NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
650201 | 6twg | 34476 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PHE 1 H PHE 1 1.807 0.001 0.856 2 HA PHE 1 HA PHE 1 2.039 -0.992 -1.663 3 HB2 PHE 1 2HB PHE 1 2.010 0.909 -3.179 4 HB3 PHE 1 3HB PHE 1 0.449 0.767 -2.378 5 HD1 PHE 1 HD1 PHE 1 3.609 2.667 -2.454 6 HD2 PHE 1 HD2 PHE 1 -0.394 2.502 -1.016 7 HE1 PHE 1 HE1 PHE 1 3.780 5.008 -1.717 8 HE2 PHE 1 HE2 PHE 1 -0.230 4.843 -0.279 9 HZ PHE 1 HZ PHE 1 1.859 6.100 -0.629 10 H LEU 2 H LEU 2 4.037 -0.139 -2.859 11 HA LEU 2 HA LEU 2 6.019 0.703 -0.850 12 HB2 LEU 2 2HB LEU 2 6.156 -1.192 -3.155 13 HB3 LEU 2 3HB LEU 2 7.620 -0.390 -2.591 14 HG LEU 2 HG LEU 2 7.418 -2.628 -1.653 15 HD11 LEU 2 1HD1 LEU 2 6.963 -0.497 0.430 16 HD12 LEU 2 2HD1 LEU 2 8.505 -0.853 -0.347 17 HD13 LEU 2 3HD1 LEU 2 7.736 -2.063 0.679 18 HD21 LEU 2 1HD2 LEU 2 4.971 -1.702 -0.177 19 HD22 LEU 2 2HD2 LEU 2 5.628 -3.334 -0.305 20 HD23 LEU 2 3HD2 LEU 2 4.874 -2.574 -1.707 21 HA PRO 3 HA PRO 3 7.065 4.262 -3.193 22 HB2 PRO 3 2HB PRO 3 9.755 4.394 -2.852 23 HB3 PRO 3 3HB PRO 3 8.604 4.758 -1.561 24 HG2 PRO 3 2HG PRO 3 10.147 2.244 -2.068 25 HG3 PRO 3 3HG PRO 3 9.846 3.082 -0.535 26 HD2 PRO 3 2HD PRO 3 8.442 0.898 -1.301 27 HD3 PRO 3 3HD PRO 3 7.730 2.195 -0.320 28 H LYS 4 H LYS 4 9.122 1.439 -3.815 29 HA LYS 4 HA LYS 4 10.173 2.322 -6.276 30 HB2 LYS 4 2HB LYS 4 10.772 0.273 -4.687 31 HB3 LYS 4 3HB LYS 4 9.728 -0.588 -5.811 32 HG2 LYS 4 2HG LYS 4 11.188 0.431 -7.651 33 HG3 LYS 4 3HG LYS 4 12.325 0.803 -6.353 34 HD2 LYS 4 2HD LYS 4 11.221 -1.964 -6.700 35 HD3 LYS 4 3HD LYS 4 12.606 -1.412 -7.643 36 HE2 LYS 4 2HE LYS 4 13.840 -0.942 -5.613 37 HE3 LYS 4 3HE LYS 4 12.440 -1.372 -4.631 38 HZ1 LYS 4 1HZ LYS 4 13.813 -3.247 -4.612 39 HZ2 LYS 4 2HZ LYS 4 14.142 -3.153 -6.268 40 HZ3 LYS 4 3HZ LYS 4 12.608 -3.628 -5.737 41 H ILE 5 H ILE 5 7.429 0.179 -5.543 42 HA ILE 5 HA ILE 5 6.669 -0.150 -8.266 43 HB ILE 5 HB ILE 5 4.566 -1.083 -7.359 44 HG12 ILE 5 2HG1 ILE 5 4.835 -1.393 -4.704 45 HG13 ILE 5 3HG1 ILE 5 5.623 0.171 -4.882 46 HG21 ILE 5 1HG2 ILE 5 7.063 -2.081 -5.996 47 HG22 ILE 5 2HG2 ILE 5 5.577 -2.999 -6.230 48 HG23 ILE 5 3HG2 ILE 5 6.533 -2.500 -7.625 49 HD11 ILE 5 1HD1 ILE 5 2.787 -0.573 -5.190 50 HD12 ILE 5 2HD1 ILE 5 3.518 0.904 -4.560 51 HD13 ILE 5 3HD1 ILE 5 3.414 0.644 -6.302 52 H LEU 6 H LEU 6 5.793 2.106 -5.728 53 HA LEU 6 HA LEU 6 3.537 3.223 -7.044 54 HB2 LEU 6 2HB LEU 6 3.945 3.406 -4.622 55 HB3 LEU 6 3HB LEU 6 5.326 4.450 -4.951 56 HG LEU 6 HG LEU 6 3.169 5.570 -4.203 57 HD11 LEU 6 1HD1 LEU 6 4.096 6.603 -6.854 58 HD12 LEU 6 2HD1 LEU 6 5.183 6.581 -5.466 59 HD13 LEU 6 3HD1 LEU 6 3.676 7.494 -5.391 60 HD21 LEU 6 1HD2 LEU 6 1.647 4.255 -5.599 61 HD22 LEU 6 2HD2 LEU 6 2.383 4.940 -7.047 62 HD23 LEU 6 3HD2 LEU 6 1.502 5.982 -5.928 63 H ARG 7 H ARG 7 6.883 4.386 -6.651 64 HA ARG 7 HA ARG 7 6.706 6.707 -8.138 65 HB2 ARG 7 2HB ARG 7 8.687 5.684 -6.784 66 HB3 ARG 7 3HB ARG 7 9.143 4.969 -8.325 67 HG2 ARG 7 2HG ARG 7 10.378 6.952 -8.167 68 HG3 ARG 7 3HG ARG 7 9.054 7.318 -9.275 69 HD2 ARG 7 2HD ARG 7 7.831 8.425 -7.513 70 HD3 ARG 7 3HD ARG 7 9.052 7.959 -6.330 71 HE ARG 7 HE ARG 7 10.166 9.479 -8.468 72 HH11 ARG 7 1HH1 ARG 7 8.366 9.727 -5.499 73 HH12 ARG 7 2HH1 ARG 7 8.889 11.344 -5.164 74 HH21 ARG 7 1HH2 ARG 7 10.863 11.608 -8.038 75 HH22 ARG 7 2HH2 ARG 7 10.309 12.414 -6.609 76 H LYS 8 H LYS 8 7.459 3.428 -9.274 77 HA LYS 8 HA LYS 8 7.986 3.942 -11.929 78 HB2 LYS 8 2HB LYS 8 6.792 1.617 -10.481 79 HB3 LYS 8 3HB LYS 8 6.776 1.613 -12.239 80 HG2 LYS 8 2HG LYS 8 9.274 2.062 -12.109 81 HG3 LYS 8 3HG LYS 8 9.144 1.649 -10.397 82 HD2 LYS 8 2HD LYS 8 8.076 -0.184 -12.518 83 HD3 LYS 8 3HD LYS 8 9.783 -0.207 -12.069 84 HE2 LYS 8 2HE LYS 8 7.550 -0.483 -10.070 85 HE3 LYS 8 3HE LYS 8 8.296 -1.864 -10.873 86 HZ1 LYS 8 1HZ LYS 8 9.659 0.106 -9.119 87 HZ2 LYS 8 2HZ LYS 8 10.446 -1.128 -9.966 88 HZ3 LYS 8 3HZ LYS 8 9.331 -1.513 -8.754 89 H ILE 9 H ILE 9 4.835 3.522 -10.365 90 HA ILE 9 HA ILE 9 3.271 3.654 -12.703 91 HB ILE 9 HB ILE 9 2.511 4.460 -9.893 92 HG12 ILE 9 2HG1 ILE 9 1.884 1.851 -11.262 93 HG13 ILE 9 3HG1 ILE 9 3.368 2.074 -10.342 94 HG21 ILE 9 1HG2 ILE 9 0.907 4.004 -12.385 95 HG22 ILE 9 2HG2 ILE 9 0.194 3.822 -10.783 96 HG23 ILE 9 3HG2 ILE 9 0.867 5.375 -11.277 97 HD11 ILE 9 1HD1 ILE 9 0.778 2.748 -9.052 98 HD12 ILE 9 2HD1 ILE 9 1.228 1.052 -9.239 99 HD13 ILE 9 3HD1 ILE 9 2.276 2.149 -8.340 100 H VAL 10 H VAL 10 4.387 6.156 -10.462 101 HA VAL 10 HA VAL 10 2.959 8.316 -11.518 102 HB VAL 10 HB VAL 10 5.721 8.416 -10.299 103 HG11 VAL 10 1HG1 VAL 10 5.241 10.690 -9.763 104 HG12 VAL 10 2HG1 VAL 10 4.902 10.467 -11.481 105 HG13 VAL 10 3HG1 VAL 10 3.575 10.530 -10.321 106 HG21 VAL 10 1HG2 VAL 10 4.394 8.952 -8.196 107 HG22 VAL 10 2HG2 VAL 10 2.990 8.304 -9.045 108 HG23 VAL 10 3HG2 VAL 10 4.385 7.272 -8.733 109 H ARG 11 H ARG 11 6.273 7.230 -12.252 110 HA ARG 11 HA ARG 11 6.927 9.130 -14.154 111 HB2 ARG 11 2HB ARG 11 8.302 7.150 -13.112 112 HB3 ARG 11 3HB ARG 11 7.769 6.285 -14.547 113 HG2 ARG 11 2HG ARG 11 9.847 7.141 -15.139 114 HG3 ARG 11 3HG ARG 11 8.701 8.271 -15.863 115 HD2 ARG 11 2HD ARG 11 8.973 9.676 -13.776 116 HD3 ARG 11 3HD ARG 11 10.327 8.627 -13.357 117 HE ARG 11 HE ARG 11 10.924 9.434 -15.868 118 HH11 ARG 11 1HH1 ARG 11 10.057 11.126 -12.952 119 HH12 ARG 11 2HH1 ARG 11 10.972 12.543 -13.346 120 HH21 ARG 11 1HH2 ARG 11 12.134 11.294 -16.399 121 HH22 ARG 11 2HH2 ARG 11 12.152 12.638 -15.308 122 H ALA 12 H ALA 12 5.486 5.919 -14.720 123 HA ALA 12 HA ALA 12 5.175 6.166 -17.487 124 HB1 ALA 12 1HB ALA 12 3.219 4.626 -15.829 125 HB2 ALA 12 2HB ALA 12 3.915 4.226 -17.400 126 HB3 ALA 12 3HB ALA 12 4.900 4.106 -15.942 127 H LEU 13 H LEU 13 2.887 6.883 -14.861 128 HA LEU 13 HA LEU 13 0.706 7.633 -16.415 129 HB2 LEU 13 2HB LEU 13 1.634 8.236 -13.661 130 HB3 LEU 13 3HB LEU 13 0.350 9.242 -14.329 131 HG LEU 13 HG LEU 13 0.173 6.239 -14.211 132 HD11 LEU 13 1HD1 LEU 13 -0.927 6.352 -12.151 133 HD12 LEU 13 2HD1 LEU 13 -1.096 8.105 -12.235 134 HD13 LEU 13 3HD1 LEU 13 0.489 7.386 -11.951 135 HD21 LEU 13 1HD2 LEU 13 -2.199 6.636 -14.480 136 HD22 LEU 13 2HD2 LEU 13 -1.308 7.408 -15.792 137 HD23 LEU 13 3HD2 LEU 13 -1.936 8.380 -14.460 Start of MODEL 2 1 H1 PHE 1 H PHE 1 1.749 -0.184 1.126 2 HA PHE 1 HA PHE 1 2.267 -1.257 -1.246 3 HB2 PHE 1 2HB PHE 1 2.032 0.421 -2.993 4 HB3 PHE 1 3HB PHE 1 0.468 0.114 -2.247 5 HD1 PHE 1 HD1 PHE 1 -0.727 1.831 -1.151 6 HD2 PHE 1 HD2 PHE 1 3.277 2.497 -2.434 7 HE1 PHE 1 HE1 PHE 1 -0.989 4.237 -0.710 8 HE2 PHE 1 HE2 PHE 1 3.021 4.904 -1.994 9 HZ PHE 1 HZ PHE 1 0.886 5.777 -1.130 10 H LEU 2 H LEU 2 4.181 -0.267 -2.454 11 HA LEU 2 HA LEU 2 5.871 1.170 -0.515 12 HB2 LEU 2 2HB LEU 2 6.456 -1.023 -2.458 13 HB3 LEU 2 3HB LEU 2 7.739 0.082 -1.969 14 HG LEU 2 HG LEU 2 7.808 -1.979 -0.676 15 HD11 LEU 2 1HD1 LEU 2 6.877 0.349 0.998 16 HD12 LEU 2 2HD1 LEU 2 8.508 0.138 0.362 17 HD13 LEU 2 3HD1 LEU 2 7.866 -1.008 1.538 18 HD21 LEU 2 1HD2 LEU 2 5.147 -1.240 0.506 19 HD22 LEU 2 2HD2 LEU 2 6.049 -2.746 0.677 20 HD23 LEU 2 3HD2 LEU 2 5.293 -2.341 -0.864 21 HA PRO 3 HA PRO 3 6.525 4.432 -3.376 22 HB2 PRO 3 2HB PRO 3 9.123 5.069 -2.911 23 HB3 PRO 3 3HB PRO 3 7.824 5.438 -1.770 24 HG2 PRO 3 2HG PRO 3 9.780 3.171 -1.746 25 HG3 PRO 3 3HG PRO 3 9.223 4.183 -0.400 26 HD2 PRO 3 2HD PRO 3 8.248 1.698 -0.856 27 HD3 PRO 3 3HD PRO 3 7.261 2.998 -0.156 28 H LYS 4 H LYS 4 8.934 1.846 -3.408 29 HA LYS 4 HA LYS 4 10.182 2.477 -5.835 30 HB2 LYS 4 2HB LYS 4 10.679 0.652 -3.966 31 HB3 LYS 4 3HB LYS 4 9.804 -0.384 -5.085 32 HG2 LYS 4 2HG LYS 4 11.418 0.493 -6.866 33 HG3 LYS 4 3HG LYS 4 12.386 1.075 -5.509 34 HD2 LYS 4 2HD LYS 4 12.213 -1.316 -4.606 35 HD3 LYS 4 3HD LYS 4 11.660 -1.752 -6.225 36 HE2 LYS 4 2HE LYS 4 13.768 -0.571 -7.063 37 HE3 LYS 4 3HE LYS 4 14.317 -0.625 -5.388 38 HZ1 LYS 4 1HZ LYS 4 14.257 -2.980 -5.406 39 HZ2 LYS 4 2HZ LYS 4 15.076 -2.509 -6.809 40 HZ3 LYS 4 3HZ LYS 4 13.469 -3.030 -6.903 41 H ILE 5 H ILE 5 7.425 0.339 -5.158 42 HA ILE 5 HA ILE 5 7.004 -0.228 -7.950 43 HB ILE 5 HB ILE 5 4.927 -1.362 -7.156 44 HG12 ILE 5 2HG1 ILE 5 5.945 -0.795 -4.373 45 HG13 ILE 5 3HG1 ILE 5 4.707 0.193 -5.141 46 HG21 ILE 5 1HG2 ILE 5 7.389 -2.178 -5.622 47 HG22 ILE 5 2HG2 ILE 5 6.062 -3.214 -6.146 48 HG23 ILE 5 3HG2 ILE 5 7.139 -2.491 -7.340 49 HD11 ILE 5 1HD1 ILE 5 4.559 -2.588 -4.122 50 HD12 ILE 5 2HD1 ILE 5 3.404 -1.263 -3.979 51 HD13 ILE 5 3HD1 ILE 5 3.552 -2.143 -5.499 52 H LEU 6 H LEU 6 5.765 2.015 -5.584 53 HA LEU 6 HA LEU 6 3.433 2.795 -6.999 54 HB2 LEU 6 2HB LEU 6 3.774 3.195 -4.596 55 HB3 LEU 6 3HB LEU 6 5.053 4.345 -4.982 56 HG LEU 6 HG LEU 6 2.768 5.282 -4.343 57 HD11 LEU 6 1HD1 LEU 6 3.683 6.249 -7.022 58 HD12 LEU 6 2HD1 LEU 6 4.714 6.417 -5.602 59 HD13 LEU 6 3HD1 LEU 6 3.122 7.176 -5.631 60 HD21 LEU 6 1HD2 LEU 6 1.124 5.426 -6.128 61 HD22 LEU 6 2HD2 LEU 6 1.432 3.742 -5.704 62 HD23 LEU 6 3HD2 LEU 6 2.141 4.427 -7.167 63 H ARG 7 H ARG 7 6.682 4.220 -6.752 64 HA ARG 7 HA ARG 7 6.336 6.469 -8.301 65 HB2 ARG 7 2HB ARG 7 8.427 5.608 -7.040 66 HB3 ARG 7 3HB ARG 7 8.816 4.792 -8.548 67 HG2 ARG 7 2HG ARG 7 10.000 6.806 -8.618 68 HG3 ARG 7 3HG ARG 7 8.598 7.068 -9.656 69 HD2 ARG 7 2HD ARG 7 7.527 8.409 -8.067 70 HD3 ARG 7 3HD ARG 7 8.557 7.832 -6.757 71 HE ARG 7 HE ARG 7 9.130 9.958 -8.610 72 HH11 ARG 7 1HH1 ARG 7 10.480 7.608 -6.425 73 HH12 ARG 7 2HH1 ARG 7 11.947 8.494 -6.172 74 HH21 ARG 7 1HH2 ARG 7 11.058 11.133 -8.285 75 HH22 ARG 7 2HH2 ARG 7 12.274 10.499 -7.230 76 H LYS 8 H LYS 8 6.829 3.142 -9.339 77 HA LYS 8 HA LYS 8 7.380 3.458 -12.013 78 HB2 LYS 8 2HB LYS 8 5.626 1.395 -10.673 79 HB3 LYS 8 3HB LYS 8 6.172 1.281 -12.341 80 HG2 LYS 8 2HG LYS 8 8.206 1.649 -10.204 81 HG3 LYS 8 3HG LYS 8 7.450 0.066 -10.398 82 HD2 LYS 8 2HD LYS 8 9.315 -0.084 -11.771 83 HD3 LYS 8 3HD LYS 8 8.035 0.360 -12.903 84 HE2 LYS 8 2HE LYS 8 8.794 2.552 -13.088 85 HE3 LYS 8 3HE LYS 8 9.704 2.466 -11.581 86 HZ1 LYS 8 1HZ LYS 8 10.435 0.805 -13.911 87 HZ2 LYS 8 2HZ LYS 8 11.388 1.238 -12.583 88 HZ3 LYS 8 3HZ LYS 8 10.999 2.393 -13.756 89 H ILE 9 H ILE 9 4.187 3.445 -10.459 90 HA ILE 9 HA ILE 9 2.714 3.806 -12.852 91 HB ILE 9 HB ILE 9 1.950 4.458 -10.004 92 HG12 ILE 9 2HG1 ILE 9 0.516 2.293 -10.558 93 HG13 ILE 9 3HG1 ILE 9 1.826 2.003 -11.698 94 HG21 ILE 9 1HG2 ILE 9 0.470 5.705 -11.309 95 HG22 ILE 9 2HG2 ILE 9 0.379 4.464 -12.557 96 HG23 ILE 9 3HG2 ILE 9 -0.401 4.204 -10.997 97 HD11 ILE 9 1HD1 ILE 9 1.880 1.078 -9.228 98 HD12 ILE 9 2HD1 ILE 9 3.344 1.605 -10.058 99 HD13 ILE 9 3HD1 ILE 9 2.550 2.677 -8.905 100 H VAL 10 H VAL 10 4.060 6.041 -10.477 101 HA VAL 10 HA VAL 10 2.836 8.391 -11.427 102 HB VAL 10 HB VAL 10 5.534 8.152 -10.089 103 HG11 VAL 10 1HG1 VAL 10 4.847 10.465 -9.250 104 HG12 VAL 10 2HG1 VAL 10 5.361 10.333 -10.933 105 HG13 VAL 10 3HG1 VAL 10 3.645 10.442 -10.540 106 HG21 VAL 10 1HG2 VAL 10 4.405 8.393 -7.991 107 HG22 VAL 10 2HG2 VAL 10 2.849 8.601 -8.794 108 HG23 VAL 10 3HG2 VAL 10 3.670 7.042 -8.855 109 H ARG 11 H ARG 11 6.068 7.044 -12.093 110 HA ARG 11 HA ARG 11 6.978 8.979 -13.848 111 HB2 ARG 11 2HB ARG 11 8.159 6.876 -12.876 112 HB3 ARG 11 3HB ARG 11 7.558 6.073 -14.321 113 HG2 ARG 11 2HG ARG 11 9.717 6.740 -14.882 114 HG3 ARG 11 3HG ARG 11 8.680 7.961 -15.623 115 HD2 ARG 11 2HD ARG 11 9.075 9.435 -13.690 116 HD3 ARG 11 3HD ARG 11 10.152 8.220 -13.002 117 HE ARG 11 HE ARG 11 10.878 9.057 -15.658 118 HH11 ARG 11 1HH1 ARG 11 11.192 9.709 -12.253 119 HH12 ARG 11 2HH1 ARG 11 12.686 10.569 -12.422 120 HH21 ARG 11 1HH2 ARG 11 12.845 10.188 -15.894 121 HH22 ARG 11 2HH2 ARG 11 13.625 10.842 -14.494 122 H ALA 12 H ALA 12 5.282 5.953 -14.666 123 HA ALA 12 HA ALA 12 5.119 6.388 -17.424 124 HB1 ALA 12 1HB ALA 12 2.960 4.938 -15.948 125 HB2 ALA 12 2HB ALA 12 3.696 4.565 -17.508 126 HB3 ALA 12 3HB ALA 12 4.593 4.275 -16.017 127 H LEU 13 H LEU 13 2.788 7.155 -14.850 128 HA LEU 13 HA LEU 13 0.754 8.188 -16.441 129 HB2 LEU 13 2HB LEU 13 1.606 8.544 -13.620 130 HB3 LEU 13 3HB LEU 13 0.446 9.698 -14.274 131 HG LEU 13 HG LEU 13 0.002 6.721 -14.350 132 HD11 LEU 13 1HD1 LEU 13 -1.182 8.580 -12.313 133 HD12 LEU 13 2HD1 LEU 13 0.314 7.696 -12.013 134 HD13 LEU 13 3HD1 LEU 13 -1.180 6.816 -12.333 135 HD21 LEU 13 1HD2 LEU 13 -1.307 8.074 -15.915 136 HD22 LEU 13 2HD2 LEU 13 -1.876 9.072 -14.577 137 HD23 LEU 13 3HD2 LEU 13 -2.324 7.367 -14.660 Start of MODEL 3 1 H1 PHE 1 H PHE 1 1.262 0.499 0.618 2 HA PHE 1 HA PHE 1 2.108 -1.309 -1.522 3 HB2 PHE 1 2HB PHE 1 2.056 0.464 -3.189 4 HB3 PHE 1 3HB PHE 1 0.450 0.243 -2.505 5 HD1 PHE 1 HD1 PHE 1 -0.646 1.991 -1.355 6 HD2 PHE 1 HD2 PHE 1 3.433 2.410 -2.495 7 HE1 PHE 1 HE1 PHE 1 -0.741 4.386 -0.802 8 HE2 PHE 1 HE2 PHE 1 3.345 4.806 -1.943 9 HZ PHE 1 HZ PHE 1 1.256 5.797 -1.095 10 H LEU 2 H LEU 2 4.140 -0.458 -2.602 11 HA LEU 2 HA LEU 2 5.877 0.718 -0.538 12 HB2 LEU 2 2HB LEU 2 6.340 -1.315 -2.678 13 HB3 LEU 2 3HB LEU 2 7.690 -0.358 -2.073 14 HG LEU 2 HG LEU 2 7.591 -2.532 -0.983 15 HD11 LEU 2 1HD1 LEU 2 7.682 -1.782 1.314 16 HD12 LEU 2 2HD1 LEU 2 6.798 -0.313 0.898 17 HD13 LEU 2 3HD1 LEU 2 8.421 -0.576 0.259 18 HD21 LEU 2 1HD2 LEU 2 5.760 -3.293 0.276 19 HD22 LEU 2 2HD2 LEU 2 5.062 -2.696 -1.230 20 HD23 LEU 2 3HD2 LEU 2 4.968 -1.718 0.235 21 HA PRO 3 HA PRO 3 6.800 4.189 -3.061 22 HB2 PRO 3 2HB PRO 3 9.418 4.610 -2.480 23 HB3 PRO 3 3HB PRO 3 8.113 4.953 -1.338 24 HG2 PRO 3 2HG PRO 3 9.923 2.573 -1.487 25 HG3 PRO 3 3HG PRO 3 9.392 3.488 -0.063 26 HD2 PRO 3 2HD PRO 3 8.278 1.125 -0.774 27 HD3 PRO 3 3HD PRO 3 7.355 2.415 0.024 28 H LYS 4 H LYS 4 9.085 1.493 -3.272 29 HA LYS 4 HA LYS 4 10.425 2.258 -5.601 30 HB2 LYS 4 2HB LYS 4 10.750 0.235 -3.906 31 HB3 LYS 4 3HB LYS 4 9.846 -0.630 -5.142 32 HG2 LYS 4 2HG LYS 4 11.566 0.305 -6.789 33 HG3 LYS 4 3HG LYS 4 12.526 0.692 -5.359 34 HD2 LYS 4 2HD LYS 4 11.415 -2.062 -5.780 35 HD3 LYS 4 3HD LYS 4 12.928 -1.564 -6.541 36 HE2 LYS 4 2HE LYS 4 12.420 -1.300 -3.587 37 HE3 LYS 4 3HE LYS 4 13.122 -2.747 -4.308 38 HZ1 LYS 4 1HZ LYS 4 14.873 -1.283 -5.254 39 HZ2 LYS 4 2HZ LYS 4 14.887 -1.366 -3.565 40 HZ3 LYS 4 3HZ LYS 4 14.249 -0.004 -4.339 41 H ILE 5 H ILE 5 7.522 0.246 -5.203 42 HA ILE 5 HA ILE 5 7.152 -0.031 -8.044 43 HB ILE 5 HB ILE 5 4.980 -1.084 -7.414 44 HG12 ILE 5 2HG1 ILE 5 5.939 -0.829 -4.564 45 HG13 ILE 5 3HG1 ILE 5 4.786 0.295 -5.276 46 HG21 ILE 5 1HG2 ILE 5 6.068 -3.018 -6.163 47 HG22 ILE 5 2HG2 ILE 5 6.780 -2.561 -7.709 48 HG23 ILE 5 3HG2 ILE 5 7.548 -2.061 -6.202 49 HD11 ILE 5 1HD1 ILE 5 4.442 -2.548 -4.507 50 HD12 ILE 5 2HD1 ILE 5 3.363 -1.171 -4.282 51 HD13 ILE 5 3HD1 ILE 5 3.509 -1.927 -5.868 52 H LEU 6 H LEU 6 5.985 2.069 -5.515 53 HA LEU 6 HA LEU 6 3.754 3.132 -6.896 54 HB2 LEU 6 2HB LEU 6 4.095 3.315 -4.462 55 HB3 LEU 6 3HB LEU 6 5.443 4.413 -4.752 56 HG LEU 6 HG LEU 6 3.219 5.440 -4.054 57 HD11 LEU 6 1HD1 LEU 6 3.687 7.394 -5.211 58 HD12 LEU 6 2HD1 LEU 6 4.197 6.533 -6.663 59 HD13 LEU 6 3HD1 LEU 6 5.231 6.543 -5.234 60 HD21 LEU 6 1HD2 LEU 6 2.549 4.819 -6.929 61 HD22 LEU 6 2HD2 LEU 6 1.592 5.807 -5.825 62 HD23 LEU 6 3HD2 LEU 6 1.795 4.082 -5.515 63 H ARG 7 H ARG 7 7.064 4.368 -6.445 64 HA ARG 7 HA ARG 7 6.871 6.716 -7.873 65 HB2 ARG 7 2HB ARG 7 8.873 5.598 -6.578 66 HB3 ARG 7 3HB ARG 7 9.324 5.032 -8.181 67 HG2 ARG 7 2HG ARG 7 10.522 7.019 -7.857 68 HG3 ARG 7 3HG ARG 7 9.181 7.453 -8.919 69 HD2 ARG 7 2HD ARG 7 7.948 8.364 -7.046 70 HD3 ARG 7 3HD ARG 7 9.208 7.841 -5.929 71 HE ARG 7 HE ARG 7 10.474 9.656 -6.546 72 HH11 ARG 7 1HH1 ARG 7 7.825 9.268 -8.772 73 HH12 ARG 7 2HH1 ARG 7 8.093 10.789 -9.558 74 HH21 ARG 7 1HH2 ARG 7 10.837 11.660 -7.574 75 HH22 ARG 7 2HH2 ARG 7 9.807 12.148 -8.877 76 H LYS 8 H LYS 8 7.592 3.468 -9.108 77 HA LYS 8 HA LYS 8 8.117 4.044 -11.749 78 HB2 LYS 8 2HB LYS 8 8.069 1.774 -10.478 79 HB3 LYS 8 3HB LYS 8 6.398 1.693 -11.020 80 HG2 LYS 8 2HG LYS 8 7.105 1.810 -13.330 81 HG3 LYS 8 3HG LYS 8 8.787 1.999 -12.828 82 HD2 LYS 8 2HD LYS 8 8.630 -0.266 -13.349 83 HD3 LYS 8 3HD LYS 8 8.442 -0.238 -11.594 84 HE2 LYS 8 2HE LYS 8 6.074 -0.486 -11.775 85 HE3 LYS 8 3HE LYS 8 6.126 -0.247 -13.521 86 HZ1 LYS 8 1HZ LYS 8 5.943 -2.623 -12.575 87 HZ2 LYS 8 2HZ LYS 8 7.605 -2.479 -12.299 88 HZ3 LYS 8 3HZ LYS 8 6.994 -2.336 -13.869 89 H ILE 9 H ILE 9 4.961 3.631 -10.192 90 HA ILE 9 HA ILE 9 3.395 3.859 -12.518 91 HB ILE 9 HB ILE 9 2.613 4.667 -9.716 92 HG12 ILE 9 2HG1 ILE 9 3.482 2.371 -9.775 93 HG13 ILE 9 3HG1 ILE 9 1.745 2.380 -9.492 94 HG21 ILE 9 1HG2 ILE 9 1.124 5.428 -11.561 95 HG22 ILE 9 2HG2 ILE 9 0.880 3.738 -11.999 96 HG23 ILE 9 3HG2 ILE 9 0.349 4.326 -10.424 97 HD11 ILE 9 1HD1 ILE 9 1.326 1.763 -11.777 98 HD12 ILE 9 2HD1 ILE 9 3.044 1.882 -12.158 99 HD13 ILE 9 3HD1 ILE 9 2.470 0.629 -11.059 100 H VAL 10 H VAL 10 4.562 6.280 -10.216 101 HA VAL 10 HA VAL 10 3.174 8.495 -11.203 102 HB VAL 10 HB VAL 10 5.951 8.507 -10.013 103 HG11 VAL 10 1HG1 VAL 10 5.518 10.776 -9.411 104 HG12 VAL 10 2HG1 VAL 10 5.167 10.605 -11.131 105 HG13 VAL 10 3HG1 VAL 10 3.848 10.664 -9.962 106 HG21 VAL 10 1HG2 VAL 10 4.615 7.352 -8.460 107 HG22 VAL 10 2HG2 VAL 10 4.653 9.018 -7.882 108 HG23 VAL 10 3HG2 VAL 10 3.233 8.412 -8.734 109 H ARG 11 H ARG 11 6.456 7.361 -12.004 110 HA ARG 11 HA ARG 11 7.129 9.297 -13.862 111 HB2 ARG 11 2HB ARG 11 8.613 7.474 -12.939 112 HB3 ARG 11 3HB ARG 11 7.866 6.379 -14.095 113 HG2 ARG 11 2HG ARG 11 9.838 7.043 -15.131 114 HG3 ARG 11 3HG ARG 11 8.603 8.057 -15.879 115 HD2 ARG 11 2HD ARG 11 9.203 9.776 -14.072 116 HD3 ARG 11 3HD ARG 11 10.647 8.799 -13.811 117 HE ARG 11 HE ARG 11 10.633 9.244 -16.493 118 HH11 ARG 11 1HH1 ARG 11 10.485 11.295 -13.684 119 HH12 ARG 11 2HH1 ARG 11 11.281 12.628 -14.454 120 HH21 ARG 11 1HH2 ARG 11 11.681 10.991 -17.518 121 HH22 ARG 11 2HH2 ARG 11 11.960 12.454 -16.636 122 H ALA 12 H ALA 12 5.613 6.133 -14.496 123 HA ALA 12 HA ALA 12 5.276 6.462 -17.252 124 HB1 ALA 12 1HB ALA 12 5.035 4.330 -15.944 125 HB2 ALA 12 2HB ALA 12 3.433 4.891 -15.464 126 HB3 ALA 12 3HB ALA 12 3.794 4.608 -17.167 127 H LEU 13 H LEU 13 3.034 7.154 -14.580 128 HA LEU 13 HA LEU 13 0.850 7.989 -16.086 129 HB2 LEU 13 2HB LEU 13 1.825 8.504 -13.330 130 HB3 LEU 13 3HB LEU 13 0.552 9.550 -13.956 131 HG LEU 13 HG LEU 13 0.319 6.549 -13.910 132 HD11 LEU 13 1HD1 LEU 13 0.685 7.621 -11.627 133 HD12 LEU 13 2HD1 LEU 13 -0.762 6.636 -11.835 134 HD13 LEU 13 3HD1 LEU 13 -0.881 8.395 -11.871 135 HD21 LEU 13 1HD2 LEU 13 -1.184 7.662 -15.439 136 HD22 LEU 13 2HD2 LEU 13 -1.686 8.786 -14.176 137 HD23 LEU 13 3HD2 LEU 13 -2.088 7.073 -14.044 Start of MODEL 4 1 H1 PHE 1 H PHE 1 1.056 -0.196 0.609 2 HA PHE 1 HA PHE 1 1.973 -1.596 -1.809 3 HB2 PHE 1 2HB PHE 1 1.796 0.453 -3.101 4 HB3 PHE 1 3HB PHE 1 0.229 0.065 -2.397 5 HD1 PHE 1 HD1 PHE 1 -0.831 1.531 -0.875 6 HD2 PHE 1 HD2 PHE 1 3.169 2.273 -2.128 7 HE1 PHE 1 HE1 PHE 1 -0.938 3.777 0.125 8 HE2 PHE 1 HE2 PHE 1 3.069 4.519 -1.128 9 HZ PHE 1 HZ PHE 1 1.014 5.273 0.001 10 H LEU 2 H LEU 2 3.919 -0.423 -2.787 11 HA LEU 2 HA LEU 2 5.666 0.543 -0.619 12 HB2 LEU 2 2HB LEU 2 6.170 -1.422 -2.812 13 HB3 LEU 2 3HB LEU 2 7.505 -0.474 -2.159 14 HG LEU 2 HG LEU 2 7.409 -2.679 -1.137 15 HD11 LEU 2 1HD1 LEU 2 8.205 -0.762 0.180 16 HD12 LEU 2 2HD1 LEU 2 7.453 -2.000 1.185 17 HD13 LEU 2 3HD1 LEU 2 6.569 -0.524 0.796 18 HD21 LEU 2 1HD2 LEU 2 5.571 -3.523 0.023 19 HD22 LEU 2 2HD2 LEU 2 4.862 -2.811 -1.427 20 HD23 LEU 2 3HD2 LEU 2 4.782 -1.948 0.110 21 HA PRO 3 HA PRO 3 6.619 4.084 -3.028 22 HB2 PRO 3 2HB PRO 3 9.248 4.462 -2.464 23 HB3 PRO 3 3HB PRO 3 7.959 4.776 -1.295 24 HG2 PRO 3 2HG PRO 3 9.745 2.387 -1.549 25 HG3 PRO 3 3HG PRO 3 9.240 3.256 -0.088 26 HD2 PRO 3 2HD PRO 3 8.096 0.929 -0.869 27 HD3 PRO 3 3HD PRO 3 7.193 2.197 -0.015 28 H LYS 4 H LYS 4 8.805 1.334 -3.386 29 HA LYS 4 HA LYS 4 10.135 2.191 -5.709 30 HB2 LYS 4 2HB LYS 4 9.571 -0.560 -4.607 31 HB3 LYS 4 3HB LYS 4 10.541 -0.297 -6.050 32 HG2 LYS 4 2HG LYS 4 11.198 1.018 -3.435 33 HG3 LYS 4 3HG LYS 4 11.774 -0.599 -3.849 34 HD2 LYS 4 2HD LYS 4 12.195 1.718 -5.707 35 HD3 LYS 4 3HD LYS 4 13.295 1.421 -4.358 36 HE2 LYS 4 2HE LYS 4 13.967 -0.652 -5.220 37 HE3 LYS 4 3HE LYS 4 12.590 -0.742 -6.317 38 HZ1 LYS 4 1HZ LYS 4 13.522 0.951 -7.674 39 HZ2 LYS 4 2HZ LYS 4 14.741 -0.188 -7.399 40 HZ3 LYS 4 3HZ LYS 4 14.749 1.279 -6.556 41 H ILE 5 H ILE 5 7.256 0.146 -5.299 42 HA ILE 5 HA ILE 5 6.826 -0.098 -8.126 43 HB ILE 5 HB ILE 5 4.647 -1.113 -7.469 44 HG12 ILE 5 2HG1 ILE 5 5.634 -0.855 -4.629 45 HG13 ILE 5 3HG1 ILE 5 4.492 0.281 -5.339 46 HG21 ILE 5 1HG2 ILE 5 5.617 -3.118 -6.466 47 HG22 ILE 5 2HG2 ILE 5 6.650 -2.478 -7.742 48 HG23 ILE 5 3HG2 ILE 5 7.071 -2.211 -6.050 49 HD11 ILE 5 1HD1 ILE 5 3.029 -1.140 -4.361 50 HD12 ILE 5 2HD1 ILE 5 3.208 -1.968 -5.908 51 HD13 ILE 5 3HD1 ILE 5 4.109 -2.528 -4.499 52 H LEU 6 H LEU 6 5.735 2.029 -5.586 53 HA LEU 6 HA LEU 6 3.527 3.141 -6.992 54 HB2 LEU 6 2HB LEU 6 3.450 3.424 -4.684 55 HB3 LEU 6 3HB LEU 6 5.129 3.953 -4.598 56 HG LEU 6 HG LEU 6 4.508 6.099 -5.591 57 HD11 LEU 6 1HD1 LEU 6 1.989 6.575 -5.659 58 HD12 LEU 6 2HD1 LEU 6 1.799 4.823 -5.724 59 HD13 LEU 6 3HD1 LEU 6 2.697 5.660 -6.990 60 HD21 LEU 6 1HD2 LEU 6 4.514 6.141 -3.252 61 HD22 LEU 6 2HD2 LEU 6 3.038 5.182 -3.140 62 HD23 LEU 6 3HD2 LEU 6 2.963 6.854 -3.698 63 H ARG 7 H ARG 7 6.823 4.343 -6.369 64 HA ARG 7 HA ARG 7 6.703 6.723 -7.752 65 HB2 ARG 7 2HB ARG 7 8.638 5.589 -6.387 66 HB3 ARG 7 3HB ARG 7 9.159 5.026 -7.970 67 HG2 ARG 7 2HG ARG 7 10.357 7.000 -7.589 68 HG3 ARG 7 3HG ARG 7 9.064 7.454 -8.701 69 HD2 ARG 7 2HD ARG 7 7.765 8.362 -6.871 70 HD3 ARG 7 3HD ARG 7 8.977 7.821 -5.709 71 HE ARG 7 HE ARG 7 10.034 9.579 -7.714 72 HH11 ARG 7 1HH1 ARG 7 8.383 9.415 -4.653 73 HH12 ARG 7 2HH1 ARG 7 8.910 10.984 -4.138 74 HH21 ARG 7 1HH2 ARG 7 10.734 11.645 -7.047 75 HH22 ARG 7 2HH2 ARG 7 10.246 12.251 -5.500 76 H LYS 8 H LYS 8 7.435 3.494 -9.022 77 HA LYS 8 HA LYS 8 8.107 4.111 -11.619 78 HB2 LYS 8 2HB LYS 8 8.046 1.825 -10.497 79 HB3 LYS 8 3HB LYS 8 6.332 1.783 -10.892 80 HG2 LYS 8 2HG LYS 8 6.874 1.982 -13.267 81 HG3 LYS 8 3HG LYS 8 8.594 2.018 -12.869 82 HD2 LYS 8 2HD LYS 8 6.845 -0.252 -11.983 83 HD3 LYS 8 3HD LYS 8 7.544 -0.220 -13.604 84 HE2 LYS 8 2HE LYS 8 9.188 0.101 -11.104 85 HE3 LYS 8 3HE LYS 8 8.859 -1.468 -11.837 86 HZ1 LYS 8 1HZ LYS 8 10.896 -0.823 -12.721 87 HZ2 LYS 8 2HZ LYS 8 10.419 0.784 -12.942 88 HZ3 LYS 8 3HZ LYS 8 9.799 -0.428 -13.946 89 H ILE 9 H ILE 9 4.865 3.733 -10.240 90 HA ILE 9 HA ILE 9 3.428 4.050 -12.637 91 HB ILE 9 HB ILE 9 2.519 4.817 -9.861 92 HG12 ILE 9 2HG1 ILE 9 3.339 2.504 -9.926 93 HG13 ILE 9 3HG1 ILE 9 1.590 2.548 -9.732 94 HG21 ILE 9 1HG2 ILE 9 0.884 3.973 -12.247 95 HG22 ILE 9 2HG2 ILE 9 0.289 4.547 -10.690 96 HG23 ILE 9 3HG2 ILE 9 1.146 5.649 -11.767 97 HD11 ILE 9 1HD1 ILE 9 2.984 2.107 -12.359 98 HD12 ILE 9 2HD1 ILE 9 2.400 0.817 -11.308 99 HD13 ILE 9 3HD1 ILE 9 1.260 1.956 -12.022 100 H VAL 10 H VAL 10 4.526 6.395 -10.223 101 HA VAL 10 HA VAL 10 3.242 8.661 -11.232 102 HB VAL 10 HB VAL 10 5.951 8.584 -9.898 103 HG11 VAL 10 1HG1 VAL 10 3.897 10.787 -9.909 104 HG12 VAL 10 2HG1 VAL 10 5.541 10.850 -9.271 105 HG13 VAL 10 3HG1 VAL 10 5.272 10.722 -11.010 106 HG21 VAL 10 1HG2 VAL 10 4.614 9.027 -7.815 107 HG22 VAL 10 2HG2 VAL 10 3.172 8.601 -8.736 108 HG23 VAL 10 3HG2 VAL 10 4.443 7.405 -8.486 109 H ARG 11 H ARG 11 6.535 7.468 -11.885 110 HA ARG 11 HA ARG 11 7.349 9.426 -13.662 111 HB2 ARG 11 2HB ARG 11 8.595 7.341 -12.666 112 HB3 ARG 11 3HB ARG 11 8.085 6.568 -14.161 113 HG2 ARG 11 2HG ARG 11 9.558 9.179 -14.161 114 HG3 ARG 11 3HG ARG 11 10.399 7.629 -14.103 115 HD2 ARG 11 2HD ARG 11 9.093 6.983 -16.164 116 HD3 ARG 11 3HD ARG 11 8.573 8.665 -16.259 117 HE ARG 11 HE ARG 11 11.302 8.781 -16.102 118 HH11 ARG 11 1HH1 ARG 11 9.001 7.247 -18.216 119 HH12 ARG 11 2HH1 ARG 11 10.034 7.319 -19.606 120 HH21 ARG 11 1HH2 ARG 11 12.671 8.881 -17.924 121 HH22 ARG 11 2HH2 ARG 11 12.121 8.247 -19.438 122 H ALA 12 H ALA 12 5.797 6.313 -14.444 123 HA ALA 12 HA ALA 12 5.614 6.708 -17.207 124 HB1 ALA 12 1HB ALA 12 4.154 4.984 -15.255 125 HB2 ALA 12 2HB ALA 12 3.599 5.078 -16.926 126 HB3 ALA 12 3HB ALA 12 5.235 4.526 -16.571 127 H LEU 13 H LEU 13 3.249 7.396 -14.641 128 HA LEU 13 HA LEU 13 1.168 8.314 -16.239 129 HB2 LEU 13 2HB LEU 13 2.008 8.750 -13.426 130 HB3 LEU 13 3HB LEU 13 0.791 9.835 -14.094 131 HG LEU 13 HG LEU 13 0.495 6.840 -14.125 132 HD11 LEU 13 1HD1 LEU 13 -0.729 6.929 -12.115 133 HD12 LEU 13 2HD1 LEU 13 -0.735 8.693 -12.104 134 HD13 LEU 13 3HD1 LEU 13 0.764 7.815 -11.803 135 HD21 LEU 13 1HD2 LEU 13 -1.838 7.331 -14.486 136 HD22 LEU 13 2HD2 LEU 13 -0.871 8.164 -15.703 137 HD23 LEU 13 3HD2 LEU 13 -1.533 9.061 -14.336 Start of MODEL 5 1 H1 PHE 1 H PHE 1 1.082 0.571 0.712 2 HA PHE 1 HA PHE 1 1.877 -1.126 -1.562 3 HB2 PHE 1 2HB PHE 1 1.797 0.825 -3.005 4 HB3 PHE 1 3HB PHE 1 0.240 0.621 -2.209 5 HD1 PHE 1 HD1 PHE 1 -0.629 2.278 -0.762 6 HD2 PHE 1 HD2 PHE 1 3.348 2.600 -2.244 7 HE1 PHE 1 HE1 PHE 1 -0.514 4.595 0.059 8 HE2 PHE 1 HE2 PHE 1 3.470 4.917 -1.426 9 HZ PHE 1 HZ PHE 1 1.538 5.917 -0.272 10 H LEU 2 H LEU 2 3.860 -0.189 -2.707 11 HA LEU 2 HA LEU 2 5.777 0.780 -0.689 12 HB2 LEU 2 2HB LEU 2 6.023 -1.347 -2.773 13 HB3 LEU 2 3HB LEU 2 7.455 -0.467 -2.244 14 HG LEU 2 HG LEU 2 7.247 -2.593 -1.080 15 HD11 LEU 2 1HD1 LEU 2 8.250 -0.669 0.074 16 HD12 LEU 2 2HD1 LEU 2 7.459 -1.780 1.190 17 HD13 LEU 2 3HD1 LEU 2 6.671 -0.265 0.748 18 HD21 LEU 2 1HD2 LEU 2 4.742 -1.577 0.223 19 HD22 LEU 2 2HD2 LEU 2 5.412 -3.209 0.231 20 HD23 LEU 2 3HD2 LEU 2 4.692 -2.559 -1.242 21 HA PRO 3 HA PRO 3 6.871 4.085 -3.360 22 HB2 PRO 3 2HB PRO 3 9.545 4.291 -2.940 23 HB3 PRO 3 3HB PRO 3 8.344 4.774 -1.736 24 HG2 PRO 3 2HG PRO 3 9.931 2.242 -1.918 25 HG3 PRO 3 3HG PRO 3 9.566 3.233 -0.494 26 HD2 PRO 3 2HD PRO 3 8.213 0.960 -1.073 27 HD3 PRO 3 3HD PRO 3 7.452 2.344 -0.262 28 H LYS 4 H LYS 4 8.867 1.179 -3.630 29 HA LYS 4 HA LYS 4 10.128 1.781 -6.060 30 HB2 LYS 4 2HB LYS 4 9.415 -0.837 -4.746 31 HB3 LYS 4 3HB LYS 4 10.298 -0.759 -6.265 32 HG2 LYS 4 2HG LYS 4 11.249 0.684 -3.815 33 HG3 LYS 4 3HG LYS 4 11.647 -1.009 -4.118 34 HD2 LYS 4 2HD LYS 4 12.645 -0.374 -6.272 35 HD3 LYS 4 3HD LYS 4 12.267 1.318 -5.940 36 HE2 LYS 4 2HE LYS 4 13.713 1.270 -3.982 37 HE3 LYS 4 3HE LYS 4 14.055 -0.437 -4.257 38 HZ1 LYS 4 1HZ LYS 4 15.333 0.028 -6.101 39 HZ2 LYS 4 2HZ LYS 4 15.718 1.324 -5.085 40 HZ3 LYS 4 3HZ LYS 4 14.628 1.543 -6.361 41 H ILE 5 H ILE 5 7.122 0.001 -5.406 42 HA ILE 5 HA ILE 5 6.544 -0.334 -8.205 43 HB ILE 5 HB ILE 5 4.349 -1.203 -7.402 44 HG12 ILE 5 2HG1 ILE 5 5.508 -0.917 -4.630 45 HG13 ILE 5 3HG1 ILE 5 4.385 0.254 -5.312 46 HG21 ILE 5 1HG2 ILE 5 6.880 -2.344 -6.241 47 HG22 ILE 5 2HG2 ILE 5 5.334 -3.191 -6.216 48 HG23 ILE 5 3HG2 ILE 5 6.088 -2.779 -7.756 49 HD11 ILE 5 1HD1 ILE 5 2.936 -1.906 -5.731 50 HD12 ILE 5 2HD1 ILE 5 3.910 -2.523 -4.397 51 HD13 ILE 5 3HD1 ILE 5 2.933 -1.072 -4.177 52 H LEU 6 H LEU 6 5.690 1.919 -5.680 53 HA LEU 6 HA LEU 6 3.469 3.107 -6.984 54 HB2 LEU 6 2HB LEU 6 3.583 3.498 -4.694 55 HB3 LEU 6 3HB LEU 6 5.290 3.930 -4.756 56 HG LEU 6 HG LEU 6 4.719 6.063 -5.800 57 HD11 LEU 6 1HD1 LEU 6 2.233 6.685 -5.723 58 HD12 LEU 6 2HD1 LEU 6 1.940 4.946 -5.687 59 HD13 LEU 6 3HD1 LEU 6 2.793 5.668 -7.051 60 HD21 LEU 6 1HD2 LEU 6 2.946 5.773 -3.401 61 HD22 LEU 6 2HD2 LEU 6 3.975 7.128 -3.867 62 HD23 LEU 6 3HD2 LEU 6 4.699 5.636 -3.262 63 H ARG 7 H ARG 7 6.867 4.136 -6.671 64 HA ARG 7 HA ARG 7 6.778 6.459 -8.145 65 HB2 ARG 7 2HB ARG 7 8.748 5.236 -6.898 66 HB3 ARG 7 3HB ARG 7 9.101 4.610 -8.502 67 HG2 ARG 7 2HG ARG 7 10.439 6.516 -8.275 68 HG3 ARG 7 3HG ARG 7 9.084 7.024 -9.285 69 HD2 ARG 7 2HD ARG 7 8.000 8.042 -7.372 70 HD3 ARG 7 3HD ARG 7 9.279 7.458 -6.308 71 HE ARG 7 HE ARG 7 10.574 8.957 -8.190 72 HH11 ARG 7 1HH1 ARG 7 7.984 9.520 -5.933 73 HH12 ARG 7 2HH1 ARG 7 8.352 11.201 -5.730 74 HH21 ARG 7 1HH2 ARG 7 11.068 11.169 -7.932 75 HH22 ARG 7 2HH2 ARG 7 10.105 12.138 -6.869 76 H LYS 8 H LYS 8 7.231 3.147 -9.334 77 HA LYS 8 HA LYS 8 7.701 3.632 -12.002 78 HB2 LYS 8 2HB LYS 8 6.127 1.419 -10.686 79 HB3 LYS 8 3HB LYS 8 6.522 1.423 -12.400 80 HG2 LYS 8 2HG LYS 8 8.640 1.657 -10.290 81 HG3 LYS 8 3HG LYS 8 8.033 0.094 -10.842 82 HD2 LYS 8 2HD LYS 8 9.010 2.151 -12.793 83 HD3 LYS 8 3HD LYS 8 10.136 1.069 -11.972 84 HE2 LYS 8 2HE LYS 8 8.913 -0.862 -12.843 85 HE3 LYS 8 3HE LYS 8 7.780 0.218 -13.654 86 HZ1 LYS 8 1HZ LYS 8 9.473 -0.609 -15.170 87 HZ2 LYS 8 2HZ LYS 8 10.694 0.053 -14.204 88 HZ3 LYS 8 3HZ LYS 8 9.596 1.069 -14.993 89 H ILE 9 H ILE 9 4.580 3.479 -10.332 90 HA ILE 9 HA ILE 9 2.955 3.776 -12.610 91 HB ILE 9 HB ILE 9 2.332 4.686 -9.799 92 HG12 ILE 9 2HG1 ILE 9 3.025 2.331 -9.847 93 HG13 ILE 9 3HG1 ILE 9 1.305 2.476 -9.505 94 HG21 ILE 9 1HG2 ILE 9 0.653 4.180 -12.232 95 HG22 ILE 9 2HG2 ILE 9 -0.029 4.105 -10.609 96 HG23 ILE 9 3HG2 ILE 9 0.696 5.603 -11.192 97 HD11 ILE 9 1HD1 ILE 9 2.543 1.746 -12.147 98 HD12 ILE 9 2HD1 ILE 9 1.707 0.660 -11.037 99 HD13 ILE 9 3HD1 ILE 9 0.816 1.947 -11.850 100 H VAL 10 H VAL 10 4.371 6.149 -10.399 101 HA VAL 10 HA VAL 10 3.111 8.439 -11.392 102 HB VAL 10 HB VAL 10 5.913 8.275 -10.276 103 HG11 VAL 10 1HG1 VAL 10 5.260 10.401 -11.414 104 HG12 VAL 10 2HG1 VAL 10 3.969 10.577 -10.225 105 HG13 VAL 10 3HG1 VAL 10 5.655 10.582 -9.705 106 HG21 VAL 10 1HG2 VAL 10 4.715 8.917 -8.124 107 HG22 VAL 10 2HG2 VAL 10 3.231 8.402 -8.924 108 HG23 VAL 10 3HG2 VAL 10 4.539 7.248 -8.665 109 H ARG 11 H ARG 11 6.282 7.060 -12.253 110 HA ARG 11 HA ARG 11 7.038 8.906 -14.170 111 HB2 ARG 11 2HB ARG 11 8.346 6.910 -13.211 112 HB3 ARG 11 3HB ARG 11 7.576 5.962 -14.476 113 HG2 ARG 11 2HG ARG 11 9.630 6.550 -15.385 114 HG3 ARG 11 3HG ARG 11 8.508 7.713 -16.094 115 HD2 ARG 11 2HD ARG 11 9.220 9.431 -14.630 116 HD3 ARG 11 3HD ARG 11 10.091 8.292 -13.604 117 HE ARG 11 HE ARG 11 11.104 8.297 -16.264 118 HH11 ARG 11 1HH1 ARG 11 11.143 10.058 -13.261 119 HH12 ARG 11 2HH1 ARG 11 12.700 10.764 -13.544 120 HH21 ARG 11 1HH2 ARG 11 13.155 9.220 -16.648 121 HH22 ARG 11 2HH2 ARG 11 13.843 10.287 -15.471 122 H ALA 12 H ALA 12 5.289 5.845 -14.696 123 HA ALA 12 HA ALA 12 4.901 6.141 -17.449 124 HB1 ALA 12 1HB ALA 12 3.655 4.517 -15.306 125 HB2 ALA 12 2HB ALA 12 2.775 4.666 -16.828 126 HB3 ALA 12 3HB ALA 12 4.413 4.014 -16.817 127 H LEU 13 H LEU 13 2.787 7.045 -14.736 128 HA LEU 13 HA LEU 13 0.628 8.002 -16.205 129 HB2 LEU 13 2HB LEU 13 1.710 8.501 -13.487 130 HB3 LEU 13 3HB LEU 13 0.497 9.622 -14.102 131 HG LEU 13 HG LEU 13 0.055 6.647 -13.986 132 HD11 LEU 13 1HD1 LEU 13 -0.967 8.607 -11.958 133 HD12 LEU 13 2HD1 LEU 13 0.557 7.748 -11.737 134 HD13 LEU 13 3HD1 LEU 13 -0.950 6.844 -11.884 135 HD21 LEU 13 1HD2 LEU 13 -1.721 9.046 -14.369 136 HD22 LEU 13 2HD2 LEU 13 -2.340 7.442 -13.971 137 HD23 LEU 13 3HD2 LEU 13 -1.455 7.699 -15.476 Start of MODEL 6 1 H1 PHE 1 H PHE 1 1.243 -1.153 0.517 2 HA PHE 1 HA PHE 1 1.922 -1.254 -1.782 3 HB2 PHE 1 2HB PHE 1 1.836 0.723 -3.189 4 HB3 PHE 1 3HB PHE 1 0.255 0.452 -2.461 5 HD1 PHE 1 HD1 PHE 1 -0.723 2.049 -1.015 6 HD2 PHE 1 HD2 PHE 1 3.295 2.532 -2.334 7 HE1 PHE 1 HE1 PHE 1 -0.718 4.350 -0.145 8 HE2 PHE 1 HE2 PHE 1 3.307 4.834 -1.466 9 HZ PHE 1 HZ PHE 1 1.299 5.746 -0.369 10 H LEU 2 H LEU 2 3.915 -0.220 -2.830 11 HA LEU 2 HA LEU 2 5.717 0.767 -0.717 12 HB2 LEU 2 2HB LEU 2 6.117 -1.313 -2.826 13 HB3 LEU 2 3HB LEU 2 7.497 -0.397 -2.223 14 HG LEU 2 HG LEU 2 7.312 -2.550 -1.105 15 HD11 LEU 2 1HD1 LEU 2 8.204 -0.616 0.122 16 HD12 LEU 2 2HD1 LEU 2 7.405 -1.772 1.186 17 HD13 LEU 2 3HD1 LEU 2 6.587 -0.276 0.737 18 HD21 LEU 2 1HD2 LEU 2 4.727 -1.643 0.118 19 HD22 LEU 2 2HD2 LEU 2 5.447 -3.253 0.113 20 HD23 LEU 2 3HD2 LEU 2 4.763 -2.587 -1.371 21 HA PRO 3 HA PRO 3 6.809 4.154 -3.283 22 HB2 PRO 3 2HB PRO 3 9.456 4.438 -2.750 23 HB3 PRO 3 3HB PRO 3 8.191 4.859 -1.589 24 HG2 PRO 3 2HG PRO 3 9.867 2.384 -1.749 25 HG3 PRO 3 3HG PRO 3 9.412 3.336 -0.325 26 HD2 PRO 3 2HD PRO 3 8.160 1.032 -0.998 27 HD3 PRO 3 3HD PRO 3 7.321 2.375 -0.194 28 H LYS 4 H LYS 4 8.909 1.319 -3.521 29 HA LYS 4 HA LYS 4 10.248 2.005 -5.885 30 HB2 LYS 4 2HB LYS 4 9.542 -0.686 -4.713 31 HB3 LYS 4 3HB LYS 4 10.571 -0.488 -6.127 32 HG2 LYS 4 2HG LYS 4 11.190 0.850 -3.514 33 HG3 LYS 4 3HG LYS 4 11.714 -0.796 -3.878 34 HD2 LYS 4 2HD LYS 4 12.292 1.465 -5.762 35 HD3 LYS 4 3HD LYS 4 13.332 1.151 -4.370 36 HE2 LYS 4 2HE LYS 4 12.610 -0.991 -6.351 37 HE3 LYS 4 3HE LYS 4 13.990 0.079 -6.589 38 HZ1 LYS 4 1HZ LYS 4 14.809 -1.844 -5.540 39 HZ2 LYS 4 2HZ LYS 4 13.561 -1.868 -4.399 40 HZ3 LYS 4 3HZ LYS 4 14.749 -0.665 -4.328 41 H ILE 5 H ILE 5 7.275 0.121 -5.390 42 HA ILE 5 HA ILE 5 6.824 -0.172 -8.218 43 HB ILE 5 HB ILE 5 4.629 -1.132 -7.522 44 HG12 ILE 5 2HG1 ILE 5 5.668 -0.882 -4.701 45 HG13 ILE 5 3HG1 ILE 5 4.541 0.277 -5.398 46 HG21 ILE 5 1HG2 ILE 5 5.557 -3.160 -6.574 47 HG22 ILE 5 2HG2 ILE 5 6.640 -2.517 -7.808 48 HG23 ILE 5 3HG2 ILE 5 7.019 -2.295 -6.100 49 HD11 ILE 5 1HD1 ILE 5 2.801 -1.182 -5.351 50 HD12 ILE 5 2HD1 ILE 5 3.836 -2.599 -5.534 51 HD13 ILE 5 3HD1 ILE 5 3.725 -1.782 -3.975 52 H LEU 6 H LEU 6 5.797 1.995 -5.683 53 HA LEU 6 HA LEU 6 3.587 3.135 -7.047 54 HB2 LEU 6 2HB LEU 6 3.600 3.483 -4.748 55 HB3 LEU 6 3HB LEU 6 5.294 3.970 -4.736 56 HG LEU 6 HG LEU 6 4.693 6.106 -5.759 57 HD11 LEU 6 1HD1 LEU 6 2.188 6.646 -5.765 58 HD12 LEU 6 2HD1 LEU 6 1.949 4.899 -5.774 59 HD13 LEU 6 3HD1 LEU 6 2.829 5.675 -7.090 60 HD21 LEU 6 1HD2 LEU 6 2.838 5.715 -3.438 61 HD22 LEU 6 2HD2 LEU 6 3.850 7.105 -3.834 62 HD23 LEU 6 3HD2 LEU 6 4.587 5.619 -3.231 63 H ARG 7 H ARG 7 6.934 4.267 -6.587 64 HA ARG 7 HA ARG 7 6.823 6.618 -8.015 65 HB2 ARG 7 2HB ARG 7 8.786 5.430 -6.723 66 HB3 ARG 7 3HB ARG 7 9.217 4.854 -8.327 67 HG2 ARG 7 2HG ARG 7 10.481 6.796 -8.008 68 HG3 ARG 7 3HG ARG 7 9.148 7.284 -9.056 69 HD2 ARG 7 2HD ARG 7 7.963 8.221 -7.163 70 HD3 ARG 7 3HD ARG 7 9.220 7.654 -6.065 71 HE ARG 7 HE ARG 7 10.195 9.394 -8.132 72 HH11 ARG 7 1HH1 ARG 7 8.765 9.238 -4.962 73 HH12 ARG 7 2HH1 ARG 7 9.368 10.786 -4.471 74 HH21 ARG 7 1HH2 ARG 7 10.995 11.434 -7.497 75 HH22 ARG 7 2HH2 ARG 7 10.635 12.035 -5.914 76 H LYS 8 H LYS 8 7.428 3.349 -9.256 77 HA LYS 8 HA LYS 8 7.977 3.908 -11.895 78 HB2 LYS 8 2HB LYS 8 7.762 1.636 -10.567 79 HB3 LYS 8 3HB LYS 8 6.148 1.627 -11.268 80 HG2 LYS 8 2HG LYS 8 7.032 1.642 -13.484 81 HG3 LYS 8 3HG LYS 8 8.671 1.907 -12.884 82 HD2 LYS 8 2HD LYS 8 7.094 -0.509 -12.066 83 HD3 LYS 8 3HD LYS 8 7.986 -0.477 -13.589 84 HE2 LYS 8 2HE LYS 8 9.996 0.246 -12.184 85 HE3 LYS 8 3HE LYS 8 9.047 -0.259 -10.786 86 HZ1 LYS 8 1HZ LYS 8 9.608 -2.039 -13.089 87 HZ2 LYS 8 2HZ LYS 8 8.978 -2.470 -11.580 88 HZ3 LYS 8 3HZ LYS 8 10.590 -1.974 -11.713 89 H ILE 9 H ILE 9 4.805 3.618 -10.343 90 HA ILE 9 HA ILE 9 3.252 3.910 -12.672 91 HB ILE 9 HB ILE 9 2.498 4.743 -9.869 92 HG12 ILE 9 2HG1 ILE 9 3.276 2.415 -9.932 93 HG13 ILE 9 3HG1 ILE 9 1.540 2.493 -9.651 94 HG21 ILE 9 1HG2 ILE 9 0.224 4.496 -10.579 95 HG22 ILE 9 2HG2 ILE 9 1.044 5.567 -11.714 96 HG23 ILE 9 3HG2 ILE 9 0.732 3.888 -12.155 97 HD11 ILE 9 1HD1 ILE 9 1.082 1.858 -11.903 98 HD12 ILE 9 2HD1 ILE 9 2.786 1.986 -12.339 99 HD13 ILE 9 3HD1 ILE 9 2.251 0.720 -11.234 100 H VAL 10 H VAL 10 4.511 6.280 -10.363 101 HA VAL 10 HA VAL 10 3.212 8.550 -11.348 102 HB VAL 10 HB VAL 10 5.986 8.450 -10.155 103 HG11 VAL 10 1HG1 VAL 10 5.294 10.579 -11.268 104 HG12 VAL 10 2HG1 VAL 10 3.968 10.688 -10.108 105 HG13 VAL 10 3HG1 VAL 10 5.640 10.734 -9.546 106 HG21 VAL 10 1HG2 VAL 10 4.797 8.924 -8.010 107 HG22 VAL 10 2HG2 VAL 10 3.278 8.576 -8.836 108 HG23 VAL 10 3HG2 VAL 10 4.497 7.314 -8.664 109 H ARG 11 H ARG 11 6.448 7.289 -12.147 110 HA ARG 11 HA ARG 11 7.200 9.199 -14.001 111 HB2 ARG 11 2HB ARG 11 8.577 7.272 -13.064 112 HB3 ARG 11 3HB ARG 11 7.826 6.265 -14.295 113 HG2 ARG 11 2HG ARG 11 9.856 6.894 -15.235 114 HG3 ARG 11 3HG ARG 11 8.689 7.994 -15.971 115 HD2 ARG 11 2HD ARG 11 9.289 9.689 -14.262 116 HD3 ARG 11 3HD ARG 11 10.533 8.593 -13.661 117 HE ARG 11 HE ARG 11 11.852 9.161 -15.447 118 HH11 ARG 11 1HH1 ARG 11 8.592 10.231 -16.037 119 HH12 ARG 11 2HH1 ARG 11 9.007 11.137 -17.455 120 HH21 ARG 11 1HH2 ARG 11 12.411 10.349 -17.312 121 HH22 ARG 11 2HH2 ARG 11 11.179 11.202 -18.180 122 H ALA 12 H ALA 12 5.559 6.100 -14.642 123 HA ALA 12 HA ALA 12 5.238 6.448 -17.399 124 HB1 ALA 12 1HB ALA 12 3.158 4.991 -15.843 125 HB2 ALA 12 2HB ALA 12 3.951 4.552 -17.357 126 HB3 ALA 12 3HB ALA 12 4.815 4.385 -15.828 127 H LEU 13 H LEU 13 3.022 7.222 -14.728 128 HA LEU 13 HA LEU 13 0.876 8.148 -16.234 129 HB2 LEU 13 2HB LEU 13 1.867 8.619 -13.476 130 HB3 LEU 13 3HB LEU 13 0.635 9.713 -14.101 131 HG LEU 13 HG LEU 13 0.289 6.723 -14.060 132 HD11 LEU 13 1HD1 LEU 13 -0.780 6.843 -11.985 133 HD12 LEU 13 2HD1 LEU 13 -0.852 8.605 -12.021 134 HD13 LEU 13 3HD1 LEU 13 0.693 7.790 -11.775 135 HD21 LEU 13 1HD2 LEU 13 -1.622 9.040 -14.337 136 HD22 LEU 13 2HD2 LEU 13 -2.102 7.350 -14.183 137 HD23 LEU 13 3HD2 LEU 13 -1.175 7.880 -15.588 Start of MODEL 7 1 H1 PHE 1 H PHE 1 1.285 -0.087 0.489 2 HA PHE 1 HA PHE 1 2.233 -1.624 -1.829 3 HB2 PHE 1 2HB PHE 1 2.034 0.323 -3.269 4 HB3 PHE 1 3HB PHE 1 0.465 -0.047 -2.561 5 HD1 PHE 1 HD1 PHE 1 3.349 2.241 -2.422 6 HD2 PHE 1 HD2 PHE 1 -0.645 1.498 -1.153 7 HE1 PHE 1 HE1 PHE 1 3.188 4.551 -1.590 8 HE2 PHE 1 HE2 PHE 1 -0.813 3.807 -0.319 9 HZ PHE 1 HZ PHE 1 1.105 5.337 -0.538 10 H LEU 2 H LEU 2 4.139 -0.382 -2.891 11 HA LEU 2 HA LEU 2 5.872 0.647 -0.741 12 HB2 LEU 2 2HB LEU 2 6.415 -1.248 -2.986 13 HB3 LEU 2 3HB LEU 2 7.721 -0.259 -2.339 14 HG LEU 2 HG LEU 2 7.734 -2.491 -1.365 15 HD11 LEU 2 1HD1 LEU 2 6.864 -0.404 0.629 16 HD12 LEU 2 2HD1 LEU 2 8.492 -0.576 -0.026 17 HD13 LEU 2 3HD1 LEU 2 7.803 -1.857 0.971 18 HD21 LEU 2 1HD2 LEU 2 5.953 -3.400 -0.135 19 HD22 LEU 2 2HD2 LEU 2 5.213 -2.759 -1.602 20 HD23 LEU 2 3HD2 LEU 2 5.088 -1.864 -0.087 21 HA PRO 3 HA PRO 3 6.639 4.275 -3.085 22 HB2 PRO 3 2HB PRO 3 9.263 4.742 -2.569 23 HB3 PRO 3 3HB PRO 3 7.990 4.979 -1.365 24 HG2 PRO 3 2HG PRO 3 9.860 2.667 -1.715 25 HG3 PRO 3 3HG PRO 3 9.355 3.482 -0.223 26 HD2 PRO 3 2HD PRO 3 8.284 1.131 -1.034 27 HD3 PRO 3 3HD PRO 3 7.353 2.343 -0.131 28 H LYS 4 H LYS 4 9.057 1.715 -3.511 29 HA LYS 4 HA LYS 4 10.164 2.689 -5.912 30 HB2 LYS 4 2HB LYS 4 10.026 -0.095 -4.752 31 HB3 LYS 4 3HB LYS 4 10.920 0.295 -6.216 32 HG2 LYS 4 2HG LYS 4 11.435 1.729 -3.635 33 HG3 LYS 4 3HG LYS 4 12.211 0.190 -4.018 34 HD2 LYS 4 2HD LYS 4 12.304 2.492 -5.939 35 HD3 LYS 4 3HD LYS 4 13.450 2.376 -4.602 36 HE2 LYS 4 2HE LYS 4 14.242 0.249 -5.400 37 HE3 LYS 4 3HE LYS 4 12.995 0.206 -6.646 38 HZ1 LYS 4 1HZ LYS 4 15.124 0.875 -7.558 39 HZ2 LYS 4 2HZ LYS 4 15.211 2.177 -6.482 40 HZ3 LYS 4 3HZ LYS 4 14.012 2.144 -7.675 41 H ILE 5 H ILE 5 7.647 0.244 -5.324 42 HA ILE 5 HA ILE 5 7.123 -0.202 -8.086 43 HB ILE 5 HB ILE 5 5.095 -1.379 -7.310 44 HG12 ILE 5 2HG1 ILE 5 5.210 -1.615 -4.632 45 HG13 ILE 5 3HG1 ILE 5 5.794 0.038 -4.797 46 HG21 ILE 5 1HG2 ILE 5 7.685 -1.985 -5.903 47 HG22 ILE 5 2HG2 ILE 5 6.299 -3.074 -5.891 48 HG23 ILE 5 3HG2 ILE 5 7.085 -2.666 -7.416 49 HD11 ILE 5 1HD1 ILE 5 3.582 0.460 -4.620 50 HD12 ILE 5 2HD1 ILE 5 3.660 0.214 -6.365 51 HD13 ILE 5 3HD1 ILE 5 3.114 -1.092 -5.313 52 H LEU 6 H LEU 6 5.786 1.935 -5.642 53 HA LEU 6 HA LEU 6 3.518 2.765 -7.133 54 HB2 LEU 6 2HB LEU 6 3.362 3.161 -4.852 55 HB3 LEU 6 3HB LEU 6 4.990 3.830 -4.758 56 HG LEU 6 HG LEU 6 4.212 5.867 -5.880 57 HD11 LEU 6 1HD1 LEU 6 1.664 6.134 -5.975 58 HD12 LEU 6 2HD1 LEU 6 1.614 4.372 -5.941 59 HD13 LEU 6 3HD1 LEU 6 2.448 5.204 -7.253 60 HD21 LEU 6 1HD2 LEU 6 3.235 6.817 -4.006 61 HD22 LEU 6 2HD2 LEU 6 4.064 5.411 -3.338 62 HD23 LEU 6 3HD2 LEU 6 2.322 5.360 -3.615 63 H ARG 7 H ARG 7 6.671 4.316 -6.539 64 HA ARG 7 HA ARG 7 6.341 6.605 -8.032 65 HB2 ARG 7 2HB ARG 7 8.345 5.827 -6.599 66 HB3 ARG 7 3HB ARG 7 8.929 5.076 -8.077 67 HG2 ARG 7 2HG ARG 7 9.998 7.152 -7.983 68 HG3 ARG 7 3HG ARG 7 8.693 7.366 -9.152 69 HD2 ARG 7 2HD ARG 7 7.401 8.612 -7.657 70 HD3 ARG 7 3HD ARG 7 8.310 8.042 -6.257 71 HE ARG 7 HE ARG 7 9.894 9.572 -8.097 72 HH11 ARG 7 1HH1 ARG 7 7.695 9.740 -5.403 73 HH12 ARG 7 2HH1 ARG 7 8.268 11.283 -4.864 74 HH21 ARG 7 1HH2 ARG 7 10.657 11.604 -7.396 75 HH22 ARG 7 2HH2 ARG 7 9.952 12.343 -5.999 76 H LYS 8 H LYS 8 7.062 3.350 -9.133 77 HA LYS 8 HA LYS 8 7.896 3.773 -11.715 78 HB2 LYS 8 2HB LYS 8 7.522 1.564 -10.439 79 HB3 LYS 8 3HB LYS 8 5.877 1.641 -11.056 80 HG2 LYS 8 2HG LYS 8 6.929 1.847 -13.366 81 HG3 LYS 8 3HG LYS 8 8.437 1.353 -12.593 82 HD2 LYS 8 2HD LYS 8 5.922 -0.245 -12.245 83 HD3 LYS 8 3HD LYS 8 6.948 -0.460 -13.665 84 HE2 LYS 8 2HE LYS 8 7.982 -0.630 -10.843 85 HE3 LYS 8 3HE LYS 8 7.384 -2.029 -11.734 86 HZ1 LYS 8 1HZ LYS 8 9.514 -0.293 -12.824 87 HZ2 LYS 8 2HZ LYS 8 9.110 -1.873 -13.274 88 HZ3 LYS 8 3HZ LYS 8 9.868 -1.585 -11.789 89 H ILE 9 H ILE 9 4.543 3.617 -10.546 90 HA ILE 9 HA ILE 9 3.400 4.139 -13.107 91 HB ILE 9 HB ILE 9 2.172 4.411 -10.361 92 HG12 ILE 9 2HG1 ILE 9 1.033 2.218 -11.330 93 HG13 ILE 9 3HG1 ILE 9 2.520 2.140 -12.267 94 HG21 ILE 9 1HG2 ILE 9 0.808 5.678 -11.770 95 HG22 ILE 9 2HG2 ILE 9 1.015 4.566 -13.122 96 HG23 ILE 9 3HG2 ILE 9 0.032 4.095 -11.736 97 HD11 ILE 9 1HD1 ILE 9 2.292 0.963 -9.928 98 HD12 ILE 9 2HD1 ILE 9 3.807 1.705 -10.443 99 HD13 ILE 9 3HD1 ILE 9 2.733 2.566 -9.340 100 H VAL 10 H VAL 10 4.318 6.118 -10.350 101 HA VAL 10 HA VAL 10 3.042 8.503 -11.087 102 HB VAL 10 HB VAL 10 5.675 8.245 -9.628 103 HG11 VAL 10 1HG1 VAL 10 3.651 10.451 -9.874 104 HG12 VAL 10 2HG1 VAL 10 4.802 10.378 -8.538 105 HG13 VAL 10 3HG1 VAL 10 5.383 10.505 -10.199 106 HG21 VAL 10 1HG2 VAL 10 2.835 7.984 -8.690 107 HG22 VAL 10 2HG2 VAL 10 4.195 6.896 -8.413 108 HG23 VAL 10 3HG2 VAL 10 4.134 8.456 -7.594 109 H ARG 11 H ARG 11 6.378 7.421 -11.716 110 HA ARG 11 HA ARG 11 7.272 9.612 -13.148 111 HB2 ARG 11 2HB ARG 11 8.478 7.406 -12.394 112 HB3 ARG 11 3HB ARG 11 8.058 6.856 -14.010 113 HG2 ARG 11 2HG ARG 11 9.168 9.029 -14.814 114 HG3 ARG 11 3HG ARG 11 9.875 9.089 -13.198 115 HD2 ARG 11 2HD ARG 11 11.456 7.998 -14.581 116 HD3 ARG 11 3HD ARG 11 10.701 6.742 -13.600 117 HE ARG 11 HE ARG 11 9.241 6.833 -15.926 118 HH11 ARG 11 1HH1 ARG 11 12.569 6.280 -15.067 119 HH12 ARG 11 2HH1 ARG 11 12.878 5.231 -16.411 120 HH21 ARG 11 1HH2 ARG 11 9.635 5.453 -17.699 121 HH22 ARG 11 2HH2 ARG 11 11.208 4.762 -17.908 122 H ALA 12 H ALA 12 5.785 6.645 -14.450 123 HA ALA 12 HA ALA 12 5.755 7.419 -17.134 124 HB1 ALA 12 1HB ALA 12 3.765 5.776 -17.240 125 HB2 ALA 12 2HB ALA 12 5.351 5.163 -16.770 126 HB3 ALA 12 3HB ALA 12 4.128 5.478 -15.540 127 H LEU 13 H LEU 13 3.250 7.772 -14.635 128 HA LEU 13 HA LEU 13 1.264 8.919 -16.206 129 HB2 LEU 13 2HB LEU 13 1.944 8.956 -13.318 130 HB3 LEU 13 3HB LEU 13 0.774 10.140 -13.896 131 HG LEU 13 HG LEU 13 0.462 7.181 -14.357 132 HD11 LEU 13 1HD1 LEU 13 -0.848 6.994 -12.420 133 HD12 LEU 13 2HD1 LEU 13 -0.896 8.740 -12.180 134 HD13 LEU 13 3HD1 LEU 13 0.604 7.855 -11.907 135 HD21 LEU 13 1HD2 LEU 13 -1.363 9.565 -14.564 136 HD22 LEU 13 2HD2 LEU 13 -1.946 7.901 -14.551 137 HD23 LEU 13 3HD2 LEU 13 -0.878 8.452 -15.842 Start of MODEL 8 1 H1 PHE 1 H PHE 1 0.947 0.009 0.397 2 HA PHE 1 HA PHE 1 1.893 -1.516 -1.940 3 HB2 PHE 1 2HB PHE 1 1.850 0.547 -3.219 4 HB3 PHE 1 3HB PHE 1 0.269 0.277 -2.492 5 HD1 PHE 1 HD1 PHE 1 -0.648 1.807 -0.937 6 HD2 PHE 1 HD2 PHE 1 3.369 2.256 -2.270 7 HE1 PHE 1 HE1 PHE 1 -0.566 4.048 0.075 8 HE2 PHE 1 HE2 PHE 1 3.458 4.498 -1.259 9 HZ PHE 1 HZ PHE 1 1.489 5.396 -0.085 10 H LEU 2 H LEU 2 3.894 -0.412 -2.949 11 HA LEU 2 HA LEU 2 5.761 0.277 -0.775 12 HB2 LEU 2 2HB LEU 2 6.069 -1.462 -3.186 13 HB3 LEU 2 3HB LEU 2 7.479 -0.660 -2.497 14 HG LEU 2 HG LEU 2 7.295 -2.958 -1.713 15 HD11 LEU 2 1HD1 LEU 2 8.264 -1.246 -0.242 16 HD12 LEU 2 2HD1 LEU 2 7.475 -2.536 0.665 17 HD13 LEU 2 3HD1 LEU 2 6.674 -0.976 0.473 18 HD21 LEU 2 1HD2 LEU 2 4.759 -2.203 -0.294 19 HD22 LEU 2 2HD2 LEU 2 5.460 -3.804 -0.527 20 HD23 LEU 2 3HD2 LEU 2 4.747 -2.946 -1.893 21 HA PRO 3 HA PRO 3 6.827 4.004 -2.831 22 HB2 PRO 3 2HB PRO 3 9.494 4.174 -2.352 23 HB3 PRO 3 3HB PRO 3 8.274 4.427 -1.097 24 HG2 PRO 3 2HG PRO 3 9.905 1.987 -1.690 25 HG3 PRO 3 3HG PRO 3 9.511 2.715 -0.122 26 HD2 PRO 3 2HD PRO 3 8.201 0.554 -1.096 27 HD3 PRO 3 3HD PRO 3 7.410 1.768 -0.069 28 H LYS 4 H LYS 4 9.015 1.294 -3.524 29 HA LYS 4 HA LYS 4 10.142 2.358 -5.873 30 HB2 LYS 4 2HB LYS 4 9.780 -0.496 -4.953 31 HB3 LYS 4 3HB LYS 4 10.694 -0.049 -6.387 32 HG2 LYS 4 2HG LYS 4 11.342 1.080 -3.686 33 HG3 LYS 4 3HG LYS 4 11.994 -0.464 -4.239 34 HD2 LYS 4 2HD LYS 4 12.244 2.012 -5.913 35 HD3 LYS 4 3HD LYS 4 13.391 1.671 -4.615 36 HE2 LYS 4 2HE LYS 4 14.073 -0.362 -5.644 37 HE3 LYS 4 3HE LYS 4 12.750 -0.290 -6.808 38 HZ1 LYS 4 1HZ LYS 4 15.085 1.538 -6.669 39 HZ2 LYS 4 2HZ LYS 4 13.776 1.738 -7.721 40 HZ3 LYS 4 3HZ LYS 4 14.776 0.381 -7.864 41 H ILE 5 H ILE 5 7.437 0.093 -5.413 42 HA ILE 5 HA ILE 5 6.815 -0.083 -8.183 43 HB ILE 5 HB ILE 5 4.706 -1.132 -7.446 44 HG12 ILE 5 2HG1 ILE 5 4.834 -1.578 -4.799 45 HG13 ILE 5 3HG1 ILE 5 5.578 0.016 -4.848 46 HG21 ILE 5 1HG2 ILE 5 7.033 -2.201 -5.864 47 HG22 ILE 5 2HG2 ILE 5 5.683 -3.105 -6.548 48 HG23 ILE 5 3HG2 ILE 5 6.883 -2.373 -7.612 49 HD11 ILE 5 1HD1 ILE 5 3.437 0.495 -6.369 50 HD12 ILE 5 2HD1 ILE 5 2.791 -0.795 -5.353 51 HD13 ILE 5 3HD1 ILE 5 3.437 0.670 -4.614 52 H LEU 6 H LEU 6 5.753 1.987 -5.559 53 HA LEU 6 HA LEU 6 3.529 3.123 -6.908 54 HB2 LEU 6 2HB LEU 6 3.488 3.366 -4.597 55 HB3 LEU 6 3HB LEU 6 5.169 3.892 -4.527 56 HG LEU 6 HG LEU 6 4.526 6.057 -5.481 57 HD11 LEU 6 1HD1 LEU 6 2.670 5.633 -6.827 58 HD12 LEU 6 2HD1 LEU 6 2.010 6.538 -5.466 59 HD13 LEU 6 3HD1 LEU 6 1.811 4.787 -5.540 60 HD21 LEU 6 1HD2 LEU 6 4.423 5.445 -2.971 61 HD22 LEU 6 2HD2 LEU 6 2.675 5.546 -3.183 62 HD23 LEU 6 3HD2 LEU 6 3.687 6.953 -3.513 63 H ARG 7 H ARG 7 6.814 4.367 -6.298 64 HA ARG 7 HA ARG 7 6.633 6.755 -7.668 65 HB2 ARG 7 2HB ARG 7 8.588 5.695 -6.291 66 HB3 ARG 7 3HB ARG 7 9.130 5.110 -7.858 67 HG2 ARG 7 2HG ARG 7 10.286 7.116 -7.502 68 HG3 ARG 7 3HG ARG 7 9.000 7.516 -8.642 69 HD2 ARG 7 2HD ARG 7 7.677 8.498 -6.907 70 HD3 ARG 7 3HD ARG 7 8.786 7.920 -5.665 71 HE ARG 7 HE ARG 7 10.343 9.486 -7.248 72 HH11 ARG 7 1HH1 ARG 7 7.336 9.967 -5.562 73 HH12 ARG 7 2HH1 ARG 7 7.601 11.659 -5.303 74 HH21 ARG 7 1HH2 ARG 7 10.704 11.713 -6.913 75 HH22 ARG 7 2HH2 ARG 7 9.517 12.651 -6.072 76 H LYS 8 H LYS 8 7.413 3.542 -8.939 77 HA LYS 8 HA LYS 8 8.110 4.167 -11.527 78 HB2 LYS 8 2HB LYS 8 6.746 1.821 -10.276 79 HB3 LYS 8 3HB LYS 8 6.840 1.906 -12.031 80 HG2 LYS 8 2HG LYS 8 9.225 1.939 -11.973 81 HG3 LYS 8 3HG LYS 8 9.231 2.108 -10.216 82 HD2 LYS 8 2HD LYS 8 9.675 -0.155 -10.543 83 HD3 LYS 8 3HD LYS 8 7.940 -0.124 -10.217 84 HE2 LYS 8 2HE LYS 8 7.610 -0.048 -12.726 85 HE3 LYS 8 3HE LYS 8 9.329 -0.414 -12.872 86 HZ1 LYS 8 1HZ LYS 8 7.309 -2.098 -11.492 87 HZ2 LYS 8 2HZ LYS 8 8.959 -2.449 -11.615 88 HZ3 LYS 8 3HZ LYS 8 7.995 -2.417 -13.005 89 H ILE 9 H ILE 9 4.851 3.752 -10.192 90 HA ILE 9 HA ILE 9 3.440 4.075 -12.600 91 HB ILE 9 HB ILE 9 2.497 4.831 -9.833 92 HG12 ILE 9 2HG1 ILE 9 3.330 2.522 -9.894 93 HG13 ILE 9 3HG1 ILE 9 1.578 2.557 -9.720 94 HG21 ILE 9 1HG2 ILE 9 0.894 3.984 -12.239 95 HG22 ILE 9 2HG2 ILE 9 0.278 4.550 -10.688 96 HG23 ILE 9 3HG2 ILE 9 1.141 5.661 -11.752 97 HD11 ILE 9 1HD1 ILE 9 2.347 0.829 -11.278 98 HD12 ILE 9 2HD1 ILE 9 1.305 2.020 -12.057 99 HD13 ILE 9 3HD1 ILE 9 3.051 2.082 -12.300 100 H VAL 10 H VAL 10 4.496 6.421 -10.168 101 HA VAL 10 HA VAL 10 3.211 8.682 -11.189 102 HB VAL 10 HB VAL 10 5.904 8.617 -9.822 103 HG11 VAL 10 1HG1 VAL 10 3.837 10.808 -9.855 104 HG12 VAL 10 2HG1 VAL 10 5.472 10.880 -9.195 105 HG13 VAL 10 3HG1 VAL 10 5.228 10.753 -10.937 106 HG21 VAL 10 1HG2 VAL 10 3.117 8.666 -8.675 107 HG22 VAL 10 2HG2 VAL 10 4.341 7.414 -8.460 108 HG23 VAL 10 3HG2 VAL 10 4.577 9.010 -7.747 109 H ARG 11 H ARG 11 6.520 7.509 -11.802 110 HA ARG 11 HA ARG 11 7.345 9.475 -13.565 111 HB2 ARG 11 2HB ARG 11 8.640 7.468 -12.562 112 HB3 ARG 11 3HB ARG 11 8.081 6.593 -13.981 113 HG2 ARG 11 2HG ARG 11 9.532 9.204 -14.221 114 HG3 ARG 11 3HG ARG 11 10.392 7.670 -14.072 115 HD2 ARG 11 2HD ARG 11 8.952 6.879 -16.028 116 HD3 ARG 11 3HD ARG 11 8.542 8.578 -16.257 117 HE ARG 11 HE ARG 11 11.267 8.546 -16.172 118 HH11 ARG 11 1HH1 ARG 11 8.851 6.909 -18.071 119 HH12 ARG 11 2HH1 ARG 11 9.859 6.772 -19.473 120 HH21 ARG 11 1HH2 ARG 11 12.603 8.372 -18.012 121 HH22 ARG 11 2HH2 ARG 11 11.993 7.604 -19.438 122 H ALA 12 H ALA 12 5.822 6.354 -14.373 123 HA ALA 12 HA ALA 12 5.672 6.752 -17.137 124 HB1 ALA 12 1HB ALA 12 3.636 5.122 -16.853 125 HB2 ALA 12 2HB ALA 12 5.284 4.569 -16.551 126 HB3 ALA 12 3HB ALA 12 4.238 5.002 -15.199 127 H LEU 13 H LEU 13 3.271 7.422 -14.600 128 HA LEU 13 HA LEU 13 1.205 8.330 -16.224 129 HB2 LEU 13 2HB LEU 13 2.006 8.765 -13.399 130 HB3 LEU 13 3HB LEU 13 0.792 9.846 -14.081 131 HG LEU 13 HG LEU 13 0.511 6.849 -14.122 132 HD11 LEU 13 1HD1 LEU 13 -0.714 6.914 -12.123 133 HD12 LEU 13 2HD1 LEU 13 -0.779 8.676 -12.119 134 HD13 LEU 13 3HD1 LEU 13 0.745 7.850 -11.795 135 HD21 LEU 13 1HD2 LEU 13 -1.443 9.122 -14.458 136 HD22 LEU 13 2HD2 LEU 13 -1.872 7.412 -14.404 137 HD23 LEU 13 3HD2 LEU 13 -0.871 8.029 -15.719 Start of MODEL 9 1 H1 PHE 1 H PHE 1 0.394 -1.353 -0.097 2 HA PHE 1 HA PHE 1 1.964 -1.489 -1.802 3 HB2 PHE 1 2HB PHE 1 1.907 0.543 -3.130 4 HB3 PHE 1 3HB PHE 1 0.321 0.266 -2.417 5 HD1 PHE 1 HD1 PHE 1 -0.639 1.817 -0.911 6 HD2 PHE 1 HD2 PHE 1 3.388 2.296 -2.202 7 HE1 PHE 1 HE1 PHE 1 -0.604 4.083 0.049 8 HE2 PHE 1 HE2 PHE 1 3.430 4.562 -1.244 9 HZ PHE 1 HZ PHE 1 1.432 5.458 -0.116 10 H LEU 2 H LEU 2 3.962 -0.378 -2.812 11 HA LEU 2 HA LEU 2 5.790 0.389 -0.631 12 HB2 LEU 2 2HB LEU 2 6.154 -1.400 -2.996 13 HB3 LEU 2 3HB LEU 2 7.543 -0.561 -2.309 14 HG LEU 2 HG LEU 2 7.383 -2.843 -1.473 15 HD11 LEU 2 1HD1 LEU 2 8.308 -1.082 -0.031 16 HD12 LEU 2 2HD1 LEU 2 7.526 -2.362 0.896 17 HD13 LEU 2 3HD1 LEU 2 6.705 -0.820 0.657 18 HD21 LEU 2 1HD2 LEU 2 5.546 -3.677 -0.267 19 HD22 LEU 2 2HD2 LEU 2 4.850 -2.899 -1.689 20 HD23 LEU 2 3HD2 LEU 2 4.808 -2.081 -0.126 21 HA PRO 3 HA PRO 3 6.826 4.083 -2.761 22 HB2 PRO 3 2HB PRO 3 9.484 4.305 -2.252 23 HB3 PRO 3 3HB PRO 3 8.245 4.568 -1.019 24 HG2 PRO 3 2HG PRO 3 9.919 2.141 -1.534 25 HG3 PRO 3 3HG PRO 3 9.494 2.899 0.011 26 HD2 PRO 3 2HD PRO 3 8.229 0.696 -0.927 27 HD3 PRO 3 3HD PRO 3 7.407 1.921 0.061 28 H LYS 4 H LYS 4 9.063 1.391 -3.362 29 HA LYS 4 HA LYS 4 10.204 2.417 -5.721 30 HB2 LYS 4 2HB LYS 4 9.880 -0.411 -4.715 31 HB3 LYS 4 3HB LYS 4 10.777 -0.008 -6.173 32 HG2 LYS 4 2HG LYS 4 11.433 1.235 -3.524 33 HG3 LYS 4 3HG LYS 4 12.096 -0.325 -4.017 34 HD2 LYS 4 2HD LYS 4 12.312 2.080 -5.796 35 HD3 LYS 4 3HD LYS 4 13.470 1.804 -4.493 36 HE2 LYS 4 2HE LYS 4 12.842 -0.327 -6.509 37 HE3 LYS 4 3HE LYS 4 14.040 0.923 -6.839 38 HZ1 LYS 4 1HZ LYS 4 14.099 -1.183 -4.771 39 HZ2 LYS 4 2HZ LYS 4 15.044 0.212 -4.618 40 HZ3 LYS 4 3HZ LYS 4 15.263 -0.817 -5.943 41 H ILE 5 H ILE 5 7.527 0.122 -5.241 42 HA ILE 5 HA ILE 5 6.944 -0.129 -8.014 43 HB ILE 5 HB ILE 5 4.842 -1.192 -7.279 44 HG12 ILE 5 2HG1 ILE 5 4.942 -1.574 -4.622 45 HG13 ILE 5 3HG1 ILE 5 5.662 0.030 -4.699 46 HG21 ILE 5 1HG2 ILE 5 6.702 -2.634 -7.468 47 HG22 ILE 5 2HG2 ILE 5 7.401 -2.051 -5.959 48 HG23 ILE 5 3HG2 ILE 5 5.936 -3.032 -5.930 49 HD11 ILE 5 1HD1 ILE 5 3.534 0.440 -6.257 50 HD12 ILE 5 2HD1 ILE 5 2.895 -0.834 -5.219 51 HD13 ILE 5 3HD1 ILE 5 3.510 0.657 -4.507 52 H LEU 6 H LEU 6 5.818 1.987 -5.454 53 HA LEU 6 HA LEU 6 3.594 3.057 -6.858 54 HB2 LEU 6 2HB LEU 6 3.519 3.353 -4.554 55 HB3 LEU 6 3HB LEU 6 5.191 3.905 -4.475 56 HG LEU 6 HG LEU 6 4.529 6.037 -5.487 57 HD11 LEU 6 1HD1 LEU 6 2.697 5.554 -6.847 58 HD12 LEU 6 2HD1 LEU 6 2.006 6.481 -5.515 59 HD13 LEU 6 3HD1 LEU 6 1.833 4.726 -5.551 60 HD21 LEU 6 1HD2 LEU 6 2.656 5.552 -3.203 61 HD22 LEU 6 2HD2 LEU 6 3.649 6.968 -3.553 62 HD23 LEU 6 3HD2 LEU 6 4.402 5.485 -2.965 63 H ARG 7 H ARG 7 6.853 4.365 -6.234 64 HA ARG 7 HA ARG 7 6.654 6.717 -7.662 65 HB2 ARG 7 2HB ARG 7 8.605 5.719 -6.234 66 HB3 ARG 7 3HB ARG 7 9.178 5.107 -7.780 67 HG2 ARG 7 2HG ARG 7 10.298 7.139 -7.453 68 HG3 ARG 7 3HG ARG 7 9.023 7.492 -8.621 69 HD2 ARG 7 2HD ARG 7 7.654 8.481 -6.918 70 HD3 ARG 7 3HD ARG 7 8.774 7.968 -5.656 71 HE ARG 7 HE ARG 7 10.002 9.661 -7.610 72 HH11 ARG 7 1HH1 ARG 7 8.064 9.615 -4.719 73 HH12 ARG 7 2HH1 ARG 7 8.542 11.203 -4.217 74 HH21 ARG 7 1HH2 ARG 7 10.640 11.752 -6.959 75 HH22 ARG 7 2HH2 ARG 7 10.007 12.418 -5.492 76 H LYS 8 H LYS 8 7.500 3.488 -8.847 77 HA LYS 8 HA LYS 8 8.224 4.062 -11.439 78 HB2 LYS 8 2HB LYS 8 7.928 1.783 -10.087 79 HB3 LYS 8 3HB LYS 8 6.433 1.722 -11.011 80 HG2 LYS 8 2HG LYS 8 9.049 2.219 -12.374 81 HG3 LYS 8 3HG LYS 8 8.537 0.581 -11.960 82 HD2 LYS 8 2HD LYS 8 6.722 2.437 -13.462 83 HD3 LYS 8 3HD LYS 8 7.961 1.500 -14.300 84 HE2 LYS 8 2HE LYS 8 5.930 0.258 -12.458 85 HE3 LYS 8 3HE LYS 8 5.654 0.464 -14.187 86 HZ1 LYS 8 1HZ LYS 8 7.890 -0.764 -14.406 87 HZ2 LYS 8 2HZ LYS 8 6.501 -1.660 -14.049 88 HZ3 LYS 8 3HZ LYS 8 7.598 -1.276 -12.820 89 H ILE 9 H ILE 9 4.952 3.627 -10.141 90 HA ILE 9 HA ILE 9 3.572 3.874 -12.575 91 HB ILE 9 HB ILE 9 2.578 4.682 -9.841 92 HG12 ILE 9 2HG1 ILE 9 3.445 2.386 -9.833 93 HG13 ILE 9 3HG1 ILE 9 1.692 2.398 -9.684 94 HG21 ILE 9 1HG2 ILE 9 0.375 4.351 -10.718 95 HG22 ILE 9 2HG2 ILE 9 1.239 5.444 -11.798 96 HG23 ILE 9 3HG2 ILE 9 1.021 3.753 -12.246 97 HD11 ILE 9 1HD1 ILE 9 2.573 0.649 -11.198 98 HD12 ILE 9 2HD1 ILE 9 1.436 1.754 -11.972 99 HD13 ILE 9 3HD1 ILE 9 3.168 1.924 -12.260 100 H VAL 10 H VAL 10 4.558 6.292 -10.185 101 HA VAL 10 HA VAL 10 3.256 8.510 -11.278 102 HB VAL 10 HB VAL 10 5.929 8.516 -9.870 103 HG11 VAL 10 1HG1 VAL 10 3.831 10.676 -9.985 104 HG12 VAL 10 2HG1 VAL 10 5.455 10.786 -9.303 105 HG13 VAL 10 3HG1 VAL 10 5.239 10.616 -11.046 106 HG21 VAL 10 1HG2 VAL 10 4.492 9.006 -7.843 107 HG22 VAL 10 2HG2 VAL 10 3.116 8.459 -8.801 108 HG23 VAL 10 3HG2 VAL 10 4.442 7.350 -8.448 109 H ARG 11 H ARG 11 6.590 7.371 -11.814 110 HA ARG 11 HA ARG 11 7.413 9.307 -13.611 111 HB2 ARG 11 2HB ARG 11 8.692 7.300 -12.536 112 HB3 ARG 11 3HB ARG 11 8.212 6.444 -13.996 113 HG2 ARG 11 2HG ARG 11 9.642 9.078 -14.100 114 HG3 ARG 11 3HG ARG 11 10.503 7.543 -13.980 115 HD2 ARG 11 2HD ARG 11 9.313 6.784 -16.025 116 HD3 ARG 11 3HD ARG 11 8.609 8.394 -16.165 117 HE ARG 11 HE ARG 11 11.458 8.471 -16.007 118 HH11 ARG 11 1HH1 ARG 11 8.775 7.921 -18.156 119 HH12 ARG 11 2HH1 ARG 11 9.653 8.374 -19.579 120 HH21 ARG 11 1HH2 ARG 11 12.625 9.069 -17.873 121 HH22 ARG 11 2HH2 ARG 11 11.844 9.026 -19.417 122 H ALA 12 H ALA 12 5.949 6.146 -14.366 123 HA ALA 12 HA ALA 12 5.834 6.476 -17.140 124 HB1 ALA 12 1HB ALA 12 4.357 4.621 -17.178 125 HB2 ALA 12 2HB ALA 12 5.484 4.345 -15.849 126 HB3 ALA 12 3HB ALA 12 3.847 4.908 -15.514 127 H LEU 13 H LEU 13 3.386 7.169 -14.656 128 HA LEU 13 HA LEU 13 1.331 8.007 -16.332 129 HB2 LEU 13 2HB LEU 13 2.083 8.520 -13.506 130 HB3 LEU 13 3HB LEU 13 0.865 9.567 -14.231 131 HG LEU 13 HG LEU 13 0.626 6.566 -14.207 132 HD11 LEU 13 1HD1 LEU 13 -0.736 8.409 -12.270 133 HD12 LEU 13 2HD1 LEU 13 0.809 7.644 -11.901 134 HD13 LEU 13 3HD1 LEU 13 -0.612 6.650 -12.223 135 HD21 LEU 13 1HD2 LEU 13 -1.436 8.745 -14.522 136 HD22 LEU 13 2HD2 LEU 13 -1.707 7.006 -14.641 137 HD23 LEU 13 3HD2 LEU 13 -0.720 7.830 -15.849 Start of MODEL 10 1 H1 PHE 1 H PHE 1 1.329 -0.789 0.804 2 HA PHE 1 HA PHE 1 2.019 -1.054 -1.448 3 HB2 PHE 1 2HB PHE 1 1.970 0.810 -3.010 4 HB3 PHE 1 3HB PHE 1 0.395 0.639 -2.243 5 HD1 PHE 1 HD1 PHE 1 -0.532 2.378 -0.944 6 HD2 PHE 1 HD2 PHE 1 3.497 2.633 -2.292 7 HE1 PHE 1 HE1 PHE 1 -0.456 4.740 -0.259 8 HE2 PHE 1 HE2 PHE 1 3.581 4.995 -1.609 9 HZ PHE 1 HZ PHE 1 1.603 6.052 -0.590 10 H LEU 2 H LEU 2 4.018 -0.173 -2.619 11 HA LEU 2 HA LEU 2 5.929 0.772 -0.587 12 HB2 LEU 2 2HB LEU 2 6.172 -1.163 -2.851 13 HB3 LEU 2 3HB LEU 2 7.600 -0.307 -2.272 14 HG LEU 2 HG LEU 2 7.443 -2.531 -1.293 15 HD11 LEU 2 1HD1 LEU 2 8.447 -0.697 0.000 16 HD12 LEU 2 2HD1 LEU 2 7.693 -1.911 1.033 17 HD13 LEU 2 3HD1 LEU 2 6.878 -0.375 0.737 18 HD21 LEU 2 1HD2 LEU 2 4.932 -1.645 0.101 19 HD22 LEU 2 2HD2 LEU 2 5.646 -3.257 0.041 20 HD23 LEU 2 3HD2 LEU 2 4.906 -2.566 -1.403 21 HA PRO 3 HA PRO 3 6.917 4.316 -2.980 22 HB2 PRO 3 2HB PRO 3 9.592 4.540 -2.576 23 HB3 PRO 3 3HB PRO 3 8.398 4.894 -1.321 24 HG2 PRO 3 2HG PRO 3 10.032 2.420 -1.738 25 HG3 PRO 3 3HG PRO 3 9.667 3.279 -0.230 26 HD2 PRO 3 2HD PRO 3 8.351 1.036 -0.984 27 HD3 PRO 3 3HD PRO 3 7.575 2.329 -0.048 28 H LYS 4 H LYS 4 9.073 1.545 -3.493 29 HA LYS 4 HA LYS 4 10.160 2.410 -5.944 30 HB2 LYS 4 2HB LYS 4 10.777 0.411 -4.300 31 HB3 LYS 4 3HB LYS 4 9.786 -0.502 -5.431 32 HG2 LYS 4 2HG LYS 4 11.261 0.523 -7.256 33 HG3 LYS 4 3HG LYS 4 12.355 0.952 -5.939 34 HD2 LYS 4 2HD LYS 4 13.161 -1.111 -6.658 35 HD3 LYS 4 3HD LYS 4 12.163 -1.528 -5.263 36 HE2 LYS 4 2HE LYS 4 10.285 -1.976 -6.866 37 HE3 LYS 4 3HE LYS 4 11.444 -1.775 -8.179 38 HZ1 LYS 4 1HZ LYS 4 12.775 -3.561 -6.972 39 HZ2 LYS 4 2HZ LYS 4 11.385 -4.054 -7.800 40 HZ3 LYS 4 3HZ LYS 4 11.352 -3.887 -6.116 41 H ILE 5 H ILE 5 7.458 0.207 -5.237 42 HA ILE 5 HA ILE 5 6.778 -0.192 -7.973 43 HB ILE 5 HB ILE 5 4.684 -1.178 -7.102 44 HG12 ILE 5 2HG1 ILE 5 4.901 -1.439 -4.436 45 HG13 ILE 5 3HG1 ILE 5 5.640 0.148 -4.621 46 HG21 ILE 5 1HG2 ILE 5 5.683 -3.096 -6.174 47 HG22 ILE 5 2HG2 ILE 5 6.908 -2.393 -7.229 48 HG23 ILE 5 3HG2 ILE 5 7.013 -2.167 -5.483 49 HD11 ILE 5 1HD1 ILE 5 3.454 0.531 -6.094 50 HD12 ILE 5 2HD1 ILE 5 2.839 -0.697 -4.987 51 HD13 ILE 5 3HD1 ILE 5 3.503 0.809 -4.354 52 H LEU 6 H LEU 6 5.767 2.069 -5.490 53 HA LEU 6 HA LEU 6 3.509 3.095 -6.876 54 HB2 LEU 6 2HB LEU 6 3.854 3.332 -4.450 55 HB3 LEU 6 3HB LEU 6 5.214 4.409 -4.763 56 HG LEU 6 HG LEU 6 3.007 5.478 -4.086 57 HD11 LEU 6 1HD1 LEU 6 5.025 6.526 -5.309 58 HD12 LEU 6 2HD1 LEU 6 3.493 7.398 -5.287 59 HD13 LEU 6 3HD1 LEU 6 3.975 6.500 -6.726 60 HD21 LEU 6 1HD2 LEU 6 1.376 5.820 -5.859 61 HD22 LEU 6 2HD2 LEU 6 1.558 4.102 -5.502 62 HD23 LEU 6 3HD2 LEU 6 2.314 4.790 -6.940 63 H ARG 7 H ARG 7 6.816 4.351 -6.445 64 HA ARG 7 HA ARG 7 6.617 6.654 -7.947 65 HB2 ARG 7 2HB ARG 7 8.607 5.691 -6.585 66 HB3 ARG 7 3HB ARG 7 9.070 4.928 -8.101 67 HG2 ARG 7 2HG ARG 7 10.295 6.923 -7.998 68 HG3 ARG 7 3HG ARG 7 8.979 7.242 -9.129 69 HD2 ARG 7 2HD ARG 7 7.808 8.544 -7.574 70 HD3 ARG 7 3HD ARG 7 8.737 7.913 -6.215 71 HE ARG 7 HE ARG 7 10.356 9.341 -8.093 72 HH11 ARG 7 1HH1 ARG 7 8.201 9.682 -5.380 73 HH12 ARG 7 2HH1 ARG 7 8.868 11.199 -4.874 74 HH21 ARG 7 1HH2 ARG 7 11.242 11.338 -7.438 75 HH22 ARG 7 2HH2 ARG 7 10.597 12.141 -6.046 76 H LYS 8 H LYS 8 7.334 3.367 -9.065 77 HA LYS 8 HA LYS 8 7.909 3.849 -11.714 78 HB2 LYS 8 2HB LYS 8 6.438 1.560 -10.415 79 HB3 LYS 8 3HB LYS 8 6.852 1.565 -12.124 80 HG2 LYS 8 2HG LYS 8 8.916 1.941 -9.979 81 HG3 LYS 8 3HG LYS 8 8.427 0.347 -10.557 82 HD2 LYS 8 2HD LYS 8 9.306 0.704 -12.673 83 HD3 LYS 8 3HD LYS 8 9.264 2.461 -12.503 84 HE2 LYS 8 2HE LYS 8 11.525 1.966 -12.312 85 HE3 LYS 8 3HE LYS 8 11.003 2.095 -10.633 86 HZ1 LYS 8 1HZ LYS 8 12.447 0.123 -11.252 87 HZ2 LYS 8 2HZ LYS 8 11.089 -0.505 -12.040 88 HZ3 LYS 8 3HZ LYS 8 11.040 -0.212 -10.374 89 H ILE 9 H ILE 9 4.721 3.499 -10.204 90 HA ILE 9 HA ILE 9 3.196 3.674 -12.558 91 HB ILE 9 HB ILE 9 2.377 4.582 -9.797 92 HG12 ILE 9 2HG1 ILE 9 3.224 2.278 -9.766 93 HG13 ILE 9 3HG1 ILE 9 1.483 2.314 -9.511 94 HG21 ILE 9 1HG2 ILE 9 0.122 4.243 -10.528 95 HG22 ILE 9 2HG2 ILE 9 0.927 5.295 -11.691 96 HG23 ILE 9 3HG2 ILE 9 0.670 3.593 -12.073 97 HD11 ILE 9 1HD1 ILE 9 2.247 0.506 -11.015 98 HD12 ILE 9 2HD1 ILE 9 1.084 1.603 -11.762 99 HD13 ILE 9 3HD1 ILE 9 2.799 1.736 -12.152 100 H VAL 10 H VAL 10 4.346 6.160 -10.316 101 HA VAL 10 HA VAL 10 2.998 8.353 -11.402 102 HB VAL 10 HB VAL 10 5.752 8.380 -10.162 103 HG11 VAL 10 1HG1 VAL 10 3.669 10.556 -10.221 104 HG12 VAL 10 2HG1 VAL 10 5.333 10.672 -9.645 105 HG13 VAL 10 3HG1 VAL 10 5.008 10.445 -11.364 106 HG21 VAL 10 1HG2 VAL 10 3.019 8.458 -8.897 107 HG22 VAL 10 2HG2 VAL 10 4.284 7.255 -8.650 108 HG23 VAL 10 3HG2 VAL 10 4.504 8.900 -8.055 109 H ARG 11 H ARG 11 6.283 7.164 -12.103 110 HA ARG 11 HA ARG 11 7.009 9.030 -14.012 111 HB2 ARG 11 2HB ARG 11 8.335 7.045 -12.951 112 HB3 ARG 11 3HB ARG 11 7.759 6.147 -14.349 113 HG2 ARG 11 2HG ARG 11 9.867 6.924 -14.972 114 HG3 ARG 11 3HG ARG 11 8.740 8.034 -15.754 115 HD2 ARG 11 2HD ARG 11 9.088 9.670 -14.003 116 HD3 ARG 11 3HD ARG 11 10.129 8.548 -13.127 117 HE ARG 11 HE ARG 11 11.848 9.067 -14.559 118 HH11 ARG 11 1HH1 ARG 11 8.853 10.293 -15.841 119 HH12 ARG 11 2HH1 ARG 11 9.616 11.213 -17.096 120 HH21 ARG 11 1HH2 ARG 11 12.864 10.273 -16.207 121 HH22 ARG 11 2HH2 ARG 11 11.897 11.200 -17.304 122 H ALA 12 H ALA 12 5.474 5.861 -14.568 123 HA ALA 12 HA ALA 12 5.191 6.100 -17.340 124 HB1 ALA 12 1HB ALA 12 4.897 4.023 -15.931 125 HB2 ALA 12 2HB ALA 12 3.276 4.611 -15.562 126 HB3 ALA 12 3HB ALA 12 3.725 4.250 -17.229 127 H LEU 13 H LEU 13 2.907 6.901 -14.735 128 HA LEU 13 HA LEU 13 0.760 7.705 -16.308 129 HB2 LEU 13 2HB LEU 13 1.689 8.304 -13.553 130 HB3 LEU 13 3HB LEU 13 0.437 9.338 -14.237 131 HG LEU 13 HG LEU 13 0.177 6.342 -14.095 132 HD11 LEU 13 1HD1 LEU 13 -0.933 6.505 -12.043 133 HD12 LEU 13 2HD1 LEU 13 -1.051 8.262 -12.143 134 HD13 LEU 13 3HD1 LEU 13 0.511 7.499 -11.843 135 HD21 LEU 13 1HD2 LEU 13 -2.092 6.694 -14.565 136 HD22 LEU 13 2HD2 LEU 13 -1.235 7.767 -15.672 137 HD23 LEU 13 3HD2 LEU 13 -1.988 8.420 -14.216
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