NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
642366 | 6csz | 30440 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H2 PRO 1 HT1 PRO 1 -12.591 3.701 3.665 2 H3 PRO 1 HT2 PRO 1 -12.102 4.850 2.623 3 HA PRO 1 HA PRO 1 -13.929 3.610 1.724 4 HB2 PRO 1 HB2 PRO 1 -12.361 2.161 -0.018 5 HB3 PRO 1 HB1 PRO 1 -12.715 3.888 -0.195 6 HG2 PRO 1 HG2 PRO 1 -10.311 2.554 0.985 7 HG3 PRO 1 HG1 PRO 1 -10.396 3.992 -0.049 8 HD2 PRO 1 HD2 PRO 1 -9.975 4.271 2.541 9 HD3 PRO 1 HD1 PRO 1 -11.032 5.362 1.664 10 H MET 2 HN MET 2 -14.966 1.582 1.500 11 HA MET 2 HA MET 2 -14.234 -0.388 3.415 12 HB2 MET 2 HB2 MET 2 -16.089 -1.738 2.561 13 HB3 MET 2 HB1 MET 2 -16.583 -0.074 2.819 14 HG2 MET 2 HG2 MET 2 -16.512 0.352 0.444 15 HG3 MET 2 HG1 MET 2 -15.874 -1.263 0.139 16 HE1 MET 2 HE1 MET 2 -18.627 -0.310 2.771 17 HE2 MET 2 HE2 MET 2 -20.100 -0.478 1.829 18 HE3 MET 2 HE3 MET 2 -18.955 0.813 1.448 19 H ALA 3 HN ALA 3 -13.670 0.012 0.038 20 HA ALA 3 HA ALA 3 -12.718 -2.606 -0.454 21 HB1 ALA 3 HB1 ALA 3 -12.211 -0.027 -1.943 22 HB2 ALA 3 HB2 ALA 3 -13.528 -1.156 -2.260 23 HB3 ALA 3 HB3 ALA 3 -11.856 -1.648 -2.538 24 H LYS 4 HN LYS 4 -10.724 -3.362 -0.276 25 HA LYS 4 HA LYS 4 -8.969 -1.891 1.444 26 HB2 LYS 4 HB2 LYS 4 -8.793 -4.731 0.426 27 HB3 LYS 4 HB1 LYS 4 -7.577 -4.000 1.457 28 HG2 LYS 4 HG2 LYS 4 -8.963 -5.270 2.893 29 HG3 LYS 4 HG1 LYS 4 -9.426 -3.589 3.137 30 HD2 LYS 4 HD2 LYS 4 -11.329 -3.944 1.576 31 HD3 LYS 4 HD1 LYS 4 -10.886 -5.645 1.478 32 HE2 LYS 4 HE2 LYS 4 -12.665 -5.445 3.059 33 HE3 LYS 4 HE1 LYS 4 -11.188 -5.783 3.951 34 HZ1 LYS 4 HZ1 LYS 4 -11.024 -3.455 4.548 35 HZ2 LYS 4 HZ2 LYS 4 -12.550 -4.039 4.974 36 HZ3 LYS 4 HZ3 LYS 4 -12.375 -3.089 3.600 37 H LEU 5 HN LEU 5 -9.325 -2.019 -1.763 38 HA LEU 5 HA LEU 5 -6.808 -2.286 -2.866 39 HB2 LEU 5 HB2 LEU 5 -9.129 -0.602 -3.779 40 HB3 LEU 5 HB1 LEU 5 -7.634 -0.671 -4.680 41 HG LEU 5 HG LEU 5 -7.971 -3.136 -4.962 42 HD11 LEU 5 HD11 LEU 5 -10.134 -4.113 -4.556 43 HD12 LEU 5 HD12 LEU 5 -10.694 -2.619 -3.815 44 HD13 LEU 5 HD13 LEU 5 -9.412 -3.561 -3.042 45 HD21 LEU 5 HD21 LEU 5 -10.181 -1.366 -5.978 46 HD22 LEU 5 HD22 LEU 5 -9.759 -2.949 -6.622 47 HD23 LEU 5 HD23 LEU 5 -8.605 -1.621 -6.731 48 H LEU 6 HN LEU 6 -8.246 0.821 -1.770 49 HA LEU 6 HA LEU 6 -5.944 2.291 -2.382 50 HB2 LEU 6 HB2 LEU 6 -8.069 3.407 -2.051 51 HB3 LEU 6 HB1 LEU 6 -8.110 2.966 -0.361 52 HG LEU 6 HG LEU 6 -6.089 4.405 -0.024 53 HD11 LEU 6 HD11 LEU 6 -5.529 6.036 -1.757 54 HD12 LEU 6 HD12 LEU 6 -6.650 5.243 -2.863 55 HD13 LEU 6 HD13 LEU 6 -5.220 4.383 -2.289 56 HD21 LEU 6 HD21 LEU 6 -7.313 6.521 -0.146 57 HD22 LEU 6 HD22 LEU 6 -8.329 5.226 0.488 58 HD23 LEU 6 HD23 LEU 6 -8.521 5.762 -1.182 59 HA PRO 7 HA PRO 7 -4.450 1.576 2.313 60 HB2 PRO 7 HB2 PRO 7 -5.729 -1.124 2.516 61 HB3 PRO 7 HB1 PRO 7 -5.342 0.027 3.801 62 HG2 PRO 7 HG2 PRO 7 -7.839 -0.230 2.973 63 HG3 PRO 7 HG1 PRO 7 -7.175 1.376 3.323 64 HD2 PRO 7 HD2 PRO 7 -7.711 0.083 0.688 65 HD3 PRO 7 HD1 PRO 7 -7.863 1.784 1.181 66 H ARG 8 HN ARG 8 -5.098 -1.093 0.058 67 HA ARG 8 HA ARG 8 -2.629 -2.426 0.372 68 HB2 ARG 8 HB2 ARG 8 -4.645 -2.396 -1.848 69 HB3 ARG 8 HB1 ARG 8 -3.149 -3.301 -1.991 70 HG2 ARG 8 HG2 ARG 8 -3.732 -4.683 -0.132 71 HG3 ARG 8 HG1 ARG 8 -5.137 -3.680 0.236 72 HD2 ARG 8 HD2 ARG 8 -5.678 -5.800 -0.967 73 HD3 ARG 8 HD1 ARG 8 -6.226 -4.341 -1.787 74 HE ARG 8 HE ARG 8 -3.671 -5.049 -2.696 75 HH11 ARG 8 HH11 ARG 8 -7.017 -6.205 -2.927 76 HH12 ARG 8 HH12 ARG 8 -6.846 -6.834 -4.491 77 HH21 ARG 8 HH21 ARG 8 -3.443 -5.887 -4.873 78 HH22 ARG 8 HH22 ARG 8 -4.753 -6.676 -5.626 79 H ILE 9 HN ILE 9 -3.672 0.065 -1.889 80 HA ILE 9 HA ILE 9 -1.319 0.280 -3.362 81 HB ILE 9 HB ILE 9 -3.314 2.462 -2.644 82 HG12 ILE 9 HG12 ILE 9 -3.018 0.809 -5.167 83 HG13 ILE 9 HG11 ILE 9 -4.240 0.556 -3.927 84 HG21 ILE 9 HG21 ILE 9 -1.195 3.470 -3.290 85 HG22 ILE 9 HG22 ILE 9 -2.402 3.720 -4.552 86 HG23 ILE 9 HG23 ILE 9 -1.155 2.489 -4.755 87 HD11 ILE 9 HD11 ILE 9 -5.183 2.764 -4.425 88 HD12 ILE 9 HD12 ILE 9 -5.159 1.722 -5.846 89 HD13 ILE 9 HD13 ILE 9 -3.955 2.999 -5.668 90 H LYS 10 HN LYS 10 -2.281 1.907 -0.368 91 HA LYS 10 HA LYS 10 0.051 3.446 -0.004 92 HB2 LYS 10 HB2 LYS 10 -1.876 2.319 2.027 93 HB3 LYS 10 HB1 LYS 10 -0.544 3.371 2.465 94 HG2 LYS 10 HG2 LYS 10 -2.810 4.097 0.611 95 HG3 LYS 10 HG1 LYS 10 -2.661 4.583 2.302 96 HD2 LYS 10 HD2 LYS 10 -0.491 5.692 1.714 97 HD3 LYS 10 HD1 LYS 10 -0.825 5.326 0.025 98 HE2 LYS 10 HE2 LYS 10 -2.543 7.016 1.831 99 HE3 LYS 10 HE1 LYS 10 -1.437 7.622 0.606 100 HZ1 LYS 10 HZ1 LYS 10 -2.801 6.441 -1.070 101 HZ2 LYS 10 HZ2 LYS 10 -3.629 7.633 -0.241 102 HZ3 LYS 10 HZ3 LYS 10 -3.899 6.023 0.161 103 H LYS 11 HN LYS 11 -0.696 0.189 1.038 104 HA LYS 11 HA LYS 11 1.679 -0.329 2.446 105 HB2 LYS 11 HB2 LYS 11 -0.314 -1.708 2.654 106 HB3 LYS 11 HB1 LYS 11 -0.181 -2.195 0.974 107 HG2 LYS 11 HG2 LYS 11 1.882 -3.383 1.472 108 HG3 LYS 11 HG1 LYS 11 1.785 -2.864 3.158 109 HD2 LYS 11 HD2 LYS 11 -0.316 -4.037 3.422 110 HD3 LYS 11 HD1 LYS 11 -0.294 -4.507 1.725 111 HE2 LYS 11 HE2 LYS 11 1.755 -5.780 2.117 112 HE3 LYS 11 HE1 LYS 11 1.725 -5.321 3.816 113 HZ1 LYS 11 HZ1 LYS 11 -0.454 -6.446 3.982 114 HZ2 LYS 11 HZ2 LYS 11 0.787 -7.490 3.558 115 HZ3 LYS 11 HZ3 LYS 11 -0.288 -6.967 2.388 116 H LYS 12 HN LYS 12 0.805 -0.739 -0.940 117 HA LYS 12 HA LYS 12 3.250 -1.924 -1.748 118 HB2 LYS 12 HB2 LYS 12 1.195 -0.412 -3.360 119 HB3 LYS 12 HB1 LYS 12 2.546 -1.283 -4.058 120 HG2 LYS 12 HG2 LYS 12 0.302 -2.488 -2.447 121 HG3 LYS 12 HG1 LYS 12 0.471 -2.560 -4.197 122 HD2 LYS 12 HD2 LYS 12 2.340 -3.800 -2.157 123 HD3 LYS 12 HD1 LYS 12 1.186 -4.656 -3.171 124 HE2 LYS 12 HE2 LYS 12 2.420 -3.857 -5.176 125 HE3 LYS 12 HE1 LYS 12 3.606 -3.114 -4.106 126 HZ1 LYS 12 HZ1 LYS 12 4.425 -5.205 -4.805 127 HZ2 LYS 12 HZ2 LYS 12 2.997 -5.991 -4.373 128 HZ3 LYS 12 HZ3 LYS 12 4.010 -5.365 -3.175 129 H ILE 13 HN ILE 13 2.163 1.382 -1.491 130 HA ILE 13 HA ILE 13 4.393 2.581 -2.751 131 HB ILE 13 HB ILE 13 2.567 3.710 -0.593 132 HG12 ILE 13 HG12 ILE 13 2.545 4.137 -3.589 133 HG13 ILE 13 HG11 ILE 13 1.451 3.070 -2.716 134 HG21 ILE 13 HG21 ILE 13 3.363 5.919 -1.277 135 HG22 ILE 13 HG22 ILE 13 4.484 5.167 -2.411 136 HG23 ILE 13 HG23 ILE 13 4.687 4.918 -0.675 137 HD11 ILE 13 HD11 ILE 13 0.392 5.179 -3.267 138 HD12 ILE 13 HD12 ILE 13 1.656 6.050 -2.396 139 HD13 ILE 13 HD13 ILE 13 0.549 4.995 -1.520 140 H LEU 14 HN LEU 14 3.739 1.700 0.600 141 HA LEU 14 HA LEU 14 6.238 2.594 1.599 142 HB2 LEU 14 HB2 LEU 14 4.353 0.509 2.688 143 HB3 LEU 14 HB1 LEU 14 5.744 1.129 3.550 144 HG LEU 14 HG LEU 14 3.325 2.731 2.723 145 HD11 LEU 14 HD11 LEU 14 2.889 2.852 5.116 146 HD12 LEU 14 HD12 LEU 14 4.263 1.790 5.421 147 HD13 LEU 14 HD13 LEU 14 2.862 1.187 4.535 148 HD21 LEU 14 HD21 LEU 14 5.333 4.116 2.696 149 HD22 LEU 14 HD22 LEU 14 5.772 3.534 4.300 150 HD23 LEU 14 HD23 LEU 14 4.327 4.519 4.086 151 H ALA 15 HN ALA 15 5.193 -0.339 0.093 152 HA ALA 15 HA ALA 15 7.495 -1.897 0.658 153 HB1 ALA 15 HB1 ALA 15 5.552 -2.117 -1.639 154 HB2 ALA 15 HB2 ALA 15 5.358 -2.878 -0.063 155 HB3 ALA 15 HB3 ALA 15 6.689 -3.361 -1.120 156 H ALA 16 HN ALA 16 6.561 0.243 -1.976 157 HA ALA 16 HA ALA 16 8.881 -0.178 -3.554 158 HB1 ALA 16 HB1 ALA 16 6.807 0.718 -4.499 159 HB2 ALA 16 HB2 ALA 16 8.156 1.821 -4.783 160 HB3 ALA 16 HB3 ALA 16 6.981 2.172 -3.516 161 H ALA 17 HN ALA 17 8.119 1.813 -0.861 162 HA ALA 17 HA ALA 17 10.338 3.584 -1.056 163 HB1 ALA 17 HB1 ALA 17 8.679 2.854 1.357 164 HB2 ALA 17 HB2 ALA 17 8.320 4.154 0.222 165 HB3 ALA 17 HB3 ALA 17 9.768 4.234 1.227 166 H PHE 18 HN PHE 18 9.877 0.395 0.157 167 HA PHE 18 HA PHE 18 12.254 0.345 1.757 168 HB2 PHE 18 HB2 PHE 18 10.275 -1.094 2.253 169 HB3 PHE 18 HB1 PHE 18 10.516 -1.926 0.728 170 HD1 PHE 18 HD1 PHE 18 11.988 -3.769 0.589 171 HD2 PHE 18 HD2 PHE 18 12.035 -1.281 4.040 172 HE1 PHE 18 HE1 PHE 18 13.438 -5.394 1.738 173 HE2 PHE 18 HE2 PHE 18 13.482 -2.901 5.192 174 HZ PHE 18 HZ PHE 18 14.188 -4.956 4.045 175 H LYS 19 HN LYS 19 14.002 0.821 0.531 176 HA LYS 19 HA LYS 19 14.449 -0.738 -1.917 177 HB2 LYS 19 HB2 LYS 19 15.624 1.952 -1.211 178 HB3 LYS 19 HB1 LYS 19 15.764 1.103 -2.741 179 HG2 LYS 19 HG2 LYS 19 13.363 1.403 -3.114 180 HG3 LYS 19 HG1 LYS 19 13.243 2.269 -1.579 181 HD2 LYS 19 HD2 LYS 19 14.931 3.883 -2.461 182 HD3 LYS 19 HD1 LYS 19 14.812 3.069 -4.018 183 HE2 LYS 19 HE2 LYS 19 12.574 4.449 -2.543 184 HE3 LYS 19 HE1 LYS 19 13.407 5.062 -3.966 185 HZ1 LYS 19 HZ1 LYS 19 11.333 4.118 -4.593 186 HZ2 LYS 19 HZ2 LYS 19 11.640 2.680 -3.800 187 HZ3 LYS 19 HZ3 LYS 19 12.534 3.083 -5.179 Start of MODEL 2 1 H2 PRO 1 HT1 PRO 1 -19.539 -0.014 1.675 2 H3 PRO 1 HT2 PRO 1 -20.287 -1.435 1.374 3 HA PRO 1 HA PRO 1 -18.556 -1.627 3.056 4 HB2 PRO 1 HB2 PRO 1 -16.858 -2.993 1.405 5 HB3 PRO 1 HB1 PRO 1 -18.380 -3.662 2.022 6 HG2 PRO 1 HG2 PRO 1 -17.795 -2.426 -0.635 7 HG3 PRO 1 HG1 PRO 1 -18.817 -3.820 -0.252 8 HD2 PRO 1 HD2 PRO 1 -19.914 -1.455 -0.818 9 HD3 PRO 1 HD1 PRO 1 -20.589 -2.535 0.376 10 H MET 2 HN MET 2 -15.964 -1.632 3.151 11 HA MET 2 HA MET 2 -15.288 1.005 2.156 12 HB2 MET 2 HB2 MET 2 -13.441 1.038 3.761 13 HB3 MET 2 HB1 MET 2 -14.937 0.634 4.563 14 HG2 MET 2 HG2 MET 2 -13.363 -0.753 5.555 15 HG3 MET 2 HG1 MET 2 -14.167 -1.798 4.396 16 HE1 MET 2 HE1 MET 2 -10.948 0.289 5.216 17 HE2 MET 2 HE2 MET 2 -11.389 0.970 3.647 18 HE3 MET 2 HE3 MET 2 -9.940 -0.014 3.804 19 H ALA 3 HN ALA 3 -13.140 1.383 1.238 20 HA ALA 3 HA ALA 3 -12.674 -0.658 -0.751 21 HB1 ALA 3 HB1 ALA 3 -13.016 1.656 -1.501 22 HB2 ALA 3 HB2 ALA 3 -11.418 1.058 -1.944 23 HB3 ALA 3 HB3 ALA 3 -11.600 2.154 -0.577 24 H LYS 4 HN LYS 4 -11.311 -2.182 -0.125 25 HA LYS 4 HA LYS 4 -9.139 -1.689 1.688 26 HB2 LYS 4 HB2 LYS 4 -9.705 -4.118 -0.047 27 HB3 LYS 4 HB1 LYS 4 -8.407 -4.031 1.123 28 HG2 LYS 4 HG2 LYS 4 -10.130 -5.286 2.141 29 HG3 LYS 4 HG1 LYS 4 -10.188 -3.697 2.891 30 HD2 LYS 4 HD2 LYS 4 -12.066 -3.072 1.460 31 HD3 LYS 4 HD1 LYS 4 -11.986 -4.639 0.656 32 HE2 LYS 4 HE2 LYS 4 -12.537 -4.229 3.593 33 HE3 LYS 4 HE1 LYS 4 -13.777 -4.488 2.377 34 HZ1 LYS 4 HZ1 LYS 4 -11.632 -6.404 3.144 35 HZ2 LYS 4 HZ2 LYS 4 -12.719 -6.636 1.886 36 HZ3 LYS 4 HZ3 LYS 4 -13.285 -6.561 3.456 37 H LEU 5 HN LEU 5 -9.668 -1.324 -1.550 38 HA LEU 5 HA LEU 5 -7.269 -1.816 -2.850 39 HB2 LEU 5 HB2 LEU 5 -9.182 0.446 -3.374 40 HB3 LEU 5 HB1 LEU 5 -8.019 -0.211 -4.504 41 HG LEU 5 HG LEU 5 -10.437 -1.651 -3.417 42 HD11 LEU 5 HD11 LEU 5 -11.287 -1.487 -5.694 43 HD12 LEU 5 HD12 LEU 5 -9.877 -0.536 -6.155 44 HD13 LEU 5 HD13 LEU 5 -11.025 0.102 -4.980 45 HD21 LEU 5 HD21 LEU 5 -8.381 -2.531 -5.446 46 HD22 LEU 5 HD22 LEU 5 -9.877 -3.385 -5.080 47 HD23 LEU 5 HD23 LEU 5 -8.632 -3.225 -3.844 48 H LEU 6 HN LEU 6 -8.319 1.087 -1.092 49 HA LEU 6 HA LEU 6 -6.077 2.623 -1.813 50 HB2 LEU 6 HB2 LEU 6 -8.062 3.053 0.431 51 HB3 LEU 6 HB1 LEU 6 -6.810 4.200 -0.001 52 HG LEU 6 HG LEU 6 -9.070 3.310 -1.792 53 HD11 LEU 6 HD11 LEU 6 -8.651 5.883 -0.277 54 HD12 LEU 6 HD12 LEU 6 -9.859 4.649 0.082 55 HD13 LEU 6 HD13 LEU 6 -9.950 5.560 -1.425 56 HD21 LEU 6 HD21 LEU 6 -7.085 3.939 -3.067 57 HD22 LEU 6 HD22 LEU 6 -6.958 5.440 -2.151 58 HD23 LEU 6 HD23 LEU 6 -8.334 5.174 -3.219 59 HA PRO 7 HA PRO 7 -4.192 1.516 2.601 60 HB2 PRO 7 HB2 PRO 7 -5.464 -1.161 2.867 61 HB3 PRO 7 HB1 PRO 7 -5.020 -0.009 4.134 62 HG2 PRO 7 HG2 PRO 7 -7.553 -0.379 3.403 63 HG3 PRO 7 HG1 PRO 7 -6.952 1.226 3.841 64 HD2 PRO 7 HD2 PRO 7 -7.595 0.108 1.167 65 HD3 PRO 7 HD1 PRO 7 -7.720 1.769 1.784 66 H ARG 8 HN ARG 8 -5.173 -0.984 0.312 67 HA ARG 8 HA ARG 8 -2.774 -2.483 0.426 68 HB2 ARG 8 HB2 ARG 8 -5.033 -2.442 -1.533 69 HB3 ARG 8 HB1 ARG 8 -3.617 -3.452 -1.774 70 HG2 ARG 8 HG2 ARG 8 -4.055 -4.635 0.280 71 HG3 ARG 8 HG1 ARG 8 -5.395 -3.547 0.647 72 HD2 ARG 8 HD2 ARG 8 -6.092 -5.749 -0.305 73 HD3 ARG 8 HD1 ARG 8 -6.657 -4.348 -1.215 74 HE ARG 8 HE ARG 8 -4.203 -5.245 -2.247 75 HH11 ARG 8 HH11 ARG 8 -7.538 -6.301 -2.082 76 HH12 ARG 8 HH12 ARG 8 -7.577 -7.020 -3.622 77 HH21 ARG 8 HH21 ARG 8 -4.192 -6.261 -4.373 78 HH22 ARG 8 HH22 ARG 8 -5.595 -7.009 -4.959 79 H ILE 9 HN ILE 9 -3.837 0.048 -1.864 80 HA ILE 9 HA ILE 9 -1.518 -0.311 -3.462 81 HB ILE 9 HB ILE 9 -3.543 0.776 -4.430 82 HG12 ILE 9 HG12 ILE 9 -2.437 2.668 -5.617 83 HG13 ILE 9 HG11 ILE 9 -1.096 2.549 -4.487 84 HG21 ILE 9 HG21 ILE 9 -4.106 3.096 -3.942 85 HG22 ILE 9 HG22 ILE 9 -2.863 3.126 -2.689 86 HG23 ILE 9 HG23 ILE 9 -4.258 2.064 -2.517 87 HD11 ILE 9 HD11 ILE 9 -0.588 0.319 -5.303 88 HD12 ILE 9 HD12 ILE 9 -0.604 1.486 -6.624 89 HD13 ILE 9 HD13 ILE 9 -1.969 0.393 -6.396 90 H LYS 10 HN LYS 10 -2.245 1.584 -0.661 91 HA LYS 10 HA LYS 10 0.152 3.080 -0.734 92 HB2 LYS 10 HB2 LYS 10 -1.734 2.462 1.536 93 HB3 LYS 10 HB1 LYS 10 -0.344 3.529 1.687 94 HG2 LYS 10 HG2 LYS 10 -2.645 3.946 -0.221 95 HG3 LYS 10 HG1 LYS 10 -2.455 4.757 1.333 96 HD2 LYS 10 HD2 LYS 10 -0.369 5.773 0.558 97 HD3 LYS 10 HD1 LYS 10 -0.519 4.943 -0.987 98 HE2 LYS 10 HE2 LYS 10 -2.595 6.153 -1.439 99 HE3 LYS 10 HE1 LYS 10 -2.462 6.976 0.111 100 HZ1 LYS 10 HZ1 LYS 10 -0.505 7.205 -2.128 101 HZ2 LYS 10 HZ2 LYS 10 -0.406 8.002 -0.648 102 HZ3 LYS 10 HZ3 LYS 10 -1.655 8.356 -1.702 103 H LYS 11 HN LYS 11 -0.637 -0.111 0.428 104 HA LYS 11 HA LYS 11 1.745 -0.546 1.907 105 HB2 LYS 11 HB2 LYS 11 0.011 -2.533 0.422 106 HB3 LYS 11 HB1 LYS 11 1.343 -2.986 1.465 107 HG2 LYS 11 HG2 LYS 11 -1.174 -1.561 2.303 108 HG3 LYS 11 HG1 LYS 11 -0.789 -3.259 2.584 109 HD2 LYS 11 HD2 LYS 11 1.188 -2.524 3.909 110 HD3 LYS 11 HD1 LYS 11 0.646 -0.857 3.713 111 HE2 LYS 11 HE2 LYS 11 -0.878 -3.082 5.048 112 HE3 LYS 11 HE1 LYS 11 -0.056 -1.760 5.868 113 HZ1 LYS 11 HZ1 LYS 11 -1.600 -0.216 4.733 114 HZ2 LYS 11 HZ2 LYS 11 -2.366 -1.310 5.740 115 HZ3 LYS 11 HZ3 LYS 11 -2.409 -1.558 4.074 116 H LYS 12 HN LYS 12 0.915 -0.957 -1.510 117 HA LYS 12 HA LYS 12 3.345 -2.089 -2.319 118 HB2 LYS 12 HB2 LYS 12 1.291 -0.472 -3.811 119 HB3 LYS 12 HB1 LYS 12 2.576 -1.422 -4.555 120 HG2 LYS 12 HG2 LYS 12 1.648 -3.460 -3.795 121 HG3 LYS 12 HG1 LYS 12 0.530 -2.631 -2.713 122 HD2 LYS 12 HD2 LYS 12 -0.585 -3.480 -4.716 123 HD3 LYS 12 HD1 LYS 12 -0.666 -1.725 -4.628 124 HE2 LYS 12 HE2 LYS 12 -0.199 -2.316 -6.832 125 HE3 LYS 12 HE1 LYS 12 1.267 -1.630 -6.166 126 HZ1 LYS 12 HZ1 LYS 12 2.124 -3.886 -5.816 127 HZ2 LYS 12 HZ2 LYS 12 1.792 -3.598 -7.443 128 HZ3 LYS 12 HZ3 LYS 12 0.741 -4.538 -6.528 129 H ILE 13 HN ILE 13 2.278 1.198 -1.873 130 HA ILE 13 HA ILE 13 4.579 2.406 -3.069 131 HB ILE 13 HB ILE 13 2.542 3.548 -1.128 132 HG12 ILE 13 HG12 ILE 13 1.525 2.899 -3.242 133 HG13 ILE 13 HG11 ILE 13 1.575 4.650 -3.102 134 HG21 ILE 13 HG21 ILE 13 3.325 5.772 -1.790 135 HG22 ILE 13 HG22 ILE 13 4.594 5.028 -2.762 136 HG23 ILE 13 HG23 ILE 13 4.603 4.835 -1.009 137 HD11 ILE 13 HD11 ILE 13 2.109 3.940 -5.355 138 HD12 ILE 13 HD12 ILE 13 3.430 2.942 -4.758 139 HD13 ILE 13 HD13 ILE 13 3.514 4.700 -4.609 140 H LEU 14 HN LEU 14 3.569 1.603 0.210 141 HA LEU 14 HA LEU 14 5.714 2.632 1.640 142 HB2 LEU 14 HB2 LEU 14 3.682 1.882 2.718 143 HB3 LEU 14 HB1 LEU 14 3.968 0.239 2.192 144 HG LEU 14 HG LEU 14 5.971 0.153 3.652 145 HD11 LEU 14 HD11 LEU 14 6.499 2.519 3.739 146 HD12 LEU 14 HD12 LEU 14 6.303 1.849 5.357 147 HD13 LEU 14 HD13 LEU 14 5.019 2.826 4.648 148 HD21 LEU 14 HD21 LEU 14 4.735 0.003 5.763 149 HD22 LEU 14 HD22 LEU 14 3.849 -0.729 4.425 150 HD23 LEU 14 HD23 LEU 14 3.384 0.862 5.024 151 H ALA 15 HN ALA 15 5.265 -0.644 0.332 152 HA ALA 15 HA ALA 15 7.705 -1.713 1.229 153 HB1 ALA 15 HB1 ALA 15 5.831 -3.077 0.440 154 HB2 ALA 15 HB2 ALA 15 7.335 -3.502 -0.374 155 HB3 ALA 15 HB3 ALA 15 6.124 -2.527 -1.209 156 H ALA 16 HN ALA 16 6.965 0.238 -1.506 157 HA ALA 16 HA ALA 16 9.442 -0.213 -2.879 158 HB1 ALA 16 HB1 ALA 16 8.716 1.679 -4.288 159 HB2 ALA 16 HB2 ALA 16 7.357 1.947 -3.195 160 HB3 ALA 16 HB3 ALA 16 7.461 0.452 -4.120 161 H ALA 17 HN ALA 17 8.103 2.252 -0.754 162 HA ALA 17 HA ALA 17 10.378 3.978 -0.876 163 HB1 ALA 17 HB1 ALA 17 9.255 5.242 0.856 164 HB2 ALA 17 HB2 ALA 17 8.125 3.915 1.119 165 HB3 ALA 17 HB3 ALA 17 8.109 4.797 -0.407 166 H PHE 18 HN PHE 18 9.358 1.383 1.186 167 HA PHE 18 HA PHE 18 11.485 1.842 3.078 168 HB2 PHE 18 HB2 PHE 18 9.217 1.022 3.796 169 HB3 PHE 18 HB1 PHE 18 9.510 -0.454 2.899 170 HD1 PHE 18 HD1 PHE 18 10.609 -2.259 3.918 171 HD2 PHE 18 HD2 PHE 18 10.761 1.590 5.722 172 HE1 PHE 18 HE1 PHE 18 11.621 -3.246 5.926 173 HE2 PHE 18 HE2 PHE 18 11.776 0.610 7.732 174 HZ PHE 18 HZ PHE 18 12.211 -1.808 7.837 175 H LYS 19 HN LYS 19 13.055 1.741 1.367 176 HA LYS 19 HA LYS 19 14.348 -0.776 1.279 177 HB2 LYS 19 HB2 LYS 19 12.719 -0.994 -0.624 178 HB3 LYS 19 HB1 LYS 19 13.429 0.440 -1.345 179 HG2 LYS 19 HG2 LYS 19 15.590 -0.724 -1.474 180 HG3 LYS 19 HG1 LYS 19 14.829 -2.174 -0.821 181 HD2 LYS 19 HD2 LYS 19 14.937 -2.437 -3.185 182 HD3 LYS 19 HD1 LYS 19 13.253 -2.109 -2.786 183 HE2 LYS 19 HE2 LYS 19 13.874 -0.856 -4.751 184 HE3 LYS 19 HE1 LYS 19 13.627 0.267 -3.422 185 HZ1 LYS 19 HZ1 LYS 19 15.619 0.777 -4.714 186 HZ2 LYS 19 HZ2 LYS 19 16.289 -0.721 -4.327 187 HZ3 LYS 19 HZ3 LYS 19 16.017 0.413 -3.128 Start of MODEL 3 1 H2 PRO 1 HT1 PRO 1 -15.000 7.083 -3.241 2 H3 PRO 1 HT2 PRO 1 -14.177 5.702 -3.372 3 HA PRO 1 HA PRO 1 -12.110 6.721 -2.630 4 HB2 PRO 1 HB2 PRO 1 -13.389 8.561 -0.899 5 HB3 PRO 1 HB1 PRO 1 -12.232 8.935 -2.182 6 HG2 PRO 1 HG2 PRO 1 -15.195 9.013 -2.238 7 HG3 PRO 1 HG1 PRO 1 -14.029 9.998 -3.132 8 HD2 PRO 1 HD2 PRO 1 -15.378 8.108 -4.427 9 HD3 PRO 1 HD1 PRO 1 -13.665 8.392 -4.728 10 H MET 2 HN MET 2 -11.716 6.386 -0.298 11 HA MET 2 HA MET 2 -11.829 5.101 1.522 12 HB2 MET 2 HB2 MET 2 -14.835 5.448 1.324 13 HB3 MET 2 HB1 MET 2 -13.948 4.851 2.719 14 HG2 MET 2 HG2 MET 2 -12.876 7.007 2.993 15 HG3 MET 2 HG1 MET 2 -13.690 7.601 1.549 16 HE1 MET 2 HE1 MET 2 -16.638 6.330 1.903 17 HE2 MET 2 HE2 MET 2 -16.305 7.977 1.370 18 HE3 MET 2 HE3 MET 2 -17.438 7.690 2.689 19 H ALA 3 HN ALA 3 -11.007 3.350 0.332 20 HA ALA 3 HA ALA 3 -12.905 1.147 -0.023 21 HB1 ALA 3 HB1 ALA 3 -11.699 0.517 -2.114 22 HB2 ALA 3 HB2 ALA 3 -10.866 2.072 -2.053 23 HB3 ALA 3 HB3 ALA 3 -12.616 2.009 -2.241 24 H LYS 4 HN LYS 4 -11.859 -0.938 0.072 25 HA LYS 4 HA LYS 4 -9.724 -1.094 1.961 26 HB2 LYS 4 HB2 LYS 4 -9.935 -3.535 1.593 27 HB3 LYS 4 HB1 LYS 4 -11.470 -2.752 1.957 28 HG2 LYS 4 HG2 LYS 4 -12.076 -2.776 -0.394 29 HG3 LYS 4 HG1 LYS 4 -10.518 -3.479 -0.805 30 HD2 LYS 4 HD2 LYS 4 -12.540 -4.787 0.999 31 HD3 LYS 4 HD1 LYS 4 -12.425 -5.061 -0.742 32 HE2 LYS 4 HE2 LYS 4 -10.122 -5.859 -0.451 33 HE3 LYS 4 HE1 LYS 4 -10.239 -5.596 1.283 34 HZ1 LYS 4 HZ1 LYS 4 -12.039 -7.215 1.347 35 HZ2 LYS 4 HZ2 LYS 4 -10.620 -7.907 0.734 36 HZ3 LYS 4 HZ3 LYS 4 -11.869 -7.485 -0.310 37 H LEU 5 HN LEU 5 -9.865 -0.932 -1.419 38 HA LEU 5 HA LEU 5 -7.411 -2.337 -1.933 39 HB2 LEU 5 HB2 LEU 5 -9.017 -0.543 -3.742 40 HB3 LEU 5 HB1 LEU 5 -7.729 -1.622 -4.240 41 HG LEU 5 HG LEU 5 -10.396 -2.458 -3.098 42 HD11 LEU 5 HD11 LEU 5 -9.276 -2.695 -5.872 43 HD12 LEU 5 HD12 LEU 5 -10.573 -1.618 -5.356 44 HD13 LEU 5 HD13 LEU 5 -10.809 -3.366 -5.319 45 HD21 LEU 5 HD21 LEU 5 -8.661 -4.024 -2.426 46 HD22 LEU 5 HD22 LEU 5 -8.083 -4.129 -4.085 47 HD23 LEU 5 HD23 LEU 5 -9.681 -4.748 -3.670 48 H LEU 6 HN LEU 6 -8.293 0.816 -1.035 49 HA LEU 6 HA LEU 6 -6.131 2.183 -2.236 50 HB2 LEU 6 HB2 LEU 6 -7.942 3.007 0.025 51 HB3 LEU 6 HB1 LEU 6 -6.752 4.059 -0.718 52 HG LEU 6 HG LEU 6 -9.051 2.793 -2.198 53 HD11 LEU 6 HD11 LEU 6 -9.856 4.410 -0.554 54 HD12 LEU 6 HD12 LEU 6 -10.047 5.012 -2.199 55 HD13 LEU 6 HD13 LEU 6 -8.730 5.607 -1.191 56 HD21 LEU 6 HD21 LEU 6 -7.062 4.907 -2.984 57 HD22 LEU 6 HD22 LEU 6 -8.488 4.452 -3.910 58 HD23 LEU 6 HD23 LEU 6 -7.202 3.277 -3.652 59 HA PRO 7 HA PRO 7 -3.900 1.718 2.092 60 HB2 PRO 7 HB2 PRO 7 -4.676 -0.696 3.287 61 HB3 PRO 7 HB1 PRO 7 -5.075 0.920 3.880 62 HG2 PRO 7 HG2 PRO 7 -6.696 -0.976 2.267 63 HG3 PRO 7 HG1 PRO 7 -7.213 0.162 3.523 64 HD2 PRO 7 HD2 PRO 7 -7.626 0.660 0.927 65 HD3 PRO 7 HD1 PRO 7 -7.214 1.958 2.067 66 H ARG 8 HN ARG 8 -5.055 -0.854 -0.001 67 HA ARG 8 HA ARG 8 -2.685 -2.434 0.184 68 HB2 ARG 8 HB2 ARG 8 -4.691 -2.382 -2.085 69 HB3 ARG 8 HB1 ARG 8 -3.470 -3.614 -1.832 70 HG2 ARG 8 HG2 ARG 8 -4.606 -4.095 0.382 71 HG3 ARG 8 HG1 ARG 8 -5.915 -3.059 -0.182 72 HD2 ARG 8 HD2 ARG 8 -6.508 -5.321 -0.716 73 HD3 ARG 8 HD1 ARG 8 -6.078 -4.510 -2.218 74 HE ARG 8 HE ARG 8 -3.842 -5.798 -1.048 75 HH11 ARG 8 HH11 ARG 8 -6.762 -6.530 -2.971 76 HH12 ARG 8 HH12 ARG 8 -6.079 -7.880 -3.722 77 HH21 ARG 8 HH21 ARG 8 -2.952 -7.741 -2.074 78 HH22 ARG 8 HH22 ARG 8 -3.906 -8.590 -3.198 79 H ILE 9 HN ILE 9 -3.750 0.184 -1.887 80 HA ILE 9 HA ILE 9 -1.508 0.182 -3.628 81 HB ILE 9 HB ILE 9 -3.306 2.503 -2.830 82 HG12 ILE 9 HG12 ILE 9 -3.398 0.708 -5.269 83 HG13 ILE 9 HG11 ILE 9 -4.526 0.661 -3.921 84 HG21 ILE 9 HG21 ILE 9 -1.192 3.322 -3.730 85 HG22 ILE 9 HG22 ILE 9 -2.503 3.624 -4.869 86 HG23 ILE 9 HG23 ILE 9 -1.382 2.292 -5.150 87 HD11 ILE 9 HD11 ILE 9 -4.141 2.956 -5.831 88 HD12 ILE 9 HD12 ILE 9 -5.268 2.929 -4.478 89 HD13 ILE 9 HD13 ILE 9 -5.487 1.817 -5.831 90 H LYS 10 HN LYS 10 -2.276 1.834 -0.632 91 HA LYS 10 HA LYS 10 0.081 3.343 -0.407 92 HB2 LYS 10 HB2 LYS 10 -1.746 2.302 1.755 93 HB3 LYS 10 HB1 LYS 10 -0.468 3.474 2.024 94 HG2 LYS 10 HG2 LYS 10 -1.580 5.015 0.460 95 HG3 LYS 10 HG1 LYS 10 -2.887 3.844 0.271 96 HD2 LYS 10 HD2 LYS 10 -3.396 4.001 2.641 97 HD3 LYS 10 HD1 LYS 10 -2.043 5.106 2.875 98 HE2 LYS 10 HE2 LYS 10 -3.133 6.702 1.332 99 HE3 LYS 10 HE1 LYS 10 -4.500 5.599 1.207 100 HZ1 LYS 10 HZ1 LYS 10 -4.884 7.372 2.833 101 HZ2 LYS 10 HZ2 LYS 10 -3.548 6.853 3.719 102 HZ3 LYS 10 HZ3 LYS 10 -4.893 5.848 3.557 103 H LYS 11 HN LYS 11 -0.679 0.074 0.621 104 HA LYS 11 HA LYS 11 1.710 -0.440 1.973 105 HB2 LYS 11 HB2 LYS 11 -0.209 -1.920 2.202 106 HB3 LYS 11 HB1 LYS 11 -0.130 -2.338 0.504 107 HG2 LYS 11 HG2 LYS 11 0.742 -4.124 1.964 108 HG3 LYS 11 HG1 LYS 11 1.953 -3.524 0.834 109 HD2 LYS 11 HD2 LYS 11 2.937 -3.872 3.039 110 HD3 LYS 11 HD1 LYS 11 2.937 -2.159 2.637 111 HE2 LYS 11 HE2 LYS 11 2.304 -2.478 4.946 112 HE3 LYS 11 HE1 LYS 11 0.926 -1.868 4.038 113 HZ1 LYS 11 HZ1 LYS 11 0.018 -4.098 3.975 114 HZ2 LYS 11 HZ2 LYS 11 0.334 -3.652 5.563 115 HZ3 LYS 11 HZ3 LYS 11 1.360 -4.715 4.780 116 H LYS 12 HN LYS 12 0.906 -0.697 -1.503 117 HA LYS 12 HA LYS 12 3.314 -1.876 -2.305 118 HB2 LYS 12 HB2 LYS 12 1.425 -0.014 -3.731 119 HB3 LYS 12 HB1 LYS 12 2.742 -0.888 -4.503 120 HG2 LYS 12 HG2 LYS 12 1.704 -2.974 -4.143 121 HG3 LYS 12 HG1 LYS 12 0.551 -2.280 -2.999 122 HD2 LYS 12 HD2 LYS 12 -0.485 -2.727 -5.174 123 HD3 LYS 12 HD1 LYS 12 -0.490 -1.011 -4.788 124 HE2 LYS 12 HE2 LYS 12 0.072 -1.208 -7.022 125 HE3 LYS 12 HE1 LYS 12 1.553 -0.768 -6.198 126 HZ1 LYS 12 HZ1 LYS 12 2.216 -3.139 -6.241 127 HZ2 LYS 12 HZ2 LYS 12 2.011 -2.517 -7.787 128 HZ3 LYS 12 HZ3 LYS 12 0.821 -3.500 -7.118 129 H ILE 13 HN ILE 13 2.295 1.456 -1.856 130 HA ILE 13 HA ILE 13 4.642 2.714 -2.758 131 HB ILE 13 HB ILE 13 2.675 3.674 -0.649 132 HG12 ILE 13 HG12 ILE 13 2.761 4.251 -3.621 133 HG13 ILE 13 HG11 ILE 13 1.637 3.146 -2.839 134 HG21 ILE 13 HG21 ILE 13 3.477 5.941 -1.202 135 HG22 ILE 13 HG22 ILE 13 4.683 5.239 -2.281 136 HG23 ILE 13 HG23 ILE 13 4.768 4.928 -0.548 137 HD11 ILE 13 HD11 ILE 13 1.811 6.115 -2.394 138 HD12 ILE 13 HD12 ILE 13 0.687 5.026 -1.587 139 HD13 ILE 13 HD13 ILE 13 0.580 5.268 -3.330 140 H LEU 14 HN LEU 14 3.638 1.601 0.428 141 HA LEU 14 HA LEU 14 5.877 2.484 1.876 142 HB2 LEU 14 HB2 LEU 14 3.758 1.804 2.910 143 HB3 LEU 14 HB1 LEU 14 4.038 0.151 2.412 144 HG LEU 14 HG LEU 14 6.020 0.071 3.890 145 HD11 LEU 14 HD11 LEU 14 6.584 2.425 3.945 146 HD12 LEU 14 HD12 LEU 14 6.327 1.811 5.576 147 HD13 LEU 14 HD13 LEU 14 5.079 2.783 4.796 148 HD21 LEU 14 HD21 LEU 14 3.435 0.843 5.234 149 HD22 LEU 14 HD22 LEU 14 4.765 -0.026 5.994 150 HD23 LEU 14 HD23 LEU 14 3.873 -0.768 4.666 151 H ALA 15 HN ALA 15 5.215 -0.575 0.236 152 HA ALA 15 HA ALA 15 7.662 -1.805 1.041 153 HB1 ALA 15 HB1 ALA 15 5.669 -3.117 0.483 154 HB2 ALA 15 HB2 ALA 15 7.052 -3.588 -0.502 155 HB3 ALA 15 HB3 ALA 15 5.783 -2.571 -1.189 156 H ALA 16 HN ALA 16 6.764 0.288 -1.550 157 HA ALA 16 HA ALA 16 9.159 -0.263 -3.072 158 HB1 ALA 16 HB1 ALA 16 8.397 1.519 -4.551 159 HB2 ALA 16 HB2 ALA 16 7.129 1.948 -3.400 160 HB3 ALA 16 HB3 ALA 16 7.084 0.387 -4.219 161 H ALA 17 HN ALA 17 8.107 1.910 -0.631 162 HA ALA 17 HA ALA 17 10.274 3.758 -0.944 163 HB1 ALA 17 HB1 ALA 17 8.391 3.368 1.386 164 HB2 ALA 17 HB2 ALA 17 8.127 4.458 0.026 165 HB3 ALA 17 HB3 ALA 17 9.464 4.746 1.139 166 H PHE 18 HN PHE 18 9.485 1.145 1.306 167 HA PHE 18 HA PHE 18 12.063 1.318 2.596 168 HB2 PHE 18 HB2 PHE 18 10.027 0.745 3.889 169 HB3 PHE 18 HB1 PHE 18 9.805 -0.687 2.898 170 HD1 PHE 18 HD1 PHE 18 11.167 -2.665 3.250 171 HD2 PHE 18 HD2 PHE 18 11.781 0.857 5.554 172 HE1 PHE 18 HE1 PHE 18 12.535 -3.951 4.839 173 HE2 PHE 18 HE2 PHE 18 13.145 -0.414 7.140 174 HZ PHE 18 HZ PHE 18 13.530 -2.820 6.793 175 H LYS 19 HN LYS 19 13.720 0.627 1.374 176 HA LYS 19 HA LYS 19 13.660 -2.074 0.379 177 HB2 LYS 19 HB2 LYS 19 14.519 -1.272 -1.894 178 HB3 LYS 19 HB1 LYS 19 12.811 -1.021 -1.570 179 HG2 LYS 19 HG2 LYS 19 13.286 1.315 -0.967 180 HG3 LYS 19 HG1 LYS 19 14.982 1.054 -1.364 181 HD2 LYS 19 HD2 LYS 19 14.381 0.594 -3.676 182 HD3 LYS 19 HD1 LYS 19 12.669 0.764 -3.276 183 HE2 LYS 19 HE2 LYS 19 14.776 2.918 -3.098 184 HE3 LYS 19 HE1 LYS 19 13.482 2.810 -4.290 185 HZ1 LYS 19 HZ1 LYS 19 12.823 4.358 -2.584 186 HZ2 LYS 19 HZ2 LYS 19 13.176 3.267 -1.370 187 HZ3 LYS 19 HZ3 LYS 19 11.886 2.965 -2.427 Start of MODEL 4 1 H2 PRO 1 HT1 PRO 1 -11.575 1.332 4.844 2 H3 PRO 1 HT2 PRO 1 -12.864 2.034 5.550 3 HA PRO 1 HA PRO 1 -12.254 4.216 4.769 4 HB2 PRO 1 HB2 PRO 1 -10.715 3.592 2.572 5 HB3 PRO 1 HB1 PRO 1 -10.082 4.312 4.062 6 HG2 PRO 1 HG2 PRO 1 -10.098 1.446 3.203 7 HG3 PRO 1 HG1 PRO 1 -8.826 2.356 4.040 8 HD2 PRO 1 HD2 PRO 1 -10.321 0.662 5.406 9 HD3 PRO 1 HD1 PRO 1 -9.858 2.207 6.075 10 H MET 2 HN MET 2 -13.021 4.759 2.474 11 HA MET 2 HA MET 2 -15.101 2.981 1.721 12 HB2 MET 2 HB2 MET 2 -14.003 5.483 0.438 13 HB3 MET 2 HB1 MET 2 -15.353 4.581 -0.232 14 HG2 MET 2 HG2 MET 2 -15.304 5.762 2.527 15 HG3 MET 2 HG1 MET 2 -16.001 6.558 1.121 16 HE1 MET 2 HE1 MET 2 -17.595 6.021 3.834 17 HE2 MET 2 HE2 MET 2 -19.150 5.466 3.213 18 HE3 MET 2 HE3 MET 2 -18.317 6.812 2.432 19 H ALA 3 HN ALA 3 -12.122 4.041 0.166 20 HA ALA 3 HA ALA 3 -12.344 1.900 -1.763 21 HB1 ALA 3 HB1 ALA 3 -10.310 2.865 -2.742 22 HB2 ALA 3 HB2 ALA 3 -10.199 4.000 -1.399 23 HB3 ALA 3 HB3 ALA 3 -11.551 4.100 -2.526 24 H LYS 4 HN LYS 4 -11.853 -0.027 -0.968 25 HA LYS 4 HA LYS 4 -10.029 -0.422 1.192 26 HB2 LYS 4 HB2 LYS 4 -11.181 -2.479 -0.695 27 HB3 LYS 4 HB1 LYS 4 -10.568 -2.752 0.936 28 HG2 LYS 4 HG2 LYS 4 -12.356 -1.383 1.856 29 HG3 LYS 4 HG1 LYS 4 -12.969 -1.076 0.237 30 HD2 LYS 4 HD2 LYS 4 -14.320 -2.742 1.143 31 HD3 LYS 4 HD1 LYS 4 -13.258 -3.560 0.011 32 HE2 LYS 4 HE2 LYS 4 -11.836 -4.344 1.792 33 HE3 LYS 4 HE1 LYS 4 -12.752 -3.417 2.980 34 HZ1 LYS 4 HZ1 LYS 4 -14.668 -4.801 2.541 35 HZ2 LYS 4 HZ2 LYS 4 -13.356 -5.760 2.980 36 HZ3 LYS 4 HZ3 LYS 4 -13.836 -5.670 1.371 37 H LEU 5 HN LEU 5 -9.722 0.049 -2.049 38 HA LEU 5 HA LEU 5 -7.340 -1.411 -2.603 39 HB2 LEU 5 HB2 LEU 5 -8.608 0.977 -3.951 40 HB3 LEU 5 HB1 LEU 5 -7.117 0.264 -4.507 41 HG LEU 5 HG LEU 5 -8.347 -1.845 -5.006 42 HD11 LEU 5 HD11 LEU 5 -10.194 -1.627 -3.429 43 HD12 LEU 5 HD12 LEU 5 -10.776 -1.847 -5.079 44 HD13 LEU 5 HD13 LEU 5 -10.809 -0.246 -4.338 45 HD21 LEU 5 HD21 LEU 5 -9.517 -0.984 -6.963 46 HD22 LEU 5 HD22 LEU 5 -7.953 -0.200 -6.730 47 HD23 LEU 5 HD23 LEU 5 -9.436 0.643 -6.289 48 H LEU 6 HN LEU 6 -8.106 1.599 -1.058 49 HA LEU 6 HA LEU 6 -5.722 2.978 -1.487 50 HB2 LEU 6 HB2 LEU 6 -7.809 4.043 -0.682 51 HB3 LEU 6 HB1 LEU 6 -7.641 3.276 0.865 52 HG LEU 6 HG LEU 6 -5.674 5.331 -0.194 53 HD11 LEU 6 HD11 LEU 6 -8.051 5.708 1.623 54 HD12 LEU 6 HD12 LEU 6 -7.900 6.307 -0.028 55 HD13 LEU 6 HD13 LEU 6 -6.845 6.935 1.237 56 HD21 LEU 6 HD21 LEU 6 -6.216 4.340 2.619 57 HD22 LEU 6 HD22 LEU 6 -5.049 5.582 2.165 58 HD23 LEU 6 HD23 LEU 6 -4.812 3.915 1.640 59 HA PRO 7 HA PRO 7 -3.900 1.126 2.630 60 HB2 PRO 7 HB2 PRO 7 -5.355 -1.446 2.820 61 HB3 PRO 7 HB1 PRO 7 -4.883 -0.333 4.108 62 HG2 PRO 7 HG2 PRO 7 -7.423 -0.560 3.345 63 HG3 PRO 7 HG1 PRO 7 -6.745 1.010 3.806 64 HD2 PRO 7 HD2 PRO 7 -7.296 -0.100 1.088 65 HD3 PRO 7 HD1 PRO 7 -7.549 1.542 1.714 66 H ARG 8 HN ARG 8 -5.148 -0.896 0.069 67 HA ARG 8 HA ARG 8 -3.001 -2.777 0.085 68 HB2 ARG 8 HB2 ARG 8 -5.020 -2.232 -2.089 69 HB3 ARG 8 HB1 ARG 8 -3.982 -3.648 -1.978 70 HG2 ARG 8 HG2 ARG 8 -5.081 -4.265 0.123 71 HG3 ARG 8 HG1 ARG 8 -6.150 -2.870 -0.040 72 HD2 ARG 8 HD2 ARG 8 -7.325 -4.800 -0.822 73 HD3 ARG 8 HD1 ARG 8 -6.907 -3.819 -2.226 74 HE ARG 8 HE ARG 8 -4.852 -5.610 -1.914 75 HH11 ARG 8 HH11 ARG 8 -8.333 -5.807 -2.587 76 HH12 ARG 8 HH12 ARG 8 -8.235 -7.325 -3.345 77 HH21 ARG 8 HH21 ARG 8 -4.731 -7.695 -2.928 78 HH22 ARG 8 HH22 ARG 8 -6.129 -8.441 -3.533 79 H ILE 9 HN ILE 9 -3.783 0.047 -1.934 80 HA ILE 9 HA ILE 9 -1.448 -0.297 -3.510 81 HB ILE 9 HB ILE 9 -1.809 1.997 -4.368 82 HG12 ILE 9 HG12 ILE 9 -4.139 2.077 -2.441 83 HG13 ILE 9 HG11 ILE 9 -2.678 3.048 -2.316 84 HG21 ILE 9 HG21 ILE 9 -2.927 0.180 -5.442 85 HG22 ILE 9 HG22 ILE 9 -3.981 1.596 -5.447 86 HG23 ILE 9 HG23 ILE 9 -4.275 0.278 -4.310 87 HD11 ILE 9 HD11 ILE 9 -4.539 4.340 -3.196 88 HD12 ILE 9 HD12 ILE 9 -4.716 3.197 -4.529 89 HD13 ILE 9 HD13 ILE 9 -3.258 4.182 -4.396 90 H LYS 10 HN LYS 10 -2.173 1.467 -0.573 91 HA LYS 10 HA LYS 10 0.282 2.855 -0.463 92 HB2 LYS 10 HB2 LYS 10 -1.671 3.453 0.972 93 HB3 LYS 10 HB1 LYS 10 -1.449 1.959 1.867 94 HG2 LYS 10 HG2 LYS 10 0.788 2.730 2.568 95 HG3 LYS 10 HG1 LYS 10 0.517 4.244 1.709 96 HD2 LYS 10 HD2 LYS 10 -1.427 4.690 3.175 97 HD3 LYS 10 HD1 LYS 10 -1.080 3.196 4.048 98 HE2 LYS 10 HE2 LYS 10 1.131 4.066 4.662 99 HE3 LYS 10 HE1 LYS 10 0.781 5.557 3.795 100 HZ1 LYS 10 HZ1 LYS 10 0.432 5.832 6.141 101 HZ2 LYS 10 HZ2 LYS 10 -0.663 4.554 6.193 102 HZ3 LYS 10 HZ3 LYS 10 -1.046 5.961 5.347 103 H LYS 11 HN LYS 11 -0.761 -0.312 0.520 104 HA LYS 11 HA LYS 11 1.407 -1.177 2.045 105 HB2 LYS 11 HB2 LYS 11 -0.749 -2.363 1.823 106 HB3 LYS 11 HB1 LYS 11 -0.368 -2.744 0.159 107 HG2 LYS 11 HG2 LYS 11 -0.046 -4.680 1.542 108 HG3 LYS 11 HG1 LYS 11 1.511 -4.126 0.931 109 HD2 LYS 11 HD2 LYS 11 2.004 -3.072 3.058 110 HD3 LYS 11 HD1 LYS 11 0.407 -3.511 3.670 111 HE2 LYS 11 HE2 LYS 11 0.949 -5.862 3.478 112 HE3 LYS 11 HE1 LYS 11 2.506 -5.458 2.758 113 HZ1 LYS 11 HZ1 LYS 11 3.121 -4.376 4.810 114 HZ2 LYS 11 HZ2 LYS 11 2.763 -5.997 5.079 115 HZ3 LYS 11 HZ3 LYS 11 1.657 -4.794 5.532 116 H LYS 12 HN LYS 12 0.916 -1.100 -1.415 117 HA LYS 12 HA LYS 12 3.349 -2.478 -2.079 118 HB2 LYS 12 HB2 LYS 12 1.550 -0.780 -3.817 119 HB3 LYS 12 HB1 LYS 12 2.781 -1.896 -4.385 120 HG2 LYS 12 HG2 LYS 12 1.534 -3.770 -3.471 121 HG3 LYS 12 HG1 LYS 12 0.322 -2.663 -2.828 122 HD2 LYS 12 HD2 LYS 12 -0.180 -1.923 -5.128 123 HD3 LYS 12 HD1 LYS 12 0.988 -3.099 -5.737 124 HE2 LYS 12 HE2 LYS 12 -0.315 -4.902 -4.702 125 HE3 LYS 12 HE1 LYS 12 -1.495 -3.721 -4.139 126 HZ1 LYS 12 HZ1 LYS 12 -1.952 -3.170 -6.474 127 HZ2 LYS 12 HZ2 LYS 12 -2.245 -4.793 -6.157 128 HZ3 LYS 12 HZ3 LYS 12 -0.851 -4.341 -6.971 129 H ILE 13 HN ILE 13 2.201 0.863 -2.401 130 HA ILE 13 HA ILE 13 4.568 1.956 -3.438 131 HB ILE 13 HB ILE 13 2.317 3.336 -1.934 132 HG12 ILE 13 HG12 ILE 13 2.795 3.043 -4.910 133 HG13 ILE 13 HG11 ILE 13 1.643 2.096 -3.980 134 HG21 ILE 13 HG21 ILE 13 4.325 4.737 -1.979 135 HG22 ILE 13 HG22 ILE 13 3.070 5.396 -3.033 136 HG23 ILE 13 HG23 ILE 13 4.435 4.526 -3.728 137 HD11 ILE 13 HD11 ILE 13 1.563 5.078 -4.388 138 HD12 ILE 13 HD12 ILE 13 0.394 4.133 -3.463 139 HD13 ILE 13 HD13 ILE 13 0.548 3.890 -5.204 140 H LEU 14 HN LEU 14 3.453 1.628 -0.099 141 HA LEU 14 HA LEU 14 5.486 3.188 1.095 142 HB2 LEU 14 HB2 LEU 14 3.395 2.644 2.242 143 HB3 LEU 14 HB1 LEU 14 3.820 0.948 2.241 144 HG LEU 14 HG LEU 14 5.745 1.483 3.729 145 HD11 LEU 14 HD11 LEU 14 4.475 4.215 3.842 146 HD12 LEU 14 HD12 LEU 14 6.041 3.820 3.133 147 HD13 LEU 14 HD13 LEU 14 5.791 3.637 4.866 148 HD21 LEU 14 HD21 LEU 14 3.632 0.645 4.618 149 HD22 LEU 14 HD22 LEU 14 3.019 2.295 4.741 150 HD23 LEU 14 HD23 LEU 14 4.381 1.782 5.735 151 H ALA 15 HN ALA 15 5.217 -0.221 0.277 152 HA ALA 15 HA ALA 15 7.537 -1.061 1.662 153 HB1 ALA 15 HB1 ALA 15 6.212 -2.317 -0.735 154 HB2 ALA 15 HB2 ALA 15 5.798 -2.619 0.953 155 HB3 ALA 15 HB3 ALA 15 7.379 -3.097 0.333 156 H ALA 16 HN ALA 16 6.957 0.103 -1.579 157 HA ALA 16 HA ALA 16 9.587 -0.328 -2.538 158 HB1 ALA 16 HB1 ALA 16 8.945 1.154 -4.380 159 HB2 ALA 16 HB2 ALA 16 7.502 1.635 -3.486 160 HB3 ALA 16 HB3 ALA 16 7.682 -0.029 -4.040 161 H ALA 17 HN ALA 17 8.044 2.246 -0.764 162 HA ALA 17 HA ALA 17 10.226 4.105 -1.061 163 HB1 ALA 17 HB1 ALA 17 7.919 4.902 -0.758 164 HB2 ALA 17 HB2 ALA 17 8.982 5.495 0.520 165 HB3 ALA 17 HB3 ALA 17 7.879 4.157 0.840 166 H PHE 18 HN PHE 18 9.290 1.609 1.119 167 HA PHE 18 HA PHE 18 11.081 2.376 3.206 168 HB2 PHE 18 HB2 PHE 18 8.956 1.166 3.657 169 HB3 PHE 18 HB1 PHE 18 9.573 -0.218 2.774 170 HD1 PHE 18 HD1 PHE 18 10.146 1.888 5.759 171 HD2 PHE 18 HD2 PHE 18 10.851 -1.850 3.871 172 HE1 PHE 18 HE1 PHE 18 11.059 0.999 7.867 173 HE2 PHE 18 HE2 PHE 18 11.773 -2.743 5.970 174 HZ PHE 18 HZ PHE 18 11.874 -1.315 7.972 175 H LYS 19 HN LYS 19 13.060 2.468 2.312 176 HA LYS 19 HA LYS 19 14.157 -0.026 1.257 177 HB2 LYS 19 HB2 LYS 19 15.112 2.817 0.792 178 HB3 LYS 19 HB1 LYS 19 15.841 1.369 0.113 179 HG2 LYS 19 HG2 LYS 19 13.735 0.937 -1.121 180 HG3 LYS 19 HG1 LYS 19 13.088 2.446 -0.481 181 HD2 LYS 19 HD2 LYS 19 14.908 3.679 -1.578 182 HD3 LYS 19 HD1 LYS 19 15.541 2.167 -2.222 183 HE2 LYS 19 HE2 LYS 19 12.841 3.378 -2.831 184 HE3 LYS 19 HE1 LYS 19 14.233 3.362 -3.906 185 HZ1 LYS 19 HZ1 LYS 19 12.720 1.623 -4.520 186 HZ2 LYS 19 HZ2 LYS 19 12.665 1.023 -2.976 187 HZ3 LYS 19 HZ3 LYS 19 14.092 0.889 -3.871 Start of MODEL 5 1 H2 PRO 1 HT1 PRO 1 -15.456 7.473 -0.098 2 H3 PRO 1 HT2 PRO 1 -15.015 8.170 1.331 3 HA PRO 1 HA PRO 1 -16.211 6.622 2.633 4 HB2 PRO 1 HB2 PRO 1 -16.227 4.430 0.924 5 HB3 PRO 1 HB1 PRO 1 -17.656 5.313 1.484 6 HG2 PRO 1 HG2 PRO 1 -16.130 5.616 -1.072 7 HG3 PRO 1 HG1 PRO 1 -17.877 5.722 -0.794 8 HD2 PRO 1 HD2 PRO 1 -16.496 7.934 -1.175 9 HD3 PRO 1 HD1 PRO 1 -17.762 7.848 0.041 10 H MET 2 HN MET 2 -14.845 4.992 3.546 11 HA MET 2 HA MET 2 -12.114 5.218 2.778 12 HB2 MET 2 HB2 MET 2 -13.500 3.515 4.842 13 HB3 MET 2 HB1 MET 2 -11.758 3.539 4.619 14 HG2 MET 2 HG2 MET 2 -13.451 5.917 5.321 15 HG3 MET 2 HG1 MET 2 -12.522 4.961 6.469 16 HE1 MET 2 HE1 MET 2 -9.850 4.839 6.463 17 HE2 MET 2 HE2 MET 2 -8.827 5.710 5.324 18 HE3 MET 2 HE3 MET 2 -9.827 4.374 4.759 19 H ALA 3 HN ALA 3 -11.342 4.241 1.110 20 HA ALA 3 HA ALA 3 -12.514 1.880 -0.024 21 HB1 ALA 3 HB1 ALA 3 -10.014 3.408 -0.740 22 HB2 ALA 3 HB2 ALA 3 -11.606 3.652 -1.447 23 HB3 ALA 3 HB3 ALA 3 -10.742 2.137 -1.719 24 H LYS 4 HN LYS 4 -11.595 -0.147 -0.083 25 HA LYS 4 HA LYS 4 -9.704 -0.693 2.050 26 HB2 LYS 4 HB2 LYS 4 -11.620 -2.411 0.516 27 HB3 LYS 4 HB1 LYS 4 -10.286 -3.155 1.377 28 HG2 LYS 4 HG2 LYS 4 -12.279 -3.214 2.738 29 HG3 LYS 4 HG1 LYS 4 -11.086 -2.142 3.463 30 HD2 LYS 4 HD2 LYS 4 -12.304 -0.212 2.502 31 HD3 LYS 4 HD1 LYS 4 -13.519 -1.325 1.880 32 HE2 LYS 4 HE2 LYS 4 -14.275 -0.338 3.965 33 HE3 LYS 4 HE1 LYS 4 -14.001 -2.067 4.157 34 HZ1 LYS 4 HZ1 LYS 4 -13.139 -0.780 6.023 35 HZ2 LYS 4 HZ2 LYS 4 -12.117 0.070 5.022 36 HZ3 LYS 4 HZ3 LYS 4 -11.890 -1.591 5.243 37 H LEU 5 HN LEU 5 -9.878 -0.732 -1.394 38 HA LEU 5 HA LEU 5 -7.394 -2.124 -1.563 39 HB2 LEU 5 HB2 LEU 5 -9.111 -0.860 -3.673 40 HB3 LEU 5 HB1 LEU 5 -7.493 -1.408 -4.048 41 HG LEU 5 HG LEU 5 -8.229 -3.688 -3.171 42 HD11 LEU 5 HD11 LEU 5 -10.591 -4.218 -3.265 43 HD12 LEU 5 HD12 LEU 5 -10.967 -2.519 -3.534 44 HD13 LEU 5 HD13 LEU 5 -10.241 -3.030 -2.008 45 HD21 LEU 5 HD21 LEU 5 -9.286 -4.293 -5.305 46 HD22 LEU 5 HD22 LEU 5 -7.854 -3.283 -5.504 47 HD23 LEU 5 HD23 LEU 5 -9.462 -2.575 -5.670 48 H LEU 6 HN LEU 6 -8.296 1.013 -0.996 49 HA LEU 6 HA LEU 6 -6.062 2.347 -2.061 50 HB2 LEU 6 HB2 LEU 6 -8.010 3.611 -1.416 51 HB3 LEU 6 HB1 LEU 6 -7.841 3.157 0.261 52 HG LEU 6 HG LEU 6 -5.685 4.438 0.305 53 HD11 LEU 6 HD11 LEU 6 -5.164 4.406 -2.064 54 HD12 LEU 6 HD12 LEU 6 -5.272 6.065 -1.474 55 HD13 LEU 6 HD13 LEU 6 -6.597 5.375 -2.410 56 HD21 LEU 6 HD21 LEU 6 -6.771 6.638 0.380 57 HD22 LEU 6 HD22 LEU 6 -7.745 5.396 1.170 58 HD23 LEU 6 HD23 LEU 6 -8.176 5.962 -0.444 59 HA PRO 7 HA PRO 7 -3.846 1.629 2.283 60 HB2 PRO 7 HB2 PRO 7 -5.220 -0.908 3.016 61 HB3 PRO 7 HB1 PRO 7 -4.593 0.374 4.065 62 HG2 PRO 7 HG2 PRO 7 -7.192 0.148 3.674 63 HG3 PRO 7 HG1 PRO 7 -6.429 1.750 3.678 64 HD2 PRO 7 HD2 PRO 7 -7.315 0.084 1.358 65 HD3 PRO 7 HD1 PRO 7 -7.496 1.828 1.636 66 H ARG 8 HN ARG 8 -5.060 -0.868 0.172 67 HA ARG 8 HA ARG 8 -2.775 -2.573 0.207 68 HB2 ARG 8 HB2 ARG 8 -4.819 -2.107 -1.964 69 HB3 ARG 8 HB1 ARG 8 -3.645 -3.412 -1.985 70 HG2 ARG 8 HG2 ARG 8 -5.846 -3.058 0.051 71 HG3 ARG 8 HG1 ARG 8 -5.957 -4.075 -1.379 72 HD2 ARG 8 HD2 ARG 8 -5.430 -5.555 0.356 73 HD3 ARG 8 HD1 ARG 8 -3.891 -5.274 -0.447 74 HE ARG 8 HE ARG 8 -4.509 -3.596 1.822 75 HH11 ARG 8 HH11 ARG 8 -2.741 -6.463 0.648 76 HH12 ARG 8 HH12 ARG 8 -1.798 -6.616 2.046 77 HH21 ARG 8 HH21 ARG 8 -3.177 -3.857 3.762 78 HH22 ARG 8 HH22 ARG 8 -2.047 -5.107 3.844 79 H ILE 9 HN ILE 9 -3.855 0.034 -1.965 80 HA ILE 9 HA ILE 9 -1.600 0.231 -3.642 81 HB ILE 9 HB ILE 9 -3.575 2.346 -2.724 82 HG12 ILE 9 HG12 ILE 9 -3.436 0.788 -5.318 83 HG13 ILE 9 HG11 ILE 9 -4.542 0.464 -3.989 84 HG21 ILE 9 HG21 ILE 9 -1.610 3.514 -3.448 85 HG22 ILE 9 HG22 ILE 9 -2.859 3.694 -4.685 86 HG23 ILE 9 HG23 ILE 9 -1.530 2.559 -4.924 87 HD11 ILE 9 HD11 ILE 9 -4.463 2.972 -5.651 88 HD12 ILE 9 HD12 ILE 9 -5.586 2.647 -4.331 89 HD13 ILE 9 HD13 ILE 9 -5.638 1.667 -5.796 90 H LYS 10 HN LYS 10 -2.402 1.673 -0.597 91 HA LYS 10 HA LYS 10 -0.250 3.404 -0.189 92 HB2 LYS 10 HB2 LYS 10 -2.347 3.293 1.162 93 HB3 LYS 10 HB1 LYS 10 -1.771 1.791 1.861 94 HG2 LYS 10 HG2 LYS 10 0.151 3.004 2.788 95 HG3 LYS 10 HG1 LYS 10 -0.543 4.517 2.189 96 HD2 LYS 10 HD2 LYS 10 -2.586 3.998 3.535 97 HD3 LYS 10 HD1 LYS 10 -1.722 2.618 4.214 98 HE2 LYS 10 HE2 LYS 10 -0.975 5.530 4.465 99 HE3 LYS 10 HE1 LYS 10 -1.595 4.488 5.731 100 HZ1 LYS 10 HZ1 LYS 10 0.456 3.163 5.576 101 HZ2 LYS 10 HZ2 LYS 10 0.764 4.772 5.935 102 HZ3 LYS 10 HZ3 LYS 10 1.050 4.217 4.384 103 H LYS 11 HN LYS 11 -0.608 -0.068 0.352 104 HA LYS 11 HA LYS 11 1.911 -0.292 1.668 105 HB2 LYS 11 HB2 LYS 11 0.106 -1.849 2.241 106 HB3 LYS 11 HB1 LYS 11 0.109 -2.472 0.596 107 HG2 LYS 11 HG2 LYS 11 2.409 -3.263 0.906 108 HG3 LYS 11 HG1 LYS 11 2.384 -2.659 2.558 109 HD2 LYS 11 HD2 LYS 11 0.638 -4.212 3.144 110 HD3 LYS 11 HD1 LYS 11 0.508 -4.752 1.467 111 HE2 LYS 11 HE2 LYS 11 1.819 -6.348 2.760 112 HE3 LYS 11 HE1 LYS 11 2.816 -5.553 1.552 113 HZ1 LYS 11 HZ1 LYS 11 2.734 -4.885 4.443 114 HZ2 LYS 11 HZ2 LYS 11 3.670 -4.082 3.307 115 HZ3 LYS 11 HZ3 LYS 11 3.986 -5.685 3.655 116 H LYS 12 HN LYS 12 0.710 -0.678 -1.589 117 HA LYS 12 HA LYS 12 2.817 -2.053 -2.807 118 HB2 LYS 12 HB2 LYS 12 1.226 0.248 -3.970 119 HB3 LYS 12 HB1 LYS 12 2.247 -0.832 -4.895 120 HG2 LYS 12 HG2 LYS 12 -0.249 -1.602 -3.397 121 HG3 LYS 12 HG1 LYS 12 -0.108 -1.385 -5.142 122 HD2 LYS 12 HD2 LYS 12 1.552 -3.215 -5.189 123 HD3 LYS 12 HD1 LYS 12 1.298 -3.457 -3.460 124 HE2 LYS 12 HE2 LYS 12 -1.111 -3.842 -3.939 125 HE3 LYS 12 HE1 LYS 12 -0.732 -3.762 -5.657 126 HZ1 LYS 12 HZ1 LYS 12 0.310 -5.740 -3.719 127 HZ2 LYS 12 HZ2 LYS 12 0.791 -5.663 -5.325 128 HZ3 LYS 12 HZ3 LYS 12 -0.814 -6.032 -4.932 129 H ILE 13 HN ILE 13 2.418 1.379 -2.272 130 HA ILE 13 HA ILE 13 5.065 1.938 -3.236 131 HB ILE 13 HB ILE 13 4.566 4.302 -2.677 132 HG12 ILE 13 HG12 ILE 13 1.866 3.216 -1.810 133 HG13 ILE 13 HG11 ILE 13 3.072 3.909 -0.737 134 HG21 ILE 13 HG21 ILE 13 4.036 3.418 -4.859 135 HG22 ILE 13 HG22 ILE 13 2.804 4.584 -4.370 136 HG23 ILE 13 HG23 ILE 13 2.469 2.854 -4.278 137 HD11 ILE 13 HD11 ILE 13 1.269 5.478 -1.224 138 HD12 ILE 13 HD12 ILE 13 1.635 5.372 -2.946 139 HD13 ILE 13 HD13 ILE 13 2.814 6.068 -1.834 140 H LEU 14 HN LEU 14 3.627 1.270 -0.212 141 HA LEU 14 HA LEU 14 5.576 2.441 1.504 142 HB2 LEU 14 HB2 LEU 14 3.312 1.695 2.244 143 HB3 LEU 14 HB1 LEU 14 3.818 0.052 1.935 144 HG LEU 14 HG LEU 14 5.484 0.206 3.718 145 HD11 LEU 14 HD11 LEU 14 5.440 2.077 5.287 146 HD12 LEU 14 HD12 LEU 14 4.286 2.921 4.261 147 HD13 LEU 14 HD13 LEU 14 5.920 2.603 3.675 148 HD21 LEU 14 HD21 LEU 14 2.665 0.909 4.508 149 HD22 LEU 14 HD22 LEU 14 3.874 0.215 5.585 150 HD23 LEU 14 HD23 LEU 14 3.296 -0.707 4.195 151 H ALA 15 HN ALA 15 5.163 -0.658 -0.069 152 HA ALA 15 HA ALA 15 7.337 -1.983 1.130 153 HB1 ALA 15 HB1 ALA 15 7.062 -3.628 -0.635 154 HB2 ALA 15 HB2 ALA 15 6.046 -2.500 -1.535 155 HB3 ALA 15 HB3 ALA 15 5.491 -3.143 0.008 156 H ALA 16 HN ALA 16 7.138 0.336 -1.345 157 HA ALA 16 HA ALA 16 9.770 -0.256 -2.393 158 HB1 ALA 16 HB1 ALA 16 7.859 1.970 -3.075 159 HB2 ALA 16 HB2 ALA 16 7.995 0.431 -3.922 160 HB3 ALA 16 HB3 ALA 16 9.340 1.572 -3.946 161 H ALA 17 HN ALA 17 8.153 2.507 -0.819 162 HA ALA 17 HA ALA 17 10.517 4.038 -0.517 163 HB1 ALA 17 HB1 ALA 17 9.176 5.532 0.838 164 HB2 ALA 17 HB2 ALA 17 7.909 4.309 0.963 165 HB3 ALA 17 HB3 ALA 17 8.287 5.033 -0.600 166 H PHE 18 HN PHE 18 8.928 1.741 1.589 167 HA PHE 18 HA PHE 18 10.955 2.250 3.656 168 HB2 PHE 18 HB2 PHE 18 8.499 2.575 4.248 169 HB3 PHE 18 HB1 PHE 18 8.247 0.882 3.896 170 HD1 PHE 18 HD1 PHE 18 9.342 -0.837 5.398 171 HD2 PHE 18 HD2 PHE 18 9.300 3.316 6.312 172 HE1 PHE 18 HE1 PHE 18 9.813 -1.354 7.746 173 HE2 PHE 18 HE2 PHE 18 9.786 2.806 8.662 174 HZ PHE 18 HZ PHE 18 10.043 0.467 9.387 175 H LYS 19 HN LYS 19 12.143 0.387 4.333 176 HA LYS 19 HA LYS 19 11.913 -1.818 2.421 177 HB2 LYS 19 HB2 LYS 19 14.309 -1.049 4.098 178 HB3 LYS 19 HB1 LYS 19 14.260 -2.291 2.858 179 HG2 LYS 19 HG2 LYS 19 13.986 0.681 2.444 180 HG3 LYS 19 HG1 LYS 19 15.372 -0.324 2.023 181 HD2 LYS 19 HD2 LYS 19 13.970 -1.543 0.405 182 HD3 LYS 19 HD1 LYS 19 12.600 -0.515 0.828 183 HE2 LYS 19 HE2 LYS 19 13.885 1.456 0.098 184 HE3 LYS 19 HE1 LYS 19 15.204 0.397 -0.391 185 HZ1 LYS 19 HZ1 LYS 19 13.913 0.929 -2.287 186 HZ2 LYS 19 HZ2 LYS 19 12.477 0.517 -1.509 187 HZ3 LYS 19 HZ3 LYS 19 13.575 -0.689 -1.916 Start of MODEL 6 1 H2 PRO 1 HT1 PRO 1 -17.842 4.078 4.909 2 H3 PRO 1 HT2 PRO 1 -16.817 4.504 3.531 3 HA PRO 1 HA PRO 1 -15.897 2.910 5.813 4 HB2 PRO 1 HB2 PRO 1 -16.267 1.408 3.353 5 HB3 PRO 1 HB1 PRO 1 -16.829 1.011 4.980 6 HG2 PRO 1 HG2 PRO 1 -18.529 1.757 3.008 7 HG3 PRO 1 HG1 PRO 1 -18.825 2.131 4.715 8 HD2 PRO 1 HD2 PRO 1 -17.756 3.832 2.532 9 HD3 PRO 1 HD1 PRO 1 -18.917 4.291 3.761 10 H MET 2 HN MET 2 -13.815 1.928 5.201 11 HA MET 2 HA MET 2 -12.431 3.705 3.462 12 HB2 MET 2 HB2 MET 2 -11.539 1.414 5.183 13 HB3 MET 2 HB1 MET 2 -10.438 2.349 4.182 14 HG2 MET 2 HG2 MET 2 -12.193 3.470 6.340 15 HG3 MET 2 HG1 MET 2 -10.482 3.104 6.514 16 HE1 MET 2 HE1 MET 2 -10.092 5.655 7.343 17 HE2 MET 2 HE2 MET 2 -11.816 5.965 7.144 18 HE3 MET 2 HE3 MET 2 -10.633 7.064 6.431 19 H ALA 3 HN ALA 3 -11.904 3.368 1.474 20 HA ALA 3 HA ALA 3 -12.796 1.100 0.023 21 HB1 ALA 3 HB1 ALA 3 -10.866 3.305 -0.735 22 HB2 ALA 3 HB2 ALA 3 -12.603 3.299 -1.036 23 HB3 ALA 3 HB3 ALA 3 -11.561 2.150 -1.868 24 H LYS 4 HN LYS 4 -11.863 -0.851 0.176 25 HA LYS 4 HA LYS 4 -9.544 -1.343 1.563 26 HB2 LYS 4 HB2 LYS 4 -11.166 -3.057 -0.273 27 HB3 LYS 4 HB1 LYS 4 -9.974 -3.641 0.889 28 HG2 LYS 4 HG2 LYS 4 -11.237 -2.836 2.727 29 HG3 LYS 4 HG1 LYS 4 -12.347 -1.969 1.669 30 HD2 LYS 4 HD2 LYS 4 -13.155 -4.037 0.771 31 HD3 LYS 4 HD1 LYS 4 -11.939 -4.910 1.709 32 HE2 LYS 4 HE2 LYS 4 -13.002 -4.124 3.790 33 HE3 LYS 4 HE1 LYS 4 -14.185 -3.230 2.843 34 HZ1 LYS 4 HZ1 LYS 4 -15.112 -5.265 3.635 35 HZ2 LYS 4 HZ2 LYS 4 -13.893 -6.185 2.938 36 HZ3 LYS 4 HZ3 LYS 4 -14.993 -5.346 1.960 37 H LEU 5 HN LEU 5 -9.909 -0.621 -1.790 38 HA LEU 5 HA LEU 5 -7.507 -1.911 -2.643 39 HB2 LEU 5 HB2 LEU 5 -9.079 0.339 -3.885 40 HB3 LEU 5 HB1 LEU 5 -7.692 -0.413 -4.642 41 HG LEU 5 HG LEU 5 -10.273 -1.831 -3.962 42 HD11 LEU 5 HD11 LEU 5 -10.648 -1.842 -6.370 43 HD12 LEU 5 HD12 LEU 5 -9.185 -0.883 -6.606 44 HD13 LEU 5 HD13 LEU 5 -10.562 -0.196 -5.743 45 HD21 LEU 5 HD21 LEU 5 -9.349 -3.622 -5.357 46 HD22 LEU 5 HD22 LEU 5 -8.379 -3.343 -3.918 47 HD23 LEU 5 HD23 LEU 5 -7.828 -2.736 -5.483 48 H LEU 6 HN LEU 6 -8.228 1.123 -1.168 49 HA LEU 6 HA LEU 6 -5.874 2.446 -1.991 50 HB2 LEU 6 HB2 LEU 6 -7.682 3.075 0.318 51 HB3 LEU 6 HB1 LEU 6 -6.383 4.111 -0.238 52 HG LEU 6 HG LEU 6 -8.858 3.357 -1.778 53 HD11 LEU 6 HD11 LEU 6 -7.971 5.938 -0.514 54 HD12 LEU 6 HD12 LEU 6 -9.318 4.916 -0.005 55 HD13 LEU 6 HD13 LEU 6 -9.377 5.749 -1.558 56 HD21 LEU 6 HD21 LEU 6 -8.062 4.976 -3.449 57 HD22 LEU 6 HD22 LEU 6 -6.970 3.609 -3.294 58 HD23 LEU 6 HD23 LEU 6 -6.552 5.157 -2.554 59 HA PRO 7 HA PRO 7 -3.940 1.204 2.310 60 HB2 PRO 7 HB2 PRO 7 -5.209 -1.447 2.671 61 HB3 PRO 7 HB1 PRO 7 -4.782 -0.237 3.884 62 HG2 PRO 7 HG2 PRO 7 -7.315 -0.630 3.195 63 HG3 PRO 7 HG1 PRO 7 -6.705 1.005 3.514 64 HD2 PRO 7 HD2 PRO 7 -7.231 -0.358 0.912 65 HD3 PRO 7 HD1 PRO 7 -7.574 1.312 1.392 66 H ARG 8 HN ARG 8 -4.975 -0.981 -0.201 67 HA ARG 8 HA ARG 8 -2.676 -2.670 -0.097 68 HB2 ARG 8 HB2 ARG 8 -4.524 -2.177 -2.439 69 HB3 ARG 8 HB1 ARG 8 -3.418 -3.531 -2.254 70 HG2 ARG 8 HG2 ARG 8 -4.702 -4.313 -0.329 71 HG3 ARG 8 HG1 ARG 8 -5.809 -2.952 -0.526 72 HD2 ARG 8 HD2 ARG 8 -6.842 -4.829 -1.537 73 HD3 ARG 8 HD1 ARG 8 -6.267 -3.794 -2.841 74 HE ARG 8 HE ARG 8 -4.534 -5.942 -1.976 75 HH11 ARG 8 HH11 ARG 8 -6.623 -4.639 -4.499 76 HH12 ARG 8 HH12 ARG 8 -6.394 -5.960 -5.561 77 HH21 ARG 8 HH21 ARG 8 -4.223 -7.741 -3.444 78 HH22 ARG 8 HH22 ARG 8 -4.992 -7.754 -4.954 79 H ILE 9 HN ILE 9 -3.653 0.111 -2.049 80 HA ILE 9 HA ILE 9 -1.284 0.323 -3.551 81 HB ILE 9 HB ILE 9 -3.217 2.526 -2.730 82 HG12 ILE 9 HG12 ILE 9 -3.064 0.898 -5.284 83 HG13 ILE 9 HG11 ILE 9 -4.256 0.680 -4.012 84 HG21 ILE 9 HG21 ILE 9 -1.125 2.522 -4.920 85 HG22 ILE 9 HG22 ILE 9 -1.072 3.471 -3.433 86 HG23 ILE 9 HG23 ILE 9 -2.314 3.795 -4.641 87 HD11 ILE 9 HD11 ILE 9 -5.123 2.927 -4.453 88 HD12 ILE 9 HD12 ILE 9 -5.185 1.904 -5.888 89 HD13 ILE 9 HD13 ILE 9 -3.926 3.130 -5.733 90 H LYS 10 HN LYS 10 -2.262 1.706 -0.455 91 HA LYS 10 HA LYS 10 0.082 3.218 -0.053 92 HB2 LYS 10 HB2 LYS 10 -1.930 2.194 1.943 93 HB3 LYS 10 HB1 LYS 10 -0.612 3.281 2.356 94 HG2 LYS 10 HG2 LYS 10 -1.509 4.939 0.768 95 HG3 LYS 10 HG1 LYS 10 -2.861 3.854 0.437 96 HD2 LYS 10 HD2 LYS 10 -3.529 3.959 2.782 97 HD3 LYS 10 HD1 LYS 10 -2.154 5.003 3.131 98 HE2 LYS 10 HE2 LYS 10 -4.177 6.327 2.925 99 HE3 LYS 10 HE1 LYS 10 -3.066 6.701 1.611 100 HZ1 LYS 10 HZ1 LYS 10 -5.402 4.899 1.428 101 HZ2 LYS 10 HZ2 LYS 10 -4.386 5.364 0.130 102 HZ3 LYS 10 HZ3 LYS 10 -5.357 6.495 0.907 103 H LYS 11 HN LYS 11 -0.719 -0.077 0.602 104 HA LYS 11 HA LYS 11 1.538 -0.710 2.207 105 HB2 LYS 11 HB2 LYS 11 -0.511 -2.023 2.234 106 HB3 LYS 11 HB1 LYS 11 -0.316 -2.420 0.540 107 HG2 LYS 11 HG2 LYS 11 1.634 -3.754 1.035 108 HG3 LYS 11 HG1 LYS 11 1.559 -3.283 2.732 109 HD2 LYS 11 HD2 LYS 11 -0.599 -4.801 1.261 110 HD3 LYS 11 HD1 LYS 11 0.615 -5.538 2.308 111 HE2 LYS 11 HE2 LYS 11 -0.231 -4.209 4.201 112 HE3 LYS 11 HE1 LYS 11 -1.452 -3.495 3.151 113 HZ1 LYS 11 HZ1 LYS 11 -2.417 -5.673 2.835 114 HZ2 LYS 11 HZ2 LYS 11 -2.338 -5.319 4.472 115 HZ3 LYS 11 HZ3 LYS 11 -1.230 -6.377 3.793 116 H LYS 12 HN LYS 12 0.778 -0.893 -1.228 117 HA LYS 12 HA LYS 12 3.157 -2.081 -2.081 118 HB2 LYS 12 HB2 LYS 12 1.244 -0.230 -3.497 119 HB3 LYS 12 HB1 LYS 12 2.615 -0.993 -4.288 120 HG2 LYS 12 HG2 LYS 12 1.700 -3.182 -3.896 121 HG3 LYS 12 HG1 LYS 12 0.400 -2.502 -2.916 122 HD2 LYS 12 HD2 LYS 12 -0.356 -3.092 -5.190 123 HD3 LYS 12 HD1 LYS 12 -0.510 -1.367 -4.870 124 HE2 LYS 12 HE2 LYS 12 1.543 -0.944 -6.105 125 HE3 LYS 12 HE1 LYS 12 1.749 -2.673 -6.372 126 HZ1 LYS 12 HZ1 LYS 12 0.785 -1.470 -8.276 127 HZ2 LYS 12 HZ2 LYS 12 -0.571 -1.087 -7.357 128 HZ3 LYS 12 HZ3 LYS 12 -0.214 -2.695 -7.722 129 H ILE 13 HN ILE 13 2.260 1.366 -1.975 130 HA ILE 13 HA ILE 13 4.791 2.244 -2.874 131 HB ILE 13 HB ILE 13 4.127 4.519 -2.221 132 HG12 ILE 13 HG12 ILE 13 1.707 3.186 -1.030 133 HG13 ILE 13 HG11 ILE 13 2.997 3.922 -0.094 134 HG21 ILE 13 HG21 ILE 13 2.112 4.703 -3.613 135 HG22 ILE 13 HG22 ILE 13 1.932 2.949 -3.554 136 HG23 ILE 13 HG23 ILE 13 3.343 3.665 -4.331 137 HD11 ILE 13 HD11 ILE 13 2.423 6.111 -1.073 138 HD12 ILE 13 HD12 ILE 13 1.076 5.394 -0.187 139 HD13 ILE 13 HD13 ILE 13 1.099 5.345 -1.953 140 H LEU 14 HN LEU 14 3.597 1.558 0.351 141 HA LEU 14 HA LEU 14 5.660 2.859 1.778 142 HB2 LEU 14 HB2 LEU 14 3.578 2.078 2.834 143 HB3 LEU 14 HB1 LEU 14 4.049 0.418 2.543 144 HG LEU 14 HG LEU 14 6.009 0.771 4.042 145 HD11 LEU 14 HD11 LEU 14 5.986 2.689 5.569 146 HD12 LEU 14 HD12 LEU 14 4.649 3.388 4.655 147 HD13 LEU 14 HD13 LEU 14 6.222 3.174 3.889 148 HD21 LEU 14 HD21 LEU 14 3.287 1.245 5.257 149 HD22 LEU 14 HD22 LEU 14 4.712 0.678 6.125 150 HD23 LEU 14 HD23 LEU 14 3.996 -0.319 4.858 151 H ALA 15 HN ALA 15 5.276 -0.400 0.540 152 HA ALA 15 HA ALA 15 7.766 -1.348 1.547 153 HB1 ALA 15 HB1 ALA 15 5.901 -2.856 1.130 154 HB2 ALA 15 HB2 ALA 15 7.310 -3.330 0.175 155 HB3 ALA 15 HB3 ALA 15 5.971 -2.475 -0.587 156 H ALA 16 HN ALA 16 6.663 -0.022 -1.516 157 HA ALA 16 HA ALA 16 8.990 -0.583 -3.009 158 HB1 ALA 16 HB1 ALA 16 6.989 1.637 -3.421 159 HB2 ALA 16 HB2 ALA 16 6.844 -0.003 -4.052 160 HB3 ALA 16 HB3 ALA 16 8.145 1.048 -4.615 161 H ALA 17 HN ALA 17 8.023 2.219 -1.081 162 HA ALA 17 HA ALA 17 10.375 3.714 -1.723 163 HB1 ALA 17 HB1 ALA 17 9.578 5.270 -0.008 164 HB2 ALA 17 HB2 ALA 17 8.335 4.109 0.459 165 HB3 ALA 17 HB3 ALA 17 8.311 4.834 -1.150 166 H PHE 18 HN PHE 18 9.743 1.163 0.366 167 HA PHE 18 HA PHE 18 11.723 1.868 2.337 168 HB2 PHE 18 HB2 PHE 18 9.647 0.492 2.850 169 HB3 PHE 18 HB1 PHE 18 10.355 -0.802 1.897 170 HD1 PHE 18 HD1 PHE 18 10.583 1.124 4.995 171 HD2 PHE 18 HD2 PHE 18 12.174 -2.135 2.770 172 HE1 PHE 18 HE1 PHE 18 11.740 0.320 7.007 173 HE2 PHE 18 HE2 PHE 18 13.332 -2.940 4.779 174 HZ PHE 18 HZ PHE 18 13.110 -1.711 6.904 175 H LYS 19 HN LYS 19 13.679 1.975 1.444 176 HA LYS 19 HA LYS 19 14.669 -0.386 0.080 177 HB2 LYS 19 HB2 LYS 19 14.139 1.337 -1.603 178 HB3 LYS 19 HB1 LYS 19 15.144 2.490 -0.742 179 HG2 LYS 19 HG2 LYS 19 17.123 1.236 -1.260 180 HG3 LYS 19 HG1 LYS 19 16.159 -0.065 -1.958 181 HD2 LYS 19 HD2 LYS 19 15.349 1.463 -3.694 182 HD3 LYS 19 HD1 LYS 19 16.308 2.766 -2.993 183 HE2 LYS 19 HE2 LYS 19 17.384 1.730 -4.956 184 HE3 LYS 19 HE1 LYS 19 18.357 1.587 -3.496 185 HZ1 LYS 19 HZ1 LYS 19 18.265 -0.472 -4.830 186 HZ2 LYS 19 HZ2 LYS 19 16.612 -0.601 -4.548 187 HZ3 LYS 19 HZ3 LYS 19 17.694 -0.694 -3.273 Start of MODEL 7 1 H2 PRO 1 HT1 PRO 1 -17.762 0.725 -6.483 2 H3 PRO 1 HT2 PRO 1 -16.844 -0.556 -5.705 3 HA PRO 1 HA PRO 1 -16.059 2.273 -5.835 4 HB2 PRO 1 HB2 PRO 1 -16.849 1.305 -3.202 5 HB3 PRO 1 HB1 PRO 1 -17.315 2.796 -4.035 6 HG2 PRO 1 HG2 PRO 1 -19.038 0.728 -3.683 7 HG3 PRO 1 HG1 PRO 1 -19.114 1.812 -5.080 8 HD2 PRO 1 HD2 PRO 1 -18.044 -0.938 -4.840 9 HD3 PRO 1 HD1 PRO 1 -18.930 -0.249 -6.182 10 H MET 2 HN MET 2 -13.900 2.131 -5.800 11 HA MET 2 HA MET 2 -12.527 -0.100 -4.655 12 HB2 MET 2 HB2 MET 2 -11.463 2.537 -5.687 13 HB3 MET 2 HB1 MET 2 -10.458 1.195 -5.168 14 HG2 MET 2 HG2 MET 2 -11.381 -0.188 -6.948 15 HG3 MET 2 HG1 MET 2 -12.407 1.154 -7.458 16 HE1 MET 2 HE1 MET 2 -11.479 0.912 -9.934 17 HE2 MET 2 HE2 MET 2 -10.457 -0.426 -9.412 18 HE3 MET 2 HE3 MET 2 -9.761 0.900 -10.339 19 H ALA 3 HN ALA 3 -12.945 -0.208 -2.551 20 HA ALA 3 HA ALA 3 -12.027 2.041 -0.897 21 HB1 ALA 3 HB1 ALA 3 -14.415 1.583 -0.638 22 HB2 ALA 3 HB2 ALA 3 -13.527 1.250 0.852 23 HB3 ALA 3 HB3 ALA 3 -14.045 -0.080 -0.180 24 H LYS 4 HN LYS 4 -11.924 -1.434 -1.387 25 HA LYS 4 HA LYS 4 -10.293 -1.880 0.939 26 HB2 LYS 4 HB2 LYS 4 -11.190 -3.702 -1.293 27 HB3 LYS 4 HB1 LYS 4 -10.065 -4.229 -0.059 28 HG2 LYS 4 HG2 LYS 4 -12.284 -5.017 0.467 29 HG3 LYS 4 HG1 LYS 4 -11.797 -3.820 1.658 30 HD2 LYS 4 HD2 LYS 4 -13.172 -2.141 0.551 31 HD3 LYS 4 HD1 LYS 4 -13.606 -3.300 -0.706 32 HE2 LYS 4 HE2 LYS 4 -14.707 -4.704 0.943 33 HE3 LYS 4 HE1 LYS 4 -14.222 -3.602 2.228 34 HZ1 LYS 4 HZ1 LYS 4 -15.584 -1.895 1.268 35 HZ2 LYS 4 HZ2 LYS 4 -16.524 -3.263 1.523 36 HZ3 LYS 4 HZ3 LYS 4 -16.013 -2.878 -0.034 37 H LEU 5 HN LEU 5 -9.787 -1.209 -2.379 38 HA LEU 5 HA LEU 5 -7.081 -2.151 -2.475 39 HB2 LEU 5 HB2 LEU 5 -8.595 -0.304 -4.323 40 HB3 LEU 5 HB1 LEU 5 -6.927 -0.750 -4.582 41 HG LEU 5 HG LEU 5 -7.685 -3.145 -4.768 42 HD11 LEU 5 HD11 LEU 5 -9.809 -2.979 -3.610 43 HD12 LEU 5 HD12 LEU 5 -10.014 -3.587 -5.253 44 HD13 LEU 5 HD13 LEU 5 -10.423 -1.912 -4.876 45 HD21 LEU 5 HD21 LEU 5 -7.172 -1.813 -6.724 46 HD22 LEU 5 HD22 LEU 5 -8.815 -1.172 -6.739 47 HD23 LEU 5 HD23 LEU 5 -8.536 -2.885 -7.044 48 H LEU 6 HN LEU 6 -8.567 0.578 -1.206 49 HA LEU 6 HA LEU 6 -6.632 2.528 -1.732 50 HB2 LEU 6 HB2 LEU 6 -8.650 2.455 0.513 51 HB3 LEU 6 HB1 LEU 6 -7.681 3.844 0.063 52 HG LEU 6 HG LEU 6 -9.698 2.503 -1.731 53 HD11 LEU 6 HD11 LEU 6 -11.086 4.440 -1.327 54 HD12 LEU 6 HD12 LEU 6 -9.901 5.083 -0.196 55 HD13 LEU 6 HD13 LEU 6 -10.755 3.585 0.176 56 HD21 LEU 6 HD21 LEU 6 -7.922 3.599 -2.988 57 HD22 LEU 6 HD22 LEU 6 -8.139 5.068 -2.039 58 HD23 LEU 6 HD23 LEU 6 -9.423 4.514 -3.110 59 HA PRO 7 HA PRO 7 -4.434 1.572 2.420 60 HB2 PRO 7 HB2 PRO 7 -5.240 -1.195 3.069 61 HB3 PRO 7 HB1 PRO 7 -5.114 0.203 4.140 62 HG2 PRO 7 HG2 PRO 7 -7.497 -0.802 3.461 63 HG3 PRO 7 HG1 PRO 7 -7.252 0.945 3.637 64 HD2 PRO 7 HD2 PRO 7 -7.347 -0.706 1.139 65 HD3 PRO 7 HD1 PRO 7 -8.119 0.855 1.482 66 H ARG 8 HN ARG 8 -5.271 -1.042 0.255 67 HA ARG 8 HA ARG 8 -2.878 -2.515 0.409 68 HB2 ARG 8 HB2 ARG 8 -4.836 -2.389 -1.878 69 HB3 ARG 8 HB1 ARG 8 -3.581 -3.600 -1.677 70 HG2 ARG 8 HG2 ARG 8 -4.677 -4.269 0.465 71 HG3 ARG 8 HG1 ARG 8 -5.983 -3.157 0.072 72 HD2 ARG 8 HD2 ARG 8 -6.568 -5.425 -0.589 73 HD3 ARG 8 HD1 ARG 8 -6.407 -4.388 -2.005 74 HE ARG 8 HE ARG 8 -3.945 -5.482 -1.748 75 HH11 ARG 8 HH11 ARG 8 -7.172 -6.921 -1.970 76 HH12 ARG 8 HH12 ARG 8 -6.615 -8.334 -2.745 77 HH21 ARG 8 HH21 ARG 8 -3.200 -7.408 -2.744 78 HH22 ARG 8 HH22 ARG 8 -4.317 -8.628 -3.182 79 H ILE 9 HN ILE 9 -3.900 -0.023 -1.912 80 HA ILE 9 HA ILE 9 -1.565 -0.200 -3.468 81 HB ILE 9 HB ILE 9 -3.579 0.882 -4.377 82 HG12 ILE 9 HG12 ILE 9 -1.253 2.820 -4.234 83 HG13 ILE 9 HG11 ILE 9 -1.404 1.473 -5.354 84 HG21 ILE 9 HG21 ILE 9 -4.260 3.136 -3.701 85 HG22 ILE 9 HG22 ILE 9 -3.063 3.099 -2.406 86 HG23 ILE 9 HG23 ILE 9 -4.418 1.971 -2.385 87 HD11 ILE 9 HD11 ILE 9 -1.929 3.599 -6.420 88 HD12 ILE 9 HD12 ILE 9 -3.217 3.876 -5.245 89 HD13 ILE 9 HD13 ILE 9 -3.336 2.539 -6.387 90 H LYS 10 HN LYS 10 -2.293 1.620 -0.588 91 HA LYS 10 HA LYS 10 0.015 3.260 -0.657 92 HB2 LYS 10 HB2 LYS 10 -1.737 2.444 1.655 93 HB3 LYS 10 HB1 LYS 10 -0.445 3.633 1.765 94 HG2 LYS 10 HG2 LYS 10 -1.591 5.030 0.126 95 HG3 LYS 10 HG1 LYS 10 -2.885 3.834 0.019 96 HD2 LYS 10 HD2 LYS 10 -3.387 4.151 2.381 97 HD3 LYS 10 HD1 LYS 10 -2.071 5.316 2.517 98 HE2 LYS 10 HE2 LYS 10 -4.218 6.435 2.315 99 HE3 LYS 10 HE1 LYS 10 -3.191 6.779 0.926 100 HZ1 LYS 10 HZ1 LYS 10 -4.441 5.197 -0.381 101 HZ2 LYS 10 HZ2 LYS 10 -5.528 6.276 0.325 102 HZ3 LYS 10 HZ3 LYS 10 -5.336 4.728 0.963 103 H LYS 11 HN LYS 11 -0.650 0.080 0.628 104 HA LYS 11 HA LYS 11 1.758 -0.263 2.046 105 HB2 LYS 11 HB2 LYS 11 0.054 -2.332 0.662 106 HB3 LYS 11 HB1 LYS 11 1.390 -2.707 1.732 107 HG2 LYS 11 HG2 LYS 11 0.208 -1.604 3.570 108 HG3 LYS 11 HG1 LYS 11 -1.142 -1.268 2.482 109 HD2 LYS 11 HD2 LYS 11 -1.416 -3.671 2.092 110 HD3 LYS 11 HD1 LYS 11 -0.084 -3.999 3.196 111 HE2 LYS 11 HE2 LYS 11 -2.677 -2.639 3.915 112 HE3 LYS 11 HE1 LYS 11 -2.260 -4.315 4.260 113 HZ1 LYS 11 HZ1 LYS 11 -0.464 -3.557 5.676 114 HZ2 LYS 11 HZ2 LYS 11 -1.916 -2.842 6.174 115 HZ3 LYS 11 HZ3 LYS 11 -0.802 -1.955 5.305 116 H LYS 12 HN LYS 12 0.972 -0.505 -1.318 117 HA LYS 12 HA LYS 12 3.357 -1.892 -2.118 118 HB2 LYS 12 HB2 LYS 12 1.646 -0.110 -3.849 119 HB3 LYS 12 HB1 LYS 12 2.699 -1.411 -4.383 120 HG2 LYS 12 HG2 LYS 12 0.120 -1.679 -2.852 121 HG3 LYS 12 HG1 LYS 12 0.393 -2.085 -4.545 122 HD2 LYS 12 HD2 LYS 12 1.934 -3.847 -3.885 123 HD3 LYS 12 HD1 LYS 12 1.729 -3.409 -2.186 124 HE2 LYS 12 HE2 LYS 12 -0.659 -3.932 -2.347 125 HE3 LYS 12 HE1 LYS 12 -0.429 -4.378 -4.037 126 HZ1 LYS 12 HZ1 LYS 12 -0.479 -6.298 -2.615 127 HZ2 LYS 12 HZ2 LYS 12 0.819 -5.714 -1.708 128 HZ3 LYS 12 HZ3 LYS 12 1.045 -6.133 -3.335 129 H ILE 13 HN ILE 13 2.309 1.432 -1.906 130 HA ILE 13 HA ILE 13 4.578 2.672 -3.059 131 HB ILE 13 HB ILE 13 2.672 3.777 -0.960 132 HG12 ILE 13 HG12 ILE 13 2.525 4.034 -3.974 133 HG13 ILE 13 HG11 ILE 13 1.540 2.933 -3.020 134 HG21 ILE 13 HG21 ILE 13 3.325 5.986 -1.832 135 HG22 ILE 13 HG22 ILE 13 4.476 5.211 -2.921 136 HG23 ILE 13 HG23 ILE 13 4.710 5.110 -1.176 137 HD11 ILE 13 HD11 ILE 13 0.530 4.846 -1.875 138 HD12 ILE 13 HD12 ILE 13 0.306 4.937 -3.621 139 HD13 ILE 13 HD13 ILE 13 1.531 5.933 -2.835 140 H LEU 14 HN LEU 14 3.626 1.885 0.240 141 HA LEU 14 HA LEU 14 5.914 2.813 1.547 142 HB2 LEU 14 HB2 LEU 14 3.847 2.261 2.719 143 HB3 LEU 14 HB1 LEU 14 4.025 0.577 2.284 144 HG LEU 14 HG LEU 14 6.043 0.431 3.699 145 HD11 LEU 14 HD11 LEU 14 5.363 3.265 4.470 146 HD12 LEU 14 HD12 LEU 14 6.795 2.739 3.579 147 HD13 LEU 14 HD13 LEU 14 6.567 2.244 5.255 148 HD21 LEU 14 HD21 LEU 14 4.889 0.563 5.846 149 HD22 LEU 14 HD22 LEU 14 3.862 -0.159 4.609 150 HD23 LEU 14 HD23 LEU 14 3.605 1.514 5.101 151 H ALA 15 HN ALA 15 5.116 -0.351 0.157 152 HA ALA 15 HA ALA 15 7.473 -1.679 0.946 153 HB1 ALA 15 HB1 ALA 15 5.436 -2.866 0.280 154 HB2 ALA 15 HB2 ALA 15 6.833 -3.401 -0.658 155 HB3 ALA 15 HB3 ALA 15 5.657 -2.306 -1.378 156 H ALA 16 HN ALA 16 6.930 0.605 -1.509 157 HA ALA 16 HA ALA 16 9.120 -0.179 -3.168 158 HB1 ALA 16 HB1 ALA 16 8.815 1.994 -4.256 159 HB2 ALA 16 HB2 ALA 16 7.713 2.484 -2.970 160 HB3 ALA 16 HB3 ALA 16 7.269 1.169 -4.054 161 H ALA 17 HN ALA 17 8.629 2.173 -0.591 162 HA ALA 17 HA ALA 17 11.385 3.081 -0.711 163 HB1 ALA 17 HB1 ALA 17 10.759 4.486 1.190 164 HB2 ALA 17 HB2 ALA 17 9.195 3.675 1.278 165 HB3 ALA 17 HB3 ALA 17 9.604 4.655 -0.129 166 H PHE 18 HN PHE 18 9.323 1.292 1.503 167 HA PHE 18 HA PHE 18 11.575 0.551 3.151 168 HB2 PHE 18 HB2 PHE 18 9.665 1.230 4.404 169 HB3 PHE 18 HB1 PHE 18 8.580 0.272 3.408 170 HD1 PHE 18 HD1 PHE 18 7.801 -1.694 4.269 171 HD2 PHE 18 HD2 PHE 18 11.529 -0.197 5.641 172 HE1 PHE 18 HE1 PHE 18 7.955 -3.558 5.852 173 HE2 PHE 18 HE2 PHE 18 11.691 -2.058 7.233 174 HZ PHE 18 HZ PHE 18 9.903 -3.744 7.338 175 H LYS 19 HN LYS 19 12.553 -1.294 2.904 176 HA LYS 19 HA LYS 19 11.464 -3.219 1.007 177 HB2 LYS 19 HB2 LYS 19 14.240 -3.011 2.197 178 HB3 LYS 19 HB1 LYS 19 13.742 -4.073 0.893 179 HG2 LYS 19 HG2 LYS 19 13.828 -1.061 0.767 180 HG3 LYS 19 HG1 LYS 19 15.031 -2.146 0.083 181 HD2 LYS 19 HD2 LYS 19 13.214 -3.121 -1.341 182 HD3 LYS 19 HD1 LYS 19 12.141 -1.859 -0.734 183 HE2 LYS 19 HE2 LYS 19 14.732 -1.392 -2.217 184 HE3 LYS 19 HE1 LYS 19 13.124 -1.286 -2.924 185 HZ1 LYS 19 HZ1 LYS 19 14.076 0.426 -0.685 186 HZ2 LYS 19 HZ2 LYS 19 12.634 0.613 -1.581 187 HZ3 LYS 19 HZ3 LYS 19 14.128 0.854 -2.301 Start of MODEL 8 1 H2 PRO 1 HT1 PRO 1 -17.543 5.630 2.968 2 H3 PRO 1 HT2 PRO 1 -17.013 4.903 1.469 3 HA PRO 1 HA PRO 1 -15.692 4.695 4.094 4 HB2 PRO 1 HB2 PRO 1 -16.214 2.162 3.178 5 HB3 PRO 1 HB1 PRO 1 -17.226 3.031 4.341 6 HG2 PRO 1 HG2 PRO 1 -17.582 2.732 1.387 7 HG3 PRO 1 HG1 PRO 1 -18.806 2.698 2.670 8 HD2 PRO 1 HD2 PRO 1 -18.525 4.851 1.153 9 HD3 PRO 1 HD1 PRO 1 -18.877 4.968 2.866 10 H MET 2 HN MET 2 -13.704 3.715 3.995 11 HA MET 2 HA MET 2 -12.319 3.985 1.492 12 HB2 MET 2 HB2 MET 2 -11.359 3.043 4.195 13 HB3 MET 2 HB1 MET 2 -10.330 3.372 2.811 14 HG2 MET 2 HG2 MET 2 -11.007 5.730 2.889 15 HG3 MET 2 HG1 MET 2 -12.007 5.382 4.297 16 HE1 MET 2 HE1 MET 2 -9.335 4.409 6.998 17 HE2 MET 2 HE2 MET 2 -10.165 3.297 5.917 18 HE3 MET 2 HE3 MET 2 -11.051 4.632 6.657 19 H ALA 3 HN ALA 3 -12.148 2.400 0.106 20 HA ALA 3 HA ALA 3 -12.827 -0.296 0.800 21 HB1 ALA 3 HB1 ALA 3 -11.704 0.890 -1.747 22 HB2 ALA 3 HB2 ALA 3 -13.410 0.607 -1.405 23 HB3 ALA 3 HB3 ALA 3 -12.306 -0.755 -1.569 24 H LYS 4 HN LYS 4 -11.314 -2.076 0.759 25 HA LYS 4 HA LYS 4 -8.938 -1.645 2.107 26 HB2 LYS 4 HB2 LYS 4 -9.693 -3.976 0.379 27 HB3 LYS 4 HB1 LYS 4 -8.603 -3.976 1.759 28 HG2 LYS 4 HG2 LYS 4 -10.400 -3.546 3.269 29 HG3 LYS 4 HG1 LYS 4 -11.532 -3.326 1.936 30 HD2 LYS 4 HD2 LYS 4 -11.088 -5.629 1.238 31 HD3 LYS 4 HD1 LYS 4 -10.028 -5.763 2.645 32 HE2 LYS 4 HE2 LYS 4 -12.223 -6.751 3.098 33 HE3 LYS 4 HE1 LYS 4 -11.944 -5.345 4.123 34 HZ1 LYS 4 HZ1 LYS 4 -14.175 -5.347 3.187 35 HZ2 LYS 4 HZ2 LYS 4 -13.563 -5.363 1.624 36 HZ3 LYS 4 HZ3 LYS 4 -13.302 -4.034 2.620 37 H LEU 5 HN LEU 5 -9.690 -1.683 -1.214 38 HA LEU 5 HA LEU 5 -7.379 -2.263 -2.552 39 HB2 LEU 5 HB2 LEU 5 -9.703 -1.775 -3.416 40 HB3 LEU 5 HB1 LEU 5 -9.348 -0.079 -3.236 41 HG LEU 5 HG LEU 5 -7.842 -1.930 -5.085 42 HD11 LEU 5 HD11 LEU 5 -10.136 -0.061 -5.665 43 HD12 LEU 5 HD12 LEU 5 -10.212 -1.821 -5.677 44 HD13 LEU 5 HD13 LEU 5 -9.224 -0.974 -6.867 45 HD21 LEU 5 HD21 LEU 5 -8.054 1.089 -5.040 46 HD22 LEU 5 HD22 LEU 5 -7.108 0.122 -6.179 47 HD23 LEU 5 HD23 LEU 5 -6.668 0.162 -4.474 48 H LEU 6 HN LEU 6 -8.323 0.825 -1.031 49 HA LEU 6 HA LEU 6 -6.128 2.241 -2.125 50 HB2 LEU 6 HB2 LEU 6 -7.996 3.046 0.114 51 HB3 LEU 6 HB1 LEU 6 -6.686 4.065 -0.436 52 HG LEU 6 HG LEU 6 -8.678 4.882 -1.382 53 HD11 LEU 6 HD11 LEU 6 -8.315 4.722 -3.769 54 HD12 LEU 6 HD12 LEU 6 -7.250 3.344 -3.524 55 HD13 LEU 6 HD13 LEU 6 -6.801 4.927 -2.886 56 HD21 LEU 6 HD21 LEU 6 -9.260 2.102 -2.399 57 HD22 LEU 6 HD22 LEU 6 -10.209 3.547 -2.752 58 HD23 LEU 6 HD23 LEU 6 -10.114 2.938 -1.101 59 HA PRO 7 HA PRO 7 -3.955 1.759 2.261 60 HB2 PRO 7 HB2 PRO 7 -5.233 -0.845 2.960 61 HB3 PRO 7 HB1 PRO 7 -4.656 0.440 4.031 62 HG2 PRO 7 HG2 PRO 7 -7.247 0.138 3.609 63 HG3 PRO 7 HG1 PRO 7 -6.531 1.758 3.668 64 HD2 PRO 7 HD2 PRO 7 -7.419 0.167 1.306 65 HD3 PRO 7 HD1 PRO 7 -7.542 1.910 1.621 66 H ARG 8 HN ARG 8 -5.045 -1.017 0.357 67 HA ARG 8 HA ARG 8 -2.650 -2.493 0.424 68 HB2 ARG 8 HB2 ARG 8 -4.879 -2.407 -1.597 69 HB3 ARG 8 HB1 ARG 8 -3.519 -3.506 -1.739 70 HG2 ARG 8 HG2 ARG 8 -4.126 -4.605 0.323 71 HG3 ARG 8 HG1 ARG 8 -5.381 -3.406 0.622 72 HD2 ARG 8 HD2 ARG 8 -6.232 -5.557 -0.282 73 HD3 ARG 8 HD1 ARG 8 -6.650 -4.154 -1.265 74 HE ARG 8 HE ARG 8 -4.255 -5.576 -2.022 75 HH11 ARG 8 HH11 ARG 8 -7.760 -5.370 -2.524 76 HH12 ARG 8 HH12 ARG 8 -7.700 -5.884 -4.135 77 HH21 ARG 8 HH21 ARG 8 -4.189 -6.333 -4.218 78 HH22 ARG 8 HH22 ARG 8 -5.622 -6.447 -5.141 79 H ILE 9 HN ILE 9 -3.801 -0.051 -1.879 80 HA ILE 9 HA ILE 9 -1.553 -0.073 -3.588 81 HB ILE 9 HB ILE 9 -3.424 2.222 -2.907 82 HG12 ILE 9 HG12 ILE 9 -4.570 0.342 -3.943 83 HG13 ILE 9 HG11 ILE 9 -4.519 1.711 -5.048 84 HG21 ILE 9 HG21 ILE 9 -1.353 3.132 -3.794 85 HG22 ILE 9 HG22 ILE 9 -2.661 3.327 -4.960 86 HG23 ILE 9 HG23 ILE 9 -1.458 2.060 -5.192 87 HD11 ILE 9 HD11 ILE 9 -2.671 0.643 -6.244 88 HD12 ILE 9 HD12 ILE 9 -4.121 -0.357 -6.222 89 HD13 ILE 9 HD13 ILE 9 -2.771 -0.745 -5.158 90 H LYS 10 HN LYS 10 -2.303 1.761 -0.698 91 HA LYS 10 HA LYS 10 0.022 3.328 -0.657 92 HB2 LYS 10 HB2 LYS 10 -1.717 2.450 1.647 93 HB3 LYS 10 HB1 LYS 10 -0.491 3.705 1.744 94 HG2 LYS 10 HG2 LYS 10 -1.697 4.987 0.027 95 HG3 LYS 10 HG1 LYS 10 -2.945 3.745 0.009 96 HD2 LYS 10 HD2 LYS 10 -3.393 4.192 2.387 97 HD3 LYS 10 HD1 LYS 10 -2.166 5.464 2.358 98 HE2 LYS 10 HE2 LYS 10 -3.426 6.609 0.594 99 HE3 LYS 10 HE1 LYS 10 -4.676 5.372 0.693 100 HZ1 LYS 10 HZ1 LYS 10 -3.897 7.277 2.829 101 HZ2 LYS 10 HZ2 LYS 10 -5.001 6.022 3.026 102 HZ3 LYS 10 HZ3 LYS 10 -5.339 7.271 1.943 103 H LYS 11 HN LYS 11 -0.629 0.147 0.728 104 HA LYS 11 HA LYS 11 1.896 -0.044 1.943 105 HB2 LYS 11 HB2 LYS 11 -0.057 -2.195 1.181 106 HB3 LYS 11 HB1 LYS 11 1.479 -2.534 1.968 107 HG2 LYS 11 HG2 LYS 11 0.764 -0.962 3.794 108 HG3 LYS 11 HG1 LYS 11 -0.829 -0.945 3.042 109 HD2 LYS 11 HD2 LYS 11 -0.731 -2.557 4.886 110 HD3 LYS 11 HD1 LYS 11 -1.001 -3.367 3.344 111 HE2 LYS 11 HE2 LYS 11 1.263 -4.109 3.235 112 HE3 LYS 11 HE1 LYS 11 1.741 -3.061 4.570 113 HZ1 LYS 11 HZ1 LYS 11 -0.135 -5.338 4.786 114 HZ2 LYS 11 HZ2 LYS 11 0.471 -4.403 6.057 115 HZ3 LYS 11 HZ3 LYS 11 1.499 -5.415 5.183 116 H LYS 12 HN LYS 12 0.927 -0.504 -1.315 117 HA LYS 12 HA LYS 12 3.334 -1.906 -2.019 118 HB2 LYS 12 HB2 LYS 12 1.364 -0.445 -3.769 119 HB3 LYS 12 HB1 LYS 12 2.665 -1.471 -4.360 120 HG2 LYS 12 HG2 LYS 12 0.286 -2.318 -2.726 121 HG3 LYS 12 HG1 LYS 12 0.587 -2.684 -4.422 122 HD2 LYS 12 HD2 LYS 12 2.622 -3.938 -3.745 123 HD3 LYS 12 HD1 LYS 12 2.218 -3.618 -2.058 124 HE2 LYS 12 HE2 LYS 12 1.489 -5.826 -2.679 125 HE3 LYS 12 HE1 LYS 12 0.099 -4.795 -2.352 126 HZ1 LYS 12 HZ1 LYS 12 -0.202 -6.142 -4.367 127 HZ2 LYS 12 HZ2 LYS 12 1.140 -5.420 -5.062 128 HZ3 LYS 12 HZ3 LYS 12 -0.215 -4.499 -4.722 129 H ILE 13 HN ILE 13 2.289 1.384 -1.842 130 HA ILE 13 HA ILE 13 4.604 2.537 -3.046 131 HB ILE 13 HB ILE 13 2.728 3.718 -0.960 132 HG12 ILE 13 HG12 ILE 13 1.467 3.065 -2.937 133 HG13 ILE 13 HG11 ILE 13 1.576 4.816 -2.855 134 HG21 ILE 13 HG21 ILE 13 4.637 5.124 -2.827 135 HG22 ILE 13 HG22 ILE 13 4.808 4.966 -1.078 136 HG23 ILE 13 HG23 ILE 13 3.483 5.916 -1.752 137 HD11 ILE 13 HD11 ILE 13 3.200 3.009 -4.645 138 HD12 ILE 13 HD12 ILE 13 3.348 4.763 -4.559 139 HD13 ILE 13 HD13 ILE 13 1.850 4.034 -5.132 140 H LEU 14 HN LEU 14 3.600 1.697 0.192 141 HA LEU 14 HA LEU 14 5.878 2.469 1.627 142 HB2 LEU 14 HB2 LEU 14 3.709 1.838 2.628 143 HB3 LEU 14 HB1 LEU 14 3.978 0.185 2.127 144 HG LEU 14 HG LEU 14 5.917 0.059 3.647 145 HD11 LEU 14 HD11 LEU 14 5.012 2.792 4.533 146 HD12 LEU 14 HD12 LEU 14 6.535 2.400 3.729 147 HD13 LEU 14 HD13 LEU 14 6.207 1.787 5.348 148 HD21 LEU 14 HD21 LEU 14 3.321 0.895 4.923 149 HD22 LEU 14 HD22 LEU 14 4.610 -0.018 5.709 150 HD23 LEU 14 HD23 LEU 14 3.727 -0.725 4.357 151 H ALA 15 HN ALA 15 5.099 -0.460 -0.140 152 HA ALA 15 HA ALA 15 7.364 -1.978 0.605 153 HB1 ALA 15 HB1 ALA 15 5.356 -3.003 -0.352 154 HB2 ALA 15 HB2 ALA 15 6.790 -3.415 -1.298 155 HB3 ALA 15 HB3 ALA 15 5.670 -2.187 -1.882 156 H ALA 16 HN ALA 16 6.894 0.548 -1.663 157 HA ALA 16 HA ALA 16 9.355 0.017 -3.082 158 HB1 ALA 16 HB1 ALA 16 7.422 0.953 -4.273 159 HB2 ALA 16 HB2 ALA 16 8.804 2.048 -4.324 160 HB3 ALA 16 HB3 ALA 16 7.465 2.369 -3.222 161 H ALA 17 HN ALA 17 8.170 1.858 -0.446 162 HA ALA 17 HA ALA 17 10.371 3.682 -0.273 163 HB1 ALA 17 HB1 ALA 17 8.248 2.978 1.755 164 HB2 ALA 17 HB2 ALA 17 8.149 4.280 0.570 165 HB3 ALA 17 HB3 ALA 17 9.356 4.342 1.855 166 H PHE 18 HN PHE 18 9.332 0.783 1.498 167 HA PHE 18 HA PHE 18 11.747 0.672 3.047 168 HB2 PHE 18 HB2 PHE 18 9.572 -0.170 3.913 169 HB3 PHE 18 HB1 PHE 18 9.558 -1.391 2.650 170 HD1 PHE 18 HD1 PHE 18 10.522 -3.485 3.052 171 HD2 PHE 18 HD2 PHE 18 11.542 -0.207 5.558 172 HE1 PHE 18 HE1 PHE 18 11.744 -5.004 4.543 173 HE2 PHE 18 HE2 PHE 18 12.766 -1.727 7.051 174 HZ PHE 18 HZ PHE 18 12.868 -4.130 6.545 175 H LYS 19 HN LYS 19 13.580 -0.078 2.280 176 HA LYS 19 HA LYS 19 13.499 -1.886 -0.008 177 HB2 LYS 19 HB2 LYS 19 15.325 0.493 0.376 178 HB3 LYS 19 HB1 LYS 19 15.366 -0.629 -0.979 179 HG2 LYS 19 HG2 LYS 19 13.148 0.089 -1.684 180 HG3 LYS 19 HG1 LYS 19 13.028 1.152 -0.291 181 HD2 LYS 19 HD2 LYS 19 15.031 1.418 -2.543 182 HD3 LYS 19 HD1 LYS 19 13.561 2.351 -2.356 183 HE2 LYS 19 HE2 LYS 19 15.810 2.341 -0.338 184 HE3 LYS 19 HE1 LYS 19 15.591 3.542 -1.602 185 HZ1 LYS 19 HZ1 LYS 19 13.586 2.995 0.541 186 HZ2 LYS 19 HZ2 LYS 19 13.523 4.199 -0.647 187 HZ3 LYS 19 HZ3 LYS 19 14.702 4.255 0.530 Start of MODEL 9 1 H2 PRO 1 HT1 PRO 1 -12.972 6.392 0.879 2 H3 PRO 1 HT2 PRO 1 -11.899 6.443 2.089 3 HA PRO 1 HA PRO 1 -13.645 6.207 3.752 4 HB2 PRO 1 HB2 PRO 1 -15.209 4.538 2.060 5 HB3 PRO 1 HB1 PRO 1 -15.751 5.972 2.933 6 HG2 PRO 1 HG2 PRO 1 -14.908 5.696 0.113 7 HG3 PRO 1 HG1 PRO 1 -15.997 6.878 0.857 8 HD2 PRO 1 HD2 PRO 1 -13.571 7.606 0.028 9 HD3 PRO 1 HD1 PRO 1 -14.301 8.257 1.495 10 H MET 2 HN MET 2 -14.423 3.551 3.724 11 HA MET 2 HA MET 2 -11.852 2.294 3.657 12 HB2 MET 2 HB2 MET 2 -14.547 1.175 4.434 13 HB3 MET 2 HB1 MET 2 -13.026 0.317 4.569 14 HG2 MET 2 HG2 MET 2 -12.225 1.955 6.176 15 HG3 MET 2 HG1 MET 2 -13.731 2.856 6.021 16 HE1 MET 2 HE1 MET 2 -12.066 -0.509 7.194 17 HE2 MET 2 HE2 MET 2 -13.321 -1.107 6.104 18 HE3 MET 2 HE3 MET 2 -13.446 -1.395 7.836 19 H ALA 3 HN ALA 3 -11.405 2.275 1.500 20 HA ALA 3 HA ALA 3 -12.791 0.169 -0.023 21 HB1 ALA 3 HB1 ALA 3 -12.887 2.346 -1.169 22 HB2 ALA 3 HB2 ALA 3 -11.833 1.237 -2.047 23 HB3 ALA 3 HB3 ALA 3 -11.135 2.500 -1.033 24 H LYS 4 HN LYS 4 -11.645 -1.630 -0.170 25 HA LYS 4 HA LYS 4 -9.234 -1.981 1.139 26 HB2 LYS 4 HB2 LYS 4 -9.108 -4.226 0.275 27 HB3 LYS 4 HB1 LYS 4 -10.765 -3.850 0.688 28 HG2 LYS 4 HG2 LYS 4 -9.687 -3.764 -2.128 29 HG3 LYS 4 HG1 LYS 4 -10.425 -5.191 -1.413 30 HD2 LYS 4 HD2 LYS 4 -12.510 -3.917 -1.093 31 HD3 LYS 4 HD1 LYS 4 -11.744 -2.511 -1.839 32 HE2 LYS 4 HE2 LYS 4 -11.453 -3.742 -3.909 33 HE3 LYS 4 HE1 LYS 4 -12.140 -5.185 -3.167 34 HZ1 LYS 4 HZ1 LYS 4 -13.724 -3.962 -4.550 35 HZ2 LYS 4 HZ2 LYS 4 -13.618 -2.630 -3.500 36 HZ3 LYS 4 HZ3 LYS 4 -14.229 -4.088 -2.950 37 H LEU 5 HN LEU 5 -9.642 -0.854 -2.050 38 HA LEU 5 HA LEU 5 -7.127 -1.660 -3.068 39 HB2 LEU 5 HB2 LEU 5 -8.868 0.657 -3.894 40 HB3 LEU 5 HB1 LEU 5 -7.486 0.069 -4.792 41 HG LEU 5 HG LEU 5 -10.048 -1.449 -4.286 42 HD11 LEU 5 HD11 LEU 5 -10.325 0.350 -5.884 43 HD12 LEU 5 HD12 LEU 5 -10.379 -1.213 -6.698 44 HD13 LEU 5 HD13 LEU 5 -8.927 -0.218 -6.795 45 HD21 LEU 5 HD21 LEU 5 -7.597 -2.230 -5.875 46 HD22 LEU 5 HD22 LEU 5 -9.122 -3.112 -5.843 47 HD23 LEU 5 HD23 LEU 5 -8.153 -2.984 -4.377 48 H LEU 6 HN LEU 6 -8.164 1.074 -1.133 49 HA LEU 6 HA LEU 6 -5.906 2.664 -1.681 50 HB2 LEU 6 HB2 LEU 6 -7.812 2.834 0.643 51 HB3 LEU 6 HB1 LEU 6 -6.586 4.029 0.274 52 HG LEU 6 HG LEU 6 -8.963 3.323 -1.442 53 HD11 LEU 6 HD11 LEU 6 -8.298 5.784 0.149 54 HD12 LEU 6 HD12 LEU 6 -9.554 4.601 0.521 55 HD13 LEU 6 HD13 LEU 6 -9.681 5.599 -0.928 56 HD21 LEU 6 HD21 LEU 6 -6.780 5.365 -1.889 57 HD22 LEU 6 HD22 LEU 6 -8.247 5.206 -2.852 58 HD23 LEU 6 HD23 LEU 6 -7.058 3.910 -2.850 59 HA PRO 7 HA PRO 7 -3.964 1.078 2.514 60 HB2 PRO 7 HB2 PRO 7 -4.756 -1.521 3.113 61 HB3 PRO 7 HB1 PRO 7 -5.315 -0.073 3.955 62 HG2 PRO 7 HG2 PRO 7 -6.624 -1.608 1.758 63 HG3 PRO 7 HG1 PRO 7 -7.349 -0.879 3.203 64 HD2 PRO 7 HD2 PRO 7 -7.570 0.303 0.830 65 HD3 PRO 7 HD1 PRO 7 -7.284 1.265 2.296 66 H ARG 8 HN ARG 8 -4.996 -1.131 -0.034 67 HA ARG 8 HA ARG 8 -2.606 -2.653 -0.033 68 HB2 ARG 8 HB2 ARG 8 -4.689 -2.309 -2.178 69 HB3 ARG 8 HB1 ARG 8 -3.328 -3.408 -2.317 70 HG2 ARG 8 HG2 ARG 8 -4.147 -4.548 -0.243 71 HG3 ARG 8 HG1 ARG 8 -5.589 -3.531 -0.338 72 HD2 ARG 8 HD2 ARG 8 -5.985 -5.700 -1.374 73 HD3 ARG 8 HD1 ARG 8 -6.055 -4.406 -2.573 74 HE ARG 8 HE ARG 8 -3.464 -5.552 -2.301 75 HH11 ARG 8 HH11 ARG 8 -6.594 -6.033 -3.883 76 HH12 ARG 8 HH12 ARG 8 -5.973 -6.885 -5.207 77 HH21 ARG 8 HH21 ARG 8 -2.597 -6.727 -4.111 78 HH22 ARG 8 HH22 ARG 8 -3.618 -7.293 -5.342 79 H ILE 9 HN ILE 9 -3.714 0.013 -2.106 80 HA ILE 9 HA ILE 9 -1.367 0.242 -3.616 81 HB ILE 9 HB ILE 9 -3.420 2.345 -2.841 82 HG12 ILE 9 HG12 ILE 9 -2.980 0.851 -5.440 83 HG13 ILE 9 HG11 ILE 9 -4.225 0.485 -4.254 84 HG21 ILE 9 HG21 ILE 9 -1.335 3.494 -3.352 85 HG22 ILE 9 HG22 ILE 9 -2.511 3.761 -4.639 86 HG23 ILE 9 HG23 ILE 9 -1.199 2.607 -4.869 87 HD11 ILE 9 HD11 ILE 9 -5.129 1.721 -6.141 88 HD12 ILE 9 HD12 ILE 9 -3.988 3.035 -5.842 89 HD13 ILE 9 HD13 ILE 9 -5.245 2.671 -4.660 90 H LYS 10 HN LYS 10 -2.304 1.663 -0.547 91 HA LYS 10 HA LYS 10 -0.082 3.324 -0.135 92 HB2 LYS 10 HB2 LYS 10 -2.180 3.394 1.184 93 HB3 LYS 10 HB1 LYS 10 -1.741 1.863 1.920 94 HG2 LYS 10 HG2 LYS 10 0.264 2.930 2.874 95 HG3 LYS 10 HG1 LYS 10 -0.270 4.470 2.192 96 HD2 LYS 10 HD2 LYS 10 -2.366 4.270 3.483 97 HD3 LYS 10 HD1 LYS 10 -1.746 2.791 4.210 98 HE2 LYS 10 HE2 LYS 10 -1.407 4.670 5.705 99 HE3 LYS 10 HE1 LYS 10 0.142 4.045 5.141 100 HZ1 LYS 10 HZ1 LYS 10 0.262 5.874 3.571 101 HZ2 LYS 10 HZ2 LYS 10 0.048 6.464 5.126 102 HZ3 LYS 10 HZ3 LYS 10 -1.246 6.424 4.055 103 H LYS 11 HN LYS 11 -0.683 -0.046 0.780 104 HA LYS 11 HA LYS 11 1.712 -0.516 2.155 105 HB2 LYS 11 HB2 LYS 11 -0.256 -1.953 2.347 106 HB3 LYS 11 HB1 LYS 11 -0.090 -2.427 0.665 107 HG2 LYS 11 HG2 LYS 11 2.074 -3.470 1.204 108 HG3 LYS 11 HG1 LYS 11 1.830 -3.028 2.890 109 HD2 LYS 11 HD2 LYS 11 -0.130 -4.401 3.036 110 HD3 LYS 11 HD1 LYS 11 -0.064 -4.747 1.306 111 HE2 LYS 11 HE2 LYS 11 0.807 -6.618 2.612 112 HE3 LYS 11 HE1 LYS 11 2.053 -5.895 1.603 113 HZ1 LYS 11 HZ1 LYS 11 2.856 -6.390 3.833 114 HZ2 LYS 11 HZ2 LYS 11 1.709 -5.373 4.511 115 HZ3 LYS 11 HZ3 LYS 11 2.918 -4.741 3.540 116 H LYS 12 HN LYS 12 0.843 -0.876 -1.231 117 HA LYS 12 HA LYS 12 3.238 -2.065 -2.139 118 HB2 LYS 12 HB2 LYS 12 1.263 -0.295 -3.569 119 HB3 LYS 12 HB1 LYS 12 2.579 -1.141 -4.366 120 HG2 LYS 12 HG2 LYS 12 1.636 -3.267 -3.758 121 HG3 LYS 12 HG1 LYS 12 0.367 -2.467 -2.823 122 HD2 LYS 12 HD2 LYS 12 -0.496 -1.433 -4.826 123 HD3 LYS 12 HD1 LYS 12 0.819 -2.123 -5.774 124 HE2 LYS 12 HE2 LYS 12 0.005 -4.369 -5.257 125 HE3 LYS 12 HE1 LYS 12 -1.308 -3.674 -4.305 126 HZ1 LYS 12 HZ1 LYS 12 -0.869 -3.123 -7.168 127 HZ2 LYS 12 HZ2 LYS 12 -2.225 -2.690 -6.274 128 HZ3 LYS 12 HZ3 LYS 12 -1.905 -4.319 -6.618 129 H ILE 13 HN ILE 13 2.224 1.279 -1.858 130 HA ILE 13 HA ILE 13 4.580 2.449 -2.885 131 HB ILE 13 HB ILE 13 2.568 3.547 -0.901 132 HG12 ILE 13 HG12 ILE 13 2.839 4.030 -3.872 133 HG13 ILE 13 HG11 ILE 13 1.692 2.913 -3.144 134 HG21 ILE 13 HG21 ILE 13 4.687 5.017 -2.478 135 HG22 ILE 13 HG22 ILE 13 4.673 4.776 -0.731 136 HG23 ILE 13 HG23 ILE 13 3.436 5.774 -1.491 137 HD11 ILE 13 HD11 ILE 13 0.623 4.983 -3.730 138 HD12 ILE 13 HD12 ILE 13 1.783 5.887 -2.756 139 HD13 ILE 13 HD13 ILE 13 0.640 4.791 -1.977 140 H LEU 14 HN LEU 14 3.520 1.723 0.393 141 HA LEU 14 HA LEU 14 5.688 2.728 1.796 142 HB2 LEU 14 HB2 LEU 14 3.528 2.078 2.779 143 HB3 LEU 14 HB1 LEU 14 3.911 0.397 2.489 144 HG LEU 14 HG LEU 14 5.808 0.589 4.065 145 HD11 LEU 14 HD11 LEU 14 4.687 3.338 4.589 146 HD12 LEU 14 HD12 LEU 14 6.254 2.966 3.868 147 HD13 LEU 14 HD13 LEU 14 5.931 2.532 5.545 148 HD21 LEU 14 HD21 LEU 14 3.119 1.381 5.177 149 HD22 LEU 14 HD22 LEU 14 4.442 0.662 6.095 150 HD23 LEU 14 HD23 LEU 14 3.654 -0.260 4.815 151 H ALA 15 HN ALA 15 5.145 -0.576 0.588 152 HA ALA 15 HA ALA 15 7.593 -1.575 1.628 153 HB1 ALA 15 HB1 ALA 15 5.871 -2.728 -0.561 154 HB2 ALA 15 HB2 ALA 15 5.657 -3.010 1.166 155 HB3 ALA 15 HB3 ALA 15 7.115 -3.582 0.353 156 H ALA 16 HN ALA 16 6.836 0.147 -1.226 157 HA ALA 16 HA ALA 16 9.255 -0.713 -2.582 158 HB1 ALA 16 HB1 ALA 16 7.197 1.309 -3.433 159 HB2 ALA 16 HB2 ALA 16 7.219 -0.395 -3.889 160 HB3 ALA 16 HB3 ALA 16 8.511 0.681 -4.424 161 H ALA 17 HN ALA 17 7.908 2.333 -1.357 162 HA ALA 17 HA ALA 17 10.328 3.759 -1.950 163 HB1 ALA 17 HB1 ALA 17 9.176 5.702 -1.082 164 HB2 ALA 17 HB2 ALA 17 7.881 4.679 -0.462 165 HB3 ALA 17 HB3 ALA 17 8.138 4.818 -2.200 166 H PHE 18 HN PHE 18 8.748 2.550 0.989 167 HA PHE 18 HA PHE 18 10.905 3.683 2.571 168 HB2 PHE 18 HB2 PHE 18 8.435 3.758 3.307 169 HB3 PHE 18 HB1 PHE 18 8.562 2.028 3.547 170 HD1 PHE 18 HD1 PHE 18 10.099 1.145 5.310 171 HD2 PHE 18 HD2 PHE 18 9.296 5.290 4.866 172 HE1 PHE 18 HE1 PHE 18 10.945 1.551 7.579 173 HE2 PHE 18 HE2 PHE 18 10.147 5.702 7.132 174 HZ PHE 18 HZ PHE 18 10.975 3.837 8.488 175 H LYS 19 HN LYS 19 12.646 2.541 2.707 176 HA LYS 19 HA LYS 19 12.484 -0.347 2.323 177 HB2 LYS 19 HB2 LYS 19 14.850 1.495 1.914 178 HB3 LYS 19 HB1 LYS 19 14.768 -0.214 1.504 179 HG2 LYS 19 HG2 LYS 19 13.067 0.232 -0.173 180 HG3 LYS 19 HG1 LYS 19 13.060 1.938 0.265 181 HD2 LYS 19 HD2 LYS 19 15.463 2.041 -0.392 182 HD3 LYS 19 HD1 LYS 19 15.323 0.378 -0.967 183 HE2 LYS 19 HE2 LYS 19 13.699 2.721 -1.961 184 HE3 LYS 19 HE1 LYS 19 15.072 2.016 -2.804 185 HZ1 LYS 19 HZ1 LYS 19 13.054 1.195 -3.729 186 HZ2 LYS 19 HZ2 LYS 19 12.441 0.756 -2.248 187 HZ3 LYS 19 HZ3 LYS 19 13.758 -0.087 -2.898 Start of MODEL 10 1 H2 PRO 1 HT1 PRO 1 -11.891 -1.484 6.239 2 H3 PRO 1 HT2 PRO 1 -11.635 0.142 6.466 3 HA PRO 1 HA PRO 1 -10.436 0.421 4.530 4 HB2 PRO 1 HB2 PRO 1 -10.989 -2.240 3.449 5 HB3 PRO 1 HB1 PRO 1 -9.504 -1.283 3.377 6 HG2 PRO 1 HG2 PRO 1 -9.715 -3.439 4.973 7 HG3 PRO 1 HG1 PRO 1 -8.765 -2.021 5.440 8 HD2 PRO 1 HD2 PRO 1 -11.449 -2.909 6.311 9 HD3 PRO 1 HD1 PRO 1 -10.199 -2.195 7.298 10 H MET 2 HN MET 2 -12.214 1.720 4.176 11 HA MET 2 HA MET 2 -14.687 0.532 3.300 12 HB2 MET 2 HB2 MET 2 -13.793 3.422 3.376 13 HB3 MET 2 HB1 MET 2 -15.426 2.877 3.005 14 HG2 MET 2 HG2 MET 2 -13.958 2.444 5.581 15 HG3 MET 2 HG1 MET 2 -15.241 3.622 5.315 16 HE1 MET 2 HE1 MET 2 -16.939 0.905 7.629 17 HE2 MET 2 HE2 MET 2 -16.518 2.611 7.461 18 HE3 MET 2 HE3 MET 2 -15.252 1.406 7.689 19 H ALA 3 HN ALA 3 -12.115 2.511 1.952 20 HA ALA 3 HA ALA 3 -12.842 1.513 -0.683 21 HB1 ALA 3 HB1 ALA 3 -11.210 3.202 -1.510 22 HB2 ALA 3 HB2 ALA 3 -10.899 3.688 0.157 23 HB3 ALA 3 HB3 ALA 3 -12.489 3.951 -0.555 24 H LYS 4 HN LYS 4 -12.185 -0.494 -0.391 25 HA LYS 4 HA LYS 4 -10.013 -1.285 1.149 26 HB2 LYS 4 HB2 LYS 4 -10.370 -3.559 0.422 27 HB3 LYS 4 HB1 LYS 4 -11.885 -2.776 0.799 28 HG2 LYS 4 HG2 LYS 4 -10.836 -3.216 -1.994 29 HG3 LYS 4 HG1 LYS 4 -11.946 -4.294 -1.176 30 HD2 LYS 4 HD2 LYS 4 -13.582 -2.435 -1.025 31 HD3 LYS 4 HD1 LYS 4 -12.463 -1.421 -1.941 32 HE2 LYS 4 HE2 LYS 4 -12.538 -3.004 -3.798 33 HE3 LYS 4 HE1 LYS 4 -13.648 -4.022 -2.886 34 HZ1 LYS 4 HZ1 LYS 4 -15.248 -2.219 -2.917 35 HZ2 LYS 4 HZ2 LYS 4 -14.814 -2.667 -4.474 36 HZ3 LYS 4 HZ3 LYS 4 -14.191 -1.252 -3.797 37 H LEU 5 HN LEU 5 -9.935 -0.322 -2.161 38 HA LEU 5 HA LEU 5 -7.461 -1.698 -2.604 39 HB2 LEU 5 HB2 LEU 5 -8.908 0.364 -4.244 40 HB3 LEU 5 HB1 LEU 5 -7.273 -0.106 -4.634 41 HG LEU 5 HG LEU 5 -8.749 -1.273 -6.078 42 HD11 LEU 5 HD11 LEU 5 -8.226 -3.592 -5.646 43 HD12 LEU 5 HD12 LEU 5 -7.777 -3.197 -3.995 44 HD13 LEU 5 HD13 LEU 5 -6.842 -2.544 -5.341 45 HD21 LEU 5 HD21 LEU 5 -10.490 -2.819 -5.274 46 HD22 LEU 5 HD22 LEU 5 -10.815 -1.142 -4.841 47 HD23 LEU 5 HD23 LEU 5 -10.188 -2.258 -3.628 48 H LEU 6 HN LEU 6 -8.315 1.273 -1.128 49 HA LEU 6 HA LEU 6 -5.946 2.672 -1.701 50 HB2 LEU 6 HB2 LEU 6 -7.849 3.072 0.599 51 HB3 LEU 6 HB1 LEU 6 -6.491 4.122 0.267 52 HG LEU 6 HG LEU 6 -8.923 3.709 -1.469 53 HD11 LEU 6 HD11 LEU 6 -7.924 6.109 0.049 54 HD12 LEU 6 HD12 LEU 6 -9.283 5.086 0.507 55 HD13 LEU 6 HD13 LEU 6 -9.363 6.045 -0.969 56 HD21 LEU 6 HD21 LEU 6 -7.963 5.477 -2.898 57 HD22 LEU 6 HD22 LEU 6 -6.986 4.016 -2.900 58 HD23 LEU 6 HD23 LEU 6 -6.474 5.416 -1.953 59 HA PRO 7 HA PRO 7 -4.089 1.168 2.523 60 HB2 PRO 7 HB2 PRO 7 -5.003 -1.359 3.252 61 HB3 PRO 7 HB1 PRO 7 -5.477 0.148 4.035 62 HG2 PRO 7 HG2 PRO 7 -6.914 -1.443 1.964 63 HG3 PRO 7 HG1 PRO 7 -7.558 -0.551 3.355 64 HD2 PRO 7 HD2 PRO 7 -7.728 0.422 0.862 65 HD3 PRO 7 HD1 PRO 7 -7.457 1.483 2.260 66 H ARG 8 HN ARG 8 -5.297 -1.145 0.185 67 HA ARG 8 HA ARG 8 -3.110 -2.904 0.179 68 HB2 ARG 8 HB2 ARG 8 -5.152 -2.307 -1.956 69 HB3 ARG 8 HB1 ARG 8 -3.958 -3.585 -2.099 70 HG2 ARG 8 HG2 ARG 8 -4.863 -4.695 -0.148 71 HG3 ARG 8 HG1 ARG 8 -6.014 -3.381 0.092 72 HD2 ARG 8 HD2 ARG 8 -7.051 -5.318 -0.984 73 HD3 ARG 8 HD1 ARG 8 -7.079 -3.901 -2.029 74 HE ARG 8 HE ARG 8 -4.805 -5.273 -2.714 75 HH11 ARG 8 HH11 ARG 8 -8.251 -6.092 -2.638 76 HH12 ARG 8 HH12 ARG 8 -8.154 -7.170 -3.947 77 HH21 ARG 8 HH21 ARG 8 -4.691 -6.685 -4.494 78 HH22 ARG 8 HH22 ARG 8 -6.090 -7.514 -5.056 79 H ILE 9 HN ILE 9 -3.833 -0.193 -2.029 80 HA ILE 9 HA ILE 9 -1.317 -0.490 -3.343 81 HB ILE 9 HB ILE 9 -1.815 1.661 -4.462 82 HG12 ILE 9 HG12 ILE 9 -4.331 1.629 -2.777 83 HG13 ILE 9 HG11 ILE 9 -3.001 2.760 -2.594 84 HG21 ILE 9 HG21 ILE 9 -4.095 -0.312 -4.443 85 HG22 ILE 9 HG22 ILE 9 -2.628 -0.414 -5.414 86 HG23 ILE 9 HG23 ILE 9 -3.789 0.882 -5.705 87 HD11 ILE 9 HD11 ILE 9 -4.806 2.514 -4.988 88 HD12 ILE 9 HD12 ILE 9 -3.477 3.661 -4.810 89 HD13 ILE 9 HD13 ILE 9 -4.879 3.768 -3.749 90 H LYS 10 HN LYS 10 -2.408 1.251 -0.573 91 HA LYS 10 HA LYS 10 -0.311 3.105 -0.375 92 HB2 LYS 10 HB2 LYS 10 -2.385 3.241 0.966 93 HB3 LYS 10 HB1 LYS 10 -1.882 1.814 1.861 94 HG2 LYS 10 HG2 LYS 10 0.136 3.051 2.583 95 HG3 LYS 10 HG1 LYS 10 -0.525 4.490 1.810 96 HD2 LYS 10 HD2 LYS 10 -2.450 4.419 3.276 97 HD3 LYS 10 HD1 LYS 10 -1.865 2.922 4.003 98 HE2 LYS 10 HE2 LYS 10 -0.496 5.604 4.091 99 HE3 LYS 10 HE1 LYS 10 -1.326 4.818 5.427 100 HZ1 LYS 10 HZ1 LYS 10 1.173 3.910 4.092 101 HZ2 LYS 10 HZ2 LYS 10 0.320 2.978 5.197 102 HZ3 LYS 10 HZ3 LYS 10 0.984 4.460 5.680 103 H LYS 11 HN LYS 11 -0.679 -0.221 0.683 104 HA LYS 11 HA LYS 11 1.751 -0.465 2.105 105 HB2 LYS 11 HB2 LYS 11 0.212 -2.591 0.603 106 HB3 LYS 11 HB1 LYS 11 1.489 -2.894 1.770 107 HG2 LYS 11 HG2 LYS 11 0.126 -1.896 3.531 108 HG3 LYS 11 HG1 LYS 11 -1.135 -1.545 2.357 109 HD2 LYS 11 HD2 LYS 11 -1.732 -3.521 3.579 110 HD3 LYS 11 HD1 LYS 11 -1.347 -3.966 1.921 111 HE2 LYS 11 HE2 LYS 11 -0.396 -5.559 3.501 112 HE3 LYS 11 HE1 LYS 11 0.875 -4.717 2.626 113 HZ1 LYS 11 HZ1 LYS 11 -0.033 -4.068 5.389 114 HZ2 LYS 11 HZ2 LYS 11 1.231 -3.307 4.550 115 HZ3 LYS 11 HZ3 LYS 11 1.357 -4.922 4.977 116 H LYS 12 HN LYS 12 0.915 -0.734 -1.256 117 HA LYS 12 HA LYS 12 3.379 -1.848 -2.103 118 HB2 LYS 12 HB2 LYS 12 1.205 -0.437 -3.646 119 HB3 LYS 12 HB1 LYS 12 2.614 -1.168 -4.400 120 HG2 LYS 12 HG2 LYS 12 0.596 -2.650 -2.724 121 HG3 LYS 12 HG1 LYS 12 0.624 -2.619 -4.489 122 HD2 LYS 12 HD2 LYS 12 2.827 -3.642 -4.498 123 HD3 LYS 12 HD1 LYS 12 2.879 -3.598 -2.741 124 HE2 LYS 12 HE2 LYS 12 1.010 -5.131 -2.624 125 HE3 LYS 12 HE1 LYS 12 0.906 -5.164 -4.386 126 HZ1 LYS 12 HZ1 LYS 12 3.058 -6.133 -4.504 127 HZ2 LYS 12 HZ2 LYS 12 2.180 -7.071 -3.411 128 HZ3 LYS 12 HZ3 LYS 12 3.324 -5.962 -2.871 129 H ILE 13 HN ILE 13 2.139 1.461 -2.088 130 HA ILE 13 HA ILE 13 4.549 2.503 -3.182 131 HB ILE 13 HB ILE 13 2.396 3.726 -3.401 132 HG12 ILE 13 HG12 ILE 13 4.457 5.349 -1.888 133 HG13 ILE 13 HG11 ILE 13 4.507 4.975 -3.607 134 HG21 ILE 13 HG21 ILE 13 1.450 3.228 -1.251 135 HG22 ILE 13 HG22 ILE 13 1.433 4.968 -1.549 136 HG23 ILE 13 HG23 ILE 13 2.632 4.266 -0.457 137 HD11 ILE 13 HD11 ILE 13 2.395 6.620 -2.220 138 HD12 ILE 13 HD12 ILE 13 2.451 6.257 -3.945 139 HD13 ILE 13 HD13 ILE 13 3.713 7.244 -3.211 140 H LEU 14 HN LEU 14 3.577 1.579 -0.050 141 HA LEU 14 HA LEU 14 5.565 3.009 1.438 142 HB2 LEU 14 HB2 LEU 14 3.493 2.109 2.482 143 HB3 LEU 14 HB1 LEU 14 4.062 0.492 2.147 144 HG LEU 14 HG LEU 14 5.993 0.882 3.649 145 HD11 LEU 14 HD11 LEU 14 6.139 3.300 3.496 146 HD12 LEU 14 HD12 LEU 14 5.960 2.792 5.172 147 HD13 LEU 14 HD13 LEU 14 4.579 3.460 4.302 148 HD21 LEU 14 HD21 LEU 14 3.282 1.317 4.887 149 HD22 LEU 14 HD22 LEU 14 4.720 0.741 5.727 150 HD23 LEU 14 HD23 LEU 14 3.991 -0.238 4.456 151 H ALA 15 HN ALA 15 5.208 -0.419 0.567 152 HA ALA 15 HA ALA 15 7.716 -1.241 1.468 153 HB1 ALA 15 HB1 ALA 15 5.978 -2.492 -0.647 154 HB2 ALA 15 HB2 ALA 15 5.856 -2.767 1.090 155 HB3 ALA 15 HB3 ALA 15 7.295 -3.290 0.211 156 H ALA 16 HN ALA 16 6.856 0.366 -1.422 157 HA ALA 16 HA ALA 16 9.046 -0.372 -3.011 158 HB1 ALA 16 HB1 ALA 16 8.567 1.670 -4.291 159 HB2 ALA 16 HB2 ALA 16 7.486 2.210 -3.002 160 HB3 ALA 16 HB3 ALA 16 7.093 0.768 -3.934 161 H ALA 17 HN ALA 17 8.573 2.316 -0.750 162 HA ALA 17 HA ALA 17 11.369 3.102 -1.065 163 HB1 ALA 17 HB1 ALA 17 10.792 5.030 0.314 164 HB2 ALA 17 HB2 ALA 17 9.185 4.358 0.595 165 HB3 ALA 17 HB3 ALA 17 9.662 4.855 -1.028 166 H PHE 18 HN PHE 18 9.165 1.988 1.452 167 HA PHE 18 HA PHE 18 11.199 1.971 3.470 168 HB2 PHE 18 HB2 PHE 18 8.814 2.525 3.950 169 HB3 PHE 18 HB1 PHE 18 8.360 0.895 3.489 170 HD1 PHE 18 HD1 PHE 18 9.980 2.963 6.040 171 HD2 PHE 18 HD2 PHE 18 8.713 -0.936 4.980 172 HE1 PHE 18 HE1 PHE 18 10.260 2.246 8.377 173 HE2 PHE 18 HE2 PHE 18 8.996 -1.668 7.321 174 HZ PHE 18 HZ PHE 18 9.769 -0.073 9.017 175 H LYS 19 HN LYS 19 12.660 0.421 3.488 176 HA LYS 19 HA LYS 19 11.865 -2.286 2.924 177 HB2 LYS 19 HB2 LYS 19 13.884 -2.623 1.466 178 HB3 LYS 19 HB1 LYS 19 12.648 -1.591 0.772 179 HG2 LYS 19 HG2 LYS 19 13.987 0.392 1.364 180 HG3 LYS 19 HG1 LYS 19 15.217 -0.669 2.052 181 HD2 LYS 19 HD2 LYS 19 15.884 0.030 -0.169 182 HD3 LYS 19 HD1 LYS 19 15.535 -1.697 -0.168 183 HE2 LYS 19 HE2 LYS 19 14.613 -0.663 -2.147 184 HE3 LYS 19 HE1 LYS 19 13.308 -1.219 -1.108 185 HZ1 LYS 19 HZ1 LYS 19 12.791 0.945 -1.935 186 HZ2 LYS 19 HZ2 LYS 19 14.268 1.567 -1.442 187 HZ3 LYS 19 HZ3 LYS 19 13.133 1.140 -0.292
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