NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
638235 | 6qxb | 34366 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PHE 1 1H PHE 1 -11.572 7.725 -0.551 2 H2 PHE 1 2H PHE 1 -10.715 8.104 0.822 3 H3 PHE 1 3H PHE 1 -9.938 7.957 -0.620 4 HA PHE 1 HA PHE 1 -11.278 5.729 0.844 5 HB2 PHE 1 2HB PHE 1 -9.557 5.488 -1.714 6 HB3 PHE 1 1HB PHE 1 -10.399 4.203 -0.894 7 HD1 PHE 1 HD1 PHE 1 -13.108 4.620 -0.609 8 HD2 PHE 1 HD2 PHE 1 -10.607 6.388 -3.640 9 HE1 PHE 1 HE1 PHE 1 -15.096 5.175 -1.944 10 HE2 PHE 1 HE2 PHE 1 -12.604 6.916 -4.966 11 HZ PHE 1 HZ PHE 1 -14.853 6.332 -4.117 12 H VAL 2 H VAL 2 -9.852 4.234 1.861 13 HA VAL 2 HA VAL 2 -6.916 5.139 2.115 14 HB VAL 2 HB VAL 2 -8.448 3.732 4.340 15 HG11 VAL 2 1HG1 VAL 2 -5.731 3.751 4.094 16 HG12 VAL 2 2HG1 VAL 2 -5.898 5.371 4.797 17 HG13 VAL 2 3HG1 VAL 2 -6.524 3.953 5.661 18 HG21 VAL 2 1HG2 VAL 2 -9.515 5.928 4.267 19 HG22 VAL 2 2HG2 VAL 2 -8.347 5.998 5.595 20 HG23 VAL 2 3HG2 VAL 2 -7.969 6.769 4.031 21 HA JKH 3 HA CAP 3 -6.792 0.716 0.464 22 HD2 JKH 3 1HD CAP 3 -7.726 4.118 -0.790 23 HD3 JKH 3 2HD CAP 3 -6.264 4.852 -0.097 24 HB3 JKH 3 2HB CAP 3 -5.393 1.097 -1.833 25 HB2 JKH 3 1HB CAP 3 -7.108 1.449 -1.742 26 HG JKH 3 HG CAP 3 -6.352 3.546 -2.587 27 HG22 JKH 3 1HG2 CAP 3 -4.276 4.597 -1.612 28 HG21 JKH 3 2HG2 CAP 3 -4.042 3.203 -0.728 29 HG23 JKH 3 3HG2 CAP 3 -3.955 3.148 -2.353 30 H TRP 4 H TRP 4 -5.670 1.199 2.634 31 HA TRP 4 HA TRP 4 -2.781 1.375 2.921 32 HB2 TRP 4 1HB TRP 4 -3.007 -0.064 4.953 33 HB3 TRP 4 2HB TRP 4 -4.008 1.358 4.921 34 HD1 TRP 4 HD1 TRP 4 -6.659 1.083 4.991 35 HE1 TRP 4 HE1 TRP 4 -8.383 -0.905 5.279 36 HE3 TRP 4 HE3 TRP 4 -3.274 -2.713 4.464 37 HZ2 TRP 4 HZ2 TRP 4 -8.122 -3.730 5.186 38 HZ3 TRP 4 HZ3 TRP 4 -4.080 -5.048 4.561 39 HH2 TRP 4 HH2 TRP 4 -6.466 -5.552 4.892 40 H PHE 5 H PHE 5 -4.674 -1.371 1.810 41 HA PHE 5 HA PHE 5 -2.579 -3.275 1.469 42 HB2 PHE 5 2HB PHE 5 -5.260 -3.410 1.052 43 HB3 PHE 5 1HB PHE 5 -4.826 -3.078 -0.601 44 HD1 PHE 5 HD1 PHE 5 -4.411 -5.075 -1.942 45 HD2 PHE 5 HD2 PHE 5 -3.723 -5.261 2.295 46 HE1 PHE 5 HE1 PHE 5 -3.881 -7.477 -2.119 47 HE2 PHE 5 HE2 PHE 5 -3.169 -7.643 2.105 48 HZ PHE 5 HZ PHE 5 -3.248 -8.761 -0.100 49 H SER 6 H SER 6 -3.258 -0.549 -0.625 50 HA SER 6 HA SER 6 -0.962 -1.289 -2.495 51 HB2 SER 6 2HB SER 6 -2.288 1.328 -3.053 52 HB3 SER 6 1HB SER 6 -1.840 0.007 -4.115 53 HG SER 6 HG SER 6 -4.029 0.074 -4.144 54 H LYS 7 H LYS 7 -1.292 0.341 0.396 55 HA LYS 7 HA LYS 7 0.929 2.366 -0.109 56 HB2 LYS 7 2HB LYS 7 -1.441 2.485 1.521 57 HB3 LYS 7 1HB LYS 7 -0.191 2.161 2.685 58 HG2 LYS 7 2HG LYS 7 1.110 4.172 1.446 59 HG3 LYS 7 1HG LYS 7 -0.463 4.505 0.719 60 HD2 LYS 7 2HD LYS 7 -1.509 4.803 2.962 61 HD3 LYS 7 1HD LYS 7 -0.033 4.309 3.779 62 HE2 LYS 7 2HE LYS 7 1.165 6.278 3.340 63 HE3 LYS 7 1HE LYS 7 0.354 6.618 1.820 64 HZ1 LYS 7 1HZ LYS 7 -0.418 8.181 3.574 65 HZ2 LYS 7 2HZ LYS 7 -1.683 7.261 3.078 66 HZ3 LYS 7 3HZ LYS 7 -0.962 6.947 4.519 67 H PHE 8 H PHE 8 0.356 -0.567 1.786 68 HA PHE 8 HA PHE 8 3.184 -0.628 2.846 69 HB2 PHE 8 2HB PHE 8 2.570 -2.280 4.248 70 HB3 PHE 8 1HB PHE 8 1.023 -1.539 4.077 71 HD1 PHE 8 HD1 PHE 8 -0.360 -2.668 1.840 72 HD2 PHE 8 HD2 PHE 8 2.606 -4.640 4.225 73 HE1 PHE 8 HE1 PHE 8 -1.111 -4.857 0.987 74 HE2 PHE 8 HE2 PHE 8 1.801 -6.817 3.400 75 HZ PHE 8 HZ PHE 8 -0.058 -6.915 1.768 76 H LEU 9 H LEU 9 1.381 -2.313 0.300 77 HA LEU 9 HA LEU 9 3.186 -4.306 -0.440 78 HB2 LEU 9 2HB LEU 9 0.797 -3.808 -1.235 79 HB3 LEU 9 1HB LEU 9 1.453 -2.757 -2.449 80 HG LEU 9 HG LEU 9 2.795 -5.421 -2.520 81 HD11 LEU 9 1HD1 LEU 9 0.880 -6.449 -1.551 82 HD12 LEU 9 2HD1 LEU 9 -0.267 -5.491 -2.514 83 HD13 LEU 9 3HD1 LEU 9 0.733 -6.743 -3.294 84 HD21 LEU 9 1HD2 LEU 9 2.748 -3.816 -4.456 85 HD22 LEU 9 2HD2 LEU 9 2.095 -5.401 -4.902 86 HD23 LEU 9 3HD2 LEU 9 0.985 -4.043 -4.610 87 H GLY 10 H GLY 10 3.335 -1.017 -1.784 88 HA2 GLY 10 1HA GLY 10 5.615 -1.074 -3.559 89 HA3 GLY 10 2HA GLY 10 5.261 0.251 -2.474 90 H ARG 11 H ARG 11 5.731 -0.932 -0.028 91 HA ARG 11 HA ARG 11 8.745 -1.103 0.170 92 HB2 ARG 11 2HB ARG 11 6.457 -1.164 2.236 93 HB3 ARG 11 1HB ARG 11 8.087 -1.513 2.708 94 HG2 ARG 11 2HG ARG 11 7.406 1.134 1.273 95 HG3 ARG 11 1HG ARG 11 7.163 0.905 2.983 96 HD2 ARG 11 2HD ARG 11 9.866 -0.055 2.566 97 HD3 ARG 11 1HD ARG 11 9.715 1.271 1.406 98 HE ARG 11 HE ARG 11 8.651 2.051 4.079 99 HH11 ARG 11 1HH1 ARG 11 12.565 2.676 3.595 100 HH12 ARG 11 2HH1 ARG 11 11.672 1.577 2.436 101 HH21 ARG 11 1HH2 ARG 11 11.458 3.587 5.187 102 HH22 ARG 11 2HH2 ARG 11 9.673 3.280 5.375 103 H ILE 12 H ILE 12 6.025 -3.376 0.732 104 HA ILE 12 HA ILE 12 7.645 -5.724 1.471 105 HB ILE 12 HB ILE 12 4.924 -5.595 0.083 106 HG12 ILE 12 2HG1 ILE 12 4.851 -4.473 2.303 107 HG13 ILE 12 1HG1 ILE 12 3.824 -5.863 2.166 108 HG21 ILE 12 1HG2 ILE 12 4.473 -7.928 1.002 109 HG22 ILE 12 2HG2 ILE 12 5.688 -7.872 -0.285 110 HG23 ILE 12 3HG2 ILE 12 6.203 -8.052 1.406 111 HD11 ILE 12 1HD1 ILE 12 6.572 -6.004 3.587 112 HD12 ILE 12 2HD1 ILE 12 5.045 -5.624 4.419 113 HD13 ILE 12 3HD1 ILE 12 5.260 -7.210 3.648 114 H LEU 13 H LEU 13 6.688 -4.578 -1.750 115 HA LEU 13 HA LEU 13 7.888 -6.738 -3.331 116 HB2 LEU 13 2HB LEU 13 6.997 -3.845 -3.846 117 HB3 LEU 13 1HB LEU 13 7.917 -4.625 -5.073 118 HG LEU 13 HG LEU 13 5.314 -4.638 -5.180 119 HD11 LEU 13 1HD1 LEU 13 5.431 -7.077 -6.278 120 HD12 LEU 13 2HD1 LEU 13 6.377 -5.744 -6.959 121 HD13 LEU 13 3HD1 LEU 13 7.168 -6.955 -5.921 122 HD21 LEU 13 1HD2 LEU 13 4.884 -5.707 -2.917 123 HD22 LEU 13 2HD2 LEU 13 4.088 -6.536 -4.265 124 HD23 LEU 13 3HD2 LEU 13 5.549 -7.225 -3.519 125 HN1 NH2 14 1HN NH2 14 11.109 -4.218 -2.972 126 HN2 NH2 14 2HN NH2 14 9.434 -3.454 -2.876 Start of MODEL 2 1 H1 PHE 1 1H PHE 1 -11.637 7.644 -0.278 2 H2 PHE 1 2H PHE 1 -11.095 7.165 1.210 3 H3 PHE 1 3H PHE 1 -10.259 8.298 0.350 4 HA PHE 1 HA PHE 1 -10.599 5.437 -0.465 5 HB2 PHE 1 2HB PHE 1 -8.927 7.640 -1.851 6 HB3 PHE 1 1HB PHE 1 -8.928 5.954 -2.270 7 HD1 PHE 1 HD1 PHE 1 -10.896 9.075 -2.413 8 HD2 PHE 1 HD2 PHE 1 -10.887 4.891 -3.438 9 HE1 PHE 1 HE1 PHE 1 -12.888 9.404 -3.810 10 HE2 PHE 1 HE2 PHE 1 -12.864 5.248 -4.859 11 HZ PHE 1 HZ PHE 1 -13.878 7.498 -5.035 12 H VAL 2 H VAL 2 -9.517 4.327 1.112 13 HA VAL 2 HA VAL 2 -6.641 5.202 1.735 14 HB VAL 2 HB VAL 2 -8.445 3.951 3.849 15 HG11 VAL 2 1HG1 VAL 2 -5.848 5.470 4.464 16 HG12 VAL 2 2HG1 VAL 2 -6.661 4.176 5.364 17 HG13 VAL 2 3HG1 VAL 2 -5.749 3.783 3.904 18 HG21 VAL 2 1HG2 VAL 2 -7.811 6.948 3.453 19 HG22 VAL 2 2HG2 VAL 2 -9.397 6.173 3.647 20 HG23 VAL 2 3HG2 VAL 2 -8.301 6.278 5.031 21 HA JKH 3 HA CAP 3 -6.594 0.736 0.228 22 HD2 JKH 3 1HD CAP 3 -7.265 4.117 -1.183 23 HD3 JKH 3 2HD CAP 3 -5.826 4.823 -0.423 24 HB3 JKH 3 2HB CAP 3 -4.982 0.963 -1.957 25 HB2 JKH 3 1HB CAP 3 -6.682 1.389 -2.009 26 HG JKH 3 HG CAP 3 -5.786 3.422 -2.861 27 HG22 JKH 3 1HG2 CAP 3 -3.734 4.403 -1.797 28 HG21 JKH 3 2HG2 CAP 3 -3.633 3.027 -0.839 29 HG23 JKH 3 3HG2 CAP 3 -3.447 2.918 -2.455 30 H TRP 4 H TRP 4 -5.656 1.161 2.458 31 HA TRP 4 HA TRP 4 -2.829 1.271 3.059 32 HB2 TRP 4 1HB TRP 4 -3.333 -0.138 5.076 33 HB3 TRP 4 2HB TRP 4 -4.292 1.301 4.903 34 HD1 TRP 4 HD1 TRP 4 -6.938 1.074 4.667 35 HE1 TRP 4 HE1 TRP 4 -8.724 -0.879 4.765 36 HE3 TRP 4 HE3 TRP 4 -3.594 -2.792 4.558 37 HZ2 TRP 4 HZ2 TRP 4 -8.511 -3.708 4.732 38 HZ3 TRP 4 HZ3 TRP 4 -4.453 -5.109 4.529 39 HH2 TRP 4 HH2 TRP 4 -6.871 -5.564 4.626 40 H PHE 5 H PHE 5 -4.607 -1.472 1.794 41 HA PHE 5 HA PHE 5 -2.588 -3.487 1.695 42 HB2 PHE 5 2HB PHE 5 -5.207 -3.092 0.546 43 HB3 PHE 5 1HB PHE 5 -4.216 -3.240 -0.855 44 HD1 PHE 5 HD1 PHE 5 -6.022 -5.055 1.582 45 HD2 PHE 5 HD2 PHE 5 -2.425 -5.313 -0.767 46 HE1 PHE 5 HE1 PHE 5 -5.974 -7.490 1.912 47 HE2 PHE 5 HE2 PHE 5 -2.382 -7.749 -0.415 48 HZ PHE 5 HZ PHE 5 -4.152 -8.842 0.926 49 H SER 6 H SER 6 -2.978 -0.872 -0.683 50 HA SER 6 HA SER 6 -0.439 -1.528 -2.173 51 HB2 SER 6 2HB SER 6 -2.407 0.828 -2.351 52 HB3 SER 6 1HB SER 6 -0.918 0.744 -3.302 53 HG SER 6 HG SER 6 -2.517 -0.194 -4.521 54 H LYS 7 H LYS 7 -1.338 0.811 0.365 55 HA LYS 7 HA LYS 7 1.213 2.329 0.447 56 HB2 LYS 7 2HB LYS 7 -0.702 1.731 2.781 57 HB3 LYS 7 1HB LYS 7 0.626 2.862 2.840 58 HG2 LYS 7 2HG LYS 7 -0.468 4.202 0.934 59 HG3 LYS 7 1HG LYS 7 -1.858 3.122 1.062 60 HD2 LYS 7 2HD LYS 7 -1.725 3.818 3.704 61 HD3 LYS 7 1HD LYS 7 -0.822 5.184 3.104 62 HE2 LYS 7 2HE LYS 7 -3.704 4.362 2.272 63 HE3 LYS 7 1HE LYS 7 -3.305 5.620 3.436 64 HZ1 LYS 7 1HZ LYS 7 -3.687 6.589 1.142 65 HZ2 LYS 7 2HZ LYS 7 -2.163 6.900 1.665 66 HZ3 LYS 7 3HZ LYS 7 -2.389 5.731 0.564 67 H PHE 8 H PHE 8 0.282 -0.739 1.975 68 HA PHE 8 HA PHE 8 3.034 -1.020 3.170 69 HB2 PHE 8 2HB PHE 8 0.976 -1.831 4.424 70 HB3 PHE 8 1HB PHE 8 0.719 -3.028 3.179 71 HD1 PHE 8 HD1 PHE 8 4.186 -2.148 4.562 72 HD2 PHE 8 HD2 PHE 8 0.911 -4.956 4.612 73 HE1 PHE 8 HE1 PHE 8 5.596 -3.774 5.685 74 HE2 PHE 8 HE2 PHE 8 2.348 -6.567 5.792 75 HZ PHE 8 HZ PHE 8 4.697 -5.988 6.312 76 H LEU 9 H LEU 9 1.138 -2.958 0.748 77 HA LEU 9 HA LEU 9 3.226 -4.678 -0.099 78 HB2 LEU 9 2HB LEU 9 0.694 -4.645 -0.678 79 HB3 LEU 9 1HB LEU 9 1.068 -3.540 -1.959 80 HG LEU 9 HG LEU 9 2.862 -5.911 -2.100 81 HD11 LEU 9 1HD1 LEU 9 1.264 -7.721 -2.439 82 HD12 LEU 9 2HD1 LEU 9 1.097 -7.068 -0.799 83 HD13 LEU 9 3HD1 LEU 9 -0.111 -6.653 -2.043 84 HD21 LEU 9 1HD2 LEU 9 2.414 -4.562 -4.104 85 HD22 LEU 9 2HD2 LEU 9 1.733 -6.174 -4.393 86 HD23 LEU 9 3HD2 LEU 9 0.656 -4.823 -3.979 87 H GLY 10 H GLY 10 2.696 -1.409 -1.443 88 HA2 GLY 10 1HA GLY 10 4.730 -1.149 -3.472 89 HA3 GLY 10 2HA GLY 10 4.310 0.109 -2.331 90 H ARG 11 H ARG 11 5.252 -0.989 0.024 91 HA ARG 11 HA ARG 11 8.260 -0.676 -0.152 92 HB2 ARG 11 2HB ARG 11 6.281 -1.095 2.176 93 HB3 ARG 11 1HB ARG 11 7.993 -1.174 2.438 94 HG2 ARG 11 2HG ARG 11 6.718 1.328 1.151 95 HG3 ARG 11 1HG ARG 11 6.738 1.060 2.874 96 HD2 ARG 11 2HD ARG 11 9.470 0.545 2.122 97 HD3 ARG 11 1HD ARG 11 8.995 1.822 0.998 98 HE ARG 11 HE ARG 11 8.052 2.691 3.586 99 HH11 ARG 11 1HH1 ARG 11 12.036 2.967 3.448 100 HH12 ARG 11 2HH1 ARG 11 11.157 1.917 2.235 101 HH21 ARG 11 1HH2 ARG 11 10.878 4.023 4.904 102 HH22 ARG 11 2HH2 ARG 11 9.065 3.871 4.945 103 H ILE 12 H ILE 12 5.989 -3.333 0.599 104 HA ILE 12 HA ILE 12 8.011 -5.393 1.205 105 HB ILE 12 HB ILE 12 5.272 -5.953 -0.052 106 HG12 ILE 12 2HG1 ILE 12 5.845 -5.629 2.962 107 HG13 ILE 12 1HG1 ILE 12 4.926 -4.530 1.984 108 HG21 ILE 12 1HG2 ILE 12 5.433 -8.191 1.000 109 HG22 ILE 12 2HG2 ILE 12 6.920 -7.941 0.097 110 HG23 ILE 12 3HG2 ILE 12 6.921 -7.749 1.865 111 HD11 ILE 12 1HD1 ILE 12 3.032 -5.645 2.509 112 HD12 ILE 12 2HD1 ILE 12 3.562 -7.030 1.549 113 HD13 ILE 12 3HD1 ILE 12 3.958 -6.953 3.280 114 H LEU 13 H LEU 13 6.534 -4.467 -1.896 115 HA LEU 13 HA LEU 13 7.915 -6.365 -3.651 116 HB2 LEU 13 2HB LEU 13 6.575 -3.624 -3.989 117 HB3 LEU 13 1HB LEU 13 7.472 -4.245 -5.317 118 HG LEU 13 HG LEU 13 4.913 -4.602 -5.214 119 HD11 LEU 13 1HD1 LEU 13 6.593 -7.079 -5.951 120 HD12 LEU 13 2HD1 LEU 13 5.019 -6.588 -6.628 121 HD13 LEU 13 3HD1 LEU 13 6.465 -5.616 -6.960 122 HD21 LEU 13 1HD2 LEU 13 4.040 -6.702 -4.244 123 HD22 LEU 13 2HD2 LEU 13 5.638 -7.141 -3.601 124 HD23 LEU 13 3HD2 LEU 13 4.789 -5.740 -2.956 125 HN1 NH2 14 1HN NH2 14 10.766 -3.446 -3.309 126 HN2 NH2 14 2HN NH2 14 9.052 -3.017 -2.798 Start of MODEL 3 1 H1 PHE 1 1H PHE 1 -11.274 8.008 -0.593 2 H2 PHE 1 2H PHE 1 -10.711 7.806 0.954 3 H3 PHE 1 3H PHE 1 -9.768 8.540 -0.173 4 HA PHE 1 HA PHE 1 -10.584 5.689 -0.293 5 HB2 PHE 1 2HB PHE 1 -9.054 5.453 -2.192 6 HB3 PHE 1 1HB PHE 1 -10.345 6.541 -2.556 7 HD1 PHE 1 HD1 PHE 1 -9.887 9.029 -2.816 8 HD2 PHE 1 HD2 PHE 1 -6.666 6.253 -2.157 9 HE1 PHE 1 HE1 PHE 1 -8.251 10.771 -3.384 10 HE2 PHE 1 HE2 PHE 1 -5.045 8.007 -2.742 11 HZ PHE 1 HZ PHE 1 -5.832 10.270 -3.340 12 H VAL 2 H VAL 2 -9.400 4.364 1.023 13 HA VAL 2 HA VAL 2 -6.536 5.189 1.721 14 HB VAL 2 HB VAL 2 -8.376 4.025 3.852 15 HG11 VAL 2 1HG1 VAL 2 -5.472 4.172 3.713 16 HG12 VAL 2 2HG1 VAL 2 -5.970 5.373 4.914 17 HG13 VAL 2 3HG1 VAL 2 -6.489 3.691 5.075 18 HG21 VAL 2 1HG2 VAL 2 -7.635 6.982 3.412 19 HG22 VAL 2 2HG2 VAL 2 -9.241 6.258 3.644 20 HG23 VAL 2 3HG2 VAL 2 -8.121 6.354 5.008 21 HA JKH 3 HA CAP 3 -6.586 0.725 0.221 22 HD2 JKH 3 1HD CAP 3 -7.115 4.137 -1.166 23 HD3 JKH 3 2HD CAP 3 -5.666 4.788 -0.370 24 HB3 JKH 3 2HB CAP 3 -4.928 0.923 -1.935 25 HB2 JKH 3 1HB CAP 3 -6.611 1.410 -2.012 26 HG JKH 3 HG CAP 3 -5.621 3.417 -2.823 27 HG22 JKH 3 1HG2 CAP 3 -3.561 4.325 -1.689 28 HG21 JKH 3 2HG2 CAP 3 -3.524 2.947 -0.751 29 HG23 JKH 3 3HG2 CAP 3 -3.300 2.839 -2.366 30 H TRP 4 H TRP 4 -5.652 1.138 2.479 31 HA TRP 4 HA TRP 4 -2.834 1.101 3.126 32 HB2 TRP 4 1HB TRP 4 -3.432 -0.291 5.116 33 HB3 TRP 4 2HB TRP 4 -4.334 1.184 4.932 34 HD1 TRP 4 HD1 TRP 4 -6.984 1.058 4.654 35 HE1 TRP 4 HE1 TRP 4 -8.841 -0.828 4.719 36 HE3 TRP 4 HE3 TRP 4 -3.782 -2.925 4.571 37 HZ2 TRP 4 HZ2 TRP 4 -8.731 -3.664 4.676 38 HZ3 TRP 4 HZ3 TRP 4 -4.723 -5.210 4.514 39 HH2 TRP 4 HH2 TRP 4 -7.157 -5.578 4.579 40 H PHE 5 H PHE 5 -4.701 -1.562 1.821 41 HA PHE 5 HA PHE 5 -2.751 -3.646 1.716 42 HB2 PHE 5 2HB PHE 5 -5.340 -3.092 0.480 43 HB3 PHE 5 1HB PHE 5 -4.305 -3.401 -0.857 44 HD1 PHE 5 HD1 PHE 5 -2.591 -5.563 -0.423 45 HD2 PHE 5 HD2 PHE 5 -6.444 -4.966 1.401 46 HE1 PHE 5 HE1 PHE 5 -2.756 -7.973 0.040 47 HE2 PHE 5 HE2 PHE 5 -6.604 -7.379 1.834 48 HZ PHE 5 HZ PHE 5 -4.758 -8.888 1.169 49 H SER 6 H SER 6 -3.009 -0.965 -0.578 50 HA SER 6 HA SER 6 -0.497 -1.790 -2.057 51 HB2 SER 6 2HB SER 6 -2.715 -0.537 -3.071 52 HB3 SER 6 1HB SER 6 -1.834 0.901 -2.567 53 HG SER 6 HG SER 6 -0.840 -1.209 -4.213 54 H LYS 7 H LYS 7 -1.459 0.679 0.298 55 HA LYS 7 HA LYS 7 1.022 2.231 0.409 56 HB2 LYS 7 2HB LYS 7 -1.457 2.292 1.825 57 HB3 LYS 7 1HB LYS 7 -0.365 1.740 3.056 58 HG2 LYS 7 2HG LYS 7 1.137 3.872 2.140 59 HG3 LYS 7 1HG LYS 7 -0.413 4.364 1.495 60 HD2 LYS 7 2HD LYS 7 -1.089 3.698 4.203 61 HD3 LYS 7 1HD LYS 7 0.583 4.139 4.352 62 HE2 LYS 7 2HE LYS 7 -0.502 6.203 4.767 63 HE3 LYS 7 1HE LYS 7 0.020 6.388 3.096 64 HZ1 LYS 7 1HZ LYS 7 -2.395 6.965 3.307 65 HZ2 LYS 7 2HZ LYS 7 -2.284 5.583 2.414 66 HZ3 LYS 7 3HZ LYS 7 -2.739 5.506 3.985 67 H PHE 8 H PHE 8 0.229 -0.827 2.000 68 HA PHE 8 HA PHE 8 2.993 -1.001 3.195 69 HB2 PHE 8 2HB PHE 8 0.951 -1.856 4.467 70 HB3 PHE 8 1HB PHE 8 0.738 -3.082 3.243 71 HD1 PHE 8 HD1 PHE 8 4.139 -2.031 4.675 72 HD2 PHE 8 HD2 PHE 8 1.015 -5.005 4.659 73 HE1 PHE 8 HE1 PHE 8 5.604 -3.579 5.843 74 HE2 PHE 8 HE2 PHE 8 2.501 -6.533 5.885 75 HZ PHE 8 HZ PHE 8 4.803 -5.833 6.461 76 H LEU 9 H LEU 9 1.140 -3.074 0.855 77 HA LEU 9 HA LEU 9 3.278 -4.711 0.005 78 HB2 LEU 9 2HB LEU 9 0.730 -4.780 -0.564 79 HB3 LEU 9 1HB LEU 9 1.077 -3.715 -1.886 80 HG LEU 9 HG LEU 9 2.966 -6.000 -1.933 81 HD11 LEU 9 1HD1 LEU 9 0.118 -7.068 -2.107 82 HD12 LEU 9 2HD1 LEU 9 1.668 -7.934 -1.958 83 HD13 LEU 9 3HD1 LEU 9 1.009 -7.065 -0.565 84 HD21 LEU 9 1HD2 LEU 9 0.696 -5.140 -3.849 85 HD22 LEU 9 2HD2 LEU 9 2.426 -4.741 -3.981 86 HD23 LEU 9 3HD2 LEU 9 1.879 -6.414 -4.212 87 H GLY 10 H GLY 10 2.607 -1.505 -1.420 88 HA2 GLY 10 1HA GLY 10 4.589 -1.221 -3.494 89 HA3 GLY 10 2HA GLY 10 4.137 0.047 -2.378 90 H ARG 11 H ARG 11 5.165 -0.950 -0.015 91 HA ARG 11 HA ARG 11 8.155 -0.503 -0.263 92 HB2 ARG 11 2HB ARG 11 6.244 -0.933 2.119 93 HB3 ARG 11 1HB ARG 11 7.965 -0.905 2.341 94 HG2 ARG 11 2HG ARG 11 6.568 1.468 0.936 95 HG3 ARG 11 1HG ARG 11 6.519 1.290 2.662 96 HD2 ARG 11 2HD ARG 11 9.349 0.917 2.007 97 HD3 ARG 11 1HD ARG 11 8.799 2.116 0.878 98 HE ARG 11 HE ARG 11 8.589 3.709 2.677 99 HH11 ARG 11 1HH1 ARG 11 8.691 1.155 5.767 100 HH12 ARG 11 2HH1 ARG 11 8.647 0.529 4.046 101 HH21 ARG 11 1HH2 ARG 11 8.668 3.276 6.052 102 HH22 ARG 11 2HH2 ARG 11 8.624 4.417 4.633 103 H ILE 12 H ILE 12 6.017 -3.230 0.599 104 HA ILE 12 HA ILE 12 8.145 -5.181 1.234 105 HB ILE 12 HB ILE 12 5.411 -5.894 0.046 106 HG12 ILE 12 2HG1 ILE 12 6.021 -5.474 3.043 107 HG13 ILE 12 1HG1 ILE 12 5.039 -4.436 2.059 108 HG21 ILE 12 1HG2 ILE 12 5.697 -8.094 1.149 109 HG22 ILE 12 2HG2 ILE 12 7.158 -7.798 0.219 110 HG23 ILE 12 3HG2 ILE 12 7.172 -7.560 1.981 111 HD11 ILE 12 1HD1 ILE 12 4.188 -6.847 3.438 112 HD12 ILE 12 2HD1 ILE 12 3.198 -5.621 2.613 113 HD13 ILE 12 3HD1 ILE 12 3.792 -7.022 1.714 114 H LEU 13 H LEU 13 6.601 -4.348 -1.855 115 HA LEU 13 HA LEU 13 8.002 -6.265 -3.577 116 HB2 LEU 13 2HB LEU 13 6.485 -3.626 -3.972 117 HB3 LEU 13 1HB LEU 13 7.390 -4.224 -5.308 118 HG LEU 13 HG LEU 13 4.860 -4.771 -5.099 119 HD11 LEU 13 1HD1 LEU 13 5.488 -7.281 -6.092 120 HD12 LEU 13 2HD1 LEU 13 5.672 -5.773 -6.997 121 HD13 LEU 13 3HD1 LEU 13 7.079 -6.505 -6.193 122 HD21 LEU 13 1HD2 LEU 13 5.815 -7.186 -3.440 123 HD22 LEU 13 2HD2 LEU 13 4.904 -5.813 -2.808 124 HD23 LEU 13 3HD2 LEU 13 4.172 -6.863 -4.034 125 HN1 NH2 14 1HN NH2 14 10.674 -3.150 -3.716 126 HN2 NH2 14 2HN NH2 14 8.904 -2.719 -3.421 Start of MODEL 4 1 H1 PHE 1 1H PHE 1 -11.982 6.569 -0.178 2 H2 PHE 1 2H PHE 1 -11.280 5.411 0.761 3 H3 PHE 1 3H PHE 1 -11.225 6.991 1.223 4 HA PHE 1 HA PHE 1 -9.866 5.881 -1.216 5 HB2 PHE 1 2HB PHE 1 -9.929 8.769 -0.101 6 HB3 PHE 1 1HB PHE 1 -8.868 8.228 -1.358 7 HD1 PHE 1 HD1 PHE 1 -9.618 7.927 -3.669 8 HD2 PHE 1 HD2 PHE 1 -12.468 8.833 -0.569 9 HE1 PHE 1 HE1 PHE 1 -11.355 8.331 -5.365 10 HE2 PHE 1 HE2 PHE 1 -14.200 9.175 -2.271 11 HZ PHE 1 HZ PHE 1 -13.652 8.937 -4.671 12 H VAL 2 H VAL 2 -9.278 4.372 0.869 13 HA VAL 2 HA VAL 2 -6.506 5.291 1.710 14 HB VAL 2 HB VAL 2 -8.384 4.051 3.782 15 HG11 VAL 2 1HG1 VAL 2 -6.619 4.450 5.382 16 HG12 VAL 2 2HG1 VAL 2 -5.791 3.732 3.993 17 HG13 VAL 2 3HG1 VAL 2 -5.692 5.487 4.274 18 HG21 VAL 2 1HG2 VAL 2 -9.296 6.297 3.564 19 HG22 VAL 2 2HG2 VAL 2 -8.244 6.364 4.983 20 HG23 VAL 2 3HG2 VAL 2 -7.690 7.042 3.430 21 HA JKH 3 HA CAP 3 -6.532 0.837 0.146 22 HD2 JKH 3 1HD CAP 3 -7.105 4.255 -1.228 23 HD3 JKH 3 2HD CAP 3 -5.676 4.921 -0.413 24 HB3 JKH 3 2HB CAP 3 -4.860 1.077 -1.996 25 HB2 JKH 3 1HB CAP 3 -6.550 1.536 -2.082 26 HG JKH 3 HG CAP 3 -5.582 3.565 -2.872 27 HG22 JKH 3 1HG2 CAP 3 -3.567 4.514 -1.695 28 HG21 JKH 3 2HG2 CAP 3 -3.509 3.136 -0.767 29 HG23 JKH 3 3HG2 CAP 3 -3.253 3.041 -2.382 30 H TRP 4 H TRP 4 -5.625 1.258 2.416 31 HA TRP 4 HA TRP 4 -2.813 1.267 3.081 32 HB2 TRP 4 1HB TRP 4 -3.402 -0.139 5.070 33 HB3 TRP 4 2HB TRP 4 -4.329 1.320 4.882 34 HD1 TRP 4 HD1 TRP 4 -6.974 1.145 4.595 35 HE1 TRP 4 HE1 TRP 4 -8.798 -0.775 4.648 36 HE3 TRP 4 HE3 TRP 4 -3.701 -2.781 4.517 37 HZ2 TRP 4 HZ2 TRP 4 -8.636 -3.608 4.600 38 HZ3 TRP 4 HZ3 TRP 4 -4.601 -5.082 4.454 39 HH2 TRP 4 HH2 TRP 4 -7.029 -5.494 4.507 40 H PHE 5 H PHE 5 -4.627 -1.416 1.750 41 HA PHE 5 HA PHE 5 -2.642 -3.469 1.658 42 HB2 PHE 5 2HB PHE 5 -5.242 -3.011 0.478 43 HB3 PHE 5 1HB PHE 5 -4.233 -3.187 -0.906 44 HD1 PHE 5 HD1 PHE 5 -2.433 -5.291 -0.692 45 HD2 PHE 5 HD2 PHE 5 -6.181 -4.967 1.400 46 HE1 PHE 5 HE1 PHE 5 -2.457 -7.725 -0.339 47 HE2 PHE 5 HE2 PHE 5 -6.202 -7.403 1.724 48 HZ PHE 5 HZ PHE 5 -4.338 -8.787 0.869 49 H SER 6 H SER 6 -2.944 -0.804 -0.670 50 HA SER 6 HA SER 6 -0.429 -1.541 -2.182 51 HB2 SER 6 2HB SER 6 -2.439 -0.413 -3.297 52 HB3 SER 6 1HB SER 6 -2.109 1.038 -2.345 53 HG SER 6 HG SER 6 0.118 0.861 -3.302 54 H LYS 7 H LYS 7 -1.352 0.803 0.321 55 HA LYS 7 HA LYS 7 1.161 2.325 0.466 56 HB2 LYS 7 2HB LYS 7 -1.356 2.484 1.743 57 HB3 LYS 7 1HB LYS 7 -0.382 1.832 3.034 58 HG2 LYS 7 2HG LYS 7 1.231 3.765 2.788 59 HG3 LYS 7 1HG LYS 7 0.284 4.409 1.454 60 HD2 LYS 7 2HD LYS 7 -1.533 5.090 2.788 61 HD3 LYS 7 1HD LYS 7 -1.290 3.846 4.007 62 HE2 LYS 7 2HE LYS 7 0.811 5.035 4.831 63 HE3 LYS 7 1HE LYS 7 0.542 6.327 3.656 64 HZ1 LYS 7 1HZ LYS 7 -0.489 6.864 5.878 65 HZ2 LYS 7 2HZ LYS 7 -1.672 6.762 4.741 66 HZ3 LYS 7 3HZ LYS 7 -1.444 5.532 5.802 67 H PHE 8 H PHE 8 0.271 -0.751 1.972 68 HA PHE 8 HA PHE 8 3.027 -1.024 3.181 69 HB2 PHE 8 2HB PHE 8 0.965 -1.845 4.435 70 HB3 PHE 8 1HB PHE 8 0.710 -3.035 3.183 71 HD1 PHE 8 HD1 PHE 8 4.159 -2.151 4.608 72 HD2 PHE 8 HD2 PHE 8 0.906 -4.984 4.582 73 HE1 PHE 8 HE1 PHE 8 5.563 -3.778 5.742 74 HE2 PHE 8 HE2 PHE 8 2.334 -6.594 5.772 75 HZ PHE 8 HZ PHE 8 4.670 -6.003 6.336 76 H LEU 9 H LEU 9 1.119 -2.972 0.769 77 HA LEU 9 HA LEU 9 3.206 -4.686 -0.082 78 HB2 LEU 9 2HB LEU 9 0.670 -4.658 -0.665 79 HB3 LEU 9 1HB LEU 9 1.050 -3.564 -1.955 80 HG LEU 9 HG LEU 9 2.853 -5.922 -2.074 81 HD11 LEU 9 1HD1 LEU 9 1.338 -7.770 -2.328 82 HD12 LEU 9 2HD1 LEU 9 1.023 -7.038 -0.745 83 HD13 LEU 9 3HD1 LEU 9 -0.099 -6.738 -2.097 84 HD21 LEU 9 1HD2 LEU 9 1.759 -6.215 -4.364 85 HD22 LEU 9 2HD2 LEU 9 0.616 -4.916 -3.962 86 HD23 LEU 9 3HD2 LEU 9 2.359 -4.569 -4.083 87 H GLY 10 H GLY 10 2.672 -1.426 -1.434 88 HA2 GLY 10 1HA GLY 10 4.695 -1.170 -3.476 89 HA3 GLY 10 2HA GLY 10 4.273 0.091 -2.341 90 H ARG 11 H ARG 11 5.229 -1.004 0.019 91 HA ARG 11 HA ARG 11 8.234 -0.670 -0.173 92 HB2 ARG 11 2HB ARG 11 6.273 -1.106 2.166 93 HB3 ARG 11 1HB ARG 11 7.987 -1.176 2.416 94 HG2 ARG 11 2HG ARG 11 6.681 1.325 1.156 95 HG3 ARG 11 1HG ARG 11 6.731 1.043 2.880 96 HD2 ARG 11 2HD ARG 11 9.445 0.566 2.177 97 HD3 ARG 11 1HD ARG 11 8.983 1.753 0.949 98 HE ARG 11 HE ARG 11 8.005 2.747 3.510 99 HH11 ARG 11 1HH1 ARG 11 11.958 3.241 3.199 100 HH12 ARG 11 2HH1 ARG 11 11.097 2.079 2.079 101 HH21 ARG 11 1HH2 ARG 11 10.795 4.303 4.647 102 HH22 ARG 11 2HH2 ARG 11 8.996 4.051 4.768 103 H ILE 12 H ILE 12 5.984 -3.339 0.598 104 HA ILE 12 HA ILE 12 8.018 -5.390 1.189 105 HB ILE 12 HB ILE 12 5.272 -5.960 -0.048 106 HG12 ILE 12 2HG1 ILE 12 5.866 -5.644 2.964 107 HG13 ILE 12 1HG1 ILE 12 4.942 -4.538 1.998 108 HG21 ILE 12 1HG2 ILE 12 6.925 -7.942 0.084 109 HG22 ILE 12 2HG2 ILE 12 6.948 -7.750 1.851 110 HG23 ILE 12 3HG2 ILE 12 5.451 -8.198 1.006 111 HD11 ILE 12 1HD1 ILE 12 3.046 -5.655 2.507 112 HD12 ILE 12 2HD1 ILE 12 3.584 -7.051 1.565 113 HD13 ILE 12 3HD1 ILE 12 3.973 -6.952 3.297 114 H LEU 13 H LEU 13 6.511 -4.473 -1.900 115 HA LEU 13 HA LEU 13 7.899 -6.353 -3.666 116 HB2 LEU 13 2HB LEU 13 6.520 -3.630 -3.992 117 HB3 LEU 13 1HB LEU 13 7.415 -4.237 -5.330 118 HG LEU 13 HG LEU 13 4.854 -4.656 -5.179 119 HD11 LEU 13 1HD1 LEU 13 5.392 -7.186 -6.220 120 HD12 LEU 13 2HD1 LEU 13 5.602 -5.663 -7.092 121 HD13 LEU 13 3HD1 LEU 13 6.998 -6.442 -6.314 122 HD21 LEU 13 1HD2 LEU 13 4.038 -6.747 -4.198 123 HD22 LEU 13 2HD2 LEU 13 5.651 -7.167 -3.581 124 HD23 LEU 13 3HD2 LEU 13 4.794 -5.771 -2.927 125 HN1 NH2 14 1HN NH2 14 10.770 -3.493 -3.246 126 HN2 NH2 14 2HN NH2 14 9.087 -3.105 -2.622 Start of MODEL 5 1 H1 PHE 1 1H PHE 1 -11.358 7.888 -0.264 2 H2 PHE 1 2H PHE 1 -10.842 7.353 1.215 3 H3 PHE 1 3H PHE 1 -9.970 8.489 0.399 4 HA PHE 1 HA PHE 1 -10.361 5.664 -0.507 5 HB2 PHE 1 2HB PHE 1 -8.684 7.925 -1.798 6 HB3 PHE 1 1HB PHE 1 -8.582 6.248 -2.233 7 HD1 PHE 1 HD1 PHE 1 -10.265 5.174 -3.671 8 HD2 PHE 1 HD2 PHE 1 -10.871 9.197 -2.255 9 HE1 PHE 1 HE1 PHE 1 -12.186 5.432 -5.185 10 HE2 PHE 1 HE2 PHE 1 -12.816 9.416 -3.733 11 HZ PHE 1 HZ PHE 1 -13.478 7.542 -5.205 12 H VAL 2 H VAL 2 -9.296 4.449 0.985 13 HA VAL 2 HA VAL 2 -6.424 5.239 1.694 14 HB VAL 2 HB VAL 2 -8.309 4.077 3.794 15 HG11 VAL 2 1HG1 VAL 2 -5.588 3.826 3.843 16 HG12 VAL 2 2HG1 VAL 2 -5.670 5.477 4.484 17 HG13 VAL 2 3HG1 VAL 2 -6.521 4.154 5.309 18 HG21 VAL 2 1HG2 VAL 2 -7.457 7.036 3.494 19 HG22 VAL 2 2HG2 VAL 2 -9.110 6.386 3.507 20 HG23 VAL 2 3HG2 VAL 2 -8.147 6.348 4.989 21 HA JKH 3 HA CAP 3 -6.586 0.763 0.195 22 HD2 JKH 3 1HD CAP 3 -7.056 4.179 -1.218 23 HD3 JKH 3 2HD CAP 3 -5.599 4.809 -0.423 24 HB3 JKH 3 2HB CAP 3 -4.923 0.918 -1.962 25 HB2 JKH 3 1HB CAP 3 -6.597 1.433 -2.041 26 HG JKH 3 HG CAP 3 -5.567 3.418 -2.864 27 HG22 JKH 3 1HG2 CAP 3 -3.509 4.310 -1.717 28 HG21 JKH 3 2HG2 CAP 3 -3.495 2.943 -0.769 29 HG23 JKH 3 3HG2 CAP 3 -3.254 2.815 -2.381 30 H TRP 4 H TRP 4 -5.637 1.171 2.454 31 HA TRP 4 HA TRP 4 -2.824 1.095 3.089 32 HB2 TRP 4 1HB TRP 4 -3.426 -0.274 5.093 33 HB3 TRP 4 2HB TRP 4 -4.307 1.213 4.901 34 HD1 TRP 4 HD1 TRP 4 -6.960 1.124 4.634 35 HE1 TRP 4 HE1 TRP 4 -8.844 -0.735 4.719 36 HE3 TRP 4 HE3 TRP 4 -3.816 -2.905 4.575 37 HZ2 TRP 4 HZ2 TRP 4 -8.774 -3.573 4.706 38 HZ3 TRP 4 HZ3 TRP 4 -4.790 -5.176 4.544 39 HH2 TRP 4 HH2 TRP 4 -7.227 -5.509 4.624 40 H PHE 5 H PHE 5 -4.715 -1.571 1.807 41 HA PHE 5 HA PHE 5 -2.754 -3.647 1.705 42 HB2 PHE 5 2HB PHE 5 -5.285 -2.949 0.221 43 HB3 PHE 5 1HB PHE 5 -4.179 -3.717 -0.847 44 HD1 PHE 5 HD1 PHE 5 -6.879 -4.546 1.006 45 HD2 PHE 5 HD2 PHE 5 -2.788 -5.809 0.558 46 HE1 PHE 5 HE1 PHE 5 -7.470 -6.790 1.820 47 HE2 PHE 5 HE2 PHE 5 -3.386 -8.030 1.415 48 HZ PHE 5 HZ PHE 5 -5.725 -8.530 2.046 49 H SER 6 H SER 6 -3.039 -1.034 -0.666 50 HA SER 6 HA SER 6 -0.482 -1.828 -2.095 51 HB2 SER 6 2HB SER 6 -2.381 0.570 -2.474 52 HB3 SER 6 1HB SER 6 -0.902 0.337 -3.407 53 HG SER 6 HG SER 6 -1.765 -1.744 -4.040 54 H LYS 7 H LYS 7 -1.495 0.645 0.253 55 HA LYS 7 HA LYS 7 0.982 2.201 0.354 56 HB2 LYS 7 2HB LYS 7 -1.511 2.298 1.720 57 HB3 LYS 7 1HB LYS 7 -0.445 1.780 2.997 58 HG2 LYS 7 2HG LYS 7 1.087 3.837 2.302 59 HG3 LYS 7 1HG LYS 7 -0.213 4.283 1.222 60 HD2 LYS 7 2HD LYS 7 -0.790 5.585 3.011 61 HD3 LYS 7 1HD LYS 7 -1.805 4.204 3.372 62 HE2 LYS 7 2HE LYS 7 -0.343 3.403 5.162 63 HE3 LYS 7 1HE LYS 7 1.043 4.320 4.582 64 HZ1 LYS 7 1HZ LYS 7 0.015 5.503 6.493 65 HZ2 LYS 7 2HZ LYS 7 -0.160 6.426 5.150 66 HZ3 LYS 7 3HZ LYS 7 -1.444 5.596 5.736 67 H PHE 8 H PHE 8 0.206 -0.841 1.973 68 HA PHE 8 HA PHE 8 2.969 -0.982 3.179 69 HB2 PHE 8 2HB PHE 8 0.925 -1.847 4.444 70 HB3 PHE 8 1HB PHE 8 0.732 -3.082 3.227 71 HD1 PHE 8 HD1 PHE 8 4.109 -1.987 4.682 72 HD2 PHE 8 HD2 PHE 8 1.018 -4.996 4.654 73 HE1 PHE 8 HE1 PHE 8 5.579 -3.511 5.872 74 HE2 PHE 8 HE2 PHE 8 2.510 -6.500 5.904 75 HZ PHE 8 HZ PHE 8 4.798 -5.770 6.497 76 H LEU 9 H LEU 9 1.152 -3.104 0.855 77 HA LEU 9 HA LEU 9 3.313 -4.726 0.023 78 HB2 LEU 9 2HB LEU 9 0.774 -4.834 -0.525 79 HB3 LEU 9 1HB LEU 9 1.085 -3.758 -1.846 80 HG LEU 9 HG LEU 9 2.990 -6.034 -1.961 81 HD11 LEU 9 1HD1 LEU 9 0.069 -6.861 -1.565 82 HD12 LEU 9 2HD1 LEU 9 1.298 -7.889 -2.346 83 HD13 LEU 9 3HD1 LEU 9 1.513 -7.384 -0.661 84 HD21 LEU 9 1HD2 LEU 9 0.694 -5.129 -3.820 85 HD22 LEU 9 2HD2 LEU 9 2.433 -4.769 -3.979 86 HD23 LEU 9 3HD2 LEU 9 1.847 -6.424 -4.213 87 H GLY 10 H GLY 10 2.607 -1.538 -1.426 88 HA2 GLY 10 1HA GLY 10 4.597 -1.250 -3.495 89 HA3 GLY 10 2HA GLY 10 4.122 0.025 -2.397 90 H ARG 11 H ARG 11 5.156 -0.950 -0.014 91 HA ARG 11 HA ARG 11 8.142 -0.471 -0.246 92 HB2 ARG 11 2HB ARG 11 6.232 -0.942 2.130 93 HB3 ARG 11 1HB ARG 11 7.952 -0.907 2.359 94 HG2 ARG 11 2HG ARG 11 6.495 1.471 1.041 95 HG3 ARG 11 1HG ARG 11 6.564 1.249 2.772 96 HD2 ARG 11 2HD ARG 11 9.286 0.944 2.190 97 HD3 ARG 11 1HD ARG 11 8.858 1.953 0.839 98 HE ARG 11 HE ARG 11 8.914 2.690 3.760 99 HH11 ARG 11 1HH1 ARG 11 7.226 5.372 1.323 100 HH12 ARG 11 2HH1 ARG 11 7.578 3.676 0.723 101 HH21 ARG 11 1HH2 ARG 11 7.741 5.843 3.355 102 HH22 ARG 11 2HH2 ARG 11 8.510 4.593 4.433 103 H ILE 12 H ILE 12 6.024 -3.215 0.621 104 HA ILE 12 HA ILE 12 8.163 -5.143 1.265 105 HB ILE 12 HB ILE 12 5.438 -5.889 0.076 106 HG12 ILE 12 2HG1 ILE 12 6.034 -5.432 3.070 107 HG13 ILE 12 1HG1 ILE 12 5.047 -4.413 2.072 108 HG21 ILE 12 1HG2 ILE 12 7.204 -7.522 2.035 109 HG22 ILE 12 2HG2 ILE 12 5.737 -8.076 1.200 110 HG23 ILE 12 3HG2 ILE 12 7.201 -7.777 0.276 111 HD11 ILE 12 1HD1 ILE 12 4.210 -6.814 3.475 112 HD12 ILE 12 2HD1 ILE 12 3.213 -5.608 2.629 113 HD13 ILE 12 3HD1 ILE 12 3.824 -7.015 1.752 114 H LEU 13 H LEU 13 6.618 -4.358 -1.835 115 HA LEU 13 HA LEU 13 8.045 -6.271 -3.541 116 HB2 LEU 13 2HB LEU 13 6.509 -3.646 -3.954 117 HB3 LEU 13 1HB LEU 13 7.426 -4.241 -5.282 118 HG LEU 13 HG LEU 13 4.906 -4.802 -5.094 119 HD11 LEU 13 1HD1 LEU 13 5.590 -5.904 -6.957 120 HD12 LEU 13 2HD1 LEU 13 7.137 -6.414 -6.248 121 HD13 LEU 13 3HD1 LEU 13 5.677 -7.380 -5.987 122 HD21 LEU 13 1HD2 LEU 13 4.934 -5.822 -2.791 123 HD22 LEU 13 2HD2 LEU 13 4.203 -6.878 -4.012 124 HD23 LEU 13 3HD2 LEU 13 5.843 -7.202 -3.405 125 HN1 NH2 14 1HN NH2 14 10.691 -3.131 -3.640 126 HN2 NH2 14 2HN NH2 14 8.920 -2.722 -3.324 Start of MODEL 6 1 H1 PHE 1 1H PHE 1 -11.160 8.026 -0.669 2 H2 PHE 1 2H PHE 1 -10.669 7.818 0.899 3 H3 PHE 1 3H PHE 1 -9.649 8.502 -0.197 4 HA PHE 1 HA PHE 1 -10.603 5.671 -0.280 5 HB2 PHE 1 2HB PHE 1 -8.609 7.124 -2.161 6 HB3 PHE 1 1HB PHE 1 -8.877 5.407 -2.136 7 HD1 PHE 1 HD1 PHE 1 -10.365 8.637 -3.125 8 HD2 PHE 1 HD2 PHE 1 -10.997 4.378 -2.981 9 HE1 PHE 1 HE1 PHE 1 -12.324 8.868 -4.589 10 HE2 PHE 1 HE2 PHE 1 -12.937 4.627 -4.472 11 HZ PHE 1 HZ PHE 1 -13.615 6.870 -5.266 12 H VAL 2 H VAL 2 -9.442 4.363 1.046 13 HA VAL 2 HA VAL 2 -6.571 5.163 1.789 14 HB VAL 2 HB VAL 2 -8.466 3.892 3.815 15 HG11 VAL 2 1HG1 VAL 2 -6.712 4.270 5.438 16 HG12 VAL 2 2HG1 VAL 2 -5.896 3.532 4.053 17 HG13 VAL 2 3HG1 VAL 2 -5.757 5.285 4.333 18 HG21 VAL 2 1HG2 VAL 2 -7.909 6.876 3.358 19 HG22 VAL 2 2HG2 VAL 2 -9.419 6.059 3.813 20 HG23 VAL 2 3HG2 VAL 2 -8.145 6.290 5.019 21 HA JKH 3 HA CAP 3 -6.535 0.737 0.157 22 HD2 JKH 3 1HD CAP 3 -7.060 4.178 -1.171 23 HD3 JKH 3 2HD CAP 3 -5.655 4.828 -0.303 24 HB3 JKH 3 2HB CAP 3 -4.806 1.010 -1.935 25 HB2 JKH 3 1HB CAP 3 -6.491 1.477 -2.059 26 HG JKH 3 HG CAP 3 -5.494 3.516 -2.784 27 HG22 JKH 3 1HG2 CAP 3 -3.510 4.438 -1.537 28 HG21 JKH 3 2HG2 CAP 3 -3.481 3.045 -0.630 29 HG23 JKH 3 3HG2 CAP 3 -3.178 2.975 -2.237 30 H TRP 4 H TRP 4 -5.672 1.123 2.462 31 HA TRP 4 HA TRP 4 -2.875 1.107 3.184 32 HB2 TRP 4 1HB TRP 4 -3.507 -0.341 5.130 33 HB3 TRP 4 2HB TRP 4 -4.405 1.136 4.957 34 HD1 TRP 4 HD1 TRP 4 -7.044 1.019 4.630 35 HE1 TRP 4 HE1 TRP 4 -8.905 -0.863 4.607 36 HE3 TRP 4 HE3 TRP 4 -3.848 -2.968 4.509 37 HZ2 TRP 4 HZ2 TRP 4 -8.799 -3.698 4.492 38 HZ3 TRP 4 HZ3 TRP 4 -4.791 -5.248 4.374 39 HH2 TRP 4 HH2 TRP 4 -7.227 -5.612 4.377 40 H PHE 5 H PHE 5 -4.663 -1.550 1.772 41 HA PHE 5 HA PHE 5 -2.676 -3.611 1.712 42 HB2 PHE 5 2HB PHE 5 -5.265 -3.278 0.644 43 HB3 PHE 5 1HB PHE 5 -4.352 -3.189 -0.818 44 HD1 PHE 5 HD1 PHE 5 -2.474 -5.175 -1.105 45 HD2 PHE 5 HD2 PHE 5 -5.898 -5.374 1.497 46 HE1 PHE 5 HE1 PHE 5 -2.284 -7.627 -1.024 47 HE2 PHE 5 HE2 PHE 5 -5.703 -7.823 1.553 48 HZ PHE 5 HZ PHE 5 -3.890 -8.955 0.307 49 H SER 6 H SER 6 -2.982 -0.951 -0.618 50 HA SER 6 HA SER 6 -0.456 -1.668 -2.119 51 HB2 SER 6 2HB SER 6 -2.579 -0.564 -3.189 52 HB3 SER 6 1HB SER 6 -2.106 0.916 -2.351 53 HG SER 6 HG SER 6 -0.813 -0.462 -4.436 54 H LYS 7 H LYS 7 -1.446 0.738 0.309 55 HA LYS 7 HA LYS 7 1.034 2.278 0.481 56 HB2 LYS 7 2HB LYS 7 -1.489 2.268 1.876 57 HB3 LYS 7 1HB LYS 7 -0.382 1.808 3.109 58 HG2 LYS 7 2HG LYS 7 0.886 4.087 1.820 59 HG3 LYS 7 1HG LYS 7 -0.818 4.414 1.715 60 HD2 LYS 7 2HD LYS 7 -0.339 5.411 3.787 61 HD3 LYS 7 1HD LYS 7 -0.954 3.867 4.297 62 HE2 LYS 7 2HE LYS 7 1.008 4.225 5.647 63 HE3 LYS 7 1HE LYS 7 1.487 2.988 4.485 64 HZ1 LYS 7 1HZ LYS 7 3.184 4.828 4.603 65 HZ2 LYS 7 2HZ LYS 7 2.522 4.795 3.099 66 HZ3 LYS 7 3HZ LYS 7 2.060 5.948 4.164 67 H PHE 8 H PHE 8 0.254 -0.819 1.960 68 HA PHE 8 HA PHE 8 3.014 -0.986 3.194 69 HB2 PHE 8 2HB PHE 8 0.980 -1.839 4.478 70 HB3 PHE 8 1HB PHE 8 0.747 -3.054 3.248 71 HD1 PHE 8 HD1 PHE 8 1.024 -4.992 4.640 72 HD2 PHE 8 HD2 PHE 8 4.164 -2.035 4.668 73 HE1 PHE 8 HE1 PHE 8 2.505 -6.537 5.852 74 HE2 PHE 8 HE2 PHE 8 5.623 -3.600 5.822 75 HZ PHE 8 HZ PHE 8 4.812 -5.853 6.427 76 H LEU 9 H LEU 9 1.134 -3.036 0.846 77 HA LEU 9 HA LEU 9 3.262 -4.698 -0.003 78 HB2 LEU 9 2HB LEU 9 0.712 -4.757 -0.544 79 HB3 LEU 9 1HB LEU 9 1.045 -3.687 -1.866 80 HG LEU 9 HG LEU 9 2.914 -5.989 -1.965 81 HD11 LEU 9 1HD1 LEU 9 1.198 -7.149 -0.559 82 HD12 LEU 9 2HD1 LEU 9 -0.012 -6.885 -1.840 83 HD13 LEU 9 3HD1 LEU 9 1.429 -7.890 -2.153 84 HD21 LEU 9 1HD2 LEU 9 2.317 -4.717 -3.998 85 HD22 LEU 9 2HD2 LEU 9 1.767 -6.390 -4.212 86 HD23 LEU 9 3HD2 LEU 9 0.591 -5.119 -3.816 87 H GLY 10 H GLY 10 2.600 -1.485 -1.417 88 HA2 GLY 10 1HA GLY 10 4.577 -1.211 -3.500 89 HA3 GLY 10 2HA GLY 10 4.132 0.059 -2.384 90 H ARG 11 H ARG 11 5.162 -0.955 -0.022 91 HA ARG 11 HA ARG 11 8.151 -0.516 -0.267 92 HB2 ARG 11 2HB ARG 11 6.240 -0.970 2.110 93 HB3 ARG 11 1HB ARG 11 7.958 -0.979 2.337 94 HG2 ARG 11 2HG ARG 11 6.554 1.451 1.046 95 HG3 ARG 11 1HG ARG 11 6.639 1.207 2.775 96 HD2 ARG 11 2HD ARG 11 9.356 0.798 2.027 97 HD3 ARG 11 1HD ARG 11 8.835 1.959 0.799 98 HE ARG 11 HE ARG 11 7.871 2.970 3.348 99 HH11 ARG 11 1HH1 ARG 11 11.824 3.479 3.059 100 HH12 ARG 11 2HH1 ARG 11 10.977 2.299 1.946 101 HH21 ARG 11 1HH2 ARG 11 10.646 4.555 4.481 102 HH22 ARG 11 2HH2 ARG 11 8.848 4.298 4.595 103 H ILE 12 H ILE 12 6.008 -3.246 0.584 104 HA ILE 12 HA ILE 12 8.131 -5.207 1.191 105 HB ILE 12 HB ILE 12 5.388 -5.886 0.027 106 HG12 ILE 12 2HG1 ILE 12 5.996 -5.475 3.016 107 HG13 ILE 12 1HG1 ILE 12 5.012 -4.441 2.029 108 HG21 ILE 12 1HG2 ILE 12 7.510 -7.692 0.631 109 HG22 ILE 12 2HG2 ILE 12 6.508 -7.787 2.078 110 HG23 ILE 12 3HG2 ILE 12 5.795 -8.098 0.486 111 HD11 ILE 12 1HD1 ILE 12 4.165 -6.842 3.419 112 HD12 ILE 12 2HD1 ILE 12 3.166 -5.651 2.553 113 HD13 ILE 12 3HD1 ILE 12 3.809 -7.064 1.696 114 H LEU 13 H LEU 13 6.530 -4.409 -1.889 115 HA LEU 13 HA LEU 13 7.938 -6.295 -3.638 116 HB2 LEU 13 2HB LEU 13 6.483 -3.617 -4.005 117 HB3 LEU 13 1HB LEU 13 7.373 -4.234 -5.341 118 HG LEU 13 HG LEU 13 4.833 -4.689 -5.168 119 HD11 LEU 13 1HD1 LEU 13 6.364 -5.676 -6.934 120 HD12 LEU 13 2HD1 LEU 13 6.614 -7.100 -5.891 121 HD13 LEU 13 3HD1 LEU 13 4.992 -6.722 -6.525 122 HD21 LEU 13 1HD2 LEU 13 4.808 -5.773 -2.881 123 HD22 LEU 13 2HD2 LEU 13 4.070 -6.797 -4.128 124 HD23 LEU 13 3HD2 LEU 13 5.698 -7.155 -3.513 125 HN1 NH2 14 1HN NH2 14 10.672 -3.247 -3.464 126 HN2 NH2 14 2HN NH2 14 8.947 -2.863 -2.950 Start of MODEL 7 1 H1 PHE 1 1H PHE 1 -11.035 7.986 -1.125 2 H2 PHE 1 2H PHE 1 -10.305 8.401 0.305 3 H3 PHE 1 3H PHE 1 -9.399 8.208 -1.051 4 HA PHE 1 HA PHE 1 -10.875 6.055 0.392 5 HB2 PHE 1 2HB PHE 1 -9.120 5.836 -2.155 6 HB3 PHE 1 1HB PHE 1 -9.776 4.476 -1.289 7 HD1 PHE 1 HD1 PHE 1 -12.573 4.903 -0.750 8 HD2 PHE 1 HD2 PHE 1 -10.285 6.090 -4.206 9 HE1 PHE 1 HE1 PHE 1 -14.626 5.024 -2.079 10 HE2 PHE 1 HE2 PHE 1 -12.353 6.169 -5.528 11 HZ PHE 1 HZ PHE 1 -14.529 5.659 -4.467 12 H VAL 2 H VAL 2 -9.496 4.323 1.181 13 HA VAL 2 HA VAL 2 -6.622 5.173 1.827 14 HB VAL 2 HB VAL 2 -8.446 3.893 3.914 15 HG11 VAL 2 1HG1 VAL 2 -6.661 4.055 5.437 16 HG12 VAL 2 2HG1 VAL 2 -5.735 3.736 3.965 17 HG13 VAL 2 3HG1 VAL 2 -5.856 5.393 4.594 18 HG21 VAL 2 1HG2 VAL 2 -9.333 6.196 3.638 19 HG22 VAL 2 2HG2 VAL 2 -8.443 6.107 5.161 20 HG23 VAL 2 3HG2 VAL 2 -7.705 6.893 3.738 21 HA JKH 3 HA CAP 3 -6.632 0.707 0.266 22 HD2 JKH 3 1HD CAP 3 -7.278 4.103 -1.110 23 HD3 JKH 3 2HD CAP 3 -5.840 4.797 -0.337 24 HB3 JKH 3 2HB CAP 3 -5.007 0.951 -1.911 25 HB2 JKH 3 1HB CAP 3 -6.705 1.384 -1.966 26 HG JKH 3 HG CAP 3 -5.791 3.423 -2.789 27 HG22 JKH 3 1HG2 CAP 3 -3.755 4.402 -1.671 28 HG21 JKH 3 2HG2 CAP 3 -3.656 3.014 -0.747 29 HG23 JKH 3 3HG2 CAP 3 -3.445 2.935 -2.366 30 H TRP 4 H TRP 4 -5.672 1.121 2.508 31 HA TRP 4 HA TRP 4 -2.851 1.209 3.084 32 HB2 TRP 4 1HB TRP 4 -3.328 -0.202 5.104 33 HB3 TRP 4 2HB TRP 4 -4.292 1.236 4.940 34 HD1 TRP 4 HD1 TRP 4 -6.939 1.005 4.714 35 HE1 TRP 4 HE1 TRP 4 -8.721 -0.951 4.816 36 HE3 TRP 4 HE3 TRP 4 -3.589 -2.856 4.587 37 HZ2 TRP 4 HZ2 TRP 4 -8.503 -3.780 4.779 38 HZ3 TRP 4 HZ3 TRP 4 -4.444 -5.174 4.554 39 HH2 TRP 4 HH2 TRP 4 -6.860 -5.634 4.663 40 H PHE 5 H PHE 5 -4.622 -1.547 1.836 41 HA PHE 5 HA PHE 5 -2.581 -3.543 1.696 42 HB2 PHE 5 2HB PHE 5 -5.176 -2.987 0.329 43 HB3 PHE 5 1HB PHE 5 -4.064 -3.525 -0.866 44 HD1 PHE 5 HD1 PHE 5 -2.472 -5.637 -0.000 45 HD2 PHE 5 HD2 PHE 5 -6.454 -4.724 1.354 46 HE1 PHE 5 HE1 PHE 5 -2.773 -7.970 0.713 47 HE2 PHE 5 HE2 PHE 5 -6.750 -7.068 2.037 48 HZ PHE 5 HZ PHE 5 -4.908 -8.693 1.734 49 H SER 6 H SER 6 -2.996 -0.903 -0.635 50 HA SER 6 HA SER 6 -0.476 -1.576 -2.159 51 HB2 SER 6 2HB SER 6 -2.355 0.855 -2.330 52 HB3 SER 6 1HB SER 6 -0.967 0.573 -3.391 53 HG SER 6 HG SER 6 -3.203 -0.253 -4.028 54 H LYS 7 H LYS 7 -1.389 0.771 0.362 55 HA LYS 7 HA LYS 7 1.138 2.316 0.450 56 HB2 LYS 7 2HB LYS 7 -0.768 1.697 2.793 57 HB3 LYS 7 1HB LYS 7 0.553 2.831 2.830 58 HG2 LYS 7 2HG LYS 7 -0.574 4.075 0.836 59 HG3 LYS 7 1HG LYS 7 -2.009 3.103 1.157 60 HD2 LYS 7 2HD LYS 7 -2.270 4.019 3.422 61 HD3 LYS 7 1HD LYS 7 -0.656 4.730 3.403 62 HE2 LYS 7 2HE LYS 7 -1.324 6.290 1.509 63 HE3 LYS 7 1HE LYS 7 -2.964 5.629 1.531 64 HZ1 LYS 7 1HZ LYS 7 -2.777 7.677 2.958 65 HZ2 LYS 7 2HZ LYS 7 -3.159 6.390 3.911 66 HZ3 LYS 7 3HZ LYS 7 -1.630 6.969 3.892 67 H PHE 8 H PHE 8 0.262 -0.764 1.986 68 HA PHE 8 HA PHE 8 3.030 -1.005 3.156 69 HB2 PHE 8 2HB PHE 8 0.993 -1.837 4.431 70 HB3 PHE 8 1HB PHE 8 0.738 -3.040 3.191 71 HD1 PHE 8 HD1 PHE 8 0.961 -4.962 4.626 72 HD2 PHE 8 HD2 PHE 8 4.205 -2.119 4.546 73 HE1 PHE 8 HE1 PHE 8 2.422 -6.553 5.801 74 HE2 PHE 8 HE2 PHE 8 5.639 -3.726 5.666 75 HZ PHE 8 HZ PHE 8 4.768 -5.948 6.306 76 H LEU 9 H LEU 9 1.133 -2.972 0.759 77 HA LEU 9 HA LEU 9 3.230 -4.677 -0.095 78 HB2 LEU 9 2HB LEU 9 0.696 -4.681 -0.660 79 HB3 LEU 9 1HB LEU 9 1.047 -3.575 -1.949 80 HG LEU 9 HG LEU 9 2.878 -5.919 -2.084 81 HD11 LEU 9 1HD1 LEU 9 -0.074 -6.733 -2.099 82 HD12 LEU 9 2HD1 LEU 9 1.357 -7.766 -2.367 83 HD13 LEU 9 3HD1 LEU 9 1.068 -7.056 -0.769 84 HD21 LEU 9 1HD2 LEU 9 0.664 -4.862 -3.969 85 HD22 LEU 9 2HD2 LEU 9 2.419 -4.586 -4.094 86 HD23 LEU 9 3HD2 LEU 9 1.752 -6.205 -4.378 87 H GLY 10 H GLY 10 2.642 -1.432 -1.468 88 HA2 GLY 10 1HA GLY 10 4.653 -1.153 -3.518 89 HA3 GLY 10 2HA GLY 10 4.230 0.101 -2.373 90 H ARG 11 H ARG 11 5.198 -1.063 -0.022 91 HA ARG 11 HA ARG 11 8.195 -0.695 -0.295 92 HB2 ARG 11 2HB ARG 11 6.496 -1.207 2.233 93 HB3 ARG 11 1HB ARG 11 8.205 -0.853 2.217 94 HG2 ARG 11 2HG ARG 11 5.921 1.065 1.439 95 HG3 ARG 11 1HG ARG 11 6.914 1.134 2.864 96 HD2 ARG 11 2HD ARG 11 8.814 1.215 0.615 97 HD3 ARG 11 1HD ARG 11 7.441 2.133 0.082 98 HE ARG 11 HE ARG 11 8.116 3.889 1.574 99 HH11 ARG 11 1HH1 ARG 11 10.456 1.742 4.028 100 HH12 ARG 11 2HH1 ARG 11 9.459 0.921 2.728 101 HH21 ARG 11 1HH2 ARG 11 10.312 3.878 4.175 102 HH22 ARG 11 2HH2 ARG 11 9.242 4.829 3.045 103 H ILE 12 H ILE 12 5.993 -3.331 0.573 104 HA ILE 12 HA ILE 12 8.043 -5.368 1.173 105 HB ILE 12 HB ILE 12 5.296 -5.947 -0.059 106 HG12 ILE 12 2HG1 ILE 12 5.887 -5.601 2.950 107 HG13 ILE 12 1HG1 ILE 12 4.951 -4.516 1.972 108 HG21 ILE 12 1HG2 ILE 12 6.963 -7.917 0.085 109 HG22 ILE 12 2HG2 ILE 12 6.978 -7.718 1.852 110 HG23 ILE 12 3HG2 ILE 12 5.486 -8.179 1.002 111 HD11 ILE 12 1HD1 ILE 12 3.607 -7.028 1.558 112 HD12 ILE 12 2HD1 ILE 12 4.013 -6.940 3.287 113 HD13 ILE 12 3HD1 ILE 12 3.072 -5.642 2.516 114 H LEU 13 H LEU 13 6.521 -4.449 -1.914 115 HA LEU 13 HA LEU 13 7.929 -6.309 -3.685 116 HB2 LEU 13 2HB LEU 13 6.540 -3.590 -4.013 117 HB3 LEU 13 1HB LEU 13 7.431 -4.208 -5.350 118 HG LEU 13 HG LEU 13 4.863 -4.626 -5.191 119 HD11 LEU 13 1HD1 LEU 13 6.046 -5.526 -7.073 120 HD12 LEU 13 2HD1 LEU 13 6.883 -6.760 -6.096 121 HD13 LEU 13 3HD1 LEU 13 5.139 -6.902 -6.424 122 HD21 LEU 13 1HD2 LEU 13 5.691 -7.144 -3.606 123 HD22 LEU 13 2HD2 LEU 13 4.822 -5.764 -2.936 124 HD23 LEU 13 3HD2 LEU 13 4.070 -6.736 -4.211 125 HN1 NH2 14 1HN NH2 14 10.802 -3.473 -3.210 126 HN2 NH2 14 2HN NH2 14 9.140 -3.130 -2.513 Start of MODEL 8 1 H1 PHE 1 1H PHE 1 -11.269 7.333 -0.148 2 H2 PHE 1 2H PHE 1 -10.776 6.410 1.125 3 H3 PHE 1 3H PHE 1 -10.223 7.953 0.968 4 HA PHE 1 HA PHE 1 -9.596 5.714 -0.933 5 HB2 PHE 1 2HB PHE 1 -8.810 8.704 -0.964 6 HB3 PHE 1 1HB PHE 1 -7.853 7.498 -1.750 7 HD1 PHE 1 HD1 PHE 1 -11.524 8.550 -1.665 8 HD2 PHE 1 HD2 PHE 1 -8.231 7.095 -4.038 9 HE1 PHE 1 HE1 PHE 1 -12.946 8.549 -3.648 10 HE2 PHE 1 HE2 PHE 1 -9.660 7.184 -6.035 11 HZ PHE 1 HZ PHE 1 -12.023 7.887 -5.843 12 H VAL 2 H VAL 2 -9.089 4.490 1.037 13 HA VAL 2 HA VAL 2 -6.259 5.149 2.024 14 HB VAL 2 HB VAL 2 -8.353 3.846 3.822 15 HG11 VAL 2 1HG1 VAL 2 -5.681 3.513 4.126 16 HG12 VAL 2 2HG1 VAL 2 -5.753 5.141 4.827 17 HG13 VAL 2 3HG1 VAL 2 -6.719 3.823 5.522 18 HG21 VAL 2 1HG2 VAL 2 -8.279 6.021 5.207 19 HG22 VAL 2 2HG2 VAL 2 -7.466 6.809 3.829 20 HG23 VAL 2 3HG2 VAL 2 -9.115 6.176 3.656 21 HA JKH 3 HA CAP 3 -6.391 0.847 0.129 22 HD2 JKH 3 1HD CAP 3 -6.670 4.345 -1.028 23 HD3 JKH 3 2HD CAP 3 -5.274 4.894 -0.078 24 HB3 JKH 3 2HB CAP 3 -4.551 1.129 -1.878 25 HB2 JKH 3 1HB CAP 3 -6.201 1.695 -2.044 26 HG JKH 3 HG CAP 3 -5.073 3.709 -2.614 27 HG22 JKH 3 1HG2 CAP 3 -3.092 4.443 -1.265 28 HG21 JKH 3 2HG2 CAP 3 -3.184 3.009 -0.415 29 HG23 JKH 3 3HG2 CAP 3 -2.818 2.990 -2.009 30 H TRP 4 H TRP 4 -5.592 1.020 2.490 31 HA TRP 4 HA TRP 4 -2.834 0.842 3.314 32 HB2 TRP 4 1HB TRP 4 -3.602 -0.681 5.146 33 HB3 TRP 4 2HB TRP 4 -4.447 0.831 5.015 34 HD1 TRP 4 HD1 TRP 4 -7.075 0.814 4.526 35 HE1 TRP 4 HE1 TRP 4 -8.981 -1.011 4.298 36 HE3 TRP 4 HE3 TRP 4 -3.983 -3.251 4.412 37 HZ2 TRP 4 HZ2 TRP 4 -8.938 -3.838 4.035 38 HZ3 TRP 4 HZ3 TRP 4 -4.972 -5.494 4.097 39 HH2 TRP 4 HH2 TRP 4 -7.411 -5.788 3.920 40 H PHE 5 H PHE 5 -4.663 -1.697 1.720 41 HA PHE 5 HA PHE 5 -2.667 -3.777 1.536 42 HB2 PHE 5 2HB PHE 5 -3.940 -4.668 -0.278 43 HB3 PHE 5 1HB PHE 5 -5.048 -4.045 0.893 44 HD1 PHE 5 HD1 PHE 5 -6.485 -1.995 0.329 45 HD2 PHE 5 HD2 PHE 5 -3.752 -3.662 -2.547 46 HE1 PHE 5 HE1 PHE 5 -7.505 -0.630 -1.454 47 HE2 PHE 5 HE2 PHE 5 -4.746 -2.251 -4.298 48 HZ PHE 5 HZ PHE 5 -6.603 -0.716 -3.753 49 H SER 6 H SER 6 -3.094 -1.092 -0.764 50 HA SER 6 HA SER 6 -0.554 -1.742 -2.228 51 HB2 SER 6 2HB SER 6 -2.964 -0.426 -2.979 52 HB3 SER 6 1HB SER 6 -1.838 0.907 -2.850 53 HG SER 6 HG SER 6 -1.997 -0.982 -4.731 54 H LYS 7 H LYS 7 -1.532 0.778 0.036 55 HA LYS 7 HA LYS 7 0.953 2.369 0.184 56 HB2 LYS 7 2HB LYS 7 -1.503 1.939 1.936 57 HB3 LYS 7 1HB LYS 7 -0.085 2.375 2.818 58 HG2 LYS 7 2HG LYS 7 0.277 4.407 1.420 59 HG3 LYS 7 1HG LYS 7 -1.151 4.036 0.463 60 HD2 LYS 7 2HD LYS 7 -2.639 4.243 2.440 61 HD3 LYS 7 1HD LYS 7 -1.302 4.359 3.548 62 HE2 LYS 7 2HE LYS 7 -1.538 6.461 1.280 63 HE3 LYS 7 1HE LYS 7 -2.640 6.567 2.644 64 HZ1 LYS 7 1HZ LYS 7 -0.511 7.841 3.050 65 HZ2 LYS 7 2HZ LYS 7 -0.719 6.674 4.185 66 HZ3 LYS 7 3HZ LYS 7 0.362 6.448 2.979 67 H PHE 8 H PHE 8 0.091 -0.696 1.793 68 HA PHE 8 HA PHE 8 2.835 -0.783 3.037 69 HB2 PHE 8 2HB PHE 8 0.807 -1.593 4.334 70 HB3 PHE 8 1HB PHE 8 0.608 -2.879 3.171 71 HD1 PHE 8 HD1 PHE 8 0.868 -4.687 4.745 72 HD2 PHE 8 HD2 PHE 8 4.040 -1.775 4.479 73 HE1 PHE 8 HE1 PHE 8 2.367 -6.160 6.023 74 HE2 PHE 8 HE2 PHE 8 5.510 -3.266 5.703 75 HZ PHE 8 HZ PHE 8 4.696 -5.463 6.487 76 H LEU 9 H LEU 9 1.035 -2.938 0.724 77 HA LEU 9 HA LEU 9 3.199 -4.621 0.004 78 HB2 LEU 9 2HB LEU 9 0.678 -4.735 -0.602 79 HB3 LEU 9 1HB LEU 9 1.020 -3.697 -1.948 80 HG LEU 9 HG LEU 9 2.917 -5.983 -1.912 81 HD11 LEU 9 1HD1 LEU 9 1.506 -7.906 -2.037 82 HD12 LEU 9 2HD1 LEU 9 1.076 -7.068 -0.537 83 HD13 LEU 9 3HD1 LEU 9 0.010 -6.938 -1.958 84 HD21 LEU 9 1HD2 LEU 9 2.384 -4.758 -4.001 85 HD22 LEU 9 2HD2 LEU 9 1.873 -6.447 -4.195 86 HD23 LEU 9 3HD2 LEU 9 0.660 -5.189 -3.877 87 H GLY 10 H GLY 10 2.551 -1.464 -1.548 88 HA2 GLY 10 1HA GLY 10 4.595 -1.245 -3.567 89 HA3 GLY 10 2HA GLY 10 4.112 0.060 -2.507 90 H ARG 11 H ARG 11 5.072 -0.860 -0.081 91 HA ARG 11 HA ARG 11 8.067 -0.435 -0.255 92 HB2 ARG 11 2HB ARG 11 6.088 -0.784 2.084 93 HB3 ARG 11 1HB ARG 11 7.800 -0.777 2.359 94 HG2 ARG 11 2HG ARG 11 6.443 1.580 0.897 95 HG3 ARG 11 1HG ARG 11 6.443 1.432 2.633 96 HD2 ARG 11 2HD ARG 11 9.214 0.969 1.890 97 HD3 ARG 11 1HD ARG 11 8.675 2.211 0.757 98 HE ARG 11 HE ARG 11 7.719 3.086 3.332 99 HH11 ARG 11 1HH1 ARG 11 11.690 3.497 3.182 100 HH12 ARG 11 2HH1 ARG 11 10.849 2.386 1.997 101 HH21 ARG 11 1HH2 ARG 11 10.496 4.550 4.610 102 HH22 ARG 11 2HH2 ARG 11 8.689 4.337 4.656 103 H ILE 12 H ILE 12 5.895 -3.127 0.647 104 HA ILE 12 HA ILE 12 7.988 -5.069 1.386 105 HB ILE 12 HB ILE 12 5.284 -5.808 0.147 106 HG12 ILE 12 2HG1 ILE 12 5.815 -5.281 3.141 107 HG13 ILE 12 1HG1 ILE 12 4.864 -4.279 2.092 108 HG21 ILE 12 1HG2 ILE 12 6.989 -7.417 2.178 109 HG22 ILE 12 2HG2 ILE 12 5.521 -7.968 1.342 110 HG23 ILE 12 3HG2 ILE 12 7.000 -7.718 0.425 111 HD11 ILE 12 1HD1 ILE 12 3.011 -5.431 2.677 112 HD12 ILE 12 2HD1 ILE 12 3.597 -6.846 1.796 113 HD13 ILE 12 3HD1 ILE 12 3.979 -6.659 3.522 114 H LEU 13 H LEU 13 6.501 -4.382 -1.773 115 HA LEU 13 HA LEU 13 7.976 -6.320 -3.400 116 HB2 LEU 13 2HB LEU 13 6.512 -3.672 -3.920 117 HB3 LEU 13 1HB LEU 13 7.447 -4.336 -5.204 118 HG LEU 13 HG LEU 13 4.891 -4.832 -5.054 119 HD11 LEU 13 1HD1 LEU 13 7.066 -6.808 -5.898 120 HD12 LEU 13 2HD1 LEU 13 5.358 -7.272 -6.057 121 HD13 LEU 13 3HD1 LEU 13 5.957 -5.830 -6.890 122 HD21 LEU 13 1HD2 LEU 13 5.774 -7.215 -3.304 123 HD22 LEU 13 2HD2 LEU 13 4.858 -5.818 -2.737 124 HD23 LEU 13 3HD2 LEU 13 4.151 -6.894 -3.954 125 HN1 NH2 14 1HN NH2 14 10.730 -3.323 -3.153 126 HN2 NH2 14 2HN NH2 14 9.014 -2.943 -2.618 Start of MODEL 9 1 H1 PHE 1 1H PHE 1 -11.371 7.545 -0.225 2 H2 PHE 1 2H PHE 1 -10.956 6.696 1.127 3 H3 PHE 1 3H PHE 1 -10.251 8.150 0.828 4 HA PHE 1 HA PHE 1 -9.890 5.680 -0.816 5 HB2 PHE 1 2HB PHE 1 -9.887 7.867 -2.140 6 HB3 PHE 1 1HB PHE 1 -8.576 8.452 -1.146 7 HD1 PHE 1 HD1 PHE 1 -6.319 8.025 -1.911 8 HD2 PHE 1 HD2 PHE 1 -9.495 5.507 -3.368 9 HE1 PHE 1 HE1 PHE 1 -4.768 6.965 -3.502 10 HE2 PHE 1 HE2 PHE 1 -7.923 4.440 -4.924 11 HZ PHE 1 HZ PHE 1 -5.567 5.177 -5.013 12 H VAL 2 H VAL 2 -9.152 4.400 0.914 13 HA VAL 2 HA VAL 2 -6.377 5.163 1.951 14 HB VAL 2 HB VAL 2 -8.423 3.840 3.786 15 HG11 VAL 2 1HG1 VAL 2 -5.589 3.792 3.971 16 HG12 VAL 2 2HG1 VAL 2 -6.006 5.143 5.031 17 HG13 VAL 2 3HG1 VAL 2 -6.723 3.546 5.303 18 HG21 VAL 2 1HG2 VAL 2 -8.389 6.003 5.154 19 HG22 VAL 2 2HG2 VAL 2 -7.555 6.805 3.794 20 HG23 VAL 2 3HG2 VAL 2 -9.200 6.165 3.591 21 HA JKH 3 HA CAP 3 -6.411 0.841 0.099 22 HD2 JKH 3 1HD CAP 3 -6.743 4.328 -1.071 23 HD3 JKH 3 2HD CAP 3 -5.366 4.911 -0.117 24 HB3 JKH 3 2HB CAP 3 -4.565 1.147 -1.901 25 HB2 JKH 3 1HB CAP 3 -6.221 1.690 -2.074 26 HG JKH 3 HG CAP 3 -5.109 3.709 -2.637 27 HG22 JKH 3 1HG2 CAP 3 -3.161 4.495 -1.266 28 HG21 JKH 3 2HG2 CAP 3 -3.231 3.069 -0.413 29 HG23 JKH 3 3HG2 CAP 3 -2.847 3.046 -2.002 30 H TRP 4 H TRP 4 -5.596 1.050 2.469 31 HA TRP 4 HA TRP 4 -2.828 0.907 3.260 32 HB2 TRP 4 1HB TRP 4 -3.573 -0.607 5.126 33 HB3 TRP 4 2HB TRP 4 -4.446 0.889 4.981 34 HD1 TRP 4 HD1 TRP 4 -7.074 0.818 4.500 35 HE1 TRP 4 HE1 TRP 4 -8.949 -1.041 4.297 36 HE3 TRP 4 HE3 TRP 4 -3.915 -3.199 4.422 37 HZ2 TRP 4 HZ2 TRP 4 -8.862 -3.869 4.063 38 HZ3 TRP 4 HZ3 TRP 4 -4.870 -5.460 4.134 39 HH2 TRP 4 HH2 TRP 4 -7.305 -5.795 3.965 40 H PHE 5 H PHE 5 -4.636 -1.671 1.709 41 HA PHE 5 HA PHE 5 -2.620 -3.736 1.560 42 HB2 PHE 5 2HB PHE 5 -3.877 -4.664 -0.249 43 HB3 PHE 5 1HB PHE 5 -4.994 -4.044 0.917 44 HD1 PHE 5 HD1 PHE 5 -6.454 -2.014 0.334 45 HD2 PHE 5 HD2 PHE 5 -3.704 -3.675 -2.528 46 HE1 PHE 5 HE1 PHE 5 -7.486 -0.672 -1.460 47 HE2 PHE 5 HE2 PHE 5 -4.707 -2.286 -4.289 48 HZ PHE 5 HZ PHE 5 -6.581 -0.767 -3.757 49 H SER 6 H SER 6 -3.076 -1.096 -0.791 50 HA SER 6 HA SER 6 -0.537 -1.731 -2.253 51 HB2 SER 6 2HB SER 6 -2.886 -0.531 -3.089 52 HB3 SER 6 1HB SER 6 -1.955 0.917 -2.738 53 HG SER 6 HG SER 6 -1.702 -0.018 -4.892 54 H LYS 7 H LYS 7 -1.523 0.740 0.044 55 HA LYS 7 HA LYS 7 0.949 2.339 0.156 56 HB2 LYS 7 2HB LYS 7 -1.635 2.358 1.495 57 HB3 LYS 7 1HB LYS 7 -0.539 2.061 2.770 58 HG2 LYS 7 2HG LYS 7 0.161 4.319 0.804 59 HG3 LYS 7 1HG LYS 7 -1.240 4.559 1.798 60 HD2 LYS 7 2HD LYS 7 1.326 3.613 3.192 61 HD3 LYS 7 1HD LYS 7 1.327 5.221 2.557 62 HE2 LYS 7 2HE LYS 7 -1.212 4.624 4.141 63 HE3 LYS 7 1HE LYS 7 0.229 4.324 5.084 64 HZ1 LYS 7 1HZ LYS 7 -0.503 6.733 5.208 65 HZ2 LYS 7 2HZ LYS 7 1.014 6.617 4.590 66 HZ3 LYS 7 3HZ LYS 7 -0.247 6.913 3.592 67 H PHE 8 H PHE 8 0.108 -0.692 1.787 68 HA PHE 8 HA PHE 8 2.848 -0.781 3.051 69 HB2 PHE 8 2HB PHE 8 0.815 -1.607 4.333 70 HB3 PHE 8 1HB PHE 8 0.611 -2.872 3.149 71 HD1 PHE 8 HD1 PHE 8 0.832 -4.691 4.720 72 HD2 PHE 8 HD2 PHE 8 4.055 -1.836 4.462 73 HE1 PHE 8 HE1 PHE 8 2.306 -6.196 5.991 74 HE2 PHE 8 HE2 PHE 8 5.501 -3.359 5.681 75 HZ PHE 8 HZ PHE 8 4.646 -5.543 6.457 76 H LEU 9 H LEU 9 1.052 -2.913 0.707 77 HA LEU 9 HA LEU 9 3.202 -4.619 -0.005 78 HB2 LEU 9 2HB LEU 9 0.692 -4.705 -0.622 79 HB3 LEU 9 1HB LEU 9 1.040 -3.646 -1.951 80 HG LEU 9 HG LEU 9 2.908 -5.963 -1.964 81 HD11 LEU 9 1HD1 LEU 9 1.206 -7.144 -0.645 82 HD12 LEU 9 2HD1 LEU 9 -0.049 -6.763 -1.850 83 HD13 LEU 9 3HD1 LEU 9 1.320 -7.823 -2.279 84 HD21 LEU 9 1HD2 LEU 9 2.421 -4.697 -4.029 85 HD22 LEU 9 2HD2 LEU 9 1.845 -6.359 -4.256 86 HD23 LEU 9 3HD2 LEU 9 0.680 -5.061 -3.917 87 H GLY 10 H GLY 10 2.600 -1.448 -1.547 88 HA2 GLY 10 1HA GLY 10 4.655 -1.230 -3.550 89 HA3 GLY 10 2HA GLY 10 4.193 0.067 -2.472 90 H ARG 11 H ARG 11 5.129 -0.901 -0.063 91 HA ARG 11 HA ARG 11 8.134 -0.519 -0.227 92 HB2 ARG 11 2HB ARG 11 6.134 -0.827 2.099 93 HB3 ARG 11 1HB ARG 11 7.846 -0.839 2.377 94 HG2 ARG 11 2HG ARG 11 6.617 1.519 0.809 95 HG3 ARG 11 1HG ARG 11 6.403 1.425 2.525 96 HD2 ARG 11 2HD ARG 11 9.295 0.922 1.991 97 HD3 ARG 11 1HD ARG 11 8.794 2.233 0.971 98 HE ARG 11 HE ARG 11 8.707 3.652 2.894 99 HH11 ARG 11 1HH1 ARG 11 8.223 0.884 5.754 100 HH12 ARG 11 2HH1 ARG 11 8.268 0.404 3.985 101 HH21 ARG 11 1HH2 ARG 11 8.425 2.965 6.214 102 HH22 ARG 11 2HH2 ARG 11 8.643 4.205 4.896 103 H ILE 12 H ILE 12 5.913 -3.175 0.644 104 HA ILE 12 HA ILE 12 7.977 -5.151 1.407 105 HB ILE 12 HB ILE 12 5.281 -5.827 0.136 106 HG12 ILE 12 2HG1 ILE 12 5.755 -5.319 3.136 107 HG13 ILE 12 1HG1 ILE 12 4.821 -4.318 2.069 108 HG21 ILE 12 1HG2 ILE 12 6.375 -7.639 2.311 109 HG22 ILE 12 2HG2 ILE 12 5.571 -8.027 0.780 110 HG23 ILE 12 3HG2 ILE 12 7.299 -7.664 0.807 111 HD11 ILE 12 1HD1 ILE 12 3.918 -6.696 3.495 112 HD12 ILE 12 2HD1 ILE 12 2.955 -5.488 2.613 113 HD13 ILE 12 3HD1 ILE 12 3.586 -6.911 1.763 114 H LEU 13 H LEU 13 6.544 -4.380 -1.760 115 HA LEU 13 HA LEU 13 7.972 -6.358 -3.386 116 HB2 LEU 13 2HB LEU 13 6.558 -3.684 -3.903 117 HB3 LEU 13 1HB LEU 13 7.492 -4.352 -5.183 118 HG LEU 13 HG LEU 13 4.936 -4.792 -5.074 119 HD11 LEU 13 1HD1 LEU 13 5.178 -6.969 -6.295 120 HD12 LEU 13 2HD1 LEU 13 6.397 -5.789 -6.812 121 HD13 LEU 13 3HD1 LEU 13 6.857 -7.118 -5.715 122 HD21 LEU 13 1HD2 LEU 13 4.136 -6.856 -3.995 123 HD22 LEU 13 2HD2 LEU 13 5.748 -7.218 -3.337 124 HD23 LEU 13 3HD2 LEU 13 4.859 -5.812 -2.756 125 HN1 NH2 14 1HN NH2 14 10.719 -3.303 -3.423 126 HN2 NH2 14 2HN NH2 14 8.953 -2.838 -3.162 Start of MODEL 10 1 H1 PHE 1 1H PHE 1 -11.460 7.206 -0.165 2 H2 PHE 1 2H PHE 1 -10.964 6.266 1.096 3 H3 PHE 1 3H PHE 1 -10.475 7.833 1.001 4 HA PHE 1 HA PHE 1 -9.692 5.678 -0.935 5 HB2 PHE 1 2HB PHE 1 -9.141 8.717 -0.893 6 HB3 PHE 1 1HB PHE 1 -7.999 7.634 -1.604 7 HD1 PHE 1 HD1 PHE 1 -11.702 8.442 -1.825 8 HD2 PHE 1 HD2 PHE 1 -8.200 6.977 -3.867 9 HE1 PHE 1 HE1 PHE 1 -12.967 8.307 -3.917 10 HE2 PHE 1 HE2 PHE 1 -9.474 6.908 -5.967 11 HZ PHE 1 HZ PHE 1 -11.860 7.556 -5.996 12 H VAL 2 H VAL 2 -9.162 4.421 1.008 13 HA VAL 2 HA VAL 2 -6.362 5.159 1.997 14 HB VAL 2 HB VAL 2 -8.387 3.834 3.847 15 HG11 VAL 2 1HG1 VAL 2 -5.561 3.798 3.996 16 HG12 VAL 2 2HG1 VAL 2 -5.968 5.152 5.059 17 HG13 VAL 2 3HG1 VAL 2 -6.680 3.554 5.339 18 HG21 VAL 2 1HG2 VAL 2 -7.759 6.820 3.579 19 HG22 VAL 2 2HG2 VAL 2 -9.305 6.004 3.891 20 HG23 VAL 2 3HG2 VAL 2 -8.113 6.152 5.190 21 HA JKH 3 HA CAP 3 -6.402 0.849 0.150 22 HD2 JKH 3 1HD CAP 3 -6.752 4.350 -1.023 23 HD3 JKH 3 2HD CAP 3 -5.352 4.915 -0.090 24 HB3 JKH 3 2HB CAP 3 -4.644 1.150 -1.895 25 HB2 JKH 3 1HB CAP 3 -6.288 1.718 -2.021 26 HG JKH 3 HG CAP 3 -5.164 3.726 -2.626 27 HG22 JKH 3 1HG2 CAP 3 -3.154 4.464 -1.313 28 HG21 JKH 3 2HG2 CAP 3 -3.232 3.028 -0.462 29 HG23 JKH 3 3HG2 CAP 3 -2.895 3.007 -2.055 30 H TRP 4 H TRP 4 -5.593 1.037 2.482 31 HA TRP 4 HA TRP 4 -2.831 0.920 3.299 32 HB2 TRP 4 1HB TRP 4 -3.554 -0.609 5.134 33 HB3 TRP 4 2HB TRP 4 -4.431 0.886 5.001 34 HD1 TRP 4 HD1 TRP 4 -7.061 0.814 4.529 35 HE1 TRP 4 HE1 TRP 4 -8.930 -1.052 4.325 36 HE3 TRP 4 HE3 TRP 4 -3.885 -3.184 4.413 37 HZ2 TRP 4 HZ2 TRP 4 -8.830 -3.880 4.081 38 HZ3 TRP 4 HZ3 TRP 4 -4.828 -5.450 4.125 39 HH2 TRP 4 HH2 TRP 4 -7.263 -5.798 3.969 40 H PHE 5 H PHE 5 -4.609 -1.655 1.700 41 HA PHE 5 HA PHE 5 -2.571 -3.692 1.525 42 HB2 PHE 5 2HB PHE 5 -3.838 -4.626 -0.273 43 HB3 PHE 5 1HB PHE 5 -4.948 -4.016 0.904 44 HD1 PHE 5 HD1 PHE 5 -6.437 -2.007 0.336 45 HD2 PHE 5 HD2 PHE 5 -3.682 -3.622 -2.546 46 HE1 PHE 5 HE1 PHE 5 -7.486 -0.661 -1.444 47 HE2 PHE 5 HE2 PHE 5 -4.694 -2.219 -4.292 48 HZ PHE 5 HZ PHE 5 -6.584 -0.725 -3.744 49 H SER 6 H SER 6 -3.062 -1.069 -0.840 50 HA SER 6 HA SER 6 -0.494 -1.599 -2.300 51 HB2 SER 6 2HB SER 6 -2.140 -0.806 -3.731 52 HB3 SER 6 1HB SER 6 -2.827 0.327 -2.589 53 HG SER 6 HG SER 6 -1.278 0.985 -4.488 54 H LYS 7 H LYS 7 -1.488 0.865 0.039 55 HA LYS 7 HA LYS 7 1.019 2.416 0.231 56 HB2 LYS 7 2HB LYS 7 -1.398 1.888 2.024 57 HB3 LYS 7 1HB LYS 7 -0.003 2.461 2.830 58 HG2 LYS 7 2HG LYS 7 -0.585 4.116 0.382 59 HG3 LYS 7 1HG LYS 7 -1.958 4.017 1.480 60 HD2 LYS 7 2HD LYS 7 -0.388 4.708 3.428 61 HD3 LYS 7 1HD LYS 7 0.910 4.840 2.269 62 HE2 LYS 7 2HE LYS 7 0.250 7.085 2.434 63 HE3 LYS 7 1HE LYS 7 -0.581 6.600 0.965 64 HZ1 LYS 7 1HZ LYS 7 -2.172 7.737 2.499 65 HZ2 LYS 7 2HZ LYS 7 -2.624 6.153 2.444 66 HZ3 LYS 7 3HZ LYS 7 -1.805 6.723 3.735 67 H PHE 8 H PHE 8 0.128 -0.661 1.801 68 HA PHE 8 HA PHE 8 2.867 -0.800 3.046 69 HB2 PHE 8 2HB PHE 8 0.822 -1.603 4.319 70 HB3 PHE 8 1HB PHE 8 0.607 -2.865 3.132 71 HD1 PHE 8 HD1 PHE 8 4.061 -1.860 4.451 72 HD2 PHE 8 HD2 PHE 8 0.814 -4.689 4.701 73 HE1 PHE 8 HE1 PHE 8 5.495 -3.399 5.656 74 HE2 PHE 8 HE2 PHE 8 2.277 -6.211 5.963 75 HZ PHE 8 HZ PHE 8 4.625 -5.580 6.425 76 H LEU 9 H LEU 9 1.059 -2.889 0.681 77 HA LEU 9 HA LEU 9 3.196 -4.618 -0.042 78 HB2 LEU 9 2HB LEU 9 0.685 -4.676 -0.644 79 HB3 LEU 9 1HB LEU 9 1.032 -3.602 -1.961 80 HG LEU 9 HG LEU 9 2.873 -5.935 -2.037 81 HD11 LEU 9 1HD1 LEU 9 -0.072 -6.646 -1.627 82 HD12 LEU 9 2HD1 LEU 9 1.057 -7.707 -2.504 83 HD13 LEU 9 3HD1 LEU 9 1.376 -7.287 -0.812 84 HD21 LEU 9 1HD2 LEU 9 2.358 -4.601 -4.055 85 HD22 LEU 9 2HD2 LEU 9 1.828 -6.271 -4.319 86 HD23 LEU 9 3HD2 LEU 9 0.626 -5.014 -3.951 87 H GLY 10 H GLY 10 2.621 -1.420 -1.538 88 HA2 GLY 10 1HA GLY 10 4.687 -1.203 -3.537 89 HA3 GLY 10 2HA GLY 10 4.223 0.091 -2.456 90 H ARG 11 H ARG 11 5.148 -0.901 -0.040 91 HA ARG 11 HA ARG 11 8.157 -0.546 -0.186 92 HB2 ARG 11 2HB ARG 11 6.157 -0.905 2.134 93 HB3 ARG 11 1HB ARG 11 7.868 -0.944 2.418 94 HG2 ARG 11 2HG ARG 11 6.577 1.474 1.005 95 HG3 ARG 11 1HG ARG 11 6.551 1.283 2.739 96 HD2 ARG 11 2HD ARG 11 9.310 0.817 2.161 97 HD3 ARG 11 1HD ARG 11 8.912 1.963 0.918 98 HE ARG 11 HE ARG 11 9.021 2.429 3.891 99 HH11 ARG 11 1HH1 ARG 11 7.373 5.364 1.733 100 HH12 ARG 11 2HH1 ARG 11 7.671 3.720 0.980 101 HH21 ARG 11 1HH2 ARG 11 7.926 5.636 3.791 102 HH22 ARG 11 2HH2 ARG 11 8.676 4.275 4.741 103 H ILE 12 H ILE 12 5.907 -3.193 0.657 104 HA ILE 12 HA ILE 12 7.945 -5.197 1.387 105 HB ILE 12 HB ILE 12 5.242 -5.834 0.114 106 HG12 ILE 12 2HG1 ILE 12 5.721 -5.359 3.116 107 HG13 ILE 12 1HG1 ILE 12 4.805 -4.335 2.057 108 HG21 ILE 12 1HG2 ILE 12 7.294 -7.670 0.873 109 HG22 ILE 12 2HG2 ILE 12 6.201 -7.716 2.254 110 HG23 ILE 12 3HG2 ILE 12 5.582 -8.042 0.626 111 HD11 ILE 12 1HD1 ILE 12 3.537 -6.910 1.722 112 HD12 ILE 12 2HD1 ILE 12 3.860 -6.710 3.456 113 HD13 ILE 12 3HD1 ILE 12 2.918 -5.485 2.575 114 H LEU 13 H LEU 13 6.511 -4.413 -1.774 115 HA LEU 13 HA LEU 13 7.946 -6.370 -3.421 116 HB2 LEU 13 2HB LEU 13 6.544 -3.682 -3.905 117 HB3 LEU 13 1HB LEU 13 7.484 -4.332 -5.191 118 HG LEU 13 HG LEU 13 4.929 -4.779 -5.096 119 HD11 LEU 13 1HD1 LEU 13 5.563 -7.369 -5.976 120 HD12 LEU 13 2HD1 LEU 13 5.697 -5.890 -6.934 121 HD13 LEU 13 3HD1 LEU 13 7.128 -6.551 -6.114 122 HD21 LEU 13 1HD2 LEU 13 4.830 -5.783 -2.793 123 HD22 LEU 13 2HD2 LEU 13 4.103 -6.822 -4.033 124 HD23 LEU 13 3HD2 LEU 13 5.705 -7.204 -3.360 125 HN1 NH2 14 1HN NH2 14 10.739 -3.387 -3.189 126 HN2 NH2 14 2HN NH2 14 9.003 -2.949 -2.765 Start of MODEL 11 1 H1 PHE 1 1H PHE 1 -11.747 7.745 -0.180 2 H2 PHE 1 2H PHE 1 -11.071 7.557 1.319 3 H3 PHE 1 3H PHE 1 -10.269 8.404 0.155 4 HA PHE 1 HA PHE 1 -10.872 5.483 0.071 5 HB2 PHE 1 2HB PHE 1 -9.366 7.227 -1.991 6 HB3 PHE 1 1HB PHE 1 -9.348 5.489 -1.992 7 HD1 PHE 1 HD1 PHE 1 -11.691 4.213 -2.024 8 HD2 PHE 1 HD2 PHE 1 -11.137 8.308 -3.243 9 HE1 PHE 1 HE1 PHE 1 -13.811 4.141 -3.265 10 HE2 PHE 1 HE2 PHE 1 -13.254 8.210 -4.488 11 HZ PHE 1 HZ PHE 1 -14.600 6.135 -4.495 12 H VAL 2 H VAL 2 -9.509 4.310 1.214 13 HA VAL 2 HA VAL 2 -6.622 5.220 1.620 14 HB VAL 2 HB VAL 2 -7.737 5.817 3.637 15 HG11 VAL 2 1HG1 VAL 2 -8.437 3.384 5.043 16 HG12 VAL 2 2HG1 VAL 2 -9.510 4.699 4.528 17 HG13 VAL 2 3HG1 VAL 2 -9.260 3.291 3.486 18 HG21 VAL 2 1HG2 VAL 2 -6.099 3.341 4.390 19 HG22 VAL 2 2HG2 VAL 2 -5.345 4.760 3.639 20 HG23 VAL 2 3HG2 VAL 2 -6.187 4.924 5.192 21 HA JKH 3 HA CAP 3 -6.514 0.788 0.067 22 HD2 JKH 3 1HD CAP 3 -7.148 4.230 -1.253 23 HD3 JKH 3 2HD CAP 3 -5.732 4.898 -0.417 24 HB3 JKH 3 2HB CAP 3 -4.842 1.094 -2.058 25 HB2 JKH 3 1HB CAP 3 -6.536 1.530 -2.146 26 HG JKH 3 HG CAP 3 -5.587 3.586 -2.896 27 HG22 JKH 3 1HG2 CAP 3 -3.595 4.539 -1.687 28 HG21 JKH 3 2HG2 CAP 3 -3.541 3.157 -0.764 29 HG23 JKH 3 3HG2 CAP 3 -3.255 3.068 -2.370 30 H TRP 4 H TRP 4 -5.627 1.238 2.365 31 HA TRP 4 HA TRP 4 -2.817 1.260 3.039 32 HB2 TRP 4 1HB TRP 4 -3.399 -0.155 5.026 33 HB3 TRP 4 2HB TRP 4 -4.311 1.312 4.843 34 HD1 TRP 4 HD1 TRP 4 -6.957 1.167 4.598 35 HE1 TRP 4 HE1 TRP 4 -8.803 -0.724 4.651 36 HE3 TRP 4 HE3 TRP 4 -3.737 -2.803 4.436 37 HZ2 TRP 4 HZ2 TRP 4 -8.683 -3.557 4.552 38 HZ3 TRP 4 HZ3 TRP 4 -4.673 -5.088 4.338 39 HH2 TRP 4 HH2 TRP 4 -7.105 -5.464 4.406 40 H PHE 5 H PHE 5 -4.612 -1.440 1.715 41 HA PHE 5 HA PHE 5 -2.610 -3.476 1.646 42 HB2 PHE 5 2HB PHE 5 -5.194 -2.968 0.341 43 HB3 PHE 5 1HB PHE 5 -4.116 -3.350 -0.944 44 HD1 PHE 5 HD1 PHE 5 -6.391 -4.823 1.180 45 HD2 PHE 5 HD2 PHE 5 -2.372 -5.465 -0.225 46 HE1 PHE 5 HE1 PHE 5 -6.580 -7.217 1.704 47 HE2 PHE 5 HE2 PHE 5 -2.569 -7.851 0.331 48 HZ PHE 5 HZ PHE 5 -4.669 -8.734 1.296 49 H SER 6 H SER 6 -2.943 -0.879 -0.743 50 HA SER 6 HA SER 6 -0.373 -1.560 -2.179 51 HB2 SER 6 2HB SER 6 -2.579 0.491 -2.585 52 HB3 SER 6 1HB SER 6 -0.967 0.999 -3.066 53 HG SER 6 HG SER 6 -1.713 -0.074 -4.792 54 H LYS 7 H LYS 7 -1.367 0.794 0.286 55 HA LYS 7 HA LYS 7 1.143 2.300 0.425 56 HB2 LYS 7 2HB LYS 7 -1.353 2.428 1.794 57 HB3 LYS 7 1HB LYS 7 -0.320 1.846 3.048 58 HG2 LYS 7 2HG LYS 7 1.111 4.063 1.762 59 HG3 LYS 7 1HG LYS 7 -0.580 4.523 1.806 60 HD2 LYS 7 2HD LYS 7 -0.494 3.855 4.378 61 HD3 LYS 7 1HD LYS 7 1.245 3.781 4.193 62 HE2 LYS 7 2HE LYS 7 -0.573 6.253 3.686 63 HE3 LYS 7 1HE LYS 7 0.415 5.995 5.116 64 HZ1 LYS 7 1HZ LYS 7 1.586 7.460 3.453 65 HZ2 LYS 7 2HZ LYS 7 2.451 6.074 3.675 66 HZ3 LYS 7 3HZ LYS 7 1.545 6.264 2.328 67 H PHE 8 H PHE 8 0.287 -0.753 1.956 68 HA PHE 8 HA PHE 8 3.042 -0.989 3.175 69 HB2 PHE 8 2HB PHE 8 0.980 -1.800 4.437 70 HB3 PHE 8 1HB PHE 8 0.731 -3.007 3.201 71 HD1 PHE 8 HD1 PHE 8 0.933 -4.937 4.623 72 HD2 PHE 8 HD2 PHE 8 4.173 -2.089 4.621 73 HE1 PHE 8 HE1 PHE 8 2.365 -6.524 5.840 74 HE2 PHE 8 HE2 PHE 8 5.582 -3.695 5.780 75 HZ PHE 8 HZ PHE 8 4.696 -5.916 6.402 76 H LEU 9 H LEU 9 1.144 -2.968 0.782 77 HA LEU 9 HA LEU 9 3.235 -4.694 -0.040 78 HB2 LEU 9 2HB LEU 9 0.695 -4.672 -0.630 79 HB3 LEU 9 1HB LEU 9 1.084 -3.602 -1.936 80 HG LEU 9 HG LEU 9 2.888 -5.958 -2.009 81 HD11 LEU 9 1HD1 LEU 9 1.024 -7.028 -0.648 82 HD12 LEU 9 2HD1 LEU 9 -0.048 -6.816 -2.055 83 HD13 LEU 9 3HD1 LEU 9 1.418 -7.825 -2.180 84 HD21 LEU 9 1HD2 LEU 9 2.399 -4.667 -4.049 85 HD22 LEU 9 2HD2 LEU 9 1.765 -6.307 -4.290 86 HD23 LEU 9 3HD2 LEU 9 0.651 -4.976 -3.909 87 H GLY 10 H GLY 10 2.688 -1.454 -1.443 88 HA2 GLY 10 1HA GLY 10 4.702 -1.217 -3.491 89 HA3 GLY 10 2HA GLY 10 4.290 0.054 -2.363 90 H ARG 11 H ARG 11 5.256 -1.016 -0.006 91 HA ARG 11 HA ARG 11 8.263 -0.680 -0.223 92 HB2 ARG 11 2HB ARG 11 6.311 -1.047 2.135 93 HB3 ARG 11 1HB ARG 11 8.029 -1.096 2.374 94 HG2 ARG 11 2HG ARG 11 6.788 1.342 0.938 95 HG3 ARG 11 1HG ARG 11 6.639 1.173 2.656 96 HD2 ARG 11 2HD ARG 11 9.492 0.657 2.069 97 HD3 ARG 11 1HD ARG 11 9.013 1.951 1.017 98 HE ARG 11 HE ARG 11 8.941 3.422 2.909 99 HH11 ARG 11 1HH1 ARG 11 8.529 0.707 5.832 100 HH12 ARG 11 2HH1 ARG 11 8.535 0.192 4.073 101 HH21 ARG 11 1HH2 ARG 11 8.735 2.797 6.249 102 HH22 ARG 11 2HH2 ARG 11 8.922 4.013 4.904 103 H ILE 12 H ILE 12 6.015 -3.330 0.602 104 HA ILE 12 HA ILE 12 8.062 -5.365 1.243 105 HB ILE 12 HB ILE 12 5.316 -5.938 0.032 106 HG12 ILE 12 2HG1 ILE 12 5.893 -5.584 3.033 107 HG13 ILE 12 1HG1 ILE 12 4.963 -4.502 2.044 108 HG21 ILE 12 1HG2 ILE 12 6.271 -7.921 2.062 109 HG22 ILE 12 2HG2 ILE 12 5.691 -8.164 0.406 110 HG23 ILE 12 3HG2 ILE 12 7.397 -7.806 0.712 111 HD11 ILE 12 1HD1 ILE 12 4.006 -6.887 3.390 112 HD12 ILE 12 2HD1 ILE 12 3.065 -5.651 2.521 113 HD13 ILE 12 3HD1 ILE 12 3.672 -7.076 1.658 114 H LEU 13 H LEU 13 6.554 -4.474 -1.855 115 HA LEU 13 HA LEU 13 7.923 -6.397 -3.594 116 HB2 LEU 13 2HB LEU 13 6.533 -3.686 -3.961 117 HB3 LEU 13 1HB LEU 13 7.437 -4.298 -5.289 118 HG LEU 13 HG LEU 13 4.887 -4.729 -5.151 119 HD11 LEU 13 1HD1 LEU 13 5.553 -7.334 -6.081 120 HD12 LEU 13 2HD1 LEU 13 5.512 -5.840 -7.025 121 HD13 LEU 13 3HD1 LEU 13 7.043 -6.411 -6.330 122 HD21 LEU 13 1HD2 LEU 13 4.817 -5.799 -2.877 123 HD22 LEU 13 2HD2 LEU 13 4.065 -6.800 -4.133 124 HD23 LEU 13 3HD2 LEU 13 5.675 -7.208 -3.499 125 HN1 NH2 14 1HN NH2 14 10.742 -3.429 -3.405 126 HN2 NH2 14 2HN NH2 14 9.012 -2.972 -2.969 Start of MODEL 12 1 H1 PHE 1 1H PHE 1 -12.121 7.055 0.455 2 H2 PHE 1 2H PHE 1 -11.323 6.307 1.688 3 H3 PHE 1 3H PHE 1 -10.912 7.841 1.254 4 HA PHE 1 HA PHE 1 -10.547 5.416 -0.472 5 HB2 PHE 1 2HB PHE 1 -10.081 8.407 -1.033 6 HB3 PHE 1 1HB PHE 1 -9.077 7.211 -1.772 7 HD1 PHE 1 HD1 PHE 1 -12.876 7.497 -1.222 8 HD2 PHE 1 HD2 PHE 1 -9.651 6.730 -3.985 9 HE1 PHE 1 HE1 PHE 1 -14.487 7.046 -2.990 10 HE2 PHE 1 HE2 PHE 1 -11.299 6.347 -5.763 11 HZ PHE 1 HZ PHE 1 -13.718 6.487 -5.269 12 H VAL 2 H VAL 2 -9.462 4.297 1.108 13 HA VAL 2 HA VAL 2 -6.617 5.232 1.636 14 HB VAL 2 HB VAL 2 -7.750 5.820 3.647 15 HG11 VAL 2 1HG1 VAL 2 -8.472 3.410 5.053 16 HG12 VAL 2 2HG1 VAL 2 -9.549 4.698 4.486 17 HG13 VAL 2 3HG1 VAL 2 -9.254 3.273 3.478 18 HG21 VAL 2 1HG2 VAL 2 -5.360 4.746 3.655 19 HG22 VAL 2 2HG2 VAL 2 -6.209 4.928 5.203 20 HG23 VAL 2 3HG2 VAL 2 -6.130 3.339 4.412 21 HA JKH 3 HA CAP 3 -6.515 0.820 0.037 22 HD2 JKH 3 1HD CAP 3 -7.164 4.273 -1.252 23 HD3 JKH 3 2HD CAP 3 -5.748 4.937 -0.413 24 HB3 JKH 3 2HB CAP 3 -4.840 1.152 -2.085 25 HB2 JKH 3 1HB CAP 3 -6.539 1.578 -2.170 26 HG JKH 3 HG CAP 3 -5.606 3.647 -2.904 27 HG22 JKH 3 1HG2 CAP 3 -3.613 4.597 -1.696 28 HG21 JKH 3 2HG2 CAP 3 -3.551 3.207 -0.783 29 HG23 JKH 3 3HG2 CAP 3 -3.274 3.132 -2.391 30 H TRP 4 H TRP 4 -5.636 1.258 2.338 31 HA TRP 4 HA TRP 4 -2.826 1.287 3.020 32 HB2 TRP 4 1HB TRP 4 -3.410 -0.153 4.992 33 HB3 TRP 4 2HB TRP 4 -4.326 1.314 4.825 34 HD1 TRP 4 HD1 TRP 4 -6.971 1.163 4.569 35 HE1 TRP 4 HE1 TRP 4 -8.811 -0.733 4.600 36 HE3 TRP 4 HE3 TRP 4 -3.740 -2.797 4.375 37 HZ2 TRP 4 HZ2 TRP 4 -8.684 -3.564 4.477 38 HZ3 TRP 4 HZ3 TRP 4 -4.670 -5.083 4.252 39 HH2 TRP 4 HH2 TRP 4 -7.101 -5.465 4.315 40 H PHE 5 H PHE 5 -4.617 -1.416 1.679 41 HA PHE 5 HA PHE 5 -2.586 -3.424 1.583 42 HB2 PHE 5 2HB PHE 5 -5.160 -2.881 0.194 43 HB3 PHE 5 1HB PHE 5 -4.041 -3.401 -1.003 44 HD1 PHE 5 HD1 PHE 5 -2.364 -5.479 0.164 45 HD2 PHE 5 HD2 PHE 5 -6.545 -4.695 0.825 46 HE1 PHE 5 HE1 PHE 5 -2.704 -7.816 0.834 47 HE2 PHE 5 HE2 PHE 5 -6.876 -7.048 1.453 48 HZ PHE 5 HZ PHE 5 -4.957 -8.610 1.479 49 H SER 6 H SER 6 -2.948 -0.778 -0.738 50 HA SER 6 HA SER 6 -0.434 -1.498 -2.243 51 HB2 SER 6 2HB SER 6 -2.722 -0.085 -3.038 52 HB3 SER 6 1HB SER 6 -1.636 1.246 -2.679 53 HG SER 6 HG SER 6 -0.363 0.619 -4.309 54 H LYS 7 H LYS 7 -1.374 0.865 0.220 55 HA LYS 7 HA LYS 7 1.137 2.381 0.388 56 HB2 LYS 7 2HB LYS 7 -1.379 2.495 1.731 57 HB3 LYS 7 1HB LYS 7 -0.331 1.917 2.996 58 HG2 LYS 7 2HG LYS 7 1.260 3.914 2.436 59 HG3 LYS 7 1HG LYS 7 0.021 4.475 1.310 60 HD2 LYS 7 2HD LYS 7 -1.662 4.623 3.183 61 HD3 LYS 7 1HD LYS 7 -0.472 4.012 4.335 62 HE2 LYS 7 2HE LYS 7 0.990 5.976 4.079 63 HE3 LYS 7 1HE LYS 7 0.106 6.565 2.671 64 HZ1 LYS 7 1HZ LYS 7 -0.620 7.753 4.733 65 HZ2 LYS 7 2HZ LYS 7 -1.888 6.913 4.117 66 HZ3 LYS 7 3HZ LYS 7 -1.099 6.346 5.437 67 H PHE 8 H PHE 8 0.248 -0.689 1.910 68 HA PHE 8 HA PHE 8 2.992 -0.937 3.142 69 HB2 PHE 8 2HB PHE 8 0.925 -1.765 4.374 70 HB3 PHE 8 1HB PHE 8 0.688 -2.961 3.125 71 HD1 PHE 8 HD1 PHE 8 0.860 -4.887 4.564 72 HD2 PHE 8 HD2 PHE 8 4.135 -2.080 4.549 73 HE1 PHE 8 HE1 PHE 8 2.276 -6.490 5.777 74 HE2 PHE 8 HE2 PHE 8 5.526 -3.700 5.707 75 HZ PHE 8 HZ PHE 8 4.616 -5.909 6.334 76 H LEU 9 H LEU 9 1.135 -2.899 0.705 77 HA LEU 9 HA LEU 9 3.246 -4.611 -0.107 78 HB2 LEU 9 2HB LEU 9 0.725 -4.614 -0.717 79 HB3 LEU 9 1HB LEU 9 1.095 -3.502 -1.995 80 HG LEU 9 HG LEU 9 2.931 -5.841 -2.108 81 HD11 LEU 9 1HD1 LEU 9 1.164 -7.048 -0.871 82 HD12 LEU 9 2HD1 LEU 9 -0.040 -6.606 -2.108 83 HD13 LEU 9 3HD1 LEU 9 1.337 -7.663 -2.526 84 HD21 LEU 9 1HD2 LEU 9 1.972 -6.088 -4.431 85 HD22 LEU 9 2HD2 LEU 9 0.740 -4.861 -4.057 86 HD23 LEU 9 3HD2 LEU 9 2.466 -4.419 -4.092 87 H GLY 10 H GLY 10 2.723 -1.349 -1.441 88 HA2 GLY 10 1HA GLY 10 4.775 -1.090 -3.459 89 HA3 GLY 10 2HA GLY 10 4.332 0.171 -2.332 90 H ARG 11 H ARG 11 5.256 -0.946 0.047 91 HA ARG 11 HA ARG 11 8.269 -0.610 -0.113 92 HB2 ARG 11 2HB ARG 11 6.272 -1.028 2.203 93 HB3 ARG 11 1HB ARG 11 7.981 -1.111 2.481 94 HG2 ARG 11 2HG ARG 11 6.722 1.397 1.191 95 HG3 ARG 11 1HG ARG 11 6.733 1.119 2.916 96 HD2 ARG 11 2HD ARG 11 9.459 0.606 2.241 97 HD3 ARG 11 1HD ARG 11 9.025 1.827 1.039 98 HE ARG 11 HE ARG 11 8.017 2.811 3.571 99 HH11 ARG 11 1HH1 ARG 11 12.002 3.106 3.482 100 HH12 ARG 11 2HH1 ARG 11 11.146 2.006 2.297 101 HH21 ARG 11 1HH2 ARG 11 10.817 4.208 4.881 102 HH22 ARG 11 2HH2 ARG 11 9.003 4.047 4.900 103 H ILE 12 H ILE 12 5.997 -3.265 0.602 104 HA ILE 12 HA ILE 12 8.034 -5.319 1.226 105 HB ILE 12 HB ILE 12 5.298 -5.877 -0.014 106 HG12 ILE 12 2HG1 ILE 12 5.842 -5.533 2.995 107 HG13 ILE 12 1HG1 ILE 12 4.917 -4.453 1.999 108 HG21 ILE 12 1HG2 ILE 12 6.243 -7.863 2.025 109 HG22 ILE 12 2HG2 ILE 12 5.651 -8.107 0.374 110 HG23 ILE 12 3HG2 ILE 12 7.359 -7.758 0.669 111 HD11 ILE 12 1HD1 ILE 12 3.961 -6.853 3.325 112 HD12 ILE 12 2HD1 ILE 12 3.022 -5.606 2.471 113 HD13 ILE 12 3HD1 ILE 12 3.631 -7.020 1.590 114 H LEU 13 H LEU 13 6.655 -4.277 -1.878 115 HA LEU 13 HA LEU 13 7.935 -6.330 -3.569 116 HB2 LEU 13 2HB LEU 13 6.498 -3.661 -3.995 117 HB3 LEU 13 1HB LEU 13 7.379 -4.302 -5.321 118 HG LEU 13 HG LEU 13 4.820 -4.813 -5.048 119 HD11 LEU 13 1HD1 LEU 13 5.117 -7.040 -6.291 120 HD12 LEU 13 2HD1 LEU 13 6.068 -5.691 -6.941 121 HD13 LEU 13 3HD1 LEU 13 6.861 -6.939 -5.946 122 HD21 LEU 13 1HD2 LEU 13 4.151 -6.910 -3.973 123 HD22 LEU 13 2HD2 LEU 13 5.814 -7.278 -3.473 124 HD23 LEU 13 3HD2 LEU 13 4.963 -5.912 -2.750 125 HN1 NH2 14 1HN NH2 14 11.294 -5.053 -3.277 126 HN2 NH2 14 2HN NH2 14 10.079 -6.204 -2.526 Start of MODEL 13 1 H1 PHE 1 1H PHE 1 -11.653 7.547 -0.702 2 H2 PHE 1 2H PHE 1 -10.746 8.075 0.584 3 H3 PHE 1 3H PHE 1 -10.015 7.737 -0.844 4 HA PHE 1 HA PHE 1 -11.347 5.738 0.929 5 HB2 PHE 1 2HB PHE 1 -9.873 5.346 -1.781 6 HB3 PHE 1 1HB PHE 1 -10.296 4.036 -0.720 7 HD1 PHE 1 HD1 PHE 1 -11.529 6.003 -3.431 8 HD2 PHE 1 HD2 PHE 1 -12.824 3.782 0.027 9 HE1 PHE 1 HE1 PHE 1 -13.809 5.890 -4.342 10 HE2 PHE 1 HE2 PHE 1 -15.098 3.690 -0.896 11 HZ PHE 1 HZ PHE 1 -15.601 4.747 -3.074 12 H VAL 2 H VAL 2 -9.911 4.178 1.887 13 HA VAL 2 HA VAL 2 -6.991 5.119 2.145 14 HB VAL 2 HB VAL 2 -8.514 3.691 4.365 15 HG11 VAL 2 1HG1 VAL 2 -6.199 5.211 5.331 16 HG12 VAL 2 2HG1 VAL 2 -6.469 3.465 5.340 17 HG13 VAL 2 3HG1 VAL 2 -5.653 4.228 3.969 18 HG21 VAL 2 1HG2 VAL 2 -8.420 5.968 5.612 19 HG22 VAL 2 2HG2 VAL 2 -8.101 6.725 4.028 20 HG23 VAL 2 3HG2 VAL 2 -9.614 5.839 4.315 21 HA JKH 3 HA CAP 3 -6.781 0.714 0.446 22 HD2 JKH 3 1HD CAP 3 -7.769 4.116 -0.773 23 HD3 JKH 3 2HD CAP 3 -6.325 4.864 -0.059 24 HB3 JKH 3 2HB CAP 3 -5.366 1.149 -1.841 25 HB2 JKH 3 1HB CAP 3 -7.089 1.463 -1.756 26 HG JKH 3 HG CAP 3 -6.377 3.586 -2.567 27 HG22 JKH 3 1HG2 CAP 3 -4.337 4.677 -1.558 28 HG21 JKH 3 2HG2 CAP 3 -4.068 3.276 -0.701 29 HG23 JKH 3 3HG2 CAP 3 -3.975 3.257 -2.332 30 H TRP 4 H TRP 4 -5.680 1.219 2.635 31 HA TRP 4 HA TRP 4 -2.800 1.410 2.940 32 HB2 TRP 4 1HB TRP 4 -3.006 -0.028 4.955 33 HB3 TRP 4 2HB TRP 4 -4.047 1.366 4.925 34 HD1 TRP 4 HD1 TRP 4 -6.691 1.010 4.980 35 HE1 TRP 4 HE1 TRP 4 -8.354 -1.030 5.251 36 HE3 TRP 4 HE3 TRP 4 -3.191 -2.675 4.423 37 HZ2 TRP 4 HZ2 TRP 4 -8.004 -3.846 5.146 38 HZ3 TRP 4 HZ3 TRP 4 -3.929 -5.032 4.458 39 HH2 TRP 4 HH2 TRP 4 -6.296 -5.614 4.821 40 H PHE 5 H PHE 5 -4.664 -1.342 1.796 41 HA PHE 5 HA PHE 5 -2.593 -3.238 1.429 42 HB2 PHE 5 2HB PHE 5 -5.306 -3.194 0.779 43 HB3 PHE 5 1HB PHE 5 -4.637 -3.117 -0.815 44 HD1 PHE 5 HD1 PHE 5 -5.426 -5.246 1.961 45 HD2 PHE 5 HD2 PHE 5 -2.764 -4.983 -1.409 46 HE1 PHE 5 HE1 PHE 5 -4.949 -7.650 2.141 47 HE2 PHE 5 HE2 PHE 5 -2.286 -7.389 -1.207 48 HZ PHE 5 HZ PHE 5 -3.376 -8.727 0.566 49 H SER 6 H SER 6 -3.207 -0.466 -0.656 50 HA SER 6 HA SER 6 -0.855 -1.185 -2.494 51 HB2 SER 6 2HB SER 6 -2.854 1.152 -2.674 52 HB3 SER 6 1HB SER 6 -1.594 0.776 -3.849 53 HG SER 6 HG SER 6 -2.681 -1.381 -3.978 54 H LYS 7 H LYS 7 -1.235 0.394 0.421 55 HA LYS 7 HA LYS 7 0.990 2.433 -0.033 56 HB2 LYS 7 2HB LYS 7 -1.390 2.408 1.665 57 HB3 LYS 7 1HB LYS 7 -0.069 2.246 2.755 58 HG2 LYS 7 2HG LYS 7 0.726 4.403 0.986 59 HG3 LYS 7 1HG LYS 7 -1.006 4.537 1.065 60 HD2 LYS 7 2HD LYS 7 -0.589 5.809 2.965 61 HD3 LYS 7 1HD LYS 7 -0.611 4.267 3.758 62 HE2 LYS 7 2HE LYS 7 1.402 5.229 4.594 63 HE3 LYS 7 1HE LYS 7 1.996 4.118 3.361 64 HZ1 LYS 7 1HZ LYS 7 2.998 6.394 3.055 65 HZ2 LYS 7 2HZ LYS 7 2.034 6.069 1.761 66 HZ3 LYS 7 3HZ LYS 7 1.507 7.080 2.930 67 H PHE 8 H PHE 8 0.403 -0.552 1.761 68 HA PHE 8 HA PHE 8 3.232 -0.632 2.836 69 HB2 PHE 8 2HB PHE 8 2.620 -2.295 4.226 70 HB3 PHE 8 1HB PHE 8 1.081 -1.532 4.082 71 HD1 PHE 8 HD1 PHE 8 2.634 -4.655 4.170 72 HD2 PHE 8 HD2 PHE 8 -0.364 -2.625 1.877 73 HE1 PHE 8 HE1 PHE 8 1.786 -6.815 3.340 74 HE2 PHE 8 HE2 PHE 8 -1.166 -4.801 1.029 75 HZ PHE 8 HZ PHE 8 -0.114 -6.874 1.754 76 H LEU 9 H LEU 9 1.395 -2.299 0.295 77 HA LEU 9 HA LEU 9 3.183 -4.289 -0.480 78 HB2 LEU 9 2HB LEU 9 0.803 -3.762 -1.254 79 HB3 LEU 9 1HB LEU 9 1.456 -2.704 -2.464 80 HG LEU 9 HG LEU 9 2.750 -5.396 -2.563 81 HD11 LEU 9 1HD1 LEU 9 0.637 -6.645 -3.360 82 HD12 LEU 9 2HD1 LEU 9 0.833 -6.408 -1.613 83 HD13 LEU 9 3HD1 LEU 9 -0.310 -5.391 -2.521 84 HD21 LEU 9 1HD2 LEU 9 1.004 -3.888 -4.620 85 HD22 LEU 9 2HD2 LEU 9 2.782 -3.828 -4.494 86 HD23 LEU 9 3HD2 LEU 9 1.978 -5.338 -4.953 87 H GLY 10 H GLY 10 3.353 -0.988 -1.793 88 HA2 GLY 10 1HA GLY 10 5.622 -1.050 -3.579 89 HA3 GLY 10 2HA GLY 10 5.287 0.270 -2.483 90 H ARG 11 H ARG 11 5.763 -0.978 -0.045 91 HA ARG 11 HA ARG 11 8.783 -1.176 0.115 92 HB2 ARG 11 2HB ARG 11 6.530 -1.258 2.215 93 HB3 ARG 11 1HB ARG 11 8.168 -1.627 2.651 94 HG2 ARG 11 2HG ARG 11 7.482 1.043 1.269 95 HG3 ARG 11 1HG ARG 11 7.249 0.791 2.982 96 HD2 ARG 11 2HD ARG 11 9.915 -0.140 2.664 97 HD3 ARG 11 1HD ARG 11 9.870 1.075 1.421 98 HE ARG 11 HE ARG 11 9.826 1.489 4.382 99 HH11 ARG 11 1HH1 ARG 11 8.669 4.660 2.237 100 HH12 ARG 11 2HH1 ARG 11 8.801 3.008 1.452 101 HH21 ARG 11 1HH2 ARG 11 9.149 4.811 4.327 102 HH22 ARG 11 2HH2 ARG 11 9.674 3.345 5.271 103 H ILE 12 H ILE 12 6.032 -3.413 0.702 104 HA ILE 12 HA ILE 12 7.612 -5.791 1.403 105 HB ILE 12 HB ILE 12 4.888 -5.612 0.027 106 HG12 ILE 12 2HG1 ILE 12 4.833 -4.500 2.246 107 HG13 ILE 12 1HG1 ILE 12 3.799 -5.888 2.118 108 HG21 ILE 12 1HG2 ILE 12 5.620 -7.898 -0.356 109 HG22 ILE 12 2HG2 ILE 12 6.134 -8.095 1.333 110 HG23 ILE 12 3HG2 ILE 12 4.405 -7.943 0.930 111 HD11 ILE 12 1HD1 ILE 12 6.556 -6.018 3.525 112 HD12 ILE 12 2HD1 ILE 12 5.025 -5.672 4.362 113 HD13 ILE 12 3HD1 ILE 12 5.265 -7.246 3.575 114 H LEU 13 H LEU 13 6.611 -4.648 -1.810 115 HA LEU 13 HA LEU 13 7.843 -6.757 -3.431 116 HB2 LEU 13 2HB LEU 13 7.012 -3.834 -3.879 117 HB3 LEU 13 1HB LEU 13 7.914 -4.619 -5.116 118 HG LEU 13 HG LEU 13 5.311 -4.561 -5.241 119 HD11 LEU 13 1HD1 LEU 13 5.317 -6.893 -6.437 120 HD12 LEU 13 2HD1 LEU 13 6.482 -5.681 -6.997 121 HD13 LEU 13 3HD1 LEU 13 7.022 -7.014 -5.944 122 HD21 LEU 13 1HD2 LEU 13 4.825 -5.661 -3.003 123 HD22 LEU 13 2HD2 LEU 13 4.030 -6.453 -4.372 124 HD23 LEU 13 3HD2 LEU 13 5.468 -7.183 -3.621 125 HN1 NH2 14 1HN NH2 14 11.101 -4.480 -2.581 126 HN2 NH2 14 2HN NH2 14 9.459 -3.844 -2.073 Start of MODEL 14 1 H1 PHE 1 1H PHE 1 -12.548 5.956 0.279 2 H2 PHE 1 2H PHE 1 -11.710 4.761 1.045 3 H3 PHE 1 3H PHE 1 -11.770 6.284 1.682 4 HA PHE 1 HA PHE 1 -10.396 5.590 -0.870 5 HB2 PHE 1 2HB PHE 1 -9.738 7.985 -0.968 6 HB3 PHE 1 1HB PHE 1 -11.441 7.749 -1.137 7 HD1 PHE 1 HD1 PHE 1 -8.769 9.036 1.192 8 HD2 PHE 1 HD2 PHE 1 -13.010 8.596 0.579 9 HE1 PHE 1 HE1 PHE 1 -9.213 10.477 3.135 10 HE2 PHE 1 HE2 PHE 1 -13.431 10.021 2.531 11 HZ PHE 1 HZ PHE 1 -11.540 10.962 3.817 12 H VAL 2 H VAL 2 -9.750 4.242 1.695 13 HA VAL 2 HA VAL 2 -6.875 5.273 2.013 14 HB VAL 2 HB VAL 2 -8.446 3.832 4.201 15 HG11 VAL 2 1HG1 VAL 2 -6.587 4.219 5.637 16 HG12 VAL 2 2HG1 VAL 2 -5.798 3.738 4.132 17 HG13 VAL 2 3HG1 VAL 2 -5.859 5.458 4.597 18 HG21 VAL 2 1HG2 VAL 2 -8.365 6.116 5.461 19 HG22 VAL 2 2HG2 VAL 2 -8.013 6.876 3.885 20 HG23 VAL 2 3HG2 VAL 2 -9.535 6.003 4.141 21 HA JKH 3 HA CAP 3 -6.760 0.858 0.307 22 HD2 JKH 3 1HD CAP 3 -7.651 4.263 -0.916 23 HD3 JKH 3 2HD CAP 3 -6.195 4.997 -0.213 24 HB3 JKH 3 2HB CAP 3 -5.328 1.251 -1.979 25 HB2 JKH 3 1HB CAP 3 -7.040 1.612 -1.896 26 HG JKH 3 HG CAP 3 -6.272 3.713 -2.710 27 HG22 JKH 3 1HG2 CAP 3 -4.201 4.747 -1.729 28 HG21 JKH 3 2HG2 CAP 3 -3.959 3.334 -0.864 29 HG23 JKH 3 3HG2 CAP 3 -3.884 3.318 -2.493 30 H TRP 4 H TRP 4 -5.642 1.352 2.502 31 HA TRP 4 HA TRP 4 -2.760 1.499 2.831 32 HB2 TRP 4 1HB TRP 4 -3.031 0.077 4.864 33 HB3 TRP 4 2HB TRP 4 -4.044 1.489 4.813 34 HD1 TRP 4 HD1 TRP 4 -6.695 1.179 4.857 35 HE1 TRP 4 HE1 TRP 4 -8.397 -0.834 5.113 36 HE3 TRP 4 HE3 TRP 4 -3.256 -2.571 4.343 37 HZ2 TRP 4 HZ2 TRP 4 -8.098 -3.654 5.007 38 HZ3 TRP 4 HZ3 TRP 4 -4.036 -4.914 4.379 39 HH2 TRP 4 HH2 TRP 4 -6.418 -5.452 4.709 40 H PHE 5 H PHE 5 -4.663 -1.230 1.695 41 HA PHE 5 HA PHE 5 -2.615 -3.151 1.355 42 HB2 PHE 5 2HB PHE 5 -5.296 -3.139 0.755 43 HB3 PHE 5 1HB PHE 5 -4.700 -2.942 -0.862 44 HD1 PHE 5 HD1 PHE 5 -2.938 -4.753 -1.727 45 HD2 PHE 5 HD2 PHE 5 -5.205 -5.235 1.897 46 HE1 PHE 5 HE1 PHE 5 -2.413 -7.158 -1.706 47 HE2 PHE 5 HE2 PHE 5 -4.676 -7.634 1.903 48 HZ PHE 5 HZ PHE 5 -3.280 -8.603 0.106 49 H SER 6 H SER 6 -3.145 -0.369 -0.712 50 HA SER 6 HA SER 6 -0.758 -1.086 -2.508 51 HB2 SER 6 2HB SER 6 -3.170 0.755 -2.849 52 HB3 SER 6 1HB SER 6 -1.655 1.310 -3.531 53 HG SER 6 HG SER 6 -2.694 -1.307 -3.970 54 H LYS 7 H LYS 7 -1.179 0.448 0.429 55 HA LYS 7 HA LYS 7 1.092 2.463 -0.015 56 HB2 LYS 7 2HB LYS 7 -0.560 2.073 2.543 57 HB3 LYS 7 1HB LYS 7 0.642 3.306 2.237 58 HG2 LYS 7 2HG LYS 7 -0.990 3.956 0.153 59 HG3 LYS 7 1HG LYS 7 -2.157 3.032 1.071 60 HD2 LYS 7 2HD LYS 7 -1.160 4.694 3.099 61 HD3 LYS 7 1HD LYS 7 -0.849 5.693 1.685 62 HE2 LYS 7 2HE LYS 7 -3.386 5.369 1.049 63 HE3 LYS 7 1HE LYS 7 -3.590 4.528 2.593 64 HZ1 LYS 7 1HZ LYS 7 -4.062 6.970 2.861 65 HZ2 LYS 7 2HZ LYS 7 -2.711 6.601 3.724 66 HZ3 LYS 7 3HZ LYS 7 -2.574 7.364 2.288 67 H PHE 8 H PHE 8 0.407 -0.519 1.761 68 HA PHE 8 HA PHE 8 3.218 -0.661 2.872 69 HB2 PHE 8 2HB PHE 8 2.551 -2.313 4.245 70 HB3 PHE 8 1HB PHE 8 1.030 -1.522 4.079 71 HD1 PHE 8 HD1 PHE 8 -0.396 -2.584 1.838 72 HD2 PHE 8 HD2 PHE 8 2.525 -4.667 4.180 73 HE1 PHE 8 HE1 PHE 8 -1.226 -4.748 0.975 74 HE2 PHE 8 HE2 PHE 8 1.655 -6.811 3.334 75 HZ PHE 8 HZ PHE 8 -0.221 -6.837 1.718 76 H LEU 9 H LEU 9 1.390 -2.268 0.287 77 HA LEU 9 HA LEU 9 3.154 -4.295 -0.459 78 HB2 LEU 9 2HB LEU 9 0.796 -3.737 -1.264 79 HB3 LEU 9 1HB LEU 9 1.475 -2.685 -2.465 80 HG LEU 9 HG LEU 9 2.737 -5.393 -2.550 81 HD11 LEU 9 1HD1 LEU 9 0.618 -6.616 -3.373 82 HD12 LEU 9 2HD1 LEU 9 0.791 -6.378 -1.624 83 HD13 LEU 9 3HD1 LEU 9 -0.323 -5.347 -2.550 84 HD21 LEU 9 1HD2 LEU 9 2.018 -5.324 -4.947 85 HD22 LEU 9 2HD2 LEU 9 1.023 -3.884 -4.634 86 HD23 LEU 9 3HD2 LEU 9 2.797 -3.804 -4.477 87 H GLY 10 H GLY 10 3.400 -0.996 -1.770 88 HA2 GLY 10 1HA GLY 10 5.690 -1.100 -3.531 89 HA3 GLY 10 2HA GLY 10 5.365 0.224 -2.435 90 H ARG 11 H ARG 11 5.781 -0.988 0.001 91 HA ARG 11 HA ARG 11 8.785 -1.251 0.225 92 HB2 ARG 11 2HB ARG 11 6.471 -1.244 2.263 93 HB3 ARG 11 1HB ARG 11 8.079 -1.660 2.755 94 HG2 ARG 11 2HG ARG 11 7.521 1.024 1.330 95 HG3 ARG 11 1HG ARG 11 7.255 0.789 3.039 96 HD2 ARG 11 2HD ARG 11 9.900 -0.287 2.635 97 HD3 ARG 11 1HD ARG 11 9.848 1.060 1.498 98 HE ARG 11 HE ARG 11 8.786 2.196 3.882 99 HH11 ARG 11 1HH1 ARG 11 12.616 1.305 4.597 100 HH12 ARG 11 2HH1 ARG 11 11.747 0.510 3.198 101 HH21 ARG 11 1HH2 ARG 11 11.536 2.704 5.799 102 HH22 ARG 11 2HH2 ARG 11 9.790 3.084 5.453 103 H ILE 12 H ILE 12 5.995 -3.450 0.748 104 HA ILE 12 HA ILE 12 7.541 -5.849 1.480 105 HB ILE 12 HB ILE 12 4.839 -5.635 0.067 106 HG12 ILE 12 2HG1 ILE 12 4.764 -4.529 2.290 107 HG13 ILE 12 1HG1 ILE 12 3.713 -5.901 2.140 108 HG21 ILE 12 1HG2 ILE 12 5.543 -7.930 -0.310 109 HG22 ILE 12 2HG2 ILE 12 6.036 -8.136 1.384 110 HG23 ILE 12 3HG2 ILE 12 4.314 -7.962 0.964 111 HD11 ILE 12 1HD1 ILE 12 4.899 -5.712 4.404 112 HD12 ILE 12 2HD1 ILE 12 5.143 -7.284 3.614 113 HD13 ILE 12 3HD1 ILE 12 6.444 -6.065 3.595 114 H LEU 13 H LEU 13 6.637 -4.659 -1.742 115 HA LEU 13 HA LEU 13 7.797 -6.834 -3.332 116 HB2 LEU 13 2HB LEU 13 7.009 -3.908 -3.828 117 HB3 LEU 13 1HB LEU 13 7.914 -4.711 -5.051 118 HG LEU 13 HG LEU 13 5.315 -4.624 -5.191 119 HD11 LEU 13 1HD1 LEU 13 5.283 -6.891 -6.426 120 HD12 LEU 13 2HD1 LEU 13 6.576 -5.776 -6.904 121 HD13 LEU 13 3HD1 LEU 13 6.942 -7.156 -5.837 122 HD21 LEU 13 1HD2 LEU 13 4.010 -6.495 -4.313 123 HD22 LEU 13 2HD2 LEU 13 5.437 -7.243 -3.560 124 HD23 LEU 13 3HD2 LEU 13 4.817 -5.713 -2.942 125 HN1 NH2 14 1HN NH2 14 11.082 -4.415 -2.862 126 HN2 NH2 14 2HN NH2 14 9.427 -3.615 -2.740 Start of MODEL 15 1 H1 PHE 1 1H PHE 1 -12.178 7.476 0.142 2 H2 PHE 1 2H PHE 1 -11.411 7.404 1.613 3 H3 PHE 1 3H PHE 1 -10.673 8.124 0.334 4 HA PHE 1 HA PHE 1 -11.295 5.227 0.471 5 HB2 PHE 1 2HB PHE 1 -9.914 5.004 -1.590 6 HB3 PHE 1 1HB PHE 1 -11.401 5.843 -1.835 7 HD1 PHE 1 HD1 PHE 1 -7.680 6.240 -1.838 8 HD2 PHE 1 HD2 PHE 1 -11.429 8.270 -2.417 9 HE1 PHE 1 HE1 PHE 1 -6.495 8.175 -2.780 10 HE2 PHE 1 HE2 PHE 1 -10.225 10.203 -3.335 11 HZ PHE 1 HZ PHE 1 -7.760 10.165 -3.512 12 H VAL 2 H VAL 2 -9.855 4.035 1.619 13 HA VAL 2 HA VAL 2 -7.015 5.129 2.023 14 HB VAL 2 HB VAL 2 -8.515 3.692 4.259 15 HG11 VAL 2 1HG1 VAL 2 -5.880 3.610 4.146 16 HG12 VAL 2 2HG1 VAL 2 -5.916 5.351 4.501 17 HG13 VAL 2 3HG1 VAL 2 -6.608 4.187 5.651 18 HG21 VAL 2 1HG2 VAL 2 -8.039 6.739 3.972 19 HG22 VAL 2 2HG2 VAL 2 -9.600 5.906 4.122 20 HG23 VAL 2 3HG2 VAL 2 -8.495 5.943 5.503 21 HA JKH 3 HA CAP 3 -6.745 0.725 0.356 22 HD2 JKH 3 1HD CAP 3 -7.803 4.085 -0.858 23 HD3 JKH 3 2HD CAP 3 -6.372 4.881 -0.168 24 HB3 JKH 3 2HB CAP 3 -5.345 1.174 -1.941 25 HB2 JKH 3 1HB CAP 3 -7.070 1.458 -1.842 26 HG JKH 3 HG CAP 3 -6.405 3.589 -2.668 27 HG22 JKH 3 1HG2 CAP 3 -4.399 4.742 -1.638 28 HG21 JKH 3 2HG2 CAP 3 -4.069 3.335 -0.829 29 HG23 JKH 3 3HG2 CAP 3 -3.998 3.368 -2.472 30 H TRP 4 H TRP 4 -5.655 1.259 2.532 31 HA TRP 4 HA TRP 4 -2.775 1.460 2.858 32 HB2 TRP 4 1HB TRP 4 -3.001 0.049 4.892 33 HB3 TRP 4 2HB TRP 4 -4.040 1.442 4.840 34 HD1 TRP 4 HD1 TRP 4 -6.681 1.088 4.911 35 HE1 TRP 4 HE1 TRP 4 -8.346 -0.949 5.211 36 HE3 TRP 4 HE3 TRP 4 -3.186 -2.611 4.397 37 HZ2 TRP 4 HZ2 TRP 4 -8.000 -3.765 5.142 38 HZ3 TRP 4 HZ3 TRP 4 -3.928 -4.966 4.464 39 HH2 TRP 4 HH2 TRP 4 -6.296 -5.539 4.837 40 H PHE 5 H PHE 5 -4.649 -1.318 1.767 41 HA PHE 5 HA PHE 5 -2.574 -3.208 1.428 42 HB2 PHE 5 2HB PHE 5 -5.259 -3.247 0.834 43 HB3 PHE 5 1HB PHE 5 -4.663 -3.081 -0.786 44 HD1 PHE 5 HD1 PHE 5 -2.752 -4.863 -1.527 45 HD2 PHE 5 HD2 PHE 5 -5.277 -5.352 1.925 46 HE1 PHE 5 HE1 PHE 5 -2.198 -7.257 -1.448 47 HE2 PHE 5 HE2 PHE 5 -4.733 -7.748 1.972 48 HZ PHE 5 HZ PHE 5 -3.188 -8.705 0.295 49 H SER 6 H SER 6 -3.180 -0.472 -0.679 50 HA SER 6 HA SER 6 -0.855 -1.240 -2.528 51 HB2 SER 6 2HB SER 6 -1.643 0.310 -4.107 52 HB3 SER 6 1HB SER 6 -3.111 -0.409 -3.487 53 HG SER 6 HG SER 6 -2.936 1.447 -1.872 54 H LYS 7 H LYS 7 -1.203 0.403 0.356 55 HA LYS 7 HA LYS 7 1.035 2.416 -0.127 56 HB2 LYS 7 2HB LYS 7 -1.343 2.457 1.545 57 HB3 LYS 7 1HB LYS 7 -0.056 2.227 2.661 58 HG2 LYS 7 2HG LYS 7 0.859 4.390 0.930 59 HG3 LYS 7 1HG LYS 7 -0.882 4.571 1.014 60 HD2 LYS 7 2HD LYS 7 -0.516 4.256 3.670 61 HD3 LYS 7 1HD LYS 7 1.165 4.600 3.317 62 HE2 LYS 7 2HE LYS 7 0.779 6.870 2.699 63 HE3 LYS 7 1HE LYS 7 -0.858 6.578 2.129 64 HZ1 LYS 7 1HZ LYS 7 -0.958 7.714 4.317 65 HZ2 LYS 7 2HZ LYS 7 -1.569 6.200 4.490 66 HZ3 LYS 7 3HZ LYS 7 -0.066 6.532 5.042 67 H PHE 8 H PHE 8 0.421 -0.529 1.736 68 HA PHE 8 HA PHE 8 3.246 -0.609 2.816 69 HB2 PHE 8 2HB PHE 8 2.623 -2.245 4.231 70 HB3 PHE 8 1HB PHE 8 1.087 -1.480 4.069 71 HD1 PHE 8 HD1 PHE 8 -0.353 -2.602 1.879 72 HD2 PHE 8 HD2 PHE 8 2.634 -4.604 4.208 73 HE1 PHE 8 HE1 PHE 8 -1.156 -4.790 1.056 74 HE2 PHE 8 HE2 PHE 8 1.786 -6.774 3.406 75 HZ PHE 8 HZ PHE 8 -0.108 -6.854 1.813 76 H LEU 9 H LEU 9 1.409 -2.295 0.290 77 HA LEU 9 HA LEU 9 3.195 -4.305 -0.451 78 HB2 LEU 9 2HB LEU 9 0.816 -3.792 -1.238 79 HB3 LEU 9 1HB LEU 9 1.470 -2.750 -2.462 80 HG LEU 9 HG LEU 9 2.775 -5.440 -2.506 81 HD11 LEU 9 1HD1 LEU 9 0.765 -6.784 -3.206 82 HD12 LEU 9 2HD1 LEU 9 0.762 -6.326 -1.492 83 HD13 LEU 9 3HD1 LEU 9 -0.290 -5.462 -2.638 84 HD21 LEU 9 1HD2 LEU 9 2.783 -3.877 -4.468 85 HD22 LEU 9 2HD2 LEU 9 2.042 -5.428 -4.900 86 HD23 LEU 9 3HD2 LEU 9 1.010 -4.011 -4.606 87 H GLY 10 H GLY 10 3.369 -1.021 -1.813 88 HA2 GLY 10 1HA GLY 10 5.642 -1.113 -3.591 89 HA3 GLY 10 2HA GLY 10 5.307 0.224 -2.515 90 H ARG 11 H ARG 11 5.779 -0.976 -0.057 91 HA ARG 11 HA ARG 11 8.797 -1.180 0.111 92 HB2 ARG 11 2HB ARG 11 6.537 -1.220 2.205 93 HB3 ARG 11 1HB ARG 11 8.171 -1.590 2.654 94 HG2 ARG 11 2HG ARG 11 7.502 1.062 1.228 95 HG3 ARG 11 1HG ARG 11 7.266 0.838 2.943 96 HD2 ARG 11 2HD ARG 11 9.923 -0.111 2.660 97 HD3 ARG 11 1HD ARG 11 9.894 1.068 1.381 98 HE ARG 11 HE ARG 11 9.807 1.564 4.337 99 HH11 ARG 11 1HH1 ARG 11 8.791 4.696 2.068 100 HH12 ARG 11 2HH1 ARG 11 8.898 3.019 1.335 101 HH21 ARG 11 1HH2 ARG 11 9.224 4.899 4.162 102 HH22 ARG 11 2HH2 ARG 11 9.684 3.449 5.164 103 H ILE 12 H ILE 12 6.045 -3.407 0.727 104 HA ILE 12 HA ILE 12 7.624 -5.774 1.469 105 HB ILE 12 HB ILE 12 4.903 -5.616 0.085 106 HG12 ILE 12 2HG1 ILE 12 4.844 -4.471 2.288 107 HG13 ILE 12 1HG1 ILE 12 3.808 -5.859 2.176 108 HG21 ILE 12 1HG2 ILE 12 6.142 -8.079 1.435 109 HG22 ILE 12 2HG2 ILE 12 4.416 -7.933 1.019 110 HG23 ILE 12 3HG2 ILE 12 5.639 -7.909 -0.261 111 HD11 ILE 12 1HD1 ILE 12 5.266 -7.197 3.659 112 HD12 ILE 12 2HD1 ILE 12 6.561 -5.973 3.593 113 HD13 ILE 12 3HD1 ILE 12 5.029 -5.609 4.420 114 H LEU 13 H LEU 13 6.632 -4.679 -1.763 115 HA LEU 13 HA LEU 13 7.863 -6.818 -3.345 116 HB2 LEU 13 2HB LEU 13 7.030 -3.904 -3.847 117 HB3 LEU 13 1HB LEU 13 7.934 -4.709 -5.069 118 HG LEU 13 HG LEU 13 5.330 -4.658 -5.195 119 HD11 LEU 13 1HD1 LEU 13 6.484 -5.801 -6.938 120 HD12 LEU 13 2HD1 LEU 13 7.061 -7.104 -5.867 121 HD13 LEU 13 3HD1 LEU 13 5.348 -7.024 -6.343 122 HD21 LEU 13 1HD2 LEU 13 4.848 -5.721 -2.939 123 HD22 LEU 13 2HD2 LEU 13 4.055 -6.540 -4.294 124 HD23 LEU 13 3HD2 LEU 13 5.496 -7.251 -3.529 125 HN1 NH2 14 1HN NH2 14 11.114 -4.500 -2.558 126 HN2 NH2 14 2HN NH2 14 9.466 -3.837 -2.105 Start of MODEL 16 1 H1 PHE 1 1H PHE 1 -12.254 7.211 0.272 2 H2 PHE 1 2H PHE 1 -11.556 6.825 1.720 3 H3 PHE 1 3H PHE 1 -10.892 7.999 0.781 4 HA PHE 1 HA PHE 1 -11.026 5.097 0.082 5 HB2 PHE 1 2HB PHE 1 -10.259 7.568 -1.565 6 HB3 PHE 1 1HB PHE 1 -9.209 6.213 -1.722 7 HD1 PHE 1 HD1 PHE 1 -12.649 7.370 -2.413 8 HD2 PHE 1 HD2 PHE 1 -9.952 4.018 -2.637 9 HE1 PHE 1 HE1 PHE 1 -14.188 6.216 -3.945 10 HE2 PHE 1 HE2 PHE 1 -11.500 2.889 -4.177 11 HZ PHE 1 HZ PHE 1 -13.619 3.980 -4.831 12 H VAL 2 H VAL 2 -9.850 4.171 1.670 13 HA VAL 2 HA VAL 2 -6.962 5.170 2.019 14 HB VAL 2 HB VAL 2 -8.509 3.741 4.231 15 HG11 VAL 2 1HG1 VAL 2 -5.891 5.369 4.483 16 HG12 VAL 2 2HG1 VAL 2 -6.615 4.241 5.650 17 HG13 VAL 2 3HG1 VAL 2 -5.889 3.620 4.162 18 HG21 VAL 2 1HG2 VAL 2 -9.593 5.937 4.130 19 HG22 VAL 2 2HG2 VAL 2 -8.457 6.003 5.484 20 HG23 VAL 2 3HG2 VAL 2 -8.044 6.785 3.935 21 HA JKH 3 HA CAP 3 -6.781 0.747 0.367 22 HD2 JKH 3 1HD CAP 3 -7.777 4.132 -0.892 23 HD3 JKH 3 2HD CAP 3 -6.322 4.889 -0.209 24 HB3 JKH 3 2HB CAP 3 -5.372 1.143 -1.931 25 HB2 JKH 3 1HB CAP 3 -7.096 1.451 -1.844 26 HG JKH 3 HG CAP 3 -6.401 3.565 -2.697 27 HG22 JKH 3 1HG2 CAP 3 -4.362 4.655 -1.746 28 HG21 JKH 3 2HG2 CAP 3 -4.096 3.267 -0.838 29 HG23 JKH 3 3HG2 CAP 3 -4.006 3.203 -2.470 30 H TRP 4 H TRP 4 -5.686 1.266 2.541 31 HA TRP 4 HA TRP 4 -2.811 1.463 2.851 32 HB2 TRP 4 1HB TRP 4 -3.023 0.051 4.892 33 HB3 TRP 4 2HB TRP 4 -4.057 1.449 4.841 34 HD1 TRP 4 HD1 TRP 4 -6.701 1.106 4.896 35 HE1 TRP 4 HE1 TRP 4 -8.378 -0.924 5.174 36 HE3 TRP 4 HE3 TRP 4 -3.220 -2.605 4.393 37 HZ2 TRP 4 HZ2 TRP 4 -8.043 -3.742 5.093 38 HZ3 TRP 4 HZ3 TRP 4 -3.971 -4.957 4.441 39 HH2 TRP 4 HH2 TRP 4 -6.344 -5.522 4.793 40 H PHE 5 H PHE 5 -4.670 -1.301 1.738 41 HA PHE 5 HA PHE 5 -2.595 -3.201 1.414 42 HB2 PHE 5 2HB PHE 5 -5.276 -3.228 0.806 43 HB3 PHE 5 1HB PHE 5 -4.675 -3.041 -0.810 44 HD1 PHE 5 HD1 PHE 5 -2.833 -4.828 -1.613 45 HD2 PHE 5 HD2 PHE 5 -5.229 -5.327 1.926 46 HE1 PHE 5 HE1 PHE 5 -2.281 -7.226 -1.565 47 HE2 PHE 5 HE2 PHE 5 -4.682 -7.723 1.950 48 HZ PHE 5 HZ PHE 5 -3.205 -8.678 0.212 49 H SER 6 H SER 6 -3.176 -0.439 -0.672 50 HA SER 6 HA SER 6 -0.822 -1.170 -2.491 51 HB2 SER 6 2HB SER 6 -3.337 0.225 -3.022 52 HB3 SER 6 1HB SER 6 -2.070 1.419 -3.178 53 HG SER 6 HG SER 6 -1.041 0.086 -4.677 54 H LYS 7 H LYS 7 -1.173 0.363 0.420 55 HA LYS 7 HA LYS 7 1.024 2.463 -0.007 56 HB2 LYS 7 2HB LYS 7 -0.734 1.887 2.449 57 HB3 LYS 7 1HB LYS 7 0.444 3.147 2.378 58 HG2 LYS 7 2HG LYS 7 -1.614 3.235 0.143 59 HG3 LYS 7 1HG LYS 7 -2.283 3.445 1.741 60 HD2 LYS 7 2HD LYS 7 -1.029 5.426 2.206 61 HD3 LYS 7 1HD LYS 7 0.182 5.097 0.998 62 HE2 LYS 7 2HE LYS 7 -2.458 5.331 -0.367 63 HE3 LYS 7 1HE LYS 7 -2.328 6.660 0.764 64 HZ1 LYS 7 1HZ LYS 7 -1.259 7.204 -1.455 65 HZ2 LYS 7 2HZ LYS 7 -0.134 7.243 -0.260 66 HZ3 LYS 7 3HZ LYS 7 -0.193 5.961 -1.268 67 H PHE 8 H PHE 8 0.420 -0.538 1.777 68 HA PHE 8 HA PHE 8 3.241 -0.636 2.865 69 HB2 PHE 8 2HB PHE 8 2.598 -2.285 4.257 70 HB3 PHE 8 1HB PHE 8 1.067 -1.512 4.095 71 HD1 PHE 8 HD1 PHE 8 -0.368 -2.603 1.878 72 HD2 PHE 8 HD2 PHE 8 2.594 -4.639 4.210 73 HE1 PHE 8 HE1 PHE 8 -1.181 -4.782 1.037 74 HE2 PHE 8 HE2 PHE 8 1.739 -6.798 3.387 75 HZ PHE 8 HZ PHE 8 -0.149 -6.856 1.786 76 H LEU 9 H LEU 9 1.403 -2.291 0.310 77 HA LEU 9 HA LEU 9 3.184 -4.300 -0.434 78 HB2 LEU 9 2HB LEU 9 0.814 -3.769 -1.233 79 HB3 LEU 9 1HB LEU 9 1.480 -2.729 -2.450 80 HG LEU 9 HG LEU 9 2.753 -5.441 -2.493 81 HD11 LEU 9 1HD1 LEU 9 0.723 -6.740 -3.224 82 HD12 LEU 9 2HD1 LEU 9 0.726 -6.301 -1.506 83 HD13 LEU 9 3HD1 LEU 9 -0.309 -5.406 -2.644 84 HD21 LEU 9 1HD2 LEU 9 1.109 -3.853 -4.578 85 HD22 LEU 9 2HD2 LEU 9 2.883 -3.982 -4.468 86 HD23 LEU 9 3HD2 LEU 9 1.918 -5.401 -4.909 87 H GLY 10 H GLY 10 3.387 -1.014 -1.776 88 HA2 GLY 10 1HA GLY 10 5.665 -1.111 -3.555 89 HA3 GLY 10 2HA GLY 10 5.334 0.221 -2.472 90 H ARG 11 H ARG 11 5.777 -0.968 -0.026 91 HA ARG 11 HA ARG 11 8.786 -1.192 0.181 92 HB2 ARG 11 2HB ARG 11 6.484 -1.193 2.233 93 HB3 ARG 11 1HB ARG 11 8.099 -1.587 2.719 94 HG2 ARG 11 2HG ARG 11 7.500 1.080 1.279 95 HG3 ARG 11 1HG ARG 11 7.253 0.852 2.993 96 HD2 ARG 11 2HD ARG 11 9.900 -0.193 2.598 97 HD3 ARG 11 1HD ARG 11 9.835 1.119 1.420 98 HE ARG 11 HE ARG 11 8.772 2.314 3.779 99 HH11 ARG 11 1HH1 ARG 11 12.615 1.481 4.492 100 HH12 ARG 11 2HH1 ARG 11 11.746 0.642 3.119 101 HH21 ARG 11 1HH2 ARG 11 11.528 2.899 5.665 102 HH22 ARG 11 2HH2 ARG 11 9.776 3.252 5.320 103 H ILE 12 H ILE 12 6.024 -3.417 0.745 104 HA ILE 12 HA ILE 12 7.601 -5.791 1.489 105 HB ILE 12 HB ILE 12 4.888 -5.621 0.091 106 HG12 ILE 12 2HG1 ILE 12 4.816 -4.494 2.303 107 HG13 ILE 12 1HG1 ILE 12 3.779 -5.878 2.173 108 HG21 ILE 12 1HG2 ILE 12 6.120 -8.096 1.424 109 HG22 ILE 12 2HG2 ILE 12 4.394 -7.944 1.013 110 HG23 ILE 12 3HG2 ILE 12 5.614 -7.911 -0.269 111 HD11 ILE 12 1HD1 ILE 12 4.979 -5.652 4.428 112 HD12 ILE 12 2HD1 ILE 12 5.227 -7.231 3.653 113 HD13 ILE 12 3HD1 ILE 12 6.520 -6.004 3.610 114 H LEU 13 H LEU 13 6.660 -4.645 -1.738 115 HA LEU 13 HA LEU 13 7.835 -6.819 -3.318 116 HB2 LEU 13 2HB LEU 13 6.999 -3.909 -3.828 117 HB3 LEU 13 1HB LEU 13 7.915 -4.699 -5.051 118 HG LEU 13 HG LEU 13 5.322 -4.666 -5.187 119 HD11 LEU 13 1HD1 LEU 13 5.481 -7.232 -6.177 120 HD12 LEU 13 2HD1 LEU 13 6.183 -5.822 -6.983 121 HD13 LEU 13 3HD1 LEU 13 7.212 -6.889 -6.000 122 HD21 LEU 13 1HD2 LEU 13 4.841 -5.710 -2.925 123 HD22 LEU 13 2HD2 LEU 13 4.035 -6.520 -4.279 124 HD23 LEU 13 3HD2 LEU 13 5.466 -7.250 -3.515 125 HN1 NH2 14 1HN NH2 14 11.094 -4.363 -2.875 126 HN2 NH2 14 2HN NH2 14 9.431 -3.582 -2.737 Start of MODEL 17 1 H1 PHE 1 1H PHE 1 -12.225 7.271 0.527 2 H2 PHE 1 2H PHE 1 -11.471 6.800 1.920 3 H3 PHE 1 3H PHE 1 -10.852 8.040 1.032 4 HA PHE 1 HA PHE 1 -10.996 5.193 0.116 5 HB2 PHE 1 2HB PHE 1 -9.918 7.724 -1.302 6 HB3 PHE 1 1HB PHE 1 -9.397 6.129 -1.730 7 HD1 PHE 1 HD1 PHE 1 -12.539 8.199 -1.440 8 HD2 PHE 1 HD2 PHE 1 -10.679 4.746 -3.224 9 HE1 PHE 1 HE1 PHE 1 -14.538 7.816 -2.803 10 HE2 PHE 1 HE2 PHE 1 -12.669 4.419 -4.629 11 HZ PHE 1 HZ PHE 1 -14.610 5.937 -4.409 12 H VAL 2 H VAL 2 -9.739 4.162 1.585 13 HA VAL 2 HA VAL 2 -6.876 5.197 1.970 14 HB VAL 2 HB VAL 2 -8.427 3.816 4.210 15 HG11 VAL 2 1HG1 VAL 2 -6.518 4.166 5.589 16 HG12 VAL 2 2HG1 VAL 2 -5.750 3.741 4.053 17 HG13 VAL 2 3HG1 VAL 2 -5.829 5.439 4.560 18 HG21 VAL 2 1HG2 VAL 2 -8.429 6.026 5.454 19 HG22 VAL 2 2HG2 VAL 2 -7.837 6.849 3.985 20 HG23 VAL 2 3HG2 VAL 2 -9.440 6.087 4.006 21 HA JKH 3 HA CAP 3 -6.763 0.751 0.373 22 HD2 JKH 3 1HD CAP 3 -7.717 4.132 -0.914 23 HD3 JKH 3 2HD CAP 3 -6.256 4.885 -0.241 24 HB3 JKH 3 2HB CAP 3 -5.359 1.108 -1.935 25 HB2 JKH 3 1HB CAP 3 -7.077 1.450 -1.841 26 HG JKH 3 HG CAP 3 -6.335 3.542 -2.712 27 HG22 JKH 3 1HG2 CAP 3 -4.267 4.619 -1.750 28 HG21 JKH 3 2HG2 CAP 3 -4.021 3.243 -0.849 29 HG23 JKH 3 3HG2 CAP 3 -3.935 3.169 -2.477 30 H TRP 4 H TRP 4 -5.634 1.288 2.541 31 HA TRP 4 HA TRP 4 -2.748 1.442 2.824 32 HB2 TRP 4 1HB TRP 4 -2.982 0.039 4.881 33 HB3 TRP 4 2HB TRP 4 -3.980 1.461 4.825 34 HD1 TRP 4 HD1 TRP 4 -6.630 1.190 4.909 35 HE1 TRP 4 HE1 TRP 4 -8.357 -0.791 5.234 36 HE3 TRP 4 HE3 TRP 4 -3.252 -2.619 4.438 37 HZ2 TRP 4 HZ2 TRP 4 -8.099 -3.617 5.186 38 HZ3 TRP 4 HZ3 TRP 4 -4.060 -4.951 4.581 39 HH2 TRP 4 HH2 TRP 4 -6.447 -5.446 4.923 40 H PHE 5 H PHE 5 -4.659 -1.315 1.765 41 HA PHE 5 HA PHE 5 -2.569 -3.223 1.449 42 HB2 PHE 5 2HB PHE 5 -5.247 -3.374 1.055 43 HB3 PHE 5 1HB PHE 5 -4.831 -3.073 -0.608 44 HD1 PHE 5 HD1 PHE 5 -4.397 -5.089 -1.919 45 HD2 PHE 5 HD2 PHE 5 -3.712 -5.200 2.321 46 HE1 PHE 5 HE1 PHE 5 -3.863 -7.493 -2.053 47 HE2 PHE 5 HE2 PHE 5 -3.158 -7.584 2.174 48 HZ PHE 5 HZ PHE 5 -3.234 -8.741 -0.011 49 H SER 6 H SER 6 -3.188 -0.514 -0.664 50 HA SER 6 HA SER 6 -0.884 -1.343 -2.513 51 HB2 SER 6 2HB SER 6 -3.315 -0.347 -3.316 52 HB3 SER 6 1HB SER 6 -2.512 1.184 -2.993 53 HG SER 6 HG SER 6 -1.648 -0.934 -4.693 54 H LYS 7 H LYS 7 -1.255 0.324 0.329 55 HA LYS 7 HA LYS 7 0.946 2.370 -0.187 56 HB2 LYS 7 2HB LYS 7 -1.499 2.565 1.236 57 HB3 LYS 7 1HB LYS 7 -0.419 2.215 2.535 58 HG2 LYS 7 2HG LYS 7 0.418 4.395 0.540 59 HG3 LYS 7 1HG LYS 7 -1.014 4.723 1.463 60 HD2 LYS 7 2HD LYS 7 0.053 4.945 3.508 61 HD3 LYS 7 1HD LYS 7 1.273 3.724 3.165 62 HE2 LYS 7 2HE LYS 7 2.336 5.408 1.454 63 HE3 LYS 7 1HE LYS 7 1.229 6.637 2.080 64 HZ1 LYS 7 1HZ LYS 7 3.408 6.621 3.326 65 HZ2 LYS 7 2HZ LYS 7 2.191 6.216 4.362 66 HZ3 LYS 7 3HZ LYS 7 3.180 5.054 3.765 67 H PHE 8 H PHE 8 0.371 -0.533 1.723 68 HA PHE 8 HA PHE 8 3.201 -0.565 2.803 69 HB2 PHE 8 2HB PHE 8 2.594 -2.205 4.224 70 HB3 PHE 8 1HB PHE 8 1.046 -1.466 4.055 71 HD1 PHE 8 HD1 PHE 8 -0.341 -2.622 1.822 72 HD2 PHE 8 HD2 PHE 8 2.614 -4.564 4.245 73 HE1 PHE 8 HE1 PHE 8 -1.101 -4.821 1.007 74 HE2 PHE 8 HE2 PHE 8 1.801 -6.751 3.457 75 HZ PHE 8 HZ PHE 8 -0.057 -6.869 1.825 76 H LEU 9 H LEU 9 1.384 -2.286 0.282 77 HA LEU 9 HA LEU 9 3.178 -4.290 -0.422 78 HB2 LEU 9 2HB LEU 9 0.793 -3.766 -1.266 79 HB3 LEU 9 1HB LEU 9 1.495 -2.783 -2.507 80 HG LEU 9 HG LEU 9 2.777 -5.480 -2.411 81 HD11 LEU 9 1HD1 LEU 9 1.006 -6.980 -2.812 82 HD12 LEU 9 2HD1 LEU 9 0.481 -6.058 -1.394 83 HD13 LEU 9 3HD1 LEU 9 -0.215 -5.693 -2.991 84 HD21 LEU 9 1HD2 LEU 9 2.914 -4.107 -4.452 85 HD22 LEU 9 2HD2 LEU 9 1.968 -5.556 -4.845 86 HD23 LEU 9 3HD2 LEU 9 1.142 -4.005 -4.585 87 H GLY 10 H GLY 10 3.346 -1.040 -1.849 88 HA2 GLY 10 1HA GLY 10 5.622 -1.141 -3.619 89 HA3 GLY 10 2HA GLY 10 5.278 0.207 -2.558 90 H ARG 11 H ARG 11 5.750 -0.956 -0.092 91 HA ARG 11 HA ARG 11 8.769 -1.131 0.080 92 HB2 ARG 11 2HB ARG 11 6.503 -1.113 2.168 93 HB3 ARG 11 1HB ARG 11 8.139 -1.462 2.625 94 HG2 ARG 11 2HG ARG 11 7.539 1.128 1.051 95 HG3 ARG 11 1HG ARG 11 7.162 1.025 2.741 96 HD2 ARG 11 2HD ARG 11 9.937 0.001 2.446 97 HD3 ARG 11 1HD ARG 11 9.797 1.386 1.411 98 HE ARG 11 HE ARG 11 9.725 2.811 3.340 99 HH11 ARG 11 1HH1 ARG 11 8.708 0.096 6.110 100 HH12 ARG 11 2HH1 ARG 11 8.801 -0.369 4.339 101 HH21 ARG 11 1HH2 ARG 11 9.147 2.128 6.622 102 HH22 ARG 11 2HH2 ARG 11 9.608 3.344 5.346 103 H ILE 12 H ILE 12 6.037 -3.373 0.722 104 HA ILE 12 HA ILE 12 7.640 -5.711 1.523 105 HB ILE 12 HB ILE 12 4.921 -5.597 0.129 106 HG12 ILE 12 2HG1 ILE 12 4.858 -4.434 2.324 107 HG13 ILE 12 1HG1 ILE 12 3.826 -5.824 2.218 108 HG21 ILE 12 1HG2 ILE 12 5.669 -7.885 -0.201 109 HG22 ILE 12 2HG2 ILE 12 6.195 -8.038 1.489 110 HG23 ILE 12 3HG2 ILE 12 4.463 -7.915 1.095 111 HD11 ILE 12 1HD1 ILE 12 5.260 -7.147 3.720 112 HD12 ILE 12 2HD1 ILE 12 6.578 -5.951 3.633 113 HD13 ILE 12 3HD1 ILE 12 5.057 -5.547 4.464 114 H LEU 13 H LEU 13 6.644 -4.681 -1.728 115 HA LEU 13 HA LEU 13 7.902 -6.825 -3.282 116 HB2 LEU 13 2HB LEU 13 7.036 -3.926 -3.803 117 HB3 LEU 13 1HB LEU 13 7.970 -4.709 -5.012 118 HG LEU 13 HG LEU 13 5.402 -4.692 -5.192 119 HD11 LEU 13 1HD1 LEU 13 5.917 -7.508 -5.880 120 HD12 LEU 13 2HD1 LEU 13 5.776 -6.087 -6.926 121 HD13 LEU 13 3HD1 LEU 13 7.352 -6.546 -6.254 122 HD21 LEU 13 1HD2 LEU 13 5.501 -7.239 -3.456 123 HD22 LEU 13 2HD2 LEU 13 4.847 -5.689 -2.934 124 HD23 LEU 13 3HD2 LEU 13 4.086 -6.551 -4.283 125 HN1 NH2 14 1HN NH2 14 11.128 -4.451 -2.523 126 HN2 NH2 14 2HN NH2 14 9.469 -3.798 -2.091 Start of MODEL 18 1 H1 PHE 1 1H PHE 1 -12.211 7.385 0.245 2 H2 PHE 1 2H PHE 1 -11.498 7.118 1.712 3 H3 PHE 1 3H PHE 1 -10.769 8.105 0.619 4 HA PHE 1 HA PHE 1 -11.175 5.170 0.297 5 HB2 PHE 1 2HB PHE 1 -10.505 7.319 -1.718 6 HB3 PHE 1 1HB PHE 1 -9.248 6.150 -1.646 7 HD1 PHE 1 HD1 PHE 1 -12.925 6.518 -2.207 8 HD2 PHE 1 HD2 PHE 1 -9.541 3.871 -2.522 9 HE1 PHE 1 HE1 PHE 1 -14.261 4.948 -3.543 10 HE2 PHE 1 HE2 PHE 1 -10.893 2.322 -3.870 11 HZ PHE 1 HZ PHE 1 -13.251 2.853 -4.380 12 H VAL 2 H VAL 2 -9.847 4.110 1.639 13 HA VAL 2 HA VAL 2 -6.984 5.161 2.009 14 HB VAL 2 HB VAL 2 -8.487 3.726 4.243 15 HG11 VAL 2 1HG1 VAL 2 -5.820 3.706 4.068 16 HG12 VAL 2 2HG1 VAL 2 -5.926 5.406 4.573 17 HG13 VAL 2 3HG1 VAL 2 -6.582 4.121 5.609 18 HG21 VAL 2 1HG2 VAL 2 -8.365 6.051 5.469 19 HG22 VAL 2 2HG2 VAL 2 -8.133 6.766 3.853 20 HG23 VAL 2 3HG2 VAL 2 -9.615 5.862 4.230 21 HA JKH 3 HA CAP 3 -6.771 0.743 0.363 22 HD2 JKH 3 1HD CAP 3 -7.762 4.136 -0.881 23 HD3 JKH 3 2HD CAP 3 -6.315 4.892 -0.182 24 HB3 JKH 3 2HB CAP 3 -5.365 1.154 -1.929 25 HB2 JKH 3 1HB CAP 3 -7.086 1.477 -1.842 26 HG JKH 3 HG CAP 3 -6.360 3.590 -2.677 27 HG22 JKH 3 1HG2 CAP 3 -4.314 4.679 -1.682 28 HG21 JKH 3 2HG2 CAP 3 -4.057 3.295 -0.797 29 HG23 JKH 3 3HG2 CAP 3 -3.954 3.243 -2.425 30 H TRP 4 H TRP 4 -5.666 1.274 2.548 31 HA TRP 4 HA TRP 4 -2.782 1.464 2.848 32 HB2 TRP 4 1HB TRP 4 -3.000 0.059 4.891 33 HB3 TRP 4 2HB TRP 4 -4.036 1.455 4.839 34 HD1 TRP 4 HD1 TRP 4 -6.681 1.107 4.903 35 HE1 TRP 4 HE1 TRP 4 -8.350 -0.927 5.204 36 HE3 TRP 4 HE3 TRP 4 -3.191 -2.597 4.404 37 HZ2 TRP 4 HZ2 TRP 4 -8.007 -3.744 5.142 38 HZ3 TRP 4 HZ3 TRP 4 -3.934 -4.951 4.480 39 HH2 TRP 4 HH2 TRP 4 -6.304 -5.521 4.848 40 H PHE 5 H PHE 5 -4.656 -1.301 1.745 41 HA PHE 5 HA PHE 5 -2.579 -3.198 1.420 42 HB2 PHE 5 2HB PHE 5 -5.264 -3.244 0.842 43 HB3 PHE 5 1HB PHE 5 -4.683 -3.067 -0.782 44 HD1 PHE 5 HD1 PHE 5 -5.150 -5.322 2.007 45 HD2 PHE 5 HD2 PHE 5 -2.880 -4.862 -1.618 46 HE1 PHE 5 HE1 PHE 5 -4.591 -7.714 2.047 47 HE2 PHE 5 HE2 PHE 5 -2.325 -7.260 -1.562 48 HZ PHE 5 HZ PHE 5 -3.179 -8.690 0.267 49 H SER 6 H SER 6 -3.183 -0.469 -0.705 50 HA SER 6 HA SER 6 -0.810 -1.195 -2.517 51 HB2 SER 6 2HB SER 6 -3.222 0.641 -2.864 52 HB3 SER 6 1HB SER 6 -1.707 1.193 -3.550 53 HG SER 6 HG SER 6 -3.217 -1.043 -4.239 54 H LYS 7 H LYS 7 -1.226 0.372 0.391 55 HA LYS 7 HA LYS 7 1.001 2.402 -0.086 56 HB2 LYS 7 2HB LYS 7 -1.427 2.537 1.448 57 HB3 LYS 7 1HB LYS 7 -0.243 2.265 2.668 58 HG2 LYS 7 2HG LYS 7 0.583 4.388 0.664 59 HG3 LYS 7 1HG LYS 7 -0.988 4.703 1.349 60 HD2 LYS 7 2HD LYS 7 -0.171 4.779 3.626 61 HD3 LYS 7 1HD LYS 7 1.382 4.048 3.200 62 HE2 LYS 7 2HE LYS 7 2.020 6.042 1.810 63 HE3 LYS 7 1HE LYS 7 0.449 6.801 2.091 64 HZ1 LYS 7 1HZ LYS 7 2.170 7.626 3.709 65 HZ2 LYS 7 2HZ LYS 7 0.968 6.856 4.526 66 HZ3 LYS 7 3HZ LYS 7 2.405 6.105 4.291 67 H PHE 8 H PHE 8 0.404 -0.535 1.744 68 HA PHE 8 HA PHE 8 3.235 -0.602 2.823 69 HB2 PHE 8 2HB PHE 8 2.620 -2.252 4.227 70 HB3 PHE 8 1HB PHE 8 1.082 -1.489 4.079 71 HD1 PHE 8 HD1 PHE 8 2.621 -4.607 4.204 72 HD2 PHE 8 HD2 PHE 8 -0.358 -2.601 1.869 73 HE1 PHE 8 HE1 PHE 8 1.770 -6.776 3.403 74 HE2 PHE 8 HE2 PHE 8 -1.168 -4.789 1.048 75 HZ PHE 8 HZ PHE 8 -0.123 -6.853 1.809 76 H LEU 9 H LEU 9 1.392 -2.277 0.286 77 HA LEU 9 HA LEU 9 3.171 -4.288 -0.447 78 HB2 LEU 9 2HB LEU 9 0.798 -3.756 -1.270 79 HB3 LEU 9 1HB LEU 9 1.480 -2.741 -2.498 80 HG LEU 9 HG LEU 9 2.760 -5.445 -2.461 81 HD11 LEU 9 1HD1 LEU 9 0.504 -6.065 -1.444 82 HD12 LEU 9 2HD1 LEU 9 -0.256 -5.575 -2.978 83 HD13 LEU 9 3HD1 LEU 9 0.936 -6.904 -2.944 84 HD21 LEU 9 1HD2 LEU 9 2.012 -5.470 -4.887 85 HD22 LEU 9 2HD2 LEU 9 1.087 -3.977 -4.614 86 HD23 LEU 9 3HD2 LEU 9 2.862 -3.970 -4.465 87 H GLY 10 H GLY 10 3.358 -1.021 -1.831 88 HA2 GLY 10 1HA GLY 10 5.646 -1.121 -3.594 89 HA3 GLY 10 2HA GLY 10 5.300 0.219 -2.524 90 H ARG 11 H ARG 11 5.732 -1.036 -0.051 91 HA ARG 11 HA ARG 11 8.752 -1.235 0.080 92 HB2 ARG 11 2HB ARG 11 6.682 -1.378 2.367 93 HB3 ARG 11 1HB ARG 11 8.418 -1.397 2.565 94 HG2 ARG 11 2HG ARG 11 6.705 0.977 1.640 95 HG3 ARG 11 1HG ARG 11 7.647 0.807 3.116 96 HD2 ARG 11 2HD ARG 11 9.732 0.507 1.385 97 HD3 ARG 11 1HD ARG 11 8.601 1.229 0.222 98 HE ARG 11 HE ARG 11 8.808 2.832 2.731 99 HH11 ARG 11 1HH1 ARG 11 11.465 3.719 -0.133 100 HH12 ARG 11 2HH1 ARG 11 10.470 2.190 -0.254 101 HH21 ARG 11 1HH2 ARG 11 11.172 4.982 1.568 102 HH22 ARG 11 2HH2 ARG 11 9.961 4.551 2.860 103 H ILE 12 H ILE 12 6.021 -3.430 0.732 104 HA ILE 12 HA ILE 12 7.606 -5.797 1.478 105 HB ILE 12 HB ILE 12 4.886 -5.627 0.089 106 HG12 ILE 12 2HG1 ILE 12 4.826 -4.484 2.290 107 HG13 ILE 12 1HG1 ILE 12 3.790 -5.870 2.180 108 HG21 ILE 12 1HG2 ILE 12 5.612 -7.919 -0.261 109 HG22 ILE 12 2HG2 ILE 12 6.130 -8.094 1.430 110 HG23 ILE 12 3HG2 ILE 12 4.400 -7.947 1.029 111 HD11 ILE 12 1HD1 ILE 12 6.546 -6.004 3.587 112 HD12 ILE 12 2HD1 ILE 12 5.028 -5.604 4.423 113 HD13 ILE 12 3HD1 ILE 12 5.230 -7.203 3.673 114 H LEU 13 H LEU 13 6.622 -4.686 -1.755 115 HA LEU 13 HA LEU 13 7.855 -6.821 -3.339 116 HB2 LEU 13 2HB LEU 13 7.020 -3.908 -3.838 117 HB3 LEU 13 1HB LEU 13 7.932 -4.707 -5.060 118 HG LEU 13 HG LEU 13 5.332 -4.664 -5.196 119 HD11 LEU 13 1HD1 LEU 13 7.177 -6.965 -5.956 120 HD12 LEU 13 2HD1 LEU 13 5.436 -7.171 -6.235 121 HD13 LEU 13 3HD1 LEU 13 6.288 -5.811 -6.979 122 HD21 LEU 13 1HD2 LEU 13 5.484 -7.247 -3.519 123 HD22 LEU 13 2HD2 LEU 13 4.836 -5.710 -2.943 124 HD23 LEU 13 3HD2 LEU 13 4.051 -6.537 -4.296 125 HN1 NH2 14 1HN NH2 14 11.110 -4.519 -2.541 126 HN2 NH2 14 2HN NH2 14 9.464 -3.856 -2.080 Start of MODEL 19 1 H1 PHE 1 1H PHE 1 -12.221 7.418 0.260 2 H2 PHE 1 2H PHE 1 -11.426 7.333 1.713 3 H3 PHE 1 3H PHE 1 -10.743 8.124 0.441 4 HA PHE 1 HA PHE 1 -11.259 5.205 0.503 5 HB2 PHE 1 2HB PHE 1 -9.915 5.075 -1.589 6 HB3 PHE 1 1HB PHE 1 -11.449 5.841 -1.770 7 HD1 PHE 1 HD1 PHE 1 -11.618 8.298 -2.237 8 HD2 PHE 1 HD2 PHE 1 -7.768 6.397 -1.944 9 HE1 PHE 1 HE1 PHE 1 -10.545 10.317 -3.126 10 HE2 PHE 1 HE2 PHE 1 -6.713 8.421 -2.870 11 HZ PHE 1 HZ PHE 1 -8.094 10.389 -3.438 12 H VAL 2 H VAL 2 -9.859 4.086 1.665 13 HA VAL 2 HA VAL 2 -6.989 5.087 2.024 14 HB VAL 2 HB VAL 2 -8.204 5.533 4.071 15 HG11 VAL 2 1HG1 VAL 2 -8.555 2.631 4.922 16 HG12 VAL 2 2HG1 VAL 2 -9.442 4.096 5.407 17 HG13 VAL 2 3HG1 VAL 2 -9.778 3.309 3.856 18 HG21 VAL 2 1HG2 VAL 2 -6.499 3.498 5.328 19 HG22 VAL 2 2HG2 VAL 2 -5.681 4.119 3.897 20 HG23 VAL 2 3HG2 VAL 2 -6.241 5.235 5.155 21 HA JKH 3 HA CAP 3 -6.755 0.712 0.321 22 HD2 JKH 3 1HD CAP 3 -7.777 4.111 -0.888 23 HD3 JKH 3 2HD CAP 3 -6.326 4.867 -0.197 24 HB3 JKH 3 2HB CAP 3 -5.356 1.146 -1.971 25 HB2 JKH 3 1HB CAP 3 -7.081 1.449 -1.876 26 HG JKH 3 HG CAP 3 -6.392 3.574 -2.703 27 HG22 JKH 3 1HG2 CAP 3 -4.331 4.653 -1.757 28 HG21 JKH 3 2HG2 CAP 3 -4.069 3.261 -0.860 29 HG23 JKH 3 3HG2 CAP 3 -3.995 3.206 -2.487 30 H TRP 4 H TRP 4 -5.666 1.258 2.515 31 HA TRP 4 HA TRP 4 -2.785 1.459 2.827 32 HB2 TRP 4 1HB TRP 4 -3.002 0.063 4.877 33 HB3 TRP 4 2HB TRP 4 -4.039 1.457 4.818 34 HD1 TRP 4 HD1 TRP 4 -6.678 1.108 4.883 35 HE1 TRP 4 HE1 TRP 4 -8.350 -0.921 5.200 36 HE3 TRP 4 HE3 TRP 4 -3.194 -2.600 4.401 37 HZ2 TRP 4 HZ2 TRP 4 -8.012 -3.738 5.144 38 HZ3 TRP 4 HZ3 TRP 4 -3.941 -4.953 4.483 39 HH2 TRP 4 HH2 TRP 4 -6.311 -5.518 4.855 40 H PHE 5 H PHE 5 -4.654 -1.317 1.752 41 HA PHE 5 HA PHE 5 -2.582 -3.215 1.419 42 HB2 PHE 5 2HB PHE 5 -5.299 -3.166 0.748 43 HB3 PHE 5 1HB PHE 5 -4.610 -3.140 -0.839 44 HD1 PHE 5 HD1 PHE 5 -2.750 -5.034 -1.360 45 HD2 PHE 5 HD2 PHE 5 -5.440 -5.180 1.993 46 HE1 PHE 5 HE1 PHE 5 -2.292 -7.437 -1.085 47 HE2 PHE 5 HE2 PHE 5 -4.981 -7.580 2.250 48 HZ PHE 5 HZ PHE 5 -3.405 -8.714 0.718 49 H SER 6 H SER 6 -3.148 -0.456 -0.661 50 HA SER 6 HA SER 6 -0.771 -1.203 -2.450 51 HB2 SER 6 2HB SER 6 -3.307 0.201 -3.036 52 HB3 SER 6 1HB SER 6 -1.987 1.320 -3.283 53 HG SER 6 HG SER 6 -1.983 -1.351 -4.278 54 H LYS 7 H LYS 7 -1.185 0.392 0.415 55 HA LYS 7 HA LYS 7 1.044 2.445 -0.060 56 HB2 LYS 7 2HB LYS 7 -0.670 1.988 2.451 57 HB3 LYS 7 1HB LYS 7 0.536 3.220 2.259 58 HG2 LYS 7 2HG LYS 7 -1.280 3.544 -0.010 59 HG3 LYS 7 1HG LYS 7 -2.293 3.215 1.381 60 HD2 LYS 7 2HD LYS 7 -1.173 5.092 2.659 61 HD3 LYS 7 1HD LYS 7 -0.120 5.405 1.273 62 HE2 LYS 7 2HE LYS 7 -2.110 5.963 -0.178 63 HE3 LYS 7 1HE LYS 7 -3.221 5.579 1.154 64 HZ1 LYS 7 1HZ LYS 7 -2.717 8.028 1.090 65 HZ2 LYS 7 2HZ LYS 7 -2.135 7.386 2.488 66 HZ3 LYS 7 3HZ LYS 7 -1.109 7.738 1.265 67 H PHE 8 H PHE 8 0.430 -0.530 1.753 68 HA PHE 8 HA PHE 8 3.256 -0.616 2.835 69 HB2 PHE 8 2HB PHE 8 2.626 -2.254 4.243 70 HB3 PHE 8 1HB PHE 8 1.092 -1.486 4.082 71 HD1 PHE 8 HD1 PHE 8 2.629 -4.609 4.215 72 HD2 PHE 8 HD2 PHE 8 -0.347 -2.600 1.877 73 HE1 PHE 8 HE1 PHE 8 1.778 -6.777 3.410 74 HE2 PHE 8 HE2 PHE 8 -1.153 -4.784 1.055 75 HZ PHE 8 HZ PHE 8 -0.114 -6.851 1.815 76 H LEU 9 H LEU 9 1.415 -2.290 0.299 77 HA LEU 9 HA LEU 9 3.197 -4.302 -0.442 78 HB2 LEU 9 2HB LEU 9 0.822 -3.782 -1.230 79 HB3 LEU 9 1HB LEU 9 1.478 -2.745 -2.455 80 HG LEU 9 HG LEU 9 2.759 -5.451 -2.495 81 HD11 LEU 9 1HD1 LEU 9 -0.303 -5.424 -2.582 82 HD12 LEU 9 2HD1 LEU 9 0.704 -6.739 -3.243 83 HD13 LEU 9 3HD1 LEU 9 0.772 -6.356 -1.513 84 HD21 LEU 9 1HD2 LEU 9 1.955 -5.424 -4.903 85 HD22 LEU 9 2HD2 LEU 9 1.077 -3.911 -4.586 86 HD23 LEU 9 3HD2 LEU 9 2.855 -3.962 -4.467 87 H GLY 10 H GLY 10 3.379 -1.022 -1.809 88 HA2 GLY 10 1HA GLY 10 5.653 -1.118 -3.586 89 HA3 GLY 10 2HA GLY 10 5.320 0.219 -2.510 90 H ARG 11 H ARG 11 5.787 -0.980 -0.053 91 HA ARG 11 HA ARG 11 8.803 -1.192 0.121 92 HB2 ARG 11 2HB ARG 11 6.538 -1.227 2.210 93 HB3 ARG 11 1HB ARG 11 8.170 -1.599 2.662 94 HG2 ARG 11 2HG ARG 11 7.509 1.053 1.233 95 HG3 ARG 11 1HG ARG 11 7.268 0.830 2.948 96 HD2 ARG 11 2HD ARG 11 9.927 -0.126 2.659 97 HD3 ARG 11 1HD ARG 11 9.898 1.067 1.394 98 HE ARG 11 HE ARG 11 9.810 1.531 4.355 99 HH11 ARG 11 1HH1 ARG 11 8.791 4.686 2.120 100 HH12 ARG 11 2HH1 ARG 11 8.900 3.018 1.368 101 HH21 ARG 11 1HH2 ARG 11 9.223 4.867 4.215 102 HH22 ARG 11 2HH2 ARG 11 9.684 3.408 5.202 103 H ILE 12 H ILE 12 6.045 -3.414 0.733 104 HA ILE 12 HA ILE 12 7.618 -5.782 1.480 105 HB ILE 12 HB ILE 12 4.899 -5.620 0.092 106 HG12 ILE 12 2HG1 ILE 12 4.840 -4.476 2.294 107 HG13 ILE 12 1HG1 ILE 12 3.803 -5.862 2.182 108 HG21 ILE 12 1HG2 ILE 12 6.146 -8.086 1.428 109 HG22 ILE 12 2HG2 ILE 12 4.413 -7.940 1.042 110 HG23 ILE 12 3HG2 ILE 12 5.614 -7.911 -0.259 111 HD11 ILE 12 1HD1 ILE 12 6.553 -5.971 3.604 112 HD12 ILE 12 2HD1 ILE 12 5.015 -5.620 4.427 113 HD13 ILE 12 3HD1 ILE 12 5.265 -7.203 3.661 114 H LEU 13 H LEU 13 6.633 -4.693 -1.753 115 HA LEU 13 HA LEU 13 7.858 -6.836 -3.339 116 HB2 LEU 13 2HB LEU 13 7.023 -3.921 -3.824 117 HB3 LEU 13 1HB LEU 13 7.944 -4.703 -5.046 118 HG LEU 13 HG LEU 13 5.367 -4.658 -5.210 119 HD11 LEU 13 1HD1 LEU 13 7.306 -6.632 -6.211 120 HD12 LEU 13 2HD1 LEU 13 5.735 -7.416 -6.007 121 HD13 LEU 13 3HD1 LEU 13 5.864 -5.954 -6.993 122 HD21 LEU 13 1HD2 LEU 13 4.043 -6.507 -4.317 123 HD22 LEU 13 2HD2 LEU 13 5.457 -7.230 -3.516 124 HD23 LEU 13 3HD2 LEU 13 4.829 -5.681 -2.960 125 HN1 NH2 14 1HN NH2 14 11.108 -4.496 -2.570 126 HN2 NH2 14 2HN NH2 14 9.456 -3.819 -2.150 Start of MODEL 20 1 H1 PHE 1 1H PHE 1 -12.219 7.407 0.247 2 H2 PHE 1 2H PHE 1 -11.492 7.236 1.720 3 H3 PHE 1 3H PHE 1 -10.771 8.146 0.557 4 HA PHE 1 HA PHE 1 -11.211 5.206 0.440 5 HB2 PHE 1 2HB PHE 1 -10.501 7.197 -1.724 6 HB3 PHE 1 1HB PHE 1 -9.320 5.955 -1.607 7 HD1 PHE 1 HD1 PHE 1 -12.802 6.638 -2.536 8 HD2 PHE 1 HD2 PHE 1 -9.922 3.498 -1.892 9 HE1 PHE 1 HE1 PHE 1 -14.232 5.056 -3.758 10 HE2 PHE 1 HE2 PHE 1 -11.366 1.937 -3.126 11 HZ PHE 1 HZ PHE 1 -13.519 2.709 -4.058 12 H VAL 2 H VAL 2 -9.851 4.130 1.656 13 HA VAL 2 HA VAL 2 -6.975 5.111 2.015 14 HB VAL 2 HB VAL 2 -8.194 5.555 4.063 15 HG11 VAL 2 1HG1 VAL 2 -8.552 2.652 4.905 16 HG12 VAL 2 2HG1 VAL 2 -9.439 4.116 5.391 17 HG13 VAL 2 3HG1 VAL 2 -9.771 3.333 3.838 18 HG21 VAL 2 1HG2 VAL 2 -5.676 4.133 3.883 19 HG22 VAL 2 2HG2 VAL 2 -6.229 5.252 5.141 20 HG23 VAL 2 3HG2 VAL 2 -6.495 3.515 5.316 21 HA JKH 3 HA CAP 3 -6.740 0.732 0.308 22 HD2 JKH 3 1HD CAP 3 -7.760 4.139 -0.908 23 HD3 JKH 3 2HD CAP 3 -6.319 4.890 -0.194 24 HB3 JKH 3 2HB CAP 3 -5.325 1.177 -1.971 25 HB2 JKH 3 1HB CAP 3 -7.051 1.479 -1.890 26 HG JKH 3 HG CAP 3 -6.348 3.607 -2.704 27 HG22 JKH 3 1HG2 CAP 3 -4.311 4.702 -1.700 28 HG21 JKH 3 2HG2 CAP 3 -4.052 3.316 -0.816 29 HG23 JKH 3 3HG2 CAP 3 -3.943 3.268 -2.443 30 H TRP 4 H TRP 4 -5.662 1.281 2.513 31 HA TRP 4 HA TRP 4 -2.777 1.475 2.834 32 HB2 TRP 4 1HB TRP 4 -3.003 0.074 4.878 33 HB3 TRP 4 2HB TRP 4 -4.039 1.469 4.821 34 HD1 TRP 4 HD1 TRP 4 -6.679 1.120 4.870 35 HE1 TRP 4 HE1 TRP 4 -8.353 -0.907 5.184 36 HE3 TRP 4 HE3 TRP 4 -3.195 -2.589 4.401 37 HZ2 TRP 4 HZ2 TRP 4 -8.015 -3.724 5.132 38 HZ3 TRP 4 HZ3 TRP 4 -3.944 -4.941 4.482 39 HH2 TRP 4 HH2 TRP 4 -6.314 -5.505 4.848 40 H PHE 5 H PHE 5 -4.657 -1.295 1.754 41 HA PHE 5 HA PHE 5 -2.588 -3.200 1.423 42 HB2 PHE 5 2HB PHE 5 -5.303 -3.158 0.754 43 HB3 PHE 5 1HB PHE 5 -4.616 -3.128 -0.834 44 HD1 PHE 5 HD1 PHE 5 -2.758 -5.020 -1.367 45 HD2 PHE 5 HD2 PHE 5 -5.432 -5.173 1.999 46 HE1 PHE 5 HE1 PHE 5 -2.300 -7.424 -1.099 47 HE2 PHE 5 HE2 PHE 5 -4.969 -7.573 2.250 48 HZ PHE 5 HZ PHE 5 -3.402 -8.705 0.708 49 H SER 6 H SER 6 -3.154 -0.438 -0.677 50 HA SER 6 HA SER 6 -0.835 -1.249 -2.512 51 HB2 SER 6 2HB SER 6 -3.235 -0.199 -3.306 52 HB3 SER 6 1HB SER 6 -2.398 1.318 -2.965 53 HG SER 6 HG SER 6 -2.090 0.456 -5.121 54 H LYS 7 H LYS 7 -1.182 0.382 0.354 55 HA LYS 7 HA LYS 7 1.044 2.417 -0.124 56 HB2 LYS 7 2HB LYS 7 -1.383 2.484 1.429 57 HB3 LYS 7 1HB LYS 7 -0.185 2.232 2.631 58 HG2 LYS 7 2HG LYS 7 0.526 4.444 0.649 59 HG3 LYS 7 1HG LYS 7 -1.049 4.627 1.381 60 HD2 LYS 7 2HD LYS 7 0.090 4.259 3.701 61 HD3 LYS 7 1HD LYS 7 1.639 4.413 2.881 62 HE2 LYS 7 2HE LYS 7 1.289 6.732 2.291 63 HE3 LYS 7 1HE LYS 7 -0.464 6.620 2.381 64 HZ1 LYS 7 1HZ LYS 7 0.380 7.746 4.403 65 HZ2 LYS 7 2HZ LYS 7 -0.288 6.314 4.842 66 HZ3 LYS 7 3HZ LYS 7 1.341 6.466 4.794 67 H PHE 8 H PHE 8 0.428 -0.515 1.735 68 HA PHE 8 HA PHE 8 3.253 -0.602 2.820 69 HB2 PHE 8 2HB PHE 8 2.625 -2.237 4.232 70 HB3 PHE 8 1HB PHE 8 1.090 -1.471 4.073 71 HD1 PHE 8 HD1 PHE 8 -0.351 -2.589 1.873 72 HD2 PHE 8 HD2 PHE 8 2.626 -4.595 4.214 73 HE1 PHE 8 HE1 PHE 8 -1.160 -4.775 1.057 74 HE2 PHE 8 HE2 PHE 8 1.771 -6.764 3.416 75 HZ PHE 8 HZ PHE 8 -0.120 -6.841 1.821 76 H LEU 9 H LEU 9 1.400 -2.273 0.288 77 HA LEU 9 HA LEU 9 3.170 -4.291 -0.447 78 HB2 LEU 9 2HB LEU 9 0.796 -3.738 -1.279 79 HB3 LEU 9 1HB LEU 9 1.496 -2.739 -2.508 80 HG LEU 9 HG LEU 9 2.759 -5.446 -2.449 81 HD11 LEU 9 1HD1 LEU 9 0.441 -6.003 -1.439 82 HD12 LEU 9 2HD1 LEU 9 -0.231 -5.634 -3.045 83 HD13 LEU 9 3HD1 LEU 9 0.977 -6.930 -2.849 84 HD21 LEU 9 1HD2 LEU 9 1.098 -3.983 -4.613 85 HD22 LEU 9 2HD2 LEU 9 2.873 -3.992 -4.462 86 HD23 LEU 9 3HD2 LEU 9 2.009 -5.486 -4.878 87 H GLY 10 H GLY 10 3.368 -1.025 -1.835 88 HA2 GLY 10 1HA GLY 10 5.661 -1.132 -3.588 89 HA3 GLY 10 2HA GLY 10 5.318 0.209 -2.519 90 H ARG 11 H ARG 11 5.743 -1.051 -0.046 91 HA ARG 11 HA ARG 11 8.766 -1.266 0.086 92 HB2 ARG 11 2HB ARG 11 6.708 -1.363 2.382 93 HB3 ARG 11 1HB ARG 11 8.446 -1.357 2.569 94 HG2 ARG 11 2HG ARG 11 6.703 0.965 1.554 95 HG3 ARG 11 1HG ARG 11 7.610 0.874 3.063 96 HD2 ARG 11 2HD ARG 11 9.789 0.722 1.676 97 HD3 ARG 11 1HD ARG 11 8.800 0.929 0.210 98 HE ARG 11 HE ARG 11 8.272 3.148 2.070 99 HH11 ARG 11 1HH1 ARG 11 11.271 3.666 -0.547 100 HH12 ARG 11 2HH1 ARG 11 10.628 1.989 -0.211 101 HH21 ARG 11 1HH2 ARG 11 10.391 5.309 0.497 102 HH22 ARG 11 2HH2 ARG 11 9.032 5.052 1.685 103 H ILE 12 H ILE 12 6.025 -3.437 0.741 104 HA ILE 12 HA ILE 12 7.602 -5.809 1.492 105 HB ILE 12 HB ILE 12 4.886 -5.631 0.095 106 HG12 ILE 12 2HG1 ILE 12 4.808 -4.490 2.293 107 HG13 ILE 12 1HG1 ILE 12 3.786 -5.888 2.188 108 HG21 ILE 12 1HG2 ILE 12 4.395 -7.951 1.029 109 HG22 ILE 12 2HG2 ILE 12 5.615 -7.924 -0.253 110 HG23 ILE 12 3HG2 ILE 12 6.122 -8.099 1.441 111 HD11 ILE 12 1HD1 ILE 12 6.536 -5.932 3.619 112 HD12 ILE 12 2HD1 ILE 12 4.981 -5.642 4.432 113 HD13 ILE 12 3HD1 ILE 12 5.295 -7.211 3.659 114 H LEU 13 H LEU 13 6.624 -4.694 -1.744 115 HA LEU 13 HA LEU 13 7.856 -6.832 -3.325 116 HB2 LEU 13 2HB LEU 13 7.022 -3.920 -3.827 117 HB3 LEU 13 1HB LEU 13 7.938 -4.717 -5.047 118 HG LEU 13 HG LEU 13 5.344 -4.677 -5.192 119 HD11 LEU 13 1HD1 LEU 13 7.241 -6.879 -6.017 120 HD12 LEU 13 2HD1 LEU 13 5.518 -7.272 -6.152 121 HD13 LEU 13 3HD1 LEU 13 6.161 -5.852 -6.987 122 HD21 LEU 13 1HD2 LEU 13 4.053 -6.541 -4.292 123 HD22 LEU 13 2HD2 LEU 13 5.480 -7.251 -3.504 124 HD23 LEU 13 3HD2 LEU 13 4.834 -5.709 -2.939 125 HN1 NH2 14 1HN NH2 14 11.114 -4.530 -2.531 126 HN2 NH2 14 2HN NH2 14 9.467 -3.865 -2.073
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