NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
653385 | 6uxs | 30683 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ACE 0 H01 ACE 0 3.066 -0.235 -1.623 2 H2 ACE 0 H02 ACE 0 1.248 -0.712 -1.198 3 H TRP 1 H TRP 1 3.290 1.760 -2.597 4 HA TRP 1 HA TRP 1 0.877 3.019 -3.628 5 HB2 TRP 1 HB2 TRP 1 3.719 3.843 -4.210 6 HB3 TRP 1 HB3 TRP 1 2.261 4.827 -4.299 7 HD1 TRP 1 HD1 TRP 1 0.984 4.536 -1.533 8 HE1 TRP 1 HE1 TRP 1 2.167 5.344 0.605 9 HE3 TRP 1 HE3 TRP 1 5.808 4.545 -3.228 10 HZ2 TRP 1 HZ2 TRP 1 4.797 5.911 1.460 11 HZ3 TRP 1 HZ3 TRP 1 7.598 5.234 -1.687 12 HH2 TRP 1 HH2 TRP 1 7.101 5.903 0.608 13 H LYS 2 H LYS 2 1.644 3.975 -6.053 14 HA LYS 2 HA LYS 2 1.669 1.533 -7.665 15 HB2 LYS 2 HB2 LYS 2 -0.174 3.128 -8.018 16 HB3 LYS 2 HB3 LYS 2 0.990 4.377 -8.440 17 HG2 LYS 2 HG2 LYS 2 1.668 3.142 -10.399 18 HG3 LYS 2 HG3 LYS 2 0.612 1.800 -9.952 19 HD2 LYS 2 HD2 LYS 2 -1.237 3.667 -9.979 20 HD3 LYS 2 HD3 LYS 2 -0.084 4.495 -11.028 21 HE2 LYS 2 HE2 LYS 2 -1.330 3.330 -12.569 22 HE3 LYS 2 HE3 LYS 2 -0.014 2.197 -12.270 23 HZ1 LYS 2 HZ1 LYS 2 -2.797 2.081 -11.290 24 HZ2 LYS 2 HZ2 LYS 2 -1.927 0.908 -12.143 25 HZ3 LYS 2 HZ3 LYS 2 -1.564 1.217 -10.519 26 H THR 3 H THR 3 3.044 1.280 -9.457 27 HA THR 3 HA THR 3 5.352 3.105 -9.552 28 HB THR 3 HB THR 3 5.548 0.099 -9.802 29 HG1 THR 3 HG1 THR 3 5.582 0.127 -7.693 30 HG21 THR 3 HG21 THR 3 8.018 0.714 -9.401 31 HG22 THR 3 HG22 THR 3 7.336 1.016 -11.000 32 HG23 THR 3 HG23 THR 3 7.538 2.347 -9.860 33 H ILE 4 H ILE 4 5.685 3.903 -11.515 34 HA ILE 4 HA ILE 4 5.173 2.259 -13.868 35 HB ILE 4 HB ILE 4 3.991 5.026 -13.622 36 HG12 ILE 4 HG12 ILE 4 2.615 2.331 -13.568 37 HG13 ILE 4 HG13 ILE 4 2.793 3.420 -12.196 38 HG21 ILE 4 HG21 ILE 4 2.903 3.408 -15.717 39 HG22 ILE 4 HG22 ILE 4 3.733 4.961 -15.825 40 HG23 ILE 4 HG23 ILE 4 4.660 3.461 -15.860 41 HD11 ILE 4 HD11 ILE 4 0.726 3.329 -14.106 42 HD12 ILE 4 HD12 ILE 4 0.922 4.446 -12.756 43 HD13 ILE 4 HD13 ILE 4 1.590 4.849 -14.337 44 HH31 ALY 5 HH31 ALY 5 6.449 10.417 -13.501 45 HH32 ALY 5 HH32 ALY 5 5.264 10.574 -14.821 46 HH33 ALY 5 HH33 ALY 5 4.779 9.849 -13.269 47 HZ ALY 5 HZ ALY 5 6.559 8.615 -16.300 48 HE3 ALY 5 HE3 ALY 5 5.501 6.271 -15.466 49 HE2 ALY 5 HE2 ALY 5 4.245 6.974 -16.490 50 HD3 ALY 5 HD3 ALY 5 5.390 6.484 -18.358 51 HD2 ALY 5 HD2 ALY 5 6.842 7.286 -17.744 52 HG3 ALY 5 HG3 ALY 5 5.997 4.479 -16.945 53 HG2 ALY 5 HG2 ALY 5 7.120 4.826 -18.269 54 HB3 ALY 5 HB3 ALY 5 8.762 5.662 -16.841 55 HB2 ALY 5 HB2 ALY 5 7.615 6.008 -15.554 56 HCA ALY 5 HA ALY 5 8.610 3.259 -16.401 57 H ALY 5 H ALY 5 6.745 2.458 -15.318 58 H GLY 6 H GLY 6 8.844 2.489 -13.655 59 HA2 GLY 6 HA2 GLY 6 10.337 2.581 -11.911 60 HA3 GLY 6 HA3 GLY 6 11.464 3.184 -13.118 61 HH31 ALY 7 HH31 ALY 7 13.416 10.874 -16.160 62 HH32 ALY 7 HH32 ALY 7 12.068 11.572 -17.091 63 HH33 ALY 7 HH33 ALY 7 12.939 12.567 -15.900 64 HZ ALY 7 HZ ALY 7 12.039 9.297 -14.930 65 HE3 ALY 7 HE3 ALY 7 9.535 10.183 -13.854 66 HE2 ALY 7 HE2 ALY 7 9.448 8.682 -14.778 67 HD3 ALY 7 HD3 ALY 7 10.789 7.516 -13.293 68 HD2 ALY 7 HD2 ALY 7 11.645 8.968 -12.756 69 HG3 ALY 7 HG3 ALY 7 10.341 8.710 -10.905 70 HG2 ALY 7 HG2 ALY 7 9.157 9.583 -11.889 71 HB3 ALY 7 HB3 ALY 7 7.811 7.838 -11.455 72 HB2 ALY 7 HB2 ALY 7 8.715 7.046 -12.738 73 HCA ALY 7 HA ALY 7 10.210 6.652 -10.347 74 H ALY 7 H ALY 7 8.551 4.497 -11.506 75 H THR 8 H THR 8 9.236 7.733 -8.618 76 HA THR 8 HA THR 8 6.925 6.301 -7.483 77 HB THR 8 HB THR 8 8.388 7.925 -5.572 78 HG1 THR 8 HG1 THR 8 10.203 6.301 -5.631 79 HG21 THR 8 HG21 THR 8 8.284 4.956 -5.444 80 HG22 THR 8 HG22 THR 8 7.989 6.153 -4.182 81 HG23 THR 8 HG23 THR 8 6.755 5.835 -5.402 82 H TRP 9 H TRP 9 6.005 7.878 -5.589 83 HA TRP 9 HA TRP 9 5.856 10.628 -6.069 84 HB2 TRP 9 HB2 TRP 9 3.438 10.612 -6.970 85 HB3 TRP 9 HB3 TRP 9 4.747 10.314 -8.110 86 HD1 TRP 9 HD1 TRP 9 2.161 8.289 -6.050 87 HE1 TRP 9 HE1 TRP 9 1.579 6.164 -7.380 88 HE3 TRP 9 HE3 TRP 9 5.407 8.862 -9.957 89 HZ2 TRP 9 HZ2 TRP 9 2.389 4.897 -9.769 90 HZ3 TRP 9 HZ3 TRP 9 5.442 7.149 -11.723 91 HH2 TRP 9 HH2 TRP 9 3.964 5.208 -11.629 92 H ARG 10 H ARG 10 4.249 7.723 -4.938 93 HA ARG 10 HA ARG 10 3.142 7.244 -3.009 94 HB2 ARG 10 HB2 ARG 10 5.124 8.477 -2.032 95 HB3 ARG 10 HB3 ARG 10 4.109 9.912 -1.983 96 HG2 ARG 10 HG2 ARG 10 2.895 7.560 -0.744 97 HG3 ARG 10 HG3 ARG 10 4.383 8.104 0.034 98 HD2 ARG 10 HD2 ARG 10 2.510 10.250 -0.670 99 HD3 ARG 10 HD3 ARG 10 1.903 9.111 0.532 100 HE ARG 10 HE ARG 10 4.406 9.741 1.406 101 HH11 ARG 10 HH11 ARG 10 1.569 11.576 0.566 102 HH12 ARG 10 HH12 ARG 10 1.910 12.859 1.679 103 HH21 ARG 10 HH21 ARG 10 4.865 11.423 2.876 104 HH22 ARG 10 HH22 ARG 10 3.785 12.772 2.992 105 H THR 11 H THR 11 1.014 7.241 -3.363 106 HA THR 11 HA THR 11 -0.394 9.825 -3.473 107 HB THR 11 HB THR 11 -0.802 8.669 -5.504 108 HG1 THR 11 HG1 THR 11 -2.701 9.406 -4.073 109 HG21 THR 11 HG21 THR 11 -1.511 6.241 -3.852 110 HG22 THR 11 HG22 THR 11 -1.602 6.360 -5.609 111 HG23 THR 11 HG23 THR 11 -0.038 6.447 -4.799 112 HH31 ALY 12 HH31 ALY 12 -9.013 2.381 0.672 113 HH32 ALY 12 HH32 ALY 12 -8.005 3.759 0.168 114 HH33 ALY 12 HH33 ALY 12 -8.673 2.650 -1.053 115 HZ ALY 12 HZ ALY 12 -5.335 1.684 0.868 116 HE3 ALY 12 HE3 ALY 12 -4.308 2.870 -0.711 117 HE2 ALY 12 HE2 ALY 12 -5.751 3.850 -0.987 118 HD3 ALY 12 HD3 ALY 12 -5.256 4.835 1.379 119 HD2 ALY 12 HD2 ALY 12 -3.641 4.150 1.155 120 HG3 ALY 12 HG3 ALY 12 -4.836 5.831 -1.036 121 HG2 ALY 12 HG2 ALY 12 -4.181 6.631 0.401 122 HB3 ALY 12 HB3 ALY 12 -2.304 4.648 -0.381 123 HB2 ALY 12 HB2 ALY 12 -2.798 5.472 -1.853 124 HCA ALY 12 HA ALY 12 -2.373 7.566 -0.050 125 H ALY 12 H ALY 12 -0.445 6.559 -2.101 126 H GLN 13 H GLN 13 -2.283 5.549 1.739 127 HA GLN 13 HA GLN 13 0.480 5.731 2.717 128 HB2 GLN 13 HB2 GLN 13 -2.115 5.269 4.193 129 HB3 GLN 13 HB3 GLN 13 -0.528 5.231 4.950 130 HG2 GLN 13 HG2 GLN 13 -0.951 7.655 3.421 131 HG3 GLN 13 HG3 GLN 13 -2.171 7.429 4.673 132 HE21 GLN 13 HE21 GLN 13 -1.112 6.584 6.803 133 HE22 GLN 13 HE22 GLN 13 0.257 7.495 7.333 134 H CYS 14 H CYS 14 1.250 3.947 1.507 135 HA CYS 14 HA CYS 14 0.164 1.414 1.355 136 HB2 CYS 14 HB2 CYS 14 2.421 2.530 0.413 137 HB3 CYS 14 HB3 CYS 14 3.107 1.569 1.719 138 HN1 NH2 15 H1 CYS 14 0.023 -0.346 2.733 Start of MODEL 2 1 H1 ACE 0 H01 ACE 0 3.057 -0.261 -1.629 2 H2 ACE 0 H02 ACE 0 1.231 -0.707 -1.181 3 H TRP 1 H TRP 1 3.289 1.758 -2.578 4 HA TRP 1 HA TRP 1 0.882 3.012 -3.623 5 HB2 TRP 1 HB2 TRP 1 3.727 3.830 -4.201 6 HB3 TRP 1 HB3 TRP 1 2.271 4.816 -4.296 7 HD1 TRP 1 HD1 TRP 1 0.986 4.535 -1.533 8 HE1 TRP 1 HE1 TRP 1 2.165 5.345 0.606 9 HE3 TRP 1 HE3 TRP 1 5.814 4.530 -3.216 10 HZ2 TRP 1 HZ2 TRP 1 4.794 5.909 1.466 11 HZ3 TRP 1 HZ3 TRP 1 7.601 5.218 -1.671 12 HH2 TRP 1 HH2 TRP 1 7.100 5.893 0.620 13 H LYS 2 H LYS 2 1.655 3.962 -6.049 14 HA LYS 2 HA LYS 2 1.692 1.514 -7.656 15 HB2 LYS 2 HB2 LYS 2 -0.168 3.094 -8.004 16 HB3 LYS 2 HB3 LYS 2 0.985 4.347 -8.441 17 HG2 LYS 2 HG2 LYS 2 1.634 3.162 -10.412 18 HG3 LYS 2 HG3 LYS 2 0.684 1.752 -9.934 19 HD2 LYS 2 HD2 LYS 2 -0.552 2.948 -11.599 20 HD3 LYS 2 HD3 LYS 2 -1.360 3.184 -10.047 21 HE2 LYS 2 HE2 LYS 2 0.689 5.183 -10.776 22 HE3 LYS 2 HE3 LYS 2 -0.782 5.187 -11.748 23 HZ1 LYS 2 HZ1 LYS 2 -2.004 5.227 -9.551 24 HZ2 LYS 2 HZ2 LYS 2 -0.520 5.606 -8.831 25 HZ3 LYS 2 HZ3 LYS 2 -1.191 6.647 -9.984 26 H THR 3 H THR 3 3.056 1.285 -9.465 27 HA THR 3 HA THR 3 5.350 3.129 -9.561 28 HB THR 3 HB THR 3 5.593 0.130 -9.843 29 HG1 THR 3 HG1 THR 3 5.492 0.157 -7.728 30 HG21 THR 3 HG21 THR 3 7.833 0.437 -10.147 31 HG22 THR 3 HG22 THR 3 7.262 1.959 -10.834 32 HG23 THR 3 HG23 THR 3 7.874 1.913 -9.181 33 H ILE 4 H ILE 4 5.708 3.912 -11.527 34 HA ILE 4 HA ILE 4 5.171 2.270 -13.877 35 HB ILE 4 HB ILE 4 4.018 5.049 -13.630 36 HG12 ILE 4 HG12 ILE 4 2.601 2.376 -13.594 37 HG13 ILE 4 HG13 ILE 4 2.817 3.432 -12.203 38 HG21 ILE 4 HG21 ILE 4 3.779 4.989 -15.834 39 HG22 ILE 4 HG22 ILE 4 4.657 3.459 -15.869 40 HG23 ILE 4 HG23 ILE 4 2.899 3.465 -15.723 41 HD11 ILE 4 HD11 ILE 4 0.594 3.677 -13.068 42 HD12 ILE 4 HD12 ILE 4 1.498 5.162 -13.364 43 HD13 ILE 4 HD13 ILE 4 1.218 4.023 -14.681 44 HH31 ALY 5 HH31 ALY 5 4.098 9.866 -15.364 45 HH32 ALY 5 HH32 ALY 5 3.690 9.124 -13.798 46 HH33 ALY 5 HH33 ALY 5 4.820 10.497 -13.865 47 HZ ALY 5 HZ ALY 5 6.939 8.173 -15.814 48 HE3 ALY 5 HE3 ALY 5 5.371 6.219 -15.603 49 HE2 ALY 5 HE2 ALY 5 4.309 7.178 -16.637 50 HD3 ALY 5 HD3 ALY 5 5.417 6.440 -18.439 51 HD2 ALY 5 HD2 ALY 5 6.882 7.234 -17.847 52 HG3 ALY 5 HG3 ALY 5 5.991 4.466 -16.967 53 HG2 ALY 5 HG2 ALY 5 7.116 4.754 -18.303 54 HB3 ALY 5 HB3 ALY 5 8.771 5.620 -16.900 55 HB2 ALY 5 HB2 ALY 5 7.632 5.996 -15.616 56 HCA ALY 5 HA ALY 5 8.614 3.229 -16.418 57 H ALY 5 H ALY 5 6.729 2.460 -15.345 58 H GLY 6 H GLY 6 8.847 2.490 -13.670 59 HA2 GLY 6 HA2 GLY 6 10.338 2.601 -11.924 60 HA3 GLY 6 HA3 GLY 6 11.464 3.199 -13.133 61 HH31 ALY 7 HH31 ALY 7 12.078 9.475 -17.653 62 HH32 ALY 7 HH32 ALY 7 12.225 11.249 -17.601 63 HH33 ALY 7 HH33 ALY 7 13.515 10.227 -16.925 64 HZ ALY 7 HZ ALY 7 11.382 8.502 -15.523 65 HE3 ALY 7 HE3 ALY 7 9.876 10.387 -13.935 66 HE2 ALY 7 HE2 ALY 7 8.995 8.977 -14.529 67 HD3 ALY 7 HD3 ALY 7 10.615 7.472 -13.485 68 HD2 ALY 7 HD2 ALY 7 11.607 8.845 -12.977 69 HG3 ALY 7 HG3 ALY 7 10.452 8.630 -11.031 70 HG2 ALY 7 HG2 ALY 7 9.223 9.568 -11.892 71 HB3 ALY 7 HB3 ALY 7 7.831 7.876 -11.433 72 HB2 ALY 7 HB2 ALY 7 8.655 7.027 -12.732 73 HCA ALY 7 HA ALY 7 10.204 6.659 -10.348 74 H ALY 7 H ALY 7 8.563 4.481 -11.473 75 H THR 8 H THR 8 9.250 7.711 -8.604 76 HA THR 8 HA THR 8 6.928 6.292 -7.479 77 HB THR 8 HB THR 8 8.378 7.908 -5.559 78 HG1 THR 8 HG1 THR 8 9.821 5.857 -6.919 79 HG21 THR 8 HG21 THR 8 8.244 4.924 -5.515 80 HG22 THR 8 HG22 THR 8 8.072 6.076 -4.190 81 HG23 THR 8 HG23 THR 8 6.756 5.857 -5.345 82 H TRP 9 H TRP 9 6.013 7.871 -5.581 83 HA TRP 9 HA TRP 9 5.866 10.621 -6.064 84 HB2 TRP 9 HB2 TRP 9 3.447 10.608 -6.962 85 HB3 TRP 9 HB3 TRP 9 4.755 10.307 -8.103 86 HD1 TRP 9 HD1 TRP 9 2.172 8.284 -6.037 87 HE1 TRP 9 HE1 TRP 9 1.584 6.160 -7.366 88 HE3 TRP 9 HE3 TRP 9 5.407 8.857 -9.953 89 HZ2 TRP 9 HZ2 TRP 9 2.387 4.894 -9.757 90 HZ3 TRP 9 HZ3 TRP 9 5.436 7.144 -11.720 91 HH2 TRP 9 HH2 TRP 9 3.957 5.204 -11.622 92 H ARG 10 H ARG 10 4.259 7.718 -4.927 93 HA ARG 10 HA ARG 10 3.154 7.241 -2.998 94 HB2 ARG 10 HB2 ARG 10 5.136 8.477 -2.024 95 HB3 ARG 10 HB3 ARG 10 4.120 9.911 -1.974 96 HG2 ARG 10 HG2 ARG 10 2.907 7.561 -0.733 97 HG3 ARG 10 HG3 ARG 10 4.398 8.103 0.042 98 HD2 ARG 10 HD2 ARG 10 3.467 10.018 0.788 99 HD3 ARG 10 HD3 ARG 10 2.489 10.230 -0.664 100 HE ARG 10 HE ARG 10 1.459 8.070 0.784 101 HH11 ARG 10 HH11 ARG 10 1.807 11.523 1.062 102 HH12 ARG 10 HH12 ARG 10 0.394 11.717 2.046 103 HH21 ARG 10 HH21 ARG 10 -0.403 8.313 2.078 104 HH22 ARG 10 HH22 ARG 10 -0.862 9.891 2.624 105 H THR 11 H THR 11 1.026 7.237 -3.348 106 HA THR 11 HA THR 11 -0.384 9.821 -3.453 107 HB THR 11 HB THR 11 -0.786 8.677 -5.492 108 HG1 THR 11 HG1 THR 11 -3.025 8.023 -3.860 109 HG21 THR 11 HG21 THR 11 -1.579 6.369 -5.615 110 HG22 THR 11 HG22 THR 11 -0.023 6.450 -4.789 111 HG23 THR 11 HG23 THR 11 -1.505 6.240 -3.858 112 HH31 ALY 12 HH31 ALY 12 -7.321 1.066 -0.049 113 HH32 ALY 12 HH32 ALY 12 -7.633 0.551 -1.724 114 HH33 ALY 12 HH33 ALY 12 -5.999 1.068 -1.240 115 HZ ALY 12 HZ ALY 12 -6.880 3.478 -3.089 116 HE3 ALY 12 HE3 ALY 12 -5.397 5.142 -2.511 117 HE2 ALY 12 HE2 ALY 12 -6.746 5.268 -1.379 118 HD3 ALY 12 HD3 ALY 12 -5.527 4.209 0.369 119 HD2 ALY 12 HD2 ALY 12 -4.286 3.619 -0.746 120 HG3 ALY 12 HG3 ALY 12 -4.603 6.548 -0.787 121 HG2 ALY 12 HG2 ALY 12 -4.117 5.918 0.794 122 HB3 ALY 12 HB3 ALY 12 -2.302 4.625 -0.356 123 HB2 ALY 12 HB2 ALY 12 -2.744 5.414 -1.863 124 HCA ALY 12 HA ALY 12 -2.381 7.536 -0.056 125 H ALY 12 H ALY 12 -0.440 6.544 -2.104 126 H GLN 13 H GLN 13 -2.281 5.517 1.731 127 HA GLN 13 HA GLN 13 0.476 5.721 2.724 128 HB2 GLN 13 HB2 GLN 13 -2.188 5.730 4.010 129 HB3 GLN 13 HB3 GLN 13 -0.922 4.868 4.874 130 HG2 GLN 13 HG2 GLN 13 -0.868 7.750 4.014 131 HG3 GLN 13 HG3 GLN 13 -1.056 7.139 5.657 132 HE21 GLN 13 HE21 GLN 13 0.964 8.924 4.548 133 HE22 GLN 13 HE22 GLN 13 2.488 8.169 4.848 134 H CYS 14 H CYS 14 1.244 3.941 1.493 135 HA CYS 14 HA CYS 14 0.175 1.399 1.361 136 HB2 CYS 14 HB2 CYS 14 2.404 2.522 0.378 137 HB3 CYS 14 HB3 CYS 14 3.122 1.593 1.690 138 HN1 NH2 15 H1 CYS 14 -0.257 -0.155 3.391 Start of MODEL 3 1 H1 ACE 0 H01 ACE 0 3.205 -0.147 -1.524 2 H2 ACE 0 H02 ACE 0 1.411 -0.693 -1.123 3 H TRP 1 H TRP 1 3.389 1.797 -2.561 4 HA TRP 1 HA TRP 1 0.948 3.026 -3.573 5 HB2 TRP 1 HB2 TRP 1 3.773 3.885 -4.183 6 HB3 TRP 1 HB3 TRP 1 2.300 4.848 -4.266 7 HD1 TRP 1 HD1 TRP 1 1.053 4.558 -1.487 8 HE1 TRP 1 HE1 TRP 1 2.244 5.398 0.635 9 HE3 TRP 1 HE3 TRP 1 5.861 4.624 -3.226 10 HZ2 TRP 1 HZ2 TRP 1 4.874 6.008 1.462 11 HZ3 TRP 1 HZ3 TRP 1 7.655 5.350 -1.706 12 HH2 TRP 1 HH2 TRP 1 7.169 6.027 0.589 13 H LYS 2 H LYS 2 1.686 3.972 -6.010 14 HA LYS 2 HA LYS 2 1.731 1.517 -7.603 15 HB2 LYS 2 HB2 LYS 2 -0.129 3.113 -7.940 16 HB3 LYS 2 HB3 LYS 2 1.031 4.344 -8.422 17 HG2 LYS 2 HG2 LYS 2 1.623 3.130 -10.382 18 HG3 LYS 2 HG3 LYS 2 0.706 1.717 -9.853 19 HD2 LYS 2 HD2 LYS 2 -0.519 2.954 -11.557 20 HD3 LYS 2 HD3 LYS 2 -1.370 3.011 -10.012 21 HE2 LYS 2 HE2 LYS 2 0.523 5.206 -10.409 22 HE3 LYS 2 HE3 LYS 2 -0.786 5.172 -11.589 23 HZ1 LYS 2 HZ1 LYS 2 -2.357 5.548 -9.998 24 HZ2 LYS 2 HZ2 LYS 2 -1.452 4.848 -8.753 25 HZ3 LYS 2 HZ3 LYS 2 -1.062 6.396 -9.314 26 H THR 3 H THR 3 3.103 1.259 -9.392 27 HA THR 3 HA THR 3 5.384 3.117 -9.527 28 HB THR 3 HB THR 3 5.634 0.113 -9.743 29 HG1 THR 3 HG1 THR 3 5.245 0.511 -7.605 30 HG21 THR 3 HG21 THR 3 7.468 2.404 -10.082 31 HG22 THR 3 HG22 THR 3 8.099 1.034 -9.168 32 HG23 THR 3 HG23 THR 3 7.511 0.799 -10.813 33 H ILE 4 H ILE 4 5.700 3.884 -11.505 34 HA ILE 4 HA ILE 4 5.197 2.194 -13.828 35 HB ILE 4 HB ILE 4 3.989 4.953 -13.627 36 HG12 ILE 4 HG12 ILE 4 2.644 2.245 -13.498 37 HG13 ILE 4 HG13 ILE 4 2.809 3.375 -12.159 38 HG21 ILE 4 HG21 ILE 4 2.909 3.271 -15.679 39 HG22 ILE 4 HG22 ILE 4 3.702 4.840 -15.825 40 HG23 ILE 4 HG23 ILE 4 4.663 3.361 -15.838 41 HD11 ILE 4 HD11 ILE 4 0.757 3.212 -14.103 42 HD12 ILE 4 HD12 ILE 4 0.901 4.318 -12.737 43 HD13 ILE 4 HD13 ILE 4 1.586 4.757 -14.302 44 HH31 ALY 5 HH31 ALY 5 5.313 10.605 -14.327 45 HH32 ALY 5 HH32 ALY 5 3.848 9.644 -14.642 46 HH33 ALY 5 HH33 ALY 5 4.614 9.602 -13.035 47 HZ ALY 5 HZ ALY 5 6.599 8.391 -16.175 48 HE3 ALY 5 HE3 ALY 5 5.346 6.156 -15.575 49 HE2 ALY 5 HE2 ALY 5 4.154 6.924 -16.627 50 HD3 ALY 5 HD3 ALY 5 5.330 6.363 -18.451 51 HD2 ALY 5 HD2 ALY 5 6.762 7.190 -17.825 52 HG3 ALY 5 HG3 ALY 5 5.943 4.391 -16.978 53 HG2 ALY 5 HG2 ALY 5 7.056 4.716 -18.315 54 HB3 ALY 5 HB3 ALY 5 8.695 5.609 -16.912 55 HB2 ALY 5 HB2 ALY 5 7.550 5.960 -15.626 56 HCA ALY 5 HA ALY 5 8.578 3.211 -16.431 57 H ALY 5 H ALY 5 6.709 2.421 -15.344 58 H GLY 6 H GLY 6 8.843 2.493 -13.675 59 HA2 GLY 6 HA2 GLY 6 10.349 2.635 -11.944 60 HA3 GLY 6 HA3 GLY 6 11.458 3.234 -13.170 61 HH31 ALY 7 HH31 ALY 7 10.992 8.634 -18.228 62 HH32 ALY 7 HH32 ALY 7 9.730 7.379 -18.190 63 HH33 ALY 7 HH33 ALY 7 9.416 8.934 -18.997 64 HZ ALY 7 HZ ALY 7 10.970 8.590 -15.920 65 HE3 ALY 7 HE3 ALY 7 10.013 10.261 -14.478 66 HE2 ALY 7 HE2 ALY 7 8.656 9.170 -14.195 67 HD3 ALY 7 HD3 ALY 7 10.658 7.504 -13.520 68 HD2 ALY 7 HD2 ALY 7 11.461 9.040 -13.167 69 HG3 ALY 7 HG3 ALY 7 10.445 8.642 -11.133 70 HG2 ALY 7 HG2 ALY 7 9.181 9.590 -11.932 71 HB3 ALY 7 HB3 ALY 7 7.800 7.895 -11.473 72 HB2 ALY 7 HB2 ALY 7 8.612 7.035 -12.774 73 HCA ALY 7 HA ALY 7 10.189 6.704 -10.401 74 H ALY 7 H ALY 7 8.561 4.499 -11.490 75 H THR 8 H THR 8 9.233 7.770 -8.663 76 HA THR 8 HA THR 8 6.938 6.334 -7.504 77 HB THR 8 HB THR 8 8.407 7.999 -5.627 78 HG1 THR 8 HG1 THR 8 9.821 5.857 -6.871 79 HG21 THR 8 HG21 THR 8 6.787 5.870 -5.448 80 HG22 THR 8 HG22 THR 8 8.346 5.046 -5.403 81 HG23 THR 8 HG23 THR 8 7.966 6.281 -4.203 82 H TRP 9 H TRP 9 6.007 7.918 -5.624 83 HA TRP 9 HA TRP 9 5.826 10.661 -6.128 84 HB2 TRP 9 HB2 TRP 9 3.404 10.609 -7.019 85 HB3 TRP 9 HB3 TRP 9 4.713 10.318 -8.161 86 HD1 TRP 9 HD1 TRP 9 2.160 8.277 -6.074 87 HE1 TRP 9 HE1 TRP 9 1.599 6.134 -7.386 88 HE3 TRP 9 HE3 TRP 9 5.383 8.861 -10.000 89 HZ2 TRP 9 HZ2 TRP 9 2.415 4.860 -9.769 90 HZ3 TRP 9 HZ3 TRP 9 5.431 7.135 -11.753 91 HH2 TRP 9 HH2 TRP 9 3.978 5.176 -11.638 92 H ARG 10 H ARG 10 4.255 7.749 -4.965 93 HA ARG 10 HA ARG 10 3.160 7.275 -3.028 94 HB2 ARG 10 HB2 ARG 10 5.133 8.537 -2.069 95 HB3 ARG 10 HB3 ARG 10 4.102 9.962 -2.029 96 HG2 ARG 10 HG2 ARG 10 2.920 7.607 -0.765 97 HG3 ARG 10 HG3 ARG 10 4.402 8.179 0.004 98 HD2 ARG 10 HD2 ARG 10 2.499 10.292 -0.717 99 HD3 ARG 10 HD3 ARG 10 1.910 9.158 0.497 100 HE ARG 10 HE ARG 10 4.552 10.134 1.042 101 HH11 ARG 10 HH11 ARG 10 1.147 10.781 1.375 102 HH12 ARG 10 HH12 ARG 10 1.343 11.806 2.757 103 HH21 ARG 10 HH21 ARG 10 4.824 11.483 2.862 104 HH22 ARG 10 HH22 ARG 10 3.436 12.206 3.602 105 H THR 11 H THR 11 1.032 7.245 -3.374 106 HA THR 11 HA THR 11 -0.405 9.812 -3.514 107 HB THR 11 HB THR 11 -0.816 8.612 -5.519 108 HG1 THR 11 HG1 THR 11 -3.081 7.823 -4.047 109 HG21 THR 11 HG21 THR 11 -0.023 6.414 -4.786 110 HG22 THR 11 HG22 THR 11 -1.478 6.210 -3.810 111 HG23 THR 11 HG23 THR 11 -1.600 6.292 -5.568 112 HH31 ALY 12 HH31 ALY 12 -8.809 3.231 0.069 113 HH32 ALY 12 HH32 ALY 12 -8.377 1.506 0.121 114 HH33 ALY 12 HH33 ALY 12 -9.336 2.224 1.438 115 HZ ALY 12 HZ ALY 12 -6.139 2.521 -0.039 116 HE3 ALY 12 HE3 ALY 12 -7.187 4.661 -0.492 117 HE2 ALY 12 HE2 ALY 12 -6.312 5.306 0.900 118 HD3 ALY 12 HD3 ALY 12 -4.598 3.901 -1.052 119 HD2 ALY 12 HD2 ALY 12 -5.405 5.334 -1.705 120 HG3 ALY 12 HG3 ALY 12 -4.388 6.776 -0.150 121 HG2 ALY 12 HG2 ALY 12 -4.007 5.459 0.968 122 HB3 ALY 12 HB3 ALY 12 -2.232 4.678 -0.354 123 HB2 ALY 12 HB2 ALY 12 -2.802 5.517 -1.789 124 HCA ALY 12 HA ALY 12 -2.318 7.607 -0.020 125 H ALY 12 H ALY 12 -0.403 6.576 -2.072 126 H GLN 13 H GLN 13 -2.206 5.613 1.794 127 HA GLN 13 HA GLN 13 0.569 5.808 2.736 128 HB2 GLN 13 HB2 GLN 13 -2.037 5.444 4.213 129 HB3 GLN 13 HB3 GLN 13 -0.468 5.266 4.985 130 HG2 GLN 13 HG2 GLN 13 -0.051 7.489 4.979 131 HG3 GLN 13 HG3 GLN 13 -0.930 7.762 3.476 132 HE21 GLN 13 HE21 GLN 13 -2.728 8.870 3.677 133 HE22 GLN 13 HE22 GLN 13 -3.724 8.958 5.086 134 H CYS 14 H CYS 14 1.358 4.010 1.582 135 HA CYS 14 HA CYS 14 0.271 1.477 1.440 136 HB2 CYS 14 HB2 CYS 14 2.562 2.598 0.548 137 HB3 CYS 14 HB3 CYS 14 3.202 1.597 1.847 138 HN1 NH2 15 H1 CYS 14 3.122 1.564 3.911 Start of MODEL 4 1 H1 ACE 0 H01 ACE 0 3.219 -0.091 -1.521 2 H2 ACE 0 H02 ACE 0 1.391 -0.651 -1.136 3 H TRP 1 H TRP 1 3.388 1.816 -2.561 4 HA TRP 1 HA TRP 1 0.942 3.039 -3.567 5 HB2 TRP 1 HB2 TRP 1 3.764 3.905 -4.183 6 HB3 TRP 1 HB3 TRP 1 2.290 4.864 -4.263 7 HD1 TRP 1 HD1 TRP 1 1.048 4.571 -1.482 8 HE1 TRP 1 HE1 TRP 1 2.240 5.414 0.638 9 HE3 TRP 1 HE3 TRP 1 5.852 4.650 -3.229 10 HZ2 TRP 1 HZ2 TRP 1 4.869 6.030 1.460 11 HZ3 TRP 1 HZ3 TRP 1 7.646 5.380 -1.713 12 HH2 TRP 1 HH2 TRP 1 7.163 6.056 0.583 13 H LYS 2 H LYS 2 1.673 3.987 -6.006 14 HA LYS 2 HA LYS 2 1.719 1.534 -7.600 15 HB2 LYS 2 HB2 LYS 2 -0.142 3.128 -7.938 16 HB3 LYS 2 HB3 LYS 2 1.018 4.361 -8.414 17 HG2 LYS 2 HG2 LYS 2 1.633 3.120 -10.367 18 HG3 LYS 2 HG3 LYS 2 0.658 1.742 -9.853 19 HD2 LYS 2 HD2 LYS 2 -1.258 3.574 -9.845 20 HD3 LYS 2 HD3 LYS 2 -0.185 4.347 -11.014 21 HE2 LYS 2 HE2 LYS 2 -1.384 3.064 -12.454 22 HE3 LYS 2 HE3 LYS 2 -0.156 1.879 -12.013 23 HZ1 LYS 2 HZ1 LYS 2 -1.778 1.188 -10.203 24 HZ2 LYS 2 HZ2 LYS 2 -2.944 2.077 -11.049 25 HZ3 LYS 2 HZ3 LYS 2 -2.177 0.764 -11.792 26 H THR 3 H THR 3 3.089 1.274 -9.389 27 HA THR 3 HA THR 3 5.370 3.130 -9.528 28 HB THR 3 HB THR 3 5.651 0.135 -9.783 29 HG1 THR 3 HG1 THR 3 6.492 0.221 -7.658 30 HG21 THR 3 HG21 THR 3 7.704 0.620 -10.493 31 HG22 THR 3 HG22 THR 3 7.361 2.344 -10.351 32 HG23 THR 3 HG23 THR 3 8.026 1.460 -8.977 33 H ILE 4 H ILE 4 5.691 3.892 -11.507 34 HA ILE 4 HA ILE 4 5.184 2.200 -13.827 35 HB ILE 4 HB ILE 4 3.976 4.959 -13.627 36 HG12 ILE 4 HG12 ILE 4 2.632 2.250 -13.505 37 HG13 ILE 4 HG13 ILE 4 2.796 3.378 -12.164 38 HG21 ILE 4 HG21 ILE 4 4.637 3.338 -15.836 39 HG22 ILE 4 HG22 ILE 4 2.880 3.312 -15.684 40 HG23 ILE 4 HG23 ILE 4 3.730 4.850 -15.828 41 HD11 ILE 4 HD11 ILE 4 1.582 4.848 -14.185 42 HD12 ILE 4 HD12 ILE 4 0.806 3.265 -14.237 43 HD13 ILE 4 HD13 ILE 4 0.821 4.191 -12.736 44 HH31 ALY 5 HH31 ALY 5 3.861 7.864 -13.737 45 HH32 ALY 5 HH32 ALY 5 4.531 9.284 -12.899 46 HH33 ALY 5 HH33 ALY 5 3.814 9.461 -14.519 47 HZ ALY 5 HZ ALY 5 6.700 8.364 -16.111 48 HE3 ALY 5 HE3 ALY 5 5.430 6.167 -15.491 49 HE2 ALY 5 HE2 ALY 5 4.209 6.940 -16.508 50 HD3 ALY 5 HD3 ALY 5 5.315 6.350 -18.366 51 HD2 ALY 5 HD2 ALY 5 6.775 7.170 -17.798 52 HG3 ALY 5 HG3 ALY 5 5.956 4.378 -16.921 53 HG2 ALY 5 HG2 ALY 5 7.052 4.699 -18.273 54 HB3 ALY 5 HB3 ALY 5 8.718 5.571 -16.896 55 HB2 ALY 5 HB2 ALY 5 7.595 5.945 -15.596 56 HCA ALY 5 HA ALY 5 8.597 3.184 -16.396 57 H ALY 5 H ALY 5 6.744 2.387 -15.288 58 H GLY 6 H GLY 6 8.856 2.466 -13.642 59 HA2 GLY 6 HA2 GLY 6 10.359 2.603 -11.909 60 HA3 GLY 6 HA3 GLY 6 11.472 3.204 -13.130 61 HH31 ALY 7 HH31 ALY 7 13.216 8.982 -17.328 62 HH32 ALY 7 HH32 ALY 7 12.938 10.235 -16.094 63 HH33 ALY 7 HH33 ALY 7 13.000 8.519 -15.623 64 HZ ALY 7 HZ ALY 7 11.032 7.657 -15.420 65 HE3 ALY 7 HE3 ALY 7 10.673 10.172 -14.370 66 HE2 ALY 7 HE2 ALY 7 9.107 9.360 -14.292 67 HD3 ALY 7 HD3 ALY 7 10.679 7.356 -13.383 68 HD2 ALY 7 HD2 ALY 7 11.655 8.739 -12.868 69 HG3 ALY 7 HG3 ALY 7 10.316 8.740 -11.043 70 HG2 ALY 7 HG2 ALY 7 9.154 9.553 -12.103 71 HB3 ALY 7 HB3 ALY 7 7.792 7.869 -11.462 72 HB2 ALY 7 HB2 ALY 7 8.605 7.013 -12.764 73 HCA ALY 7 HA ALY 7 10.190 6.690 -10.396 74 H ALY 7 H ALY 7 8.556 4.491 -11.502 75 H THR 8 H THR 8 9.197 7.801 -8.686 76 HA THR 8 HA THR 8 6.923 6.347 -7.507 77 HB THR 8 HB THR 8 8.399 8.018 -5.639 78 HG1 THR 8 HG1 THR 8 9.845 5.776 -6.578 79 HG21 THR 8 HG21 THR 8 8.178 5.034 -5.527 80 HG22 THR 8 HG22 THR 8 8.119 6.210 -4.214 81 HG23 THR 8 HG23 THR 8 6.743 6.036 -5.304 82 H TRP 9 H TRP 9 5.991 7.932 -5.631 83 HA TRP 9 HA TRP 9 5.810 10.675 -6.137 84 HB2 TRP 9 HB2 TRP 9 3.388 10.622 -7.028 85 HB3 TRP 9 HB3 TRP 9 4.696 10.329 -8.170 86 HD1 TRP 9 HD1 TRP 9 2.143 8.293 -6.081 87 HE1 TRP 9 HE1 TRP 9 1.581 6.148 -7.388 88 HE3 TRP 9 HE3 TRP 9 5.366 8.868 -10.006 89 HZ2 TRP 9 HZ2 TRP 9 2.398 4.869 -9.769 90 HZ3 TRP 9 HZ3 TRP 9 5.415 7.138 -11.756 91 HH2 TRP 9 HH2 TRP 9 3.961 5.181 -11.638 92 H ARG 10 H ARG 10 4.239 7.764 -4.971 93 HA ARG 10 HA ARG 10 3.145 7.292 -3.033 94 HB2 ARG 10 HB2 ARG 10 5.116 8.560 -2.077 95 HB3 ARG 10 HB3 ARG 10 4.083 9.981 -2.037 96 HG2 ARG 10 HG2 ARG 10 2.908 7.623 -0.771 97 HG3 ARG 10 HG3 ARG 10 4.389 8.198 -0.004 98 HD2 ARG 10 HD2 ARG 10 2.379 10.243 -0.734 99 HD3 ARG 10 HD3 ARG 10 1.963 9.158 0.592 100 HE ARG 10 HE ARG 10 4.572 10.195 0.943 101 HH11 ARG 10 HH11 ARG 10 1.214 11.091 1.154 102 HH12 ARG 10 HH12 ARG 10 1.480 12.308 2.358 103 HH21 ARG 10 HH21 ARG 10 4.935 11.795 2.528 104 HH22 ARG 10 HH22 ARG 10 3.597 12.709 3.138 105 H THR 11 H THR 11 1.016 7.259 -3.369 106 HA THR 11 HA THR 11 -0.423 9.825 -3.518 107 HB THR 11 HB THR 11 -0.837 8.620 -5.518 108 HG1 THR 11 HG1 THR 11 -2.768 9.419 -4.825 109 HG21 THR 11 HG21 THR 11 -1.493 6.219 -3.804 110 HG22 THR 11 HG22 THR 11 -1.613 6.297 -5.562 111 HG23 THR 11 HG23 THR 11 -0.037 6.424 -4.779 112 HH31 ALY 12 HH31 ALY 12 -2.760 -0.763 1.182 113 HH32 ALY 12 HH32 ALY 12 -4.270 -1.643 0.845 114 HH33 ALY 12 HH33 ALY 12 -3.006 -1.533 -0.403 115 HZ ALY 12 HZ ALY 12 -2.920 1.192 1.016 116 HE3 ALY 12 HE3 ALY 12 -3.938 2.549 -1.214 117 HE2 ALY 12 HE2 ALY 12 -4.326 3.439 0.261 118 HD3 ALY 12 HD3 ALY 12 -2.026 3.616 0.883 119 HD2 ALY 12 HD2 ALY 12 -1.532 2.419 -0.322 120 HG3 ALY 12 HG3 ALY 12 -0.937 4.528 -1.241 121 HG2 ALY 12 HG2 ALY 12 -2.402 4.029 -2.101 122 HB3 ALY 12 HB3 ALY 12 -3.385 5.928 -1.497 123 HB2 ALY 12 HB2 ALY 12 -3.294 5.413 0.181 124 HCA ALY 12 HA ALY 12 -2.327 7.630 -0.013 125 H ALY 12 H ALY 12 -0.422 6.591 -2.070 126 H GLN 13 H GLN 13 -2.222 5.634 1.800 127 HA GLN 13 HA GLN 13 0.555 5.816 2.737 128 HB2 GLN 13 HB2 GLN 13 -2.001 5.328 4.273 129 HB3 GLN 13 HB3 GLN 13 -0.394 5.378 4.986 130 HG2 GLN 13 HG2 GLN 13 -0.526 7.749 3.610 131 HG3 GLN 13 HG3 GLN 13 -2.170 7.547 4.214 132 HE21 GLN 13 HE21 GLN 13 -0.191 9.510 4.979 133 HE22 GLN 13 HE22 GLN 13 0.075 9.307 6.674 134 H CYS 14 H CYS 14 1.327 4.023 1.555 135 HA CYS 14 HA CYS 14 0.238 1.491 1.417 136 HB2 CYS 14 HB2 CYS 14 2.464 2.567 0.428 137 HB3 CYS 14 HB3 CYS 14 3.188 1.706 1.784 138 HN1 NH2 15 H1 CYS 14 2.669 2.053 4.458 Start of MODEL 5 1 H1 ACE 0 H01 ACE 0 3.110 -0.194 -1.553 2 H2 ACE 0 H02 ACE 0 1.284 -0.632 -1.081 3 H TRP 1 H TRP 1 3.325 1.826 -2.520 4 HA TRP 1 HA TRP 1 0.907 3.041 -3.585 5 HB2 TRP 1 HB2 TRP 1 3.744 3.871 -4.184 6 HB3 TRP 1 HB3 TRP 1 2.280 4.845 -4.287 7 HD1 TRP 1 HD1 TRP 1 1.010 4.597 -1.515 8 HE1 TRP 1 HE1 TRP 1 2.192 5.446 0.607 9 HE3 TRP 1 HE3 TRP 1 5.831 4.595 -3.217 10 HZ2 TRP 1 HZ2 TRP 1 4.822 6.037 1.449 11 HZ3 TRP 1 HZ3 TRP 1 7.620 5.318 -1.690 12 HH2 TRP 1 HH2 TRP 1 7.124 6.023 0.594 13 H LYS 2 H LYS 2 1.668 3.958 -6.026 14 HA LYS 2 HA LYS 2 1.721 1.485 -7.594 15 HB2 LYS 2 HB2 LYS 2 -0.152 3.047 -7.958 16 HB3 LYS 2 HB3 LYS 2 0.991 4.299 -8.428 17 HG2 LYS 2 HG2 LYS 2 1.585 3.153 -10.402 18 HG3 LYS 2 HG3 LYS 2 0.790 1.671 -9.869 19 HD2 LYS 2 HD2 LYS 2 -1.297 3.361 -9.792 20 HD3 LYS 2 HD3 LYS 2 -0.351 4.115 -11.077 21 HE2 LYS 2 HE2 LYS 2 -0.224 1.856 -12.168 22 HE3 LYS 2 HE3 LYS 2 -1.384 1.288 -10.968 23 HZ1 LYS 2 HZ1 LYS 2 -2.787 3.262 -11.790 24 HZ2 LYS 2 HZ2 LYS 2 -1.783 3.225 -13.152 25 HZ3 LYS 2 HZ3 LYS 2 -2.711 1.869 -12.747 26 H THR 3 H THR 3 3.086 1.236 -9.399 27 HA THR 3 HA THR 3 5.364 3.096 -9.527 28 HB THR 3 HB THR 3 5.622 0.096 -9.776 29 HG1 THR 3 HG1 THR 3 5.771 1.810 -7.562 30 HG21 THR 3 HG21 THR 3 7.275 1.811 -10.863 31 HG22 THR 3 HG22 THR 3 7.857 1.997 -9.209 32 HG23 THR 3 HG23 THR 3 7.900 0.414 -9.985 33 H ILE 4 H ILE 4 5.695 3.870 -11.501 34 HA ILE 4 HA ILE 4 5.177 2.200 -13.834 35 HB ILE 4 HB ILE 4 3.976 4.960 -13.602 36 HG12 ILE 4 HG12 ILE 4 2.623 2.253 -13.532 37 HG13 ILE 4 HG13 ILE 4 2.793 3.352 -12.167 38 HG21 ILE 4 HG21 ILE 4 4.635 3.359 -15.834 39 HG22 ILE 4 HG22 ILE 4 2.877 3.355 -15.687 40 HG23 ILE 4 HG23 ILE 4 3.749 4.884 -15.807 41 HD11 ILE 4 HD11 ILE 4 0.940 3.437 -14.454 42 HD12 ILE 4 HD12 ILE 4 0.703 3.922 -12.776 43 HD13 ILE 4 HD13 ILE 4 1.567 4.985 -13.886 44 HH31 ALY 5 HH31 ALY 5 3.851 9.329 -16.450 45 HH32 ALY 5 HH32 ALY 5 3.091 8.987 -14.875 46 HH33 ALY 5 HH33 ALY 5 3.907 10.546 -15.153 47 HZ ALY 5 HZ ALY 5 6.767 7.874 -15.265 48 HE3 ALY 5 HE3 ALY 5 5.316 6.106 -15.582 49 HE2 ALY 5 HE2 ALY 5 4.288 7.098 -16.620 50 HD3 ALY 5 HD3 ALY 5 5.389 6.305 -18.404 51 HD2 ALY 5 HD2 ALY 5 6.845 7.126 -17.828 52 HG3 ALY 5 HG3 ALY 5 5.991 4.359 -16.910 53 HG2 ALY 5 HG2 ALY 5 7.113 4.646 -18.249 54 HB3 ALY 5 HB3 ALY 5 8.756 5.554 -16.855 55 HB2 ALY 5 HB2 ALY 5 7.610 5.926 -15.575 56 HCA ALY 5 HA ALY 5 8.635 3.165 -16.348 57 H ALY 5 H ALY 5 6.783 2.362 -15.241 58 H GLY 6 H GLY 6 8.866 2.468 -13.584 59 HA2 GLY 6 HA2 GLY 6 10.350 2.622 -11.836 60 HA3 GLY 6 HA3 GLY 6 11.474 3.212 -13.052 61 HH31 ALY 7 HH31 ALY 7 10.051 13.159 -16.461 62 HH32 ALY 7 HH32 ALY 7 8.694 12.535 -15.493 63 HH33 ALY 7 HH33 ALY 7 10.304 12.719 -14.757 64 HZ ALY 7 HZ ALY 7 11.004 10.900 -14.426 65 HE3 ALY 7 HE3 ALY 7 8.884 9.736 -14.055 66 HE2 ALY 7 HE2 ALY 7 9.490 8.480 -15.137 67 HD3 ALY 7 HD3 ALY 7 10.684 7.535 -13.489 68 HD2 ALY 7 HD2 ALY 7 11.471 9.073 -13.107 69 HG3 ALY 7 HG3 ALY 7 10.373 8.703 -11.117 70 HG2 ALY 7 HG2 ALY 7 9.125 9.615 -11.981 71 HB3 ALY 7 HB3 ALY 7 7.762 7.900 -11.539 72 HB2 ALY 7 HB2 ALY 7 8.626 7.046 -12.809 73 HCA ALY 7 HA ALY 7 10.149 6.745 -10.406 74 H ALY 7 H ALY 7 8.521 4.548 -11.541 75 H THR 8 H THR 8 9.278 7.689 -8.611 76 HA THR 8 HA THR 8 6.926 6.320 -7.498 77 HB THR 8 HB THR 8 8.382 7.973 -5.605 78 HG1 THR 8 HG1 THR 8 10.353 7.137 -5.796 79 HG21 THR 8 HG21 THR 8 8.339 5.020 -5.394 80 HG22 THR 8 HG22 THR 8 7.928 6.249 -4.197 81 HG23 THR 8 HG23 THR 8 6.772 5.828 -5.460 82 H TRP 9 H TRP 9 6.006 7.917 -5.616 83 HA TRP 9 HA TRP 9 5.839 10.660 -6.133 84 HB2 TRP 9 HB2 TRP 9 3.417 10.619 -7.024 85 HB3 TRP 9 HB3 TRP 9 4.725 10.312 -8.164 86 HD1 TRP 9 HD1 TRP 9 2.158 8.301 -6.067 87 HE1 TRP 9 HE1 TRP 9 1.582 6.155 -7.366 88 HE3 TRP 9 HE3 TRP 9 5.383 8.840 -9.997 89 HZ2 TRP 9 HZ2 TRP 9 2.388 4.862 -9.742 90 HZ3 TRP 9 HZ3 TRP 9 5.419 7.104 -11.739 91 HH2 TRP 9 HH2 TRP 9 3.952 5.156 -11.612 92 H ARG 10 H ARG 10 4.253 7.761 -4.956 93 HA ARG 10 HA ARG 10 3.157 7.302 -3.017 94 HB2 ARG 10 HB2 ARG 10 5.135 8.561 -2.064 95 HB3 ARG 10 HB3 ARG 10 4.110 9.990 -2.030 96 HG2 ARG 10 HG2 ARG 10 2.916 7.647 -0.755 97 HG3 ARG 10 HG3 ARG 10 4.404 8.210 0.009 98 HD2 ARG 10 HD2 ARG 10 2.501 10.327 -0.717 99 HD3 ARG 10 HD3 ARG 10 1.930 9.207 0.520 100 HE ARG 10 HE ARG 10 3.957 11.203 0.809 101 HH11 ARG 10 HH11 ARG 10 2.875 8.092 1.939 102 HH12 ARG 10 HH12 ARG 10 3.643 8.242 3.485 103 HH21 ARG 10 HH21 ARG 10 4.972 11.411 2.840 104 HH22 ARG 10 HH22 ARG 10 4.835 10.130 3.997 105 H THR 11 H THR 11 1.028 7.279 -3.361 106 HA THR 11 HA THR 11 -0.398 9.854 -3.496 107 HB THR 11 HB THR 11 -0.800 8.679 -5.517 108 HG1 THR 11 HG1 THR 11 -2.816 9.231 -5.210 109 HG21 THR 11 HG21 THR 11 -0.020 6.468 -4.790 110 HG22 THR 11 HG22 THR 11 -1.497 6.260 -3.847 111 HG23 THR 11 HG23 THR 11 -1.580 6.365 -5.605 112 HH31 ALY 12 HH31 ALY 12 -8.255 5.409 -1.239 113 HH32 ALY 12 HH32 ALY 12 -8.951 5.029 -2.832 114 HH33 ALY 12 HH33 ALY 12 -9.590 4.241 -1.370 115 HZ ALY 12 HZ ALY 12 -6.761 3.995 -3.586 116 HE3 ALY 12 HE3 ALY 12 -4.941 5.227 -2.872 117 HE2 ALY 12 HE2 ALY 12 -6.349 5.841 -2.000 118 HD3 ALY 12 HD3 ALY 12 -5.779 4.463 -0.050 119 HD2 ALY 12 HD2 ALY 12 -4.406 3.764 -0.921 120 HG3 ALY 12 HG3 ALY 12 -4.509 6.740 -0.774 121 HG2 ALY 12 HG2 ALY 12 -4.194 5.892 0.747 122 HB3 ALY 12 HB3 ALY 12 -2.319 4.707 -0.259 123 HB2 ALY 12 HB2 ALY 12 -2.671 5.412 -1.831 124 HCA ALY 12 HA ALY 12 -2.366 7.606 -0.058 125 H ALY 12 H ALY 12 -0.429 6.597 -2.101 126 H GLN 13 H GLN 13 -2.251 5.609 1.753 127 HA GLN 13 HA GLN 13 0.507 5.839 2.732 128 HB2 GLN 13 HB2 GLN 13 -2.156 5.671 4.078 129 HB3 GLN 13 HB3 GLN 13 -0.732 5.096 4.936 130 HG2 GLN 13 HG2 GLN 13 -0.381 7.721 3.714 131 HG3 GLN 13 HG3 GLN 13 -1.660 7.663 4.926 132 HE21 GLN 13 HE21 GLN 13 1.743 7.028 4.341 133 HE22 GLN 13 HE22 GLN 13 2.247 7.181 5.987 134 H CYS 14 H CYS 14 1.282 4.049 1.518 135 HA CYS 14 HA CYS 14 0.229 1.500 1.415 136 HB2 CYS 14 HB2 CYS 14 2.440 2.620 0.404 137 HB3 CYS 14 HB3 CYS 14 3.177 1.728 1.732 138 HN1 NH2 15 H1 CYS 14 0.859 1.706 5.215 Start of MODEL 6 1 H1 ACE 0 H01 ACE 0 3.039 -0.247 -1.619 2 H2 ACE 0 H02 ACE 0 1.209 -0.679 -1.163 3 H TRP 1 H TRP 1 3.273 1.777 -2.567 4 HA TRP 1 HA TRP 1 0.868 3.025 -3.624 5 HB2 TRP 1 HB2 TRP 1 3.714 3.840 -4.201 6 HB3 TRP 1 HB3 TRP 1 2.258 4.826 -4.300 7 HD1 TRP 1 HD1 TRP 1 0.971 4.557 -1.538 8 HE1 TRP 1 HE1 TRP 1 2.148 5.374 0.601 9 HE3 TRP 1 HE3 TRP 1 5.801 4.541 -3.216 10 HZ2 TRP 1 HZ2 TRP 1 4.777 5.939 1.461 11 HZ3 TRP 1 HZ3 TRP 1 7.587 5.235 -1.671 12 HH2 TRP 1 HH2 TRP 1 7.083 5.919 0.617 13 H LYS 2 H LYS 2 1.645 3.966 -6.051 14 HA LYS 2 HA LYS 2 1.683 1.511 -7.648 15 HB2 LYS 2 HB2 LYS 2 -0.175 3.095 -8.003 16 HB3 LYS 2 HB3 LYS 2 0.982 4.342 -8.451 17 HG2 LYS 2 HG2 LYS 2 1.596 3.186 -10.427 18 HG3 LYS 2 HG3 LYS 2 0.726 1.734 -9.924 19 HD2 LYS 2 HD2 LYS 2 -1.336 3.348 -9.893 20 HD3 LYS 2 HD3 LYS 2 -0.335 4.323 -10.971 21 HE2 LYS 2 HE2 LYS 2 -1.677 2.926 -12.344 22 HE3 LYS 2 HE3 LYS 2 -0.042 2.269 -12.388 23 HZ1 LYS 2 HZ1 LYS 2 -0.791 0.708 -10.593 24 HZ2 LYS 2 HZ2 LYS 2 -2.374 1.225 -10.888 25 HZ3 LYS 2 HZ3 LYS 2 -1.494 0.454 -12.110 26 H THR 3 H THR 3 3.056 1.269 -9.446 27 HA THR 3 HA THR 3 5.349 3.112 -9.548 28 HB THR 3 HB THR 3 5.559 0.105 -9.780 29 HG1 THR 3 HG1 THR 3 6.570 1.684 -7.654 30 HG21 THR 3 HG21 THR 3 7.660 2.271 -9.640 31 HG22 THR 3 HG22 THR 3 7.981 0.537 -9.634 32 HG23 THR 3 HG23 THR 3 7.259 1.295 -11.053 33 H ILE 4 H ILE 4 5.683 3.906 -11.512 34 HA ILE 4 HA ILE 4 5.169 2.257 -13.862 35 HB ILE 4 HB ILE 4 3.988 5.024 -13.622 36 HG12 ILE 4 HG12 ILE 4 2.594 2.338 -13.573 37 HG13 ILE 4 HG13 ILE 4 2.806 3.399 -12.185 38 HG21 ILE 4 HG21 ILE 4 2.897 3.391 -15.706 39 HG22 ILE 4 HG22 ILE 4 3.715 4.950 -15.823 40 HG23 ILE 4 HG23 ILE 4 4.653 3.456 -15.855 41 HD11 ILE 4 HD11 ILE 4 1.583 4.851 -14.321 42 HD12 ILE 4 HD12 ILE 4 0.691 3.359 -14.019 43 HD13 ILE 4 HD13 ILE 4 0.967 4.505 -12.705 44 HH31 ALY 5 HH31 ALY 5 7.494 9.172 -14.273 45 HH32 ALY 5 HH32 ALY 5 6.461 9.225 -12.825 46 HH33 ALY 5 HH33 ALY 5 6.857 7.663 -13.581 47 HZ ALY 5 HZ ALY 5 6.507 8.623 -16.176 48 HE3 ALY 5 HE3 ALY 5 5.594 6.336 -15.434 49 HE2 ALY 5 HE2 ALY 5 4.238 6.818 -16.457 50 HD3 ALY 5 HD3 ALY 5 5.399 6.464 -18.363 51 HD2 ALY 5 HD2 ALY 5 6.844 7.269 -17.737 52 HG3 ALY 5 HG3 ALY 5 6.000 4.462 -16.939 53 HG2 ALY 5 HG2 ALY 5 7.123 4.806 -18.263 54 HB3 ALY 5 HB3 ALY 5 8.764 5.647 -16.835 55 HB2 ALY 5 HB2 ALY 5 7.616 5.996 -15.551 56 HCA ALY 5 HA ALY 5 8.613 3.246 -16.389 57 H ALY 5 H ALY 5 6.753 2.444 -15.297 58 H GLY 6 H GLY 6 8.847 2.484 -13.641 59 HA2 GLY 6 HA2 GLY 6 10.340 2.582 -11.897 60 HA3 GLY 6 HA3 GLY 6 11.467 3.182 -13.105 61 HH31 ALY 7 HH31 ALY 7 12.180 12.216 -17.002 62 HH32 ALY 7 HH32 ALY 7 12.686 10.510 -17.061 63 HH33 ALY 7 HH33 ALY 7 11.145 11.009 -17.799 64 HZ ALY 7 HZ ALY 7 12.090 9.639 -14.678 65 HE3 ALY 7 HE3 ALY 7 9.467 9.910 -14.012 66 HE2 ALY 7 HE2 ALY 7 9.573 8.355 -14.843 67 HD3 ALY 7 HD3 ALY 7 10.880 7.404 -13.209 68 HD2 ALY 7 HD2 ALY 7 11.674 8.931 -12.801 69 HG3 ALY 7 HG3 ALY 7 10.363 8.709 -10.931 70 HG2 ALY 7 HG2 ALY 7 9.214 9.566 -11.969 71 HB3 ALY 7 HB3 ALY 7 7.833 7.866 -11.435 72 HB2 ALY 7 HB2 ALY 7 8.689 7.036 -12.728 73 HCA ALY 7 HA ALY 7 10.210 6.652 -10.337 74 H ALY 7 H ALY 7 8.554 4.494 -11.492 75 H THR 8 H THR 8 9.245 7.719 -8.601 76 HA THR 8 HA THR 8 6.923 6.299 -7.477 77 HB THR 8 HB THR 8 8.375 7.921 -5.560 78 HG1 THR 8 HG1 THR 8 10.353 7.159 -5.811 79 HG21 THR 8 HG21 THR 8 6.741 5.881 -5.338 80 HG22 THR 8 HG22 THR 8 8.222 4.938 -5.500 81 HG23 THR 8 HG23 THR 8 8.055 6.098 -4.183 82 H TRP 9 H TRP 9 6.006 7.884 -5.583 83 HA TRP 9 HA TRP 9 5.859 10.632 -6.072 84 HB2 TRP 9 HB2 TRP 9 3.441 10.617 -6.974 85 HB3 TRP 9 HB3 TRP 9 4.752 10.315 -8.113 86 HD1 TRP 9 HD1 TRP 9 2.166 8.295 -6.045 87 HE1 TRP 9 HE1 TRP 9 1.580 6.168 -7.371 88 HE3 TRP 9 HE3 TRP 9 5.405 8.861 -9.960 89 HZ2 TRP 9 HZ2 TRP 9 2.386 4.897 -9.760 90 HZ3 TRP 9 HZ3 TRP 9 5.436 7.144 -11.723 91 HH2 TRP 9 HH2 TRP 9 3.957 5.205 -11.623 92 H ARG 10 H ARG 10 4.251 7.732 -4.932 93 HA ARG 10 HA ARG 10 3.143 7.260 -3.003 94 HB2 ARG 10 HB2 ARG 10 5.124 8.497 -2.028 95 HB3 ARG 10 HB3 ARG 10 4.108 9.931 -1.985 96 HG2 ARG 10 HG2 ARG 10 2.893 7.585 -0.739 97 HG3 ARG 10 HG3 ARG 10 4.381 8.129 0.038 98 HD2 ARG 10 HD2 ARG 10 1.958 9.826 -0.550 99 HD3 ARG 10 HD3 ARG 10 2.424 9.198 1.029 100 HE ARG 10 HE ARG 10 4.513 10.740 -0.125 101 HH11 ARG 10 HH11 ARG 10 1.446 11.000 1.503 102 HH12 ARG 10 HH12 ARG 10 1.785 12.563 2.169 103 HH21 ARG 10 HH21 ARG 10 4.971 12.797 0.748 104 HH22 ARG 10 HH22 ARG 10 3.790 13.584 1.739 105 H THR 11 H THR 11 1.015 7.254 -3.358 106 HA THR 11 HA THR 11 -0.394 9.839 -3.471 107 HB THR 11 HB THR 11 -0.794 8.689 -5.507 108 HG1 THR 11 HG1 THR 11 -3.113 8.023 -5.132 109 HG21 THR 11 HG21 THR 11 -1.588 6.381 -5.626 110 HG22 THR 11 HG22 THR 11 -0.032 6.465 -4.800 111 HG23 THR 11 HG23 THR 11 -1.515 6.257 -3.868 112 HH31 ALY 12 HH31 ALY 12 -9.847 7.202 -2.420 113 HH32 ALY 12 HH32 ALY 12 -9.113 5.729 -3.098 114 HH33 ALY 12 HH33 ALY 12 -10.458 5.602 -1.940 115 HZ ALY 12 HZ ALY 12 -6.825 6.571 -1.602 116 HE3 ALY 12 HE3 ALY 12 -6.500 5.464 0.552 117 HE2 ALY 12 HE2 ALY 12 -6.992 3.965 -0.244 118 HD3 ALY 12 HD3 ALY 12 -4.778 3.694 -0.635 119 HD2 ALY 12 HD2 ALY 12 -5.043 4.839 -1.957 120 HG3 ALY 12 HG3 ALY 12 -4.491 6.709 -0.373 121 HG2 ALY 12 HG2 ALY 12 -4.096 5.499 0.857 122 HB3 ALY 12 HB3 ALY 12 -2.285 4.642 -0.420 123 HB2 ALY 12 HB2 ALY 12 -2.809 5.478 -1.875 124 HCA ALY 12 HA ALY 12 -2.395 7.563 -0.070 125 H ALY 12 H ALY 12 -0.452 6.566 -2.114 126 H GLN 13 H GLN 13 -2.300 5.548 1.721 127 HA GLN 13 HA GLN 13 0.456 5.755 2.718 128 HB2 GLN 13 HB2 GLN 13 -2.157 5.306 4.163 129 HB3 GLN 13 HB3 GLN 13 -0.584 5.223 4.944 130 HG2 GLN 13 HG2 GLN 13 -0.166 7.528 4.521 131 HG3 GLN 13 HG3 GLN 13 -1.588 7.652 3.486 132 HE21 GLN 13 HE21 GLN 13 -1.780 9.494 5.133 133 HE22 GLN 13 HE22 GLN 13 -2.730 9.149 6.533 134 H CYS 14 H CYS 14 1.225 3.971 1.487 135 HA CYS 14 HA CYS 14 0.157 1.430 1.360 136 HB2 CYS 14 HB2 CYS 14 2.380 2.548 0.369 137 HB3 CYS 14 HB3 CYS 14 3.105 1.634 1.688 138 HN1 NH2 15 H1 CYS 14 -0.765 0.790 3.460 Start of MODEL 7 1 H1 ACE 0 H01 ACE 0 3.074 -0.258 -1.627 2 H2 ACE 0 H02 ACE 0 1.253 -0.729 -1.199 3 H TRP 1 H TRP 1 3.298 1.746 -2.591 4 HA TRP 1 HA TRP 1 0.887 3.006 -3.623 5 HB2 TRP 1 HB2 TRP 1 3.731 3.823 -4.209 6 HB3 TRP 1 HB3 TRP 1 2.275 4.810 -4.296 7 HD1 TRP 1 HD1 TRP 1 1.000 4.523 -1.529 8 HE1 TRP 1 HE1 TRP 1 2.188 5.327 0.608 9 HE3 TRP 1 HE3 TRP 1 5.822 4.519 -3.229 10 HZ2 TRP 1 HZ2 TRP 1 4.821 5.888 1.460 11 HZ3 TRP 1 HZ3 TRP 1 7.616 5.204 -1.690 12 HH2 TRP 1 HH2 TRP 1 7.124 5.873 0.605 13 H LYS 2 H LYS 2 1.655 3.960 -6.050 14 HA LYS 2 HA LYS 2 1.680 1.515 -7.661 15 HB2 LYS 2 HB2 LYS 2 -0.168 3.128 -7.990 16 HB3 LYS 2 HB3 LYS 2 1.003 4.352 -8.461 17 HG2 LYS 2 HG2 LYS 2 1.098 3.592 -10.545 18 HG3 LYS 2 HG3 LYS 2 1.302 1.923 -10.008 19 HD2 LYS 2 HD2 LYS 2 -1.230 2.038 -9.478 20 HD3 LYS 2 HD3 LYS 2 -1.224 3.441 -10.548 21 HE2 LYS 2 HE2 LYS 2 -0.504 2.154 -12.391 22 HE3 LYS 2 HE3 LYS 2 -0.070 0.788 -11.365 23 HZ1 LYS 2 HZ1 LYS 2 -2.078 0.157 -12.296 24 HZ2 LYS 2 HZ2 LYS 2 -2.552 0.761 -10.789 25 HZ3 LYS 2 HZ3 LYS 2 -2.753 1.703 -12.180 26 H THR 3 H THR 3 3.052 1.266 -9.454 27 HA THR 3 HA THR 3 5.351 3.104 -9.559 28 HB THR 3 HB THR 3 5.563 0.099 -9.810 29 HG1 THR 3 HG1 THR 3 6.771 0.521 -7.719 30 HG21 THR 3 HG21 THR 3 7.983 0.540 -9.617 31 HG22 THR 3 HG22 THR 3 7.278 1.304 -11.042 32 HG23 THR 3 HG23 THR 3 7.653 2.273 -9.616 33 H ILE 4 H ILE 4 5.686 3.896 -11.524 34 HA ILE 4 HA ILE 4 5.164 2.248 -13.873 35 HB ILE 4 HB ILE 4 3.991 5.018 -13.630 36 HG12 ILE 4 HG12 ILE 4 2.611 2.326 -13.553 37 HG13 ILE 4 HG13 ILE 4 2.787 3.430 -12.195 38 HG21 ILE 4 HG21 ILE 4 3.756 4.947 -15.835 39 HG22 ILE 4 HG22 ILE 4 4.631 3.416 -15.864 40 HG23 ILE 4 HG23 ILE 4 2.873 3.425 -15.715 41 HD11 ILE 4 HD11 ILE 4 1.569 5.080 -13.868 42 HD12 ILE 4 HD12 ILE 4 0.970 3.556 -14.523 43 HD13 ILE 4 HD13 ILE 4 0.682 3.962 -12.831 44 HH31 ALY 5 HH31 ALY 5 4.253 10.008 -16.231 45 HH32 ALY 5 HH32 ALY 5 3.220 9.066 -15.130 46 HH33 ALY 5 HH33 ALY 5 4.018 10.550 -14.554 47 HZ ALY 5 HZ ALY 5 6.851 7.930 -15.341 48 HE3 ALY 5 HE3 ALY 5 5.339 6.157 -15.586 49 HE2 ALY 5 HE2 ALY 5 4.319 7.163 -16.619 50 HD3 ALY 5 HD3 ALY 5 5.418 6.376 -18.407 51 HD2 ALY 5 HD2 ALY 5 6.879 7.184 -17.823 52 HG3 ALY 5 HG3 ALY 5 6.007 4.415 -16.925 53 HG2 ALY 5 HG2 ALY 5 7.130 4.704 -18.262 54 HB3 ALY 5 HB3 ALY 5 8.780 5.587 -16.865 55 HB2 ALY 5 HB2 ALY 5 7.637 5.966 -15.583 56 HCA ALY 5 HA ALY 5 8.642 3.200 -16.363 57 H ALY 5 H ALY 5 6.778 2.407 -15.273 58 H GLY 6 H GLY 6 8.854 2.488 -13.601 59 HA2 GLY 6 HA2 GLY 6 10.332 2.624 -11.847 60 HA3 GLY 6 HA3 GLY 6 11.465 3.213 -13.053 61 HH31 ALY 7 HH31 ALY 7 13.807 10.536 -15.828 62 HH32 ALY 7 HH32 ALY 7 14.684 9.079 -16.356 63 HH33 ALY 7 HH33 ALY 7 13.183 9.561 -17.180 64 HZ ALY 7 HZ ALY 7 11.332 7.728 -15.677 65 HE3 ALY 7 HE3 ALY 7 10.840 10.166 -14.100 66 HE2 ALY 7 HE2 ALY 7 9.596 9.063 -14.697 67 HD3 ALY 7 HD3 ALY 7 10.662 7.222 -13.362 68 HD2 ALY 7 HD2 ALY 7 11.783 8.412 -12.688 69 HG3 ALY 7 HG3 ALY 7 10.264 8.847 -11.095 70 HG2 ALY 7 HG2 ALY 7 9.229 9.547 -12.349 71 HB3 ALY 7 HB3 ALY 7 7.803 7.970 -11.499 72 HB2 ALY 7 HB2 ALY 7 8.559 7.051 -12.794 73 HCA ALY 7 HA ALY 7 10.146 6.745 -10.405 74 H ALY 7 H ALY 7 8.509 4.565 -11.562 75 H THR 8 H THR 8 9.323 7.611 -8.571 76 HA THR 8 HA THR 8 6.942 6.277 -7.487 77 HB THR 8 HB THR 8 8.414 7.893 -5.575 78 HG1 THR 8 HG1 THR 8 10.359 7.374 -6.223 79 HG21 THR 8 HG21 THR 8 8.257 4.917 -5.481 80 HG22 THR 8 HG22 THR 8 8.046 6.097 -4.188 81 HG23 THR 8 HG23 THR 8 6.762 5.845 -5.370 82 H TRP 9 H TRP 9 6.030 7.856 -5.589 83 HA TRP 9 HA TRP 9 5.892 10.607 -6.065 84 HB2 TRP 9 HB2 TRP 9 3.474 10.603 -6.967 85 HB3 TRP 9 HB3 TRP 9 4.782 10.302 -8.106 86 HD1 TRP 9 HD1 TRP 9 2.190 8.281 -6.049 87 HE1 TRP 9 HE1 TRP 9 1.600 6.161 -7.385 88 HE3 TRP 9 HE3 TRP 9 5.434 8.854 -9.959 89 HZ2 TRP 9 HZ2 TRP 9 2.402 4.899 -9.779 90 HZ3 TRP 9 HZ3 TRP 9 5.460 7.146 -11.730 91 HH2 TRP 9 HH2 TRP 9 3.976 5.210 -11.639 92 H ARG 10 H ARG 10 4.274 7.707 -4.939 93 HA ARG 10 HA ARG 10 3.166 7.229 -3.010 94 HB2 ARG 10 HB2 ARG 10 5.151 8.457 -2.033 95 HB3 ARG 10 HB3 ARG 10 4.137 9.894 -1.981 96 HG2 ARG 10 HG2 ARG 10 2.921 7.541 -0.745 97 HG3 ARG 10 HG3 ARG 10 4.410 8.081 0.033 98 HD2 ARG 10 HD2 ARG 10 2.335 10.098 -0.678 99 HD3 ARG 10 HD3 ARG 10 2.076 9.070 0.731 100 HE ARG 10 HE ARG 10 4.665 10.240 0.770 101 HH11 ARG 10 HH11 ARG 10 1.302 10.928 1.346 102 HH12 ARG 10 HH12 ARG 10 1.620 12.190 2.490 103 HH21 ARG 10 HH21 ARG 10 5.099 11.899 2.274 104 HH22 ARG 10 HH22 ARG 10 3.781 12.742 3.016 105 H THR 11 H THR 11 1.038 7.231 -3.357 106 HA THR 11 HA THR 11 -0.364 9.819 -3.468 107 HB THR 11 HB THR 11 -0.774 8.666 -5.501 108 HG1 THR 11 HG1 THR 11 -2.672 9.523 -4.554 109 HG21 THR 11 HG21 THR 11 -1.577 6.359 -5.609 110 HG22 THR 11 HG22 THR 11 -0.015 6.441 -4.794 111 HG23 THR 11 HG23 THR 11 -1.492 6.238 -3.852 112 HH31 ALY 12 HH31 ALY 12 -9.114 4.414 -3.901 113 HH32 ALY 12 HH32 ALY 12 -8.815 5.547 -5.240 114 HH33 ALY 12 HH33 ALY 12 -8.273 3.857 -5.366 115 HZ ALY 12 HZ ALY 12 -7.610 4.172 -2.500 116 HE3 ALY 12 HE3 ALY 12 -5.816 4.069 -1.192 117 HE2 ALY 12 HE2 ALY 12 -5.018 4.213 -2.761 118 HD3 ALY 12 HD3 ALY 12 -4.427 6.418 -2.425 119 HD2 ALY 12 HD2 ALY 12 -5.814 6.746 -1.378 120 HG3 ALY 12 HG3 ALY 12 -4.219 6.700 0.253 121 HG2 ALY 12 HG2 ALY 12 -4.528 4.958 0.181 122 HB3 ALY 12 HB3 ALY 12 -2.365 4.671 -0.265 123 HB2 ALY 12 HB2 ALY 12 -2.674 5.379 -1.845 124 HCA ALY 12 HA ALY 12 -2.350 7.561 -0.048 125 H ALY 12 H ALY 12 -0.426 6.550 -2.102 126 H GLN 13 H GLN 13 -2.266 5.540 1.737 127 HA GLN 13 HA GLN 13 0.497 5.712 2.717 128 HB2 GLN 13 HB2 GLN 13 -2.167 5.558 4.067 129 HB3 GLN 13 HB3 GLN 13 -0.744 4.967 4.913 130 HG2 GLN 13 HG2 GLN 13 -0.013 7.459 3.894 131 HG3 GLN 13 HG3 GLN 13 -1.650 7.663 4.515 132 HE21 GLN 13 HE21 GLN 13 1.028 8.598 5.457 133 HE22 GLN 13 HE22 GLN 13 1.108 8.105 7.111 134 H CYS 14 H CYS 14 1.264 3.929 1.502 135 HA CYS 14 HA CYS 14 0.172 1.400 1.343 136 HB2 CYS 14 HB2 CYS 14 2.426 2.508 0.398 137 HB3 CYS 14 HB3 CYS 14 3.116 1.556 1.710 138 HN1 NH2 15 H1 CYS 14 -0.299 -0.160 3.371 Start of MODEL 8 1 H1 ACE 0 H01 ACE 0 3.096 -0.255 -1.618 2 H2 ACE 0 H02 ACE 0 1.276 -0.728 -1.186 3 H TRP 1 H TRP 1 3.315 1.751 -2.579 4 HA TRP 1 HA TRP 1 0.900 3.003 -3.614 5 HB2 TRP 1 HB2 TRP 1 3.742 3.829 -4.199 6 HB3 TRP 1 HB3 TRP 1 2.283 4.811 -4.288 7 HD1 TRP 1 HD1 TRP 1 1.009 4.522 -1.521 8 HE1 TRP 1 HE1 TRP 1 2.192 5.333 0.616 9 HE3 TRP 1 HE3 TRP 1 5.831 4.533 -3.219 10 HZ2 TRP 1 HZ2 TRP 1 4.822 5.902 1.469 11 HZ3 TRP 1 HZ3 TRP 1 7.621 5.225 -1.680 12 HH2 TRP 1 HH2 TRP 1 7.126 5.895 0.615 13 H LYS 2 H LYS 2 1.664 3.958 -6.039 14 HA LYS 2 HA LYS 2 1.698 1.514 -7.650 15 HB2 LYS 2 HB2 LYS 2 -0.156 3.120 -7.979 16 HB3 LYS 2 HB3 LYS 2 1.010 4.348 -8.453 17 HG2 LYS 2 HG2 LYS 2 1.106 3.582 -10.535 18 HG3 LYS 2 HG3 LYS 2 1.314 1.915 -9.996 19 HD2 LYS 2 HD2 LYS 2 -1.233 2.076 -9.447 20 HD3 LYS 2 HD3 LYS 2 -1.200 3.424 -10.587 21 HE2 LYS 2 HE2 LYS 2 -1.178 2.026 -12.314 22 HE3 LYS 2 HE3 LYS 2 0.236 1.190 -11.671 23 HZ1 LYS 2 HZ1 LYS 2 -1.132 -0.268 -10.438 24 HZ2 LYS 2 HZ2 LYS 2 -2.525 0.643 -10.742 25 HZ3 LYS 2 HZ3 LYS 2 -1.787 -0.218 -11.998 26 H THR 3 H THR 3 3.069 1.271 -9.446 27 HA THR 3 HA THR 3 5.360 3.117 -9.553 28 HB THR 3 HB THR 3 5.600 0.117 -9.821 29 HG1 THR 3 HG1 THR 3 6.142 0.052 -7.724 30 HG21 THR 3 HG21 THR 3 8.039 0.689 -9.444 31 HG22 THR 3 HG22 THR 3 7.363 1.191 -10.994 32 HG23 THR 3 HG23 THR 3 7.593 2.375 -9.706 33 H ILE 4 H ILE 4 5.697 3.904 -11.520 34 HA ILE 4 HA ILE 4 5.177 2.251 -13.866 35 HB ILE 4 HB ILE 4 3.996 5.020 -13.625 36 HG12 ILE 4 HG12 ILE 4 2.626 2.323 -13.551 37 HG13 ILE 4 HG13 ILE 4 2.797 3.427 -12.192 38 HG21 ILE 4 HG21 ILE 4 3.738 4.948 -15.828 39 HG22 ILE 4 HG22 ILE 4 4.656 3.443 -15.860 40 HG23 ILE 4 HG23 ILE 4 2.899 3.402 -15.713 41 HD11 ILE 4 HD11 ILE 4 0.711 4.005 -12.810 42 HD12 ILE 4 HD12 ILE 4 1.584 5.057 -13.924 43 HD13 ILE 4 HD13 ILE 4 0.951 3.510 -14.486 44 HH31 ALY 5 HH31 ALY 5 3.994 9.778 -16.506 45 HH32 ALY 5 HH32 ALY 5 3.006 9.060 -15.211 46 HH33 ALY 5 HH33 ALY 5 3.790 10.638 -14.963 47 HZ ALY 5 HZ ALY 5 6.686 7.996 -15.264 48 HE3 ALY 5 HE3 ALY 5 5.291 6.189 -15.609 49 HE2 ALY 5 HE2 ALY 5 4.240 7.160 -16.644 50 HD3 ALY 5 HD3 ALY 5 5.381 6.455 -18.438 51 HD2 ALY 5 HD2 ALY 5 6.828 7.259 -17.813 52 HG3 ALY 5 HG3 ALY 5 5.962 4.472 -16.972 53 HG2 ALY 5 HG2 ALY 5 7.085 4.783 -18.304 54 HB3 ALY 5 HB3 ALY 5 8.731 5.653 -16.894 55 HB2 ALY 5 HB2 ALY 5 7.587 6.007 -15.606 56 HCA ALY 5 HA ALY 5 8.590 3.253 -16.432 57 H ALY 5 H ALY 5 6.713 2.468 -15.355 58 H GLY 6 H GLY 6 8.834 2.507 -13.681 59 HA2 GLY 6 HA2 GLY 6 10.333 2.619 -11.943 60 HA3 GLY 6 HA3 GLY 6 11.454 3.218 -13.157 61 HH31 ALY 7 HH31 ALY 7 13.273 7.127 -16.767 62 HH32 ALY 7 HH32 ALY 7 11.819 6.217 -16.292 63 HH33 ALY 7 HH33 ALY 7 11.811 7.197 -17.777 64 HZ ALY 7 HZ ALY 7 10.169 7.318 -15.502 65 HE3 ALY 7 HE3 ALY 7 10.110 10.083 -14.491 66 HE2 ALY 7 HE2 ALY 7 8.849 8.870 -14.248 67 HD3 ALY 7 HD3 ALY 7 10.911 7.473 -13.262 68 HD2 ALY 7 HD2 ALY 7 11.557 9.096 -12.983 69 HG3 ALY 7 HG3 ALY 7 10.403 8.689 -10.999 70 HG2 ALY 7 HG2 ALY 7 9.207 9.589 -11.944 71 HB3 ALY 7 HB3 ALY 7 7.825 7.889 -11.459 72 HB2 ALY 7 HB2 ALY 7 8.671 7.051 -12.753 73 HCA ALY 7 HA ALY 7 10.202 6.677 -10.364 74 H ALY 7 H ALY 7 8.558 4.501 -11.489 75 H THR 8 H THR 8 9.276 7.694 -8.599 76 HA THR 8 HA THR 8 6.942 6.291 -7.483 77 HB THR 8 HB THR 8 8.404 7.910 -5.569 78 HG1 THR 8 HG1 THR 8 10.287 7.463 -6.564 79 HG21 THR 8 HG21 THR 8 6.766 5.863 -5.355 80 HG22 THR 8 HG22 THR 8 8.256 4.930 -5.496 81 HG23 THR 8 HG23 THR 8 8.067 6.099 -4.188 82 H TRP 9 H TRP 9 6.027 7.869 -5.585 83 HA TRP 9 HA TRP 9 5.879 10.618 -6.064 84 HB2 TRP 9 HB2 TRP 9 3.460 10.604 -6.965 85 HB3 TRP 9 HB3 TRP 9 4.770 10.308 -8.105 86 HD1 TRP 9 HD1 TRP 9 2.186 8.278 -6.045 87 HE1 TRP 9 HE1 TRP 9 1.603 6.156 -7.378 88 HE3 TRP 9 HE3 TRP 9 5.424 8.861 -9.958 89 HZ2 TRP 9 HZ2 TRP 9 2.407 4.896 -9.772 90 HZ3 TRP 9 HZ3 TRP 9 5.455 7.152 -11.728 91 HH2 TRP 9 HH2 TRP 9 3.978 5.211 -11.634 92 H ARG 10 H ARG 10 4.272 7.714 -4.934 93 HA ARG 10 HA ARG 10 3.166 7.234 -3.005 94 HB2 ARG 10 HB2 ARG 10 5.146 8.472 -2.029 95 HB3 ARG 10 HB3 ARG 10 4.127 9.903 -1.978 96 HG2 ARG 10 HG2 ARG 10 2.920 7.548 -0.740 97 HG3 ARG 10 HG3 ARG 10 4.407 8.094 0.037 98 HD2 ARG 10 HD2 ARG 10 3.470 10.361 0.197 99 HD3 ARG 10 HD3 ARG 10 1.977 9.782 -0.540 100 HE ARG 10 HE ARG 10 1.364 8.915 1.483 101 HH11 ARG 10 HH11 ARG 10 4.785 9.560 1.519 102 HH12 ARG 10 HH12 ARG 10 4.965 9.209 3.206 103 HH21 ARG 10 HH21 ARG 10 1.589 8.451 3.705 104 HH22 ARG 10 HH22 ARG 10 3.147 8.578 4.449 105 H THR 11 H THR 11 1.037 7.227 -3.351 106 HA THR 11 HA THR 11 -0.374 9.810 -3.463 107 HB THR 11 HB THR 11 -0.779 8.656 -5.496 108 HG1 THR 11 HG1 THR 11 -3.019 7.991 -3.874 109 HG21 THR 11 HG21 THR 11 -1.490 6.226 -3.850 110 HG22 THR 11 HG22 THR 11 -1.572 6.347 -5.608 111 HG23 THR 11 HG23 THR 11 -0.012 6.434 -4.789 112 HH31 ALY 12 HH31 ALY 12 -9.737 6.067 -0.520 113 HH32 ALY 12 HH32 ALY 12 -9.065 5.000 0.736 114 HH33 ALY 12 HH33 ALY 12 -8.457 6.664 0.562 115 HZ ALY 12 HZ ALY 12 -6.551 3.950 -1.386 116 HE3 ALY 12 HE3 ALY 12 -6.258 5.267 1.102 117 HE2 ALY 12 HE2 ALY 12 -6.292 3.511 1.289 118 HD3 ALY 12 HD3 ALY 12 -4.059 3.712 0.873 119 HD2 ALY 12 HD2 ALY 12 -4.602 3.678 -0.811 120 HG3 ALY 12 HG3 ALY 12 -4.740 6.210 -0.716 121 HG2 ALY 12 HG2 ALY 12 -3.959 6.127 0.871 122 HB3 ALY 12 HB3 ALY 12 -2.228 4.612 -0.477 123 HB2 ALY 12 HB2 ALY 12 -2.858 5.515 -1.848 124 HCA ALY 12 HA ALY 12 -2.356 7.542 -0.047 125 H ALY 12 H ALY 12 -0.425 6.540 -2.100 126 H GLN 13 H GLN 13 -2.263 5.523 1.739 127 HA GLN 13 HA GLN 13 0.500 5.712 2.722 128 HB2 GLN 13 HB2 GLN 13 -2.006 5.076 4.287 129 HB3 GLN 13 HB3 GLN 13 -0.405 5.391 4.947 130 HG2 GLN 13 HG2 GLN 13 -0.642 7.678 3.750 131 HG3 GLN 13 HG3 GLN 13 -2.362 7.295 3.745 132 HE21 GLN 13 HE21 GLN 13 0.071 8.753 5.436 133 HE22 GLN 13 HE22 GLN 13 -0.663 8.803 6.999 134 H CYS 14 H CYS 14 1.272 3.930 1.507 135 HA CYS 14 HA CYS 14 0.193 1.395 1.356 136 HB2 CYS 14 HB2 CYS 14 2.440 2.512 0.403 137 HB3 CYS 14 HB3 CYS 14 3.136 1.567 1.715 138 HN1 NH2 15 H1 CYS 14 2.052 -0.582 3.105 Start of MODEL 9 1 H1 ACE 0 H01 ACE 0 3.141 -0.137 -1.523 2 H2 ACE 0 H02 ACE 0 1.351 -0.698 -1.149 3 H TRP 1 H TRP 1 3.334 1.791 -2.573 4 HA TRP 1 HA TRP 1 0.901 3.034 -3.589 5 HB2 TRP 1 HB2 TRP 1 3.732 3.888 -4.186 6 HB3 TRP 1 HB3 TRP 1 2.263 4.855 -4.270 7 HD1 TRP 1 HD1 TRP 1 1.006 4.560 -1.495 8 HE1 TRP 1 HE1 TRP 1 2.192 5.388 0.633 9 HE3 TRP 1 HE3 TRP 1 5.818 4.616 -3.218 10 HZ2 TRP 1 HZ2 TRP 1 4.820 5.987 1.470 11 HZ3 TRP 1 HZ3 TRP 1 7.610 5.329 -1.690 12 HH2 TRP 1 HH2 TRP 1 7.120 6.000 0.606 13 H LYS 2 H LYS 2 1.655 3.984 -6.021 14 HA LYS 2 HA LYS 2 1.699 1.533 -7.619 15 HB2 LYS 2 HB2 LYS 2 -0.150 3.147 -7.957 16 HB3 LYS 2 HB3 LYS 2 1.023 4.363 -8.445 17 HG2 LYS 2 HG2 LYS 2 1.081 3.589 -10.522 18 HG3 LYS 2 HG3 LYS 2 1.339 1.931 -9.970 19 HD2 LYS 2 HD2 LYS 2 -1.206 2.036 -9.390 20 HD3 LYS 2 HD3 LYS 2 -1.219 3.366 -10.552 21 HE2 LYS 2 HE2 LYS 2 0.117 1.616 -12.019 22 HE3 LYS 2 HE3 LYS 2 -0.718 0.464 -10.979 23 HZ1 LYS 2 HZ1 LYS 2 -1.790 2.225 -13.032 24 HZ2 LYS 2 HZ2 LYS 2 -2.292 0.680 -12.559 25 HZ3 LYS 2 HZ3 LYS 2 -2.740 2.032 -11.645 26 H THR 3 H THR 3 3.083 1.269 -9.398 27 HA THR 3 HA THR 3 5.370 3.118 -9.519 28 HB THR 3 HB THR 3 5.641 0.122 -9.778 29 HG1 THR 3 HG1 THR 3 6.105 1.804 -7.521 30 HG21 THR 3 HG21 THR 3 7.360 2.317 -10.346 31 HG22 THR 3 HG22 THR 3 8.014 1.454 -8.953 32 HG23 THR 3 HG23 THR 3 7.708 0.592 -10.462 33 H ILE 4 H ILE 4 5.703 3.885 -11.494 34 HA ILE 4 HA ILE 4 5.205 2.199 -13.819 35 HB ILE 4 HB ILE 4 4.013 4.965 -13.628 36 HG12 ILE 4 HG12 ILE 4 2.648 2.267 -13.499 37 HG13 ILE 4 HG13 ILE 4 2.817 3.399 -12.162 38 HG21 ILE 4 HG21 ILE 4 3.716 4.847 -15.826 39 HG22 ILE 4 HG22 ILE 4 4.695 3.380 -15.834 40 HG23 ILE 4 HG23 ILE 4 2.941 3.269 -15.681 41 HD11 ILE 4 HD11 ILE 4 0.630 3.670 -12.947 42 HD12 ILE 4 HD12 ILE 4 1.526 5.045 -13.594 43 HD13 ILE 4 HD13 ILE 4 1.146 3.672 -14.633 44 HH31 ALY 5 HH31 ALY 5 4.522 10.140 -13.639 45 HH32 ALY 5 HH32 ALY 5 3.696 9.540 -15.097 46 HH33 ALY 5 HH33 ALY 5 3.591 8.626 -13.574 47 HZ ALY 5 HZ ALY 5 6.614 8.321 -16.070 48 HE3 ALY 5 HE3 ALY 5 5.242 6.133 -15.683 49 HE2 ALY 5 HE2 ALY 5 4.165 6.962 -16.809 50 HD3 ALY 5 HD3 ALY 5 5.468 6.385 -18.538 51 HD2 ALY 5 HD2 ALY 5 6.854 7.195 -17.795 52 HG3 ALY 5 HG3 ALY 5 5.967 4.411 -16.981 53 HG2 ALY 5 HG2 ALY 5 7.109 4.692 -18.305 54 HB3 ALY 5 HB3 ALY 5 8.732 5.607 -16.885 55 HB2 ALY 5 HB2 ALY 5 7.568 5.955 -15.614 56 HCA ALY 5 HA ALY 5 8.597 3.204 -16.414 57 H ALY 5 H ALY 5 6.712 2.429 -15.345 58 H GLY 6 H GLY 6 8.845 2.483 -13.657 59 HA2 GLY 6 HA2 GLY 6 10.344 2.617 -11.920 60 HA3 GLY 6 HA3 GLY 6 11.461 3.211 -13.140 61 HH31 ALY 7 HH31 ALY 7 9.171 12.382 -17.121 62 HH32 ALY 7 HH32 ALY 7 10.306 12.892 -15.848 63 HH33 ALY 7 HH33 ALY 7 10.656 11.447 -16.827 64 HZ ALY 7 HZ ALY 7 9.620 10.880 -13.558 65 HE3 ALY 7 HE3 ALY 7 8.846 8.681 -14.369 66 HE2 ALY 7 HE2 ALY 7 10.354 8.617 -15.284 67 HD3 ALY 7 HD3 ALY 7 10.844 7.431 -13.312 68 HD2 ALY 7 HD2 ALY 7 11.541 9.031 -13.028 69 HG3 ALY 7 HG3 ALY 7 10.407 8.672 -11.034 70 HG2 ALY 7 HG2 ALY 7 9.197 9.569 -11.965 71 HB3 ALY 7 HB3 ALY 7 7.818 7.877 -11.445 72 HB2 ALY 7 HB2 ALY 7 8.643 7.023 -12.741 73 HCA ALY 7 HA ALY 7 10.201 6.678 -10.359 74 H ALY 7 H ALY 7 8.569 4.478 -11.452 75 H THR 8 H THR 8 9.238 7.750 -8.628 76 HA THR 8 HA THR 8 6.931 6.323 -7.480 77 HB THR 8 HB THR 8 8.409 7.980 -5.599 78 HG1 THR 8 HG1 THR 8 9.859 5.721 -6.445 79 HG21 THR 8 HG21 THR 8 6.766 5.848 -5.444 80 HG22 THR 8 HG22 THR 8 8.329 5.039 -5.333 81 HG23 THR 8 HG23 THR 8 7.902 6.295 -4.172 82 H TRP 9 H TRP 9 5.995 7.904 -5.605 83 HA TRP 9 HA TRP 9 5.832 10.651 -6.102 84 HB2 TRP 9 HB2 TRP 9 3.415 10.614 -7.009 85 HB3 TRP 9 HB3 TRP 9 4.731 10.319 -8.143 86 HD1 TRP 9 HD1 TRP 9 2.153 8.287 -6.081 87 HE1 TRP 9 HE1 TRP 9 1.590 6.151 -7.402 88 HE3 TRP 9 HE3 TRP 9 5.408 8.864 -9.981 89 HZ2 TRP 9 HZ2 TRP 9 2.417 4.878 -9.782 90 HZ3 TRP 9 HZ3 TRP 9 5.460 7.141 -11.738 91 HH2 TRP 9 HH2 TRP 9 3.995 5.190 -11.638 92 H ARG 10 H ARG 10 4.238 7.744 -4.958 93 HA ARG 10 HA ARG 10 3.128 7.271 -3.030 94 HB2 ARG 10 HB2 ARG 10 5.100 8.519 -2.054 95 HB3 ARG 10 HB3 ARG 10 4.078 9.949 -2.017 96 HG2 ARG 10 HG2 ARG 10 2.876 7.595 -0.767 97 HG3 ARG 10 HG3 ARG 10 4.355 8.160 0.014 98 HD2 ARG 10 HD2 ARG 10 2.308 10.180 -0.730 99 HD3 ARG 10 HD3 ARG 10 1.971 9.131 0.646 100 HE ARG 10 HE ARG 10 4.482 10.047 1.128 101 HH11 ARG 10 HH11 ARG 10 1.430 11.574 0.439 102 HH12 ARG 10 HH12 ARG 10 1.790 13.002 1.352 103 HH21 ARG 10 HH21 ARG 10 4.967 11.921 2.334 104 HH22 ARG 10 HH22 ARG 10 3.803 13.199 2.429 105 H THR 11 H THR 11 1.000 7.254 -3.389 106 HA THR 11 HA THR 11 -0.420 9.829 -3.538 107 HB THR 11 HB THR 11 -0.833 8.625 -5.539 108 HG1 THR 11 HG1 THR 11 -2.727 9.490 -4.501 109 HG21 THR 11 HG21 THR 11 -1.632 6.307 -5.579 110 HG22 THR 11 HG22 THR 11 -0.053 6.424 -4.801 111 HG23 THR 11 HG23 THR 11 -1.507 6.232 -3.821 112 HH31 ALY 12 HH31 ALY 12 -4.574 3.317 -4.916 113 HH32 ALY 12 HH32 ALY 12 -3.030 2.739 -5.587 114 HH33 ALY 12 HH33 ALY 12 -4.568 2.098 -6.213 115 HZ ALY 12 HZ ALY 12 -3.959 0.905 -2.458 116 HE3 ALY 12 HE3 ALY 12 -2.210 1.941 -1.615 117 HE2 ALY 12 HE2 ALY 12 -1.740 2.081 -3.313 118 HD3 ALY 12 HD3 ALY 12 -2.011 4.312 -3.293 119 HD2 ALY 12 HD2 ALY 12 -3.629 4.174 -2.591 120 HG3 ALY 12 HG3 ALY 12 -2.222 3.604 -0.389 121 HG2 ALY 12 HG2 ALY 12 -0.977 4.534 -1.237 122 HB3 ALY 12 HB3 ALY 12 -3.411 5.961 -1.527 123 HB2 ALY 12 HB2 ALY 12 -3.340 5.450 0.155 124 HCA ALY 12 HA ALY 12 -2.347 7.655 -0.034 125 H ALY 12 H ALY 12 -0.439 6.601 -2.080 126 H GLN 13 H GLN 13 -2.266 5.657 1.778 127 HA GLN 13 HA GLN 13 0.510 5.812 2.724 128 HB2 GLN 13 HB2 GLN 13 -2.118 5.968 4.030 129 HB3 GLN 13 HB3 GLN 13 -0.947 4.968 4.881 130 HG2 GLN 13 HG2 GLN 13 0.608 6.808 4.988 131 HG3 GLN 13 HG3 GLN 13 -0.474 7.814 4.026 132 HE21 GLN 13 HE21 GLN 13 -1.873 9.057 5.063 133 HE22 GLN 13 HE22 GLN 13 -2.288 8.930 6.736 134 H CYS 14 H CYS 14 1.297 4.012 1.588 135 HA CYS 14 HA CYS 14 0.182 1.492 1.415 136 HB2 CYS 14 HB2 CYS 14 2.506 2.594 0.574 137 HB3 CYS 14 HB3 CYS 14 3.106 1.563 1.869 138 HN1 NH2 15 H1 CYS 14 -0.518 1.727 4.415 Start of MODEL 10 1 H1 ACE 0 H01 ACE 0 3.079 -0.229 -1.619 2 H2 ACE 0 H02 ACE 0 1.266 -0.728 -1.211 3 H TRP 1 H TRP 1 3.298 1.755 -2.599 4 HA TRP 1 HA TRP 1 0.883 3.019 -3.622 5 HB2 TRP 1 HB2 TRP 1 3.725 3.841 -4.206 6 HB3 TRP 1 HB3 TRP 1 2.268 4.827 -4.293 7 HD1 TRP 1 HD1 TRP 1 0.994 4.532 -1.526 8 HE1 TRP 1 HE1 TRP 1 2.179 5.336 0.613 9 HE3 TRP 1 HE3 TRP 1 5.816 4.542 -3.225 10 HZ2 TRP 1 HZ2 TRP 1 4.809 5.901 1.466 11 HZ3 TRP 1 HZ3 TRP 1 7.607 5.228 -1.684 12 HH2 TRP 1 HH2 TRP 1 7.112 5.893 0.612 13 H LYS 2 H LYS 2 1.647 3.980 -6.046 14 HA LYS 2 HA LYS 2 1.668 1.540 -7.663 15 HB2 LYS 2 HB2 LYS 2 -0.170 3.166 -7.990 16 HB3 LYS 2 HB3 LYS 2 1.009 4.383 -8.460 17 HG2 LYS 2 HG2 LYS 2 1.063 3.636 -10.547 18 HG3 LYS 2 HG3 LYS 2 1.323 1.973 -10.017 19 HD2 LYS 2 HD2 LYS 2 -1.258 2.179 -9.408 20 HD3 LYS 2 HD3 LYS 2 -1.200 3.388 -10.692 21 HE2 LYS 2 HE2 LYS 2 -0.376 1.782 -12.259 22 HE3 LYS 2 HE3 LYS 2 -0.147 0.580 -10.989 23 HZ1 LYS 2 HZ1 LYS 2 -2.506 1.230 -12.471 24 HZ2 LYS 2 HZ2 LYS 2 -2.160 -0.142 -11.542 25 HZ3 LYS 2 HZ3 LYS 2 -2.781 1.248 -10.801 26 H THR 3 H THR 3 3.050 1.277 -9.441 27 HA THR 3 HA THR 3 5.352 3.109 -9.549 28 HB THR 3 HB THR 3 5.594 0.113 -9.837 29 HG1 THR 3 HG1 THR 3 5.843 -0.010 -7.732 30 HG21 THR 3 HG21 THR 3 7.534 0.796 -10.764 31 HG22 THR 3 HG22 THR 3 7.416 2.410 -10.066 32 HG23 THR 3 HG23 THR 3 8.028 1.073 -9.094 33 H ILE 4 H ILE 4 5.661 3.907 -11.514 34 HA ILE 4 HA ILE 4 5.162 2.245 -13.859 35 HB ILE 4 HB ILE 4 3.981 5.014 -13.649 36 HG12 ILE 4 HG12 ILE 4 2.586 2.332 -13.522 37 HG13 ILE 4 HG13 ILE 4 2.803 3.435 -12.167 38 HG21 ILE 4 HG21 ILE 4 4.620 3.393 -15.855 39 HG22 ILE 4 HG22 ILE 4 2.865 3.344 -15.688 40 HG23 ILE 4 HG23 ILE 4 3.691 4.893 -15.846 41 HD11 ILE 4 HD11 ILE 4 1.564 5.112 -13.758 42 HD12 ILE 4 HD12 ILE 4 0.973 3.623 -14.495 43 HD13 ILE 4 HD13 ILE 4 0.671 3.940 -12.788 44 HH31 ALY 5 HH31 ALY 5 6.460 10.808 -14.307 45 HH32 ALY 5 HH32 ALY 5 4.913 10.666 -15.177 46 HH33 ALY 5 HH33 ALY 5 5.024 10.173 -13.471 47 HZ ALY 5 HZ ALY 5 5.972 8.806 -16.737 48 HE3 ALY 5 HE3 ALY 5 5.543 6.364 -15.439 49 HE2 ALY 5 HE2 ALY 5 4.194 6.705 -16.526 50 HD3 ALY 5 HD3 ALY 5 5.460 6.451 -18.399 51 HD2 ALY 5 HD2 ALY 5 6.871 7.237 -17.678 52 HG3 ALY 5 HG3 ALY 5 5.976 4.456 -16.871 53 HG2 ALY 5 HG2 ALY 5 7.079 4.735 -18.226 54 HB3 ALY 5 HB3 ALY 5 8.761 5.602 -16.852 55 HB2 ALY 5 HB2 ALY 5 7.643 5.981 -15.549 56 HCA ALY 5 HA ALY 5 8.626 3.218 -16.362 57 H ALY 5 H ALY 5 6.772 2.411 -15.262 58 H GLY 6 H GLY 6 8.849 2.480 -13.607 59 HA2 GLY 6 HA2 GLY 6 10.335 2.598 -11.857 60 HA3 GLY 6 HA3 GLY 6 11.464 3.193 -13.064 61 HH31 ALY 7 HH31 ALY 7 14.329 9.241 -15.482 62 HH32 ALY 7 HH32 ALY 7 14.026 10.914 -16.011 63 HH33 ALY 7 HH33 ALY 7 14.795 10.603 -14.437 64 HZ ALY 7 HZ ALY 7 12.282 8.543 -15.283 65 HE3 ALY 7 HE3 ALY 7 9.968 9.953 -14.130 66 HE2 ALY 7 HE2 ALY 7 9.883 8.432 -15.022 67 HD3 ALY 7 HD3 ALY 7 10.730 7.197 -13.287 68 HD2 ALY 7 HD2 ALY 7 11.786 8.503 -12.730 69 HG3 ALY 7 HG3 ALY 7 10.303 8.802 -11.062 70 HG2 ALY 7 HG2 ALY 7 9.249 9.534 -12.282 71 HB3 ALY 7 HB3 ALY 7 7.825 7.948 -11.460 72 HB2 ALY 7 HB2 ALY 7 8.574 7.038 -12.764 73 HCA ALY 7 HA ALY 7 10.168 6.708 -10.384 74 H ALY 7 H ALY 7 8.519 4.543 -11.551 75 H THR 8 H THR 8 9.292 7.662 -8.589 76 HA THR 8 HA THR 8 6.936 6.291 -7.484 77 HB THR 8 HB THR 8 8.405 7.909 -5.573 78 HG1 THR 8 HG1 THR 8 10.238 7.421 -6.750 79 HG21 THR 8 HG21 THR 8 8.043 6.113 -4.186 80 HG22 THR 8 HG22 THR 8 6.759 5.857 -5.367 81 HG23 THR 8 HG23 THR 8 8.257 4.933 -5.479 82 H TRP 9 H TRP 9 6.021 7.869 -5.589 83 HA TRP 9 HA TRP 9 5.881 10.619 -6.065 84 HB2 TRP 9 HB2 TRP 9 3.463 10.613 -6.971 85 HB3 TRP 9 HB3 TRP 9 4.775 10.315 -8.108 86 HD1 TRP 9 HD1 TRP 9 2.184 8.286 -6.056 87 HE1 TRP 9 HE1 TRP 9 1.598 6.167 -7.395 88 HE3 TRP 9 HE3 TRP 9 5.429 8.871 -9.963 89 HZ2 TRP 9 HZ2 TRP 9 2.405 4.910 -9.790 90 HZ3 TRP 9 HZ3 TRP 9 5.460 7.166 -11.737 91 HH2 TRP 9 HH2 TRP 9 3.979 5.226 -11.649 92 H ARG 10 H ARG 10 4.264 7.717 -4.941 93 HA ARG 10 HA ARG 10 3.152 7.238 -3.015 94 HB2 ARG 10 HB2 ARG 10 5.134 8.469 -2.034 95 HB3 ARG 10 HB3 ARG 10 4.120 9.905 -1.985 96 HG2 ARG 10 HG2 ARG 10 2.903 7.550 -0.751 97 HG3 ARG 10 HG3 ARG 10 4.390 8.093 0.030 98 HD2 ARG 10 HD2 ARG 10 2.026 9.856 -0.597 99 HD3 ARG 10 HD3 ARG 10 2.347 9.127 0.976 100 HE ARG 10 HE ARG 10 4.632 10.494 0.378 101 HH11 ARG 10 HH11 ARG 10 1.259 11.322 0.618 102 HH12 ARG 10 HH12 ARG 10 1.560 12.955 1.113 103 HH21 ARG 10 HH21 ARG 10 5.042 12.642 1.030 104 HH22 ARG 10 HH22 ARG 10 3.713 13.705 1.347 105 H THR 11 H THR 11 1.025 7.237 -3.368 106 HA THR 11 HA THR 11 -0.380 9.824 -3.483 107 HB THR 11 HB THR 11 -0.787 8.665 -5.514 108 HG1 THR 11 HG1 THR 11 -3.040 7.974 -3.932 109 HG21 THR 11 HG21 THR 11 -1.589 6.357 -5.616 110 HG22 THR 11 HG22 THR 11 -0.026 6.444 -4.803 111 HG23 THR 11 HG23 THR 11 -1.501 6.240 -3.859 112 HH31 ALY 12 HH31 ALY 12 -9.013 1.482 1.485 113 HH32 ALY 12 HH32 ALY 12 -8.359 1.794 -0.141 114 HH33 ALY 12 HH33 ALY 12 -7.745 0.427 0.818 115 HZ ALY 12 HZ ALY 12 -7.720 3.980 0.787 116 HE3 ALY 12 HE3 ALY 12 -6.172 5.494 1.194 117 HE2 ALY 12 HE2 ALY 12 -5.606 4.283 2.347 118 HD3 ALY 12 HD3 ALY 12 -3.696 4.028 1.203 119 HD2 ALY 12 HD2 ALY 12 -4.598 3.599 -0.258 120 HG3 ALY 12 HG3 ALY 12 -4.832 5.955 -0.855 121 HG2 ALY 12 HG2 ALY 12 -4.060 6.449 0.659 122 HB3 ALY 12 HB3 ALY 12 -2.260 4.643 -0.477 123 HB2 ALY 12 HB2 ALY 12 -2.873 5.542 -1.857 124 HCA ALY 12 HA ALY 12 -2.362 7.573 -0.058 125 H ALY 12 H ALY 12 -0.437 6.559 -2.108 126 H GLN 13 H GLN 13 -2.280 5.554 1.730 127 HA GLN 13 HA GLN 13 0.483 5.724 2.709 128 HB2 GLN 13 HB2 GLN 13 -0.580 5.159 4.938 129 HB3 GLN 13 HB3 GLN 13 -1.001 6.726 4.260 130 HG2 GLN 13 HG2 GLN 13 -3.165 6.157 3.912 131 HG3 GLN 13 HG3 GLN 13 -2.788 4.459 3.621 132 HE21 GLN 13 HE21 GLN 13 -4.794 5.773 5.359 133 HE22 GLN 13 HE22 GLN 13 -4.524 5.122 6.935 134 H CYS 14 H CYS 14 1.255 3.939 1.509 135 HA CYS 14 HA CYS 14 0.160 1.411 1.346 136 HB2 CYS 14 HB2 CYS 14 2.430 2.520 0.425 137 HB3 CYS 14 HB3 CYS 14 3.100 1.548 1.732 138 HN1 NH2 15 H1 CYS 14 -0.708 0.456 3.448 Start of MODEL 11 1 H1 ACE 0 H01 ACE 0 3.188 -0.178 -1.544 2 H2 ACE 0 H02 ACE 0 1.377 -0.672 -1.103 3 H TRP 1 H TRP 1 3.381 1.814 -2.535 4 HA TRP 1 HA TRP 1 0.948 3.030 -3.568 5 HB2 TRP 1 HB2 TRP 1 3.777 3.879 -4.177 6 HB3 TRP 1 HB3 TRP 1 2.308 4.846 -4.270 7 HD1 TRP 1 HD1 TRP 1 1.050 4.574 -1.493 8 HE1 TRP 1 HE1 TRP 1 2.235 5.421 0.629 9 HE3 TRP 1 HE3 TRP 1 5.863 4.617 -3.215 10 HZ2 TRP 1 HZ2 TRP 1 4.863 6.027 1.462 11 HZ3 TRP 1 HZ3 TRP 1 7.654 5.344 -1.692 12 HH2 TRP 1 HH2 TRP 1 7.162 6.035 0.597 13 H LYS 2 H LYS 2 1.690 3.967 -6.008 14 HA LYS 2 HA LYS 2 1.739 1.505 -7.593 15 HB2 LYS 2 HB2 LYS 2 -0.130 3.092 -7.930 16 HB3 LYS 2 HB3 LYS 2 1.024 4.324 -8.423 17 HG2 LYS 2 HG2 LYS 2 1.107 3.542 -10.499 18 HG3 LYS 2 HG3 LYS 2 1.351 1.884 -9.943 19 HD2 LYS 2 HD2 LYS 2 -1.229 2.116 -9.347 20 HD3 LYS 2 HD3 LYS 2 -1.158 3.311 -10.645 21 HE2 LYS 2 HE2 LYS 2 -1.368 1.620 -12.077 22 HE3 LYS 2 HE3 LYS 2 0.263 1.132 -11.622 23 HZ1 LYS 2 HZ1 LYS 2 -2.315 0.082 -10.656 24 HZ2 LYS 2 HZ2 LYS 2 -0.978 -0.764 -11.257 25 HZ3 LYS 2 HZ3 LYS 2 -0.922 -0.081 -9.710 26 H THR 3 H THR 3 3.108 1.250 -9.386 27 HA THR 3 HA THR 3 5.381 3.116 -9.527 28 HB THR 3 HB THR 3 5.612 0.106 -9.701 29 HG1 THR 3 HG1 THR 3 5.228 0.773 -7.555 30 HG21 THR 3 HG21 THR 3 7.303 1.163 -11.029 31 HG22 THR 3 HG22 THR 3 7.657 2.325 -9.750 32 HG23 THR 3 HG23 THR 3 8.058 0.622 -9.530 33 H ILE 4 H ILE 4 5.688 3.888 -11.504 34 HA ILE 4 HA ILE 4 5.182 2.200 -13.827 35 HB ILE 4 HB ILE 4 3.973 4.957 -13.625 36 HG12 ILE 4 HG12 ILE 4 2.618 2.255 -13.495 37 HG13 ILE 4 HG13 ILE 4 2.810 3.368 -12.146 38 HG21 ILE 4 HG21 ILE 4 4.651 3.386 -15.837 39 HG22 ILE 4 HG22 ILE 4 2.900 3.241 -15.668 40 HG23 ILE 4 HG23 ILE 4 3.643 4.834 -15.818 41 HD11 ILE 4 HD11 ILE 4 0.944 4.406 -12.702 42 HD12 ILE 4 HD12 ILE 4 1.562 4.728 -14.322 43 HD13 ILE 4 HD13 ILE 4 0.702 3.224 -13.989 44 HH31 ALY 5 HH31 ALY 5 3.820 9.814 -15.009 45 HH32 ALY 5 HH32 ALY 5 3.700 8.915 -13.477 46 HH33 ALY 5 HH33 ALY 5 4.865 10.251 -13.637 47 HZ ALY 5 HZ ALY 5 6.385 8.456 -16.272 48 HE3 ALY 5 HE3 ALY 5 5.178 6.135 -15.714 49 HE2 ALY 5 HE2 ALY 5 4.089 6.867 -16.896 50 HD3 ALY 5 HD3 ALY 5 5.488 6.387 -18.582 51 HD2 ALY 5 HD2 ALY 5 6.830 7.197 -17.763 52 HG3 ALY 5 HG3 ALY 5 5.934 4.414 -16.976 53 HG2 ALY 5 HG2 ALY 5 7.080 4.677 -18.298 54 HB3 ALY 5 HB3 ALY 5 8.695 5.620 -16.879 55 HB2 ALY 5 HB2 ALY 5 7.526 5.952 -15.609 56 HCA ALY 5 HA ALY 5 8.573 3.210 -16.419 57 H ALY 5 H ALY 5 6.718 2.410 -15.317 58 H GLY 6 H GLY 6 8.841 2.488 -13.664 59 HA2 GLY 6 HA2 GLY 6 10.349 2.628 -11.935 60 HA3 GLY 6 HA3 GLY 6 11.457 3.226 -13.161 61 HH31 ALY 7 HH31 ALY 7 10.241 7.422 -18.216 62 HH32 ALY 7 HH32 ALY 7 11.910 8.031 -18.330 63 HH33 ALY 7 HH33 ALY 7 11.492 6.800 -17.115 64 HZ ALY 7 HZ ALY 7 10.409 7.483 -15.336 65 HE3 ALY 7 HE3 ALY 7 10.565 10.163 -14.539 66 HE2 ALY 7 HE2 ALY 7 8.975 9.508 -14.137 67 HD3 ALY 7 HD3 ALY 7 10.738 7.478 -13.384 68 HD2 ALY 7 HD2 ALY 7 11.590 8.959 -12.929 69 HG3 ALY 7 HG3 ALY 7 10.343 8.728 -11.029 70 HG2 ALY 7 HG2 ALY 7 9.142 9.593 -12.000 71 HB3 ALY 7 HB3 ALY 7 7.790 7.873 -11.494 72 HB2 ALY 7 HB2 ALY 7 8.651 7.042 -12.782 73 HCA ALY 7 HA ALY 7 10.190 6.701 -10.398 74 H ALY 7 H ALY 7 8.556 4.503 -11.496 75 H THR 8 H THR 8 9.240 7.762 -8.657 76 HA THR 8 HA THR 8 6.937 6.335 -7.503 77 HB THR 8 HB THR 8 8.391 7.992 -5.616 78 HG1 THR 8 HG1 THR 8 10.344 7.502 -6.265 79 HG21 THR 8 HG21 THR 8 8.048 6.214 -4.209 80 HG22 THR 8 HG22 THR 8 6.781 5.904 -5.398 81 HG23 THR 8 HG23 THR 8 8.304 5.019 -5.481 82 H TRP 9 H TRP 9 6.014 7.924 -5.621 83 HA TRP 9 HA TRP 9 5.835 10.667 -6.130 84 HB2 TRP 9 HB2 TRP 9 3.413 10.618 -7.019 85 HB3 TRP 9 HB3 TRP 9 4.720 10.322 -8.162 86 HD1 TRP 9 HD1 TRP 9 2.167 8.288 -6.067 87 HE1 TRP 9 HE1 TRP 9 1.600 6.145 -7.375 88 HE3 TRP 9 HE3 TRP 9 5.381 8.863 -10.002 89 HZ2 TRP 9 HZ2 TRP 9 2.408 4.866 -9.758 90 HZ3 TRP 9 HZ3 TRP 9 5.423 7.134 -11.753 91 HH2 TRP 9 HH2 TRP 9 3.966 5.178 -11.631 92 H ARG 10 H ARG 10 4.263 7.759 -4.960 93 HA ARG 10 HA ARG 10 3.170 7.289 -3.021 94 HB2 ARG 10 HB2 ARG 10 5.142 8.559 -2.067 95 HB3 ARG 10 HB3 ARG 10 4.109 9.980 -2.029 96 HG2 ARG 10 HG2 ARG 10 2.930 7.628 -0.759 97 HG3 ARG 10 HG3 ARG 10 4.415 8.197 0.006 98 HD2 ARG 10 HD2 ARG 10 3.490 10.183 0.642 99 HD3 ARG 10 HD3 ARG 10 2.374 10.223 -0.723 100 HE ARG 10 HE ARG 10 1.687 8.119 1.030 101 HH11 ARG 10 HH11 ARG 10 1.605 11.590 0.772 102 HH12 ARG 10 HH12 ARG 10 0.225 11.764 1.804 103 HH21 ARG 10 HH21 ARG 10 -0.130 8.336 2.392 104 HH22 ARG 10 HH22 ARG 10 -0.761 9.913 2.725 105 H THR 11 H THR 11 1.041 7.257 -3.358 106 HA THR 11 HA THR 11 -0.397 9.824 -3.494 107 HB THR 11 HB THR 11 -0.800 8.640 -5.511 108 HG1 THR 11 HG1 THR 11 -3.045 7.910 -3.944 109 HG21 THR 11 HG21 THR 11 -0.007 6.435 -4.780 110 HG22 THR 11 HG22 THR 11 -1.479 6.223 -3.830 111 HG23 THR 11 HG23 THR 11 -1.571 6.322 -5.588 112 HH31 ALY 12 HH31 ALY 12 -8.783 4.004 1.261 113 HH32 ALY 12 HH32 ALY 12 -9.212 5.544 2.046 114 HH33 ALY 12 HH33 ALY 12 -10.347 4.775 0.911 115 HZ ALY 12 HZ ALY 12 -7.676 4.588 -1.155 116 HE3 ALY 12 HE3 ALY 12 -6.822 6.685 -1.871 117 HE2 ALY 12 HE2 ALY 12 -6.249 6.990 -0.228 118 HD3 ALY 12 HD3 ALY 12 -5.300 4.450 -1.416 119 HD2 ALY 12 HD2 ALY 12 -4.730 5.907 -2.243 120 HG3 ALY 12 HG3 ALY 12 -4.206 6.736 0.209 121 HG2 ALY 12 HG2 ALY 12 -4.252 5.009 0.595 122 HB3 ALY 12 HB3 ALY 12 -2.247 4.662 -0.319 123 HB2 ALY 12 HB2 ALY 12 -2.727 5.445 -1.818 124 HCA ALY 12 HA ALY 12 -2.338 7.579 -0.040 125 H ALY 12 H ALY 12 -0.408 6.571 -2.089 126 H GLN 13 H GLN 13 -2.217 5.582 1.771 127 HA GLN 13 HA GLN 13 0.548 5.808 2.736 128 HB2 GLN 13 HB2 GLN 13 -2.111 5.683 4.083 129 HB3 GLN 13 HB3 GLN 13 -0.714 5.043 4.938 130 HG2 GLN 13 HG2 GLN 13 0.406 7.265 4.496 131 HG3 GLN 13 HG3 GLN 13 -1.176 7.849 3.984 132 HE21 GLN 13 HE21 GLN 13 0.758 6.771 6.656 133 HE22 GLN 13 HE22 GLN 13 -0.306 7.306 7.907 134 H CYS 14 H CYS 14 1.334 4.020 1.541 135 HA CYS 14 HA CYS 14 0.277 1.474 1.422 136 HB2 CYS 14 HB2 CYS 14 2.513 2.601 0.452 137 HB3 CYS 14 HB3 CYS 14 3.220 1.675 1.771 138 HN1 NH2 15 H1 CYS 14 3.214 1.481 3.734 Start of MODEL 12 1 H1 ACE 0 H01 ACE 0 3.183 -0.186 -1.555 2 H2 ACE 0 H02 ACE 0 1.370 -0.670 -1.107 3 H TRP 1 H TRP 1 3.380 1.811 -2.538 4 HA TRP 1 HA TRP 1 0.949 3.030 -3.573 5 HB2 TRP 1 HB2 TRP 1 3.780 3.874 -4.180 6 HB3 TRP 1 HB3 TRP 1 2.313 4.843 -4.274 7 HD1 TRP 1 HD1 TRP 1 1.052 4.574 -1.498 8 HE1 TRP 1 HE1 TRP 1 2.239 5.419 0.625 9 HE3 TRP 1 HE3 TRP 1 5.867 4.609 -3.218 10 HZ2 TRP 1 HZ2 TRP 1 4.866 6.021 1.459 11 HZ3 TRP 1 HZ3 TRP 1 7.659 5.334 -1.694 12 HH2 TRP 1 HH2 TRP 1 7.167 6.025 0.594 13 H LYS 2 H LYS 2 1.692 3.966 -6.012 14 HA LYS 2 HA LYS 2 1.736 1.506 -7.597 15 HB2 LYS 2 HB2 LYS 2 -0.130 3.094 -7.935 16 HB3 LYS 2 HB3 LYS 2 1.025 4.326 -8.424 17 HG2 LYS 2 HG2 LYS 2 1.102 3.550 -10.503 18 HG3 LYS 2 HG3 LYS 2 1.355 1.892 -9.950 19 HD2 LYS 2 HD2 LYS 2 -1.201 2.032 -9.367 20 HD3 LYS 2 HD3 LYS 2 -1.188 3.325 -10.568 21 HE2 LYS 2 HE2 LYS 2 0.255 1.310 -11.778 22 HE3 LYS 2 HE3 LYS 2 -1.015 0.440 -10.921 23 HZ1 LYS 2 HZ1 LYS 2 -1.937 0.926 -12.983 24 HZ2 LYS 2 HZ2 LYS 2 -2.574 2.134 -11.985 25 HZ3 LYS 2 HZ3 LYS 2 -1.291 2.489 -13.030 26 H THR 3 H THR 3 3.106 1.245 -9.387 27 HA THR 3 HA THR 3 5.381 3.110 -9.530 28 HB THR 3 HB THR 3 5.650 0.110 -9.770 29 HG1 THR 3 HG1 THR 3 6.090 1.844 -7.555 30 HG21 THR 3 HG21 THR 3 7.302 1.894 -10.809 31 HG22 THR 3 HG22 THR 3 7.894 1.968 -9.150 32 HG23 THR 3 HG23 THR 3 7.906 0.436 -10.023 33 H ILE 4 H ILE 4 5.673 3.889 -11.505 34 HA ILE 4 HA ILE 4 5.173 2.199 -13.830 35 HB ILE 4 HB ILE 4 3.966 4.958 -13.638 36 HG12 ILE 4 HG12 ILE 4 2.585 2.269 -13.495 37 HG13 ILE 4 HG13 ILE 4 2.825 3.358 -12.133 38 HG21 ILE 4 HG21 ILE 4 3.587 4.809 -15.824 39 HG22 ILE 4 HG22 ILE 4 4.637 3.392 -15.840 40 HG23 ILE 4 HG23 ILE 4 2.894 3.195 -15.654 41 HD11 ILE 4 HD11 ILE 4 1.504 5.066 -13.435 42 HD12 ILE 4 HD12 ILE 4 1.088 3.760 -14.545 43 HD13 ILE 4 HD13 ILE 4 0.608 3.665 -12.851 44 HH31 ALY 5 HH31 ALY 5 3.003 9.465 -15.524 45 HH32 ALY 5 HH32 ALY 5 3.355 9.539 -13.780 46 HH33 ALY 5 HH33 ALY 5 4.124 10.695 -14.895 47 HZ ALY 5 HZ ALY 5 6.048 8.622 -16.487 48 HE3 ALY 5 HE3 ALY 5 5.301 6.249 -15.649 49 HE2 ALY 5 HE2 ALY 5 4.067 6.553 -16.874 50 HD3 ALY 5 HD3 ALY 5 5.539 6.370 -18.601 51 HD2 ALY 5 HD2 ALY 5 6.839 7.182 -17.718 52 HG3 ALY 5 HG3 ALY 5 5.950 4.390 -16.970 53 HG2 ALY 5 HG2 ALY 5 7.105 4.656 -18.286 54 HB3 ALY 5 HB3 ALY 5 8.707 5.606 -16.857 55 HB2 ALY 5 HB2 ALY 5 7.529 5.938 -15.595 56 HCA ALY 5 HA ALY 5 8.587 3.196 -16.393 57 H ALY 5 H ALY 5 6.741 2.387 -15.281 58 H GLY 6 H GLY 6 8.846 2.484 -13.634 59 HA2 GLY 6 HA2 GLY 6 10.347 2.631 -11.901 60 HA3 GLY 6 HA3 GLY 6 11.459 3.226 -13.125 61 HH31 ALY 7 HH31 ALY 7 11.273 9.681 -18.640 62 HH32 ALY 7 HH32 ALY 7 11.651 10.887 -17.388 63 HH33 ALY 7 HH33 ALY 7 12.870 9.677 -17.856 64 HZ ALY 7 HZ ALY 7 11.065 10.433 -15.537 65 HE3 ALY 7 HE3 ALY 7 9.432 9.809 -14.237 66 HE2 ALY 7 HE2 ALY 7 9.519 8.198 -14.956 67 HD3 ALY 7 HD3 ALY 7 10.839 7.353 -13.269 68 HD2 ALY 7 HD2 ALY 7 11.620 8.909 -12.951 69 HG3 ALY 7 HG3 ALY 7 10.297 8.784 -11.078 70 HG2 ALY 7 HG2 ALY 7 9.158 9.583 -12.172 71 HB3 ALY 7 HB3 ALY 7 7.782 7.915 -11.510 72 HB2 ALY 7 HB2 ALY 7 8.597 7.044 -12.801 73 HCA ALY 7 HA ALY 7 10.165 6.731 -10.420 74 H ALY 7 H ALY 7 8.531 4.534 -11.536 75 H THR 8 H THR 8 9.264 7.729 -8.645 76 HA THR 8 HA THR 8 6.940 6.330 -7.507 77 HB THR 8 HB THR 8 8.393 7.983 -5.617 78 HG1 THR 8 HG1 THR 8 10.363 7.437 -6.129 79 HG21 THR 8 HG21 THR 8 6.783 5.917 -5.375 80 HG22 THR 8 HG22 THR 8 8.284 5.002 -5.516 81 HG23 THR 8 HG23 THR 8 8.087 6.181 -4.218 82 H TRP 9 H TRP 9 6.019 7.920 -5.622 83 HA TRP 9 HA TRP 9 5.844 10.663 -6.130 84 HB2 TRP 9 HB2 TRP 9 3.421 10.617 -7.018 85 HB3 TRP 9 HB3 TRP 9 4.728 10.320 -8.162 86 HD1 TRP 9 HD1 TRP 9 2.175 8.287 -6.067 87 HE1 TRP 9 HE1 TRP 9 1.604 6.146 -7.376 88 HE3 TRP 9 HE3 TRP 9 5.384 8.863 -10.004 89 HZ2 TRP 9 HZ2 TRP 9 2.408 4.870 -9.762 90 HZ3 TRP 9 HZ3 TRP 9 5.422 7.136 -11.756 91 HH2 TRP 9 HH2 TRP 9 3.964 5.182 -11.635 92 H ARG 10 H ARG 10 4.269 7.756 -4.960 93 HA ARG 10 HA ARG 10 3.178 7.287 -3.021 94 HB2 ARG 10 HB2 ARG 10 5.151 8.553 -2.067 95 HB3 ARG 10 HB3 ARG 10 4.120 9.976 -2.029 96 HG2 ARG 10 HG2 ARG 10 2.939 7.626 -0.758 97 HG3 ARG 10 HG3 ARG 10 4.424 8.193 0.006 98 HD2 ARG 10 HD2 ARG 10 2.595 10.350 -0.695 99 HD3 ARG 10 HD3 ARG 10 1.898 9.193 0.438 100 HE ARG 10 HE ARG 10 4.014 11.065 0.955 101 HH11 ARG 10 HH11 ARG 10 2.576 8.040 1.907 102 HH12 ARG 10 HH12 ARG 10 3.197 8.104 3.522 103 HH21 ARG 10 HH21 ARG 10 4.838 11.159 3.080 104 HH22 ARG 10 HH22 ARG 10 4.483 9.880 4.189 105 H THR 11 H THR 11 1.047 7.256 -3.358 106 HA THR 11 HA THR 11 -0.389 9.825 -3.490 107 HB THR 11 HB THR 11 -0.791 8.645 -5.509 108 HG1 THR 11 HG1 THR 11 -2.688 9.484 -4.421 109 HG21 THR 11 HG21 THR 11 -1.564 6.328 -5.593 110 HG22 THR 11 HG22 THR 11 -0.002 6.438 -4.781 111 HG23 THR 11 HG23 THR 11 -1.474 6.225 -3.834 112 HH31 ALY 12 HH31 ALY 12 -7.252 1.839 -2.792 113 HH32 ALY 12 HH32 ALY 12 -5.886 1.598 -1.675 114 HH33 ALY 12 HH33 ALY 12 -7.364 0.621 -1.500 115 HZ ALY 12 HZ ALY 12 -8.223 4.367 -1.196 116 HE3 ALY 12 HE3 ALY 12 -6.643 5.844 -0.496 117 HE2 ALY 12 HE2 ALY 12 -6.624 4.579 0.736 118 HD3 ALY 12 HD3 ALY 12 -4.608 3.692 0.002 119 HD2 ALY 12 HD2 ALY 12 -4.825 4.281 -1.651 120 HG3 ALY 12 HG3 ALY 12 -4.526 6.630 -0.764 121 HG2 ALY 12 HG2 ALY 12 -4.106 5.923 0.804 122 HB3 ALY 12 HB3 ALY 12 -2.266 4.665 -0.278 123 HB2 ALY 12 HB2 ALY 12 -2.675 5.404 -1.820 124 HCA ALY 12 HA ALY 12 -2.335 7.572 -0.043 125 H ALY 12 H ALY 12 -0.402 6.568 -2.093 126 H GLN 13 H GLN 13 -2.212 5.575 1.766 127 HA GLN 13 HA GLN 13 0.551 5.804 2.735 128 HB2 GLN 13 HB2 GLN 13 -2.087 5.909 4.017 129 HB3 GLN 13 HB3 GLN 13 -0.915 4.918 4.876 130 HG2 GLN 13 HG2 GLN 13 0.201 6.692 5.611 131 HG3 GLN 13 HG3 GLN 13 0.196 7.458 4.023 132 HE21 GLN 13 HE21 GLN 13 -0.835 9.309 3.924 133 HE22 GLN 13 HE22 GLN 13 -2.144 9.807 4.934 134 H CYS 14 H CYS 14 1.334 4.017 1.532 135 HA CYS 14 HA CYS 14 0.280 1.468 1.417 136 HB2 CYS 14 HB2 CYS 14 2.507 2.598 0.435 137 HB3 CYS 14 HB3 CYS 14 3.225 1.678 1.755 138 HN1 NH2 15 H1 CYS 14 3.244 1.419 3.642 Start of MODEL 13 1 H1 ACE 0 H01 ACE 0 3.083 -0.263 -1.624 2 H2 ACE 0 H02 ACE 0 1.256 -0.706 -1.169 3 H TRP 1 H TRP 1 3.309 1.760 -2.572 4 HA TRP 1 HA TRP 1 0.898 3.006 -3.619 5 HB2 TRP 1 HB2 TRP 1 3.742 3.828 -4.200 6 HB3 TRP 1 HB3 TRP 1 2.283 4.811 -4.297 7 HD1 TRP 1 HD1 TRP 1 1.001 4.534 -1.533 8 HE1 TRP 1 HE1 TRP 1 2.179 5.351 0.604 9 HE3 TRP 1 HE3 TRP 1 5.828 4.535 -3.217 10 HZ2 TRP 1 HZ2 TRP 1 4.806 5.922 1.463 11 HZ3 TRP 1 HZ3 TRP 1 7.614 5.231 -1.674 12 HH2 TRP 1 HH2 TRP 1 7.112 5.911 0.617 13 H LYS 2 H LYS 2 1.667 3.954 -6.046 14 HA LYS 2 HA LYS 2 1.709 1.503 -7.649 15 HB2 LYS 2 HB2 LYS 2 -0.158 3.074 -7.999 16 HB3 LYS 2 HB3 LYS 2 0.989 4.333 -8.436 17 HG2 LYS 2 HG2 LYS 2 1.645 3.147 -10.405 18 HG3 LYS 2 HG3 LYS 2 0.694 1.737 -9.930 19 HD2 LYS 2 HD2 LYS 2 -1.270 3.498 -9.915 20 HD3 LYS 2 HD3 LYS 2 -0.200 4.361 -11.023 21 HE2 LYS 2 HE2 LYS 2 -0.068 2.287 -12.397 22 HE3 LYS 2 HE3 LYS 2 -1.278 1.562 -11.339 23 HZ1 LYS 2 HZ1 LYS 2 -1.780 3.029 -13.579 24 HZ2 LYS 2 HZ2 LYS 2 -2.903 2.647 -12.372 25 HZ3 LYS 2 HZ3 LYS 2 -2.081 4.125 -12.326 26 H THR 3 H THR 3 3.070 1.277 -9.462 27 HA THR 3 HA THR 3 5.356 3.128 -9.565 28 HB THR 3 HB THR 3 5.627 0.136 -9.866 29 HG1 THR 3 HG1 THR 3 5.781 0.021 -7.761 30 HG21 THR 3 HG21 THR 3 7.333 2.318 -10.460 31 HG22 THR 3 HG22 THR 3 8.001 1.497 -9.048 32 HG23 THR 3 HG23 THR 3 7.702 0.595 -10.535 33 H ILE 4 H ILE 4 5.697 3.913 -11.533 34 HA ILE 4 HA ILE 4 5.176 2.263 -13.880 35 HB ILE 4 HB ILE 4 3.985 5.025 -13.629 36 HG12 ILE 4 HG12 ILE 4 2.612 2.328 -13.598 37 HG13 ILE 4 HG13 ILE 4 2.801 3.393 -12.209 38 HG21 ILE 4 HG21 ILE 4 3.747 4.969 -15.833 39 HG22 ILE 4 HG22 ILE 4 4.651 3.455 -15.872 40 HG23 ILE 4 HG23 ILE 4 2.894 3.429 -15.729 41 HD11 ILE 4 HD11 ILE 4 0.820 3.420 -14.310 42 HD12 ILE 4 HD12 ILE 4 0.817 4.222 -12.739 43 HD13 ILE 4 HD13 ILE 4 1.602 4.990 -14.119 44 HH31 ALY 5 HH31 ALY 5 3.441 8.512 -15.105 45 HH32 ALY 5 HH32 ALY 5 3.749 8.237 -13.373 46 HH33 ALY 5 HH33 ALY 5 3.780 9.890 -14.032 47 HZ ALY 5 HZ ALY 5 6.834 8.247 -15.765 48 HE3 ALY 5 HE3 ALY 5 5.374 6.235 -15.550 49 HE2 ALY 5 HE2 ALY 5 4.242 7.128 -16.569 50 HD3 ALY 5 HD3 ALY 5 5.358 6.484 -18.401 51 HD2 ALY 5 HD2 ALY 5 6.818 7.285 -17.804 52 HG3 ALY 5 HG3 ALY 5 5.964 4.492 -16.970 53 HG2 ALY 5 HG2 ALY 5 7.080 4.818 -18.303 54 HB3 ALY 5 HB3 ALY 5 8.731 5.672 -16.890 55 HB2 ALY 5 HB2 ALY 5 7.591 6.020 -15.597 56 HCA ALY 5 HA ALY 5 8.588 3.271 -16.443 57 H ALY 5 H ALY 5 6.724 2.473 -15.355 58 H GLY 6 H GLY 6 8.840 2.507 -13.698 59 HA2 GLY 6 HA2 GLY 6 10.344 2.606 -11.963 60 HA3 GLY 6 HA3 GLY 6 11.462 3.212 -13.177 61 HH31 ALY 7 HH31 ALY 7 11.499 9.905 -17.532 62 HH32 ALY 7 HH32 ALY 7 10.990 11.447 -16.801 63 HH33 ALY 7 HH33 ALY 7 12.675 11.223 -17.326 64 HZ ALY 7 HZ ALY 7 10.781 11.282 -14.824 65 HE3 ALY 7 HE3 ALY 7 9.309 9.914 -13.874 66 HE2 ALY 7 HE2 ALY 7 10.022 8.802 -15.046 67 HD3 ALY 7 HD3 ALY 7 10.708 7.480 -13.373 68 HD2 ALY 7 HD2 ALY 7 11.719 8.794 -12.756 69 HG3 ALY 7 HG3 ALY 7 10.410 8.675 -10.915 70 HG2 ALY 7 HG2 ALY 7 9.232 9.572 -11.886 71 HB3 ALY 7 HB3 ALY 7 7.854 7.859 -11.427 72 HB2 ALY 7 HB2 ALY 7 8.721 7.043 -12.721 73 HCA ALY 7 HA ALY 7 10.229 6.637 -10.328 74 H ALY 7 H ALY 7 8.585 4.468 -11.455 75 H THR 8 H THR 8 9.245 7.716 -8.600 76 HA THR 8 HA THR 8 6.926 6.285 -7.484 77 HB THR 8 HB THR 8 8.394 7.908 -5.569 78 HG1 THR 8 HG1 THR 8 10.167 6.208 -5.623 79 HG21 THR 8 HG21 THR 8 6.751 6.141 -5.024 80 HG22 THR 8 HG22 THR 8 7.857 4.939 -5.692 81 HG23 THR 8 HG23 THR 8 8.319 5.866 -4.264 82 H TRP 9 H TRP 9 6.016 7.870 -5.578 83 HA TRP 9 HA TRP 9 5.867 10.618 -6.066 84 HB2 TRP 9 HB2 TRP 9 3.445 10.601 -6.963 85 HB3 TRP 9 HB3 TRP 9 4.754 10.301 -8.105 86 HD1 TRP 9 HD1 TRP 9 2.177 8.275 -6.031 87 HE1 TRP 9 HE1 TRP 9 1.590 6.149 -7.358 88 HE3 TRP 9 HE3 TRP 9 5.399 8.853 -9.958 89 HZ2 TRP 9 HZ2 TRP 9 2.387 4.884 -9.753 90 HZ3 TRP 9 HZ3 TRP 9 5.425 7.141 -11.725 91 HH2 TRP 9 HH2 TRP 9 3.949 5.198 -11.623 92 H ARG 10 H ARG 10 4.262 7.716 -4.924 93 HA ARG 10 HA ARG 10 3.160 7.243 -2.992 94 HB2 ARG 10 HB2 ARG 10 5.141 8.483 -2.022 95 HB3 ARG 10 HB3 ARG 10 4.122 9.916 -1.976 96 HG2 ARG 10 HG2 ARG 10 2.915 7.567 -0.727 97 HG3 ARG 10 HG3 ARG 10 4.404 8.114 0.046 98 HD2 ARG 10 HD2 ARG 10 3.417 10.426 0.066 99 HD3 ARG 10 HD3 ARG 10 1.896 9.703 -0.457 100 HE ARG 10 HE ARG 10 2.509 8.274 1.746 101 HH11 ARG 10 HH11 ARG 10 2.335 11.693 1.112 102 HH12 ARG 10 HH12 ARG 10 1.877 12.102 2.733 103 HH21 ARG 10 HH21 ARG 10 1.907 8.800 3.882 104 HH22 ARG 10 HH22 ARG 10 1.635 10.456 4.307 105 H THR 11 H THR 11 1.032 7.234 -3.342 106 HA THR 11 HA THR 11 -0.382 9.816 -3.451 107 HB THR 11 HB THR 11 -0.783 8.665 -5.488 108 HG1 THR 11 HG1 THR 11 -3.085 8.083 -5.194 109 HG21 THR 11 HG21 THR 11 -1.573 6.356 -5.605 110 HG22 THR 11 HG22 THR 11 -0.017 6.441 -4.781 111 HG23 THR 11 HG23 THR 11 -1.498 6.231 -3.848 112 HH31 ALY 12 HH31 ALY 12 -7.582 2.144 -0.966 113 HH32 ALY 12 HH32 ALY 12 -7.741 0.660 0.004 114 HH33 ALY 12 HH33 ALY 12 -8.500 2.172 0.558 115 HZ ALY 12 HZ ALY 12 -6.474 2.990 2.462 116 HE3 ALY 12 HE3 ALY 12 -5.641 5.239 1.721 117 HE2 ALY 12 HE2 ALY 12 -4.462 3.951 1.984 118 HD3 ALY 12 HD3 ALY 12 -4.137 3.592 -0.306 119 HD2 ALY 12 HD2 ALY 12 -5.690 4.315 -0.744 120 HG3 ALY 12 HG3 ALY 12 -4.687 6.289 -1.084 121 HG2 ALY 12 HG2 ALY 12 -4.157 6.317 0.604 122 HB3 ALY 12 HB3 ALY 12 -2.321 4.633 -0.305 123 HB2 ALY 12 HB2 ALY 12 -2.703 5.382 -1.849 124 HCA ALY 12 HA ALY 12 -2.370 7.535 -0.047 125 H ALY 12 H ALY 12 -0.432 6.541 -2.096 126 H GLN 13 H GLN 13 -2.271 5.518 1.741 127 HA GLN 13 HA GLN 13 0.486 5.723 2.733 128 HB2 GLN 13 HB2 GLN 13 -2.014 5.058 4.293 129 HB3 GLN 13 HB3 GLN 13 -0.420 5.402 4.953 130 HG2 GLN 13 HG2 GLN 13 -0.909 7.645 3.490 131 HG3 GLN 13 HG3 GLN 13 -2.523 7.223 4.059 132 HE21 GLN 13 HE21 GLN 13 0.761 7.163 5.412 133 HE22 GLN 13 HE22 GLN 13 0.356 7.985 6.876 134 H CYS 14 H CYS 14 1.254 3.948 1.491 135 HA CYS 14 HA CYS 14 0.195 1.404 1.357 136 HB2 CYS 14 HB2 CYS 14 2.405 2.528 0.355 137 HB3 CYS 14 HB3 CYS 14 3.144 1.625 1.674 138 HN1 NH2 15 H1 CYS 14 2.003 -0.581 2.933 Start of MODEL 14 1 H1 ACE 0 H01 ACE 0 3.065 -0.236 -1.614 2 H2 ACE 0 H02 ACE 0 1.240 -0.699 -1.179 3 H TRP 1 H TRP 1 3.287 1.777 -2.569 4 HA TRP 1 HA TRP 1 0.876 3.025 -3.615 5 HB2 TRP 1 HB2 TRP 1 3.720 3.847 -4.196 6 HB3 TRP 1 HB3 TRP 1 2.262 4.831 -4.290 7 HD1 TRP 1 HD1 TRP 1 0.979 4.550 -1.527 8 HE1 TRP 1 HE1 TRP 1 2.159 5.365 0.611 9 HE3 TRP 1 HE3 TRP 1 5.806 4.552 -3.211 10 HZ2 TRP 1 HZ2 TRP 1 4.787 5.934 1.470 11 HZ3 TRP 1 HZ3 TRP 1 7.593 5.246 -1.669 12 HH2 TRP 1 HH2 TRP 1 7.092 5.922 0.623 13 H LYS 2 H LYS 2 1.647 3.975 -6.042 14 HA LYS 2 HA LYS 2 1.682 1.526 -7.647 15 HB2 LYS 2 HB2 LYS 2 -0.168 3.131 -7.987 16 HB3 LYS 2 HB3 LYS 2 1.000 4.359 -8.455 17 HG2 LYS 2 HG2 LYS 2 1.094 3.602 -10.538 18 HG3 LYS 2 HG3 LYS 2 1.324 1.937 -10.001 19 HD2 LYS 2 HD2 LYS 2 -1.226 2.065 -9.452 20 HD3 LYS 2 HD3 LYS 2 -1.209 3.409 -10.595 21 HE2 LYS 2 HE2 LYS 2 0.255 1.357 -11.813 22 HE3 LYS 2 HE3 LYS 2 -1.153 0.574 -11.097 23 HZ1 LYS 2 HZ1 LYS 2 -1.943 1.205 -13.142 24 HZ2 LYS 2 HZ2 LYS 2 -2.412 2.533 -12.203 25 HZ3 LYS 2 HZ3 LYS 2 -1.041 2.636 -13.190 26 H THR 3 H THR 3 3.064 1.270 -9.429 27 HA THR 3 HA THR 3 5.356 3.114 -9.537 28 HB THR 3 HB THR 3 5.612 0.118 -9.821 29 HG1 THR 3 HG1 THR 3 6.122 1.780 -7.559 30 HG21 THR 3 HG21 THR 3 7.677 2.283 -9.402 31 HG22 THR 3 HG22 THR 3 7.997 0.557 -9.577 32 HG23 THR 3 HG23 THR 3 7.340 1.475 -10.932 33 H ILE 4 H ILE 4 5.666 3.911 -11.503 34 HA ILE 4 HA ILE 4 5.169 2.247 -13.847 35 HB ILE 4 HB ILE 4 3.992 5.018 -13.643 36 HG12 ILE 4 HG12 ILE 4 2.573 2.348 -13.521 37 HG13 ILE 4 HG13 ILE 4 2.827 3.422 -12.149 38 HG21 ILE 4 HG21 ILE 4 2.930 3.244 -15.671 39 HG22 ILE 4 HG22 ILE 4 3.580 4.875 -15.827 40 HG23 ILE 4 HG23 ILE 4 4.667 3.487 -15.853 41 HD11 ILE 4 HD11 ILE 4 1.613 5.017 -14.061 42 HD12 ILE 4 HD12 ILE 4 0.779 3.468 -14.174 43 HD13 ILE 4 HD13 ILE 4 0.861 4.315 -12.629 44 HH31 ALY 5 HH31 ALY 5 3.950 10.363 -13.956 45 HH32 ALY 5 HH32 ALY 5 4.991 10.981 -15.261 46 HH33 ALY 5 HH33 ALY 5 3.399 10.283 -15.646 47 HZ ALY 5 HZ ALY 5 5.736 8.796 -16.821 48 HE3 ALY 5 HE3 ALY 5 5.286 6.385 -15.668 49 HE2 ALY 5 HE2 ALY 5 4.097 6.485 -16.969 50 HD3 ALY 5 HD3 ALY 5 5.699 6.518 -18.633 51 HD2 ALY 5 HD2 ALY 5 6.913 7.287 -17.601 52 HG3 ALY 5 HG3 ALY 5 5.980 4.489 -16.981 53 HG2 ALY 5 HG2 ALY 5 7.159 4.750 -18.275 54 HB3 ALY 5 HB3 ALY 5 8.749 5.673 -16.809 55 HB2 ALY 5 HB2 ALY 5 7.555 5.986 -15.557 56 HCA ALY 5 HA ALY 5 8.592 3.249 -16.399 57 H ALY 5 H ALY 5 6.729 2.449 -15.309 58 H GLY 6 H GLY 6 8.834 2.487 -13.651 59 HA2 GLY 6 HA2 GLY 6 10.332 2.585 -11.911 60 HA3 GLY 6 HA3 GLY 6 11.455 3.184 -13.123 61 HH31 ALY 7 HH31 ALY 7 13.483 10.443 -17.466 62 HH32 ALY 7 HH32 ALY 7 11.952 9.608 -17.824 63 HH33 ALY 7 HH33 ALY 7 11.935 11.292 -17.249 64 HZ ALY 7 HZ ALY 7 11.447 8.234 -15.388 65 HE3 ALY 7 HE3 ALY 7 10.980 10.463 -13.686 66 HE2 ALY 7 HE2 ALY 7 9.486 9.713 -14.255 67 HD3 ALY 7 HD3 ALY 7 10.498 7.473 -13.533 68 HD2 ALY 7 HD2 ALY 7 11.753 8.413 -12.713 69 HG3 ALY 7 HG3 ALY 7 10.392 8.693 -10.956 70 HG2 ALY 7 HG2 ALY 7 9.243 9.557 -11.989 71 HB3 ALY 7 HB3 ALY 7 7.847 7.881 -11.420 72 HB2 ALY 7 HB2 ALY 7 8.671 7.031 -12.720 73 HCA ALY 7 HA ALY 7 10.214 6.648 -10.336 74 H ALY 7 H ALY 7 8.556 4.488 -11.479 75 H THR 8 H THR 8 9.250 7.720 -8.602 76 HA THR 8 HA THR 8 6.930 6.301 -7.473 77 HB THR 8 HB THR 8 8.389 7.925 -5.560 78 HG1 THR 8 HG1 THR 8 10.328 6.833 -5.628 79 HG21 THR 8 HG21 THR 8 8.284 4.955 -5.437 80 HG22 THR 8 HG22 THR 8 7.993 6.150 -4.173 81 HG23 THR 8 HG23 THR 8 6.758 5.837 -5.391 82 H TRP 9 H TRP 9 6.012 7.885 -5.581 83 HA TRP 9 HA TRP 9 5.869 10.634 -6.066 84 HB2 TRP 9 HB2 TRP 9 3.452 10.622 -6.973 85 HB3 TRP 9 HB3 TRP 9 4.764 10.320 -8.109 86 HD1 TRP 9 HD1 TRP 9 2.174 8.297 -6.051 87 HE1 TRP 9 HE1 TRP 9 1.590 6.174 -7.382 88 HE3 TRP 9 HE3 TRP 9 5.419 8.872 -9.959 89 HZ2 TRP 9 HZ2 TRP 9 2.399 4.909 -9.773 90 HZ3 TRP 9 HZ3 TRP 9 5.452 7.160 -11.727 91 HH2 TRP 9 HH2 TRP 9 3.972 5.220 -11.633 92 H ARG 10 H ARG 10 4.255 7.734 -4.934 93 HA ARG 10 HA ARG 10 3.144 7.259 -3.006 94 HB2 ARG 10 HB2 ARG 10 5.123 8.498 -2.029 95 HB3 ARG 10 HB3 ARG 10 4.104 9.930 -1.983 96 HG2 ARG 10 HG2 ARG 10 2.893 7.577 -0.745 97 HG3 ARG 10 HG3 ARG 10 4.379 8.123 0.036 98 HD2 ARG 10 HD2 ARG 10 2.016 9.887 -0.595 99 HD3 ARG 10 HD3 ARG 10 2.333 9.156 0.978 100 HE ARG 10 HE ARG 10 3.578 11.479 -0.117 101 HH11 ARG 10 HH11 ARG 10 4.081 8.750 1.986 102 HH12 ARG 10 HH12 ARG 10 5.303 9.535 2.929 103 HH21 ARG 10 HH21 ARG 10 5.187 12.524 1.118 104 HH22 ARG 10 HH22 ARG 10 5.931 11.682 2.435 105 H THR 11 H THR 11 1.017 7.253 -3.358 106 HA THR 11 HA THR 11 -0.393 9.837 -3.479 107 HB THR 11 HB THR 11 -0.792 8.682 -5.512 108 HG1 THR 11 HG1 THR 11 -2.700 9.530 -4.626 109 HG21 THR 11 HG21 THR 11 -1.585 6.372 -5.624 110 HG22 THR 11 HG22 THR 11 -0.028 6.460 -4.799 111 HG23 THR 11 HG23 THR 11 -1.511 6.252 -3.866 112 HH31 ALY 12 HH31 ALY 12 -9.128 6.671 -3.037 113 HH32 ALY 12 HH32 ALY 12 -9.241 8.394 -3.473 114 HH33 ALY 12 HH33 ALY 12 -7.700 7.524 -3.670 115 HZ ALY 12 HZ ALY 12 -7.452 6.303 -1.315 116 HE3 ALY 12 HE3 ALY 12 -5.727 8.102 -2.315 117 HE2 ALY 12 HE2 ALY 12 -5.310 8.051 -0.600 118 HD3 ALY 12 HD3 ALY 12 -5.730 5.398 -1.846 119 HD2 ALY 12 HD2 ALY 12 -4.361 6.308 -2.500 120 HG3 ALY 12 HG3 ALY 12 -4.244 6.626 0.315 121 HG2 ALY 12 HG2 ALY 12 -4.598 4.915 0.032 122 HB3 ALY 12 HB3 ALY 12 -2.391 4.683 -0.275 123 HB2 ALY 12 HB2 ALY 12 -2.686 5.380 -1.861 124 HCA ALY 12 HA ALY 12 -2.388 7.572 -0.068 125 H ALY 12 H ALY 12 -0.453 6.567 -2.114 126 H GLN 13 H GLN 13 -2.302 5.554 1.721 127 HA GLN 13 HA GLN 13 0.456 5.743 2.713 128 HB2 GLN 13 HB2 GLN 13 -2.077 5.138 4.248 129 HB3 GLN 13 HB3 GLN 13 -0.477 5.381 4.937 130 HG2 GLN 13 HG2 GLN 13 -1.409 7.589 3.262 131 HG3 GLN 13 HG3 GLN 13 -2.391 7.295 4.697 132 HE21 GLN 13 HE21 GLN 13 -0.049 9.174 3.636 133 HE22 GLN 13 HE22 GLN 13 0.876 9.409 5.076 134 H CYS 14 H CYS 14 1.230 3.963 1.496 135 HA CYS 14 HA CYS 14 0.154 1.426 1.343 136 HB2 CYS 14 HB2 CYS 14 2.394 2.540 0.384 137 HB3 CYS 14 HB3 CYS 14 3.099 1.614 1.706 138 HN1 NH2 15 H1 CYS 14 -0.783 0.735 3.442 Start of MODEL 15 1 H1 ACE 0 H01 ACE 0 3.170 -0.129 -1.538 2 H2 ACE 0 H02 ACE 0 1.360 -0.672 -1.142 3 H TRP 1 H TRP 1 3.355 1.810 -2.566 4 HA TRP 1 HA TRP 1 0.919 3.037 -3.587 5 HB2 TRP 1 HB2 TRP 1 3.748 3.891 -4.194 6 HB3 TRP 1 HB3 TRP 1 2.277 4.856 -4.282 7 HD1 TRP 1 HD1 TRP 1 1.022 4.574 -1.505 8 HE1 TRP 1 HE1 TRP 1 2.209 5.416 0.618 9 HE3 TRP 1 HE3 TRP 1 5.834 4.628 -3.233 10 HZ2 TRP 1 HZ2 TRP 1 4.837 6.022 1.450 11 HZ3 TRP 1 HZ3 TRP 1 7.625 5.352 -1.709 12 HH2 TRP 1 HH2 TRP 1 7.135 6.035 0.583 13 H LYS 2 H LYS 2 1.662 3.980 -6.025 14 HA LYS 2 HA LYS 2 1.702 1.524 -7.615 15 HB2 LYS 2 HB2 LYS 2 -0.152 3.109 -7.971 16 HB3 LYS 2 HB3 LYS 2 1.006 4.354 -8.421 17 HG2 LYS 2 HG2 LYS 2 1.665 3.106 -10.370 18 HG3 LYS 2 HG3 LYS 2 0.639 1.752 -9.891 19 HD2 LYS 2 HD2 LYS 2 -1.252 3.562 -9.928 20 HD3 LYS 2 HD3 LYS 2 -0.126 4.430 -10.975 21 HE2 LYS 2 HE2 LYS 2 -0.950 3.229 -12.661 22 HE3 LYS 2 HE3 LYS 2 -0.113 1.842 -11.965 23 HZ1 LYS 2 HZ1 LYS 2 -2.943 2.506 -11.938 24 HZ2 LYS 2 HZ2 LYS 2 -2.185 0.993 -11.970 25 HZ3 LYS 2 HZ3 LYS 2 -2.328 1.837 -10.511 26 H THR 3 H THR 3 3.074 1.261 -9.406 27 HA THR 3 HA THR 3 5.367 3.103 -9.532 28 HB THR 3 HB THR 3 5.590 0.098 -9.749 29 HG1 THR 3 HG1 THR 3 5.443 0.253 -7.629 30 HG21 THR 3 HG21 THR 3 7.547 2.369 -9.853 31 HG22 THR 3 HG22 THR 3 8.057 0.763 -9.334 32 HG23 THR 3 HG23 THR 3 7.379 0.994 -10.945 33 H ILE 4 H ILE 4 5.684 3.880 -11.505 34 HA ILE 4 HA ILE 4 5.179 2.202 -13.836 35 HB ILE 4 HB ILE 4 3.981 4.964 -13.627 36 HG12 ILE 4 HG12 ILE 4 2.610 2.268 -13.527 37 HG13 ILE 4 HG13 ILE 4 2.807 3.364 -12.164 38 HG21 ILE 4 HG21 ILE 4 3.704 4.858 -15.827 39 HG22 ILE 4 HG22 ILE 4 4.646 3.367 -15.841 40 HG23 ILE 4 HG23 ILE 4 2.890 3.299 -15.684 41 HD11 ILE 4 HD11 ILE 4 0.885 4.307 -12.696 42 HD12 ILE 4 HD12 ILE 4 1.588 4.841 -14.223 43 HD13 ILE 4 HD13 ILE 4 0.752 3.291 -14.132 44 HH31 ALY 5 HH31 ALY 5 5.842 9.501 -12.876 45 HH32 ALY 5 HH32 ALY 5 5.498 10.558 -14.266 46 HH33 ALY 5 HH33 ALY 5 4.375 9.241 -13.848 47 HZ ALY 5 HZ ALY 5 6.190 8.675 -16.671 48 HE3 ALY 5 HE3 ALY 5 5.563 6.230 -15.465 49 HE2 ALY 5 HE2 ALY 5 4.225 6.745 -16.495 50 HD3 ALY 5 HD3 ALY 5 5.378 6.322 -18.386 51 HD2 ALY 5 HD2 ALY 5 6.821 7.150 -17.788 52 HG3 ALY 5 HG3 ALY 5 6.003 4.354 -16.929 53 HG2 ALY 5 HG2 ALY 5 7.121 4.682 -18.261 54 HB3 ALY 5 HB3 ALY 5 8.757 5.563 -16.853 55 HB2 ALY 5 HB2 ALY 5 7.609 5.929 -15.574 56 HCA ALY 5 HA ALY 5 8.631 3.171 -16.357 57 H ALY 5 H ALY 5 6.779 2.368 -15.251 58 H GLY 6 H GLY 6 8.865 2.463 -13.595 59 HA2 GLY 6 HA2 GLY 6 10.351 2.608 -11.850 60 HA3 GLY 6 HA3 GLY 6 11.474 3.200 -13.064 61 HH31 ALY 7 HH31 ALY 7 10.588 11.407 -16.945 62 HH32 ALY 7 HH32 ALY 7 9.150 11.717 -15.941 63 HH33 ALY 7 HH33 ALY 7 10.353 13.004 -16.197 64 HZ ALY 7 HZ ALY 7 12.071 10.100 -14.163 65 HE3 ALY 7 HE3 ALY 7 9.324 9.639 -14.184 66 HE2 ALY 7 HE2 ALY 7 10.117 8.420 -15.186 67 HD3 ALY 7 HD3 ALY 7 10.726 7.311 -13.337 68 HD2 ALY 7 HD2 ALY 7 11.701 8.700 -12.838 69 HG3 ALY 7 HG3 ALY 7 10.316 8.759 -11.048 70 HG2 ALY 7 HG2 ALY 7 9.193 9.560 -12.157 71 HB3 ALY 7 HB3 ALY 7 7.799 7.907 -11.486 72 HB2 ALY 7 HB2 ALY 7 8.609 7.025 -12.772 73 HCA ALY 7 HA ALY 7 10.163 6.711 -10.377 74 H ALY 7 H ALY 7 8.535 4.518 -11.508 75 H THR 8 H THR 8 9.260 7.695 -8.602 76 HA THR 8 HA THR 8 6.916 6.309 -7.489 77 HB THR 8 HB THR 8 8.439 7.980 -5.632 78 HG1 THR 8 HG1 THR 8 9.701 5.744 -6.877 79 HG21 THR 8 HG21 THR 8 7.076 5.378 -5.727 80 HG22 THR 8 HG22 THR 8 8.492 5.432 -4.677 81 HG23 THR 8 HG23 THR 8 7.163 6.566 -4.426 82 H TRP 9 H TRP 9 5.993 7.907 -5.606 83 HA TRP 9 HA TRP 9 5.831 10.649 -6.118 84 HB2 TRP 9 HB2 TRP 9 3.411 10.612 -7.017 85 HB3 TRP 9 HB3 TRP 9 4.723 10.310 -8.155 86 HD1 TRP 9 HD1 TRP 9 2.155 8.284 -6.071 87 HE1 TRP 9 HE1 TRP 9 1.583 6.144 -7.382 88 HE3 TRP 9 HE3 TRP 9 5.383 8.851 -9.994 89 HZ2 TRP 9 HZ2 TRP 9 2.395 4.866 -9.764 90 HZ3 TRP 9 HZ3 TRP 9 5.424 7.124 -11.747 91 HH2 TRP 9 HH2 TRP 9 3.960 5.173 -11.632 92 H ARG 10 H ARG 10 4.238 7.750 -4.953 93 HA ARG 10 HA ARG 10 3.135 7.287 -3.018 94 HB2 ARG 10 HB2 ARG 10 5.110 8.546 -2.057 95 HB3 ARG 10 HB3 ARG 10 4.084 9.974 -2.024 96 HG2 ARG 10 HG2 ARG 10 2.892 7.625 -0.757 97 HG3 ARG 10 HG3 ARG 10 4.373 8.195 0.014 98 HD2 ARG 10 HD2 ARG 10 3.193 10.541 -0.262 99 HD3 ARG 10 HD3 ARG 10 1.738 9.545 -0.290 100 HE ARG 10 HE ARG 10 3.313 8.768 1.892 101 HH11 ARG 10 HH11 ARG 10 1.417 11.477 0.805 102 HH12 ARG 10 HH12 ARG 10 1.011 12.003 2.405 103 HH21 ARG 10 HH21 ARG 10 2.787 9.449 4.004 104 HH22 ARG 10 HH22 ARG 10 1.792 10.849 4.224 105 H THR 11 H THR 11 1.007 7.266 -3.367 106 HA THR 11 HA THR 11 -0.417 9.840 -3.525 107 HB THR 11 HB THR 11 -0.829 8.632 -5.525 108 HG1 THR 11 HG1 THR 11 -2.760 9.440 -4.861 109 HG21 THR 11 HG21 THR 11 -0.048 6.433 -4.777 110 HG22 THR 11 HG22 THR 11 -1.507 6.242 -3.805 111 HG23 THR 11 HG23 THR 11 -1.623 6.316 -5.564 112 HH31 ALY 12 HH31 ALY 12 -9.006 3.661 -2.816 113 HH32 ALY 12 HH32 ALY 12 -8.715 3.621 -1.061 114 HH33 ALY 12 HH33 ALY 12 -9.751 4.886 -1.763 115 HZ ALY 12 HZ ALY 12 -7.964 6.166 -0.534 116 HE3 ALY 12 HE3 ALY 12 -6.472 5.431 1.013 117 HE2 ALY 12 HE2 ALY 12 -6.965 3.961 0.166 118 HD3 ALY 12 HD3 ALY 12 -4.581 3.889 0.321 119 HD2 ALY 12 HD2 ALY 12 -4.968 4.276 -1.361 120 HG3 ALY 12 HG3 ALY 12 -4.619 6.696 -0.850 121 HG2 ALY 12 HG2 ALY 12 -4.149 6.257 0.799 122 HB3 ALY 12 HB3 ALY 12 -2.374 4.762 -0.240 123 HB2 ALY 12 HB2 ALY 12 -2.760 5.504 -1.786 124 HCA ALY 12 HA ALY 12 -2.336 7.667 -0.015 125 H ALY 12 H ALY 12 -0.435 6.612 -2.067 126 H GLN 13 H GLN 13 -2.260 5.667 1.794 127 HA GLN 13 HA GLN 13 0.514 5.820 2.741 128 HB2 GLN 13 HB2 GLN 13 -2.132 5.597 4.139 129 HB3 GLN 13 HB3 GLN 13 -0.649 5.128 4.960 130 HG2 GLN 13 HG2 GLN 13 0.257 7.373 4.591 131 HG3 GLN 13 HG3 GLN 13 -1.246 7.839 3.798 132 HE21 GLN 13 HE21 GLN 13 0.167 8.731 6.300 133 HE22 GLN 13 HE22 GLN 13 -1.049 8.665 7.526 134 H CYS 14 H CYS 14 1.293 4.038 1.551 135 HA CYS 14 HA CYS 14 0.197 1.511 1.377 136 HB2 CYS 14 HB2 CYS 14 2.447 2.603 0.434 137 HB3 CYS 14 HB3 CYS 14 3.141 1.693 1.773 138 HN1 NH2 15 H1 CYS 14 -0.254 1.882 4.562 Start of MODEL 16 1 H1 ACE 0 H01 ACE 0 3.099 -0.208 -1.590 2 H2 ACE 0 H02 ACE 0 1.304 -0.755 -1.220 3 H TRP 1 H TRP 1 3.309 1.732 -2.617 4 HA TRP 1 HA TRP 1 0.886 3.002 -3.624 5 HB2 TRP 1 HB2 TRP 1 3.724 3.842 -4.207 6 HB3 TRP 1 HB3 TRP 1 2.262 4.820 -4.285 7 HD1 TRP 1 HD1 TRP 1 0.995 4.506 -1.516 8 HE1 TRP 1 HE1 TRP 1 2.183 5.305 0.623 9 HE3 TRP 1 HE3 TRP 1 5.813 4.546 -3.228 10 HZ2 TRP 1 HZ2 TRP 1 4.814 5.878 1.473 11 HZ3 TRP 1 HZ3 TRP 1 7.606 5.232 -1.690 12 HH2 TRP 1 HH2 TRP 1 7.115 5.884 0.612 13 H LYS 2 H LYS 2 1.650 3.972 -6.044 14 HA LYS 2 HA LYS 2 1.685 1.536 -7.668 15 HB2 LYS 2 HB2 LYS 2 -0.160 3.166 -7.983 16 HB3 LYS 2 HB3 LYS 2 1.021 4.374 -8.474 17 HG2 LYS 2 HG2 LYS 2 1.519 3.248 -10.463 18 HG3 LYS 2 HG3 LYS 2 0.767 1.751 -9.905 19 HD2 LYS 2 HD2 LYS 2 -1.377 3.293 -9.778 20 HD3 LYS 2 HD3 LYS 2 -0.486 4.228 -10.981 21 HE2 LYS 2 HE2 LYS 2 -1.202 2.813 -12.535 22 HE3 LYS 2 HE3 LYS 2 -0.253 1.545 -11.761 23 HZ1 LYS 2 HZ1 LYS 2 -2.082 0.764 -10.611 24 HZ2 LYS 2 HZ2 LYS 2 -2.950 2.208 -10.770 25 HZ3 LYS 2 HZ3 LYS 2 -2.759 1.185 -12.104 26 H THR 3 H THR 3 3.068 1.289 -9.450 27 HA THR 3 HA THR 3 5.359 3.134 -9.553 28 HB THR 3 HB THR 3 5.573 0.126 -9.759 29 HG1 THR 3 HG1 THR 3 6.133 1.922 -7.624 30 HG21 THR 3 HG21 THR 3 8.061 0.871 -9.331 31 HG22 THR 3 HG22 THR 3 7.381 0.895 -10.958 32 HG23 THR 3 HG23 THR 3 7.498 2.390 -10.030 33 H ILE 4 H ILE 4 5.694 3.918 -11.521 34 HA ILE 4 HA ILE 4 5.189 2.252 -13.862 35 HB ILE 4 HB ILE 4 4.017 5.026 -13.654 36 HG12 ILE 4 HG12 ILE 4 2.613 2.346 -13.549 37 HG13 ILE 4 HG13 ILE 4 2.827 3.440 -12.186 38 HG21 ILE 4 HG21 ILE 4 2.936 3.324 -15.707 39 HG22 ILE 4 HG22 ILE 4 3.689 4.913 -15.848 40 HG23 ILE 4 HG23 ILE 4 4.687 3.459 -15.867 41 HD11 ILE 4 HD11 ILE 4 1.541 5.146 -13.528 42 HD12 ILE 4 HD12 ILE 4 1.141 3.833 -14.634 43 HD13 ILE 4 HD13 ILE 4 0.628 3.753 -12.949 44 HH31 ALY 5 HH31 ALY 5 3.471 10.210 -15.936 45 HH32 ALY 5 HH32 ALY 5 3.674 10.521 -14.195 46 HH33 ALY 5 HH33 ALY 5 4.965 10.968 -15.338 47 HZ ALY 5 HZ ALY 5 6.421 8.479 -15.845 48 HE3 ALY 5 HE3 ALY 5 5.394 6.288 -15.606 49 HE2 ALY 5 HE2 ALY 5 4.153 6.831 -16.740 50 HD3 ALY 5 HD3 ALY 5 5.480 6.485 -18.530 51 HD2 ALY 5 HD2 ALY 5 6.861 7.281 -17.763 52 HG3 ALY 5 HG3 ALY 5 5.974 4.482 -17.006 53 HG2 ALY 5 HG2 ALY 5 7.116 4.786 -18.324 54 HB3 ALY 5 HB3 ALY 5 8.742 5.667 -16.889 55 HB2 ALY 5 HB2 ALY 5 7.579 6.008 -15.616 56 HCA ALY 5 HA ALY 5 8.589 3.258 -16.446 57 H ALY 5 H ALY 5 6.703 2.483 -15.378 58 H GLY 6 H GLY 6 8.835 2.506 -13.697 59 HA2 GLY 6 HA2 GLY 6 10.337 2.610 -11.961 60 HA3 GLY 6 HA3 GLY 6 11.456 3.211 -13.174 61 HH31 ALY 7 HH31 ALY 7 13.599 9.686 -16.000 62 HH32 ALY 7 HH32 ALY 7 12.724 8.629 -17.132 63 HH33 ALY 7 HH33 ALY 7 12.940 10.355 -17.510 64 HZ ALY 7 HZ ALY 7 11.445 8.149 -15.439 65 HE3 ALY 7 HE3 ALY 7 9.610 10.013 -14.208 66 HE2 ALY 7 HE2 ALY 7 9.007 8.376 -14.485 67 HD3 ALY 7 HD3 ALY 7 10.925 7.446 -13.240 68 HD2 ALY 7 HD2 ALY 7 11.557 9.078 -12.982 69 HG3 ALY 7 HG3 ALY 7 10.431 8.657 -10.981 70 HG2 ALY 7 HG2 ALY 7 9.230 9.566 -11.910 71 HB3 ALY 7 HB3 ALY 7 7.845 7.871 -11.415 72 HB2 ALY 7 HB2 ALY 7 8.672 7.033 -12.720 73 HCA ALY 7 HA ALY 7 10.222 6.647 -10.343 74 H ALY 7 H ALY 7 8.578 4.470 -11.455 75 H THR 8 H THR 8 9.246 7.729 -8.612 76 HA THR 8 HA THR 8 6.938 6.294 -7.476 77 HB THR 8 HB THR 8 8.417 7.919 -5.571 78 HG1 THR 8 HG1 THR 8 10.244 6.387 -5.599 79 HG21 THR 8 HG21 THR 8 6.768 5.810 -5.426 80 HG22 THR 8 HG22 THR 8 8.315 4.965 -5.380 81 HG23 THR 8 HG23 THR 8 7.943 6.193 -4.169 82 H TRP 9 H TRP 9 6.013 7.864 -5.583 83 HA TRP 9 HA TRP 9 5.866 10.615 -6.051 84 HB2 TRP 9 HB2 TRP 9 3.450 10.603 -6.960 85 HB3 TRP 9 HB3 TRP 9 4.765 10.313 -8.097 86 HD1 TRP 9 HD1 TRP 9 2.176 8.270 -6.058 87 HE1 TRP 9 HE1 TRP 9 1.601 6.153 -7.403 88 HE3 TRP 9 HE3 TRP 9 5.429 8.877 -9.954 89 HZ2 TRP 9 HZ2 TRP 9 2.419 4.905 -9.800 90 HZ3 TRP 9 HZ3 TRP 9 5.471 7.177 -11.732 91 HH2 TRP 9 HH2 TRP 9 3.995 5.232 -11.655 92 H ARG 10 H ARG 10 4.255 7.705 -4.940 93 HA ARG 10 HA ARG 10 3.140 7.217 -3.018 94 HB2 ARG 10 HB2 ARG 10 5.117 8.443 -2.026 95 HB3 ARG 10 HB3 ARG 10 4.105 9.880 -1.976 96 HG2 ARG 10 HG2 ARG 10 2.885 7.522 -0.751 97 HG3 ARG 10 HG3 ARG 10 4.367 8.069 0.038 98 HD2 ARG 10 HD2 ARG 10 2.405 10.158 -0.685 99 HD3 ARG 10 HD3 ARG 10 1.936 9.055 0.607 100 HE ARG 10 HE ARG 10 3.851 11.148 0.768 101 HH11 ARG 10 HH11 ARG 10 3.135 7.946 1.930 102 HH12 ARG 10 HH12 ARG 10 4.022 8.141 3.406 103 HH21 ARG 10 HH21 ARG 10 5.022 11.418 2.707 104 HH22 ARG 10 HH22 ARG 10 5.094 10.117 3.847 105 H THR 11 H THR 11 1.013 7.217 -3.381 106 HA THR 11 HA THR 11 -0.393 9.801 -3.501 107 HB THR 11 HB THR 11 -0.808 8.624 -5.519 108 HG1 THR 11 HG1 THR 11 -3.139 7.888 -5.021 109 HG21 THR 11 HG21 THR 11 -0.044 6.410 -4.805 110 HG22 THR 11 HG22 THR 11 -1.502 6.215 -3.834 111 HG23 THR 11 HG23 THR 11 -1.620 6.313 -5.590 112 HH31 ALY 12 HH31 ALY 12 -8.325 7.034 0.883 113 HH32 ALY 12 HH32 ALY 12 -8.888 7.492 -0.742 114 HH33 ALY 12 HH33 ALY 12 -9.962 6.585 0.350 115 HZ ALY 12 HZ ALY 12 -7.562 4.222 0.672 116 HE3 ALY 12 HE3 ALY 12 -6.390 3.426 -1.130 117 HE2 ALY 12 HE2 ALY 12 -6.027 5.067 -1.670 118 HD3 ALY 12 HD3 ALY 12 -5.005 4.119 1.000 119 HD2 ALY 12 HD2 ALY 12 -4.173 3.620 -0.479 120 HG3 ALY 12 HG3 ALY 12 -4.709 6.434 -0.655 121 HG2 ALY 12 HG2 ALY 12 -3.982 6.110 0.926 122 HB3 ALY 12 HB3 ALY 12 -2.288 4.661 -0.426 123 HB2 ALY 12 HB2 ALY 12 -2.878 5.548 -1.824 124 HCA ALY 12 HA ALY 12 -2.345 7.590 -0.033 125 H ALY 12 H ALY 12 -0.433 6.555 -2.085 126 H GLN 13 H GLN 13 -2.271 5.576 1.760 127 HA GLN 13 HA GLN 13 0.503 5.716 2.715 128 HB2 GLN 13 HB2 GLN 13 -2.087 6.016 3.989 129 HB3 GLN 13 HB3 GLN 13 -1.100 4.817 4.814 130 HG2 GLN 13 HG2 GLN 13 0.701 6.448 5.039 131 HG3 GLN 13 HG3 GLN 13 -0.284 7.650 4.207 132 HE21 GLN 13 HE21 GLN 13 0.238 8.793 6.269 133 HE22 GLN 13 HE22 GLN 13 -0.856 8.583 7.589 134 H CYS 14 H CYS 14 1.279 3.921 1.560 135 HA CYS 14 HA CYS 14 0.156 1.408 1.372 136 HB2 CYS 14 HB2 CYS 14 2.484 2.508 0.535 137 HB3 CYS 14 HB3 CYS 14 3.080 1.460 1.819 138 HN1 NH2 15 H1 CYS 14 -0.572 0.094 3.447 Start of MODEL 17 1 H1 ACE 0 H01 ACE 0 3.153 -0.196 -1.538 2 H2 ACE 0 H02 ACE 0 1.329 -0.645 -1.070 3 H TRP 1 H TRP 1 3.359 1.819 -2.509 4 HA TRP 1 HA TRP 1 0.936 3.029 -3.568 5 HB2 TRP 1 HB2 TRP 1 3.769 3.868 -4.170 6 HB3 TRP 1 HB3 TRP 1 2.303 4.838 -4.272 7 HD1 TRP 1 HD1 TRP 1 1.034 4.585 -1.500 8 HE1 TRP 1 HE1 TRP 1 2.216 5.438 0.622 9 HE3 TRP 1 HE3 TRP 1 5.855 4.600 -3.204 10 HZ2 TRP 1 HZ2 TRP 1 4.843 6.039 1.462 11 HZ3 TRP 1 HZ3 TRP 1 7.642 5.329 -1.678 12 HH2 TRP 1 HH2 TRP 1 7.145 6.033 0.605 13 H LYS 2 H LYS 2 1.691 3.949 -6.010 14 HA LYS 2 HA LYS 2 1.754 1.477 -7.579 15 HB2 LYS 2 HB2 LYS 2 -0.130 3.049 -7.923 16 HB3 LYS 2 HB3 LYS 2 1.016 4.282 -8.433 17 HG2 LYS 2 HG2 LYS 2 1.262 3.395 -10.481 18 HG3 LYS 2 HG3 LYS 2 1.198 1.735 -9.884 19 HD2 LYS 2 HD2 LYS 2 -1.289 2.123 -9.523 20 HD3 LYS 2 HD3 LYS 2 -1.092 3.591 -10.484 21 HE2 LYS 2 HE2 LYS 2 -1.688 2.103 -12.120 22 HE3 LYS 2 HE3 LYS 2 0.067 1.943 -12.170 23 HZ1 LYS 2 HZ1 LYS 2 -1.926 0.014 -11.416 24 HZ2 LYS 2 HZ2 LYS 2 -0.331 -0.223 -11.927 25 HZ3 LYS 2 HZ3 LYS 2 -0.656 0.125 -10.303 26 H THR 3 H THR 3 3.117 1.235 -9.384 27 HA THR 3 HA THR 3 5.379 3.115 -9.523 28 HB THR 3 HB THR 3 5.655 0.114 -9.749 29 HG1 THR 3 HG1 THR 3 5.733 0.130 -7.642 30 HG21 THR 3 HG21 THR 3 8.116 0.966 -9.229 31 HG22 THR 3 HG22 THR 3 7.484 0.902 -10.874 32 HG23 THR 3 HG23 THR 3 7.504 2.431 -9.996 33 H ILE 4 H ILE 4 5.706 3.880 -11.502 34 HA ILE 4 HA ILE 4 5.190 2.196 -13.826 35 HB ILE 4 HB ILE 4 3.982 4.955 -13.609 36 HG12 ILE 4 HG12 ILE 4 2.637 2.246 -13.509 37 HG13 ILE 4 HG13 ILE 4 2.807 3.358 -12.155 38 HG21 ILE 4 HG21 ILE 4 2.890 3.315 -15.676 39 HG22 ILE 4 HG22 ILE 4 3.727 4.861 -15.810 40 HG23 ILE 4 HG23 ILE 4 4.646 3.356 -15.831 41 HD11 ILE 4 HD11 ILE 4 0.880 4.274 -12.713 42 HD12 ILE 4 HD12 ILE 4 1.585 4.794 -14.244 43 HD13 ILE 4 HD13 ILE 4 0.768 3.235 -14.134 44 HH31 ALY 5 HH31 ALY 5 6.889 10.132 -14.653 45 HH32 ALY 5 HH32 ALY 5 5.523 10.557 -13.592 46 HH33 ALY 5 HH33 ALY 5 6.644 9.257 -13.123 47 HZ ALY 5 HZ ALY 5 6.778 8.020 -15.563 48 HE3 ALY 5 HE3 ALY 5 5.291 6.129 -15.588 49 HE2 ALY 5 HE2 ALY 5 4.199 7.065 -16.612 50 HD3 ALY 5 HD3 ALY 5 5.301 6.347 -18.424 51 HD2 ALY 5 HD2 ALY 5 6.755 7.174 -17.850 52 HG3 ALY 5 HG3 ALY 5 5.935 4.387 -16.960 53 HG2 ALY 5 HG2 ALY 5 7.042 4.701 -18.306 54 HB3 ALY 5 HB3 ALY 5 8.690 5.598 -16.917 55 HB2 ALY 5 HB2 ALY 5 7.554 5.958 -15.626 56 HCA ALY 5 HA ALY 5 8.577 3.204 -16.424 57 H ALY 5 H ALY 5 6.711 2.414 -15.331 58 H GLY 6 H GLY 6 8.842 2.495 -13.664 59 HA2 GLY 6 HA2 GLY 6 10.347 2.643 -11.935 60 HA3 GLY 6 HA3 GLY 6 11.457 3.237 -13.161 61 HH31 ALY 7 HH31 ALY 7 11.207 12.920 -12.432 62 HH32 ALY 7 HH32 ALY 7 12.399 12.798 -13.747 63 HH33 ALY 7 HH33 ALY 7 11.051 13.953 -13.871 64 HZ ALY 7 HZ ALY 7 11.751 10.642 -13.556 65 HE3 ALY 7 HE3 ALY 7 9.192 9.732 -14.127 66 HE2 ALY 7 HE2 ALY 7 10.325 8.917 -15.209 67 HD3 ALY 7 HD3 ALY 7 10.607 7.482 -13.479 68 HD2 ALY 7 HD2 ALY 7 11.674 8.737 -12.837 69 HG3 ALY 7 HG3 ALY 7 10.344 8.741 -11.019 70 HG2 ALY 7 HG2 ALY 7 9.164 9.595 -12.024 71 HB3 ALY 7 HB3 ALY 7 7.801 7.886 -11.498 72 HB2 ALY 7 HB2 ALY 7 8.662 7.048 -12.780 73 HCA ALY 7 HA ALY 7 10.189 6.707 -10.386 74 H ALY 7 H ALY 7 8.564 4.501 -11.472 75 H THR 8 H THR 8 9.262 7.731 -8.628 76 HA THR 8 HA THR 8 6.939 6.325 -7.496 77 HB THR 8 HB THR 8 8.385 7.980 -5.601 78 HG1 THR 8 HG1 THR 8 10.212 7.498 -6.820 79 HG21 THR 8 HG21 THR 8 6.774 5.895 -5.387 80 HG22 THR 8 HG22 THR 8 8.294 5.004 -5.476 81 HG23 THR 8 HG23 THR 8 8.043 6.194 -4.198 82 H TRP 9 H TRP 9 6.017 7.921 -5.612 83 HA TRP 9 HA TRP 9 5.842 10.662 -6.128 84 HB2 TRP 9 HB2 TRP 9 3.421 10.615 -7.019 85 HB3 TRP 9 HB3 TRP 9 4.729 10.313 -8.160 86 HD1 TRP 9 HD1 TRP 9 2.172 8.288 -6.061 87 HE1 TRP 9 HE1 TRP 9 1.602 6.143 -7.364 88 HE3 TRP 9 HE3 TRP 9 5.386 8.850 -9.997 89 HZ2 TRP 9 HZ2 TRP 9 2.409 4.859 -9.745 90 HZ3 TRP 9 HZ3 TRP 9 5.425 7.118 -11.745 91 HH2 TRP 9 HH2 TRP 9 3.966 5.164 -11.619 92 H ARG 10 H ARG 10 4.267 7.759 -4.952 93 HA ARG 10 HA ARG 10 3.171 7.295 -3.013 94 HB2 ARG 10 HB2 ARG 10 5.144 8.563 -2.060 95 HB3 ARG 10 HB3 ARG 10 4.113 9.987 -2.027 96 HG2 ARG 10 HG2 ARG 10 2.928 7.640 -0.752 97 HG3 ARG 10 HG3 ARG 10 4.414 8.208 0.013 98 HD2 ARG 10 HD2 ARG 10 3.255 10.556 -0.239 99 HD3 ARG 10 HD3 ARG 10 1.788 9.580 -0.299 100 HE ARG 10 HE ARG 10 1.982 9.275 1.948 101 HH11 ARG 10 HH11 ARG 10 5.119 10.085 0.672 102 HH12 ARG 10 HH12 ARG 10 5.883 10.134 2.226 103 HH21 ARG 10 HH21 ARG 10 2.977 9.338 3.999 104 HH22 ARG 10 HH22 ARG 10 4.663 9.709 4.118 105 H THR 11 H THR 11 1.042 7.264 -3.355 106 HA THR 11 HA THR 11 -0.393 9.834 -3.491 107 HB THR 11 HB THR 11 -0.790 8.656 -5.513 108 HG1 THR 11 HG1 THR 11 -2.884 8.930 -5.369 109 HG21 THR 11 HG21 THR 11 -1.562 6.339 -5.601 110 HG22 THR 11 HG22 THR 11 -0.003 6.448 -4.782 111 HG23 THR 11 HG23 THR 11 -1.480 6.235 -3.841 112 HH31 ALY 12 HH31 ALY 12 -3.829 3.415 4.444 113 HH32 ALY 12 HH32 ALY 12 -4.639 4.552 5.548 114 HH33 ALY 12 HH33 ALY 12 -5.194 2.865 5.443 115 HZ ALY 12 HZ ALY 12 -4.253 4.757 2.838 116 HE3 ALY 12 HE3 ALY 12 -6.483 4.029 1.348 117 HE2 ALY 12 HE2 ALY 12 -6.193 5.755 1.114 118 HD3 ALY 12 HD3 ALY 12 -3.774 4.040 0.996 119 HD2 ALY 12 HD2 ALY 12 -4.948 3.772 -0.300 120 HG3 ALY 12 HG3 ALY 12 -4.745 5.951 -1.121 121 HG2 ALY 12 HG2 ALY 12 -4.151 6.587 0.421 122 HB3 ALY 12 HB3 ALY 12 -2.261 4.667 -0.299 123 HB2 ALY 12 HB2 ALY 12 -2.690 5.414 -1.831 124 HCA ALY 12 HA ALY 12 -2.354 7.577 -0.055 125 H ALY 12 H ALY 12 -0.412 6.576 -2.097 126 H GLN 13 H GLN 13 -2.231 5.583 1.759 127 HA GLN 13 HA GLN 13 0.528 5.826 2.738 128 HB2 GLN 13 HB2 GLN 13 -2.133 5.623 4.095 129 HB3 GLN 13 HB3 GLN 13 -0.684 5.106 4.949 130 HG2 GLN 13 HG2 GLN 13 -0.092 7.614 3.836 131 HG3 GLN 13 HG3 GLN 13 -1.704 7.744 4.538 132 HE21 GLN 13 HE21 GLN 13 -1.707 6.345 6.734 133 HE22 GLN 13 HE22 GLN 13 -0.480 6.844 7.842 134 H CYS 14 H CYS 14 1.309 4.037 1.528 135 HA CYS 14 HA CYS 14 0.265 1.484 1.431 136 HB2 CYS 14 HB2 CYS 14 2.476 2.612 0.424 137 HB3 CYS 14 HB3 CYS 14 3.212 1.718 1.750 138 HN1 NH2 15 H1 CYS 14 3.148 1.675 3.917 Start of MODEL 18 1 H1 ACE 0 H01 ACE 0 3.144 -0.196 -1.545 2 H2 ACE 0 H02 ACE 0 1.320 -0.639 -1.073 3 H TRP 1 H TRP 1 3.353 1.822 -2.514 4 HA TRP 1 HA TRP 1 0.931 3.034 -3.573 5 HB2 TRP 1 HB2 TRP 1 3.765 3.868 -4.177 6 HB3 TRP 1 HB3 TRP 1 2.300 4.839 -4.279 7 HD1 TRP 1 HD1 TRP 1 1.032 4.590 -1.505 8 HE1 TRP 1 HE1 TRP 1 2.216 5.442 0.615 9 HE3 TRP 1 HE3 TRP 1 5.851 4.598 -3.213 10 HZ2 TRP 1 HZ2 TRP 1 4.844 6.040 1.453 11 HZ3 TRP 1 HZ3 TRP 1 7.641 5.324 -1.688 12 HH2 TRP 1 HH2 TRP 1 7.146 6.031 0.595 13 H LYS 2 H LYS 2 1.685 3.952 -6.016 14 HA LYS 2 HA LYS 2 1.745 1.479 -7.584 15 HB2 LYS 2 HB2 LYS 2 -0.138 3.050 -7.930 16 HB3 LYS 2 HB3 LYS 2 1.007 4.285 -8.436 17 HG2 LYS 2 HG2 LYS 2 1.234 3.415 -10.489 18 HG3 LYS 2 HG3 LYS 2 1.216 1.751 -9.897 19 HD2 LYS 2 HD2 LYS 2 -1.329 2.338 -9.439 20 HD3 LYS 2 HD3 LYS 2 -1.036 3.503 -10.732 21 HE2 LYS 2 HE2 LYS 2 -0.034 1.514 -12.014 22 HE3 LYS 2 HE3 LYS 2 -0.844 0.510 -10.814 23 HZ1 LYS 2 HZ1 LYS 2 -2.542 0.637 -12.252 24 HZ2 LYS 2 HZ2 LYS 2 -2.821 2.152 -11.549 25 HZ3 LYS 2 HZ3 LYS 2 -1.962 2.039 -13.003 26 H THR 3 H THR 3 3.107 1.234 -9.390 27 HA THR 3 HA THR 3 5.371 3.110 -9.530 28 HB THR 3 HB THR 3 5.668 0.118 -9.795 29 HG1 THR 3 HG1 THR 3 6.407 1.716 -7.559 30 HG21 THR 3 HG21 THR 3 8.079 0.700 -9.419 31 HG22 THR 3 HG22 THR 3 7.408 1.303 -10.934 32 HG23 THR 3 HG23 THR 3 7.630 2.398 -9.570 33 H ILE 4 H ILE 4 5.691 3.880 -11.508 34 HA ILE 4 HA ILE 4 5.175 2.198 -13.833 35 HB ILE 4 HB ILE 4 3.969 4.956 -13.617 36 HG12 ILE 4 HG12 ILE 4 2.613 2.252 -13.514 37 HG13 ILE 4 HG13 ILE 4 2.802 3.354 -12.154 38 HG21 ILE 4 HG21 ILE 4 2.875 3.298 -15.676 39 HG22 ILE 4 HG22 ILE 4 3.693 4.854 -15.815 40 HG23 ILE 4 HG23 ILE 4 4.630 3.361 -15.837 41 HD11 ILE 4 HD11 ILE 4 0.991 3.527 -14.502 42 HD12 ILE 4 HD12 ILE 4 0.662 3.812 -12.794 43 HD13 ILE 4 HD13 ILE 4 1.542 5.016 -13.733 44 HH31 ALY 5 HH31 ALY 5 3.252 8.522 -15.569 45 HH32 ALY 5 HH32 ALY 5 3.391 7.819 -13.940 46 HH33 ALY 5 HH33 ALY 5 3.379 9.586 -14.148 47 HZ ALY 5 HZ ALY 5 6.706 8.086 -15.717 48 HE3 ALY 5 HE3 ALY 5 5.249 6.103 -15.661 49 HE2 ALY 5 HE2 ALY 5 4.195 6.979 -16.773 50 HD3 ALY 5 HD3 ALY 5 5.442 6.305 -18.507 51 HD2 ALY 5 HD2 ALY 5 6.850 7.128 -17.820 52 HG3 ALY 5 HG3 ALY 5 5.968 4.362 -16.936 53 HG2 ALY 5 HG2 ALY 5 7.103 4.622 -18.269 54 HB3 ALY 5 HB3 ALY 5 8.731 5.563 -16.870 55 HB2 ALY 5 HB2 ALY 5 7.573 5.923 -15.597 56 HCA ALY 5 HA ALY 5 8.615 3.169 -16.369 57 H ALY 5 H ALY 5 6.769 2.364 -15.255 58 H GLY 6 H GLY 6 8.861 2.476 -13.604 59 HA2 GLY 6 HA2 GLY 6 10.352 2.638 -11.864 60 HA3 GLY 6 HA3 GLY 6 11.469 3.228 -13.086 61 HH31 ALY 7 HH31 ALY 7 8.737 10.748 -16.954 62 HH32 ALY 7 HH32 ALY 7 9.229 10.146 -18.556 63 HH33 ALY 7 HH33 ALY 7 8.196 9.146 -17.506 64 HZ ALY 7 HZ ALY 7 10.916 7.963 -15.689 65 HE3 ALY 7 HE3 ALY 7 9.755 10.140 -14.576 66 HE2 ALY 7 HE2 ALY 7 8.584 8.842 -14.328 67 HD3 ALY 7 HD3 ALY 7 10.706 7.483 -13.532 68 HD2 ALY 7 HD2 ALY 7 11.400 9.093 -13.292 69 HG3 ALY 7 HG3 ALY 7 10.443 8.654 -11.210 70 HG2 ALY 7 HG2 ALY 7 9.184 9.606 -12.012 71 HB3 ALY 7 HB3 ALY 7 7.783 7.937 -11.521 72 HB2 ALY 7 HB2 ALY 7 8.578 7.041 -12.808 73 HCA ALY 7 HA ALY 7 10.150 6.750 -10.417 74 H ALY 7 H ALY 7 8.527 4.545 -11.535 75 H THR 8 H THR 8 9.282 7.693 -8.621 76 HA THR 8 HA THR 8 6.934 6.321 -7.504 77 HB THR 8 HB THR 8 8.384 7.975 -5.610 78 HG1 THR 8 HG1 THR 8 10.365 7.210 -5.850 79 HG21 THR 8 HG21 THR 8 8.067 6.175 -4.210 80 HG22 THR 8 HG22 THR 8 6.767 5.913 -5.371 81 HG23 THR 8 HG23 THR 8 8.266 4.995 -5.505 82 H TRP 9 H TRP 9 6.018 7.919 -5.618 83 HA TRP 9 HA TRP 9 5.845 10.661 -6.135 84 HB2 TRP 9 HB2 TRP 9 3.422 10.617 -7.024 85 HB3 TRP 9 HB3 TRP 9 4.729 10.313 -8.166 86 HD1 TRP 9 HD1 TRP 9 2.173 8.291 -6.065 87 HE1 TRP 9 HE1 TRP 9 1.598 6.147 -7.367 88 HE3 TRP 9 HE3 TRP 9 5.382 8.849 -10.004 89 HZ2 TRP 9 HZ2 TRP 9 2.400 4.861 -9.748 90 HZ3 TRP 9 HZ3 TRP 9 5.417 7.118 -11.752 91 HH2 TRP 9 HH2 TRP 9 3.956 5.165 -11.625 92 H ARG 10 H ARG 10 4.267 7.759 -4.957 93 HA ARG 10 HA ARG 10 3.172 7.297 -3.016 94 HB2 ARG 10 HB2 ARG 10 5.147 8.562 -2.066 95 HB3 ARG 10 HB3 ARG 10 4.119 9.988 -2.032 96 HG2 ARG 10 HG2 ARG 10 2.932 7.644 -0.755 97 HG3 ARG 10 HG3 ARG 10 4.419 8.209 0.008 98 HD2 ARG 10 HD2 ARG 10 3.350 10.543 -0.115 99 HD3 ARG 10 HD3 ARG 10 1.840 9.683 -0.415 100 HE ARG 10 HE ARG 10 1.797 9.051 1.789 101 HH11 ARG 10 HH11 ARG 10 4.955 10.286 1.002 102 HH12 ARG 10 HH12 ARG 10 5.503 10.300 2.646 103 HH21 ARG 10 HH21 ARG 10 2.507 9.064 3.957 104 HH22 ARG 10 HH22 ARG 10 4.110 9.605 4.325 105 H THR 11 H THR 11 1.043 7.269 -3.360 106 HA THR 11 HA THR 11 -0.389 9.841 -3.493 107 HB THR 11 HB THR 11 -0.789 8.664 -5.515 108 HG1 THR 11 HG1 THR 11 -3.101 7.982 -5.120 109 HG21 THR 11 HG21 THR 11 -1.564 6.348 -5.602 110 HG22 THR 11 HG22 THR 11 -0.005 6.455 -4.786 111 HG23 THR 11 HG23 THR 11 -1.480 6.243 -3.844 112 HH31 ALY 12 HH31 ALY 12 -6.056 0.633 0.457 113 HH32 ALY 12 HH32 ALY 12 -7.811 0.933 0.476 114 HH33 ALY 12 HH33 ALY 12 -6.742 1.959 -0.509 115 HZ ALY 12 HZ ALY 12 -4.925 2.995 1.214 116 HE3 ALY 12 HE3 ALY 12 -7.007 4.088 -0.230 117 HE2 ALY 12 HE2 ALY 12 -6.333 5.374 0.774 118 HD3 ALY 12 HD3 ALY 12 -4.338 3.664 -0.607 119 HD2 ALY 12 HD2 ALY 12 -5.349 4.654 -1.671 120 HG3 ALY 12 HG3 ALY 12 -4.525 6.649 -0.837 121 HG2 ALY 12 HG2 ALY 12 -4.151 5.959 0.750 122 HB3 ALY 12 HB3 ALY 12 -2.287 4.685 -0.261 123 HB2 ALY 12 HB2 ALY 12 -2.653 5.394 -1.828 124 HCA ALY 12 HA ALY 12 -2.351 7.586 -0.056 125 H ALY 12 H ALY 12 -0.411 6.583 -2.100 126 H GLN 13 H GLN 13 -2.228 5.592 1.757 127 HA GLN 13 HA GLN 13 0.531 5.832 2.735 128 HB2 GLN 13 HB2 GLN 13 -2.078 5.399 4.189 129 HB3 GLN 13 HB3 GLN 13 -0.507 5.296 4.972 130 HG2 GLN 13 HG2 GLN 13 -0.620 7.741 3.538 131 HG3 GLN 13 HG3 GLN 13 -2.096 7.585 4.488 132 HE21 GLN 13 HE21 GLN 13 -1.601 9.143 5.969 133 HE22 GLN 13 HE22 GLN 13 -0.320 8.991 7.119 134 H CYS 14 H CYS 14 1.309 4.042 1.522 135 HA CYS 14 HA CYS 14 0.262 1.490 1.428 136 HB2 CYS 14 HB2 CYS 14 2.471 2.615 0.413 137 HB3 CYS 14 HB3 CYS 14 3.210 1.724 1.740 138 HN1 NH2 15 H1 CYS 14 2.957 1.938 4.201 Start of MODEL 19 1 H1 ACE 0 H01 ACE 0 3.234 -0.141 -1.537 2 H2 ACE 0 H02 ACE 0 1.432 -0.679 -1.119 3 H TRP 1 H TRP 1 3.406 1.815 -2.560 4 HA TRP 1 HA TRP 1 0.958 3.024 -3.575 5 HB2 TRP 1 HB2 TRP 1 3.779 3.892 -4.197 6 HB3 TRP 1 HB3 TRP 1 2.303 4.849 -4.281 7 HD1 TRP 1 HD1 TRP 1 1.064 4.566 -1.497 8 HE1 TRP 1 HE1 TRP 1 2.256 5.418 0.619 9 HE3 TRP 1 HE3 TRP 1 5.866 4.642 -3.247 10 HZ2 TRP 1 HZ2 TRP 1 4.885 6.040 1.437 11 HZ3 TRP 1 HZ3 TRP 1 7.661 5.379 -1.735 12 HH2 TRP 1 HH2 TRP 1 7.179 6.064 0.559 13 H LYS 2 H LYS 2 1.685 3.965 -6.019 14 HA LYS 2 HA LYS 2 1.735 1.505 -7.603 15 HB2 LYS 2 HB2 LYS 2 -0.134 3.075 -7.953 16 HB3 LYS 2 HB3 LYS 2 1.011 4.329 -8.412 17 HG2 LYS 2 HG2 LYS 2 1.661 3.097 -10.367 18 HG3 LYS 2 HG3 LYS 2 0.676 1.719 -9.874 19 HD2 LYS 2 HD2 LYS 2 -1.249 3.514 -9.883 20 HD3 LYS 2 HD3 LYS 2 -0.158 4.357 -10.985 21 HE2 LYS 2 HE2 LYS 2 -1.331 3.116 -12.496 22 HE3 LYS 2 HE3 LYS 2 -0.045 1.970 -12.119 23 HZ1 LYS 2 HZ1 LYS 2 -2.853 1.760 -11.648 24 HZ2 LYS 2 HZ2 LYS 2 -1.664 0.556 -11.613 25 HZ3 LYS 2 HZ3 LYS 2 -1.963 1.490 -10.234 26 H THR 3 H THR 3 3.097 1.252 -9.404 27 HA THR 3 HA THR 3 5.376 3.111 -9.543 28 HB THR 3 HB THR 3 5.634 0.110 -9.786 29 HG1 THR 3 HG1 THR 3 6.012 0.045 -7.688 30 HG21 THR 3 HG21 THR 3 7.501 0.855 -10.851 31 HG22 THR 3 HG22 THR 3 7.475 2.419 -10.037 32 HG23 THR 3 HG23 THR 3 8.091 0.997 -9.196 33 H ILE 4 H ILE 4 5.680 3.889 -11.518 34 HA ILE 4 HA ILE 4 5.171 2.208 -13.846 35 HB ILE 4 HB ILE 4 3.953 4.960 -13.626 36 HG12 ILE 4 HG12 ILE 4 2.616 2.247 -13.517 37 HG13 ILE 4 HG13 ILE 4 2.789 3.361 -12.165 38 HG21 ILE 4 HG21 ILE 4 4.597 3.328 -15.844 39 HG22 ILE 4 HG22 ILE 4 2.841 3.342 -15.686 40 HG23 ILE 4 HG23 ILE 4 3.726 4.861 -15.829 41 HD11 ILE 4 HD11 ILE 4 1.557 4.813 -14.220 42 HD12 ILE 4 HD12 ILE 4 0.757 3.242 -14.167 43 HD13 ILE 4 HD13 ILE 4 0.840 4.239 -12.714 44 HH31 ALY 5 HH31 ALY 5 3.779 10.237 -15.355 45 HH32 ALY 5 HH32 ALY 5 3.179 8.562 -15.428 46 HH33 ALY 5 HH33 ALY 5 3.283 9.405 -13.864 47 HZ ALY 5 HZ ALY 5 6.708 8.066 -15.478 48 HE3 ALY 5 HE3 ALY 5 5.243 6.159 -15.560 49 HE2 ALY 5 HE2 ALY 5 4.185 7.081 -16.633 50 HD3 ALY 5 HD3 ALY 5 5.379 6.405 -18.402 51 HD2 ALY 5 HD2 ALY 5 6.815 7.197 -17.738 52 HG3 ALY 5 HG3 ALY 5 5.919 4.437 -16.856 53 HG2 ALY 5 HG2 ALY 5 7.004 4.688 -18.231 54 HB3 ALY 5 HB3 ALY 5 8.704 5.586 -16.894 55 HB2 ALY 5 HB2 ALY 5 7.604 5.963 -15.575 56 HCA ALY 5 HA ALY 5 8.598 3.206 -16.392 57 H ALY 5 H ALY 5 6.764 2.384 -15.268 58 H GLY 6 H GLY 6 8.859 2.475 -13.638 59 HA2 GLY 6 HA2 GLY 6 10.361 2.610 -11.905 60 HA3 GLY 6 HA3 GLY 6 11.472 3.213 -13.126 61 HH31 ALY 7 HH31 ALY 7 12.603 10.532 -18.140 62 HH32 ALY 7 HH32 ALY 7 13.465 11.068 -16.677 63 HH33 ALY 7 HH33 ALY 7 13.344 9.332 -17.055 64 HZ ALY 7 HZ ALY 7 12.202 10.284 -14.544 65 HE3 ALY 7 HE3 ALY 7 9.977 10.245 -13.912 66 HE2 ALY 7 HE2 ALY 7 9.678 8.850 -14.954 67 HD3 ALY 7 HD3 ALY 7 10.592 7.350 -13.460 68 HD2 ALY 7 HD2 ALY 7 11.723 8.535 -12.792 69 HG3 ALY 7 HG3 ALY 7 10.326 8.754 -11.047 70 HG2 ALY 7 HG2 ALY 7 9.194 9.557 -12.146 71 HB3 ALY 7 HB3 ALY 7 7.808 7.901 -11.468 72 HB2 ALY 7 HB2 ALY 7 8.605 7.028 -12.769 73 HCA ALY 7 HA ALY 7 10.184 6.697 -10.391 74 H ALY 7 H ALY 7 8.549 4.509 -11.520 75 H THR 8 H THR 8 9.220 7.762 -8.657 76 HA THR 8 HA THR 8 6.917 6.329 -7.511 77 HB THR 8 HB THR 8 8.441 8.010 -5.663 78 HG1 THR 8 HG1 THR 8 10.249 7.362 -6.757 79 HG21 THR 8 HG21 THR 8 8.509 5.464 -4.705 80 HG22 THR 8 HG22 THR 8 7.178 6.591 -4.449 81 HG23 THR 8 HG23 THR 8 7.088 5.402 -5.747 82 H TRP 9 H TRP 9 5.996 7.923 -5.624 83 HA TRP 9 HA TRP 9 5.815 10.664 -6.138 84 HB2 TRP 9 HB2 TRP 9 3.391 10.611 -7.025 85 HB3 TRP 9 HB3 TRP 9 4.697 10.315 -8.168 86 HD1 TRP 9 HD1 TRP 9 2.153 8.279 -6.068 87 HE1 TRP 9 HE1 TRP 9 1.586 6.134 -7.373 88 HE3 TRP 9 HE3 TRP 9 5.356 8.858 -10.010 89 HZ2 TRP 9 HZ2 TRP 9 2.391 4.856 -9.758 90 HZ3 TRP 9 HZ3 TRP 9 5.396 7.129 -11.760 91 HH2 TRP 9 HH2 TRP 9 3.945 5.170 -11.635 92 H ARG 10 H ARG 10 4.245 7.758 -4.962 93 HA ARG 10 HA ARG 10 3.155 7.291 -3.020 94 HB2 ARG 10 HB2 ARG 10 5.127 8.562 -2.071 95 HB3 ARG 10 HB3 ARG 10 4.094 9.984 -2.034 96 HG2 ARG 10 HG2 ARG 10 2.923 7.629 -0.758 97 HG3 ARG 10 HG3 ARG 10 4.405 8.209 0.005 98 HD2 ARG 10 HD2 ARG 10 2.344 10.217 -0.731 99 HD3 ARG 10 HD3 ARG 10 2.010 9.166 0.645 100 HE ARG 10 HE ARG 10 4.556 10.136 1.042 101 HH11 ARG 10 HH11 ARG 10 1.367 11.480 0.666 102 HH12 ARG 10 HH12 ARG 10 1.692 12.865 1.653 103 HH21 ARG 10 HH21 ARG 10 4.997 11.956 2.343 104 HH22 ARG 10 HH22 ARG 10 3.758 13.136 2.607 105 H THR 11 H THR 11 1.025 7.258 -3.357 106 HA THR 11 HA THR 11 -0.415 9.823 -3.508 107 HB THR 11 HB THR 11 -0.828 8.612 -5.506 108 HG1 THR 11 HG1 THR 11 -2.963 8.726 -5.387 109 HG21 THR 11 HG21 THR 11 -0.032 6.418 -4.762 110 HG22 THR 11 HG22 THR 11 -1.487 6.219 -3.784 111 HG23 THR 11 HG23 THR 11 -1.609 6.292 -5.542 112 HH31 ALY 12 HH31 ALY 12 -6.301 0.581 -2.322 113 HH32 ALY 12 HH32 ALY 12 -6.577 1.651 -0.925 114 HH33 ALY 12 HH33 ALY 12 -7.951 1.101 -1.913 115 HZ ALY 12 HZ ALY 12 -5.695 4.096 -3.323 116 HE3 ALY 12 HE3 ALY 12 -6.050 3.654 -0.614 117 HE2 ALY 12 HE2 ALY 12 -4.331 3.462 -0.972 118 HD3 ALY 12 HD3 ALY 12 -4.725 5.711 -2.350 119 HD2 ALY 12 HD2 ALY 12 -6.076 5.891 -1.222 120 HG3 ALY 12 HG3 ALY 12 -4.283 6.988 -0.154 121 HG2 ALY 12 HG2 ALY 12 -4.365 5.410 0.644 122 HB3 ALY 12 HB3 ALY 12 -2.363 4.751 -0.155 123 HB2 ALY 12 HB2 ALY 12 -2.667 5.422 -1.750 124 HCA ALY 12 HA ALY 12 -2.305 7.638 0.009 125 H ALY 12 H ALY 12 -0.407 6.594 -2.051 126 H GLN 13 H GLN 13 -2.207 5.640 1.818 127 HA GLN 13 HA GLN 13 0.570 5.814 2.754 128 HB2 GLN 13 HB2 GLN 13 -2.029 5.404 4.231 129 HB3 GLN 13 HB3 GLN 13 -0.454 5.246 4.995 130 HG2 GLN 13 HG2 GLN 13 -0.037 7.489 4.929 131 HG3 GLN 13 HG3 GLN 13 -1.056 7.749 3.514 132 HE21 GLN 13 HE21 GLN 13 -0.973 7.405 6.968 133 HE22 GLN 13 HE22 GLN 13 -2.572 7.987 7.270 134 H CYS 14 H CYS 14 1.355 4.036 1.561 135 HA CYS 14 HA CYS 14 0.278 1.502 1.392 136 HB2 CYS 14 HB2 CYS 14 2.521 2.613 0.447 137 HB3 CYS 14 HB3 CYS 14 3.222 1.695 1.776 138 HN1 NH2 15 H1 CYS 14 3.116 1.618 3.920 Start of MODEL 20 1 H1 ACE 0 H01 ACE 0 3.053 -0.256 -1.617 2 H2 ACE 0 H02 ACE 0 1.229 -0.715 -1.185 3 H TRP 1 H TRP 1 3.284 1.750 -2.581 4 HA TRP 1 HA TRP 1 0.880 3.008 -3.628 5 HB2 TRP 1 HB2 TRP 1 3.725 3.821 -4.207 6 HB3 TRP 1 HB3 TRP 1 2.271 4.810 -4.301 7 HD1 TRP 1 HD1 TRP 1 0.989 4.533 -1.537 8 HE1 TRP 1 HE1 TRP 1 2.173 5.343 0.601 9 HE3 TRP 1 HE3 TRP 1 5.816 4.515 -3.224 10 HZ2 TRP 1 HZ2 TRP 1 4.804 5.900 1.459 11 HZ3 TRP 1 HZ3 TRP 1 7.606 5.201 -1.682 12 HH2 TRP 1 HH2 TRP 1 7.109 5.879 0.611 13 H LYS 2 H LYS 2 1.656 3.953 -6.055 14 HA LYS 2 HA LYS 2 1.694 1.501 -7.655 15 HB2 LYS 2 HB2 LYS 2 -0.166 3.099 -7.990 16 HB3 LYS 2 HB3 LYS 2 0.995 4.328 -8.472 17 HG2 LYS 2 HG2 LYS 2 1.184 3.508 -10.540 18 HG3 LYS 2 HG3 LYS 2 1.223 1.835 -9.979 19 HD2 LYS 2 HD2 LYS 2 -1.324 2.278 -9.498 20 HD3 LYS 2 HD3 LYS 2 -1.110 3.545 -10.708 21 HE2 LYS 2 HE2 LYS 2 0.123 1.425 -11.897 22 HE3 LYS 2 HE3 LYS 2 -1.178 0.629 -11.014 23 HZ1 LYS 2 HZ1 LYS 2 -1.896 3.013 -12.524 24 HZ2 LYS 2 HZ2 LYS 2 -1.496 1.643 -13.432 25 HZ3 LYS 2 HZ3 LYS 2 -2.755 1.570 -12.302 26 H THR 3 H THR 3 3.064 1.265 -9.457 27 HA THR 3 HA THR 3 5.350 3.117 -9.562 28 HB THR 3 HB THR 3 5.615 0.124 -9.861 29 HG1 THR 3 HG1 THR 3 6.195 1.761 -7.597 30 HG21 THR 3 HG21 THR 3 7.615 2.366 -9.570 31 HG22 THR 3 HG22 THR 3 8.026 0.653 -9.496 32 HG23 THR 3 HG23 THR 3 7.365 1.338 -10.981 33 H ILE 4 H ILE 4 5.687 3.908 -11.528 34 HA ILE 4 HA ILE 4 5.167 2.259 -13.877 35 HB ILE 4 HB ILE 4 3.988 5.027 -13.635 36 HG12 ILE 4 HG12 ILE 4 2.601 2.338 -13.571 37 HG13 ILE 4 HG13 ILE 4 2.799 3.419 -12.196 38 HG21 ILE 4 HG21 ILE 4 2.887 3.403 -15.717 39 HG22 ILE 4 HG22 ILE 4 3.720 4.953 -15.836 40 HG23 ILE 4 HG23 ILE 4 4.644 3.451 -15.869 41 HD11 ILE 4 HD11 ILE 4 1.468 5.117 -13.410 42 HD12 ILE 4 HD12 ILE 4 1.184 3.926 -14.679 43 HD13 ILE 4 HD13 ILE 4 0.579 3.637 -13.049 44 HH31 ALY 5 HH31 ALY 5 3.032 8.362 -14.458 45 HH32 ALY 5 HH32 ALY 5 3.261 10.084 -14.848 46 HH33 ALY 5 HH33 ALY 5 3.326 8.861 -16.140 47 HZ ALY 5 HZ ALY 5 6.680 8.191 -15.498 48 HE3 ALY 5 HE3 ALY 5 5.392 6.217 -15.577 49 HE2 ALY 5 HE2 ALY 5 4.246 7.016 -16.658 50 HD3 ALY 5 HD3 ALY 5 5.454 6.424 -18.451 51 HD2 ALY 5 HD2 ALY 5 6.885 7.228 -17.791 52 HG3 ALY 5 HG3 ALY 5 6.000 4.447 -16.949 53 HG2 ALY 5 HG2 ALY 5 7.135 4.741 -18.275 54 HB3 ALY 5 HB3 ALY 5 8.771 5.625 -16.858 55 HB2 ALY 5 HB2 ALY 5 7.616 5.984 -15.581 56 HCA ALY 5 HA ALY 5 8.626 3.227 -16.387 57 H ALY 5 H ALY 5 6.765 2.429 -15.293 58 H GLY 6 H GLY 6 8.853 2.493 -13.632 59 HA2 GLY 6 HA2 GLY 6 10.340 2.613 -11.884 60 HA3 GLY 6 HA3 GLY 6 11.468 3.209 -13.092 61 HH31 ALY 7 HH31 ALY 7 11.508 6.951 -17.790 62 HH32 ALY 7 HH32 ALY 7 12.618 8.334 -17.634 63 HH33 ALY 7 HH33 ALY 7 12.471 7.156 -16.309 64 HZ ALY 7 HZ ALY 7 11.320 10.204 -15.841 65 HE3 ALY 7 HE3 ALY 7 10.299 10.466 -13.899 66 HE2 ALY 7 HE2 ALY 7 9.248 9.212 -14.564 67 HD3 ALY 7 HD3 ALY 7 10.611 7.470 -13.469 68 HD2 ALY 7 HD2 ALY 7 11.690 8.713 -12.820 69 HG3 ALY 7 HG3 ALY 7 10.351 8.735 -11.010 70 HG2 ALY 7 HG2 ALY 7 9.183 9.598 -12.022 71 HB3 ALY 7 HB3 ALY 7 7.804 7.902 -11.494 72 HB2 ALY 7 HB2 ALY 7 8.658 7.056 -12.776 73 HCA ALY 7 HA ALY 7 10.177 6.705 -10.376 74 H ALY 7 H ALY 7 8.534 4.533 -11.528 75 H THR 8 H THR 8 9.297 7.651 -8.578 76 HA THR 8 HA THR 8 6.937 6.281 -7.486 77 HB THR 8 HB THR 8 8.395 7.894 -5.564 78 HG1 THR 8 HG1 THR 8 10.317 7.439 -6.388 79 HG21 THR 8 HG21 THR 8 6.751 5.878 -5.324 80 HG22 THR 8 HG22 THR 8 8.211 4.909 -5.528 81 HG23 THR 8 HG23 THR 8 8.093 6.055 -4.193 82 H TRP 9 H TRP 9 6.027 7.862 -5.584 83 HA TRP 9 HA TRP 9 5.884 10.612 -6.063 84 HB2 TRP 9 HB2 TRP 9 3.465 10.604 -6.965 85 HB3 TRP 9 HB3 TRP 9 4.775 10.304 -8.104 86 HD1 TRP 9 HD1 TRP 9 2.190 8.277 -6.042 87 HE1 TRP 9 HE1 TRP 9 1.600 6.158 -7.377 88 HE3 TRP 9 HE3 TRP 9 5.422 8.860 -9.960 89 HZ2 TRP 9 HZ2 TRP 9 2.400 4.898 -9.774 90 HZ3 TRP 9 HZ3 TRP 9 5.448 7.152 -11.732 91 HH2 TRP 9 HH2 TRP 9 3.968 5.213 -11.639 92 H ARG 10 H ARG 10 4.271 7.711 -4.932 93 HA ARG 10 HA ARG 10 3.162 7.233 -3.004 94 HB2 ARG 10 HB2 ARG 10 5.145 8.463 -2.026 95 HB3 ARG 10 HB3 ARG 10 4.134 9.900 -1.978 96 HG2 ARG 10 HG2 ARG 10 2.913 7.553 -0.739 97 HG3 ARG 10 HG3 ARG 10 4.402 8.092 0.040 98 HD2 ARG 10 HD2 ARG 10 2.730 10.342 -0.611 99 HD3 ARG 10 HD3 ARG 10 1.829 9.159 0.339 100 HE ARG 10 HE ARG 10 4.418 9.721 1.425 101 HH11 ARG 10 HH11 ARG 10 1.117 10.814 1.257 102 HH12 ARG 10 HH12 ARG 10 1.186 11.667 2.762 103 HH21 ARG 10 HH21 ARG 10 4.522 10.841 3.410 104 HH22 ARG 10 HH22 ARG 10 3.122 11.682 3.986 105 H THR 11 H THR 11 1.035 7.234 -3.364 106 HA THR 11 HA THR 11 -0.369 9.822 -3.469 107 HB THR 11 HB THR 11 -0.773 8.673 -5.506 108 HG1 THR 11 HG1 THR 11 -2.794 9.211 -5.225 109 HG21 THR 11 HG21 THR 11 -0.015 6.447 -4.804 110 HG22 THR 11 HG22 THR 11 -1.494 6.241 -3.864 111 HG23 THR 11 HG23 THR 11 -1.576 6.367 -5.622 112 HH31 ALY 12 HH31 ALY 12 -8.197 8.072 -4.106 113 HH32 ALY 12 HH32 ALY 12 -6.538 8.329 -4.697 114 HH33 ALY 12 HH33 ALY 12 -7.253 6.698 -4.725 115 HZ ALY 12 HZ ALY 12 -7.274 5.593 -2.829 116 HE3 ALY 12 HE3 ALY 12 -6.449 6.531 -0.162 117 HE2 ALY 12 HE2 ALY 12 -7.148 4.947 -0.508 118 HD3 ALY 12 HD3 ALY 12 -5.178 4.117 -1.218 119 HD2 ALY 12 HD2 ALY 12 -4.866 5.526 -2.242 120 HG3 ALY 12 HG3 ALY 12 -4.309 6.751 -0.015 121 HG2 ALY 12 HG2 ALY 12 -4.205 5.128 0.684 122 HB3 ALY 12 HB3 ALY 12 -2.279 4.630 -0.394 123 HB2 ALY 12 HB2 ALY 12 -2.770 5.450 -1.870 124 HCA ALY 12 HA ALY 12 -2.367 7.548 -0.065 125 H ALY 12 H ALY 12 -0.429 6.548 -2.111 126 H GLN 13 H GLN 13 -2.274 5.531 1.724 127 HA GLN 13 HA GLN 13 0.486 5.722 2.711 128 HB2 GLN 13 HB2 GLN 13 -1.650 6.582 3.994 129 HB3 GLN 13 HB3 GLN 13 -1.798 4.891 4.451 130 HG2 GLN 13 HG2 GLN 13 0.423 4.940 5.432 131 HG3 GLN 13 HG3 GLN 13 0.618 6.620 4.934 132 HE21 GLN 13 HE21 GLN 13 0.055 8.140 6.326 133 HE22 GLN 13 HE22 GLN 13 -0.909 7.908 7.740 134 H CYS 14 H CYS 14 1.256 3.930 1.513 135 HA CYS 14 HA CYS 14 0.167 1.398 1.371 136 HB2 CYS 14 HB2 CYS 14 2.437 2.512 0.441 137 HB3 CYS 14 HB3 CYS 14 3.106 1.534 1.743 138 HN1 NH2 15 H1 CYS 14 -0.436 0.012 3.440
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