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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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3193 |
1d9p ![]() ![]() |
cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H LYS 1 1H LYS 1 19.103 5.676 2.541 2 2H LYS 1 2H LYS 1 17.663 5.814 3.431 3 3H LYS 1 3H LYS 1 18.087 7.015 2.307 4 HA LYS 1 HA LYS 1 17.515 5.737 0.489 5 1HB LYS 1 2HB LYS 1 18.049 3.462 2.420 6 2HB LYS 1 1HB LYS 1 17.434 3.211 0.786 7 1HG LYS 1 2HG LYS 1 19.800 4.976 0.963 8 2HG LYS 1 1HG LYS 1 20.089 3.295 1.413 9 1HD LYS 1 2HD LYS 1 18.475 3.163 -0.878 10 2HD LYS 1 1HD LYS 1 19.653 4.431 -1.220 11 1HE LYS 1 2HE LYS 1 20.295 1.608 -0.290 12 2HE LYS 1 1HE LYS 1 20.598 2.277 -1.906 13 1HZ LYS 1 1HZ LYS 1 22.563 2.872 -1.016 14 2HZ LYS 1 2HZ LYS 1 22.004 2.762 0.584 15 3HZ LYS 1 3HZ LYS 1 21.683 4.153 -0.337 16 H LEU 2 H LEU 2 15.549 3.890 0.302 17 HA LEU 2 HA LEU 2 13.451 4.682 2.292 18 1HB LEU 2 2HB LEU 2 13.739 5.391 -0.485 19 2HB LEU 2 1HB LEU 2 12.301 4.387 -0.296 20 HG LEU 2 HG LEU 2 12.181 6.114 1.884 21 1HD1 LEU 2 1HD1 LEU 2 13.582 7.822 1.318 22 2HD1 LEU 2 2HD1 LEU 2 12.265 8.294 0.245 23 3HD1 LEU 2 3HD1 LEU 2 13.620 7.357 -0.383 24 1HD2 LEU 2 1HD2 LEU 2 10.105 6.286 1.019 25 2HD2 LEU 2 2HD2 LEU 2 10.670 5.405 -0.401 26 3HD2 LEU 2 3HD2 LEU 2 10.722 7.167 -0.378 27 H LYS 3 H LYS 3 11.454 3.188 1.953 28 HA LYS 3 HA LYS 3 12.400 0.413 1.309 29 1HB LYS 3 2HB LYS 3 11.927 1.170 3.747 30 2HB LYS 3 1HB LYS 3 10.227 1.147 3.275 31 1HG LYS 3 2HG LYS 3 11.699 -1.256 2.445 32 2HG LYS 3 1HG LYS 3 11.641 -1.038 4.195 33 1HD LYS 3 2HD LYS 3 9.114 -0.554 3.829 34 2HD LYS 3 1HD LYS 3 9.350 -1.322 2.260 35 1HE LYS 3 2HE LYS 3 9.663 -3.413 3.181 36 2HE LYS 3 1HE LYS 3 10.438 -2.766 4.639 37 1HZ LYS 3 1HZ LYS 3 8.486 -2.715 5.671 38 2HZ LYS 3 2HZ LYS 3 7.769 -3.477 4.333 39 3HZ LYS 3 3HZ LYS 3 7.795 -1.782 4.435 40 H LEU 4 H LEU 4 11.435 1.583 -0.870 41 HA LEU 4 HA LEU 4 8.704 1.928 -1.334 42 1HB LEU 4 2HB LEU 4 9.268 1.506 -3.631 43 2HB LEU 4 1HB LEU 4 10.708 2.198 -2.886 44 HG LEU 4 HG LEU 4 10.693 -0.686 -2.572 45 1HD1 LEU 4 1HD1 LEU 4 10.052 0.453 -5.254 46 2HD1 LEU 4 2HD1 LEU 4 9.601 -1.105 -4.560 47 3HD1 LEU 4 3HD1 LEU 4 11.232 -0.855 -5.183 48 1HD2 LEU 4 1HD2 LEU 4 12.737 0.200 -4.320 49 2HD2 LEU 4 2HD2 LEU 4 12.868 -0.119 -2.591 50 3HD2 LEU 4 3HD2 LEU 4 12.470 1.502 -3.160 51 H PHE 5 H PHE 5 10.352 -1.035 -0.537 52 HA PHE 5 HA PHE 5 8.848 -3.056 -1.681 53 1HB PHE 5 2HB PHE 5 10.168 -2.574 0.942 54 2HB PHE 5 1HB PHE 5 9.102 -3.974 0.841 55 HD1 PHE 5 HD1 PHE 5 9.409 -5.110 -1.735 56 HD2 PHE 5 HD2 PHE 5 12.399 -3.171 0.666 57 HE1 PHE 5 HE1 PHE 5 11.184 -6.374 -2.922 58 HE2 PHE 5 HE2 PHE 5 14.171 -4.435 -0.523 59 HZ PHE 5 HZ PHE 5 13.564 -6.036 -2.315 60 H LYS 6 H LYS 6 7.901 -0.852 0.841 61 HA LYS 6 HA LYS 6 5.439 -2.156 1.605 62 1HB LYS 6 2HB LYS 6 6.601 -0.567 3.038 63 2HB LYS 6 1HB LYS 6 6.464 0.694 1.812 64 1HG LYS 6 2HG LYS 6 4.549 1.302 2.847 65 2HG LYS 6 1HG LYS 6 3.841 -0.159 2.156 66 1HD LYS 6 2HD LYS 6 3.420 -0.260 4.512 67 2HD LYS 6 1HD LYS 6 4.720 -1.407 4.193 68 1HE LYS 6 2HE LYS 6 5.942 -0.314 5.763 69 2HE LYS 6 1HE LYS 6 6.009 1.063 4.647 70 1HZ LYS 6 1HZ LYS 6 4.394 2.146 5.744 71 2HZ LYS 6 2HZ LYS 6 4.801 1.131 7.043 72 3HZ LYS 6 3HZ LYS 6 3.490 0.742 6.036 73 H LYS 7 H LYS 7 6.340 -0.026 -1.030 74 HA LYS 7 HA LYS 7 3.909 1.181 -1.722 75 1HB LYS 7 2HB LYS 7 6.362 1.124 -2.741 76 2HB LYS 7 1HB LYS 7 5.635 -0.064 -3.826 77 1HG LYS 7 2HG LYS 7 4.913 1.702 -5.036 78 2HG LYS 7 1HG LYS 7 3.742 1.958 -3.743 79 1HD LYS 7 2HD LYS 7 4.719 3.929 -3.277 80 2HD LYS 7 1HD LYS 7 6.205 3.071 -2.863 81 1HE LYS 7 2HE LYS 7 7.214 3.660 -4.820 82 2HE LYS 7 1HE LYS 7 5.750 3.331 -5.768 83 1HZ LYS 7 1HZ LYS 7 6.325 5.728 -4.115 84 2HZ LYS 7 2HZ LYS 7 4.781 5.365 -4.723 85 3HZ LYS 7 3HZ LYS 7 6.066 5.670 -5.790 86 H ILE 8 H ILE 8 4.752 -2.157 -1.787 87 HA ILE 8 HA ILE 8 2.417 -2.842 -3.510 88 HB ILE 8 HB ILE 8 4.451 -4.722 -2.293 89 1HG1 ILE 8 2HG1 ILE 8 4.717 -2.977 -4.759 90 2HG1 ILE 8 1HG1 ILE 8 5.794 -3.027 -3.362 91 1HG2 ILE 8 1HG2 ILE 8 3.179 -4.885 -5.016 92 2HG2 ILE 8 2HG2 ILE 8 2.282 -5.404 -3.589 93 3HG2 ILE 8 3HG2 ILE 8 3.806 -6.189 -4.007 94 1HD1 ILE 8 1HD1 ILE 8 5.920 -4.611 -5.733 95 2HD1 ILE 8 2HD1 ILE 8 5.542 -5.686 -4.387 96 3HD1 ILE 8 3HD1 ILE 8 6.985 -4.673 -4.329 97 H GLY 9 H GLY 9 3.308 -2.542 -0.232 98 1HA GLY 9 2HA GLY 9 1.351 -4.567 0.693 99 2HA GLY 9 1HA GLY 9 2.463 -3.666 1.724 100 H ILE 10 H ILE 10 1.476 -1.256 -0.079 101 HA ILE 10 HA ILE 10 -0.602 -0.414 1.838 102 HB ILE 10 HB ILE 10 0.591 0.989 -0.574 103 1HG1 ILE 10 2HG1 ILE 10 1.501 1.351 2.276 104 2HG1 ILE 10 1HG1 ILE 10 2.185 0.065 1.282 105 1HG2 ILE 10 1HG2 ILE 10 -1.376 1.699 1.438 106 2HG2 ILE 10 2HG2 ILE 10 -0.873 2.602 0.009 107 3HG2 ILE 10 3HG2 ILE 10 0.018 2.776 1.522 108 1HD1 ILE 10 1HD1 ILE 10 2.295 2.202 -0.434 109 2HD1 ILE 10 2HD1 ILE 10 3.636 1.665 0.578 110 3HD1 ILE 10 3HD1 ILE 10 2.593 2.979 1.122 111 H GLY 11 H GLY 11 -1.300 -2.593 -0.019 112 1HA GLY 11 2HA GLY 11 -3.133 -1.308 -1.958 113 2HA GLY 11 1HA GLY 11 -2.788 -3.036 -1.852 114 H LYS 12 H LYS 12 -3.526 -4.039 0.323 115 HA LYS 12 HA LYS 12 -6.280 -4.053 0.588 116 1HB LYS 12 2HB LYS 12 -3.961 -4.941 2.023 117 2HB LYS 12 1HB LYS 12 -5.139 -4.337 3.192 118 1HG LYS 12 2HG LYS 12 -5.902 -6.508 2.955 119 2HG LYS 12 1HG LYS 12 -6.829 -5.724 1.675 120 1HD LYS 12 2HD LYS 12 -5.878 -7.640 0.641 121 2HD LYS 12 1HD LYS 12 -4.856 -6.297 0.126 122 1HE LYS 12 2HE LYS 12 -3.073 -6.961 1.467 123 2HE LYS 12 1HE LYS 12 -4.127 -7.775 2.640 124 1HZ LYS 12 1HZ LYS 12 -3.321 -8.680 -0.054 125 2HZ LYS 12 2HZ LYS 12 -4.748 -9.260 0.662 126 3HZ LYS 12 3HZ LYS 12 -3.248 -9.527 1.414 127 H PHE 13 H PHE 13 -4.002 -1.768 2.048 128 HA PHE 13 HA PHE 13 -5.883 -0.471 3.803 129 1HB PHE 13 2HB PHE 13 -3.202 -0.448 3.416 130 2HB PHE 13 1HB PHE 13 -3.631 1.048 2.585 131 HD1 PHE 13 HD1 PHE 13 -4.741 2.892 3.791 132 HD2 PHE 13 HD2 PHE 13 -3.482 -0.684 5.810 133 HE1 PHE 13 HE1 PHE 13 -4.993 4.037 5.975 134 HE2 PHE 13 HE2 PHE 13 -3.733 0.461 7.995 135 HZ PHE 13 HZ PHE 13 -4.489 2.822 8.078 136 H LEU 14 H LEU 14 -4.629 0.419 0.570 137 HA LEU 14 HA LEU 14 -6.389 2.683 0.228 138 1HB LEU 14 2HB LEU 14 -4.350 1.164 -1.213 139 2HB LEU 14 1HB LEU 14 -5.638 1.714 -2.285 140 HG LEU 14 HG LEU 14 -3.738 3.358 -2.003 141 1HD1 LEU 14 1HD1 LEU 14 -6.185 3.911 -2.582 142 2HD1 LEU 14 2HD1 LEU 14 -5.183 5.238 -1.992 143 3HD1 LEU 14 3HD1 LEU 14 -6.331 4.450 -0.909 144 1HD2 LEU 14 1HD2 LEU 14 -4.625 4.486 0.473 145 2HD2 LEU 14 2HD2 LEU 14 -3.028 3.850 0.076 146 3HD2 LEU 14 3HD2 LEU 14 -4.261 2.782 0.747 147 H HIS 15 H HIS 15 -6.698 -0.762 -0.334 148 HA HIS 15 HA HIS 15 -8.974 -0.643 -2.123 149 1HB HIS 15 2HB HIS 15 -7.230 -2.498 -1.669 150 2HB HIS 15 1HB HIS 15 -8.231 -2.900 -0.277 151 HD1 HIS 15 HD1 HIS 15 -10.915 -3.193 -0.950 152 HD2 HIS 15 HD2 HIS 15 -8.102 -3.759 -3.974 153 HE1 HIS 15 HE1 HIS 15 -12.093 -4.466 -2.794 154 H SER 16 H SER 16 -8.687 -1.635 1.245 155 HA SER 16 HA SER 16 -11.315 -2.008 1.985 156 1HB SER 16 2HB SER 16 -9.049 -1.983 3.312 157 2HB SER 16 1HB SER 16 -9.504 -0.325 3.694 158 HG SER 16 HG SER 16 -11.183 -2.582 4.078 159 H ALA 17 H ALA 17 -9.717 1.013 1.349 160 HA ALA 17 HA ALA 17 -11.988 2.660 2.239 161 1HB ALA 17 1HB ALA 17 -10.478 4.480 1.413 162 2HB ALA 17 2HB ALA 17 -9.377 3.245 0.803 163 3HB ALA 17 3HB ALA 17 -9.668 3.388 2.536 164 H LYS 18 H LYS 18 -10.715 1.305 -0.735 165 HA LYS 18 HA LYS 18 -11.983 2.951 -2.660 166 1HB LYS 18 2HB LYS 18 -10.285 0.905 -2.721 167 2HB LYS 18 1HB LYS 18 -11.760 -0.014 -3.015 168 1HG LYS 18 2HG LYS 18 -12.278 1.695 -4.855 169 2HG LYS 18 1HG LYS 18 -10.607 2.232 -4.675 170 1HD LYS 18 2HD LYS 18 -9.772 0.023 -5.219 171 2HD LYS 18 1HD LYS 18 -11.405 -0.640 -5.215 172 1HE LYS 18 2HE LYS 18 -11.840 1.221 -7.051 173 2HE LYS 18 1HE LYS 18 -10.082 1.104 -7.266 174 1HZ LYS 18 1HZ LYS 18 -12.088 -1.069 -7.448 175 2HZ LYS 18 2HZ LYS 18 -10.430 -1.383 -7.250 176 3HZ LYS 18 3HZ LYS 18 -10.984 -0.567 -8.634 177 H LYS 19 H LYS 19 -13.279 0.525 -0.553 178 HA LYS 19 HA LYS 19 -15.958 0.861 -1.870 179 1HB LYS 19 2HB LYS 19 -14.387 -1.422 -1.666 180 2HB LYS 19 1HB LYS 19 -15.542 -1.604 -0.344 181 1HG LYS 19 2HG LYS 19 -17.202 -2.089 -1.786 182 2HG LYS 19 1HG LYS 19 -16.885 -0.620 -2.709 183 1HD LYS 19 2HD LYS 19 -14.803 -2.591 -3.153 184 2HD LYS 19 1HD LYS 19 -16.389 -3.256 -3.537 185 1HE LYS 19 2HE LYS 19 -16.485 -2.037 -5.443 186 2HE LYS 19 1HE LYS 19 -16.200 -0.540 -4.536 187 1HZ LYS 19 1HZ LYS 19 -14.102 -0.528 -5.224 188 2HZ LYS 19 2HZ LYS 19 -14.397 -1.908 -6.168 189 3HZ LYS 19 3HZ LYS 19 -13.832 -2.072 -4.577 190 H PHE 20 H PHE 20 -14.194 1.524 0.885 191 HA PHE 20 HA PHE 20 -16.644 2.039 2.438 192 1HB PHE 20 2HB PHE 20 -15.054 -0.350 2.729 193 2HB PHE 20 1HB PHE 20 -14.943 0.608 4.205 194 HD1 PHE 20 HD1 PHE 20 -16.531 -2.108 3.351 195 HD2 PHE 20 HD2 PHE 20 -17.596 1.975 4.153 196 HE1 PHE 20 HE1 PHE 20 -18.815 -2.830 3.994 197 HE2 PHE 20 HE2 PHE 20 -19.879 1.253 4.797 198 HZ PHE 20 HZ PHE 20 -20.489 -1.149 4.716 199 1HN NH2 21 1HN NH2 21 -14.027 3.381 1.328 200 2HN NH2 21 2HN NH2 21 -13.432 4.236 2.667 Start of MODEL 2 1 1H LYS 1 1H LYS 1 10.180 0.497 -14.031 2 2H LYS 1 2H LYS 1 11.824 0.922 -14.018 3 3H LYS 1 3H LYS 1 10.640 2.093 -13.687 4 HA LYS 1 HA LYS 1 10.751 -0.285 -11.964 5 1HB LYS 1 2HB LYS 1 13.012 1.229 -12.608 6 2HB LYS 1 1HB LYS 1 12.454 1.917 -11.084 7 1HG LYS 1 2HG LYS 1 12.739 -0.075 -9.918 8 2HG LYS 1 1HG LYS 1 12.571 -1.065 -11.368 9 1HD LYS 1 2HD LYS 1 14.933 0.737 -10.756 10 2HD LYS 1 1HD LYS 1 14.917 -1.017 -10.560 11 1HE LYS 1 2HE LYS 1 14.210 -1.077 -13.068 12 2HE LYS 1 1HE LYS 1 14.822 0.588 -13.114 13 1HZ LYS 1 1HZ LYS 1 16.406 -1.523 -11.806 14 2HZ LYS 1 2HZ LYS 1 16.931 -0.066 -12.506 15 3HZ LYS 1 3HZ LYS 1 16.461 -1.366 -13.494 16 H LEU 2 H LEU 2 8.566 0.280 -11.419 17 HA LEU 2 HA LEU 2 7.664 2.927 -10.794 18 1HB LEU 2 2HB LEU 2 6.757 0.165 -10.705 19 2HB LEU 2 1HB LEU 2 6.178 1.063 -9.301 20 HG LEU 2 HG LEU 2 5.200 2.768 -10.715 21 1HD1 LEU 2 1HD1 LEU 2 7.151 1.938 -12.546 22 2HD1 LEU 2 2HD1 LEU 2 5.912 3.161 -12.821 23 3HD1 LEU 2 3HD1 LEU 2 5.620 1.488 -13.296 24 1HD2 LEU 2 1HD2 LEU 2 3.644 1.031 -10.460 25 2HD2 LEU 2 2HD2 LEU 2 4.606 -0.102 -11.409 26 3HD2 LEU 2 3HD2 LEU 2 3.727 1.199 -12.214 27 H LYS 3 H LYS 3 7.327 3.885 -8.688 28 HA LYS 3 HA LYS 3 9.323 3.003 -6.659 29 1HB LYS 3 2HB LYS 3 8.580 5.441 -7.785 30 2HB LYS 3 1HB LYS 3 7.838 5.479 -6.185 31 1HG LYS 3 2HG LYS 3 9.845 5.592 -5.118 32 2HG LYS 3 1HG LYS 3 10.603 4.445 -6.224 33 1HD LYS 3 2HD LYS 3 11.592 6.151 -7.304 34 2HD LYS 3 1HD LYS 3 10.005 6.804 -7.710 35 1HE LYS 3 2HE LYS 3 9.925 8.059 -5.620 36 2HE LYS 3 1HE LYS 3 11.452 7.324 -5.088 37 1HZ LYS 3 1HZ LYS 3 12.589 8.277 -6.931 38 2HZ LYS 3 2HZ LYS 3 11.722 9.531 -6.183 39 3HZ LYS 3 3HZ LYS 3 11.146 8.838 -7.623 40 H LEU 4 H LEU 4 6.999 1.383 -6.813 41 HA LEU 4 HA LEU 4 5.375 2.247 -4.445 42 1HB LEU 4 2HB LEU 4 4.910 0.332 -6.751 43 2HB LEU 4 1HB LEU 4 3.796 0.497 -5.394 44 HG LEU 4 HG LEU 4 4.677 2.931 -6.924 45 1HD1 LEU 4 1HD1 LEU 4 2.368 1.099 -7.648 46 2HD1 LEU 4 2HD1 LEU 4 3.844 1.299 -8.593 47 3HD1 LEU 4 3HD1 LEU 4 2.729 2.653 -8.402 48 1HD2 LEU 4 1HD2 LEU 4 2.579 3.819 -6.095 49 2HD2 LEU 4 2HD2 LEU 4 3.417 3.060 -4.741 50 3HD2 LEU 4 3HD2 LEU 4 2.078 2.225 -5.528 51 H PHE 5 H PHE 5 8.062 0.526 -4.994 52 HA PHE 5 HA PHE 5 7.814 -2.084 -4.105 53 1HB PHE 5 2HB PHE 5 9.813 0.080 -3.978 54 2HB PHE 5 1HB PHE 5 10.071 -1.233 -2.829 55 HD1 PHE 5 HD1 PHE 5 9.031 -0.819 -6.415 56 HD2 PHE 5 HD2 PHE 5 11.369 -3.012 -3.557 57 HE1 PHE 5 HE1 PHE 5 9.921 -2.245 -8.238 58 HE2 PHE 5 HE2 PHE 5 12.259 -4.439 -5.379 59 HZ PHE 5 HZ PHE 5 11.535 -4.055 -7.720 60 H LYS 6 H LYS 6 8.106 0.763 -2.039 61 HA LYS 6 HA LYS 6 7.671 -0.808 0.402 62 1HB LYS 6 2HB LYS 6 7.730 2.195 0.010 63 2HB LYS 6 1HB LYS 6 8.110 1.297 1.482 64 1HG LYS 6 2HG LYS 6 9.822 0.155 -0.348 65 2HG LYS 6 1HG LYS 6 9.796 1.840 -0.867 66 1HD LYS 6 2HD LYS 6 10.941 2.534 0.958 67 2HD LYS 6 1HD LYS 6 9.980 1.532 2.046 68 1HE LYS 6 2HE LYS 6 12.101 0.353 0.229 69 2HE LYS 6 1HE LYS 6 12.452 0.895 1.883 70 1HZ LYS 6 1HZ LYS 6 11.816 -1.376 2.022 71 2HZ LYS 6 2HZ LYS 6 10.454 -1.130 1.037 72 3HZ LYS 6 3HZ LYS 6 10.507 -0.468 2.600 73 H LYS 7 H LYS 7 5.656 0.795 -1.897 74 HA LYS 7 HA LYS 7 3.484 1.376 -0.001 75 1HB LYS 7 2HB LYS 7 4.021 2.760 -1.998 76 2HB LYS 7 1HB LYS 7 3.615 1.390 -3.033 77 1HG LYS 7 2HG LYS 7 1.389 1.725 -2.795 78 2HG LYS 7 1HG LYS 7 1.534 2.010 -1.060 79 1HD LYS 7 2HD LYS 7 2.762 4.236 -2.195 80 2HD LYS 7 1HD LYS 7 1.375 3.943 -3.244 81 1HE LYS 7 2HE LYS 7 0.582 3.608 -0.480 82 2HE LYS 7 1HE LYS 7 1.340 5.195 -0.706 83 1HZ LYS 7 1HZ LYS 7 -1.202 4.554 -1.433 84 2HZ LYS 7 2HZ LYS 7 -0.354 4.428 -2.898 85 3HZ LYS 7 3HZ LYS 7 -0.318 5.878 -2.015 86 H ILE 8 H ILE 8 4.620 -1.483 -1.118 87 HA ILE 8 HA ILE 8 2.179 -2.748 -2.095 88 HB ILE 8 HB ILE 8 4.819 -3.797 -1.027 89 1HG1 ILE 8 2HG1 ILE 8 4.741 -2.283 -3.115 90 2HG1 ILE 8 1HG1 ILE 8 5.545 -3.841 -3.285 91 1HG2 ILE 8 1HG2 ILE 8 3.749 -5.644 -2.820 92 2HG2 ILE 8 2HG2 ILE 8 2.364 -5.149 -1.847 93 3HG2 ILE 8 3HG2 ILE 8 3.798 -5.813 -1.065 94 1HD1 ILE 8 1HD1 ILE 8 3.563 -2.922 -4.950 95 2HD1 ILE 8 2HD1 ILE 8 2.650 -3.922 -3.821 96 3HD1 ILE 8 3HD1 ILE 8 3.983 -4.622 -4.739 97 H GLY 9 H GLY 9 4.027 -2.930 0.970 98 1HA GLY 9 2HA GLY 9 2.322 -4.696 2.355 99 2HA GLY 9 1HA GLY 9 3.306 -3.460 3.139 100 H ILE 10 H ILE 10 1.878 -1.320 1.562 101 HA ILE 10 HA ILE 10 -0.570 -1.232 3.286 102 HB ILE 10 HB ILE 10 1.015 0.969 1.919 103 1HG1 ILE 10 2HG1 ILE 10 1.542 1.380 4.480 104 2HG1 ILE 10 1HG1 ILE 10 1.185 -0.343 4.614 105 1HG2 ILE 10 1HG2 ILE 10 -0.388 1.994 4.097 106 2HG2 ILE 10 2HG2 ILE 10 -1.532 0.880 3.348 107 3HG2 ILE 10 3HG2 ILE 10 -0.826 2.189 2.400 108 1HD1 ILE 10 1HD1 ILE 10 3.597 0.864 3.721 109 2HD1 ILE 10 2HD1 ILE 10 2.861 0.085 2.321 110 3HD1 ILE 10 3HD1 ILE 10 3.205 -0.855 3.772 111 H GLY 11 H GLY 11 -0.776 -2.723 0.900 112 1HA GLY 11 2HA GLY 11 -1.999 -0.918 -1.105 113 2HA GLY 11 1HA GLY 11 -1.695 -2.643 -1.322 114 H LYS 12 H LYS 12 -2.922 -3.711 0.934 115 HA LYS 12 HA LYS 12 -5.639 -3.910 0.186 116 1HB LYS 12 2HB LYS 12 -3.850 -4.788 2.269 117 2HB LYS 12 1HB LYS 12 -5.398 -4.339 2.985 118 1HG LYS 12 2HG LYS 12 -6.095 -5.736 0.666 119 2HG LYS 12 1HG LYS 12 -4.737 -6.645 1.331 120 1HD LYS 12 2HD LYS 12 -6.908 -7.419 2.256 121 2HD LYS 12 1HD LYS 12 -5.851 -6.767 3.509 122 1HE LYS 12 2HE LYS 12 -7.224 -4.516 2.647 123 2HE LYS 12 1HE LYS 12 -8.462 -5.785 2.595 124 1HZ LYS 12 1HZ LYS 12 -8.324 -6.150 4.806 125 2HZ LYS 12 2HZ LYS 12 -7.762 -4.547 4.841 126 3HZ LYS 12 3HZ LYS 12 -6.658 -5.837 4.878 127 H PHE 13 H PHE 13 -4.013 -1.570 2.245 128 HA PHE 13 HA PHE 13 -6.237 -0.461 3.631 129 1HB PHE 13 2HB PHE 13 -3.479 -0.001 3.225 130 2HB PHE 13 1HB PHE 13 -4.281 1.510 2.803 131 HD1 PHE 13 HD1 PHE 13 -4.466 -1.172 5.430 132 HD2 PHE 13 HD2 PHE 13 -4.737 3.017 4.515 133 HE1 PHE 13 HE1 PHE 13 -4.801 -0.667 7.837 134 HE2 PHE 13 HE2 PHE 13 -5.071 3.521 6.919 135 HZ PHE 13 HZ PHE 13 -5.103 1.679 8.580 136 H LEU 14 H LEU 14 -5.134 -0.088 0.321 137 HA LEU 14 HA LEU 14 -6.685 2.297 -0.280 138 1HB LEU 14 2HB LEU 14 -5.315 0.131 -1.895 139 2HB LEU 14 1HB LEU 14 -6.121 1.505 -2.652 140 HG LEU 14 HG LEU 14 -3.808 2.103 -2.439 141 1HD1 LEU 14 1HD1 LEU 14 -4.785 3.478 0.004 142 2HD1 LEU 14 2HD1 LEU 14 -5.804 3.623 -1.428 143 3HD1 LEU 14 3HD1 LEU 14 -4.123 4.158 -1.484 144 1HD2 LEU 14 1HD2 LEU 14 -2.514 1.817 -0.467 145 2HD2 LEU 14 2HD2 LEU 14 -3.439 0.322 -0.607 146 3HD2 LEU 14 3HD2 LEU 14 -3.946 1.568 0.532 147 H HIS 15 H HIS 15 -7.082 -1.115 -1.334 148 HA HIS 15 HA HIS 15 -9.594 -0.930 -2.535 149 1HB HIS 15 2HB HIS 15 -7.954 -2.891 -2.264 150 2HB HIS 15 1HB HIS 15 -8.741 -3.178 -0.715 151 HD1 HIS 15 HD1 HIS 15 -10.981 -1.872 -3.332 152 HD2 HIS 15 HD2 HIS 15 -9.778 -5.626 -1.973 153 HE1 HIS 15 HE1 HIS 15 -12.635 -3.540 -4.276 154 H SER 16 H SER 16 -9.087 -2.047 0.770 155 HA SER 16 HA SER 16 -11.702 -1.999 1.714 156 1HB SER 16 2HB SER 16 -10.547 -1.464 3.947 157 2HB SER 16 1HB SER 16 -9.936 -2.863 3.068 158 HG SER 16 HG SER 16 -8.115 -1.801 3.361 159 H ALA 17 H ALA 17 -9.651 0.676 0.955 160 HA ALA 17 HA ALA 17 -11.362 2.660 2.326 161 1HB ALA 17 1HB ALA 17 -9.000 2.982 0.443 162 2HB ALA 17 2HB ALA 17 -8.856 2.792 2.191 163 3HB ALA 17 3HB ALA 17 -9.655 4.216 1.521 164 H LYS 18 H LYS 18 -10.901 1.252 -0.841 165 HA LYS 18 HA LYS 18 -12.322 3.345 -2.309 166 1HB LYS 18 2HB LYS 18 -10.528 1.756 -3.167 167 2HB LYS 18 1HB LYS 18 -11.735 0.472 -3.088 168 1HG LYS 18 2HG LYS 18 -13.199 1.766 -4.610 169 2HG LYS 18 1HG LYS 18 -11.967 3.024 -4.709 170 1HD LYS 18 2HD LYS 18 -11.402 1.794 -6.584 171 2HD LYS 18 1HD LYS 18 -10.421 0.959 -5.378 172 1HE LYS 18 2HE LYS 18 -11.946 -0.852 -5.218 173 2HE LYS 18 1HE LYS 18 -13.250 0.072 -5.989 174 1HZ LYS 18 1HZ LYS 18 -11.292 0.255 -7.814 175 2HZ LYS 18 2HZ LYS 18 -12.521 -0.918 -7.857 176 3HZ LYS 18 3HZ LYS 18 -11.003 -1.300 -7.199 177 H LYS 19 H LYS 19 -13.303 0.981 -0.157 178 HA LYS 19 HA LYS 19 -15.969 0.632 -1.483 179 1HB LYS 19 2HB LYS 19 -14.711 -0.936 0.789 180 2HB LYS 19 1HB LYS 19 -16.111 -1.401 -0.180 181 1HG LYS 19 2HG LYS 19 -13.366 -0.941 -1.368 182 2HG LYS 19 1HG LYS 19 -13.929 -2.524 -0.831 183 1HD LYS 19 2HD LYS 19 -15.938 -1.244 -2.480 184 2HD LYS 19 1HD LYS 19 -14.397 -1.331 -3.336 185 1HE LYS 19 2HE LYS 19 -14.337 -3.806 -2.469 186 2HE LYS 19 1HE LYS 19 -16.086 -3.585 -2.265 187 1HZ LYS 19 1HZ LYS 19 -14.540 -3.765 -4.687 188 2HZ LYS 19 2HZ LYS 19 -15.585 -2.425 -4.664 189 3HZ LYS 19 3HZ LYS 19 -16.203 -3.993 -4.448 190 H PHE 20 H PHE 20 -14.337 1.454 1.570 191 HA PHE 20 HA PHE 20 -16.863 2.786 2.474 192 1HB PHE 20 2HB PHE 20 -15.557 0.469 3.518 193 2HB PHE 20 1HB PHE 20 -15.326 1.774 4.682 194 HD1 PHE 20 HD1 PHE 20 -18.160 1.128 2.325 195 HD2 PHE 20 HD2 PHE 20 -16.868 1.372 6.414 196 HE1 PHE 20 HE1 PHE 20 -20.507 0.875 3.080 197 HE2 PHE 20 HE2 PHE 20 -19.218 1.120 7.170 198 HZ PHE 20 HZ PHE 20 -21.037 0.871 5.503 199 1HN NH2 21 1HN NH2 21 -13.628 3.159 1.667 200 2HN NH2 21 2HN NH2 21 -13.254 4.509 2.615 Start of MODEL 3 1 1H LYS 1 1H LYS 1 14.184 -1.663 -2.228 2 2H LYS 1 2H LYS 1 14.120 -3.327 -2.567 3 3H LYS 1 3H LYS 1 15.538 -2.446 -2.885 4 HA LYS 1 HA LYS 1 15.150 -3.904 -0.659 5 1HB LYS 1 2HB LYS 1 17.103 -2.545 0.130 6 2HB LYS 1 1HB LYS 1 17.246 -3.018 -1.564 7 1HG LYS 1 2HG LYS 1 17.028 -0.876 -2.317 8 2HG LYS 1 1HG LYS 1 15.848 -0.455 -1.075 9 1HD LYS 1 2HD LYS 1 17.938 0.782 -0.711 10 2HD LYS 1 1HD LYS 1 17.666 -0.360 0.606 11 1HE LYS 1 2HE LYS 1 19.808 -1.036 0.170 12 2HE LYS 1 1HE LYS 1 19.087 -1.891 -1.207 13 1HZ LYS 1 1HZ LYS 1 20.305 0.806 -1.160 14 2HZ LYS 1 2HZ LYS 1 19.243 0.332 -2.396 15 3HZ LYS 1 3HZ LYS 1 20.700 -0.507 -2.159 16 H LEU 2 H LEU 2 12.803 -3.160 -0.103 17 HA LEU 2 HA LEU 2 12.830 -0.739 1.664 18 1HB LEU 2 2HB LEU 2 10.573 -2.322 0.389 19 2HB LEU 2 1HB LEU 2 10.373 -0.847 1.334 20 HG LEU 2 HG LEU 2 12.354 -0.433 -0.731 21 1HD1 LEU 2 1HD1 LEU 2 10.032 -2.043 -1.467 22 2HD1 LEU 2 2HD1 LEU 2 11.464 -1.646 -2.417 23 3HD1 LEU 2 3HD1 LEU 2 10.099 -0.529 -2.368 24 1HD2 LEU 2 1HD2 LEU 2 9.575 0.722 -0.321 25 2HD2 LEU 2 2HD2 LEU 2 10.874 1.447 -1.267 26 3HD2 LEU 2 3HD2 LEU 2 11.035 1.302 0.482 27 H LYS 3 H LYS 3 12.991 -1.227 3.829 28 HA LYS 3 HA LYS 3 11.784 -3.810 4.772 29 1HB LYS 3 2HB LYS 3 14.395 -3.332 4.679 30 2HB LYS 3 1HB LYS 3 14.063 -2.455 6.174 31 1HG LYS 3 2HG LYS 3 12.880 -4.530 7.018 32 2HG LYS 3 1HG LYS 3 13.496 -5.375 5.598 33 1HD LYS 3 2HD LYS 3 15.672 -3.960 6.795 34 2HD LYS 3 1HD LYS 3 14.843 -4.867 8.060 35 1HE LYS 3 2HE LYS 3 16.564 -6.290 7.022 36 2HE LYS 3 1HE LYS 3 14.956 -6.910 6.597 37 1HZ LYS 3 1HZ LYS 3 16.082 -6.752 4.564 38 2HZ LYS 3 2HZ LYS 3 16.769 -5.247 4.950 39 3HZ LYS 3 3HZ LYS 3 15.109 -5.365 4.611 40 H LEU 4 H LEU 4 11.216 -0.603 4.781 41 HA LEU 4 HA LEU 4 9.903 -0.715 7.455 42 1HB LEU 4 2HB LEU 4 11.892 1.347 6.461 43 2HB LEU 4 1HB LEU 4 10.862 1.601 7.869 44 HG LEU 4 HG LEU 4 11.869 -0.819 8.501 45 1HD1 LEU 4 1HD1 LEU 4 13.261 -0.522 6.282 46 2HD1 LEU 4 2HD1 LEU 4 14.041 -1.177 7.722 47 3HD1 LEU 4 3HD1 LEU 4 14.269 0.518 7.286 48 1HD2 LEU 4 1HD2 LEU 4 12.149 0.755 10.156 49 2HD2 LEU 4 2HD2 LEU 4 12.714 1.990 9.031 50 3HD2 LEU 4 3HD2 LEU 4 13.810 0.716 9.565 51 H PHE 5 H PHE 5 8.548 -0.926 5.019 52 HA PHE 5 HA PHE 5 6.859 1.452 5.097 53 1HB PHE 5 2HB PHE 5 9.135 1.528 3.528 54 2HB PHE 5 1HB PHE 5 7.874 1.075 2.380 55 HD1 PHE 5 HD1 PHE 5 5.548 2.426 2.853 56 HD2 PHE 5 HD2 PHE 5 9.510 3.806 3.767 57 HE1 PHE 5 HE1 PHE 5 4.739 4.770 2.816 58 HE2 PHE 5 HE2 PHE 5 8.702 6.149 3.729 59 HZ PHE 5 HZ PHE 5 6.317 6.631 3.255 60 H LYS 6 H LYS 6 7.778 -1.308 3.103 61 HA LYS 6 HA LYS 6 5.009 -1.712 2.186 62 1HB LYS 6 2HB LYS 6 7.347 -2.042 0.992 63 2HB LYS 6 1HB LYS 6 7.272 -3.632 1.750 64 1HG LYS 6 2HG LYS 6 4.805 -3.608 0.764 65 2HG LYS 6 1HG LYS 6 5.518 -2.460 -0.370 66 1HD LYS 6 2HD LYS 6 5.846 -4.561 -1.406 67 2HD LYS 6 1HD LYS 6 7.403 -4.209 -0.654 68 1HE LYS 6 2HE LYS 6 5.655 -5.549 1.239 69 2HE LYS 6 1HE LYS 6 5.844 -6.514 -0.237 70 1HZ LYS 6 1HZ LYS 6 8.049 -5.273 1.326 71 2HZ LYS 6 2HZ LYS 6 8.239 -6.149 -0.116 72 3HZ LYS 6 3HZ LYS 6 7.676 -6.927 1.285 73 H LYS 7 H LYS 7 7.163 -2.998 4.629 74 HA LYS 7 HA LYS 7 5.863 -5.517 5.076 75 1HB LYS 7 2HB LYS 7 7.721 -3.670 6.513 76 2HB LYS 7 1HB LYS 7 6.974 -4.970 7.444 77 1HG LYS 7 2HG LYS 7 8.129 -5.687 4.790 78 2HG LYS 7 1HG LYS 7 9.261 -5.333 6.095 79 1HD LYS 7 2HD LYS 7 7.011 -7.364 6.190 80 2HD LYS 7 1HD LYS 7 8.734 -7.726 6.083 81 1HE LYS 7 2HE LYS 7 8.550 -6.008 8.282 82 2HE LYS 7 1HE LYS 7 7.148 -7.084 8.444 83 1HZ LYS 7 1HZ LYS 7 9.133 -8.100 9.394 84 2HZ LYS 7 2HZ LYS 7 9.940 -7.951 7.906 85 3HZ LYS 7 3HZ LYS 7 8.594 -8.977 8.046 86 H ILE 8 H ILE 8 4.735 -2.378 5.583 87 HA ILE 8 HA ILE 8 3.179 -2.915 8.011 88 HB ILE 8 HB ILE 8 3.194 -0.689 5.952 89 1HG1 ILE 8 2HG1 ILE 8 5.272 -1.230 7.412 90 2HG1 ILE 8 1HG1 ILE 8 4.692 0.432 7.393 91 1HG2 ILE 8 1HG2 ILE 8 1.970 -0.742 8.728 92 2HG2 ILE 8 2HG2 ILE 8 1.053 -0.865 7.226 93 3HG2 ILE 8 3HG2 ILE 8 1.945 0.611 7.596 94 1HD1 ILE 8 1HD1 ILE 8 5.222 -0.767 9.689 95 2HD1 ILE 8 2HD1 ILE 8 3.614 -1.455 9.462 96 3HD1 ILE 8 3HD1 ILE 8 3.821 0.295 9.548 97 H GLY 9 H GLY 9 2.633 -2.952 4.514 98 1HA GLY 9 2HA GLY 9 0.893 -4.140 3.398 99 2HA GLY 9 1HA GLY 9 0.105 -4.394 4.956 100 H ILE 10 H ILE 10 1.016 -1.583 2.918 101 HA ILE 10 HA ILE 10 -1.477 -0.205 3.768 102 HB ILE 10 HB ILE 10 1.016 0.576 2.223 103 1HG1 ILE 10 2HG1 ILE 10 0.562 2.163 4.525 104 2HG1 ILE 10 1HG1 ILE 10 0.274 0.492 5.007 105 1HG2 ILE 10 1HG2 ILE 10 0.195 2.778 1.999 106 2HG2 ILE 10 2HG2 ILE 10 -1.118 2.501 3.145 107 3HG2 ILE 10 3HG2 ILE 10 -1.179 1.773 1.540 108 1HD1 ILE 10 1HD1 ILE 10 2.642 1.022 5.301 109 2HD1 ILE 10 2HD1 ILE 10 2.755 1.552 3.622 110 3HD1 ILE 10 3HD1 ILE 10 2.458 -0.147 3.993 111 H GLY 11 H GLY 11 -0.347 -2.157 1.202 112 1HA GLY 11 2HA GLY 11 -1.615 -0.997 -1.059 113 2HA GLY 11 1HA GLY 11 -1.290 -2.720 -0.871 114 H LYS 12 H LYS 12 -2.878 -3.797 0.789 115 HA LYS 12 HA LYS 12 -5.480 -3.834 -0.233 116 1HB LYS 12 2HB LYS 12 -3.979 -4.974 1.869 117 2HB LYS 12 1HB LYS 12 -5.449 -4.346 2.614 118 1HG LYS 12 2HG LYS 12 -6.770 -5.877 1.580 119 2HG LYS 12 1HG LYS 12 -5.895 -5.736 0.055 120 1HD LYS 12 2HD LYS 12 -4.990 -7.290 2.496 121 2HD LYS 12 1HD LYS 12 -5.575 -7.978 0.980 122 1HE LYS 12 2HE LYS 12 -3.586 -6.320 0.071 123 2HE LYS 12 1HE LYS 12 -2.916 -6.868 1.622 124 1HZ LYS 12 1HZ LYS 12 -3.920 -8.529 -0.619 125 2HZ LYS 12 2HZ LYS 12 -3.699 -9.153 0.946 126 3HZ LYS 12 3HZ LYS 12 -2.373 -8.543 0.077 127 H PHE 13 H PHE 13 -4.128 -1.662 2.209 128 HA PHE 13 HA PHE 13 -6.431 -0.610 3.409 129 1HB PHE 13 2HB PHE 13 -3.671 0.121 2.928 130 2HB PHE 13 1HB PHE 13 -4.699 1.549 2.838 131 HD1 PHE 13 HD1 PHE 13 -2.966 -0.645 5.012 132 HD2 PHE 13 HD2 PHE 13 -6.509 1.768 4.747 133 HE1 PHE 13 HE1 PHE 13 -3.126 -0.608 7.486 134 HE2 PHE 13 HE2 PHE 13 -6.670 1.804 7.223 135 HZ PHE 13 HZ PHE 13 -4.976 0.618 8.593 136 H LEU 14 H LEU 14 -5.267 -0.245 0.138 137 HA LEU 14 HA LEU 14 -6.796 2.101 -0.582 138 1HB LEU 14 2HB LEU 14 -4.777 0.876 -1.706 139 2HB LEU 14 1HB LEU 14 -6.020 -0.123 -2.461 140 HG LEU 14 HG LEU 14 -5.560 1.708 -3.965 141 1HD1 LEU 14 1HD1 LEU 14 -7.979 1.041 -3.476 142 2HD1 LEU 14 2HD1 LEU 14 -7.751 2.633 -4.199 143 3HD1 LEU 14 3HD1 LEU 14 -8.072 2.488 -2.471 144 1HD2 LEU 14 1HD2 LEU 14 -4.672 3.126 -1.936 145 2HD2 LEU 14 2HD2 LEU 14 -6.333 3.710 -1.858 146 3HD2 LEU 14 3HD2 LEU 14 -5.383 3.953 -3.323 147 H HIS 15 H HIS 15 -7.394 -1.410 -1.022 148 HA HIS 15 HA HIS 15 -9.886 -1.225 -2.338 149 1HB HIS 15 2HB HIS 15 -8.282 -3.207 -1.748 150 2HB HIS 15 1HB HIS 15 -9.244 -3.310 -0.278 151 HD1 HIS 15 HD1 HIS 15 -11.002 -2.232 -3.382 152 HD2 HIS 15 HD2 HIS 15 -10.364 -5.777 -1.287 153 HE1 HIS 15 HE1 HIS 15 -12.624 -3.927 -4.334 154 H SER 16 H SER 16 -9.445 -2.006 1.079 155 HA SER 16 HA SER 16 -12.045 -1.680 1.996 156 1HB SER 16 2HB SER 16 -10.339 -0.515 3.932 157 2HB SER 16 1HB SER 16 -10.870 -2.192 3.854 158 HG SER 16 HG SER 16 -8.463 -1.049 3.174 159 H ALA 17 H ALA 17 -9.619 0.818 1.523 160 HA ALA 17 HA ALA 17 -11.224 3.035 2.431 161 1HB ALA 17 1HB ALA 17 -8.838 3.238 2.325 162 2HB ALA 17 2HB ALA 17 -9.459 4.297 1.059 163 3HB ALA 17 3HB ALA 17 -8.802 2.716 0.641 164 H LYS 18 H LYS 18 -10.590 1.619 -0.784 165 HA LYS 18 HA LYS 18 -12.271 3.539 -2.185 166 1HB LYS 18 2HB LYS 18 -10.267 2.084 -2.991 167 2HB LYS 18 1HB LYS 18 -11.468 0.802 -3.162 168 1HG LYS 18 2HG LYS 18 -11.365 1.885 -5.292 169 2HG LYS 18 1HG LYS 18 -12.848 2.459 -4.526 170 1HD LYS 18 2HD LYS 18 -10.413 4.043 -3.936 171 2HD LYS 18 1HD LYS 18 -10.987 4.122 -5.603 172 1HE LYS 18 2HE LYS 18 -12.622 5.551 -4.963 173 2HE LYS 18 1HE LYS 18 -13.259 4.323 -3.850 174 1HZ LYS 18 1HZ LYS 18 -11.132 5.019 -2.499 175 2HZ LYS 18 2HZ LYS 18 -12.587 5.882 -2.346 176 3HZ LYS 18 3HZ LYS 18 -11.341 6.479 -3.335 177 H LYS 19 H LYS 19 -12.887 0.831 -0.256 178 HA LYS 19 HA LYS 19 -15.465 0.171 -1.593 179 1HB LYS 19 2HB LYS 19 -13.886 -1.615 -0.904 180 2HB LYS 19 1HB LYS 19 -13.975 -1.043 0.761 181 1HG LYS 19 2HG LYS 19 -16.514 -1.403 0.576 182 2HG LYS 19 1HG LYS 19 -16.158 -2.316 -0.891 183 1HD LYS 19 2HD LYS 19 -15.049 -4.003 0.259 184 2HD LYS 19 1HD LYS 19 -14.623 -2.946 1.605 185 1HE LYS 19 2HE LYS 19 -16.330 -4.257 2.551 186 2HE LYS 19 1HE LYS 19 -17.248 -2.855 1.966 187 1HZ LYS 19 1HZ LYS 19 -18.381 -4.298 0.718 188 2HZ LYS 19 2HZ LYS 19 -17.290 -5.562 1.028 189 3HZ LYS 19 3HZ LYS 19 -16.985 -4.462 -0.231 190 H PHE 20 H PHE 20 -14.253 2.228 0.806 191 HA PHE 20 HA PHE 20 -16.973 2.493 2.026 192 1HB PHE 20 2HB PHE 20 -14.728 1.400 3.229 193 2HB PHE 20 1HB PHE 20 -14.684 3.078 3.773 194 HD1 PHE 20 HD1 PHE 20 -16.148 -0.129 4.287 195 HD2 PHE 20 HD2 PHE 20 -16.925 4.078 4.659 196 HE1 PHE 20 HE1 PHE 20 -17.962 -0.608 5.907 197 HE2 PHE 20 HE2 PHE 20 -18.741 3.602 6.280 198 HZ PHE 20 HZ PHE 20 -19.258 1.257 6.906 199 1HN NH2 21 1HN NH2 21 -14.522 3.983 0.284 200 2HN NH2 21 2HN NH2 21 -14.792 5.591 0.736 Start of MODEL 4 1 1H LYS 1 1H LYS 1 8.727 -18.132 10.410 2 2H LYS 1 2H LYS 1 8.178 -19.564 11.142 3 3H LYS 1 3H LYS 1 8.636 -18.239 12.099 4 HA LYS 1 HA LYS 1 6.083 -18.833 11.177 5 1HB LYS 1 2HB LYS 1 7.395 -17.373 13.117 6 2HB LYS 1 1HB LYS 1 6.666 -16.103 12.134 7 1HG LYS 1 2HG LYS 1 4.571 -16.624 12.822 8 2HG LYS 1 1HG LYS 1 4.854 -18.355 12.646 9 1HD LYS 1 2HD LYS 1 5.594 -18.598 14.817 10 2HD LYS 1 1HD LYS 1 6.239 -16.958 14.891 11 1HE LYS 1 2HE LYS 1 4.311 -16.164 15.782 12 2HE LYS 1 1HE LYS 1 3.337 -16.957 14.527 13 1HZ LYS 1 1HZ LYS 1 4.527 -18.276 16.911 14 2HZ LYS 1 2HZ LYS 1 3.660 -19.068 15.684 15 3HZ LYS 1 3HZ LYS 1 2.881 -17.936 16.684 16 H LEU 2 H LEU 2 5.324 -18.501 9.116 17 HA LEU 2 HA LEU 2 6.451 -16.416 7.382 18 1HB LEU 2 2HB LEU 2 4.880 -18.850 7.198 19 2HB LEU 2 1HB LEU 2 4.146 -17.567 6.235 20 HG LEU 2 HG LEU 2 6.325 -17.151 5.137 21 1HD1 LEU 2 1HD1 LEU 2 7.556 -19.646 6.047 22 2HD1 LEU 2 2HD1 LEU 2 7.360 -18.472 7.347 23 3HD1 LEU 2 3HD1 LEU 2 8.263 -18.038 5.895 24 1HD2 LEU 2 1HD2 LEU 2 6.070 -18.876 3.626 25 2HD2 LEU 2 2HD2 LEU 2 4.578 -19.100 4.538 26 3HD2 LEU 2 3HD2 LEU 2 5.984 -20.107 4.887 27 H LYS 3 H LYS 3 5.644 -14.381 7.230 28 HA LYS 3 HA LYS 3 2.809 -13.871 8.059 29 1HB LYS 3 2HB LYS 3 5.405 -12.774 8.990 30 2HB LYS 3 1HB LYS 3 4.142 -11.574 8.714 31 1HG LYS 3 2HG LYS 3 3.063 -13.887 10.090 32 2HG LYS 3 1HG LYS 3 4.437 -13.225 10.976 33 1HD LYS 3 2HD LYS 3 3.198 -10.920 10.373 34 2HD LYS 3 1HD LYS 3 1.793 -11.987 10.380 35 1HE LYS 3 2HE LYS 3 1.813 -11.578 12.640 36 2HE LYS 3 1HE LYS 3 3.099 -12.803 12.658 37 1HZ LYS 3 1HZ LYS 3 3.613 -10.490 13.628 38 2HZ LYS 3 2HZ LYS 3 3.708 -9.990 12.006 39 3HZ LYS 3 3HZ LYS 3 4.750 -11.200 12.588 40 H LEU 4 H LEU 4 2.753 -14.158 5.564 41 HA LEU 4 HA LEU 4 3.868 -11.940 3.983 42 1HB LEU 4 2HB LEU 4 3.052 -14.610 3.611 43 2HB LEU 4 1HB LEU 4 1.944 -13.636 2.646 44 HG LEU 4 HG LEU 4 4.659 -12.656 2.381 45 1HD1 LEU 4 1HD1 LEU 4 5.658 -14.720 2.579 46 2HD1 LEU 4 2HD1 LEU 4 5.145 -14.840 0.896 47 3HD1 LEU 4 3HD1 LEU 4 4.181 -15.592 2.167 48 1HD2 LEU 4 1HD2 LEU 4 3.123 -12.039 0.715 49 2HD2 LEU 4 2HD2 LEU 4 2.441 -13.661 0.607 50 3HD2 LEU 4 3HD2 LEU 4 4.033 -13.328 -0.074 51 H PHE 5 H PHE 5 1.435 -11.737 6.056 52 HA PHE 5 HA PHE 5 -0.706 -10.769 4.291 53 1HB PHE 5 2HB PHE 5 -0.777 -11.951 6.642 54 2HB PHE 5 1HB PHE 5 -0.557 -10.312 7.249 55 HD1 PHE 5 HD1 PHE 5 -2.704 -12.370 4.982 56 HD2 PHE 5 HD2 PHE 5 -2.361 -8.802 7.350 57 HE1 PHE 5 HE1 PHE 5 -5.108 -11.885 4.601 58 HE2 PHE 5 HE2 PHE 5 -4.762 -8.318 6.968 59 HZ PHE 5 HZ PHE 5 -6.136 -9.858 5.594 60 H LYS 6 H LYS 6 1.366 -9.357 6.764 61 HA LYS 6 HA LYS 6 0.666 -6.651 6.557 62 1HB LYS 6 2HB LYS 6 3.456 -7.805 6.872 63 2HB LYS 6 1HB LYS 6 2.890 -6.247 7.474 64 1HG LYS 6 2HG LYS 6 1.142 -8.372 8.378 65 2HG LYS 6 1HG LYS 6 2.813 -8.707 8.836 66 1HD LYS 6 2HD LYS 6 2.563 -7.244 10.530 67 2HD LYS 6 1HD LYS 6 2.461 -5.963 9.321 68 1HE LYS 6 2HE LYS 6 -0.046 -7.495 9.707 69 2HE LYS 6 1HE LYS 6 0.457 -6.502 11.089 70 1HZ LYS 6 1HZ LYS 6 -0.603 -4.943 9.799 71 2HZ LYS 6 2HZ LYS 6 -0.150 -5.674 8.334 72 3HZ LYS 6 3HZ LYS 6 0.986 -4.782 9.229 73 H LYS 7 H LYS 7 2.536 -8.609 4.320 74 HA LYS 7 HA LYS 7 3.780 -6.471 2.850 75 1HB LYS 7 2HB LYS 7 3.620 -9.305 2.863 76 2HB LYS 7 1HB LYS 7 3.181 -8.780 1.238 77 1HG LYS 7 2HG LYS 7 5.236 -7.664 0.913 78 2HG LYS 7 1HG LYS 7 5.595 -7.639 2.639 79 1HD LYS 7 2HD LYS 7 6.842 -9.482 2.259 80 2HD LYS 7 1HD LYS 7 5.312 -10.344 2.095 81 1HE LYS 7 2HE LYS 7 6.459 -10.853 0.076 82 2HE LYS 7 1HE LYS 7 5.387 -9.516 -0.390 83 1HZ LYS 7 1HZ LYS 7 8.133 -9.096 0.647 84 2HZ LYS 7 2HZ LYS 7 7.116 -7.955 -0.093 85 3HZ LYS 7 3HZ LYS 7 7.789 -9.218 -1.009 86 H ILE 8 H ILE 8 0.538 -7.360 3.133 87 HA ILE 8 HA ILE 8 -0.152 -6.179 0.465 88 HB ILE 8 HB ILE 8 -1.836 -7.888 2.321 89 1HG1 ILE 8 2HG1 ILE 8 0.075 -8.624 0.098 90 2HG1 ILE 8 1HG1 ILE 8 0.013 -9.267 1.738 91 1HG2 ILE 8 1HG2 ILE 8 -3.465 -7.608 0.791 92 2HG2 ILE 8 2HG2 ILE 8 -2.376 -8.053 -0.523 93 3HG2 ILE 8 3HG2 ILE 8 -2.457 -6.379 0.027 94 1HD1 ILE 8 1HD1 ILE 8 -2.447 -9.970 0.985 95 2HD1 ILE 8 2HD1 ILE 8 -1.052 -10.984 0.612 96 3HD1 ILE 8 3HD1 ILE 8 -1.714 -9.907 -0.618 97 H GLY 9 H GLY 9 -0.110 -5.557 3.802 98 1HA GLY 9 2HA GLY 9 -2.488 -4.221 4.378 99 2HA GLY 9 1HA GLY 9 -0.923 -3.706 5.007 100 H ILE 10 H ILE 10 0.432 -2.694 2.956 101 HA ILE 10 HA ILE 10 -0.678 -0.148 2.457 102 HB ILE 10 HB ILE 10 1.356 -1.790 0.917 103 1HG1 ILE 10 2HG1 ILE 10 1.793 -1.452 3.361 104 2HG1 ILE 10 1HG1 ILE 10 2.987 -0.659 2.336 105 1HG2 ILE 10 1HG2 ILE 10 0.356 0.299 -0.223 106 2HG2 ILE 10 2HG2 ILE 10 2.111 0.223 -0.081 107 3HG2 ILE 10 3HG2 ILE 10 1.179 1.223 1.033 108 1HD1 ILE 10 1HD1 ILE 10 0.722 1.088 2.829 109 2HD1 ILE 10 2HD1 ILE 10 2.435 1.374 3.137 110 3HD1 ILE 10 3HD1 ILE 10 1.447 0.551 4.344 111 H GLY 11 H GLY 11 -1.316 -3.177 0.871 112 1HA GLY 11 2HA GLY 11 -2.418 -1.868 -1.536 113 2HA GLY 11 1HA GLY 11 -2.340 -3.606 -1.249 114 H LYS 12 H LYS 12 -3.634 -3.963 1.094 115 HA LYS 12 HA LYS 12 -6.397 -3.823 0.416 116 1HB LYS 12 2HB LYS 12 -4.658 -4.767 2.510 117 2HB LYS 12 1HB LYS 12 -6.081 -4.013 3.229 118 1HG LYS 12 2HG LYS 12 -7.520 -5.580 2.362 119 2HG LYS 12 1HG LYS 12 -6.548 -5.821 0.909 120 1HD LYS 12 2HD LYS 12 -6.052 -7.799 1.973 121 2HD LYS 12 1HD LYS 12 -4.817 -6.786 2.720 122 1HE LYS 12 2HE LYS 12 -5.878 -7.871 4.558 123 2HE LYS 12 1HE LYS 12 -6.634 -6.266 4.515 124 1HZ LYS 12 1HZ LYS 12 -8.279 -8.086 4.597 125 2HZ LYS 12 2HZ LYS 12 -7.689 -8.667 3.114 126 3HZ LYS 12 3HZ LYS 12 -8.426 -7.139 3.199 127 H PHE 13 H PHE 13 -4.312 -1.510 2.033 128 HA PHE 13 HA PHE 13 -6.314 -0.015 3.436 129 1HB PHE 13 2HB PHE 13 -3.503 0.221 2.588 130 2HB PHE 13 1HB PHE 13 -4.328 1.772 2.752 131 HD1 PHE 13 HD1 PHE 13 -3.496 2.650 4.782 132 HD2 PHE 13 HD2 PHE 13 -4.929 -1.396 4.634 133 HE1 PHE 13 HE1 PHE 13 -3.307 2.493 7.250 134 HE2 PHE 13 HE2 PHE 13 -4.736 -1.556 7.103 135 HZ PHE 13 HZ PHE 13 -3.925 0.390 8.410 136 H LEU 14 H LEU 14 -4.862 0.449 0.195 137 HA LEU 14 HA LEU 14 -6.515 2.724 -0.492 138 1HB LEU 14 2HB LEU 14 -4.305 1.395 -1.499 139 2HB LEU 14 1HB LEU 14 -5.557 0.995 -2.675 140 HG LEU 14 HG LEU 14 -4.380 3.079 -3.292 141 1HD1 LEU 14 1HD1 LEU 14 -6.353 4.446 -3.653 142 2HD1 LEU 14 2HD1 LEU 14 -7.204 3.636 -2.339 143 3HD1 LEU 14 3HD1 LEU 14 -6.813 2.752 -3.814 144 1HD2 LEU 14 1HD2 LEU 14 -3.752 4.484 -1.649 145 2HD2 LEU 14 2HD2 LEU 14 -4.716 3.590 -0.474 146 3HD2 LEU 14 3HD2 LEU 14 -5.447 4.899 -1.404 147 H HIS 15 H HIS 15 -6.964 -0.715 -0.508 148 HA HIS 15 HA HIS 15 -9.237 -0.719 -2.357 149 1HB HIS 15 2HB HIS 15 -7.423 -2.525 -1.820 150 2HB HIS 15 1HB HIS 15 -8.457 -2.900 -0.441 151 HD1 HIS 15 HD1 HIS 15 -10.754 -1.803 -2.873 152 HD2 HIS 15 HD2 HIS 15 -8.560 -5.320 -2.424 153 HE1 HIS 15 HE1 HIS 15 -11.919 -3.559 -4.278 154 H SER 16 H SER 16 -8.935 -1.778 0.999 155 HA SER 16 HA SER 16 -11.610 -1.901 1.718 156 1HB SER 16 2HB SER 16 -10.098 -2.624 3.336 157 2HB SER 16 1HB SER 16 -9.063 -1.213 3.129 158 HG SER 16 HG SER 16 -11.693 -1.063 4.172 159 H ALA 17 H ALA 17 -9.592 0.961 1.518 160 HA ALA 17 HA ALA 17 -11.480 2.804 2.689 161 1HB ALA 17 1HB ALA 17 -9.842 4.368 2.171 162 2HB ALA 17 2HB ALA 17 -9.473 3.618 0.618 163 3HB ALA 17 3HB ALA 17 -8.882 2.889 2.112 164 H LYS 18 H LYS 18 -10.649 2.075 -0.724 165 HA LYS 18 HA LYS 18 -12.846 3.754 -1.716 166 1HB LYS 18 2HB LYS 18 -10.920 3.703 -3.075 167 2HB LYS 18 1HB LYS 18 -10.707 1.965 -2.864 168 1HG LYS 18 2HG LYS 18 -12.676 1.517 -4.236 169 2HG LYS 18 1HG LYS 18 -12.997 3.245 -4.386 170 1HD LYS 18 2HD LYS 18 -10.270 2.682 -5.149 171 2HD LYS 18 1HD LYS 18 -11.373 1.655 -6.063 172 1HE LYS 18 2HE LYS 18 -10.962 3.864 -7.184 173 2HE LYS 18 1HE LYS 18 -12.670 3.632 -6.760 174 1HZ LYS 18 1HZ LYS 18 -11.561 5.807 -6.042 175 2HZ LYS 18 2HZ LYS 18 -10.774 4.873 -4.862 176 3HZ LYS 18 3HZ LYS 18 -12.470 4.969 -4.881 177 H LYS 19 H LYS 19 -12.854 0.808 -0.234 178 HA LYS 19 HA LYS 19 -15.234 -0.096 -1.820 179 1HB LYS 19 2HB LYS 19 -13.096 -1.341 -2.310 180 2HB LYS 19 1HB LYS 19 -13.073 -1.853 -0.622 181 1HG LYS 19 2HG LYS 19 -14.419 -3.565 -1.183 182 2HG LYS 19 1HG LYS 19 -15.682 -2.387 -1.545 183 1HD LYS 19 2HD LYS 19 -15.156 -2.336 -3.832 184 2HD LYS 19 1HD LYS 19 -13.539 -2.988 -3.569 185 1HE LYS 19 2HE LYS 19 -14.674 -5.138 -2.771 186 2HE LYS 19 1HE LYS 19 -16.176 -4.468 -3.439 187 1HZ LYS 19 1HZ LYS 19 -13.615 -4.806 -4.908 188 2HZ LYS 19 2HZ LYS 19 -15.026 -4.103 -5.543 189 3HZ LYS 19 3HZ LYS 19 -15.008 -5.749 -5.120 190 H PHE 20 H PHE 20 -14.227 1.004 1.126 191 HA PHE 20 HA PHE 20 -16.422 -0.470 2.520 192 1HB PHE 20 2HB PHE 20 -13.793 -1.146 2.776 193 2HB PHE 20 1HB PHE 20 -13.949 0.047 4.066 194 HD1 PHE 20 HD1 PHE 20 -15.259 -3.167 2.752 195 HD2 PHE 20 HD2 PHE 20 -15.262 -0.391 6.032 196 HE1 PHE 20 HE1 PHE 20 -16.406 -4.847 4.174 197 HE2 PHE 20 HE2 PHE 20 -16.410 -2.069 7.452 198 HZ PHE 20 HZ PHE 20 -16.982 -4.297 6.524 199 1HN NH2 21 1HN NH2 21 -14.982 2.506 1.759 200 2HN NH2 21 2HN NH2 21 -15.633 3.439 3.010 Start of MODEL 5 1 1H LYS 1 1H LYS 1 8.436 -1.528 16.099 2 2H LYS 1 2H LYS 1 9.444 -2.561 16.994 3 3H LYS 1 3H LYS 1 8.153 -3.199 16.094 4 HA LYS 1 HA LYS 1 9.604 -1.810 14.230 5 1HB LYS 1 2HB LYS 1 11.199 -2.636 16.549 6 2HB LYS 1 1HB LYS 1 11.815 -3.292 15.033 7 1HG LYS 1 2HG LYS 1 11.902 -1.071 14.046 8 2HG LYS 1 1HG LYS 1 11.141 -0.370 15.474 9 1HD LYS 1 2HD LYS 1 13.556 -0.003 15.573 10 2HD LYS 1 1HD LYS 1 13.079 -1.131 16.843 11 1HE LYS 1 2HE LYS 1 13.702 -3.028 15.296 12 2HE LYS 1 1HE LYS 1 14.364 -1.817 14.178 13 1HZ LYS 1 1HZ LYS 1 15.393 -2.719 16.720 14 2HZ LYS 1 2HZ LYS 1 15.358 -1.028 16.560 15 3HZ LYS 1 3HZ LYS 1 16.202 -1.977 15.430 16 H LEU 2 H LEU 2 10.323 -3.321 12.546 17 HA LEU 2 HA LEU 2 10.223 -5.349 11.336 18 1HB LEU 2 2HB LEU 2 11.245 -6.035 13.653 19 2HB LEU 2 1HB LEU 2 9.653 -6.737 13.948 20 HG LEU 2 HG LEU 2 10.247 -7.588 11.377 21 1HD1 LEU 2 1HD1 LEU 2 12.739 -7.302 13.021 22 2HD1 LEU 2 2HD1 LEU 2 12.516 -7.086 11.284 23 3HD1 LEU 2 3HD1 LEU 2 12.568 -8.709 11.972 24 1HD2 LEU 2 1HD2 LEU 2 9.249 -8.843 13.338 25 2HD2 LEU 2 2HD2 LEU 2 10.893 -9.088 13.930 26 3HD2 LEU 2 3HD2 LEU 2 10.402 -9.777 12.383 27 H LYS 3 H LYS 3 8.392 -5.576 10.125 28 HA LYS 3 HA LYS 3 5.917 -6.584 11.408 29 1HB LYS 3 2HB LYS 3 6.382 -3.857 10.266 30 2HB LYS 3 1HB LYS 3 4.808 -4.603 9.993 31 1HG LYS 3 2HG LYS 3 4.542 -4.948 12.420 32 2HG LYS 3 1HG LYS 3 6.121 -4.212 12.700 33 1HD LYS 3 2HD LYS 3 4.029 -2.709 11.150 34 2HD LYS 3 1HD LYS 3 3.970 -2.726 12.912 35 1HE LYS 3 2HE LYS 3 6.667 -2.220 12.293 36 2HE LYS 3 1HE LYS 3 5.731 -1.206 11.176 37 1HZ LYS 3 1HZ LYS 3 5.796 -1.176 14.095 38 2HZ LYS 3 2HZ LYS 3 4.289 -0.905 13.360 39 3HZ LYS 3 3HZ LYS 3 5.605 0.109 13.006 40 H LEU 4 H LEU 4 7.767 -7.773 9.520 41 HA LEU 4 HA LEU 4 7.253 -7.592 6.799 42 1HB LEU 4 2HB LEU 4 8.584 -9.270 8.473 43 2HB LEU 4 1HB LEU 4 7.271 -10.326 7.954 44 HG LEU 4 HG LEU 4 8.028 -9.158 5.581 45 1HD1 LEU 4 1HD1 LEU 4 10.023 -8.306 7.124 46 2HD1 LEU 4 2HD1 LEU 4 10.320 -8.839 5.470 47 3HD1 LEU 4 3HD1 LEU 4 10.641 -9.928 6.818 48 1HD2 LEU 4 1HD2 LEU 4 7.830 -11.412 5.325 49 2HD2 LEU 4 2HD2 LEU 4 8.411 -11.737 6.958 50 3HD2 LEU 4 3HD2 LEU 4 9.562 -11.440 5.656 51 H PHE 5 H PHE 5 5.340 -9.514 9.145 52 HA PHE 5 HA PHE 5 3.432 -10.635 7.442 53 1HB PHE 5 2HB PHE 5 3.897 -10.473 10.111 54 2HB PHE 5 1HB PHE 5 2.454 -9.473 9.980 55 HD1 PHE 5 HD1 PHE 5 0.313 -10.420 9.514 56 HD2 PHE 5 HD2 PHE 5 3.850 -12.843 9.262 57 HE1 PHE 5 HE1 PHE 5 -1.094 -12.454 9.328 58 HE2 PHE 5 HE2 PHE 5 2.444 -14.877 9.074 59 HZ PHE 5 HZ PHE 5 -0.030 -14.683 9.108 60 H LYS 6 H LYS 6 3.482 -7.402 8.803 61 HA LYS 6 HA LYS 6 0.894 -6.657 7.682 62 1HB LYS 6 2HB LYS 6 2.889 -5.647 9.505 63 2HB LYS 6 1HB LYS 6 2.403 -4.374 8.383 64 1HG LYS 6 2HG LYS 6 0.000 -4.969 8.878 65 2HG LYS 6 1HG LYS 6 0.592 -6.042 10.147 66 1HD LYS 6 2HD LYS 6 1.918 -3.581 10.537 67 2HD LYS 6 1HD LYS 6 0.228 -3.180 10.227 68 1HE LYS 6 2HE LYS 6 1.334 -5.007 12.379 69 2HE LYS 6 1HE LYS 6 0.321 -3.562 12.581 70 1HZ LYS 6 1HZ LYS 6 -1.321 -5.104 12.597 71 2HZ LYS 6 2HZ LYS 6 -0.425 -6.245 11.713 72 3HZ LYS 6 3HZ LYS 6 -1.185 -4.953 10.912 73 H LYS 7 H LYS 7 3.744 -7.218 6.118 74 HA LYS 7 HA LYS 7 3.993 -4.865 4.442 75 1HB LYS 7 2HB LYS 7 4.850 -7.759 4.122 76 2HB LYS 7 1HB LYS 7 5.415 -6.437 3.101 77 1HG LYS 7 2HG LYS 7 5.717 -6.436 6.112 78 2HG LYS 7 1HG LYS 7 6.960 -7.049 5.022 79 1HD LYS 7 2HD LYS 7 7.307 -4.921 4.035 80 2HD LYS 7 1HD LYS 7 5.797 -4.283 4.687 81 1HE LYS 7 2HE LYS 7 7.341 -5.192 6.904 82 2HE LYS 7 1HE LYS 7 8.399 -4.195 5.885 83 1HZ LYS 7 1HZ LYS 7 7.295 -2.573 7.040 84 2HZ LYS 7 2HZ LYS 7 5.870 -3.483 7.197 85 3HZ LYS 7 3HZ LYS 7 6.248 -2.741 5.716 86 H ILE 8 H ILE 8 1.823 -7.490 4.547 87 HA ILE 8 HA ILE 8 1.090 -7.446 1.700 88 HB ILE 8 HB ILE 8 0.035 -8.828 4.184 89 1HG1 ILE 8 2HG1 ILE 8 1.889 -9.597 1.930 90 2HG1 ILE 8 1HG1 ILE 8 2.196 -9.661 3.663 91 1HG2 ILE 8 1HG2 ILE 8 -1.171 -10.293 2.550 92 2HG2 ILE 8 2HG2 ILE 8 -0.703 -9.184 1.262 93 3HG2 ILE 8 3HG2 ILE 8 -1.769 -8.634 2.555 94 1HD1 ILE 8 1HD1 ILE 8 0.568 -11.464 3.923 95 2HD1 ILE 8 2HD1 ILE 8 1.753 -11.917 2.699 96 3HD1 ILE 8 3HD1 ILE 8 0.150 -11.367 2.213 97 H GLY 9 H GLY 9 0.327 -5.538 4.397 98 1HA GLY 9 2HA GLY 9 -2.447 -5.006 3.456 99 2HA GLY 9 1HA GLY 9 -1.774 -4.474 4.996 100 H ILE 10 H ILE 10 0.353 -4.030 2.368 101 HA ILE 10 HA ILE 10 0.342 -1.155 2.653 102 HB ILE 10 HB ILE 10 1.507 -3.077 0.618 103 1HG1 ILE 10 2HG1 ILE 10 2.619 -1.677 3.068 104 2HG1 ILE 10 1HG1 ILE 10 2.383 -3.412 2.853 105 1HG2 ILE 10 1HG2 ILE 10 3.008 -1.195 0.006 106 2HG2 ILE 10 2HG2 ILE 10 2.084 -0.132 1.067 107 3HG2 ILE 10 3HG2 ILE 10 1.322 -0.831 -0.362 108 1HD1 ILE 10 1HD1 ILE 10 4.252 -1.684 1.207 109 2HD1 ILE 10 2HD1 ILE 10 4.024 -3.423 1.022 110 3HD1 ILE 10 3HD1 ILE 10 4.747 -2.781 2.497 111 H GLY 11 H GLY 11 -0.785 -3.330 0.040 112 1HA GLY 11 2HA GLY 11 -2.024 -1.046 -1.352 113 2HA GLY 11 1HA GLY 11 -1.975 -2.709 -1.936 114 H LYS 12 H LYS 12 -2.957 -3.645 0.781 115 HA LYS 12 HA LYS 12 -5.761 -3.728 0.152 116 1HB LYS 12 2HB LYS 12 -4.066 -5.168 1.666 117 2HB LYS 12 1HB LYS 12 -4.787 -4.174 2.933 118 1HG LYS 12 2HG LYS 12 -7.051 -4.833 1.759 119 2HG LYS 12 1HG LYS 12 -6.101 -6.180 1.131 120 1HD LYS 12 2HD LYS 12 -5.666 -7.038 3.273 121 2HD LYS 12 1HD LYS 12 -6.042 -5.508 4.064 122 1HE LYS 12 2HE LYS 12 -8.077 -7.247 2.622 123 2HE LYS 12 1HE LYS 12 -7.876 -7.161 4.384 124 1HZ LYS 12 1HZ LYS 12 -9.336 -5.465 4.176 125 2HZ LYS 12 2HZ LYS 12 -8.953 -5.178 2.544 126 3HZ LYS 12 3HZ LYS 12 -7.946 -4.578 3.775 127 H PHE 13 H PHE 13 -3.812 -1.551 2.105 128 HA PHE 13 HA PHE 13 -5.751 -0.384 3.789 129 1HB PHE 13 2HB PHE 13 -3.107 0.015 3.063 130 2HB PHE 13 1HB PHE 13 -3.888 1.496 2.512 131 HD1 PHE 13 HD1 PHE 13 -6.175 1.246 4.658 132 HD2 PHE 13 HD2 PHE 13 -1.885 1.182 4.858 133 HE1 PHE 13 HE1 PHE 13 -6.273 2.071 6.994 134 HE2 PHE 13 HE2 PHE 13 -1.982 2.007 7.195 135 HZ PHE 13 HZ PHE 13 -4.176 2.450 8.264 136 H LEU 14 H LEU 14 -5.071 0.166 0.365 137 HA LEU 14 HA LEU 14 -7.013 2.365 0.136 138 1HB LEU 14 2HB LEU 14 -5.437 0.717 -1.871 139 2HB LEU 14 1HB LEU 14 -6.356 2.170 -2.268 140 HG LEU 14 HG LEU 14 -4.462 2.466 -0.015 141 1HD1 LEU 14 1HD1 LEU 14 -3.593 1.764 -2.812 142 2HD1 LEU 14 2HD1 LEU 14 -2.945 1.186 -1.277 143 3HD1 LEU 14 3HD1 LEU 14 -2.609 2.832 -1.813 144 1HD2 LEU 14 1HD2 LEU 14 -5.589 4.418 -0.783 145 2HD2 LEU 14 2HD2 LEU 14 -5.288 4.018 -2.474 146 3HD2 LEU 14 3HD2 LEU 14 -3.958 4.548 -1.443 147 H HIS 15 H HIS 15 -6.952 -1.115 -0.308 148 HA HIS 15 HA HIS 15 -9.127 -1.530 -2.043 149 1HB HIS 15 2HB HIS 15 -7.494 -3.178 -1.035 150 2HB HIS 15 1HB HIS 15 -8.449 -3.111 0.441 151 HD1 HIS 15 HD1 HIS 15 -10.183 -4.868 0.578 152 HD2 HIS 15 HD2 HIS 15 -9.377 -3.851 -3.382 153 HE1 HIS 15 HE1 HIS 15 -11.641 -6.364 -0.856 154 H SER 16 H SER 16 -9.358 -1.874 1.454 155 HA SER 16 HA SER 16 -12.201 -1.677 1.577 156 1HB SER 16 2HB SER 16 -10.265 -2.438 3.251 157 2HB SER 16 1HB SER 16 -10.476 -0.794 3.851 158 HG SER 16 HG SER 16 -11.893 -2.786 4.550 159 H ALA 17 H ALA 17 -9.822 0.735 1.147 160 HA ALA 17 HA ALA 17 -11.311 2.952 2.329 161 1HB ALA 17 1HB ALA 17 -8.869 2.921 2.168 162 2HB ALA 17 2HB ALA 17 -9.500 4.263 1.212 163 3HB ALA 17 3HB ALA 17 -8.965 2.785 0.412 164 H LYS 18 H LYS 18 -10.957 1.549 -0.920 165 HA LYS 18 HA LYS 18 -12.521 3.714 -2.153 166 1HB LYS 18 2HB LYS 18 -10.650 2.660 -3.327 167 2HB LYS 18 1HB LYS 18 -11.426 1.082 -3.176 168 1HG LYS 18 2HG LYS 18 -12.728 1.465 -4.976 169 2HG LYS 18 1HG LYS 18 -13.239 3.030 -4.341 170 1HD LYS 18 2HD LYS 18 -12.030 3.243 -6.506 171 2HD LYS 18 1HD LYS 18 -11.197 4.077 -5.191 172 1HE LYS 18 2HE LYS 18 -9.525 2.818 -6.423 173 2HE LYS 18 1HE LYS 18 -9.800 1.958 -4.894 174 1HZ LYS 18 1HZ LYS 18 -11.428 0.563 -6.000 175 2HZ LYS 18 2HZ LYS 18 -9.929 0.447 -6.792 176 3HZ LYS 18 3HZ LYS 18 -11.179 1.383 -7.465 177 H LYS 19 H LYS 19 -13.087 0.630 -0.735 178 HA LYS 19 HA LYS 19 -15.831 0.503 -1.921 179 1HB LYS 19 2HB LYS 19 -13.770 -1.407 -1.025 180 2HB LYS 19 1HB LYS 19 -15.402 -1.823 -0.499 181 1HG LYS 19 2HG LYS 19 -14.977 -0.980 -3.344 182 2HG LYS 19 1HG LYS 19 -14.521 -2.616 -2.867 183 1HD LYS 19 2HD LYS 19 -17.130 -1.877 -1.798 184 2HD LYS 19 1HD LYS 19 -17.088 -1.754 -3.558 185 1HE LYS 19 2HE LYS 19 -15.708 -4.154 -2.812 186 2HE LYS 19 1HE LYS 19 -17.284 -4.132 -1.994 187 1HZ LYS 19 1HZ LYS 19 -17.029 -3.320 -4.822 188 2HZ LYS 19 2HZ LYS 19 -18.413 -3.842 -3.986 189 3HZ LYS 19 3HZ LYS 19 -17.202 -4.956 -4.409 190 H PHE 20 H PHE 20 -14.356 1.815 0.701 191 HA PHE 20 HA PHE 20 -16.835 1.705 2.310 192 1HB PHE 20 2HB PHE 20 -14.644 -0.032 2.738 193 2HB PHE 20 1HB PHE 20 -14.556 1.179 4.017 194 HD1 PHE 20 HD1 PHE 20 -17.084 1.854 4.895 195 HD2 PHE 20 HD2 PHE 20 -15.856 -1.937 3.287 196 HE1 PHE 20 HE1 PHE 20 -18.957 0.743 6.081 197 HE2 PHE 20 HE2 PHE 20 -17.729 -3.046 4.475 198 HZ PHE 20 HZ PHE 20 -19.279 -1.706 5.873 199 1HN NH2 21 1HN NH2 21 -13.494 2.936 1.926 200 2HN NH2 21 2HN NH2 21 -13.778 4.436 2.665 Start of MODEL 6 1 1H LYS 1 1H LYS 1 14.249 -1.764 -11.743 2 2H LYS 1 2H LYS 1 14.343 -1.244 -13.358 3 3H LYS 1 3H LYS 1 14.016 -2.874 -13.004 4 HA LYS 1 HA LYS 1 12.110 -1.104 -13.604 5 1HB LYS 1 2HB LYS 1 10.655 -2.820 -12.443 6 2HB LYS 1 1HB LYS 1 11.882 -3.509 -13.506 7 1HG LYS 1 2HG LYS 1 13.323 -3.445 -11.250 8 2HG LYS 1 1HG LYS 1 11.718 -3.549 -10.526 9 1HD LYS 1 2HD LYS 1 11.220 -5.556 -11.825 10 2HD LYS 1 1HD LYS 1 12.769 -5.432 -12.658 11 1HE LYS 1 2HE LYS 1 13.237 -7.001 -10.961 12 2HE LYS 1 1HE LYS 1 13.762 -5.480 -10.209 13 1HZ LYS 1 1HZ LYS 1 11.358 -7.068 -9.703 14 2HZ LYS 1 2HZ LYS 1 11.205 -5.377 -9.623 15 3HZ LYS 1 3HZ LYS 1 12.315 -6.180 -8.618 16 H LEU 2 H LEU 2 10.574 0.175 -12.469 17 HA LEU 2 HA LEU 2 11.471 1.676 -10.234 18 1HB LEU 2 2HB LEU 2 9.071 1.329 -11.882 19 2HB LEU 2 1HB LEU 2 8.700 1.830 -10.231 20 HG LEU 2 HG LEU 2 10.979 3.253 -11.449 21 1HD1 LEU 2 1HD1 LEU 2 9.976 3.811 -13.388 22 2HD1 LEU 2 2HD1 LEU 2 8.724 4.621 -12.447 23 3HD1 LEU 2 3HD1 LEU 2 8.513 2.938 -12.930 24 1HD2 LEU 2 1HD2 LEU 2 9.630 3.654 -9.238 25 2HD2 LEU 2 2HD2 LEU 2 8.468 4.448 -10.300 26 3HD2 LEU 2 3HD2 LEU 2 10.125 5.045 -10.202 27 H LYS 3 H LYS 3 9.600 1.771 -8.292 28 HA LYS 3 HA LYS 3 9.891 -0.869 -6.944 29 1HB LYS 3 2HB LYS 3 9.344 1.976 -6.066 30 2HB LYS 3 1HB LYS 3 9.227 0.615 -4.951 31 1HG LYS 3 2HG LYS 3 11.673 1.488 -6.511 32 2HG LYS 3 1HG LYS 3 11.457 1.533 -4.760 33 1HD LYS 3 2HD LYS 3 10.985 -1.058 -5.090 34 2HD LYS 3 1HD LYS 3 11.944 -0.816 -6.550 35 1HE LYS 3 2HE LYS 3 13.108 0.467 -4.164 36 2HE LYS 3 1HE LYS 3 13.015 -1.300 -4.054 37 1HZ LYS 3 1HZ LYS 3 13.759 -0.679 -6.664 38 2HZ LYS 3 2HZ LYS 3 14.708 -1.419 -5.466 39 3HZ LYS 3 3HZ LYS 3 14.735 0.268 -5.653 40 H LEU 4 H LEU 4 7.772 -0.203 -9.020 41 HA LEU 4 HA LEU 4 5.223 0.306 -8.046 42 1HB LEU 4 2HB LEU 4 6.460 -1.343 -10.173 43 2HB LEU 4 1HB LEU 4 4.789 -1.757 -9.780 44 HG LEU 4 HG LEU 4 4.242 0.709 -9.969 45 1HD1 LEU 4 1HD1 LEU 4 5.812 2.180 -11.032 46 2HD1 LEU 4 2HD1 LEU 4 6.916 0.850 -11.382 47 3HD1 LEU 4 3HD1 LEU 4 6.683 1.387 -9.719 48 1HD2 LEU 4 1HD2 LEU 4 3.495 -0.004 -11.973 49 2HD2 LEU 4 2HD2 LEU 4 4.744 -1.248 -12.030 50 3HD2 LEU 4 3HD2 LEU 4 5.078 0.367 -12.656 51 H PHE 5 H PHE 5 7.148 -2.622 -7.575 52 HA PHE 5 HA PHE 5 5.003 -4.219 -6.467 53 1HB PHE 5 2HB PHE 5 7.843 -4.378 -7.053 54 2HB PHE 5 1HB PHE 5 7.470 -5.135 -5.504 55 HD1 PHE 5 HD1 PHE 5 7.849 -7.415 -6.243 56 HD2 PHE 5 HD2 PHE 5 5.025 -4.884 -8.259 57 HE1 PHE 5 HE1 PHE 5 6.921 -9.389 -7.424 58 HE2 PHE 5 HE2 PHE 5 4.098 -6.857 -9.441 59 HZ PHE 5 HZ PHE 5 5.046 -9.110 -9.023 60 H LYS 6 H LYS 6 7.315 -1.954 -5.175 61 HA LYS 6 HA LYS 6 7.128 -2.597 -2.397 62 1HB LYS 6 2HB LYS 6 8.521 -0.861 -3.965 63 2HB LYS 6 1HB LYS 6 7.372 0.246 -3.214 64 1HG LYS 6 2HG LYS 6 8.782 -1.753 -1.483 65 2HG LYS 6 1HG LYS 6 9.665 -0.320 -2.015 66 1HD LYS 6 2HD LYS 6 6.912 -0.073 -0.813 67 2HD LYS 6 1HD LYS 6 8.341 -0.181 0.216 68 1HE LYS 6 2HE LYS 6 9.195 1.706 -1.538 69 2HE LYS 6 1HE LYS 6 7.454 2.042 -1.548 70 1HZ LYS 6 1HZ LYS 6 8.536 1.450 1.062 71 2HZ LYS 6 2HZ LYS 6 7.478 2.688 0.583 72 3HZ LYS 6 3HZ LYS 6 9.153 2.872 0.376 73 H LYS 7 H LYS 7 4.856 -1.203 -4.573 74 HA LYS 7 HA LYS 7 3.308 0.263 -2.568 75 1HB LYS 7 2HB LYS 7 2.517 -0.689 -5.336 76 2HB LYS 7 1HB LYS 7 1.856 0.689 -4.452 77 1HG LYS 7 2HG LYS 7 4.704 0.423 -5.467 78 2HG LYS 7 1HG LYS 7 3.455 1.469 -6.141 79 1HD LYS 7 2HD LYS 7 4.351 1.657 -3.259 80 2HD LYS 7 1HD LYS 7 5.098 2.600 -4.550 81 1HE LYS 7 2HE LYS 7 3.257 3.960 -4.801 82 2HE LYS 7 1HE LYS 7 2.116 2.659 -4.405 83 1HZ LYS 7 1HZ LYS 7 4.011 3.650 -2.374 84 2HZ LYS 7 2HZ LYS 7 2.522 2.861 -2.153 85 3HZ LYS 7 3HZ LYS 7 2.561 4.484 -2.654 86 H ILE 8 H ILE 8 3.721 -2.987 -3.313 87 HA ILE 8 HA ILE 8 1.147 -4.139 -3.206 88 HB ILE 8 HB ILE 8 3.859 -4.997 -2.161 89 1HG1 ILE 8 2HG1 ILE 8 3.409 -4.544 -4.660 90 2HG1 ILE 8 1HG1 ILE 8 4.094 -6.113 -4.241 91 1HG2 ILE 8 1HG2 ILE 8 2.431 -6.428 -0.977 92 2HG2 ILE 8 2HG2 ILE 8 2.732 -7.341 -2.455 93 3HG2 ILE 8 3HG2 ILE 8 1.224 -6.447 -2.261 94 1HD1 ILE 8 1HD1 ILE 8 2.198 -6.281 -5.865 95 2HD1 ILE 8 2HD1 ILE 8 1.133 -5.591 -4.640 96 3HD1 ILE 8 3HD1 ILE 8 1.897 -7.157 -4.364 97 H GLY 9 H GLY 9 3.126 -2.753 -0.644 98 1HA GLY 9 2HA GLY 9 1.614 -3.885 1.552 99 2HA GLY 9 1HA GLY 9 2.728 -2.521 1.665 100 H ILE 10 H ILE 10 1.421 -0.877 -0.315 101 HA ILE 10 HA ILE 10 -0.759 0.180 1.360 102 HB ILE 10 HB ILE 10 0.327 1.134 -1.307 103 1HG1 ILE 10 2HG1 ILE 10 2.082 0.724 0.504 104 2HG1 ILE 10 1HG1 ILE 10 1.993 2.375 -0.110 105 1HG2 ILE 10 1HG2 ILE 10 -1.429 2.558 -0.949 106 2HG2 ILE 10 2HG2 ILE 10 -0.295 3.342 0.151 107 3HG2 ILE 10 3HG2 ILE 10 -1.491 2.208 0.779 108 1HD1 ILE 10 1HD1 ILE 10 2.068 1.999 2.474 109 2HD1 ILE 10 2HD1 ILE 10 0.368 1.566 2.291 110 3HD1 ILE 10 3HD1 ILE 10 0.924 3.172 1.820 111 H GLY 11 H GLY 11 -1.494 -2.320 0.313 112 1HA GLY 11 2HA GLY 11 -3.413 -1.576 -1.859 113 2HA GLY 11 1HA GLY 11 -2.753 -3.199 -1.659 114 H LYS 12 H LYS 12 -3.004 -3.371 1.179 115 HA LYS 12 HA LYS 12 -5.617 -4.394 1.495 116 1HB LYS 12 2HB LYS 12 -3.481 -3.373 3.369 117 2HB LYS 12 1HB LYS 12 -4.989 -4.046 3.991 118 1HG LYS 12 2HG LYS 12 -4.581 -6.162 2.943 119 2HG LYS 12 1HG LYS 12 -3.238 -5.509 2.004 120 1HD LYS 12 2HD LYS 12 -2.280 -6.735 3.841 121 2HD LYS 12 1HD LYS 12 -2.068 -5.020 4.195 122 1HE LYS 12 2HE LYS 12 -4.614 -6.186 5.173 123 2HE LYS 12 1HE LYS 12 -3.145 -6.777 5.978 124 1HZ LYS 12 1HZ LYS 12 -3.366 -3.912 5.394 125 2HZ LYS 12 2HZ LYS 12 -2.560 -4.696 6.669 126 3HZ LYS 12 3HZ LYS 12 -4.250 -4.525 6.704 127 H PHE 13 H PHE 13 -4.332 -1.241 2.619 128 HA PHE 13 HA PHE 13 -6.944 -0.293 3.499 129 1HB PHE 13 2HB PHE 13 -4.268 0.323 3.896 130 2HB PHE 13 1HB PHE 13 -4.857 1.692 2.950 131 HD1 PHE 13 HD1 PHE 13 -5.272 -0.220 6.088 132 HD2 PHE 13 HD2 PHE 13 -6.518 3.215 3.831 133 HE1 PHE 13 HE1 PHE 13 -6.382 0.703 8.106 134 HE2 PHE 13 HE2 PHE 13 -7.626 4.139 5.848 135 HZ PHE 13 HZ PHE 13 -7.557 2.883 7.985 136 H LEU 14 H LEU 14 -4.773 0.615 0.792 137 HA LEU 14 HA LEU 14 -6.252 2.568 -0.495 138 1HB LEU 14 2HB LEU 14 -4.126 0.842 -1.047 139 2HB LEU 14 1HB LEU 14 -5.275 0.537 -2.349 140 HG LEU 14 HG LEU 14 -4.113 3.215 -1.538 141 1HD1 LEU 14 1HD1 LEU 14 -2.747 1.623 -2.975 142 2HD1 LEU 14 2HD1 LEU 14 -3.089 3.189 -3.711 143 3HD1 LEU 14 3HD1 LEU 14 -4.013 1.767 -4.195 144 1HD2 LEU 14 1HD2 LEU 14 -5.910 4.205 -2.469 145 2HD2 LEU 14 2HD2 LEU 14 -6.659 2.623 -2.678 146 3HD2 LEU 14 3HD2 LEU 14 -5.652 3.298 -3.959 147 H HIS 15 H HIS 15 -6.721 -0.965 -0.873 148 HA HIS 15 HA HIS 15 -8.956 -0.730 -2.670 149 1HB HIS 15 2HB HIS 15 -7.287 -2.671 -2.068 150 2HB HIS 15 1HB HIS 15 -8.488 -3.054 -0.839 151 HD1 HIS 15 HD1 HIS 15 -11.085 -2.483 -2.324 152 HD2 HIS 15 HD2 HIS 15 -7.878 -4.492 -4.076 153 HE1 HIS 15 HE1 HIS 15 -12.044 -3.830 -4.243 154 H SER 16 H SER 16 -9.010 -2.039 0.608 155 HA SER 16 HA SER 16 -11.739 -1.918 1.108 156 1HB SER 16 2HB SER 16 -9.775 -1.124 3.227 157 2HB SER 16 1HB SER 16 -11.121 -2.254 3.335 158 HG SER 16 HG SER 16 -9.950 -3.726 2.145 159 H ALA 17 H ALA 17 -9.439 0.693 1.114 160 HA ALA 17 HA ALA 17 -10.960 2.682 2.491 161 1HB ALA 17 1HB ALA 17 -8.981 2.934 0.200 162 2HB ALA 17 2HB ALA 17 -8.551 2.807 1.906 163 3HB ALA 17 3HB ALA 17 -9.425 4.222 1.321 164 H LYS 18 H LYS 18 -10.743 1.872 -0.980 165 HA LYS 18 HA LYS 18 -12.831 3.802 -1.699 166 1HB LYS 18 2HB LYS 18 -11.191 1.683 -3.089 167 2HB LYS 18 1HB LYS 18 -12.496 2.516 -3.935 168 1HG LYS 18 2HG LYS 18 -10.732 4.335 -2.454 169 2HG LYS 18 1HG LYS 18 -9.899 3.437 -3.725 170 1HD LYS 18 2HD LYS 18 -10.718 5.332 -4.856 171 2HD LYS 18 1HD LYS 18 -11.924 4.096 -5.214 172 1HE LYS 18 2HE LYS 18 -13.317 4.943 -3.319 173 2HE LYS 18 1HE LYS 18 -12.130 6.240 -3.070 174 1HZ LYS 18 1HZ LYS 18 -14.009 5.843 -5.266 175 2HZ LYS 18 2HZ LYS 18 -12.466 6.417 -5.686 176 3HZ LYS 18 3HZ LYS 18 -13.429 7.286 -4.588 177 H LYS 19 H LYS 19 -12.859 0.781 -0.268 178 HA LYS 19 HA LYS 19 -15.471 0.002 -1.507 179 1HB LYS 19 2HB LYS 19 -13.572 -1.606 -1.562 180 2HB LYS 19 1HB LYS 19 -13.489 -1.545 0.199 181 1HG LYS 19 2HG LYS 19 -15.697 -2.494 0.408 182 2HG LYS 19 1HG LYS 19 -15.971 -2.364 -1.330 183 1HD LYS 19 2HD LYS 19 -13.535 -3.853 -0.602 184 2HD LYS 19 1HD LYS 19 -15.034 -4.617 -0.072 185 1HE LYS 19 2HE LYS 19 -15.708 -5.069 -2.220 186 2HE LYS 19 1HE LYS 19 -15.039 -3.551 -2.853 187 1HZ LYS 19 1HZ LYS 19 -13.453 -5.905 -1.966 188 2HZ LYS 19 2HZ LYS 19 -12.813 -4.444 -2.548 189 3HZ LYS 19 3HZ LYS 19 -13.715 -5.449 -3.577 190 H PHE 20 H PHE 20 -14.398 1.792 1.018 191 HA PHE 20 HA PHE 20 -16.622 0.889 2.819 192 1HB PHE 20 2HB PHE 20 -13.956 0.691 3.322 193 2HB PHE 20 1HB PHE 20 -14.263 2.319 3.927 194 HD1 PHE 20 HD1 PHE 20 -15.653 2.707 5.866 195 HD2 PHE 20 HD2 PHE 20 -15.139 -1.257 4.292 196 HE1 PHE 20 HE1 PHE 20 -16.669 1.760 7.920 197 HE2 PHE 20 HE2 PHE 20 -16.154 -2.205 6.346 198 HZ PHE 20 HZ PHE 20 -16.920 -0.696 8.160 199 1HN NH2 21 1HN NH2 21 -14.961 3.528 1.204 200 2HN NH2 21 2HN NH2 21 -15.978 4.766 1.741 Start of MODEL 7 1 1H LYS 1 1H LYS 1 5.706 -14.540 -6.888 2 2H LYS 1 2H LYS 1 6.186 -14.349 -8.506 3 3H LYS 1 3H LYS 1 4.549 -14.603 -8.125 4 HA LYS 1 HA LYS 1 5.244 -12.224 -8.678 5 1HB LYS 1 2HB LYS 1 3.409 -13.490 -6.912 6 2HB LYS 1 1HB LYS 1 3.954 -12.015 -6.112 7 1HG LYS 1 2HG LYS 1 3.078 -12.020 -9.002 8 2HG LYS 1 1HG LYS 1 1.929 -11.796 -7.682 9 1HD LYS 1 2HD LYS 1 4.150 -10.100 -7.154 10 2HD LYS 1 1HD LYS 1 3.704 -9.863 -8.845 11 1HE LYS 1 2HE LYS 1 1.299 -10.027 -7.264 12 2HE LYS 1 1HE LYS 1 2.381 -8.803 -6.568 13 1HZ LYS 1 1HZ LYS 1 2.211 -8.915 -9.476 14 2HZ LYS 1 2HZ LYS 1 2.366 -7.571 -8.450 15 3HZ LYS 1 3HZ LYS 1 0.850 -8.305 -8.668 16 H LEU 2 H LEU 2 6.475 -10.466 -7.975 17 HA LEU 2 HA LEU 2 8.747 -10.859 -6.319 18 1HB LEU 2 2HB LEU 2 7.191 -8.447 -7.274 19 2HB LEU 2 1HB LEU 2 8.678 -8.277 -6.338 20 HG LEU 2 HG LEU 2 8.663 -10.092 -8.726 21 1HD1 LEU 2 1HD1 LEU 2 7.825 -7.473 -8.984 22 2HD1 LEU 2 2HD1 LEU 2 8.579 -8.427 -10.261 23 3HD1 LEU 2 3HD1 LEU 2 9.561 -7.349 -9.268 24 1HD2 LEU 2 1HD2 LEU 2 11.020 -8.744 -8.702 25 2HD2 LEU 2 2HD2 LEU 2 10.749 -10.230 -7.791 26 3HD2 LEU 2 3HD2 LEU 2 10.604 -8.666 -6.991 27 H LYS 3 H LYS 3 9.162 -10.103 -4.141 28 HA LYS 3 HA LYS 3 6.706 -9.570 -2.505 29 1HB LYS 3 2HB LYS 3 9.054 -11.326 -1.736 30 2HB LYS 3 1HB LYS 3 7.511 -11.178 -0.894 31 1HG LYS 3 2HG LYS 3 6.626 -11.869 -3.359 32 2HG LYS 3 1HG LYS 3 8.183 -12.697 -3.352 33 1HD LYS 3 2HD LYS 3 7.624 -13.965 -1.421 34 2HD LYS 3 1HD LYS 3 6.251 -12.924 -1.043 35 1HE LYS 3 2HE LYS 3 6.371 -14.515 -3.618 36 2HE LYS 3 1HE LYS 3 5.672 -15.182 -2.129 37 1HZ LYS 3 1HZ LYS 3 4.643 -13.124 -3.864 38 2HZ LYS 3 2HZ LYS 3 4.641 -12.678 -2.225 39 3HZ LYS 3 3HZ LYS 3 3.830 -14.084 -2.728 40 H LEU 4 H LEU 4 8.001 -7.352 -3.162 41 HA LEU 4 HA LEU 4 9.736 -6.736 -0.793 42 1HB LEU 4 2HB LEU 4 10.256 -6.628 -3.649 43 2HB LEU 4 1HB LEU 4 10.448 -5.033 -2.920 44 HG LEU 4 HG LEU 4 11.723 -6.484 -1.055 45 1HD1 LEU 4 1HD1 LEU 4 11.185 -8.456 -2.852 46 2HD1 LEU 4 2HD1 LEU 4 12.577 -8.480 -1.771 47 3HD1 LEU 4 3HD1 LEU 4 12.761 -7.919 -3.432 48 1HD2 LEU 4 1HD2 LEU 4 12.858 -5.537 -3.707 49 2HD2 LEU 4 2HD2 LEU 4 13.836 -5.937 -2.295 50 3HD2 LEU 4 3HD2 LEU 4 12.704 -4.587 -2.229 51 H PHE 5 H PHE 5 6.768 -6.300 -1.695 52 HA PHE 5 HA PHE 5 6.717 -3.327 -1.324 53 1HB PHE 5 2HB PHE 5 5.516 -5.158 -3.178 54 2HB PHE 5 1HB PHE 5 4.240 -4.375 -2.251 55 HD1 PHE 5 HD1 PHE 5 7.106 -3.809 -4.525 56 HD2 PHE 5 HD2 PHE 5 3.815 -2.000 -2.438 57 HE1 PHE 5 HE1 PHE 5 7.387 -1.746 -5.870 58 HE2 PHE 5 HE2 PHE 5 4.098 0.063 -3.782 59 HZ PHE 5 HZ PHE 5 5.884 0.191 -5.498 60 H LYS 6 H LYS 6 5.766 -6.376 -0.065 61 HA LYS 6 HA LYS 6 3.517 -5.539 1.539 62 1HB LYS 6 2HB LYS 6 3.656 -7.741 2.405 63 2HB LYS 6 1HB LYS 6 4.300 -7.883 0.770 64 1HG LYS 6 2HG LYS 6 6.175 -8.757 1.658 65 2HG LYS 6 1HG LYS 6 6.501 -7.187 2.392 66 1HD LYS 6 2HD LYS 6 5.010 -7.872 4.314 67 2HD LYS 6 1HD LYS 6 4.953 -9.489 3.610 68 1HE LYS 6 2HE LYS 6 7.612 -8.159 4.137 69 2HE LYS 6 1HE LYS 6 6.762 -9.035 5.425 70 1HZ LYS 6 1HZ LYS 6 8.136 -10.582 4.240 71 2HZ LYS 6 2HZ LYS 6 7.497 -10.088 2.745 72 3HZ LYS 6 3HZ LYS 6 6.517 -10.913 3.860 73 H LYS 7 H LYS 7 6.734 -4.652 1.794 74 HA LYS 7 HA LYS 7 7.018 -4.757 4.702 75 1HB LYS 7 2HB LYS 7 8.500 -3.719 2.321 76 2HB LYS 7 1HB LYS 7 8.916 -3.045 3.897 77 1HG LYS 7 2HG LYS 7 8.681 -6.022 3.597 78 2HG LYS 7 1HG LYS 7 10.144 -5.213 3.035 79 1HD LYS 7 2HD LYS 7 9.124 -4.487 5.745 80 2HD LYS 7 1HD LYS 7 9.898 -6.061 5.558 81 1HE LYS 7 2HE LYS 7 11.920 -5.047 5.628 82 2HE LYS 7 1HE LYS 7 11.496 -4.135 4.165 83 1HZ LYS 7 1HZ LYS 7 10.524 -3.401 6.870 84 2HZ LYS 7 2HZ LYS 7 10.429 -2.478 5.446 85 3HZ LYS 7 3HZ LYS 7 11.933 -2.743 6.192 86 H ILE 8 H ILE 8 5.040 -2.936 2.779 87 HA ILE 8 HA ILE 8 5.248 -0.530 4.560 88 HB ILE 8 HB ILE 8 3.999 -0.628 1.813 89 1HG1 ILE 8 2HG1 ILE 8 6.928 -0.211 2.495 90 2HG1 ILE 8 1HG1 ILE 8 6.258 -1.547 1.560 91 1HG2 ILE 8 1HG2 ILE 8 3.537 1.420 2.874 92 2HG2 ILE 8 2HG2 ILE 8 4.976 1.783 1.921 93 3HG2 ILE 8 3HG2 ILE 8 5.118 1.479 3.653 94 1HD1 ILE 8 1HD1 ILE 8 6.491 1.356 0.793 95 2HD1 ILE 8 2HD1 ILE 8 5.287 0.321 0.024 96 3HD1 ILE 8 3HD1 ILE 8 7.001 -0.071 -0.109 97 H GLY 9 H GLY 9 2.977 -2.640 2.778 98 1HA GLY 9 2HA GLY 9 0.808 -3.329 3.397 99 2HA GLY 9 1HA GLY 9 1.046 -2.523 4.949 100 H ILE 10 H ILE 10 0.330 -1.865 1.521 101 HA ILE 10 HA ILE 10 -1.338 0.452 2.425 102 HB ILE 10 HB ILE 10 0.785 0.312 0.270 103 1HG1 ILE 10 2HG1 ILE 10 0.356 2.123 2.670 104 2HG1 ILE 10 1HG1 ILE 10 1.562 0.842 2.544 105 1HG2 ILE 10 1HG2 ILE 10 -0.073 2.862 0.129 106 2HG2 ILE 10 2HG2 ILE 10 -1.596 2.078 0.551 107 3HG2 ILE 10 3HG2 ILE 10 -0.724 1.587 -0.900 108 1HD1 ILE 10 1HD1 ILE 10 2.682 1.997 0.727 109 2HD1 ILE 10 2HD1 ILE 10 2.486 3.125 2.069 110 3HD1 ILE 10 3HD1 ILE 10 1.412 3.221 0.672 111 H GLY 11 H GLY 11 -0.605 -1.936 -0.097 112 1HA GLY 11 2HA GLY 11 -2.598 -1.390 -1.974 113 2HA GLY 11 1HA GLY 11 -2.054 -3.024 -1.595 114 H LYS 12 H LYS 12 -3.026 -3.857 0.596 115 HA LYS 12 HA LYS 12 -5.840 -4.081 0.323 116 1HB LYS 12 2HB LYS 12 -5.680 -5.276 2.400 117 2HB LYS 12 1HB LYS 12 -4.158 -5.551 1.551 118 1HG LYS 12 2HG LYS 12 -3.474 -3.328 2.890 119 2HG LYS 12 1HG LYS 12 -4.696 -3.946 4.003 120 1HD LYS 12 2HD LYS 12 -3.338 -5.601 4.711 121 2HD LYS 12 1HD LYS 12 -2.934 -6.064 3.056 122 1HE LYS 12 2HE LYS 12 -0.895 -5.116 3.309 123 2HE LYS 12 1HE LYS 12 -1.671 -3.547 3.603 124 1HZ LYS 12 1HZ LYS 12 -0.280 -4.760 5.474 125 2HZ LYS 12 2HZ LYS 12 -1.768 -5.535 5.744 126 3HZ LYS 12 3HZ LYS 12 -1.657 -3.842 5.843 127 H PHE 13 H PHE 13 -3.901 -1.703 2.070 128 HA PHE 13 HA PHE 13 -6.019 -0.672 3.739 129 1HB PHE 13 2HB PHE 13 -3.249 -0.106 3.020 130 2HB PHE 13 1HB PHE 13 -4.182 1.376 3.224 131 HD1 PHE 13 HD1 PHE 13 -3.346 -1.866 4.872 132 HD2 PHE 13 HD2 PHE 13 -4.795 2.146 5.378 133 HE1 PHE 13 HE1 PHE 13 -3.251 -2.144 7.336 134 HE2 PHE 13 HE2 PHE 13 -4.700 1.869 7.840 135 HZ PHE 13 HZ PHE 13 -3.927 -0.274 8.819 136 H LEU 14 H LEU 14 -4.961 -0.003 0.430 137 HA LEU 14 HA LEU 14 -6.596 2.391 0.114 138 1HB LEU 14 2HB LEU 14 -4.460 1.545 -1.138 139 2HB LEU 14 1HB LEU 14 -5.601 0.605 -2.102 140 HG LEU 14 HG LEU 14 -6.838 2.675 -2.649 141 1HD1 LEU 14 1HD1 LEU 14 -4.760 3.851 -0.818 142 2HD1 LEU 14 2HD1 LEU 14 -6.501 4.133 -0.844 143 3HD1 LEU 14 3HD1 LEU 14 -5.473 4.838 -2.093 144 1HD2 LEU 14 1HD2 LEU 14 -3.855 2.832 -3.190 145 2HD2 LEU 14 2HD2 LEU 14 -5.100 3.692 -4.097 146 3HD2 LEU 14 3HD2 LEU 14 -5.031 1.930 -4.147 147 H HIS 15 H HIS 15 -6.912 -1.042 -0.800 148 HA HIS 15 HA HIS 15 -9.330 -0.919 -2.248 149 1HB HIS 15 2HB HIS 15 -7.583 -2.802 -1.644 150 2HB HIS 15 1HB HIS 15 -8.692 -3.118 -0.317 151 HD1 HIS 15 HD1 HIS 15 -11.304 -3.451 -1.120 152 HD2 HIS 15 HD2 HIS 15 -8.361 -3.990 -4.022 153 HE1 HIS 15 HE1 HIS 15 -12.391 -4.738 -3.013 154 H SER 16 H SER 16 -8.778 -1.421 1.187 155 HA SER 16 HA SER 16 -11.341 -1.727 2.196 156 1HB SER 16 2HB SER 16 -8.775 -1.029 3.124 157 2HB SER 16 1HB SER 16 -9.860 0.209 3.754 158 HG SER 16 HG SER 16 -10.374 -1.255 5.168 159 H ALA 17 H ALA 17 -9.749 1.417 1.978 160 HA ALA 17 HA ALA 17 -12.175 2.937 2.302 161 1HB ALA 17 1HB ALA 17 -10.712 4.813 1.897 162 2HB ALA 17 2HB ALA 17 -9.550 3.790 1.053 163 3HB ALA 17 3HB ALA 17 -9.779 3.615 2.792 164 H LYS 18 H LYS 18 -11.009 1.154 -0.313 165 HA LYS 18 HA LYS 18 -11.923 2.898 -2.472 166 1HB LYS 18 2HB LYS 18 -10.079 1.075 -2.435 167 2HB LYS 18 1HB LYS 18 -11.408 -0.074 -2.594 168 1HG LYS 18 2HG LYS 18 -11.037 2.267 -4.475 169 2HG LYS 18 1HG LYS 18 -10.349 0.673 -4.784 170 1HD LYS 18 2HD LYS 18 -13.017 0.174 -4.086 171 2HD LYS 18 1HD LYS 18 -13.082 1.586 -5.143 172 1HE LYS 18 2HE LYS 18 -12.541 0.350 -6.971 173 2HE LYS 18 1HE LYS 18 -11.221 -0.469 -6.114 174 1HZ LYS 18 1HZ LYS 18 -14.077 -1.161 -6.213 175 2HZ LYS 18 2HZ LYS 18 -13.181 -1.559 -4.825 176 3HZ LYS 18 3HZ LYS 18 -12.725 -2.175 -6.341 177 H LYS 19 H LYS 19 -13.367 0.649 -0.332 178 HA LYS 19 HA LYS 19 -15.775 0.393 -2.101 179 1HB LYS 19 2HB LYS 19 -14.575 -1.255 0.130 180 2HB LYS 19 1HB LYS 19 -16.244 -1.498 -0.388 181 1HG LYS 19 2HG LYS 19 -14.061 -1.428 -2.449 182 2HG LYS 19 1HG LYS 19 -14.318 -2.898 -1.509 183 1HD LYS 19 2HD LYS 19 -16.322 -3.351 -2.511 184 2HD LYS 19 1HD LYS 19 -16.765 -1.646 -2.623 185 1HE LYS 19 2HE LYS 19 -15.316 -1.328 -4.547 186 2HE LYS 19 1HE LYS 19 -14.668 -2.972 -4.379 187 1HZ LYS 19 1HZ LYS 19 -16.753 -2.419 -5.921 188 2HZ LYS 19 2HZ LYS 19 -17.569 -2.709 -4.459 189 3HZ LYS 19 3HZ LYS 19 -16.569 -3.909 -5.130 190 H PHE 20 H PHE 20 -14.579 1.647 0.934 191 HA PHE 20 HA PHE 20 -17.161 2.996 1.415 192 1HB PHE 20 2HB PHE 20 -16.164 0.605 2.856 193 2HB PHE 20 1HB PHE 20 -16.743 1.910 3.890 194 HD1 PHE 20 HD1 PHE 20 -19.074 2.744 3.679 195 HD2 PHE 20 HD2 PHE 20 -17.669 -0.654 1.458 196 HE1 PHE 20 HE1 PHE 20 -21.417 2.095 3.189 197 HE2 PHE 20 HE2 PHE 20 -20.013 -1.302 0.967 198 HZ PHE 20 HZ PHE 20 -21.887 0.073 1.832 199 1HN NH2 21 1HN NH2 21 -13.958 2.196 2.860 200 2HN NH2 21 2HN NH2 21 -13.612 3.776 3.366 Start of MODEL 8 1 1H LYS 1 1H LYS 1 5.366 4.865 10.700 2 2H LYS 1 2H LYS 1 6.711 3.911 10.294 3 3H LYS 1 3H LYS 1 6.158 3.965 11.900 4 HA LYS 1 HA LYS 1 4.134 2.823 11.314 5 1HB LYS 1 2HB LYS 1 5.032 3.836 8.740 6 2HB LYS 1 1HB LYS 1 4.600 2.129 8.632 7 1HG LYS 1 2HG LYS 1 2.390 2.533 9.016 8 2HG LYS 1 1HG LYS 1 2.726 3.795 10.201 9 1HD LYS 1 2HD LYS 1 3.286 5.367 8.395 10 2HD LYS 1 1HD LYS 1 2.987 4.108 7.196 11 1HE LYS 1 2HE LYS 1 0.726 4.380 9.022 12 2HE LYS 1 1HE LYS 1 1.082 5.902 8.180 13 1HZ LYS 1 1HZ LYS 1 1.241 4.629 6.100 14 2HZ LYS 1 2HZ LYS 1 -0.309 4.535 6.787 15 3HZ LYS 1 3HZ LYS 1 0.765 3.226 6.924 16 H LEU 2 H LEU 2 6.223 1.838 12.629 17 HA LEU 2 HA LEU 2 7.644 -0.037 12.944 18 1HB LEU 2 2HB LEU 2 5.364 -1.078 11.232 19 2HB LEU 2 1HB LEU 2 6.487 -2.115 12.110 20 HG LEU 2 HG LEU 2 5.697 -0.342 14.063 21 1HD1 LEU 2 1HD1 LEU 2 3.450 -0.785 12.098 22 2HD1 LEU 2 2HD1 LEU 2 3.949 0.716 12.879 23 3HD1 LEU 2 3HD1 LEU 2 3.120 -0.529 13.813 24 1HD2 LEU 2 1HD2 LEU 2 5.228 -3.126 13.311 25 2HD2 LEU 2 2HD2 LEU 2 3.892 -2.462 14.252 26 3HD2 LEU 2 3HD2 LEU 2 5.530 -2.436 14.906 27 H LYS 3 H LYS 3 8.464 -2.105 11.403 28 HA LYS 3 HA LYS 3 9.488 -0.848 8.875 29 1HB LYS 3 2HB LYS 3 10.837 -2.386 11.090 30 2HB LYS 3 1HB LYS 3 11.551 -2.321 9.479 31 1HG LYS 3 2HG LYS 3 11.969 -0.041 9.604 32 2HG LYS 3 1HG LYS 3 10.666 0.241 10.758 33 1HD LYS 3 2HD LYS 3 13.106 -1.383 11.487 34 2HD LYS 3 1HD LYS 3 13.070 0.371 11.670 35 1HE LYS 3 2HE LYS 3 10.863 -1.338 12.826 36 2HE LYS 3 1HE LYS 3 12.364 -1.047 13.727 37 1HZ LYS 3 1HZ LYS 3 11.947 1.159 13.910 38 2HZ LYS 3 2HZ LYS 3 10.332 0.644 13.791 39 3HZ LYS 3 3HZ LYS 3 11.135 1.254 12.423 40 H LEU 4 H LEU 4 7.440 -3.139 9.919 41 HA LEU 4 HA LEU 4 8.194 -5.042 7.724 42 1HB LEU 4 2HB LEU 4 7.457 -6.848 9.218 43 2HB LEU 4 1HB LEU 4 8.705 -5.887 10.015 44 HG LEU 4 HG LEU 4 6.185 -4.667 10.567 45 1HD1 LEU 4 1HD1 LEU 4 6.163 -7.630 10.522 46 2HD1 LEU 4 2HD1 LEU 4 4.819 -6.493 10.433 47 3HD1 LEU 4 3HD1 LEU 4 5.535 -6.890 11.994 48 1HD2 LEU 4 1HD2 LEU 4 8.238 -4.603 11.962 49 2HD2 LEU 4 2HD2 LEU 4 8.037 -6.319 12.318 50 3HD2 LEU 4 3HD2 LEU 4 6.842 -5.153 12.889 51 H PHE 5 H PHE 5 6.373 -2.866 7.392 52 HA PHE 5 HA PHE 5 3.891 -4.384 6.847 53 1HB PHE 5 2HB PHE 5 4.302 -2.538 9.024 54 2HB PHE 5 1HB PHE 5 3.046 -1.930 7.944 55 HD1 PHE 5 HD1 PHE 5 3.643 -4.006 10.710 56 HD2 PHE 5 HD2 PHE 5 1.364 -3.836 7.073 57 HE1 PHE 5 HE1 PHE 5 2.042 -5.655 11.638 58 HE2 PHE 5 HE2 PHE 5 -0.238 -5.486 8.000 59 HZ PHE 5 HZ PHE 5 0.101 -6.395 10.282 60 H LYS 6 H LYS 6 5.827 -1.518 6.361 61 HA LYS 6 HA LYS 6 4.223 -0.012 4.612 62 1HB LYS 6 2HB LYS 6 6.312 0.965 3.931 63 2HB LYS 6 1HB LYS 6 6.511 0.482 5.616 64 1HG LYS 6 2HG LYS 6 7.579 -1.627 4.875 65 2HG LYS 6 1HG LYS 6 7.418 -1.106 3.198 66 1HD LYS 6 2HD LYS 6 8.975 0.359 5.350 67 2HD LYS 6 1HD LYS 6 9.679 -0.615 4.059 68 1HE LYS 6 2HE LYS 6 7.948 1.848 3.624 69 2HE LYS 6 1HE LYS 6 9.714 1.795 3.461 70 1HZ LYS 6 1HZ LYS 6 7.663 0.615 1.758 71 2HZ LYS 6 2HZ LYS 6 9.054 -0.324 2.024 72 3HZ LYS 6 3HZ LYS 6 9.189 1.229 1.347 73 H LYS 7 H LYS 7 5.632 -3.136 4.094 74 HA LYS 7 HA LYS 7 5.784 -3.022 1.200 75 1HB LYS 7 2HB LYS 7 6.222 -4.883 3.401 76 2HB LYS 7 1HB LYS 7 5.521 -5.676 1.991 77 1HG LYS 7 2HG LYS 7 7.916 -3.832 1.814 78 2HG LYS 7 1HG LYS 7 8.064 -5.577 2.029 79 1HD LYS 7 2HD LYS 7 6.251 -5.332 -0.066 80 2HD LYS 7 1HD LYS 7 7.426 -4.056 -0.383 81 1HE LYS 7 2HE LYS 7 9.272 -5.700 -0.187 82 2HE LYS 7 1HE LYS 7 8.082 -6.985 0.104 83 1HZ LYS 7 1HZ LYS 7 7.476 -7.015 -2.035 84 2HZ LYS 7 2HZ LYS 7 8.919 -6.174 -2.343 85 3HZ LYS 7 3HZ LYS 7 7.459 -5.323 -2.163 86 H ILE 8 H ILE 8 3.791 -5.287 2.982 87 HA ILE 8 HA ILE 8 1.770 -5.410 0.911 88 HB ILE 8 HB ILE 8 1.734 -6.358 3.792 89 1HG1 ILE 8 2HG1 ILE 8 3.742 -7.020 2.305 90 2HG1 ILE 8 1HG1 ILE 8 2.850 -8.325 3.085 91 1HG2 ILE 8 1HG2 ILE 8 0.399 -8.221 2.324 92 2HG2 ILE 8 2HG2 ILE 8 -0.010 -6.755 1.431 93 3HG2 ILE 8 3HG2 ILE 8 -0.392 -6.877 3.149 94 1HD1 ILE 8 1HD1 ILE 8 3.404 -8.193 0.391 95 2HD1 ILE 8 2HD1 ILE 8 1.761 -7.554 0.462 96 3HD1 ILE 8 3HD1 ILE 8 2.113 -9.157 1.107 97 H GLY 9 H GLY 9 2.178 -3.427 3.751 98 1HA GLY 9 2HA GLY 9 -0.552 -2.818 4.304 99 2HA GLY 9 1HA GLY 9 0.813 -1.780 4.710 100 H ILE 10 H ILE 10 1.560 -1.751 1.749 101 HA ILE 10 HA ILE 10 -0.136 0.567 1.065 102 HB ILE 10 HB ILE 10 2.189 -0.700 -0.410 103 1HG1 ILE 10 2HG1 ILE 10 2.593 -0.104 2.056 104 2HG1 ILE 10 1HG1 ILE 10 3.667 0.656 0.882 105 1HG2 ILE 10 1HG2 ILE 10 0.785 1.967 -0.500 106 2HG2 ILE 10 2HG2 ILE 10 1.180 0.884 -1.835 107 3HG2 ILE 10 3HG2 ILE 10 2.456 1.807 -1.040 108 1HD1 ILE 10 1HD1 ILE 10 2.607 2.164 2.710 109 2HD1 ILE 10 2HD1 ILE 10 1.128 2.021 1.761 110 3HD1 ILE 10 3HD1 ILE 10 2.570 2.737 1.042 111 H GLY 11 H GLY 11 -1.669 -1.798 0.958 112 1HA GLY 11 2HA GLY 11 -2.426 -1.771 -1.874 113 2HA GLY 11 1HA GLY 11 -1.819 -3.326 -1.312 114 H LYS 12 H LYS 12 -2.898 -3.557 1.202 115 HA LYS 12 HA LYS 12 -5.661 -4.203 0.604 116 1HB LYS 12 2HB LYS 12 -3.942 -5.346 2.151 117 2HB LYS 12 1HB LYS 12 -4.352 -4.094 3.325 118 1HG LYS 12 2HG LYS 12 -6.559 -4.835 3.544 119 2HG LYS 12 1HG LYS 12 -6.541 -5.657 1.985 120 1HD LYS 12 2HD LYS 12 -6.371 -7.456 3.467 121 2HD LYS 12 1HD LYS 12 -4.677 -7.137 3.094 122 1HE LYS 12 2HE LYS 12 -4.492 -7.116 5.394 123 2HE LYS 12 1HE LYS 12 -5.035 -5.438 5.198 124 1HZ LYS 12 1HZ LYS 12 -6.359 -7.153 6.693 125 2HZ LYS 12 2HZ LYS 12 -7.077 -7.530 5.200 126 3HZ LYS 12 3HZ LYS 12 -7.150 -5.944 5.806 127 H PHE 13 H PHE 13 -4.070 -1.607 2.448 128 HA PHE 13 HA PHE 13 -6.441 -0.555 3.683 129 1HB PHE 13 2HB PHE 13 -3.731 -0.136 3.766 130 2HB PHE 13 1HB PHE 13 -4.286 1.322 2.944 131 HD1 PHE 13 HD1 PHE 13 -6.994 1.631 4.141 132 HD2 PHE 13 HD2 PHE 13 -3.232 0.634 5.961 133 HE1 PHE 13 HE1 PHE 13 -7.795 2.549 6.301 134 HE2 PHE 13 HE2 PHE 13 -4.034 1.553 8.120 135 HZ PHE 13 HZ PHE 13 -6.316 2.509 8.290 136 H LEU 14 H LEU 14 -4.806 0.196 0.615 137 HA LEU 14 HA LEU 14 -6.383 2.445 -0.144 138 1HB LEU 14 2HB LEU 14 -4.390 0.666 -1.215 139 2HB LEU 14 1HB LEU 14 -5.633 0.950 -2.436 140 HG LEU 14 HG LEU 14 -5.243 3.465 -1.331 141 1HD1 LEU 14 1HD1 LEU 14 -2.990 3.840 -0.939 142 2HD1 LEU 14 2HD1 LEU 14 -2.482 2.475 -1.933 143 3HD1 LEU 14 3HD1 LEU 14 -3.142 2.195 -0.321 144 1HD2 LEU 14 1HD2 LEU 14 -4.698 4.020 -3.502 145 2HD2 LEU 14 2HD2 LEU 14 -5.323 2.397 -3.793 146 3HD2 LEU 14 3HD2 LEU 14 -3.583 2.665 -3.680 147 H HIS 15 H HIS 15 -6.882 -1.043 -0.760 148 HA HIS 15 HA HIS 15 -9.169 -0.750 -2.452 149 1HB HIS 15 2HB HIS 15 -7.555 -2.737 -1.876 150 2HB HIS 15 1HB HIS 15 -8.731 -3.068 -0.607 151 HD1 HIS 15 HD1 HIS 15 -10.870 -1.693 -2.918 152 HD2 HIS 15 HD2 HIS 15 -8.752 -5.287 -2.954 153 HE1 HIS 15 HE1 HIS 15 -12.066 -3.214 -4.551 154 H SER 16 H SER 16 -9.015 -1.707 0.945 155 HA SER 16 HA SER 16 -11.773 -1.706 1.505 156 1HB SER 16 2HB SER 16 -10.766 -1.033 3.875 157 2HB SER 16 1HB SER 16 -10.458 -2.618 3.172 158 HG SER 16 HG SER 16 -8.504 -1.732 3.774 159 H ALA 17 H ALA 17 -9.713 0.956 0.871 160 HA ALA 17 HA ALA 17 -11.277 2.966 2.309 161 1HB ALA 17 1HB ALA 17 -9.735 4.252 0.406 162 2HB ALA 17 2HB ALA 17 -8.852 2.747 0.658 163 3HB ALA 17 3HB ALA 17 -9.184 3.814 2.023 164 H LYS 18 H LYS 18 -10.994 1.839 -1.062 165 HA LYS 18 HA LYS 18 -13.005 3.771 -2.006 166 1HB LYS 18 2HB LYS 18 -10.932 2.086 -3.058 167 2HB LYS 18 1HB LYS 18 -12.439 1.714 -3.896 168 1HG LYS 18 2HG LYS 18 -11.610 4.575 -3.459 169 2HG LYS 18 1HG LYS 18 -10.953 3.652 -4.812 170 1HD LYS 18 2HD LYS 18 -12.857 3.919 -5.978 171 2HD LYS 18 1HD LYS 18 -13.803 3.239 -4.652 172 1HE LYS 18 2HE LYS 18 -14.622 5.301 -4.205 173 2HE LYS 18 1HE LYS 18 -12.973 5.875 -3.886 174 1HZ LYS 18 1HZ LYS 18 -12.686 6.561 -6.029 175 2HZ LYS 18 2HZ LYS 18 -14.358 6.829 -5.885 176 3HZ LYS 18 3HZ LYS 18 -13.782 5.435 -6.668 177 H LYS 19 H LYS 19 -13.204 0.915 -0.312 178 HA LYS 19 HA LYS 19 -15.863 0.272 -1.547 179 1HB LYS 19 2HB LYS 19 -15.352 -2.084 -1.052 180 2HB LYS 19 1HB LYS 19 -14.090 -1.380 -2.063 181 1HG LYS 19 2HG LYS 19 -12.769 -2.382 -0.457 182 2HG LYS 19 1HG LYS 19 -13.012 -0.813 0.309 183 1HD LYS 19 2HD LYS 19 -13.682 -2.102 2.077 184 2HD LYS 19 1HD LYS 19 -15.215 -2.099 1.206 185 1HE LYS 19 2HE LYS 19 -13.330 -4.171 0.277 186 2HE LYS 19 1HE LYS 19 -13.882 -4.383 1.950 187 1HZ LYS 19 1HZ LYS 19 -15.442 -4.336 -0.527 188 2HZ LYS 19 2HZ LYS 19 -16.154 -3.663 0.861 189 3HZ LYS 19 3HZ LYS 19 -15.653 -5.286 0.862 190 H PHE 20 H PHE 20 -14.424 1.525 1.164 191 HA PHE 20 HA PHE 20 -16.799 0.942 2.813 192 1HB PHE 20 2HB PHE 20 -14.334 -0.550 2.989 193 2HB PHE 20 1HB PHE 20 -14.590 0.343 4.488 194 HD1 PHE 20 HD1 PHE 20 -15.015 -2.765 3.319 195 HD2 PHE 20 HD2 PHE 20 -17.457 0.430 4.832 196 HE1 PHE 20 HE1 PHE 20 -16.737 -4.409 4.012 197 HE2 PHE 20 HE2 PHE 20 -19.179 -1.216 5.525 198 HZ PHE 20 HZ PHE 20 -18.818 -3.636 5.115 199 1HN NH2 21 1HN NH2 21 -13.548 2.448 2.606 200 2HN NH2 21 2HN NH2 21 -13.933 3.803 3.553 Start of MODEL 9 1 1H LYS 1 1H LYS 1 9.445 -3.368 -17.008 2 2H LYS 1 2H LYS 1 10.652 -2.356 -16.369 3 3H LYS 1 3H LYS 1 9.013 -2.011 -16.084 4 HA LYS 1 HA LYS 1 9.974 -4.628 -15.199 5 1HB LYS 1 2HB LYS 1 10.806 -1.927 -14.123 6 2HB LYS 1 1HB LYS 1 10.815 -3.369 -13.108 7 1HG LYS 1 2HG LYS 1 12.411 -4.463 -14.514 8 2HG LYS 1 1HG LYS 1 12.225 -3.251 -15.783 9 1HD LYS 1 2HD LYS 1 13.161 -2.469 -13.026 10 2HD LYS 1 1HD LYS 1 14.300 -3.075 -14.230 11 1HE LYS 1 2HE LYS 1 14.299 -1.090 -15.324 12 2HE LYS 1 1HE LYS 1 12.525 -1.052 -15.364 13 1HZ LYS 1 1HZ LYS 1 14.240 -0.356 -13.037 14 2HZ LYS 1 2HZ LYS 1 12.542 -0.406 -13.016 15 3HZ LYS 1 3HZ LYS 1 13.350 0.737 -13.980 16 H LEU 2 H LEU 2 9.078 -4.632 -12.722 17 HA LEU 2 HA LEU 2 6.252 -3.650 -12.902 18 1HB LEU 2 2HB LEU 2 7.434 -5.836 -11.164 19 2HB LEU 2 1HB LEU 2 5.730 -5.562 -11.526 20 HG LEU 2 HG LEU 2 7.259 -5.820 -13.973 21 1HD1 LEU 2 1HD1 LEU 2 7.375 -8.132 -12.010 22 2HD1 LEU 2 2HD1 LEU 2 8.757 -7.208 -12.600 23 3HD1 LEU 2 3HD1 LEU 2 7.832 -8.218 -13.712 24 1HD2 LEU 2 1HD2 LEU 2 4.757 -6.092 -13.530 25 2HD2 LEU 2 2HD2 LEU 2 5.148 -7.658 -12.818 26 3HD2 LEU 2 3HD2 LEU 2 5.497 -7.351 -14.519 27 H LYS 3 H LYS 3 5.437 -2.403 -11.183 28 HA LYS 3 HA LYS 3 7.307 -1.868 -8.902 29 1HB LYS 3 2HB LYS 3 6.084 -0.076 -10.936 30 2HB LYS 3 1HB LYS 3 6.125 0.535 -9.281 31 1HG LYS 3 2HG LYS 3 8.519 0.222 -9.151 32 2HG LYS 3 1HG LYS 3 8.540 -0.611 -10.706 33 1HD LYS 3 2HD LYS 3 7.358 1.688 -11.469 34 2HD LYS 3 1HD LYS 3 8.321 2.294 -10.120 35 1HE LYS 3 2HE LYS 3 9.558 0.504 -12.217 36 2HE LYS 3 1HE LYS 3 9.465 2.262 -12.443 37 1HZ LYS 3 1HZ LYS 3 10.811 0.754 -10.286 38 2HZ LYS 3 2HZ LYS 3 10.355 2.376 -10.067 39 3HZ LYS 3 3HZ LYS 3 11.455 1.957 -11.293 40 H LEU 4 H LEU 4 5.492 -3.628 -8.236 41 HA LEU 4 HA LEU 4 3.001 -2.263 -7.349 42 1HB LEU 4 2HB LEU 4 2.239 -4.555 -6.954 43 2HB LEU 4 1HB LEU 4 2.983 -4.469 -8.551 44 HG LEU 4 HG LEU 4 5.066 -5.028 -6.704 45 1HD1 LEU 4 1HD1 LEU 4 2.571 -5.993 -5.739 46 2HD1 LEU 4 2HD1 LEU 4 4.182 -6.358 -5.120 47 3HD1 LEU 4 3HD1 LEU 4 3.460 -7.384 -6.360 48 1HD2 LEU 4 1HD2 LEU 4 5.574 -6.340 -8.466 49 2HD2 LEU 4 2HD2 LEU 4 4.005 -5.955 -9.175 50 3HD2 LEU 4 3HD2 LEU 4 4.179 -7.366 -8.130 51 H PHE 5 H PHE 5 5.205 -1.288 -6.025 52 HA PHE 5 HA PHE 5 6.106 -2.629 -3.708 53 1HB PHE 5 2HB PHE 5 5.792 0.175 -4.665 54 2HB PHE 5 1HB PHE 5 6.174 -0.060 -2.960 55 HD1 PHE 5 HD1 PHE 5 8.312 -0.973 -2.258 56 HD2 PHE 5 HD2 PHE 5 7.342 -0.591 -6.425 57 HE1 PHE 5 HE1 PHE 5 10.686 -1.380 -2.848 58 HE2 PHE 5 HE2 PHE 5 9.717 -0.997 -7.013 59 HZ PHE 5 HZ PHE 5 11.389 -1.391 -5.226 60 H LYS 6 H LYS 6 3.204 -0.755 -4.262 61 HA LYS 6 HA LYS 6 2.228 -0.313 -1.684 62 1HB LYS 6 2HB LYS 6 1.065 -0.895 -4.373 63 2HB LYS 6 1HB LYS 6 -0.036 -0.901 -2.995 64 1HG LYS 6 2HG LYS 6 0.206 1.350 -2.615 65 2HG LYS 6 1HG LYS 6 1.884 1.366 -3.161 66 1HD LYS 6 2HD LYS 6 0.123 0.659 -5.346 67 2HD LYS 6 1HD LYS 6 -0.376 2.190 -4.625 68 1HE LYS 6 2HE LYS 6 1.260 2.743 -6.305 69 2HE LYS 6 1HE LYS 6 2.101 2.880 -4.748 70 1HZ LYS 6 1HZ LYS 6 2.066 0.200 -5.777 71 2HZ LYS 6 2HZ LYS 6 3.372 1.118 -5.199 72 3HZ LYS 6 3HZ LYS 6 2.866 1.277 -6.813 73 H LYS 7 H LYS 7 2.636 -3.366 -3.319 74 HA LYS 7 HA LYS 7 0.754 -4.884 -1.715 75 1HB LYS 7 2HB LYS 7 1.335 -5.764 -3.829 76 2HB LYS 7 1HB LYS 7 3.055 -5.469 -3.573 77 1HG LYS 7 2HG LYS 7 2.496 -7.878 -3.366 78 2HG LYS 7 1HG LYS 7 3.122 -7.220 -1.854 79 1HD LYS 7 2HD LYS 7 1.197 -8.519 -1.268 80 2HD LYS 7 1HD LYS 7 0.700 -6.830 -1.166 81 1HE LYS 7 2HE LYS 7 -0.072 -7.102 -3.627 82 2HE LYS 7 1HE LYS 7 0.043 -8.845 -3.321 83 1HZ LYS 7 1HZ LYS 7 -1.768 -8.789 -2.051 84 2HZ LYS 7 2HZ LYS 7 -2.035 -7.200 -2.587 85 3HZ LYS 7 3HZ LYS 7 -1.188 -7.479 -1.141 86 H ILE 8 H ILE 8 3.813 -3.550 -1.075 87 HA ILE 8 HA ILE 8 4.977 -5.511 0.652 88 HB ILE 8 HB ILE 8 5.109 -2.482 0.556 89 1HG1 ILE 8 2HG1 ILE 8 6.914 -4.658 -0.553 90 2HG1 ILE 8 1HG1 ILE 8 5.827 -3.650 -1.502 91 1HG2 ILE 8 1HG2 ILE 8 6.734 -4.525 2.084 92 2HG2 ILE 8 2HG2 ILE 8 5.922 -3.091 2.713 93 3HG2 ILE 8 3HG2 ILE 8 7.361 -2.921 1.708 94 1HD1 ILE 8 1HD1 ILE 8 8.143 -2.789 -1.583 95 2HD1 ILE 8 2HD1 ILE 8 8.140 -2.630 0.174 96 3HD1 ILE 8 3HD1 ILE 8 7.059 -1.637 -0.804 97 H GLY 9 H GLY 9 2.599 -2.932 1.247 98 1HA GLY 9 2HA GLY 9 1.463 -4.247 3.516 99 2HA GLY 9 1HA GLY 9 2.589 -3.016 4.085 100 H ILE 10 H ILE 10 2.056 -1.243 1.781 101 HA ILE 10 HA ILE 10 -0.519 -0.110 2.761 102 HB ILE 10 HB ILE 10 1.727 1.022 1.053 103 1HG1 ILE 10 2HG1 ILE 10 1.601 2.282 3.570 104 2HG1 ILE 10 1HG1 ILE 10 1.461 0.555 3.902 105 1HG2 ILE 10 1HG2 ILE 10 0.114 2.936 2.511 106 2HG2 ILE 10 2HG2 ILE 10 -0.901 1.952 1.458 107 3HG2 ILE 10 3HG2 ILE 10 0.451 2.859 0.782 108 1HD1 ILE 10 1HD1 ILE 10 3.629 1.872 2.238 109 2HD1 ILE 10 2HD1 ILE 10 3.478 0.138 2.521 110 3HD1 ILE 10 3HD1 ILE 10 3.826 1.225 3.867 111 H GLY 11 H GLY 11 -1.078 -2.262 1.214 112 1HA GLY 11 2HA GLY 11 -1.840 -1.055 -1.415 113 2HA GLY 11 1HA GLY 11 -1.267 -2.716 -1.301 114 H LYS 12 H LYS 12 -2.659 -3.568 1.006 115 HA LYS 12 HA LYS 12 -5.290 -4.033 -0.155 116 1HB LYS 12 2HB LYS 12 -5.548 -5.507 1.743 117 2HB LYS 12 1HB LYS 12 -3.883 -5.647 1.187 118 1HG LYS 12 2HG LYS 12 -3.142 -5.026 3.214 119 2HG LYS 12 1HG LYS 12 -4.019 -3.503 3.079 120 1HD LYS 12 2HD LYS 12 -5.093 -4.371 4.927 121 2HD LYS 12 1HD LYS 12 -6.093 -5.087 3.662 122 1HE LYS 12 2HE LYS 12 -3.665 -6.645 4.349 123 2HE LYS 12 1HE LYS 12 -4.901 -6.564 5.620 124 1HZ LYS 12 1HZ LYS 12 -5.155 -8.334 3.788 125 2HZ LYS 12 2HZ LYS 12 -5.662 -7.042 2.810 126 3HZ LYS 12 3HZ LYS 12 -6.519 -7.426 4.226 127 H PHE 13 H PHE 13 -3.973 -1.795 2.185 128 HA PHE 13 HA PHE 13 -6.379 -1.110 3.588 129 1HB PHE 13 2HB PHE 13 -3.742 -0.488 3.734 130 2HB PHE 13 1HB PHE 13 -4.356 0.983 2.980 131 HD1 PHE 13 HD1 PHE 13 -4.111 -0.924 6.045 132 HD2 PHE 13 HD2 PHE 13 -6.288 2.211 4.075 133 HE1 PHE 13 HE1 PHE 13 -4.988 -0.158 8.234 134 HE2 PHE 13 HE2 PHE 13 -7.167 2.978 6.264 135 HZ PHE 13 HZ PHE 13 -6.516 1.793 8.344 136 H LEU 14 H LEU 14 -4.850 0.225 0.660 137 HA LEU 14 HA LEU 14 -6.594 2.362 0.105 138 1HB LEU 14 2HB LEU 14 -4.999 0.397 -1.524 139 2HB LEU 14 1HB LEU 14 -5.980 1.615 -2.339 140 HG LEU 14 HG LEU 14 -3.970 2.281 -0.176 141 1HD1 LEU 14 1HD1 LEU 14 -2.306 2.501 -1.739 142 2HD1 LEU 14 2HD1 LEU 14 -3.431 2.932 -3.028 143 3HD1 LEU 14 3HD1 LEU 14 -3.233 1.243 -2.557 144 1HD2 LEU 14 1HD2 LEU 14 -4.818 4.360 -0.367 145 2HD2 LEU 14 2HD2 LEU 14 -6.044 3.733 -1.470 146 3HD2 LEU 14 3HD2 LEU 14 -4.517 4.345 -2.105 147 H HIS 15 H HIS 15 -6.966 -1.096 -0.695 148 HA HIS 15 HA HIS 15 -9.319 -0.996 -2.234 149 1HB HIS 15 2HB HIS 15 -7.767 -2.941 -1.572 150 2HB HIS 15 1HB HIS 15 -8.738 -3.051 -0.106 151 HD1 HIS 15 HD1 HIS 15 -11.442 -3.249 -0.598 152 HD2 HIS 15 HD2 HIS 15 -8.875 -4.324 -3.700 153 HE1 HIS 15 HE1 HIS 15 -12.810 -4.644 -2.207 154 H SER 16 H SER 16 -9.181 -1.741 1.207 155 HA SER 16 HA SER 16 -11.858 -1.602 1.895 156 1HB SER 16 2HB SER 16 -9.470 -1.791 3.200 157 2HB SER 16 1HB SER 16 -10.006 -0.199 3.729 158 HG SER 16 HG SER 16 -11.863 -2.285 3.721 159 H ALA 17 H ALA 17 -9.767 1.017 1.008 160 HA ALA 17 HA ALA 17 -11.539 3.140 1.977 161 1HB ALA 17 1HB ALA 17 -8.915 2.993 1.463 162 2HB ALA 17 2HB ALA 17 -9.794 4.515 1.319 163 3HB ALA 17 3HB ALA 17 -9.448 3.558 -0.121 164 H LYS 18 H LYS 18 -11.012 1.364 -1.023 165 HA LYS 18 HA LYS 18 -12.496 3.156 -2.737 166 1HB LYS 18 2HB LYS 18 -10.847 0.978 -3.013 167 2HB LYS 18 1HB LYS 18 -12.423 0.284 -3.398 168 1HG LYS 18 2HG LYS 18 -12.114 1.137 -5.471 169 2HG LYS 18 1HG LYS 18 -12.470 2.702 -4.741 170 1HD LYS 18 2HD LYS 18 -10.167 3.211 -4.448 171 2HD LYS 18 1HD LYS 18 -9.683 1.540 -4.739 172 1HE LYS 18 2HE LYS 18 -9.198 2.773 -6.762 173 2HE LYS 18 1HE LYS 18 -10.652 1.811 -7.095 174 1HZ LYS 18 1HZ LYS 18 -11.225 3.974 -7.738 175 2HZ LYS 18 2HZ LYS 18 -10.476 4.678 -6.385 176 3HZ LYS 18 3HZ LYS 18 -11.919 3.802 -6.201 177 H LYS 19 H LYS 19 -13.414 0.879 -0.360 178 HA LYS 19 HA LYS 19 -16.266 1.120 -1.242 179 1HB LYS 19 2HB LYS 19 -14.757 -1.127 -1.576 180 2HB LYS 19 1HB LYS 19 -15.417 -1.416 0.034 181 1HG LYS 19 2HG LYS 19 -16.875 -2.318 -1.786 182 2HG LYS 19 1HG LYS 19 -17.688 -1.107 -0.792 183 1HD LYS 19 2HD LYS 19 -17.557 0.539 -2.459 184 2HD LYS 19 1HD LYS 19 -16.240 -0.281 -3.299 185 1HE LYS 19 2HE LYS 19 -18.364 -0.551 -4.544 186 2HE LYS 19 1HE LYS 19 -17.821 -2.120 -3.915 187 1HZ LYS 19 1HZ LYS 19 -19.443 -2.172 -2.368 188 2HZ LYS 19 2HZ LYS 19 -20.246 -1.121 -3.433 189 3HZ LYS 19 3HZ LYS 19 -19.402 -0.499 -2.096 190 H PHE 20 H PHE 20 -14.096 1.826 1.118 191 HA PHE 20 HA PHE 20 -16.172 2.185 3.146 192 1HB PHE 20 2HB PHE 20 -14.881 -0.285 2.994 193 2HB PHE 20 1HB PHE 20 -14.017 0.562 4.276 194 HD1 PHE 20 HD1 PHE 20 -17.143 -1.020 3.285 195 HD2 PHE 20 HD2 PHE 20 -15.280 1.480 6.239 196 HE1 PHE 20 HE1 PHE 20 -19.029 -1.449 4.838 197 HE2 PHE 20 HE2 PHE 20 -17.166 1.051 7.793 198 HZ PHE 20 HZ PHE 20 -19.040 -0.412 7.090 199 1HN NH2 21 1HN NH2 21 -14.009 3.759 1.695 200 2HN NH2 21 2HN NH2 21 -13.052 4.440 2.917 Start of MODEL 10 1 1H LYS 1 1H LYS 1 7.954 -15.488 -6.606 2 2H LYS 1 2H LYS 1 8.741 -16.953 -6.957 3 3H LYS 1 3H LYS 1 7.133 -16.960 -6.407 4 HA LYS 1 HA LYS 1 8.168 -16.507 -9.082 5 1HB LYS 1 2HB LYS 1 5.462 -17.292 -7.955 6 2HB LYS 1 1HB LYS 1 6.073 -17.624 -9.576 7 1HG LYS 1 2HG LYS 1 7.774 -18.598 -7.352 8 2HG LYS 1 1HG LYS 1 6.219 -19.408 -7.531 9 1HD LYS 1 2HD LYS 1 7.463 -20.670 -9.006 10 2HD LYS 1 1HD LYS 1 6.929 -19.395 -10.104 11 1HE LYS 1 2HE LYS 1 9.134 -18.186 -9.187 12 2HE LYS 1 1HE LYS 1 9.638 -19.869 -8.936 13 1HZ LYS 1 1HZ LYS 1 8.526 -20.121 -11.296 14 2HZ LYS 1 2HZ LYS 1 10.152 -19.662 -11.130 15 3HZ LYS 1 3HZ LYS 1 8.962 -18.486 -11.425 16 H LEU 2 H LEU 2 6.031 -15.584 -10.430 17 HA LEU 2 HA LEU 2 6.067 -12.797 -10.288 18 1HB LEU 2 2HB LEU 2 5.103 -14.324 -12.059 19 2HB LEU 2 1HB LEU 2 3.691 -14.533 -11.024 20 HG LEU 2 HG LEU 2 4.510 -11.728 -11.508 21 1HD1 LEU 2 1HD1 LEU 2 4.877 -12.470 -13.744 22 2HD1 LEU 2 2HD1 LEU 2 3.239 -11.817 -13.734 23 3HD1 LEU 2 3HD1 LEU 2 3.492 -13.560 -13.686 24 1HD2 LEU 2 1HD2 LEU 2 2.187 -13.282 -10.765 25 2HD2 LEU 2 2HD2 LEU 2 1.802 -12.237 -12.132 26 3HD2 LEU 2 3HD2 LEU 2 2.436 -11.541 -10.642 27 H LYS 3 H LYS 3 5.934 -12.116 -8.042 28 HA LYS 3 HA LYS 3 3.147 -12.204 -6.943 29 1HB LYS 3 2HB LYS 3 4.154 -12.592 -4.725 30 2HB LYS 3 1HB LYS 3 4.646 -13.859 -5.850 31 1HG LYS 3 2HG LYS 3 6.820 -13.284 -5.679 32 2HG LYS 3 1HG LYS 3 6.455 -11.582 -5.964 33 1HD LYS 3 2HD LYS 3 7.060 -11.288 -3.800 34 2HD LYS 3 1HD LYS 3 5.473 -11.957 -3.422 35 1HE LYS 3 2HE LYS 3 6.375 -13.876 -2.597 36 2HE LYS 3 1HE LYS 3 7.480 -14.034 -3.976 37 1HZ LYS 3 1HZ LYS 3 7.900 -12.736 -1.418 38 2HZ LYS 3 2HZ LYS 3 8.448 -11.854 -2.761 39 3HZ LYS 3 3HZ LYS 3 9.028 -13.424 -2.480 40 H LEU 4 H LEU 4 3.494 -9.986 -8.218 41 HA LEU 4 HA LEU 4 4.980 -7.964 -6.644 42 1HB LEU 4 2HB LEU 4 4.993 -8.118 -9.155 43 2HB LEU 4 1HB LEU 4 3.271 -7.740 -9.146 44 HG LEU 4 HG LEU 4 3.800 -5.605 -7.944 45 1HD1 LEU 4 1HD1 LEU 4 5.829 -5.493 -6.960 46 2HD1 LEU 4 2HD1 LEU 4 6.494 -5.234 -8.574 47 3HD1 LEU 4 3HD1 LEU 4 6.432 -6.861 -7.895 48 1HD2 LEU 4 1HD2 LEU 4 3.708 -5.981 -10.535 49 2HD2 LEU 4 2HD2 LEU 4 5.450 -5.716 -10.459 50 3HD2 LEU 4 3HD2 LEU 4 4.341 -4.457 -9.915 51 H PHE 5 H PHE 5 2.160 -9.432 -6.080 52 HA PHE 5 HA PHE 5 0.740 -6.908 -5.327 53 1HB PHE 5 2HB PHE 5 -0.082 -9.479 -6.557 54 2HB PHE 5 1HB PHE 5 -1.207 -8.778 -5.395 55 HD1 PHE 5 HD1 PHE 5 -1.790 -6.260 -5.687 56 HD2 PHE 5 HD2 PHE 5 -0.028 -8.681 -8.768 57 HE1 PHE 5 HE1 PHE 5 -2.557 -4.638 -7.400 58 HE2 PHE 5 HE2 PHE 5 -0.796 -7.059 -10.480 59 HZ PHE 5 HZ PHE 5 -2.060 -5.038 -9.796 60 H LYS 6 H LYS 6 1.114 -10.302 -4.403 61 HA LYS 6 HA LYS 6 0.015 -10.028 -1.761 62 1HB LYS 6 2HB LYS 6 1.564 -11.997 -3.357 63 2HB LYS 6 1HB LYS 6 1.671 -12.179 -1.606 64 1HG LYS 6 2HG LYS 6 -1.026 -11.721 -1.997 65 2HG LYS 6 1HG LYS 6 -0.595 -12.696 -3.401 66 1HD LYS 6 2HD LYS 6 -0.885 -14.449 -1.973 67 2HD LYS 6 1HD LYS 6 0.738 -14.030 -1.427 68 1HE LYS 6 2HE LYS 6 -0.299 -13.913 0.626 69 2HE LYS 6 1HE LYS 6 -0.744 -12.289 0.067 70 1HZ LYS 6 1HZ LYS 6 -2.543 -14.128 0.758 71 2HZ LYS 6 2HZ LYS 6 -2.402 -14.474 -0.899 72 3HZ LYS 6 3HZ LYS 6 -2.849 -12.917 -0.389 73 H LYS 7 H LYS 7 3.287 -9.633 -3.066 74 HA LYS 7 HA LYS 7 4.589 -9.483 -0.475 75 1HB LYS 7 2HB LYS 7 5.423 -9.948 -2.962 76 2HB LYS 7 1HB LYS 7 5.685 -8.204 -2.949 77 1HG LYS 7 2HG LYS 7 6.630 -9.617 -0.532 78 2HG LYS 7 1HG LYS 7 7.498 -10.020 -2.014 79 1HD LYS 7 2HD LYS 7 7.028 -7.225 -0.936 80 2HD LYS 7 1HD LYS 7 8.559 -8.101 -0.906 81 1HE LYS 7 2HE LYS 7 8.259 -8.290 -3.486 82 2HE LYS 7 1HE LYS 7 7.094 -6.966 -3.286 83 1HZ LYS 7 1HZ LYS 7 8.814 -5.794 -1.966 84 2HZ LYS 7 2HZ LYS 7 9.248 -6.009 -3.593 85 3HZ LYS 7 3HZ LYS 7 9.927 -7.001 -2.392 86 H ILE 8 H ILE 8 2.449 -7.409 -1.976 87 HA ILE 8 HA ILE 8 3.723 -4.864 -1.270 88 HB ILE 8 HB ILE 8 0.833 -5.469 -1.946 89 1HG1 ILE 8 2HG1 ILE 8 2.300 -6.560 -3.597 90 2HG1 ILE 8 1HG1 ILE 8 1.502 -5.164 -4.309 91 1HG2 ILE 8 1HG2 ILE 8 1.934 -3.122 -1.203 92 2HG2 ILE 8 2HG2 ILE 8 0.626 -3.227 -2.381 93 3HG2 ILE 8 3HG2 ILE 8 2.294 -3.074 -2.929 94 1HD1 ILE 8 1HD1 ILE 8 3.622 -4.618 -4.963 95 2HD1 ILE 8 2HD1 ILE 8 4.367 -5.590 -3.694 96 3HD1 ILE 8 3HD1 ILE 8 3.742 -3.983 -3.323 97 H GLY 9 H GLY 9 0.699 -6.454 -0.183 98 1HA GLY 9 2HA GLY 9 -0.275 -6.555 1.951 99 2HA GLY 9 1HA GLY 9 1.288 -6.086 2.617 100 H ILE 10 H ILE 10 0.457 -3.849 0.280 101 HA ILE 10 HA ILE 10 -0.711 -2.024 2.359 102 HB ILE 10 HB ILE 10 0.999 -1.378 -0.063 103 1HG1 ILE 10 2HG1 ILE 10 2.134 -1.035 2.636 104 2HG1 ILE 10 1HG1 ILE 10 1.835 -2.717 2.193 105 1HG2 ILE 10 1HG2 ILE 10 1.148 0.556 2.023 106 2HG2 ILE 10 2HG2 ILE 10 -0.559 0.218 1.738 107 3HG2 ILE 10 3HG2 ILE 10 0.467 0.755 0.408 108 1HD1 ILE 10 1HD1 ILE 10 3.946 -0.987 1.300 109 2HD1 ILE 10 2HD1 ILE 10 2.956 -1.445 -0.087 110 3HD1 ILE 10 3HD1 ILE 10 3.689 -2.691 0.923 111 H GLY 11 H GLY 11 -1.066 -3.369 -0.835 112 1HA GLY 11 2HA GLY 11 -2.758 -1.403 -2.013 113 2HA GLY 11 1HA GLY 11 -2.752 -3.113 -2.447 114 H LYS 12 H LYS 12 -3.358 -3.703 0.514 115 HA LYS 12 HA LYS 12 -6.274 -3.707 0.200 116 1HB LYS 12 2HB LYS 12 -4.528 -5.418 1.265 117 2HB LYS 12 1HB LYS 12 -4.856 -4.477 2.723 118 1HG LYS 12 2HG LYS 12 -7.356 -4.976 1.449 119 2HG LYS 12 1HG LYS 12 -6.483 -6.506 1.517 120 1HD LYS 12 2HD LYS 12 -5.976 -5.494 4.009 121 2HD LYS 12 1HD LYS 12 -7.602 -4.882 3.711 122 1HE LYS 12 2HE LYS 12 -8.374 -6.934 4.300 123 2HE LYS 12 1HE LYS 12 -7.650 -7.552 2.804 124 1HZ LYS 12 1HZ LYS 12 -5.510 -7.239 4.426 125 2HZ LYS 12 2HZ LYS 12 -6.319 -8.708 4.163 126 3HZ LYS 12 3HZ LYS 12 -6.697 -7.759 5.519 127 H PHE 13 H PHE 13 -3.875 -1.971 2.147 128 HA PHE 13 HA PHE 13 -5.608 -0.772 4.061 129 1HB PHE 13 2HB PHE 13 -2.921 -0.719 3.308 130 2HB PHE 13 1HB PHE 13 -3.454 0.945 3.074 131 HD1 PHE 13 HD1 PHE 13 -5.606 1.063 5.174 132 HD2 PHE 13 HD2 PHE 13 -1.618 -0.530 5.295 133 HE1 PHE 13 HE1 PHE 13 -5.531 1.435 7.625 134 HE2 PHE 13 HE2 PHE 13 -1.545 -0.159 7.745 135 HZ PHE 13 HZ PHE 13 -3.501 0.824 8.911 136 H LEU 14 H LEU 14 -4.837 0.121 0.721 137 HA LEU 14 HA LEU 14 -6.471 2.587 0.900 138 1HB LEU 14 2HB LEU 14 -4.405 1.396 -0.817 139 2HB LEU 14 1HB LEU 14 -5.676 2.219 -1.723 140 HG LEU 14 HG LEU 14 -4.372 3.514 0.669 141 1HD1 LEU 14 1HD1 LEU 14 -3.503 4.074 -2.156 142 2HD1 LEU 14 2HD1 LEU 14 -2.751 2.763 -1.246 143 3HD1 LEU 14 3HD1 LEU 14 -2.659 4.419 -0.646 144 1HD2 LEU 14 1HD2 LEU 14 -6.440 4.526 -0.115 145 2HD2 LEU 14 2HD2 LEU 14 -5.856 4.521 -1.779 146 3HD2 LEU 14 3HD2 LEU 14 -5.097 5.568 -0.580 147 H HIS 15 H HIS 15 -6.843 -0.728 -0.004 148 HA HIS 15 HA HIS 15 -8.938 -0.401 -1.967 149 1HB HIS 15 2HB HIS 15 -7.265 -2.349 -1.216 150 2HB HIS 15 1HB HIS 15 -8.654 -2.807 -0.241 151 HD1 HIS 15 HD1 HIS 15 -9.724 -4.669 -1.483 152 HD2 HIS 15 HD2 HIS 15 -8.699 -1.529 -4.018 153 HE1 HIS 15 HE1 HIS 15 -10.659 -5.260 -3.766 154 H SER 16 H SER 16 -8.812 -1.036 1.478 155 HA SER 16 HA SER 16 -11.520 -1.512 2.056 156 1HB SER 16 2HB SER 16 -10.552 -1.593 4.099 157 2HB SER 16 1HB SER 16 -9.088 -0.899 3.406 158 HG SER 16 HG SER 16 -9.714 0.549 4.905 159 H ALA 17 H ALA 17 -9.899 1.465 1.294 160 HA ALA 17 HA ALA 17 -12.121 3.203 2.087 161 1HB ALA 17 1HB ALA 17 -10.381 4.643 2.002 162 2HB ALA 17 2HB ALA 17 -10.311 4.437 0.252 163 3HB ALA 17 3HB ALA 17 -9.367 3.381 1.303 164 H LYS 18 H LYS 18 -10.835 1.821 -0.923 165 HA LYS 18 HA LYS 18 -12.780 3.177 -2.632 166 1HB LYS 18 2HB LYS 18 -11.030 0.752 -3.151 167 2HB LYS 18 1HB LYS 18 -11.698 1.849 -4.360 168 1HG LYS 18 2HG LYS 18 -10.014 3.040 -2.198 169 2HG LYS 18 1HG LYS 18 -9.196 2.121 -3.462 170 1HD LYS 18 2HD LYS 18 -10.303 3.510 -5.182 171 2HD LYS 18 1HD LYS 18 -11.096 4.442 -3.911 172 1HE LYS 18 2HE LYS 18 -9.272 5.786 -3.867 173 2HE LYS 18 1HE LYS 18 -8.341 4.407 -3.247 174 1HZ LYS 18 1HZ LYS 18 -7.449 5.255 -5.363 175 2HZ LYS 18 2HZ LYS 18 -8.929 4.903 -6.118 176 3HZ LYS 18 3HZ LYS 18 -7.974 3.647 -5.487 177 H LYS 19 H LYS 19 -13.116 0.740 -0.409 178 HA LYS 19 HA LYS 19 -15.180 -0.723 -2.015 179 1HB LYS 19 2HB LYS 19 -13.002 -1.626 -0.612 180 2HB LYS 19 1HB LYS 19 -14.278 -1.775 0.597 181 1HG LYS 19 2HG LYS 19 -14.393 -3.834 -0.524 182 2HG LYS 19 1HG LYS 19 -15.642 -2.884 -1.331 183 1HD LYS 19 2HD LYS 19 -13.726 -2.191 -2.960 184 2HD LYS 19 1HD LYS 19 -12.894 -3.610 -2.321 185 1HE LYS 19 2HE LYS 19 -14.714 -5.067 -3.009 186 2HE LYS 19 1HE LYS 19 -15.693 -3.670 -3.502 187 1HZ LYS 19 1HZ LYS 19 -12.971 -3.949 -4.567 188 2HZ LYS 19 2HZ LYS 19 -14.330 -3.209 -5.267 189 3HZ LYS 19 3HZ LYS 19 -14.201 -4.902 -5.239 190 H PHE 20 H PHE 20 -14.653 1.363 0.711 191 HA PHE 20 HA PHE 20 -17.575 1.324 1.287 192 1HB PHE 20 2HB PHE 20 -15.357 0.327 2.961 193 2HB PHE 20 1HB PHE 20 -16.466 1.411 3.800 194 HD1 PHE 20 HD1 PHE 20 -18.810 0.824 4.122 195 HD2 PHE 20 HD2 PHE 20 -16.129 -1.804 2.038 196 HE1 PHE 20 HE1 PHE 20 -20.471 -1.009 4.298 197 HE2 PHE 20 HE2 PHE 20 -17.788 -3.638 2.215 198 HZ PHE 20 HZ PHE 20 -19.959 -3.241 3.345 199 1HN NH2 21 1HN NH2 21 -14.385 2.875 1.756 200 2HN NH2 21 2HN NH2 21 -14.991 4.438 2.007 Start of MODEL 11 1 1H LYS 1 1H LYS 1 1.223 -13.178 19.510 2 2H LYS 1 2H LYS 1 1.512 -14.111 18.121 3 3H LYS 1 3H LYS 1 0.307 -14.576 19.225 4 HA LYS 1 HA LYS 1 -1.019 -13.587 17.664 5 1HB LYS 1 2HB LYS 1 -1.664 -11.499 18.650 6 2HB LYS 1 1HB LYS 1 -0.985 -12.459 19.964 7 1HG LYS 1 2HG LYS 1 1.235 -11.323 19.516 8 2HG LYS 1 1HG LYS 1 0.379 -10.241 18.420 9 1HD LYS 1 2HD LYS 1 -1.027 -10.447 20.945 10 2HD LYS 1 1HD LYS 1 0.646 -9.949 21.203 11 1HE LYS 1 2HE LYS 1 -0.717 -8.607 18.935 12 2HE LYS 1 1HE LYS 1 -1.334 -8.196 20.547 13 1HZ LYS 1 1HZ LYS 1 0.534 -7.117 21.042 14 2HZ LYS 1 2HZ LYS 1 0.974 -7.240 19.406 15 3HZ LYS 1 3HZ LYS 1 1.513 -8.402 20.523 16 H LEU 2 H LEU 2 -1.161 -11.155 16.476 17 HA LEU 2 HA LEU 2 1.287 -10.131 15.360 18 1HB LEU 2 2HB LEU 2 1.078 -12.565 14.511 19 2HB LEU 2 1HB LEU 2 -0.245 -11.965 13.510 20 HG LEU 2 HG LEU 2 1.371 -10.180 12.672 21 1HD1 LEU 2 1HD1 LEU 2 3.818 -11.213 12.891 22 2HD1 LEU 2 2HD1 LEU 2 3.156 -11.854 14.393 23 3HD1 LEU 2 3HD1 LEU 2 3.181 -10.113 14.113 24 1HD2 LEU 2 1HD2 LEU 2 1.241 -11.650 10.955 25 2HD2 LEU 2 2HD2 LEU 2 1.226 -13.034 12.049 26 3HD2 LEU 2 3HD2 LEU 2 2.759 -12.320 11.552 27 H LYS 3 H LYS 3 0.466 -8.060 15.164 28 HA LYS 3 HA LYS 3 -1.764 -7.633 13.260 29 1HB LYS 3 2HB LYS 3 -1.945 -7.524 16.177 30 2HB LYS 3 1HB LYS 3 -2.450 -6.011 15.421 31 1HG LYS 3 2HG LYS 3 -4.340 -6.938 14.601 32 2HG LYS 3 1HG LYS 3 -3.471 -8.351 14.001 33 1HD LYS 3 2HD LYS 3 -3.839 -9.565 15.918 34 2HD LYS 3 1HD LYS 3 -3.814 -8.137 16.952 35 1HE LYS 3 2HE LYS 3 -6.061 -7.619 16.514 36 2HE LYS 3 1HE LYS 3 -6.073 -8.529 14.991 37 1HZ LYS 3 1HZ LYS 3 -6.893 -10.204 16.202 38 2HZ LYS 3 2HZ LYS 3 -6.483 -9.470 17.678 39 3HZ LYS 3 3HZ LYS 3 -5.327 -10.383 16.831 40 H LEU 4 H LEU 4 1.197 -6.951 13.579 41 HA LEU 4 HA LEU 4 0.953 -3.961 13.493 42 1HB LEU 4 2HB LEU 4 3.190 -5.864 14.238 43 2HB LEU 4 1HB LEU 4 3.448 -4.133 14.014 44 HG LEU 4 HG LEU 4 1.367 -3.970 15.666 45 1HD1 LEU 4 1HD1 LEU 4 0.742 -6.025 16.384 46 2HD1 LEU 4 2HD1 LEU 4 2.214 -5.997 17.356 47 3HD1 LEU 4 3HD1 LEU 4 2.218 -6.773 15.772 48 1HD2 LEU 4 1HD2 LEU 4 3.972 -4.744 16.943 49 2HD2 LEU 4 2HD2 LEU 4 2.900 -3.396 17.326 50 3HD2 LEU 4 3HD2 LEU 4 3.922 -3.330 15.891 51 H PHE 5 H PHE 5 0.785 -6.315 11.378 52 HA PHE 5 HA PHE 5 2.910 -5.389 9.514 53 1HB PHE 5 2HB PHE 5 1.260 -7.798 9.976 54 2HB PHE 5 1HB PHE 5 1.567 -7.418 8.282 55 HD1 PHE 5 HD1 PHE 5 2.877 -8.943 11.218 56 HD2 PHE 5 HD2 PHE 5 4.052 -6.848 7.657 57 HE1 PHE 5 HE1 PHE 5 5.170 -9.861 11.436 58 HE2 PHE 5 HE2 PHE 5 6.346 -7.767 7.875 59 HZ PHE 5 HZ PHE 5 6.905 -9.272 9.765 60 H LYS 6 H LYS 6 -0.522 -5.416 9.997 61 HA LYS 6 HA LYS 6 -1.692 -4.929 7.560 62 1HB LYS 6 2HB LYS 6 -2.087 -4.098 10.346 63 2HB LYS 6 1HB LYS 6 -2.817 -2.987 9.186 64 1HG LYS 6 2HG LYS 6 -4.321 -4.548 8.427 65 2HG LYS 6 1HG LYS 6 -3.215 -5.897 8.694 66 1HD LYS 6 2HD LYS 6 -3.539 -5.457 11.203 67 2HD LYS 6 1HD LYS 6 -4.902 -4.441 10.733 68 1HE LYS 6 2HE LYS 6 -5.542 -6.600 9.285 69 2HE LYS 6 1HE LYS 6 -4.616 -7.411 10.564 70 1HZ LYS 6 1HZ LYS 6 -6.850 -5.490 10.961 71 2HZ LYS 6 2HZ LYS 6 -5.910 -6.160 12.208 72 3HZ LYS 6 3HZ LYS 6 -6.903 -7.158 11.257 73 H LYS 7 H LYS 7 0.508 -2.749 9.256 74 HA LYS 7 HA LYS 7 -0.063 -0.470 7.504 75 1HB LYS 7 2HB LYS 7 0.935 -0.800 10.008 76 2HB LYS 7 1HB LYS 7 2.435 -0.603 9.098 77 1HG LYS 7 2HG LYS 7 1.535 1.477 8.091 78 2HG LYS 7 1HG LYS 7 0.066 1.291 9.049 79 1HD LYS 7 2HD LYS 7 1.493 1.333 11.121 80 2HD LYS 7 1HD LYS 7 2.877 1.717 10.097 81 1HE LYS 7 2HE LYS 7 1.503 3.695 9.213 82 2HE LYS 7 1HE LYS 7 0.396 3.389 10.566 83 1HZ LYS 7 1HZ LYS 7 3.208 3.340 11.248 84 2HZ LYS 7 2HZ LYS 7 1.903 4.052 12.072 85 3HZ LYS 7 3HZ LYS 7 2.632 4.861 10.767 86 H ILE 8 H ILE 8 1.389 -3.310 6.802 87 HA ILE 8 HA ILE 8 3.569 -2.069 5.161 88 HB ILE 8 HB ILE 8 3.053 -4.899 6.121 89 1HG1 ILE 8 2HG1 ILE 8 4.285 -2.595 7.326 90 2HG1 ILE 8 1HG1 ILE 8 4.108 -4.212 7.996 91 1HG2 ILE 8 1HG2 ILE 8 5.222 -3.713 4.373 92 2HG2 ILE 8 2HG2 ILE 8 4.159 -5.073 4.011 93 3HG2 ILE 8 3HG2 ILE 8 5.426 -5.244 5.225 94 1HD1 ILE 8 1HD1 ILE 8 6.410 -3.111 6.370 95 2HD1 ILE 8 2HD1 ILE 8 6.185 -4.842 6.624 96 3HD1 ILE 8 3HD1 ILE 8 6.451 -3.777 8.003 97 H GLY 9 H GLY 9 0.423 -3.223 4.948 98 1HA GLY 9 2HA GLY 9 0.794 -4.029 2.095 99 2HA GLY 9 1HA GLY 9 -0.519 -4.620 3.117 100 H ILE 10 H ILE 10 0.830 -1.430 2.196 101 HA ILE 10 HA ILE 10 -1.391 0.187 2.594 102 HB ILE 10 HB ILE 10 0.595 0.134 0.298 103 1HG1 ILE 10 2HG1 ILE 10 0.572 1.668 2.918 104 2HG1 ILE 10 1HG1 ILE 10 1.564 0.248 2.587 105 1HG2 ILE 10 1HG2 ILE 10 -1.638 1.934 0.939 106 2HG2 ILE 10 2HG2 ILE 10 -0.717 1.775 -0.557 107 3HG2 ILE 10 3HG2 ILE 10 -0.094 2.768 0.762 108 1HD1 ILE 10 1HD1 ILE 10 2.828 2.363 2.252 109 2HD1 ILE 10 2HD1 ILE 10 1.667 2.839 1.013 110 3HD1 ILE 10 3HD1 ILE 10 2.696 1.429 0.763 111 H GLY 11 H GLY 11 -0.986 -2.313 0.190 112 1HA GLY 11 2HA GLY 11 -2.942 -1.471 -1.706 113 2HA GLY 11 1HA GLY 11 -2.455 -3.146 -1.439 114 H LYS 12 H LYS 12 -3.332 -3.927 0.887 115 HA LYS 12 HA LYS 12 -6.147 -4.176 0.687 116 1HB LYS 12 2HB LYS 12 -4.053 -5.173 2.227 117 2HB LYS 12 1HB LYS 12 -5.072 -4.347 3.407 118 1HG LYS 12 2HG LYS 12 -6.111 -6.341 1.373 119 2HG LYS 12 1HG LYS 12 -5.715 -6.747 3.043 120 1HD LYS 12 2HD LYS 12 -7.585 -4.466 2.460 121 2HD LYS 12 1HD LYS 12 -8.186 -6.125 2.444 122 1HE LYS 12 2HE LYS 12 -6.534 -5.165 4.776 123 2HE LYS 12 1HE LYS 12 -8.268 -4.799 4.703 124 1HZ LYS 12 1HZ LYS 12 -7.845 -7.467 3.900 125 2HZ LYS 12 2HZ LYS 12 -8.730 -6.892 5.231 126 3HZ LYS 12 3HZ LYS 12 -7.073 -7.225 5.391 127 H PHE 13 H PHE 13 -4.177 -1.692 2.209 128 HA PHE 13 HA PHE 13 -6.338 -0.544 3.797 129 1HB PHE 13 2HB PHE 13 -3.513 -0.286 3.433 130 2HB PHE 13 1HB PHE 13 -4.234 1.310 3.223 131 HD1 PHE 13 HD1 PHE 13 -3.996 -1.601 5.523 132 HD2 PHE 13 HD2 PHE 13 -5.170 2.506 5.068 133 HE1 PHE 13 HE1 PHE 13 -4.304 -1.418 7.977 134 HE2 PHE 13 HE2 PHE 13 -5.477 2.690 7.523 135 HZ PHE 13 HZ PHE 13 -5.043 0.727 8.976 136 H LEU 14 H LEU 14 -4.805 0.213 0.662 137 HA LEU 14 HA LEU 14 -6.389 2.586 0.165 138 1HB LEU 14 2HB LEU 14 -4.177 2.029 -0.855 139 2HB LEU 14 1HB LEU 14 -4.947 0.711 -1.741 140 HG LEU 14 HG LEU 14 -6.528 2.415 -2.728 141 1HD1 LEU 14 1HD1 LEU 14 -6.539 4.369 -1.553 142 2HD1 LEU 14 2HD1 LEU 14 -5.164 4.776 -2.581 143 3HD1 LEU 14 3HD1 LEU 14 -4.894 4.135 -0.960 144 1HD2 LEU 14 1HD2 LEU 14 -4.077 3.544 -3.706 145 2HD2 LEU 14 2HD2 LEU 14 -5.100 2.326 -4.468 146 3HD2 LEU 14 3HD2 LEU 14 -3.812 1.833 -3.369 147 H HIS 15 H HIS 15 -6.598 -0.788 -1.029 148 HA HIS 15 HA HIS 15 -8.901 -0.481 -2.648 149 1HB HIS 15 2HB HIS 15 -7.168 -2.418 -2.193 150 2HB HIS 15 1HB HIS 15 -8.368 -2.932 -1.014 151 HD1 HIS 15 HD1 HIS 15 -10.936 -3.044 -2.094 152 HD2 HIS 15 HD2 HIS 15 -7.722 -3.350 -4.733 153 HE1 HIS 15 HE1 HIS 15 -11.853 -4.061 -4.226 154 H SER 16 H SER 16 -8.610 -1.516 0.703 155 HA SER 16 HA SER 16 -11.357 -1.832 1.313 156 1HB SER 16 2HB SER 16 -9.865 -2.636 2.918 157 2HB SER 16 1HB SER 16 -8.839 -1.209 2.816 158 HG SER 16 HG SER 16 -10.616 -1.677 4.624 159 H ALA 17 H ALA 17 -9.540 1.001 0.693 160 HA ALA 17 HA ALA 17 -11.259 2.857 2.166 161 1HB ALA 17 1HB ALA 17 -9.543 3.744 -0.102 162 2HB ALA 17 2HB ALA 17 -8.721 2.913 1.220 163 3HB ALA 17 3HB ALA 17 -9.646 4.380 1.540 164 H LYS 18 H LYS 18 -10.971 1.666 -1.167 165 HA LYS 18 HA LYS 18 -12.909 3.500 -2.296 166 1HB LYS 18 2HB LYS 18 -12.149 0.755 -3.309 167 2HB LYS 18 1HB LYS 18 -12.600 2.172 -4.259 168 1HG LYS 18 2HG LYS 18 -10.497 3.238 -3.035 169 2HG LYS 18 1HG LYS 18 -10.009 1.548 -2.897 170 1HD LYS 18 2HD LYS 18 -11.018 2.447 -5.553 171 2HD LYS 18 1HD LYS 18 -9.427 3.029 -5.063 172 1HE LYS 18 2HE LYS 18 -8.544 0.832 -4.900 173 2HE LYS 18 1HE LYS 18 -10.160 0.097 -4.870 174 1HZ LYS 18 1HZ LYS 18 -10.554 0.834 -7.099 175 2HZ LYS 18 2HZ LYS 18 -9.079 -0.009 -7.084 176 3HZ LYS 18 3HZ LYS 18 -9.090 1.690 -7.139 177 H LYS 19 H LYS 19 -13.088 0.542 -0.541 178 HA LYS 19 HA LYS 19 -16.030 0.348 -1.099 179 1HB LYS 19 2HB LYS 19 -14.101 -1.486 -1.624 180 2HB LYS 19 1HB LYS 19 -14.510 -1.946 0.029 181 1HG LYS 19 2HG LYS 19 -16.348 -2.991 -0.730 182 2HG LYS 19 1HG LYS 19 -16.958 -1.450 -1.336 183 1HD LYS 19 2HD LYS 19 -15.220 -1.955 -3.298 184 2HD LYS 19 1HD LYS 19 -15.511 -3.621 -2.792 185 1HE LYS 19 2HE LYS 19 -17.738 -1.657 -3.433 186 2HE LYS 19 1HE LYS 19 -17.100 -2.844 -4.588 187 1HZ LYS 19 1HZ LYS 19 -17.522 -4.582 -2.922 188 2HZ LYS 19 2HZ LYS 19 -18.953 -3.804 -3.408 189 3HZ LYS 19 3HZ LYS 19 -18.245 -3.430 -1.908 190 H PHE 20 H PHE 20 -13.786 1.286 1.189 191 HA PHE 20 HA PHE 20 -15.783 1.206 3.353 192 1HB PHE 20 2HB PHE 20 -14.283 -0.997 3.072 193 2HB PHE 20 1HB PHE 20 -13.130 -0.022 3.984 194 HD1 PHE 20 HD1 PHE 20 -13.153 -0.900 6.167 195 HD2 PHE 20 HD2 PHE 20 -16.864 -0.091 4.161 196 HE1 PHE 20 HE1 PHE 20 -14.391 -1.390 8.259 197 HE2 PHE 20 HE2 PHE 20 -18.102 -0.579 6.253 198 HZ PHE 20 HZ PHE 20 -16.866 -1.229 8.303 199 1HN NH2 21 1HN NH2 21 -13.765 3.066 1.733 200 2HN NH2 21 2HN NH2 21 -13.045 3.989 2.961 Start of MODEL 12 1 1H LYS 1 1H LYS 1 14.243 0.531 7.821 2 2H LYS 1 2H LYS 1 15.648 0.316 8.752 3 3H LYS 1 3H LYS 1 14.117 0.200 9.480 4 HA LYS 1 HA LYS 1 15.569 -1.770 7.891 5 1HB LYS 1 2HB LYS 1 13.900 -1.454 10.338 6 2HB LYS 1 1HB LYS 1 13.845 -3.029 9.547 7 1HG LYS 1 2HG LYS 1 16.572 -2.157 9.626 8 2HG LYS 1 1HG LYS 1 15.890 -1.995 11.244 9 1HD LYS 1 2HD LYS 1 15.779 -4.491 9.524 10 2HD LYS 1 1HD LYS 1 16.835 -4.248 10.914 11 1HE LYS 1 2HE LYS 1 14.197 -3.624 11.784 12 2HE LYS 1 1HE LYS 1 14.106 -5.160 10.903 13 1HZ LYS 1 1HZ LYS 1 15.538 -4.517 13.347 14 2HZ LYS 1 2HZ LYS 1 16.398 -5.467 12.231 15 3HZ LYS 1 3HZ LYS 1 14.899 -5.998 12.826 16 H LEU 2 H LEU 2 14.358 -3.438 6.740 17 HA LEU 2 HA LEU 2 12.662 -4.206 5.281 18 1HB LEU 2 2HB LEU 2 11.495 -3.265 7.636 19 2HB LEU 2 1HB LEU 2 10.566 -2.477 6.361 20 HG LEU 2 HG LEU 2 11.179 -5.436 6.312 21 1HD1 LEU 2 1HD1 LEU 2 9.097 -3.908 7.806 22 2HD1 LEU 2 2HD1 LEU 2 9.858 -5.449 8.201 23 3HD1 LEU 2 3HD1 LEU 2 8.579 -5.381 6.988 24 1HD2 LEU 2 1HD2 LEU 2 8.842 -5.067 4.996 25 2HD2 LEU 2 2HD2 LEU 2 10.413 -4.965 4.200 26 3HD2 LEU 2 3HD2 LEU 2 9.589 -3.494 4.718 27 H LYS 3 H LYS 3 12.048 -3.540 3.219 28 HA LYS 3 HA LYS 3 11.791 -0.599 2.717 29 1HB LYS 3 2HB LYS 3 13.340 -0.776 0.891 30 2HB LYS 3 1HB LYS 3 14.098 -1.604 2.251 31 1HG LYS 3 2HG LYS 3 13.075 -3.756 1.348 32 2HG LYS 3 1HG LYS 3 12.677 -2.848 -0.111 33 1HD LYS 3 2HD LYS 3 15.341 -2.197 0.355 34 2HD LYS 3 1HD LYS 3 15.253 -3.912 0.762 35 1HE LYS 3 2HE LYS 3 13.863 -3.049 -1.739 36 2HE LYS 3 1HE LYS 3 15.636 -3.107 -1.767 37 1HZ LYS 3 1HZ LYS 3 14.611 -5.272 -2.300 38 2HZ LYS 3 2HZ LYS 3 13.893 -5.292 -0.760 39 3HZ LYS 3 3HZ LYS 3 15.585 -5.336 -0.913 40 H LEU 4 H LEU 4 10.184 -3.405 2.638 41 HA LEU 4 HA LEU 4 8.915 -2.910 -0.036 42 1HB LEU 4 2HB LEU 4 9.752 -5.254 1.507 43 2HB LEU 4 1HB LEU 4 8.087 -5.384 0.941 44 HG LEU 4 HG LEU 4 10.155 -4.411 -0.988 45 1HD1 LEU 4 1HD1 LEU 4 10.495 -6.887 -1.588 46 2HD1 LEU 4 2HD1 LEU 4 9.855 -7.245 0.015 47 3HD1 LEU 4 3HD1 LEU 4 11.334 -6.300 -0.153 48 1HD2 LEU 4 1HD2 LEU 4 7.443 -5.093 -1.069 49 2HD2 LEU 4 2HD2 LEU 4 8.257 -6.463 -1.823 50 3HD2 LEU 4 3HD2 LEU 4 8.493 -4.836 -2.462 51 H PHE 5 H PHE 5 8.367 -1.594 2.671 52 HA PHE 5 HA PHE 5 5.849 -2.606 3.652 53 1HB PHE 5 2HB PHE 5 7.761 -0.524 4.186 54 2HB PHE 5 1HB PHE 5 6.135 0.160 4.206 55 HD1 PHE 5 HD1 PHE 5 7.274 -3.285 5.108 56 HD2 PHE 5 HD2 PHE 5 5.604 0.426 6.489 57 HE1 PHE 5 HE1 PHE 5 6.867 -4.296 7.337 58 HE2 PHE 5 HE2 PHE 5 5.199 -0.587 8.717 59 HZ PHE 5 HZ PHE 5 5.829 -2.948 9.140 60 H LYS 6 H LYS 6 6.736 -0.543 1.030 61 HA LYS 6 HA LYS 6 4.262 0.889 0.709 62 1HB LYS 6 2HB LYS 6 5.248 1.594 -1.321 63 2HB LYS 6 1HB LYS 6 6.638 1.231 -0.299 64 1HG LYS 6 2HG LYS 6 7.287 0.007 -2.123 65 2HG LYS 6 1HG LYS 6 6.239 -1.210 -1.392 66 1HD LYS 6 2HD LYS 6 4.714 -1.051 -3.057 67 2HD LYS 6 1HD LYS 6 4.772 0.713 -3.049 68 1HE LYS 6 2HE LYS 6 7.124 -0.786 -4.165 69 2HE LYS 6 1HE LYS 6 5.665 -0.613 -5.160 70 1HZ LYS 6 1HZ LYS 6 5.905 1.607 -5.297 71 2HZ LYS 6 2HZ LYS 6 7.536 1.285 -4.950 72 3HZ LYS 6 3HZ LYS 6 6.477 1.762 -3.709 73 H LYS 7 H LYS 7 5.278 -2.350 -0.142 74 HA LYS 7 HA LYS 7 3.367 -2.959 -2.171 75 1HB LYS 7 2HB LYS 7 5.222 -4.307 -0.351 76 2HB LYS 7 1HB LYS 7 3.806 -5.286 -0.738 77 1HG LYS 7 2HG LYS 7 4.844 -3.939 -3.100 78 2HG LYS 7 1HG LYS 7 6.074 -4.951 -2.341 79 1HD LYS 7 2HD LYS 7 5.094 -6.768 -3.233 80 2HD LYS 7 1HD LYS 7 3.644 -6.425 -2.288 81 1HE LYS 7 2HE LYS 7 3.454 -4.588 -4.353 82 2HE LYS 7 1HE LYS 7 4.121 -6.022 -5.158 83 1HZ LYS 7 1HZ LYS 7 2.365 -7.169 -3.547 84 2HZ LYS 7 2HZ LYS 7 1.962 -6.662 -5.118 85 3HZ LYS 7 3HZ LYS 7 1.571 -5.689 -3.782 86 H ILE 8 H ILE 8 3.121 -4.624 0.876 87 HA ILE 8 HA ILE 8 0.202 -4.546 0.804 88 HB ILE 8 HB ILE 8 2.045 -5.468 3.027 89 1HG1 ILE 8 2HG1 ILE 8 1.294 -6.812 0.418 90 2HG1 ILE 8 1HG1 ILE 8 2.915 -6.485 1.032 91 1HG2 ILE 8 1HG2 ILE 8 0.251 -6.974 3.570 92 2HG2 ILE 8 2HG2 ILE 8 -0.609 -6.578 2.081 93 3HG2 ILE 8 3HG2 ILE 8 -0.470 -5.376 3.365 94 1HD1 ILE 8 1HD1 ILE 8 0.893 -8.418 2.201 95 2HD1 ILE 8 2HD1 ILE 8 2.433 -8.013 2.960 96 3HD1 ILE 8 3HD1 ILE 8 2.408 -8.835 1.400 97 H GLY 9 H GLY 9 2.768 -2.953 2.672 98 1HA GLY 9 2HA GLY 9 1.347 -1.854 4.794 99 2HA GLY 9 1HA GLY 9 2.649 -0.991 3.976 100 H ILE 10 H ILE 10 1.341 -0.786 1.411 101 HA ILE 10 HA ILE 10 -0.994 0.973 2.084 102 HB ILE 10 HB ILE 10 1.324 1.505 0.198 103 1HG1 ILE 10 2HG1 ILE 10 0.581 3.040 2.695 104 2HG1 ILE 10 1HG1 ILE 10 1.684 1.664 2.750 105 1HG2 ILE 10 1HG2 ILE 10 -0.097 2.943 -0.799 106 2HG2 ILE 10 2HG2 ILE 10 -0.126 3.857 0.710 107 3HG2 ILE 10 3HG2 ILE 10 -1.347 2.622 0.403 108 1HD1 ILE 10 1HD1 ILE 10 3.030 3.648 2.505 109 2HD1 ILE 10 2HD1 ILE 10 2.031 4.226 1.173 110 3HD1 ILE 10 3HD1 ILE 10 3.053 2.804 0.958 111 H GLY 11 H GLY 11 -1.100 -1.743 1.083 112 1HA GLY 11 2HA GLY 11 -2.163 -1.220 -1.665 113 2HA GLY 11 1HA GLY 11 -1.329 -2.720 -1.258 114 H LYS 12 H LYS 12 -2.544 -2.882 1.412 115 HA LYS 12 HA LYS 12 -5.033 -4.222 0.638 116 1HB LYS 12 2HB LYS 12 -3.112 -4.138 2.825 117 2HB LYS 12 1HB LYS 12 -4.769 -4.148 3.430 118 1HG LYS 12 2HG LYS 12 -5.234 -6.098 1.904 119 2HG LYS 12 1HG LYS 12 -3.511 -6.143 1.528 120 1HD LYS 12 2HD LYS 12 -3.051 -7.221 3.450 121 2HD LYS 12 1HD LYS 12 -3.930 -6.017 4.395 122 1HE LYS 12 2HE LYS 12 -6.071 -7.236 3.483 123 2HE LYS 12 1HE LYS 12 -4.951 -8.582 3.191 124 1HZ LYS 12 1HZ LYS 12 -5.718 -8.805 5.411 125 2HZ LYS 12 2HZ LYS 12 -5.442 -7.163 5.752 126 3HZ LYS 12 3HZ LYS 12 -4.131 -8.216 5.510 127 H PHE 13 H PHE 13 -4.128 -1.386 2.605 128 HA PHE 13 HA PHE 13 -6.765 -0.737 3.519 129 1HB PHE 13 2HB PHE 13 -4.073 0.284 3.573 130 2HB PHE 13 1HB PHE 13 -5.190 1.607 3.236 131 HD1 PHE 13 HD1 PHE 13 -3.579 0.049 5.837 132 HD2 PHE 13 HD2 PHE 13 -7.545 1.221 4.675 133 HE1 PHE 13 HE1 PHE 13 -4.266 0.085 8.219 134 HE2 PHE 13 HE2 PHE 13 -8.232 1.255 7.058 135 HZ PHE 13 HZ PHE 13 -6.593 0.687 8.830 136 H LEU 14 H LEU 14 -5.150 -0.203 0.468 137 HA LEU 14 HA LEU 14 -6.580 2.044 -0.521 138 1HB LEU 14 2HB LEU 14 -4.633 0.297 -1.374 139 2HB LEU 14 1HB LEU 14 -5.978 -0.102 -2.444 140 HG LEU 14 HG LEU 14 -4.750 2.636 -2.013 141 1HD1 LEU 14 1HD1 LEU 14 -5.066 1.071 -4.579 142 2HD1 LEU 14 2HD1 LEU 14 -3.644 0.897 -3.551 143 3HD1 LEU 14 3HD1 LEU 14 -4.025 2.461 -4.272 144 1HD2 LEU 14 1HD2 LEU 14 -6.982 1.981 -3.936 145 2HD2 LEU 14 2HD2 LEU 14 -6.456 3.562 -3.359 146 3HD2 LEU 14 3HD2 LEU 14 -7.333 2.477 -2.280 147 H HIS 15 H HIS 15 -7.285 -1.425 -1.182 148 HA HIS 15 HA HIS 15 -9.763 -0.958 -2.498 149 1HB HIS 15 2HB HIS 15 -8.096 -3.013 -2.155 150 2HB HIS 15 1HB HIS 15 -9.259 -3.420 -0.903 151 HD1 HIS 15 HD1 HIS 15 -11.552 -1.929 -2.847 152 HD2 HIS 15 HD2 HIS 15 -9.209 -5.283 -3.640 153 HE1 HIS 15 HE1 HIS 15 -12.756 -3.231 -4.656 154 H SER 16 H SER 16 -9.038 -1.823 0.839 155 HA SER 16 HA SER 16 -11.726 -1.922 1.802 156 1HB SER 16 2HB SER 16 -10.457 -1.402 4.016 157 2HB SER 16 1HB SER 16 -10.030 -2.870 3.142 158 HG SER 16 HG SER 16 -8.115 -2.069 2.878 159 H ALA 17 H ALA 17 -9.866 0.715 0.740 160 HA ALA 17 HA ALA 17 -11.436 2.684 2.345 161 1HB ALA 17 1HB ALA 17 -8.893 2.718 2.140 162 2HB ALA 17 2HB ALA 17 -9.699 4.226 1.711 163 3HB ALA 17 3HB ALA 17 -9.119 3.144 0.445 164 H LYS 18 H LYS 18 -10.798 1.586 -0.963 165 HA LYS 18 HA LYS 18 -12.278 3.688 -2.286 166 1HB LYS 18 2HB LYS 18 -10.523 1.826 -3.065 167 2HB LYS 18 1HB LYS 18 -12.001 0.932 -3.419 168 1HG LYS 18 2HG LYS 18 -12.799 2.694 -4.874 169 2HG LYS 18 1HG LYS 18 -11.463 3.746 -4.405 170 1HD LYS 18 2HD LYS 18 -9.879 2.478 -5.582 171 2HD LYS 18 1HD LYS 18 -10.905 1.044 -5.606 172 1HE LYS 18 2HE LYS 18 -11.218 1.781 -7.791 173 2HE LYS 18 1HE LYS 18 -12.511 2.697 -6.992 174 1HZ LYS 18 1HZ LYS 18 -9.997 3.630 -8.069 175 2HZ LYS 18 2HZ LYS 18 -10.342 4.220 -6.514 176 3HZ LYS 18 3HZ LYS 18 -11.435 4.483 -7.787 177 H LYS 19 H LYS 19 -13.217 1.045 -0.385 178 HA LYS 19 HA LYS 19 -16.035 1.273 -1.384 179 1HB LYS 19 2HB LYS 19 -14.529 -0.835 -1.938 180 2HB LYS 19 1HB LYS 19 -14.930 -1.290 -0.281 181 1HG LYS 19 2HG LYS 19 -16.785 -2.203 -1.244 182 2HG LYS 19 1HG LYS 19 -17.384 -0.544 -1.205 183 1HD LYS 19 2HD LYS 19 -16.275 -0.246 -3.494 184 2HD LYS 19 1HD LYS 19 -16.099 -2.002 -3.520 185 1HE LYS 19 2HE LYS 19 -18.505 -2.310 -3.348 186 2HE LYS 19 1HE LYS 19 -18.748 -0.565 -3.124 187 1HZ LYS 19 1HZ LYS 19 -17.402 -0.377 -5.289 188 2HZ LYS 19 2HZ LYS 19 -19.036 -0.833 -5.395 189 3HZ LYS 19 3HZ LYS 19 -17.813 -2.006 -5.526 190 H PHE 20 H PHE 20 -13.871 1.409 1.268 191 HA PHE 20 HA PHE 20 -16.167 1.618 3.151 192 1HB PHE 20 2HB PHE 20 -13.975 -0.402 3.090 193 2HB PHE 20 1HB PHE 20 -14.419 0.234 4.674 194 HD1 PHE 20 HD1 PHE 20 -15.289 -2.056 2.054 195 HD2 PHE 20 HD2 PHE 20 -16.921 0.227 5.306 196 HE1 PHE 20 HE1 PHE 20 -17.290 -3.522 2.079 197 HE2 PHE 20 HE2 PHE 20 -18.921 -1.239 5.331 198 HZ PHE 20 HZ PHE 20 -19.106 -3.113 3.716 199 1HN NH2 21 1HN NH2 21 -13.600 3.149 1.856 200 2HN NH2 21 2HN NH2 21 -13.020 4.016 3.192 Start of MODEL 13 1 1H LYS 1 1H LYS 1 12.418 -6.515 17.789 2 2H LYS 1 2H LYS 1 12.192 -7.472 16.402 3 3H LYS 1 3H LYS 1 10.856 -7.002 17.343 4 HA LYS 1 HA LYS 1 11.467 -4.619 16.789 5 1HB LYS 1 2HB LYS 1 13.748 -5.832 15.984 6 2HB LYS 1 1HB LYS 1 12.893 -5.767 14.443 7 1HG LYS 1 2HG LYS 1 12.460 -3.306 14.919 8 2HG LYS 1 1HG LYS 1 13.597 -3.453 16.259 9 1HD LYS 1 2HD LYS 1 15.350 -3.297 14.857 10 2HD LYS 1 1HD LYS 1 14.734 -4.635 13.887 11 1HE LYS 1 2HE LYS 1 14.708 -2.872 12.334 12 2HE LYS 1 1HE LYS 1 13.054 -2.801 12.972 13 1HZ LYS 1 1HZ LYS 1 14.524 -1.409 14.797 14 2HZ LYS 1 2HZ LYS 1 13.552 -0.724 13.585 15 3HZ LYS 1 3HZ LYS 1 15.216 -0.942 13.320 16 H LEU 2 H LEU 2 9.202 -6.081 16.608 17 HA LEU 2 HA LEU 2 8.383 -6.878 13.969 18 1HB LEU 2 2HB LEU 2 6.733 -5.851 16.298 19 2HB LEU 2 1HB LEU 2 6.173 -6.907 15.001 20 HG LEU 2 HG LEU 2 8.561 -7.849 16.486 21 1HD1 LEU 2 1HD1 LEU 2 6.705 -6.793 18.097 22 2HD1 LEU 2 2HD1 LEU 2 7.539 -8.291 18.507 23 3HD1 LEU 2 3HD1 LEU 2 5.926 -8.347 17.799 24 1HD2 LEU 2 1HD2 LEU 2 6.304 -9.649 16.292 25 2HD2 LEU 2 2HD2 LEU 2 7.887 -9.774 15.523 26 3HD2 LEU 2 3HD2 LEU 2 6.592 -8.871 14.736 27 H LYS 3 H LYS 3 8.863 -5.205 12.458 28 HA LYS 3 HA LYS 3 6.915 -3.008 12.365 29 1HB LYS 3 2HB LYS 3 9.608 -2.728 13.461 30 2HB LYS 3 1HB LYS 3 9.332 -1.630 12.109 31 1HG LYS 3 2HG LYS 3 7.339 -0.738 13.173 32 2HG LYS 3 1HG LYS 3 7.456 -1.924 14.474 33 1HD LYS 3 2HD LYS 3 9.260 -0.861 15.468 34 2HD LYS 3 1HD LYS 3 9.813 -0.154 13.949 35 1HE LYS 3 2HE LYS 3 7.272 0.960 14.332 36 2HE LYS 3 1HE LYS 3 8.019 0.984 15.941 37 1HZ LYS 3 1HZ LYS 3 9.633 1.709 13.594 38 2HZ LYS 3 2HZ LYS 3 9.799 2.208 15.209 39 3HZ LYS 3 3HZ LYS 3 8.567 2.859 14.238 40 H LEU 4 H LEU 4 8.076 -5.349 10.724 41 HA LEU 4 HA LEU 4 8.926 -3.780 8.316 42 1HB LEU 4 2HB LEU 4 10.519 -5.449 9.223 43 2HB LEU 4 1HB LEU 4 9.294 -6.705 9.046 44 HG LEU 4 HG LEU 4 9.796 -5.107 6.611 45 1HD1 LEU 4 1HD1 LEU 4 12.091 -5.338 7.571 46 2HD1 LEU 4 2HD1 LEU 4 11.890 -6.239 6.068 47 3HD1 LEU 4 3HD1 LEU 4 11.864 -7.086 7.616 48 1HD2 LEU 4 1HD2 LEU 4 8.997 -6.996 5.641 49 2HD2 LEU 4 2HD2 LEU 4 8.551 -7.483 7.276 50 3HD2 LEU 4 3HD2 LEU 4 10.074 -8.032 6.576 51 H PHE 5 H PHE 5 6.207 -5.140 9.622 52 HA PHE 5 HA PHE 5 5.176 -6.542 7.274 53 1HB PHE 5 2HB PHE 5 4.472 -6.015 10.051 54 2HB PHE 5 1HB PHE 5 3.074 -5.859 8.987 55 HD1 PHE 5 HD1 PHE 5 6.098 -8.075 8.879 56 HD2 PHE 5 HD2 PHE 5 1.814 -7.828 9.081 57 HE1 PHE 5 HE1 PHE 5 5.948 -10.546 8.712 58 HE2 PHE 5 HE2 PHE 5 1.665 -10.298 8.914 59 HZ PHE 5 HZ PHE 5 3.732 -11.656 8.730 60 H LYS 6 H LYS 6 5.180 -3.314 8.498 61 HA LYS 6 HA LYS 6 2.937 -2.109 7.345 62 1HB LYS 6 2HB LYS 6 5.806 -1.248 7.739 63 2HB LYS 6 1HB LYS 6 4.605 -0.134 7.085 64 1HG LYS 6 2HG LYS 6 3.166 -0.811 9.132 65 2HG LYS 6 1HG LYS 6 4.673 -1.437 9.803 66 1HD LYS 6 2HD LYS 6 5.616 0.927 9.103 67 2HD LYS 6 1HD LYS 6 3.917 1.397 9.166 68 1HE LYS 6 2HE LYS 6 4.470 -0.172 11.498 69 2HE LYS 6 1HE LYS 6 5.715 1.086 11.364 70 1HZ LYS 6 1HZ LYS 6 2.773 1.472 11.217 71 2HZ LYS 6 2HZ LYS 6 3.913 2.686 10.884 72 3HZ LYS 6 3HZ LYS 6 3.807 2.023 12.445 73 H LYS 7 H LYS 7 5.728 -3.470 5.755 74 HA LYS 7 HA LYS 7 5.645 -2.093 3.261 75 1HB LYS 7 2HB LYS 7 6.847 -4.429 4.486 76 2HB LYS 7 1HB LYS 7 6.392 -4.775 2.818 77 1HG LYS 7 2HG LYS 7 7.499 -2.226 2.680 78 2HG LYS 7 1HG LYS 7 8.534 -3.070 3.834 79 1HD LYS 7 2HD LYS 7 8.208 -4.992 1.917 80 2HD LYS 7 1HD LYS 7 8.183 -3.524 0.937 81 1HE LYS 7 2HE LYS 7 10.503 -4.382 1.216 82 2HE LYS 7 1HE LYS 7 10.315 -2.797 1.993 83 1HZ LYS 7 1HZ LYS 7 9.554 -5.056 3.634 84 2HZ LYS 7 2HZ LYS 7 10.469 -3.682 4.036 85 3HZ LYS 7 3HZ LYS 7 11.206 -4.998 3.257 86 H ILE 8 H ILE 8 3.430 -4.255 4.669 87 HA ILE 8 HA ILE 8 2.232 -4.981 2.033 88 HB ILE 8 HB ILE 8 1.406 -5.995 4.755 89 1HG1 ILE 8 2HG1 ILE 8 3.634 -7.184 3.080 90 2HG1 ILE 8 1HG1 ILE 8 3.933 -6.146 4.472 91 1HG2 ILE 8 1HG2 ILE 8 0.013 -6.653 2.883 92 2HG2 ILE 8 2HG2 ILE 8 0.963 -8.053 3.382 93 3HG2 ILE 8 3HG2 ILE 8 1.426 -7.138 1.947 94 1HD1 ILE 8 1HD1 ILE 8 3.426 -7.786 5.948 95 2HD1 ILE 8 2HD1 ILE 8 3.613 -8.887 4.582 96 3HD1 ILE 8 3HD1 ILE 8 2.012 -8.295 5.024 97 H GLY 9 H GLY 9 1.926 -2.737 4.545 98 1HA GLY 9 2HA GLY 9 -1.016 -2.500 4.299 99 2HA GLY 9 1HA GLY 9 0.001 -1.599 5.425 100 H ILE 10 H ILE 10 0.275 -1.978 1.885 101 HA ILE 10 HA ILE 10 -0.135 0.981 1.642 102 HB ILE 10 HB ILE 10 2.015 -0.788 0.423 103 1HG1 ILE 10 2HG1 ILE 10 2.767 1.682 1.822 104 2HG1 ILE 10 1HG1 ILE 10 1.931 0.531 2.865 105 1HG2 ILE 10 1HG2 ILE 10 1.715 0.682 -1.324 106 2HG2 ILE 10 2HG2 ILE 10 2.734 1.698 -0.307 107 3HG2 ILE 10 3HG2 ILE 10 0.983 1.915 -0.298 108 1HD1 ILE 10 1HD1 ILE 10 3.627 -1.000 2.761 109 2HD1 ILE 10 2HD1 ILE 10 4.597 0.422 2.379 110 3HD1 ILE 10 3HD1 ILE 10 4.008 -0.617 1.081 111 H GLY 11 H GLY 11 -1.320 -1.964 0.847 112 1HA GLY 11 2HA GLY 11 -2.491 -0.930 -1.687 113 2HA GLY 11 1HA GLY 11 -1.787 -2.549 -1.671 114 H LYS 12 H LYS 12 -2.612 -3.312 0.942 115 HA LYS 12 HA LYS 12 -5.270 -4.277 0.420 116 1HB LYS 12 2HB LYS 12 -3.142 -4.515 2.363 117 2HB LYS 12 1HB LYS 12 -4.692 -4.377 3.193 118 1HG LYS 12 2HG LYS 12 -4.286 -6.268 0.870 119 2HG LYS 12 1HG LYS 12 -3.952 -6.746 2.535 120 1HD LYS 12 2HD LYS 12 -6.508 -5.430 2.431 121 2HD LYS 12 1HD LYS 12 -6.466 -6.712 1.221 122 1HE LYS 12 2HE LYS 12 -6.897 -8.158 2.920 123 2HE LYS 12 1HE LYS 12 -5.244 -7.843 3.485 124 1HZ LYS 12 1HZ LYS 12 -6.689 -7.243 5.252 125 2HZ LYS 12 2HZ LYS 12 -7.719 -6.374 4.218 126 3HZ LYS 12 3HZ LYS 12 -6.160 -5.789 4.558 127 H PHE 13 H PHE 13 -4.018 -1.594 2.403 128 HA PHE 13 HA PHE 13 -6.538 -0.891 3.613 129 1HB PHE 13 2HB PHE 13 -3.786 -0.036 3.536 130 2HB PHE 13 1HB PHE 13 -4.839 1.370 3.387 131 HD1 PHE 13 HD1 PHE 13 -3.958 -1.536 5.501 132 HD2 PHE 13 HD2 PHE 13 -6.292 2.058 5.196 133 HE1 PHE 13 HE1 PHE 13 -4.470 -1.661 7.927 134 HE2 PHE 13 HE2 PHE 13 -6.801 1.934 7.619 135 HZ PHE 13 HZ PHE 13 -5.890 0.074 8.985 136 H LEU 14 H LEU 14 -4.956 0.019 0.571 137 HA LEU 14 HA LEU 14 -6.620 2.259 -0.082 138 1HB LEU 14 2HB LEU 14 -5.143 0.215 -1.774 139 2HB LEU 14 1HB LEU 14 -5.817 1.715 -2.408 140 HG LEU 14 HG LEU 14 -3.549 1.358 -0.447 141 1HD1 LEU 14 1HD1 LEU 14 -3.345 3.437 -2.468 142 2HD1 LEU 14 2HD1 LEU 14 -3.721 1.875 -3.197 143 3HD1 LEU 14 3HD1 LEU 14 -2.289 2.054 -2.182 144 1HD2 LEU 14 1HD2 LEU 14 -3.660 3.903 -0.237 145 2HD2 LEU 14 2HD2 LEU 14 -4.910 3.011 0.633 146 3HD2 LEU 14 3HD2 LEU 14 -5.292 3.795 -0.901 147 H HIS 15 H HIS 15 -7.041 -1.229 -0.491 148 HA HIS 15 HA HIS 15 -9.322 -1.173 -2.226 149 1HB HIS 15 2HB HIS 15 -7.746 -3.086 -1.544 150 2HB HIS 15 1HB HIS 15 -8.710 -3.199 -0.073 151 HD1 HIS 15 HD1 HIS 15 -10.612 -2.217 -3.075 152 HD2 HIS 15 HD2 HIS 15 -9.623 -5.776 -1.142 153 HE1 HIS 15 HE1 HIS 15 -12.159 -3.990 -4.007 154 H SER 16 H SER 16 -9.165 -1.829 1.229 155 HA SER 16 HA SER 16 -11.918 -1.670 1.828 156 1HB SER 16 2HB SER 16 -11.168 -1.593 4.074 157 2HB SER 16 1HB SER 16 -9.838 -2.371 3.219 158 HG SER 16 HG SER 16 -9.122 -0.033 2.961 159 H ALA 17 H ALA 17 -9.716 0.818 0.980 160 HA ALA 17 HA ALA 17 -11.374 2.971 2.147 161 1HB ALA 17 1HB ALA 17 -8.890 3.051 0.402 162 2HB ALA 17 2HB ALA 17 -8.863 2.960 2.163 163 3HB ALA 17 3HB ALA 17 -9.537 4.381 1.362 164 H LYS 18 H LYS 18 -11.128 1.174 -0.770 165 HA LYS 18 HA LYS 18 -12.162 3.303 -2.510 166 1HB LYS 18 2HB LYS 18 -11.327 0.433 -2.745 167 2HB LYS 18 1HB LYS 18 -12.298 1.143 -4.035 168 1HG LYS 18 2HG LYS 18 -9.827 2.526 -2.992 169 2HG LYS 18 1HG LYS 18 -9.730 1.307 -4.263 170 1HD LYS 18 2HD LYS 18 -11.860 3.204 -4.809 171 2HD LYS 18 1HD LYS 18 -10.315 4.030 -4.602 172 1HE LYS 18 2HE LYS 18 -10.087 1.579 -6.208 173 2HE LYS 18 1HE LYS 18 -11.131 2.810 -6.944 174 1HZ LYS 18 1HZ LYS 18 -9.448 4.280 -7.114 175 2HZ LYS 18 2HZ LYS 18 -8.474 2.888 -7.089 176 3HZ LYS 18 3HZ LYS 18 -8.712 3.787 -5.668 177 H LYS 19 H LYS 19 -13.422 0.814 -0.491 178 HA LYS 19 HA LYS 19 -16.180 1.593 -1.276 179 1HB LYS 19 2HB LYS 19 -15.025 -0.492 -2.533 180 2HB LYS 19 1HB LYS 19 -15.641 -1.330 -1.108 181 1HG LYS 19 2HG LYS 19 -17.883 -0.699 -1.570 182 2HG LYS 19 1HG LYS 19 -17.382 0.541 -2.720 183 1HD LYS 19 2HD LYS 19 -17.863 -1.062 -4.271 184 2HD LYS 19 1HD LYS 19 -16.262 -1.670 -3.850 185 1HE LYS 19 2HE LYS 19 -17.334 -3.614 -3.333 186 2HE LYS 19 1HE LYS 19 -17.895 -2.765 -1.879 187 1HZ LYS 19 1HZ LYS 19 -19.898 -3.249 -2.829 188 2HZ LYS 19 2HZ LYS 19 -19.290 -3.222 -4.416 189 3HZ LYS 19 3HZ LYS 19 -19.594 -1.766 -3.596 190 H PHE 20 H PHE 20 -14.241 1.547 1.170 191 HA PHE 20 HA PHE 20 -16.314 0.618 3.092 192 1HB PHE 20 2HB PHE 20 -13.942 -0.805 2.405 193 2HB PHE 20 1HB PHE 20 -13.722 -0.176 4.038 194 HD1 PHE 20 HD1 PHE 20 -16.298 -1.880 1.912 195 HD2 PHE 20 HD2 PHE 20 -14.646 -1.339 5.839 196 HE1 PHE 20 HE1 PHE 20 -17.829 -3.619 2.796 197 HE2 PHE 20 HE2 PHE 20 -16.177 -3.079 6.724 198 HZ PHE 20 HZ PHE 20 -17.769 -4.218 5.202 199 1HN NH2 21 1HN NH2 21 -13.489 2.629 2.374 200 2HN NH2 21 2HN NH2 21 -13.583 3.583 3.767 Start of MODEL 14 1 1H LYS 1 1H LYS 1 15.126 -12.079 4.528 2 2H LYS 1 2H LYS 1 14.543 -10.593 3.946 3 3H LYS 1 3H LYS 1 15.881 -11.334 3.205 4 HA LYS 1 HA LYS 1 14.523 -12.360 1.782 5 1HB LYS 1 2HB LYS 1 13.301 -13.434 4.350 6 2HB LYS 1 1HB LYS 1 13.144 -14.170 2.755 7 1HG LYS 1 2HG LYS 1 15.079 -15.267 3.075 8 2HG LYS 1 1HG LYS 1 15.923 -13.725 3.229 9 1HD LYS 1 2HD LYS 1 14.531 -14.099 5.661 10 2HD LYS 1 1HD LYS 1 15.285 -15.649 5.286 11 1HE LYS 1 2HE LYS 1 17.351 -14.001 4.688 12 2HE LYS 1 1HE LYS 1 16.561 -13.048 5.959 13 1HZ LYS 1 1HZ LYS 1 18.056 -15.425 6.232 14 2HZ LYS 1 2HZ LYS 1 16.464 -15.721 6.743 15 3HZ LYS 1 3HZ LYS 1 17.367 -14.467 7.448 16 H LEU 2 H LEU 2 11.994 -12.805 1.354 17 HA LEU 2 HA LEU 2 9.830 -11.886 1.098 18 1HB LEU 2 2HB LEU 2 10.691 -11.407 3.755 19 2HB LEU 2 1HB LEU 2 9.954 -9.905 3.195 20 HG LEU 2 HG LEU 2 8.044 -11.424 2.308 21 1HD1 LEU 2 1HD1 LEU 2 9.740 -13.420 3.147 22 2HD1 LEU 2 2HD1 LEU 2 8.006 -13.621 2.894 23 3HD1 LEU 2 3HD1 LEU 2 8.630 -13.291 4.511 24 1HD2 LEU 2 1HD2 LEU 2 7.857 -11.642 5.211 25 2HD2 LEU 2 2HD2 LEU 2 6.922 -10.632 4.107 26 3HD2 LEU 2 3HD2 LEU 2 8.479 -10.068 4.716 27 H LYS 3 H LYS 3 10.971 -10.887 -0.872 28 HA LYS 3 HA LYS 3 11.264 -7.918 -0.570 29 1HB LYS 3 2HB LYS 3 12.543 -8.169 -2.731 30 2HB LYS 3 1HB LYS 3 13.253 -9.054 -1.382 31 1HG LYS 3 2HG LYS 3 11.281 -10.682 -2.746 32 2HG LYS 3 1HG LYS 3 12.511 -10.111 -3.876 33 1HD LYS 3 2HD LYS 3 14.256 -11.137 -2.701 34 2HD LYS 3 1HD LYS 3 13.327 -11.223 -1.203 35 1HE LYS 3 2HE LYS 3 12.032 -12.688 -3.384 36 2HE LYS 3 1HE LYS 3 13.648 -13.316 -3.003 37 1HZ LYS 3 1HZ LYS 3 12.303 -14.346 -1.433 38 2HZ LYS 3 2HZ LYS 3 11.333 -12.970 -1.203 39 3HZ LYS 3 3HZ LYS 3 12.913 -13.012 -0.581 40 H LEU 4 H LEU 4 8.663 -9.201 -0.755 41 HA LEU 4 HA LEU 4 7.592 -7.739 -3.062 42 1HB LEU 4 2HB LEU 4 8.523 -10.172 -3.653 43 2HB LEU 4 1HB LEU 4 6.953 -10.663 -3.018 44 HG LEU 4 HG LEU 4 7.258 -8.500 -5.110 45 1HD1 LEU 4 1HD1 LEU 4 8.097 -10.927 -5.689 46 2HD1 LEU 4 2HD1 LEU 4 7.047 -10.073 -6.819 47 3HD1 LEU 4 3HD1 LEU 4 6.374 -11.299 -5.745 48 1HD2 LEU 4 1HD2 LEU 4 5.082 -8.248 -4.506 49 2HD2 LEU 4 2HD2 LEU 4 5.053 -9.789 -3.646 50 3HD2 LEU 4 3HD2 LEU 4 4.811 -9.748 -5.392 51 H PHE 5 H PHE 5 7.031 -10.017 -0.395 52 HA PHE 5 HA PHE 5 4.163 -9.600 -0.277 53 1HB PHE 5 2HB PHE 5 6.243 -11.157 0.962 54 2HB PHE 5 1HB PHE 5 5.221 -10.454 2.212 55 HD1 PHE 5 HD1 PHE 5 5.593 -13.218 0.108 56 HD2 PHE 5 HD2 PHE 5 2.584 -10.529 1.581 57 HE1 PHE 5 HE1 PHE 5 3.845 -14.910 -0.375 58 HE2 PHE 5 HE2 PHE 5 0.836 -12.222 1.098 59 HZ PHE 5 HZ PHE 5 1.468 -14.412 0.121 60 H LYS 6 H LYS 6 6.918 -7.909 0.888 61 HA LYS 6 HA LYS 6 5.723 -6.549 3.137 62 1HB LYS 6 2HB LYS 6 7.733 -5.127 2.915 63 2HB LYS 6 1HB LYS 6 8.149 -6.833 2.744 64 1HG LYS 6 2HG LYS 6 8.136 -6.615 0.302 65 2HG LYS 6 1HG LYS 6 7.656 -4.923 0.439 66 1HD LYS 6 2HD LYS 6 9.986 -5.427 2.073 67 2HD LYS 6 1HD LYS 6 10.283 -5.951 0.415 68 1HE LYS 6 2HE LYS 6 8.888 -3.349 0.630 69 2HE LYS 6 1HE LYS 6 10.551 -3.353 1.248 70 1HZ LYS 6 1HZ LYS 6 10.850 -4.827 -0.936 71 2HZ LYS 6 2HZ LYS 6 11.042 -3.140 -0.935 72 3HZ LYS 6 3HZ LYS 6 9.581 -3.831 -1.457 73 H LYS 7 H LYS 7 5.818 -5.895 -0.334 74 HA LYS 7 HA LYS 7 4.779 -3.160 -0.049 75 1HB LYS 7 2HB LYS 7 6.251 -4.519 -1.900 76 2HB LYS 7 1HB LYS 7 4.652 -4.597 -2.638 77 1HG LYS 7 2HG LYS 7 4.506 -2.066 -2.149 78 2HG LYS 7 1HG LYS 7 6.249 -2.149 -1.893 79 1HD LYS 7 2HD LYS 7 6.431 -1.866 -4.131 80 2HD LYS 7 1HD LYS 7 5.913 -3.547 -4.256 81 1HE LYS 7 2HE LYS 7 3.657 -1.706 -3.888 82 2HE LYS 7 1HE LYS 7 4.573 -1.396 -5.376 83 1HZ LYS 7 1HZ LYS 7 4.576 -3.979 -5.514 84 2HZ LYS 7 2HZ LYS 7 3.215 -3.108 -6.043 85 3HZ LYS 7 3HZ LYS 7 3.210 -3.857 -4.518 86 H ILE 8 H ILE 8 3.334 -6.022 0.520 87 HA ILE 8 HA ILE 8 0.782 -5.359 -0.894 88 HB ILE 8 HB ILE 8 1.649 -7.867 0.578 89 1HG1 ILE 8 2HG1 ILE 8 1.940 -7.027 -2.317 90 2HG1 ILE 8 1HG1 ILE 8 3.201 -7.584 -1.217 91 1HG2 ILE 8 1HG2 ILE 8 -0.843 -7.342 0.077 92 2HG2 ILE 8 2HG2 ILE 8 -0.216 -8.916 -0.415 93 3HG2 ILE 8 3HG2 ILE 8 -0.415 -7.633 -1.609 94 1HD1 ILE 8 1HD1 ILE 8 2.230 -9.818 -1.158 95 2HD1 ILE 8 2HD1 ILE 8 2.491 -9.349 -2.838 96 3HD1 ILE 8 3HD1 ILE 8 0.870 -9.285 -2.145 97 H GLY 9 H GLY 9 2.301 -5.308 2.195 98 1HA GLY 9 2HA GLY 9 -0.036 -5.709 3.837 99 2HA GLY 9 1HA GLY 9 1.471 -4.959 4.365 100 H ILE 10 H ILE 10 0.900 -3.133 1.812 101 HA ILE 10 HA ILE 10 -0.860 -1.234 3.335 102 HB ILE 10 HB ILE 10 1.482 -0.839 1.452 103 1HG1 ILE 10 2HG1 ILE 10 1.235 0.295 4.217 104 2HG1 ILE 10 1HG1 ILE 10 1.632 -1.414 4.037 105 1HG2 ILE 10 1HG2 ILE 10 0.471 1.108 0.892 106 2HG2 ILE 10 2HG2 ILE 10 0.839 1.628 2.536 107 3HG2 ILE 10 3HG2 ILE 10 -0.740 0.937 2.163 108 1HD1 ILE 10 1HD1 ILE 10 3.246 -0.047 2.168 109 2HD1 ILE 10 2HD1 ILE 10 3.772 -0.822 3.663 110 3HD1 ILE 10 3HD1 ILE 10 3.337 0.887 3.661 111 H GLY 11 H GLY 11 -0.740 -3.193 0.588 112 1HA GLY 11 2HA GLY 11 -2.085 -1.429 -1.289 113 2HA GLY 11 1HA GLY 11 -1.911 -3.175 -1.459 114 H LYS 12 H LYS 12 -3.152 -3.995 0.942 115 HA LYS 12 HA LYS 12 -5.904 -4.017 0.184 116 1HB LYS 12 2HB LYS 12 -4.300 -5.435 1.823 117 2HB LYS 12 1HB LYS 12 -5.122 -4.440 3.025 118 1HG LYS 12 2HG LYS 12 -6.996 -5.671 2.836 119 2HG LYS 12 1HG LYS 12 -7.030 -5.419 1.090 120 1HD LYS 12 2HD LYS 12 -5.151 -7.216 1.022 121 2HD LYS 12 1HD LYS 12 -5.703 -7.630 2.647 122 1HE LYS 12 2HE LYS 12 -7.951 -8.081 1.833 123 2HE LYS 12 1HE LYS 12 -7.515 -7.511 0.210 124 1HZ LYS 12 1HZ LYS 12 -7.084 -9.724 -0.036 125 2HZ LYS 12 2HZ LYS 12 -6.695 -9.957 1.600 126 3HZ LYS 12 3HZ LYS 12 -5.575 -9.225 0.555 127 H PHE 13 H PHE 13 -4.082 -1.590 1.781 128 HA PHE 13 HA PHE 13 -6.161 -0.488 3.471 129 1HB PHE 13 2HB PHE 13 -3.473 -0.170 3.159 130 2HB PHE 13 1HB PHE 13 -4.062 1.276 2.336 131 HD1 PHE 13 HD1 PHE 13 -4.757 -0.696 5.458 132 HD2 PHE 13 HD2 PHE 13 -4.430 3.178 3.632 133 HE1 PHE 13 HE1 PHE 13 -5.194 0.374 7.652 134 HE2 PHE 13 HE2 PHE 13 -4.866 4.249 5.826 135 HZ PHE 13 HZ PHE 13 -5.248 2.847 7.837 136 H LEU 14 H LEU 14 -4.889 0.480 0.256 137 HA LEU 14 HA LEU 14 -6.697 2.619 -0.232 138 1HB LEU 14 2HB LEU 14 -4.639 2.033 -1.519 139 2HB LEU 14 1HB LEU 14 -5.480 0.629 -2.176 140 HG LEU 14 HG LEU 14 -7.066 3.045 -2.488 141 1HD1 LEU 14 1HD1 LEU 14 -5.511 4.515 -3.184 142 2HD1 LEU 14 2HD1 LEU 14 -5.052 3.391 -4.462 143 3HD1 LEU 14 3HD1 LEU 14 -4.237 3.329 -2.900 144 1HD2 LEU 14 1HD2 LEU 14 -7.311 0.837 -3.681 145 2HD2 LEU 14 2HD2 LEU 14 -5.817 1.199 -4.544 146 3HD2 LEU 14 3HD2 LEU 14 -7.234 2.226 -4.764 147 H HIS 15 H HIS 15 -7.049 -0.875 -0.691 148 HA HIS 15 HA HIS 15 -9.450 -0.866 -2.227 149 1HB HIS 15 2HB HIS 15 -7.776 -2.724 -1.676 150 2HB HIS 15 1HB HIS 15 -8.632 -2.887 -0.145 151 HD1 HIS 15 HD1 HIS 15 -9.779 -5.113 -0.591 152 HD2 HIS 15 HD2 HIS 15 -10.490 -2.305 -3.582 153 HE1 HIS 15 HE1 HIS 15 -11.585 -6.093 -2.076 154 H SER 16 H SER 16 -9.142 -1.672 1.191 155 HA SER 16 HA SER 16 -11.828 -1.593 1.937 156 1HB SER 16 2HB SER 16 -9.706 -0.444 3.719 157 2HB SER 16 1HB SER 16 -10.989 -1.581 4.122 158 HG SER 16 HG SER 16 -8.471 -2.069 3.332 159 H ALA 17 H ALA 17 -9.773 1.047 1.112 160 HA ALA 17 HA ALA 17 -11.334 3.138 2.414 161 1HB ALA 17 1HB ALA 17 -9.358 4.139 1.949 162 2HB ALA 17 2HB ALA 17 -9.803 4.139 0.243 163 3HB ALA 17 3HB ALA 17 -8.890 2.789 0.916 164 H LYS 18 H LYS 18 -10.823 2.288 -1.030 165 HA LYS 18 HA LYS 18 -13.199 3.820 -1.845 166 1HB LYS 18 2HB LYS 18 -10.844 3.387 -2.982 167 2HB LYS 18 1HB LYS 18 -11.644 1.941 -3.598 168 1HG LYS 18 2HG LYS 18 -13.046 3.133 -4.960 169 2HG LYS 18 1HG LYS 18 -13.173 4.478 -3.825 170 1HD LYS 18 2HD LYS 18 -11.218 5.484 -4.585 171 2HD LYS 18 1HD LYS 18 -10.548 3.966 -5.184 172 1HE LYS 18 2HE LYS 18 -12.263 3.948 -6.996 173 2HE LYS 18 1HE LYS 18 -12.845 5.524 -6.423 174 1HZ LYS 18 1HZ LYS 18 -10.350 4.850 -7.765 175 2HZ LYS 18 2HZ LYS 18 -10.237 5.984 -6.504 176 3HZ LYS 18 3HZ LYS 18 -11.259 6.280 -7.829 177 H LYS 19 H LYS 19 -12.982 0.974 -0.311 178 HA LYS 19 HA LYS 19 -15.295 -0.205 -1.813 179 1HB LYS 19 2HB LYS 19 -13.157 -1.367 -2.303 180 2HB LYS 19 1HB LYS 19 -12.917 -1.635 -0.577 181 1HG LYS 19 2HG LYS 19 -14.042 -3.575 -0.852 182 2HG LYS 19 1HG LYS 19 -15.493 -2.592 -1.043 183 1HD LYS 19 2HD LYS 19 -14.530 -2.384 -3.541 184 2HD LYS 19 1HD LYS 19 -13.844 -3.952 -3.114 185 1HE LYS 19 2HE LYS 19 -16.104 -4.752 -2.453 186 2HE LYS 19 1HE LYS 19 -16.782 -3.190 -2.951 187 1HZ LYS 19 1HZ LYS 19 -15.411 -3.681 -5.100 188 2HZ LYS 19 2HZ LYS 19 -16.954 -4.363 -4.897 189 3HZ LYS 19 3HZ LYS 19 -15.566 -5.295 -4.599 190 H PHE 20 H PHE 20 -14.328 1.194 1.000 191 HA PHE 20 HA PHE 20 -16.561 0.040 2.520 192 1HB PHE 20 2HB PHE 20 -13.856 -0.956 2.715 193 2HB PHE 20 1HB PHE 20 -14.332 -0.234 4.251 194 HD1 PHE 20 HD1 PHE 20 -16.545 -0.957 5.307 195 HD2 PHE 20 HD2 PHE 20 -14.709 -3.060 2.042 196 HE1 PHE 20 HE1 PHE 20 -17.920 -2.956 5.822 197 HE2 PHE 20 HE2 PHE 20 -16.083 -5.059 2.556 198 HZ PHE 20 HZ PHE 20 -17.690 -5.007 4.446 199 1HN NH2 21 1HN NH2 21 -15.442 2.742 1.559 200 2HN NH2 21 2HN NH2 21 -15.349 3.692 2.960 Start of MODEL 15 1 1H LYS 1 1H LYS 1 5.363 -1.990 -14.471 2 2H LYS 1 2H LYS 1 4.660 -2.018 -12.925 3 3H LYS 1 3H LYS 1 5.405 -3.412 -13.547 4 HA LYS 1 HA LYS 1 7.482 -2.725 -13.015 5 1HB LYS 1 2HB LYS 1 6.290 -0.133 -13.962 6 2HB LYS 1 1HB LYS 1 7.834 -0.110 -13.110 7 1HG LYS 1 2HG LYS 1 8.230 -2.164 -14.878 8 2HG LYS 1 1HG LYS 1 7.194 -1.090 -15.819 9 1HD LYS 1 2HD LYS 1 9.023 0.150 -16.261 10 2HD LYS 1 1HD LYS 1 9.038 0.609 -14.557 11 1HE LYS 1 2HE LYS 1 10.203 -1.871 -14.438 12 2HE LYS 1 1HE LYS 1 10.798 -1.273 -16.001 13 1HZ LYS 1 1HZ LYS 1 12.272 -0.324 -14.506 14 2HZ LYS 1 2HZ LYS 1 11.080 -0.058 -13.326 15 3HZ LYS 1 3HZ LYS 1 11.134 0.917 -14.715 16 H LEU 2 H LEU 2 7.710 -3.090 -10.834 17 HA LEU 2 HA LEU 2 7.554 -2.747 -8.497 18 1HB LEU 2 2HB LEU 2 7.646 -0.141 -9.879 19 2HB LEU 2 1HB LEU 2 6.995 -0.061 -8.242 20 HG LEU 2 HG LEU 2 9.029 -1.480 -7.550 21 1HD1 LEU 2 1HD1 LEU 2 10.063 -0.417 -10.196 22 2HD1 LEU 2 2HD1 LEU 2 9.608 -2.097 -9.915 23 3HD1 LEU 2 3HD1 LEU 2 10.956 -1.389 -9.026 24 1HD2 LEU 2 1HD2 LEU 2 10.268 0.996 -8.417 25 2HD2 LEU 2 2HD2 LEU 2 9.807 0.498 -6.789 26 3HD2 LEU 2 3HD2 LEU 2 8.630 1.295 -7.833 27 H LYS 3 H LYS 3 5.575 -3.925 -8.107 28 HA LYS 3 HA LYS 3 3.305 -2.258 -7.302 29 1HB LYS 3 2HB LYS 3 3.508 -3.445 -9.948 30 2HB LYS 3 1HB LYS 3 2.086 -4.045 -9.093 31 1HG LYS 3 2HG LYS 3 2.817 -1.120 -9.438 32 2HG LYS 3 1HG LYS 3 1.571 -1.975 -10.350 33 1HD LYS 3 2HD LYS 3 0.565 -2.573 -8.046 34 2HD LYS 3 1HD LYS 3 1.609 -1.301 -7.410 35 1HE LYS 3 2HE LYS 3 -0.170 0.060 -7.920 36 2HE LYS 3 1HE LYS 3 0.474 -0.034 -9.571 37 1HZ LYS 3 1HZ LYS 3 -0.856 -2.356 -9.362 38 2HZ LYS 3 2HZ LYS 3 -1.512 -0.943 -10.040 39 3HZ LYS 3 3HZ LYS 3 -1.839 -1.343 -8.422 40 H LEU 4 H LEU 4 5.070 -4.342 -6.098 41 HA LEU 4 HA LEU 4 2.929 -5.987 -4.929 42 1HB LEU 4 2HB LEU 4 3.749 -8.082 -5.704 43 2HB LEU 4 1HB LEU 4 3.749 -7.043 -7.126 44 HG LEU 4 HG LEU 4 6.256 -6.702 -5.788 45 1HD1 LEU 4 1HD1 LEU 4 6.313 -8.775 -4.761 46 2HD1 LEU 4 2HD1 LEU 4 6.898 -9.232 -6.361 47 3HD1 LEU 4 3HD1 LEU 4 5.209 -9.500 -5.930 48 1HD2 LEU 4 1HD2 LEU 4 5.415 -6.646 -8.305 49 2HD2 LEU 4 2HD2 LEU 4 5.923 -8.335 -8.279 50 3HD2 LEU 4 3HD2 LEU 4 7.088 -7.057 -7.926 51 H PHE 5 H PHE 5 4.460 -4.105 -3.621 52 HA PHE 5 HA PHE 5 6.045 -5.795 -1.766 53 1HB PHE 5 2HB PHE 5 7.081 -3.925 -3.731 54 2HB PHE 5 1HB PHE 5 7.553 -3.457 -2.096 55 HD1 PHE 5 HD1 PHE 5 8.370 -5.522 -4.846 56 HD2 PHE 5 HD2 PHE 5 8.364 -5.457 -0.551 57 HE1 PHE 5 HE1 PHE 5 10.069 -7.329 -4.815 58 HE2 PHE 5 HE2 PHE 5 10.064 -7.263 -0.521 59 HZ PHE 5 HZ PHE 5 10.915 -8.200 -2.654 60 H LYS 6 H LYS 6 6.076 -2.311 -2.032 61 HA LYS 6 HA LYS 6 5.471 -1.795 0.687 62 1HB LYS 6 2HB LYS 6 5.370 -0.286 -1.906 63 2HB LYS 6 1HB LYS 6 4.721 0.479 -0.456 64 1HG LYS 6 2HG LYS 6 6.782 0.647 0.549 65 2HG LYS 6 1HG LYS 6 7.385 -0.830 -0.204 66 1HD LYS 6 2HD LYS 6 8.172 0.274 -2.033 67 2HD LYS 6 1HD LYS 6 6.786 1.364 -2.092 68 1HE LYS 6 2HE LYS 6 7.765 2.545 -0.056 69 2HE LYS 6 1HE LYS 6 9.238 1.591 -0.322 70 1HZ LYS 6 1HZ LYS 6 9.702 2.658 -2.240 71 2HZ LYS 6 2HZ LYS 6 8.766 3.901 -1.558 72 3HZ LYS 6 3HZ LYS 6 8.073 2.830 -2.678 73 H LYS 7 H LYS 7 3.377 -2.767 -1.889 74 HA LYS 7 HA LYS 7 0.919 -1.608 -0.855 75 1HB LYS 7 2HB LYS 7 -0.072 -2.828 -2.656 76 2HB LYS 7 1HB LYS 7 1.526 -2.359 -3.234 77 1HG LYS 7 2HG LYS 7 1.947 -4.535 -3.631 78 2HG LYS 7 1HG LYS 7 1.906 -4.803 -1.887 79 1HD LYS 7 2HD LYS 7 -0.501 -5.217 -1.971 80 2HD LYS 7 1HD LYS 7 -0.528 -4.852 -3.696 81 1HE LYS 7 2HE LYS 7 -0.471 -7.327 -3.192 82 2HE LYS 7 1HE LYS 7 0.912 -6.782 -4.163 83 1HZ LYS 7 1HZ LYS 7 2.330 -6.914 -2.405 84 2HZ LYS 7 2HZ LYS 7 1.254 -8.146 -1.947 85 3HZ LYS 7 3HZ LYS 7 1.127 -6.600 -1.251 86 H ILE 8 H ILE 8 2.830 -4.278 0.044 87 HA ILE 8 HA ILE 8 1.062 -6.274 0.866 88 HB ILE 8 HB ILE 8 3.563 -5.126 2.131 89 1HG1 ILE 8 2HG1 ILE 8 3.185 -7.611 0.460 90 2HG1 ILE 8 1HG1 ILE 8 3.559 -6.050 -0.253 91 1HG2 ILE 8 1HG2 ILE 8 3.689 -7.560 3.047 92 2HG2 ILE 8 2HG2 ILE 8 1.949 -7.594 2.765 93 3HG2 ILE 8 3HG2 ILE 8 2.638 -6.413 3.879 94 1HD1 ILE 8 1HD1 ILE 8 5.630 -7.304 0.096 95 2HD1 ILE 8 2HD1 ILE 8 5.233 -7.523 1.801 96 3HD1 ILE 8 3HD1 ILE 8 5.591 -5.912 1.179 97 H GLY 9 H GLY 9 1.781 -3.198 2.498 98 1HA GLY 9 2HA GLY 9 -0.217 -3.920 4.599 99 2HA GLY 9 1HA GLY 9 1.022 -2.679 4.779 100 H ILE 10 H ILE 10 0.564 -1.494 2.149 101 HA ILE 10 HA ILE 10 -1.785 0.148 2.864 102 HB ILE 10 HB ILE 10 0.248 0.302 0.617 103 1HG1 ILE 10 2HG1 ILE 10 0.567 2.323 2.611 104 2HG1 ILE 10 1HG1 ILE 10 0.475 0.765 3.435 105 1HG2 ILE 10 1HG2 ILE 10 -0.543 2.825 0.940 106 2HG2 ILE 10 2HG2 ILE 10 -2.013 2.042 1.520 107 3HG2 ILE 10 3HG2 ILE 10 -1.429 1.721 -0.113 108 1HD1 ILE 10 1HD1 ILE 10 2.128 0.722 1.002 109 2HD1 ILE 10 2HD1 ILE 10 2.473 0.079 2.607 110 3HD1 ILE 10 3HD1 ILE 10 2.747 1.786 2.264 111 H GLY 11 H GLY 11 -0.813 -2.182 0.394 112 1HA GLY 11 2HA GLY 11 -2.625 -1.793 -1.647 113 2HA GLY 11 1HA GLY 11 -2.190 -3.407 -1.083 114 H LYS 12 H LYS 12 -3.386 -3.956 1.114 115 HA LYS 12 HA LYS 12 -6.170 -4.158 0.577 116 1HB LYS 12 2HB LYS 12 -6.249 -4.992 2.891 117 2HB LYS 12 1HB LYS 12 -4.806 -5.599 2.079 118 1HG LYS 12 2HG LYS 12 -3.747 -3.363 3.071 119 2HG LYS 12 1HG LYS 12 -5.043 -3.561 4.253 120 1HD LYS 12 2HD LYS 12 -4.082 -6.114 4.100 121 2HD LYS 12 1HD LYS 12 -2.608 -5.181 3.841 122 1HE LYS 12 2HE LYS 12 -3.657 -3.778 5.909 123 2HE LYS 12 1HE LYS 12 -4.294 -5.395 6.278 124 1HZ LYS 12 1HZ LYS 12 -1.933 -4.837 7.067 125 2HZ LYS 12 2HZ LYS 12 -1.488 -5.021 5.437 126 3HZ LYS 12 3HZ LYS 12 -2.180 -6.321 6.284 127 H PHE 13 H PHE 13 -4.328 -1.584 2.057 128 HA PHE 13 HA PHE 13 -6.541 -0.360 3.487 129 1HB PHE 13 2HB PHE 13 -3.831 -0.155 3.495 130 2HB PHE 13 1HB PHE 13 -4.250 1.277 2.553 131 HD1 PHE 13 HD1 PHE 13 -6.744 2.202 3.657 132 HD2 PHE 13 HD2 PHE 13 -3.363 0.504 5.690 133 HE1 PHE 13 HE1 PHE 13 -7.405 3.379 5.738 134 HE2 PHE 13 HE2 PHE 13 -4.022 1.681 7.771 135 HZ PHE 13 HZ PHE 13 -6.043 3.119 7.795 136 H LEU 14 H LEU 14 -4.853 0.499 0.431 137 HA LEU 14 HA LEU 14 -6.554 2.665 -0.284 138 1HB LEU 14 2HB LEU 14 -4.374 1.179 -1.335 139 2HB LEU 14 1HB LEU 14 -5.623 1.189 -2.582 140 HG LEU 14 HG LEU 14 -4.043 3.162 -2.673 141 1HD1 LEU 14 1HD1 LEU 14 -6.089 3.483 -3.797 142 2HD1 LEU 14 2HD1 LEU 14 -6.017 4.857 -2.693 143 3HD1 LEU 14 3HD1 LEU 14 -7.020 3.460 -2.300 144 1HD2 LEU 14 1HD2 LEU 14 -4.192 3.238 -0.013 145 2HD2 LEU 14 2HD2 LEU 14 -5.549 4.312 -0.352 146 3HD2 LEU 14 3HD2 LEU 14 -3.939 4.712 -0.948 147 H HIS 15 H HIS 15 -6.877 -0.829 -0.825 148 HA HIS 15 HA HIS 15 -9.137 -0.676 -2.601 149 1HB HIS 15 2HB HIS 15 -7.386 -2.544 -1.966 150 2HB HIS 15 1HB HIS 15 -8.581 -2.947 -0.735 151 HD1 HIS 15 HD1 HIS 15 -9.867 -4.874 -1.595 152 HD2 HIS 15 HD2 HIS 15 -9.204 -2.048 -4.578 153 HE1 HIS 15 HE1 HIS 15 -11.104 -5.701 -3.649 154 H SER 16 H SER 16 -8.874 -1.511 0.818 155 HA SER 16 HA SER 16 -11.613 -1.705 1.439 156 1HB SER 16 2HB SER 16 -9.577 -2.290 2.834 157 2HB SER 16 1HB SER 16 -9.427 -0.574 3.201 158 HG SER 16 HG SER 16 -11.493 -0.654 4.117 159 H ALA 17 H ALA 17 -9.503 1.123 1.573 160 HA ALA 17 HA ALA 17 -11.391 3.024 2.518 161 1HB ALA 17 1HB ALA 17 -8.746 2.938 1.593 162 2HB ALA 17 2HB ALA 17 -9.577 4.356 2.235 163 3HB ALA 17 3HB ALA 17 -9.558 4.056 0.496 164 H LYS 18 H LYS 18 -10.737 1.797 -0.742 165 HA LYS 18 HA LYS 18 -12.704 3.593 -1.994 166 1HB LYS 18 2HB LYS 18 -10.428 2.210 -2.762 167 2HB LYS 18 1HB LYS 18 -11.724 1.254 -3.482 168 1HG LYS 18 2HG LYS 18 -12.593 3.737 -4.112 169 2HG LYS 18 1HG LYS 18 -10.853 4.026 -4.098 170 1HD LYS 18 2HD LYS 18 -10.577 2.027 -5.600 171 2HD LYS 18 1HD LYS 18 -12.335 1.939 -5.722 172 1HE LYS 18 2HE LYS 18 -11.546 3.198 -7.638 173 2HE LYS 18 1HE LYS 18 -12.277 4.367 -6.522 174 1HZ LYS 18 1HZ LYS 18 -9.686 4.035 -5.649 175 2HZ LYS 18 2HZ LYS 18 -10.313 5.384 -6.468 176 3HZ LYS 18 3HZ LYS 18 -9.557 4.136 -7.337 177 H LYS 19 H LYS 19 -12.950 0.853 -0.125 178 HA LYS 19 HA LYS 19 -15.679 0.301 -1.084 179 1HB LYS 19 2HB LYS 19 -13.384 -1.168 -1.981 180 2HB LYS 19 1HB LYS 19 -14.376 -2.232 -0.981 181 1HG LYS 19 2HG LYS 19 -15.938 -2.394 -2.593 182 2HG LYS 19 1HG LYS 19 -16.051 -0.639 -2.723 183 1HD LYS 19 2HD LYS 19 -13.650 -1.086 -3.939 184 2HD LYS 19 1HD LYS 19 -14.523 -2.556 -4.376 185 1HE LYS 19 2HE LYS 19 -15.938 -1.434 -5.771 186 2HE LYS 19 1HE LYS 19 -16.120 -0.079 -4.637 187 1HZ LYS 19 1HZ LYS 19 -14.824 0.909 -6.217 188 2HZ LYS 19 2HZ LYS 19 -14.057 -0.537 -6.670 189 3HZ LYS 19 3HZ LYS 19 -13.602 0.257 -5.239 190 H PHE 20 H PHE 20 -14.956 1.295 1.398 191 HA PHE 20 HA PHE 20 -15.900 -0.834 3.185 192 1HB PHE 20 2HB PHE 20 -13.300 -0.937 2.770 193 2HB PHE 20 1HB PHE 20 -13.264 0.433 3.880 194 HD1 PHE 20 HD1 PHE 20 -13.841 0.176 6.222 195 HD2 PHE 20 HD2 PHE 20 -14.111 -3.140 3.506 196 HE1 PHE 20 HE1 PHE 20 -14.065 -1.377 8.141 197 HE2 PHE 20 HE2 PHE 20 -14.335 -4.694 5.425 198 HZ PHE 20 HZ PHE 20 -14.312 -3.813 7.742 199 1HN NH2 21 1HN NH2 21 -16.431 2.117 2.276 200 2HN NH2 21 2HN NH2 21 -16.629 2.952 3.739 Start of MODEL 16 1 1H LYS 1 1H LYS 1 9.462 6.283 -15.390 2 2H LYS 1 2H LYS 1 9.918 4.811 -16.107 3 3H LYS 1 3H LYS 1 10.751 5.390 -14.743 4 HA LYS 1 HA LYS 1 7.856 4.898 -14.525 5 1HB LYS 1 2HB LYS 1 9.750 3.028 -15.487 6 2HB LYS 1 1HB LYS 1 9.457 2.600 -13.801 7 1HG LYS 1 2HG LYS 1 7.595 1.557 -14.545 8 2HG LYS 1 1HG LYS 1 6.918 3.174 -14.751 9 1HD LYS 1 2HD LYS 1 8.615 1.910 -16.900 10 2HD LYS 1 1HD LYS 1 6.883 1.595 -16.801 11 1HE LYS 1 2HE LYS 1 6.762 4.256 -16.620 12 2HE LYS 1 1HE LYS 1 8.303 4.137 -17.492 13 1HZ LYS 1 1HZ LYS 1 6.460 4.129 -19.051 14 2HZ LYS 1 2HZ LYS 1 5.757 2.802 -18.255 15 3HZ LYS 1 3HZ LYS 1 7.240 2.624 -19.066 16 H LEU 2 H LEU 2 7.900 6.330 -12.713 17 HA LEU 2 HA LEU 2 9.518 5.335 -10.394 18 1HB LEU 2 2HB LEU 2 9.595 7.849 -11.810 19 2HB LEU 2 1HB LEU 2 9.087 8.127 -10.143 20 HG LEU 2 HG LEU 2 11.094 6.351 -9.731 21 1HD1 LEU 2 1HD1 LEU 2 12.972 6.950 -11.207 22 2HD1 LEU 2 2HD1 LEU 2 11.910 8.004 -12.141 23 3HD1 LEU 2 3HD1 LEU 2 11.644 6.259 -12.140 24 1HD2 LEU 2 1HD2 LEU 2 10.806 8.567 -8.654 25 2HD2 LEU 2 2HD2 LEU 2 11.428 9.346 -10.109 26 3HD2 LEU 2 3HD2 LEU 2 12.478 8.305 -9.149 27 H LYS 3 H LYS 3 7.007 4.376 -10.613 28 HA LYS 3 HA LYS 3 5.214 6.161 -9.028 29 1HB LYS 3 2HB LYS 3 4.733 3.572 -10.544 30 2HB LYS 3 1HB LYS 3 3.481 4.555 -9.781 31 1HG LYS 3 2HG LYS 3 5.358 5.801 -11.774 32 2HG LYS 3 1HG LYS 3 3.965 4.876 -12.336 33 1HD LYS 3 2HD LYS 3 3.896 7.266 -10.470 34 2HD LYS 3 1HD LYS 3 3.346 7.233 -12.146 35 1HE LYS 3 2HE LYS 3 1.950 5.119 -11.053 36 2HE LYS 3 1HE LYS 3 1.970 6.293 -9.721 37 1HZ LYS 3 1HZ LYS 3 0.146 6.648 -11.367 38 2HZ LYS 3 2HZ LYS 3 1.331 7.005 -12.531 39 3HZ LYS 3 3HZ LYS 3 1.164 7.989 -11.157 40 H LEU 4 H LEU 4 7.141 5.370 -7.416 41 HA LEU 4 HA LEU 4 6.728 2.739 -6.217 42 1HB LEU 4 2HB LEU 4 8.604 4.931 -6.184 43 2HB LEU 4 1HB LEU 4 8.203 4.471 -4.528 44 HG LEU 4 HG LEU 4 8.784 2.164 -4.964 45 1HD1 LEU 4 1HD1 LEU 4 8.336 2.965 -7.685 46 2HD1 LEU 4 2HD1 LEU 4 8.568 1.338 -7.045 47 3HD1 LEU 4 3HD1 LEU 4 9.961 2.293 -7.550 48 1HD2 LEU 4 1HD2 LEU 4 11.212 2.517 -5.760 49 2HD2 LEU 4 2HD2 LEU 4 10.697 3.435 -4.346 50 3HD2 LEU 4 3HD2 LEU 4 10.783 4.220 -5.923 51 H PHE 5 H PHE 5 4.285 4.065 -6.199 52 HA PHE 5 HA PHE 5 3.932 5.147 -3.454 53 1HB PHE 5 2HB PHE 5 2.956 5.780 -6.002 54 2HB PHE 5 1HB PHE 5 1.587 5.054 -5.159 55 HD1 PHE 5 HD1 PHE 5 0.200 6.649 -4.195 56 HD2 PHE 5 HD2 PHE 5 4.451 7.264 -4.141 57 HE1 PHE 5 HE1 PHE 5 -0.119 8.742 -2.905 58 HE2 PHE 5 HE2 PHE 5 4.132 9.357 -2.849 59 HZ PHE 5 HZ PHE 5 1.847 10.096 -2.233 60 H LYS 6 H LYS 6 2.059 3.054 -5.590 61 HA LYS 6 HA LYS 6 0.823 1.646 -3.350 62 1HB LYS 6 2HB LYS 6 0.445 2.053 -6.154 63 2HB LYS 6 1HB LYS 6 0.502 0.313 -5.866 64 1HG LYS 6 2HG LYS 6 -1.120 2.003 -4.003 65 2HG LYS 6 1HG LYS 6 -1.774 1.662 -5.605 66 1HD LYS 6 2HD LYS 6 -0.823 -0.807 -4.796 67 2HD LYS 6 1HD LYS 6 -1.466 -0.126 -3.301 68 1HE LYS 6 2HE LYS 6 -3.002 -0.231 -5.923 69 2HE LYS 6 1HE LYS 6 -3.211 -1.380 -4.586 70 1HZ LYS 6 1HZ LYS 6 -3.381 1.562 -4.235 71 2HZ LYS 6 2HZ LYS 6 -3.831 0.356 -3.126 72 3HZ LYS 6 3HZ LYS 6 -4.742 0.596 -4.539 73 H LYS 7 H LYS 7 3.754 1.308 -5.094 74 HA LYS 7 HA LYS 7 4.006 -1.589 -4.901 75 1HB LYS 7 2HB LYS 7 5.206 0.464 -6.282 76 2HB LYS 7 1HB LYS 7 6.434 0.077 -5.076 77 1HG LYS 7 2HG LYS 7 5.113 -2.194 -6.505 78 2HG LYS 7 1HG LYS 7 6.311 -1.246 -7.388 79 1HD LYS 7 2HD LYS 7 7.098 -1.988 -4.637 80 2HD LYS 7 1HD LYS 7 6.936 -3.343 -5.755 81 1HE LYS 7 2HE LYS 7 8.834 -2.765 -6.857 82 2HE LYS 7 1HE LYS 7 8.325 -1.068 -6.973 83 1HZ LYS 7 1HZ LYS 7 8.965 -0.705 -4.709 84 2HZ LYS 7 2HZ LYS 7 10.287 -1.394 -5.522 85 3HZ LYS 7 3HZ LYS 7 9.332 -2.345 -4.488 86 H ILE 8 H ILE 8 3.917 0.708 -2.526 87 HA ILE 8 HA ILE 8 6.201 -0.080 -0.902 88 HB ILE 8 HB ILE 8 3.583 1.310 -0.233 89 1HG1 ILE 8 2HG1 ILE 8 6.299 2.359 -1.085 90 2HG1 ILE 8 1HG1 ILE 8 4.784 2.505 -1.978 91 1HG2 ILE 8 1HG2 ILE 8 6.231 1.495 1.219 92 2HG2 ILE 8 2HG2 ILE 8 4.976 0.348 1.687 93 3HG2 ILE 8 3HG2 ILE 8 4.657 2.081 1.758 94 1HD1 ILE 8 1HD1 ILE 8 5.156 4.604 -0.849 95 2HD1 ILE 8 2HD1 ILE 8 5.473 3.784 0.680 96 3HD1 ILE 8 3HD1 ILE 8 3.847 3.775 -0.005 97 H GLY 9 H GLY 9 2.679 -0.742 -0.682 98 1HA GLY 9 2HA GLY 9 2.290 -3.282 -0.276 99 2HA GLY 9 1HA GLY 9 3.322 -3.024 1.132 100 H ILE 10 H ILE 10 0.668 -1.059 -0.251 101 HA ILE 10 HA ILE 10 -0.769 -1.357 2.364 102 HB ILE 10 HB ILE 10 -0.528 1.178 0.720 103 1HG1 ILE 10 2HG1 ILE 10 1.009 0.552 3.250 104 2HG1 ILE 10 1HG1 ILE 10 1.685 0.252 1.650 105 1HG2 ILE 10 1HG2 ILE 10 -0.955 1.833 3.364 106 2HG2 ILE 10 2HG2 ILE 10 -1.901 0.355 3.188 107 3HG2 ILE 10 3HG2 ILE 10 -2.215 1.734 2.133 108 1HD1 ILE 10 1HD1 ILE 10 1.850 2.498 1.142 109 2HD1 ILE 10 2HD1 ILE 10 2.054 2.583 2.892 110 3HD1 ILE 10 3HD1 ILE 10 0.485 2.938 2.169 111 H GLY 11 H GLY 11 -0.983 -2.285 -0.662 112 1HA GLY 11 2HA GLY 11 -3.194 -1.218 -1.948 113 2HA GLY 11 1HA GLY 11 -2.838 -2.945 -1.958 114 H LYS 12 H LYS 12 -3.372 -3.861 0.478 115 HA LYS 12 HA LYS 12 -6.127 -4.145 0.693 116 1HB LYS 12 2HB LYS 12 -3.904 -5.005 2.032 117 2HB LYS 12 1HB LYS 12 -4.669 -3.995 3.261 118 1HG LYS 12 2HG LYS 12 -6.857 -5.264 2.505 119 2HG LYS 12 1HG LYS 12 -5.709 -6.476 1.935 120 1HD LYS 12 2HD LYS 12 -5.558 -7.253 4.040 121 2HD LYS 12 1HD LYS 12 -4.830 -5.717 4.512 122 1HE LYS 12 2HE LYS 12 -7.815 -5.822 4.235 123 2HE LYS 12 1HE LYS 12 -7.074 -6.546 5.677 124 1HZ LYS 12 1HZ LYS 12 -6.320 -3.862 4.674 125 2HZ LYS 12 2HZ LYS 12 -5.969 -4.550 6.189 126 3HZ LYS 12 3HZ LYS 12 -7.560 -4.085 5.811 127 H PHE 13 H PHE 13 -4.144 -1.737 2.474 128 HA PHE 13 HA PHE 13 -6.320 -0.480 3.837 129 1HB PHE 13 2HB PHE 13 -3.602 -0.305 3.813 130 2HB PHE 13 1HB PHE 13 -4.021 1.174 2.949 131 HD1 PHE 13 HD1 PHE 13 -2.943 0.497 5.954 132 HD2 PHE 13 HD2 PHE 13 -6.638 1.821 4.213 133 HE1 PHE 13 HE1 PHE 13 -3.563 1.585 8.095 134 HE2 PHE 13 HE2 PHE 13 -7.259 2.909 6.353 135 HZ PHE 13 HZ PHE 13 -5.721 2.789 8.295 136 H LEU 14 H LEU 14 -4.742 0.260 0.731 137 HA LEU 14 HA LEU 14 -6.381 2.547 0.093 138 1HB LEU 14 2HB LEU 14 -4.366 0.780 -1.142 139 2HB LEU 14 1HB LEU 14 -5.496 1.489 -2.295 140 HG LEU 14 HG LEU 14 -3.460 2.900 -1.898 141 1HD1 LEU 14 1HD1 LEU 14 -6.216 3.908 -1.197 142 2HD1 LEU 14 2HD1 LEU 14 -5.329 4.096 -2.710 143 3HD1 LEU 14 3HD1 LEU 14 -4.836 5.003 -1.278 144 1HD2 LEU 14 1HD2 LEU 14 -4.060 2.283 0.806 145 2HD2 LEU 14 2HD2 LEU 14 -4.312 4.018 0.618 146 3HD2 LEU 14 3HD2 LEU 14 -2.754 3.303 0.204 147 H HIS 15 H HIS 15 -6.738 -0.931 -0.371 148 HA HIS 15 HA HIS 15 -8.916 -0.805 -2.263 149 1HB HIS 15 2HB HIS 15 -7.188 -2.663 -1.533 150 2HB HIS 15 1HB HIS 15 -8.432 -3.054 -0.347 151 HD1 HIS 15 HD1 HIS 15 -9.333 -5.174 -1.373 152 HD2 HIS 15 HD2 HIS 15 -9.234 -2.021 -4.088 153 HE1 HIS 15 HE1 HIS 15 -10.571 -5.971 -3.436 154 H SER 16 H SER 16 -8.777 -1.575 1.178 155 HA SER 16 HA SER 16 -11.507 -1.834 1.736 156 1HB SER 16 2HB SER 16 -10.003 -2.379 3.450 157 2HB SER 16 1HB SER 16 -9.097 -0.881 3.251 158 HG SER 16 HG SER 16 -10.764 0.229 4.218 159 H ALA 17 H ALA 17 -9.605 1.078 1.360 160 HA ALA 17 HA ALA 17 -11.656 2.912 2.293 161 1HB ALA 17 1HB ALA 17 -9.775 4.162 2.278 162 2HB ALA 17 2HB ALA 17 -9.840 4.180 0.515 163 3HB ALA 17 3HB ALA 17 -8.931 2.922 1.353 164 H LYS 18 H LYS 18 -10.705 1.603 -0.866 165 HA LYS 18 HA LYS 18 -12.437 3.352 -2.407 166 1HB LYS 18 2HB LYS 18 -10.299 1.857 -2.961 167 2HB LYS 18 1HB LYS 18 -11.536 0.663 -3.357 168 1HG LYS 18 2HG LYS 18 -12.641 2.551 -4.736 169 2HG LYS 18 1HG LYS 18 -11.087 3.377 -4.595 170 1HD LYS 18 2HD LYS 18 -10.209 0.946 -5.348 171 2HD LYS 18 1HD LYS 18 -11.796 0.920 -6.117 172 1HE LYS 18 2HE LYS 18 -10.789 3.487 -6.663 173 2HE LYS 18 1HE LYS 18 -9.420 2.386 -6.916 174 1HZ LYS 18 1HZ LYS 18 -10.622 2.318 -8.914 175 2HZ LYS 18 2HZ LYS 18 -12.122 2.249 -8.121 176 3HZ LYS 18 3HZ LYS 18 -11.082 0.906 -8.095 177 H LYS 19 H LYS 19 -13.062 0.740 -0.372 178 HA LYS 19 HA LYS 19 -15.677 0.206 -1.749 179 1HB LYS 19 2HB LYS 19 -14.288 -1.740 -1.909 180 2HB LYS 19 1HB LYS 19 -13.761 -1.582 -0.233 181 1HG LYS 19 2HG LYS 19 -15.493 -3.367 -0.563 182 2HG LYS 19 1HG LYS 19 -15.986 -2.115 0.576 183 1HD LYS 19 2HD LYS 19 -17.853 -2.516 -0.894 184 2HD LYS 19 1HD LYS 19 -17.159 -0.958 -1.343 185 1HE LYS 19 2HE LYS 19 -16.553 -1.708 -3.407 186 2HE LYS 19 1HE LYS 19 -15.941 -3.241 -2.756 187 1HZ LYS 19 1HZ LYS 19 -18.179 -4.035 -2.501 188 2HZ LYS 19 2HZ LYS 19 -17.968 -3.529 -4.109 189 3HZ LYS 19 3HZ LYS 19 -18.819 -2.550 -3.013 190 H PHE 20 H PHE 20 -14.003 1.018 1.204 191 HA PHE 20 HA PHE 20 -16.642 1.347 2.566 192 1HB PHE 20 2HB PHE 20 -14.984 -0.763 3.039 193 2HB PHE 20 1HB PHE 20 -14.346 0.406 4.194 194 HD1 PHE 20 HD1 PHE 20 -15.824 1.384 5.943 195 HD2 PHE 20 HD2 PHE 20 -17.169 -1.741 3.321 196 HE1 PHE 20 HE1 PHE 20 -17.733 0.930 7.462 197 HE2 PHE 20 HE2 PHE 20 -19.076 -2.195 4.839 198 HZ PHE 20 HZ PHE 20 -19.358 -0.859 6.910 199 1HN NH2 21 1HN NH2 21 -13.792 2.797 1.558 200 2HN NH2 21 2HN NH2 21 -13.675 4.026 2.716 Start of MODEL 17 1 1H LYS 1 1H LYS 1 6.269 6.709 -5.463 2 2H LYS 1 2H LYS 1 6.041 7.555 -6.918 3 3H LYS 1 3H LYS 1 7.288 8.007 -5.855 4 HA LYS 1 HA LYS 1 7.313 6.037 -7.924 5 1HB LYS 1 2HB LYS 1 8.844 8.012 -7.366 6 2HB LYS 1 1HB LYS 1 9.479 7.023 -6.051 7 1HG LYS 1 2HG LYS 1 9.390 5.469 -8.481 8 2HG LYS 1 1HG LYS 1 10.271 6.970 -8.764 9 1HD LYS 1 2HD LYS 1 12.017 6.292 -7.504 10 2HD LYS 1 1HD LYS 1 10.959 5.759 -6.198 11 1HE LYS 1 2HE LYS 1 11.216 3.600 -6.825 12 2HE LYS 1 1HE LYS 1 10.691 3.987 -8.477 13 1HZ LYS 1 1HZ LYS 1 12.913 4.904 -8.897 14 2HZ LYS 1 2HZ LYS 1 12.976 3.250 -8.514 15 3HZ LYS 1 3HZ LYS 1 13.410 4.410 -7.352 16 H LEU 2 H LEU 2 6.562 3.997 -7.286 17 HA LEU 2 HA LEU 2 8.214 2.573 -5.272 18 1HB LEU 2 2HB LEU 2 5.419 3.474 -4.973 19 2HB LEU 2 1HB LEU 2 5.674 1.773 -4.584 20 HG LEU 2 HG LEU 2 7.741 3.573 -3.504 21 1HD1 LEU 2 1HD1 LEU 2 6.398 5.074 -2.500 22 2HD1 LEU 2 2HD1 LEU 2 5.558 3.758 -1.678 23 3HD1 LEU 2 3HD1 LEU 2 4.986 4.325 -3.247 24 1HD2 LEU 2 1HD2 LEU 2 6.790 2.166 -1.420 25 2HD2 LEU 2 2HD2 LEU 2 7.895 1.459 -2.599 26 3HD2 LEU 2 3HD2 LEU 2 6.161 1.164 -2.728 27 H LYS 3 H LYS 3 8.414 0.387 -5.807 28 HA LYS 3 HA LYS 3 6.650 -0.650 -7.998 29 1HB LYS 3 2HB LYS 3 9.660 -0.880 -7.669 30 2HB LYS 3 1HB LYS 3 8.725 -1.683 -8.932 31 1HG LYS 3 2HG LYS 3 7.846 0.898 -9.179 32 2HG LYS 3 1HG LYS 3 9.523 1.149 -8.696 33 1HD LYS 3 2HD LYS 3 10.087 0.772 -10.846 34 2HD LYS 3 1HD LYS 3 9.650 -0.916 -10.573 35 1HE LYS 3 2HE LYS 3 7.179 0.195 -10.986 36 2HE LYS 3 1HE LYS 3 8.189 1.176 -12.067 37 1HZ LYS 3 1HZ LYS 3 8.461 -1.768 -11.922 38 2HZ LYS 3 2HZ LYS 3 9.014 -0.715 -13.136 39 3HZ LYS 3 3HZ LYS 3 7.353 -1.033 -12.976 40 H LEU 4 H LEU 4 7.545 -1.018 -4.852 41 HA LEU 4 HA LEU 4 7.228 -4.001 -4.954 42 1HB LEU 4 2HB LEU 4 9.112 -2.175 -3.592 43 2HB LEU 4 1HB LEU 4 8.447 -3.439 -2.557 44 HG LEU 4 HG LEU 4 9.003 -4.928 -4.726 45 1HD1 LEU 4 1HD1 LEU 4 9.984 -2.603 -5.625 46 2HD1 LEU 4 2HD1 LEU 4 10.733 -4.147 -6.033 47 3HD1 LEU 4 3HD1 LEU 4 11.404 -3.157 -4.736 48 1HD2 LEU 4 1HD2 LEU 4 10.262 -5.895 -3.127 49 2HD2 LEU 4 2HD2 LEU 4 10.188 -4.414 -2.171 50 3HD2 LEU 4 3HD2 LEU 4 11.488 -4.645 -3.340 51 H PHE 5 H PHE 5 4.864 -2.916 -4.935 52 HA PHE 5 HA PHE 5 3.907 -1.923 -2.380 53 1HB PHE 5 2HB PHE 5 2.986 -2.406 -5.085 54 2HB PHE 5 1HB PHE 5 1.781 -2.943 -3.916 55 HD1 PHE 5 HD1 PHE 5 0.447 -1.382 -2.741 56 HD2 PHE 5 HD2 PHE 5 3.940 -0.043 -4.853 57 HE1 PHE 5 HE1 PHE 5 -0.214 0.974 -2.340 58 HE2 PHE 5 HE2 PHE 5 3.280 2.314 -4.450 59 HZ PHE 5 HZ PHE 5 1.202 2.823 -3.193 60 H LYS 6 H LYS 6 4.357 -5.037 -3.795 61 HA LYS 6 HA LYS 6 2.500 -6.538 -2.164 62 1HB LYS 6 2HB LYS 6 3.242 -7.507 -4.190 63 2HB LYS 6 1HB LYS 6 4.928 -7.108 -3.865 64 1HG LYS 6 2HG LYS 6 4.726 -8.722 -1.852 65 2HG LYS 6 1HG LYS 6 3.248 -9.290 -2.629 66 1HD LYS 6 2HD LYS 6 6.002 -9.228 -3.898 67 2HD LYS 6 1HD LYS 6 5.177 -10.669 -3.303 68 1HE LYS 6 2HE LYS 6 3.962 -8.866 -5.416 69 2HE LYS 6 1HE LYS 6 4.963 -10.275 -5.816 70 1HZ LYS 6 1HZ LYS 6 2.308 -10.363 -5.270 71 2HZ LYS 6 2HZ LYS 6 2.998 -10.799 -3.781 72 3HZ LYS 6 3HZ LYS 6 3.366 -11.684 -5.184 73 H LYS 7 H LYS 7 5.766 -5.352 -1.711 74 HA LYS 7 HA LYS 7 6.742 -7.032 0.317 75 1HB LYS 7 2HB LYS 7 7.699 -4.965 -0.993 76 2HB LYS 7 1HB LYS 7 7.108 -4.060 0.401 77 1HG LYS 7 2HG LYS 7 8.657 -6.527 0.989 78 2HG LYS 7 1HG LYS 7 9.565 -5.166 0.331 79 1HD LYS 7 2HD LYS 7 9.073 -3.786 2.148 80 2HD LYS 7 1HD LYS 7 7.626 -4.700 2.578 81 1HE LYS 7 2HE LYS 7 8.858 -5.854 4.087 82 2HE LYS 7 1HE LYS 7 9.834 -6.499 2.751 83 1HZ LYS 7 1HZ LYS 7 11.353 -4.794 2.908 84 2HZ LYS 7 2HZ LYS 7 10.960 -5.021 4.546 85 3HZ LYS 7 3HZ LYS 7 10.270 -3.738 3.674 86 H ILE 8 H ILE 8 5.338 -3.863 0.950 87 HA ILE 8 HA ILE 8 4.759 -4.557 3.732 88 HB ILE 8 HB ILE 8 3.902 -2.126 2.141 89 1HG1 ILE 8 2HG1 ILE 8 6.494 -2.313 3.663 90 2HG1 ILE 8 1HG1 ILE 8 6.425 -2.820 1.981 91 1HG2 ILE 8 1HG2 ILE 8 3.928 -2.925 4.956 92 2HG2 ILE 8 2HG2 ILE 8 3.064 -1.602 4.174 93 3HG2 ILE 8 3HG2 ILE 8 4.740 -1.384 4.679 94 1HD1 ILE 8 1HD1 ILE 8 6.726 -0.651 1.437 95 2HD1 ILE 8 2HD1 ILE 8 6.426 -0.126 3.095 96 3HD1 ILE 8 3HD1 ILE 8 5.073 -0.385 1.994 97 H GLY 9 H GLY 9 2.833 -3.915 0.794 98 1HA GLY 9 2HA GLY 9 0.721 -4.977 0.320 99 2HA GLY 9 1HA GLY 9 0.582 -5.402 2.028 100 H ILE 10 H ILE 10 1.464 -2.190 0.922 101 HA ILE 10 HA ILE 10 -0.446 -0.845 2.549 102 HB ILE 10 HB ILE 10 1.107 -0.084 0.061 103 1HG1 ILE 10 2HG1 ILE 10 1.517 0.410 3.029 104 2HG1 ILE 10 1HG1 ILE 10 2.473 -0.662 2.007 105 1HG2 ILE 10 1HG2 ILE 10 -0.560 1.616 1.933 106 2HG2 ILE 10 2HG2 ILE 10 -0.720 1.473 0.182 107 3HG2 ILE 10 3HG2 ILE 10 0.683 2.285 0.876 108 1HD1 ILE 10 1HD1 ILE 10 3.027 1.369 0.584 109 2HD1 ILE 10 2HD1 ILE 10 3.719 1.378 2.206 110 3HD1 ILE 10 3HD1 ILE 10 2.295 2.355 1.849 111 H GLY 11 H GLY 11 -0.857 -2.488 -0.448 112 1HA GLY 11 2HA GLY 11 -2.979 -0.933 -1.590 113 2HA GLY 11 1HA GLY 11 -2.676 -2.640 -1.924 114 H LYS 12 H LYS 12 -3.101 -3.900 0.419 115 HA LYS 12 HA LYS 12 -5.813 -4.313 0.689 116 1HB LYS 12 2HB LYS 12 -3.389 -4.688 2.275 117 2HB LYS 12 1HB LYS 12 -4.821 -4.522 3.289 118 1HG LYS 12 2HG LYS 12 -4.550 -6.868 2.742 119 2HG LYS 12 1HG LYS 12 -5.953 -6.254 1.866 120 1HD LYS 12 2HD LYS 12 -4.654 -6.028 -0.171 121 2HD LYS 12 1HD LYS 12 -3.170 -6.452 0.681 122 1HE LYS 12 2HE LYS 12 -3.750 -8.710 0.847 123 2HE LYS 12 1HE LYS 12 -5.489 -8.373 0.727 124 1HZ LYS 12 1HZ LYS 12 -4.709 -9.217 -1.373 125 2HZ LYS 12 2HZ LYS 12 -3.469 -8.057 -1.431 126 3HZ LYS 12 3HZ LYS 12 -5.094 -7.575 -1.553 127 H PHE 13 H PHE 13 -3.970 -1.612 2.009 128 HA PHE 13 HA PHE 13 -6.134 -0.683 3.753 129 1HB PHE 13 2HB PHE 13 -3.352 -0.225 3.297 130 2HB PHE 13 1HB PHE 13 -4.179 1.325 3.131 131 HD1 PHE 13 HD1 PHE 13 -6.516 0.675 5.013 132 HD2 PHE 13 HD2 PHE 13 -2.266 0.185 5.403 133 HE1 PHE 13 HE1 PHE 13 -6.725 0.826 7.479 134 HE2 PHE 13 HE2 PHE 13 -2.474 0.333 7.869 135 HZ PHE 13 HZ PHE 13 -4.703 0.654 8.907 136 H LEU 14 H LEU 14 -4.838 0.182 0.549 137 HA LEU 14 HA LEU 14 -6.577 2.486 0.201 138 1HB LEU 14 2HB LEU 14 -5.016 0.776 -1.760 139 2HB LEU 14 1HB LEU 14 -5.665 2.380 -2.098 140 HG LEU 14 HG LEU 14 -3.804 1.911 0.230 141 1HD1 LEU 14 1HD1 LEU 14 -3.168 2.209 -2.692 142 2HD1 LEU 14 2HD1 LEU 14 -2.392 1.190 -1.481 143 3HD1 LEU 14 3HD1 LEU 14 -2.090 2.927 -1.495 144 1HD2 LEU 14 1HD2 LEU 14 -4.987 4.028 0.237 145 2HD2 LEU 14 2HD2 LEU 14 -4.595 4.306 -1.460 146 3HD2 LEU 14 3HD2 LEU 14 -3.320 4.344 -0.240 147 H HIS 15 H HIS 15 -6.881 -0.963 -0.403 148 HA HIS 15 HA HIS 15 -9.080 -0.777 -2.280 149 1HB HIS 15 2HB HIS 15 -7.314 -2.660 -1.573 150 2HB HIS 15 1HB HIS 15 -8.634 -3.129 -0.507 151 HD1 HIS 15 HD1 HIS 15 -10.672 -1.915 -2.894 152 HD2 HIS 15 HD2 HIS 15 -7.982 -5.095 -3.083 153 HE1 HIS 15 HE1 HIS 15 -11.445 -3.396 -4.800 154 H SER 16 H SER 16 -8.833 -1.544 1.153 155 HA SER 16 HA SER 16 -11.592 -1.836 1.744 156 1HB SER 16 2HB SER 16 -9.483 -0.620 3.541 157 2HB SER 16 1HB SER 16 -10.860 -1.607 4.022 158 HG SER 16 HG SER 16 -9.817 -3.261 2.614 159 H ALA 17 H ALA 17 -9.755 0.937 0.952 160 HA ALA 17 HA ALA 17 -11.589 2.878 2.204 161 1HB ALA 17 1HB ALA 17 -8.953 2.780 0.943 162 2HB ALA 17 2HB ALA 17 -9.580 3.931 2.122 163 3HB ALA 17 3HB ALA 17 -9.890 4.171 0.402 164 H LYS 18 H LYS 18 -10.774 1.714 -1.066 165 HA LYS 18 HA LYS 18 -12.606 3.475 -2.435 166 1HB LYS 18 2HB LYS 18 -10.583 1.640 -3.034 167 2HB LYS 18 1HB LYS 18 -12.035 0.933 -3.745 168 1HG LYS 18 2HG LYS 18 -10.899 3.695 -4.247 169 2HG LYS 18 1HG LYS 18 -11.087 2.383 -5.412 170 1HD LYS 18 2HD LYS 18 -13.635 2.561 -4.652 171 2HD LYS 18 1HD LYS 18 -13.153 4.214 -4.270 172 1HE LYS 18 2HE LYS 18 -12.715 4.745 -6.496 173 2HE LYS 18 1HE LYS 18 -12.378 3.059 -6.936 174 1HZ LYS 18 1HZ LYS 18 -14.602 2.509 -6.925 175 2HZ LYS 18 2HZ LYS 18 -14.656 4.084 -7.562 176 3HZ LYS 18 3HZ LYS 18 -15.040 3.811 -5.931 177 H LYS 19 H LYS 19 -13.143 0.853 -0.403 178 HA LYS 19 HA LYS 19 -15.792 0.252 -1.682 179 1HB LYS 19 2HB LYS 19 -14.121 -1.388 0.251 180 2HB LYS 19 1HB LYS 19 -15.576 -1.926 -0.591 181 1HG LYS 19 2HG LYS 19 -13.426 -0.833 -2.316 182 2HG LYS 19 1HG LYS 19 -13.066 -2.371 -1.529 183 1HD LYS 19 2HD LYS 19 -14.713 -3.501 -2.674 184 2HD LYS 19 1HD LYS 19 -15.756 -2.083 -2.783 185 1HE LYS 19 2HE LYS 19 -13.203 -2.501 -4.385 186 2HE LYS 19 1HE LYS 19 -14.854 -2.663 -5.015 187 1HZ LYS 19 1HZ LYS 19 -13.357 -0.298 -4.582 188 2HZ LYS 19 2HZ LYS 19 -14.759 -0.261 -3.624 189 3HZ LYS 19 3HZ LYS 19 -14.879 -0.470 -5.307 190 H PHE 20 H PHE 20 -14.212 1.664 1.012 191 HA PHE 20 HA PHE 20 -16.833 1.969 2.406 192 1HB PHE 20 2HB PHE 20 -14.216 0.996 3.602 193 2HB PHE 20 1HB PHE 20 -15.645 1.419 4.547 194 HD1 PHE 20 HD1 PHE 20 -14.093 -1.067 2.374 195 HD2 PHE 20 HD2 PHE 20 -17.751 0.106 4.298 196 HE1 PHE 20 HE1 PHE 20 -15.025 -3.331 1.983 197 HE2 PHE 20 HE2 PHE 20 -18.683 -2.159 3.907 198 HZ PHE 20 HZ PHE 20 -17.320 -3.878 2.750 199 1HN NH2 21 1HN NH2 21 -13.450 3.038 1.979 200 2HN NH2 21 2HN NH2 21 -13.697 4.620 2.527 Start of MODEL 18 1 1H LYS 1 1H LYS 1 6.156 -13.402 -8.740 2 2H LYS 1 2H LYS 1 7.182 -12.632 -7.627 3 3H LYS 1 3H LYS 1 7.637 -14.114 -8.322 4 HA LYS 1 HA LYS 1 8.685 -11.961 -9.248 5 1HB LYS 1 2HB LYS 1 8.446 -14.482 -10.063 6 2HB LYS 1 1HB LYS 1 7.421 -13.747 -11.296 7 1HG LYS 1 2HG LYS 1 9.951 -12.310 -10.824 8 2HG LYS 1 1HG LYS 1 10.154 -13.940 -11.468 9 1HD LYS 1 2HD LYS 1 8.252 -11.907 -12.659 10 2HD LYS 1 1HD LYS 1 9.904 -12.143 -13.230 11 1HE LYS 1 2HE LYS 1 9.379 -14.552 -13.656 12 2HE LYS 1 1HE LYS 1 7.693 -14.229 -13.200 13 1HZ LYS 1 1HZ LYS 1 7.413 -12.754 -14.954 14 2HZ LYS 1 2HZ LYS 1 8.338 -13.992 -15.660 15 3HZ LYS 1 3HZ LYS 1 9.079 -12.539 -15.186 16 H LEU 2 H LEU 2 6.832 -10.328 -8.660 17 HA LEU 2 HA LEU 2 5.402 -9.632 -11.197 18 1HB LEU 2 2HB LEU 2 4.361 -10.420 -8.605 19 2HB LEU 2 1HB LEU 2 3.825 -8.790 -9.016 20 HG LEU 2 HG LEU 2 3.702 -10.775 -11.216 21 1HD1 LEU 2 1HD1 LEU 2 2.111 -11.000 -8.672 22 2HD1 LEU 2 2HD1 LEU 2 2.830 -12.281 -9.648 23 3HD1 LEU 2 3HD1 LEU 2 1.379 -11.451 -10.212 24 1HD2 LEU 2 1HD2 LEU 2 1.567 -8.899 -10.186 25 2HD2 LEU 2 2HD2 LEU 2 1.786 -9.510 -11.825 26 3HD2 LEU 2 3HD2 LEU 2 2.909 -8.317 -11.172 27 H LYS 3 H LYS 3 4.416 -7.243 -10.724 28 HA LYS 3 HA LYS 3 6.753 -5.609 -9.832 29 1HB LYS 3 2HB LYS 3 5.902 -5.382 -12.150 30 2HB LYS 3 1HB LYS 3 4.313 -4.949 -11.518 31 1HG LYS 3 2HG LYS 3 4.967 -2.838 -10.955 32 2HG LYS 3 1HG LYS 3 6.571 -3.364 -10.445 33 1HD LYS 3 2HD LYS 3 7.109 -3.713 -12.908 34 2HD LYS 3 1HD LYS 3 5.604 -2.866 -13.268 35 1HE LYS 3 2HE LYS 3 6.752 -1.156 -11.450 36 2HE LYS 3 1HE LYS 3 8.175 -1.777 -12.311 37 1HZ LYS 3 1HZ LYS 3 5.776 -1.075 -13.852 38 2HZ LYS 3 2HZ LYS 3 7.408 -1.041 -14.324 39 3HZ LYS 3 3HZ LYS 3 6.785 0.179 -13.317 40 H LEU 4 H LEU 4 5.412 -6.540 -7.649 41 HA LEU 4 HA LEU 4 4.145 -4.084 -6.591 42 1HB LEU 4 2HB LEU 4 2.262 -5.705 -5.713 43 2HB LEU 4 1HB LEU 4 2.170 -5.074 -7.354 44 HG LEU 4 HG LEU 4 3.450 -7.220 -8.045 45 1HD1 LEU 4 1HD1 LEU 4 2.707 -9.093 -6.347 46 2HD1 LEU 4 2HD1 LEU 4 2.726 -7.767 -5.185 47 3HD1 LEU 4 3HD1 LEU 4 4.196 -8.193 -6.061 48 1HD2 LEU 4 1HD2 LEU 4 1.045 -8.452 -7.373 49 2HD2 LEU 4 2HD2 LEU 4 1.353 -7.513 -8.834 50 3HD2 LEU 4 3HD2 LEU 4 0.640 -6.737 -7.420 51 H PHE 5 H PHE 5 6.347 -4.402 -5.468 52 HA PHE 5 HA PHE 5 6.637 -6.571 -3.557 53 1HB PHE 5 2HB PHE 5 7.995 -3.892 -3.934 54 2HB PHE 5 1HB PHE 5 8.550 -5.125 -2.802 55 HD1 PHE 5 HD1 PHE 5 7.975 -7.597 -4.365 56 HD2 PHE 5 HD2 PHE 5 9.707 -3.858 -5.579 57 HE1 PHE 5 HE1 PHE 5 9.175 -8.750 -6.203 58 HE2 PHE 5 HE2 PHE 5 10.905 -5.012 -7.420 59 HZ PHE 5 HZ PHE 5 10.639 -7.457 -7.731 60 H LYS 6 H LYS 6 7.000 -3.288 -2.474 61 HA LYS 6 HA LYS 6 5.854 -3.627 0.070 62 1HB LYS 6 2HB LYS 6 5.968 -1.168 -1.708 63 2HB LYS 6 1HB LYS 6 5.757 -1.145 0.043 64 1HG LYS 6 2HG LYS 6 8.069 -2.698 -1.001 65 2HG LYS 6 1HG LYS 6 8.178 -0.942 -1.117 66 1HD LYS 6 2HD LYS 6 7.493 -0.867 1.339 67 2HD LYS 6 1HD LYS 6 7.769 -2.608 1.372 68 1HE LYS 6 2HE LYS 6 9.887 -1.876 1.993 69 2HE LYS 6 1HE LYS 6 10.089 -1.856 0.230 70 1HZ LYS 6 1HZ LYS 6 9.443 0.429 0.160 71 2HZ LYS 6 2HZ LYS 6 10.681 0.280 1.313 72 3HZ LYS 6 3HZ LYS 6 9.066 0.439 1.813 73 H LYS 7 H LYS 7 4.246 -3.336 -2.988 74 HA LYS 7 HA LYS 7 1.755 -2.210 -2.150 75 1HB LYS 7 2HB LYS 7 2.775 -2.666 -4.488 76 2HB LYS 7 1HB LYS 7 2.117 -4.292 -4.300 77 1HG LYS 7 2HG LYS 7 -0.132 -3.292 -3.885 78 2HG LYS 7 1HG LYS 7 0.551 -1.697 -4.208 79 1HD LYS 7 2HD LYS 7 1.147 -3.723 -6.270 80 2HD LYS 7 1HD LYS 7 -0.563 -3.312 -6.121 81 1HE LYS 7 2HE LYS 7 0.078 -0.875 -6.263 82 2HE LYS 7 1HE LYS 7 1.736 -1.393 -6.628 83 1HZ LYS 7 1HZ LYS 7 0.287 -2.970 -8.248 84 2HZ LYS 7 2HZ LYS 7 0.993 -1.503 -8.731 85 3HZ LYS 7 3HZ LYS 7 -0.641 -1.552 -8.272 86 H ILE 8 H ILE 8 3.141 -5.323 -1.667 87 HA ILE 8 HA ILE 8 0.593 -6.703 -1.184 88 HB ILE 8 HB ILE 8 3.528 -7.374 -0.893 89 1HG1 ILE 8 2HG1 ILE 8 1.337 -7.884 -2.882 90 2HG1 ILE 8 1HG1 ILE 8 3.003 -7.397 -3.167 91 1HG2 ILE 8 1HG2 ILE 8 2.219 -8.581 0.830 92 2HG2 ILE 8 2HG2 ILE 8 2.814 -9.683 -0.411 93 3HG2 ILE 8 3HG2 ILE 8 1.127 -9.173 -0.422 94 1HD1 ILE 8 1HD1 ILE 8 3.008 -9.642 -3.852 95 2HD1 ILE 8 2HD1 ILE 8 1.921 -10.138 -2.554 96 3HD1 ILE 8 3HD1 ILE 8 3.602 -9.747 -2.195 97 H GLY 9 H GLY 9 2.624 -4.646 0.627 98 1HA GLY 9 2HA GLY 9 1.707 -5.848 3.201 99 2HA GLY 9 1HA GLY 9 3.067 -4.734 3.039 100 H ILE 10 H ILE 10 1.987 -2.705 1.521 101 HA ILE 10 HA ILE 10 -0.218 -1.689 3.288 102 HB ILE 10 HB ILE 10 1.805 -0.045 1.752 103 1HG1 ILE 10 2HG1 ILE 10 2.542 -0.138 4.476 104 2HG1 ILE 10 1HG1 ILE 10 2.279 -1.816 3.996 105 1HG2 ILE 10 1HG2 ILE 10 0.158 1.391 2.545 106 2HG2 ILE 10 2HG2 ILE 10 1.280 1.394 3.906 107 3HG2 ILE 10 3HG2 ILE 10 -0.173 0.396 3.963 108 1HD1 ILE 10 1HD1 ILE 10 4.596 -0.416 3.538 109 2HD1 ILE 10 2HD1 ILE 10 3.745 -0.205 2.008 110 3HD1 ILE 10 3HD1 ILE 10 4.083 -1.828 2.612 111 H GLY 11 H GLY 11 -0.898 -3.190 0.996 112 1HA GLY 11 2HA GLY 11 -1.735 -1.084 -0.957 113 2HA GLY 11 1HA GLY 11 -1.530 -2.787 -1.371 114 H LYS 12 H LYS 12 -2.826 -3.901 0.901 115 HA LYS 12 HA LYS 12 -5.551 -3.934 0.064 116 1HB LYS 12 2HB LYS 12 -4.713 -5.783 1.271 117 2HB LYS 12 1HB LYS 12 -3.996 -4.758 2.515 118 1HG LYS 12 2HG LYS 12 -6.229 -4.150 3.333 119 2HG LYS 12 1HG LYS 12 -6.974 -5.122 2.064 120 1HD LYS 12 2HD LYS 12 -6.670 -7.036 3.223 121 2HD LYS 12 1HD LYS 12 -4.989 -6.635 3.579 122 1HE LYS 12 2HE LYS 12 -5.700 -5.187 5.438 123 2HE LYS 12 1HE LYS 12 -7.401 -5.531 5.066 124 1HZ LYS 12 1HZ LYS 12 -6.640 -7.974 5.183 125 2HZ LYS 12 2HZ LYS 12 -6.900 -7.136 6.638 126 3HZ LYS 12 3HZ LYS 12 -5.319 -7.370 6.061 127 H PHE 13 H PHE 13 -3.811 -1.637 1.920 128 HA PHE 13 HA PHE 13 -5.946 -0.670 3.616 129 1HB PHE 13 2HB PHE 13 -3.186 -0.045 2.871 130 2HB PHE 13 1HB PHE 13 -4.147 1.404 3.164 131 HD1 PHE 13 HD1 PHE 13 -5.769 1.211 5.293 132 HD2 PHE 13 HD2 PHE 13 -2.164 -1.049 4.707 133 HE1 PHE 13 HE1 PHE 13 -5.618 0.819 7.737 134 HE2 PHE 13 HE2 PHE 13 -2.014 -1.444 7.151 135 HZ PHE 13 HZ PHE 13 -3.741 -0.508 8.666 136 H LEU 14 H LEU 14 -4.972 -0.045 0.293 137 HA LEU 14 HA LEU 14 -6.591 2.385 0.022 138 1HB LEU 14 2HB LEU 14 -4.474 1.108 -1.299 139 2HB LEU 14 1HB LEU 14 -5.823 1.020 -2.433 140 HG LEU 14 HG LEU 14 -5.504 3.625 -1.071 141 1HD1 LEU 14 1HD1 LEU 14 -3.178 2.410 -2.022 142 2HD1 LEU 14 2HD1 LEU 14 -3.412 4.137 -1.752 143 3HD1 LEU 14 3HD1 LEU 14 -3.693 3.450 -3.351 144 1HD2 LEU 14 1HD2 LEU 14 -6.792 4.181 -2.833 145 2HD2 LEU 14 2HD2 LEU 14 -6.707 2.514 -3.401 146 3HD2 LEU 14 3HD2 LEU 14 -5.511 3.693 -3.942 147 H HIS 15 H HIS 15 -6.932 -1.058 -0.790 148 HA HIS 15 HA HIS 15 -9.265 -0.879 -2.411 149 1HB HIS 15 2HB HIS 15 -7.594 -2.804 -1.836 150 2HB HIS 15 1HB HIS 15 -8.700 -3.124 -0.502 151 HD1 HIS 15 HD1 HIS 15 -11.265 -2.202 -2.265 152 HD2 HIS 15 HD2 HIS 15 -8.471 -5.133 -3.254 153 HE1 HIS 15 HE1 HIS 15 -12.402 -3.743 -3.923 154 H SER 16 H SER 16 -9.027 -1.771 0.991 155 HA SER 16 HA SER 16 -11.730 -1.880 1.673 156 1HB SER 16 2HB SER 16 -9.755 -2.468 3.083 157 2HB SER 16 1HB SER 16 -9.448 -0.749 3.315 158 HG SER 16 HG SER 16 -11.999 -1.786 3.854 159 H ALA 17 H ALA 17 -9.866 0.908 0.885 160 HA ALA 17 HA ALA 17 -11.612 2.860 2.195 161 1HB ALA 17 1HB ALA 17 -10.139 4.168 0.255 162 2HB ALA 17 2HB ALA 17 -9.150 2.746 0.584 163 3HB ALA 17 3HB ALA 17 -9.579 3.843 1.896 164 H LYS 18 H LYS 18 -10.966 2.019 -1.241 165 HA LYS 18 HA LYS 18 -12.970 3.614 -2.415 166 1HB LYS 18 2HB LYS 18 -11.217 2.400 -3.637 167 2HB LYS 18 1HB LYS 18 -11.938 0.861 -3.165 168 1HG LYS 18 2HG LYS 18 -14.048 2.308 -4.304 169 2HG LYS 18 1HG LYS 18 -12.665 2.634 -5.351 170 1HD LYS 18 2HD LYS 18 -13.507 -0.140 -4.465 171 2HD LYS 18 1HD LYS 18 -13.951 0.581 -6.013 172 1HE LYS 18 2HE LYS 18 -11.325 0.990 -6.196 173 2HE LYS 18 1HE LYS 18 -11.274 -0.388 -5.079 174 1HZ LYS 18 1HZ LYS 18 -12.524 -0.244 -7.758 175 2HZ LYS 18 2HZ LYS 18 -12.980 -1.428 -6.627 176 3HZ LYS 18 3HZ LYS 18 -11.378 -1.359 -7.191 177 H LYS 19 H LYS 19 -13.249 0.807 -0.465 178 HA LYS 19 HA LYS 19 -15.959 0.078 -1.351 179 1HB LYS 19 2HB LYS 19 -13.863 -1.252 -0.255 180 2HB LYS 19 1HB LYS 19 -14.793 -0.905 1.202 181 1HG LYS 19 2HG LYS 19 -16.437 -2.361 0.640 182 2HG LYS 19 1HG LYS 19 -16.432 -1.849 -1.050 183 1HD LYS 19 2HD LYS 19 -13.973 -3.242 -0.368 184 2HD LYS 19 1HD LYS 19 -15.387 -4.244 -0.038 185 1HE LYS 19 2HE LYS 19 -14.775 -4.639 -2.343 186 2HE LYS 19 1HE LYS 19 -16.218 -3.605 -2.376 187 1HZ LYS 19 1HZ LYS 19 -13.419 -2.606 -2.427 188 2HZ LYS 19 2HZ LYS 19 -14.828 -1.666 -2.549 189 3HZ LYS 19 3HZ LYS 19 -14.412 -2.743 -3.794 190 H PHE 20 H PHE 20 -14.415 1.795 1.347 191 HA PHE 20 HA PHE 20 -17.051 2.956 2.072 192 1HB PHE 20 2HB PHE 20 -15.473 0.958 3.583 193 2HB PHE 20 1HB PHE 20 -16.046 2.326 4.534 194 HD1 PHE 20 HD1 PHE 20 -18.325 2.482 5.193 195 HD2 PHE 20 HD2 PHE 20 -17.159 -0.328 2.161 196 HE1 PHE 20 HE1 PHE 20 -20.595 1.481 5.246 197 HE2 PHE 20 HE2 PHE 20 -19.428 -1.329 2.216 198 HZ PHE 20 HZ PHE 20 -21.144 -0.425 3.758 199 1HN NH2 21 1HN NH2 21 -13.504 2.894 2.545 200 2HN NH2 21 2HN NH2 21 -13.358 4.531 2.962 Start of MODEL 19 1 1H LYS 1 1H LYS 1 7.963 -8.702 -13.863 2 2H LYS 1 2H LYS 1 7.263 -7.720 -15.060 3 3H LYS 1 3H LYS 1 6.555 -9.212 -14.660 4 HA LYS 1 HA LYS 1 6.543 -6.686 -13.128 5 1HB LYS 1 2HB LYS 1 4.757 -8.480 -14.604 6 2HB LYS 1 1HB LYS 1 4.130 -8.062 -13.008 7 1HG LYS 1 2HG LYS 1 4.705 -5.629 -13.594 8 2HG LYS 1 1HG LYS 1 4.895 -6.192 -15.255 9 1HD LYS 1 2HD LYS 1 2.617 -6.911 -15.373 10 2HD LYS 1 1HD LYS 1 2.399 -6.727 -13.632 11 1HE LYS 1 2HE LYS 1 3.127 -4.203 -14.195 12 2HE LYS 1 1HE LYS 1 2.417 -4.635 -15.763 13 1HZ LYS 1 1HZ LYS 1 0.942 -3.853 -13.708 14 2HZ LYS 1 2HZ LYS 1 0.986 -5.521 -13.384 15 3HZ LYS 1 3HZ LYS 1 0.379 -4.956 -14.867 16 H LEU 2 H LEU 2 8.195 -7.853 -11.613 17 HA LEU 2 HA LEU 2 6.755 -9.736 -9.773 18 1HB LEU 2 2HB LEU 2 9.592 -9.372 -10.686 19 2HB LEU 2 1HB LEU 2 9.286 -10.118 -9.117 20 HG LEU 2 HG LEU 2 7.980 -11.048 -11.686 21 1HD1 LEU 2 1HD1 LEU 2 10.371 -12.228 -10.238 22 2HD1 LEU 2 2HD1 LEU 2 10.459 -11.323 -11.749 23 3HD1 LEU 2 3HD1 LEU 2 9.611 -12.867 -11.695 24 1HD2 LEU 2 1HD2 LEU 2 8.109 -13.119 -9.836 25 2HD2 LEU 2 2HD2 LEU 2 6.687 -12.133 -10.175 26 3HD2 LEU 2 3HD2 LEU 2 7.757 -11.706 -8.841 27 H LYS 3 H LYS 3 6.001 -7.233 -9.217 28 HA LYS 3 HA LYS 3 7.567 -6.544 -6.774 29 1HB LYS 3 2HB LYS 3 7.678 -4.224 -7.454 30 2HB LYS 3 1HB LYS 3 8.286 -5.195 -8.794 31 1HG LYS 3 2HG LYS 3 5.977 -5.136 -9.794 32 2HG LYS 3 1HG LYS 3 5.516 -3.996 -8.529 33 1HD LYS 3 2HD LYS 3 7.170 -2.393 -9.283 34 2HD LYS 3 1HD LYS 3 7.824 -3.552 -10.442 35 1HE LYS 3 2HE LYS 3 6.183 -3.121 -11.965 36 2HE LYS 3 1HE LYS 3 4.919 -3.087 -10.719 37 1HZ LYS 3 1HZ LYS 3 5.660 -0.926 -10.019 38 2HZ LYS 3 2HZ LYS 3 5.352 -0.875 -11.689 39 3HZ LYS 3 3HZ LYS 3 6.951 -0.956 -11.120 40 H LEU 4 H LEU 4 4.691 -7.484 -7.907 41 HA LEU 4 HA LEU 4 3.060 -5.541 -6.329 42 1HB LEU 4 2HB LEU 4 2.514 -7.574 -8.497 43 2HB LEU 4 1HB LEU 4 1.204 -6.830 -7.579 44 HG LEU 4 HG LEU 4 2.944 -4.729 -8.349 45 1HD1 LEU 4 1HD1 LEU 4 3.552 -5.076 -10.514 46 2HD1 LEU 4 2HD1 LEU 4 2.064 -5.943 -10.893 47 3HD1 LEU 4 3HD1 LEU 4 3.396 -6.784 -10.100 48 1HD2 LEU 4 1HD2 LEU 4 0.677 -4.213 -8.169 49 2HD2 LEU 4 2HD2 LEU 4 0.174 -5.668 -9.027 50 3HD2 LEU 4 3HD2 LEU 4 0.862 -4.312 -9.920 51 H PHE 5 H PHE 5 4.513 -7.167 -4.665 52 HA PHE 5 HA PHE 5 2.563 -9.272 -3.799 53 1HB PHE 5 2HB PHE 5 5.379 -9.274 -4.352 54 2HB PHE 5 1HB PHE 5 5.140 -9.628 -2.640 55 HD1 PHE 5 HD1 PHE 5 4.671 -10.821 -6.064 56 HD2 PHE 5 HD2 PHE 5 3.716 -11.548 -1.939 57 HE1 PHE 5 HE1 PHE 5 3.959 -13.127 -6.635 58 HE2 PHE 5 HE2 PHE 5 3.003 -13.854 -2.511 59 HZ PHE 5 HZ PHE 5 3.125 -14.643 -4.858 60 H LYS 6 H LYS 6 4.325 -6.442 -2.955 61 HA LYS 6 HA LYS 6 3.912 -6.704 -0.052 62 1HB LYS 6 2HB LYS 6 5.318 -4.968 -1.984 63 2HB LYS 6 1HB LYS 6 4.707 -4.125 -0.561 64 1HG LYS 6 2HG LYS 6 6.235 -6.710 -0.293 65 2HG LYS 6 1HG LYS 6 7.076 -5.165 -0.421 66 1HD LYS 6 2HD LYS 6 6.446 -4.501 1.668 67 2HD LYS 6 1HD LYS 6 4.841 -5.218 1.517 68 1HE LYS 6 2HE LYS 6 5.924 -6.549 3.172 69 2HE LYS 6 1HE LYS 6 6.086 -7.504 1.684 70 1HZ LYS 6 1HZ LYS 6 8.215 -7.177 2.904 71 2HZ LYS 6 2HZ LYS 6 8.089 -5.511 2.599 72 3HZ LYS 6 3HZ LYS 6 8.244 -6.603 1.308 73 H LYS 7 H LYS 7 2.040 -5.681 -2.707 74 HA LYS 7 HA LYS 7 0.584 -3.554 -1.314 75 1HB LYS 7 2HB LYS 7 0.453 -4.993 -3.949 76 2HB LYS 7 1HB LYS 7 -0.887 -3.956 -3.452 77 1HG LYS 7 2HG LYS 7 1.100 -2.264 -2.905 78 2HG LYS 7 1HG LYS 7 1.928 -3.219 -4.136 79 1HD LYS 7 2HD LYS 7 -0.852 -2.377 -4.768 80 2HD LYS 7 1HD LYS 7 0.372 -1.104 -4.750 81 1HE LYS 7 2HE LYS 7 0.616 -3.701 -6.313 82 2HE LYS 7 1HE LYS 7 0.164 -2.135 -7.011 83 1HZ LYS 7 1HZ LYS 7 2.729 -3.046 -6.528 84 2HZ LYS 7 2HZ LYS 7 2.443 -1.872 -5.333 85 3HZ LYS 7 3HZ LYS 7 2.275 -1.475 -6.977 86 H ILE 8 H ILE 8 0.483 -6.945 -1.305 87 HA ILE 8 HA ILE 8 -2.324 -7.465 -1.060 88 HB ILE 8 HB ILE 8 0.105 -8.817 0.170 89 1HG1 ILE 8 2HG1 ILE 8 -1.406 -9.363 -2.407 90 2HG1 ILE 8 1HG1 ILE 8 0.186 -8.608 -2.299 91 1HG2 ILE 8 1HG2 ILE 8 -2.609 -10.014 -0.439 92 2HG2 ILE 8 2HG2 ILE 8 -2.162 -9.410 1.156 93 3HG2 ILE 8 3HG2 ILE 8 -1.278 -10.760 0.446 94 1HD1 ILE 8 1HD1 ILE 8 1.197 -10.611 -2.099 95 2HD1 ILE 8 2HD1 ILE 8 -0.358 -11.362 -2.453 96 3HD1 ILE 8 3HD1 ILE 8 0.122 -11.077 -0.781 97 H GLY 9 H GLY 9 0.031 -6.073 1.083 98 1HA GLY 9 2HA GLY 9 -1.976 -6.075 3.303 99 2HA GLY 9 1HA GLY 9 -0.230 -6.034 3.567 100 H ILE 10 H ILE 10 0.484 -4.157 1.587 101 HA ILE 10 HA ILE 10 -0.257 -1.664 2.928 102 HB ILE 10 HB ILE 10 1.376 -2.276 0.440 103 1HG1 ILE 10 2HG1 ILE 10 2.450 -1.593 3.174 104 2HG1 ILE 10 1HG1 ILE 10 2.041 -3.260 2.763 105 1HG2 ILE 10 1HG2 ILE 10 0.552 0.094 0.663 106 2HG2 ILE 10 2HG2 ILE 10 2.310 -0.055 0.714 107 3HG2 ILE 10 3HG2 ILE 10 1.402 0.189 2.207 108 1HD1 ILE 10 1HD1 ILE 10 3.994 -1.471 1.289 109 2HD1 ILE 10 2HD1 ILE 10 3.519 -3.084 0.757 110 3HD1 ILE 10 3HD1 ILE 10 4.398 -2.878 2.273 111 H GLY 11 H GLY 11 -1.122 -3.359 -0.036 112 1HA GLY 11 2HA GLY 11 -2.450 -1.088 -1.273 113 2HA GLY 11 1HA GLY 11 -2.606 -2.774 -1.774 114 H LYS 12 H LYS 12 -3.602 -3.999 0.459 115 HA LYS 12 HA LYS 12 -6.341 -3.696 0.407 116 1HB LYS 12 2HB LYS 12 -5.350 -5.492 1.616 117 2HB LYS 12 1HB LYS 12 -4.416 -4.395 2.635 118 1HG LYS 12 2HG LYS 12 -6.260 -3.812 3.934 119 2HG LYS 12 1HG LYS 12 -7.413 -4.230 2.666 120 1HD LYS 12 2HD LYS 12 -7.461 -5.896 4.489 121 2HD LYS 12 1HD LYS 12 -6.904 -6.621 2.981 122 1HE LYS 12 2HE LYS 12 -5.330 -7.415 4.560 123 2HE LYS 12 1HE LYS 12 -4.509 -5.999 3.876 124 1HZ LYS 12 1HZ LYS 12 -6.342 -5.743 6.180 125 2HZ LYS 12 2HZ LYS 12 -5.129 -4.669 5.664 126 3HZ LYS 12 3HZ LYS 12 -4.708 -6.137 6.411 127 H PHE 13 H PHE 13 -4.058 -1.800 2.391 128 HA PHE 13 HA PHE 13 -5.865 -0.330 3.982 129 1HB PHE 13 2HB PHE 13 -3.131 -0.315 3.236 130 2HB PHE 13 1HB PHE 13 -3.720 1.320 2.937 131 HD1 PHE 13 HD1 PHE 13 -4.042 -1.378 5.536 132 HD2 PHE 13 HD2 PHE 13 -3.666 2.822 4.715 133 HE1 PHE 13 HE1 PHE 13 -3.970 -0.907 7.970 134 HE2 PHE 13 HE2 PHE 13 -3.594 3.293 7.149 135 HZ PHE 13 HZ PHE 13 -3.746 1.427 8.777 136 H LEU 14 H LEU 14 -5.084 -0.044 0.573 137 HA LEU 14 HA LEU 14 -6.646 2.469 0.288 138 1HB LEU 14 2HB LEU 14 -4.436 2.065 -0.834 139 2HB LEU 14 1HB LEU 14 -5.181 0.750 -1.743 140 HG LEU 14 HG LEU 14 -6.960 2.774 -2.202 141 1HD1 LEU 14 1HD1 LEU 14 -5.478 4.380 -1.008 142 2HD1 LEU 14 2HD1 LEU 14 -5.673 4.797 -2.712 143 3HD1 LEU 14 3HD1 LEU 14 -4.191 4.016 -2.158 144 1HD2 LEU 14 1HD2 LEU 14 -4.948 3.015 -4.192 145 2HD2 LEU 14 2HD2 LEU 14 -6.407 2.026 -4.256 146 3HD2 LEU 14 3HD2 LEU 14 -4.905 1.344 -3.631 147 H HIS 15 H HIS 15 -6.646 -0.869 -1.021 148 HA HIS 15 HA HIS 15 -8.954 -0.840 -2.573 149 1HB HIS 15 2HB HIS 15 -7.245 -2.687 -1.978 150 2HB HIS 15 1HB HIS 15 -8.298 -3.026 -0.610 151 HD1 HIS 15 HD1 HIS 15 -11.049 -2.944 -1.661 152 HD2 HIS 15 HD2 HIS 15 -7.929 -4.445 -3.982 153 HE1 HIS 15 HE1 HIS 15 -12.111 -4.436 -3.411 154 H SER 16 H SER 16 -8.837 -1.773 0.822 155 HA SER 16 HA SER 16 -11.611 -1.847 1.341 156 1HB SER 16 2HB SER 16 -10.796 -1.400 3.725 157 2HB SER 16 1HB SER 16 -10.004 -2.737 2.896 158 HG SER 16 HG SER 16 -8.883 -0.624 3.956 159 H ALA 17 H ALA 17 -9.525 0.819 0.804 160 HA ALA 17 HA ALA 17 -11.093 2.848 2.181 161 1HB ALA 17 1HB ALA 17 -8.577 2.708 1.353 162 2HB ALA 17 2HB ALA 17 -9.409 4.261 1.403 163 3HB ALA 17 3HB ALA 17 -9.251 3.395 -0.124 164 H LYS 18 H LYS 18 -11.027 1.465 -1.072 165 HA LYS 18 HA LYS 18 -12.836 3.501 -2.164 166 1HB LYS 18 2HB LYS 18 -11.173 1.276 -3.067 167 2HB LYS 18 1HB LYS 18 -12.734 1.311 -3.888 168 1HG LYS 18 2HG LYS 18 -12.166 3.921 -4.030 169 2HG LYS 18 1HG LYS 18 -10.515 3.303 -3.950 170 1HD LYS 18 2HD LYS 18 -12.416 1.955 -5.820 171 2HD LYS 18 1HD LYS 18 -11.792 3.540 -6.281 172 1HE LYS 18 2HE LYS 18 -9.523 2.217 -5.361 173 2HE LYS 18 1HE LYS 18 -10.411 0.960 -6.244 174 1HZ LYS 18 1HZ LYS 18 -10.639 2.407 -8.117 175 2HZ LYS 18 2HZ LYS 18 -8.994 2.359 -7.698 176 3HZ LYS 18 3HZ LYS 18 -9.943 3.705 -7.276 177 H LYS 19 H LYS 19 -13.076 0.451 -0.580 178 HA LYS 19 HA LYS 19 -15.866 -0.022 -1.454 179 1HB LYS 19 2HB LYS 19 -14.404 -1.930 -1.274 180 2HB LYS 19 1HB LYS 19 -13.887 -1.453 0.342 181 1HG LYS 19 2HG LYS 19 -15.651 -2.482 1.297 182 2HG LYS 19 1HG LYS 19 -16.780 -1.692 0.197 183 1HD LYS 19 2HD LYS 19 -16.949 -4.071 -0.176 184 2HD LYS 19 1HD LYS 19 -16.111 -3.373 -1.564 185 1HE LYS 19 2HE LYS 19 -14.032 -4.245 -0.917 186 2HE LYS 19 1HE LYS 19 -14.519 -4.399 0.783 187 1HZ LYS 19 1HZ LYS 19 -14.624 -6.398 -1.047 188 2HZ LYS 19 2HZ LYS 19 -16.226 -5.833 -1.037 189 3HZ LYS 19 3HZ LYS 19 -15.498 -6.357 0.405 190 H PHE 20 H PHE 20 -14.220 1.699 0.980 191 HA PHE 20 HA PHE 20 -16.715 1.815 2.638 192 1HB PHE 20 2HB PHE 20 -15.135 0.556 3.895 193 2HB PHE 20 1HB PHE 20 -13.792 1.574 3.376 194 HD1 PHE 20 HD1 PHE 20 -16.507 1.157 5.768 195 HD2 PHE 20 HD2 PHE 20 -13.592 3.917 4.240 196 HE1 PHE 20 HE1 PHE 20 -16.829 2.599 7.760 197 HE2 PHE 20 HE2 PHE 20 -13.915 5.360 6.232 198 HZ PHE 20 HZ PHE 20 -15.533 4.700 7.991 199 1HN NH2 21 1HN NH2 21 -13.921 3.498 1.244 200 2HN NH2 21 2HN NH2 21 -14.463 5.064 1.578 Start of MODEL 20 1 1H LYS 1 1H LYS 1 14.425 5.449 4.024 2 2H LYS 1 2H LYS 1 15.945 5.623 3.286 3 3H LYS 1 3H LYS 1 15.668 4.350 4.375 4 HA LYS 1 HA LYS 1 14.336 4.669 1.731 5 1HB LYS 1 2HB LYS 1 16.871 3.565 2.686 6 2HB LYS 1 1HB LYS 1 15.902 2.363 1.833 7 1HG LYS 1 2HG LYS 1 16.241 3.363 -0.164 8 2HG LYS 1 1HG LYS 1 15.878 4.959 0.491 9 1HD LYS 1 2HD LYS 1 18.144 5.131 1.408 10 2HD LYS 1 1HD LYS 1 18.517 3.505 0.833 11 1HE LYS 1 2HE LYS 1 17.619 5.712 -1.042 12 2HE LYS 1 1HE LYS 1 19.328 5.394 -0.684 13 1HZ LYS 1 1HZ LYS 1 17.338 3.510 -1.824 14 2HZ LYS 1 2HZ LYS 1 18.844 3.010 -1.217 15 3HZ LYS 1 3HZ LYS 1 18.769 4.063 -2.549 16 H LEU 2 H LEU 2 12.245 4.155 2.611 17 HA LEU 2 HA LEU 2 11.779 1.973 4.444 18 1HB LEU 2 2HB LEU 2 10.277 3.899 2.783 19 2HB LEU 2 1HB LEU 2 9.425 2.385 3.093 20 HG LEU 2 HG LEU 2 9.910 2.672 5.533 21 1HD1 LEU 2 1HD1 LEU 2 11.824 4.060 5.590 22 2HD1 LEU 2 2HD1 LEU 2 10.521 5.112 6.141 23 3HD1 LEU 2 3HD1 LEU 2 11.111 5.234 4.484 24 1HD2 LEU 2 1HD2 LEU 2 8.123 4.185 5.893 25 2HD2 LEU 2 2HD2 LEU 2 7.812 3.534 4.284 26 3HD2 LEU 2 3HD2 LEU 2 8.528 5.136 4.463 27 H LYS 3 H LYS 3 13.117 0.293 3.285 28 HA LYS 3 HA LYS 3 11.937 -0.758 0.770 29 1HB LYS 3 2HB LYS 3 14.496 -0.711 2.123 30 2HB LYS 3 1HB LYS 3 14.061 -2.369 1.707 31 1HG LYS 3 2HG LYS 3 13.356 -0.788 -0.528 32 2HG LYS 3 1HG LYS 3 14.960 -0.250 -0.033 33 1HD LYS 3 2HD LYS 3 15.128 -3.008 0.192 34 2HD LYS 3 1HD LYS 3 14.147 -2.781 -1.257 35 1HE LYS 3 2HE LYS 3 16.866 -1.525 -0.725 36 2HE LYS 3 1HE LYS 3 16.504 -2.796 -1.911 37 1HZ LYS 3 1HZ LYS 3 16.310 -0.878 -3.169 38 2HZ LYS 3 2HZ LYS 3 15.633 0.023 -1.897 39 3HZ LYS 3 3HZ LYS 3 14.704 -1.152 -2.699 40 H LEU 4 H LEU 4 10.546 -0.942 3.443 41 HA LEU 4 HA LEU 4 9.875 -3.807 3.287 42 1HB LEU 4 2HB LEU 4 11.908 -2.958 4.974 43 2HB LEU 4 1HB LEU 4 10.503 -3.001 6.041 44 HG LEU 4 HG LEU 4 10.148 -5.335 4.708 45 1HD1 LEU 4 1HD1 LEU 4 13.008 -5.700 5.187 46 2HD1 LEU 4 2HD1 LEU 4 12.690 -4.549 3.889 47 3HD1 LEU 4 3HD1 LEU 4 12.035 -6.184 3.798 48 1HD2 LEU 4 1HD2 LEU 4 11.736 -4.690 7.195 49 2HD2 LEU 4 2HD2 LEU 4 11.443 -6.357 6.702 50 3HD2 LEU 4 3HD2 LEU 4 10.085 -5.298 7.078 51 H PHE 5 H PHE 5 7.832 -2.676 2.678 52 HA PHE 5 HA PHE 5 6.108 -2.271 5.000 53 1HB PHE 5 2HB PHE 5 7.412 -0.067 3.586 54 2HB PHE 5 1HB PHE 5 5.660 0.113 3.660 55 HD1 PHE 5 HD1 PHE 5 8.670 0.706 5.387 56 HD2 PHE 5 HD2 PHE 5 4.594 -0.482 6.033 57 HE1 PHE 5 HE1 PHE 5 8.841 1.411 7.759 58 HE2 PHE 5 HE2 PHE 5 4.764 0.222 8.405 59 HZ PHE 5 HZ PHE 5 6.888 1.169 9.268 60 H LYS 6 H LYS 6 6.549 -2.043 1.531 61 HA LYS 6 HA LYS 6 3.776 -1.976 0.783 62 1HB LYS 6 2HB LYS 6 6.372 -2.028 -0.404 63 2HB LYS 6 1HB LYS 6 5.411 -3.295 -1.169 64 1HG LYS 6 2HG LYS 6 4.246 -1.762 -2.331 65 2HG LYS 6 1HG LYS 6 3.786 -0.942 -0.839 66 1HD LYS 6 2HD LYS 6 4.986 0.690 -2.082 67 2HD LYS 6 1HD LYS 6 6.136 0.100 -0.881 68 1HE LYS 6 2HE LYS 6 6.527 -1.673 -2.960 69 2HE LYS 6 1HE LYS 6 6.221 -0.147 -3.813 70 1HZ LYS 6 1HZ LYS 6 8.425 0.105 -3.305 71 2HZ LYS 6 2HZ LYS 6 8.324 -0.802 -1.871 72 3HZ LYS 6 3HZ LYS 6 7.734 0.791 -1.917 73 H LYS 7 H LYS 7 6.097 -4.671 1.160 74 HA LYS 7 HA LYS 7 4.102 -6.690 0.441 75 1HB LYS 7 2HB LYS 7 5.941 -8.203 0.816 76 2HB LYS 7 1HB LYS 7 6.614 -6.756 0.063 77 1HG LYS 7 2HG LYS 7 7.348 -5.911 2.220 78 2HG LYS 7 1HG LYS 7 6.555 -7.247 3.053 79 1HD LYS 7 2HD LYS 7 8.553 -8.304 2.905 80 2HD LYS 7 1HD LYS 7 8.142 -8.553 1.208 81 1HE LYS 7 2HE LYS 7 9.158 -5.907 1.399 82 2HE LYS 7 1HE LYS 7 10.274 -6.954 2.299 83 1HZ LYS 7 1HZ LYS 7 9.818 -8.538 0.280 84 2HZ LYS 7 2HZ LYS 7 11.004 -7.326 0.178 85 3HZ LYS 7 3HZ LYS 7 9.474 -7.083 -0.521 86 H ILE 8 H ILE 8 4.331 -4.803 3.119 87 HA ILE 8 HA ILE 8 3.962 -6.883 5.175 88 HB ILE 8 HB ILE 8 3.813 -3.853 5.169 89 1HG1 ILE 8 2HG1 ILE 8 5.969 -5.869 5.824 90 2HG1 ILE 8 1HG1 ILE 8 6.044 -4.535 4.676 91 1HG2 ILE 8 1HG2 ILE 8 4.342 -5.310 7.684 92 2HG2 ILE 8 2HG2 ILE 8 2.708 -5.509 7.051 93 3HG2 ILE 8 3HG2 ILE 8 3.329 -3.895 7.395 94 1HD1 ILE 8 1HD1 ILE 8 6.474 -4.527 7.592 95 2HD1 ILE 8 2HD1 ILE 8 5.445 -3.219 7.008 96 3HD1 ILE 8 3HD1 ILE 8 7.073 -3.413 6.362 97 H GLY 9 H GLY 9 1.989 -4.566 3.354 98 1HA GLY 9 2HA GLY 9 -0.376 -5.598 3.011 99 2HA GLY 9 1HA GLY 9 -0.433 -5.577 4.775 100 H ILE 10 H ILE 10 0.723 -3.190 2.369 101 HA ILE 10 HA ILE 10 -0.894 -1.125 3.809 102 HB ILE 10 HB ILE 10 1.492 -0.993 1.937 103 1HG1 ILE 10 2HG1 ILE 10 1.133 -0.561 4.917 104 2HG1 ILE 10 1HG1 ILE 10 2.107 -1.804 4.132 105 1HG2 ILE 10 1HG2 ILE 10 0.297 1.295 3.506 106 2HG2 ILE 10 2HG2 ILE 10 -0.189 0.954 1.846 107 3HG2 ILE 10 3HG2 ILE 10 1.487 1.368 2.208 108 1HD1 ILE 10 1HD1 ILE 10 2.776 0.982 4.712 109 2HD1 ILE 10 2HD1 ILE 10 3.068 0.556 3.026 110 3HD1 ILE 10 3HD1 ILE 10 3.841 -0.366 4.315 111 H GLY 11 H GLY 11 -0.276 -2.554 0.627 112 1HA GLY 11 2HA GLY 11 -1.827 -0.698 -0.908 113 2HA GLY 11 1HA GLY 11 -1.438 -2.346 -1.401 114 H LYS 12 H LYS 12 -2.687 -3.527 1.004 115 HA LYS 12 HA LYS 12 -5.311 -3.996 0.007 116 1HB LYS 12 2HB LYS 12 -5.626 -5.001 2.285 117 2HB LYS 12 1HB LYS 12 -4.118 -5.498 1.517 118 1HG LYS 12 2HG LYS 12 -3.084 -4.796 3.400 119 2HG LYS 12 1HG LYS 12 -3.425 -3.157 2.844 120 1HD LYS 12 2HD LYS 12 -4.722 -2.869 4.659 121 2HD LYS 12 1HD LYS 12 -5.820 -4.088 4.012 122 1HE LYS 12 2HE LYS 12 -3.404 -5.197 5.310 123 2HE LYS 12 1HE LYS 12 -4.519 -4.354 6.403 124 1HZ LYS 12 1HZ LYS 12 -5.342 -6.381 4.392 125 2HZ LYS 12 2HZ LYS 12 -6.344 -5.624 5.536 126 3HZ LYS 12 3HZ LYS 12 -5.135 -6.704 6.044 127 H PHE 13 H PHE 13 -4.063 -1.523 2.188 128 HA PHE 13 HA PHE 13 -6.492 -0.653 3.386 129 1HB PHE 13 2HB PHE 13 -3.753 0.260 2.959 130 2HB PHE 13 1HB PHE 13 -4.895 1.604 2.954 131 HD1 PHE 13 HD1 PHE 13 -6.993 0.541 4.788 132 HD2 PHE 13 HD2 PHE 13 -2.709 0.444 5.080 133 HE1 PHE 13 HE1 PHE 13 -7.164 0.403 7.258 134 HE2 PHE 13 HE2 PHE 13 -2.880 0.307 7.550 135 HZ PHE 13 HZ PHE 13 -5.108 0.287 8.639 136 H LEU 14 H LEU 14 -5.098 -0.020 0.201 137 HA LEU 14 HA LEU 14 -6.820 2.159 -0.545 138 1HB LEU 14 2HB LEU 14 -4.645 1.407 -1.596 139 2HB LEU 14 1HB LEU 14 -5.525 0.047 -2.296 140 HG LEU 14 HG LEU 14 -7.077 1.661 -3.394 141 1HD1 LEU 14 1HD1 LEU 14 -5.589 4.032 -3.349 142 2HD1 LEU 14 2HD1 LEU 14 -5.612 3.495 -1.670 143 3HD1 LEU 14 3HD1 LEU 14 -7.128 3.748 -2.535 144 1HD2 LEU 14 1HD2 LEU 14 -4.973 0.771 -4.497 145 2HD2 LEU 14 2HD2 LEU 14 -4.176 2.275 -4.031 146 3HD2 LEU 14 3HD2 LEU 14 -5.546 2.308 -5.142 147 H HIS 15 H HIS 15 -7.318 -1.274 -0.311 148 HA HIS 15 HA HIS 15 -9.574 -1.391 -2.157 149 1HB HIS 15 2HB HIS 15 -7.875 -3.209 -1.327 150 2HB HIS 15 1HB HIS 15 -8.993 -3.362 0.030 151 HD1 HIS 15 HD1 HIS 15 -11.588 -3.810 -0.699 152 HD2 HIS 15 HD2 HIS 15 -8.689 -4.591 -3.591 153 HE1 HIS 15 HE1 HIS 15 -12.698 -5.262 -2.452 154 H SER 16 H SER 16 -9.333 -1.875 1.332 155 HA SER 16 HA SER 16 -12.133 -1.684 1.870 156 1HB SER 16 2HB SER 16 -10.773 -2.706 3.501 157 2HB SER 16 1HB SER 16 -9.579 -1.413 3.441 158 HG SER 16 HG SER 16 -10.928 -1.316 5.308 159 H ALA 17 H ALA 17 -9.895 0.709 0.998 160 HA ALA 17 HA ALA 17 -11.282 2.920 2.392 161 1HB ALA 17 1HB ALA 17 -8.767 2.676 2.039 162 2HB ALA 17 2HB ALA 17 -9.446 4.227 1.547 163 3HB ALA 17 3HB ALA 17 -9.060 3.007 0.333 164 H LYS 18 H LYS 18 -10.790 1.706 -0.927 165 HA LYS 18 HA LYS 18 -12.421 3.816 -2.128 166 1HB LYS 18 2HB LYS 18 -10.938 1.357 -2.965 167 2HB LYS 18 1HB LYS 18 -12.170 1.984 -4.060 168 1HG LYS 18 2HG LYS 18 -9.989 3.719 -2.881 169 2HG LYS 18 1HG LYS 18 -9.825 2.894 -4.432 170 1HD LYS 18 2HD LYS 18 -12.005 4.011 -5.121 171 2HD LYS 18 1HD LYS 18 -11.852 5.005 -3.673 172 1HE LYS 18 2HE LYS 18 -9.400 4.863 -5.325 173 2HE LYS 18 1HE LYS 18 -10.770 5.701 -6.081 174 1HZ LYS 18 1HZ LYS 18 -9.497 7.208 -4.667 175 2HZ LYS 18 2HZ LYS 18 -9.750 6.190 -3.330 176 3HZ LYS 18 3HZ LYS 18 -11.065 6.985 -4.058 177 H LYS 19 H LYS 19 -13.105 0.983 -0.430 178 HA LYS 19 HA LYS 19 -15.858 0.863 -1.618 179 1HB LYS 19 2HB LYS 19 -14.215 -1.021 -2.176 180 2HB LYS 19 1HB LYS 19 -14.285 -1.456 -0.469 181 1HG LYS 19 2HG LYS 19 -16.938 -1.243 -1.026 182 2HG LYS 19 1HG LYS 19 -16.326 -1.794 -2.586 183 1HD LYS 19 2HD LYS 19 -16.648 -3.833 -1.534 184 2HD LYS 19 1HD LYS 19 -14.977 -3.506 -1.075 185 1HE LYS 19 2HE LYS 19 -15.814 -2.466 1.054 186 2HE LYS 19 1HE LYS 19 -17.451 -2.984 0.607 187 1HZ LYS 19 1HZ LYS 19 -15.091 -4.780 0.801 188 2HZ LYS 19 2HZ LYS 19 -16.683 -5.249 0.438 189 3HZ LYS 19 3HZ LYS 19 -16.302 -4.647 1.980 190 H PHE 20 H PHE 20 -14.090 1.663 1.065 191 HA PHE 20 HA PHE 20 -16.436 1.494 2.831 192 1HB PHE 20 2HB PHE 20 -14.666 -0.648 2.700 193 2HB PHE 20 1HB PHE 20 -14.099 0.262 4.101 194 HD1 PHE 20 HD1 PHE 20 -16.615 1.455 5.097 195 HD2 PHE 20 HD2 PHE 20 -15.811 -2.498 3.623 196 HE1 PHE 20 HE1 PHE 20 -18.498 0.570 6.445 197 HE2 PHE 20 HE2 PHE 20 -17.694 -3.383 4.971 198 HZ PHE 20 HZ PHE 20 -19.039 -1.850 6.383 199 1HN NH2 21 1HN NH2 21 -14.253 3.443 1.689 200 2HN NH2 21 2HN NH2 21 -13.717 4.282 3.063
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