NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
630483 | 6cov | 30434 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 1 HT1 GLU 1 7.022 -6.785 -2.283 2 H2 GLU 1 HT2 GLU 1 6.202 -8.204 -1.837 3 H3 GLU 1 HT3 GLU 1 5.338 -6.759 -2.060 4 HA GLU 1 HA GLU 1 6.913 -7.903 -4.245 5 HB2 GLU 1 HB2 GLU 1 4.283 -8.872 -3.103 6 HB3 GLU 1 HB1 GLU 1 4.393 -8.770 -4.895 7 HG2 GLU 1 HG2 GLU 1 6.496 -10.260 -3.193 8 HG3 GLU 1 HG1 GLU 1 5.013 -11.058 -3.854 9 H MET 2 HN MET 2 7.218 -5.742 -5.053 10 HA MET 2 HA MET 2 4.760 -4.673 -6.224 11 HB2 MET 2 HB2 MET 2 6.491 -3.200 -4.235 12 HB3 MET 2 HB1 MET 2 6.076 -2.309 -5.756 13 HG2 MET 2 HG2 MET 2 3.828 -2.205 -5.282 14 HG3 MET 2 HG1 MET 2 3.809 -3.734 -4.339 15 HE1 MET 2 HE1 MET 2 5.781 -3.664 -2.028 16 HE2 MET 2 HE2 MET 2 4.041 -4.103 -2.134 17 HE3 MET 2 HE3 MET 2 4.615 -3.014 -0.823 18 H ARG 3 HN ARG 3 5.229 -2.902 -7.455 19 HA ARG 3 HA ARG 3 7.338 -3.475 -9.258 20 HB2 ARG 3 HB2 ARG 3 4.494 -2.719 -9.395 21 HB3 ARG 3 HB1 ARG 3 5.505 -1.679 -10.430 22 HG2 ARG 3 HG2 ARG 3 6.350 -3.432 -11.636 23 HG3 ARG 3 HG1 ARG 3 5.803 -4.661 -10.424 24 HD2 ARG 3 HD2 ARG 3 3.388 -3.990 -10.975 25 HD3 ARG 3 HD1 ARG 3 4.048 -2.986 -12.335 26 HE ARG 3 HE ARG 3 3.976 -5.965 -12.199 27 HH11 ARG 3 HH11 ARG 3 5.220 -3.006 -13.756 28 HH12 ARG 3 HH12 ARG 3 5.640 -3.785 -15.244 29 HH21 ARG 3 HH21 ARG 3 4.547 -7.016 -14.222 30 HH22 ARG 3 HH22 ARG 3 5.250 -6.101 -15.513 31 H ILE 4 HN ILE 4 6.885 -1.015 -10.457 32 HA ILE 4 HA ILE 4 8.737 0.534 -9.926 33 HB ILE 4 HB ILE 4 6.919 2.426 -10.226 34 HG12 ILE 4 HG12 ILE 4 4.911 1.552 -11.312 35 HG13 ILE 4 HG11 ILE 4 5.540 -0.124 -11.254 36 HG21 ILE 4 HG21 ILE 4 8.702 1.858 -11.852 37 HG22 ILE 4 HG22 ILE 4 7.118 1.931 -12.714 38 HG23 ILE 4 HG23 ILE 4 7.846 0.332 -12.297 39 HD11 ILE 4 HD11 ILE 4 5.198 -0.305 -8.842 40 HD12 ILE 4 HD12 ILE 4 3.730 0.549 -9.470 41 HD13 ILE 4 HD13 ILE 4 5.050 1.492 -8.683 42 H SER 5 HN SER 5 6.362 -0.033 -7.655 43 HA SER 5 HA SER 5 6.210 2.302 -6.265 44 HB2 SER 5 HB2 SER 5 6.200 -0.551 -5.398 45 HB3 SER 5 HB1 SER 5 5.694 0.813 -4.318 46 HG SER 5 HG SER 5 3.812 0.616 -5.180 47 H ARG 6 HN ARG 6 8.191 -0.411 -6.388 48 HA ARG 6 HA ARG 6 9.669 -0.018 -4.048 49 HB2 ARG 6 HB2 ARG 6 10.807 -1.961 -4.850 50 HB3 ARG 6 HB1 ARG 6 9.080 -2.128 -5.390 51 HG2 ARG 6 HG2 ARG 6 9.804 -0.835 -7.480 52 HG3 ARG 6 HG1 ARG 6 11.497 -1.314 -7.010 53 HD2 ARG 6 HD2 ARG 6 9.135 -3.237 -7.256 54 HD3 ARG 6 HD1 ARG 6 10.364 -2.945 -8.571 55 HE ARG 6 HE ARG 6 11.700 -3.561 -6.071 56 HH11 ARG 6 HH11 ARG 6 9.729 -5.026 -8.653 57 HH12 ARG 6 HH12 ARG 6 10.415 -6.609 -8.493 58 HH21 ARG 6 HH21 ARG 6 12.632 -5.718 -5.853 59 HH22 ARG 6 HH22 ARG 6 12.092 -7.008 -6.873 60 H ILE 7 HN ILE 7 9.455 1.174 -7.210 61 HA ILE 7 HA ILE 7 12.181 1.868 -7.270 62 HB ILE 7 HB ILE 7 9.960 2.015 -9.223 63 HG12 ILE 7 HG12 ILE 7 12.592 0.557 -9.494 64 HG13 ILE 7 HG11 ILE 7 11.429 0.001 -8.246 65 HG21 ILE 7 HG21 ILE 7 11.786 2.775 -10.858 66 HG22 ILE 7 HG22 ILE 7 12.847 3.072 -9.429 67 HG23 ILE 7 HG23 ILE 7 11.316 4.010 -9.627 68 HD11 ILE 7 HD11 ILE 7 10.276 0.488 -10.982 69 HD12 ILE 7 HD12 ILE 7 9.919 -0.801 -9.760 70 HD13 ILE 7 HD13 ILE 7 11.391 -0.927 -10.817 71 H ILE 8 HN ILE 8 9.192 3.052 -6.516 72 HA ILE 8 HA ILE 8 10.003 5.804 -6.794 73 HB ILE 8 HB ILE 8 7.988 4.695 -4.900 74 HG12 ILE 8 HG12 ILE 8 7.367 3.582 -6.786 75 HG13 ILE 8 HG11 ILE 8 6.295 5.023 -6.837 76 HG21 ILE 8 HG21 ILE 8 8.877 7.295 -5.347 77 HG22 ILE 8 HG22 ILE 8 7.233 6.901 -4.713 78 HG23 ILE 8 HG23 ILE 8 7.464 7.241 -6.471 79 HD11 ILE 8 HD11 ILE 8 8.007 6.083 -8.446 80 HD12 ILE 8 HD12 ILE 8 7.159 4.618 -9.085 81 HD13 ILE 8 HD13 ILE 8 8.851 4.483 -8.468 82 H LEU 9 HN LEU 9 9.669 3.313 -4.653 83 HA LEU 9 HA LEU 9 10.457 4.424 -2.330 84 HB2 LEU 9 HB2 LEU 9 10.173 1.965 -3.728 85 HB3 LEU 9 HB1 LEU 9 11.434 1.895 -2.454 86 HG LEU 9 HG LEU 9 8.677 2.962 -1.783 87 HD11 LEU 9 HD11 LEU 9 8.018 0.546 -1.191 88 HD12 LEU 9 HD12 LEU 9 9.446 0.001 -2.153 89 HD13 LEU 9 HD13 LEU 9 8.110 0.899 -2.957 90 HD21 LEU 9 HD21 LEU 9 10.102 1.095 0.050 91 HD22 LEU 9 HD22 LEU 9 9.450 2.752 0.354 92 HD23 LEU 9 HD23 LEU 9 11.083 2.544 -0.413 93 H ASP 10 HN ASP 10 12.122 3.304 -5.061 94 HA ASP 10 HA ASP 10 14.498 3.367 -3.581 95 HB2 ASP 10 HB2 ASP 10 13.498 3.096 -6.308 96 HB3 ASP 10 HB1 ASP 10 15.153 3.797 -6.228 97 H PHE 11 HN PHE 11 12.420 5.546 -5.320 98 HA PHE 11 HA PHE 11 14.461 7.559 -5.436 99 HB2 PHE 11 HB2 PHE 11 11.530 7.492 -6.092 100 HB3 PHE 11 HB1 PHE 11 12.647 8.874 -6.537 101 HD1 PHE 11 HD1 PHE 11 11.233 7.508 -8.656 102 HD2 PHE 11 HD2 PHE 11 14.806 6.408 -6.677 103 HE1 PHE 11 HE1 PHE 11 11.850 6.003 -10.435 104 HE2 PHE 11 HE2 PHE 11 15.351 4.957 -8.253 105 HZ PHE 11 HZ PHE 11 13.958 4.702 -10.334 106 H LEU 12 HN LEU 12 12.576 6.231 -3.298 107 HA LEU 12 HA LEU 12 11.925 8.634 -2.043 108 HB2 LEU 12 HB2 LEU 12 11.487 5.762 -1.672 109 HB3 LEU 12 HB1 LEU 12 11.051 6.924 -0.348 110 HG LEU 12 HG LEU 12 10.216 7.087 -3.191 111 HD11 LEU 12 HD11 LEU 12 8.766 5.440 -2.829 112 HD12 LEU 12 HD12 LEU 12 7.982 6.408 -1.513 113 HD13 LEU 12 HD13 LEU 12 9.363 5.296 -1.140 114 HD21 LEU 12 HD21 LEU 12 9.935 8.833 -0.850 115 HD22 LEU 12 HD22 LEU 12 8.354 8.505 -1.669 116 HD23 LEU 12 HD23 LEU 12 9.739 9.197 -2.606 117 H PHE 13 HN PHE 13 13.876 5.787 -1.827 118 HA PHE 13 HA PHE 13 15.269 7.054 0.442 119 HB2 PHE 13 HB2 PHE 13 14.594 4.130 0.143 120 HB3 PHE 13 HB1 PHE 13 15.281 4.928 1.631 121 HD1 PHE 13 HD1 PHE 13 12.705 4.068 -0.407 122 HD2 PHE 13 HD2 PHE 13 13.644 6.460 2.883 123 HE1 PHE 13 HE1 PHE 13 10.539 4.364 -0.133 124 HE2 PHE 13 HE2 PHE 13 11.257 6.744 3.312 125 HZ PHE 13 HZ PHE 13 9.599 5.663 1.813 126 H DLE 14 HN DLE 14 15.205 4.977 -2.416 127 HA DLE 14 HA DLE 14 18.062 4.776 -2.095 128 HB2 DLE 14 HB2 DLE 14 18.298 4.041 -4.402 129 HB3 DLE 14 HB1 DLE 14 16.514 4.290 -4.610 130 HG DLE 14 HG DLE 14 16.909 6.569 -3.687 131 HD11 DLE 14 HD11 DLE 14 19.383 5.550 -3.168 132 HD12 DLE 14 HD12 DLE 14 19.000 7.323 -3.239 133 HD13 DLE 14 HD13 DLE 14 19.731 6.503 -4.677 134 HD21 DLE 14 HD21 DLE 14 16.743 5.557 -6.222 135 HD22 DLE 14 HD22 DLE 14 18.244 6.565 -6.350 136 HD23 DLE 14 HD23 DLE 14 16.684 7.310 -5.805 137 H ARG 15 HN ARG 15 15.676 3.462 -1.103 138 HA ARG 15 HA ARG 15 15.485 1.506 -0.277 139 HB2 ARG 15 HB2 ARG 15 15.819 0.902 -3.220 140 HB3 ARG 15 HB1 ARG 15 15.256 -0.357 -2.042 141 HG2 ARG 15 HG2 ARG 15 13.952 2.381 -1.925 142 HG3 ARG 15 HG1 ARG 15 13.523 1.308 -3.322 143 HD2 ARG 15 HD2 ARG 15 13.617 0.111 -0.507 144 HD3 ARG 15 HD1 ARG 15 12.181 1.103 -0.997 145 HE ARG 15 HE ARG 15 12.625 -0.628 -3.153 146 HH11 ARG 15 HH11 ARG 15 12.036 -0.907 0.353 147 HH12 ARG 15 HH12 ARG 15 11.233 -2.440 0.258 148 HH21 ARG 15 HH21 ARG 15 11.533 -2.727 -3.278 149 HH22 ARG 15 HH22 ARG 15 10.944 -3.490 -1.841 150 H LYS 16 HN LYS 16 17.839 2.727 -0.367 151 HA LYS 16 HA LYS 16 19.913 0.739 -0.625 152 HB2 LYS 16 HB2 LYS 16 21.472 2.698 -0.480 153 HB3 LYS 16 HB1 LYS 16 20.306 2.833 -1.856 154 HG2 LYS 16 HG2 LYS 16 18.845 4.271 -0.539 155 HG3 LYS 16 HG1 LYS 16 19.912 4.121 0.895 156 HD2 LYS 16 HD2 LYS 16 21.632 5.436 -0.099 157 HD3 LYS 16 HD1 LYS 16 20.998 5.186 -1.764 158 HE2 LYS 16 HE2 LYS 16 19.015 6.624 -1.267 159 HE3 LYS 16 HE1 LYS 16 19.573 6.828 0.446 160 HZ1 LYS 16 HZ1 LYS 16 21.631 7.808 -0.464 161 HZ2 LYS 16 HZ2 LYS 16 20.230 8.692 -0.839 162 HZ3 LYS 16 HZ3 LYS 16 20.968 7.727 -2.025 163 H LYS 17 HN LYS 17 17.791 2.208 1.550 164 HA LYS 17 HA LYS 17 19.568 1.409 3.681 165 HB2 LYS 17 HB2 LYS 17 17.666 3.778 3.954 166 HB3 LYS 17 HB1 LYS 17 18.952 3.267 5.104 167 HG2 LYS 17 HG2 LYS 17 20.483 3.661 2.864 168 HG3 LYS 17 HG1 LYS 17 19.151 4.823 2.530 169 HD2 LYS 17 HD2 LYS 17 19.498 5.868 4.794 170 HD3 LYS 17 HD1 LYS 17 20.854 4.729 5.098 171 HE2 LYS 17 HE2 LYS 17 21.905 6.770 4.361 172 HE3 LYS 17 HE1 LYS 17 21.922 5.700 2.897 173 HZ1 LYS 17 HZ1 LYS 17 21.024 8.182 2.914 174 HZ2 LYS 17 HZ2 LYS 17 19.571 7.376 3.263 175 HZ3 LYS 17 HZ3 LYS 17 20.444 6.982 1.860 Start of MODEL 2 1 H1 GLU 1 HT1 GLU 1 6.144 -8.470 -9.310 2 H2 GLU 1 HT2 GLU 1 5.851 -8.183 -7.660 3 H3 GLU 1 HT3 GLU 1 6.188 -9.756 -8.203 4 HA GLU 1 HA GLU 1 8.247 -9.362 -7.588 5 HB2 GLU 1 HB2 GLU 1 8.030 -7.592 -10.086 6 HB3 GLU 1 HB1 GLU 1 9.604 -7.971 -9.300 7 HG2 GLU 1 HG2 GLU 1 9.300 -10.395 -9.725 8 HG3 GLU 1 HG1 GLU 1 7.643 -10.103 -10.389 9 H MET 2 HN MET 2 6.735 -6.169 -8.436 10 HA MET 2 HA MET 2 7.697 -5.135 -5.912 11 HB2 MET 2 HB2 MET 2 8.213 -2.816 -7.307 12 HB3 MET 2 HB1 MET 2 9.540 -4.023 -6.916 13 HG2 MET 2 HG2 MET 2 8.576 -5.117 -9.294 14 HG3 MET 2 HG1 MET 2 8.286 -3.376 -9.561 15 HE1 MET 2 HE1 MET 2 10.201 -5.295 -11.338 16 HE2 MET 2 HE2 MET 2 11.380 -3.995 -11.730 17 HE3 MET 2 HE3 MET 2 9.628 -3.611 -11.600 18 H ARG 3 HN ARG 3 7.071 -3.303 -5.372 19 HA ARG 3 HA ARG 3 4.696 -2.576 -6.660 20 HB2 ARG 3 HB2 ARG 3 5.524 -2.630 -3.867 21 HB3 ARG 3 HB1 ARG 3 4.699 -1.085 -4.395 22 HG2 ARG 3 HG2 ARG 3 2.859 -2.504 -3.965 23 HG3 ARG 3 HG1 ARG 3 3.161 -2.618 -5.754 24 HD2 ARG 3 HD2 ARG 3 4.134 -4.776 -5.599 25 HD3 ARG 3 HD1 ARG 3 4.351 -4.683 -3.792 26 HE ARG 3 HE ARG 3 1.848 -5.334 -5.252 27 HH11 ARG 3 HH11 ARG 3 3.380 -4.229 -2.226 28 HH12 ARG 3 HH12 ARG 3 2.065 -4.710 -1.207 29 HH21 ARG 3 HH21 ARG 3 0.064 -5.983 -3.864 30 HH22 ARG 3 HH22 ARG 3 0.149 -5.724 -2.153 31 H ILE 4 HN ILE 4 4.730 -1.145 -7.857 32 HA ILE 4 HA ILE 4 6.917 -0.039 -8.790 33 HB ILE 4 HB ILE 4 4.387 1.395 -8.911 34 HG12 ILE 4 HG12 ILE 4 3.498 -0.808 -9.005 35 HG13 ILE 4 HG11 ILE 4 3.785 -0.426 -10.748 36 HG21 ILE 4 HG21 ILE 4 6.242 2.333 -10.151 37 HG22 ILE 4 HG22 ILE 4 5.122 1.574 -11.352 38 HG23 ILE 4 HG23 ILE 4 6.646 0.730 -10.879 39 HD11 ILE 4 HD11 ILE 4 5.031 -2.369 -10.871 40 HD12 ILE 4 HD12 ILE 4 4.942 -2.590 -9.072 41 HD13 ILE 4 HD13 ILE 4 6.269 -1.594 -9.796 42 H SER 5 HN SER 5 5.582 0.520 -5.998 43 HA SER 5 HA SER 5 5.943 3.229 -5.851 44 HB2 SER 5 HB2 SER 5 5.184 1.107 -3.902 45 HB3 SER 5 HB1 SER 5 5.243 2.870 -3.445 46 HG SER 5 HG SER 5 3.475 3.250 -4.584 47 H ARG 6 HN ARG 6 7.141 0.309 -4.863 48 HA ARG 6 HA ARG 6 8.790 1.278 -2.804 49 HB2 ARG 6 HB2 ARG 6 9.124 -0.969 -2.448 50 HB3 ARG 6 HB1 ARG 6 7.604 -1.025 -3.451 51 HG2 ARG 6 HG2 ARG 6 8.999 -1.086 -5.467 52 HG3 ARG 6 HG1 ARG 6 10.451 -1.384 -4.431 53 HD2 ARG 6 HD2 ARG 6 7.867 -2.963 -4.101 54 HD3 ARG 6 HD1 ARG 6 9.175 -3.489 -5.250 55 HE ARG 6 HE ARG 6 10.295 -2.899 -2.642 56 HH11 ARG 6 HH11 ARG 6 8.376 -5.304 -4.442 57 HH12 ARG 6 HH12 ARG 6 8.867 -6.649 -3.470 58 HH21 ARG 6 HH21 ARG 6 10.964 -4.736 -1.325 59 HH22 ARG 6 HH22 ARG 6 10.357 -6.321 -1.670 60 H ILE 7 HN ILE 7 8.633 1.204 -6.117 61 HA ILE 7 HA ILE 7 11.385 1.008 -6.566 62 HB ILE 7 HB ILE 7 8.982 1.492 -8.232 63 HG12 ILE 7 HG12 ILE 7 10.864 -0.873 -8.160 64 HG13 ILE 7 HG11 ILE 7 9.493 -0.666 -7.010 65 HG21 ILE 7 HG21 ILE 7 10.610 1.053 -10.194 66 HG22 ILE 7 HG22 ILE 7 11.953 1.319 -9.020 67 HG23 ILE 7 HG23 ILE 7 10.787 2.651 -9.376 68 HD11 ILE 7 HD11 ILE 7 8.494 -0.052 -9.644 69 HD12 ILE 7 HD12 ILE 7 8.036 -1.409 -8.549 70 HD13 ILE 7 HD13 ILE 7 9.378 -1.623 -9.751 71 H ILE 8 HN ILE 8 8.925 3.237 -6.127 72 HA ILE 8 HA ILE 8 10.421 5.405 -7.288 73 HB ILE 8 HB ILE 8 8.350 5.535 -5.150 74 HG12 ILE 8 HG12 ILE 8 7.370 4.026 -6.567 75 HG13 ILE 8 HG11 ILE 8 6.629 5.590 -7.069 76 HG21 ILE 8 HG21 ILE 8 9.813 7.524 -6.389 77 HG22 ILE 8 HG22 ILE 8 8.137 7.794 -5.770 78 HG23 ILE 8 HG23 ILE 8 8.409 7.451 -7.521 79 HD11 ILE 8 HD11 ILE 8 8.475 5.628 -8.927 80 HD12 ILE 8 HD12 ILE 8 7.157 4.388 -9.089 81 HD13 ILE 8 HD13 ILE 8 8.782 3.905 -8.458 82 H LEU 9 HN LEU 9 9.604 3.947 -4.422 83 HA LEU 9 HA LEU 9 10.892 5.476 -2.629 84 HB2 LEU 9 HB2 LEU 9 9.797 2.903 -3.075 85 HB3 LEU 9 HB1 LEU 9 11.140 2.874 -1.882 86 HG LEU 9 HG LEU 9 9.050 4.968 -1.439 87 HD11 LEU 9 HD11 LEU 9 7.625 3.092 -2.229 88 HD12 LEU 9 HD12 LEU 9 7.419 3.337 -0.455 89 HD13 LEU 9 HD13 LEU 9 8.427 1.971 -1.073 90 HD21 LEU 9 HD21 LEU 9 9.804 4.765 0.726 91 HD22 LEU 9 HD22 LEU 9 11.192 3.903 -0.061 92 HD23 LEU 9 HD23 LEU 9 9.825 2.959 0.660 93 H ASP 10 HN ASP 10 11.899 3.078 -4.787 94 HA ASP 10 HA ASP 10 14.308 2.802 -3.418 95 HB2 ASP 10 HB2 ASP 10 12.969 2.119 -5.932 96 HB3 ASP 10 HB1 ASP 10 14.747 2.229 -6.112 97 H PHE 11 HN PHE 11 12.846 4.910 -5.765 98 HA PHE 11 HA PHE 11 15.368 6.070 -6.498 99 HB2 PHE 11 HB2 PHE 11 12.501 6.656 -7.183 100 HB3 PHE 11 HB1 PHE 11 13.933 7.407 -8.044 101 HD1 PHE 11 HD1 PHE 11 11.987 5.908 -9.587 102 HD2 PHE 11 HD2 PHE 11 15.255 4.537 -7.312 103 HE1 PHE 11 HE1 PHE 11 11.986 3.783 -10.727 104 HE2 PHE 11 HE2 PHE 11 15.234 2.541 -8.270 105 HZ PHE 11 HZ PHE 11 13.641 2.026 -10.154 106 H LEU 12 HN LEU 12 13.303 6.166 -4.114 107 HA LEU 12 HA LEU 12 13.397 8.931 -3.825 108 HB2 LEU 12 HB2 LEU 12 12.260 6.599 -2.479 109 HB3 LEU 12 HB1 LEU 12 12.226 8.210 -1.642 110 HG LEU 12 HG LEU 12 11.252 7.600 -4.384 111 HD11 LEU 12 HD11 LEU 12 10.107 6.958 -1.848 112 HD12 LEU 12 HD12 LEU 12 9.446 6.656 -3.493 113 HD13 LEU 12 HD13 LEU 12 9.052 8.201 -2.633 114 HD21 LEU 12 HD21 LEU 12 11.440 9.828 -4.599 115 HD22 LEU 12 HD22 LEU 12 11.575 10.075 -2.815 116 HD23 LEU 12 HD23 LEU 12 9.945 9.909 -3.584 117 H PHE 13 HN PHE 13 14.526 5.980 -2.509 118 HA PHE 13 HA PHE 13 16.255 7.543 -0.718 119 HB2 PHE 13 HB2 PHE 13 14.917 4.912 -0.139 120 HB3 PHE 13 HB1 PHE 13 15.766 5.975 1.076 121 HD1 PHE 13 HD1 PHE 13 13.020 5.037 -0.671 122 HD2 PHE 13 HD2 PHE 13 14.559 8.214 1.563 123 HE1 PHE 13 HE1 PHE 13 10.964 5.889 -0.646 124 HE2 PHE 13 HE2 PHE 13 12.309 9.150 1.722 125 HZ PHE 13 HZ PHE 13 10.411 7.985 0.633 126 H DLE 14 HN DLE 14 15.639 4.752 -2.743 127 HA DLE 14 HA DLE 14 18.280 3.975 -2.042 128 HB2 DLE 14 HB2 DLE 14 17.712 4.694 -4.572 129 HB3 DLE 14 HB1 DLE 14 19.049 3.593 -4.084 130 HG DLE 14 HG DLE 14 16.343 2.404 -4.505 131 HD11 DLE 14 HD11 DLE 14 18.097 3.216 -6.873 132 HD12 DLE 14 HD12 DLE 14 16.718 4.216 -6.259 133 HD13 DLE 14 HD13 DLE 14 16.428 2.544 -6.878 134 HD21 DLE 14 HD21 DLE 14 17.522 0.504 -4.617 135 HD22 DLE 14 HD22 DLE 14 18.955 1.461 -4.093 136 HD23 DLE 14 HD23 DLE 14 18.660 1.170 -5.858 137 H ARG 15 HN ARG 15 15.504 3.563 -1.155 138 HA ARG 15 HA ARG 15 14.809 1.976 0.230 139 HB2 ARG 15 HB2 ARG 15 15.014 0.586 -2.433 140 HB3 ARG 15 HB1 ARG 15 14.304 -0.250 -0.999 141 HG2 ARG 15 HG2 ARG 15 13.424 2.588 -1.598 142 HG3 ARG 15 HG1 ARG 15 12.781 1.256 -2.645 143 HD2 ARG 15 HD2 ARG 15 12.776 1.032 0.424 144 HD3 ARG 15 HD1 ARG 15 11.424 1.855 -0.466 145 HE ARG 15 HE ARG 15 11.840 -0.579 -1.809 146 HH11 ARG 15 HH11 ARG 15 11.036 0.536 1.479 147 HH12 ARG 15 HH12 ARG 15 10.091 -0.853 1.895 148 HH21 ARG 15 HH21 ARG 15 10.545 -2.483 -1.236 149 HH22 ARG 15 HH22 ARG 15 9.807 -2.596 0.325 150 H LYS 16 HN LYS 16 17.373 2.576 0.056 151 HA LYS 16 HA LYS 16 18.839 0.146 0.715 152 HB2 LYS 16 HB2 LYS 16 20.873 1.328 0.031 153 HB3 LYS 16 HB1 LYS 16 19.657 1.532 -1.287 154 HG2 LYS 16 HG2 LYS 16 19.006 3.756 -0.292 155 HG3 LYS 16 HG1 LYS 16 20.330 3.581 0.910 156 HD2 LYS 16 HD2 LYS 16 21.994 3.987 -0.662 157 HD3 LYS 16 HD1 LYS 16 21.075 3.226 -2.006 158 HE2 LYS 16 HE2 LYS 16 19.649 5.223 -2.270 159 HE3 LYS 16 HE1 LYS 16 20.330 5.966 -0.762 160 HZ1 LYS 16 HZ1 LYS 16 21.215 6.473 -3.199 161 HZ2 LYS 16 HZ2 LYS 16 22.252 5.185 -2.812 162 HZ3 LYS 16 HZ3 LYS 16 22.194 6.558 -1.813 163 H LYS 17 HN LYS 17 17.051 2.538 2.042 164 HA LYS 17 HA LYS 17 18.860 2.653 4.306 165 HB2 LYS 17 HB2 LYS 17 17.092 4.984 3.416 166 HB3 LYS 17 HB1 LYS 17 18.319 4.994 4.736 167 HG2 LYS 17 HG2 LYS 17 20.084 4.457 2.943 168 HG3 LYS 17 HG1 LYS 17 18.809 4.756 1.714 169 HD2 LYS 17 HD2 LYS 17 19.692 6.800 3.851 170 HD3 LYS 17 HD1 LYS 17 20.316 6.752 2.167 171 HE2 LYS 17 HE2 LYS 17 17.967 7.121 1.303 172 HE3 LYS 17 HE1 LYS 17 17.376 7.227 3.014 173 HZ1 LYS 17 HZ1 LYS 17 19.568 8.921 2.766 174 HZ2 LYS 17 HZ2 LYS 17 17.932 9.325 2.978 175 HZ3 LYS 17 HZ3 LYS 17 18.579 9.198 1.413 Start of MODEL 3 1 H1 GLU 1 HT1 GLU 1 7.088 -7.937 -5.588 2 H2 GLU 1 HT2 GLU 1 7.005 -9.323 -4.609 3 H3 GLU 1 HT3 GLU 1 8.043 -8.048 -4.187 4 HA GLU 1 HA GLU 1 5.271 -8.414 -3.660 5 HB2 GLU 1 HB2 GLU 1 7.483 -6.544 -2.644 6 HB3 GLU 1 HB1 GLU 1 5.812 -6.524 -1.973 7 HG2 GLU 1 HG2 GLU 1 6.021 -8.875 -1.219 8 HG3 GLU 1 HG1 GLU 1 7.643 -9.019 -2.006 9 H MET 2 HN MET 2 7.293 -5.732 -5.044 10 HA MET 2 HA MET 2 4.822 -4.665 -6.192 11 HB2 MET 2 HB2 MET 2 6.580 -3.190 -4.227 12 HB3 MET 2 HB1 MET 2 6.141 -2.300 -5.742 13 HG2 MET 2 HG2 MET 2 3.896 -2.209 -5.235 14 HG3 MET 2 HG1 MET 2 3.904 -3.728 -4.276 15 HE1 MET 2 HE1 MET 2 5.621 -2.991 -1.067 16 HE2 MET 2 HE2 MET 2 5.257 -4.105 -2.431 17 HE3 MET 2 HE3 MET 2 3.937 -3.562 -1.339 18 H ARG 3 HN ARG 3 5.275 -2.894 -7.427 19 HA ARG 3 HA ARG 3 7.365 -3.465 -9.252 20 HB2 ARG 3 HB2 ARG 3 4.518 -2.714 -9.365 21 HB3 ARG 3 HB1 ARG 3 5.520 -1.679 -10.415 22 HG2 ARG 3 HG2 ARG 3 6.320 -3.416 -11.646 23 HG3 ARG 3 HG1 ARG 3 5.864 -4.651 -10.404 24 HD2 ARG 3 HD2 ARG 3 3.446 -4.267 -10.883 25 HD3 ARG 3 HD1 ARG 3 3.881 -2.973 -12.078 26 HE ARG 3 HE ARG 3 4.497 -4.659 -13.629 27 HH11 ARG 3 HH11 ARG 3 4.049 -6.020 -10.362 28 HH12 ARG 3 HH12 ARG 3 4.156 -7.671 -10.871 29 HH21 ARG 3 HH21 ARG 3 4.638 -6.904 -14.314 30 HH22 ARG 3 HH22 ARG 3 4.497 -8.182 -13.154 31 H ILE 4 HN ILE 4 6.895 -1.006 -10.450 32 HA ILE 4 HA ILE 4 8.743 0.553 -9.927 33 HB ILE 4 HB ILE 4 6.914 2.435 -10.219 34 HG12 ILE 4 HG12 ILE 4 4.904 1.553 -11.292 35 HG13 ILE 4 HG11 ILE 4 5.540 -0.121 -11.238 36 HG21 ILE 4 HG21 ILE 4 8.694 1.865 -11.852 37 HG22 ILE 4 HG22 ILE 4 7.106 1.947 -12.706 38 HG23 ILE 4 HG23 ILE 4 7.830 0.343 -12.299 39 HD11 ILE 4 HD11 ILE 4 5.216 -0.301 -8.821 40 HD12 ILE 4 HD12 ILE 4 3.738 0.539 -9.445 41 HD13 ILE 4 HD13 ILE 4 5.052 1.495 -8.666 42 H SER 5 HN SER 5 6.375 -0.024 -7.647 43 HA SER 5 HA SER 5 6.219 2.311 -6.258 44 HB2 SER 5 HB2 SER 5 6.213 -0.541 -5.392 45 HB3 SER 5 HB1 SER 5 5.705 0.822 -4.312 46 HG SER 5 HG SER 5 3.823 0.625 -5.176 47 H ARG 6 HN ARG 6 8.205 -0.398 -6.382 48 HA ARG 6 HA ARG 6 9.681 0.001 -4.042 49 HB2 ARG 6 HB2 ARG 6 10.823 -1.941 -4.835 50 HB3 ARG 6 HB1 ARG 6 9.099 -2.113 -5.385 51 HG2 ARG 6 HG2 ARG 6 9.828 -0.817 -7.470 52 HG3 ARG 6 HG1 ARG 6 11.519 -1.291 -6.995 53 HD2 ARG 6 HD2 ARG 6 9.164 -3.220 -7.252 54 HD3 ARG 6 HD1 ARG 6 10.401 -2.925 -8.561 55 HE ARG 6 HE ARG 6 11.719 -3.539 -6.050 56 HH11 ARG 6 HH11 ARG 6 9.785 -5.005 -8.660 57 HH12 ARG 6 HH12 ARG 6 10.478 -6.583 -8.498 58 HH21 ARG 6 HH21 ARG 6 12.659 -5.692 -5.828 59 HH22 ARG 6 HH22 ARG 6 12.138 -6.981 -6.859 60 H ILE 7 HN ILE 7 9.463 1.190 -7.205 61 HA ILE 7 HA ILE 7 12.187 1.892 -7.262 62 HB ILE 7 HB ILE 7 9.966 2.033 -9.215 63 HG12 ILE 7 HG12 ILE 7 12.601 0.580 -9.489 64 HG13 ILE 7 HG11 ILE 7 11.441 0.022 -8.239 65 HG21 ILE 7 HG21 ILE 7 11.327 4.033 -9.610 66 HG22 ILE 7 HG22 ILE 7 11.778 2.802 -10.854 67 HG23 ILE 7 HG23 ILE 7 12.854 3.088 -9.432 68 HD11 ILE 7 HD11 ILE 7 9.928 -0.780 -9.752 69 HD12 ILE 7 HD12 ILE 7 11.401 -0.910 -10.807 70 HD13 ILE 7 HD13 ILE 7 10.284 0.504 -10.976 71 H ILE 8 HN ILE 8 9.195 3.071 -6.513 72 HA ILE 8 HA ILE 8 10.003 5.825 -6.792 73 HB ILE 8 HB ILE 8 7.986 4.717 -4.900 74 HG12 ILE 8 HG12 ILE 8 7.371 3.597 -6.785 75 HG13 ILE 8 HG11 ILE 8 6.295 5.035 -6.840 76 HG21 ILE 8 HG21 ILE 8 7.227 6.922 -4.721 77 HG22 ILE 8 HG22 ILE 8 7.459 7.258 -6.478 78 HG23 ILE 8 HG23 ILE 8 8.870 7.317 -5.354 79 HD11 ILE 8 HD11 ILE 8 8.855 4.499 -8.467 80 HD12 ILE 8 HD12 ILE 8 8.003 6.097 -8.451 81 HD13 ILE 8 HD13 ILE 8 7.164 4.624 -9.087 82 H LEU 9 HN LEU 9 9.669 3.338 -4.652 83 HA LEU 9 HA LEU 9 10.448 4.448 -2.327 84 HB2 LEU 9 HB2 LEU 9 10.186 1.986 -3.736 85 HB3 LEU 9 HB1 LEU 9 11.414 1.920 -2.429 86 HG LEU 9 HG LEU 9 8.615 2.960 -1.869 87 HD11 LEU 9 HD11 LEU 9 9.496 0.024 -2.144 88 HD12 LEU 9 HD12 LEU 9 8.114 0.847 -2.952 89 HD13 LEU 9 HD13 LEU 9 8.055 0.525 -1.178 90 HD21 LEU 9 HD21 LEU 9 11.005 2.627 -0.423 91 HD22 LEU 9 HD22 LEU 9 9.990 1.221 0.098 92 HD23 LEU 9 HD23 LEU 9 9.359 2.904 0.279 93 H ASP 10 HN ASP 10 12.122 3.332 -5.053 94 HA ASP 10 HA ASP 10 14.494 3.408 -3.563 95 HB2 ASP 10 HB2 ASP 10 13.492 3.093 -6.281 96 HB3 ASP 10 HB1 ASP 10 15.145 3.800 -6.222 97 H PHE 11 HN PHE 11 12.413 5.576 -5.288 98 HA PHE 11 HA PHE 11 14.462 7.579 -5.415 99 HB2 PHE 11 HB2 PHE 11 11.532 7.524 -6.079 100 HB3 PHE 11 HB1 PHE 11 12.655 8.901 -6.524 101 HD1 PHE 11 HD1 PHE 11 11.245 7.540 -8.647 102 HD2 PHE 11 HD2 PHE 11 14.803 6.421 -6.652 103 HE1 PHE 11 HE1 PHE 11 11.860 6.027 -10.422 104 HE2 PHE 11 HE2 PHE 11 15.344 4.961 -8.221 105 HZ PHE 11 HZ PHE 11 13.960 4.714 -10.309 106 H LEU 12 HN LEU 12 12.578 6.249 -3.285 107 HA LEU 12 HA LEU 12 11.938 8.648 -2.016 108 HB2 LEU 12 HB2 LEU 12 11.485 5.776 -1.648 109 HB3 LEU 12 HB1 LEU 12 11.054 6.942 -0.327 110 HG LEU 12 HG LEU 12 10.216 7.104 -3.171 111 HD11 LEU 12 HD11 LEU 12 7.991 6.420 -1.470 112 HD12 LEU 12 HD12 LEU 12 9.376 5.300 -1.130 113 HD13 LEU 12 HD13 LEU 12 8.751 5.467 -2.809 114 HD21 LEU 12 HD21 LEU 12 9.940 8.848 -0.827 115 HD22 LEU 12 HD22 LEU 12 8.356 8.521 -1.643 116 HD23 LEU 12 HD23 LEU 12 9.741 9.214 -2.582 117 H PHE 13 HN PHE 13 13.874 5.789 -1.833 118 HA PHE 13 HA PHE 13 15.313 7.041 0.411 119 HB2 PHE 13 HB2 PHE 13 14.592 4.126 0.151 120 HB3 PHE 13 HB1 PHE 13 15.323 4.924 1.620 121 HD1 PHE 13 HD1 PHE 13 12.700 4.140 -0.396 122 HD2 PHE 13 HD2 PHE 13 13.721 6.427 2.939 123 HE1 PHE 13 HE1 PHE 13 10.550 4.434 -0.080 124 HE2 PHE 13 HE2 PHE 13 11.341 6.723 3.416 125 HZ PHE 13 HZ PHE 13 9.649 5.694 1.916 126 H DLE 14 HN DLE 14 15.171 4.911 -2.419 127 HA DLE 14 HA DLE 14 18.029 4.674 -2.114 128 HB2 DLE 14 HB2 DLE 14 18.236 3.921 -4.430 129 HB3 DLE 14 HB1 DLE 14 16.469 4.265 -4.633 130 HG DLE 14 HG DLE 14 16.984 6.497 -3.650 131 HD11 DLE 14 HD11 DLE 14 19.792 6.285 -4.680 132 HD12 DLE 14 HD12 DLE 14 19.396 5.349 -3.169 133 HD13 DLE 14 HD13 DLE 14 19.124 7.142 -3.232 134 HD21 DLE 14 HD21 DLE 14 17.002 5.477 -6.304 135 HD22 DLE 14 HD22 DLE 14 18.251 6.788 -6.243 136 HD23 DLE 14 HD23 DLE 14 16.540 7.123 -5.736 137 H ARG 15 HN ARG 15 15.646 3.390 -1.098 138 HA ARG 15 HA ARG 15 15.475 1.451 -0.247 139 HB2 ARG 15 HB2 ARG 15 15.619 0.817 -3.196 140 HB3 ARG 15 HB1 ARG 15 15.056 -0.400 -1.973 141 HG2 ARG 15 HG2 ARG 15 13.933 2.452 -2.034 142 HG3 ARG 15 HG1 ARG 15 13.248 1.160 -3.100 143 HD2 ARG 15 HD2 ARG 15 11.945 0.690 -1.205 144 HD3 ARG 15 HD1 ARG 15 13.439 -0.180 -0.662 145 HE ARG 15 HE ARG 15 13.491 2.652 0.052 146 HH11 ARG 15 HH11 ARG 15 12.259 -0.585 0.884 147 HH12 ARG 15 HH12 ARG 15 12.116 -0.266 2.580 148 HH21 ARG 15 HH21 ARG 15 13.296 3.088 2.365 149 HH22 ARG 15 HH22 ARG 15 12.716 1.856 3.435 150 H LYS 16 HN LYS 16 17.776 2.585 -0.367 151 HA LYS 16 HA LYS 16 19.831 0.566 -0.642 152 HB2 LYS 16 HB2 LYS 16 21.407 2.524 -0.498 153 HB3 LYS 16 HB1 LYS 16 20.257 2.652 -1.888 154 HG2 LYS 16 HG2 LYS 16 18.803 4.132 -0.624 155 HG3 LYS 16 HG1 LYS 16 19.810 3.973 0.846 156 HD2 LYS 16 HD2 LYS 16 21.628 5.203 -0.142 157 HD3 LYS 16 HD1 LYS 16 20.952 5.037 -1.800 158 HE2 LYS 16 HE2 LYS 16 19.054 6.543 -1.234 159 HE3 LYS 16 HE1 LYS 16 19.619 6.645 0.488 160 HZ1 LYS 16 HZ1 LYS 16 21.486 7.837 -0.141 161 HZ2 LYS 16 HZ2 LYS 16 20.257 8.482 -1.118 162 HZ3 LYS 16 HZ3 LYS 16 21.381 7.392 -1.776 163 H LYS 17 HN LYS 17 17.826 2.380 1.453 164 HA LYS 17 HA LYS 17 19.289 1.316 3.682 165 HB2 LYS 17 HB2 LYS 17 18.393 4.238 3.471 166 HB3 LYS 17 HB1 LYS 17 19.034 3.467 4.968 167 HG2 LYS 17 HG2 LYS 17 20.673 3.416 2.384 168 HG3 LYS 17 HG1 LYS 17 20.648 4.894 3.414 169 HD2 LYS 17 HD2 LYS 17 21.353 2.083 4.464 170 HD3 LYS 17 HD1 LYS 17 22.572 3.247 3.840 171 HE2 LYS 17 HE2 LYS 17 21.841 4.916 5.610 172 HE3 LYS 17 HE1 LYS 17 20.699 3.670 6.268 173 HZ1 LYS 17 HZ1 LYS 17 22.382 2.934 7.431 174 HZ2 LYS 17 HZ2 LYS 17 23.491 3.956 6.649 175 HZ3 LYS 17 HZ3 LYS 17 23.144 2.424 6.003 Start of MODEL 4 1 H1 GLU 1 HT1 GLU 1 9.100 -8.934 -9.752 2 H2 GLU 1 HT2 GLU 1 8.569 -7.322 -9.683 3 H3 GLU 1 HT3 GLU 1 7.493 -8.552 -10.146 4 HA GLU 1 HA GLU 1 6.854 -8.762 -8.089 5 HB2 GLU 1 HB2 GLU 1 9.820 -9.430 -7.666 6 HB3 GLU 1 HB1 GLU 1 8.585 -9.630 -6.372 7 HG2 GLU 1 HG2 GLU 1 7.341 -11.289 -7.731 8 HG3 GLU 1 HG1 GLU 1 8.457 -11.027 -9.130 9 H MET 2 HN MET 2 6.645 -6.226 -8.358 10 HA MET 2 HA MET 2 7.629 -5.121 -5.893 11 HB2 MET 2 HB2 MET 2 8.164 -2.822 -7.284 12 HB3 MET 2 HB1 MET 2 9.489 -4.043 -6.928 13 HG2 MET 2 HG2 MET 2 8.441 -5.091 -9.306 14 HG3 MET 2 HG1 MET 2 8.221 -3.335 -9.541 15 HE1 MET 2 HE1 MET 2 9.909 -5.140 -11.440 16 HE2 MET 2 HE2 MET 2 11.268 -4.009 -11.760 17 HE3 MET 2 HE3 MET 2 9.594 -3.376 -11.589 18 H ARG 3 HN ARG 3 6.960 -3.326 -5.360 19 HA ARG 3 HA ARG 3 4.632 -2.578 -6.722 20 HB2 ARG 3 HB2 ARG 3 5.360 -2.660 -3.901 21 HB3 ARG 3 HB1 ARG 3 4.557 -1.109 -4.445 22 HG2 ARG 3 HG2 ARG 3 2.705 -2.537 -4.085 23 HG3 ARG 3 HG1 ARG 3 3.061 -2.618 -5.866 24 HD2 ARG 3 HD2 ARG 3 3.970 -4.790 -5.743 25 HD3 ARG 3 HD1 ARG 3 4.227 -4.716 -3.938 26 HE ARG 3 HE ARG 3 1.420 -4.408 -4.442 27 HH11 ARG 3 HH11 ARG 3 4.043 -6.787 -4.813 28 HH12 ARG 3 HH12 ARG 3 3.020 -8.173 -4.634 29 HH21 ARG 3 HH21 ARG 3 0.027 -6.292 -4.199 30 HH22 ARG 3 HH22 ARG 3 0.698 -7.886 -4.280 31 H ILE 4 HN ILE 4 4.736 -1.158 -7.925 32 HA ILE 4 HA ILE 4 6.940 -0.063 -8.783 33 HB ILE 4 HB ILE 4 4.435 1.407 -8.958 34 HG12 ILE 4 HG12 ILE 4 3.526 -0.789 -9.079 35 HG13 ILE 4 HG11 ILE 4 3.849 -0.395 -10.814 36 HG21 ILE 4 HG21 ILE 4 6.731 0.722 -10.874 37 HG22 ILE 4 HG22 ILE 4 6.327 2.328 -10.150 38 HG23 ILE 4 HG23 ILE 4 5.227 1.585 -11.379 39 HD11 ILE 4 HD11 ILE 4 6.301 -1.599 -9.813 40 HD12 ILE 4 HD12 ILE 4 5.088 -2.341 -10.936 41 HD13 ILE 4 HD13 ILE 4 4.941 -2.593 -9.144 42 H SER 5 HN SER 5 5.577 0.528 -6.011 43 HA SER 5 HA SER 5 5.957 3.233 -5.872 44 HB2 SER 5 HB2 SER 5 5.184 1.111 -3.931 45 HB3 SER 5 HB1 SER 5 5.258 2.870 -3.461 46 HG SER 5 HG SER 5 3.512 3.283 -4.645 47 H ARG 6 HN ARG 6 7.145 0.315 -4.888 48 HA ARG 6 HA ARG 6 8.796 1.239 -2.816 49 HB2 ARG 6 HB2 ARG 6 9.109 -1.008 -2.508 50 HB3 ARG 6 HB1 ARG 6 7.585 -1.029 -3.508 51 HG2 ARG 6 HG2 ARG 6 8.956 -1.090 -5.527 52 HG3 ARG 6 HG1 ARG 6 10.425 -1.391 -4.512 53 HD2 ARG 6 HD2 ARG 6 7.820 -2.959 -4.272 54 HD3 ARG 6 HD1 ARG 6 9.245 -3.524 -5.248 55 HE ARG 6 HE ARG 6 9.086 -3.339 -2.277 56 HH11 ARG 6 HH11 ARG 6 11.035 -3.849 -5.223 57 HH12 ARG 6 HH12 ARG 6 12.346 -4.631 -4.408 58 HH21 ARG 6 HH21 ARG 6 10.879 -4.419 -1.172 59 HH22 ARG 6 HH22 ARG 6 12.256 -4.958 -2.072 60 H ILE 7 HN ILE 7 8.647 1.210 -6.137 61 HA ILE 7 HA ILE 7 11.403 1.011 -6.576 62 HB ILE 7 HB ILE 7 9.008 1.493 -8.253 63 HG12 ILE 7 HG12 ILE 7 10.903 -0.861 -8.191 64 HG13 ILE 7 HG11 ILE 7 9.542 -0.666 -7.028 65 HG21 ILE 7 HG21 ILE 7 10.815 2.667 -9.381 66 HG22 ILE 7 HG22 ILE 7 10.643 1.072 -10.209 67 HG23 ILE 7 HG23 ILE 7 11.983 1.336 -9.030 68 HD11 ILE 7 HD11 ILE 7 9.407 -1.620 -9.768 69 HD12 ILE 7 HD12 ILE 7 8.514 -0.051 -9.652 70 HD13 ILE 7 HD13 ILE 7 8.076 -1.414 -8.556 71 H ILE 8 HN ILE 8 8.942 3.235 -6.136 72 HA ILE 8 HA ILE 8 10.440 5.408 -7.286 73 HB ILE 8 HB ILE 8 8.359 5.533 -5.157 74 HG12 ILE 8 HG12 ILE 8 7.388 4.022 -6.579 75 HG13 ILE 8 HG11 ILE 8 6.644 5.584 -7.081 76 HG21 ILE 8 HG21 ILE 8 9.826 7.520 -6.412 77 HG22 ILE 8 HG22 ILE 8 8.162 7.793 -5.765 78 HG23 ILE 8 HG23 ILE 8 8.403 7.452 -7.522 79 HD11 ILE 8 HD11 ILE 8 8.805 3.907 -8.467 80 HD12 ILE 8 HD12 ILE 8 8.489 5.629 -8.936 81 HD13 ILE 8 HD13 ILE 8 7.180 4.382 -9.100 82 H LEU 9 HN LEU 9 9.612 3.938 -4.429 83 HA LEU 9 HA LEU 9 10.890 5.462 -2.623 84 HB2 LEU 9 HB2 LEU 9 9.806 2.885 -3.090 85 HB3 LEU 9 HB1 LEU 9 11.141 2.857 -1.886 86 HG LEU 9 HG LEU 9 9.023 4.931 -1.460 87 HD11 LEU 9 HD11 LEU 9 7.422 3.274 -0.465 88 HD12 LEU 9 HD12 LEU 9 8.459 1.923 -1.070 89 HD13 LEU 9 HD13 LEU 9 7.636 3.020 -2.236 90 HD21 LEU 9 HD21 LEU 9 11.182 3.906 -0.068 91 HD22 LEU 9 HD22 LEU 9 9.820 2.957 0.662 92 HD23 LEU 9 HD23 LEU 9 9.785 4.764 0.705 93 H ASP 10 HN ASP 10 11.909 3.075 -4.788 94 HA ASP 10 HA ASP 10 14.317 2.803 -3.415 95 HB2 ASP 10 HB2 ASP 10 12.987 2.124 -5.934 96 HB3 ASP 10 HB1 ASP 10 14.764 2.240 -6.108 97 H PHE 11 HN PHE 11 12.854 4.913 -5.758 98 HA PHE 11 HA PHE 11 15.376 6.084 -6.481 99 HB2 PHE 11 HB2 PHE 11 12.507 6.664 -7.170 100 HB3 PHE 11 HB1 PHE 11 13.939 7.423 -8.024 101 HD1 PHE 11 HD1 PHE 11 12.005 5.926 -9.581 102 HD2 PHE 11 HD2 PHE 11 15.267 4.551 -7.301 103 HE1 PHE 11 HE1 PHE 11 12.013 3.807 -10.731 104 HE2 PHE 11 HE2 PHE 11 15.253 2.560 -8.268 105 HZ PHE 11 HZ PHE 11 13.669 2.051 -10.159 106 H LEU 12 HN LEU 12 13.303 6.165 -4.102 107 HA LEU 12 HA LEU 12 13.391 8.928 -3.803 108 HB2 LEU 12 HB2 LEU 12 12.254 6.590 -2.470 109 HB3 LEU 12 HB1 LEU 12 12.215 8.197 -1.627 110 HG LEU 12 HG LEU 12 11.253 7.600 -4.375 111 HD11 LEU 12 HD11 LEU 12 9.042 8.182 -2.634 112 HD12 LEU 12 HD12 LEU 12 10.100 6.942 -1.846 113 HD13 LEU 12 HD13 LEU 12 9.447 6.642 -3.494 114 HD21 LEU 12 HD21 LEU 12 11.422 9.829 -4.580 115 HD22 LEU 12 HD22 LEU 12 11.574 10.064 -2.796 116 HD23 LEU 12 HD23 LEU 12 9.937 9.901 -3.553 117 H PHE 13 HN PHE 13 14.526 5.976 -2.494 118 HA PHE 13 HA PHE 13 16.246 7.539 -0.694 119 HB2 PHE 13 HB2 PHE 13 14.912 4.903 -0.128 120 HB3 PHE 13 HB1 PHE 13 15.759 5.961 1.093 121 HD1 PHE 13 HD1 PHE 13 13.018 5.034 -0.666 122 HD2 PHE 13 HD2 PHE 13 14.548 8.194 1.596 123 HE1 PHE 13 HE1 PHE 13 10.962 5.883 -0.641 124 HE2 PHE 13 HE2 PHE 13 12.298 9.127 1.756 125 HZ PHE 13 HZ PHE 13 10.403 7.969 0.652 126 H DLE 14 HN DLE 14 15.643 4.757 -2.733 127 HA DLE 14 HA DLE 14 18.285 3.984 -2.031 128 HB2 DLE 14 HB2 DLE 14 17.718 4.709 -4.559 129 HB3 DLE 14 HB1 DLE 14 19.059 3.613 -4.073 130 HG DLE 14 HG DLE 14 16.357 2.415 -4.500 131 HD11 DLE 14 HD11 DLE 14 18.113 3.241 -6.862 132 HD12 DLE 14 HD12 DLE 14 16.728 4.232 -6.247 133 HD13 DLE 14 HD13 DLE 14 16.446 2.562 -6.874 134 HD21 DLE 14 HD21 DLE 14 18.682 1.195 -5.853 135 HD22 DLE 14 HD22 DLE 14 17.543 0.519 -4.616 136 HD23 DLE 14 HD23 DLE 14 18.972 1.478 -4.087 137 H ARG 15 HN ARG 15 15.510 3.561 -1.149 138 HA ARG 15 HA ARG 15 14.823 1.968 0.234 139 HB2 ARG 15 HB2 ARG 15 15.028 0.583 -2.431 140 HB3 ARG 15 HB1 ARG 15 14.314 -0.253 -0.999 141 HG2 ARG 15 HG2 ARG 15 13.443 2.589 -1.598 142 HG3 ARG 15 HG1 ARG 15 12.794 1.257 -2.642 143 HD2 ARG 15 HD2 ARG 15 12.799 0.988 0.416 144 HD3 ARG 15 HD1 ARG 15 11.472 1.891 -0.430 145 HE ARG 15 HE ARG 15 11.768 -0.517 -1.849 146 HH11 ARG 15 HH11 ARG 15 11.068 0.530 1.487 147 HH12 ARG 15 HH12 ARG 15 10.060 -0.825 1.873 148 HH21 ARG 15 HH21 ARG 15 10.388 -2.370 -1.320 149 HH22 ARG 15 HH22 ARG 15 9.668 -2.500 0.252 150 H LYS 16 HN LYS 16 17.384 2.575 0.055 151 HA LYS 16 HA LYS 16 18.859 0.153 0.728 152 HB2 LYS 16 HB2 LYS 16 20.887 1.337 0.031 153 HB3 LYS 16 HB1 LYS 16 19.668 1.536 -1.286 154 HG2 LYS 16 HG2 LYS 16 19.012 3.760 -0.289 155 HG3 LYS 16 HG1 LYS 16 20.346 3.595 0.903 156 HD2 LYS 16 HD2 LYS 16 21.999 3.991 -0.687 157 HD3 LYS 16 HD1 LYS 16 21.060 3.243 -2.024 158 HE2 LYS 16 HE2 LYS 16 19.639 5.246 -2.259 159 HE3 LYS 16 HE1 LYS 16 20.341 5.977 -0.755 160 HZ1 LYS 16 HZ1 LYS 16 21.199 6.533 -3.171 161 HZ2 LYS 16 HZ2 LYS 16 22.207 5.200 -2.871 162 HZ3 LYS 16 HZ3 LYS 16 22.223 6.531 -1.817 163 H LYS 17 HN LYS 17 17.039 2.495 2.049 164 HA LYS 17 HA LYS 17 18.890 2.757 4.275 165 HB2 LYS 17 HB2 LYS 17 16.918 4.921 3.391 166 HB3 LYS 17 HB1 LYS 17 18.185 5.059 4.663 167 HG2 LYS 17 HG2 LYS 17 19.959 4.773 2.929 168 HG3 LYS 17 HG1 LYS 17 18.695 4.624 1.661 169 HD2 LYS 17 HD2 LYS 17 19.495 6.895 1.565 170 HD3 LYS 17 HD1 LYS 17 17.871 6.959 2.333 171 HE2 LYS 17 HE2 LYS 17 18.908 7.174 4.590 172 HE3 LYS 17 HE1 LYS 17 20.562 7.009 3.864 173 HZ1 LYS 17 HZ1 LYS 17 19.193 9.008 2.480 174 HZ2 LYS 17 HZ2 LYS 17 20.534 9.151 3.512 175 HZ3 LYS 17 HZ3 LYS 17 18.960 9.293 4.137 Start of MODEL 5 1 H1 GLU 1 HT1 GLU 1 6.451 -7.230 -1.594 2 H2 GLU 1 HT2 GLU 1 7.055 -6.066 -2.673 3 H3 GLU 1 HT3 GLU 1 7.741 -7.620 -2.628 4 HA GLU 1 HA GLU 1 6.422 -8.172 -4.262 5 HB2 GLU 1 HB2 GLU 1 4.322 -7.700 -2.073 6 HB3 GLU 1 HB1 GLU 1 3.922 -8.467 -3.651 7 HG2 GLU 1 HG2 GLU 1 5.468 -10.348 -3.202 8 HG3 GLU 1 HG1 GLU 1 6.045 -9.557 -1.682 9 H MET 2 HN MET 2 7.122 -5.940 -5.231 10 HA MET 2 HA MET 2 4.721 -4.759 -6.275 11 HB2 MET 2 HB2 MET 2 5.379 -2.382 -5.837 12 HB3 MET 2 HB1 MET 2 4.911 -3.245 -4.311 13 HG2 MET 2 HG2 MET 2 7.807 -3.411 -5.060 14 HG3 MET 2 HG1 MET 2 7.213 -1.767 -4.710 15 HE1 MET 2 HE1 MET 2 6.333 -0.881 -2.769 16 HE2 MET 2 HE2 MET 2 6.181 -1.609 -1.134 17 HE3 MET 2 HE3 MET 2 5.009 -2.047 -2.424 18 H ARG 3 HN ARG 3 5.237 -2.955 -7.478 19 HA ARG 3 HA ARG 3 7.378 -3.528 -9.237 20 HB2 ARG 3 HB2 ARG 3 4.540 -2.776 -9.425 21 HB3 ARG 3 HB1 ARG 3 5.565 -1.735 -10.443 22 HG2 ARG 3 HG2 ARG 3 6.439 -3.488 -11.630 23 HG3 ARG 3 HG1 ARG 3 5.860 -4.718 -10.433 24 HD2 ARG 3 HD2 ARG 3 3.469 -4.095 -11.039 25 HD3 ARG 3 HD1 ARG 3 4.132 -3.003 -12.333 26 HE ARG 3 HE ARG 3 5.318 -5.563 -12.729 27 HH11 ARG 3 HH11 ARG 3 2.096 -4.044 -12.697 28 HH12 ARG 3 HH12 ARG 3 1.401 -5.132 -13.852 29 HH21 ARG 3 HH21 ARG 3 4.374 -7.044 -14.300 30 HH22 ARG 3 HH22 ARG 3 2.719 -6.867 -14.778 31 H ILE 4 HN ILE 4 6.915 -1.075 -10.443 32 HA ILE 4 HA ILE 4 8.756 0.494 -9.953 33 HB ILE 4 HB ILE 4 6.932 2.369 -10.249 34 HG12 ILE 4 HG12 ILE 4 4.875 1.506 -11.211 35 HG13 ILE 4 HG11 ILE 4 5.496 -0.173 -11.217 36 HG21 ILE 4 HG21 ILE 4 7.786 0.219 -12.294 37 HG22 ILE 4 HG22 ILE 4 8.653 1.760 -11.919 38 HG23 ILE 4 HG23 ILE 4 7.042 1.805 -12.731 39 HD11 ILE 4 HD11 ILE 4 5.043 1.429 -8.613 40 HD12 ILE 4 HD12 ILE 4 5.309 -0.356 -8.744 41 HD13 ILE 4 HD13 ILE 4 3.773 0.387 -9.352 42 H SER 5 HN SER 5 6.430 -0.076 -7.657 43 HA SER 5 HA SER 5 6.264 2.259 -6.282 44 HB2 SER 5 HB2 SER 5 6.204 -0.603 -5.515 45 HB3 SER 5 HB1 SER 5 5.789 0.709 -4.337 46 HG SER 5 HG SER 5 3.944 1.015 -5.335 47 H ARG 6 HN ARG 6 8.275 -0.434 -6.426 48 HA ARG 6 HA ARG 6 9.779 -0.031 -4.103 49 HB2 ARG 6 HB2 ARG 6 10.957 -1.938 -4.942 50 HB3 ARG 6 HB1 ARG 6 9.226 -2.141 -5.437 51 HG2 ARG 6 HG2 ARG 6 9.864 -0.827 -7.543 52 HG3 ARG 6 HG1 ARG 6 11.574 -1.288 -7.121 53 HD2 ARG 6 HD2 ARG 6 9.221 -3.233 -7.325 54 HD3 ARG 6 HD1 ARG 6 10.439 -2.937 -8.651 55 HE ARG 6 HE ARG 6 11.808 -3.539 -6.172 56 HH11 ARG 6 HH11 ARG 6 9.785 -5.026 -8.700 57 HH12 ARG 6 HH12 ARG 6 10.462 -6.610 -8.530 58 HH21 ARG 6 HH21 ARG 6 12.728 -5.698 -5.938 59 HH22 ARG 6 HH22 ARG 6 12.164 -6.999 -6.931 60 H ILE 7 HN ILE 7 9.504 1.176 -7.255 61 HA ILE 7 HA ILE 7 12.216 1.916 -7.341 62 HB ILE 7 HB ILE 7 9.971 2.041 -9.268 63 HG12 ILE 7 HG12 ILE 7 12.626 0.631 -9.574 64 HG13 ILE 7 HG11 ILE 7 11.480 0.045 -8.323 65 HG21 ILE 7 HG21 ILE 7 11.302 4.067 -9.658 66 HG22 ILE 7 HG22 ILE 7 11.752 2.855 -10.920 67 HG23 ILE 7 HG23 ILE 7 12.843 3.138 -9.509 68 HD11 ILE 7 HD11 ILE 7 9.990 -0.787 -9.832 69 HD12 ILE 7 HD12 ILE 7 11.446 -0.842 -10.918 70 HD13 ILE 7 HD13 ILE 7 10.279 0.537 -11.031 71 H ILE 8 HN ILE 8 9.226 3.040 -6.524 72 HA ILE 8 HA ILE 8 10.013 5.803 -6.787 73 HB ILE 8 HB ILE 8 8.001 4.674 -4.901 74 HG12 ILE 8 HG12 ILE 8 7.402 3.554 -6.794 75 HG13 ILE 8 HG11 ILE 8 6.308 4.979 -6.835 76 HG21 ILE 8 HG21 ILE 8 7.493 7.222 -6.483 77 HG22 ILE 8 HG22 ILE 8 8.874 7.272 -5.320 78 HG23 ILE 8 HG23 ILE 8 7.213 6.874 -4.734 79 HD11 ILE 8 HD11 ILE 8 8.861 4.472 -8.477 80 HD12 ILE 8 HD12 ILE 8 8.014 6.072 -8.437 81 HD13 ILE 8 HD13 ILE 8 7.168 4.610 -9.086 82 H LEU 9 HN LEU 9 9.695 3.286 -4.661 83 HA LEU 9 HA LEU 9 10.483 4.384 -2.335 84 HB2 LEU 9 HB2 LEU 9 10.248 1.929 -3.753 85 HB3 LEU 9 HB1 LEU 9 11.510 1.876 -2.474 86 HG LEU 9 HG LEU 9 8.760 2.899 -1.747 87 HD11 LEU 9 HD11 LEU 9 8.037 0.491 -1.287 88 HD12 LEU 9 HD12 LEU 9 9.465 -0.061 -2.244 89 HD13 LEU 9 HD13 LEU 9 8.166 0.897 -3.037 90 HD21 LEU 9 HD21 LEU 9 11.159 2.388 -0.433 91 HD22 LEU 9 HD22 LEU 9 10.197 0.900 -0.058 92 HD23 LEU 9 HD23 LEU 9 9.542 2.529 0.369 93 H ASP 10 HN ASP 10 12.150 3.287 -5.065 94 HA ASP 10 HA ASP 10 14.559 3.329 -3.658 95 HB2 ASP 10 HB2 ASP 10 13.447 3.201 -6.365 96 HB3 ASP 10 HB1 ASP 10 15.110 3.861 -6.320 97 H PHE 11 HN PHE 11 12.457 5.561 -5.277 98 HA PHE 11 HA PHE 11 14.487 7.587 -5.368 99 HB2 PHE 11 HB2 PHE 11 11.558 7.500 -6.054 100 HB3 PHE 11 HB1 PHE 11 12.663 8.893 -6.484 101 HD1 PHE 11 HD1 PHE 11 11.254 7.561 -8.621 102 HD2 PHE 11 HD2 PHE 11 14.803 6.441 -6.652 103 HE1 PHE 11 HE1 PHE 11 11.871 6.072 -10.418 104 HE2 PHE 11 HE2 PHE 11 15.362 4.997 -8.230 105 HZ PHE 11 HZ PHE 11 13.977 4.764 -10.322 106 H LEU 12 HN LEU 12 12.562 6.230 -3.275 107 HA LEU 12 HA LEU 12 11.823 8.614 -2.047 108 HB2 LEU 12 HB2 LEU 12 11.466 5.735 -1.675 109 HB3 LEU 12 HB1 LEU 12 10.972 6.872 -0.349 110 HG LEU 12 HG LEU 12 10.166 7.005 -3.207 111 HD11 LEU 12 HD11 LEU 12 8.746 5.327 -2.848 112 HD12 LEU 12 HD12 LEU 12 7.935 6.278 -1.537 113 HD13 LEU 12 HD13 LEU 12 9.340 5.201 -1.156 114 HD21 LEU 12 HD21 LEU 12 8.243 8.393 -1.763 115 HD22 LEU 12 HD22 LEU 12 9.658 9.114 -2.632 116 HD23 LEU 12 HD23 LEU 12 9.774 8.750 -0.867 117 H PHE 13 HN PHE 13 13.836 5.859 -1.750 118 HA PHE 13 HA PHE 13 15.089 7.128 0.586 119 HB2 PHE 13 HB2 PHE 13 14.597 4.196 0.122 120 HB3 PHE 13 HB1 PHE 13 15.188 4.948 1.677 121 HD1 PHE 13 HD1 PHE 13 12.725 4.030 -0.458 122 HD2 PHE 13 HD2 PHE 13 13.425 6.372 2.923 123 HE1 PHE 13 HE1 PHE 13 10.531 4.194 -0.252 124 HE2 PHE 13 HE2 PHE 13 11.011 6.512 3.281 125 HZ PHE 13 HZ PHE 13 9.465 5.389 1.698 126 H DLE 14 HN DLE 14 15.247 5.086 -2.267 127 HA DLE 14 HA DLE 14 18.025 4.946 -1.698 128 HB2 DLE 14 HB2 DLE 14 17.201 6.363 -3.830 129 HB3 DLE 14 HB1 DLE 14 18.816 5.592 -3.667 130 HG DLE 14 HG DLE 14 16.581 3.929 -4.727 131 HD11 DLE 14 HD11 DLE 14 16.547 4.978 -6.863 132 HD12 DLE 14 HD12 DLE 14 17.937 6.046 -6.465 133 HD13 DLE 14 HD13 DLE 14 16.339 6.294 -5.648 134 HD21 DLE 14 HD21 DLE 14 18.266 2.649 -5.465 135 HD22 DLE 14 HD22 DLE 14 19.352 3.677 -4.462 136 HD23 DLE 14 HD23 DLE 14 19.131 4.045 -6.224 137 H ARG 15 HN ARG 15 15.581 3.436 -1.178 138 HA ARG 15 HA ARG 15 15.563 1.332 -0.463 139 HB2 ARG 15 HB2 ARG 15 15.743 1.031 -3.456 140 HB3 ARG 15 HB1 ARG 15 15.308 -0.336 -2.360 141 HG2 ARG 15 HG2 ARG 15 13.924 2.388 -2.196 142 HG3 ARG 15 HG1 ARG 15 13.336 1.097 -3.316 143 HD2 ARG 15 HD2 ARG 15 12.101 0.480 -1.417 144 HD3 ARG 15 HD1 ARG 15 13.656 -0.340 -0.958 145 HE ARG 15 HE ARG 15 13.560 2.458 -0.100 146 HH11 ARG 15 HH11 ARG 15 12.590 -0.896 0.608 147 HH12 ARG 15 HH12 ARG 15 12.474 -0.665 2.321 148 HH21 ARG 15 HH21 ARG 15 13.398 2.774 2.232 149 HH22 ARG 15 HH22 ARG 15 12.942 1.456 3.258 150 H LYS 16 HN LYS 16 17.742 2.588 -0.340 151 HA LYS 16 HA LYS 16 19.899 0.657 -0.695 152 HB2 LYS 16 HB2 LYS 16 21.437 2.564 -0.775 153 HB3 LYS 16 HB1 LYS 16 20.098 2.897 -1.937 154 HG2 LYS 16 HG2 LYS 16 18.931 4.255 -0.167 155 HG3 LYS 16 HG1 LYS 16 20.338 4.008 0.925 156 HD2 LYS 16 HD2 LYS 16 21.693 5.473 -0.261 157 HD3 LYS 16 HD1 LYS 16 20.943 5.071 -1.845 158 HE2 LYS 16 HE2 LYS 16 19.001 6.510 -1.393 159 HE3 LYS 16 HE1 LYS 16 19.503 6.738 0.334 160 HZ1 LYS 16 HZ1 LYS 16 21.410 7.464 -1.777 161 HZ2 LYS 16 HZ2 LYS 16 21.136 8.160 -0.252 162 HZ3 LYS 16 HZ3 LYS 16 20.061 8.465 -1.530 163 H LYS 17 HN LYS 17 17.634 1.640 1.430 164 HA LYS 17 HA LYS 17 19.547 1.429 3.603 165 HB2 LYS 17 HB2 LYS 17 17.075 3.228 3.667 166 HB3 LYS 17 HB1 LYS 17 18.364 3.111 4.921 167 HG2 LYS 17 HG2 LYS 17 20.026 3.918 3.144 168 HG3 LYS 17 HG1 LYS 17 18.620 4.225 2.069 169 HD2 LYS 17 HD2 LYS 17 18.979 5.471 4.870 170 HD3 LYS 17 HD1 LYS 17 19.453 6.272 3.332 171 HE2 LYS 17 HE2 LYS 17 17.049 6.157 2.551 172 HE3 LYS 17 HE1 LYS 17 16.591 5.410 4.139 173 HZ1 LYS 17 HZ1 LYS 17 16.393 7.446 4.878 174 HZ2 LYS 17 HZ2 LYS 17 17.055 8.127 3.470 175 HZ3 LYS 17 HZ3 LYS 17 18.073 7.650 4.743 Start of MODEL 6 1 H1 GLU 1 HT1 GLU 1 6.622 -9.438 -4.502 2 H2 GLU 1 HT2 GLU 1 7.968 -8.408 -4.595 3 H3 GLU 1 HT3 GLU 1 6.654 -8.186 -5.648 4 HA GLU 1 HA GLU 1 5.560 -8.109 -3.156 5 HB2 GLU 1 HB2 GLU 1 8.213 -6.577 -3.335 6 HB3 GLU 1 HB1 GLU 1 6.924 -6.142 -2.156 7 HG2 GLU 1 HG2 GLU 1 7.090 -8.350 -1.057 8 HG3 GLU 1 HG1 GLU 1 8.255 -8.930 -2.312 9 H MET 2 HN MET 2 7.416 -5.721 -5.196 10 HA MET 2 HA MET 2 4.873 -4.657 -6.128 11 HB2 MET 2 HB2 MET 2 6.677 -3.160 -4.232 12 HB3 MET 2 HB1 MET 2 6.211 -2.272 -5.740 13 HG2 MET 2 HG2 MET 2 3.970 -2.187 -5.196 14 HG3 MET 2 HG1 MET 2 4.004 -3.694 -4.218 15 HE1 MET 2 HE1 MET 2 2.385 -1.182 -3.499 16 HE2 MET 2 HE2 MET 2 2.665 -1.058 -1.729 17 HE3 MET 2 HE3 MET 2 2.455 -2.671 -2.494 18 H ARG 3 HN ARG 3 5.253 -2.860 -7.382 19 HA ARG 3 HA ARG 3 7.257 -3.417 -9.305 20 HB2 ARG 3 HB2 ARG 3 4.408 -2.666 -9.272 21 HB3 ARG 3 HB1 ARG 3 5.358 -1.622 -10.362 22 HG2 ARG 3 HG2 ARG 3 6.137 -3.376 -11.615 23 HG3 ARG 3 HG1 ARG 3 5.646 -4.608 -10.381 24 HD2 ARG 3 HD2 ARG 3 3.210 -3.930 -10.807 25 HD3 ARG 3 HD1 ARG 3 3.807 -2.910 -12.187 26 HE ARG 3 HE ARG 3 4.889 -5.539 -12.523 27 HH11 ARG 3 HH11 ARG 3 1.757 -3.845 -12.456 28 HH12 ARG 3 HH12 ARG 3 0.968 -4.935 -13.545 29 HH21 ARG 3 HH21 ARG 3 3.815 -7.025 -14.003 30 HH22 ARG 3 HH22 ARG 3 2.159 -6.775 -14.439 31 H ILE 4 HN ILE 4 6.754 -0.955 -10.465 32 HA ILE 4 HA ILE 4 8.621 0.601 -9.994 33 HB ILE 4 HB ILE 4 6.780 2.483 -10.221 34 HG12 ILE 4 HG12 ILE 4 4.741 1.598 -11.239 35 HG13 ILE 4 HG11 ILE 4 5.383 -0.074 -11.207 36 HG21 ILE 4 HG21 ILE 4 8.518 1.909 -11.908 37 HG22 ILE 4 HG22 ILE 4 6.907 2.023 -12.710 38 HG23 ILE 4 HG23 ILE 4 7.619 0.404 -12.347 39 HD11 ILE 4 HD11 ILE 4 5.134 -0.259 -8.780 40 HD12 ILE 4 HD12 ILE 4 3.633 0.574 -9.362 41 HD13 ILE 4 HD13 ILE 4 4.964 1.536 -8.619 42 H SER 5 HN SER 5 6.315 0.016 -7.651 43 HA SER 5 HA SER 5 6.197 2.344 -6.247 44 HB2 SER 5 HB2 SER 5 6.190 -0.516 -5.409 45 HB3 SER 5 HB1 SER 5 5.718 0.838 -4.301 46 HG SER 5 HG SER 5 3.847 0.920 -5.230 47 H ARG 6 HN ARG 6 8.171 -0.373 -6.428 48 HA ARG 6 HA ARG 6 9.695 -0.005 -4.113 49 HB2 ARG 6 HB2 ARG 6 10.818 -1.936 -4.955 50 HB3 ARG 6 HB1 ARG 6 9.085 -2.099 -5.475 51 HG2 ARG 6 HG2 ARG 6 9.778 -0.778 -7.557 52 HG3 ARG 6 HG1 ARG 6 11.479 -1.258 -7.117 53 HD2 ARG 6 HD2 ARG 6 9.122 -3.186 -7.351 54 HD3 ARG 6 HD1 ARG 6 10.325 -2.871 -8.685 55 HE ARG 6 HE ARG 6 11.694 -3.519 -6.204 56 HH11 ARG 6 HH11 ARG 6 9.748 -4.937 -8.831 57 HH12 ARG 6 HH12 ARG 6 10.461 -6.512 -8.721 58 HH21 ARG 6 HH21 ARG 6 12.665 -5.664 -6.053 59 HH22 ARG 6 HH22 ARG 6 12.147 -6.932 -7.113 60 H ILE 7 HN ILE 7 9.420 1.226 -7.255 61 HA ILE 7 HA ILE 7 12.141 1.920 -7.359 62 HB ILE 7 HB ILE 7 9.882 2.097 -9.265 63 HG12 ILE 7 HG12 ILE 7 12.507 0.643 -9.615 64 HG13 ILE 7 HG11 ILE 7 11.376 0.071 -8.343 65 HG21 ILE 7 HG21 ILE 7 11.243 4.100 -9.657 66 HG22 ILE 7 HG22 ILE 7 11.668 2.887 -10.926 67 HG23 ILE 7 HG23 ILE 7 12.770 3.148 -9.520 68 HD11 ILE 7 HD11 ILE 7 11.269 -0.828 -10.920 69 HD12 ILE 7 HD12 ILE 7 10.154 0.592 -11.044 70 HD13 ILE 7 HD13 ILE 7 9.827 -0.712 -9.828 71 H ILE 8 HN ILE 8 9.172 3.092 -6.523 72 HA ILE 8 HA ILE 8 9.994 5.846 -6.771 73 HB ILE 8 HB ILE 8 7.987 4.726 -4.877 74 HG12 ILE 8 HG12 ILE 8 7.352 3.629 -6.772 75 HG13 ILE 8 HG11 ILE 8 6.278 5.069 -6.792 76 HG21 ILE 8 HG21 ILE 8 7.215 6.933 -4.691 77 HG22 ILE 8 HG22 ILE 8 7.498 7.295 -6.437 78 HG23 ILE 8 HG23 ILE 8 8.880 7.317 -5.273 79 HD11 ILE 8 HD11 ILE 8 7.111 4.698 -9.054 80 HD12 ILE 8 HD12 ILE 8 8.811 4.544 -8.462 81 HD13 ILE 8 HD13 ILE 8 7.975 6.150 -8.406 82 H LEU 9 HN LEU 9 9.659 3.324 -4.668 83 HA LEU 9 HA LEU 9 10.473 4.390 -2.331 84 HB2 LEU 9 HB2 LEU 9 10.164 1.955 -3.766 85 HB3 LEU 9 HB1 LEU 9 11.433 1.858 -2.504 86 HG LEU 9 HG LEU 9 8.697 2.934 -1.778 87 HD11 LEU 9 HD11 LEU 9 8.099 0.908 -3.015 88 HD12 LEU 9 HD12 LEU 9 7.990 0.525 -1.257 89 HD13 LEU 9 HD13 LEU 9 9.413 -0.030 -2.222 90 HD21 LEU 9 HD21 LEU 9 11.112 2.436 -0.449 91 HD22 LEU 9 HD22 LEU 9 10.108 0.991 -0.017 92 HD23 LEU 9 HD23 LEU 9 9.495 2.651 0.343 93 H ASP 10 HN ASP 10 12.098 3.300 -5.093 94 HA ASP 10 HA ASP 10 14.491 3.285 -3.647 95 HB2 ASP 10 HB2 ASP 10 13.448 3.148 -6.378 96 HB3 ASP 10 HB1 ASP 10 15.127 3.781 -6.280 97 H PHE 11 HN PHE 11 12.432 5.541 -5.322 98 HA PHE 11 HA PHE 11 14.497 7.526 -5.406 99 HB2 PHE 11 HB2 PHE 11 11.566 7.509 -6.055 100 HB3 PHE 11 HB1 PHE 11 12.700 8.884 -6.481 101 HD1 PHE 11 HD1 PHE 11 11.259 7.571 -8.615 102 HD2 PHE 11 HD2 PHE 11 14.826 6.395 -6.670 103 HE1 PHE 11 HE1 PHE 11 11.849 6.085 -10.420 104 HE2 PHE 11 HE2 PHE 11 15.345 4.959 -8.271 105 HZ PHE 11 HZ PHE 11 13.940 4.756 -10.349 106 H LEU 12 HN LEU 12 12.603 6.187 -3.285 107 HA LEU 12 HA LEU 12 11.979 8.577 -1.992 108 HB2 LEU 12 HB2 LEU 12 11.512 5.704 -1.667 109 HB3 LEU 12 HB1 LEU 12 11.092 6.849 -0.321 110 HG LEU 12 HG LEU 12 10.249 7.069 -3.160 111 HD11 LEU 12 HD11 LEU 12 9.379 5.256 -1.131 112 HD12 LEU 12 HD12 LEU 12 8.786 5.428 -2.820 113 HD13 LEU 12 HD13 LEU 12 8.011 6.385 -1.491 114 HD21 LEU 12 HD21 LEU 12 9.991 8.778 -0.788 115 HD22 LEU 12 HD22 LEU 12 8.407 8.481 -1.611 116 HD23 LEU 12 HD23 LEU 12 9.799 9.174 -2.536 117 H PHE 13 HN PHE 13 13.893 5.705 -1.816 118 HA PHE 13 HA PHE 13 15.306 6.926 0.464 119 HB2 PHE 13 HB2 PHE 13 14.604 4.011 0.145 120 HB3 PHE 13 HB1 PHE 13 15.286 4.798 1.642 121 HD1 PHE 13 HD1 PHE 13 12.717 3.976 -0.428 122 HD2 PHE 13 HD2 PHE 13 13.648 6.312 2.902 123 HE1 PHE 13 HE1 PHE 13 10.547 4.276 -0.163 124 HE2 PHE 13 HE2 PHE 13 11.260 6.603 3.322 125 HZ PHE 13 HZ PHE 13 9.605 5.553 1.799 126 H DLE 14 HN DLE 14 15.210 4.897 -2.428 127 HA DLE 14 HA DLE 14 18.062 4.651 -2.115 128 HB2 DLE 14 HB2 DLE 14 18.274 3.902 -4.421 129 HB3 DLE 14 HB1 DLE 14 16.493 4.190 -4.618 130 HG DLE 14 HG DLE 14 16.941 6.457 -3.691 131 HD11 DLE 14 HD11 DLE 14 19.397 5.375 -3.190 132 HD12 DLE 14 HD12 DLE 14 19.048 7.156 -3.233 133 HD13 DLE 14 HD13 DLE 14 19.758 6.343 -4.685 134 HD21 DLE 14 HD21 DLE 14 16.773 5.444 -6.238 135 HD22 DLE 14 HD22 DLE 14 18.267 6.465 -6.351 136 HD23 DLE 14 HD23 DLE 14 16.698 7.192 -5.803 137 H ARG 15 HN ARG 15 15.634 3.354 -1.158 138 HA ARG 15 HA ARG 15 15.387 1.399 -0.351 139 HB2 ARG 15 HB2 ARG 15 15.793 0.828 -3.286 140 HB3 ARG 15 HB1 ARG 15 15.226 -0.460 -2.145 141 HG2 ARG 15 HG2 ARG 15 13.886 2.253 -1.988 142 HG3 ARG 15 HG1 ARG 15 13.505 1.216 -3.428 143 HD2 ARG 15 HD2 ARG 15 13.553 -0.061 -0.647 144 HD3 ARG 15 HD1 ARG 15 12.109 0.916 -1.143 145 HE ARG 15 HE ARG 15 12.640 -0.748 -3.335 146 HH11 ARG 15 HH11 ARG 15 11.965 -1.128 0.145 147 HH12 ARG 15 HH12 ARG 15 11.202 -2.675 -0.007 148 HH21 ARG 15 HH21 ARG 15 11.602 -2.871 -3.540 149 HH22 ARG 15 HH22 ARG 15 10.993 -3.682 -2.136 150 H LYS 16 HN LYS 16 17.768 2.590 -0.375 151 HA LYS 16 HA LYS 16 19.809 0.552 -0.525 152 HB2 LYS 16 HB2 LYS 16 21.394 2.501 -0.369 153 HB3 LYS 16 HB1 LYS 16 20.294 2.600 -1.802 154 HG2 LYS 16 HG2 LYS 16 18.795 4.097 -0.610 155 HG3 LYS 16 HG1 LYS 16 19.775 3.994 0.882 156 HD2 LYS 16 HD2 LYS 16 21.615 5.187 -0.138 157 HD3 LYS 16 HD1 LYS 16 20.924 4.998 -1.788 158 HE2 LYS 16 HE2 LYS 16 19.022 6.506 -1.212 159 HE3 LYS 16 HE1 LYS 16 19.627 6.646 0.492 160 HZ1 LYS 16 HZ1 LYS 16 21.277 7.377 -1.867 161 HZ2 LYS 16 HZ2 LYS 16 21.522 7.778 -0.236 162 HZ3 LYS 16 HZ3 LYS 16 20.231 8.468 -1.097 163 H LYS 17 HN LYS 17 17.772 2.456 1.463 164 HA LYS 17 HA LYS 17 19.105 1.385 3.762 165 HB2 LYS 17 HB2 LYS 17 18.405 4.349 3.433 166 HB3 LYS 17 HB1 LYS 17 18.922 3.589 4.984 167 HG2 LYS 17 HG2 LYS 17 20.629 3.519 2.426 168 HG3 LYS 17 HG1 LYS 17 20.753 4.832 3.656 169 HD2 LYS 17 HD2 LYS 17 21.279 3.071 5.405 170 HD3 LYS 17 HD1 LYS 17 21.233 1.818 4.118 171 HE2 LYS 17 HE2 LYS 17 23.130 2.961 2.928 172 HE3 LYS 17 HE1 LYS 17 23.175 4.226 4.227 173 HZ1 LYS 17 HZ1 LYS 17 24.791 2.466 4.547 174 HZ2 LYS 17 HZ2 LYS 17 23.557 1.304 4.640 175 HZ3 LYS 17 HZ3 LYS 17 23.669 2.520 5.820 Start of MODEL 7 1 H1 GLU 1 HT1 GLU 1 8.841 -9.543 -7.312 2 H2 GLU 1 HT2 GLU 1 8.832 -9.595 -9.011 3 H3 GLU 1 HT3 GLU 1 7.875 -10.681 -8.123 4 HA GLU 1 HA GLU 1 6.968 -8.451 -9.203 5 HB2 GLU 1 HB2 GLU 1 6.099 -9.827 -6.600 6 HB3 GLU 1 HB1 GLU 1 5.086 -8.599 -7.442 7 HG2 GLU 1 HG2 GLU 1 4.958 -10.042 -9.474 8 HG3 GLU 1 HG1 GLU 1 6.039 -11.264 -8.696 9 H MET 2 HN MET 2 6.178 -6.323 -8.446 10 HA MET 2 HA MET 2 7.272 -5.367 -5.938 11 HB2 MET 2 HB2 MET 2 7.940 -3.097 -7.285 12 HB3 MET 2 HB1 MET 2 9.174 -4.458 -7.102 13 HG2 MET 2 HG2 MET 2 7.312 -4.667 -9.477 14 HG3 MET 2 HG1 MET 2 8.508 -3.346 -9.511 15 HE1 MET 2 HE1 MET 2 11.179 -3.788 -10.279 16 HE2 MET 2 HE2 MET 2 11.902 -4.952 -9.114 17 HE3 MET 2 HE3 MET 2 10.771 -3.683 -8.529 18 H ARG 3 HN ARG 3 6.728 -3.550 -5.336 19 HA ARG 3 HA ARG 3 4.552 -2.531 -6.762 20 HB2 ARG 3 HB2 ARG 3 5.116 -2.773 -3.916 21 HB3 ARG 3 HB1 ARG 3 4.469 -1.146 -4.451 22 HG2 ARG 3 HG2 ARG 3 2.483 -2.420 -4.262 23 HG3 ARG 3 HG1 ARG 3 2.959 -2.507 -6.019 24 HD2 ARG 3 HD2 ARG 3 3.642 -4.740 -5.896 25 HD3 ARG 3 HD1 ARG 3 3.884 -4.710 -4.088 26 HE ARG 3 HE ARG 3 1.108 -4.208 -4.625 27 HH11 ARG 3 HH11 ARG 3 3.586 -6.740 -4.980 28 HH12 ARG 3 HH12 ARG 3 2.484 -8.064 -4.806 29 HH21 ARG 3 HH21 ARG 3 -0.397 -6.012 -4.381 30 HH22 ARG 3 HH22 ARG 3 0.181 -7.642 -4.459 31 H ILE 4 HN ILE 4 4.902 -1.179 -7.981 32 HA ILE 4 HA ILE 4 7.246 -0.289 -8.666 33 HB ILE 4 HB ILE 4 4.856 1.375 -8.994 34 HG12 ILE 4 HG12 ILE 4 3.835 -0.748 -9.236 35 HG13 ILE 4 HG11 ILE 4 4.300 -0.327 -10.932 36 HG21 ILE 4 HG21 ILE 4 5.830 1.595 -11.329 37 HG22 ILE 4 HG22 ILE 4 7.230 0.597 -10.778 38 HG23 ILE 4 HG23 ILE 4 6.902 2.201 -10.006 39 HD11 ILE 4 HD11 ILE 4 6.603 -1.692 -9.859 40 HD12 ILE 4 HD12 ILE 4 5.379 -2.362 -11.016 41 HD13 ILE 4 HD13 ILE 4 5.165 -2.606 -9.231 42 H SER 5 HN SER 5 5.556 0.458 -6.111 43 HA SER 5 HA SER 5 6.037 3.070 -5.771 44 HB2 SER 5 HB2 SER 5 5.438 0.816 -3.927 45 HB3 SER 5 HB1 SER 5 5.432 2.551 -3.369 46 HG SER 5 HG SER 5 3.582 2.874 -4.348 47 H ARG 6 HN ARG 6 7.343 0.160 -4.898 48 HA ARG 6 HA ARG 6 9.014 1.050 -2.856 49 HB2 ARG 6 HB2 ARG 6 9.468 -1.221 -2.718 50 HB3 ARG 6 HB1 ARG 6 7.876 -1.235 -3.617 51 HG2 ARG 6 HG2 ARG 6 9.093 -1.105 -5.730 52 HG3 ARG 6 HG1 ARG 6 10.658 -1.374 -4.848 53 HD2 ARG 6 HD2 ARG 6 8.188 -3.153 -4.594 54 HD3 ARG 6 HD1 ARG 6 9.602 -3.501 -5.691 55 HE ARG 6 HE ARG 6 10.574 -3.016 -3.026 56 HH11 ARG 6 HH11 ARG 6 8.766 -5.391 -4.968 57 HH12 ARG 6 HH12 ARG 6 9.196 -6.752 -3.990 58 HH21 ARG 6 HH21 ARG 6 11.165 -4.874 -1.695 59 HH22 ARG 6 HH22 ARG 6 10.580 -6.453 -2.099 60 H ILE 7 HN ILE 7 8.854 1.146 -6.224 61 HA ILE 7 HA ILE 7 11.635 1.123 -6.545 62 HB ILE 7 HB ILE 7 9.357 1.377 -8.406 63 HG12 ILE 7 HG12 ILE 7 11.364 -0.847 -8.329 64 HG13 ILE 7 HG11 ILE 7 10.204 -0.687 -6.962 65 HG21 ILE 7 HG21 ILE 7 11.215 0.998 -10.186 66 HG22 ILE 7 HG22 ILE 7 12.388 1.466 -8.895 67 HG23 ILE 7 HG23 ILE 7 11.132 2.642 -9.443 68 HD11 ILE 7 HD11 ILE 7 8.490 -1.475 -8.192 69 HD12 ILE 7 HD12 ILE 7 9.692 -1.898 -9.485 70 HD13 ILE 7 HD13 ILE 7 8.825 -0.311 -9.532 71 H ILE 8 HN ILE 8 9.066 3.158 -6.113 72 HA ILE 8 HA ILE 8 10.430 5.437 -7.239 73 HB ILE 8 HB ILE 8 8.341 5.424 -5.112 74 HG12 ILE 8 HG12 ILE 8 7.433 3.894 -6.554 75 HG13 ILE 8 HG11 ILE 8 6.631 5.427 -7.048 76 HG21 ILE 8 HG21 ILE 8 9.709 7.499 -6.351 77 HG22 ILE 8 HG22 ILE 8 8.042 7.680 -5.680 78 HG23 ILE 8 HG23 ILE 8 8.276 7.378 -7.444 79 HD11 ILE 8 HD11 ILE 8 8.490 5.571 -8.883 80 HD12 ILE 8 HD12 ILE 8 7.235 4.278 -9.075 81 HD13 ILE 8 HD13 ILE 8 8.871 3.859 -8.437 82 H LEU 9 HN LEU 9 9.690 3.862 -4.417 83 HA LEU 9 HA LEU 9 10.889 5.408 -2.571 84 HB2 LEU 9 HB2 LEU 9 9.949 2.782 -3.099 85 HB3 LEU 9 HB1 LEU 9 11.291 2.806 -1.906 86 HG LEU 9 HG LEU 9 9.074 4.742 -1.395 87 HD11 LEU 9 HD11 LEU 9 8.639 1.698 -1.131 88 HD12 LEU 9 HD12 LEU 9 7.772 2.805 -2.253 89 HD13 LEU 9 HD13 LEU 9 7.547 2.977 -0.475 90 HD21 LEU 9 HD21 LEU 9 9.846 4.515 0.760 91 HD22 LEU 9 HD22 LEU 9 11.278 3.752 -0.050 92 HD23 LEU 9 HD23 LEU 9 9.961 2.716 0.639 93 H ASP 10 HN ASP 10 12.026 3.142 -4.802 94 HA ASP 10 HA ASP 10 14.447 2.945 -3.451 95 HB2 ASP 10 HB2 ASP 10 13.151 2.315 -6.001 96 HB3 ASP 10 HB1 ASP 10 14.921 2.514 -6.161 97 H PHE 11 HN PHE 11 12.870 5.065 -5.714 98 HA PHE 11 HA PHE 11 15.326 6.380 -6.405 99 HB2 PHE 11 HB2 PHE 11 12.430 6.833 -7.071 100 HB3 PHE 11 HB1 PHE 11 13.814 7.697 -7.899 101 HD1 PHE 11 HD1 PHE 11 11.962 6.167 -9.510 102 HD2 PHE 11 HD2 PHE 11 15.287 4.870 -7.273 103 HE1 PHE 11 HE1 PHE 11 12.077 4.096 -10.742 104 HE2 PHE 11 HE2 PHE 11 15.374 2.920 -8.315 105 HZ PHE 11 HZ PHE 11 13.819 2.405 -10.233 106 H LEU 12 HN LEU 12 13.257 6.276 -4.026 107 HA LEU 12 HA LEU 12 13.214 9.028 -3.626 108 HB2 LEU 12 HB2 LEU 12 12.199 6.592 -2.371 109 HB3 LEU 12 HB1 LEU 12 12.079 8.166 -1.478 110 HG LEU 12 HG LEU 12 11.135 7.596 -4.239 111 HD11 LEU 12 HD11 LEU 12 10.029 6.816 -1.726 112 HD12 LEU 12 HD12 LEU 12 9.378 6.536 -3.380 113 HD13 LEU 12 HD13 LEU 12 8.911 8.031 -2.467 114 HD21 LEU 12 HD21 LEU 12 11.217 9.837 -4.383 115 HD22 LEU 12 HD22 LEU 12 11.325 10.036 -2.591 116 HD23 LEU 12 HD23 LEU 12 9.712 9.808 -3.381 117 H PHE 13 HN PHE 13 14.497 6.086 -2.430 118 HA PHE 13 HA PHE 13 16.152 7.658 -0.579 119 HB2 PHE 13 HB2 PHE 13 14.942 4.948 -0.097 120 HB3 PHE 13 HB1 PHE 13 15.736 6.008 1.156 121 HD1 PHE 13 HD1 PHE 13 13.036 4.996 -0.627 122 HD2 PHE 13 HD2 PHE 13 14.418 8.163 1.720 123 HE1 PHE 13 HE1 PHE 13 10.941 5.742 -0.570 124 HE2 PHE 13 HE2 PHE 13 12.126 8.978 1.913 125 HZ PHE 13 HZ PHE 13 10.285 7.759 0.783 126 H DLE 14 HN DLE 14 15.657 4.910 -2.695 127 HA DLE 14 HA DLE 14 18.330 4.223 -2.019 128 HB2 DLE 14 HB2 DLE 14 17.749 5.035 -4.520 129 HB3 DLE 14 HB1 DLE 14 19.130 3.973 -4.071 130 HG DLE 14 HG DLE 14 16.485 2.686 -4.569 131 HD11 DLE 14 HD11 DLE 14 16.575 2.941 -6.933 132 HD12 DLE 14 HD12 DLE 14 18.209 3.692 -6.882 133 HD13 DLE 14 HD13 DLE 14 16.776 4.592 -6.232 134 HD21 DLE 14 HD21 DLE 14 18.884 1.640 -5.952 135 HD22 DLE 14 HD22 DLE 14 17.745 0.845 -4.790 136 HD23 DLE 14 HD23 DLE 14 19.117 1.830 -4.165 137 H ARG 15 HN ARG 15 15.584 3.652 -1.154 138 HA ARG 15 HA ARG 15 14.960 1.964 0.147 139 HB2 ARG 15 HB2 ARG 15 15.230 0.716 -2.579 140 HB3 ARG 15 HB1 ARG 15 14.561 -0.219 -1.188 141 HG2 ARG 15 HG2 ARG 15 13.548 2.599 -1.649 142 HG3 ARG 15 HG1 ARG 15 12.971 1.291 -2.764 143 HD2 ARG 15 HD2 ARG 15 12.976 0.917 0.290 144 HD3 ARG 15 HD1 ARG 15 11.580 1.705 -0.565 145 HE ARG 15 HE ARG 15 12.144 -0.636 -2.019 146 HH11 ARG 15 HH11 ARG 15 11.234 0.280 1.306 147 HH12 ARG 15 HH12 ARG 15 10.370 -1.182 1.644 148 HH21 ARG 15 HH21 ARG 15 10.964 -2.636 -1.551 149 HH22 ARG 15 HH22 ARG 15 10.214 -2.868 -0.008 150 H LYS 16 HN LYS 16 17.491 2.693 0.003 151 HA LYS 16 HA LYS 16 19.066 0.311 0.572 152 HB2 LYS 16 HB2 LYS 16 21.038 1.577 -0.110 153 HB3 LYS 16 HB1 LYS 16 19.797 1.802 -1.400 154 HG2 LYS 16 HG2 LYS 16 19.099 3.964 -0.273 155 HG3 LYS 16 HG1 LYS 16 20.486 3.775 0.855 156 HD2 LYS 16 HD2 LYS 16 22.060 4.299 -0.769 157 HD3 LYS 16 HD1 LYS 16 21.104 3.562 -2.101 158 HE2 LYS 16 HE2 LYS 16 19.620 5.527 -2.237 159 HE3 LYS 16 HE1 LYS 16 20.331 6.230 -0.726 160 HZ1 LYS 16 HZ1 LYS 16 22.242 5.590 -2.814 161 HZ2 LYS 16 HZ2 LYS 16 22.095 6.967 -1.830 162 HZ3 LYS 16 HZ3 LYS 16 21.120 6.802 -3.211 163 H LYS 17 HN LYS 17 17.137 2.476 1.998 164 HA LYS 17 HA LYS 17 18.944 2.653 4.254 165 HB2 LYS 17 HB2 LYS 17 17.139 4.897 3.212 166 HB3 LYS 17 HB1 LYS 17 18.025 4.943 4.783 167 HG2 LYS 17 HG2 LYS 17 20.194 4.700 3.552 168 HG3 LYS 17 HG1 LYS 17 19.294 4.681 1.997 169 HD2 LYS 17 HD2 LYS 17 18.416 6.983 2.479 170 HD3 LYS 17 HD1 LYS 17 19.321 7.004 4.032 171 HE2 LYS 17 HE2 LYS 17 20.623 6.724 1.240 172 HE3 LYS 17 HE1 LYS 17 20.525 8.257 2.202 173 HZ1 LYS 17 HZ1 LYS 17 22.420 7.598 3.063 174 HZ2 LYS 17 HZ2 LYS 17 22.283 6.014 2.464 175 HZ3 LYS 17 HZ3 LYS 17 21.549 6.430 3.936 Start of MODEL 8 1 H1 GLU 1 HT1 GLU 1 5.792 -8.193 -7.596 2 H2 GLU 1 HT2 GLU 1 6.134 -9.817 -7.958 3 H3 GLU 1 HT3 GLU 1 6.006 -8.677 -9.210 4 HA GLU 1 HA GLU 1 8.232 -9.381 -7.610 5 HB2 GLU 1 HB2 GLU 1 8.145 -9.286 -10.133 6 HB3 GLU 1 HB1 GLU 1 7.916 -7.505 -10.026 7 HG2 GLU 1 HG2 GLU 1 10.166 -7.254 -8.947 8 HG3 GLU 1 HG1 GLU 1 10.399 -9.046 -9.001 9 H MET 2 HN MET 2 6.551 -6.248 -8.360 10 HA MET 2 HA MET 2 7.582 -5.156 -5.906 11 HB2 MET 2 HB2 MET 2 8.127 -2.864 -7.289 12 HB3 MET 2 HB1 MET 2 9.443 -4.113 -6.990 13 HG2 MET 2 HG2 MET 2 8.241 -5.078 -9.360 14 HG3 MET 2 HG1 MET 2 8.158 -3.306 -9.548 15 HE1 MET 2 HE1 MET 2 9.720 -3.311 -11.700 16 HE2 MET 2 HE2 MET 2 9.408 -5.068 -11.488 17 HE3 MET 2 HE3 MET 2 11.073 -4.487 -11.835 18 H ARG 3 HN ARG 3 6.927 -3.361 -5.358 19 HA ARG 3 HA ARG 3 4.616 -2.574 -6.724 20 HB2 ARG 3 HB2 ARG 3 5.318 -2.696 -3.901 21 HB3 ARG 3 HB1 ARG 3 4.555 -1.121 -4.432 22 HG2 ARG 3 HG2 ARG 3 2.654 -2.484 -4.128 23 HG3 ARG 3 HG1 ARG 3 3.049 -2.601 -5.898 24 HD2 ARG 3 HD2 ARG 3 2.471 -4.852 -4.928 25 HD3 ARG 3 HD1 ARG 3 4.186 -4.776 -5.531 26 HE ARG 3 HE ARG 3 4.078 -4.076 -2.710 27 HH11 ARG 3 HH11 ARG 3 3.771 -6.787 -4.997 28 HH12 ARG 3 HH12 ARG 3 4.319 -7.994 -3.882 29 HH21 ARG 3 HH21 ARG 3 4.826 -5.715 -1.191 30 HH22 ARG 3 HH22 ARG 3 4.929 -7.373 -1.681 31 H ILE 4 HN ILE 4 4.752 -1.165 -7.929 32 HA ILE 4 HA ILE 4 6.976 -0.092 -8.769 33 HB ILE 4 HB ILE 4 4.485 1.404 -8.968 34 HG12 ILE 4 HG12 ILE 4 3.553 -0.780 -9.100 35 HG13 ILE 4 HG11 ILE 4 3.898 -0.390 -10.829 36 HG21 ILE 4 HG21 ILE 4 6.799 0.699 -10.855 37 HG22 ILE 4 HG22 ILE 4 6.387 2.310 -10.147 38 HG23 ILE 4 HG23 ILE 4 5.304 1.562 -11.386 39 HD11 ILE 4 HD11 ILE 4 5.115 -2.348 -10.943 40 HD12 ILE 4 HD12 ILE 4 4.942 -2.601 -9.153 41 HD13 ILE 4 HD13 ILE 4 6.323 -1.624 -9.800 42 H SER 5 HN SER 5 5.590 0.509 -6.016 43 HA SER 5 HA SER 5 5.973 3.210 -5.862 44 HB2 SER 5 HB2 SER 5 5.215 1.074 -3.930 45 HB3 SER 5 HB1 SER 5 5.277 2.833 -3.453 46 HG SER 5 HG SER 5 3.506 3.225 -4.582 47 H ARG 6 HN ARG 6 7.174 0.291 -4.893 48 HA ARG 6 HA ARG 6 8.826 1.204 -2.819 49 HB2 ARG 6 HB2 ARG 6 9.160 -1.048 -2.540 50 HB3 ARG 6 HB1 ARG 6 7.625 -1.063 -3.525 51 HG2 ARG 6 HG2 ARG 6 8.971 -1.094 -5.558 52 HG3 ARG 6 HG1 ARG 6 10.458 -1.393 -4.566 53 HD2 ARG 6 HD2 ARG 6 7.870 -2.990 -4.324 54 HD3 ARG 6 HD1 ARG 6 9.295 -3.526 -5.317 55 HE ARG 6 HE ARG 6 9.153 -3.385 -2.342 56 HH11 ARG 6 HH11 ARG 6 11.091 -3.822 -5.306 57 HH12 ARG 6 HH12 ARG 6 12.415 -4.605 -4.511 58 HH21 ARG 6 HH21 ARG 6 10.963 -4.465 -1.266 59 HH22 ARG 6 HH22 ARG 6 12.341 -4.973 -2.182 60 H ILE 7 HN ILE 7 8.674 1.200 -6.143 61 HA ILE 7 HA ILE 7 11.432 1.022 -6.580 62 HB ILE 7 HB ILE 7 9.035 1.477 -8.262 63 HG12 ILE 7 HG12 ILE 7 10.963 -0.849 -8.215 64 HG13 ILE 7 HG11 ILE 7 9.621 -0.674 -7.028 65 HG21 ILE 7 HG21 ILE 7 12.012 1.355 -9.037 66 HG22 ILE 7 HG22 ILE 7 10.833 2.680 -9.380 67 HG23 ILE 7 HG23 ILE 7 10.675 1.088 -10.217 68 HD11 ILE 7 HD11 ILE 7 9.446 -1.657 -9.742 69 HD12 ILE 7 HD12 ILE 7 8.557 -0.083 -9.653 70 HD13 ILE 7 HD13 ILE 7 8.127 -1.424 -8.525 71 H ILE 8 HN ILE 8 8.956 3.224 -6.132 72 HA ILE 8 HA ILE 8 10.437 5.412 -7.277 73 HB ILE 8 HB ILE 8 8.358 5.517 -5.146 74 HG12 ILE 8 HG12 ILE 8 7.396 4.005 -6.574 75 HG13 ILE 8 HG11 ILE 8 6.642 5.563 -7.068 76 HG21 ILE 8 HG21 ILE 8 8.139 7.777 -5.752 77 HG22 ILE 8 HG22 ILE 8 8.398 7.444 -7.506 78 HG23 ILE 8 HG23 ILE 8 9.811 7.520 -6.384 79 HD11 ILE 8 HD11 ILE 8 8.483 5.631 -8.925 80 HD12 ILE 8 HD12 ILE 8 7.187 4.371 -9.092 81 HD13 ILE 8 HD13 ILE 8 8.818 3.912 -8.462 82 H LEU 9 HN LEU 9 9.624 3.925 -4.424 83 HA LEU 9 HA LEU 9 10.892 5.450 -2.612 84 HB2 LEU 9 HB2 LEU 9 9.829 2.865 -3.090 85 HB3 LEU 9 HB1 LEU 9 11.168 2.843 -1.891 86 HG LEU 9 HG LEU 9 9.030 4.894 -1.450 87 HD11 LEU 9 HD11 LEU 9 7.449 3.215 -0.457 88 HD12 LEU 9 HD12 LEU 9 8.501 1.879 -1.069 89 HD13 LEU 9 HD13 LEU 9 7.661 2.969 -2.229 90 HD21 LEU 9 HD21 LEU 9 11.203 3.887 -0.069 91 HD22 LEU 9 HD22 LEU 9 9.853 2.923 0.663 92 HD23 LEU 9 HD23 LEU 9 9.800 4.727 0.711 93 H ASP 10 HN ASP 10 11.929 3.082 -4.791 94 HA ASP 10 HA ASP 10 14.340 2.824 -3.422 95 HB2 ASP 10 HB2 ASP 10 13.013 2.146 -5.942 96 HB3 ASP 10 HB1 ASP 10 14.789 2.275 -6.117 97 H PHE 11 HN PHE 11 12.857 4.932 -5.754 98 HA PHE 11 HA PHE 11 15.369 6.126 -6.474 99 HB2 PHE 11 HB2 PHE 11 12.494 6.687 -7.158 100 HB3 PHE 11 HB1 PHE 11 13.920 7.459 -8.011 101 HD1 PHE 11 HD1 PHE 11 11.994 5.953 -9.570 102 HD2 PHE 11 HD2 PHE 11 15.271 4.597 -7.301 103 HE1 PHE 11 HE1 PHE 11 12.019 3.838 -10.729 104 HE2 PHE 11 HE2 PHE 11 15.273 2.610 -8.276 105 HZ PHE 11 HZ PHE 11 13.690 2.094 -10.166 106 H LEU 12 HN LEU 12 13.298 6.181 -4.093 107 HA LEU 12 HA LEU 12 13.362 8.944 -3.783 108 HB2 LEU 12 HB2 LEU 12 12.248 6.590 -2.458 109 HB3 LEU 12 HB1 LEU 12 12.197 8.194 -1.608 110 HG LEU 12 HG LEU 12 11.235 7.600 -4.357 111 HD11 LEU 12 HD11 LEU 12 9.438 6.623 -3.476 112 HD12 LEU 12 HD12 LEU 12 9.023 8.157 -2.607 113 HD13 LEU 12 HD13 LEU 12 10.092 6.919 -1.829 114 HD21 LEU 12 HD21 LEU 12 11.534 10.061 -2.765 115 HD22 LEU 12 HD22 LEU 12 9.900 9.885 -3.526 116 HD23 LEU 12 HD23 LEU 12 11.391 9.832 -4.548 117 H PHE 13 HN PHE 13 14.524 5.995 -2.487 118 HA PHE 13 HA PHE 13 16.236 7.566 -0.685 119 HB2 PHE 13 HB2 PHE 13 14.922 4.918 -0.125 120 HB3 PHE 13 HB1 PHE 13 15.762 5.979 1.098 121 HD1 PHE 13 HD1 PHE 13 13.027 5.032 -0.660 122 HD2 PHE 13 HD2 PHE 13 14.531 8.200 1.608 123 HE1 PHE 13 HE1 PHE 13 10.963 5.864 -0.630 124 HE2 PHE 13 HE2 PHE 13 12.273 9.113 1.773 125 HZ PHE 13 HZ PHE 13 10.387 7.941 0.669 126 H DLE 14 HN DLE 14 15.649 4.784 -2.730 127 HA DLE 14 HA DLE 14 18.297 4.026 -2.032 128 HB2 DLE 14 HB2 DLE 14 17.724 4.761 -4.557 129 HB3 DLE 14 HB1 DLE 14 19.074 3.672 -4.076 130 HG DLE 14 HG DLE 14 16.381 2.455 -4.509 131 HD11 DLE 14 HD11 DLE 14 16.735 4.285 -6.248 132 HD12 DLE 14 HD12 DLE 14 16.468 2.613 -6.883 133 HD13 DLE 14 HD13 DLE 14 18.127 3.310 -6.869 134 HD21 DLE 14 HD21 DLE 14 18.996 1.533 -4.096 135 HD22 DLE 14 HD22 DLE 14 18.721 1.266 -5.867 136 HD23 DLE 14 HD23 DLE 14 17.579 0.568 -4.647 137 H ARG 15 HN ARG 15 15.526 3.581 -1.150 138 HA ARG 15 HA ARG 15 14.851 1.976 0.224 139 HB2 ARG 15 HB2 ARG 15 15.070 0.605 -2.447 140 HB3 ARG 15 HB1 ARG 15 14.365 -0.244 -1.019 141 HG2 ARG 15 HG2 ARG 15 13.467 2.592 -1.601 142 HG3 ARG 15 HG1 ARG 15 12.833 1.262 -2.658 143 HD2 ARG 15 HD2 ARG 15 12.833 0.969 0.398 144 HD3 ARG 15 HD1 ARG 15 11.498 1.866 -0.445 145 HE ARG 15 HE ARG 15 11.824 -0.528 -1.882 146 HH11 ARG 15 HH11 ARG 15 11.106 0.481 1.461 147 HH12 ARG 15 HH12 ARG 15 10.115 -0.889 1.833 148 HH21 ARG 15 HH21 ARG 15 10.464 -2.401 -1.372 149 HH22 ARG 15 HH22 ARG 15 9.744 -2.554 0.196 150 H LYS 16 HN LYS 16 17.406 2.611 0.050 151 HA LYS 16 HA LYS 16 18.906 0.202 0.709 152 HB2 LYS 16 HB2 LYS 16 20.919 1.385 -0.002 153 HB3 LYS 16 HB1 LYS 16 19.690 1.599 -1.307 154 HG2 LYS 16 HG2 LYS 16 19.052 3.819 -0.266 155 HG3 LYS 16 HG1 LYS 16 20.421 3.630 0.885 156 HD2 LYS 16 HD2 LYS 16 22.025 4.053 -0.739 157 HD3 LYS 16 HD1 LYS 16 21.064 3.292 -2.054 158 HE2 LYS 16 HE2 LYS 16 19.640 5.288 -2.285 159 HE3 LYS 16 HE1 LYS 16 20.336 6.022 -0.783 160 HZ1 LYS 16 HZ1 LYS 16 22.227 6.576 -1.841 161 HZ2 LYS 16 HZ2 LYS 16 21.183 6.615 -3.180 162 HZ3 LYS 16 HZ3 LYS 16 22.189 5.270 -2.925 163 H LYS 17 HN LYS 17 17.053 2.489 2.061 164 HA LYS 17 HA LYS 17 18.875 2.671 4.307 165 HB2 LYS 17 HB2 LYS 17 17.127 4.935 3.213 166 HB3 LYS 17 HB1 LYS 17 18.027 5.000 4.774 167 HG2 LYS 17 HG2 LYS 17 20.179 4.663 3.535 168 HG3 LYS 17 HG1 LYS 17 19.266 4.622 1.988 169 HD2 LYS 17 HD2 LYS 17 18.463 6.960 2.392 170 HD3 LYS 17 HD1 LYS 17 19.355 7.002 3.953 171 HE2 LYS 17 HE2 LYS 17 21.530 6.721 2.727 172 HE3 LYS 17 HE1 LYS 17 20.631 6.667 1.154 173 HZ1 LYS 17 HZ1 LYS 17 21.612 8.870 2.291 174 HZ2 LYS 17 HZ2 LYS 17 20.012 8.922 2.860 175 HZ3 LYS 17 HZ3 LYS 17 20.318 8.845 1.192 Start of MODEL 9 1 H1 GLU 1 HT1 GLU 1 7.482 -7.756 -10.265 2 H2 GLU 1 HT2 GLU 1 6.272 -7.223 -9.196 3 H3 GLU 1 HT3 GLU 1 6.313 -8.848 -9.692 4 HA GLU 1 HA GLU 1 7.357 -9.223 -7.810 5 HB2 GLU 1 HB2 GLU 1 9.180 -9.499 -9.487 6 HB3 GLU 1 HB1 GLU 1 9.574 -7.753 -9.351 7 HG2 GLU 1 HG2 GLU 1 11.224 -9.068 -8.062 8 HG3 GLU 1 HG1 GLU 1 10.212 -8.113 -6.911 9 H MET 2 HN MET 2 7.935 -5.788 -8.804 10 HA MET 2 HA MET 2 8.029 -5.121 -5.931 11 HB2 MET 2 HB2 MET 2 8.449 -2.648 -7.290 12 HB3 MET 2 HB1 MET 2 9.747 -3.652 -6.505 13 HG2 MET 2 HG2 MET 2 8.900 -4.140 -9.410 14 HG3 MET 2 HG1 MET 2 10.182 -2.986 -8.939 15 HE1 MET 2 HE1 MET 2 13.187 -4.830 -7.877 16 HE2 MET 2 HE2 MET 2 12.006 -3.816 -6.977 17 HE3 MET 2 HE3 MET 2 12.453 -3.392 -8.666 18 H ARG 3 HN ARG 3 7.328 -3.227 -5.360 19 HA ARG 3 HA ARG 3 4.884 -2.699 -6.622 20 HB2 ARG 3 HB2 ARG 3 5.766 -2.687 -3.844 21 HB3 ARG 3 HB1 ARG 3 4.787 -1.227 -4.346 22 HG2 ARG 3 HG2 ARG 3 3.116 -2.837 -3.860 23 HG3 ARG 3 HG1 ARG 3 3.355 -2.880 -5.662 24 HD2 ARG 3 HD2 ARG 3 4.502 -4.946 -5.612 25 HD3 ARG 3 HD1 ARG 3 4.848 -4.850 -3.824 26 HE ARG 3 HE ARG 3 2.008 -4.834 -4.149 27 HH11 ARG 3 HH11 ARG 3 4.821 -6.925 -4.781 28 HH12 ARG 3 HH12 ARG 3 3.956 -8.412 -4.574 29 HH21 ARG 3 HH21 ARG 3 0.831 -6.856 -3.868 30 HH22 ARG 3 HH22 ARG 3 1.649 -8.371 -4.047 31 H ILE 4 HN ILE 4 4.723 -1.215 -7.750 32 HA ILE 4 HA ILE 4 6.782 0.046 -8.774 33 HB ILE 4 HB ILE 4 4.174 1.319 -8.733 34 HG12 ILE 4 HG12 ILE 4 3.414 -0.939 -8.814 35 HG13 ILE 4 HG11 ILE 4 3.585 -0.523 -10.563 36 HG21 ILE 4 HG21 ILE 4 5.897 2.379 -10.059 37 HG22 ILE 4 HG22 ILE 4 4.766 1.562 -11.211 38 HG23 ILE 4 HG23 ILE 4 6.361 0.809 -10.825 39 HD11 ILE 4 HD11 ILE 4 4.985 -2.619 -8.957 40 HD12 ILE 4 HD12 ILE 4 6.179 -1.547 -9.791 41 HD13 ILE 4 HD13 ILE 4 4.916 -2.410 -10.759 42 H SER 5 HN SER 5 5.572 0.507 -5.879 43 HA SER 5 HA SER 5 5.876 3.244 -5.771 44 HB2 SER 5 HB2 SER 5 5.135 1.153 -3.774 45 HB3 SER 5 HB1 SER 5 5.203 2.923 -3.354 46 HG SER 5 HG SER 5 3.465 3.303 -4.601 47 H ARG 6 HN ARG 6 7.076 0.337 -4.751 48 HA ARG 6 HA ARG 6 8.753 1.349 -2.734 49 HB2 ARG 6 HB2 ARG 6 9.053 -0.880 -2.303 50 HB3 ARG 6 HB1 ARG 6 7.537 -0.952 -3.306 51 HG2 ARG 6 HG2 ARG 6 8.944 -1.119 -5.317 52 HG3 ARG 6 HG1 ARG 6 10.374 -1.415 -4.248 53 HD2 ARG 6 HD2 ARG 6 7.746 -2.884 -3.802 54 HD3 ARG 6 HD1 ARG 6 8.971 -3.517 -4.971 55 HE ARG 6 HE ARG 6 10.249 -2.875 -2.461 56 HH11 ARG 6 HH11 ARG 6 8.046 -5.215 -4.006 57 HH12 ARG 6 HH12 ARG 6 8.505 -6.547 -3.000 58 HH21 ARG 6 HH21 ARG 6 10.873 -4.696 -1.092 59 HH22 ARG 6 HH22 ARG 6 10.133 -6.246 -1.315 60 H ILE 7 HN ILE 7 8.556 1.194 -6.030 61 HA ILE 7 HA ILE 7 11.296 0.954 -6.527 62 HB ILE 7 HB ILE 7 8.860 1.488 -8.135 63 HG12 ILE 7 HG12 ILE 7 10.695 -0.914 -8.090 64 HG13 ILE 7 HG11 ILE 7 9.315 -0.682 -6.946 65 HG21 ILE 7 HG21 ILE 7 11.803 1.252 -9.007 66 HG22 ILE 7 HG22 ILE 7 10.660 2.612 -9.324 67 HG23 ILE 7 HG23 ILE 7 10.422 1.021 -10.142 68 HD11 ILE 7 HD11 ILE 7 8.355 -0.023 -9.593 69 HD12 ILE 7 HD12 ILE 7 7.852 -1.382 -8.522 70 HD13 ILE 7 HD13 ILE 7 9.199 -1.615 -9.713 71 H ILE 8 HN ILE 8 8.869 3.230 -6.084 72 HA ILE 8 HA ILE 8 10.381 5.363 -7.286 73 HB ILE 8 HB ILE 8 8.332 5.543 -5.131 74 HG12 ILE 8 HG12 ILE 8 7.313 4.030 -6.509 75 HG13 ILE 8 HG11 ILE 8 6.595 5.597 -7.038 76 HG21 ILE 8 HG21 ILE 8 8.148 7.797 -5.770 77 HG22 ILE 8 HG22 ILE 8 8.374 7.429 -7.523 78 HG23 ILE 8 HG23 ILE 8 9.805 7.498 -6.422 79 HD11 ILE 8 HD11 ILE 8 7.080 4.385 -9.049 80 HD12 ILE 8 HD12 ILE 8 8.675 3.819 -8.411 81 HD13 ILE 8 HD13 ILE 8 8.462 5.552 -8.896 82 H LEU 9 HN LEU 9 9.569 3.960 -4.389 83 HA LEU 9 HA LEU 9 10.899 5.502 -2.636 84 HB2 LEU 9 HB2 LEU 9 9.758 2.939 -3.026 85 HB3 LEU 9 HB1 LEU 9 11.110 2.913 -1.841 86 HG LEU 9 HG LEU 9 9.065 5.052 -1.423 87 HD11 LEU 9 HD11 LEU 9 7.402 3.473 -0.409 88 HD12 LEU 9 HD12 LEU 9 8.376 2.076 -1.009 89 HD13 LEU 9 HD13 LEU 9 7.595 3.199 -2.179 90 HD21 LEU 9 HD21 LEU 9 9.820 4.864 0.743 91 HD22 LEU 9 HD22 LEU 9 11.189 3.968 -0.038 92 HD23 LEU 9 HD23 LEU 9 9.809 3.057 0.703 93 H ASP 10 HN ASP 10 11.846 3.049 -4.760 94 HA ASP 10 HA ASP 10 14.261 2.757 -3.407 95 HB2 ASP 10 HB2 ASP 10 12.891 2.051 -5.896 96 HB3 ASP 10 HB1 ASP 10 14.668 2.132 -6.095 97 H PHE 11 HN PHE 11 12.813 4.850 -5.777 98 HA PHE 11 HA PHE 11 15.350 5.957 -6.548 99 HB2 PHE 11 HB2 PHE 11 12.487 6.579 -7.222 100 HB3 PHE 11 HB1 PHE 11 13.924 7.291 -8.105 101 HD1 PHE 11 HD1 PHE 11 11.941 5.798 -9.607 102 HD2 PHE 11 HD2 PHE 11 15.207 4.414 -7.337 103 HE1 PHE 11 HE1 PHE 11 11.897 3.655 -10.711 104 HE2 PHE 11 HE2 PHE 11 15.146 2.402 -8.261 105 HZ PHE 11 HZ PHE 11 13.528 1.881 -10.122 106 H LEU 12 HN LEU 12 13.301 6.128 -4.153 107 HA LEU 12 HA LEU 12 13.445 8.895 -3.912 108 HB2 LEU 12 HB2 LEU 12 12.283 6.606 -2.516 109 HB3 LEU 12 HB1 LEU 12 12.281 8.231 -1.709 110 HG LEU 12 HG LEU 12 11.275 7.589 -4.431 111 HD11 LEU 12 HD11 LEU 12 9.098 8.253 -2.675 112 HD12 LEU 12 HD12 LEU 12 10.142 7.008 -1.875 113 HD13 LEU 12 HD13 LEU 12 9.461 6.689 -3.509 114 HD21 LEU 12 HD21 LEU 12 11.495 9.809 -4.685 115 HD22 LEU 12 HD22 LEU 12 11.649 10.085 -2.909 116 HD23 LEU 12 HD23 LEU 12 10.010 9.930 -3.661 117 H PHE 13 HN PHE 13 14.540 5.949 -2.553 118 HA PHE 13 HA PHE 13 16.307 7.517 -0.806 119 HB2 PHE 13 HB2 PHE 13 14.932 4.919 -0.168 120 HB3 PHE 13 HB1 PHE 13 15.807 5.991 1.021 121 HD1 PHE 13 HD1 PHE 13 13.034 5.063 -0.687 122 HD2 PHE 13 HD2 PHE 13 14.638 8.258 1.475 123 HE1 PHE 13 HE1 PHE 13 10.991 5.946 -0.661 124 HE2 PHE 13 HE2 PHE 13 12.404 9.230 1.633 125 HZ PHE 13 HZ PHE 13 10.480 8.074 0.583 126 H DLE 14 HN DLE 14 15.630 4.702 -2.776 127 HA DLE 14 HA DLE 14 18.263 3.893 -2.081 128 HB2 DLE 14 HB2 DLE 14 17.686 4.575 -4.619 129 HB3 DLE 14 HB1 DLE 14 19.010 3.462 -4.123 130 HG DLE 14 HG DLE 14 16.282 2.309 -4.498 131 HD11 DLE 14 HD11 DLE 14 16.669 4.080 -6.290 132 HD12 DLE 14 HD12 DLE 14 16.350 2.400 -6.876 133 HD13 DLE 14 HD13 DLE 14 18.028 3.051 -6.895 134 HD21 DLE 14 HD21 DLE 14 17.427 0.387 -4.589 135 HD22 DLE 14 HD22 DLE 14 18.877 1.329 -4.086 136 HD23 DLE 14 HD23 DLE 14 18.568 1.014 -5.845 137 H ARG 15 HN ARG 15 15.487 3.544 -1.168 138 HA ARG 15 HA ARG 15 14.781 1.996 0.254 139 HB2 ARG 15 HB2 ARG 15 14.945 0.548 -2.380 140 HB3 ARG 15 HB1 ARG 15 14.235 -0.247 -0.925 141 HG2 ARG 15 HG2 ARG 15 13.392 2.590 -1.581 142 HG3 ARG 15 HG1 ARG 15 12.717 1.242 -2.587 143 HD2 ARG 15 HD2 ARG 15 12.744 1.091 0.486 144 HD3 ARG 15 HD1 ARG 15 11.396 1.920 -0.406 145 HE ARG 15 HE ARG 15 11.750 -0.552 -1.697 146 HH11 ARG 15 HH11 ARG 15 11.011 0.657 1.573 147 HH12 ARG 15 HH12 ARG 15 10.039 -0.700 2.034 148 HH21 ARG 15 HH21 ARG 15 10.417 -2.414 -1.064 149 HH22 ARG 15 HH22 ARG 15 9.697 -2.473 0.509 150 H LYS 16 HN LYS 16 17.350 2.561 0.045 151 HA LYS 16 HA LYS 16 18.792 0.134 0.763 152 HB2 LYS 16 HB2 LYS 16 20.830 1.244 0.006 153 HB3 LYS 16 HB1 LYS 16 19.599 1.452 -1.297 154 HG2 LYS 16 HG2 LYS 16 19.022 3.716 -0.318 155 HG3 LYS 16 HG1 LYS 16 20.394 3.527 0.831 156 HD2 LYS 16 HD2 LYS 16 21.998 3.861 -0.814 157 HD3 LYS 16 HD1 LYS 16 21.011 3.086 -2.101 158 HE2 LYS 16 HE2 LYS 16 19.635 5.110 -2.382 159 HE3 LYS 16 HE1 LYS 16 20.363 5.872 -0.909 160 HZ1 LYS 16 HZ1 LYS 16 22.196 5.005 -3.017 161 HZ2 LYS 16 HZ2 LYS 16 22.241 6.367 -2.003 162 HZ3 LYS 16 HZ3 LYS 16 21.204 6.342 -3.348 163 H LYS 17 HN LYS 17 17.007 2.501 2.063 164 HA LYS 17 HA LYS 17 18.854 2.710 4.286 165 HB2 LYS 17 HB2 LYS 17 17.134 4.971 3.144 166 HB3 LYS 17 HB1 LYS 17 18.055 5.067 4.692 167 HG2 LYS 17 HG2 LYS 17 20.183 4.656 3.438 168 HG3 LYS 17 HG1 LYS 17 19.252 4.585 1.903 169 HD2 LYS 17 HD2 LYS 17 18.494 6.948 2.248 170 HD3 LYS 17 HD1 LYS 17 19.406 7.020 3.796 171 HE2 LYS 17 HE2 LYS 17 21.560 6.665 2.553 172 HE3 LYS 17 HE1 LYS 17 20.641 6.580 0.992 173 HZ1 LYS 17 HZ1 LYS 17 21.665 8.802 2.093 174 HZ2 LYS 17 HZ2 LYS 17 20.050 8.895 2.611 175 HZ3 LYS 17 HZ3 LYS 17 20.404 8.761 0.956 Start of MODEL 10 1 H1 GLU 1 HT1 GLU 1 7.248 -7.815 -5.564 2 H2 GLU 1 HT2 GLU 1 7.283 -9.200 -4.580 3 H3 GLU 1 HT3 GLU 1 8.054 -7.776 -4.068 4 HA GLU 1 HA GLU 1 5.288 -8.547 -3.945 5 HB2 GLU 1 HB2 GLU 1 6.743 -8.172 -1.929 6 HB3 GLU 1 HB1 GLU 1 7.008 -6.475 -2.457 7 HG2 GLU 1 HG2 GLU 1 5.309 -6.506 -0.666 8 HG3 GLU 1 HG1 GLU 1 4.504 -6.045 -2.215 9 H MET 2 HN MET 2 7.231 -5.717 -5.036 10 HA MET 2 HA MET 2 4.757 -4.657 -6.201 11 HB2 MET 2 HB2 MET 2 6.526 -3.205 -4.229 12 HB3 MET 2 HB1 MET 2 6.092 -2.301 -5.738 13 HG2 MET 2 HG2 MET 2 3.830 -2.243 -5.251 14 HG3 MET 2 HG1 MET 2 3.864 -3.728 -4.239 15 HE1 MET 2 HE1 MET 2 3.938 -3.808 -1.763 16 HE2 MET 2 HE2 MET 2 5.063 -2.777 -0.815 17 HE3 MET 2 HE3 MET 2 5.684 -3.755 -2.189 18 H ARG 3 HN ARG 3 5.209 -2.879 -7.428 19 HA ARG 3 HA ARG 3 7.288 -3.445 -9.268 20 HB2 ARG 3 HB2 ARG 3 4.444 -2.682 -9.356 21 HB3 ARG 3 HB1 ARG 3 5.441 -1.638 -10.401 22 HG2 ARG 3 HG2 ARG 3 6.262 -3.386 -11.630 23 HG3 ARG 3 HG1 ARG 3 5.734 -4.621 -10.416 24 HD2 ARG 3 HD2 ARG 3 3.310 -3.944 -10.922 25 HD3 ARG 3 HD1 ARG 3 3.949 -2.937 -12.291 26 HE ARG 3 HE ARG 3 3.873 -5.916 -12.160 27 HH11 ARG 3 HH11 ARG 3 5.097 -2.956 -13.731 28 HH12 ARG 3 HH12 ARG 3 5.490 -3.732 -15.228 29 HH21 ARG 3 HH21 ARG 3 4.411 -6.964 -14.195 30 HH22 ARG 3 HH22 ARG 3 5.094 -6.047 -15.495 31 H ILE 4 HN ILE 4 6.824 -0.977 -10.445 32 HA ILE 4 HA ILE 4 8.686 0.567 -9.930 33 HB ILE 4 HB ILE 4 6.866 2.462 -10.195 34 HG12 ILE 4 HG12 ILE 4 4.842 1.597 -11.257 35 HG13 ILE 4 HG11 ILE 4 5.470 -0.081 -11.217 36 HG21 ILE 4 HG21 ILE 4 8.626 1.900 -11.847 37 HG22 ILE 4 HG22 ILE 4 7.030 1.982 -12.688 38 HG23 ILE 4 HG23 ILE 4 7.760 0.378 -12.291 39 HD11 ILE 4 HD11 ILE 4 5.013 1.522 -8.631 40 HD12 ILE 4 HD12 ILE 4 5.162 -0.275 -8.800 41 HD13 ILE 4 HD13 ILE 4 3.686 0.582 -9.405 42 H SER 5 HN SER 5 6.337 -0.010 -7.633 43 HA SER 5 HA SER 5 6.206 2.317 -6.228 44 HB2 SER 5 HB2 SER 5 6.194 -0.541 -5.382 45 HB3 SER 5 HB1 SER 5 5.702 0.818 -4.288 46 HG SER 5 HG SER 5 3.810 0.585 -5.123 47 H ARG 6 HN ARG 6 8.176 -0.401 -6.386 48 HA ARG 6 HA ARG 6 9.678 -0.029 -4.059 49 HB2 ARG 6 HB2 ARG 6 10.802 -1.968 -4.883 50 HB3 ARG 6 HB1 ARG 6 9.071 -2.128 -5.411 51 HG2 ARG 6 HG2 ARG 6 9.780 -0.822 -7.498 52 HG3 ARG 6 HG1 ARG 6 11.476 -1.306 -7.045 53 HD2 ARG 6 HD2 ARG 6 9.110 -3.225 -7.281 54 HD3 ARG 6 HD1 ARG 6 10.326 -2.926 -8.608 55 HE ARG 6 HE ARG 6 11.689 -3.557 -6.128 56 HH11 ARG 6 HH11 ARG 6 9.688 -5.006 -8.695 57 HH12 ARG 6 HH12 ARG 6 10.377 -6.589 -8.555 58 HH21 ARG 6 HH21 ARG 6 12.625 -5.715 -5.935 59 HH22 ARG 6 HH22 ARG 6 12.074 -6.999 -6.958 60 H ILE 7 HN ILE 7 9.438 1.187 -7.211 61 HA ILE 7 HA ILE 7 12.165 1.870 -7.290 62 HB ILE 7 HB ILE 7 9.925 2.042 -9.220 63 HG12 ILE 7 HG12 ILE 7 12.551 0.577 -9.531 64 HG13 ILE 7 HG11 ILE 7 11.399 0.015 -8.273 65 HG21 ILE 7 HG21 ILE 7 12.816 3.089 -9.449 66 HG22 ILE 7 HG22 ILE 7 11.287 4.036 -9.618 67 HG23 ILE 7 HG23 ILE 7 11.736 2.811 -10.868 68 HD11 ILE 7 HD11 ILE 7 9.869 -0.769 -9.778 69 HD12 ILE 7 HD12 ILE 7 11.331 -0.893 -10.850 70 HD13 ILE 7 HD13 ILE 7 10.216 0.526 -10.994 71 H ILE 8 HN ILE 8 9.188 3.058 -6.499 72 HA ILE 8 HA ILE 8 10.008 5.810 -6.760 73 HB ILE 8 HB ILE 8 8.003 4.694 -4.861 74 HG12 ILE 8 HG12 ILE 8 7.363 3.598 -6.751 75 HG13 ILE 8 HG11 ILE 8 6.297 5.043 -6.781 76 HG21 ILE 8 HG21 ILE 8 7.259 6.902 -4.651 77 HG22 ILE 8 HG22 ILE 8 7.480 7.255 -6.407 78 HG23 ILE 8 HG23 ILE 8 8.900 7.293 -5.292 79 HD11 ILE 8 HD11 ILE 8 8.836 4.506 -8.436 80 HD12 ILE 8 HD12 ILE 8 7.998 6.110 -8.394 81 HD13 ILE 8 HD13 ILE 8 7.142 4.653 -9.038 82 H LEU 9 HN LEU 9 9.678 3.302 -4.637 83 HA LEU 9 HA LEU 9 10.490 4.391 -2.312 84 HB2 LEU 9 HB2 LEU 9 10.184 1.945 -3.726 85 HB3 LEU 9 HB1 LEU 9 11.462 1.859 -2.469 86 HG LEU 9 HG LEU 9 8.723 2.933 -1.741 87 HD11 LEU 9 HD11 LEU 9 9.452 -0.032 -2.163 88 HD12 LEU 9 HD12 LEU 9 8.126 0.894 -2.951 89 HD13 LEU 9 HD13 LEU 9 8.036 0.522 -1.190 90 HD21 LEU 9 HD21 LEU 9 10.160 1.016 0.033 91 HD22 LEU 9 HD22 LEU 9 9.526 2.671 0.381 92 HD23 LEU 9 HD23 LEU 9 11.145 2.467 -0.417 93 H ASP 10 HN ASP 10 12.131 3.287 -5.064 94 HA ASP 10 HA ASP 10 14.517 3.326 -3.601 95 HB2 ASP 10 HB2 ASP 10 13.497 3.084 -6.323 96 HB3 ASP 10 HB1 ASP 10 15.155 3.780 -6.249 97 H PHE 11 HN PHE 11 12.439 5.531 -5.307 98 HA PHE 11 HA PHE 11 14.485 7.535 -5.419 99 HB2 PHE 11 HB2 PHE 11 11.551 7.485 -6.057 100 HB3 PHE 11 HB1 PHE 11 12.670 8.866 -6.500 101 HD1 PHE 11 HD1 PHE 11 11.236 7.521 -8.618 102 HD2 PHE 11 HD2 PHE 11 14.819 6.394 -6.672 103 HE1 PHE 11 HE1 PHE 11 11.834 6.026 -10.413 104 HE2 PHE 11 HE2 PHE 11 15.347 4.952 -8.263 105 HZ PHE 11 HZ PHE 11 13.938 4.717 -10.336 106 H LEU 12 HN LEU 12 12.611 6.198 -3.279 107 HA LEU 12 HA LEU 12 11.970 8.592 -2.004 108 HB2 LEU 12 HB2 LEU 12 11.524 5.720 -1.653 109 HB3 LEU 12 HB1 LEU 12 11.100 6.872 -0.317 110 HG LEU 12 HG LEU 12 10.248 7.061 -3.154 111 HD11 LEU 12 HD11 LEU 12 9.401 5.258 -1.109 112 HD12 LEU 12 HD12 LEU 12 8.798 5.413 -2.797 113 HD13 LEU 12 HD13 LEU 12 8.022 6.374 -1.469 114 HD21 LEU 12 HD21 LEU 12 9.985 8.789 -0.796 115 HD22 LEU 12 HD22 LEU 12 8.400 8.474 -1.613 116 HD23 LEU 12 HD23 LEU 12 9.786 9.168 -2.548 117 H PHE 13 HN PHE 13 13.909 5.737 -1.814 118 HA PHE 13 HA PHE 13 15.318 6.985 0.454 119 HB2 PHE 13 HB2 PHE 13 14.639 4.064 0.152 120 HB3 PHE 13 HB1 PHE 13 15.324 4.862 1.641 121 HD1 PHE 13 HD1 PHE 13 12.748 4.007 -0.405 122 HD2 PHE 13 HD2 PHE 13 13.684 6.382 2.897 123 HE1 PHE 13 HE1 PHE 13 10.579 4.299 -0.130 124 HE2 PHE 13 HE2 PHE 13 11.296 6.662 3.327 125 HZ PHE 13 HZ PHE 13 9.640 5.588 1.823 126 H DLE 14 HN DLE 14 15.232 4.938 -2.426 127 HA DLE 14 HA DLE 14 18.087 4.720 -2.118 128 HB2 DLE 14 HB2 DLE 14 18.307 3.979 -4.424 129 HB3 DLE 14 HB1 DLE 14 16.524 4.245 -4.622 130 HG DLE 14 HG DLE 14 16.939 6.516 -3.696 131 HD11 DLE 14 HD11 DLE 14 19.036 7.239 -3.228 132 HD12 DLE 14 HD12 DLE 14 19.758 6.447 -4.685 133 HD13 DLE 14 HD13 DLE 14 19.409 5.468 -3.188 134 HD21 DLE 14 HD21 DLE 14 18.270 6.550 -6.351 135 HD22 DLE 14 HD22 DLE 14 16.686 7.246 -5.806 136 HD23 DLE 14 HD23 DLE 14 16.799 5.499 -6.246 137 H ARG 15 HN ARG 15 15.689 3.409 -1.134 138 HA ARG 15 HA ARG 15 15.468 1.454 -0.324 139 HB2 ARG 15 HB2 ARG 15 15.844 0.872 -3.264 140 HB3 ARG 15 HB1 ARG 15 15.291 -0.410 -2.107 141 HG2 ARG 15 HG2 ARG 15 13.947 2.304 -1.954 142 HG3 ARG 15 HG1 ARG 15 13.548 1.255 -3.377 143 HD2 ARG 15 HD2 ARG 15 13.632 0.004 -0.586 144 HD3 ARG 15 HD1 ARG 15 12.182 0.976 -1.075 145 HE ARG 15 HE ARG 15 12.689 -0.707 -3.256 146 HH11 ARG 15 HH11 ARG 15 12.058 -1.059 0.234 147 HH12 ARG 15 HH12 ARG 15 11.294 -2.608 0.104 148 HH21 ARG 15 HH21 ARG 15 11.651 -2.829 -3.433 149 HH22 ARG 15 HH22 ARG 15 11.059 -3.630 -2.017 150 H LYS 16 HN LYS 16 17.831 2.668 -0.371 151 HA LYS 16 HA LYS 16 19.895 0.653 -0.539 152 HB2 LYS 16 HB2 LYS 16 21.458 2.621 -0.401 153 HB3 LYS 16 HB1 LYS 16 20.342 2.706 -1.823 154 HG2 LYS 16 HG2 LYS 16 18.839 4.187 -0.618 155 HG3 LYS 16 HG1 LYS 16 19.829 4.093 0.867 156 HD2 LYS 16 HD2 LYS 16 21.651 5.305 -0.165 157 HD3 LYS 16 HD1 LYS 16 20.947 5.116 -1.809 158 HE2 LYS 16 HE2 LYS 16 19.037 6.603 -1.213 159 HE3 LYS 16 HE1 LYS 16 19.650 6.739 0.489 160 HZ1 LYS 16 HZ1 LYS 16 21.510 7.916 -0.228 161 HZ2 LYS 16 HZ2 LYS 16 20.224 8.569 -1.124 162 HZ3 LYS 16 HZ3 LYS 16 21.307 7.487 -1.858 163 H LYS 17 HN LYS 17 17.846 2.522 1.467 164 HA LYS 17 HA LYS 17 19.227 1.483 3.753 165 HB2 LYS 17 HB2 LYS 17 18.459 4.430 3.421 166 HB3 LYS 17 HB1 LYS 17 19.000 3.686 4.971 167 HG2 LYS 17 HG2 LYS 17 20.695 3.639 2.405 168 HG3 LYS 17 HG1 LYS 17 20.796 4.964 3.624 169 HD2 LYS 17 HD2 LYS 17 21.370 3.227 5.383 170 HD3 LYS 17 HD1 LYS 17 21.348 1.965 4.104 171 HE2 LYS 17 HE2 LYS 17 23.212 3.144 2.898 172 HE3 LYS 17 HE1 LYS 17 23.232 4.420 4.188 173 HZ1 LYS 17 HZ1 LYS 17 23.351 1.991 5.488 174 HZ2 LYS 17 HZ2 LYS 17 24.598 3.121 5.268 175 HZ3 LYS 17 HZ3 LYS 17 24.406 1.844 4.166 Start of MODEL 11 1 H1 GLU 1 HT1 GLU 1 7.466 -7.479 -2.391 2 H2 GLU 1 HT2 GLU 1 5.885 -7.767 -1.841 3 H3 GLU 1 HT3 GLU 1 6.298 -6.248 -2.478 4 HA GLU 1 HA GLU 1 6.966 -8.071 -4.414 5 HB2 GLU 1 HB2 GLU 1 4.226 -8.584 -3.127 6 HB3 GLU 1 HB1 GLU 1 4.620 -9.095 -4.808 7 HG2 GLU 1 HG2 GLU 1 6.428 -10.583 -4.001 8 HG3 GLU 1 HG1 GLU 1 6.202 -9.995 -2.306 9 H MET 2 HN MET 2 7.219 -5.558 -4.767 10 HA MET 2 HA MET 2 4.759 -4.688 -6.145 11 HB2 MET 2 HB2 MET 2 6.425 -3.149 -4.162 12 HB3 MET 2 HB1 MET 2 6.057 -2.288 -5.710 13 HG2 MET 2 HG2 MET 2 4.297 -1.670 -4.271 14 HG3 MET 2 HG1 MET 2 3.592 -2.929 -5.330 15 HE1 MET 2 HE1 MET 2 5.832 -2.883 -1.923 16 HE2 MET 2 HE2 MET 2 4.416 -2.897 -0.815 17 HE3 MET 2 HE3 MET 2 4.574 -1.605 -2.055 18 H ARG 3 HN ARG 3 5.208 -2.902 -7.395 19 HA ARG 3 HA ARG 3 7.312 -3.477 -9.201 20 HB2 ARG 3 HB2 ARG 3 4.467 -2.730 -9.317 21 HB3 ARG 3 HB1 ARG 3 5.464 -1.689 -10.364 22 HG2 ARG 3 HG2 ARG 3 6.335 -3.461 -11.547 23 HG3 ARG 3 HG1 ARG 3 5.734 -4.679 -10.346 24 HD2 ARG 3 HD2 ARG 3 3.388 -4.198 -10.981 25 HD3 ARG 3 HD1 ARG 3 3.939 -2.872 -12.096 26 HE ARG 3 HE ARG 3 5.305 -5.232 -12.906 27 HH11 ARG 3 HH11 ARG 3 1.972 -4.022 -12.571 28 HH12 ARG 3 HH12 ARG 3 1.333 -4.967 -13.874 29 HH21 ARG 3 HH21 ARG 3 4.437 -6.518 -14.679 30 HH22 ARG 3 HH22 ARG 3 2.760 -6.411 -15.093 31 H ILE 4 HN ILE 4 6.847 -1.025 -10.411 32 HA ILE 4 HA ILE 4 8.702 0.529 -9.905 33 HB ILE 4 HB ILE 4 6.879 2.418 -10.203 34 HG12 ILE 4 HG12 ILE 4 4.863 1.534 -11.266 35 HG13 ILE 4 HG11 ILE 4 5.496 -0.141 -11.203 36 HG21 ILE 4 HG21 ILE 4 7.795 0.311 -12.266 37 HG22 ILE 4 HG22 ILE 4 8.648 1.846 -11.839 38 HG23 ILE 4 HG23 ILE 4 7.057 1.905 -12.690 39 HD11 ILE 4 HD11 ILE 4 5.028 1.490 -8.637 40 HD12 ILE 4 HD12 ILE 4 5.173 -0.308 -8.789 41 HD13 ILE 4 HD13 ILE 4 3.700 0.547 -9.407 42 H SER 5 HN SER 5 6.350 -0.026 -7.609 43 HA SER 5 HA SER 5 6.208 2.318 -6.233 44 HB2 SER 5 HB2 SER 5 6.214 -0.529 -5.347 45 HB3 SER 5 HB1 SER 5 5.716 0.842 -4.270 46 HG SER 5 HG SER 5 3.933 1.142 -5.456 47 H ARG 6 HN ARG 6 8.194 -0.392 -6.360 48 HA ARG 6 HA ARG 6 9.699 0.012 -4.038 49 HB2 ARG 6 HB2 ARG 6 10.830 -1.931 -4.846 50 HB3 ARG 6 HB1 ARG 6 9.097 -2.104 -5.363 51 HG2 ARG 6 HG2 ARG 6 9.793 -0.819 -7.468 52 HG3 ARG 6 HG1 ARG 6 11.491 -1.295 -7.019 53 HD2 ARG 6 HD2 ARG 6 9.127 -3.220 -7.227 54 HD3 ARG 6 HD1 ARG 6 10.342 -2.934 -8.558 55 HE ARG 6 HE ARG 6 11.705 -3.538 -6.069 56 HH11 ARG 6 HH11 ARG 6 9.709 -5.014 -8.625 57 HH12 ARG 6 HH12 ARG 6 10.399 -6.595 -8.468 58 HH21 ARG 6 HH21 ARG 6 12.643 -5.694 -5.854 59 HH22 ARG 6 HH22 ARG 6 12.094 -6.988 -6.864 60 H ILE 7 HN ILE 7 9.447 1.193 -7.201 61 HA ILE 7 HA ILE 7 12.169 1.890 -7.297 62 HB ILE 7 HB ILE 7 9.926 2.022 -9.225 63 HG12 ILE 7 HG12 ILE 7 12.560 0.570 -9.517 64 HG13 ILE 7 HG11 ILE 7 11.411 0.017 -8.255 65 HG21 ILE 7 HG21 ILE 7 12.812 3.077 -9.479 66 HG22 ILE 7 HG22 ILE 7 11.282 4.022 -9.644 67 HG23 ILE 7 HG23 ILE 7 11.720 2.787 -10.886 68 HD11 ILE 7 HD11 ILE 7 11.350 -0.923 -10.821 69 HD12 ILE 7 HD12 ILE 7 10.228 0.489 -10.981 70 HD13 ILE 7 HD13 ILE 7 9.891 -0.799 -9.750 71 H ILE 8 HN ILE 8 9.189 3.070 -6.509 72 HA ILE 8 HA ILE 8 10.000 5.822 -6.807 73 HB ILE 8 HB ILE 8 7.993 4.727 -4.898 74 HG12 ILE 8 HG12 ILE 8 7.360 3.601 -6.773 75 HG13 ILE 8 HG11 ILE 8 6.288 5.042 -6.825 76 HG21 ILE 8 HG21 ILE 8 7.236 6.935 -4.728 77 HG22 ILE 8 HG22 ILE 8 7.473 7.265 -6.486 78 HG23 ILE 8 HG23 ILE 8 8.882 7.321 -5.358 79 HD11 ILE 8 HD11 ILE 8 7.136 4.627 -9.076 80 HD12 ILE 8 HD12 ILE 8 8.832 4.487 -8.470 81 HD13 ILE 8 HD13 ILE 8 7.991 6.091 -8.451 82 H LEU 9 HN LEU 9 9.670 3.341 -4.654 83 HA LEU 9 HA LEU 9 10.474 4.456 -2.339 84 HB2 LEU 9 HB2 LEU 9 10.181 1.992 -3.730 85 HB3 LEU 9 HB1 LEU 9 11.442 1.925 -2.457 86 HG LEU 9 HG LEU 9 8.685 2.995 -1.788 87 HD11 LEU 9 HD11 LEU 9 8.035 0.579 -1.180 88 HD12 LEU 9 HD12 LEU 9 9.459 0.036 -2.149 89 HD13 LEU 9 HD13 LEU 9 8.116 0.926 -2.948 90 HD21 LEU 9 HD21 LEU 9 9.468 2.806 0.347 91 HD22 LEU 9 HD22 LEU 9 11.097 2.577 -0.420 92 HD23 LEU 9 HD23 LEU 9 10.104 1.139 0.057 93 H ASP 10 HN ASP 10 12.113 3.320 -5.074 94 HA ASP 10 HA ASP 10 14.503 3.355 -3.621 95 HB2 ASP 10 HB2 ASP 10 13.468 3.148 -6.350 96 HB3 ASP 10 HB1 ASP 10 15.144 3.793 -6.262 97 H PHE 11 HN PHE 11 12.431 5.558 -5.346 98 HA PHE 11 HA PHE 11 14.485 7.555 -5.472 99 HB2 PHE 11 HB2 PHE 11 11.552 7.508 -6.120 100 HB3 PHE 11 HB1 PHE 11 12.678 8.881 -6.571 101 HD1 PHE 11 HD1 PHE 11 11.247 7.521 -8.682 102 HD2 PHE 11 HD2 PHE 11 14.817 6.399 -6.712 103 HE1 PHE 11 HE1 PHE 11 11.846 6.006 -10.460 104 HE2 PHE 11 HE2 PHE 11 15.346 4.938 -8.286 105 HZ PHE 11 HZ PHE 11 13.944 4.689 -10.362 106 H LEU 12 HN LEU 12 12.596 6.248 -3.326 107 HA LEU 12 HA LEU 12 11.963 8.659 -2.078 108 HB2 LEU 12 HB2 LEU 12 11.510 5.791 -1.695 109 HB3 LEU 12 HB1 LEU 12 11.085 6.961 -0.374 110 HG LEU 12 HG LEU 12 10.241 7.120 -3.215 111 HD11 LEU 12 HD11 LEU 12 9.381 5.342 -1.151 112 HD12 LEU 12 HD12 LEU 12 8.786 5.480 -2.844 113 HD13 LEU 12 HD13 LEU 12 8.008 6.458 -1.531 114 HD21 LEU 12 HD21 LEU 12 8.392 8.556 -1.699 115 HD22 LEU 12 HD22 LEU 12 9.787 9.236 -2.630 116 HD23 LEU 12 HD23 LEU 12 9.970 8.869 -0.871 117 H PHE 13 HN PHE 13 13.897 5.804 -1.853 118 HA PHE 13 HA PHE 13 15.305 7.076 0.403 119 HB2 PHE 13 HB2 PHE 13 14.614 4.153 0.128 120 HB3 PHE 13 HB1 PHE 13 15.305 4.960 1.609 121 HD1 PHE 13 HD1 PHE 13 12.724 4.101 -0.424 122 HD2 PHE 13 HD2 PHE 13 13.675 6.497 2.858 123 HE1 PHE 13 HE1 PHE 13 10.558 4.405 -0.150 124 HE2 PHE 13 HE2 PHE 13 11.289 6.792 3.289 125 HZ PHE 13 HZ PHE 13 9.627 5.713 1.795 126 H DLE 14 HN DLE 14 15.218 4.975 -2.438 127 HA DLE 14 HA DLE 14 18.075 4.763 -2.130 128 HB2 DLE 14 HB2 DLE 14 18.282 3.976 -4.427 129 HB3 DLE 14 HB1 DLE 14 16.501 4.248 -4.622 130 HG DLE 14 HG DLE 14 16.943 6.536 -3.741 131 HD11 DLE 14 HD11 DLE 14 19.748 6.392 -4.773 132 HD12 DLE 14 HD12 DLE 14 19.402 5.484 -3.233 133 HD13 DLE 14 HD13 DLE 14 19.057 7.262 -3.345 134 HD21 DLE 14 HD21 DLE 14 18.236 6.474 -6.421 135 HD22 DLE 14 HD22 DLE 14 16.688 7.237 -5.866 136 HD23 DLE 14 HD23 DLE 14 16.734 5.477 -6.259 137 H ARG 15 HN ARG 15 15.663 3.469 -1.134 138 HA ARG 15 HA ARG 15 15.457 1.526 -0.281 139 HB2 ARG 15 HB2 ARG 15 15.812 0.891 -3.212 140 HB3 ARG 15 HB1 ARG 15 15.243 -0.358 -2.030 141 HG2 ARG 15 HG2 ARG 15 13.935 2.378 -1.943 142 HG3 ARG 15 HG1 ARG 15 13.523 1.297 -3.339 143 HD2 ARG 15 HD2 ARG 15 13.593 0.107 -0.523 144 HD3 ARG 15 HD1 ARG 15 12.163 1.104 -1.018 145 HE ARG 15 HE ARG 15 12.610 -0.631 -3.172 146 HH11 ARG 15 HH11 ARG 15 11.997 -0.899 0.329 147 HH12 ARG 15 HH12 ARG 15 11.192 -2.430 0.235 148 HH21 ARG 15 HH21 ARG 15 11.515 -2.728 -3.299 149 HH22 ARG 15 HH22 ARG 15 10.913 -3.486 -1.863 150 H LYS 16 HN LYS 16 17.811 2.734 -0.352 151 HA LYS 16 HA LYS 16 19.878 0.722 -0.533 152 HB2 LYS 16 HB2 LYS 16 21.453 2.658 -0.500 153 HB3 LYS 16 HB1 LYS 16 20.266 2.777 -1.858 154 HG2 LYS 16 HG2 LYS 16 18.849 4.274 -0.544 155 HG3 LYS 16 HG1 LYS 16 19.954 4.160 0.868 156 HD2 LYS 16 HD2 LYS 16 21.665 5.411 -0.227 157 HD3 LYS 16 HD1 LYS 16 20.977 5.114 -1.862 158 HE2 LYS 16 HE2 LYS 16 19.027 6.599 -1.349 159 HE3 LYS 16 HE1 LYS 16 19.657 6.859 0.331 160 HZ1 LYS 16 HZ1 LYS 16 20.188 8.589 -1.388 161 HZ2 LYS 16 HZ2 LYS 16 21.263 7.477 -2.087 162 HZ3 LYS 16 HZ3 LYS 16 21.501 7.999 -0.489 163 H LYS 17 HN LYS 17 17.652 1.733 1.566 164 HA LYS 17 HA LYS 17 19.589 1.774 3.730 165 HB2 LYS 17 HB2 LYS 17 16.895 3.213 3.576 166 HB3 LYS 17 HB1 LYS 17 17.986 3.207 5.011 167 HG2 LYS 17 HG2 LYS 17 19.779 4.287 3.627 168 HG3 LYS 17 HG1 LYS 17 18.657 4.313 2.221 169 HD2 LYS 17 HD2 LYS 17 17.068 5.760 3.517 170 HD3 LYS 17 HD1 LYS 17 18.183 5.730 4.926 171 HE2 LYS 17 HE2 LYS 17 19.952 6.878 3.557 172 HE3 LYS 17 HE1 LYS 17 18.824 6.905 2.139 173 HZ1 LYS 17 HZ1 LYS 17 19.032 8.744 4.178 174 HZ2 LYS 17 HZ2 LYS 17 17.562 7.940 4.453 175 HZ3 LYS 17 HZ3 LYS 17 17.859 8.674 2.952 Start of MODEL 12 1 H1 GLU 1 HT1 GLU 1 6.009 -8.614 -9.271 2 H2 GLU 1 HT2 GLU 1 5.774 -8.175 -7.646 3 H3 GLU 1 HT3 GLU 1 6.096 -9.793 -8.052 4 HA GLU 1 HA GLU 1 8.190 -9.391 -7.634 5 HB2 GLU 1 HB2 GLU 1 8.166 -9.272 -10.156 6 HB3 GLU 1 HB1 GLU 1 7.958 -7.489 -10.039 7 HG2 GLU 1 HG2 GLU 1 10.186 -7.278 -8.906 8 HG3 GLU 1 HG1 GLU 1 10.397 -9.073 -8.973 9 H MET 2 HN MET 2 6.601 -6.215 -8.406 10 HA MET 2 HA MET 2 7.630 -5.169 -5.921 11 HB2 MET 2 HB2 MET 2 8.157 -2.860 -7.305 12 HB3 MET 2 HB1 MET 2 9.477 -4.097 -6.984 13 HG2 MET 2 HG2 MET 2 8.335 -5.100 -9.356 14 HG3 MET 2 HG1 MET 2 8.190 -3.333 -9.563 15 HE1 MET 2 HE1 MET 2 9.777 -3.281 -11.695 16 HE2 MET 2 HE2 MET 2 9.515 -5.047 -11.483 17 HE3 MET 2 HE3 MET 2 11.165 -4.418 -11.815 18 H ARG 3 HN ARG 3 7.013 -3.350 -5.364 19 HA ARG 3 HA ARG 3 4.660 -2.573 -6.662 20 HB2 ARG 3 HB2 ARG 3 5.458 -2.667 -3.861 21 HB3 ARG 3 HB1 ARG 3 4.663 -1.104 -4.384 22 HG2 ARG 3 HG2 ARG 3 2.799 -2.506 -3.984 23 HG3 ARG 3 HG1 ARG 3 3.113 -2.588 -5.773 24 HD2 ARG 3 HD2 ARG 3 4.000 -4.772 -5.673 25 HD3 ARG 3 HD1 ARG 3 4.290 -4.707 -3.872 26 HE ARG 3 HE ARG 3 1.481 -4.358 -4.317 27 HH11 ARG 3 HH11 ARG 3 4.058 -6.773 -4.774 28 HH12 ARG 3 HH12 ARG 3 3.019 -8.145 -4.588 29 HH21 ARG 3 HH21 ARG 3 0.066 -6.225 -4.063 30 HH22 ARG 3 HH22 ARG 3 0.709 -7.828 -4.177 31 H ILE 4 HN ILE 4 4.749 -1.157 -7.872 32 HA ILE 4 HA ILE 4 6.958 -0.073 -8.766 33 HB ILE 4 HB ILE 4 4.448 1.395 -8.923 34 HG12 ILE 4 HG12 ILE 4 3.536 -0.799 -9.030 35 HG13 ILE 4 HG11 ILE 4 3.844 -0.411 -10.769 36 HG21 ILE 4 HG21 ILE 4 6.327 2.313 -10.135 37 HG22 ILE 4 HG22 ILE 4 5.221 1.563 -11.353 38 HG23 ILE 4 HG23 ILE 4 6.730 0.705 -10.856 39 HD11 ILE 4 HD11 ILE 4 6.304 -1.612 -9.786 40 HD12 ILE 4 HD12 ILE 4 5.078 -2.359 -10.893 41 HD13 ILE 4 HD13 ILE 4 4.948 -2.600 -9.099 42 H SER 5 HN SER 5 5.597 0.502 -5.994 43 HA SER 5 HA SER 5 5.962 3.205 -5.837 44 HB2 SER 5 HB2 SER 5 5.221 1.069 -3.900 45 HB3 SER 5 HB1 SER 5 5.273 2.829 -3.430 46 HG SER 5 HG SER 5 3.514 3.219 -4.600 47 H ARG 6 HN ARG 6 7.176 0.288 -4.869 48 HA ARG 6 HA ARG 6 8.828 1.242 -2.809 49 HB2 ARG 6 HB2 ARG 6 9.176 -1.013 -2.486 50 HB3 ARG 6 HB1 ARG 6 7.646 -1.060 -3.477 51 HG2 ARG 6 HG2 ARG 6 9.015 -1.091 -5.504 52 HG3 ARG 6 HG1 ARG 6 10.488 -1.379 -4.495 53 HD2 ARG 6 HD2 ARG 6 7.931 -3.001 -4.161 54 HD3 ARG 6 HD1 ARG 6 9.243 -3.492 -5.321 55 HE ARG 6 HE ARG 6 10.349 -2.913 -2.698 56 HH11 ARG 6 HH11 ARG 6 8.530 -5.339 -4.573 57 HH12 ARG 6 HH12 ARG 6 9.047 -6.687 -3.619 58 HH21 ARG 6 HH21 ARG 6 11.055 -4.756 -1.407 59 HH22 ARG 6 HH22 ARG 6 10.501 -6.350 -1.791 60 H ILE 7 HN ILE 7 8.663 1.198 -6.126 61 HA ILE 7 HA ILE 7 11.418 1.023 -6.577 62 HB ILE 7 HB ILE 7 9.013 1.481 -8.244 63 HG12 ILE 7 HG12 ILE 7 10.927 -0.857 -8.187 64 HG13 ILE 7 HG11 ILE 7 9.573 -0.669 -7.016 65 HG21 ILE 7 HG21 ILE 7 10.643 1.073 -10.207 66 HG22 ILE 7 HG22 ILE 7 11.985 1.345 -9.033 67 HG23 ILE 7 HG23 ILE 7 10.806 2.669 -9.381 68 HD11 ILE 7 HD11 ILE 7 9.424 -1.650 -9.738 69 HD12 ILE 7 HD12 ILE 7 8.534 -0.076 -9.646 70 HD13 ILE 7 HD13 ILE 7 8.095 -1.422 -8.529 71 H ILE 8 HN ILE 8 8.944 3.228 -6.123 72 HA ILE 8 HA ILE 8 10.422 5.413 -7.277 73 HB ILE 8 HB ILE 8 8.353 5.520 -5.134 74 HG12 ILE 8 HG12 ILE 8 7.381 4.011 -6.556 75 HG13 ILE 8 HG11 ILE 8 6.629 5.572 -7.050 76 HG21 ILE 8 HG21 ILE 8 8.139 7.782 -5.734 77 HG22 ILE 8 HG22 ILE 8 8.379 7.449 -7.492 78 HG23 ILE 8 HG23 ILE 8 9.804 7.521 -6.383 79 HD11 ILE 8 HD11 ILE 8 7.164 4.380 -9.076 80 HD12 ILE 8 HD12 ILE 8 8.793 3.910 -8.449 81 HD13 ILE 8 HD13 ILE 8 8.465 5.632 -8.913 82 H LEU 9 HN LEU 9 9.620 3.933 -4.417 83 HA LEU 9 HA LEU 9 10.899 5.462 -2.617 84 HB2 LEU 9 HB2 LEU 9 9.825 2.882 -3.077 85 HB3 LEU 9 HB1 LEU 9 11.171 2.858 -1.886 86 HG LEU 9 HG LEU 9 9.062 4.929 -1.426 87 HD11 LEU 9 HD11 LEU 9 8.471 1.922 -1.076 88 HD12 LEU 9 HD12 LEU 9 7.653 3.043 -2.222 89 HD13 LEU 9 HD13 LEU 9 7.452 3.272 -0.444 90 HD21 LEU 9 HD21 LEU 9 9.826 4.721 0.735 91 HD22 LEU 9 HD22 LEU 9 11.218 3.874 -0.060 92 HD23 LEU 9 HD23 LEU 9 9.861 2.915 0.660 93 H ASP 10 HN ASP 10 11.921 3.086 -4.790 94 HA ASP 10 HA ASP 10 14.334 2.819 -3.428 95 HB2 ASP 10 HB2 ASP 10 12.997 2.145 -5.944 96 HB3 ASP 10 HB1 ASP 10 14.774 2.267 -6.125 97 H PHE 11 HN PHE 11 12.853 4.929 -5.759 98 HA PHE 11 HA PHE 11 15.366 6.114 -6.488 99 HB2 PHE 11 HB2 PHE 11 12.493 6.681 -7.168 100 HB3 PHE 11 HB1 PHE 11 13.918 7.447 -8.026 101 HD1 PHE 11 HD1 PHE 11 11.982 5.941 -9.572 102 HD2 PHE 11 HD2 PHE 11 15.265 4.585 -7.312 103 HE1 PHE 11 HE1 PHE 11 11.995 3.822 -10.724 104 HE2 PHE 11 HE2 PHE 11 15.259 2.593 -8.281 105 HZ PHE 11 HZ PHE 11 13.665 2.075 -10.163 106 H LEU 12 HN LEU 12 13.300 6.181 -4.103 107 HA LEU 12 HA LEU 12 13.373 8.944 -3.799 108 HB2 LEU 12 HB2 LEU 12 12.257 6.597 -2.464 109 HB3 LEU 12 HB1 LEU 12 12.211 8.202 -1.620 110 HG LEU 12 HG LEU 12 11.238 7.598 -4.362 111 HD11 LEU 12 HD11 LEU 12 10.103 6.934 -1.829 112 HD12 LEU 12 HD12 LEU 12 9.441 6.633 -3.474 113 HD13 LEU 12 HD13 LEU 12 9.036 8.171 -2.604 114 HD21 LEU 12 HD21 LEU 12 9.912 9.891 -3.545 115 HD22 LEU 12 HD22 LEU 12 11.405 9.827 -4.568 116 HD23 LEU 12 HD23 LEU 12 11.544 10.068 -2.783 117 H PHE 13 HN PHE 13 14.529 5.995 -2.501 118 HA PHE 13 HA PHE 13 16.248 7.564 -0.705 119 HB2 PHE 13 HB2 PHE 13 14.931 4.920 -0.134 120 HB3 PHE 13 HB1 PHE 13 15.770 5.988 1.084 121 HD1 PHE 13 HD1 PHE 13 13.032 5.029 -0.664 122 HD2 PHE 13 HD2 PHE 13 14.543 8.216 1.576 123 HE1 PHE 13 HE1 PHE 13 10.969 5.862 -0.633 124 HE2 PHE 13 HE2 PHE 13 12.286 9.129 1.739 125 HZ PHE 13 HZ PHE 13 10.397 7.949 0.650 126 H DLE 14 HN DLE 14 15.649 4.777 -2.741 127 HA DLE 14 HA DLE 14 18.295 4.012 -2.045 128 HB2 DLE 14 HB2 DLE 14 17.724 4.742 -4.570 129 HB3 DLE 14 HB1 DLE 14 19.068 3.647 -4.088 130 HG DLE 14 HG DLE 14 16.368 2.444 -4.516 131 HD11 DLE 14 HD11 DLE 14 18.118 3.282 -6.878 132 HD12 DLE 14 HD12 DLE 14 16.728 4.265 -6.260 133 HD13 DLE 14 HD13 DLE 14 16.455 2.594 -6.891 134 HD21 DLE 14 HD21 DLE 14 18.984 1.511 -4.109 135 HD22 DLE 14 HD22 DLE 14 18.691 1.232 -5.876 136 HD23 DLE 14 HD23 DLE 14 17.556 0.551 -4.639 137 H ARG 15 HN ARG 15 15.521 3.577 -1.163 138 HA ARG 15 HA ARG 15 14.838 1.977 0.214 139 HB2 ARG 15 HB2 ARG 15 15.059 0.602 -2.455 140 HB3 ARG 15 HB1 ARG 15 14.357 -0.249 -1.027 141 HG2 ARG 15 HG2 ARG 15 13.448 2.583 -1.611 142 HG3 ARG 15 HG1 ARG 15 12.820 1.250 -2.667 143 HD2 ARG 15 HD2 ARG 15 12.815 1.009 0.401 144 HD3 ARG 15 HD1 ARG 15 11.454 1.823 -0.486 145 HE ARG 15 HE ARG 15 11.902 -0.601 -1.840 146 HH11 ARG 15 HH11 ARG 15 11.073 0.493 1.449 147 HH12 ARG 15 HH12 ARG 15 10.140 -0.907 1.856 148 HH21 ARG 15 HH21 ARG 15 10.624 -2.521 -1.280 149 HH22 ARG 15 HH22 ARG 15 9.881 -2.649 0.278 150 H LYS 16 HN LYS 16 17.394 2.605 0.043 151 HA LYS 16 HA LYS 16 18.885 0.193 0.709 152 HB2 LYS 16 HB2 LYS 16 20.906 1.374 0.007 153 HB3 LYS 16 HB1 LYS 16 19.683 1.583 -1.304 154 HG2 LYS 16 HG2 LYS 16 19.040 3.807 -0.280 155 HG3 LYS 16 HG1 LYS 16 20.396 3.623 0.884 156 HD2 LYS 16 HD2 LYS 16 22.017 4.038 -0.724 157 HD3 LYS 16 HD1 LYS 16 21.072 3.270 -2.045 158 HE2 LYS 16 HE2 LYS 16 19.647 5.263 -2.301 159 HE3 LYS 16 HE1 LYS 16 20.333 6.009 -0.800 160 HZ1 LYS 16 HZ1 LYS 16 22.209 5.237 -2.911 161 HZ2 LYS 16 HZ2 LYS 16 22.224 6.563 -1.851 162 HZ3 LYS 16 HZ3 LYS 16 21.198 6.570 -3.204 163 H LYS 17 HN LYS 17 17.032 2.474 2.058 164 HA LYS 17 HA LYS 17 18.855 2.671 4.302 165 HB2 LYS 17 HB2 LYS 17 17.079 4.914 3.210 166 HB3 LYS 17 HB1 LYS 17 17.988 4.992 4.766 167 HG2 LYS 17 HG2 LYS 17 20.135 4.676 3.513 168 HG3 LYS 17 HG1 LYS 17 19.213 4.622 1.972 169 HD2 LYS 17 HD2 LYS 17 18.387 6.951 2.380 170 HD3 LYS 17 HD1 LYS 17 19.289 7.006 3.933 171 HE2 LYS 17 HE2 LYS 17 21.458 6.746 2.692 172 HE3 LYS 17 HE1 LYS 17 20.548 6.681 1.125 173 HZ1 LYS 17 HZ1 LYS 17 20.232 8.855 1.156 174 HZ2 LYS 17 HZ2 LYS 17 21.509 8.896 2.275 175 HZ3 LYS 17 HZ3 LYS 17 19.902 8.932 2.820 Start of MODEL 13 1 H1 GLU 1 HT1 GLU 1 6.866 -9.200 -10.170 2 H2 GLU 1 HT2 GLU 1 7.069 -7.555 -9.805 3 H3 GLU 1 HT3 GLU 1 5.557 -8.297 -9.575 4 HA GLU 1 HA GLU 1 6.134 -9.292 -7.680 5 HB2 GLU 1 HB2 GLU 1 8.464 -10.008 -7.107 6 HB3 GLU 1 HB1 GLU 1 7.941 -10.657 -8.700 7 HG2 GLU 1 HG2 GLU 1 9.192 -8.781 -9.861 8 HG3 GLU 1 HG1 GLU 1 9.767 -8.197 -8.248 9 H MET 2 HN MET 2 6.099 -6.347 -8.482 10 HA MET 2 HA MET 2 7.154 -5.384 -5.951 11 HB2 MET 2 HB2 MET 2 7.889 -3.138 -7.276 12 HB3 MET 2 HB1 MET 2 9.087 -4.533 -7.114 13 HG2 MET 2 HG2 MET 2 7.219 -4.634 -9.494 14 HG3 MET 2 HG1 MET 2 8.477 -3.368 -9.501 15 HE1 MET 2 HE1 MET 2 10.982 -3.808 -10.332 16 HE2 MET 2 HE2 MET 2 11.821 -5.073 -9.371 17 HE3 MET 2 HE3 MET 2 10.782 -3.860 -8.546 18 H ARG 3 HN ARG 3 6.624 -3.583 -5.352 19 HA ARG 3 HA ARG 3 4.507 -2.507 -6.821 20 HB2 ARG 3 HB2 ARG 3 4.985 -2.779 -3.965 21 HB3 ARG 3 HB1 ARG 3 4.413 -1.125 -4.503 22 HG2 ARG 3 HG2 ARG 3 2.377 -2.319 -4.379 23 HG3 ARG 3 HG1 ARG 3 2.895 -2.422 -6.120 24 HD2 ARG 3 HD2 ARG 3 3.515 -4.684 -5.968 25 HD3 ARG 3 HD1 ARG 3 3.630 -4.665 -4.146 26 HE ARG 3 HE ARG 3 0.928 -4.025 -4.883 27 HH11 ARG 3 HH11 ARG 3 3.284 -6.691 -5.040 28 HH12 ARG 3 HH12 ARG 3 2.099 -7.950 -4.958 29 HH21 ARG 3 HH21 ARG 3 -0.687 -5.735 -4.772 30 HH22 ARG 3 HH22 ARG 3 -0.201 -7.396 -4.804 31 H ILE 4 HN ILE 4 4.897 -1.153 -8.017 32 HA ILE 4 HA ILE 4 7.267 -0.311 -8.669 33 HB ILE 4 HB ILE 4 4.907 1.396 -9.011 34 HG12 ILE 4 HG12 ILE 4 3.849 -0.693 -9.307 35 HG13 ILE 4 HG11 ILE 4 4.369 -0.275 -10.987 36 HG21 ILE 4 HG21 ILE 4 7.324 0.634 -10.735 37 HG22 ILE 4 HG22 ILE 4 6.934 2.238 -9.997 38 HG23 ILE 4 HG23 ILE 4 5.921 1.592 -11.349 39 HD11 ILE 4 HD11 ILE 4 5.408 -2.331 -11.055 40 HD12 ILE 4 HD12 ILE 4 5.132 -2.582 -9.279 41 HD13 ILE 4 HD13 ILE 4 6.609 -1.697 -9.853 42 H SER 5 HN SER 5 5.555 0.451 -6.138 43 HA SER 5 HA SER 5 6.048 3.047 -5.747 44 HB2 SER 5 HB2 SER 5 5.502 0.751 -3.930 45 HB3 SER 5 HB1 SER 5 5.465 2.480 -3.351 46 HG SER 5 HG SER 5 3.607 2.786 -4.327 47 H ARG 6 HN ARG 6 7.368 0.130 -4.931 48 HA ARG 6 HA ARG 6 9.056 0.972 -2.887 49 HB2 ARG 6 HB2 ARG 6 9.498 -1.305 -2.814 50 HB3 ARG 6 HB1 ARG 6 7.903 -1.289 -3.708 51 HG2 ARG 6 HG2 ARG 6 9.078 -1.150 -5.823 52 HG3 ARG 6 HG1 ARG 6 10.673 -1.347 -4.978 53 HD2 ARG 6 HD2 ARG 6 8.316 -3.243 -4.606 54 HD3 ARG 6 HD1 ARG 6 9.649 -3.507 -5.822 55 HE ARG 6 HE ARG 6 10.850 -3.006 -3.269 56 HH11 ARG 6 HH11 ARG 6 8.876 -5.431 -4.978 57 HH12 ARG 6 HH12 ARG 6 9.459 -6.779 -4.061 58 HH21 ARG 6 HH21 ARG 6 11.651 -4.848 -2.026 59 HH22 ARG 6 HH22 ARG 6 11.059 -6.441 -2.357 60 H ILE 7 HN ILE 7 8.884 1.128 -6.262 61 HA ILE 7 HA ILE 7 11.670 1.109 -6.572 62 HB ILE 7 HB ILE 7 9.405 1.374 -8.452 63 HG12 ILE 7 HG12 ILE 7 11.406 -0.852 -8.397 64 HG13 ILE 7 HG11 ILE 7 10.274 -0.697 -7.005 65 HG21 ILE 7 HG21 ILE 7 12.441 1.463 -8.915 66 HG22 ILE 7 HG22 ILE 7 11.193 2.651 -9.454 67 HG23 ILE 7 HG23 ILE 7 11.275 1.017 -10.219 68 HD11 ILE 7 HD11 ILE 7 8.534 -1.485 -8.202 69 HD12 ILE 7 HD12 ILE 7 9.709 -1.906 -9.519 70 HD13 ILE 7 HD13 ILE 7 8.841 -0.318 -9.546 71 H ILE 8 HN ILE 8 9.093 3.130 -6.136 72 HA ILE 8 HA ILE 8 10.450 5.424 -7.234 73 HB ILE 8 HB ILE 8 8.363 5.383 -5.107 74 HG12 ILE 8 HG12 ILE 8 7.448 3.866 -6.559 75 HG13 ILE 8 HG11 ILE 8 6.650 5.405 -7.044 76 HG21 ILE 8 HG21 ILE 8 8.022 7.640 -5.682 77 HG22 ILE 8 HG22 ILE 8 8.336 7.353 -7.437 78 HG23 ILE 8 HG23 ILE 8 9.719 7.477 -6.280 79 HD11 ILE 8 HD11 ILE 8 7.255 4.269 -9.079 80 HD12 ILE 8 HD12 ILE 8 8.892 3.846 -8.442 81 HD13 ILE 8 HD13 ILE 8 8.505 5.562 -8.877 82 H LEU 9 HN LEU 9 9.720 3.811 -4.430 83 HA LEU 9 HA LEU 9 10.893 5.351 -2.565 84 HB2 LEU 9 HB2 LEU 9 9.985 2.724 -3.120 85 HB3 LEU 9 HB1 LEU 9 11.330 2.743 -1.928 86 HG LEU 9 HG LEU 9 9.089 4.651 -1.396 87 HD11 LEU 9 HD11 LEU 9 7.828 2.682 -2.270 88 HD12 LEU 9 HD12 LEU 9 7.580 2.873 -0.496 89 HD13 LEU 9 HD13 LEU 9 8.699 1.603 -1.126 90 HD21 LEU 9 HD21 LEU 9 11.312 3.686 -0.066 91 HD22 LEU 9 HD22 LEU 9 10.013 2.623 0.620 92 HD23 LEU 9 HD23 LEU 9 9.873 4.420 0.756 93 H ASP 10 HN ASP 10 12.080 3.120 -4.810 94 HA ASP 10 HA ASP 10 14.497 2.977 -3.441 95 HB2 ASP 10 HB2 ASP 10 13.234 2.294 -5.988 96 HB3 ASP 10 HB1 ASP 10 15.001 2.557 -6.149 97 H PHE 11 HN PHE 11 12.892 5.064 -5.703 98 HA PHE 11 HA PHE 11 15.326 6.432 -6.375 99 HB2 PHE 11 HB2 PHE 11 12.423 6.830 -7.054 100 HB3 PHE 11 HB1 PHE 11 13.795 7.725 -7.872 101 HD1 PHE 11 HD1 PHE 11 11.987 6.168 -9.502 102 HD2 PHE 11 HD2 PHE 11 15.317 4.920 -7.246 103 HE1 PHE 11 HE1 PHE 11 12.145 4.102 -10.738 104 HE2 PHE 11 HE2 PHE 11 15.446 2.976 -8.293 105 HZ PHE 11 HZ PHE 11 13.913 2.438 -10.221 106 H LEU 12 HN LEU 12 13.249 6.276 -4.002 107 HA LEU 12 HA LEU 12 13.144 9.026 -3.595 108 HB2 LEU 12 HB2 LEU 12 12.173 6.564 -2.356 109 HB3 LEU 12 HB1 LEU 12 12.017 8.131 -1.455 110 HG LEU 12 HG LEU 12 11.103 7.559 -4.225 111 HD11 LEU 12 HD11 LEU 12 10.002 6.729 -1.730 112 HD12 LEU 12 HD12 LEU 12 9.357 6.461 -3.387 113 HD13 LEU 12 HD13 LEU 12 8.863 7.933 -2.453 114 HD21 LEU 12 HD21 LEU 12 9.633 9.742 -3.285 115 HD22 LEU 12 HD22 LEU 12 11.071 9.792 -4.383 116 HD23 LEU 12 HD23 LEU 12 11.290 9.993 -2.602 117 H PHE 13 HN PHE 13 14.479 6.108 -2.399 118 HA PHE 13 HA PHE 13 16.092 7.710 -0.537 119 HB2 PHE 13 HB2 PHE 13 14.946 4.969 -0.077 120 HB3 PHE 13 HB1 PHE 13 15.712 6.040 1.186 121 HD1 PHE 13 HD1 PHE 13 13.044 4.979 -0.615 122 HD2 PHE 13 HD2 PHE 13 14.340 8.163 1.760 123 HE1 PHE 13 HE1 PHE 13 10.930 5.678 -0.565 124 HE2 PHE 13 HE2 PHE 13 12.028 8.925 1.945 125 HZ PHE 13 HZ PHE 13 10.223 7.672 0.797 126 H DLE 14 HN DLE 14 15.669 4.963 -2.669 127 HA DLE 14 HA DLE 14 18.353 4.331 -1.988 128 HB2 DLE 14 HB2 DLE 14 17.758 5.165 -4.484 129 HB3 DLE 14 HB1 DLE 14 19.173 4.146 -4.037 130 HG DLE 14 HG DLE 14 16.579 2.768 -4.569 131 HD11 DLE 14 HD11 DLE 14 18.275 3.856 -6.866 132 HD12 DLE 14 HD12 DLE 14 16.821 4.711 -6.207 133 HD13 DLE 14 HD13 DLE 14 16.661 3.061 -6.923 134 HD21 DLE 14 HD21 DLE 14 17.911 0.981 -4.814 135 HD22 DLE 14 HD22 DLE 14 19.234 2.008 -4.153 136 HD23 DLE 14 HD23 DLE 14 19.030 1.839 -5.947 137 H ARG 15 HN ARG 15 15.619 3.684 -1.144 138 HA ARG 15 HA ARG 15 15.026 1.960 0.121 139 HB2 ARG 15 HB2 ARG 15 15.325 0.766 -2.629 140 HB3 ARG 15 HB1 ARG 15 14.680 -0.212 -1.254 141 HG2 ARG 15 HG2 ARG 15 13.603 2.592 -1.658 142 HG3 ARG 15 HG1 ARG 15 13.049 1.294 -2.794 143 HD2 ARG 15 HD2 ARG 15 13.074 0.824 0.242 144 HD3 ARG 15 HD1 ARG 15 11.680 1.672 -0.557 145 HE ARG 15 HE ARG 15 12.184 -0.619 -2.117 146 HH11 ARG 15 HH11 ARG 15 11.342 0.177 1.254 147 HH12 ARG 15 HH12 ARG 15 10.437 -1.271 1.542 148 HH21 ARG 15 HH21 ARG 15 10.941 -2.604 -1.720 149 HH22 ARG 15 HH22 ARG 15 10.206 -2.877 -0.176 150 H LYS 16 HN LYS 16 17.539 2.747 0.005 151 HA LYS 16 HA LYS 16 19.170 0.391 0.527 152 HB2 LYS 16 HB2 LYS 16 21.116 1.730 -0.095 153 HB3 LYS 16 HB1 LYS 16 19.884 1.948 -1.394 154 HG2 LYS 16 HG2 LYS 16 19.111 4.066 -0.241 155 HG3 LYS 16 HG1 LYS 16 20.479 3.890 0.915 156 HD2 LYS 16 HD2 LYS 16 22.073 4.490 -0.662 157 HD3 LYS 16 HD1 LYS 16 21.170 3.750 -2.029 158 HE2 LYS 16 HE2 LYS 16 19.637 5.671 -2.172 159 HE3 LYS 16 HE1 LYS 16 20.282 6.365 -0.627 160 HZ1 LYS 16 HZ1 LYS 16 22.253 5.826 -2.698 161 HZ2 LYS 16 HZ2 LYS 16 22.077 7.155 -1.654 162 HZ3 LYS 16 HZ3 LYS 16 21.120 7.040 -3.053 163 H LYS 17 HN LYS 17 17.175 2.459 1.999 164 HA LYS 17 HA LYS 17 18.971 2.630 4.265 165 HB2 LYS 17 HB2 LYS 17 17.077 4.833 3.295 166 HB3 LYS 17 HB1 LYS 17 17.977 4.869 4.858 167 HG2 LYS 17 HG2 LYS 17 20.140 4.738 3.598 168 HG3 LYS 17 HG1 LYS 17 19.224 4.733 2.053 169 HD2 LYS 17 HD2 LYS 17 18.268 6.987 2.617 170 HD3 LYS 17 HD1 LYS 17 19.196 6.994 4.155 171 HE2 LYS 17 HE2 LYS 17 20.459 6.847 1.334 172 HE3 LYS 17 HE1 LYS 17 20.332 8.342 2.351 173 HZ1 LYS 17 HZ1 LYS 17 22.168 6.156 2.501 174 HZ2 LYS 17 HZ2 LYS 17 21.442 6.481 4.001 175 HZ3 LYS 17 HZ3 LYS 17 22.256 7.716 3.165 Start of MODEL 14 1 H1 GLU 1 HT1 GLU 1 4.780 -7.277 -2.176 2 H2 GLU 1 HT2 GLU 1 6.393 -6.777 -1.991 3 H3 GLU 1 HT3 GLU 1 5.998 -8.426 -1.890 4 HA GLU 1 HA GLU 1 7.048 -7.690 -4.000 5 HB2 GLU 1 HB2 GLU 1 5.252 -9.691 -3.491 6 HB3 GLU 1 HB1 GLU 1 4.290 -8.748 -4.679 7 HG2 GLU 1 HG2 GLU 1 5.487 -10.431 -5.952 8 HG3 GLU 1 HG1 GLU 1 6.347 -8.871 -6.264 9 H MET 2 HN MET 2 7.241 -5.732 -5.050 10 HA MET 2 HA MET 2 4.771 -4.670 -6.203 11 HB2 MET 2 HB2 MET 2 6.520 -3.196 -4.231 12 HB3 MET 2 HB1 MET 2 6.092 -2.305 -5.748 13 HG2 MET 2 HG2 MET 2 3.849 -2.202 -5.253 14 HG3 MET 2 HG1 MET 2 3.839 -3.730 -4.309 15 HE1 MET 2 HE1 MET 2 4.142 -4.117 -2.138 16 HE2 MET 2 HE2 MET 2 4.648 -3.021 -0.806 17 HE3 MET 2 HE3 MET 2 5.863 -3.619 -1.987 18 H ARG 3 HN ARG 3 5.225 -2.900 -7.441 19 HA ARG 3 HA ARG 3 7.318 -3.468 -9.263 20 HB2 ARG 3 HB2 ARG 3 4.473 -2.708 -9.363 21 HB3 ARG 3 HB1 ARG 3 5.473 -1.667 -10.409 22 HG2 ARG 3 HG2 ARG 3 6.325 -3.436 -11.606 23 HG3 ARG 3 HG1 ARG 3 5.731 -4.657 -10.409 24 HD2 ARG 3 HD2 ARG 3 3.380 -4.166 -11.022 25 HD3 ARG 3 HD1 ARG 3 3.928 -2.838 -12.137 26 HE ARG 3 HE ARG 3 5.278 -5.208 -12.957 27 HH11 ARG 3 HH11 ARG 3 1.959 -3.961 -12.620 28 HH12 ARG 3 HH12 ARG 3 1.310 -4.893 -13.927 29 HH21 ARG 3 HH21 ARG 3 4.397 -6.477 -14.737 30 HH22 ARG 3 HH22 ARG 3 2.721 -6.349 -15.150 31 H ILE 4 HN ILE 4 6.859 -1.007 -10.453 32 HA ILE 4 HA ILE 4 8.716 0.541 -9.931 33 HB ILE 4 HB ILE 4 6.897 2.434 -10.219 34 HG12 ILE 4 HG12 ILE 4 4.882 1.560 -11.294 35 HG13 ILE 4 HG11 ILE 4 5.512 -0.117 -11.237 36 HG21 ILE 4 HG21 ILE 4 7.813 0.339 -12.296 37 HG22 ILE 4 HG22 ILE 4 8.668 1.870 -11.858 38 HG23 ILE 4 HG23 ILE 4 7.079 1.935 -12.710 39 HD11 ILE 4 HD11 ILE 4 5.038 1.503 -8.665 40 HD12 ILE 4 HD12 ILE 4 5.185 -0.295 -8.823 41 HD13 ILE 4 HD13 ILE 4 3.714 0.561 -9.443 42 H SER 5 HN SER 5 6.354 -0.027 -7.648 43 HA SER 5 HA SER 5 6.210 2.306 -6.253 44 HB2 SER 5 HB2 SER 5 6.203 -0.548 -5.392 45 HB3 SER 5 HB1 SER 5 5.701 0.816 -4.308 46 HG SER 5 HG SER 5 3.817 0.628 -5.164 47 H ARG 6 HN ARG 6 8.189 -0.407 -6.391 48 HA ARG 6 HA ARG 6 9.678 -0.021 -4.056 49 HB2 ARG 6 HB2 ARG 6 10.811 -1.961 -4.869 50 HB3 ARG 6 HB1 ARG 6 9.082 -2.127 -5.404 51 HG2 ARG 6 HG2 ARG 6 9.799 -0.827 -7.491 52 HG3 ARG 6 HG1 ARG 6 11.492 -1.307 -7.029 53 HD2 ARG 6 HD2 ARG 6 9.131 -3.230 -7.271 54 HD3 ARG 6 HD1 ARG 6 10.354 -2.933 -8.592 55 HE ARG 6 HE ARG 6 11.700 -3.556 -6.098 56 HH11 ARG 6 HH11 ARG 6 9.730 -5.011 -8.686 57 HH12 ARG 6 HH12 ARG 6 10.419 -6.592 -8.539 58 HH21 ARG 6 HH21 ARG 6 12.639 -5.713 -5.895 59 HH22 ARG 6 HH22 ARG 6 12.100 -6.998 -6.922 60 H ILE 7 HN ILE 7 9.451 1.182 -7.214 61 HA ILE 7 HA ILE 7 12.176 1.873 -7.282 62 HB ILE 7 HB ILE 7 9.947 2.028 -9.226 63 HG12 ILE 7 HG12 ILE 7 12.579 0.570 -9.514 64 HG13 ILE 7 HG11 ILE 7 11.420 0.011 -8.261 65 HG21 ILE 7 HG21 ILE 7 11.765 2.794 -10.867 66 HG22 ILE 7 HG22 ILE 7 12.835 3.084 -9.441 67 HG23 ILE 7 HG23 ILE 7 11.304 4.024 -9.628 68 HD11 ILE 7 HD11 ILE 7 10.253 0.506 -10.989 69 HD12 ILE 7 HD12 ILE 7 9.905 -0.788 -9.770 70 HD13 ILE 7 HD13 ILE 7 11.371 -0.908 -10.835 71 H ILE 8 HN ILE 8 9.191 3.056 -6.514 72 HA ILE 8 HA ILE 8 10.003 5.809 -6.786 73 HB ILE 8 HB ILE 8 7.991 4.697 -4.891 74 HG12 ILE 8 HG12 ILE 8 7.366 3.588 -6.779 75 HG13 ILE 8 HG11 ILE 8 6.294 5.028 -6.823 76 HG21 ILE 8 HG21 ILE 8 7.239 6.903 -4.699 77 HG22 ILE 8 HG22 ILE 8 7.466 7.246 -6.456 78 HG23 ILE 8 HG23 ILE 8 8.880 7.297 -5.334 79 HD11 ILE 8 HD11 ILE 8 8.004 6.091 -8.433 80 HD12 ILE 8 HD12 ILE 8 7.152 4.630 -9.074 81 HD13 ILE 8 HD13 ILE 8 8.846 4.490 -8.461 82 H LEU 9 HN LEU 9 9.672 3.312 -4.651 83 HA LEU 9 HA LEU 9 10.466 4.415 -2.327 84 HB2 LEU 9 HB2 LEU 9 10.179 1.961 -3.731 85 HB3 LEU 9 HB1 LEU 9 11.444 1.886 -2.461 86 HG LEU 9 HG LEU 9 8.689 2.951 -1.779 87 HD11 LEU 9 HD11 LEU 9 8.028 0.534 -1.195 88 HD12 LEU 9 HD12 LEU 9 9.456 -0.009 -2.161 89 HD13 LEU 9 HD13 LEU 9 8.118 0.892 -2.960 90 HD21 LEU 9 HD21 LEU 9 9.470 2.735 0.354 91 HD22 LEU 9 HD22 LEU 9 11.098 2.526 -0.418 92 HD23 LEU 9 HD23 LEU 9 10.115 1.076 0.043 93 H ASP 10 HN ASP 10 12.124 3.302 -5.066 94 HA ASP 10 HA ASP 10 14.504 3.360 -3.591 95 HB2 ASP 10 HB2 ASP 10 13.497 3.096 -6.316 96 HB3 ASP 10 HB1 ASP 10 15.153 3.798 -6.238 97 H PHE 11 HN PHE 11 12.424 5.545 -5.321 98 HA PHE 11 HA PHE 11 14.465 7.555 -5.435 99 HB2 PHE 11 HB2 PHE 11 11.533 7.493 -6.083 100 HB3 PHE 11 HB1 PHE 11 12.650 8.877 -6.527 101 HD1 PHE 11 HD1 PHE 11 11.228 7.518 -8.646 102 HD2 PHE 11 HD2 PHE 11 14.806 6.409 -6.680 103 HE1 PHE 11 HE1 PHE 11 11.840 6.018 -10.432 104 HE2 PHE 11 HE2 PHE 11 15.346 4.961 -8.262 105 HZ PHE 11 HZ PHE 11 13.947 4.714 -10.340 106 H LEU 12 HN LEU 12 12.589 6.224 -3.294 107 HA LEU 12 HA LEU 12 11.940 8.624 -2.033 108 HB2 LEU 12 HB2 LEU 12 11.498 5.751 -1.669 109 HB3 LEU 12 HB1 LEU 12 11.067 6.910 -0.340 110 HG LEU 12 HG LEU 12 10.226 7.084 -3.181 111 HD11 LEU 12 HD11 LEU 12 8.777 5.436 -2.822 112 HD12 LEU 12 HD12 LEU 12 7.995 6.400 -1.502 113 HD13 LEU 12 HD13 LEU 12 9.375 5.287 -1.133 114 HD21 LEU 12 HD21 LEU 12 9.750 9.192 -2.588 115 HD22 LEU 12 HD22 LEU 12 9.953 8.821 -0.832 116 HD23 LEU 12 HD23 LEU 12 8.369 8.499 -1.649 117 H PHE 13 HN PHE 13 13.886 5.775 -1.827 118 HA PHE 13 HA PHE 13 15.286 7.031 0.444 119 HB2 PHE 13 HB2 PHE 13 14.607 4.109 0.134 120 HB3 PHE 13 HB1 PHE 13 15.297 4.900 1.625 121 HD1 PHE 13 HD1 PHE 13 12.717 4.051 -0.411 122 HD2 PHE 13 HD2 PHE 13 13.666 6.430 2.885 123 HE1 PHE 13 HE1 PHE 13 10.551 4.348 -0.132 124 HE2 PHE 13 HE2 PHE 13 11.280 6.715 3.320 125 HZ PHE 13 HZ PHE 13 9.617 5.642 1.821 126 H DLE 14 HN DLE 14 15.215 4.971 -2.424 127 HA DLE 14 HA DLE 14 18.072 4.767 -2.110 128 HB2 DLE 14 HB2 DLE 14 18.298 4.034 -4.419 129 HB3 DLE 14 HB1 DLE 14 16.513 4.284 -4.620 130 HG DLE 14 HG DLE 14 16.910 6.561 -3.698 131 HD11 DLE 14 HD11 DLE 14 18.999 7.301 -3.229 132 HD12 DLE 14 HD12 DLE 14 19.729 6.513 -4.685 133 HD13 DLE 14 HD13 DLE 14 19.387 5.533 -3.187 134 HD21 DLE 14 HD21 DLE 14 16.697 7.310 -5.816 135 HD22 DLE 14 HD22 DLE 14 16.740 5.555 -6.231 136 HD23 DLE 14 HD23 DLE 14 18.249 6.552 -6.362 137 H ARG 15 HN ARG 15 15.685 3.454 -1.118 138 HA ARG 15 HA ARG 15 15.486 1.499 -0.294 139 HB2 ARG 15 HB2 ARG 15 15.829 0.898 -3.237 140 HB3 ARG 15 HB1 ARG 15 15.271 -0.366 -2.062 141 HG2 ARG 15 HG2 ARG 15 13.953 2.364 -1.938 142 HG3 ARG 15 HG1 ARG 15 13.533 1.295 -3.341 143 HD2 ARG 15 HD2 ARG 15 13.625 0.084 -0.532 144 HD3 ARG 15 HD1 ARG 15 12.187 1.075 -1.018 145 HE ARG 15 HE ARG 15 12.641 -0.645 -3.183 146 HH11 ARG 15 HH11 ARG 15 12.046 -0.943 0.319 147 HH12 ARG 15 HH12 ARG 15 11.250 -2.478 0.216 148 HH21 ARG 15 HH21 ARG 15 11.558 -2.747 -3.321 149 HH22 ARG 15 HH22 ARG 15 10.969 -3.520 -1.889 150 H LYS 16 HN LYS 16 17.832 2.723 -0.368 151 HA LYS 16 HA LYS 16 19.908 0.723 -0.573 152 HB2 LYS 16 HB2 LYS 16 21.473 2.674 -0.518 153 HB3 LYS 16 HB1 LYS 16 20.287 2.790 -1.879 154 HG2 LYS 16 HG2 LYS 16 18.851 4.260 -0.556 155 HG3 LYS 16 HG1 LYS 16 19.956 4.144 0.854 156 HD2 LYS 16 HD2 LYS 16 21.678 5.390 -0.264 157 HD3 LYS 16 HD1 LYS 16 20.912 5.176 -1.876 158 HE2 LYS 16 HE2 LYS 16 19.010 6.650 -1.224 159 HE3 LYS 16 HE1 LYS 16 19.684 6.806 0.455 160 HZ1 LYS 16 HZ1 LYS 16 21.234 7.558 -1.964 161 HZ2 LYS 16 HZ2 LYS 16 21.513 7.987 -0.345 162 HZ3 LYS 16 HZ3 LYS 16 20.180 8.632 -1.177 163 H LYS 17 HN LYS 17 17.708 1.977 1.533 164 HA LYS 17 HA LYS 17 19.610 1.730 3.712 165 HB2 LYS 17 HB2 LYS 17 17.102 3.432 3.922 166 HB3 LYS 17 HB1 LYS 17 18.591 3.501 4.933 167 HG2 LYS 17 HG2 LYS 17 19.853 4.267 2.836 168 HG3 LYS 17 HG1 LYS 17 18.260 4.412 2.017 169 HD2 LYS 17 HD2 LYS 17 19.002 5.868 4.636 170 HD3 LYS 17 HD1 LYS 17 19.175 6.585 2.997 171 HE2 LYS 17 HE2 LYS 17 16.690 6.299 2.625 172 HE3 LYS 17 HE1 LYS 17 16.535 5.635 4.305 173 HZ1 LYS 17 HZ1 LYS 17 17.965 8.001 4.487 174 HZ2 LYS 17 HZ2 LYS 17 16.372 7.690 4.987 175 HZ3 LYS 17 HZ3 LYS 17 16.670 8.313 3.434 Start of MODEL 15 1 H1 GLU 1 HT1 GLU 1 6.088 -8.675 -10.117 2 H2 GLU 1 HT2 GLU 1 7.712 -9.171 -10.077 3 H3 GLU 1 HT3 GLU 1 7.318 -7.540 -9.821 4 HA GLU 1 HA GLU 1 5.872 -9.031 -7.993 5 HB2 GLU 1 HB2 GLU 1 8.887 -9.639 -7.992 6 HB3 GLU 1 HB1 GLU 1 7.733 -10.120 -6.699 7 HG2 GLU 1 HG2 GLU 1 7.555 -11.076 -9.640 8 HG3 GLU 1 HG1 GLU 1 8.304 -12.015 -8.291 9 H MET 2 HN MET 2 5.987 -6.338 -8.474 10 HA MET 2 HA MET 2 7.171 -5.391 -6.003 11 HB2 MET 2 HB2 MET 2 7.861 -3.139 -7.349 12 HB3 MET 2 HB1 MET 2 9.062 -4.533 -7.221 13 HG2 MET 2 HG2 MET 2 7.111 -4.558 -9.553 14 HG3 MET 2 HG1 MET 2 8.458 -3.387 -9.584 15 HE1 MET 2 HE1 MET 2 11.531 -5.288 -8.941 16 HE2 MET 2 HE2 MET 2 10.575 -3.767 -8.966 17 HE3 MET 2 HE3 MET 2 11.242 -4.433 -10.497 18 H ARG 3 HN ARG 3 6.686 -3.589 -5.376 19 HA ARG 3 HA ARG 3 4.510 -2.492 -6.739 20 HB2 ARG 3 HB2 ARG 3 5.114 -2.790 -3.911 21 HB3 ARG 3 HB1 ARG 3 4.544 -1.123 -4.407 22 HG2 ARG 3 HG2 ARG 3 2.498 -2.282 -4.204 23 HG3 ARG 3 HG1 ARG 3 2.936 -2.380 -5.967 24 HD2 ARG 3 HD2 ARG 3 3.567 -4.652 -5.842 25 HD3 ARG 3 HD1 ARG 3 3.687 -4.654 -4.023 26 HE ARG 3 HE ARG 3 1.208 -4.895 -5.643 27 HH11 ARG 3 HH11 ARG 3 2.701 -4.135 -2.496 28 HH12 ARG 3 HH12 ARG 3 1.279 -4.473 -1.568 29 HH21 ARG 3 HH21 ARG 3 -0.723 -5.351 -4.378 30 HH22 ARG 3 HH22 ARG 3 -0.699 -5.175 -2.656 31 H ILE 4 HN ILE 4 4.859 -1.128 -7.949 32 HA ILE 4 HA ILE 4 7.218 -0.279 -8.665 33 HB ILE 4 HB ILE 4 4.850 1.432 -8.936 34 HG12 ILE 4 HG12 ILE 4 3.781 -0.659 -9.195 35 HG13 ILE 4 HG11 ILE 4 4.236 -0.230 -10.892 36 HG21 ILE 4 HG21 ILE 4 5.794 1.659 -11.285 37 HG22 ILE 4 HG22 ILE 4 7.189 0.641 -10.759 38 HG23 ILE 4 HG23 ILE 4 6.886 2.239 -9.968 39 HD11 ILE 4 HD11 ILE 4 6.515 -1.664 -9.841 40 HD12 ILE 4 HD12 ILE 4 5.278 -2.280 -11.014 41 HD13 ILE 4 HD13 ILE 4 5.051 -2.551 -9.234 42 H SER 5 HN SER 5 5.563 0.440 -6.090 43 HA SER 5 HA SER 5 6.055 3.031 -5.680 44 HB2 SER 5 HB2 SER 5 5.537 0.715 -3.885 45 HB3 SER 5 HB1 SER 5 5.510 2.437 -3.282 46 HG SER 5 HG SER 5 3.733 2.840 -4.533 47 H ARG 6 HN ARG 6 7.397 0.104 -4.916 48 HA ARG 6 HA ARG 6 9.127 0.931 -2.899 49 HB2 ARG 6 HB2 ARG 6 9.590 -1.343 -2.855 50 HB3 ARG 6 HB1 ARG 6 7.974 -1.331 -3.711 51 HG2 ARG 6 HG2 ARG 6 9.120 -1.134 -5.851 52 HG3 ARG 6 HG1 ARG 6 10.721 -1.382 -5.032 53 HD2 ARG 6 HD2 ARG 6 8.336 -3.245 -4.664 54 HD3 ARG 6 HD1 ARG 6 9.623 -3.494 -5.933 55 HE ARG 6 HE ARG 6 10.852 -3.089 -3.347 56 HH11 ARG 6 HH11 ARG 6 9.012 -5.450 -5.279 57 HH12 ARG 6 HH12 ARG 6 9.673 -6.842 -4.494 58 HH21 ARG 6 HH21 ARG 6 11.762 -4.990 -2.284 59 HH22 ARG 6 HH22 ARG 6 11.262 -6.577 -2.764 60 H ILE 7 HN ILE 7 8.879 1.126 -6.263 61 HA ILE 7 HA ILE 7 11.655 1.120 -6.640 62 HB ILE 7 HB ILE 7 9.341 1.393 -8.459 63 HG12 ILE 7 HG12 ILE 7 11.360 -0.816 -8.486 64 HG13 ILE 7 HG11 ILE 7 10.264 -0.687 -7.063 65 HG21 ILE 7 HG21 ILE 7 11.128 1.108 -10.296 66 HG22 ILE 7 HG22 ILE 7 12.363 1.469 -9.029 67 HG23 ILE 7 HG23 ILE 7 11.123 2.708 -9.461 68 HD11 ILE 7 HD11 ILE 7 8.771 -0.290 -9.573 69 HD12 ILE 7 HD12 ILE 7 8.492 -1.461 -8.224 70 HD13 ILE 7 HD13 ILE 7 9.638 -1.879 -9.568 71 H ILE 8 HN ILE 8 9.080 3.128 -6.122 72 HA ILE 8 HA ILE 8 10.425 5.436 -7.211 73 HB ILE 8 HB ILE 8 8.365 5.376 -5.057 74 HG12 ILE 8 HG12 ILE 8 7.426 3.873 -6.506 75 HG13 ILE 8 HG11 ILE 8 6.622 5.418 -6.964 76 HG21 ILE 8 HG21 ILE 8 8.362 7.363 -7.386 77 HG22 ILE 8 HG22 ILE 8 9.695 7.488 -6.175 78 HG23 ILE 8 HG23 ILE 8 7.975 7.635 -5.645 79 HD11 ILE 8 HD11 ILE 8 8.449 5.586 -8.826 80 HD12 ILE 8 HD12 ILE 8 7.191 4.300 -9.020 81 HD13 ILE 8 HD13 ILE 8 8.836 3.867 -8.415 82 H LEU 9 HN LEU 9 9.725 3.789 -4.417 83 HA LEU 9 HA LEU 9 10.909 5.309 -2.544 84 HB2 LEU 9 HB2 LEU 9 10.013 2.682 -3.123 85 HB3 LEU 9 HB1 LEU 9 11.365 2.697 -1.943 86 HG LEU 9 HG LEU 9 9.110 4.580 -1.372 87 HD11 LEU 9 HD11 LEU 9 7.852 2.611 -2.238 88 HD12 LEU 9 HD12 LEU 9 7.642 2.769 -0.457 89 HD13 LEU 9 HD13 LEU 9 8.763 1.523 -1.132 90 HD21 LEU 9 HD21 LEU 9 9.922 4.345 0.765 91 HD22 LEU 9 HD22 LEU 9 11.359 3.625 -0.073 92 HD23 LEU 9 HD23 LEU 9 10.077 2.551 0.621 93 H ASP 10 HN ASP 10 12.079 3.104 -4.822 94 HA ASP 10 HA ASP 10 14.508 2.931 -3.480 95 HB2 ASP 10 HB2 ASP 10 13.210 2.318 -6.036 96 HB3 ASP 10 HB1 ASP 10 14.978 2.546 -6.198 97 H PHE 11 HN PHE 11 12.891 5.052 -5.708 98 HA PHE 11 HA PHE 11 15.321 6.425 -6.379 99 HB2 PHE 11 HB2 PHE 11 12.416 6.826 -7.042 100 HB3 PHE 11 HB1 PHE 11 13.785 7.724 -7.862 101 HD1 PHE 11 HD1 PHE 11 11.957 6.162 -9.480 102 HD2 PHE 11 HD2 PHE 11 15.321 4.928 -7.268 103 HE1 PHE 11 HE1 PHE 11 12.112 4.103 -10.723 104 HE2 PHE 11 HE2 PHE 11 15.448 2.985 -8.325 105 HZ PHE 11 HZ PHE 11 13.893 2.447 -10.234 106 H LEU 12 HN LEU 12 13.257 6.249 -4.001 107 HA LEU 12 HA LEU 12 13.149 8.995 -3.572 108 HB2 LEU 12 HB2 LEU 12 12.188 6.522 -2.345 109 HB3 LEU 12 HB1 LEU 12 12.037 8.081 -1.431 110 HG LEU 12 HG LEU 12 11.105 7.536 -4.199 111 HD11 LEU 12 HD11 LEU 12 9.376 6.417 -3.351 112 HD12 LEU 12 HD12 LEU 12 8.870 7.889 -2.426 113 HD13 LEU 12 HD13 LEU 12 10.017 6.693 -1.696 114 HD21 LEU 12 HD21 LEU 12 9.638 9.703 -3.281 115 HD22 LEU 12 HD22 LEU 12 11.125 9.778 -4.308 116 HD23 LEU 12 HD23 LEU 12 11.258 9.948 -2.515 117 H PHE 13 HN PHE 13 14.497 6.071 -2.402 118 HA PHE 13 HA PHE 13 16.113 7.671 -0.539 119 HB2 PHE 13 HB2 PHE 13 14.973 4.924 -0.083 120 HB3 PHE 13 HB1 PHE 13 15.739 5.995 1.181 121 HD1 PHE 13 HD1 PHE 13 13.072 4.929 -0.617 122 HD2 PHE 13 HD2 PHE 13 14.362 8.109 1.768 123 HE1 PHE 13 HE1 PHE 13 10.955 5.616 -0.554 124 HE2 PHE 13 HE2 PHE 13 12.048 8.859 1.963 125 HZ PHE 13 HZ PHE 13 10.243 7.602 0.819 126 H DLE 14 HN DLE 14 15.692 4.941 -2.692 127 HA DLE 14 HA DLE 14 18.379 4.312 -2.018 128 HB2 DLE 14 HB2 DLE 14 17.770 5.115 -4.512 129 HB3 DLE 14 HB1 DLE 14 19.176 4.082 -4.072 130 HG DLE 14 HG DLE 14 16.553 2.743 -4.564 131 HD11 DLE 14 HD11 DLE 14 16.801 4.650 -6.229 132 HD12 DLE 14 HD12 DLE 14 16.651 2.990 -6.936 133 HD13 DLE 14 HD13 DLE 14 18.260 3.794 -6.874 134 HD21 DLE 14 HD21 DLE 14 19.220 1.947 -4.183 135 HD22 DLE 14 HD22 DLE 14 18.945 1.722 -5.962 136 HD23 DLE 14 HD23 DLE 14 17.851 0.929 -4.756 137 H ARG 15 HN ARG 15 15.626 3.666 -1.180 138 HA ARG 15 HA ARG 15 15.027 1.962 0.109 139 HB2 ARG 15 HB2 ARG 15 15.375 0.734 -2.616 140 HB3 ARG 15 HB1 ARG 15 14.727 -0.236 -1.239 141 HG2 ARG 15 HG2 ARG 15 13.610 2.543 -1.675 142 HG3 ARG 15 HG1 ARG 15 13.104 1.237 -2.826 143 HD2 ARG 15 HD2 ARG 15 13.076 0.776 0.213 144 HD3 ARG 15 HD1 ARG 15 11.673 1.568 -0.627 145 HE ARG 15 HE ARG 15 12.291 -0.707 -2.163 146 HH11 ARG 15 HH11 ARG 15 11.363 0.056 1.192 147 HH12 ARG 15 HH12 ARG 15 10.530 -1.437 1.472 148 HH21 ARG 15 HH21 ARG 15 11.153 -2.751 -1.777 149 HH22 ARG 15 HH22 ARG 15 10.409 -3.058 -0.245 150 H LYS 16 HN LYS 16 17.539 2.765 0.008 151 HA LYS 16 HA LYS 16 19.174 0.429 0.602 152 HB2 LYS 16 HB2 LYS 16 21.124 1.746 -0.043 153 HB3 LYS 16 HB1 LYS 16 19.901 1.937 -1.357 154 HG2 LYS 16 HG2 LYS 16 19.127 4.081 -0.251 155 HG3 LYS 16 HG1 LYS 16 20.490 3.928 0.911 156 HD2 LYS 16 HD2 LYS 16 22.087 4.495 -0.675 157 HD3 LYS 16 HD1 LYS 16 21.187 3.729 -2.029 158 HE2 LYS 16 HE2 LYS 16 19.651 5.648 -2.207 159 HE3 LYS 16 HE1 LYS 16 20.298 6.373 -0.677 160 HZ1 LYS 16 HZ1 LYS 16 22.380 5.832 -2.554 161 HZ2 LYS 16 HZ2 LYS 16 21.937 7.285 -1.795 162 HZ3 LYS 16 HZ3 LYS 16 21.175 6.812 -3.236 163 H LYS 17 HN LYS 17 17.172 2.558 2.001 164 HA LYS 17 HA LYS 17 18.946 2.764 4.281 165 HB2 LYS 17 HB2 LYS 17 17.108 4.975 3.228 166 HB3 LYS 17 HB1 LYS 17 17.975 5.032 4.809 167 HG2 LYS 17 HG2 LYS 17 20.162 4.843 3.603 168 HG3 LYS 17 HG1 LYS 17 19.283 4.810 2.037 169 HD2 LYS 17 HD2 LYS 17 18.359 7.091 2.500 170 HD3 LYS 17 HD1 LYS 17 19.218 7.125 4.079 171 HE2 LYS 17 HE2 LYS 17 21.427 6.988 2.889 172 HE3 LYS 17 HE1 LYS 17 20.562 6.943 1.297 173 HZ1 LYS 17 HZ1 LYS 17 19.654 9.104 2.893 174 HZ2 LYS 17 HZ2 LYS 17 20.366 9.108 1.353 175 HZ3 LYS 17 HZ3 LYS 17 21.343 9.151 2.740 Start of MODEL 16 1 H1 GLU 1 HT1 GLU 1 7.763 -8.375 -4.755 2 H2 GLU 1 HT2 GLU 1 9.180 -7.976 -3.908 3 H3 GLU 1 HT3 GLU 1 8.729 -7.077 -5.276 4 HA GLU 1 HA GLU 1 6.713 -7.189 -3.255 5 HB2 GLU 1 HB2 GLU 1 8.865 -7.155 -1.882 6 HB3 GLU 1 HB1 GLU 1 9.303 -5.624 -2.717 7 HG2 GLU 1 HG2 GLU 1 7.269 -4.500 -1.773 8 HG3 GLU 1 HG1 GLU 1 6.788 -6.042 -0.957 9 H MET 2 HN MET 2 5.487 -6.347 -5.063 10 HA MET 2 HA MET 2 4.564 -4.648 -6.214 11 HB2 MET 2 HB2 MET 2 6.087 -3.061 -4.184 12 HB3 MET 2 HB1 MET 2 5.895 -2.228 -5.779 13 HG2 MET 2 HG2 MET 2 4.061 -1.649 -4.238 14 HG3 MET 2 HG1 MET 2 3.458 -2.515 -5.686 15 HE1 MET 2 HE1 MET 2 0.979 -3.393 -2.796 16 HE2 MET 2 HE2 MET 2 1.276 -2.520 -4.339 17 HE3 MET 2 HE3 MET 2 2.002 -1.914 -2.810 18 H ARG 3 HN ARG 3 5.048 -2.809 -7.446 19 HA ARG 3 HA ARG 3 7.126 -3.441 -9.265 20 HB2 ARG 3 HB2 ARG 3 4.300 -2.633 -9.374 21 HB3 ARG 3 HB1 ARG 3 5.316 -1.614 -10.426 22 HG2 ARG 3 HG2 ARG 3 6.141 -3.407 -11.612 23 HG3 ARG 3 HG1 ARG 3 5.527 -4.610 -10.405 24 HD2 ARG 3 HD2 ARG 3 3.184 -4.077 -11.020 25 HD3 ARG 3 HD1 ARG 3 3.758 -2.778 -12.155 26 HE ARG 3 HE ARG 3 5.060 -5.186 -12.940 27 HH11 ARG 3 HH11 ARG 3 1.765 -3.873 -12.616 28 HH12 ARG 3 HH12 ARG 3 1.097 -4.816 -13.906 29 HH21 ARG 3 HH21 ARG 3 4.153 -6.467 -14.696 30 HH22 ARG 3 HH22 ARG 3 2.477 -6.316 -15.109 31 H ILE 4 HN ILE 4 6.725 -0.984 -10.480 32 HA ILE 4 HA ILE 4 8.615 0.527 -9.965 33 HB ILE 4 HB ILE 4 6.834 2.455 -10.280 34 HG12 ILE 4 HG12 ILE 4 4.815 1.609 -11.369 35 HG13 ILE 4 HG11 ILE 4 5.414 -0.079 -11.292 36 HG21 ILE 4 HG21 ILE 4 7.032 1.939 -12.766 37 HG22 ILE 4 HG22 ILE 4 7.732 0.333 -12.334 38 HG23 ILE 4 HG23 ILE 4 8.611 1.849 -11.897 39 HD11 ILE 4 HD11 ILE 4 3.612 0.655 -9.521 40 HD12 ILE 4 HD12 ILE 4 4.953 1.568 -8.737 41 HD13 ILE 4 HD13 ILE 4 5.058 -0.234 -8.884 42 H SER 5 HN SER 5 6.230 0.031 -7.688 43 HA SER 5 HA SER 5 6.128 2.380 -6.316 44 HB2 SER 5 HB2 SER 5 6.060 -0.468 -5.428 45 HB3 SER 5 HB1 SER 5 5.582 0.914 -4.357 46 HG SER 5 HG SER 5 3.825 1.268 -5.579 47 H ARG 6 HN ARG 6 8.052 -0.378 -6.418 48 HA ARG 6 HA ARG 6 9.541 -0.003 -4.082 49 HB2 ARG 6 HB2 ARG 6 10.636 -1.973 -4.875 50 HB3 ARG 6 HB1 ARG 6 8.906 -2.107 -5.412 51 HG2 ARG 6 HG2 ARG 6 9.655 -0.841 -7.511 52 HG3 ARG 6 HG1 ARG 6 11.337 -1.356 -7.040 53 HD2 ARG 6 HD2 ARG 6 8.933 -3.228 -7.270 54 HD3 ARG 6 HD1 ARG 6 10.167 -2.971 -8.591 55 HE ARG 6 HE ARG 6 11.496 -3.598 -6.093 56 HH11 ARG 6 HH11 ARG 6 9.477 -5.041 -8.650 57 HH12 ARG 6 HH12 ARG 6 10.125 -6.637 -8.479 58 HH21 ARG 6 HH21 ARG 6 12.376 -5.776 -5.856 59 HH22 ARG 6 HH22 ARG 6 11.800 -7.062 -6.861 60 H ILE 7 HN ILE 7 9.350 1.177 -7.249 61 HA ILE 7 HA ILE 7 12.087 1.812 -7.317 62 HB ILE 7 HB ILE 7 9.869 1.991 -9.269 63 HG12 ILE 7 HG12 ILE 7 12.472 0.480 -9.534 64 HG13 ILE 7 HG11 ILE 7 11.300 -0.045 -8.279 65 HG21 ILE 7 HG21 ILE 7 12.781 2.979 -9.494 66 HG22 ILE 7 HG22 ILE 7 11.275 3.960 -9.676 67 HG23 ILE 7 HG23 ILE 7 11.697 2.713 -10.912 68 HD11 ILE 7 HD11 ILE 7 11.238 -0.993 -10.840 69 HD12 ILE 7 HD12 ILE 7 10.154 0.445 -11.020 70 HD13 ILE 7 HD13 ILE 7 9.772 -0.827 -9.785 71 H ILE 8 HN ILE 8 9.128 3.061 -6.562 72 HA ILE 8 HA ILE 8 10.007 5.793 -6.856 73 HB ILE 8 HB ILE 8 7.953 4.751 -4.967 74 HG12 ILE 8 HG12 ILE 8 7.315 3.635 -6.847 75 HG13 ILE 8 HG11 ILE 8 6.277 5.099 -6.913 76 HG21 ILE 8 HG21 ILE 8 7.242 6.977 -4.817 77 HG22 ILE 8 HG22 ILE 8 7.519 7.297 -6.571 78 HG23 ILE 8 HG23 ILE 8 8.908 7.320 -5.419 79 HD11 ILE 8 HD11 ILE 8 7.140 4.656 -9.155 80 HD12 ILE 8 HD12 ILE 8 8.826 4.487 -8.530 81 HD13 ILE 8 HD13 ILE 8 8.016 6.107 -8.525 82 H LEU 9 HN LEU 9 9.594 3.325 -4.704 83 HA LEU 9 HA LEU 9 10.397 4.427 -2.381 84 HB2 LEU 9 HB2 LEU 9 10.062 1.966 -3.771 85 HB3 LEU 9 HB1 LEU 9 11.303 1.873 -2.479 86 HG LEU 9 HG LEU 9 8.563 3.010 -1.855 87 HD11 LEU 9 HD11 LEU 9 9.274 0.032 -2.197 88 HD12 LEU 9 HD12 LEU 9 7.960 0.951 -3.013 89 HD13 LEU 9 HD13 LEU 9 7.852 0.607 -1.246 90 HD21 LEU 9 HD21 LEU 9 10.942 2.542 -0.448 91 HD22 LEU 9 HD22 LEU 9 9.908 1.130 0.020 92 HD23 LEU 9 HD23 LEU 9 9.310 2.813 0.291 93 H ASP 10 HN ASP 10 12.038 3.245 -5.096 94 HA ASP 10 HA ASP 10 14.413 3.224 -3.615 95 HB2 ASP 10 HB2 ASP 10 13.404 3.037 -6.356 96 HB3 ASP 10 HB1 ASP 10 15.094 3.638 -6.249 97 H PHE 11 HN PHE 11 12.414 5.474 -5.368 98 HA PHE 11 HA PHE 11 14.519 7.419 -5.475 99 HB2 PHE 11 HB2 PHE 11 11.592 7.443 -6.153 100 HB3 PHE 11 HB1 PHE 11 12.756 8.788 -6.595 101 HD1 PHE 11 HD1 PHE 11 11.316 7.463 -8.720 102 HD2 PHE 11 HD2 PHE 11 14.833 6.250 -6.708 103 HE1 PHE 11 HE1 PHE 11 11.895 5.932 -10.489 104 HE2 PHE 11 HE2 PHE 11 15.342 4.775 -8.275 105 HZ PHE 11 HZ PHE 11 13.958 4.561 -10.368 106 H LEU 12 HN LEU 12 12.575 6.163 -3.346 107 HA LEU 12 HA LEU 12 11.991 8.591 -2.108 108 HB2 LEU 12 HB2 LEU 12 11.460 5.736 -1.727 109 HB3 LEU 12 HB1 LEU 12 11.050 6.919 -0.412 110 HG LEU 12 HG LEU 12 10.243 7.094 -3.263 111 HD11 LEU 12 HD11 LEU 12 7.975 6.492 -1.604 112 HD12 LEU 12 HD12 LEU 12 9.318 5.342 -1.208 113 HD13 LEU 12 HD13 LEU 12 8.741 5.493 -2.905 114 HD21 LEU 12 HD21 LEU 12 8.414 8.577 -1.767 115 HD22 LEU 12 HD22 LEU 12 9.832 9.221 -2.689 116 HD23 LEU 12 HD23 LEU 12 9.992 8.856 -0.928 117 H PHE 13 HN PHE 13 13.850 5.688 -1.860 118 HA PHE 13 HA PHE 13 15.265 6.921 0.413 119 HB2 PHE 13 HB2 PHE 13 14.499 4.018 0.123 120 HB3 PHE 13 HB1 PHE 13 15.198 4.802 1.613 121 HD1 PHE 13 HD1 PHE 13 12.614 4.015 -0.442 122 HD2 PHE 13 HD2 PHE 13 13.602 6.387 2.846 123 HE1 PHE 13 HE1 PHE 13 10.456 4.380 -0.188 124 HE2 PHE 13 HE2 PHE 13 11.221 6.748 3.255 125 HZ PHE 13 HZ PHE 13 9.542 5.715 1.748 126 H DLE 14 HN DLE 14 15.155 4.826 -2.433 127 HA DLE 14 HA DLE 14 18.004 4.544 -2.094 128 HB2 DLE 14 HB2 DLE 14 18.215 3.754 -4.390 129 HB3 DLE 14 HB1 DLE 14 16.443 4.069 -4.603 130 HG DLE 14 HG DLE 14 16.928 6.345 -3.715 131 HD11 DLE 14 HD11 DLE 14 19.051 7.017 -3.278 132 HD12 DLE 14 HD12 DLE 14 19.743 6.149 -4.708 133 HD13 DLE 14 HD13 DLE 14 19.359 5.233 -3.181 134 HD21 DLE 14 HD21 DLE 14 16.732 5.294 -6.238 135 HD22 DLE 14 HD22 DLE 14 18.261 6.261 -6.375 136 HD23 DLE 14 HD23 DLE 14 16.718 7.053 -5.843 137 H ARG 15 HN ARG 15 15.557 3.314 -1.115 138 HA ARG 15 HA ARG 15 15.297 1.380 -0.255 139 HB2 ARG 15 HB2 ARG 15 15.655 0.720 -3.181 140 HB3 ARG 15 HB1 ARG 15 15.037 -0.503 -1.996 141 HG2 ARG 15 HG2 ARG 15 13.814 2.273 -1.941 142 HG3 ARG 15 HG1 ARG 15 13.379 1.194 -3.331 143 HD2 ARG 15 HD2 ARG 15 13.392 0.012 -0.512 144 HD3 ARG 15 HD1 ARG 15 12.006 1.070 -1.006 145 HE ARG 15 HE ARG 15 12.375 -0.681 -3.163 146 HH11 ARG 15 HH11 ARG 15 11.764 -0.936 0.343 147 HH12 ARG 15 HH12 ARG 15 10.887 -2.427 0.242 148 HH21 ARG 15 HH21 ARG 15 11.178 -2.726 -3.289 149 HH22 ARG 15 HH22 ARG 15 10.548 -3.457 -1.850 150 H LYS 16 HN LYS 16 17.684 2.528 -0.326 151 HA LYS 16 HA LYS 16 19.697 0.462 -0.490 152 HB2 LYS 16 HB2 LYS 16 21.322 2.360 -0.450 153 HB3 LYS 16 HB1 LYS 16 20.144 2.509 -1.813 154 HG2 LYS 16 HG2 LYS 16 18.760 4.040 -0.507 155 HG3 LYS 16 HG1 LYS 16 19.850 3.892 0.911 156 HD2 LYS 16 HD2 LYS 16 21.600 5.105 -0.166 157 HD3 LYS 16 HD1 LYS 16 20.906 4.846 -1.804 158 HE2 LYS 16 HE2 LYS 16 18.995 6.370 -1.281 159 HE3 LYS 16 HE1 LYS 16 19.612 6.585 0.412 160 HZ1 LYS 16 HZ1 LYS 16 20.203 8.344 -1.241 161 HZ2 LYS 16 HZ2 LYS 16 21.231 7.224 -1.999 162 HZ3 LYS 16 HZ3 LYS 16 21.510 7.679 -0.386 163 H LYS 17 HN LYS 17 17.521 1.804 1.586 164 HA LYS 17 HA LYS 17 19.398 1.522 3.782 165 HB2 LYS 17 HB2 LYS 17 16.940 3.300 3.956 166 HB3 LYS 17 HB1 LYS 17 18.423 3.336 4.978 167 HG2 LYS 17 HG2 LYS 17 19.723 4.044 2.886 168 HG3 LYS 17 HG1 LYS 17 18.144 4.223 2.048 169 HD2 LYS 17 HD2 LYS 17 18.899 5.690 4.656 170 HD3 LYS 17 HD1 LYS 17 19.107 6.382 3.011 171 HE2 LYS 17 HE2 LYS 17 16.619 6.159 2.619 172 HE3 LYS 17 HE1 LYS 17 16.431 5.520 4.305 173 HZ1 LYS 17 HZ1 LYS 17 16.321 7.587 4.962 174 HZ2 LYS 17 HZ2 LYS 17 16.641 8.182 3.404 175 HZ3 LYS 17 HZ3 LYS 17 17.923 7.850 4.468 Start of MODEL 17 1 H1 GLU 1 HT1 GLU 1 7.708 -8.433 -10.427 2 H2 GLU 1 HT2 GLU 1 9.050 -9.098 -9.626 3 H3 GLU 1 HT3 GLU 1 8.800 -7.418 -9.613 4 HA GLU 1 HA GLU 1 6.485 -8.499 -8.639 5 HB2 GLU 1 HB2 GLU 1 9.014 -9.810 -7.494 6 HB3 GLU 1 HB1 GLU 1 7.453 -9.763 -6.598 7 HG2 GLU 1 HG2 GLU 1 6.326 -11.079 -8.369 8 HG3 GLU 1 HG1 GLU 1 7.812 -11.034 -9.396 9 H MET 2 HN MET 2 6.954 -5.968 -8.785 10 HA MET 2 HA MET 2 7.848 -5.171 -6.082 11 HB2 MET 2 HB2 MET 2 7.964 -3.325 -8.532 12 HB3 MET 2 HB1 MET 2 8.612 -2.950 -6.903 13 HG2 MET 2 HG2 MET 2 9.703 -5.045 -8.924 14 HG3 MET 2 HG1 MET 2 10.400 -3.435 -8.584 15 HE1 MET 2 HE1 MET 2 11.727 -3.439 -5.135 16 HE2 MET 2 HE2 MET 2 10.906 -2.591 -6.490 17 HE3 MET 2 HE3 MET 2 12.565 -3.240 -6.713 18 H ARG 3 HN ARG 3 7.223 -3.342 -5.432 19 HA ARG 3 HA ARG 3 4.742 -2.625 -6.529 20 HB2 ARG 3 HB2 ARG 3 5.737 -2.755 -3.795 21 HB3 ARG 3 HB1 ARG 3 4.864 -1.205 -4.224 22 HG2 ARG 3 HG2 ARG 3 3.068 -2.671 -3.742 23 HG3 ARG 3 HG1 ARG 3 3.275 -2.711 -5.549 24 HD2 ARG 3 HD2 ARG 3 4.444 -4.845 -5.455 25 HD3 ARG 3 HD1 ARG 3 4.440 -4.849 -3.634 26 HE ARG 3 HE ARG 3 2.111 -5.393 -3.674 27 HH11 ARG 3 HH11 ARG 3 3.390 -4.678 -6.931 28 HH12 ARG 3 HH12 ARG 3 1.984 -5.248 -7.770 29 HH21 ARG 3 HH21 ARG 3 0.209 -6.166 -4.822 30 HH22 ARG 3 HH22 ARG 3 0.149 -6.107 -6.552 31 H ILE 4 HN ILE 4 4.750 -1.208 -7.749 32 HA ILE 4 HA ILE 4 6.920 -0.071 -8.713 33 HB ILE 4 HB ILE 4 4.361 1.314 -8.800 34 HG12 ILE 4 HG12 ILE 4 3.525 -0.911 -8.888 35 HG13 ILE 4 HG11 ILE 4 3.775 -0.513 -10.634 36 HG21 ILE 4 HG21 ILE 4 6.618 0.708 -10.790 37 HG22 ILE 4 HG22 ILE 4 6.177 2.301 -10.056 38 HG23 ILE 4 HG23 ILE 4 5.068 1.515 -11.249 39 HD11 ILE 4 HD11 ILE 4 5.007 -2.654 -8.982 40 HD12 ILE 4 HD12 ILE 4 6.302 -1.635 -9.733 41 HD13 ILE 4 HD13 ILE 4 5.058 -2.434 -10.781 42 H SER 5 HN SER 5 5.578 0.473 -5.906 43 HA SER 5 HA SER 5 5.937 3.186 -5.765 44 HB2 SER 5 HB2 SER 5 5.204 1.062 -3.805 45 HB3 SER 5 HB1 SER 5 5.261 2.825 -3.352 46 HG SER 5 HG SER 5 3.484 3.199 -4.486 47 H ARG 6 HN ARG 6 7.152 0.264 -4.765 48 HA ARG 6 HA ARG 6 8.826 1.243 -2.733 49 HB2 ARG 6 HB2 ARG 6 9.184 -1.003 -2.373 50 HB3 ARG 6 HB1 ARG 6 7.642 -1.066 -3.339 51 HG2 ARG 6 HG2 ARG 6 9.031 -1.103 -5.383 52 HG3 ARG 6 HG1 ARG 6 10.467 -1.468 -4.350 53 HD2 ARG 6 HD2 ARG 6 7.828 -2.970 -4.070 54 HD3 ARG 6 HD1 ARG 6 9.130 -3.523 -5.222 55 HE ARG 6 HE ARG 6 10.231 -3.012 -2.579 56 HH11 ARG 6 HH11 ARG 6 8.264 -5.318 -4.459 57 HH12 ARG 6 HH12 ARG 6 8.696 -6.698 -3.510 58 HH21 ARG 6 HH21 ARG 6 10.817 -4.900 -1.290 59 HH22 ARG 6 HH22 ARG 6 10.167 -6.456 -1.680 60 H ILE 7 HN ILE 7 8.637 1.158 -6.044 61 HA ILE 7 HA ILE 7 11.388 0.976 -6.518 62 HB ILE 7 HB ILE 7 8.960 1.411 -8.161 63 HG12 ILE 7 HG12 ILE 7 10.893 -0.913 -8.114 64 HG13 ILE 7 HG11 ILE 7 9.565 -0.723 -6.914 65 HG21 ILE 7 HG21 ILE 7 10.740 2.602 -9.328 66 HG22 ILE 7 HG22 ILE 7 10.559 1.003 -10.146 67 HG23 ILE 7 HG23 ILE 7 11.922 1.280 -8.997 68 HD11 ILE 7 HD11 ILE 7 9.329 -1.837 -9.535 69 HD12 ILE 7 HD12 ILE 7 8.544 -0.206 -9.611 70 HD13 ILE 7 HD13 ILE 7 8.007 -1.406 -8.376 71 H ILE 8 HN ILE 8 8.918 3.190 -6.069 72 HA ILE 8 HA ILE 8 10.392 5.359 -7.257 73 HB ILE 8 HB ILE 8 8.343 5.493 -5.096 74 HG12 ILE 8 HG12 ILE 8 7.354 3.982 -6.500 75 HG13 ILE 8 HG11 ILE 8 6.605 5.543 -6.999 76 HG21 ILE 8 HG21 ILE 8 8.351 7.409 -7.463 77 HG22 ILE 8 HG22 ILE 8 9.795 7.478 -6.379 78 HG23 ILE 8 HG23 ILE 8 8.143 7.753 -5.704 79 HD11 ILE 8 HD11 ILE 8 8.427 5.582 -8.876 80 HD12 ILE 8 HD12 ILE 8 7.117 4.331 -9.020 81 HD13 ILE 8 HD13 ILE 8 8.753 3.865 -8.404 82 H LEU 9 HN LEU 9 9.610 3.913 -4.375 83 HA LEU 9 HA LEU 9 10.909 5.455 -2.601 84 HB2 LEU 9 HB2 LEU 9 9.825 2.875 -3.029 85 HB3 LEU 9 HB1 LEU 9 11.183 2.857 -1.852 86 HG LEU 9 HG LEU 9 9.090 4.938 -1.383 87 HD11 LEU 9 HD11 LEU 9 7.671 3.046 -2.162 88 HD12 LEU 9 HD12 LEU 9 7.469 3.310 -0.392 89 HD13 LEU 9 HD13 LEU 9 8.479 1.941 -0.996 90 HD21 LEU 9 HD21 LEU 9 9.870 4.736 0.772 91 HD22 LEU 9 HD22 LEU 9 11.253 3.880 -0.033 92 HD23 LEU 9 HD23 LEU 9 9.898 2.929 0.704 93 H ASP 10 HN ASP 10 11.912 3.054 -4.758 94 HA ASP 10 HA ASP 10 14.337 2.802 -3.414 95 HB2 ASP 10 HB2 ASP 10 12.978 2.105 -5.913 96 HB3 ASP 10 HB1 ASP 10 14.754 2.222 -6.108 97 H PHE 11 HN PHE 11 12.837 4.887 -5.756 98 HA PHE 11 HA PHE 11 15.343 6.065 -6.516 99 HB2 PHE 11 HB2 PHE 11 12.464 6.624 -7.180 100 HB3 PHE 11 HB1 PHE 11 13.883 7.378 -8.058 101 HD1 PHE 11 HD1 PHE 11 11.930 5.852 -9.568 102 HD2 PHE 11 HD2 PHE 11 15.239 4.527 -7.325 103 HE1 PHE 11 HE1 PHE 11 11.934 3.720 -10.693 104 HE2 PHE 11 HE2 PHE 11 15.224 2.524 -8.270 105 HZ PHE 11 HZ PHE 11 13.611 1.981 -10.129 106 H LEU 12 HN LEU 12 13.295 6.157 -4.117 107 HA LEU 12 HA LEU 12 13.371 8.924 -3.844 108 HB2 LEU 12 HB2 LEU 12 12.268 6.591 -2.472 109 HB3 LEU 12 HB1 LEU 12 12.227 8.206 -1.645 110 HG LEU 12 HG LEU 12 11.230 7.569 -4.373 111 HD11 LEU 12 HD11 LEU 12 10.119 6.934 -1.821 112 HD12 LEU 12 HD12 LEU 12 9.440 6.617 -3.455 113 HD13 LEU 12 HD13 LEU 12 9.045 8.164 -2.599 114 HD21 LEU 12 HD21 LEU 12 9.912 9.871 -3.578 115 HD22 LEU 12 HD22 LEU 12 11.400 9.796 -4.605 116 HD23 LEU 12 HD23 LEU 12 11.546 10.058 -2.824 117 H PHE 13 HN PHE 13 14.537 5.989 -2.520 118 HA PHE 13 HA PHE 13 16.270 7.579 -0.756 119 HB2 PHE 13 HB2 PHE 13 14.960 4.941 -0.146 120 HB3 PHE 13 HB1 PHE 13 15.807 6.024 1.054 121 HD1 PHE 13 HD1 PHE 13 13.057 5.039 -0.661 122 HD2 PHE 13 HD2 PHE 13 14.580 8.257 1.526 123 HE1 PHE 13 HE1 PHE 13 10.992 5.868 -0.624 124 HE2 PHE 13 HE2 PHE 13 12.322 9.168 1.696 125 HZ PHE 13 HZ PHE 13 10.427 7.971 0.637 126 H DLE 14 HN DLE 14 15.657 4.772 -2.759 127 HA DLE 14 HA DLE 14 18.309 4.015 -2.074 128 HB2 DLE 14 HB2 DLE 14 17.716 4.714 -4.604 129 HB3 DLE 14 HB1 DLE 14 19.064 3.626 -4.120 130 HG DLE 14 HG DLE 14 16.361 2.417 -4.511 131 HD11 DLE 14 HD11 DLE 14 18.092 3.226 -6.897 132 HD12 DLE 14 HD12 DLE 14 16.708 4.216 -6.280 133 HD13 DLE 14 HD13 DLE 14 16.430 2.537 -6.887 134 HD21 DLE 14 HD21 DLE 14 18.979 1.489 -4.111 135 HD22 DLE 14 HD22 DLE 14 18.676 1.189 -5.874 136 HD23 DLE 14 HD23 DLE 14 17.549 0.522 -4.622 137 H ARG 15 HN ARG 15 15.539 3.590 -1.167 138 HA ARG 15 HA ARG 15 14.864 2.006 0.231 139 HB2 ARG 15 HB2 ARG 15 15.076 0.601 -2.423 140 HB3 ARG 15 HB1 ARG 15 14.385 -0.237 -0.981 141 HG2 ARG 15 HG2 ARG 15 13.459 2.585 -1.584 142 HG3 ARG 15 HG1 ARG 15 12.836 1.242 -2.631 143 HD2 ARG 15 HD2 ARG 15 12.835 1.033 0.440 144 HD3 ARG 15 HD1 ARG 15 11.462 1.809 -0.462 145 HE ARG 15 HE ARG 15 11.960 -0.626 -1.780 146 HH11 ARG 15 HH11 ARG 15 11.087 0.502 1.486 147 HH12 ARG 15 HH12 ARG 15 10.183 -0.913 1.909 148 HH21 ARG 15 HH21 ARG 15 10.727 -2.564 -1.198 149 HH22 ARG 15 HH22 ARG 15 9.974 -2.685 0.356 150 H LYS 16 HN LYS 16 17.419 2.637 0.038 151 HA LYS 16 HA LYS 16 18.918 0.237 0.731 152 HB2 LYS 16 HB2 LYS 16 20.931 1.400 -0.013 153 HB3 LYS 16 HB1 LYS 16 19.697 1.596 -1.313 154 HG2 LYS 16 HG2 LYS 16 19.070 3.835 -0.311 155 HG3 LYS 16 HG1 LYS 16 20.444 3.664 0.836 156 HD2 LYS 16 HD2 LYS 16 22.042 4.050 -0.802 157 HD3 LYS 16 HD1 LYS 16 21.072 3.269 -2.099 158 HE2 LYS 16 HE2 LYS 16 19.652 5.265 -2.359 159 HE3 LYS 16 HE1 LYS 16 20.363 6.026 -0.876 160 HZ1 LYS 16 HZ1 LYS 16 22.235 6.568 -1.964 161 HZ2 LYS 16 HZ2 LYS 16 21.194 6.547 -3.305 162 HZ3 LYS 16 HZ3 LYS 16 22.210 5.222 -2.999 163 H LYS 17 HN LYS 17 17.077 2.550 2.052 164 HA LYS 17 HA LYS 17 18.913 2.775 4.282 165 HB2 LYS 17 HB2 LYS 17 17.154 5.015 3.158 166 HB3 LYS 17 HB1 LYS 17 18.066 5.112 4.710 167 HG2 LYS 17 HG2 LYS 17 20.208 4.755 3.461 168 HG3 LYS 17 HG1 LYS 17 19.284 4.683 1.922 169 HD2 LYS 17 HD2 LYS 17 18.479 7.026 2.289 170 HD3 LYS 17 HD1 LYS 17 19.383 7.100 3.841 171 HE2 LYS 17 HE2 LYS 17 21.548 6.800 2.603 172 HE3 LYS 17 HE1 LYS 17 20.637 6.713 1.038 173 HZ1 LYS 17 HZ1 LYS 17 20.323 8.891 1.036 174 HZ2 LYS 17 HZ2 LYS 17 21.622 8.940 2.129 175 HZ3 LYS 17 HZ3 LYS 17 20.025 9.001 2.704 Start of MODEL 18 1 H1 GLU 1 HT1 GLU 1 7.305 -9.201 -4.472 2 H2 GLU 1 HT2 GLU 1 8.170 -7.817 -4.004 3 H3 GLU 1 HT3 GLU 1 7.304 -7.824 -5.466 4 HA GLU 1 HA GLU 1 5.404 -8.464 -3.696 5 HB2 GLU 1 HB2 GLU 1 6.981 -7.981 -1.804 6 HB3 GLU 1 HB1 GLU 1 7.255 -6.335 -2.470 7 HG2 GLU 1 HG2 GLU 1 5.670 -6.188 -0.584 8 HG3 GLU 1 HG1 GLU 1 4.783 -5.816 -2.112 9 H MET 2 HN MET 2 7.313 -5.648 -4.940 10 HA MET 2 HA MET 2 4.824 -4.702 -6.170 11 HB2 MET 2 HB2 MET 2 6.510 -3.141 -4.208 12 HB3 MET 2 HB1 MET 2 6.081 -2.290 -5.746 13 HG2 MET 2 HG2 MET 2 4.149 -1.733 -4.750 14 HG3 MET 2 HG1 MET 2 3.642 -3.429 -5.011 15 HE1 MET 2 HE1 MET 2 4.452 -0.598 -2.681 16 HE2 MET 2 HE2 MET 2 6.063 -1.397 -2.637 17 HE3 MET 2 HE3 MET 2 5.056 -1.321 -1.150 18 H ARG 3 HN ARG 3 5.265 -2.918 -7.425 19 HA ARG 3 HA ARG 3 7.380 -3.485 -9.221 20 HB2 ARG 3 HB2 ARG 3 4.531 -2.756 -9.353 21 HB3 ARG 3 HB1 ARG 3 5.528 -1.712 -10.399 22 HG2 ARG 3 HG2 ARG 3 6.416 -3.484 -11.569 23 HG3 ARG 3 HG1 ARG 3 5.817 -4.700 -10.368 24 HD2 ARG 3 HD2 ARG 3 3.470 -4.228 -11.017 25 HD3 ARG 3 HD1 ARG 3 4.026 -2.916 -12.144 26 HE ARG 3 HE ARG 3 5.402 -5.283 -12.914 27 HH11 ARG 3 HH11 ARG 3 2.065 -4.074 -12.623 28 HH12 ARG 3 HH12 ARG 3 1.438 -5.037 -13.918 29 HH21 ARG 3 HH21 ARG 3 4.551 -6.595 -14.676 30 HH22 ARG 3 HH22 ARG 3 2.876 -6.496 -15.104 31 H ILE 4 HN ILE 4 6.913 -1.041 -10.442 32 HA ILE 4 HA ILE 4 8.756 0.524 -9.925 33 HB ILE 4 HB ILE 4 6.928 2.402 -10.249 34 HG12 ILE 4 HG12 ILE 4 4.923 1.504 -11.322 35 HG13 ILE 4 HG11 ILE 4 5.562 -0.168 -11.247 36 HG21 ILE 4 HG21 ILE 4 7.132 1.882 -12.729 37 HG22 ILE 4 HG22 ILE 4 7.860 0.287 -12.297 38 HG23 ILE 4 HG23 ILE 4 8.716 1.818 -11.865 39 HD11 ILE 4 HD11 ILE 4 3.749 0.513 -9.469 40 HD12 ILE 4 HD12 ILE 4 5.061 1.473 -8.693 41 HD13 ILE 4 HD13 ILE 4 5.225 -0.324 -8.831 42 H SER 5 HN SER 5 6.380 -0.029 -7.651 43 HA SER 5 HA SER 5 6.220 2.323 -6.288 44 HB2 SER 5 HB2 SER 5 6.201 -0.521 -5.397 45 HB3 SER 5 HB1 SER 5 5.697 0.853 -4.329 46 HG SER 5 HG SER 5 3.937 1.176 -5.552 47 H ARG 6 HN ARG 6 8.203 -0.390 -6.375 48 HA ARG 6 HA ARG 6 9.668 0.028 -4.033 49 HB2 ARG 6 HB2 ARG 6 10.815 -1.918 -4.806 50 HB3 ARG 6 HB1 ARG 6 9.093 -2.096 -5.359 51 HG2 ARG 6 HG2 ARG 6 9.828 -0.817 -7.453 52 HG3 ARG 6 HG1 ARG 6 11.519 -1.285 -6.969 53 HD2 ARG 6 HD2 ARG 6 9.166 -3.219 -7.219 54 HD3 ARG 6 HD1 ARG 6 10.408 -2.935 -8.525 55 HE ARG 6 HE ARG 6 11.713 -3.527 -5.999 56 HH11 ARG 6 HH11 ARG 6 9.806 -5.011 -8.619 57 HH12 ARG 6 HH12 ARG 6 10.500 -6.587 -8.444 58 HH21 ARG 6 HH21 ARG 6 12.655 -5.677 -5.758 59 HH22 ARG 6 HH22 ARG 6 12.146 -6.972 -6.788 60 H ILE 7 HN ILE 7 9.467 1.194 -7.205 61 HA ILE 7 HA ILE 7 12.191 1.891 -7.258 62 HB ILE 7 HB ILE 7 9.977 2.019 -9.221 63 HG12 ILE 7 HG12 ILE 7 12.614 0.563 -9.470 64 HG13 ILE 7 HG11 ILE 7 11.445 0.014 -8.222 65 HG21 ILE 7 HG21 ILE 7 12.867 3.071 -9.432 66 HG22 ILE 7 HG22 ILE 7 11.340 4.015 -9.627 67 HG23 ILE 7 HG23 ILE 7 11.799 2.774 -10.856 68 HD11 ILE 7 HD11 ILE 7 10.302 0.481 -10.967 69 HD12 ILE 7 HD12 ILE 7 9.945 -0.802 -9.737 70 HD13 ILE 7 HD13 ILE 7 11.421 -0.930 -10.788 71 H ILE 8 HN ILE 8 9.197 3.079 -6.529 72 HA ILE 8 HA ILE 8 10.009 5.830 -6.825 73 HB ILE 8 HB ILE 8 7.981 4.737 -4.937 74 HG12 ILE 8 HG12 ILE 8 7.378 3.602 -6.816 75 HG13 ILE 8 HG11 ILE 8 6.301 5.039 -6.887 76 HG21 ILE 8 HG21 ILE 8 7.216 6.944 -4.783 77 HG22 ILE 8 HG22 ILE 8 7.470 7.266 -6.540 78 HG23 ILE 8 HG23 ILE 8 8.868 7.333 -5.400 79 HD11 ILE 8 HD11 ILE 8 7.178 4.619 -9.127 80 HD12 ILE 8 HD12 ILE 8 8.867 4.487 -8.499 81 HD13 ILE 8 HD13 ILE 8 8.022 6.089 -8.495 82 H LEU 9 HN LEU 9 9.662 3.359 -4.669 83 HA LEU 9 HA LEU 9 10.430 4.487 -2.349 84 HB2 LEU 9 HB2 LEU 9 10.172 2.013 -3.738 85 HB3 LEU 9 HB1 LEU 9 11.397 1.958 -2.425 86 HG LEU 9 HG LEU 9 8.601 3.009 -1.877 87 HD11 LEU 9 HD11 LEU 9 9.461 0.064 -2.140 88 HD12 LEU 9 HD12 LEU 9 8.094 0.897 -2.963 89 HD13 LEU 9 HD13 LEU 9 8.017 0.581 -1.189 90 HD21 LEU 9 HD21 LEU 9 9.332 2.944 0.274 91 HD22 LEU 9 HD22 LEU 9 10.983 2.669 -0.426 92 HD23 LEU 9 HD23 LEU 9 9.967 1.262 0.091 93 H ASP 10 HN ASP 10 12.117 3.347 -5.056 94 HA ASP 10 HA ASP 10 14.483 3.433 -3.559 95 HB2 ASP 10 HB2 ASP 10 13.492 3.103 -6.279 96 HB3 ASP 10 HB1 ASP 10 15.144 3.810 -6.215 97 H PHE 11 HN PHE 11 12.412 5.589 -5.315 98 HA PHE 11 HA PHE 11 14.461 7.590 -5.444 99 HB2 PHE 11 HB2 PHE 11 11.535 7.531 -6.121 100 HB3 PHE 11 HB1 PHE 11 12.660 8.904 -6.571 101 HD1 PHE 11 HD1 PHE 11 11.260 7.529 -8.691 102 HD2 PHE 11 HD2 PHE 11 14.807 6.422 -6.670 103 HE1 PHE 11 HE1 PHE 11 11.883 6.004 -10.452 104 HE2 PHE 11 HE2 PHE 11 15.354 4.951 -8.226 105 HZ PHE 11 HZ PHE 11 13.980 4.688 -10.318 106 H LEU 12 HN LEU 12 12.564 6.280 -3.312 107 HA LEU 12 HA LEU 12 11.924 8.690 -2.065 108 HB2 LEU 12 HB2 LEU 12 11.466 5.822 -1.678 109 HB3 LEU 12 HB1 LEU 12 11.031 6.998 -0.368 110 HG LEU 12 HG LEU 12 10.206 7.141 -3.216 111 HD11 LEU 12 HD11 LEU 12 8.741 5.506 -2.850 112 HD12 LEU 12 HD12 LEU 12 7.971 6.472 -1.524 113 HD13 LEU 12 HD13 LEU 12 9.352 5.354 -1.166 114 HD21 LEU 12 HD21 LEU 12 9.918 8.902 -0.885 115 HD22 LEU 12 HD22 LEU 12 8.341 8.571 -1.711 116 HD23 LEU 12 HD23 LEU 12 9.732 9.255 -2.644 117 H PHE 13 HN PHE 13 13.856 5.830 -1.849 118 HA PHE 13 HA PHE 13 15.283 7.094 0.396 119 HB2 PHE 13 HB2 PHE 13 14.559 4.180 0.142 120 HB3 PHE 13 HB1 PHE 13 15.276 4.984 1.613 121 HD1 PHE 13 HD1 PHE 13 12.669 4.182 -0.408 122 HD2 PHE 13 HD2 PHE 13 13.669 6.512 2.902 123 HE1 PHE 13 HE1 PHE 13 10.516 4.481 -0.110 124 HE2 PHE 13 HE2 PHE 13 11.288 6.814 3.360 125 HZ PHE 13 HZ PHE 13 9.605 5.767 1.864 126 H DLE 14 HN DLE 14 15.158 4.944 -2.416 127 HA DLE 14 HA DLE 14 18.016 4.708 -2.100 128 HB2 DLE 14 HB2 DLE 14 18.223 3.944 -4.415 129 HB3 DLE 14 HB1 DLE 14 16.456 4.281 -4.621 130 HG DLE 14 HG DLE 14 16.972 6.524 -3.660 131 HD11 DLE 14 HD11 DLE 14 19.384 5.383 -3.175 132 HD12 DLE 14 HD12 DLE 14 19.117 7.178 -3.269 133 HD13 DLE 14 HD13 DLE 14 19.775 6.289 -4.702 134 HD21 DLE 14 HD21 DLE 14 16.918 5.485 -6.283 135 HD22 DLE 14 HD22 DLE 14 18.240 6.724 -6.282 136 HD23 DLE 14 HD23 DLE 14 16.564 7.170 -5.752 137 H ARG 15 HN ARG 15 15.626 3.427 -1.082 138 HA ARG 15 HA ARG 15 15.468 1.486 -0.222 139 HB2 ARG 15 HB2 ARG 15 15.605 0.844 -3.172 140 HB3 ARG 15 HB1 ARG 15 15.036 -0.364 -1.942 141 HG2 ARG 15 HG2 ARG 15 13.922 2.492 -2.023 142 HG3 ARG 15 HG1 ARG 15 13.234 1.195 -3.082 143 HD2 ARG 15 HD2 ARG 15 11.929 0.738 -1.188 144 HD3 ARG 15 HD1 ARG 15 13.421 -0.128 -0.631 145 HE ARG 15 HE ARG 15 13.465 2.712 0.058 146 HH11 ARG 15 HH11 ARG 15 12.252 -0.527 0.917 147 HH12 ARG 15 HH12 ARG 15 12.098 -0.191 2.608 148 HH21 ARG 15 HH21 ARG 15 13.249 3.170 2.364 149 HH22 ARG 15 HH22 ARG 15 12.674 1.945 3.444 150 H LYS 16 HN LYS 16 17.763 2.625 -0.352 151 HA LYS 16 HA LYS 16 19.824 0.614 -0.655 152 HB2 LYS 16 HB2 LYS 16 21.408 2.546 -0.611 153 HB3 LYS 16 HB1 LYS 16 20.185 2.709 -1.931 154 HG2 LYS 16 HG2 LYS 16 18.817 4.187 -0.551 155 HG3 LYS 16 HG1 LYS 16 19.935 4.000 0.839 156 HD2 LYS 16 HD2 LYS 16 21.648 5.276 -0.211 157 HD3 LYS 16 HD1 LYS 16 20.944 5.058 -1.852 158 HE2 LYS 16 HE2 LYS 16 19.026 6.546 -1.281 159 HE3 LYS 16 HE1 LYS 16 19.629 6.702 0.423 160 HZ1 LYS 16 HZ1 LYS 16 21.318 7.425 -1.903 161 HZ2 LYS 16 HZ2 LYS 16 21.466 7.901 -0.280 162 HZ3 LYS 16 HZ3 LYS 16 20.198 8.510 -1.232 163 H LYS 17 HN LYS 17 17.681 1.865 1.524 164 HA LYS 17 HA LYS 17 19.614 1.482 3.652 165 HB2 LYS 17 HB2 LYS 17 17.253 3.409 3.829 166 HB3 LYS 17 HB1 LYS 17 18.632 3.255 4.979 167 HG2 LYS 17 HG2 LYS 17 20.112 3.858 2.858 168 HG3 LYS 17 HG1 LYS 17 18.567 4.482 2.186 169 HD2 LYS 17 HD2 LYS 17 19.709 5.332 4.922 170 HD3 LYS 17 HD1 LYS 17 20.028 6.213 3.390 171 HE2 LYS 17 HE2 LYS 17 17.185 5.682 4.488 172 HE3 LYS 17 HE1 LYS 17 18.131 7.196 4.801 173 HZ1 LYS 17 HZ1 LYS 17 16.493 6.968 2.802 174 HZ2 LYS 17 HZ2 LYS 17 17.837 6.272 2.031 175 HZ3 LYS 17 HZ3 LYS 17 17.941 7.844 2.666 Start of MODEL 19 1 H1 GLU 1 HT1 GLU 1 6.111 -9.670 -8.275 2 H2 GLU 1 HT2 GLU 1 6.259 -8.440 -9.437 3 H3 GLU 1 HT3 GLU 1 5.827 -8.053 -7.840 4 HA GLU 1 HA GLU 1 8.129 -9.384 -7.500 5 HB2 GLU 1 HB2 GLU 1 8.257 -7.664 -10.038 6 HB3 GLU 1 HB1 GLU 1 9.723 -8.125 -9.101 7 HG2 GLU 1 HG2 GLU 1 9.295 -10.536 -9.507 8 HG3 GLU 1 HG1 GLU 1 7.739 -10.149 -10.342 9 H MET 2 HN MET 2 6.787 -6.161 -8.464 10 HA MET 2 HA MET 2 7.714 -5.127 -5.919 11 HB2 MET 2 HB2 MET 2 8.231 -2.811 -7.309 12 HB3 MET 2 HB1 MET 2 9.559 -4.019 -6.926 13 HG2 MET 2 HG2 MET 2 8.607 -5.111 -9.301 14 HG3 MET 2 HG1 MET 2 8.282 -3.376 -9.566 15 HE1 MET 2 HE1 MET 2 12.296 -5.544 -8.814 16 HE2 MET 2 HE2 MET 2 10.921 -6.238 -9.741 17 HE3 MET 2 HE3 MET 2 10.714 -5.824 -8.005 18 H ARG 3 HN ARG 3 7.086 -3.300 -5.381 19 HA ARG 3 HA ARG 3 4.707 -2.579 -6.666 20 HB2 ARG 3 HB2 ARG 3 5.545 -2.621 -3.874 21 HB3 ARG 3 HB1 ARG 3 4.711 -1.082 -4.405 22 HG2 ARG 3 HG2 ARG 3 2.887 -2.523 -3.950 23 HG3 ARG 3 HG1 ARG 3 3.167 -2.611 -5.744 24 HD2 ARG 3 HD2 ARG 3 4.101 -4.775 -5.648 25 HD3 ARG 3 HD1 ARG 3 4.431 -4.690 -3.855 26 HE ARG 3 HE ARG 3 1.605 -4.408 -4.239 27 HH11 ARG 3 HH11 ARG 3 4.225 -6.766 -4.737 28 HH12 ARG 3 HH12 ARG 3 3.223 -8.161 -4.514 29 HH21 ARG 3 HH21 ARG 3 0.239 -6.303 -3.935 30 HH22 ARG 3 HH22 ARG 3 0.917 -7.892 -4.050 31 H ILE 4 HN ILE 4 4.727 -1.135 -7.854 32 HA ILE 4 HA ILE 4 6.912 -0.028 -8.794 33 HB ILE 4 HB ILE 4 4.381 1.402 -8.906 34 HG12 ILE 4 HG12 ILE 4 3.496 -0.803 -9.004 35 HG13 ILE 4 HG11 ILE 4 3.778 -0.415 -10.746 36 HG21 ILE 4 HG21 ILE 4 6.231 2.347 -10.145 37 HG22 ILE 4 HG22 ILE 4 5.109 1.591 -11.346 38 HG23 ILE 4 HG23 ILE 4 6.636 0.747 -10.881 39 HD11 ILE 4 HD11 ILE 4 6.267 -1.578 -9.812 40 HD12 ILE 4 HD12 ILE 4 5.024 -2.361 -10.871 41 HD13 ILE 4 HD13 ILE 4 4.950 -2.576 -9.071 42 H SER 5 HN SER 5 5.587 0.518 -5.997 43 HA SER 5 HA SER 5 5.943 3.228 -5.843 44 HB2 SER 5 HB2 SER 5 5.193 1.100 -3.897 45 HB3 SER 5 HB1 SER 5 5.248 2.862 -3.438 46 HG SER 5 HG SER 5 3.496 3.251 -4.625 47 H ARG 6 HN ARG 6 7.148 0.307 -4.866 48 HA ARG 6 HA ARG 6 8.798 1.274 -2.809 49 HB2 ARG 6 HB2 ARG 6 9.137 -0.973 -2.457 50 HB3 ARG 6 HB1 ARG 6 7.615 -1.030 -3.457 51 HG2 ARG 6 HG2 ARG 6 9.008 -1.086 -5.476 52 HG3 ARG 6 HG1 ARG 6 10.461 -1.381 -4.442 53 HD2 ARG 6 HD2 ARG 6 7.882 -2.967 -4.109 54 HD3 ARG 6 HD1 ARG 6 9.190 -3.490 -5.259 55 HE ARG 6 HE ARG 6 10.316 -2.897 -2.656 56 HH11 ARG 6 HH11 ARG 6 8.384 -5.304 -4.439 57 HH12 ARG 6 HH12 ARG 6 8.875 -6.647 -3.465 58 HH21 ARG 6 HH21 ARG 6 10.985 -4.732 -1.335 59 HH22 ARG 6 HH22 ARG 6 10.374 -6.316 -1.671 60 H ILE 7 HN ILE 7 8.635 1.207 -6.120 61 HA ILE 7 HA ILE 7 11.387 1.014 -6.577 62 HB ILE 7 HB ILE 7 8.979 1.502 -8.235 63 HG12 ILE 7 HG12 ILE 7 10.862 -0.863 -8.175 64 HG13 ILE 7 HG11 ILE 7 9.494 -0.660 -7.020 65 HG21 ILE 7 HG21 ILE 7 10.780 2.666 -9.380 66 HG22 ILE 7 HG22 ILE 7 10.602 1.069 -10.202 67 HG23 ILE 7 HG23 ILE 7 11.948 1.334 -9.031 68 HD11 ILE 7 HD11 ILE 7 9.370 -1.608 -9.765 69 HD12 ILE 7 HD12 ILE 7 8.486 -0.036 -9.649 70 HD13 ILE 7 HD13 ILE 7 8.034 -1.401 -8.560 71 H ILE 8 HN ILE 8 8.925 3.241 -6.126 72 HA ILE 8 HA ILE 8 10.417 5.413 -7.284 73 HB ILE 8 HB ILE 8 8.349 5.535 -5.143 74 HG12 ILE 8 HG12 ILE 8 7.367 4.030 -6.561 75 HG13 ILE 8 HG11 ILE 8 6.625 5.594 -7.059 76 HG21 ILE 8 HG21 ILE 8 8.145 7.797 -5.747 77 HG22 ILE 8 HG22 ILE 8 8.386 7.460 -7.504 78 HG23 ILE 8 HG23 ILE 8 9.810 7.527 -6.393 79 HD11 ILE 8 HD11 ILE 8 8.774 3.911 -8.455 80 HD12 ILE 8 HD12 ILE 8 8.469 5.638 -8.918 81 HD13 ILE 8 HD13 ILE 8 7.152 4.399 -9.084 82 H LEU 9 HN LEU 9 9.605 3.948 -4.420 83 HA LEU 9 HA LEU 9 10.895 5.475 -2.626 84 HB2 LEU 9 HB2 LEU 9 9.801 2.901 -3.077 85 HB3 LEU 9 HB1 LEU 9 11.145 2.872 -1.884 86 HG LEU 9 HG LEU 9 9.051 4.961 -1.437 87 HD11 LEU 9 HD11 LEU 9 8.437 1.960 -1.070 88 HD12 LEU 9 HD12 LEU 9 7.633 3.078 -2.229 89 HD13 LEU 9 HD13 LEU 9 7.424 3.322 -0.455 90 HD21 LEU 9 HD21 LEU 9 11.198 3.899 -0.061 91 HD22 LEU 9 HD22 LEU 9 9.832 2.950 0.661 92 HD23 LEU 9 HD23 LEU 9 9.810 4.756 0.728 93 H ASP 10 HN ASP 10 11.899 3.083 -4.790 94 HA ASP 10 HA ASP 10 14.309 2.803 -3.425 95 HB2 ASP 10 HB2 ASP 10 12.968 2.126 -5.938 96 HB3 ASP 10 HB1 ASP 10 14.745 2.237 -6.121 97 H PHE 11 HN PHE 11 12.845 4.915 -5.766 98 HA PHE 11 HA PHE 11 15.368 6.079 -6.497 99 HB2 PHE 11 HB2 PHE 11 12.499 6.665 -7.180 100 HB3 PHE 11 HB1 PHE 11 13.930 7.417 -8.039 101 HD1 PHE 11 HD1 PHE 11 11.983 5.921 -9.583 102 HD2 PHE 11 HD2 PHE 11 15.254 4.547 -7.316 103 HE1 PHE 11 HE1 PHE 11 11.981 3.799 -10.728 104 HE2 PHE 11 HE2 PHE 11 15.233 2.552 -8.278 105 HZ PHE 11 HZ PHE 11 13.637 2.040 -10.160 106 H LEU 12 HN LEU 12 13.299 6.170 -4.113 107 HA LEU 12 HA LEU 12 13.396 8.933 -3.819 108 HB2 LEU 12 HB2 LEU 12 12.262 6.600 -2.476 109 HB3 LEU 12 HB1 LEU 12 12.227 8.209 -1.637 110 HG LEU 12 HG LEU 12 11.251 7.603 -4.379 111 HD11 LEU 12 HD11 LEU 12 9.052 8.198 -2.625 112 HD12 LEU 12 HD12 LEU 12 10.110 6.954 -1.843 113 HD13 LEU 12 HD13 LEU 12 9.445 6.656 -3.487 114 HD21 LEU 12 HD21 LEU 12 11.576 10.075 -2.809 115 HD22 LEU 12 HD22 LEU 12 9.942 9.907 -3.570 116 HD23 LEU 12 HD23 LEU 12 11.436 9.830 -4.590 117 H PHE 13 HN PHE 13 14.529 5.979 -2.509 118 HA PHE 13 HA PHE 13 16.260 7.540 -0.719 119 HB2 PHE 13 HB2 PHE 13 14.921 4.909 -0.140 120 HB3 PHE 13 HB1 PHE 13 15.772 5.973 1.074 121 HD1 PHE 13 HD1 PHE 13 13.025 5.033 -0.670 122 HD2 PHE 13 HD2 PHE 13 14.562 8.212 1.563 123 HE1 PHE 13 HE1 PHE 13 10.968 5.884 -0.643 124 HE2 PHE 13 HE2 PHE 13 12.313 9.146 1.724 125 HZ PHE 13 HZ PHE 13 10.414 7.979 0.636 126 H DLE 14 HN DLE 14 15.640 4.753 -2.745 127 HA DLE 14 HA DLE 14 18.279 3.970 -2.046 128 HB2 DLE 14 HB2 DLE 14 17.712 4.695 -4.574 129 HB3 DLE 14 HB1 DLE 14 19.049 3.592 -4.089 130 HG DLE 14 HG DLE 14 16.342 2.405 -4.511 131 HD11 DLE 14 HD11 DLE 14 16.714 4.218 -6.263 132 HD12 DLE 14 HD12 DLE 14 16.429 2.544 -6.886 133 HD13 DLE 14 HD13 DLE 14 18.095 3.224 -6.878 134 HD21 DLE 14 HD21 DLE 14 18.662 1.175 -5.865 135 HD22 DLE 14 HD22 DLE 14 17.518 0.503 -4.632 136 HD23 DLE 14 HD23 DLE 14 18.950 1.455 -4.099 137 H ARG 15 HN ARG 15 15.503 3.560 -1.160 138 HA ARG 15 HA ARG 15 14.810 1.970 0.222 139 HB2 ARG 15 HB2 ARG 15 15.017 0.583 -2.441 140 HB3 ARG 15 HB1 ARG 15 14.309 -0.255 -1.009 141 HG2 ARG 15 HG2 ARG 15 13.425 2.582 -1.607 142 HG3 ARG 15 HG1 ARG 15 12.782 1.248 -2.652 143 HD2 ARG 15 HD2 ARG 15 12.781 1.023 0.415 144 HD3 ARG 15 HD1 ARG 15 11.429 1.851 -0.470 145 HE ARG 15 HE ARG 15 11.841 -0.584 -1.816 146 HH11 ARG 15 HH11 ARG 15 11.035 0.537 1.470 147 HH12 ARG 15 HH12 ARG 15 10.082 -0.848 1.885 148 HH21 ARG 15 HH21 ARG 15 10.534 -2.482 -1.244 149 HH22 ARG 15 HH22 ARG 15 9.793 -2.592 0.316 150 H LYS 16 HN LYS 16 17.372 2.578 0.045 151 HA LYS 16 HA LYS 16 18.844 0.158 0.722 152 HB2 LYS 16 HB2 LYS 16 20.872 1.313 0.003 153 HB3 LYS 16 HB1 LYS 16 19.646 1.531 -1.303 154 HG2 LYS 16 HG2 LYS 16 19.031 3.766 -0.281 155 HG3 LYS 16 HG1 LYS 16 20.399 3.571 0.872 156 HD2 LYS 16 HD2 LYS 16 22.007 3.963 -0.755 157 HD3 LYS 16 HD1 LYS 16 21.039 3.202 -2.065 158 HE2 LYS 16 HE2 LYS 16 19.637 5.211 -2.313 159 HE3 LYS 16 HE1 LYS 16 20.341 5.951 -0.818 160 HZ1 LYS 16 HZ1 LYS 16 21.195 6.494 -3.234 161 HZ2 LYS 16 HZ2 LYS 16 22.199 5.158 -2.936 162 HZ3 LYS 16 HZ3 LYS 16 22.225 6.491 -1.885 163 H LYS 17 HN LYS 17 17.015 2.470 2.058 164 HA LYS 17 HA LYS 17 18.840 2.653 4.302 165 HB2 LYS 17 HB2 LYS 17 17.113 4.925 3.190 166 HB3 LYS 17 HB1 LYS 17 18.015 4.994 4.750 167 HG2 LYS 17 HG2 LYS 17 20.162 4.628 3.512 168 HG3 LYS 17 HG1 LYS 17 19.248 4.581 1.965 169 HD2 LYS 17 HD2 LYS 17 18.467 6.929 2.349 170 HD3 LYS 17 HD1 LYS 17 19.360 6.978 3.909 171 HE2 LYS 17 HE2 LYS 17 21.531 6.664 2.683 172 HE3 LYS 17 HE1 LYS 17 20.631 6.603 1.111 173 HZ1 LYS 17 HZ1 LYS 17 20.344 8.784 1.126 174 HZ2 LYS 17 HZ2 LYS 17 21.631 8.809 2.233 175 HZ3 LYS 17 HZ3 LYS 17 20.029 8.881 2.791 Start of MODEL 20 1 H1 GLU 1 HT1 GLU 1 8.148 -7.917 -4.099 2 H2 GLU 1 HT2 GLU 1 7.255 -7.837 -5.542 3 H3 GLU 1 HT3 GLU 1 7.216 -9.247 -4.597 4 HA GLU 1 HA GLU 1 5.384 -8.472 -3.713 5 HB2 GLU 1 HB2 GLU 1 7.103 -7.988 -1.915 6 HB3 GLU 1 HB1 GLU 1 7.256 -6.318 -2.567 7 HG2 GLU 1 HG2 GLU 1 4.850 -5.859 -2.027 8 HG3 GLU 1 HG1 GLU 1 4.662 -7.546 -1.404 9 H MET 2 HN MET 2 7.294 -5.667 -4.998 10 HA MET 2 HA MET 2 4.791 -4.705 -6.183 11 HB2 MET 2 HB2 MET 2 6.496 -3.165 -4.222 12 HB3 MET 2 HB1 MET 2 6.050 -2.297 -5.747 13 HG2 MET 2 HG2 MET 2 4.135 -1.749 -4.709 14 HG3 MET 2 HG1 MET 2 3.618 -3.435 -5.010 15 HE1 MET 2 HE1 MET 2 6.061 -1.473 -2.594 16 HE2 MET 2 HE2 MET 2 5.053 -1.425 -1.108 17 HE3 MET 2 HE3 MET 2 4.454 -0.669 -2.624 18 H ARG 3 HN ARG 3 5.220 -2.904 -7.421 19 HA ARG 3 HA ARG 3 7.311 -3.453 -9.250 20 HB2 ARG 3 HB2 ARG 3 4.461 -2.718 -9.336 21 HB3 ARG 3 HB1 ARG 3 5.447 -1.663 -10.383 22 HG2 ARG 3 HG2 ARG 3 6.313 -3.422 -11.587 23 HG3 ARG 3 HG1 ARG 3 5.729 -4.652 -10.393 24 HD2 ARG 3 HD2 ARG 3 3.377 -4.181 -11.005 25 HD3 ARG 3 HD1 ARG 3 3.910 -2.838 -12.109 26 HE ARG 3 HE ARG 3 5.281 -5.188 -12.951 27 HH11 ARG 3 HH11 ARG 3 1.951 -3.975 -12.600 28 HH12 ARG 3 HH12 ARG 3 1.310 -4.900 -13.915 29 HH21 ARG 3 HH21 ARG 3 4.410 -6.448 -14.741 30 HH22 ARG 3 HH22 ARG 3 2.732 -6.332 -15.152 31 H ILE 4 HN ILE 4 6.830 -0.995 -10.437 32 HA ILE 4 HA ILE 4 8.683 0.562 -9.931 33 HB ILE 4 HB ILE 4 6.852 2.446 -10.203 34 HG12 ILE 4 HG12 ILE 4 4.831 1.564 -11.258 35 HG13 ILE 4 HG11 ILE 4 5.468 -0.109 -11.211 36 HG21 ILE 4 HG21 ILE 4 7.015 1.951 -12.694 37 HG22 ILE 4 HG22 ILE 4 7.757 0.356 -12.288 38 HG23 ILE 4 HG23 ILE 4 8.612 1.886 -11.855 39 HD11 ILE 4 HD11 ILE 4 5.010 1.501 -8.630 40 HD12 ILE 4 HD12 ILE 4 5.165 -0.295 -8.794 41 HD13 ILE 4 HD13 ILE 4 3.684 0.554 -9.398 42 H SER 5 HN SER 5 6.344 -0.016 -7.625 43 HA SER 5 HA SER 5 6.206 2.319 -6.234 44 HB2 SER 5 HB2 SER 5 6.207 -0.536 -5.374 45 HB3 SER 5 HB1 SER 5 5.717 0.827 -4.282 46 HG SER 5 HG SER 5 3.944 1.171 -5.491 47 H ARG 6 HN ARG 6 8.191 -0.390 -6.384 48 HA ARG 6 HA ARG 6 9.700 -0.001 -4.064 49 HB2 ARG 6 HB2 ARG 6 10.831 -1.938 -4.888 50 HB3 ARG 6 HB1 ARG 6 9.098 -2.108 -5.404 51 HG2 ARG 6 HG2 ARG 6 9.789 -0.808 -7.500 52 HG3 ARG 6 HG1 ARG 6 11.488 -1.282 -7.056 53 HD2 ARG 6 HD2 ARG 6 9.131 -3.212 -7.273 54 HD3 ARG 6 HD1 ARG 6 10.339 -2.912 -8.606 55 HE ARG 6 HE ARG 6 11.714 -3.529 -6.127 56 HH11 ARG 6 HH11 ARG 6 9.712 -4.996 -8.684 57 HH12 ARG 6 HH12 ARG 6 10.409 -6.575 -8.541 58 HH21 ARG 6 HH21 ARG 6 12.662 -5.682 -5.931 59 HH22 ARG 6 HH22 ARG 6 12.113 -6.971 -6.948 60 H ILE 7 HN ILE 7 9.441 1.202 -7.216 61 HA ILE 7 HA ILE 7 12.162 1.900 -7.315 62 HB ILE 7 HB ILE 7 9.911 2.048 -9.234 63 HG12 ILE 7 HG12 ILE 7 12.546 0.599 -9.547 64 HG13 ILE 7 HG11 ILE 7 11.400 0.036 -8.285 65 HG21 ILE 7 HG21 ILE 7 11.695 2.828 -10.896 66 HG22 ILE 7 HG22 ILE 7 12.796 3.104 -9.493 67 HG23 ILE 7 HG23 ILE 7 11.267 4.052 -9.640 68 HD11 ILE 7 HD11 ILE 7 10.209 0.528 -11.004 69 HD12 ILE 7 HD12 ILE 7 9.874 -0.766 -9.782 70 HD13 ILE 7 HD13 ILE 7 11.332 -0.883 -10.859 71 H ILE 8 HN ILE 8 9.184 3.074 -6.509 72 HA ILE 8 HA ILE 8 9.995 5.828 -6.787 73 HB ILE 8 HB ILE 8 7.990 4.719 -4.883 74 HG12 ILE 8 HG12 ILE 8 7.354 3.607 -6.765 75 HG13 ILE 8 HG11 ILE 8 6.282 5.049 -6.804 76 HG21 ILE 8 HG21 ILE 8 7.230 6.927 -4.699 77 HG22 ILE 8 HG22 ILE 8 7.475 7.271 -6.454 78 HG23 ILE 8 HG23 ILE 8 8.880 7.314 -5.320 79 HD11 ILE 8 HD11 ILE 8 7.980 6.110 -8.428 80 HD12 ILE 8 HD12 ILE 8 7.126 4.646 -9.061 81 HD13 ILE 8 HD13 ILE 8 8.824 4.509 -8.459 82 H LEU 9 HN LEU 9 9.667 3.330 -4.653 83 HA LEU 9 HA LEU 9 10.475 4.428 -2.330 84 HB2 LEU 9 HB2 LEU 9 10.179 1.974 -3.739 85 HB3 LEU 9 HB1 LEU 9 11.444 1.897 -2.471 86 HG LEU 9 HG LEU 9 8.694 2.962 -1.778 87 HD11 LEU 9 HD11 LEU 9 9.452 0.001 -2.171 88 HD12 LEU 9 HD12 LEU 9 8.118 0.908 -2.969 89 HD13 LEU 9 HD13 LEU 9 8.028 0.546 -1.205 90 HD21 LEU 9 HD21 LEU 9 9.482 2.737 0.351 91 HD22 LEU 9 HD22 LEU 9 11.108 2.521 -0.426 92 HD23 LEU 9 HD23 LEU 9 10.117 1.076 0.034 93 H ASP 10 HN ASP 10 12.109 3.311 -5.076 94 HA ASP 10 HA ASP 10 14.502 3.333 -3.628 95 HB2 ASP 10 HB2 ASP 10 13.463 3.149 -6.356 96 HB3 ASP 10 HB1 ASP 10 15.138 3.792 -6.266 97 H PHE 11 HN PHE 11 12.430 5.551 -5.335 98 HA PHE 11 HA PHE 11 14.485 7.548 -5.445 99 HB2 PHE 11 HB2 PHE 11 11.552 7.507 -6.089 100 HB3 PHE 11 HB1 PHE 11 12.678 8.883 -6.532 101 HD1 PHE 11 HD1 PHE 11 11.243 7.539 -8.651 102 HD2 PHE 11 HD2 PHE 11 14.816 6.402 -6.694 103 HE1 PHE 11 HE1 PHE 11 11.839 6.036 -10.440 104 HE2 PHE 11 HE2 PHE 11 15.342 4.951 -8.279 105 HZ PHE 11 HZ PHE 11 13.937 4.717 -10.354 106 H LEU 12 HN LEU 12 12.601 6.226 -3.304 107 HA LEU 12 HA LEU 12 11.966 8.628 -2.040 108 HB2 LEU 12 HB2 LEU 12 11.512 5.759 -1.680 109 HB3 LEU 12 HB1 LEU 12 11.088 6.917 -0.349 110 HG LEU 12 HG LEU 12 10.243 7.100 -3.189 111 HD11 LEU 12 HD11 LEU 12 8.009 6.426 -1.512 112 HD12 LEU 12 HD12 LEU 12 9.384 5.307 -1.137 113 HD13 LEU 12 HD13 LEU 12 8.789 5.456 -2.828 114 HD21 LEU 12 HD21 LEU 12 8.396 8.522 -1.648 115 HD22 LEU 12 HD22 LEU 12 9.779 9.210 -2.592 116 HD23 LEU 12 HD23 LEU 12 9.983 8.835 -0.837 117 H PHE 13 HN PHE 13 13.897 5.770 -1.836 118 HA PHE 13 HA PHE 13 15.306 7.022 0.431 119 HB2 PHE 13 HB2 PHE 13 14.615 4.102 0.134 120 HB3 PHE 13 HB1 PHE 13 15.299 4.901 1.622 121 HD1 PHE 13 HD1 PHE 13 12.725 4.048 -0.423 122 HD2 PHE 13 HD2 PHE 13 13.665 6.434 2.871 123 HE1 PHE 13 HE1 PHE 13 10.557 4.349 -0.152 124 HE2 PHE 13 HE2 PHE 13 11.278 6.725 3.296 125 HZ PHE 13 HZ PHE 13 9.620 5.650 1.796 126 H DLE 14 HN DLE 14 15.218 4.953 -2.432 127 HA DLE 14 HA DLE 14 18.074 4.734 -2.124 128 HB2 DLE 14 HB2 DLE 14 18.285 3.976 -4.428 129 HB3 DLE 14 HB1 DLE 14 16.503 4.243 -4.623 130 HG DLE 14 HG DLE 14 16.927 6.523 -3.720 131 HD11 DLE 14 HD11 DLE 14 19.742 6.435 -4.719 132 HD12 DLE 14 HD12 DLE 14 19.395 5.470 -3.213 133 HD13 DLE 14 HD13 DLE 14 19.025 7.245 -3.267 134 HD21 DLE 14 HD21 DLE 14 16.707 7.255 -5.842 135 HD22 DLE 14 HD22 DLE 14 16.739 5.497 -6.246 136 HD23 DLE 14 HD23 DLE 14 18.253 6.485 -6.388 137 H ARG 15 HN ARG 15 15.666 3.434 -1.137 138 HA ARG 15 HA ARG 15 15.451 1.484 -0.303 139 HB2 ARG 15 HB2 ARG 15 15.818 0.874 -3.238 140 HB3 ARG 15 HB1 ARG 15 15.252 -0.389 -2.070 141 HG2 ARG 15 HG2 ARG 15 13.932 2.340 -1.956 142 HG3 ARG 15 HG1 ARG 15 13.527 1.273 -3.366 143 HD2 ARG 15 HD2 ARG 15 13.596 0.054 -0.560 144 HD3 ARG 15 HD1 ARG 15 12.160 1.044 -1.054 145 HE ARG 15 HE ARG 15 12.631 -0.667 -3.220 146 HH11 ARG 15 HH11 ARG 15 12.012 -0.977 0.276 147 HH12 ARG 15 HH12 ARG 15 11.222 -2.513 0.163 148 HH21 ARG 15 HH21 ARG 15 11.557 -2.774 -3.372 149 HH22 ARG 15 HH22 ARG 15 10.959 -3.552 -1.945 150 H LYS 16 HN LYS 16 17.810 2.695 -0.370 151 HA LYS 16 HA LYS 16 19.873 0.674 -0.534 152 HB2 LYS 16 HB2 LYS 16 21.450 2.617 -0.501 153 HB3 LYS 16 HB1 LYS 16 20.270 2.727 -1.867 154 HG2 LYS 16 HG2 LYS 16 18.841 4.223 -0.568 155 HG3 LYS 16 HG1 LYS 16 19.933 4.117 0.853 156 HD2 LYS 16 HD2 LYS 16 21.677 5.331 -0.274 157 HD3 LYS 16 HD1 LYS 16 20.911 5.111 -1.887 158 HE2 LYS 16 HE2 LYS 16 19.024 6.609 -1.249 159 HE3 LYS 16 HE1 LYS 16 19.694 6.772 0.429 160 HZ1 LYS 16 HZ1 LYS 16 20.210 8.573 -1.241 161 HZ2 LYS 16 HZ2 LYS 16 21.280 7.479 -1.977 162 HZ3 LYS 16 HZ3 LYS 16 21.520 7.946 -0.362 163 H LYS 17 HN LYS 17 17.656 1.892 1.533 164 HA LYS 17 HA LYS 17 19.554 1.841 3.732 165 HB2 LYS 17 HB2 LYS 17 16.896 3.290 3.918 166 HB3 LYS 17 HB1 LYS 17 18.406 3.580 4.852 167 HG2 LYS 17 HG2 LYS 17 19.508 4.498 2.820 168 HG3 LYS 17 HG1 LYS 17 18.025 4.182 1.855 169 HD2 LYS 17 HD2 LYS 17 17.964 6.518 2.420 170 HD3 LYS 17 HD1 LYS 17 16.761 5.721 3.491 171 HE2 LYS 17 HE2 LYS 17 18.371 5.767 5.395 172 HE3 LYS 17 HE1 LYS 17 19.647 6.477 4.319 173 HZ1 LYS 17 HZ1 LYS 17 18.358 8.413 4.051 174 HZ2 LYS 17 HZ2 LYS 17 18.401 8.072 5.713 175 HZ3 LYS 17 HZ3 LYS 17 17.001 7.736 4.814
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