NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
609515 | 2n9m | 25911 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 VAL 1 H VAL 1 1.807 0.001 0.856 2 HA VAL 1 HA VAL 1 2.754 -0.857 -1.226 3 HB VAL 1 HB VAL 1 1.760 0.053 -3.356 4 HG11 VAL 1 1HG1 VAL 1 0.648 -1.877 -3.579 5 HG12 VAL 1 2HG1 VAL 1 1.143 -2.191 -1.914 6 HG13 VAL 1 3HG1 VAL 1 -0.448 -1.505 -2.249 7 HG21 VAL 1 3HG2 VAL 1 0.451 1.827 -1.970 8 HG22 VAL 1 1HG2 VAL 1 -0.285 1.125 -3.411 9 HG23 VAL 1 2HG2 VAL 1 -0.751 0.547 -1.812 10 H ALA 2 H ALA 2 4.417 0.231 -2.220 11 HA ALA 2 HA ALA 2 4.535 3.137 -1.728 12 HB1 ALA 2 1HB ALA 2 6.075 1.628 -0.359 13 HB2 ALA 2 2HB ALA 2 6.958 1.371 -1.864 14 HB3 ALA 2 3HB ALA 2 6.810 2.996 -1.195 15 H ARG 3 H ARG 3 3.416 2.863 -3.973 16 HA ARG 3 HA ARG 3 4.853 2.105 -6.240 17 HB2 ARG 3 2HB ARG 3 2.649 4.129 -5.860 18 HB3 ARG 3 3HB ARG 3 3.302 3.722 -7.442 19 HG2 ARG 3 2HG ARG 3 2.001 1.939 -7.569 20 HG3 ARG 3 3HG ARG 3 2.632 1.321 -6.042 21 HD2 ARG 3 2HD ARG 3 0.475 1.568 -5.402 22 HD3 ARG 3 3HD ARG 3 1.005 3.222 -5.098 23 HE ARG 3 HE ARG 3 0.138 3.082 -7.742 24 HH11 ARG 3 1HH1 ARG 3 -1.176 2.775 -4.532 25 HH12 ARG 3 2HH1 ARG 3 -2.754 3.329 -4.984 26 HH21 ARG 3 2HH2 ARG 3 -3.185 3.919 -7.155 27 HH22 ARG 3 1HH2 ARG 3 -1.936 3.814 -8.349 28 H GLY 4 H GLY 4 5.039 4.973 -4.289 29 HA2 GLY 4 2HA GLY 4 6.689 6.336 -6.293 30 HA3 GLY 4 3HA GLY 4 6.045 7.054 -4.825 31 H TRP 5 H TRP 5 7.597 3.948 -4.728 32 HA TRP 5 HA TRP 5 9.504 4.862 -2.817 33 HB2 TRP 5 2HB TRP 5 8.578 2.580 -2.764 34 HB3 TRP 5 3HB TRP 5 9.368 2.227 -4.298 35 HD1 TRP 5 HD1 TRP 5 11.266 4.168 -1.619 36 HE1 TRP 5 HE1 TRP 5 13.185 2.699 -0.734 37 HE3 TRP 5 HE3 TRP 5 10.063 -0.224 -3.941 38 HZ2 TRP 5 HZ2 TRP 5 14.072 0.031 -0.987 39 HZ3 TRP 5 HZ3 TRP 5 11.498 -2.188 -3.567 40 HH2 TRP 5 HH2 TRP 5 13.461 -2.060 -2.121 41 H LYS 6 H LYS 6 9.550 4.287 -6.260 42 HA LYS 6 HA LYS 6 12.395 5.057 -6.316 43 HB2 LYS 6 2HB LYS 6 12.526 3.878 -8.488 44 HB3 LYS 6 3HB LYS 6 12.101 2.806 -7.160 45 HG2 LYS 6 2HG LYS 6 10.434 2.093 -8.438 46 HG3 LYS 6 3HG LYS 6 9.654 3.645 -8.124 47 HD2 LYS 6 2HD LYS 6 9.671 3.877 -10.356 48 HD3 LYS 6 3HD LYS 6 11.377 4.280 -10.145 49 HE2 LYS 6 2HE LYS 6 12.053 2.067 -10.662 50 HE3 LYS 6 3HE LYS 6 10.401 1.462 -10.549 51 HZ1 LYS 6 3HZ LYS 6 9.853 2.855 -12.492 52 HZ2 LYS 6 1HZ LYS 6 11.008 1.669 -12.840 53 HZ3 LYS 6 2HZ LYS 6 11.484 3.279 -12.632 54 H ARG 7 H ARG 7 9.193 5.678 -7.509 55 HA ARG 7 HA ARG 7 9.770 7.292 -9.714 56 HB2 ARG 7 2HB ARG 7 7.480 6.512 -8.315 57 HB3 ARG 7 3HB ARG 7 7.487 8.268 -8.219 58 HG2 ARG 7 2HG ARG 7 6.226 7.622 -10.137 59 HG3 ARG 7 3HG ARG 7 7.740 8.341 -10.690 60 HD2 ARG 7 2HD ARG 7 8.646 5.980 -10.836 61 HD3 ARG 7 3HD ARG 7 6.987 5.430 -10.602 62 HE ARG 7 HE ARG 7 8.118 6.551 -12.990 63 HH11 ARG 7 1HH1 ARG 7 5.183 6.044 -11.187 64 HH12 ARG 7 2HH1 ARG 7 4.157 6.141 -12.579 65 HH21 ARG 7 2HH2 ARG 7 5.065 6.502 -14.652 66 HH22 ARG 7 1HH2 ARG 7 6.777 6.681 -14.831 67 H LYS 8 H LYS 8 9.799 7.987 -6.285 68 HA LYS 8 HA LYS 8 10.612 10.755 -6.886 69 HB2 LYS 8 2HB LYS 8 9.379 9.674 -4.345 70 HB3 LYS 8 3HB LYS 8 9.835 11.348 -4.637 71 HG2 LYS 8 2HG LYS 8 7.807 11.726 -5.428 72 HG3 LYS 8 3HG LYS 8 8.139 10.607 -6.752 73 HD2 LYS 8 2HD LYS 8 6.157 9.834 -5.714 74 HD3 LYS 8 3HD LYS 8 7.444 8.747 -5.186 75 HE2 LYS 8 2HE LYS 8 6.371 9.169 -3.196 76 HE3 LYS 8 3HE LYS 8 7.622 10.411 -3.178 77 HZ1 LYS 8 3HZ LYS 8 5.309 11.156 -2.589 78 HZ2 LYS 8 1HZ LYS 8 4.894 10.917 -4.212 79 HZ3 LYS 8 2HZ LYS 8 6.079 12.052 -3.800 80 H CYS 9 H CYS 9 11.352 7.830 -5.114 81 HA CYS 9 HA CYS 9 13.925 9.021 -4.311 82 HB2 CYS 9 2HB CYS 9 12.167 8.179 -2.538 83 HB3 CYS 9 3HB CYS 9 12.820 6.598 -2.949 84 HG CYS 9 HG CYS 9 13.924 7.839 -0.548 85 HA PRO 10 HA PRO 10 14.763 5.662 -7.407 86 HB2 PRO 10 2HB PRO 10 16.590 7.093 -8.816 87 HB3 PRO 10 3HB PRO 10 14.854 7.173 -9.136 88 HG2 PRO 10 2HG PRO 10 16.581 9.054 -7.574 89 HG3 PRO 10 3HG PRO 10 15.297 9.421 -8.741 90 HD2 PRO 10 2HD PRO 10 14.906 9.531 -6.064 91 HD3 PRO 10 3HD PRO 10 13.621 9.071 -7.199 92 H LEU 11 H LEU 11 16.660 7.635 -5.280 93 HA LEU 11 HA LEU 11 19.157 6.341 -5.619 94 HB2 LEU 11 2HB LEU 11 18.398 8.569 -4.363 95 HB3 LEU 11 3HB LEU 11 18.438 7.481 -2.978 96 HG LEU 11 HG LEU 11 20.847 6.936 -3.923 97 HD11 LEU 11 1HD1 LEU 11 21.618 8.276 -5.508 98 HD12 LEU 11 2HD1 LEU 11 21.246 9.696 -4.532 99 HD13 LEU 11 3HD1 LEU 11 20.027 9.030 -5.618 100 HD21 LEU 11 3HD2 LEU 11 19.913 9.191 -2.197 101 HD22 LEU 11 1HD2 LEU 11 21.632 8.983 -2.532 102 HD23 LEU 11 2HD2 LEU 11 20.725 7.692 -1.742 103 H PHE 12 H PHE 12 16.323 5.646 -3.700 104 HA PHE 12 HA PHE 12 17.687 3.269 -2.617 105 HB2 PHE 12 2HB PHE 12 15.467 4.938 -1.431 106 HB3 PHE 12 3HB PHE 12 15.930 3.360 -0.801 107 HD1 PHE 12 HD1 PHE 12 18.829 3.419 -0.939 108 HD2 PHE 12 HD2 PHE 12 16.094 6.493 0.152 109 HE1 PHE 12 HE1 PHE 12 20.573 4.478 0.436 110 HE2 PHE 12 HE2 PHE 12 17.834 7.557 1.527 111 HZ PHE 12 HZ PHE 12 20.077 6.550 1.670 112 H GLY 13 H GLY 13 16.263 3.616 -5.194 113 HA2 GLY 13 2HA GLY 13 14.006 1.765 -4.762 114 HA3 GLY 13 3HA GLY 13 14.162 2.850 -6.135 115 H LYS 14 H LYS 14 16.843 0.973 -4.911 116 HA LYS 14 HA LYS 14 17.497 -0.100 -7.413 117 HB2 LYS 14 2HB LYS 14 18.245 -1.169 -4.685 118 HB3 LYS 14 3HB LYS 14 19.061 -1.538 -6.198 119 HG2 LYS 14 2HG LYS 14 19.837 0.709 -6.411 120 HG3 LYS 14 3HG LYS 14 18.851 1.232 -5.043 121 HD2 LYS 14 2HD LYS 14 20.172 -0.070 -3.518 122 HD3 LYS 14 3HD LYS 14 21.066 -0.807 -4.851 123 HE2 LYS 14 2HE LYS 14 21.867 1.488 -5.459 124 HE3 LYS 14 3HE LYS 14 21.127 2.076 -3.971 125 HZ1 LYS 14 3HZ LYS 14 23.033 1.566 -2.986 126 HZ2 LYS 14 1HZ LYS 14 23.612 0.733 -4.340 127 HZ3 LYS 14 2HZ LYS 14 22.650 -0.067 -3.202 128 H GLY 15 H GLY 15 15.354 -1.229 -4.910 129 HA2 GLY 15 2HA GLY 15 14.968 -3.757 -6.378 130 HA3 GLY 15 3HA GLY 15 14.557 -3.501 -4.689 131 H GLY 16 H GLY 16 13.821 -1.386 -7.430 132 HA2 GLY 16 2HA GLY 16 11.106 -1.106 -6.618 133 HA3 GLY 16 3HA GLY 16 11.810 -0.497 -8.109 Start of MODEL 2 1 H1 VAL 1 H VAL 1 1.719 -1.127 -2.280 2 HA VAL 1 HA VAL 1 0.741 0.913 -1.719 3 HB VAL 1 HB VAL 1 2.559 0.984 0.690 4 HG11 VAL 1 1HG1 VAL 1 0.122 2.582 -0.082 5 HG12 VAL 1 2HG1 VAL 1 0.900 2.646 1.500 6 HG13 VAL 1 3HG1 VAL 1 1.778 3.170 0.062 7 HG21 VAL 1 3HG2 VAL 1 1.068 -0.956 0.795 8 HG22 VAL 1 1HG2 VAL 1 0.632 0.259 1.997 9 HG23 VAL 1 2HG2 VAL 1 -0.321 0.096 0.522 10 H ALA 2 H ALA 2 4.173 0.281 -1.546 11 HA ALA 2 HA ALA 2 4.867 2.993 -2.322 12 HB1 ALA 2 1HB ALA 2 6.538 0.544 -1.794 13 HB2 ALA 2 2HB ALA 2 7.205 2.098 -2.298 14 HB3 ALA 2 3HB ALA 2 6.347 1.963 -0.763 15 H ARG 3 H ARG 3 3.284 2.191 -4.257 16 HA ARG 3 HA ARG 3 4.343 0.661 -6.340 17 HB2 ARG 3 2HB ARG 3 2.733 1.907 -7.789 18 HB3 ARG 3 3HB ARG 3 2.011 1.229 -6.336 19 HG2 ARG 3 2HG ARG 3 2.217 3.471 -5.271 20 HG3 ARG 3 3HG ARG 3 2.754 4.102 -6.829 21 HD2 ARG 3 2HD ARG 3 0.183 2.583 -6.588 22 HD3 ARG 3 3HD ARG 3 0.257 4.298 -6.186 23 HE ARG 3 HE ARG 3 1.419 3.973 -8.694 24 HH11 ARG 3 1HH1 ARG 3 -1.696 3.590 -7.187 25 HH12 ARG 3 2HH1 ARG 3 -2.584 3.928 -8.635 26 HH21 ARG 3 2HH2 ARG 3 -1.469 4.399 -10.581 27 HH22 ARG 3 1HH2 ARG 3 0.261 4.420 -10.608 28 H GLY 4 H GLY 4 4.863 4.004 -5.445 29 HA2 GLY 4 2HA GLY 4 6.621 4.321 -7.797 30 HA3 GLY 4 3HA GLY 4 5.825 5.651 -6.969 31 H TRP 5 H TRP 5 7.704 2.902 -5.720 32 HA TRP 5 HA TRP 5 8.983 4.289 -3.698 33 HB2 TRP 5 2HB TRP 5 8.964 1.703 -4.500 34 HB3 TRP 5 3HB TRP 5 10.584 2.173 -5.006 35 HD1 TRP 5 HD1 TRP 5 11.247 4.110 -2.533 36 HE1 TRP 5 HE1 TRP 5 11.722 3.065 -0.229 37 HE3 TRP 5 HE3 TRP 5 8.984 -0.422 -3.217 38 HZ2 TRP 5 HZ2 TRP 5 11.205 0.639 1.119 39 HZ3 TRP 5 HZ3 TRP 5 9.019 -2.049 -1.371 40 HH2 TRP 5 HH2 TRP 5 10.108 -1.527 0.751 41 H LYS 6 H LYS 6 9.758 4.105 -7.096 42 HA LYS 6 HA LYS 6 12.257 5.572 -6.670 43 HB2 LYS 6 2HB LYS 6 12.678 5.127 -9.063 44 HB3 LYS 6 3HB LYS 6 12.417 3.651 -8.143 45 HG2 LYS 6 2HG LYS 6 10.957 3.082 -9.714 46 HG3 LYS 6 3HG LYS 6 9.890 4.312 -9.034 47 HD2 LYS 6 2HD LYS 6 9.947 4.980 -11.227 48 HD3 LYS 6 3HD LYS 6 11.298 5.914 -10.578 49 HE2 LYS 6 2HE LYS 6 12.519 5.004 -12.210 50 HE3 LYS 6 3HE LYS 6 12.463 3.516 -11.267 51 HZ1 LYS 6 3HZ LYS 6 11.361 2.572 -12.919 52 HZ2 LYS 6 1HZ LYS 6 11.371 4.015 -13.802 53 HZ3 LYS 6 2HZ LYS 6 10.099 3.684 -12.738 54 H ARG 7 H ARG 7 9.019 5.959 -7.830 55 HA ARG 7 HA ARG 7 9.216 8.138 -9.511 56 HB2 ARG 7 2HB ARG 7 7.079 7.526 -7.462 57 HB3 ARG 7 3HB ARG 7 6.918 8.725 -8.739 58 HG2 ARG 7 2HG ARG 7 7.290 5.761 -9.114 59 HG3 ARG 7 3HG ARG 7 5.798 6.673 -9.354 60 HD2 ARG 7 2HD ARG 7 7.237 8.064 -11.018 61 HD3 ARG 7 3HD ARG 7 8.297 6.655 -10.996 62 HE ARG 7 HE ARG 7 5.641 5.835 -11.456 63 HH11 ARG 7 1HH1 ARG 7 8.273 7.491 -13.022 64 HH12 ARG 7 2HH1 ARG 7 7.785 7.029 -14.619 65 HH21 ARG 7 2HH2 ARG 7 5.916 5.738 -14.920 66 HH22 ARG 7 1HH2 ARG 7 4.988 5.221 -13.553 67 H LYS 8 H LYS 8 9.545 7.995 -6.044 68 HA LYS 8 HA LYS 8 9.971 10.912 -5.997 69 HB2 LYS 8 2HB LYS 8 9.080 9.151 -3.706 70 HB3 LYS 8 3HB LYS 8 9.285 10.897 -3.657 71 HG2 LYS 8 2HG LYS 8 7.142 11.081 -4.178 72 HG3 LYS 8 3HG LYS 8 7.536 10.441 -5.775 73 HD2 LYS 8 2HD LYS 8 5.783 9.091 -4.922 74 HD3 LYS 8 3HD LYS 8 7.260 8.135 -4.787 75 HE2 LYS 8 2HE LYS 8 6.034 7.876 -2.755 76 HE3 LYS 8 3HE LYS 8 7.437 8.887 -2.412 77 HZ1 LYS 8 3HZ LYS 8 6.089 10.814 -2.376 78 HZ2 LYS 8 1HZ LYS 8 5.296 9.663 -1.424 79 HZ3 LYS 8 2HZ LYS 8 4.746 9.989 -2.990 80 H CYS 9 H CYS 9 11.132 7.765 -4.987 81 HA CYS 9 HA CYS 9 13.645 9.035 -4.116 82 HB2 CYS 9 2HB CYS 9 12.592 6.376 -3.143 83 HB3 CYS 9 3HB CYS 9 13.965 7.279 -2.512 84 HG CYS 9 HG CYS 9 12.126 7.597 -0.563 85 HA PRO 10 HA PRO 10 14.491 6.382 -7.833 86 HB2 PRO 10 2HB PRO 10 16.078 8.208 -9.065 87 HB3 PRO 10 3HB PRO 10 14.320 8.183 -9.249 88 HG2 PRO 10 2HG PRO 10 16.016 9.902 -7.480 89 HG3 PRO 10 3HG PRO 10 14.617 10.354 -8.470 90 HD2 PRO 10 2HD PRO 10 14.439 9.941 -5.800 91 HD3 PRO 10 3HD PRO 10 13.105 9.577 -6.914 92 H LEU 11 H LEU 11 16.348 8.024 -5.439 93 HA LEU 11 HA LEU 11 18.883 6.888 -6.218 94 HB2 LEU 11 2HB LEU 11 18.317 9.092 -4.880 95 HB3 LEU 11 3HB LEU 11 18.403 8.000 -3.500 96 HG LEU 11 HG LEU 11 20.728 7.369 -4.560 97 HD11 LEU 11 1HD1 LEU 11 21.613 8.746 -6.081 98 HD12 LEU 11 2HD1 LEU 11 20.970 10.186 -5.292 99 HD13 LEU 11 3HD1 LEU 11 19.950 9.250 -6.384 100 HD21 LEU 11 3HD2 LEU 11 21.679 9.395 -3.265 101 HD22 LEU 11 1HD2 LEU 11 20.729 8.192 -2.391 102 HD23 LEU 11 2HD2 LEU 11 19.993 9.724 -2.863 103 H PHE 12 H PHE 12 16.240 6.055 -4.133 104 HA PHE 12 HA PHE 12 17.777 3.757 -3.114 105 HB2 PHE 12 2HB PHE 12 16.325 5.674 -1.694 106 HB3 PHE 12 3HB PHE 12 15.287 4.252 -1.708 107 HD1 PHE 12 HD1 PHE 12 18.300 5.749 -0.395 108 HD2 PHE 12 HD2 PHE 12 16.111 2.117 -0.760 109 HE1 PHE 12 HE1 PHE 12 19.632 4.767 1.426 110 HE2 PHE 12 HE2 PHE 12 17.439 1.129 1.060 111 HZ PHE 12 HZ PHE 12 19.202 2.455 2.156 112 H GLY 13 H GLY 13 16.331 4.006 -5.685 113 HA2 GLY 13 2HA GLY 13 14.148 2.074 -5.280 114 HA3 GLY 13 3HA GLY 13 14.373 3.073 -6.708 115 H LYS 14 H LYS 14 17.039 1.380 -5.234 116 HA LYS 14 HA LYS 14 17.247 -0.275 -7.647 117 HB2 LYS 14 2HB LYS 14 19.598 -0.645 -6.893 118 HB3 LYS 14 3HB LYS 14 19.213 1.039 -7.219 119 HG2 LYS 14 2HG LYS 14 19.848 1.609 -5.180 120 HG3 LYS 14 3HG LYS 14 18.684 0.487 -4.472 121 HD2 LYS 14 2HD LYS 14 20.666 -0.330 -3.630 122 HD3 LYS 14 3HD LYS 14 20.488 -1.306 -5.090 123 HE2 LYS 14 2HE LYS 14 21.818 1.030 -5.884 124 HE3 LYS 14 3HE LYS 14 22.570 0.543 -4.366 125 HZ1 LYS 14 3HZ LYS 14 23.615 -0.452 -6.348 126 HZ2 LYS 14 1HZ LYS 14 22.170 -1.263 -6.687 127 HZ3 LYS 14 2HZ LYS 14 23.022 -1.612 -5.269 128 H GLY 15 H GLY 15 16.841 -0.439 -4.193 129 HA2 GLY 15 2HA GLY 15 17.528 -3.144 -3.793 130 HA3 GLY 15 3HA GLY 15 16.460 -2.198 -2.768 131 H GLY 16 H GLY 16 14.261 -2.415 -2.959 132 HA2 GLY 16 2HA GLY 16 12.496 -3.115 -4.696 133 HA3 GLY 16 3HA GLY 16 13.388 -4.629 -4.695 Start of MODEL 3 1 H1 VAL 1 H VAL 1 3.714 -2.821 -3.351 2 HA VAL 1 HA VAL 1 1.929 -0.656 -2.784 3 HB VAL 1 HB VAL 1 4.100 -1.848 -1.054 4 HG11 VAL 1 1HG1 VAL 1 3.679 -0.110 0.277 5 HG12 VAL 1 2HG1 VAL 1 2.283 0.385 -0.681 6 HG13 VAL 1 3HG1 VAL 1 2.103 -0.844 0.571 7 HG21 VAL 1 3HG2 VAL 1 1.320 -2.656 -1.672 8 HG22 VAL 1 1HG2 VAL 1 2.718 -3.638 -1.235 9 HG23 VAL 1 2HG2 VAL 1 1.827 -2.768 0.013 10 H ALA 2 H ALA 2 5.330 -0.968 -3.494 11 HA ALA 2 HA ALA 2 5.705 1.909 -3.000 12 HB1 ALA 2 1HB ALA 2 7.725 -0.318 -3.196 13 HB2 ALA 2 2HB ALA 2 8.136 1.391 -3.046 14 HB3 ALA 2 3HB ALA 2 7.259 0.577 -1.749 15 H ARG 3 H ARG 3 4.354 1.781 -5.170 16 HA ARG 3 HA ARG 3 5.999 1.321 -7.510 17 HB2 ARG 3 2HB ARG 3 3.159 2.287 -7.168 18 HB3 ARG 3 3HB ARG 3 3.943 2.115 -8.733 19 HG2 ARG 3 2HG ARG 3 3.712 -0.113 -8.746 20 HG3 ARG 3 3HG ARG 3 4.082 -0.264 -7.027 21 HD2 ARG 3 2HD ARG 3 1.898 -0.791 -6.868 22 HD3 ARG 3 3HD ARG 3 1.682 0.959 -6.901 23 HE ARG 3 HE ARG 3 1.680 0.154 -9.534 24 HH11 ARG 3 1HH1 ARG 3 -0.197 -0.522 -6.681 25 HH12 ARG 3 2HH1 ARG 3 -1.658 -0.837 -7.558 26 HH21 ARG 3 2HH2 ARG 3 -1.679 -0.689 -9.844 27 HH22 ARG 3 1HH2 ARG 3 -0.236 -0.259 -10.700 28 H GLY 4 H GLY 4 4.944 3.985 -5.540 29 HA2 GLY 4 2HA GLY 4 6.079 5.889 -7.484 30 HA3 GLY 4 3HA GLY 4 4.938 6.304 -6.213 31 H TRP 5 H TRP 5 7.718 4.231 -5.712 32 HA TRP 5 HA TRP 5 8.693 6.064 -3.684 33 HB2 TRP 5 2HB TRP 5 8.591 3.349 -3.786 34 HB3 TRP 5 3HB TRP 5 10.257 3.633 -4.283 35 HD1 TRP 5 HD1 TRP 5 11.871 3.579 -2.312 36 HE1 TRP 5 HE1 TRP 5 11.760 4.156 0.194 37 HE3 TRP 5 HE3 TRP 5 7.021 5.177 -2.061 38 HZ2 TRP 5 HZ2 TRP 5 9.867 5.156 2.033 39 HZ3 TRP 5 HZ3 TRP 5 6.137 5.927 0.109 40 HH2 TRP 5 HH2 TRP 5 7.532 5.916 2.113 41 H LYS 6 H LYS 6 9.512 5.019 -6.895 42 HA LYS 6 HA LYS 6 12.194 6.066 -6.829 43 HB2 LYS 6 2HB LYS 6 10.554 5.321 -9.254 44 HB3 LYS 6 3HB LYS 6 12.304 5.460 -9.155 45 HG2 LYS 6 2HG LYS 6 12.466 3.327 -8.603 46 HG3 LYS 6 3HG LYS 6 11.431 3.587 -7.197 47 HD2 LYS 6 2HD LYS 6 9.509 3.499 -8.972 48 HD3 LYS 6 3HD LYS 6 10.713 2.646 -9.940 49 HE2 LYS 6 2HE LYS 6 10.554 1.689 -7.189 50 HE3 LYS 6 3HE LYS 6 9.039 1.513 -8.073 51 HZ1 LYS 6 3HZ LYS 6 10.863 0.645 -9.858 52 HZ2 LYS 6 1HZ LYS 6 9.961 -0.356 -8.834 53 HZ3 LYS 6 2HZ LYS 6 11.529 0.104 -8.400 54 H ARG 7 H ARG 7 9.031 7.250 -7.602 55 HA ARG 7 HA ARG 7 9.592 9.359 -9.309 56 HB2 ARG 7 2HB ARG 7 7.571 9.390 -7.062 57 HB3 ARG 7 3HB ARG 7 7.539 10.379 -8.516 58 HG2 ARG 7 2HG ARG 7 7.241 7.385 -8.397 59 HG3 ARG 7 3HG ARG 7 5.951 8.557 -8.676 60 HD2 ARG 7 2HD ARG 7 8.361 8.194 -10.451 61 HD3 ARG 7 3HD ARG 7 6.778 7.479 -10.751 62 HE ARG 7 HE ARG 7 6.564 10.284 -10.419 63 HH11 ARG 7 1HH1 ARG 7 7.591 7.851 -12.687 64 HH12 ARG 7 2HH1 ARG 7 7.290 8.836 -14.080 65 HH21 ARG 7 2HH2 ARG 7 6.480 10.964 -13.827 66 HH22 ARG 7 1HH2 ARG 7 6.165 11.592 -12.245 67 H LYS 8 H LYS 8 10.089 9.080 -5.858 68 HA LYS 8 HA LYS 8 11.198 11.810 -5.831 69 HB2 LYS 8 2HB LYS 8 10.042 10.200 -3.548 70 HB3 LYS 8 3HB LYS 8 10.783 11.787 -3.386 71 HG2 LYS 8 2HG LYS 8 8.831 12.734 -3.798 72 HG3 LYS 8 3HG LYS 8 8.799 11.978 -5.393 73 HD2 LYS 8 2HD LYS 8 6.936 10.978 -4.622 74 HD3 LYS 8 3HD LYS 8 8.071 9.893 -3.814 75 HE2 LYS 8 2HE LYS 8 6.924 12.399 -2.589 76 HE3 LYS 8 3HE LYS 8 6.291 10.775 -2.322 77 HZ1 LYS 8 3HZ LYS 8 7.679 10.904 -0.560 78 HZ2 LYS 8 1HZ LYS 8 8.722 12.013 -1.297 79 HZ3 LYS 8 2HZ LYS 8 8.817 10.371 -1.692 80 H CYS 9 H CYS 9 11.721 8.452 -5.012 81 HA CYS 9 HA CYS 9 14.504 9.108 -4.299 82 HB2 CYS 9 2HB CYS 9 12.553 7.223 -3.100 83 HB3 CYS 9 3HB CYS 9 14.214 6.657 -3.225 84 HG CYS 9 HG CYS 9 13.557 7.744 -0.640 85 HA PRO 10 HA PRO 10 14.513 6.611 -8.215 86 HB2 PRO 10 2HB PRO 10 16.361 8.153 -9.470 87 HB3 PRO 10 3HB PRO 10 14.629 8.504 -9.511 88 HG2 PRO 10 2HG PRO 10 16.767 9.707 -7.794 89 HG3 PRO 10 3HG PRO 10 15.429 10.506 -8.640 90 HD2 PRO 10 2HD PRO 10 15.352 9.950 -5.991 91 HD3 PRO 10 3HD PRO 10 13.898 9.948 -7.010 92 H LEU 11 H LEU 11 16.897 7.739 -5.963 93 HA LEU 11 HA LEU 11 19.047 6.130 -6.989 94 HB2 LEU 11 2HB LEU 11 18.656 7.719 -4.471 95 HB3 LEU 11 3HB LEU 11 20.090 6.730 -4.741 96 HG LEU 11 HG LEU 11 19.326 8.817 -6.742 97 HD11 LEU 11 1HD1 LEU 11 21.020 10.249 -5.367 98 HD12 LEU 11 2HD1 LEU 11 20.463 9.256 -4.020 99 HD13 LEU 11 3HD1 LEU 11 19.311 10.232 -4.932 100 HD21 LEU 11 3HD2 LEU 11 21.108 7.194 -7.240 101 HD22 LEU 11 1HD2 LEU 11 21.981 7.734 -5.806 102 HD23 LEU 11 2HD2 LEU 11 21.714 8.849 -7.147 103 H PHE 12 H PHE 12 16.459 5.731 -4.715 104 HA PHE 12 HA PHE 12 17.555 3.111 -3.934 105 HB2 PHE 12 2HB PHE 12 15.709 4.996 -2.471 106 HB3 PHE 12 3HB PHE 12 15.917 3.315 -1.991 107 HD1 PHE 12 HD1 PHE 12 17.694 6.524 -2.449 108 HD2 PHE 12 HD2 PHE 12 17.769 2.637 -0.718 109 HE1 PHE 12 HE1 PHE 12 19.676 7.152 -1.133 110 HE2 PHE 12 HE2 PHE 12 19.751 3.259 0.601 111 HZ PHE 12 HZ PHE 12 20.706 5.519 0.395 112 H GLY 13 H GLY 13 16.235 3.440 -6.392 113 HA2 GLY 13 2HA GLY 13 13.520 2.435 -5.982 114 HA3 GLY 13 3HA GLY 13 14.224 2.928 -7.515 115 H LYS 14 H LYS 14 15.830 0.762 -5.283 116 HA LYS 14 HA LYS 14 15.577 -1.375 -7.288 117 HB2 LYS 14 2HB LYS 14 17.571 -2.355 -6.064 118 HB3 LYS 14 3HB LYS 14 17.864 -0.864 -6.949 119 HG2 LYS 14 2HG LYS 14 18.531 0.180 -5.112 120 HG3 LYS 14 3HG LYS 14 17.079 -0.306 -4.234 121 HD2 LYS 14 2HD LYS 14 18.096 -2.463 -3.723 122 HD3 LYS 14 3HD LYS 14 19.538 -2.011 -4.636 123 HE2 LYS 14 2HE LYS 14 20.075 -0.289 -3.078 124 HE3 LYS 14 3HE LYS 14 18.519 -0.457 -2.266 125 HZ1 LYS 14 3HZ LYS 14 20.553 -2.613 -2.368 126 HZ2 LYS 14 1HZ LYS 14 19.150 -2.569 -1.424 127 HZ3 LYS 14 2HZ LYS 14 20.425 -1.509 -1.093 128 H GLY 15 H GLY 15 13.623 -0.662 -5.141 129 HA2 GLY 15 2HA GLY 15 13.767 -2.661 -3.115 130 HA3 GLY 15 3HA GLY 15 12.355 -1.696 -3.522 131 H GLY 16 H GLY 16 11.371 -2.353 -5.743 132 HA2 GLY 16 2HA GLY 16 10.805 -4.102 -7.252 133 HA3 GLY 16 3HA GLY 16 11.530 -5.256 -6.142 Start of MODEL 4 1 H1 VAL 1 H VAL 1 5.104 -3.748 -4.129 2 HA VAL 1 HA VAL 1 3.330 -2.001 -2.859 3 HB VAL 1 HB VAL 1 5.984 -2.968 -1.787 4 HG11 VAL 1 1HG1 VAL 1 3.526 -1.837 -0.477 5 HG12 VAL 1 2HG1 VAL 1 4.733 -2.771 0.409 6 HG13 VAL 1 3HG1 VAL 1 5.187 -1.256 -0.372 7 HG21 VAL 1 3HG2 VAL 1 3.320 -4.285 -2.058 8 HG22 VAL 1 1HG2 VAL 1 4.935 -4.950 -2.302 9 HG23 VAL 1 2HG2 VAL 1 4.335 -4.666 -0.668 10 H ALA 2 H ALA 2 6.531 -1.481 -4.157 11 HA ALA 2 HA ALA 2 6.545 1.257 -3.091 12 HB1 ALA 2 1HB ALA 2 8.966 1.170 -4.002 13 HB2 ALA 2 2HB ALA 2 8.575 0.299 -2.519 14 HB3 ALA 2 3HB ALA 2 8.710 -0.574 -4.045 15 H ARG 3 H ARG 3 4.746 0.815 -5.124 16 HA ARG 3 HA ARG 3 5.814 1.351 -7.704 17 HB2 ARG 3 2HB ARG 3 3.672 0.309 -7.580 18 HB3 ARG 3 3HB ARG 3 3.037 1.587 -6.552 19 HG2 ARG 3 2HG ARG 3 4.004 2.647 -9.055 20 HG3 ARG 3 3HG ARG 3 2.801 1.380 -9.309 21 HD2 ARG 3 2HD ARG 3 1.130 2.646 -8.510 22 HD3 ARG 3 3HD ARG 3 2.112 3.267 -7.184 23 HE ARG 3 HE ARG 3 2.626 5.103 -8.460 24 HH11 ARG 3 1HH1 ARG 3 1.188 2.655 -10.475 25 HH12 ARG 3 2HH1 ARG 3 1.034 3.694 -11.853 26 HH21 ARG 3 2HH2 ARG 3 1.741 5.870 -11.733 27 HH22 ARG 3 1HH2 ARG 3 2.429 6.481 -10.267 28 H GLY 4 H GLY 4 4.712 3.350 -5.048 29 HA2 GLY 4 2HA GLY 4 5.243 5.750 -6.683 30 HA3 GLY 4 3HA GLY 4 4.158 5.710 -5.301 31 H TRP 5 H TRP 5 7.344 4.225 -5.415 32 HA TRP 5 HA TRP 5 8.207 6.126 -3.337 33 HB2 TRP 5 2HB TRP 5 7.979 3.526 -2.928 34 HB3 TRP 5 3HB TRP 5 9.553 3.483 -3.719 35 HD1 TRP 5 HD1 TRP 5 11.423 3.422 -1.990 36 HE1 TRP 5 HE1 TRP 5 11.841 4.457 0.329 37 HE3 TRP 5 HE3 TRP 5 7.023 5.964 -1.430 38 HZ2 TRP 5 HZ2 TRP 5 10.485 6.129 2.155 39 HZ3 TRP 5 HZ3 TRP 5 6.662 7.257 0.632 40 HH2 TRP 5 HH2 TRP 5 8.358 7.336 2.386 41 H LYS 6 H LYS 6 9.042 4.577 -6.353 42 HA LYS 6 HA LYS 6 11.729 5.592 -6.426 43 HB2 LYS 6 2HB LYS 6 11.672 4.794 -8.797 44 HB3 LYS 6 3HB LYS 6 11.281 3.557 -7.610 45 HG2 LYS 6 2HG LYS 6 8.833 4.694 -8.296 46 HG3 LYS 6 3HG LYS 6 9.718 4.547 -9.816 47 HD2 LYS 6 2HD LYS 6 10.261 2.146 -8.738 48 HD3 LYS 6 3HD LYS 6 8.686 2.452 -8.003 49 HE2 LYS 6 2HE LYS 6 7.810 2.942 -10.295 50 HE3 LYS 6 3HE LYS 6 9.359 2.403 -10.940 51 HZ1 LYS 6 3HZ LYS 6 8.116 0.499 -11.057 52 HZ2 LYS 6 1HZ LYS 6 7.240 0.832 -9.648 53 HZ3 LYS 6 2HZ LYS 6 8.840 0.296 -9.541 54 H ARG 7 H ARG 7 8.591 6.677 -7.462 55 HA ARG 7 HA ARG 7 9.225 8.523 -9.419 56 HB2 ARG 7 2HB ARG 7 6.951 7.834 -8.031 57 HB3 ARG 7 3HB ARG 7 7.219 9.493 -7.517 58 HG2 ARG 7 2HG ARG 7 5.749 9.447 -9.425 59 HG3 ARG 7 3HG ARG 7 7.285 10.194 -9.871 60 HD2 ARG 7 2HD ARG 7 7.749 8.599 -11.371 61 HD3 ARG 7 3HD ARG 7 7.244 7.308 -10.282 62 HE ARG 7 HE ARG 7 5.061 8.800 -11.414 63 HH11 ARG 7 1HH1 ARG 7 7.245 6.126 -11.856 64 HH12 ARG 7 2HH1 ARG 7 6.195 5.278 -12.942 65 HH21 ARG 7 2HH2 ARG 7 4.162 6.171 -13.504 66 HH22 ARG 7 1HH2 ARG 7 3.669 7.694 -12.843 67 H LYS 8 H LYS 8 9.627 8.735 -5.950 68 HA LYS 8 HA LYS 8 10.744 11.443 -6.272 69 HB2 LYS 8 2HB LYS 8 9.551 10.118 -3.831 70 HB3 LYS 8 3HB LYS 8 10.337 11.691 -3.821 71 HG2 LYS 8 2HG LYS 8 8.545 12.726 -4.663 72 HG3 LYS 8 3HG LYS 8 8.223 11.436 -5.824 73 HD2 LYS 8 2HD LYS 8 6.371 11.399 -4.394 74 HD3 LYS 8 3HD LYS 8 7.396 10.086 -3.808 75 HE2 LYS 8 2HE LYS 8 8.118 11.334 -1.956 76 HE3 LYS 8 3HE LYS 8 7.558 12.853 -2.653 77 HZ1 LYS 8 3HZ LYS 8 6.207 11.429 -0.825 78 HZ2 LYS 8 1HZ LYS 8 5.489 10.877 -2.254 79 HZ3 LYS 8 2HZ LYS 8 5.492 12.529 -1.894 80 H CYS 9 H CYS 9 11.294 8.214 -5.061 81 HA CYS 9 HA CYS 9 14.068 8.976 -4.421 82 HB2 CYS 9 2HB CYS 9 12.537 6.672 -3.204 83 HB3 CYS 9 3HB CYS 9 14.124 7.266 -2.727 84 HG CYS 9 HG CYS 9 12.599 9.892 -2.259 85 HA PRO 10 HA PRO 10 14.092 5.990 -7.980 86 HB2 PRO 10 2HB PRO 10 15.921 7.373 -9.434 87 HB3 PRO 10 3HB PRO 10 14.186 7.698 -9.514 88 HG2 PRO 10 2HG PRO 10 16.314 9.137 -7.977 89 HG3 PRO 10 3HG PRO 10 14.967 9.805 -8.916 90 HD2 PRO 10 2HD PRO 10 14.901 9.600 -6.216 91 HD3 PRO 10 3HD PRO 10 13.445 9.451 -7.221 92 H LEU 11 H LEU 11 16.549 7.514 -6.018 93 HA LEU 11 HA LEU 11 18.675 5.764 -6.796 94 HB2 LEU 11 2HB LEU 11 18.987 8.054 -5.866 95 HB3 LEU 11 3HB LEU 11 18.442 7.445 -4.305 96 HG LEU 11 HG LEU 11 20.389 5.882 -4.317 97 HD11 LEU 11 1HD1 LEU 11 20.672 6.988 -6.982 98 HD12 LEU 11 2HD1 LEU 11 21.399 5.548 -6.271 99 HD13 LEU 11 3HD1 LEU 11 22.156 7.123 -6.038 100 HD21 LEU 11 3HD2 LEU 11 20.861 7.635 -2.952 101 HD22 LEU 11 1HD2 LEU 11 20.574 8.838 -4.209 102 HD23 LEU 11 2HD2 LEU 11 22.085 7.929 -4.188 103 H PHE 12 H PHE 12 16.212 5.766 -4.314 104 HA PHE 12 HA PHE 12 17.311 3.254 -3.242 105 HB2 PHE 12 2HB PHE 12 16.589 5.518 -1.869 106 HB3 PHE 12 3HB PHE 12 15.140 4.527 -1.728 107 HD1 PHE 12 HD1 PHE 12 15.967 1.871 -1.369 108 HD2 PHE 12 HD2 PHE 12 17.872 5.415 0.020 109 HE1 PHE 12 HE1 PHE 12 17.020 0.589 0.448 110 HE2 PHE 12 HE2 PHE 12 18.928 4.139 1.839 111 HZ PHE 12 HZ PHE 12 18.503 1.722 2.055 112 H GLY 13 H GLY 13 15.749 3.467 -5.685 113 HA2 GLY 13 2HA GLY 13 13.268 2.097 -4.861 114 HA3 GLY 13 3HA GLY 13 13.473 2.962 -6.377 115 H LYS 14 H LYS 14 16.007 0.913 -5.179 116 HA LYS 14 HA LYS 14 15.510 -0.921 -7.417 117 HB2 LYS 14 2HB LYS 14 17.834 -1.496 -7.321 118 HB3 LYS 14 3HB LYS 14 17.716 0.258 -7.274 119 HG2 LYS 14 2HG LYS 14 17.758 -0.197 -4.658 120 HG3 LYS 14 3HG LYS 14 18.617 -1.644 -5.192 121 HD2 LYS 14 2HD LYS 14 19.554 0.739 -6.554 122 HD3 LYS 14 3HD LYS 14 19.702 0.881 -4.801 123 HE2 LYS 14 2HE LYS 14 20.661 -1.581 -5.073 124 HE3 LYS 14 3HE LYS 14 21.043 -0.983 -6.686 125 HZ1 LYS 14 3HZ LYS 14 22.651 -0.673 -4.603 126 HZ2 LYS 14 1HZ LYS 14 21.757 0.757 -4.469 127 HZ3 LYS 14 2HZ LYS 14 22.601 0.418 -5.895 128 H GLY 15 H GLY 15 15.786 -0.751 -3.948 129 HA2 GLY 15 2HA GLY 15 15.524 -3.681 -3.772 130 HA3 GLY 15 3HA GLY 15 16.078 -2.635 -2.473 131 H GLY 16 H GLY 16 14.619 -1.754 -1.079 132 HA2 GLY 16 2HA GLY 16 11.987 -2.911 -1.068 133 HA3 GLY 16 3HA GLY 16 12.646 -1.805 0.128 Start of MODEL 5 1 H1 VAL 1 H VAL 1 4.883 -1.139 -2.119 2 HA VAL 1 HA VAL 1 5.194 0.341 -0.322 3 HB VAL 1 HB VAL 1 7.385 -1.541 0.568 4 HG11 VAL 1 1HG1 VAL 1 6.770 -0.050 2.734 5 HG12 VAL 1 2HG1 VAL 1 8.083 0.328 1.617 6 HG13 VAL 1 3HG1 VAL 1 6.522 1.132 1.449 7 HG21 VAL 1 3HG2 VAL 1 5.585 -2.776 1.166 8 HG22 VAL 1 1HG2 VAL 1 5.545 -1.649 2.522 9 HG23 VAL 1 2HG2 VAL 1 4.489 -1.394 1.132 10 H ALA 2 H ALA 2 7.635 -1.038 -2.358 11 HA ALA 2 HA ALA 2 9.101 1.518 -2.348 12 HB1 ALA 2 1HB ALA 2 10.898 0.030 -3.500 13 HB2 ALA 2 2HB ALA 2 10.685 -0.049 -1.750 14 HB3 ALA 2 3HB ALA 2 9.990 -1.300 -2.780 15 H ARG 3 H ARG 3 6.777 1.463 -3.789 16 HA ARG 3 HA ARG 3 7.709 1.236 -6.576 17 HB2 ARG 3 2HB ARG 3 4.885 1.033 -5.515 18 HB3 ARG 3 3HB ARG 3 5.344 0.954 -7.210 19 HG2 ARG 3 2HG ARG 3 5.755 -1.215 -7.057 20 HG3 ARG 3 3HG ARG 3 6.844 -0.963 -5.692 21 HD2 ARG 3 2HD ARG 3 5.227 -2.309 -4.753 22 HD3 ARG 3 3HD ARG 3 4.638 -0.701 -4.335 23 HE ARG 3 HE ARG 3 3.395 -1.204 -6.675 24 HH11 ARG 3 1HH1 ARG 3 3.707 -3.015 -3.718 25 HH12 ARG 3 2HH1 ARG 3 2.176 -3.807 -3.889 26 HH21 ARG 3 2HH2 ARG 3 0.852 -3.367 -5.706 27 HH22 ARG 3 1HH2 ARG 3 1.377 -2.241 -6.911 28 H GLY 4 H GLY 4 6.286 3.263 -4.147 29 HA2 GLY 4 2HA GLY 4 5.415 5.326 -5.944 30 HA3 GLY 4 3HA GLY 4 5.533 5.447 -4.195 31 H TRP 5 H TRP 5 8.424 4.479 -4.515 32 HA TRP 5 HA TRP 5 9.519 7.139 -5.121 33 HB2 TRP 5 2HB TRP 5 10.881 4.948 -3.552 34 HB3 TRP 5 3HB TRP 5 11.318 6.653 -3.628 35 HD1 TRP 5 HD1 TRP 5 10.102 4.523 -1.150 36 HE1 TRP 5 HE1 TRP 5 8.458 5.651 0.478 37 HE3 TRP 5 HE3 TRP 5 8.875 8.623 -3.947 38 HZ2 TRP 5 HZ2 TRP 5 6.853 7.971 0.565 39 HZ3 TRP 5 HZ3 TRP 5 7.277 10.249 -3.018 40 HH2 TRP 5 HH2 TRP 5 6.288 9.927 -0.810 41 H LYS 6 H LYS 6 8.908 5.097 -7.125 42 HA LYS 6 HA LYS 6 11.398 3.938 -7.963 43 HB2 LYS 6 2HB LYS 6 10.133 3.298 -9.997 44 HB3 LYS 6 3HB LYS 6 9.333 2.805 -8.511 45 HG2 LYS 6 2HG LYS 6 7.507 3.714 -9.400 46 HG3 LYS 6 3HG LYS 6 8.232 5.265 -8.972 47 HD2 LYS 6 2HD LYS 6 8.098 5.771 -11.144 48 HD3 LYS 6 3HD LYS 6 9.428 4.635 -11.381 49 HE2 LYS 6 2HE LYS 6 7.798 3.939 -12.905 50 HE3 LYS 6 3HE LYS 6 7.616 2.835 -11.542 51 HZ1 LYS 6 3HZ LYS 6 5.918 5.185 -12.176 52 HZ2 LYS 6 1HZ LYS 6 5.803 4.300 -10.739 53 HZ3 LYS 6 2HZ LYS 6 5.465 3.556 -12.220 54 H ARG 7 H ARG 7 9.709 6.912 -8.515 55 HA ARG 7 HA ARG 7 11.698 7.656 -10.558 56 HB2 ARG 7 2HB ARG 7 8.806 8.292 -10.245 57 HB3 ARG 7 3HB ARG 7 9.846 9.540 -10.918 58 HG2 ARG 7 2HG ARG 7 10.314 8.322 -12.814 59 HG3 ARG 7 3HG ARG 7 9.952 6.779 -12.037 60 HD2 ARG 7 2HD ARG 7 7.895 6.853 -12.865 61 HD3 ARG 7 3HD ARG 7 7.594 8.341 -11.968 62 HE ARG 7 HE ARG 7 8.162 8.090 -14.781 63 HH11 ARG 7 1HH1 ARG 7 8.183 10.204 -12.014 64 HH12 ARG 7 2HH1 ARG 7 8.106 11.655 -12.959 65 HH21 ARG 7 2HH2 ARG 7 8.035 11.534 -15.245 66 HH22 ARG 7 1HH2 ARG 7 8.060 9.993 -16.035 67 H LYS 8 H LYS 8 10.087 8.595 -7.592 68 HA LYS 8 HA LYS 8 11.378 11.160 -7.429 69 HB2 LYS 8 2HB LYS 8 9.710 9.539 -5.515 70 HB3 LYS 8 3HB LYS 8 10.472 11.048 -5.031 71 HG2 LYS 8 2HG LYS 8 8.500 10.729 -7.284 72 HG3 LYS 8 3HG LYS 8 8.139 11.366 -5.678 73 HD2 LYS 8 2HD LYS 8 10.183 12.968 -6.329 74 HD3 LYS 8 3HD LYS 8 9.572 12.618 -7.948 75 HE2 LYS 8 2HE LYS 8 7.904 13.653 -5.658 76 HE3 LYS 8 3HE LYS 8 8.580 14.653 -6.942 77 HZ1 LYS 8 3HZ LYS 8 6.983 14.037 -8.348 78 HZ2 LYS 8 1HZ LYS 8 6.147 13.467 -6.991 79 HZ3 LYS 8 2HZ LYS 8 7.082 12.404 -7.917 80 H CYS 9 H CYS 9 11.472 8.537 -5.031 81 HA CYS 9 HA CYS 9 14.352 9.067 -4.710 82 HB2 CYS 9 2HB CYS 9 12.322 8.105 -2.686 83 HB3 CYS 9 3HB CYS 9 14.053 8.186 -2.386 84 HG CYS 9 HG CYS 9 12.519 10.337 -1.194 85 HA PRO 10 HA PRO 10 13.918 4.744 -6.341 86 HB2 PRO 10 2HB PRO 10 15.967 4.958 -8.109 87 HB3 PRO 10 3HB PRO 10 14.312 5.443 -8.494 88 HG2 PRO 10 2HG PRO 10 16.636 7.136 -7.659 89 HG3 PRO 10 3HG PRO 10 15.429 7.437 -8.923 90 HD2 PRO 10 2HD PRO 10 15.303 8.599 -6.480 91 HD3 PRO 10 3HD PRO 10 13.852 8.182 -7.415 92 H LEU 11 H LEU 11 16.394 6.650 -4.898 93 HA LEU 11 HA LEU 11 18.539 4.906 -4.755 94 HB2 LEU 11 2HB LEU 11 19.155 6.087 -2.682 95 HB3 LEU 11 3HB LEU 11 18.722 7.176 -3.998 96 HG LEU 11 HG LEU 11 16.348 6.903 -2.647 97 HD11 LEU 11 1HD1 LEU 11 17.323 5.710 -0.810 98 HD12 LEU 11 2HD1 LEU 11 16.942 7.346 -0.277 99 HD13 LEU 11 3HD1 LEU 11 18.608 6.908 -0.654 100 HD21 LEU 11 3HD2 LEU 11 17.527 9.137 -1.534 101 HD22 LEU 11 1HD2 LEU 11 16.655 9.071 -3.065 102 HD23 LEU 11 2HD2 LEU 11 18.411 8.910 -3.043 103 H PHE 12 H PHE 12 15.542 4.910 -2.951 104 HA PHE 12 HA PHE 12 16.441 2.488 -1.535 105 HB2 PHE 12 2HB PHE 12 15.486 4.844 -0.428 106 HB3 PHE 12 3HB PHE 12 14.082 3.782 -0.408 107 HD1 PHE 12 HD1 PHE 12 16.259 4.960 1.741 108 HD2 PHE 12 HD2 PHE 12 15.243 1.168 0.097 109 HE1 PHE 12 HE1 PHE 12 17.131 3.856 3.759 110 HE2 PHE 12 HE2 PHE 12 16.113 0.057 2.113 111 HZ PHE 12 HZ PHE 12 17.057 1.401 3.947 112 H GLY 13 H GLY 13 14.026 3.941 -3.556 113 HA2 GLY 13 2HA GLY 13 12.241 1.643 -3.316 114 HA3 GLY 13 3HA GLY 13 11.929 3.112 -4.228 115 H LYS 14 H LYS 14 15.004 1.651 -4.666 116 HA LYS 14 HA LYS 14 14.790 1.383 -7.412 117 HB2 LYS 14 2HB LYS 14 16.754 -0.171 -7.213 118 HB3 LYS 14 3HB LYS 14 16.952 1.373 -6.396 119 HG2 LYS 14 2HG LYS 14 17.475 0.282 -4.546 120 HG3 LYS 14 3HG LYS 14 15.841 -0.382 -4.505 121 HD2 LYS 14 2HD LYS 14 16.881 -2.369 -4.645 122 HD3 LYS 14 3HD LYS 14 17.027 -1.981 -6.361 123 HE2 LYS 14 2HE LYS 14 19.121 -0.917 -4.559 124 HE3 LYS 14 3HE LYS 14 19.117 -2.658 -4.834 125 HZ1 LYS 14 3HZ LYS 14 19.358 -2.335 -7.151 126 HZ2 LYS 14 1HZ LYS 14 20.504 -1.333 -6.411 127 HZ3 LYS 14 2HZ LYS 14 19.078 -0.671 -7.033 128 H GLY 15 H GLY 15 13.825 -0.823 -4.881 129 HA2 GLY 15 2HA GLY 15 13.632 -3.217 -6.266 130 HA3 GLY 15 3HA GLY 15 12.567 -2.743 -4.951 131 H GLY 16 H GLY 16 11.608 -0.384 -6.494 132 HA2 GLY 16 2HA GLY 16 10.043 -1.773 -8.571 133 HA3 GLY 16 3HA GLY 16 9.235 -0.808 -7.346 Start of MODEL 6 1 H1 VAL 1 H VAL 1 0.632 1.883 -0.122 2 HA VAL 1 HA VAL 1 2.400 -0.433 -0.568 3 HB VAL 1 HB VAL 1 0.787 1.025 -2.662 4 HG11 VAL 1 1HG1 VAL 1 2.534 -0.033 -3.766 5 HG12 VAL 1 2HG1 VAL 1 2.529 -1.411 -2.663 6 HG13 VAL 1 3HG1 VAL 1 1.237 -1.225 -3.849 7 HG21 VAL 1 3HG2 VAL 1 -0.684 -0.983 -2.615 8 HG22 VAL 1 1HG2 VAL 1 0.158 -1.511 -1.158 9 HG23 VAL 1 2HG2 VAL 1 -0.765 -0.009 -1.147 10 H ALA 2 H ALA 2 4.265 -0.171 -1.815 11 HA ALA 2 HA ALA 2 5.280 2.575 -1.873 12 HB1 ALA 2 1HB ALA 2 7.463 1.665 -1.881 13 HB2 ALA 2 2HB ALA 2 6.539 0.724 -0.709 14 HB3 ALA 2 3HB ALA 2 6.871 0.060 -2.308 15 H ARG 3 H ARG 3 3.452 2.129 -3.847 16 HA ARG 3 HA ARG 3 4.397 1.126 -6.271 17 HB2 ARG 3 2HB ARG 3 2.707 2.719 -7.296 18 HB3 ARG 3 3HB ARG 3 2.083 1.587 -6.104 19 HG2 ARG 3 2HG ARG 3 1.908 3.268 -4.455 20 HG3 ARG 3 3HG ARG 3 2.862 4.403 -5.413 21 HD2 ARG 3 2HD ARG 3 1.099 4.537 -7.067 22 HD3 ARG 3 3HD ARG 3 0.162 3.318 -6.205 23 HE ARG 3 HE ARG 3 0.524 5.270 -4.356 24 HH11 ARG 3 1HH1 ARG 3 -0.708 5.225 -7.612 25 HH12 ARG 3 2HH1 ARG 3 -1.793 6.551 -7.359 26 HH21 ARG 3 2HH2 ARG 3 -1.902 7.570 -5.310 27 HH22 ARG 3 1HH2 ARG 3 -0.901 7.017 -4.010 28 H GLY 4 H GLY 4 4.941 4.204 -4.699 29 HA2 GLY 4 2HA GLY 4 6.530 5.076 -7.030 30 HA3 GLY 4 3HA GLY 4 5.792 6.167 -5.866 31 H TRP 5 H TRP 5 7.830 3.266 -5.514 32 HA TRP 5 HA TRP 5 9.310 4.434 -3.373 33 HB2 TRP 5 2HB TRP 5 8.863 1.878 -4.177 34 HB3 TRP 5 3HB TRP 5 10.498 2.127 -4.785 35 HD1 TRP 5 HD1 TRP 5 11.265 4.084 -2.203 36 HE1 TRP 5 HE1 TRP 5 11.856 2.899 0.004 37 HE3 TRP 5 HE3 TRP 5 9.101 -0.457 -3.115 38 HZ2 TRP 5 HZ2 TRP 5 11.459 0.374 1.200 39 HZ3 TRP 5 HZ3 TRP 5 9.253 -2.204 -1.388 40 HH2 TRP 5 HH2 TRP 5 10.408 -1.795 0.724 41 H LYS 6 H LYS 6 9.754 4.169 -6.823 42 HA LYS 6 HA LYS 6 12.344 5.552 -6.563 43 HB2 LYS 6 2HB LYS 6 12.976 4.594 -8.713 44 HB3 LYS 6 3HB LYS 6 12.546 3.321 -7.577 45 HG2 LYS 6 2HG LYS 6 10.230 4.126 -9.063 46 HG3 LYS 6 3HG LYS 6 11.552 3.724 -10.162 47 HD2 LYS 6 2HD LYS 6 11.848 1.603 -8.802 48 HD3 LYS 6 3HD LYS 6 10.305 1.993 -8.037 49 HE2 LYS 6 2HE LYS 6 9.690 2.264 -10.674 50 HE3 LYS 6 3HE LYS 6 10.882 0.966 -10.727 51 HZ1 LYS 6 3HZ LYS 6 8.214 0.736 -10.090 52 HZ2 LYS 6 1HZ LYS 6 9.027 0.554 -8.618 53 HZ3 LYS 6 2HZ LYS 6 9.403 -0.455 -9.923 54 H ARG 7 H ARG 7 9.145 5.693 -7.767 55 HA ARG 7 HA ARG 7 9.318 7.367 -9.953 56 HB2 ARG 7 2HB ARG 7 7.280 6.400 -8.329 57 HB3 ARG 7 3HB ARG 7 7.153 8.147 -8.172 58 HG2 ARG 7 2HG ARG 7 5.729 7.412 -9.952 59 HG3 ARG 7 3HG ARG 7 7.077 8.323 -10.636 60 HD2 ARG 7 2HD ARG 7 7.985 5.705 -10.578 61 HD3 ARG 7 3HD ARG 7 6.294 5.562 -11.057 62 HE ARG 7 HE ARG 7 8.433 6.555 -12.642 63 HH11 ARG 7 1HH1 ARG 7 5.038 6.971 -11.989 64 HH12 ARG 7 2HH1 ARG 7 4.679 7.596 -13.564 65 HH21 ARG 7 2HH2 ARG 7 6.348 7.825 -15.117 66 HH22 ARG 7 1HH2 ARG 7 7.972 7.376 -14.719 67 H LYS 8 H LYS 8 9.746 8.109 -6.570 68 HA LYS 8 HA LYS 8 10.242 10.925 -7.288 69 HB2 LYS 8 2HB LYS 8 9.414 9.861 -4.582 70 HB3 LYS 8 3HB LYS 8 9.605 11.550 -5.033 71 HG2 LYS 8 2HG LYS 8 7.461 11.604 -5.567 72 HG3 LYS 8 3HG LYS 8 7.786 10.455 -6.868 73 HD2 LYS 8 2HD LYS 8 6.345 9.124 -5.779 74 HD3 LYS 8 3HD LYS 8 7.695 8.819 -4.684 75 HE2 LYS 8 2HE LYS 8 5.831 11.130 -4.255 76 HE3 LYS 8 3HE LYS 8 5.429 9.513 -3.678 77 HZ1 LYS 8 3HZ LYS 8 6.536 10.899 -1.993 78 HZ2 LYS 8 1HZ LYS 8 7.913 10.979 -2.974 79 HZ3 LYS 8 2HZ LYS 8 7.407 9.492 -2.346 80 H CYS 9 H CYS 9 11.238 8.274 -5.148 81 HA CYS 9 HA CYS 9 13.910 9.511 -5.012 82 HB2 CYS 9 2HB CYS 9 14.134 8.243 -2.821 83 HB3 CYS 9 3HB CYS 9 13.026 9.610 -2.814 84 HG CYS 9 HG CYS 9 10.726 8.171 -2.755 85 HA PRO 10 HA PRO 10 14.245 5.412 -7.165 86 HB2 PRO 10 2HB PRO 10 15.899 6.312 -9.121 87 HB3 PRO 10 3HB PRO 10 14.137 6.408 -9.233 88 HG2 PRO 10 2HG PRO 10 16.105 8.527 -8.459 89 HG3 PRO 10 3HG PRO 10 14.685 8.651 -9.513 90 HD2 PRO 10 2HD PRO 10 14.663 9.483 -6.937 91 HD3 PRO 10 3HD PRO 10 13.225 8.818 -7.738 92 H LEU 11 H LEU 11 16.447 7.748 -5.871 93 HA LEU 11 HA LEU 11 18.900 6.494 -6.203 94 HB2 LEU 11 2HB LEU 11 18.811 8.702 -5.326 95 HB3 LEU 11 3HB LEU 11 17.831 8.185 -3.956 96 HG LEU 11 HG LEU 11 19.834 6.852 -3.184 97 HD11 LEU 11 1HD1 LEU 11 22.025 7.707 -4.057 98 HD12 LEU 11 2HD1 LEU 11 21.129 8.442 -5.386 99 HD13 LEU 11 3HD1 LEU 11 21.115 6.691 -5.176 100 HD21 LEU 11 3HD2 LEU 11 20.314 9.819 -3.368 101 HD22 LEU 11 1HD2 LEU 11 20.824 8.714 -2.092 102 HD23 LEU 11 2HD2 LEU 11 19.114 9.092 -2.298 103 H PHE 12 H PHE 12 16.269 5.735 -4.053 104 HA PHE 12 HA PHE 12 17.904 3.721 -2.684 105 HB2 PHE 12 2HB PHE 12 16.515 5.353 -1.348 106 HB3 PHE 12 3HB PHE 12 15.084 4.567 -2.008 107 HD1 PHE 12 HD1 PHE 12 18.292 3.152 -0.752 108 HD2 PHE 12 HD2 PHE 12 14.071 3.431 -0.278 109 HE1 PHE 12 HE1 PHE 12 18.387 1.478 1.048 110 HE2 PHE 12 HE2 PHE 12 14.160 1.758 1.524 111 HZ PHE 12 HZ PHE 12 16.319 0.780 2.190 112 H GLY 13 H GLY 13 15.170 4.118 -4.821 113 HA2 GLY 13 2HA GLY 13 14.125 1.500 -4.643 114 HA3 GLY 13 3HA GLY 13 13.895 2.607 -5.988 115 H LYS 14 H LYS 14 16.940 2.735 -6.196 116 HA LYS 14 HA LYS 14 17.287 1.016 -8.330 117 HB2 LYS 14 2HB LYS 14 19.717 1.363 -8.011 118 HB3 LYS 14 3HB LYS 14 18.801 2.862 -7.927 119 HG2 LYS 14 2HG LYS 14 19.966 3.253 -6.069 120 HG3 LYS 14 3HG LYS 14 18.874 2.094 -5.308 121 HD2 LYS 14 2HD LYS 14 20.451 0.462 -5.219 122 HD3 LYS 14 3HD LYS 14 21.225 0.979 -6.719 123 HE2 LYS 14 2HE LYS 14 22.548 2.522 -5.662 124 HE3 LYS 14 3HE LYS 14 21.402 2.763 -4.344 125 HZ1 LYS 14 3HZ LYS 14 22.359 1.171 -3.136 126 HZ2 LYS 14 1HZ LYS 14 23.669 1.293 -4.201 127 HZ3 LYS 14 2HZ LYS 14 22.490 0.105 -4.444 128 H GLY 15 H GLY 15 17.615 0.391 -4.912 129 HA2 GLY 15 2HA GLY 15 19.017 -2.092 -5.206 130 HA3 GLY 15 3HA GLY 15 18.242 -1.500 -3.745 131 H GLY 16 H GLY 16 15.631 -1.162 -4.941 132 HA2 GLY 16 2HA GLY 16 14.768 -3.928 -4.746 133 HA3 GLY 16 3HA GLY 16 13.731 -2.510 -4.779 Start of MODEL 7 1 H1 VAL 1 H VAL 1 1.845 -1.816 -4.558 2 HA VAL 1 HA VAL 1 1.423 -0.068 -3.105 3 HB VAL 1 HB VAL 1 2.586 -0.446 -0.896 4 HG11 VAL 1 1HG1 VAL 1 1.690 -3.059 -1.096 5 HG12 VAL 1 2HG1 VAL 1 0.720 -1.645 -0.676 6 HG13 VAL 1 3HG1 VAL 1 0.793 -2.201 -2.349 7 HG21 VAL 1 3HG2 VAL 1 4.673 -1.365 -1.928 8 HG22 VAL 1 1HG2 VAL 1 4.012 -2.343 -0.617 9 HG23 VAL 1 2HG2 VAL 1 3.775 -2.838 -2.293 10 H ALA 2 H ALA 2 4.762 -0.483 -4.002 11 HA ALA 2 HA ALA 2 5.304 2.309 -3.229 12 HB1 ALA 2 1HB ALA 2 7.521 0.422 -3.846 13 HB2 ALA 2 2HB ALA 2 7.474 1.784 -2.726 14 HB3 ALA 2 3HB ALA 2 6.681 0.267 -2.302 15 H ARG 3 H ARG 3 3.931 2.099 -5.512 16 HA ARG 3 HA ARG 3 5.622 1.816 -7.813 17 HB2 ARG 3 2HB ARG 3 2.843 2.972 -7.528 18 HB3 ARG 3 3HB ARG 3 3.653 2.665 -9.058 19 HG2 ARG 3 2HG ARG 3 3.173 0.486 -9.009 20 HG3 ARG 3 3HG ARG 3 3.564 0.342 -7.294 21 HD2 ARG 3 2HD ARG 3 1.309 1.717 -7.054 22 HD3 ARG 3 3HD ARG 3 0.978 0.968 -8.615 23 HE ARG 3 HE ARG 3 1.823 -1.078 -6.993 24 HH11 ARG 3 1HH1 ARG 3 -0.739 1.279 -6.928 25 HH12 ARG 3 2HH1 ARG 3 -1.831 0.259 -6.051 26 HH21 ARG 3 2HH2 ARG 3 -1.186 -1.850 -5.431 27 HH22 ARG 3 1HH2 ARG 3 0.394 -2.430 -5.838 28 H GLY 4 H GLY 4 4.627 4.420 -5.727 29 HA2 GLY 4 2HA GLY 4 5.976 6.344 -7.515 30 HA3 GLY 4 3HA GLY 4 4.717 6.772 -6.366 31 H TRP 5 H TRP 5 7.439 4.629 -5.729 32 HA TRP 5 HA TRP 5 8.322 6.510 -3.652 33 HB2 TRP 5 2HB TRP 5 7.673 4.158 -3.008 34 HB3 TRP 5 3HB TRP 5 9.067 3.594 -3.925 35 HD1 TRP 5 HD1 TRP 5 11.452 3.879 -2.831 36 HE1 TRP 5 HE1 TRP 5 12.233 4.531 -0.467 37 HE3 TRP 5 HE3 TRP 5 7.042 5.697 -0.991 38 HZ2 TRP 5 HZ2 TRP 5 11.127 5.665 1.869 39 HZ3 TRP 5 HZ3 TRP 5 6.988 6.546 1.318 40 HH2 TRP 5 HH2 TRP 5 8.989 6.529 2.717 41 H LYS 6 H LYS 6 9.301 4.897 -6.562 42 HA LYS 6 HA LYS 6 12.107 5.500 -6.235 43 HB2 LYS 6 2HB LYS 6 11.675 3.527 -7.459 44 HB3 LYS 6 3HB LYS 6 10.463 4.315 -8.462 45 HG2 LYS 6 2HG LYS 6 13.141 5.486 -8.654 46 HG3 LYS 6 3HG LYS 6 13.023 3.816 -9.213 47 HD2 LYS 6 2HD LYS 6 10.781 5.321 -10.177 48 HD3 LYS 6 3HD LYS 6 12.280 6.156 -10.589 49 HE2 LYS 6 2HE LYS 6 11.660 4.619 -12.359 50 HE3 LYS 6 3HE LYS 6 13.146 4.081 -11.578 51 HZ1 LYS 6 3HZ LYS 6 10.917 2.571 -12.001 52 HZ2 LYS 6 1HZ LYS 6 10.811 2.968 -10.360 53 HZ3 LYS 6 2HZ LYS 6 12.190 2.189 -10.954 54 H ARG 7 H ARG 7 9.320 6.908 -7.800 55 HA ARG 7 HA ARG 7 10.539 8.637 -9.600 56 HB2 ARG 7 2HB ARG 7 7.967 8.674 -8.086 57 HB3 ARG 7 3HB ARG 7 8.461 10.137 -8.927 58 HG2 ARG 7 2HG ARG 7 8.034 9.272 -10.954 59 HG3 ARG 7 3HG ARG 7 8.632 7.672 -10.513 60 HD2 ARG 7 2HD ARG 7 6.435 7.706 -9.012 61 HD3 ARG 7 3HD ARG 7 5.910 8.825 -10.269 62 HE ARG 7 HE ARG 7 7.033 6.465 -11.386 63 HH11 ARG 7 1HH1 ARG 7 4.166 7.728 -9.868 64 HH12 ARG 7 2HH1 ARG 7 3.104 6.589 -10.628 65 HH21 ARG 7 2HH2 ARG 7 3.947 5.015 -12.063 66 HH22 ARG 7 1HH2 ARG 7 5.645 4.961 -12.393 67 H LYS 8 H LYS 8 10.279 8.822 -6.133 68 HA LYS 8 HA LYS 8 11.515 11.492 -6.170 69 HB2 LYS 8 2HB LYS 8 9.989 10.047 -4.000 70 HB3 LYS 8 3HB LYS 8 10.828 11.573 -3.752 71 HG2 LYS 8 2HG LYS 8 9.012 12.643 -4.416 72 HG3 LYS 8 3HG LYS 8 9.192 11.916 -6.015 73 HD2 LYS 8 2HD LYS 8 6.987 11.433 -5.185 74 HD3 LYS 8 3HD LYS 8 7.928 9.939 -5.201 75 HE2 LYS 8 2HE LYS 8 7.701 9.681 -3.000 76 HE3 LYS 8 3HE LYS 8 8.209 11.340 -2.687 77 HZ1 LYS 8 3HZ LYS 8 5.622 11.392 -3.757 78 HZ2 LYS 8 1HZ LYS 8 6.125 11.849 -2.207 79 HZ3 LYS 8 2HZ LYS 8 5.639 10.257 -2.503 80 H CYS 9 H CYS 9 11.870 8.198 -5.044 81 HA CYS 9 HA CYS 9 14.561 8.879 -4.055 82 HB2 CYS 9 2HB CYS 9 12.813 6.591 -3.130 83 HB3 CYS 9 3HB CYS 9 14.387 7.033 -2.482 84 HG CYS 9 HG CYS 9 12.652 7.850 -0.557 85 HA PRO 10 HA PRO 10 14.968 6.054 -7.722 86 HB2 PRO 10 2HB PRO 10 16.968 7.470 -8.889 87 HB3 PRO 10 3HB PRO 10 15.257 7.827 -9.155 88 HG2 PRO 10 2HG PRO 10 17.207 9.162 -7.318 89 HG3 PRO 10 3HG PRO 10 15.985 9.893 -8.375 90 HD2 PRO 10 2HD PRO 10 15.603 9.570 -5.714 91 HD3 PRO 10 3HD PRO 10 14.273 9.488 -6.886 92 H LEU 11 H LEU 11 17.070 7.330 -5.290 93 HA LEU 11 HA LEU 11 19.364 5.756 -5.923 94 HB2 LEU 11 2HB LEU 11 18.591 7.019 -3.298 95 HB3 LEU 11 3HB LEU 11 20.193 6.435 -3.743 96 HG LEU 11 HG LEU 11 18.859 8.636 -5.286 97 HD11 LEU 11 1HD1 LEU 11 20.308 10.151 -3.820 98 HD12 LEU 11 2HD1 LEU 11 20.322 8.811 -2.674 99 HD13 LEU 11 3HD1 LEU 11 18.793 9.555 -3.140 100 HD21 LEU 11 3HD2 LEU 11 20.820 7.547 -6.265 101 HD22 LEU 11 1HD2 LEU 11 21.746 7.904 -4.808 102 HD23 LEU 11 2HD2 LEU 11 21.162 9.221 -5.825 103 H PHE 12 H PHE 12 16.491 5.279 -3.996 104 HA PHE 12 HA PHE 12 17.461 2.584 -3.302 105 HB2 PHE 12 2HB PHE 12 15.455 4.228 -1.746 106 HB3 PHE 12 3HB PHE 12 16.119 2.664 -1.285 107 HD1 PHE 12 HD1 PHE 12 18.665 2.541 -0.933 108 HD2 PHE 12 HD2 PHE 12 16.460 6.181 -1.017 109 HE1 PHE 12 HE1 PHE 12 20.488 3.670 0.275 110 HE2 PHE 12 HE2 PHE 12 18.279 7.315 0.189 111 HZ PHE 12 HZ PHE 12 20.297 6.060 0.836 112 H GLY 13 H GLY 13 16.085 3.380 -5.728 113 HA2 GLY 13 2HA GLY 13 13.340 2.529 -5.474 114 HA3 GLY 13 3HA GLY 13 14.181 2.917 -6.968 115 H LYS 14 H LYS 14 16.378 1.016 -6.180 116 HA LYS 14 HA LYS 14 15.533 -1.207 -7.636 117 HB2 LYS 14 2HB LYS 14 17.564 -2.331 -6.661 118 HB3 LYS 14 3HB LYS 14 17.870 -0.782 -7.437 119 HG2 LYS 14 2HG LYS 14 18.780 0.007 -5.583 120 HG3 LYS 14 3HG LYS 14 17.312 -0.349 -4.670 121 HD2 LYS 14 2HD LYS 14 18.764 -1.684 -3.532 122 HD3 LYS 14 3HD LYS 14 18.297 -2.816 -4.803 123 HE2 LYS 14 2HE LYS 14 20.399 -1.327 -5.880 124 HE3 LYS 14 3HE LYS 14 20.879 -1.665 -4.217 125 HZ1 LYS 14 3HZ LYS 14 20.190 -4.050 -4.759 126 HZ2 LYS 14 1HZ LYS 14 21.647 -3.485 -5.407 127 HZ3 LYS 14 2HZ LYS 14 20.267 -3.576 -6.381 128 H GLY 15 H GLY 15 15.178 -0.442 -4.272 129 HA2 GLY 15 2HA GLY 15 14.760 -3.055 -3.273 130 HA3 GLY 15 3HA GLY 15 14.203 -1.566 -2.523 131 H GLY 16 H GLY 16 12.769 -0.988 -5.174 132 HA2 GLY 16 2HA GLY 16 10.870 -2.822 -5.856 133 HA3 GLY 16 3HA GLY 16 10.262 -2.137 -4.356 Start of MODEL 8 1 H1 VAL 1 H VAL 1 0.333 -0.178 -2.710 2 HA VAL 1 HA VAL 1 0.509 2.215 -2.154 3 HB VAL 1 HB VAL 1 1.631 2.010 0.105 4 HG11 VAL 1 1HG1 VAL 1 -0.645 1.727 0.228 5 HG12 VAL 1 2HG1 VAL 1 -0.637 0.319 -0.836 6 HG13 VAL 1 3HG1 VAL 1 -0.084 0.168 0.833 7 HG21 VAL 1 3HG2 VAL 1 1.667 -0.879 0.070 8 HG22 VAL 1 1HG2 VAL 1 2.825 -0.207 -1.077 9 HG23 VAL 1 2HG2 VAL 1 2.900 0.254 0.623 10 H ALA 2 H ALA 2 3.455 0.518 -2.876 11 HA ALA 2 HA ALA 2 5.074 2.917 -2.491 12 HB1 ALA 2 1HB ALA 2 6.180 0.365 -3.570 13 HB2 ALA 2 2HB ALA 2 6.937 1.569 -2.526 14 HB3 ALA 2 3HB ALA 2 5.730 0.465 -1.867 15 H ARG 3 H ARG 3 3.131 3.123 -4.502 16 HA ARG 3 HA ARG 3 3.993 2.492 -7.083 17 HB2 ARG 3 2HB ARG 3 2.282 4.776 -6.094 18 HB3 ARG 3 3HB ARG 3 2.510 4.392 -7.795 19 HG2 ARG 3 2HG ARG 3 0.859 2.927 -7.689 20 HG3 ARG 3 3HG ARG 3 1.739 2.012 -6.462 21 HD2 ARG 3 2HD ARG 3 0.556 2.914 -4.745 22 HD3 ARG 3 3HD ARG 3 0.344 4.462 -5.563 23 HE ARG 3 HE ARG 3 -1.635 3.697 -6.420 24 HH11 ARG 3 1HH1 ARG 3 0.208 0.997 -5.222 25 HH12 ARG 3 2HH1 ARG 3 -1.079 -0.143 -5.432 26 HH21 ARG 3 2HH2 ARG 3 -3.096 0.546 -6.275 27 HH22 ARG 3 1HH2 ARG 3 -3.338 2.206 -6.701 28 H GLY 4 H GLY 4 4.868 5.121 -4.944 29 HA2 GLY 4 2HA GLY 4 6.614 6.211 -7.062 30 HA3 GLY 4 3HA GLY 4 5.967 7.156 -5.729 31 H TRP 5 H TRP 5 7.704 4.050 -5.963 32 HA TRP 5 HA TRP 5 9.216 4.613 -3.598 33 HB2 TRP 5 2HB TRP 5 8.512 2.312 -4.443 34 HB3 TRP 5 3HB TRP 5 9.815 2.455 -5.620 35 HD1 TRP 5 HD1 TRP 5 10.528 3.864 -2.188 36 HE1 TRP 5 HE1 TRP 5 12.200 2.332 -0.969 37 HE3 TRP 5 HE3 TRP 5 10.517 -0.091 -5.428 38 HZ2 TRP 5 HZ2 TRP 5 13.361 -0.215 -1.334 39 HZ3 TRP 5 HZ3 TRP 5 11.937 -2.036 -4.920 40 HH2 TRP 5 HH2 TRP 5 13.329 -2.094 -2.915 41 H LYS 6 H LYS 6 9.791 4.813 -7.054 42 HA LYS 6 HA LYS 6 12.436 5.985 -6.487 43 HB2 LYS 6 2HB LYS 6 13.053 5.242 -8.810 44 HB3 LYS 6 3HB LYS 6 12.803 3.939 -7.656 45 HG2 LYS 6 2HG LYS 6 10.425 4.715 -9.196 46 HG3 LYS 6 3HG LYS 6 11.741 4.009 -10.137 47 HD2 LYS 6 2HD LYS 6 11.731 2.252 -8.159 48 HD3 LYS 6 3HD LYS 6 10.059 2.796 -8.002 49 HE2 LYS 6 2HE LYS 6 10.159 2.432 -10.655 50 HE3 LYS 6 3HE LYS 6 11.367 1.248 -10.158 51 HZ1 LYS 6 3HZ LYS 6 9.742 -0.119 -9.585 52 HZ2 LYS 6 1HZ LYS 6 8.584 1.014 -10.073 53 HZ3 LYS 6 2HZ LYS 6 9.140 1.008 -8.476 54 H ARG 7 H ARG 7 9.339 6.567 -7.604 55 HA ARG 7 HA ARG 7 9.679 8.313 -9.743 56 HB2 ARG 7 2HB ARG 7 7.613 8.298 -7.541 57 HB3 ARG 7 3HB ARG 7 7.518 9.342 -8.953 58 HG2 ARG 7 2HG ARG 7 7.529 6.331 -8.972 59 HG3 ARG 7 3HG ARG 7 6.129 7.374 -9.229 60 HD2 ARG 7 2HD ARG 7 7.660 8.390 -11.117 61 HD3 ARG 7 3HD ARG 7 8.443 6.813 -11.019 62 HE ARG 7 HE ARG 7 5.626 6.540 -11.221 63 HH11 ARG 7 1HH1 ARG 7 8.474 7.271 -13.086 64 HH12 ARG 7 2HH1 ARG 7 7.799 6.709 -14.579 65 HH21 ARG 7 2HH2 ARG 7 5.667 5.871 -14.632 66 HH22 ARG 7 1HH2 ARG 7 4.727 5.796 -13.181 67 H LYS 8 H LYS 8 10.005 8.858 -6.287 68 HA LYS 8 HA LYS 8 10.951 11.588 -6.869 69 HB2 LYS 8 2HB LYS 8 9.707 10.647 -4.282 70 HB3 LYS 8 3HB LYS 8 10.151 12.296 -4.705 71 HG2 LYS 8 2HG LYS 8 8.039 12.563 -5.334 72 HG3 LYS 8 3HG LYS 8 8.429 11.553 -6.729 73 HD2 LYS 8 2HD LYS 8 6.627 10.410 -5.895 74 HD3 LYS 8 3HD LYS 8 7.933 9.603 -5.023 75 HE2 LYS 8 2HE LYS 8 7.358 10.532 -3.029 76 HE3 LYS 8 3HE LYS 8 6.766 12.019 -3.769 77 HZ1 LYS 8 3HZ LYS 8 5.050 10.511 -2.733 78 HZ2 LYS 8 1HZ LYS 8 5.320 9.449 -4.022 79 HZ3 LYS 8 2HZ LYS 8 4.739 11.009 -4.319 80 H CYS 9 H CYS 9 11.388 8.685 -4.918 81 HA CYS 9 HA CYS 9 14.113 9.610 -4.284 82 HB2 CYS 9 2HB CYS 9 13.927 8.058 -2.280 83 HB3 CYS 9 3HB CYS 9 12.949 9.520 -2.218 84 HG CYS 9 HG CYS 9 11.979 6.300 -2.387 85 HA PRO 10 HA PRO 10 14.382 5.806 -6.930 86 HB2 PRO 10 2HB PRO 10 16.358 6.770 -8.522 87 HB3 PRO 10 3HB PRO 10 14.643 7.063 -8.836 88 HG2 PRO 10 2HG PRO 10 16.663 8.850 -7.537 89 HG3 PRO 10 3HG PRO 10 15.416 9.254 -8.730 90 HD2 PRO 10 2HD PRO 10 15.115 9.748 -6.085 91 HD3 PRO 10 3HD PRO 10 13.748 9.345 -7.143 92 H LEU 11 H LEU 11 16.503 7.659 -4.963 93 HA LEU 11 HA LEU 11 18.906 6.282 -5.182 94 HB2 LEU 11 2HB LEU 11 18.112 8.367 -3.740 95 HB3 LEU 11 3HB LEU 11 18.008 7.135 -2.484 96 HG LEU 11 HG LEU 11 20.456 6.594 -3.182 97 HD11 LEU 11 1HD1 LEU 11 20.824 7.866 -5.081 98 HD12 LEU 11 2HD1 LEU 11 21.563 8.842 -3.812 99 HD13 LEU 11 3HD1 LEU 11 19.969 9.267 -4.434 100 HD21 LEU 11 3HD2 LEU 11 19.972 9.191 -1.745 101 HD22 LEU 11 1HD2 LEU 11 21.252 8.009 -1.471 102 HD23 LEU 11 2HD2 LEU 11 19.587 7.622 -1.036 103 H PHE 12 H PHE 12 15.917 5.331 -3.720 104 HA PHE 12 HA PHE 12 17.210 2.883 -2.708 105 HB2 PHE 12 2HB PHE 12 14.644 4.114 -1.687 106 HB3 PHE 12 3HB PHE 12 15.499 2.734 -1.006 107 HD1 PHE 12 HD1 PHE 12 14.683 5.758 -0.070 108 HD2 PHE 12 HD2 PHE 12 18.266 3.647 -0.978 109 HE1 PHE 12 HE1 PHE 12 15.945 7.275 1.400 110 HE2 PHE 12 HE2 PHE 12 19.533 5.159 0.492 111 HZ PHE 12 HZ PHE 12 18.373 6.976 1.683 112 H GLY 13 H GLY 13 16.079 3.527 -5.395 113 HA2 GLY 13 2HA GLY 13 13.889 1.550 -5.464 114 HA3 GLY 13 3HA GLY 13 14.125 2.820 -6.655 115 H LYS 14 H LYS 14 16.937 1.185 -5.554 116 HA LYS 14 HA LYS 14 17.273 0.000 -8.194 117 HB2 LYS 14 2HB LYS 14 19.597 -0.463 -7.386 118 HB3 LYS 14 3HB LYS 14 19.159 1.240 -7.392 119 HG2 LYS 14 2HG LYS 14 18.879 1.258 -5.029 120 HG3 LYS 14 3HG LYS 14 19.024 -0.499 -4.942 121 HD2 LYS 14 2HD LYS 14 21.266 1.059 -6.134 122 HD3 LYS 14 3HD LYS 14 21.064 1.078 -4.380 123 HE2 LYS 14 2HE LYS 14 20.802 -1.567 -4.898 124 HE3 LYS 14 3HE LYS 14 21.927 -1.093 -6.170 125 HZ1 LYS 14 3HZ LYS 14 23.023 -1.801 -4.091 126 HZ2 LYS 14 1HZ LYS 14 22.315 -0.490 -3.289 127 HZ3 LYS 14 2HZ LYS 14 23.421 -0.219 -4.539 128 H GLY 15 H GLY 15 16.817 -0.944 -4.855 129 HA2 GLY 15 2HA GLY 15 17.573 -3.632 -5.003 130 HA3 GLY 15 3HA GLY 15 16.376 -2.980 -3.893 131 H GLY 16 H GLY 16 14.726 -2.029 -6.205 132 HA2 GLY 16 2HA GLY 16 13.109 -4.372 -6.437 133 HA3 GLY 16 3HA GLY 16 12.822 -2.828 -7.226 Start of MODEL 9 1 H1 VAL 1 H VAL 1 3.057 1.051 -3.219 2 HA VAL 1 HA VAL 1 3.177 3.389 -2.715 3 HB VAL 1 HB VAL 1 3.597 4.106 -0.374 4 HG11 VAL 1 1HG1 VAL 1 1.357 4.238 -1.174 5 HG12 VAL 1 2HG1 VAL 1 1.105 2.508 -0.931 6 HG13 VAL 1 3HG1 VAL 1 1.292 3.577 0.460 7 HG21 VAL 1 3HG2 VAL 1 3.139 1.186 0.225 8 HG22 VAL 1 1HG2 VAL 1 4.610 2.114 0.519 9 HG23 VAL 1 2HG2 VAL 1 3.145 2.468 1.436 10 H ALA 2 H ALA 2 5.147 0.802 -1.419 11 HA ALA 2 HA ALA 2 7.562 2.397 -1.421 12 HB1 ALA 2 1HB ALA 2 7.016 -0.503 -0.838 13 HB2 ALA 2 2HB ALA 2 8.641 0.184 -0.853 14 HB3 ALA 2 3HB ALA 2 7.443 0.777 0.298 15 H ARG 3 H ARG 3 5.901 0.215 -3.547 16 HA ARG 3 HA ARG 3 8.090 -0.499 -5.195 17 HB2 ARG 3 2HB ARG 3 6.117 -1.836 -5.302 18 HB3 ARG 3 3HB ARG 3 5.114 -0.441 -5.676 19 HG2 ARG 3 2HG ARG 3 7.242 -0.844 -7.614 20 HG3 ARG 3 3HG ARG 3 6.152 -2.226 -7.487 21 HD2 ARG 3 2HD ARG 3 4.693 0.267 -7.497 22 HD3 ARG 3 3HD ARG 3 5.729 0.129 -8.916 23 HE ARG 3 HE ARG 3 4.306 -2.278 -8.510 24 HH11 ARG 3 1HH1 ARG 3 3.867 1.006 -9.578 25 HH12 ARG 3 2HH1 ARG 3 2.532 0.628 -10.616 26 HH21 ARG 3 2HH2 ARG 3 1.783 -1.531 -10.782 27 HH22 ARG 3 1HH2 ARG 3 2.550 -2.789 -9.873 28 H GLY 4 H GLY 4 6.005 2.289 -5.053 29 HA2 GLY 4 2HA GLY 4 7.033 3.286 -7.610 30 HA3 GLY 4 3HA GLY 4 5.711 3.983 -6.685 31 H TRP 5 H TRP 5 8.824 3.091 -5.328 32 HA TRP 5 HA TRP 5 9.164 5.671 -4.171 33 HB2 TRP 5 2HB TRP 5 10.574 3.087 -4.123 34 HB3 TRP 5 3HB TRP 5 11.618 4.493 -3.928 35 HD1 TRP 5 HD1 TRP 5 10.168 2.135 -1.785 36 HE1 TRP 5 HE1 TRP 5 9.503 3.097 0.508 37 HE3 TRP 5 HE3 TRP 5 10.206 7.113 -2.951 38 HZ2 TRP 5 HZ2 TRP 5 9.053 5.630 1.669 39 HZ3 TRP 5 HZ3 TRP 5 9.646 8.740 -1.192 40 HH2 TRP 5 HH2 TRP 5 9.081 8.012 1.069 41 H LYS 6 H LYS 6 10.150 4.206 -7.139 42 HA LYS 6 HA LYS 6 12.395 5.774 -7.755 43 HB2 LYS 6 2HB LYS 6 12.100 5.058 -10.019 44 HB3 LYS 6 3HB LYS 6 11.653 3.714 -8.976 45 HG2 LYS 6 2HG LYS 6 9.268 5.033 -9.349 46 HG3 LYS 6 3HG LYS 6 10.065 5.179 -10.917 47 HD2 LYS 6 2HD LYS 6 10.561 2.612 -10.491 48 HD3 LYS 6 3HD LYS 6 9.125 2.754 -9.474 49 HE2 LYS 6 2HE LYS 6 7.806 2.714 -11.261 50 HE3 LYS 6 3HE LYS 6 8.670 4.075 -11.974 51 HZ1 LYS 6 3HZ LYS 6 8.596 1.657 -13.064 52 HZ2 LYS 6 1HZ LYS 6 10.000 1.497 -12.133 53 HZ3 LYS 6 2HZ LYS 6 9.885 2.729 -13.285 54 H ARG 7 H ARG 7 9.083 6.582 -7.575 55 HA ARG 7 HA ARG 7 8.753 8.559 -9.470 56 HB2 ARG 7 2HB ARG 7 7.661 8.199 -6.699 57 HB3 ARG 7 3HB ARG 7 7.271 9.646 -7.619 58 HG2 ARG 7 2HG ARG 7 6.151 8.414 -9.281 59 HG3 ARG 7 3HG ARG 7 6.820 6.886 -8.707 60 HD2 ARG 7 2HD ARG 7 5.488 6.955 -6.734 61 HD3 ARG 7 3HD ARG 7 4.989 8.615 -7.059 62 HE ARG 7 HE ARG 7 3.885 6.213 -8.199 63 HH11 ARG 7 1HH1 ARG 7 4.304 9.648 -8.576 64 HH12 ARG 7 2HH1 ARG 7 2.925 9.835 -9.609 65 HH21 ARG 7 2HH2 ARG 7 1.654 8.012 -10.166 66 HH22 ARG 7 1HH2 ARG 7 2.068 6.445 -9.558 67 H LYS 8 H LYS 8 9.346 9.407 -6.070 68 HA LYS 8 HA LYS 8 10.851 11.749 -6.991 69 HB2 LYS 8 2HB LYS 8 9.822 11.187 -4.208 70 HB3 LYS 8 3HB LYS 8 10.420 12.719 -4.832 71 HG2 LYS 8 2HG LYS 8 8.324 13.255 -5.298 72 HG3 LYS 8 3HG LYS 8 8.342 12.006 -6.545 73 HD2 LYS 8 2HD LYS 8 6.453 11.617 -5.125 74 HD3 LYS 8 3HD LYS 8 7.649 10.359 -4.804 75 HE2 LYS 8 2HE LYS 8 8.434 11.699 -2.856 76 HE3 LYS 8 3HE LYS 8 7.103 12.818 -3.145 77 HZ1 LYS 8 3HZ LYS 8 6.487 9.967 -2.858 78 HZ2 LYS 8 1HZ LYS 8 5.562 11.318 -2.431 79 HZ3 LYS 8 2HZ LYS 8 6.867 10.847 -1.464 80 H CYS 9 H CYS 9 11.205 8.741 -5.350 81 HA CYS 9 HA CYS 9 13.959 9.460 -4.592 82 HB2 CYS 9 2HB CYS 9 12.131 7.345 -3.439 83 HB3 CYS 9 3HB CYS 9 13.820 7.553 -2.989 84 HG CYS 9 HG CYS 9 11.618 10.128 -2.632 85 HA PRO 10 HA PRO 10 14.242 6.450 -8.112 86 HB2 PRO 10 2HB PRO 10 16.230 7.780 -9.394 87 HB3 PRO 10 3HB PRO 10 14.518 8.149 -9.633 88 HG2 PRO 10 2HG PRO 10 16.533 9.540 -7.910 89 HG3 PRO 10 3HG PRO 10 15.294 10.238 -8.969 90 HD2 PRO 10 2HD PRO 10 14.977 10.045 -6.287 91 HD3 PRO 10 3HD PRO 10 13.616 9.928 -7.420 92 H LEU 11 H LEU 11 16.285 7.661 -5.662 93 HA LEU 11 HA LEU 11 18.626 6.148 -6.307 94 HB2 LEU 11 2HB LEU 11 18.398 8.255 -4.834 95 HB3 LEU 11 3HB LEU 11 17.936 7.129 -3.560 96 HG LEU 11 HG LEU 11 20.315 6.107 -4.609 97 HD11 LEU 11 1HD1 LEU 11 20.286 8.682 -5.448 98 HD12 LEU 11 2HD1 LEU 11 21.748 7.769 -5.077 99 HD13 LEU 11 3HD1 LEU 11 21.054 8.850 -3.869 100 HD21 LEU 11 3HD2 LEU 11 20.158 7.847 -2.172 101 HD22 LEU 11 1HD2 LEU 11 21.114 6.389 -2.437 102 HD23 LEU 11 2HD2 LEU 11 19.367 6.271 -2.228 103 H PHE 12 H PHE 12 15.667 5.516 -4.633 104 HA PHE 12 HA PHE 12 16.725 3.066 -3.441 105 HB2 PHE 12 2HB PHE 12 14.250 4.696 -3.058 106 HB3 PHE 12 3HB PHE 12 14.207 2.986 -2.639 107 HD1 PHE 12 HD1 PHE 12 14.976 6.229 -1.500 108 HD2 PHE 12 HD2 PHE 12 16.125 2.151 -1.092 109 HE1 PHE 12 HE1 PHE 12 16.012 6.742 0.672 110 HE2 PHE 12 HE2 PHE 12 17.161 2.657 1.081 111 HZ PHE 12 HZ PHE 12 17.105 4.954 1.966 112 H GLY 13 H GLY 13 16.336 3.452 -6.365 113 HA2 GLY 13 2HA GLY 13 14.150 1.602 -6.959 114 HA3 GLY 13 3HA GLY 13 15.087 2.514 -8.134 115 H LYS 14 H LYS 14 16.606 0.688 -5.577 116 HA LYS 14 HA LYS 14 18.176 -0.791 -7.439 117 HB2 LYS 14 2HB LYS 14 19.028 -1.958 -5.404 118 HB3 LYS 14 3HB LYS 14 19.137 -0.205 -5.314 119 HG2 LYS 14 2HG LYS 14 18.078 -0.289 -3.375 120 HG3 LYS 14 3HG LYS 14 16.645 -0.878 -4.221 121 HD2 LYS 14 2HD LYS 14 17.022 -3.050 -3.630 122 HD3 LYS 14 3HD LYS 14 18.775 -2.846 -3.583 123 HE2 LYS 14 2HE LYS 14 17.367 -1.269 -1.572 124 HE3 LYS 14 3HE LYS 14 17.112 -3.005 -1.401 125 HZ1 LYS 14 3HZ LYS 14 19.154 -1.822 -0.300 126 HZ2 LYS 14 1HZ LYS 14 19.844 -2.042 -1.829 127 HZ3 LYS 14 2HZ LYS 14 19.298 -3.378 -0.948 128 H GLY 15 H GLY 15 15.250 -1.428 -5.637 129 HA2 GLY 15 2HA GLY 15 15.232 -4.247 -5.920 130 HA3 GLY 15 3HA GLY 15 13.834 -3.237 -5.588 131 H GLY 16 H GLY 16 14.253 -1.644 -8.042 132 HA2 GLY 16 2HA GLY 16 12.599 -3.134 -9.774 133 HA3 GLY 16 3HA GLY 16 13.433 -1.643 -10.186 Start of MODEL 10 1 H1 VAL 1 H VAL 1 3.055 -2.049 -3.655 2 HA VAL 1 HA VAL 1 2.660 0.076 -2.475 3 HB VAL 1 HB VAL 1 4.918 -1.503 -1.234 4 HG11 VAL 1 1HG1 VAL 1 3.862 -0.647 0.900 5 HG12 VAL 1 2HG1 VAL 1 4.737 0.544 -0.065 6 HG13 VAL 1 3HG1 VAL 1 2.974 0.496 -0.107 7 HG21 VAL 1 3HG2 VAL 1 3.301 -3.110 -1.472 8 HG22 VAL 1 1HG2 VAL 1 2.815 -2.405 0.070 9 HG23 VAL 1 2HG2 VAL 1 1.978 -1.945 -1.413 10 H ALA 2 H ALA 2 5.830 -0.452 -3.805 11 HA ALA 2 HA ALA 2 6.544 2.334 -3.156 12 HB1 ALA 2 1HB ALA 2 8.799 1.756 -3.006 13 HB2 ALA 2 2HB ALA 2 7.966 0.426 -2.199 14 HB3 ALA 2 3HB ALA 2 8.558 0.224 -3.848 15 H ARG 3 H ARG 3 4.942 1.489 -5.408 16 HA ARG 3 HA ARG 3 6.471 1.330 -7.776 17 HB2 ARG 3 2HB ARG 3 4.347 1.990 -8.910 18 HB3 ARG 3 3HB ARG 3 4.173 0.634 -7.804 19 HG2 ARG 3 2HG ARG 3 3.628 2.823 -6.220 20 HG3 ARG 3 3HG ARG 3 2.899 3.239 -7.772 21 HD2 ARG 3 2HD ARG 3 1.723 1.077 -7.772 22 HD3 ARG 3 3HD ARG 3 2.423 0.712 -6.195 23 HE ARG 3 HE ARG 3 0.199 2.438 -6.743 24 HH11 ARG 3 1HH1 ARG 3 2.801 1.763 -4.532 25 HH12 ARG 3 2HH1 ARG 3 2.014 2.500 -3.176 26 HH21 ARG 3 2HH2 ARG 3 -0.062 3.437 -3.424 27 HH22 ARG 3 1HH2 ARG 3 -0.848 3.412 -4.966 28 H GLY 4 H GLY 4 5.328 4.019 -5.849 29 HA2 GLY 4 2HA GLY 4 6.344 5.911 -7.860 30 HA3 GLY 4 3HA GLY 4 5.263 6.314 -6.534 31 H TRP 5 H TRP 5 7.987 4.273 -5.917 32 HA TRP 5 HA TRP 5 9.166 6.408 -4.298 33 HB2 TRP 5 2HB TRP 5 9.008 3.488 -4.097 34 HB3 TRP 5 3HB TRP 5 10.610 4.131 -3.744 35 HD1 TRP 5 HD1 TRP 5 10.953 4.716 -1.285 36 HE1 TRP 5 HE1 TRP 5 9.440 5.369 0.692 37 HE3 TRP 5 HE3 TRP 5 6.453 4.830 -3.709 38 HZ2 TRP 5 HZ2 TRP 5 6.702 5.866 1.163 39 HZ3 TRP 5 HZ3 TRP 5 4.435 5.403 -2.422 40 HH2 TRP 5 HH2 TRP 5 4.559 5.909 -0.037 41 H LYS 6 H LYS 6 9.764 4.451 -7.094 42 HA LYS 6 HA LYS 6 12.586 5.065 -7.210 43 HB2 LYS 6 2HB LYS 6 12.482 3.907 -9.410 44 HB3 LYS 6 3HB LYS 6 11.871 2.933 -8.079 45 HG2 LYS 6 2HG LYS 6 10.063 2.570 -9.305 46 HG3 LYS 6 3HG LYS 6 9.634 4.263 -9.047 47 HD2 LYS 6 2HD LYS 6 9.629 4.268 -11.317 48 HD3 LYS 6 3HD LYS 6 11.351 4.571 -11.070 49 HE2 LYS 6 2HE LYS 6 11.855 2.238 -11.381 50 HE3 LYS 6 3HE LYS 6 10.140 1.836 -11.452 51 HZ1 LYS 6 3HZ LYS 6 10.437 3.713 -13.392 52 HZ2 LYS 6 1HZ LYS 6 10.373 2.041 -13.642 53 HZ3 LYS 6 2HZ LYS 6 11.869 2.821 -13.516 54 H ARG 7 H ARG 7 9.644 6.475 -8.284 55 HA ARG 7 HA ARG 7 10.812 8.010 -10.423 56 HB2 ARG 7 2HB ARG 7 8.124 8.147 -9.052 57 HB3 ARG 7 3HB ARG 7 8.589 9.189 -10.390 58 HG2 ARG 7 2HG ARG 7 8.362 7.552 -11.926 59 HG3 ARG 7 3HG ARG 7 8.915 6.290 -10.823 60 HD2 ARG 7 2HD ARG 7 6.744 5.687 -10.845 61 HD3 ARG 7 3HD ARG 7 6.590 6.970 -9.645 62 HE ARG 7 HE ARG 7 6.272 7.868 -12.359 63 HH11 ARG 7 1HH1 ARG 7 4.672 6.523 -9.575 64 HH12 ARG 7 2HH1 ARG 7 3.106 7.104 -10.032 65 HH21 ARG 7 2HH2 ARG 7 2.846 8.308 -11.964 66 HH22 ARG 7 1HH2 ARG 7 4.215 8.640 -12.971 67 H LYS 8 H LYS 8 10.405 8.348 -7.021 68 HA LYS 8 HA LYS 8 11.169 11.188 -7.177 69 HB2 LYS 8 2HB LYS 8 9.785 9.646 -4.978 70 HB3 LYS 8 3HB LYS 8 10.358 11.299 -4.802 71 HG2 LYS 8 2HG LYS 8 8.687 12.163 -6.060 72 HG3 LYS 8 3HG LYS 8 8.586 10.741 -7.102 73 HD2 LYS 8 2HD LYS 8 6.605 10.615 -5.913 74 HD3 LYS 8 3HD LYS 8 7.670 9.568 -4.971 75 HE2 LYS 8 2HE LYS 8 8.183 11.819 -3.697 76 HE3 LYS 8 3HE LYS 8 6.604 12.275 -4.333 77 HZ1 LYS 8 3HZ LYS 8 6.077 9.853 -3.358 78 HZ2 LYS 8 1HZ LYS 8 5.887 11.279 -2.469 79 HZ3 LYS 8 2HZ LYS 8 7.284 10.345 -2.280 80 H CYS 9 H CYS 9 11.667 8.319 -5.113 81 HA CYS 9 HA CYS 9 14.430 9.246 -4.676 82 HB2 CYS 9 2HB CYS 9 14.275 7.961 -2.491 83 HB3 CYS 9 3HB CYS 9 13.326 9.439 -2.584 84 HG CYS 9 HG CYS 9 11.793 7.619 -1.191 85 HA PRO 10 HA PRO 10 14.550 5.147 -6.844 86 HB2 PRO 10 2HB PRO 10 16.522 5.858 -8.570 87 HB3 PRO 10 3HB PRO 10 14.810 6.163 -8.889 88 HG2 PRO 10 2HG PRO 10 16.903 8.030 -7.842 89 HG3 PRO 10 3HG PRO 10 15.645 8.327 -9.056 90 HD2 PRO 10 2HD PRO 10 15.408 9.139 -6.484 91 HD3 PRO 10 3HD PRO 10 14.010 8.654 -7.464 92 H LEU 11 H LEU 11 16.802 7.181 -5.202 93 HA LEU 11 HA LEU 11 19.136 5.680 -5.278 94 HB2 LEU 11 2HB LEU 11 17.993 7.351 -3.047 95 HB3 LEU 11 3HB LEU 11 19.635 6.712 -3.062 96 HG LEU 11 HG LEU 11 18.948 8.285 -5.435 97 HD11 LEU 11 1HD1 LEU 11 18.665 10.358 -4.497 98 HD12 LEU 11 2HD1 LEU 11 19.380 9.883 -2.958 99 HD13 LEU 11 3HD1 LEU 11 17.748 9.357 -3.371 100 HD21 LEU 11 3HD2 LEU 11 21.146 8.935 -5.303 101 HD22 LEU 11 1HD2 LEU 11 21.215 7.368 -4.496 102 HD23 LEU 11 2HD2 LEU 11 21.180 8.851 -3.541 103 H PHE 12 H PHE 12 16.177 5.132 -3.537 104 HA PHE 12 HA PHE 12 17.403 2.815 -2.196 105 HB2 PHE 12 2HB PHE 12 16.473 4.457 -0.633 106 HB3 PHE 12 3HB PHE 12 14.913 4.358 -1.441 107 HD1 PHE 12 HD1 PHE 12 13.336 3.210 -0.253 108 HD2 PHE 12 HD2 PHE 12 17.385 1.913 -0.076 109 HE1 PHE 12 HE1 PHE 12 12.677 1.371 1.243 110 HE2 PHE 12 HE2 PHE 12 16.734 0.071 1.419 111 HZ PHE 12 HZ PHE 12 14.377 -0.203 2.080 112 H GLY 13 H GLY 13 14.811 3.915 -4.263 113 HA2 GLY 13 2HA GLY 13 13.169 1.653 -4.249 114 HA3 GLY 13 3HA GLY 13 13.329 2.775 -5.592 115 H LYS 14 H LYS 14 16.296 2.107 -5.635 116 HA LYS 14 HA LYS 14 16.257 0.272 -7.727 117 HB2 LYS 14 2HB LYS 14 18.710 0.086 -7.356 118 HB3 LYS 14 3HB LYS 14 18.138 1.748 -7.417 119 HG2 LYS 14 2HG LYS 14 19.288 2.054 -5.541 120 HG3 LYS 14 3HG LYS 14 18.005 1.146 -4.738 121 HD2 LYS 14 2HD LYS 14 19.550 -0.341 -4.138 122 HD3 LYS 14 3HD LYS 14 19.688 -0.789 -5.840 123 HE2 LYS 14 2HE LYS 14 21.339 1.139 -6.043 124 HE3 LYS 14 3HE LYS 14 21.352 1.171 -4.280 125 HZ1 LYS 14 3HZ LYS 14 21.897 -1.318 -5.777 126 HZ2 LYS 14 1HZ LYS 14 22.295 -0.939 -4.176 127 HZ3 LYS 14 2HZ LYS 14 23.126 -0.201 -5.451 128 H GLY 15 H GLY 15 16.416 -0.230 -4.277 129 HA2 GLY 15 2HA GLY 15 17.068 -3.053 -4.581 130 HA3 GLY 15 3HA GLY 15 16.855 -2.189 -3.066 131 H GLY 16 H GLY 16 14.340 -1.080 -3.441 132 HA2 GLY 16 2HA GLY 16 12.676 -3.255 -2.746 133 HA3 GLY 16 3HA GLY 16 12.137 -1.616 -3.077 Start of MODEL 11 1 H1 VAL 1 H VAL 1 4.471 -3.095 -2.051 2 HA VAL 1 HA VAL 1 3.850 -1.116 -0.966 3 HB VAL 1 HB VAL 1 6.489 -1.806 0.334 4 HG11 VAL 1 1HG1 VAL 1 4.945 -0.994 2.352 5 HG12 VAL 1 2HG1 VAL 1 5.951 0.116 1.419 6 HG13 VAL 1 3HG1 VAL 1 4.230 -0.032 1.059 7 HG21 VAL 1 3HG2 VAL 1 3.938 -3.214 0.217 8 HG22 VAL 1 1HG2 VAL 1 5.525 -3.783 0.736 9 HG23 VAL 1 2HG2 VAL 1 4.489 -2.909 1.864 10 H ALA 2 H ALA 2 6.975 -1.076 -2.477 11 HA ALA 2 HA ALA 2 6.976 1.870 -2.351 12 HB1 ALA 2 1HB ALA 2 9.408 0.141 -2.749 13 HB2 ALA 2 2HB ALA 2 9.350 1.872 -2.410 14 HB3 ALA 2 3HB ALA 2 8.869 0.714 -1.170 15 H ARG 3 H ARG 3 5.583 0.225 -4.293 16 HA ARG 3 HA ARG 3 6.969 -0.042 -6.709 17 HB2 ARG 3 2HB ARG 3 4.715 0.006 -7.767 18 HB3 ARG 3 3HB ARG 3 4.831 -1.106 -6.410 19 HG2 ARG 3 2HG ARG 3 3.863 0.810 -5.009 20 HG3 ARG 3 3HG ARG 3 3.425 1.532 -6.559 21 HD2 ARG 3 2HD ARG 3 1.734 0.101 -6.868 22 HD3 ARG 3 3HD ARG 3 2.701 -1.283 -6.361 23 HE ARG 3 HE ARG 3 2.156 0.012 -4.037 24 HH11 ARG 3 1HH1 ARG 3 0.206 -1.199 -6.654 25 HH12 ARG 3 2HH1 ARG 3 -1.168 -1.528 -5.651 26 HH21 ARG 3 2HH2 ARG 3 -1.083 -1.080 -3.405 27 HH22 ARG 3 1HH2 ARG 3 0.354 -0.416 -2.706 28 H GLY 4 H GLY 4 5.456 2.730 -5.203 29 HA2 GLY 4 2HA GLY 4 6.154 4.355 -7.567 30 HA3 GLY 4 3HA GLY 4 4.894 4.768 -6.414 31 H TRP 5 H TRP 5 8.080 3.576 -5.538 32 HA TRP 5 HA TRP 5 8.670 6.226 -4.391 33 HB2 TRP 5 2HB TRP 5 8.357 3.843 -3.022 34 HB3 TRP 5 3HB TRP 5 10.105 3.986 -3.182 35 HD1 TRP 5 HD1 TRP 5 11.306 5.603 -1.558 36 HE1 TRP 5 HE1 TRP 5 10.531 7.253 0.259 37 HE3 TRP 5 HE3 TRP 5 6.280 5.534 -2.490 38 HZ2 TRP 5 HZ2 TRP 5 8.110 8.376 1.177 39 HZ3 TRP 5 HZ3 TRP 5 4.803 6.924 -1.097 40 HH2 TRP 5 HH2 TRP 5 5.701 8.315 0.698 41 H LYS 6 H LYS 6 9.359 5.291 -7.050 42 HA LYS 6 HA LYS 6 12.293 5.154 -6.818 43 HB2 LYS 6 2HB LYS 6 12.243 4.228 -9.133 44 HB3 LYS 6 3HB LYS 6 11.450 3.204 -7.944 45 HG2 LYS 6 2HG LYS 6 9.657 3.166 -9.235 46 HG3 LYS 6 3HG LYS 6 9.460 4.899 -8.965 47 HD2 LYS 6 2HD LYS 6 9.644 4.979 -11.218 48 HD3 LYS 6 3HD LYS 6 11.372 4.942 -10.856 49 HE2 LYS 6 2HE LYS 6 9.637 2.568 -11.529 50 HE3 LYS 6 3HE LYS 6 10.813 3.332 -12.597 51 HZ1 LYS 6 3HZ LYS 6 12.448 2.800 -10.689 52 HZ2 LYS 6 1HZ LYS 6 11.984 1.562 -11.745 53 HZ3 LYS 6 2HZ LYS 6 11.280 1.673 -10.211 54 H ARG 7 H ARG 7 9.582 6.834 -8.227 55 HA ARG 7 HA ARG 7 10.993 8.417 -10.086 56 HB2 ARG 7 2HB ARG 7 8.351 8.718 -8.685 57 HB3 ARG 7 3HB ARG 7 8.968 9.990 -9.732 58 HG2 ARG 7 2HG ARG 7 8.649 7.146 -10.645 59 HG3 ARG 7 3HG ARG 7 7.368 8.352 -10.783 60 HD2 ARG 7 2HD ARG 7 9.654 9.584 -11.808 61 HD3 ARG 7 3HD ARG 7 9.694 7.938 -12.440 62 HE ARG 7 HE ARG 7 7.865 8.422 -13.737 63 HH11 ARG 7 1HH1 ARG 7 8.282 10.918 -11.347 64 HH12 ARG 7 2HH1 ARG 7 7.092 11.966 -12.044 65 HH21 ARG 7 2HH2 ARG 7 5.961 11.324 -13.931 66 HH22 ARG 7 1HH2 ARG 7 6.295 9.793 -14.665 67 H LYS 8 H LYS 8 9.454 9.696 -7.148 68 HA LYS 8 HA LYS 8 11.185 11.932 -7.014 69 HB2 LYS 8 2HB LYS 8 9.547 10.822 -4.737 70 HB3 LYS 8 3HB LYS 8 10.067 12.485 -4.975 71 HG2 LYS 8 2HG LYS 8 8.092 12.872 -5.898 72 HG3 LYS 8 3HG LYS 8 8.608 11.874 -7.260 73 HD2 LYS 8 2HD LYS 8 7.819 9.907 -5.717 74 HD3 LYS 8 3HD LYS 8 6.869 11.173 -4.935 75 HE2 LYS 8 2HE LYS 8 5.989 11.766 -7.217 76 HE3 LYS 8 3HE LYS 8 6.770 10.305 -7.818 77 HZ1 LYS 8 3HZ LYS 8 5.390 8.960 -6.483 78 HZ2 LYS 8 1HZ LYS 8 4.361 10.086 -7.217 79 HZ3 LYS 8 2HZ LYS 8 4.809 10.279 -5.597 80 H CYS 9 H CYS 9 11.342 8.716 -5.717 81 HA CYS 9 HA CYS 9 13.797 9.447 -4.260 82 HB2 CYS 9 2HB CYS 9 11.787 7.265 -3.679 83 HB3 CYS 9 3HB CYS 9 13.349 7.392 -2.879 84 HG CYS 9 HG CYS 9 12.128 10.304 -2.483 85 HA PRO 10 HA PRO 10 14.948 6.660 -7.797 86 HB2 PRO 10 2HB PRO 10 17.095 8.133 -8.567 87 HB3 PRO 10 3HB PRO 10 15.455 8.450 -9.146 88 HG2 PRO 10 2HG PRO 10 16.995 9.819 -6.974 89 HG3 PRO 10 3HG PRO 10 15.973 10.527 -8.238 90 HD2 PRO 10 2HD PRO 10 15.111 10.176 -5.696 91 HD3 PRO 10 3HD PRO 10 14.024 10.070 -7.096 92 H LEU 11 H LEU 11 16.528 7.968 -5.012 93 HA LEU 11 HA LEU 11 18.985 6.604 -5.166 94 HB2 LEU 11 2HB LEU 11 18.070 8.486 -3.551 95 HB3 LEU 11 3HB LEU 11 17.705 7.099 -2.527 96 HG LEU 11 HG LEU 11 19.801 7.975 -1.828 97 HD11 LEU 11 1HD1 LEU 11 20.374 5.577 -3.562 98 HD12 LEU 11 2HD1 LEU 11 19.602 5.512 -1.978 99 HD13 LEU 11 3HD1 LEU 11 21.262 6.089 -2.126 100 HD21 LEU 11 3HD2 LEU 11 21.136 9.083 -3.209 101 HD22 LEU 11 1HD2 LEU 11 20.106 8.628 -4.567 102 HD23 LEU 11 2HD2 LEU 11 21.464 7.600 -4.106 103 H PHE 12 H PHE 12 15.923 5.745 -3.584 104 HA PHE 12 HA PHE 12 16.932 2.991 -3.313 105 HB2 PHE 12 2HB PHE 12 14.992 4.570 -1.634 106 HB3 PHE 12 3HB PHE 12 15.060 2.813 -1.561 107 HD1 PHE 12 HD1 PHE 12 17.714 2.017 -1.477 108 HD2 PHE 12 HD2 PHE 12 16.037 5.588 0.122 109 HE1 PHE 12 HE1 PHE 12 19.561 2.155 0.142 110 HE2 PHE 12 HE2 PHE 12 17.882 5.732 1.744 111 HZ PHE 12 HZ PHE 12 19.648 4.015 1.755 112 H GLY 13 H GLY 13 16.087 3.443 -5.759 113 HA2 GLY 13 2HA GLY 13 13.235 2.808 -5.936 114 HA3 GLY 13 3HA GLY 13 14.278 3.265 -7.273 115 H LYS 14 H LYS 14 15.398 0.878 -5.040 116 HA LYS 14 HA LYS 14 15.796 -1.056 -7.047 117 HB2 LYS 14 2HB LYS 14 15.725 -1.364 -4.040 118 HB3 LYS 14 3HB LYS 14 16.307 -2.591 -5.157 119 HG2 LYS 14 2HG LYS 14 18.166 -1.298 -5.779 120 HG3 LYS 14 3HG LYS 14 17.488 0.166 -5.063 121 HD2 LYS 14 2HD LYS 14 18.713 -0.301 -3.257 122 HD3 LYS 14 3HD LYS 14 17.585 -1.625 -2.953 123 HE2 LYS 14 2HE LYS 14 19.777 -2.138 -4.877 124 HE3 LYS 14 3HE LYS 14 20.226 -1.981 -3.179 125 HZ1 LYS 14 3HZ LYS 14 18.560 -4.018 -4.477 126 HZ2 LYS 14 1HZ LYS 14 18.255 -3.630 -2.858 127 HZ3 LYS 14 2HZ LYS 14 19.778 -4.203 -3.318 128 H GLY 15 H GLY 15 13.125 -0.413 -4.900 129 HA2 GLY 15 2HA GLY 15 11.801 -2.867 -4.960 130 HA3 GLY 15 3HA GLY 15 11.014 -1.306 -4.786 131 H GLY 16 H GLY 16 12.057 -0.402 -7.418 132 HA2 GLY 16 2HA GLY 16 11.510 -0.513 -9.657 133 HA3 GLY 16 3HA GLY 16 11.005 -2.177 -9.402 Start of MODEL 12 1 H1 VAL 1 H VAL 1 7.124 -0.218 0.739 2 HA VAL 1 HA VAL 1 7.211 -1.746 -1.344 3 HB VAL 1 HB VAL 1 6.064 -0.649 -3.286 4 HG11 VAL 1 1HG1 VAL 1 4.637 -1.966 -1.029 5 HG12 VAL 1 2HG1 VAL 1 3.693 -1.366 -2.394 6 HG13 VAL 1 3HG1 VAL 1 4.966 -2.559 -2.657 7 HG21 VAL 1 3HG2 VAL 1 5.766 1.558 -2.188 8 HG22 VAL 1 1HG2 VAL 1 4.281 0.919 -2.893 9 HG23 VAL 1 2HG2 VAL 1 4.536 0.836 -1.150 10 H ALA 2 H ALA 2 8.620 -1.132 -3.071 11 HA ALA 2 HA ALA 2 9.996 1.423 -2.564 12 HB1 ALA 2 1HB ALA 2 11.990 0.407 -2.785 13 HB2 ALA 2 2HB ALA 2 11.073 -1.053 -2.412 14 HB3 ALA 2 3HB ALA 2 11.430 -0.641 -4.089 15 H ARG 3 H ARG 3 7.688 1.215 -4.247 16 HA ARG 3 HA ARG 3 8.899 1.785 -6.873 17 HB2 ARG 3 2HB ARG 3 6.737 1.124 -7.878 18 HB3 ARG 3 3HB ARG 3 7.516 -0.197 -7.018 19 HG2 ARG 3 2HG ARG 3 6.000 0.640 -5.037 20 HG3 ARG 3 3HG ARG 3 5.034 1.294 -6.361 21 HD2 ARG 3 2HD ARG 3 5.131 -1.016 -7.392 22 HD3 ARG 3 3HD ARG 3 5.797 -1.572 -5.857 23 HE ARG 3 HE ARG 3 3.710 -1.390 -4.915 24 HH11 ARG 3 1HH1 ARG 3 3.739 0.213 -8.006 25 HH12 ARG 3 2HH1 ARG 3 2.023 0.446 -8.047 26 HH21 ARG 3 2HH2 ARG 3 0.722 -0.294 -6.313 27 HH22 ARG 3 1HH2 ARG 3 1.450 -1.089 -4.958 28 H GLY 4 H GLY 4 6.604 2.766 -4.418 29 HA2 GLY 4 2HA GLY 4 5.326 4.855 -5.775 30 HA3 GLY 4 3HA GLY 4 5.536 4.760 -4.033 31 H TRP 5 H TRP 5 8.546 4.635 -4.586 32 HA TRP 5 HA TRP 5 8.887 7.546 -4.775 33 HB2 TRP 5 2HB TRP 5 10.903 5.556 -3.729 34 HB3 TRP 5 3HB TRP 5 10.890 7.303 -3.500 35 HD1 TRP 5 HD1 TRP 5 10.506 4.539 -1.413 36 HE1 TRP 5 HE1 TRP 5 8.807 4.896 0.487 37 HE3 TRP 5 HE3 TRP 5 8.009 8.578 -3.306 38 HZ2 TRP 5 HZ2 TRP 5 6.687 6.656 1.101 39 HZ3 TRP 5 HZ3 TRP 5 6.158 9.538 -2.000 40 HH2 TRP 5 HH2 TRP 5 5.512 8.595 0.157 41 H LYS 6 H LYS 6 8.884 5.172 -6.864 42 HA LYS 6 HA LYS 6 11.385 5.076 -8.091 43 HB2 LYS 6 2HB LYS 6 10.281 4.186 -9.997 44 HB3 LYS 6 3HB LYS 6 9.370 3.635 -8.597 45 HG2 LYS 6 2HG LYS 6 7.955 5.802 -9.093 46 HG3 LYS 6 3HG LYS 6 8.614 5.575 -10.715 47 HD2 LYS 6 2HD LYS 6 7.523 3.165 -9.401 48 HD3 LYS 6 3HD LYS 6 6.350 4.405 -9.850 49 HE2 LYS 6 2HE LYS 6 6.474 3.825 -11.993 50 HE3 LYS 6 3HE LYS 6 8.229 3.995 -11.985 51 HZ1 LYS 6 3HZ LYS 6 7.378 1.735 -12.567 52 HZ2 LYS 6 1HZ LYS 6 6.830 1.585 -10.974 53 HZ3 LYS 6 2HZ LYS 6 8.482 1.764 -11.285 54 H ARG 7 H ARG 7 9.020 7.585 -8.028 55 HA ARG 7 HA ARG 7 10.375 9.017 -10.205 56 HB2 ARG 7 2HB ARG 7 7.644 9.140 -9.020 57 HB3 ARG 7 3HB ARG 7 8.315 10.619 -9.694 58 HG2 ARG 7 2HG ARG 7 8.203 9.866 -11.827 59 HG3 ARG 7 3HG ARG 7 8.488 8.186 -11.366 60 HD2 ARG 7 2HD ARG 7 6.220 7.985 -10.555 61 HD3 ARG 7 3HD ARG 7 5.924 9.694 -10.870 62 HE ARG 7 HE ARG 7 5.850 7.552 -12.769 63 HH11 ARG 7 1HH1 ARG 7 6.429 10.960 -12.362 64 HH12 ARG 7 2HH1 ARG 7 6.029 11.357 -14.001 65 HH21 ARG 7 2HH2 ARG 7 5.397 9.707 -15.459 66 HH22 ARG 7 1HH2 ARG 7 5.320 8.061 -14.928 67 H LYS 8 H LYS 8 9.598 9.168 -6.794 68 HA LYS 8 HA LYS 8 10.757 11.817 -6.509 69 HB2 LYS 8 2HB LYS 8 9.144 10.000 -4.836 70 HB3 LYS 8 3HB LYS 8 10.333 10.956 -3.961 71 HG2 LYS 8 2HG LYS 8 8.653 12.448 -3.879 72 HG3 LYS 8 3HG LYS 8 9.246 12.878 -5.485 73 HD2 LYS 8 2HD LYS 8 7.214 12.424 -6.273 74 HD3 LYS 8 3HD LYS 8 7.505 10.727 -5.887 75 HE2 LYS 8 2HE LYS 8 6.607 11.113 -3.627 76 HE3 LYS 8 3HE LYS 8 6.275 12.789 -4.060 77 HZ1 LYS 8 3HZ LYS 8 4.597 10.641 -4.399 78 HZ2 LYS 8 1HZ LYS 8 5.154 10.993 -5.958 79 HZ3 LYS 8 2HZ LYS 8 4.393 12.193 -5.040 80 H CYS 9 H CYS 9 11.277 8.903 -4.541 81 HA CYS 9 HA CYS 9 14.165 9.474 -4.636 82 HB2 CYS 9 2HB CYS 9 12.572 8.113 -2.453 83 HB3 CYS 9 3HB CYS 9 14.312 8.372 -2.433 84 HG CYS 9 HG CYS 9 11.826 10.664 -2.063 85 HA PRO 10 HA PRO 10 13.500 5.395 -6.744 86 HB2 PRO 10 2HB PRO 10 15.226 5.902 -8.777 87 HB3 PRO 10 3HB PRO 10 13.526 6.385 -8.817 88 HG2 PRO 10 2HG PRO 10 15.944 8.019 -8.150 89 HG3 PRO 10 3HG PRO 10 14.543 8.451 -9.147 90 HD2 PRO 10 2HD PRO 10 14.815 9.273 -6.581 91 HD3 PRO 10 3HD PRO 10 13.233 8.941 -7.315 92 H LEU 11 H LEU 11 16.134 7.144 -5.420 93 HA LEU 11 HA LEU 11 18.266 5.388 -5.883 94 HB2 LEU 11 2HB LEU 11 18.429 7.695 -4.956 95 HB3 LEU 11 3HB LEU 11 17.811 7.073 -3.427 96 HG LEU 11 HG LEU 11 20.175 5.655 -4.410 97 HD11 LEU 11 1HD1 LEU 11 20.449 8.537 -3.570 98 HD12 LEU 11 2HD1 LEU 11 20.676 7.934 -5.211 99 HD13 LEU 11 3HD1 LEU 11 21.758 7.409 -3.922 100 HD21 LEU 11 3HD2 LEU 11 18.970 5.602 -2.121 101 HD22 LEU 11 1HD2 LEU 11 19.864 7.088 -1.801 102 HD23 LEU 11 2HD2 LEU 11 20.734 5.597 -2.161 103 H PHE 12 H PHE 12 15.585 5.218 -3.686 104 HA PHE 12 HA PHE 12 16.706 2.736 -2.558 105 HB2 PHE 12 2HB PHE 12 16.037 4.978 -1.132 106 HB3 PHE 12 3HB PHE 12 14.559 4.028 -1.021 107 HD1 PHE 12 HD1 PHE 12 17.052 4.837 0.935 108 HD2 PHE 12 HD2 PHE 12 15.560 1.296 -0.897 109 HE1 PHE 12 HE1 PHE 12 18.062 3.487 2.728 110 HE2 PHE 12 HE2 PHE 12 16.566 -0.058 0.893 111 HZ PHE 12 HZ PHE 12 17.818 1.037 2.709 112 H GLY 13 H GLY 13 15.021 3.229 -4.977 113 HA2 GLY 13 2HA GLY 13 12.628 1.695 -4.176 114 HA3 GLY 13 3HA GLY 13 12.701 2.762 -5.570 115 H LYS 14 H LYS 14 15.272 0.542 -4.727 116 HA LYS 14 HA LYS 14 14.580 -1.062 -7.102 117 HB2 LYS 14 2HB LYS 14 17.082 -1.540 -7.184 118 HB3 LYS 14 3HB LYS 14 16.572 0.079 -7.643 119 HG2 LYS 14 2HG LYS 14 17.818 0.997 -6.057 120 HG3 LYS 14 3HG LYS 14 17.126 -0.055 -4.820 121 HD2 LYS 14 2HD LYS 14 18.692 -1.829 -5.462 122 HD3 LYS 14 3HD LYS 14 19.387 -0.768 -6.690 123 HE2 LYS 14 2HE LYS 14 20.735 -0.833 -4.633 124 HE3 LYS 14 3HE LYS 14 20.120 0.782 -4.982 125 HZ1 LYS 14 3HZ LYS 14 18.836 -1.100 -3.080 126 HZ2 LYS 14 1HZ LYS 14 18.448 0.529 -3.325 127 HZ3 LYS 14 2HZ LYS 14 19.927 0.109 -2.620 128 H GLY 15 H GLY 15 13.840 -1.424 -4.233 129 HA2 GLY 15 2HA GLY 15 15.356 -3.782 -3.443 130 HA3 GLY 15 3HA GLY 15 14.075 -3.009 -2.522 131 H GLY 16 H GLY 16 11.887 -3.072 -3.919 132 HA2 GLY 16 2HA GLY 16 10.469 -4.425 -5.287 133 HA3 GLY 16 3HA GLY 16 11.591 -5.761 -5.070 Start of MODEL 13 1 H1 VAL 1 H VAL 1 3.474 5.449 -1.530 2 HA VAL 1 HA VAL 1 5.536 6.832 -1.383 3 HB VAL 1 HB VAL 1 5.914 5.290 1.187 4 HG11 VAL 1 1HG1 VAL 1 8.013 5.750 0.092 5 HG12 VAL 1 2HG1 VAL 1 7.562 7.441 -0.138 6 HG13 VAL 1 3HG1 VAL 1 7.841 6.814 1.487 7 HG21 VAL 1 3HG2 VAL 1 4.314 6.856 1.773 8 HG22 VAL 1 1HG2 VAL 1 5.815 7.717 2.111 9 HG23 VAL 1 2HG2 VAL 1 4.919 8.056 0.631 10 H ALA 2 H ALA 2 4.741 3.498 -0.804 11 HA ALA 2 HA ALA 2 7.260 2.476 -1.767 12 HB1 ALA 2 1HB ALA 2 4.909 0.692 -1.657 13 HB2 ALA 2 2HB ALA 2 6.551 0.448 -1.061 14 HB3 ALA 2 3HB ALA 2 5.413 1.426 -0.135 15 H ARG 3 H ARG 3 4.166 3.304 -3.100 16 HA ARG 3 HA ARG 3 4.049 1.766 -5.387 17 HB2 ARG 3 2HB ARG 3 2.256 3.283 -4.704 18 HB3 ARG 3 3HB ARG 3 3.273 4.670 -5.068 19 HG2 ARG 3 2HG ARG 3 1.589 4.199 -6.809 20 HG3 ARG 3 3HG ARG 3 3.248 4.145 -7.410 21 HD2 ARG 3 2HD ARG 3 3.043 2.014 -8.026 22 HD3 ARG 3 3HD ARG 3 2.376 1.557 -6.459 23 HE ARG 3 HE ARG 3 0.915 2.117 -8.872 24 HH11 ARG 3 1HH1 ARG 3 0.773 1.986 -5.396 25 HH12 ARG 3 2HH1 ARG 3 -0.944 1.762 -5.344 26 HH21 ARG 3 2HH2 ARG 3 -2.149 1.668 -7.291 27 HH22 ARG 3 1HH2 ARG 3 -1.347 1.822 -8.817 28 H GLY 4 H GLY 4 5.941 4.680 -4.773 29 HA2 GLY 4 2HA GLY 4 7.110 4.451 -7.467 30 HA3 GLY 4 3HA GLY 4 7.151 5.893 -6.464 31 H TRP 5 H TRP 5 8.094 2.478 -6.042 32 HA TRP 5 HA TRP 5 10.199 2.943 -4.290 33 HB2 TRP 5 2HB TRP 5 9.434 0.721 -6.113 34 HB3 TRP 5 3HB TRP 5 11.077 0.713 -5.479 35 HD1 TRP 5 HD1 TRP 5 10.672 1.582 -2.534 36 HE1 TRP 5 HE1 TRP 5 9.375 0.103 -0.875 37 HE3 TRP 5 HE3 TRP 5 7.957 -1.186 -5.866 38 HZ2 TRP 5 HZ2 TRP 5 7.455 -1.965 -0.966 39 HZ3 TRP 5 HZ3 TRP 5 6.414 -2.894 -4.998 40 HH2 TRP 5 HH2 TRP 5 6.170 -3.274 -2.599 41 H LYS 6 H LYS 6 10.038 3.317 -7.734 42 HA LYS 6 HA LYS 6 12.929 3.882 -7.810 43 HB2 LYS 6 2HB LYS 6 12.807 3.473 -10.229 44 HB3 LYS 6 3HB LYS 6 12.272 2.072 -9.311 45 HG2 LYS 6 2HG LYS 6 10.575 2.090 -10.778 46 HG3 LYS 6 3HG LYS 6 9.914 3.314 -9.692 47 HD2 LYS 6 2HD LYS 6 10.004 4.850 -11.299 48 HD3 LYS 6 3HD LYS 6 11.724 4.540 -11.549 49 HE2 LYS 6 2HE LYS 6 11.092 2.594 -12.973 50 HE3 LYS 6 3HE LYS 6 9.406 3.087 -12.818 51 HZ1 LYS 6 3HZ LYS 6 10.832 5.330 -13.611 52 HZ2 LYS 6 1HZ LYS 6 9.725 4.436 -14.526 53 HZ3 LYS 6 2HZ LYS 6 11.373 4.060 -14.588 54 H ARG 7 H ARG 7 9.732 5.104 -8.499 55 HA ARG 7 HA ARG 7 10.642 7.459 -9.865 56 HB2 ARG 7 2HB ARG 7 8.078 6.260 -9.129 57 HB3 ARG 7 3HB ARG 7 8.085 8.013 -8.987 58 HG2 ARG 7 2HG ARG 7 8.616 8.293 -11.271 59 HG3 ARG 7 3HG ARG 7 9.008 6.583 -11.461 60 HD2 ARG 7 2HD ARG 7 6.866 6.928 -12.435 61 HD3 ARG 7 3HD ARG 7 6.617 6.070 -10.914 62 HE ARG 7 HE ARG 7 6.411 8.877 -10.549 63 HH11 ARG 7 1HH1 ARG 7 4.692 6.116 -11.790 64 HH12 ARG 7 2HH1 ARG 7 3.126 6.805 -11.517 65 HH21 ARG 7 2HH2 ARG 7 2.935 8.897 -10.605 66 HH22 ARG 7 1HH2 ARG 7 4.354 9.795 -10.185 67 H LYS 8 H LYS 8 8.651 7.319 -6.924 68 HA LYS 8 HA LYS 8 9.530 9.835 -5.989 69 HB2 LYS 8 2HB LYS 8 8.192 7.575 -4.491 70 HB3 LYS 8 3HB LYS 8 8.373 9.217 -3.888 71 HG2 LYS 8 2HG LYS 8 6.704 10.020 -5.173 72 HG3 LYS 8 3HG LYS 8 7.076 8.942 -6.521 73 HD2 LYS 8 2HD LYS 8 6.168 7.071 -5.014 74 HD3 LYS 8 3HD LYS 8 5.480 8.374 -4.042 75 HE2 LYS 8 2HE LYS 8 4.182 9.158 -5.889 76 HE3 LYS 8 3HE LYS 8 5.006 8.067 -7.001 77 HZ1 LYS 8 3HZ LYS 8 2.678 7.576 -5.604 78 HZ2 LYS 8 1HZ LYS 8 3.856 6.618 -4.856 79 HZ3 LYS 8 2HZ LYS 8 3.572 6.468 -6.517 80 H CYS 9 H CYS 9 10.762 6.618 -5.609 81 HA CYS 9 HA CYS 9 12.756 7.619 -3.685 82 HB2 CYS 9 2HB CYS 9 11.722 4.807 -4.094 83 HB3 CYS 9 3HB CYS 9 13.054 5.229 -3.025 84 HG CYS 9 HG CYS 9 9.904 5.111 -2.325 85 HA PRO 10 HA PRO 10 14.949 6.743 -7.685 86 HB2 PRO 10 2HB PRO 10 16.439 9.012 -7.635 87 HB3 PRO 10 3HB PRO 10 14.814 8.945 -8.327 88 HG2 PRO 10 2HG PRO 10 15.687 9.921 -5.635 89 HG3 PRO 10 3HG PRO 10 14.517 10.636 -6.759 90 HD2 PRO 10 2HD PRO 10 13.765 9.177 -4.606 91 HD3 PRO 10 3HD PRO 10 12.833 9.200 -6.117 92 H LEU 11 H LEU 11 15.853 7.447 -4.426 93 HA LEU 11 HA LEU 11 18.646 6.767 -4.827 94 HB2 LEU 11 2HB LEU 11 17.015 7.538 -2.426 95 HB3 LEU 11 3HB LEU 11 18.681 6.981 -2.286 96 HG LEU 11 HG LEU 11 17.808 9.407 -3.853 97 HD11 LEU 11 1HD1 LEU 11 18.397 10.753 -2.066 98 HD12 LEU 11 2HD1 LEU 11 19.325 9.479 -1.277 99 HD13 LEU 11 3HD1 LEU 11 17.563 9.414 -1.278 100 HD21 LEU 11 3HD2 LEU 11 20.526 9.482 -3.109 101 HD22 LEU 11 1HD2 LEU 11 19.844 9.336 -4.729 102 HD23 LEU 11 2HD2 LEU 11 20.227 7.887 -3.800 103 H PHE 12 H PHE 12 15.701 5.282 -3.697 104 HA PHE 12 HA PHE 12 17.198 2.842 -3.011 105 HB2 PHE 12 2HB PHE 12 14.409 3.681 -2.190 106 HB3 PHE 12 3HB PHE 12 15.191 2.170 -1.735 107 HD1 PHE 12 HD1 PHE 12 17.846 2.909 -0.969 108 HD2 PHE 12 HD2 PHE 12 14.196 5.001 -0.325 109 HE1 PHE 12 HE1 PHE 12 18.828 4.009 1.000 110 HE2 PHE 12 HE2 PHE 12 15.172 6.105 1.645 111 HZ PHE 12 HZ PHE 12 17.492 5.611 2.309 112 H GLY 13 H GLY 13 16.470 3.721 -5.718 113 HA2 GLY 13 2HA GLY 13 14.441 1.729 -6.463 114 HA3 GLY 13 3HA GLY 13 15.000 3.050 -7.478 115 H LYS 14 H LYS 14 17.257 1.074 -5.715 116 HA LYS 14 HA LYS 14 18.198 -0.029 -8.274 117 HB2 LYS 14 2HB LYS 14 20.341 -0.431 -6.971 118 HB3 LYS 14 3HB LYS 14 19.925 1.249 -7.282 119 HG2 LYS 14 2HG LYS 14 19.848 1.720 -5.114 120 HG3 LYS 14 3HG LYS 14 18.819 0.327 -4.774 121 HD2 LYS 14 2HD LYS 14 20.579 -1.013 -4.234 122 HD3 LYS 14 3HD LYS 14 21.676 -0.209 -5.359 123 HE2 LYS 14 2HE LYS 14 21.481 1.796 -3.733 124 HE3 LYS 14 3HE LYS 14 20.878 0.600 -2.587 125 HZ1 LYS 14 3HZ LYS 14 22.960 0.038 -2.160 126 HZ2 LYS 14 1HZ LYS 14 23.536 1.146 -3.302 127 HZ3 LYS 14 2HZ LYS 14 23.179 -0.441 -3.768 128 H GLY 15 H GLY 15 17.143 -0.849 -5.047 129 HA2 GLY 15 2HA GLY 15 17.649 -3.698 -5.586 130 HA3 GLY 15 3HA GLY 15 17.339 -3.000 -4.003 131 H GLY 16 H GLY 16 15.259 -2.782 -3.280 132 HA2 GLY 16 2HA GLY 16 12.992 -3.004 -5.011 133 HA3 GLY 16 3HA GLY 16 13.300 -4.503 -4.148 Start of MODEL 14 1 H1 VAL 1 H VAL 1 3.939 -2.146 -2.547 2 HA VAL 1 HA VAL 1 2.811 -0.642 -0.994 3 HB VAL 1 HB VAL 1 5.215 -1.117 0.771 4 HG11 VAL 1 1HG1 VAL 1 4.349 1.053 1.160 5 HG12 VAL 1 2HG1 VAL 1 2.683 0.474 1.108 6 HG13 VAL 1 3HG1 VAL 1 3.730 0.032 2.457 7 HG21 VAL 1 3HG2 VAL 1 3.889 -3.133 0.705 8 HG22 VAL 1 1HG2 VAL 1 3.636 -2.319 2.249 9 HG23 VAL 1 2HG2 VAL 1 2.412 -2.211 0.984 10 H ALA 2 H ALA 2 6.153 -0.927 -1.944 11 HA ALA 2 HA ALA 2 6.406 1.991 -2.116 12 HB1 ALA 2 1HB ALA 2 8.418 -0.235 -2.124 13 HB2 ALA 2 2HB ALA 2 8.837 1.399 -2.640 14 HB3 ALA 2 3HB ALA 2 8.264 1.113 -0.997 15 H ARG 3 H ARG 3 4.698 1.404 -3.950 16 HA ARG 3 HA ARG 3 5.756 0.440 -6.413 17 HB2 ARG 3 2HB ARG 3 3.247 1.964 -5.721 18 HB3 ARG 3 3HB ARG 3 3.633 1.462 -7.361 19 HG2 ARG 3 2HG ARG 3 3.315 -0.392 -5.010 20 HG3 ARG 3 3HG ARG 3 2.089 -0.078 -6.240 21 HD2 ARG 3 2HD ARG 3 4.096 -0.753 -7.848 22 HD3 ARG 3 3HD ARG 3 4.607 -1.639 -6.411 23 HE ARG 3 HE ARG 3 2.873 -3.103 -6.734 24 HH11 ARG 3 1HH1 ARG 3 2.374 -0.274 -8.701 25 HH12 ARG 3 2HH1 ARG 3 1.037 -0.953 -9.568 26 HH21 ARG 3 2HH2 ARG 3 0.320 -3.076 -9.094 27 HH22 ARG 3 1HH2 ARG 3 1.113 -4.008 -7.869 28 H GLY 4 H GLY 4 4.355 3.667 -5.881 29 HA2 GLY 4 2HA GLY 4 6.202 4.762 -7.847 30 HA3 GLY 4 3HA GLY 4 4.833 5.594 -7.125 31 H TRP 5 H TRP 5 7.676 3.989 -5.705 32 HA TRP 5 HA TRP 5 8.137 6.410 -4.116 33 HB2 TRP 5 2HB TRP 5 7.889 4.061 -3.078 34 HB3 TRP 5 3HB TRP 5 9.512 3.766 -3.696 35 HD1 TRP 5 HD1 TRP 5 11.429 4.424 -2.127 36 HE1 TRP 5 HE1 TRP 5 11.658 5.869 -0.009 37 HE3 TRP 5 HE3 TRP 5 6.700 6.360 -1.950 38 HZ2 TRP 5 HZ2 TRP 5 10.047 7.600 1.532 39 HZ3 TRP 5 HZ3 TRP 5 6.125 7.903 -0.122 40 HH2 TRP 5 HH2 TRP 5 7.765 8.508 1.583 41 H LYS 6 H LYS 6 9.587 4.343 -6.520 42 HA LYS 6 HA LYS 6 12.248 5.202 -6.338 43 HB2 LYS 6 2HB LYS 6 12.491 4.376 -8.628 44 HB3 LYS 6 3HB LYS 6 11.565 3.247 -7.648 45 HG2 LYS 6 2HG LYS 6 9.693 4.974 -8.825 46 HG3 LYS 6 3HG LYS 6 10.843 4.543 -10.094 47 HD2 LYS 6 2HD LYS 6 10.316 2.307 -9.998 48 HD3 LYS 6 3HD LYS 6 9.788 2.394 -8.316 49 HE2 LYS 6 2HE LYS 6 7.879 2.042 -9.758 50 HE3 LYS 6 3HE LYS 6 7.792 3.648 -9.035 51 HZ1 LYS 6 3HZ LYS 6 7.298 3.432 -11.509 52 HZ2 LYS 6 1HZ LYS 6 8.965 3.232 -11.714 53 HZ3 LYS 6 2HZ LYS 6 8.362 4.659 -11.036 54 H ARG 7 H ARG 7 9.431 6.716 -7.681 55 HA ARG 7 HA ARG 7 10.534 8.500 -9.491 56 HB2 ARG 7 2HB ARG 7 8.151 8.666 -7.670 57 HB3 ARG 7 3HB ARG 7 8.590 10.023 -8.699 58 HG2 ARG 7 2HG ARG 7 8.152 7.257 -9.780 59 HG3 ARG 7 3HG ARG 7 6.847 8.431 -9.599 60 HD2 ARG 7 2HD ARG 7 9.291 9.360 -10.981 61 HD3 ARG 7 3HD ARG 7 8.302 8.177 -11.836 62 HE ARG 7 HE ARG 7 7.676 10.928 -11.365 63 HH11 ARG 7 1HH1 ARG 7 6.314 7.762 -11.853 64 HH12 ARG 7 2HH1 ARG 7 4.810 8.361 -12.472 65 HH21 ARG 7 2HH2 ARG 7 4.463 10.618 -12.657 66 HH22 ARG 7 1HH2 ARG 7 5.701 11.729 -12.178 67 H LYS 8 H LYS 8 9.489 9.564 -6.264 68 HA LYS 8 HA LYS 8 11.276 11.780 -6.276 69 HB2 LYS 8 2HB LYS 8 9.939 10.660 -3.822 70 HB3 LYS 8 3HB LYS 8 10.382 12.328 -4.158 71 HG2 LYS 8 2HG LYS 8 8.166 10.743 -5.435 72 HG3 LYS 8 3HG LYS 8 8.008 12.112 -4.331 73 HD2 LYS 8 2HD LYS 8 9.074 13.565 -5.994 74 HD3 LYS 8 3HD LYS 8 9.216 12.194 -7.097 75 HE2 LYS 8 2HE LYS 8 6.812 11.991 -7.212 76 HE3 LYS 8 3HE LYS 8 6.614 13.258 -6.003 77 HZ1 LYS 8 3HZ LYS 8 6.947 14.861 -7.512 78 HZ2 LYS 8 1HZ LYS 8 6.551 13.670 -8.647 79 HZ3 LYS 8 2HZ LYS 8 8.173 14.017 -8.317 80 H CYS 9 H CYS 9 11.496 8.502 -5.192 81 HA CYS 9 HA CYS 9 14.086 9.100 -3.920 82 HB2 CYS 9 2HB CYS 9 12.093 8.014 -2.593 83 HB3 CYS 9 3HB CYS 9 12.610 6.545 -3.412 84 HG CYS 9 HG CYS 9 15.354 7.683 -2.300 85 HA PRO 10 HA PRO 10 14.907 6.668 -7.796 86 HB2 PRO 10 2HB PRO 10 16.970 8.227 -8.622 87 HB3 PRO 10 3HB PRO 10 15.283 8.578 -9.015 88 HG2 PRO 10 2HG PRO 10 17.015 9.759 -6.878 89 HG3 PRO 10 3HG PRO 10 15.879 10.569 -7.972 90 HD2 PRO 10 2HD PRO 10 15.257 9.977 -5.404 91 HD3 PRO 10 3HD PRO 10 14.045 9.989 -6.701 92 H LEU 11 H LEU 11 16.879 7.877 -5.174 93 HA LEU 11 HA LEU 11 19.214 6.378 -5.699 94 HB2 LEU 11 2HB LEU 11 18.084 7.570 -3.181 95 HB3 LEU 11 3HB LEU 11 19.629 6.723 -3.221 96 HG LEU 11 HG LEU 11 18.985 9.197 -4.824 97 HD11 LEU 11 1HD1 LEU 11 19.023 9.937 -2.611 98 HD12 LEU 11 2HD1 LEU 11 20.670 10.203 -3.181 99 HD13 LEU 11 3HD1 LEU 11 20.305 8.814 -2.159 100 HD21 LEU 11 3HD2 LEU 11 20.768 8.543 -5.994 101 HD22 LEU 11 1HD2 LEU 11 21.181 7.289 -4.825 102 HD23 LEU 11 2HD2 LEU 11 21.715 8.950 -4.562 103 H PHE 12 H PHE 12 16.202 5.620 -4.101 104 HA PHE 12 HA PHE 12 17.233 2.930 -3.485 105 HB2 PHE 12 2HB PHE 12 16.288 4.501 -1.627 106 HB3 PHE 12 3HB PHE 12 14.719 4.041 -2.281 107 HD1 PHE 12 HD1 PHE 12 13.655 2.289 -1.266 108 HD2 PHE 12 HD2 PHE 12 17.910 2.394 -1.258 109 HE1 PHE 12 HE1 PHE 12 13.700 0.227 0.076 110 HE2 PHE 12 HE2 PHE 12 17.962 0.332 0.083 111 HZ PHE 12 HZ PHE 12 15.855 -0.755 0.751 112 H GLY 13 H GLY 13 16.505 3.438 -6.088 113 HA2 GLY 13 2HA GLY 13 13.812 2.273 -6.353 114 HA3 GLY 13 3HA GLY 13 14.662 3.158 -7.611 115 H LYS 14 H LYS 14 16.326 0.780 -5.701 116 HA LYS 14 HA LYS 14 16.806 -0.792 -8.095 117 HB2 LYS 14 2HB LYS 14 18.498 -1.926 -6.813 118 HB3 LYS 14 3HB LYS 14 18.650 -0.198 -6.526 119 HG2 LYS 14 2HG LYS 14 17.076 -0.786 -4.474 120 HG3 LYS 14 3HG LYS 14 17.833 -2.367 -4.682 121 HD2 LYS 14 2HD LYS 14 19.526 0.096 -4.623 122 HD3 LYS 14 3HD LYS 14 18.927 -0.593 -3.113 123 HE2 LYS 14 2HE LYS 14 19.862 -2.815 -4.320 124 HE3 LYS 14 3HE LYS 14 20.957 -1.611 -4.997 125 HZ1 LYS 14 3HZ LYS 14 21.039 -0.907 -2.457 126 HZ2 LYS 14 1HZ LYS 14 22.078 -2.073 -3.108 127 HZ3 LYS 14 2HZ LYS 14 20.700 -2.552 -2.252 128 H GLY 15 H GLY 15 15.070 -1.032 -5.065 129 HA2 GLY 15 2HA GLY 15 14.569 -3.835 -5.198 130 HA3 GLY 15 3HA GLY 15 13.711 -2.675 -4.195 131 H GLY 16 H GLY 16 11.727 -1.962 -4.810 132 HA2 GLY 16 2HA GLY 16 10.358 -1.461 -6.907 133 HA3 GLY 16 3HA GLY 16 10.661 -3.149 -7.291 Start of MODEL 15 1 H1 VAL 1 H VAL 1 1.513 0.013 -2.349 2 HA VAL 1 HA VAL 1 1.169 2.140 -1.602 3 HB VAL 1 HB VAL 1 3.390 1.486 0.339 4 HG11 VAL 1 1HG1 VAL 1 3.035 3.653 0.851 5 HG12 VAL 1 2HG1 VAL 1 1.449 3.687 0.079 6 HG13 VAL 1 3HG1 VAL 1 1.628 3.011 1.699 7 HG21 VAL 1 3HG2 VAL 1 1.232 0.988 1.779 8 HG22 VAL 1 1HG2 VAL 1 0.546 0.629 0.194 9 HG23 VAL 1 2HG2 VAL 1 1.965 -0.252 0.762 10 H ALA 2 H ALA 2 4.459 1.263 -2.338 11 HA ALA 2 HA ALA 2 5.080 4.084 -2.916 12 HB1 ALA 2 1HB ALA 2 6.697 3.402 -1.406 13 HB2 ALA 2 2HB ALA 2 6.798 1.779 -2.090 14 HB3 ALA 2 3HB ALA 2 7.493 3.147 -2.959 15 H ARG 3 H ARG 3 3.702 3.535 -4.890 16 HA ARG 3 HA ARG 3 4.759 1.832 -6.900 17 HB2 ARG 3 2HB ARG 3 2.959 4.190 -7.419 18 HB3 ARG 3 3HB ARG 3 3.058 2.675 -8.308 19 HG2 ARG 3 2HG ARG 3 1.924 3.096 -5.554 20 HG3 ARG 3 3HG ARG 3 1.043 2.682 -7.027 21 HD2 ARG 3 2HD ARG 3 2.253 0.547 -7.130 22 HD3 ARG 3 3HD ARG 3 3.099 0.964 -5.641 23 HE ARG 3 HE ARG 3 0.283 1.072 -5.288 24 HH11 ARG 3 1HH1 ARG 3 2.961 -1.137 -5.548 25 HH12 ARG 3 2HH1 ARG 3 2.196 -2.379 -4.614 26 HH21 ARG 3 2HH2 ARG 3 0.093 -2.048 -3.767 27 HH22 ARG 3 1HH2 ARG 3 -0.735 -0.556 -4.057 28 H GLY 4 H GLY 4 5.407 5.095 -5.941 29 HA2 GLY 4 2HA GLY 4 7.005 5.516 -8.385 30 HA3 GLY 4 3HA GLY 4 6.391 6.800 -7.354 31 H TRP 5 H TRP 5 8.012 3.836 -6.322 32 HA TRP 5 HA TRP 5 9.673 5.084 -4.475 33 HB2 TRP 5 2HB TRP 5 9.153 2.481 -5.206 34 HB3 TRP 5 3HB TRP 5 10.839 2.678 -5.675 35 HD1 TRP 5 HD1 TRP 5 11.909 4.445 -3.314 36 HE1 TRP 5 HE1 TRP 5 12.086 3.471 -0.939 37 HE3 TRP 5 HE3 TRP 5 8.563 0.605 -3.760 38 HZ2 TRP 5 HZ2 TRP 5 10.957 1.354 0.549 39 HZ3 TRP 5 HZ3 TRP 5 8.169 -0.848 -1.814 40 HH2 TRP 5 HH2 TRP 5 9.343 -0.480 0.295 41 H LYS 6 H LYS 6 10.005 4.748 -7.901 42 HA LYS 6 HA LYS 6 12.793 5.657 -7.797 43 HB2 LYS 6 2HB LYS 6 11.266 4.834 -10.263 44 HB3 LYS 6 3HB LYS 6 13.009 4.948 -10.057 45 HG2 LYS 6 2HG LYS 6 13.034 2.783 -9.605 46 HG3 LYS 6 3HG LYS 6 12.145 3.127 -8.120 47 HD2 LYS 6 2HD LYS 6 10.852 1.514 -9.229 48 HD3 LYS 6 3HD LYS 6 10.041 3.045 -9.567 49 HE2 LYS 6 2HE LYS 6 11.869 2.812 -11.621 50 HE3 LYS 6 3HE LYS 6 11.309 1.158 -11.384 51 HZ1 LYS 6 3HZ LYS 6 9.063 1.854 -11.700 52 HZ2 LYS 6 1HZ LYS 6 9.974 2.450 -12.995 53 HZ3 LYS 6 2HZ LYS 6 9.504 3.486 -11.744 54 H ARG 7 H ARG 7 9.588 6.685 -8.565 55 HA ARG 7 HA ARG 7 10.381 8.944 -10.160 56 HB2 ARG 7 2HB ARG 7 7.806 7.907 -9.055 57 HB3 ARG 7 3HB ARG 7 7.885 9.582 -9.584 58 HG2 ARG 7 2HG ARG 7 7.949 9.031 -11.760 59 HG3 ARG 7 3HG ARG 7 8.970 7.618 -11.480 60 HD2 ARG 7 2HD ARG 7 7.108 6.300 -10.816 61 HD3 ARG 7 3HD ARG 7 6.055 7.713 -10.740 62 HE ARG 7 HE ARG 7 6.725 6.183 -13.067 63 HH11 ARG 7 1HH1 ARG 7 5.770 9.327 -11.917 64 HH12 ARG 7 2HH1 ARG 7 5.053 9.803 -13.420 65 HH21 ARG 7 2HH2 ARG 7 5.060 8.364 -15.202 66 HH22 ARG 7 1HH2 ARG 7 5.784 6.798 -15.052 67 H LYS 8 H LYS 8 9.885 8.278 -6.799 68 HA LYS 8 HA LYS 8 10.060 11.143 -6.161 69 HB2 LYS 8 2HB LYS 8 9.172 8.792 -4.483 70 HB3 LYS 8 3HB LYS 8 9.348 10.429 -3.867 71 HG2 LYS 8 2HG LYS 8 7.451 9.527 -6.024 72 HG3 LYS 8 3HG LYS 8 7.032 9.962 -4.366 73 HD2 LYS 8 2HD LYS 8 8.456 12.150 -5.308 74 HD3 LYS 8 3HD LYS 8 7.458 11.660 -6.679 75 HE2 LYS 8 2HE LYS 8 6.454 12.185 -3.883 76 HE3 LYS 8 3HE LYS 8 6.334 13.308 -5.236 77 HZ1 LYS 8 3HZ LYS 8 4.751 10.969 -4.637 78 HZ2 LYS 8 1HZ LYS 8 5.232 11.082 -6.256 79 HZ3 LYS 8 2HZ LYS 8 4.356 12.342 -5.544 80 H CYS 9 H CYS 9 11.067 8.228 -4.391 81 HA CYS 9 HA CYS 9 13.725 9.458 -4.075 82 HB2 CYS 9 2HB CYS 9 13.849 8.064 -1.959 83 HB3 CYS 9 3HB CYS 9 12.702 9.398 -1.931 84 HG CYS 9 HG CYS 9 10.473 7.974 -1.845 85 HA PRO 10 HA PRO 10 14.286 5.539 -6.481 86 HB2 PRO 10 2HB PRO 10 16.106 6.589 -8.199 87 HB3 PRO 10 3HB PRO 10 14.362 6.701 -8.461 88 HG2 PRO 10 2HG PRO 10 16.245 8.742 -7.343 89 HG3 PRO 10 3HG PRO 10 14.925 8.957 -8.508 90 HD2 PRO 10 2HD PRO 10 14.668 9.576 -5.884 91 HD3 PRO 10 3HD PRO 10 13.310 8.985 -6.864 92 H LEU 11 H LEU 11 16.221 7.635 -4.611 93 HA LEU 11 HA LEU 11 18.778 6.629 -4.853 94 HB2 LEU 11 2HB LEU 11 17.401 7.470 -2.307 95 HB3 LEU 11 3HB LEU 11 19.142 7.355 -2.551 96 HG LEU 11 HG LEU 11 17.327 9.272 -4.011 97 HD11 LEU 11 1HD1 LEU 11 18.588 10.954 -2.570 98 HD12 LEU 11 2HD1 LEU 11 19.013 9.581 -1.548 99 HD13 LEU 11 3HD1 LEU 11 17.319 10.010 -1.789 100 HD21 LEU 11 3HD2 LEU 11 20.027 10.088 -3.981 101 HD22 LEU 11 1HD2 LEU 11 19.054 9.587 -5.364 102 HD23 LEU 11 2HD2 LEU 11 20.003 8.395 -4.475 103 H PHE 12 H PHE 12 16.024 5.283 -3.137 104 HA PHE 12 HA PHE 12 17.642 2.890 -2.549 105 HB2 PHE 12 2HB PHE 12 16.767 4.312 -0.574 106 HB3 PHE 12 3HB PHE 12 15.188 3.651 -0.984 107 HD1 PHE 12 HD1 PHE 12 18.677 2.434 -0.448 108 HD2 PHE 12 HD2 PHE 12 14.515 1.795 0.173 109 HE1 PHE 12 HE1 PHE 12 19.186 0.419 0.870 110 HE2 PHE 12 HE2 PHE 12 15.017 -0.220 1.492 111 HZ PHE 12 HZ PHE 12 17.355 -0.910 1.843 112 H GLY 13 H GLY 13 15.821 3.755 -4.853 113 HA2 GLY 13 2HA GLY 13 13.833 1.591 -4.696 114 HA3 GLY 13 3HA GLY 13 13.782 2.943 -5.817 115 H LYS 14 H LYS 14 16.796 1.334 -5.316 116 HA LYS 14 HA LYS 14 16.713 0.372 -8.070 117 HB2 LYS 14 2HB LYS 14 19.154 -0.018 -7.731 118 HB3 LYS 14 3HB LYS 14 18.663 1.654 -7.491 119 HG2 LYS 14 2HG LYS 14 19.595 1.637 -5.488 120 HG3 LYS 14 3HG LYS 14 18.502 0.346 -4.986 121 HD2 LYS 14 2HD LYS 14 20.074 -1.260 -5.240 122 HD3 LYS 14 3HD LYS 14 20.788 -0.484 -6.656 123 HE2 LYS 14 2HE LYS 14 21.910 1.131 -5.232 124 HE3 LYS 14 3HE LYS 14 21.144 0.436 -3.804 125 HZ1 LYS 14 3HZ LYS 14 22.301 -1.723 -4.751 126 HZ2 LYS 14 1HZ LYS 14 23.116 -0.647 -3.731 127 HZ3 LYS 14 2HZ LYS 14 23.365 -0.580 -5.402 128 H GLY 15 H GLY 15 16.769 -0.813 -4.796 129 HA2 GLY 15 2HA GLY 15 17.351 -3.541 -5.616 130 HA3 GLY 15 3HA GLY 15 17.058 -2.984 -3.976 131 H GLY 16 H GLY 16 14.574 -1.645 -4.555 132 HA2 GLY 16 2HA GLY 16 12.518 -2.655 -5.783 133 HA3 GLY 16 3HA GLY 16 12.878 -4.035 -4.755 Start of MODEL 16 1 H1 VAL 1 H VAL 1 3.974 -2.022 -2.289 2 HA VAL 1 HA VAL 1 4.676 -0.399 -0.844 3 HB VAL 1 HB VAL 1 7.214 -2.039 -0.880 4 HG11 VAL 1 1HG1 VAL 1 7.588 0.115 0.142 5 HG12 VAL 1 2HG1 VAL 1 6.144 -0.072 1.141 6 HG13 VAL 1 3HG1 VAL 1 7.536 -1.126 1.394 7 HG21 VAL 1 3HG2 VAL 1 5.985 -2.806 1.360 8 HG22 VAL 1 1HG2 VAL 1 4.564 -2.423 0.388 9 HG23 VAL 1 2HG2 VAL 1 5.730 -3.615 -0.186 10 H ALA 2 H ALA 2 6.735 -1.033 -3.576 11 HA ALA 2 HA ALA 2 7.779 1.719 -3.414 12 HB1 ALA 2 1HB ALA 2 9.730 1.046 -4.529 13 HB2 ALA 2 2HB ALA 2 9.418 -0.233 -3.354 14 HB3 ALA 2 3HB ALA 2 9.009 -0.476 -5.052 15 H ARG 3 H ARG 3 5.291 1.608 -4.366 16 HA ARG 3 HA ARG 3 4.945 1.062 -7.088 17 HB2 ARG 3 2HB ARG 3 3.517 2.649 -5.037 18 HB3 ARG 3 3HB ARG 3 3.183 3.071 -6.711 19 HG2 ARG 3 2HG ARG 3 1.953 1.242 -7.042 20 HG3 ARG 3 3HG ARG 3 3.116 0.202 -6.218 21 HD2 ARG 3 2HD ARG 3 1.382 0.026 -4.754 22 HD3 ARG 3 3HD ARG 3 2.160 1.462 -4.090 23 HE ARG 3 HE ARG 3 0.149 2.025 -6.071 24 HH11 ARG 3 1HH1 ARG 3 0.782 1.460 -2.695 25 HH12 ARG 3 2HH1 ARG 3 -0.636 2.296 -2.155 26 HH21 ARG 3 2HH2 ARG 3 -2.060 3.243 -3.679 27 HH22 ARG 3 1HH2 ARG 3 -1.722 3.127 -5.373 28 H GLY 4 H GLY 4 4.957 4.373 -5.785 29 HA2 GLY 4 2HA GLY 4 6.301 5.234 -8.258 30 HA3 GLY 4 3HA GLY 4 5.323 6.261 -7.219 31 H TRP 5 H TRP 5 8.153 4.139 -6.752 32 HA TRP 5 HA TRP 5 9.377 6.282 -5.159 33 HB2 TRP 5 2HB TRP 5 9.218 3.441 -4.840 34 HB3 TRP 5 3HB TRP 5 10.911 3.900 -4.997 35 HD1 TRP 5 HD1 TRP 5 11.855 3.967 -2.618 36 HE1 TRP 5 HE1 TRP 5 11.133 5.013 -0.379 37 HE3 TRP 5 HE3 TRP 5 7.278 5.776 -4.005 38 HZ2 TRP 5 HZ2 TRP 5 8.917 6.418 0.661 39 HZ3 TRP 5 HZ3 TRP 5 5.920 6.958 -2.328 40 HH2 TRP 5 HH2 TRP 5 6.724 7.270 -0.044 41 H LYS 6 H LYS 6 9.802 4.299 -7.996 42 HA LYS 6 HA LYS 6 12.520 4.759 -8.494 43 HB2 LYS 6 2HB LYS 6 11.967 4.231 -10.856 44 HB3 LYS 6 3HB LYS 6 11.306 3.066 -9.717 45 HG2 LYS 6 2HG LYS 6 9.439 3.335 -10.931 46 HG3 LYS 6 3HG LYS 6 9.226 4.764 -9.918 47 HD2 LYS 6 2HD LYS 6 8.911 5.556 -12.096 48 HD3 LYS 6 3HD LYS 6 10.576 6.002 -11.713 49 HE2 LYS 6 2HE LYS 6 10.790 5.103 -13.831 50 HE3 LYS 6 3HE LYS 6 11.162 3.719 -12.804 51 HZ1 LYS 6 3HZ LYS 6 9.191 2.701 -13.302 52 HZ2 LYS 6 1HZ LYS 6 9.488 3.495 -14.766 53 HZ3 LYS 6 2HZ LYS 6 8.387 4.146 -13.660 54 H ARG 7 H ARG 7 9.743 6.794 -8.884 55 HA ARG 7 HA ARG 7 11.302 8.745 -10.423 56 HB2 ARG 7 2HB ARG 7 8.393 8.236 -10.033 57 HB3 ARG 7 3HB ARG 7 8.901 9.892 -10.337 58 HG2 ARG 7 2HG ARG 7 9.390 9.487 -12.491 59 HG3 ARG 7 3HG ARG 7 10.039 7.881 -12.151 60 HD2 ARG 7 2HD ARG 7 8.155 7.287 -13.288 61 HD3 ARG 7 3HD ARG 7 7.495 7.357 -11.654 62 HE ARG 7 HE ARG 7 7.246 9.882 -12.862 63 HH11 ARG 7 1HH1 ARG 7 5.947 6.659 -13.076 64 HH12 ARG 7 2HH1 ARG 7 4.409 7.179 -13.680 65 HH21 ARG 7 2HH2 ARG 7 3.999 9.409 -14.011 66 HH22 ARG 7 1HH2 ARG 7 5.225 10.579 -13.657 67 H LYS 8 H LYS 8 9.823 8.191 -7.325 68 HA LYS 8 HA LYS 8 10.222 10.946 -6.474 69 HB2 LYS 8 2HB LYS 8 9.072 8.514 -5.105 70 HB3 LYS 8 3HB LYS 8 9.314 10.048 -4.279 71 HG2 LYS 8 2HG LYS 8 7.572 9.606 -6.696 72 HG3 LYS 8 3HG LYS 8 7.014 9.792 -5.032 73 HD2 LYS 8 2HD LYS 8 8.481 12.021 -5.248 74 HD3 LYS 8 3HD LYS 8 8.023 11.818 -6.941 75 HE2 LYS 8 2HE LYS 8 5.758 11.376 -5.224 76 HE3 LYS 8 3HE LYS 8 6.496 12.939 -4.875 77 HZ1 LYS 8 3HZ LYS 8 5.186 12.006 -7.318 78 HZ2 LYS 8 1HZ LYS 8 6.473 13.092 -7.483 79 HZ3 LYS 8 2HZ LYS 8 5.118 13.520 -6.566 80 H CYS 9 H CYS 9 10.986 7.910 -4.788 81 HA CYS 9 HA CYS 9 13.655 9.016 -4.206 82 HB2 CYS 9 2HB CYS 9 12.065 7.169 -2.417 83 HB3 CYS 9 3HB CYS 9 13.588 7.962 -2.036 84 HG CYS 9 HG CYS 9 10.561 9.012 -1.477 85 HA PRO 10 HA PRO 10 14.137 5.022 -6.527 86 HB2 PRO 10 2HB PRO 10 16.075 5.950 -8.187 87 HB3 PRO 10 3HB PRO 10 14.350 6.127 -8.531 88 HG2 PRO 10 2HG PRO 10 16.265 8.119 -7.379 89 HG3 PRO 10 3HG PRO 10 15.009 8.356 -8.608 90 HD2 PRO 10 2HD PRO 10 14.661 9.055 -6.015 91 HD3 PRO 10 3HD PRO 10 13.325 8.494 -7.040 92 H LEU 11 H LEU 11 16.187 7.173 -4.773 93 HA LEU 11 HA LEU 11 18.643 5.901 -4.849 94 HB2 LEU 11 2HB LEU 11 17.760 8.057 -3.601 95 HB3 LEU 11 3HB LEU 11 17.657 6.941 -2.242 96 HG LEU 11 HG LEU 11 19.730 8.089 -2.071 97 HD11 LEU 11 1HD1 LEU 11 21.204 6.306 -1.893 98 HD12 LEU 11 2HD1 LEU 11 20.546 5.489 -3.310 99 HD13 LEU 11 3HD1 LEU 11 19.624 5.526 -1.808 100 HD21 LEU 11 3HD2 LEU 11 20.884 7.168 -4.606 101 HD22 LEU 11 1HD2 LEU 11 21.036 8.721 -3.784 102 HD23 LEU 11 2HD2 LEU 11 19.613 8.381 -4.770 103 H PHE 12 H PHE 12 15.894 5.262 -2.692 104 HA PHE 12 HA PHE 12 17.231 2.801 -1.801 105 HB2 PHE 12 2HB PHE 12 16.462 4.452 -0.070 106 HB3 PHE 12 3HB PHE 12 14.808 4.134 -0.581 107 HD1 PHE 12 HD1 PHE 12 13.683 2.860 0.950 108 HD2 PHE 12 HD2 PHE 12 17.770 1.981 0.150 109 HE1 PHE 12 HE1 PHE 12 13.572 0.951 2.498 110 HE2 PHE 12 HE2 PHE 12 17.665 0.070 1.696 111 HZ PHE 12 HZ PHE 12 15.564 -0.447 2.872 112 H GLY 13 H GLY 13 14.466 4.041 -3.499 113 HA2 GLY 13 2HA GLY 13 12.743 1.848 -3.391 114 HA3 GLY 13 3HA GLY 13 12.825 2.999 -4.717 115 H LYS 14 H LYS 14 15.748 2.204 -5.045 116 HA LYS 14 HA LYS 14 15.419 0.417 -7.163 117 HB2 LYS 14 2HB LYS 14 17.858 0.206 -7.149 118 HB3 LYS 14 3HB LYS 14 17.367 1.882 -6.948 119 HG2 LYS 14 2HG LYS 14 18.838 1.893 -5.269 120 HG3 LYS 14 3HG LYS 14 17.570 1.065 -4.362 121 HD2 LYS 14 2HD LYS 14 19.092 -0.544 -4.035 122 HD3 LYS 14 3HD LYS 14 18.787 -0.992 -5.715 123 HE2 LYS 14 2HE LYS 14 20.656 0.248 -6.477 124 HE3 LYS 14 3HE LYS 14 20.844 1.056 -4.921 125 HZ1 LYS 14 3HZ LYS 14 21.088 -1.496 -4.199 126 HZ2 LYS 14 1HZ LYS 14 22.400 -0.515 -4.620 127 HZ3 LYS 14 2HZ LYS 14 21.734 -1.572 -5.760 128 H GLY 15 H GLY 15 15.879 -0.144 -3.759 129 HA2 GLY 15 2HA GLY 15 16.598 -2.918 -4.049 130 HA3 GLY 15 3HA GLY 15 16.205 -2.092 -2.549 131 H GLY 16 H GLY 16 14.086 -2.066 -1.805 132 HA2 GLY 16 2HA GLY 16 12.505 -4.302 -2.470 133 HA3 GLY 16 3HA GLY 16 11.996 -2.952 -1.465 Start of MODEL 17 1 H1 VAL 1 H VAL 1 3.704 2.679 0.014 2 HA VAL 1 HA VAL 1 4.074 0.655 -1.103 3 HB VAL 1 HB VAL 1 3.934 0.576 -3.608 4 HG11 VAL 1 1HG1 VAL 1 1.887 -0.190 -3.222 5 HG12 VAL 1 2HG1 VAL 1 1.873 0.658 -1.675 6 HG13 VAL 1 3HG1 VAL 1 1.266 1.458 -3.126 7 HG21 VAL 1 3HG2 VAL 1 3.346 2.365 -4.887 8 HG22 VAL 1 1HG2 VAL 1 2.406 3.117 -3.599 9 HG23 VAL 1 2HG2 VAL 1 4.167 3.228 -3.586 10 H ALA 2 H ALA 2 6.008 -0.187 -1.871 11 HA ALA 2 HA ALA 2 8.273 1.497 -1.683 12 HB1 ALA 2 1HB ALA 2 9.301 -0.444 -1.374 13 HB2 ALA 2 2HB ALA 2 7.777 -1.269 -1.701 14 HB3 ALA 2 3HB ALA 2 8.910 -0.956 -3.016 15 H ARG 3 H ARG 3 6.285 0.502 -4.337 16 HA ARG 3 HA ARG 3 8.241 1.268 -6.340 17 HB2 ARG 3 2HB ARG 3 5.351 0.439 -6.668 18 HB3 ARG 3 3HB ARG 3 6.527 0.623 -7.963 19 HG2 ARG 3 2HG ARG 3 7.017 -1.522 -7.729 20 HG3 ARG 3 3HG ARG 3 7.702 -1.141 -6.148 21 HD2 ARG 3 2HD ARG 3 5.178 -1.280 -5.403 22 HD3 ARG 3 3HD ARG 3 5.041 -2.278 -6.849 23 HE ARG 3 HE ARG 3 7.224 -3.202 -5.387 24 HH11 ARG 3 1HH1 ARG 3 3.766 -2.960 -5.062 25 HH12 ARG 3 2HH1 ARG 3 3.633 -4.356 -4.045 26 HH21 ARG 3 2HH2 ARG 3 5.508 -5.540 -3.469 27 HH22 ARG 3 1HH2 ARG 3 7.061 -5.042 -4.049 28 H GLY 4 H GLY 4 6.510 3.028 -4.310 29 HA2 GLY 4 2HA GLY 4 5.676 5.021 -6.319 30 HA3 GLY 4 3HA GLY 4 5.036 4.914 -4.686 31 H TRP 5 H TRP 5 8.423 4.487 -5.042 32 HA TRP 5 HA TRP 5 8.854 7.225 -4.040 33 HB2 TRP 5 2HB TRP 5 10.626 4.845 -3.475 34 HB3 TRP 5 3HB TRP 5 10.657 6.423 -2.692 35 HD1 TRP 5 HD1 TRP 5 9.867 3.180 -1.685 36 HE1 TRP 5 HE1 TRP 5 7.941 3.059 0.018 37 HE3 TRP 5 HE3 TRP 5 7.841 7.815 -2.421 38 HZ2 TRP 5 HZ2 TRP 5 5.840 4.710 0.929 39 HZ3 TRP 5 HZ3 TRP 5 5.874 8.467 -1.094 40 HH2 TRP 5 HH2 TRP 5 4.895 6.945 0.545 41 H LYS 6 H LYS 6 9.759 4.820 -6.351 42 HA LYS 6 HA LYS 6 12.243 5.847 -7.176 43 HB2 LYS 6 2HB LYS 6 11.847 4.591 -9.262 44 HB3 LYS 6 3HB LYS 6 11.504 3.627 -7.832 45 HG2 LYS 6 2HG LYS 6 9.679 3.099 -9.065 46 HG3 LYS 6 3HG LYS 6 9.055 4.540 -8.258 47 HD2 LYS 6 2HD LYS 6 8.886 5.659 -10.186 48 HD3 LYS 6 3HD LYS 6 10.505 5.174 -10.697 49 HE2 LYS 6 2HE LYS 6 8.378 3.110 -10.763 50 HE3 LYS 6 3HE LYS 6 8.295 4.392 -11.969 51 HZ1 LYS 6 3HZ LYS 6 10.022 2.145 -11.867 52 HZ2 LYS 6 1HZ LYS 6 10.924 3.575 -11.926 53 HZ3 LYS 6 2HZ LYS 6 9.778 3.247 -13.126 54 H ARG 7 H ARG 7 9.057 7.017 -7.602 55 HA ARG 7 HA ARG 7 9.138 8.339 -10.022 56 HB2 ARG 7 2HB ARG 7 7.829 9.050 -7.406 57 HB3 ARG 7 3HB ARG 7 7.637 10.057 -8.835 58 HG2 ARG 7 2HG ARG 7 7.049 7.137 -8.998 59 HG3 ARG 7 3HG ARG 7 5.873 8.236 -8.274 60 HD2 ARG 7 2HD ARG 7 6.364 9.621 -10.476 61 HD3 ARG 7 3HD ARG 7 6.810 8.028 -11.087 62 HE ARG 7 HE ARG 7 4.171 8.984 -10.532 63 HH11 ARG 7 1HH1 ARG 7 6.176 6.142 -10.684 64 HH12 ARG 7 2HH1 ARG 7 4.853 5.065 -10.982 65 HH21 ARG 7 2HH2 ARG 7 2.717 5.881 -11.119 66 HH22 ARG 7 1HH2 ARG 7 2.420 7.575 -10.924 67 H LYS 8 H LYS 8 9.574 10.126 -6.981 68 HA LYS 8 HA LYS 8 11.395 11.942 -8.377 69 HB2 LYS 8 2HB LYS 8 11.020 13.474 -6.532 70 HB3 LYS 8 3HB LYS 8 9.477 12.908 -7.156 71 HG2 LYS 8 2HG LYS 8 10.054 11.099 -5.160 72 HG3 LYS 8 3HG LYS 8 10.630 12.635 -4.507 73 HD2 LYS 8 2HD LYS 8 8.486 13.646 -4.799 74 HD3 LYS 8 3HD LYS 8 7.894 12.258 -5.716 75 HE2 LYS 8 2HE LYS 8 8.136 10.857 -3.710 76 HE3 LYS 8 3HE LYS 8 8.683 12.266 -2.803 77 HZ1 LYS 8 3HZ LYS 8 5.996 11.632 -3.802 78 HZ2 LYS 8 1HZ LYS 8 6.441 13.254 -3.627 79 HZ3 LYS 8 2HZ LYS 8 6.468 12.221 -2.288 80 H CYS 9 H CYS 9 11.342 9.503 -5.929 81 HA CYS 9 HA CYS 9 14.145 10.110 -5.256 82 HB2 CYS 9 2HB CYS 9 12.405 10.153 -3.392 83 HB3 CYS 9 3HB CYS 9 12.274 8.412 -3.608 84 HG CYS 9 HG CYS 9 14.317 7.762 -2.190 85 HA PRO 10 HA PRO 10 14.136 6.180 -7.724 86 HB2 PRO 10 2HB PRO 10 16.293 6.849 -9.231 87 HB3 PRO 10 3HB PRO 10 14.642 7.312 -9.659 88 HG2 PRO 10 2HG PRO 10 16.773 8.926 -8.312 89 HG3 PRO 10 3HG PRO 10 15.647 9.408 -9.594 90 HD2 PRO 10 2HD PRO 10 15.257 10.054 -6.994 91 HD3 PRO 10 3HD PRO 10 13.913 9.754 -8.115 92 H LEU 11 H LEU 11 16.319 7.871 -5.688 93 HA LEU 11 HA LEU 11 18.596 6.313 -5.698 94 HB2 LEU 11 2HB LEU 11 17.853 8.423 -4.290 95 HB3 LEU 11 3HB LEU 11 17.501 7.195 -3.076 96 HG LEU 11 HG LEU 11 19.667 8.056 -2.616 97 HD11 LEU 11 1HD1 LEU 11 20.123 5.461 -4.069 98 HD12 LEU 11 2HD1 LEU 11 19.323 5.574 -2.502 99 HD13 LEU 11 3HD1 LEU 11 20.999 6.092 -2.674 100 HD21 LEU 11 3HD2 LEU 11 21.208 8.668 -4.138 101 HD22 LEU 11 1HD2 LEU 11 19.835 8.662 -5.245 102 HD23 LEU 11 2HD2 LEU 11 20.908 7.264 -5.163 103 H PHE 12 H PHE 12 15.607 5.799 -3.849 104 HA PHE 12 HA PHE 12 16.587 3.184 -2.986 105 HB2 PHE 12 2HB PHE 12 15.044 5.130 -1.729 106 HB3 PHE 12 3HB PHE 12 13.889 3.865 -2.136 107 HD1 PHE 12 HD1 PHE 12 15.104 1.396 -1.722 108 HD2 PHE 12 HD2 PHE 12 15.767 5.006 0.434 109 HE1 PHE 12 HE1 PHE 12 15.845 0.091 0.229 110 HE2 PHE 12 HE2 PHE 12 16.509 3.707 2.387 111 HZ PHE 12 HZ PHE 12 16.550 1.247 2.286 112 H GLY 13 H GLY 13 15.903 3.660 -5.769 113 HA2 GLY 13 2HA GLY 13 13.394 2.203 -6.132 114 HA3 GLY 13 3HA GLY 13 14.335 2.980 -7.397 115 H LYS 14 H LYS 14 15.740 0.838 -5.012 116 HA LYS 14 HA LYS 14 16.996 -0.770 -6.954 117 HB2 LYS 14 2HB LYS 14 16.480 -1.264 -4.017 118 HB3 LYS 14 3HB LYS 14 17.504 -2.282 -5.021 119 HG2 LYS 14 2HG LYS 14 19.106 -0.594 -5.295 120 HG3 LYS 14 3HG LYS 14 18.003 0.661 -4.725 121 HD2 LYS 14 2HD LYS 14 19.148 0.406 -2.794 122 HD3 LYS 14 3HD LYS 14 18.046 -0.954 -2.566 123 HE2 LYS 14 2HE LYS 14 20.041 -2.070 -4.067 124 HE3 LYS 14 3HE LYS 14 20.931 -0.924 -3.065 125 HZ1 LYS 14 3HZ LYS 14 20.835 -2.432 -1.462 126 HZ2 LYS 14 1HZ LYS 14 19.774 -3.414 -2.342 127 HZ3 LYS 14 2HZ LYS 14 19.166 -2.174 -1.366 128 H GLY 15 H GLY 15 13.925 -1.023 -5.306 129 HA2 GLY 15 2HA GLY 15 13.454 -3.611 -6.649 130 HA3 GLY 15 3HA GLY 15 12.646 -3.095 -5.176 131 H GLY 16 H GLY 16 13.200 -1.357 -8.229 132 HA2 GLY 16 2HA GLY 16 10.417 -0.546 -8.259 133 HA3 GLY 16 3HA GLY 16 11.670 -0.027 -9.376 Start of MODEL 18 1 H1 VAL 1 H VAL 1 3.682 0.993 -2.998 2 HA VAL 1 HA VAL 1 3.964 3.229 -2.143 3 HB VAL 1 HB VAL 1 5.131 3.501 0.060 4 HG11 VAL 1 1HG1 VAL 1 2.863 2.154 1.087 5 HG12 VAL 1 2HG1 VAL 1 3.062 3.879 0.769 6 HG13 VAL 1 3HG1 VAL 1 2.422 2.818 -0.486 7 HG21 VAL 1 3HG2 VAL 1 6.192 1.366 0.287 8 HG22 VAL 1 1HG2 VAL 1 5.031 1.541 1.603 9 HG23 VAL 1 2HG2 VAL 1 4.641 0.530 0.212 10 H ALA 2 H ALA 2 6.161 0.510 -1.968 11 HA ALA 2 HA ALA 2 8.584 1.951 -2.152 12 HB1 ALA 2 1HB ALA 2 9.494 -0.067 -1.951 13 HB2 ALA 2 2HB ALA 2 7.855 -0.716 -1.888 14 HB3 ALA 2 3HB ALA 2 8.714 -0.639 -3.426 15 H ARG 3 H ARG 3 6.188 1.070 -4.489 16 HA ARG 3 HA ARG 3 7.941 1.549 -6.753 17 HB2 ARG 3 2HB ARG 3 4.966 1.011 -6.679 18 HB3 ARG 3 3HB ARG 3 5.976 1.031 -8.119 19 HG2 ARG 3 2HG ARG 3 6.294 -1.141 -7.848 20 HG3 ARG 3 3HG ARG 3 7.197 -0.780 -6.375 21 HD2 ARG 3 2HD ARG 3 4.874 -0.689 -5.251 22 HD3 ARG 3 3HD ARG 3 4.317 -1.546 -6.688 23 HE ARG 3 HE ARG 3 6.484 -2.970 -5.799 24 HH11 ARG 3 1HH1 ARG 3 3.432 -1.971 -4.456 25 HH12 ARG 3 2HH1 ARG 3 3.297 -3.342 -3.405 26 HH21 ARG 3 2HH2 ARG 3 4.941 -4.938 -3.386 27 HH22 ARG 3 1HH2 ARG 3 6.319 -4.779 -4.421 28 H GLY 4 H GLY 4 6.666 3.558 -4.620 29 HA2 GLY 4 2HA GLY 4 5.782 5.548 -6.610 30 HA3 GLY 4 3HA GLY 4 5.353 5.573 -4.906 31 H TRP 5 H TRP 5 8.605 4.775 -5.655 32 HA TRP 5 HA TRP 5 9.434 7.490 -4.862 33 HB2 TRP 5 2HB TRP 5 11.028 4.967 -4.407 34 HB3 TRP 5 3HB TRP 5 11.302 6.560 -3.707 35 HD1 TRP 5 HD1 TRP 5 10.363 3.450 -2.453 36 HE1 TRP 5 HE1 TRP 5 8.661 3.571 -0.527 37 HE3 TRP 5 HE3 TRP 5 8.667 8.219 -3.169 38 HZ2 TRP 5 HZ2 TRP 5 6.839 5.442 0.547 39 HZ3 TRP 5 HZ3 TRP 5 6.944 9.099 -1.649 40 HH2 TRP 5 HH2 TRP 5 6.050 7.737 0.170 41 H LYS 6 H LYS 6 9.549 5.125 -7.284 42 HA LYS 6 HA LYS 6 12.050 5.515 -8.448 43 HB2 LYS 6 2HB LYS 6 10.972 4.763 -10.558 44 HB3 LYS 6 3HB LYS 6 10.607 3.726 -9.185 45 HG2 LYS 6 2HG LYS 6 8.509 3.895 -9.965 46 HG3 LYS 6 3HG LYS 6 8.515 5.410 -9.060 47 HD2 LYS 6 2HD LYS 6 7.713 6.051 -11.144 48 HD3 LYS 6 3HD LYS 6 9.431 6.441 -11.248 49 HE2 LYS 6 2HE LYS 6 9.841 4.825 -12.781 50 HE3 LYS 6 3HE LYS 6 8.656 3.718 -12.088 51 HZ1 LYS 6 3HZ LYS 6 6.943 4.678 -13.265 52 HZ2 LYS 6 1HZ LYS 6 8.210 4.777 -14.381 53 HZ3 LYS 6 2HZ LYS 6 7.756 6.144 -13.494 54 H ARG 7 H ARG 7 9.317 7.600 -8.305 55 HA ARG 7 HA ARG 7 10.446 9.338 -10.388 56 HB2 ARG 7 2HB ARG 7 7.705 8.949 -9.277 57 HB3 ARG 7 3HB ARG 7 8.135 10.543 -9.884 58 HG2 ARG 7 2HG ARG 7 8.118 9.877 -12.032 59 HG3 ARG 7 3HG ARG 7 8.796 8.291 -11.657 60 HD2 ARG 7 2HD ARG 7 6.572 7.653 -10.713 61 HD3 ARG 7 3HD ARG 7 5.939 9.184 -11.315 62 HE ARG 7 HE ARG 7 7.104 7.980 -13.487 63 HH11 ARG 7 1HH1 ARG 7 4.599 7.159 -11.214 64 HH12 ARG 7 2HH1 ARG 7 3.713 6.187 -12.342 65 HH21 ARG 7 2HH2 ARG 7 4.481 5.928 -14.484 66 HH22 ARG 7 1HH2 ARG 7 5.947 6.703 -14.982 67 H LYS 8 H LYS 8 9.794 9.093 -6.994 68 HA LYS 8 HA LYS 8 10.501 11.908 -6.576 69 HB2 LYS 8 2HB LYS 8 9.174 9.826 -4.867 70 HB3 LYS 8 3HB LYS 8 9.898 11.251 -4.133 71 HG2 LYS 8 2HG LYS 8 7.966 12.280 -4.480 72 HG3 LYS 8 3HG LYS 8 8.356 12.263 -6.202 73 HD2 LYS 8 2HD LYS 8 7.128 10.260 -6.548 74 HD3 LYS 8 3HD LYS 8 6.968 9.980 -4.812 75 HE2 LYS 8 2HE LYS 8 5.650 12.115 -4.694 76 HE3 LYS 8 3HE LYS 8 5.665 12.143 -6.457 77 HZ1 LYS 8 3HZ LYS 8 4.170 10.432 -4.641 78 HZ2 LYS 8 1HZ LYS 8 4.776 9.685 -6.033 79 HZ3 LYS 8 2HZ LYS 8 3.748 11.021 -6.170 80 H CYS 9 H CYS 9 11.141 9.018 -4.611 81 HA CYS 9 HA CYS 9 13.960 9.858 -4.469 82 HB2 CYS 9 2HB CYS 9 12.096 8.697 -2.443 83 HB3 CYS 9 3HB CYS 9 13.810 8.317 -2.322 84 HG CYS 9 HG CYS 9 13.936 10.334 -0.674 85 HA PRO 10 HA PRO 10 13.885 5.800 -6.703 86 HB2 PRO 10 2HB PRO 10 15.760 6.514 -8.531 87 HB3 PRO 10 3HB PRO 10 14.038 6.853 -8.739 88 HG2 PRO 10 2HG PRO 10 16.224 8.663 -7.785 89 HG3 PRO 10 3HG PRO 10 14.900 9.006 -8.913 90 HD2 PRO 10 2HD PRO 10 14.835 9.768 -6.316 91 HD3 PRO 10 3HD PRO 10 13.371 9.327 -7.218 92 H LEU 11 H LEU 11 16.105 7.645 -4.928 93 HA LEU 11 HA LEU 11 18.501 6.259 -5.236 94 HB2 LEU 11 2HB LEU 11 18.174 8.383 -3.981 95 HB3 LEU 11 3HB LEU 11 17.435 7.450 -2.681 96 HG LEU 11 HG LEU 11 20.027 6.380 -3.305 97 HD11 LEU 11 1HD1 LEU 11 20.817 8.426 -4.073 98 HD12 LEU 11 2HD1 LEU 11 21.236 8.444 -2.360 99 HD13 LEU 11 3HD1 LEU 11 19.833 9.345 -2.933 100 HD21 LEU 11 3HD2 LEU 11 18.792 6.062 -1.212 101 HD22 LEU 11 1HD2 LEU 11 18.949 7.783 -0.862 102 HD23 LEU 11 2HD2 LEU 11 20.386 6.763 -0.929 103 H PHE 12 H PHE 12 15.575 5.353 -3.630 104 HA PHE 12 HA PHE 12 16.898 2.914 -2.637 105 HB2 PHE 12 2HB PHE 12 15.608 4.774 -1.092 106 HB3 PHE 12 3HB PHE 12 14.324 3.610 -1.400 107 HD1 PHE 12 HD1 PHE 12 16.259 4.453 1.098 108 HD2 PHE 12 HD2 PHE 12 15.753 1.072 -1.438 109 HE1 PHE 12 HE1 PHE 12 17.163 2.997 2.864 110 HE2 PHE 12 HE2 PHE 12 16.654 -0.389 0.324 111 HZ PHE 12 HZ PHE 12 17.360 0.573 2.478 112 H GLY 13 H GLY 13 15.595 3.544 -5.256 113 HA2 GLY 13 2HA GLY 13 13.317 1.682 -5.161 114 HA3 GLY 13 3HA GLY 13 13.643 2.828 -6.453 115 H LYS 14 H LYS 14 16.110 0.782 -5.046 116 HA LYS 14 HA LYS 14 16.709 -0.323 -7.639 117 HB2 LYS 14 2HB LYS 14 18.555 -1.475 -6.441 118 HB3 LYS 14 3HB LYS 14 18.551 0.267 -6.196 119 HG2 LYS 14 2HG LYS 14 18.740 -0.193 -4.029 120 HG3 LYS 14 3HG LYS 14 17.036 -0.647 -4.095 121 HD2 LYS 14 2HD LYS 14 17.777 -2.615 -3.289 122 HD3 LYS 14 3HD LYS 14 18.211 -2.930 -4.970 123 HE2 LYS 14 2HE LYS 14 20.464 -1.993 -4.504 124 HE3 LYS 14 3HE LYS 14 20.010 -1.841 -2.807 125 HZ1 LYS 14 3HZ LYS 14 20.508 -3.960 -2.481 126 HZ2 LYS 14 1HZ LYS 14 21.079 -4.060 -4.070 127 HZ3 LYS 14 2HZ LYS 14 19.473 -4.460 -3.722 128 H GLY 15 H GLY 15 14.998 -1.311 -4.790 129 HA2 GLY 15 2HA GLY 15 14.883 -4.089 -5.742 130 HA3 GLY 15 3HA GLY 15 14.411 -3.532 -4.143 131 H GLY 16 H GLY 16 13.513 -2.790 -7.521 132 HA2 GLY 16 2HA GLY 16 11.318 -3.466 -8.337 133 HA3 GLY 16 3HA GLY 16 10.698 -3.174 -6.719 Start of MODEL 19 1 H1 VAL 1 H VAL 1 2.044 -1.560 -1.585 2 HA VAL 1 HA VAL 1 2.579 -0.551 -3.588 3 HB VAL 1 HB VAL 1 2.303 1.927 -3.485 4 HG11 VAL 1 1HG1 VAL 1 0.350 0.567 -3.746 5 HG12 VAL 1 2HG1 VAL 1 0.297 0.224 -2.016 6 HG13 VAL 1 3HG1 VAL 1 -0.027 1.855 -2.603 7 HG21 VAL 1 3HG2 VAL 1 2.440 3.107 -1.586 8 HG22 VAL 1 1HG2 VAL 1 1.504 1.920 -0.676 9 HG23 VAL 1 2HG2 VAL 1 3.234 1.680 -0.920 10 H ALA 2 H ALA 2 4.133 0.552 -4.859 11 HA ALA 2 HA ALA 2 6.696 1.003 -3.473 12 HB1 ALA 2 1HB ALA 2 6.428 -0.988 -5.104 13 HB2 ALA 2 2HB ALA 2 6.532 0.244 -6.363 14 HB3 ALA 2 3HB ALA 2 7.862 0.033 -5.224 15 H ARG 3 H ARG 3 4.595 2.969 -3.977 16 HA ARG 3 HA ARG 3 5.014 4.595 -6.174 17 HB2 ARG 3 2HB ARG 3 4.165 6.451 -4.743 18 HB3 ARG 3 3HB ARG 3 3.170 5.001 -4.684 19 HG2 ARG 3 2HG ARG 3 4.547 4.424 -2.577 20 HG3 ARG 3 3HG ARG 3 4.979 6.135 -2.593 21 HD2 ARG 3 2HD ARG 3 2.659 6.770 -2.471 22 HD3 ARG 3 3HD ARG 3 2.152 5.088 -2.627 23 HE ARG 3 HE ARG 3 2.532 4.812 -0.391 24 HH11 ARG 3 1HH1 ARG 3 4.175 7.686 -1.467 25 HH12 ARG 3 2HH1 ARG 3 4.639 8.176 0.129 26 HH21 ARG 3 2HH2 ARG 3 4.048 6.901 1.938 27 HH22 ARG 3 1HH2 ARG 3 3.136 5.446 1.715 28 H GLY 4 H GLY 4 6.912 4.274 -3.251 29 HA2 GLY 4 2HA GLY 4 8.713 6.402 -4.224 30 HA3 GLY 4 3HA GLY 4 8.568 5.911 -2.543 31 H TRP 5 H TRP 5 9.093 4.153 -5.600 32 HA TRP 5 HA TRP 5 11.476 2.942 -4.358 33 HB2 TRP 5 2HB TRP 5 9.186 1.729 -5.753 34 HB3 TRP 5 3HB TRP 5 10.759 1.146 -6.291 35 HD1 TRP 5 HD1 TRP 5 10.287 2.097 -2.630 36 HE1 TRP 5 HE1 TRP 5 10.410 -0.037 -1.196 37 HE3 TRP 5 HE3 TRP 5 10.315 -1.393 -6.366 38 HZ2 TRP 5 HZ2 TRP 5 10.507 -2.829 -1.595 39 HZ3 TRP 5 HZ3 TRP 5 10.425 -3.774 -5.755 40 HH2 TRP 5 HH2 TRP 5 10.520 -4.475 -3.419 41 H LYS 6 H LYS 6 10.164 2.921 -7.663 42 HA LYS 6 HA LYS 6 12.733 4.032 -8.587 43 HB2 LYS 6 2HB LYS 6 12.062 2.848 -10.786 44 HB3 LYS 6 3HB LYS 6 12.690 1.873 -9.464 45 HG2 LYS 6 2HG LYS 6 10.829 0.725 -10.391 46 HG3 LYS 6 3HG LYS 6 10.332 1.362 -8.822 47 HD2 LYS 6 2HD LYS 6 8.859 2.829 -9.733 48 HD3 LYS 6 3HD LYS 6 9.850 3.098 -11.169 49 HE2 LYS 6 2HE LYS 6 8.735 0.391 -10.912 50 HE3 LYS 6 3HE LYS 6 7.541 1.669 -11.130 51 HZ1 LYS 6 3HZ LYS 6 9.511 2.223 -12.952 52 HZ2 LYS 6 1HZ LYS 6 7.999 1.539 -13.283 53 HZ3 LYS 6 2HZ LYS 6 9.341 0.541 -13.027 54 H ARG 7 H ARG 7 9.382 4.496 -8.405 55 HA ARG 7 HA ARG 7 8.859 5.919 -10.766 56 HB2 ARG 7 2HB ARG 7 7.613 5.854 -8.043 57 HB3 ARG 7 3HB ARG 7 7.090 7.064 -9.207 58 HG2 ARG 7 2HG ARG 7 7.075 4.096 -9.709 59 HG3 ARG 7 3HG ARG 7 5.679 5.036 -9.178 60 HD2 ARG 7 2HD ARG 7 6.954 6.225 -11.488 61 HD3 ARG 7 3HD ARG 7 6.477 4.557 -11.799 62 HE ARG 7 HE ARG 7 4.284 5.671 -10.630 63 HH11 ARG 7 1HH1 ARG 7 6.255 6.464 -13.387 64 HH12 ARG 7 2HH1 ARG 7 4.957 7.199 -14.268 65 HH21 ARG 7 2HH2 ARG 7 2.860 7.298 -13.351 66 HH22 ARG 7 1HH2 ARG 7 2.567 6.637 -11.779 67 H LYS 8 H LYS 8 9.024 7.462 -7.569 68 HA LYS 8 HA LYS 8 10.530 9.670 -8.813 69 HB2 LYS 8 2HB LYS 8 9.412 11.116 -7.048 70 HB3 LYS 8 3HB LYS 8 8.379 10.536 -8.348 71 HG2 LYS 8 2HG LYS 8 8.477 8.797 -5.988 72 HG3 LYS 8 3HG LYS 8 7.773 10.393 -5.714 73 HD2 LYS 8 2HD LYS 8 6.762 9.360 -8.170 74 HD3 LYS 8 3HD LYS 8 6.579 8.125 -6.922 75 HE2 LYS 8 2HE LYS 8 5.811 10.932 -6.287 76 HE3 LYS 8 3HE LYS 8 4.739 9.973 -7.306 77 HZ1 LYS 8 3HZ LYS 8 3.937 9.075 -5.464 78 HZ2 LYS 8 1HZ LYS 8 5.079 9.871 -4.503 79 HZ3 LYS 8 2HZ LYS 8 5.442 8.360 -5.170 80 H CYS 9 H CYS 9 11.355 7.206 -7.261 81 HA CYS 9 HA CYS 9 12.848 8.601 -5.138 82 HB2 CYS 9 2HB CYS 9 11.389 6.032 -5.133 83 HB3 CYS 9 3HB CYS 9 12.971 6.001 -4.363 84 HG CYS 9 HG CYS 9 12.012 8.514 -2.940 85 HA PRO 10 HA PRO 10 15.849 7.006 -8.299 86 HB2 PRO 10 2HB PRO 10 17.353 9.266 -8.350 87 HB3 PRO 10 3HB PRO 10 15.920 9.042 -9.361 88 HG2 PRO 10 2HG PRO 10 16.202 10.528 -6.778 89 HG3 PRO 10 3HG PRO 10 15.330 10.997 -8.249 90 HD2 PRO 10 2HD PRO 10 14.080 9.963 -6.080 91 HD3 PRO 10 3HD PRO 10 13.507 9.683 -7.737 92 H LEU 11 H LEU 11 15.954 8.171 -5.086 93 HA LEU 11 HA LEU 11 18.768 7.461 -4.736 94 HB2 LEU 11 2HB LEU 11 17.863 9.559 -3.759 95 HB3 LEU 11 3HB LEU 11 16.819 8.583 -2.728 96 HG LEU 11 HG LEU 11 19.050 7.537 -1.900 97 HD11 LEU 11 1HD1 LEU 11 19.990 10.119 -3.132 98 HD12 LEU 11 2HD1 LEU 11 20.549 8.488 -3.499 99 HD13 LEU 11 3HD1 LEU 11 20.898 9.206 -1.927 100 HD21 LEU 11 3HD2 LEU 11 18.567 8.687 -0.060 101 HD22 LEU 11 1HD2 LEU 11 17.406 9.608 -1.016 102 HD23 LEU 11 2HD2 LEU 11 19.052 10.207 -0.812 103 H PHE 12 H PHE 12 15.576 6.286 -4.093 104 HA PHE 12 HA PHE 12 16.701 4.077 -2.503 105 HB2 PHE 12 2HB PHE 12 14.458 5.743 -2.029 106 HB3 PHE 12 3HB PHE 12 13.836 4.138 -2.399 107 HD1 PHE 12 HD1 PHE 12 14.939 6.221 0.157 108 HD2 PHE 12 HD2 PHE 12 15.153 2.180 -1.164 109 HE1 PHE 12 HE1 PHE 12 15.451 5.501 2.453 110 HE2 PHE 12 HE2 PHE 12 15.665 1.453 1.130 111 HZ PHE 12 HZ PHE 12 15.813 3.114 2.943 112 H GLY 13 H GLY 13 16.596 4.377 -5.464 113 HA2 GLY 13 2HA GLY 13 14.691 2.277 -6.208 114 HA3 GLY 13 3HA GLY 13 15.584 3.304 -7.321 115 H LYS 14 H LYS 14 17.105 1.670 -4.630 116 HA LYS 14 HA LYS 14 19.158 0.562 -6.141 117 HB2 LYS 14 2HB LYS 14 18.038 -0.345 -3.484 118 HB3 LYS 14 3HB LYS 14 19.561 -0.904 -4.163 119 HG2 LYS 14 2HG LYS 14 20.569 1.196 -3.924 120 HG3 LYS 14 3HG LYS 14 19.019 2.007 -3.687 121 HD2 LYS 14 2HD LYS 14 18.939 1.486 -1.492 122 HD3 LYS 14 3HD LYS 14 19.645 -0.112 -1.741 123 HE2 LYS 14 2HE LYS 14 21.857 0.948 -2.025 124 HE3 LYS 14 3HE LYS 14 21.126 2.516 -1.688 125 HZ1 LYS 14 3HZ LYS 14 21.140 2.119 0.490 126 HZ2 LYS 14 1HZ LYS 14 22.197 0.840 0.157 127 HZ3 LYS 14 2HZ LYS 14 20.539 0.547 0.315 128 H GLY 15 H GLY 15 15.939 -0.602 -5.537 129 HA2 GLY 15 2HA GLY 15 16.486 -3.307 -6.371 130 HA3 GLY 15 3HA GLY 15 14.904 -2.610 -6.054 131 H GLY 16 H GLY 16 13.827 -1.467 -7.723 132 HA2 GLY 16 2HA GLY 16 14.404 -2.524 -10.344 133 HA3 GLY 16 3HA GLY 16 13.043 -1.501 -9.904 Start of MODEL 20 1 H1 VAL 1 H VAL 1 0.666 -0.043 -2.187 2 HA VAL 1 HA VAL 1 0.747 2.180 -1.611 3 HB VAL 1 HB VAL 1 2.153 2.582 0.453 4 HG11 VAL 1 1HG1 VAL 1 0.550 0.117 0.901 5 HG12 VAL 1 2HG1 VAL 1 0.558 1.639 1.794 6 HG13 VAL 1 3HG1 VAL 1 -0.257 1.535 0.233 7 HG21 VAL 1 3HG2 VAL 1 3.507 0.327 -0.446 8 HG22 VAL 1 1HG2 VAL 1 3.710 1.132 1.110 9 HG23 VAL 1 2HG2 VAL 1 2.600 -0.231 0.959 10 H ALA 2 H ALA 2 3.819 0.722 -2.374 11 HA ALA 2 HA ALA 2 4.849 3.378 -3.136 12 HB1 ALA 2 1HB ALA 2 6.580 1.029 -2.412 13 HB2 ALA 2 2HB ALA 2 7.044 2.723 -2.575 14 HB3 ALA 2 3HB ALA 2 6.032 2.212 -1.224 15 H ARG 3 H ARG 3 3.632 2.849 -5.156 16 HA ARG 3 HA ARG 3 4.579 0.745 -6.843 17 HB2 ARG 3 2HB ARG 3 2.584 2.897 -6.998 18 HB3 ARG 3 3HB ARG 3 3.338 2.501 -8.537 19 HG2 ARG 3 2HG ARG 3 1.442 1.149 -8.444 20 HG3 ARG 3 3HG ARG 3 2.768 0.075 -7.996 21 HD2 ARG 3 2HD ARG 3 1.736 1.370 -5.657 22 HD3 ARG 3 3HD ARG 3 0.414 0.622 -6.553 23 HE ARG 3 HE ARG 3 2.682 -1.104 -6.214 24 HH11 ARG 3 1HH1 ARG 3 -0.253 0.070 -4.756 25 HH12 ARG 3 2HH1 ARG 3 -0.459 -1.319 -3.741 26 HH21 ARG 3 2HH2 ARG 3 1.064 -3.029 -3.813 27 HH22 ARG 3 1HH2 ARG 3 2.423 -2.938 -4.882 28 H GLY 4 H GLY 4 4.563 4.217 -7.620 29 HA2 GLY 4 2HA GLY 4 7.119 3.828 -9.014 30 HA3 GLY 4 3HA GLY 4 5.998 5.156 -9.276 31 H TRP 5 H TRP 5 7.050 4.041 -6.117 32 HA TRP 5 HA TRP 5 7.619 6.538 -5.093 33 HB2 TRP 5 2HB TRP 5 8.491 5.456 -3.234 34 HB3 TRP 5 3HB TRP 5 7.484 4.196 -3.942 35 HD1 TRP 5 HD1 TRP 5 11.017 4.941 -2.947 36 HE1 TRP 5 HE1 TRP 5 12.526 2.937 -3.526 37 HE3 TRP 5 HE3 TRP 5 7.748 2.267 -5.828 38 HZ2 TRP 5 HZ2 TRP 5 12.354 0.541 -5.008 39 HZ3 TRP 5 HZ3 TRP 5 8.498 0.130 -6.789 40 HH2 TRP 5 HH2 TRP 5 10.754 -0.713 -6.387 41 H LYS 6 H LYS 6 9.603 4.478 -7.083 42 HA LYS 6 HA LYS 6 12.131 5.515 -6.621 43 HB2 LYS 6 2HB LYS 6 12.665 4.802 -8.928 44 HB3 LYS 6 3HB LYS 6 11.789 3.572 -8.028 45 HG2 LYS 6 2HG LYS 6 9.763 4.942 -9.246 46 HG3 LYS 6 3HG LYS 6 11.047 5.010 -10.455 47 HD2 LYS 6 2HD LYS 6 10.474 2.410 -9.115 48 HD3 LYS 6 3HD LYS 6 9.366 2.984 -10.364 49 HE2 LYS 6 2HE LYS 6 11.827 3.401 -11.503 50 HE3 LYS 6 3HE LYS 6 12.072 1.908 -10.598 51 HZ1 LYS 6 3HZ LYS 6 9.843 1.242 -11.716 52 HZ2 LYS 6 1HZ LYS 6 11.287 1.129 -12.591 53 HZ3 LYS 6 2HZ LYS 6 10.248 2.440 -12.840 54 H ARG 7 H ARG 7 9.443 6.887 -8.362 55 HA ARG 7 HA ARG 7 10.703 8.788 -9.934 56 HB2 ARG 7 2HB ARG 7 8.046 8.755 -8.532 57 HB3 ARG 7 3HB ARG 7 8.555 10.157 -9.464 58 HG2 ARG 7 2HG ARG 7 8.510 8.995 -11.474 59 HG3 ARG 7 3HG ARG 7 8.583 7.423 -10.676 60 HD2 ARG 7 2HD ARG 7 6.365 7.298 -10.601 61 HD3 ARG 7 3HD ARG 7 6.261 8.867 -9.804 62 HE ARG 7 HE ARG 7 5.721 9.819 -11.818 63 HH11 ARG 7 1HH1 ARG 7 6.992 6.623 -12.359 64 HH12 ARG 7 2HH1 ARG 7 6.587 6.606 -14.043 65 HH21 ARG 7 2HH2 ARG 7 5.560 8.419 -14.996 66 HH22 ARG 7 1HH2 ARG 7 5.184 9.808 -14.034 67 H LYS 8 H LYS 8 10.113 8.770 -6.489 68 HA LYS 8 HA LYS 8 11.316 11.447 -6.273 69 HB2 LYS 8 2HB LYS 8 9.602 9.905 -4.318 70 HB3 LYS 8 3HB LYS 8 10.356 11.455 -3.967 71 HG2 LYS 8 2HG LYS 8 8.702 12.557 -4.945 72 HG3 LYS 8 3HG LYS 8 8.853 11.594 -6.417 73 HD2 LYS 8 2HD LYS 8 6.721 11.040 -5.784 74 HD3 LYS 8 3HD LYS 8 7.631 9.777 -4.953 75 HE2 LYS 8 2HE LYS 8 7.687 11.670 -3.061 76 HE3 LYS 8 3HE LYS 8 6.180 12.115 -3.861 77 HZ1 LYS 8 3HZ LYS 8 5.155 10.238 -3.177 78 HZ2 LYS 8 1HZ LYS 8 6.294 10.326 -1.929 79 HZ3 LYS 8 2HZ LYS 8 6.556 9.293 -3.242 80 H CYS 9 H CYS 9 11.630 8.102 -5.363 81 HA CYS 9 HA CYS 9 14.113 8.754 -3.917 82 HB2 CYS 9 2HB CYS 9 11.976 6.752 -3.414 83 HB3 CYS 9 3HB CYS 9 13.629 6.246 -3.089 84 HG CYS 9 HG CYS 9 11.878 8.758 -1.587 85 HA PRO 10 HA PRO 10 15.257 6.498 -7.815 86 HB2 PRO 10 2HB PRO 10 17.310 8.155 -8.452 87 HB3 PRO 10 3HB PRO 10 15.639 8.466 -8.937 88 HG2 PRO 10 2HG PRO 10 17.194 9.618 -6.653 89 HG3 PRO 10 3HG PRO 10 16.100 10.433 -7.785 90 HD2 PRO 10 2HD PRO 10 15.343 9.721 -5.285 91 HD3 PRO 10 3HD PRO 10 14.214 9.743 -6.654 92 H LEU 11 H LEU 11 16.933 7.575 -4.969 93 HA LEU 11 HA LEU 11 19.314 6.033 -5.466 94 HB2 LEU 11 2HB LEU 11 18.326 7.380 -2.957 95 HB3 LEU 11 3HB LEU 11 19.925 6.671 -3.170 96 HG LEU 11 HG LEU 11 19.288 8.676 -5.191 97 HD11 LEU 11 1HD1 LEU 11 19.791 10.496 -3.374 98 HD12 LEU 11 2HD1 LEU 11 19.022 9.331 -2.297 99 HD13 LEU 11 3HD1 LEU 11 18.138 9.965 -3.685 100 HD21 LEU 11 3HD2 LEU 11 21.531 8.028 -3.315 101 HD22 LEU 11 1HD2 LEU 11 21.514 9.544 -4.215 102 HD23 LEU 11 2HD2 LEU 11 21.508 8.007 -5.079 103 H PHE 12 H PHE 12 16.275 5.587 -3.820 104 HA PHE 12 HA PHE 12 17.183 2.947 -2.885 105 HB2 PHE 12 2HB PHE 12 15.920 4.985 -1.465 106 HB3 PHE 12 3HB PHE 12 14.636 3.826 -1.792 107 HD1 PHE 12 HD1 PHE 12 15.423 1.285 -1.397 108 HD2 PHE 12 HD2 PHE 12 17.066 4.725 0.495 109 HE1 PHE 12 HE1 PHE 12 16.218 -0.120 0.459 110 HE2 PHE 12 HE2 PHE 12 17.864 3.326 2.354 111 HZ PHE 12 HZ PHE 12 17.441 0.899 2.338 112 H GLY 13 H GLY 13 16.299 3.577 -5.590 113 HA2 GLY 13 2HA GLY 13 13.616 2.572 -5.876 114 HA3 GLY 13 3HA GLY 13 14.744 2.924 -7.177 115 H LYS 14 H LYS 14 16.756 1.169 -5.693 116 HA LYS 14 HA LYS 14 15.971 -1.289 -7.017 117 HB2 LYS 14 2HB LYS 14 18.234 -2.041 -6.550 118 HB3 LYS 14 3HB LYS 14 18.271 -0.424 -7.241 119 HG2 LYS 14 2HG LYS 14 18.477 0.468 -4.910 120 HG3 LYS 14 3HG LYS 14 18.676 -1.198 -4.363 121 HD2 LYS 14 2HD LYS 14 20.628 -1.430 -5.841 122 HD3 LYS 14 3HD LYS 14 20.437 0.252 -6.341 123 HE2 LYS 14 2HE LYS 14 20.556 0.722 -3.775 124 HE3 LYS 14 3HE LYS 14 21.324 -0.863 -3.714 125 HZ1 LYS 14 3HZ LYS 14 22.262 1.254 -5.554 126 HZ2 LYS 14 1HZ LYS 14 23.083 -0.135 -5.045 127 HZ3 LYS 14 2HZ LYS 14 22.829 1.141 -3.964 128 H GLY 15 H GLY 15 16.197 -0.010 -3.792 129 HA2 GLY 15 2HA GLY 15 16.197 -2.504 -2.414 130 HA3 GLY 15 3HA GLY 15 15.794 -0.939 -1.725 131 H GLY 16 H GLY 16 13.689 -0.399 -1.408 132 HA2 GLY 16 2HA GLY 16 11.360 -0.534 -1.755 133 HA3 GLY 16 3HA GLY 16 11.603 -2.029 -2.646
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