB ASN 29 13.212 -1.943 3.190 52 2HB ASN 29 1HB ASN 29 11.913 -1.235 4.134 53 1HD2 ASN 29 1HD2 ASN 29 12.363 -3.885 2.255 54 2HD2 ASN 29 2HD2 ASN 29 10.814 -3.988 1.566 55 H LEU 30 H LEU 30 11.781 0.640 0.170 56 HA LEU 30 HA LEU 30 14.026 -0.655 -1.309 57 1HB LEU 30 2HB LEU 30 12.148 -1.404 -2.497 58 2HB LEU 30 1HB LEU 30 11.106 -0.146 -1.923 59 HG LEU 30 HG LEU 30 12.210 1.444 -3.487 60 1HD1 LEU 30 1HD1 LEU 30 13.691 0.515 -5.296 61 2HD1 LEU 30 2HD1 LEU 30 13.626 -1.066 -4.534 62 3HD1 LEU 30 3HD1 LEU 30 14.429 0.280 -3.734 63 1HD2 LEU 30 1HD2 LEU 30 10.174 0.341 -4.200 64 2HD2 LEU 30 2HD2 LEU 30 11.085 -1.033 -4.817 65 3HD2 LEU 30 3HD2 LEU 30 11.248 0.548 -5.576 66 H LEU 31 H LEU 31 11.907 2.122 -1.408 67 HA LEU 31 HA LEU 31 13.494 3.987 -2.754 68 1HB LEU 31 2HB LEU 31 11.009 4.058 -1.788 69 2HB LEU 31 1HB LEU 31 11.737 4.820 -0.397 70 HG LEU 31 HG LEU 31 12.215 5.760 -3.231 71 1HD1 LEU 31 1HD1 LEU 31 10.432 7.500 -2.794 72 2HD1 LEU 31 2HD1 LEU 31 10.077 6.729 -1.258 73 3HD1 LEU 31 3HD1 LEU 31 9.779 5.872 -2.762 74 1HD2 LEU 31 1HD2 LEU 31 12.443 7.228 -0.530 75 2HD2 LEU 31 2HD2 LEU 31 12.762 7.956 -2.091 76 3HD2 LEU 31 3HD2 LEU 31 13.809 6.694 -1.496 77 H GLU 32 H GLU 32 13.373 3.224 0.590 78 HA GLU 32 HA GLU 32 15.780 4.910 1.194 79 1HB GLU 32 2HB GLU 32 13.740 3.545 3.021 80 2HB GLU 32 1HB GLU 32 15.111 4.470 3.599 81 1HG GLU 32 2HG GLU 32 14.282 6.519 2.681 82 2HG GLU 32 1HG GLU 32 13.159 5.696 1.614 83 H ARG 33 H ARG 33 15.994 2.511 -0.282 84 HA ARG 33 HA ARG 33 17.435 0.706 1.632 85 1HB ARG 33 2HB ARG 33 17.054 -1.042 0.097 86 2HB ARG 33 1HB ARG 33 15.700 -0.023 -0.238 87 1HG ARG 33 2HG ARG 33 16.252 -0.591 -2.341 88 2HG ARG 33 1HG ARG 33 17.014 0.953 -2.247 89 1HD ARG 33 2HD ARG 33 19.225 -0.133 -1.707 90 2HD ARG 33 1HD ARG 33 18.504 -1.714 -1.744 91 HE ARG 33 HE ARG 33 19.309 -0.108 -4.004 92 1HH1 ARG 33 1HH2 ARG 33 16.986 -2.378 -2.925 93 2HH1 ARG 33 2HH2 ARG 33 16.646 -3.064 -4.457 94 1HH2 ARG 33 2HH1 ARG 33 18.966 -0.945 -6.095 95 2HH2 ARG 33 1HH1 ARG 33 17.832 -2.204 -6.340 96 H GLN 34 H GLN 34 17.662 2.411 -1.366 97 HA GLN 34 HA GLN 34 20.052 2.370 -2.471 98 1HB GLN 34 2HB GLN 34 18.406 4.164 -2.964 99 2HB GLN 34 1HB GLN 34 18.746 4.954 -1.449 100 1HG GLN 34 2HG GLN 34 21.118 5.370 -2.223 101 2HG GLN 34 1HG GLN 34 20.712 4.658 -3.778 102 1HE2 GLN 34 1HE2 GLN 34 20.040 6.223 -5.285 103 2HE2 GLN 34 2HE2 GLN 34 19.314 7.697 -4.865 104 H ARG 35 H ARG 35 19.705 4.448 0.295 105 HA ARG 35 HA ARG 35 22.323 3.603 1.343 106 1HB ARG 35 2HB ARG 35 22.497 5.772 -0.122 107 2HB ARG 35 1HB ARG 35 21.537 6.557 1.125 108 1HG ARG 35 2HG ARG 35 23.281 5.863 2.824 109 2HG ARG 35 1HG ARG 35 24.225 5.174 1.515 110 1HD ARG 35 2HD ARG 35 24.304 7.458 0.435 111 2HD ARG 35 1HD ARG 35 23.450 8.109 1.818 112 HE ARG 35 HE ARG 35 26.109 6.718 1.924 113 1HH1 ARG 35 1HH2 ARG 35 23.959 9.108 3.218 114 2HH1 ARG 35 2HH2 ARG 35 25.080 9.707 4.357 115 1HH2 ARG 35 2HH1 ARG 35 27.587 7.431 3.402 116 2HH2 ARG 35 1HH1 ARG 35 27.206 8.701 4.479 117 H TYR 36 H TYR 36 19.911 2.787 2.121 118 HA TYR 36 HA TYR 36 18.562 2.505 3.983 119 1HB TYR 36 2HB TYR 36 21.090 3.677 5.034 120 2HB TYR 36 1HB TYR 36 19.753 4.192 6.011 121 HD1 TYR 36 HD1 TYR 36 21.380 3.011 7.622 122 HD2 TYR 36 HD2 TYR 36 19.011 0.823 4.809 123 HE1 TYR 36 HE1 TYR 36 21.617 0.984 8.968 124 HE2 TYR 36 HE2 TYR 36 19.259 -1.158 6.152 125 HH TYR 36 HH TYR 36 20.077 -2.048 8.057 126 1HT TYR 36 1HT TYR 36 17.567 4.132 5.945 127 2HT TYR 36 2HT TYR 36 16.814 5.476 5.231
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