NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
630475 | 6cou | 30433 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HT1 ALA 1 1.104 2.337 2.874 2 H2 ALA 1 HT2 ALA 1 -0.017 2.434 1.603 3 H3 ALA 1 HT3 ALA 1 -0.371 1.505 2.981 4 HA ALA 1 HA ALA 1 -1.011 3.228 4.184 5 HB1 ALA 1 HB1 ALA 1 1.343 4.155 4.242 6 HB2 ALA 1 HB2 ALA 1 0.110 5.469 4.136 7 HB3 ALA 1 HB3 ALA 1 1.027 4.971 2.663 8 H MET 2 HN MET 2 -2.238 2.342 1.735 9 HA MET 2 HA MET 2 -3.793 2.945 0.278 10 HB2 MET 2 HB2 MET 2 -3.989 5.457 2.021 11 HB3 MET 2 HB1 MET 2 -5.081 5.126 0.629 12 HG2 MET 2 HG2 MET 2 -5.873 3.052 1.677 13 HG3 MET 2 HG1 MET 2 -4.703 3.237 3.020 14 HE1 MET 2 HE1 MET 2 -7.156 6.064 1.256 15 HE2 MET 2 HE2 MET 2 -8.619 5.464 2.109 16 HE3 MET 2 HE3 MET 2 -7.648 4.341 1.096 17 H ARG 3 HN ARG 3 -1.469 3.130 -0.901 18 HA ARG 3 HA ARG 3 -1.085 5.842 -1.768 19 HB2 ARG 3 HB2 ARG 3 0.762 3.921 -1.477 20 HB3 ARG 3 HB1 ARG 3 0.246 3.515 -3.148 21 HG2 ARG 3 HG2 ARG 3 0.531 6.274 -3.311 22 HG3 ARG 3 HG1 ARG 3 1.817 5.848 -2.127 23 HD2 ARG 3 HD2 ARG 3 2.773 4.187 -3.738 24 HD3 ARG 3 HD1 ARG 3 1.454 4.587 -4.927 25 HE ARG 3 HE ARG 3 2.841 7.003 -4.090 26 HH11 ARG 3 HH11 ARG 3 3.140 4.056 -6.066 27 HH12 ARG 3 HH12 ARG 3 4.204 4.763 -7.236 28 HH21 ARG 3 HH21 ARG 3 4.282 7.969 -5.684 29 HH22 ARG 3 HH22 ARG 3 4.863 7.027 -7.014 30 H ILE 4 HN ILE 4 -3.374 5.837 -2.368 31 HA ILE 4 HA ILE 4 -3.570 4.952 -5.149 32 HB ILE 4 HB ILE 4 -6.019 5.120 -4.792 33 HG12 ILE 4 HG12 ILE 4 -5.180 5.318 -1.843 34 HG13 ILE 4 HG11 ILE 4 -5.889 6.640 -2.836 35 HG21 ILE 4 HG21 ILE 4 -4.946 2.904 -4.822 36 HG22 ILE 4 HG22 ILE 4 -6.108 2.901 -3.442 37 HG23 ILE 4 HG23 ILE 4 -4.340 3.117 -3.135 38 HD11 ILE 4 HD11 ILE 4 -7.808 5.853 -1.743 39 HD12 ILE 4 HD12 ILE 4 -7.232 4.143 -1.714 40 HD13 ILE 4 HD13 ILE 4 -7.862 4.857 -3.247 41 H SER 5 HN SER 5 -3.549 7.440 -2.761 42 HA SER 5 HA SER 5 -4.503 9.292 -4.820 43 HB2 SER 5 HB2 SER 5 -4.801 9.553 -1.769 44 HB3 SER 5 HB1 SER 5 -5.229 10.847 -2.958 45 HG SER 5 HG SER 5 -6.385 8.658 -3.797 46 H ARG 6 HN ARG 6 -1.741 8.355 -4.540 47 HA ARG 6 HA ARG 6 -0.669 10.939 -3.948 48 HB2 ARG 6 HB2 ARG 6 -0.165 9.764 -1.883 49 HB3 ARG 6 HB1 ARG 6 0.274 8.277 -2.786 50 HG2 ARG 6 HG2 ARG 6 2.221 9.657 -1.825 51 HG3 ARG 6 HG1 ARG 6 2.329 9.199 -3.559 52 HD2 ARG 6 HD2 ARG 6 2.993 11.589 -3.288 53 HD3 ARG 6 HD1 ARG 6 1.410 11.495 -4.186 54 HE ARG 6 HE ARG 6 0.319 12.443 -2.294 55 HH11 ARG 6 HH11 ARG 6 3.687 11.545 -1.533 56 HH12 ARG 6 HH12 ARG 6 3.722 12.369 -0.010 57 HH21 ARG 6 HH21 ARG 6 0.374 13.561 -0.226 58 HH22 ARG 6 HH22 ARG 6 1.808 13.534 0.744 59 H ILE 7 HN ILE 7 -1.558 9.191 -6.228 60 HA ILE 7 HA ILE 7 1.011 9.276 -7.594 61 HB ILE 7 HB ILE 7 -1.332 7.646 -8.540 62 HG12 ILE 7 HG12 ILE 7 0.108 5.757 -7.207 63 HG13 ILE 7 HG11 ILE 7 0.504 7.180 -6.175 64 HG21 ILE 7 HG21 ILE 7 0.518 7.900 -10.124 65 HG22 ILE 7 HG22 ILE 7 0.667 6.242 -9.428 66 HG23 ILE 7 HG23 ILE 7 1.748 7.564 -8.846 67 HD11 ILE 7 HD11 ILE 7 -2.316 7.325 -6.597 68 HD12 ILE 7 HD12 ILE 7 -1.444 6.880 -5.086 69 HD13 ILE 7 HD13 ILE 7 -1.960 5.593 -6.245 70 H ILE 8 HN ILE 8 -1.798 10.664 -6.913 71 HA ILE 8 HA ILE 8 -2.004 11.910 -9.528 72 HB ILE 8 HB ILE 8 -4.116 11.912 -7.359 73 HG12 ILE 8 HG12 ILE 8 -5.110 10.060 -9.087 74 HG13 ILE 8 HG11 ILE 8 -3.349 9.745 -9.296 75 HG21 ILE 8 HG21 ILE 8 -3.964 12.575 -10.365 76 HG22 ILE 8 HG22 ILE 8 -4.584 13.591 -9.008 77 HG23 ILE 8 HG23 ILE 8 -5.550 12.186 -9.598 78 HD11 ILE 8 HD11 ILE 8 -3.791 8.308 -7.500 79 HD12 ILE 8 HD12 ILE 8 -5.099 9.349 -6.825 80 HD13 ILE 8 HD13 ILE 8 -3.364 9.801 -6.582 81 H LEU 9 HN LEU 9 -0.197 12.054 -7.619 82 HA LEU 9 HA LEU 9 -0.145 14.796 -7.032 83 HB2 LEU 9 HB2 LEU 9 -0.086 12.595 -4.983 84 HB3 LEU 9 HB1 LEU 9 1.154 13.882 -4.858 85 HG LEU 9 HG LEU 9 -0.605 14.518 -3.388 86 HD11 LEU 9 HD11 LEU 9 -1.701 16.392 -5.321 87 HD12 LEU 9 HD12 LEU 9 0.040 16.124 -5.727 88 HD13 LEU 9 HD13 LEU 9 -0.432 16.670 -4.071 89 HD21 LEU 9 HD21 LEU 9 -2.801 13.983 -3.652 90 HD22 LEU 9 HD22 LEU 9 -2.257 12.990 -5.061 91 HD23 LEU 9 HD23 LEU 9 -2.866 14.673 -5.320 92 H DAS 10 HN DAS 10 0.798 11.497 -7.068 93 HA DAS 10 HA DAS 10 2.633 10.514 -7.647 94 HB2 DAS 10 HB2 DAS 10 4.150 13.126 -7.906 95 HB3 DAS 10 HB1 DAS 10 3.875 12.369 -6.290 96 H PHE 11 HN PHE 11 1.087 13.026 -9.123 97 HA PHE 11 HA PHE 11 2.337 12.491 -11.710 98 HB2 PHE 11 HB2 PHE 11 0.233 11.895 -12.536 99 HB3 PHE 11 HB1 PHE 11 -0.410 12.062 -10.848 100 HD1 PHE 11 HD1 PHE 11 0.218 13.854 -13.998 101 HD2 PHE 11 HD2 PHE 11 -1.491 13.860 -10.148 102 HE1 PHE 11 HE1 PHE 11 -0.802 15.991 -14.468 103 HE2 PHE 11 HE2 PHE 11 -2.527 15.945 -10.566 104 HZ PHE 11 HZ PHE 11 -2.252 17.076 -12.769 105 H LEU 12 HN LEU 12 0.990 14.588 -9.175 106 HA LEU 12 HA LEU 12 0.694 16.913 -10.672 107 HB2 LEU 12 HB2 LEU 12 0.993 16.103 -7.864 108 HB3 LEU 12 HB1 LEU 12 1.521 17.792 -8.165 109 HG LEU 12 HG LEU 12 -0.621 17.977 -7.492 110 HD11 LEU 12 HD11 LEU 12 -0.127 18.998 -9.838 111 HD12 LEU 12 HD12 LEU 12 -1.847 18.927 -9.292 112 HD13 LEU 12 HD13 LEU 12 -1.221 17.716 -10.473 113 HD21 LEU 12 HD21 LEU 12 -0.977 15.322 -8.780 114 HD22 LEU 12 HD22 LEU 12 -2.447 16.380 -8.693 115 HD23 LEU 12 HD23 LEU 12 -1.546 15.944 -7.193 116 H PHE 13 HN PHE 13 3.457 15.794 -8.683 117 HA PHE 13 HA PHE 13 4.805 18.202 -9.342 118 HB2 PHE 13 HB2 PHE 13 6.330 15.863 -8.159 119 HB3 PHE 13 HB1 PHE 13 6.391 17.621 -7.698 120 HD1 PHE 13 HD1 PHE 13 5.442 14.572 -6.642 121 HD2 PHE 13 HD2 PHE 13 3.971 18.492 -7.185 122 HE1 PHE 13 HE1 PHE 13 3.614 14.102 -5.163 123 HE2 PHE 13 HE2 PHE 13 2.159 18.032 -5.697 124 HZ PHE 13 HZ PHE 13 1.960 15.839 -4.690 125 H LEU 14 HN LEU 14 3.857 15.884 -11.141 126 HA LEU 14 HA LEU 14 6.377 15.522 -12.530 127 HB2 LEU 14 HB2 LEU 14 3.904 13.751 -12.482 128 HB3 LEU 14 HB1 LEU 14 5.370 13.431 -13.487 129 HG LEU 14 HG LEU 14 5.100 13.359 -10.418 130 HD11 LEU 14 HD11 LEU 14 4.566 11.333 -12.044 131 HD12 LEU 14 HD12 LEU 14 5.602 11.046 -10.593 132 HD13 LEU 14 HD13 LEU 14 6.357 11.213 -12.223 133 HD21 LEU 14 HD21 LEU 14 7.606 13.769 -12.110 134 HD22 LEU 14 HD22 LEU 14 7.704 12.642 -10.705 135 HD23 LEU 14 HD23 LEU 14 7.208 14.357 -10.451 136 H ARG 15 HN ARG 15 3.276 17.054 -12.692 137 HA ARG 15 HA ARG 15 2.812 16.495 -15.429 138 HB2 ARG 15 HB2 ARG 15 1.156 18.268 -15.406 139 HB3 ARG 15 HB1 ARG 15 0.927 17.108 -14.041 140 HG2 ARG 15 HG2 ARG 15 2.440 18.893 -12.736 141 HG3 ARG 15 HG1 ARG 15 1.855 19.989 -14.028 142 HD2 ARG 15 HD2 ARG 15 -0.077 18.222 -12.459 143 HD3 ARG 15 HD1 ARG 15 0.424 19.869 -11.856 144 HE ARG 15 HE ARG 15 -0.389 20.041 -14.633 145 HH11 ARG 15 HH11 ARG 15 -1.656 19.532 -11.342 146 HH12 ARG 15 HH12 ARG 15 -3.224 20.185 -11.680 147 HH21 ARG 15 HH21 ARG 15 -2.519 20.927 -15.091 148 HH22 ARG 15 HH22 ARG 15 -3.723 20.990 -13.847 149 H LYS 16 HN LYS 16 4.629 18.816 -13.583 150 HA LYS 16 HA LYS 16 6.095 19.797 -15.613 151 HB2 LYS 16 HB2 LYS 16 4.996 21.829 -16.397 152 HB3 LYS 16 HB1 LYS 16 3.808 20.490 -16.584 153 HG2 LYS 16 HG2 LYS 16 2.372 21.857 -15.536 154 HG3 LYS 16 HG1 LYS 16 3.198 21.313 -14.044 155 HD2 LYS 16 HD2 LYS 16 3.422 23.581 -13.692 156 HD3 LYS 16 HD1 LYS 16 4.879 23.355 -14.722 157 HE2 LYS 16 HE2 LYS 16 3.596 24.076 -16.741 158 HE3 LYS 16 HE1 LYS 16 2.094 24.247 -15.739 159 HZ1 LYS 16 HZ1 LYS 16 3.969 26.155 -16.214 160 HZ2 LYS 16 HZ2 LYS 16 4.339 25.642 -14.638 161 HZ3 LYS 16 HZ3 LYS 16 2.775 26.188 -15.007 162 H LYS 17 HN LYS 17 4.238 20.149 -12.683 163 HA LYS 17 HA LYS 17 5.461 22.368 -11.594 164 HB2 LYS 17 HB2 LYS 17 4.082 19.882 -10.489 165 HB3 LYS 17 HB1 LYS 17 4.834 21.086 -9.363 166 HG2 LYS 17 HG2 LYS 17 3.437 22.896 -10.272 167 HG3 LYS 17 HG1 LYS 17 2.780 21.804 -11.544 168 HD2 LYS 17 HD2 LYS 17 1.108 21.987 -9.813 169 HD3 LYS 17 HD1 LYS 17 1.825 20.344 -9.696 170 HE2 LYS 17 HE2 LYS 17 3.219 21.045 -7.758 171 HE3 LYS 17 HE1 LYS 17 2.616 22.748 -7.913 172 HZ1 LYS 17 HZ1 LYS 17 1.545 21.025 -6.290 173 HZ2 LYS 17 HZ2 LYS 17 0.653 20.585 -7.667 174 HZ3 LYS 17 HZ3 LYS 17 0.609 22.185 -7.103 Start of MODEL 2 1 H1 ALA 1 HT1 ALA 1 -1.162 6.451 4.392 2 H2 ALA 1 HT2 ALA 1 -0.455 5.484 3.187 3 H3 ALA 1 HT3 ALA 1 0.151 5.442 4.774 4 HA ALA 1 HA ALA 1 -1.120 3.721 5.137 5 HB1 ALA 1 HB1 ALA 1 -2.538 5.447 6.251 6 HB2 ALA 1 HB2 ALA 1 -3.590 4.180 5.512 7 HB3 ALA 1 HB3 ALA 1 -3.377 5.772 4.687 8 H MET 2 HN MET 2 -2.602 5.550 2.365 9 HA MET 2 HA MET 2 -2.868 2.937 1.045 10 HB2 MET 2 HB2 MET 2 -4.751 5.359 0.788 11 HB3 MET 2 HB1 MET 2 -4.864 3.846 -0.176 12 HG2 MET 2 HG2 MET 2 -5.303 2.532 1.892 13 HG3 MET 2 HG1 MET 2 -5.154 4.017 2.882 14 HE1 MET 2 HE1 MET 2 -7.455 2.121 3.206 15 HE2 MET 2 HE2 MET 2 -8.884 3.209 3.268 16 HE3 MET 2 HE3 MET 2 -7.348 3.698 4.063 17 H ARG 3 HN ARG 3 -2.061 2.905 -1.103 18 HA ARG 3 HA ARG 3 -0.898 5.450 -1.870 19 HB2 ARG 3 HB2 ARG 3 0.370 3.061 -1.822 20 HB3 ARG 3 HB1 ARG 3 -0.400 2.924 -3.440 21 HG2 ARG 3 HG2 ARG 3 0.849 5.572 -3.007 22 HG3 ARG 3 HG1 ARG 3 2.029 4.224 -2.831 23 HD2 ARG 3 HD2 ARG 3 0.100 4.326 -5.227 24 HD3 ARG 3 HD1 ARG 3 1.677 5.236 -5.239 25 HE ARG 3 HE ARG 3 2.260 2.577 -4.400 26 HH11 ARG 3 HH11 ARG 3 0.919 4.306 -7.209 27 HH12 ARG 3 HH12 ARG 3 1.475 3.156 -8.378 28 HH21 ARG 3 HH21 ARG 3 3.019 1.012 -5.989 29 HH22 ARG 3 HH22 ARG 3 2.690 1.251 -7.672 30 H ILE 4 HN ILE 4 -3.124 6.095 -2.168 31 HA ILE 4 HA ILE 4 -3.985 5.338 -4.854 32 HB ILE 4 HB ILE 4 -6.213 6.137 -4.143 33 HG12 ILE 4 HG12 ILE 4 -4.922 6.129 -1.358 34 HG13 ILE 4 HG11 ILE 4 -5.407 7.583 -2.300 35 HG21 ILE 4 HG21 ILE 4 -6.692 4.032 -2.711 36 HG22 ILE 4 HG22 ILE 4 -4.906 3.771 -2.637 37 HG23 ILE 4 HG23 ILE 4 -5.762 3.713 -4.225 38 HD11 ILE 4 HD11 ILE 4 -7.222 7.247 -0.786 39 HD12 ILE 4 HD12 ILE 4 -7.215 5.457 -1.018 40 HD13 ILE 4 HD13 ILE 4 -7.816 6.537 -2.334 41 H SER 5 HN SER 5 -2.851 7.660 -2.616 42 HA SER 5 HA SER 5 -3.680 9.772 -4.478 43 HB2 SER 5 HB2 SER 5 -3.113 10.006 -1.458 44 HB3 SER 5 HB1 SER 5 -3.449 11.403 -2.558 45 HG SER 5 HG SER 5 -5.356 10.900 -1.729 46 H ARG 6 HN ARG 6 -1.278 8.086 -4.855 47 HA ARG 6 HA ARG 6 0.481 10.309 -4.799 48 HB2 ARG 6 HB2 ARG 6 1.167 9.165 -2.729 49 HB3 ARG 6 HB1 ARG 6 1.196 7.591 -3.599 50 HG2 ARG 6 HG2 ARG 6 3.468 8.817 -3.199 51 HG3 ARG 6 HG1 ARG 6 3.130 8.132 -4.822 52 HD2 ARG 6 HD2 ARG 6 4.096 10.410 -5.083 53 HD3 ARG 6 HD1 ARG 6 2.348 10.445 -5.595 54 HE ARG 6 HE ARG 6 1.849 11.758 -3.669 55 HH11 ARG 6 HH11 ARG 6 5.185 10.500 -3.560 56 HH12 ARG 6 HH12 ARG 6 5.681 11.504 -2.239 57 HH21 ARG 6 HH21 ARG 6 2.529 13.119 -1.875 58 HH22 ARG 6 HH22 ARG 6 4.146 13.016 -1.266 59 H ILE 7 HN ILE 7 -1.086 9.436 -6.723 60 HA ILE 7 HA ILE 7 0.865 8.384 -8.563 61 HB ILE 7 HB ILE 7 -2.055 7.667 -8.881 62 HG12 ILE 7 HG12 ILE 7 -1.069 5.361 -7.794 63 HG13 ILE 7 HG11 ILE 7 -0.077 6.553 -6.885 64 HG21 ILE 7 HG21 ILE 7 0.613 6.348 -9.746 65 HG22 ILE 7 HG22 ILE 7 -0.445 7.379 -10.785 66 HG23 ILE 7 HG23 ILE 7 -1.039 5.779 -10.197 67 HD11 ILE 7 HD11 ILE 7 -3.137 6.315 -6.943 68 HD12 ILE 7 HD12 ILE 7 -2.280 7.779 -6.325 69 HD13 ILE 7 HD13 ILE 7 -2.018 6.181 -5.532 70 H ILE 8 HN ILE 8 -2.155 9.965 -7.763 71 HA ILE 8 HA ILE 8 -2.131 11.605 -10.069 72 HB ILE 8 HB ILE 8 -3.338 12.339 -7.374 73 HG12 ILE 8 HG12 ILE 8 -5.401 10.970 -8.327 74 HG13 ILE 8 HG11 ILE 8 -4.126 10.053 -9.206 75 HG21 ILE 8 HG21 ILE 8 -4.071 12.761 -10.351 76 HG22 ILE 8 HG22 ILE 8 -3.609 14.007 -9.129 77 HG23 ILE 8 HG23 ILE 8 -5.197 13.159 -8.998 78 HD11 ILE 8 HD11 ILE 8 -4.924 9.821 -6.391 79 HD12 ILE 8 HD12 ILE 8 -3.189 10.336 -6.476 80 HD13 ILE 8 HD13 ILE 8 -3.730 8.835 -7.321 81 H LEU 9 HN LEU 9 -1.027 11.702 -6.674 82 HA LEU 9 HA LEU 9 -0.033 14.263 -7.148 83 HB2 LEU 9 HB2 LEU 9 0.445 12.114 -5.107 84 HB3 LEU 9 HB1 LEU 9 1.467 13.585 -5.150 85 HG LEU 9 HG LEU 9 -0.416 13.799 -3.509 86 HD11 LEU 9 HD11 LEU 9 0.183 15.667 -5.754 87 HD12 LEU 9 HD12 LEU 9 -0.013 15.999 -3.987 88 HD13 LEU 9 HD13 LEU 9 -1.464 15.925 -5.059 89 HD21 LEU 9 HD21 LEU 9 -1.989 12.360 -5.075 90 HD22 LEU 9 HD22 LEU 9 -2.356 13.934 -5.885 91 HD23 LEU 9 HD23 LEU 9 -2.714 13.718 -4.125 92 H DAS 10 HN DAS 10 0.806 11.001 -7.675 93 HA DAS 10 HA DAS 10 2.579 10.088 -8.496 94 HB2 DAS 10 HB2 DAS 10 4.151 12.655 -8.500 95 HB3 DAS 10 HB1 DAS 10 3.799 11.838 -6.932 96 H PHE 11 HN PHE 11 0.856 12.657 -9.587 97 HA PHE 11 HA PHE 11 2.104 12.545 -12.255 98 HB2 PHE 11 HB2 PHE 11 -0.032 12.086 -13.111 99 HB3 PHE 11 HB1 PHE 11 -0.653 12.078 -11.403 100 HD1 PHE 11 HD1 PHE 11 0.171 14.374 -14.227 101 HD2 PHE 11 HD2 PHE 11 -1.926 13.669 -10.665 102 HE1 PHE 11 HE1 PHE 11 -0.799 16.586 -14.346 103 HE2 PHE 11 HE2 PHE 11 -2.806 15.809 -10.655 104 HZ PHE 11 HZ PHE 11 -2.354 17.361 -12.570 105 H LEU 12 HN LEU 12 0.865 14.319 -9.443 106 HA LEU 12 HA LEU 12 0.592 16.819 -10.616 107 HB2 LEU 12 HB2 LEU 12 0.872 15.602 -7.985 108 HB3 LEU 12 HB1 LEU 12 1.506 17.280 -8.004 109 HG LEU 12 HG LEU 12 -0.583 17.615 -7.356 110 HD11 LEU 12 HD11 LEU 12 -0.123 18.648 -9.720 111 HD12 LEU 12 HD12 LEU 12 -1.797 18.732 -9.041 112 HD13 LEU 12 HD13 LEU 12 -1.385 17.494 -10.285 113 HD21 LEU 12 HD21 LEU 12 -2.601 16.255 -8.123 114 HD22 LEU 12 HD22 LEU 12 -1.328 15.372 -7.188 115 HD23 LEU 12 HD23 LEU 12 -1.418 15.199 -8.977 116 H PHE 13 HN PHE 13 3.434 15.463 -8.882 117 HA PHE 13 HA PHE 13 4.734 17.960 -9.319 118 HB2 PHE 13 HB2 PHE 13 6.292 15.493 -8.468 119 HB3 PHE 13 HB1 PHE 13 6.442 17.207 -7.871 120 HD1 PHE 13 HD1 PHE 13 5.361 14.092 -7.095 121 HD2 PHE 13 HD2 PHE 13 4.169 18.140 -7.084 122 HE1 PHE 13 HE1 PHE 13 3.595 13.572 -5.572 123 HE2 PHE 13 HE2 PHE 13 2.415 17.631 -5.533 124 HZ PHE 13 HZ PHE 13 2.117 15.355 -4.769 125 H LEU 14 HN LEU 14 3.751 15.800 -11.317 126 HA LEU 14 HA LEU 14 6.230 15.636 -12.806 127 HB2 LEU 14 HB2 LEU 14 3.735 13.904 -12.946 128 HB3 LEU 14 HB1 LEU 14 5.184 13.698 -14.004 129 HG LEU 14 HG LEU 14 4.930 13.226 -10.970 130 HD11 LEU 14 HD11 LEU 14 6.213 11.371 -13.070 131 HD12 LEU 14 HD12 LEU 14 4.426 11.423 -12.839 132 HD13 LEU 14 HD13 LEU 14 5.502 10.961 -11.465 133 HD21 LEU 14 HD21 LEU 14 7.535 12.603 -11.288 134 HD22 LEU 14 HD22 LEU 14 7.022 14.286 -10.894 135 HD23 LEU 14 HD23 LEU 14 7.454 13.847 -12.591 136 H ARG 15 HN ARG 15 3.261 17.337 -12.702 137 HA ARG 15 HA ARG 15 2.867 17.180 -15.545 138 HB2 ARG 15 HB2 ARG 15 1.175 19.054 -15.084 139 HB3 ARG 15 HB1 ARG 15 0.816 17.376 -14.548 140 HG2 ARG 15 HG2 ARG 15 0.765 17.951 -12.359 141 HG3 ARG 15 HG1 ARG 15 2.276 18.907 -12.493 142 HD2 ARG 15 HD2 ARG 15 0.958 20.736 -12.183 143 HD3 ARG 15 HD1 ARG 15 0.431 20.475 -13.906 144 HE ARG 15 HE ARG 15 -1.118 18.817 -12.076 145 HH11 ARG 15 HH11 ARG 15 -0.648 22.131 -13.295 146 HH12 ARG 15 HH12 ARG 15 -2.283 22.631 -13.017 147 HH21 ARG 15 HH21 ARG 15 -3.343 19.497 -11.697 148 HH22 ARG 15 HH22 ARG 15 -3.840 21.108 -12.092 149 H LYS 16 HN LYS 16 3.792 19.582 -13.089 150 HA LYS 16 HA LYS 16 5.657 20.771 -14.784 151 HB2 LYS 16 HB2 LYS 16 4.466 22.846 -15.327 152 HB3 LYS 16 HB1 LYS 16 3.609 21.416 -16.016 153 HG2 LYS 16 HG2 LYS 16 1.735 21.852 -14.884 154 HG3 LYS 16 HG1 LYS 16 2.616 21.947 -13.319 155 HD2 LYS 16 HD2 LYS 16 3.234 24.287 -13.762 156 HD3 LYS 16 HD1 LYS 16 2.466 24.220 -15.385 157 HE2 LYS 16 HE2 LYS 16 0.219 23.902 -14.349 158 HE3 LYS 16 HE1 LYS 16 0.967 23.855 -12.698 159 HZ1 LYS 16 HZ1 LYS 16 1.931 26.143 -13.770 160 HZ2 LYS 16 HZ2 LYS 16 0.601 26.012 -12.722 161 HZ3 LYS 16 HZ3 LYS 16 0.357 26.087 -14.401 162 H LYS 17 HN LYS 17 5.326 19.710 -12.170 163 HA LYS 17 HA LYS 17 5.686 22.151 -10.602 164 HB2 LYS 17 HB2 LYS 17 3.998 19.673 -10.012 165 HB3 LYS 17 HB1 LYS 17 4.713 20.627 -8.654 166 HG2 LYS 17 HG2 LYS 17 3.562 22.687 -9.494 167 HG3 LYS 17 HG1 LYS 17 2.854 21.738 -10.850 168 HD2 LYS 17 HD2 LYS 17 1.571 20.350 -9.302 169 HD3 LYS 17 HD1 LYS 17 2.418 21.052 -7.883 170 HE2 LYS 17 HE2 LYS 17 0.147 22.048 -8.110 171 HE3 LYS 17 HE1 LYS 17 1.403 23.315 -8.431 172 HZ1 LYS 17 HZ1 LYS 17 1.042 23.122 -10.725 173 HZ2 LYS 17 HZ2 LYS 17 -0.497 23.206 -10.008 174 HZ3 LYS 17 HZ3 LYS 17 0.100 21.717 -10.570 Start of MODEL 3 1 H1 ALA 1 HT1 ALA 1 -0.884 5.495 3.175 2 H2 ALA 1 HT2 ALA 1 -0.476 5.555 4.823 3 H3 ALA 1 HT3 ALA 1 -1.885 6.324 4.268 4 HA ALA 1 HA ALA 1 -1.466 3.636 5.056 5 HB1 ALA 1 HB1 ALA 1 -3.270 5.094 5.983 6 HB2 ALA 1 HB2 ALA 1 -4.003 3.671 5.151 7 HB3 ALA 1 HB3 ALA 1 -3.973 5.278 4.331 8 H MET 2 HN MET 2 -2.897 5.211 2.107 9 HA MET 2 HA MET 2 -2.567 2.603 0.798 10 HB2 MET 2 HB2 MET 2 -4.835 4.646 0.401 11 HB3 MET 2 HB1 MET 2 -4.545 3.228 -0.667 12 HG2 MET 2 HG2 MET 2 -4.953 1.671 1.212 13 HG3 MET 2 HG1 MET 2 -5.138 3.043 2.347 14 HE1 MET 2 HE1 MET 2 -6.614 2.515 -1.465 15 HE2 MET 2 HE2 MET 2 -7.951 1.445 -0.920 16 HE3 MET 2 HE3 MET 2 -6.247 1.021 -0.534 17 H ARG 3 HN ARG 3 -1.556 2.736 -1.267 18 HA ARG 3 HA ARG 3 -0.696 5.429 -1.891 19 HB2 ARG 3 HB2 ARG 3 0.943 3.441 -1.807 20 HB3 ARG 3 HB1 ARG 3 0.115 2.865 -3.295 21 HG2 ARG 3 HG2 ARG 3 0.605 5.149 -4.336 22 HG3 ARG 3 HG1 ARG 3 1.629 5.503 -2.900 23 HD2 ARG 3 HD2 ARG 3 2.007 3.055 -4.723 24 HD3 ARG 3 HD1 ARG 3 2.942 4.603 -4.885 25 HE ARG 3 HE ARG 3 3.215 2.569 -2.727 26 HH11 ARG 3 HH11 ARG 3 3.876 5.869 -3.908 27 HH12 ARG 3 HH12 ARG 3 5.230 6.136 -2.862 28 HH21 ARG 3 HH21 ARG 3 5.054 2.936 -1.307 29 HH22 ARG 3 HH22 ARG 3 5.909 4.440 -1.359 30 H ILE 4 HN ILE 4 -2.975 5.853 -2.344 31 HA ILE 4 HA ILE 4 -3.486 5.155 -5.138 32 HB ILE 4 HB ILE 4 -5.862 5.656 -4.592 33 HG12 ILE 4 HG12 ILE 4 -4.797 5.546 -1.715 34 HG13 ILE 4 HG11 ILE 4 -5.360 7.018 -2.578 35 HG21 ILE 4 HG21 ILE 4 -6.219 3.396 -3.436 36 HG22 ILE 4 HG22 ILE 4 -4.444 3.338 -3.103 37 HG23 ILE 4 HG23 ILE 4 -5.045 3.312 -4.806 38 HD11 ILE 4 HD11 ILE 4 -7.559 5.335 -2.910 39 HD12 ILE 4 HD12 ILE 4 -7.384 6.561 -1.598 40 HD13 ILE 4 HD13 ILE 4 -6.959 4.836 -1.284 41 H SER 5 HN SER 5 -2.903 7.452 -2.659 42 HA SER 5 HA SER 5 -3.878 9.565 -4.438 43 HB2 SER 5 HB2 SER 5 -3.311 9.690 -1.412 44 HB3 SER 5 HB1 SER 5 -3.826 11.097 -2.427 45 HG SER 5 HG SER 5 -5.675 10.374 -1.714 46 H ARG 6 HN ARG 6 -1.225 7.983 -4.485 47 HA ARG 6 HA ARG 6 0.301 10.414 -4.497 48 HB2 ARG 6 HB2 ARG 6 1.097 9.231 -2.496 49 HB3 ARG 6 HB1 ARG 6 1.175 7.689 -3.415 50 HG2 ARG 6 HG2 ARG 6 3.402 8.997 -2.998 51 HG3 ARG 6 HG1 ARG 6 3.081 8.342 -4.636 52 HD2 ARG 6 HD2 ARG 6 3.946 10.661 -4.846 53 HD3 ARG 6 HD1 ARG 6 2.190 10.640 -5.333 54 HE ARG 6 HE ARG 6 1.668 11.878 -3.362 55 HH11 ARG 6 HH11 ARG 6 5.056 10.763 -3.346 56 HH12 ARG 6 HH12 ARG 6 5.533 11.750 -2.006 57 HH21 ARG 6 HH21 ARG 6 2.321 13.214 -1.540 58 HH22 ARG 6 HH22 ARG 6 3.952 13.164 -0.962 59 H ILE 7 HN ILE 7 -1.287 9.449 -6.388 60 HA ILE 7 HA ILE 7 0.663 8.523 -8.311 61 HB ILE 7 HB ILE 7 -2.033 8.026 -9.207 62 HG12 ILE 7 HG12 ILE 7 -2.434 7.978 -6.690 63 HG13 ILE 7 HG11 ILE 7 -2.910 6.501 -7.599 64 HG21 ILE 7 HG21 ILE 7 -0.152 6.872 -10.202 65 HG22 ILE 7 HG22 ILE 7 -1.072 5.608 -9.301 66 HG23 ILE 7 HG23 ILE 7 0.444 6.290 -8.600 67 HD11 ILE 7 HD11 ILE 7 -0.108 6.480 -6.492 68 HD12 ILE 7 HD12 ILE 7 -1.362 5.182 -6.507 69 HD13 ILE 7 HD13 ILE 7 -1.434 6.494 -5.267 70 H ILE 8 HN ILE 8 -2.236 10.228 -7.388 71 HA ILE 8 HA ILE 8 -2.257 11.875 -9.667 72 HB ILE 8 HB ILE 8 -3.353 12.469 -6.877 73 HG12 ILE 8 HG12 ILE 8 -5.515 11.417 -8.017 74 HG13 ILE 8 HG11 ILE 8 -4.299 10.531 -9.005 75 HG21 ILE 8 HG21 ILE 8 -5.106 13.707 -8.284 76 HG22 ILE 8 HG22 ILE 8 -4.124 13.334 -9.752 77 HG23 ILE 8 HG23 ILE 8 -3.436 14.369 -8.444 78 HD11 ILE 8 HD11 ILE 8 -3.989 9.050 -7.302 79 HD12 ILE 8 HD12 ILE 8 -5.171 9.946 -6.277 80 HD13 ILE 8 HD13 ILE 8 -3.414 10.386 -6.232 81 H LEU 9 HN LEU 9 -1.052 12.034 -6.303 82 HA LEU 9 HA LEU 9 -0.028 14.563 -6.903 83 HB2 LEU 9 HB2 LEU 9 0.360 12.509 -4.766 84 HB3 LEU 9 HB1 LEU 9 1.533 13.862 -4.915 85 HG LEU 9 HG LEU 9 -0.302 14.338 -3.249 86 HD11 LEU 9 HD11 LEU 9 0.432 16.432 -3.839 87 HD12 LEU 9 HD12 LEU 9 -1.110 16.540 -4.772 88 HD13 LEU 9 HD13 LEU 9 0.415 16.051 -5.606 89 HD21 LEU 9 HD21 LEU 9 -2.193 14.518 -5.677 90 HD22 LEU 9 HD22 LEU 9 -2.607 14.631 -3.920 91 HD23 LEU 9 HD23 LEU 9 -2.081 13.054 -4.626 92 H DAS 10 HN DAS 10 0.740 11.279 -7.359 93 HA DAS 10 HA DAS 10 2.501 10.315 -8.164 94 HB2 DAS 10 HB2 DAS 10 4.100 12.865 -8.334 95 HB3 DAS 10 HB1 DAS 10 3.823 12.106 -6.722 96 H PHE 11 HN PHE 11 0.769 12.852 -9.311 97 HA PHE 11 HA PHE 11 1.930 12.605 -12.011 98 HB2 PHE 11 HB2 PHE 11 -0.252 12.204 -12.783 99 HB3 PHE 11 HB1 PHE 11 -0.814 12.270 -11.057 100 HD1 PHE 11 HD1 PHE 11 -0.003 14.447 -13.977 101 HD2 PHE 11 HD2 PHE 11 -2.004 13.933 -10.326 102 HE1 PHE 11 HE1 PHE 11 -0.894 16.691 -14.137 103 HE2 PHE 11 HE2 PHE 11 -2.808 16.104 -10.363 104 HZ PHE 11 HZ PHE 11 -2.360 17.579 -12.338 105 H LEU 12 HN LEU 12 0.850 14.526 -9.234 106 HA LEU 12 HA LEU 12 0.606 16.981 -10.484 107 HB2 LEU 12 HB2 LEU 12 0.960 15.852 -7.828 108 HB3 LEU 12 HB1 LEU 12 1.658 17.502 -7.933 109 HG LEU 12 HG LEU 12 -0.389 17.935 -7.202 110 HD11 LEU 12 HD11 LEU 12 -1.640 19.040 -8.870 111 HD12 LEU 12 HD12 LEU 12 -1.303 17.761 -10.098 112 HD13 LEU 12 HD13 LEU 12 0.005 18.895 -9.600 113 HD21 LEU 12 HD21 LEU 12 -1.332 15.477 -8.682 114 HD22 LEU 12 HD22 LEU 12 -2.491 16.625 -7.914 115 HD23 LEU 12 HD23 LEU 12 -1.248 15.772 -6.910 116 H PHE 13 HN PHE 13 3.478 15.622 -8.803 117 HA PHE 13 HA PHE 13 4.850 18.042 -9.418 118 HB2 PHE 13 HB2 PHE 13 6.374 15.585 -8.503 119 HB3 PHE 13 HB1 PHE 13 6.562 17.315 -7.971 120 HD1 PHE 13 HD1 PHE 13 5.488 14.246 -7.041 121 HD2 PHE 13 HD2 PHE 13 4.312 18.297 -7.159 122 HE1 PHE 13 HE1 PHE 13 3.771 13.800 -5.437 123 HE2 PHE 13 HE2 PHE 13 2.610 17.862 -5.535 124 HZ PHE 13 HZ PHE 13 2.330 15.622 -4.666 125 H LEU 14 HN LEU 14 3.709 15.891 -11.293 126 HA LEU 14 HA LEU 14 6.133 15.542 -12.844 127 HB2 LEU 14 HB2 LEU 14 3.575 13.899 -12.815 128 HB3 LEU 14 HB1 LEU 14 4.965 13.602 -13.932 129 HG LEU 14 HG LEU 14 4.835 13.243 -10.875 130 HD11 LEU 14 HD11 LEU 14 5.941 11.278 -12.979 131 HD12 LEU 14 HD12 LEU 14 4.174 11.397 -12.641 132 HD13 LEU 14 HD13 LEU 14 5.318 10.941 -11.321 133 HD21 LEU 14 HD21 LEU 14 7.296 13.737 -12.623 134 HD22 LEU 14 HD22 LEU 14 7.402 12.502 -11.312 135 HD23 LEU 14 HD23 LEU 14 6.967 14.206 -10.911 136 H ARG 15 HN ARG 15 3.193 17.305 -12.698 137 HA ARG 15 HA ARG 15 2.550 17.036 -15.447 138 HB2 ARG 15 HB2 ARG 15 1.048 18.926 -15.164 139 HB3 ARG 15 HB1 ARG 15 0.786 17.649 -13.916 140 HG2 ARG 15 HG2 ARG 15 2.499 19.170 -12.517 141 HG3 ARG 15 HG1 ARG 15 1.927 20.439 -13.650 142 HD2 ARG 15 HD2 ARG 15 -0.047 18.634 -12.171 143 HD3 ARG 15 HD1 ARG 15 0.600 20.164 -11.420 144 HE ARG 15 HE ARG 15 -0.337 20.709 -14.108 145 HH11 ARG 15 HH11 ARG 15 -1.468 19.900 -10.828 146 HH12 ARG 15 HH12 ARG 15 -3.000 20.690 -10.996 147 HH21 ARG 15 HH21 ARG 15 -2.417 21.783 -14.335 148 HH22 ARG 15 HH22 ARG 15 -3.549 21.777 -13.023 149 H LYS 16 HN LYS 16 4.564 19.077 -13.464 150 HA LYS 16 HA LYS 16 6.073 20.116 -15.426 151 HB2 LYS 16 HB2 LYS 16 5.093 22.231 -16.101 152 HB3 LYS 16 HB1 LYS 16 3.797 21.004 -16.306 153 HG2 LYS 16 HG2 LYS 16 2.523 22.480 -15.187 154 HG3 LYS 16 HG1 LYS 16 3.280 21.741 -13.743 155 HD2 LYS 16 HD2 LYS 16 4.881 23.545 -13.527 156 HD3 LYS 16 HD1 LYS 16 4.506 24.174 -15.167 157 HE2 LYS 16 HE2 LYS 16 2.199 24.820 -14.396 158 HE3 LYS 16 HE1 LYS 16 2.586 24.192 -12.740 159 HZ1 LYS 16 HZ1 LYS 16 3.138 26.692 -13.833 160 HZ2 LYS 16 HZ2 LYS 16 4.630 25.923 -13.578 161 HZ3 LYS 16 HZ3 LYS 16 3.532 26.094 -12.293 162 H LYS 17 HN LYS 17 4.216 20.379 -12.489 163 HA LYS 17 HA LYS 17 5.532 22.397 -11.181 164 HB2 LYS 17 HB2 LYS 17 4.266 19.767 -10.214 165 HB3 LYS 17 HB1 LYS 17 4.843 21.051 -9.076 166 HG2 LYS 17 HG2 LYS 17 2.776 21.537 -11.309 167 HG3 LYS 17 HG1 LYS 17 2.337 21.085 -9.622 168 HD2 LYS 17 HD2 LYS 17 3.591 23.142 -8.807 169 HD3 LYS 17 HD1 LYS 17 3.875 23.603 -10.520 170 HE2 LYS 17 HE2 LYS 17 1.395 23.738 -10.904 171 HE3 LYS 17 HE1 LYS 17 1.107 23.267 -9.177 172 HZ1 LYS 17 HZ1 LYS 17 1.555 25.790 -10.216 173 HZ2 LYS 17 HZ2 LYS 17 2.946 25.407 -9.321 174 HZ3 LYS 17 HZ3 LYS 17 1.418 25.335 -8.586 Start of MODEL 4 1 H1 ALA 1 HT1 ALA 1 -3.317 5.415 5.452 2 H2 ALA 1 HT2 ALA 1 -3.878 4.999 3.903 3 H3 ALA 1 HT3 ALA 1 -2.999 6.435 4.132 4 HA ALA 1 HA ALA 1 -1.065 5.442 3.995 5 HB1 ALA 1 HB1 ALA 1 -2.281 3.103 5.594 6 HB2 ALA 1 HB2 ALA 1 -1.350 4.479 6.296 7 HB3 ALA 1 HB3 ALA 1 -0.527 3.294 5.214 8 H MET 2 HN MET 2 -2.573 5.393 1.768 9 HA MET 2 HA MET 2 -1.968 2.738 0.705 10 HB2 MET 2 HB2 MET 2 -4.532 3.007 1.189 11 HB3 MET 2 HB1 MET 2 -4.491 4.320 -0.048 12 HG2 MET 2 HG2 MET 2 -5.246 2.263 -1.107 13 HG3 MET 2 HG1 MET 2 -3.630 2.699 -1.741 14 HE1 MET 2 HE1 MET 2 -5.031 -0.841 0.805 15 HE2 MET 2 HE2 MET 2 -5.908 0.619 0.230 16 HE3 MET 2 HE3 MET 2 -4.848 0.721 1.678 17 H ARG 3 HN ARG 3 -0.928 2.931 -1.353 18 HA ARG 3 HA ARG 3 -0.615 5.694 -2.141 19 HB2 ARG 3 HB2 ARG 3 1.386 4.079 -2.013 20 HB3 ARG 3 HB1 ARG 3 0.677 3.291 -3.465 21 HG2 ARG 3 HG2 ARG 3 0.728 5.491 -4.666 22 HG3 ARG 3 HG1 ARG 3 1.495 6.242 -3.226 23 HD2 ARG 3 HD2 ARG 3 3.436 4.635 -3.460 24 HD3 ARG 3 HD1 ARG 3 2.666 3.993 -4.978 25 HE ARG 3 HE ARG 3 2.832 6.850 -5.202 26 HH11 ARG 3 HH11 ARG 3 4.905 3.964 -4.988 27 HH12 ARG 3 HH12 ARG 3 6.183 4.617 -5.958 28 HH21 ARG 3 HH21 ARG 3 4.565 7.742 -6.531 29 HH22 ARG 3 HH22 ARG 3 5.984 6.802 -6.850 30 H ILE 4 HN ILE 4 -2.907 5.725 -2.640 31 HA ILE 4 HA ILE 4 -3.212 4.889 -5.428 32 HB ILE 4 HB ILE 4 -5.663 5.022 -4.963 33 HG12 ILE 4 HG12 ILE 4 -4.671 5.038 -2.059 34 HG13 ILE 4 HG11 ILE 4 -5.443 6.411 -2.926 35 HG21 ILE 4 HG21 ILE 4 -4.852 2.799 -5.206 36 HG22 ILE 4 HG22 ILE 4 -5.527 2.732 -3.532 37 HG23 ILE 4 HG23 ILE 4 -3.750 2.941 -3.783 38 HD11 ILE 4 HD11 ILE 4 -6.709 3.821 -1.917 39 HD12 ILE 4 HD12 ILE 4 -7.431 4.660 -3.341 40 HD13 ILE 4 HD13 ILE 4 -7.285 5.523 -1.763 41 H SER 5 HN SER 5 -3.184 7.267 -2.926 42 HA SER 5 HA SER 5 -4.333 9.180 -4.820 43 HB2 SER 5 HB2 SER 5 -4.097 9.408 -1.756 44 HB3 SER 5 HB1 SER 5 -4.751 10.697 -2.844 45 HG SER 5 HG SER 5 -6.077 8.623 -3.523 46 H ARG 6 HN ARG 6 -1.492 8.021 -4.522 47 HA ARG 6 HA ARG 6 -0.308 10.632 -4.339 48 HB2 ARG 6 HB2 ARG 6 0.253 8.612 -2.552 49 HB3 ARG 6 HB1 ARG 6 1.469 8.290 -3.846 50 HG2 ARG 6 HG2 ARG 6 0.990 11.014 -2.528 51 HG3 ARG 6 HG1 ARG 6 2.297 9.870 -2.054 52 HD2 ARG 6 HD2 ARG 6 1.966 10.862 -4.961 53 HD3 ARG 6 HD1 ARG 6 2.958 11.776 -3.731 54 HE ARG 6 HE ARG 6 3.628 9.164 -4.969 55 HH11 ARG 6 HH11 ARG 6 4.164 11.463 -2.296 56 HH12 ARG 6 HH12 ARG 6 5.724 10.843 -1.875 57 HH21 ARG 6 HH21 ARG 6 5.741 8.317 -4.384 58 HH22 ARG 6 HH22 ARG 6 6.635 9.025 -3.082 59 H ILE 7 HN ILE 7 -1.649 9.272 -6.416 60 HA ILE 7 HA ILE 7 0.624 9.002 -8.197 61 HB ILE 7 HB ILE 7 -1.782 8.014 -9.376 62 HG12 ILE 7 HG12 ILE 7 -2.478 7.796 -6.946 63 HG13 ILE 7 HG11 ILE 7 -2.519 6.277 -7.908 64 HG21 ILE 7 HG21 ILE 7 0.392 7.279 -10.149 65 HG22 ILE 7 HG22 ILE 7 -0.356 5.828 -9.382 66 HG23 ILE 7 HG23 ILE 7 0.900 6.770 -8.494 67 HD11 ILE 7 HD11 ILE 7 0.084 6.759 -6.495 68 HD12 ILE 7 HD12 ILE 7 -0.928 5.266 -6.584 69 HD13 ILE 7 HD13 ILE 7 -1.337 6.568 -5.400 70 H ILE 8 HN ILE 8 -1.851 10.757 -6.965 71 HA ILE 8 HA ILE 8 -2.215 12.226 -9.427 72 HB ILE 8 HB ILE 8 -4.143 12.154 -7.095 73 HG12 ILE 8 HG12 ILE 8 -5.398 10.561 -8.926 74 HG13 ILE 8 HG11 ILE 8 -3.682 10.136 -9.267 75 HG21 ILE 8 HG21 ILE 8 -5.708 12.712 -9.229 76 HG22 ILE 8 HG22 ILE 8 -4.138 13.167 -9.996 77 HG23 ILE 8 HG23 ILE 8 -4.685 14.003 -8.493 78 HD11 ILE 8 HD11 ILE 8 -5.247 9.784 -6.638 79 HD12 ILE 8 HD12 ILE 8 -3.439 9.825 -6.652 80 HD13 ILE 8 HD13 ILE 8 -4.326 8.557 -7.585 81 H LEU 9 HN LEU 9 -0.260 12.093 -7.629 82 HA LEU 9 HA LEU 9 -0.000 14.773 -6.861 83 HB2 LEU 9 HB2 LEU 9 -0.204 12.512 -4.934 84 HB3 LEU 9 HB1 LEU 9 1.294 13.493 -4.801 85 HG LEU 9 HG LEU 9 -0.258 14.405 -3.222 86 HD11 LEU 9 HD11 LEU 9 0.584 15.994 -5.552 87 HD12 LEU 9 HD12 LEU 9 0.456 16.473 -3.815 88 HD13 LEU 9 HD13 LEU 9 -0.978 16.622 -4.899 89 HD21 LEU 9 HD21 LEU 9 -2.254 13.376 -4.861 90 HD22 LEU 9 HD22 LEU 9 -2.453 15.154 -5.116 91 HD23 LEU 9 HD23 LEU 9 -2.531 14.466 -3.446 92 H DAS 10 HN DAS 10 0.710 11.432 -7.137 93 HA DAS 10 HA DAS 10 2.459 10.377 -7.864 94 HB2 DAS 10 HB2 DAS 10 4.151 12.879 -8.178 95 HB3 DAS 10 HB1 DAS 10 3.916 12.159 -6.541 96 H PHE 11 HN PHE 11 0.954 13.032 -9.107 97 HA PHE 11 HA PHE 11 2.001 12.563 -11.802 98 HB2 PHE 11 HB2 PHE 11 -0.191 12.175 -12.504 99 HB3 PHE 11 HB1 PHE 11 -0.706 12.305 -10.771 100 HD1 PHE 11 HD1 PHE 11 -0.228 14.159 -13.897 101 HD2 PHE 11 HD2 PHE 11 -1.529 14.177 -9.891 102 HE1 PHE 11 HE1 PHE 11 -1.134 16.376 -14.212 103 HE2 PHE 11 HE2 PHE 11 -2.448 16.339 -10.153 104 HZ PHE 11 HZ PHE 11 -2.321 17.511 -12.347 105 H LEU 12 HN LEU 12 1.020 14.615 -9.079 106 HA LEU 12 HA LEU 12 0.822 17.039 -10.432 107 HB2 LEU 12 HB2 LEU 12 1.222 16.043 -7.701 108 HB3 LEU 12 HB1 LEU 12 1.887 17.691 -7.943 109 HG LEU 12 HG LEU 12 -0.174 18.047 -7.131 110 HD11 LEU 12 HD11 LEU 12 -1.013 17.967 -10.066 111 HD12 LEU 12 HD12 LEU 12 0.245 19.112 -9.477 112 HD13 LEU 12 HD13 LEU 12 -1.428 19.183 -8.802 113 HD21 LEU 12 HD21 LEU 12 -2.223 16.666 -8.246 114 HD22 LEU 12 HD22 LEU 12 -1.260 16.093 -6.827 115 HD23 LEU 12 HD23 LEU 12 -0.869 15.488 -8.478 116 H PHE 13 HN PHE 13 3.615 15.584 -8.724 117 HA PHE 13 HA PHE 13 5.115 17.907 -9.375 118 HB2 PHE 13 HB2 PHE 13 6.522 15.394 -8.430 119 HB3 PHE 13 HB1 PHE 13 6.766 17.115 -7.895 120 HD1 PHE 13 HD1 PHE 13 5.674 14.110 -6.881 121 HD2 PHE 13 HD2 PHE 13 4.449 18.139 -7.172 122 HE1 PHE 13 HE1 PHE 13 3.926 13.706 -5.289 123 HE2 PHE 13 HE2 PHE 13 2.717 17.742 -5.576 124 HZ PHE 13 HZ PHE 13 2.434 15.525 -4.641 125 H LEU 14 HN LEU 14 3.826 15.861 -11.233 126 HA LEU 14 HA LEU 14 6.188 15.378 -12.849 127 HB2 LEU 14 HB2 LEU 14 3.616 13.755 -12.673 128 HB3 LEU 14 HB1 LEU 14 4.977 13.404 -13.810 129 HG LEU 14 HG LEU 14 4.968 13.208 -10.730 130 HD11 LEU 14 HD11 LEU 14 4.096 11.308 -12.359 131 HD12 LEU 14 HD12 LEU 14 5.239 10.869 -11.032 132 HD13 LEU 14 HD13 LEU 14 5.840 11.037 -12.723 133 HD21 LEU 14 HD21 LEU 14 7.316 13.526 -12.639 134 HD22 LEU 14 HD22 LEU 14 7.463 12.257 -11.364 135 HD23 LEU 14 HD23 LEU 14 7.154 13.971 -10.898 136 H ARG 15 HN ARG 15 3.209 17.095 -12.615 137 HA ARG 15 HA ARG 15 2.570 16.793 -15.417 138 HB2 ARG 15 HB2 ARG 15 0.828 18.535 -14.956 139 HB3 ARG 15 HB1 ARG 15 0.663 16.984 -14.054 140 HG2 ARG 15 HG2 ARG 15 0.751 18.055 -12.077 141 HG3 ARG 15 HG1 ARG 15 2.320 18.808 -12.515 142 HD2 ARG 15 HD2 ARG 15 1.188 20.786 -12.444 143 HD3 ARG 15 HD1 ARG 15 0.496 20.277 -14.051 144 HE ARG 15 HE ARG 15 -1.054 19.102 -11.908 145 HH11 ARG 15 HH11 ARG 15 -0.304 22.191 -13.510 146 HH12 ARG 15 HH12 ARG 15 -1.832 22.925 -13.159 147 HH21 ARG 15 HH21 ARG 15 -3.138 20.095 -11.428 148 HH22 ARG 15 HH22 ARG 15 -3.472 21.711 -11.955 149 H LYS 16 HN LYS 16 4.580 18.767 -13.473 150 HA LYS 16 HA LYS 16 5.397 20.386 -15.568 151 HB2 LYS 16 HB2 LYS 16 2.862 21.086 -14.182 152 HB3 LYS 16 HB1 LYS 16 4.086 22.409 -14.092 153 HG2 LYS 16 HG2 LYS 16 4.237 21.839 -16.749 154 HG3 LYS 16 HG1 LYS 16 2.546 21.290 -16.418 155 HD2 LYS 16 HD2 LYS 16 1.926 23.455 -15.517 156 HD3 LYS 16 HD1 LYS 16 3.632 24.005 -15.486 157 HE2 LYS 16 HE2 LYS 16 2.443 25.057 -17.408 158 HE3 LYS 16 HE1 LYS 16 3.681 23.890 -18.037 159 HZ1 LYS 16 HZ1 LYS 16 0.764 23.745 -18.057 160 HZ2 LYS 16 HZ2 LYS 16 1.615 22.288 -17.858 161 HZ3 LYS 16 HZ3 LYS 16 1.904 23.262 -19.218 162 H LYS 17 HN LYS 17 4.230 20.189 -12.297 163 HA LYS 17 HA LYS 17 6.250 21.776 -11.125 164 HB2 LYS 17 HB2 LYS 17 4.105 19.841 -10.104 165 HB3 LYS 17 HB1 LYS 17 5.158 20.820 -8.998 166 HG2 LYS 17 HG2 LYS 17 4.327 22.933 -10.085 167 HG3 LYS 17 HG1 LYS 17 3.269 21.963 -11.172 168 HD2 LYS 17 HD2 LYS 17 2.038 21.079 -9.185 169 HD3 LYS 17 HD1 LYS 17 3.124 21.997 -8.088 170 HE2 LYS 17 HE2 LYS 17 0.976 23.217 -8.380 171 HE3 LYS 17 HE1 LYS 17 2.317 24.160 -9.154 172 HZ1 LYS 17 HZ1 LYS 17 1.572 23.655 -11.217 173 HZ2 LYS 17 HZ2 LYS 17 0.097 23.718 -10.379 174 HZ3 LYS 17 HZ3 LYS 17 0.797 22.217 -10.757 Start of MODEL 5 1 H1 ALA 1 HT1 ALA 1 -4.039 4.742 4.080 2 H2 ALA 1 HT2 ALA 1 -3.083 6.055 4.579 3 H3 ALA 1 HT3 ALA 1 -3.518 4.848 5.693 4 HA ALA 1 HA ALA 1 -1.221 4.980 4.265 5 HB1 ALA 1 HB1 ALA 1 -2.552 2.515 5.556 6 HB2 ALA 1 HB2 ALA 1 -1.604 3.767 6.445 7 HB3 ALA 1 HB3 ALA 1 -0.784 2.703 5.239 8 H MET 2 HN MET 2 -2.893 5.230 2.087 9 HA MET 2 HA MET 2 -2.441 2.656 0.745 10 HB2 MET 2 HB2 MET 2 -4.787 4.611 0.368 11 HB3 MET 2 HB1 MET 2 -4.420 3.252 -0.750 12 HG2 MET 2 HG2 MET 2 -4.654 1.658 1.234 13 HG3 MET 2 HG1 MET 2 -5.220 3.047 2.213 14 HE1 MET 2 HE1 MET 2 -7.223 4.233 2.124 15 HE2 MET 2 HE2 MET 2 -8.578 4.093 0.952 16 HE3 MET 2 HE3 MET 2 -7.019 4.823 0.439 17 H ARG 3 HN ARG 3 -1.378 2.854 -1.272 18 HA ARG 3 HA ARG 3 -0.700 5.605 -1.901 19 HB2 ARG 3 HB2 ARG 3 1.049 3.590 -1.680 20 HB3 ARG 3 HB1 ARG 3 0.489 3.237 -3.349 21 HG2 ARG 3 HG2 ARG 3 0.939 6.033 -3.337 22 HG3 ARG 3 HG1 ARG 3 2.295 5.357 -2.366 23 HD2 ARG 3 HD2 ARG 3 3.023 3.926 -4.198 24 HD3 ARG 3 HD1 ARG 3 1.496 4.245 -5.134 25 HE ARG 3 HE ARG 3 2.848 6.747 -4.576 26 HH11 ARG 3 HH11 ARG 3 3.077 3.760 -6.500 27 HH12 ARG 3 HH12 ARG 3 3.900 4.498 -7.834 28 HH21 ARG 3 HH21 ARG 3 3.956 7.757 -6.392 29 HH22 ARG 3 HH22 ARG 3 4.410 6.810 -7.769 30 H ILE 4 HN ILE 4 -2.985 5.760 -2.492 31 HA ILE 4 HA ILE 4 -3.247 4.943 -5.289 32 HB ILE 4 HB ILE 4 -5.687 5.199 -4.904 33 HG12 ILE 4 HG12 ILE 4 -4.813 5.306 -1.963 34 HG13 ILE 4 HG11 ILE 4 -5.465 6.680 -2.922 35 HG21 ILE 4 HG21 ILE 4 -4.085 3.099 -3.289 36 HG22 ILE 4 HG22 ILE 4 -4.695 2.942 -4.982 37 HG23 ILE 4 HG23 ILE 4 -5.858 2.963 -3.602 38 HD11 ILE 4 HD11 ILE 4 -6.932 4.154 -1.977 39 HD12 ILE 4 HD12 ILE 4 -7.563 5.149 -3.344 40 HD13 ILE 4 HD13 ILE 4 -7.361 5.886 -1.710 41 H SER 5 HN SER 5 -3.071 7.367 -2.859 42 HA SER 5 HA SER 5 -4.144 9.293 -4.777 43 HB2 SER 5 HB2 SER 5 -4.445 10.878 -2.837 44 HB3 SER 5 HB1 SER 5 -5.396 9.358 -2.610 45 HG SER 5 HG SER 5 -3.129 10.300 -1.303 46 H ARG 6 HN ARG 6 -1.325 8.011 -4.465 47 HA ARG 6 HA ARG 6 -0.056 10.589 -4.392 48 HB2 ARG 6 HB2 ARG 6 0.514 8.543 -2.626 49 HB3 ARG 6 HB1 ARG 6 1.691 8.226 -3.958 50 HG2 ARG 6 HG2 ARG 6 1.274 10.905 -2.528 51 HG3 ARG 6 HG1 ARG 6 2.629 9.763 -2.217 52 HD2 ARG 6 HD2 ARG 6 2.111 10.792 -5.070 53 HD3 ARG 6 HD1 ARG 6 3.016 11.826 -3.874 54 HE ARG 6 HE ARG 6 3.960 9.299 -5.107 55 HH11 ARG 6 HH11 ARG 6 4.274 11.661 -2.452 56 HH12 ARG 6 HH12 ARG 6 5.919 11.261 -2.088 57 HH21 ARG 6 HH21 ARG 6 6.194 8.760 -4.608 58 HH22 ARG 6 HH22 ARG 6 7.028 9.584 -3.335 59 H ILE 7 HN ILE 7 -1.505 9.291 -6.421 60 HA ILE 7 HA ILE 7 0.706 8.911 -8.253 61 HB ILE 7 HB ILE 7 -1.716 7.974 -9.399 62 HG12 ILE 7 HG12 ILE 7 -2.442 7.904 -6.949 63 HG13 ILE 7 HG11 ILE 7 -2.605 6.378 -7.882 64 HG21 ILE 7 HG21 ILE 7 0.880 6.640 -8.400 65 HG22 ILE 7 HG22 ILE 7 0.434 7.098 -10.087 66 HG23 ILE 7 HG23 ILE 7 -0.404 5.722 -9.276 67 HD11 ILE 7 HD11 ILE 7 -1.438 6.576 -5.377 68 HD12 ILE 7 HD12 ILE 7 0.017 6.701 -6.439 69 HD13 ILE 7 HD13 ILE 7 -1.071 5.265 -6.563 70 H ILE 8 HN ILE 8 -1.799 10.721 -7.042 71 HA ILE 8 HA ILE 8 -2.133 12.127 -9.547 72 HB ILE 8 HB ILE 8 -3.896 12.295 -7.085 73 HG12 ILE 8 HG12 ILE 8 -5.369 10.743 -8.785 74 HG13 ILE 8 HG11 ILE 8 -3.711 10.190 -9.214 75 HG21 ILE 8 HG21 ILE 8 -4.489 14.115 -8.461 76 HG22 ILE 8 HG22 ILE 8 -5.535 12.850 -9.208 77 HG23 ILE 8 HG23 ILE 8 -3.963 13.288 -9.977 78 HD11 ILE 8 HD11 ILE 8 -5.096 10.064 -6.465 79 HD12 ILE 8 HD12 ILE 8 -3.305 9.897 -6.642 80 HD13 ILE 8 HD13 ILE 8 -4.412 8.714 -7.444 81 H LEU 9 HN LEU 9 -0.433 11.847 -6.992 82 HA LEU 9 HA LEU 9 0.013 14.694 -6.783 83 HB2 LEU 9 HB2 LEU 9 0.211 12.383 -4.839 84 HB3 LEU 9 HB1 LEU 9 1.440 13.685 -4.729 85 HG LEU 9 HG LEU 9 -0.773 13.746 -3.246 86 HD11 LEU 9 HD11 LEU 9 0.869 15.927 -4.508 87 HD12 LEU 9 HD12 LEU 9 0.515 15.588 -2.774 88 HD13 LEU 9 HD13 LEU 9 -0.697 16.454 -3.791 89 HD21 LEU 9 HD21 LEU 9 -2.607 15.079 -4.291 90 HD22 LEU 9 HD22 LEU 9 -2.348 13.514 -5.157 91 HD23 LEU 9 HD23 LEU 9 -1.734 15.050 -5.871 92 H DAS 10 HN DAS 10 0.790 11.417 -7.181 93 HA DAS 10 HA DAS 10 2.569 10.378 -7.871 94 HB2 DAS 10 HB2 DAS 10 4.225 12.900 -8.200 95 HB3 DAS 10 HB1 DAS 10 3.986 12.205 -6.554 96 H PHE 11 HN PHE 11 1.041 13.037 -9.117 97 HA PHE 11 HA PHE 11 2.134 12.565 -11.796 98 HB2 PHE 11 HB2 PHE 11 -0.020 12.076 -12.543 99 HB3 PHE 11 HB1 PHE 11 -0.582 12.241 -10.827 100 HD1 PHE 11 HD1 PHE 11 -0.128 14.033 -14.007 101 HD2 PHE 11 HD2 PHE 11 -1.419 14.099 -10.018 102 HE1 PHE 11 HE1 PHE 11 -1.101 16.225 -14.362 103 HE2 PHE 11 HE2 PHE 11 -2.399 16.212 -10.291 104 HZ PHE 11 HZ PHE 11 -2.313 17.357 -12.512 105 H LEU 12 HN LEU 12 1.065 14.554 -9.128 106 HA LEU 12 HA LEU 12 0.773 16.942 -10.511 107 HB2 LEU 12 HB2 LEU 12 1.574 16.146 -7.754 108 HB3 LEU 12 HB1 LEU 12 1.492 17.888 -8.194 109 HG LEU 12 HG LEU 12 -0.676 15.838 -8.303 110 HD11 LEU 12 HD11 LEU 12 -1.527 16.888 -6.302 111 HD12 LEU 12 HD12 LEU 12 -0.233 18.149 -6.381 112 HD13 LEU 12 HD13 LEU 12 0.204 16.419 -6.096 113 HD21 LEU 12 HD21 LEU 12 -2.193 17.707 -8.845 114 HD22 LEU 12 HD22 LEU 12 -0.851 17.637 -10.053 115 HD23 LEU 12 HD23 LEU 12 -0.817 18.872 -8.741 116 H PHE 13 HN PHE 13 3.652 15.533 -8.895 117 HA PHE 13 HA PHE 13 4.968 18.002 -9.430 118 HB2 PHE 13 HB2 PHE 13 6.560 15.558 -8.589 119 HB3 PHE 13 HB1 PHE 13 6.706 17.275 -8.011 120 HD1 PHE 13 HD1 PHE 13 5.988 14.255 -6.912 121 HD2 PHE 13 HD2 PHE 13 4.186 18.052 -7.351 122 HE1 PHE 13 HE1 PHE 13 4.332 13.682 -5.267 123 HE2 PHE 13 HE2 PHE 13 2.538 17.473 -5.728 124 HZ PHE 13 HZ PHE 13 2.605 15.300 -4.689 125 H LEU 14 HN LEU 14 3.813 15.824 -11.281 126 HA LEU 14 HA LEU 14 6.172 15.489 -12.923 127 HB2 LEU 14 HB2 LEU 14 3.639 13.810 -12.793 128 HB3 LEU 14 HB1 LEU 14 5.054 13.474 -13.866 129 HG LEU 14 HG LEU 14 4.920 13.337 -10.786 130 HD11 LEU 14 HD11 LEU 14 5.313 10.992 -11.039 131 HD12 LEU 14 HD12 LEU 14 5.901 11.159 -12.736 132 HD13 LEU 14 HD13 LEU 14 4.149 11.375 -12.365 133 HD21 LEU 14 HD21 LEU 14 7.086 14.200 -10.932 134 HD22 LEU 14 HD22 LEU 14 7.350 13.616 -12.618 135 HD23 LEU 14 HD23 LEU 14 7.456 12.462 -11.237 136 H ARG 15 HN ARG 15 3.174 17.173 -12.714 137 HA ARG 15 HA ARG 15 2.548 16.822 -15.490 138 HB2 ARG 15 HB2 ARG 15 0.922 18.755 -15.023 139 HB3 ARG 15 HB1 ARG 15 0.599 17.136 -14.304 140 HG2 ARG 15 HG2 ARG 15 0.809 17.891 -12.183 141 HG3 ARG 15 HG1 ARG 15 2.283 18.838 -12.563 142 HD2 ARG 15 HD2 ARG 15 1.024 20.714 -12.370 143 HD3 ARG 15 HD1 ARG 15 0.170 20.200 -13.896 144 HE ARG 15 HE ARG 15 -0.993 18.777 -11.689 145 HH11 ARG 15 HH11 ARG 15 -0.637 22.071 -12.992 146 HH12 ARG 15 HH12 ARG 15 -2.139 22.652 -12.358 147 HH21 ARG 15 HH21 ARG 15 -3.040 19.565 -10.825 148 HH22 ARG 15 HH22 ARG 15 -3.529 21.203 -11.104 149 H LYS 16 HN LYS 16 3.818 19.340 -13.332 150 HA LYS 16 HA LYS 16 5.462 20.382 -15.322 151 HB2 LYS 16 HB2 LYS 16 4.254 22.461 -15.819 152 HB3 LYS 16 HB1 LYS 16 3.299 21.017 -16.326 153 HG2 LYS 16 HG2 LYS 16 1.605 21.457 -14.925 154 HG3 LYS 16 HG1 LYS 16 2.697 21.808 -13.542 155 HD2 LYS 16 HD2 LYS 16 3.126 24.068 -14.395 156 HD3 LYS 16 HD1 LYS 16 2.137 23.743 -15.859 157 HE2 LYS 16 HE2 LYS 16 0.081 23.523 -14.469 158 HE3 LYS 16 HE1 LYS 16 1.058 23.728 -12.956 159 HZ1 LYS 16 HZ1 LYS 16 -0.062 25.683 -14.589 160 HZ2 LYS 16 HZ2 LYS 16 1.625 25.834 -14.725 161 HZ3 LYS 16 HZ3 LYS 16 0.888 25.879 -13.196 162 H LYS 17 HN LYS 17 5.472 19.490 -12.630 163 HA LYS 17 HA LYS 17 6.149 21.996 -11.304 164 HB2 LYS 17 HB2 LYS 17 4.249 19.794 -10.376 165 HB3 LYS 17 HB1 LYS 17 5.227 20.684 -9.146 166 HG2 LYS 17 HG2 LYS 17 3.413 22.071 -11.214 167 HG3 LYS 17 HG1 LYS 17 2.867 21.594 -9.569 168 HD2 LYS 17 HD2 LYS 17 4.706 23.022 -8.582 169 HD3 LYS 17 HD1 LYS 17 5.163 23.540 -10.242 170 HE2 LYS 17 HE2 LYS 17 2.884 24.545 -10.565 171 HE3 LYS 17 HE1 LYS 17 2.421 24.021 -8.892 172 HZ1 LYS 17 HZ1 LYS 17 4.280 26.112 -9.769 173 HZ2 LYS 17 HZ2 LYS 17 4.598 25.308 -8.307 174 HZ3 LYS 17 HZ3 LYS 17 3.121 26.116 -8.528 Start of MODEL 6 1 H1 ALA 1 HT1 ALA 1 -0.635 5.303 3.215 2 H2 ALA 1 HT2 ALA 1 -0.143 5.236 4.839 3 H3 ALA 1 HT3 ALA 1 -1.557 6.076 4.415 4 HA ALA 1 HA ALA 1 -1.174 3.332 4.995 5 HB1 ALA 1 HB1 ALA 1 -3.666 5.079 4.504 6 HB2 ALA 1 HB2 ALA 1 -2.894 4.761 6.104 7 HB3 ALA 1 HB3 ALA 1 -3.704 3.419 5.211 8 H MET 2 HN MET 2 -2.712 5.133 2.236 9 HA MET 2 HA MET 2 -2.508 2.613 0.738 10 HB2 MET 2 HB2 MET 2 -4.737 4.731 0.605 11 HB3 MET 2 HB1 MET 2 -4.531 3.407 -0.593 12 HG2 MET 2 HG2 MET 2 -4.754 1.736 1.329 13 HG3 MET 2 HG1 MET 2 -5.166 3.110 2.402 14 HE1 MET 2 HE1 MET 2 -7.040 4.451 2.469 15 HE2 MET 2 HE2 MET 2 -8.514 4.419 1.441 16 HE3 MET 2 HE3 MET 2 -6.978 5.083 0.787 17 H ARG 3 HN ARG 3 -1.495 2.859 -1.297 18 HA ARG 3 HA ARG 3 -0.773 5.614 -1.859 19 HB2 ARG 3 HB2 ARG 3 1.018 3.749 -1.828 20 HB3 ARG 3 HB1 ARG 3 0.222 3.145 -3.322 21 HG2 ARG 3 HG2 ARG 3 0.563 5.387 -4.391 22 HG3 ARG 3 HG1 ARG 3 1.410 5.946 -2.909 23 HD2 ARG 3 HD2 ARG 3 3.124 4.112 -3.238 24 HD3 ARG 3 HD1 ARG 3 2.294 3.675 -4.797 25 HE ARG 3 HE ARG 3 2.830 6.495 -4.831 26 HH11 ARG 3 HH11 ARG 3 4.513 3.356 -4.811 27 HH12 ARG 3 HH12 ARG 3 5.881 3.911 -5.715 28 HH21 ARG 3 HH21 ARG 3 4.686 7.251 -6.062 29 HH22 ARG 3 HH22 ARG 3 5.982 6.165 -6.438 30 H ILE 4 HN ILE 4 -3.014 5.984 -2.363 31 HA ILE 4 HA ILE 4 -3.504 5.183 -5.134 32 HB ILE 4 HB ILE 4 -5.895 5.635 -4.611 33 HG12 ILE 4 HG12 ILE 4 -4.843 5.637 -1.727 34 HG13 ILE 4 HG11 ILE 4 -5.444 7.068 -2.635 35 HG21 ILE 4 HG21 ILE 4 -6.177 3.404 -3.334 36 HG22 ILE 4 HG22 ILE 4 -4.386 3.394 -3.098 37 HG23 ILE 4 HG23 ILE 4 -5.079 3.308 -4.764 38 HD11 ILE 4 HD11 ILE 4 -7.677 5.717 -2.937 39 HD12 ILE 4 HD12 ILE 4 -7.316 6.400 -1.307 40 HD13 ILE 4 HD13 ILE 4 -7.045 4.646 -1.630 41 H SER 5 HN SER 5 -3.053 7.580 -2.701 42 HA SER 5 HA SER 5 -4.031 9.596 -4.584 43 HB2 SER 5 HB2 SER 5 -4.151 11.182 -2.625 44 HB3 SER 5 HB1 SER 5 -5.212 9.739 -2.382 45 HG SER 5 HG SER 5 -2.790 10.447 -1.173 46 H ARG 6 HN ARG 6 -1.304 8.115 -4.423 47 HA ARG 6 HA ARG 6 0.118 10.613 -4.467 48 HB2 ARG 6 HB2 ARG 6 0.862 9.536 -2.391 49 HB3 ARG 6 HB1 ARG 6 1.036 7.965 -3.243 50 HG2 ARG 6 HG2 ARG 6 3.195 9.358 -2.766 51 HG3 ARG 6 HG1 ARG 6 2.979 8.634 -4.392 52 HD2 ARG 6 HD2 ARG 6 3.779 10.969 -4.652 53 HD3 ARG 6 HD1 ARG 6 2.051 10.875 -5.218 54 HE ARG 6 HE ARG 6 1.400 12.173 -3.328 55 HH11 ARG 6 HH11 ARG 6 4.805 11.137 -3.086 56 HH12 ARG 6 HH12 ARG 6 5.186 12.184 -1.759 57 HH21 ARG 6 HH21 ARG 6 1.923 13.591 -1.525 58 HH22 ARG 6 HH22 ARG 6 3.521 13.600 -0.858 59 H ILE 7 HN ILE 7 -1.357 9.450 -6.390 60 HA ILE 7 HA ILE 7 0.737 8.565 -8.182 61 HB ILE 7 HB ILE 7 -1.906 7.944 -9.178 62 HG12 ILE 7 HG12 ILE 7 -2.409 7.933 -6.690 63 HG13 ILE 7 HG11 ILE 7 -2.753 6.398 -7.561 64 HG21 ILE 7 HG21 ILE 7 0.618 6.325 -8.446 65 HG22 ILE 7 HG22 ILE 7 0.063 6.853 -10.080 66 HG23 ILE 7 HG23 ILE 7 -0.842 5.569 -9.191 67 HD11 ILE 7 HD11 ILE 7 -1.172 5.219 -6.361 68 HD12 ILE 7 HD12 ILE 7 -1.375 6.568 -5.177 69 HD13 ILE 7 HD13 ILE 7 -0.003 6.593 -6.349 70 H ILE 8 HN ILE 8 -2.245 10.214 -7.460 71 HA ILE 8 HA ILE 8 -2.215 11.760 -9.811 72 HB ILE 8 HB ILE 8 -3.467 12.426 -7.104 73 HG12 ILE 8 HG12 ILE 8 -5.533 11.250 -8.297 74 HG13 ILE 8 HG11 ILE 8 -4.242 10.374 -9.193 75 HG21 ILE 8 HG21 ILE 8 -3.535 14.258 -8.756 76 HG22 ILE 8 HG22 ILE 8 -5.188 13.545 -8.645 77 HG23 ILE 8 HG23 ILE 8 -4.127 13.144 -10.047 78 HD11 ILE 8 HD11 ILE 8 -3.940 8.975 -7.420 79 HD12 ILE 8 HD12 ILE 8 -5.224 9.843 -6.498 80 HD13 ILE 8 HD13 ILE 8 -3.497 10.376 -6.370 81 H LEU 9 HN LEU 9 -1.187 12.092 -6.402 82 HA LEU 9 HA LEU 9 -0.209 14.628 -7.054 83 HB2 LEU 9 HB2 LEU 9 0.127 12.670 -4.819 84 HB3 LEU 9 HB1 LEU 9 1.267 14.052 -4.964 85 HG LEU 9 HG LEU 9 -0.672 14.527 -3.412 86 HD11 LEU 9 HD11 LEU 9 0.126 16.182 -5.791 87 HD12 LEU 9 HD12 LEU 9 0.058 16.614 -4.037 88 HD13 LEU 9 HD13 LEU 9 -1.444 16.661 -5.036 89 HD21 LEU 9 HD21 LEU 9 -2.421 14.570 -5.951 90 HD22 LEU 9 HD22 LEU 9 -2.941 14.749 -4.230 91 HD23 LEU 9 HD23 LEU 9 -2.340 13.157 -4.831 92 H DAS 10 HN DAS 10 0.668 11.353 -7.336 93 HA DAS 10 HA DAS 10 2.489 10.405 -8.014 94 HB2 DAS 10 HB2 DAS 10 4.040 12.982 -8.211 95 HB3 DAS 10 HB1 DAS 10 3.690 12.291 -6.582 96 H PHE 11 HN PHE 11 0.758 12.849 -9.348 97 HA PHE 11 HA PHE 11 2.063 12.528 -11.973 98 HB2 PHE 11 HB2 PHE 11 -0.060 12.030 -12.840 99 HB3 PHE 11 HB1 PHE 11 -0.711 12.141 -11.146 100 HD1 PHE 11 HD1 PHE 11 0.174 14.236 -14.104 101 HD2 PHE 11 HD2 PHE 11 -1.993 13.782 -10.542 102 HE1 PHE 11 HE1 PHE 11 -0.790 16.435 -14.396 103 HE2 PHE 11 HE2 PHE 11 -2.872 15.919 -10.704 104 HZ PHE 11 HZ PHE 11 -2.380 17.331 -12.711 105 H LEU 12 HN LEU 12 0.790 14.527 -9.338 106 HA LEU 12 HA LEU 12 0.558 16.926 -10.705 107 HB2 LEU 12 HB2 LEU 12 0.779 15.912 -7.988 108 HB3 LEU 12 HB1 LEU 12 1.440 17.576 -8.121 109 HG LEU 12 HG LEU 12 -0.649 17.997 -7.543 110 HD11 LEU 12 HD11 LEU 12 -0.157 18.788 -10.010 111 HD12 LEU 12 HD12 LEU 12 -1.819 18.989 -9.327 112 HD13 LEU 12 HD13 LEU 12 -1.459 17.625 -10.446 113 HD21 LEU 12 HD21 LEU 12 -1.456 15.431 -8.918 114 HD22 LEU 12 HD22 LEU 12 -2.673 16.581 -8.252 115 HD23 LEU 12 HD23 LEU 12 -1.443 15.819 -7.164 116 H PHE 13 HN PHE 13 3.363 15.695 -8.826 117 HA PHE 13 HA PHE 13 4.697 18.134 -9.445 118 HB2 PHE 13 HB2 PHE 13 6.231 15.735 -8.386 119 HB3 PHE 13 HB1 PHE 13 6.369 17.486 -7.910 120 HD1 PHE 13 HD1 PHE 13 5.311 14.441 -6.902 121 HD2 PHE 13 HD2 PHE 13 4.055 18.455 -7.252 122 HE1 PHE 13 HE1 PHE 13 3.523 14.023 -5.368 123 HE2 PHE 13 HE2 PHE 13 2.282 18.048 -5.697 124 HZ PHE 13 HZ PHE 13 2.005 15.840 -4.749 125 H LEU 14 HN LEU 14 3.715 15.853 -11.292 126 HA LEU 14 HA LEU 14 6.214 15.540 -12.724 127 HB2 LEU 14 HB2 LEU 14 3.703 13.827 -12.766 128 HB3 LEU 14 HB1 LEU 14 5.158 13.531 -13.793 129 HG LEU 14 HG LEU 14 4.873 13.279 -10.735 130 HD11 LEU 14 HD11 LEU 14 6.135 11.274 -12.710 131 HD12 LEU 14 HD12 LEU 14 4.352 11.352 -12.453 132 HD13 LEU 14 HD13 LEU 14 5.449 10.979 -11.068 133 HD21 LEU 14 HD21 LEU 14 7.418 13.750 -12.375 134 HD22 LEU 14 HD22 LEU 14 7.472 12.610 -10.978 135 HD23 LEU 14 HD23 LEU 14 6.976 14.324 -10.722 136 H ARG 15 HN ARG 15 3.237 17.243 -12.789 137 HA ARG 15 HA ARG 15 2.866 16.883 -15.611 138 HB2 ARG 15 HB2 ARG 15 1.222 18.827 -15.312 139 HB3 ARG 15 HB1 ARG 15 0.823 17.215 -14.623 140 HG2 ARG 15 HG2 ARG 15 0.850 17.967 -12.482 141 HG3 ARG 15 HG1 ARG 15 2.338 18.939 -12.744 142 HD2 ARG 15 HD2 ARG 15 0.893 20.707 -12.473 143 HD3 ARG 15 HD1 ARG 15 0.545 20.392 -14.233 144 HE ARG 15 HE ARG 15 -1.159 18.704 -12.651 145 HH11 ARG 15 HH11 ARG 15 -0.564 22.125 -13.435 146 HH12 ARG 15 HH12 ARG 15 -2.210 22.620 -13.232 147 HH21 ARG 15 HH21 ARG 15 -3.405 19.377 -12.373 148 HH22 ARG 15 HH22 ARG 15 -3.853 21.031 -12.617 149 H LYS 16 HN LYS 16 3.963 19.373 -13.341 150 HA LYS 16 HA LYS 16 5.795 20.397 -15.168 151 HB2 LYS 16 HB2 LYS 16 4.677 22.502 -15.752 152 HB3 LYS 16 HB1 LYS 16 3.739 21.081 -16.350 153 HG2 LYS 16 HG2 LYS 16 1.940 21.552 -15.102 154 HG3 LYS 16 HG1 LYS 16 2.914 21.868 -13.624 155 HD2 LYS 16 HD2 LYS 16 3.474 24.125 -14.435 156 HD3 LYS 16 HD1 LYS 16 2.582 23.828 -15.966 157 HE2 LYS 16 HE2 LYS 16 0.429 23.655 -14.725 158 HE3 LYS 16 HE1 LYS 16 1.302 23.827 -13.145 159 HZ1 LYS 16 HZ1 LYS 16 2.117 25.945 -14.699 160 HZ2 LYS 16 HZ2 LYS 16 1.031 25.971 -13.394 161 HZ3 LYS 16 HZ3 LYS 16 0.448 25.815 -14.982 162 H LYS 17 HN LYS 17 5.548 19.474 -12.498 163 HA LYS 17 HA LYS 17 6.201 21.937 -11.096 164 HB2 LYS 17 HB2 LYS 17 4.079 19.867 -10.365 165 HB3 LYS 17 HB1 LYS 17 5.003 20.678 -9.037 166 HG2 LYS 17 HG2 LYS 17 4.347 22.933 -10.127 167 HG3 LYS 17 HG1 LYS 17 3.226 21.997 -11.176 168 HD2 LYS 17 HD2 LYS 17 3.175 21.909 -8.097 169 HD3 LYS 17 HD1 LYS 17 2.186 23.040 -9.082 170 HE2 LYS 17 HE2 LYS 17 1.105 21.054 -10.231 171 HE3 LYS 17 HE1 LYS 17 2.055 19.951 -9.149 172 HZ1 LYS 17 HZ1 LYS 17 -0.044 20.267 -8.203 173 HZ2 LYS 17 HZ2 LYS 17 0.006 21.955 -8.379 174 HZ3 LYS 17 HZ3 LYS 17 1.032 21.187 -7.266 Start of MODEL 7 1 H1 ALA 1 HT1 ALA 1 -1.987 6.389 4.718 2 H2 ALA 1 HT2 ALA 1 -2.392 5.267 5.925 3 H3 ALA 1 HT3 ALA 1 -3.227 5.259 4.446 4 HA ALA 1 HA ALA 1 -0.430 5.019 4.073 5 HB1 ALA 1 HB1 ALA 1 -1.863 2.814 5.682 6 HB2 ALA 1 HB2 ALA 1 -0.558 3.885 6.320 7 HB3 ALA 1 HB3 ALA 1 -0.190 2.697 5.013 8 H MET 2 HN MET 2 -2.421 5.548 2.251 9 HA MET 2 HA MET 2 -2.718 2.928 0.952 10 HB2 MET 2 HB2 MET 2 -4.635 5.331 0.790 11 HB3 MET 2 HB1 MET 2 -4.786 3.814 -0.163 12 HG2 MET 2 HG2 MET 2 -5.096 2.501 1.928 13 HG3 MET 2 HG1 MET 2 -4.913 3.992 2.905 14 HE1 MET 2 HE1 MET 2 -8.611 3.139 3.485 15 HE2 MET 2 HE2 MET 2 -7.036 3.634 4.197 16 HE3 MET 2 HE3 MET 2 -7.178 2.060 3.343 17 H ARG 3 HN ARG 3 -2.022 2.889 -1.233 18 HA ARG 3 HA ARG 3 -0.904 5.432 -2.072 19 HB2 ARG 3 HB2 ARG 3 0.352 3.052 -2.119 20 HB3 ARG 3 HB1 ARG 3 -0.546 2.897 -3.666 21 HG2 ARG 3 HG2 ARG 3 0.534 5.516 -3.735 22 HG3 ARG 3 HG1 ARG 3 1.840 4.508 -3.017 23 HD2 ARG 3 HD2 ARG 3 1.819 2.980 -4.949 24 HD3 ARG 3 HD1 ARG 3 0.348 3.805 -5.633 25 HE ARG 3 HE ARG 3 2.433 5.762 -5.226 26 HH11 ARG 3 HH11 ARG 3 1.570 2.936 -7.214 27 HH12 ARG 3 HH12 ARG 3 2.418 3.475 -8.624 28 HH21 ARG 3 HH21 ARG 3 3.578 6.502 -7.142 29 HH22 ARG 3 HH22 ARG 3 3.583 5.538 -8.581 30 H ILE 4 HN ILE 4 -3.178 6.076 -2.223 31 HA ILE 4 HA ILE 4 -4.155 5.351 -4.882 32 HB ILE 4 HB ILE 4 -6.344 6.155 -4.061 33 HG12 ILE 4 HG12 ILE 4 -4.918 6.116 -1.341 34 HG13 ILE 4 HG11 ILE 4 -5.447 7.580 -2.244 35 HG21 ILE 4 HG21 ILE 4 -6.758 4.037 -2.620 36 HG22 ILE 4 HG22 ILE 4 -4.972 3.766 -2.652 37 HG23 ILE 4 HG23 ILE 4 -5.919 3.732 -4.190 38 HD11 ILE 4 HD11 ILE 4 -7.185 7.233 -0.646 39 HD12 ILE 4 HD12 ILE 4 -7.191 5.446 -0.891 40 HD13 ILE 4 HD13 ILE 4 -7.857 6.534 -2.168 41 H SER 5 HN SER 5 -2.947 7.665 -2.659 42 HA SER 5 HA SER 5 -3.801 9.772 -4.508 43 HB2 SER 5 HB2 SER 5 -3.637 11.396 -2.567 44 HB3 SER 5 HB1 SER 5 -4.915 10.144 -2.315 45 HG SER 5 HG SER 5 -2.331 10.341 -1.192 46 H ARG 6 HN ARG 6 -1.346 8.097 -4.788 47 HA ARG 6 HA ARG 6 0.367 10.365 -4.717 48 HB2 ARG 6 HB2 ARG 6 1.025 9.222 -2.636 49 HB3 ARG 6 HB1 ARG 6 1.102 7.653 -3.514 50 HG2 ARG 6 HG2 ARG 6 3.340 8.922 -3.053 51 HG3 ARG 6 HG1 ARG 6 3.056 8.233 -4.683 52 HD2 ARG 6 HD2 ARG 6 3.983 10.529 -4.920 53 HD3 ARG 6 HD1 ARG 6 2.247 10.532 -5.473 54 HE ARG 6 HE ARG 6 1.681 11.836 -3.559 55 HH11 ARG 6 HH11 ARG 6 5.030 10.624 -3.363 56 HH12 ARG 6 HH12 ARG 6 5.477 11.633 -2.028 57 HH21 ARG 6 HH21 ARG 6 2.294 13.204 -1.746 58 HH22 ARG 6 HH22 ARG 6 3.896 13.122 -1.095 59 H ILE 7 HN ILE 7 -1.176 9.410 -6.667 60 HA ILE 7 HA ILE 7 0.849 8.420 -8.468 61 HB ILE 7 HB ILE 7 -2.045 7.658 -8.866 62 HG12 ILE 7 HG12 ILE 7 -1.062 5.378 -7.718 63 HG13 ILE 7 HG11 ILE 7 -0.122 6.599 -6.790 64 HG21 ILE 7 HG21 ILE 7 -1.001 5.813 -10.171 65 HG22 ILE 7 HG22 ILE 7 0.641 6.298 -9.600 66 HG23 ILE 7 HG23 ILE 7 -0.295 7.392 -10.688 67 HD11 ILE 7 HD11 ILE 7 -2.126 6.176 -5.523 68 HD12 ILE 7 HD12 ILE 7 -3.181 6.351 -6.977 69 HD13 ILE 7 HD13 ILE 7 -2.338 7.792 -6.291 70 H ILE 8 HN ILE 8 -2.201 9.969 -7.735 71 HA ILE 8 HA ILE 8 -2.159 11.592 -10.052 72 HB ILE 8 HB ILE 8 -3.421 12.333 -7.383 73 HG12 ILE 8 HG12 ILE 8 -5.451 10.929 -8.363 74 HG13 ILE 8 HG11 ILE 8 -4.149 10.021 -9.209 75 HG21 ILE 8 HG21 ILE 8 -3.681 13.982 -9.158 76 HG22 ILE 8 HG22 ILE 8 -5.261 13.117 -9.046 77 HG23 ILE 8 HG23 ILE 8 -4.108 12.721 -10.377 78 HD11 ILE 8 HD11 ILE 8 -3.259 10.329 -6.471 79 HD12 ILE 8 HD12 ILE 8 -3.790 8.818 -7.305 80 HD13 ILE 8 HD13 ILE 8 -4.994 9.816 -6.401 81 H LEU 9 HN LEU 9 -1.118 11.729 -6.640 82 HA LEU 9 HA LEU 9 -0.139 14.297 -7.118 83 HB2 LEU 9 HB2 LEU 9 0.311 12.172 -5.048 84 HB3 LEU 9 HB1 LEU 9 1.326 13.649 -5.084 85 HG LEU 9 HG LEU 9 -0.592 13.868 -3.485 86 HD11 LEU 9 HD11 LEU 9 -1.620 15.973 -5.076 87 HD12 LEU 9 HD12 LEU 9 0.041 15.716 -5.737 88 HD13 LEU 9 HD13 LEU 9 -0.190 16.065 -3.979 89 HD21 LEU 9 HD21 LEU 9 -2.874 13.759 -4.144 90 HD22 LEU 9 HD22 LEU 9 -2.122 12.405 -5.076 91 HD23 LEU 9 HD23 LEU 9 -2.487 13.974 -5.898 92 H DAS 10 HN DAS 10 0.738 11.038 -7.599 93 HA DAS 10 HA DAS 10 2.532 10.134 -8.376 94 HB2 DAS 10 HB2 DAS 10 4.061 12.732 -8.347 95 HB3 DAS 10 HB1 DAS 10 3.737 11.856 -6.803 96 H PHE 11 HN PHE 11 0.812 12.676 -9.525 97 HA PHE 11 HA PHE 11 2.107 12.542 -12.171 98 HB2 PHE 11 HB2 PHE 11 -0.016 12.080 -13.063 99 HB3 PHE 11 HB1 PHE 11 -0.665 12.075 -11.365 100 HD1 PHE 11 HD1 PHE 11 0.221 14.378 -14.169 101 HD2 PHE 11 HD2 PHE 11 -1.970 13.658 -10.665 102 HE1 PHE 11 HE1 PHE 11 -0.744 16.593 -14.304 103 HE2 PHE 11 HE2 PHE 11 -2.853 15.801 -10.676 104 HZ PHE 11 HZ PHE 11 -2.347 17.361 -12.569 105 H LEU 12 HN LEU 12 0.803 14.338 -9.398 106 HA LEU 12 HA LEU 12 0.529 16.817 -10.599 107 HB2 LEU 12 HB2 LEU 12 0.790 15.635 -7.949 108 HB3 LEU 12 HB1 LEU 12 1.404 17.321 -7.983 109 HG LEU 12 HG LEU 12 -0.704 17.622 -7.346 110 HD11 LEU 12 HD11 LEU 12 -1.309 17.513 -10.337 111 HD12 LEU 12 HD12 LEU 12 -0.267 18.774 -9.584 112 HD13 LEU 12 HD13 LEU 12 -2.001 18.627 -9.099 113 HD21 LEU 12 HD21 LEU 12 -1.449 15.386 -7.195 114 HD22 LEU 12 HD22 LEU 12 -1.471 15.198 -8.985 115 HD23 LEU 12 HD23 LEU 12 -2.695 16.246 -8.182 116 H PHE 13 HN PHE 13 3.344 15.530 -8.771 117 HA PHE 13 HA PHE 13 4.649 18.017 -9.246 118 HB2 PHE 13 HB2 PHE 13 6.210 15.600 -8.285 119 HB3 PHE 13 HB1 PHE 13 6.302 17.326 -7.714 120 HD1 PHE 13 HD1 PHE 13 5.255 14.194 -6.939 121 HD2 PHE 13 HD2 PHE 13 4.002 18.223 -6.996 122 HE1 PHE 13 HE1 PHE 13 3.463 13.662 -5.452 123 HE2 PHE 13 HE2 PHE 13 2.222 17.702 -5.484 124 HZ PHE 13 HZ PHE 13 1.943 15.430 -4.701 125 H LEU 14 HN LEU 14 3.724 15.870 -11.233 126 HA LEU 14 HA LEU 14 6.251 15.657 -12.636 127 HB2 LEU 14 HB2 LEU 14 3.769 13.908 -12.801 128 HB3 LEU 14 HB1 LEU 14 5.238 13.694 -13.832 129 HG LEU 14 HG LEU 14 4.930 13.259 -10.798 130 HD11 LEU 14 HD11 LEU 14 5.512 10.993 -11.254 131 HD12 LEU 14 HD12 LEU 14 6.271 11.385 -12.842 132 HD13 LEU 14 HD13 LEU 14 4.477 11.434 -12.665 133 HD21 LEU 14 HD21 LEU 14 7.016 14.309 -10.673 134 HD22 LEU 14 HD22 LEU 14 7.473 13.902 -12.370 135 HD23 LEU 14 HD23 LEU 14 7.552 12.638 -11.086 136 H ARG 15 HN ARG 15 3.223 17.243 -12.596 137 HA ARG 15 HA ARG 15 2.727 17.091 -15.383 138 HB2 ARG 15 HB2 ARG 15 1.045 18.750 -15.073 139 HB3 ARG 15 HB1 ARG 15 0.924 17.531 -13.746 140 HG2 ARG 15 HG2 ARG 15 2.459 19.245 -12.432 141 HG3 ARG 15 HG1 ARG 15 1.894 20.406 -13.681 142 HD2 ARG 15 HD2 ARG 15 -0.518 19.442 -13.071 143 HD3 ARG 15 HD1 ARG 15 0.317 18.979 -11.522 144 HE ARG 15 HE ARG 15 1.052 21.666 -12.014 145 HH11 ARG 15 HH11 ARG 15 -1.931 19.776 -11.552 146 HH12 ARG 15 HH12 ARG 15 -2.814 21.065 -10.804 147 HH21 ARG 15 HH21 ARG 15 -0.148 23.418 -11.001 148 HH22 ARG 15 HH22 ARG 15 -1.783 23.171 -10.485 149 H LYS 16 HN LYS 16 4.585 19.091 -13.219 150 HA LYS 16 HA LYS 16 6.066 20.352 -15.069 151 HB2 LYS 16 HB2 LYS 16 4.975 22.450 -15.619 152 HB3 LYS 16 HB1 LYS 16 3.749 21.170 -15.931 153 HG2 LYS 16 HG2 LYS 16 2.376 22.469 -14.725 154 HG3 LYS 16 HG1 LYS 16 3.181 21.707 -13.320 155 HD2 LYS 16 HD2 LYS 16 4.761 23.614 -13.138 156 HD3 LYS 16 HD1 LYS 16 4.064 24.362 -14.615 157 HE2 LYS 16 HE2 LYS 16 1.849 24.618 -13.445 158 HE3 LYS 16 HE1 LYS 16 2.563 23.877 -11.952 159 HZ1 LYS 16 HZ1 LYS 16 2.749 26.532 -12.940 160 HZ2 LYS 16 HZ2 LYS 16 4.297 25.870 -12.714 161 HZ3 LYS 16 HZ3 LYS 16 3.187 25.894 -11.429 162 H LYS 17 HN LYS 17 4.158 20.289 -12.153 163 HA LYS 17 HA LYS 17 5.389 22.314 -10.735 164 HB2 LYS 17 HB2 LYS 17 3.888 19.754 -10.051 165 HB3 LYS 17 HB1 LYS 17 4.682 20.705 -8.728 166 HG2 LYS 17 HG2 LYS 17 3.406 22.726 -9.359 167 HG3 LYS 17 HG1 LYS 17 2.693 21.868 -10.772 168 HD2 LYS 17 HD2 LYS 17 1.029 21.875 -9.026 169 HD3 LYS 17 HD1 LYS 17 1.666 20.200 -9.145 170 HE2 LYS 17 HE2 LYS 17 3.087 20.555 -7.133 171 HE3 LYS 17 HE1 LYS 17 2.566 22.290 -7.045 172 HZ1 LYS 17 HZ1 LYS 17 0.490 20.228 -7.106 173 HZ2 LYS 17 HZ2 LYS 17 0.545 21.718 -6.294 174 HZ3 LYS 17 HZ3 LYS 17 1.408 20.388 -5.687 Start of MODEL 8 1 H1 ALA 1 HT1 ALA 1 -0.567 6.368 4.142 2 H2 ALA 1 HT2 ALA 1 -0.060 5.353 2.877 3 H3 ALA 1 HT3 ALA 1 0.689 5.255 4.399 4 HA ALA 1 HA ALA 1 -0.678 3.644 4.892 5 HB1 ALA 1 HB1 ALA 1 -3.055 4.298 5.495 6 HB2 ALA 1 HB2 ALA 1 -2.800 5.864 4.636 7 HB3 ALA 1 HB3 ALA 1 -1.845 5.482 6.118 8 H MET 2 HN MET 2 -2.266 5.588 2.259 9 HA MET 2 HA MET 2 -2.849 3.008 0.980 10 HB2 MET 2 HB2 MET 2 -4.569 5.560 0.900 11 HB3 MET 2 HB1 MET 2 -4.882 4.065 -0.048 12 HG2 MET 2 HG2 MET 2 -5.214 2.774 2.055 13 HG3 MET 2 HG1 MET 2 -4.868 4.241 3.025 14 HE1 MET 2 HE1 MET 2 -7.225 2.511 3.572 15 HE2 MET 2 HE2 MET 2 -8.602 3.654 3.737 16 HE3 MET 2 HE3 MET 2 -6.993 4.086 4.408 17 H ARG 3 HN ARG 3 -2.271 2.933 -1.243 18 HA ARG 3 HA ARG 3 -0.998 5.390 -2.125 19 HB2 ARG 3 HB2 ARG 3 0.321 3.208 -2.262 20 HB3 ARG 3 HB1 ARG 3 -0.915 2.632 -3.433 21 HG2 ARG 3 HG2 ARG 3 0.821 3.457 -4.815 22 HG3 ARG 3 HG1 ARG 3 -0.397 4.779 -4.789 23 HD2 ARG 3 HD2 ARG 3 1.824 5.792 -4.519 24 HD3 ARG 3 HD1 ARG 3 0.984 5.888 -2.909 25 HE ARG 3 HE ARG 3 2.473 3.422 -3.040 26 HH11 ARG 3 HH11 ARG 3 2.911 6.956 -2.913 27 HH12 ARG 3 HH12 ARG 3 4.414 6.893 -2.056 28 HH21 ARG 3 HH21 ARG 3 4.517 3.337 -1.874 29 HH22 ARG 3 HH22 ARG 3 5.342 4.801 -1.455 30 H ILE 4 HN ILE 4 -3.188 6.230 -2.213 31 HA ILE 4 HA ILE 4 -4.319 5.561 -4.826 32 HB ILE 4 HB ILE 4 -6.433 6.463 -3.919 33 HG12 ILE 4 HG12 ILE 4 -4.921 6.312 -1.252 34 HG13 ILE 4 HG11 ILE 4 -5.388 7.816 -2.122 35 HG21 ILE 4 HG21 ILE 4 -6.927 4.355 -2.514 36 HG22 ILE 4 HG22 ILE 4 -5.156 3.997 -2.554 37 HG23 ILE 4 HG23 ILE 4 -6.109 4.016 -4.087 38 HD11 ILE 4 HD11 ILE 4 -7.226 5.769 -0.754 39 HD12 ILE 4 HD12 ILE 4 -7.852 6.941 -1.975 40 HD13 ILE 4 HD13 ILE 4 -7.085 7.542 -0.456 41 H SER 5 HN SER 5 -2.845 7.761 -2.683 42 HA SER 5 HA SER 5 -3.722 9.944 -4.435 43 HB2 SER 5 HB2 SER 5 -3.439 11.531 -2.478 44 HB3 SER 5 HB1 SER 5 -4.750 10.319 -2.203 45 HG SER 5 HG SER 5 -2.150 10.458 -1.130 46 H ARG 6 HN ARG 6 -1.324 8.187 -4.770 47 HA ARG 6 HA ARG 6 0.429 10.408 -4.827 48 HB2 ARG 6 HB2 ARG 6 0.796 8.601 -2.764 49 HB3 ARG 6 HB1 ARG 6 1.867 7.937 -4.059 50 HG2 ARG 6 HG2 ARG 6 1.815 10.832 -3.071 51 HG3 ARG 6 HG1 ARG 6 3.066 9.608 -2.645 52 HD2 ARG 6 HD2 ARG 6 2.454 10.317 -5.593 53 HD3 ARG 6 HD1 ARG 6 3.620 11.306 -4.598 54 HE ARG 6 HE ARG 6 4.020 8.524 -5.561 55 HH11 ARG 6 HH11 ARG 6 4.976 11.107 -3.294 56 HH12 ARG 6 HH12 ARG 6 6.567 10.482 -3.014 57 HH21 ARG 6 HH21 ARG 6 6.181 7.681 -5.179 58 HH22 ARG 6 HH22 ARG 6 7.262 8.503 -4.106 59 H ILE 7 HN ILE 7 -1.137 9.427 -6.690 60 HA ILE 7 HA ILE 7 0.831 8.349 -8.496 61 HB ILE 7 HB ILE 7 -2.102 7.672 -8.782 62 HG12 ILE 7 HG12 ILE 7 -1.128 5.383 -7.638 63 HG13 ILE 7 HG11 ILE 7 -0.114 6.594 -6.777 64 HG21 ILE 7 HG21 ILE 7 0.527 6.264 -9.630 65 HG22 ILE 7 HG22 ILE 7 -0.487 7.317 -10.689 66 HG23 ILE 7 HG23 ILE 7 -1.144 5.752 -10.077 67 HD11 ILE 7 HD11 ILE 7 -1.987 6.371 -5.361 68 HD12 ILE 7 HD12 ILE 7 -3.160 6.288 -6.733 69 HD13 ILE 7 HD13 ILE 7 -2.370 7.855 -6.307 70 H ILE 8 HN ILE 8 -2.157 9.999 -7.732 71 HA ILE 8 HA ILE 8 -2.105 11.585 -10.074 72 HB ILE 8 HB ILE 8 -3.348 12.386 -7.416 73 HG12 ILE 8 HG12 ILE 8 -5.398 10.989 -8.374 74 HG13 ILE 8 HG11 ILE 8 -4.102 10.043 -9.187 75 HG21 ILE 8 HG21 ILE 8 -5.184 13.164 -9.084 76 HG22 ILE 8 HG22 ILE 8 -4.046 12.724 -10.413 77 HG23 ILE 8 HG23 ILE 8 -3.592 14.003 -9.222 78 HD11 ILE 8 HD11 ILE 8 -3.825 8.875 -7.246 79 HD12 ILE 8 HD12 ILE 8 -4.947 9.975 -6.356 80 HD13 ILE 8 HD13 ILE 8 -3.187 10.382 -6.482 81 H LEU 9 HN LEU 9 -1.057 11.762 -6.661 82 HA LEU 9 HA LEU 9 -0.047 14.308 -7.185 83 HB2 LEU 9 HB2 LEU 9 0.386 12.213 -5.078 84 HB3 LEU 9 HB1 LEU 9 1.414 13.679 -5.142 85 HG LEU 9 HG LEU 9 -0.500 13.940 -3.543 86 HD11 LEU 9 HD11 LEU 9 0.155 15.749 -5.822 87 HD12 LEU 9 HD12 LEU 9 -0.070 16.125 -4.067 88 HD13 LEU 9 HD13 LEU 9 -1.501 16.036 -5.163 89 HD21 LEU 9 HD21 LEU 9 -2.786 13.859 -4.206 90 HD22 LEU 9 HD22 LEU 9 -2.050 12.474 -5.106 91 HD23 LEU 9 HD23 LEU 9 -2.389 14.029 -5.962 92 H DAS 10 HN DAS 10 0.776 11.038 -7.604 93 HA DAS 10 HA DAS 10 2.560 10.082 -8.366 94 HB2 DAS 10 HB2 DAS 10 4.145 12.643 -8.421 95 HB3 DAS 10 HB1 DAS 10 3.781 11.859 -6.840 96 H PHE 11 HN PHE 11 0.869 12.620 -9.566 97 HA PHE 11 HA PHE 11 2.163 12.419 -12.208 98 HB2 PHE 11 HB2 PHE 11 0.035 11.971 -13.093 99 HB3 PHE 11 HB1 PHE 11 -0.612 12.003 -11.394 100 HD1 PHE 11 HD1 PHE 11 0.290 14.247 -14.242 101 HD2 PHE 11 HD2 PHE 11 -1.893 13.610 -10.718 102 HE1 PHE 11 HE1 PHE 11 -0.660 16.467 -14.416 103 HE2 PHE 11 HE2 PHE 11 -2.759 15.759 -10.764 104 HZ PHE 11 HZ PHE 11 -2.254 17.275 -12.687 105 H LEU 12 HN LEU 12 0.900 14.289 -9.469 106 HA LEU 12 HA LEU 12 0.673 16.748 -10.723 107 HB2 LEU 12 HB2 LEU 12 0.893 15.615 -8.052 108 HB3 LEU 12 HB1 LEU 12 1.554 17.281 -8.111 109 HG LEU 12 HG LEU 12 -0.542 17.672 -7.511 110 HD11 LEU 12 HD11 LEU 12 -0.034 18.620 -9.900 111 HD12 LEU 12 HD12 LEU 12 -1.718 18.742 -9.255 112 HD13 LEU 12 HD13 LEU 12 -1.296 17.460 -10.450 113 HD21 LEU 12 HD21 LEU 12 -2.566 16.312 -8.262 114 HD22 LEU 12 HD22 LEU 12 -1.319 15.445 -7.278 115 HD23 LEU 12 HD23 LEU 12 -1.385 15.211 -9.061 116 H PHE 13 HN PHE 13 3.463 15.454 -8.850 117 HA PHE 13 HA PHE 13 4.804 17.910 -9.362 118 HB2 PHE 13 HB2 PHE 13 6.325 15.467 -8.388 119 HB3 PHE 13 HB1 PHE 13 6.463 17.198 -7.841 120 HD1 PHE 13 HD1 PHE 13 5.340 14.106 -7.014 121 HD2 PHE 13 HD2 PHE 13 4.190 18.164 -7.126 122 HE1 PHE 13 HE1 PHE 13 3.536 13.641 -5.521 123 HE2 PHE 13 HE2 PHE 13 2.398 17.710 -5.604 124 HZ PHE 13 HZ PHE 13 2.060 15.456 -4.793 125 H LEU 14 HN LEU 14 3.839 15.733 -11.314 126 HA LEU 14 HA LEU 14 6.344 15.501 -12.748 127 HB2 LEU 14 HB2 LEU 14 3.839 13.779 -12.902 128 HB3 LEU 14 HB1 LEU 14 5.310 13.544 -13.924 129 HG LEU 14 HG LEU 14 4.992 13.142 -10.884 130 HD11 LEU 14 HD11 LEU 14 4.485 11.302 -12.714 131 HD12 LEU 14 HD12 LEU 14 5.539 10.857 -11.317 132 HD13 LEU 14 HD13 LEU 14 6.274 11.219 -12.923 133 HD21 LEU 14 HD21 LEU 14 7.597 12.464 -11.170 134 HD22 LEU 14 HD22 LEU 14 7.100 14.153 -10.784 135 HD23 LEU 14 HD23 LEU 14 7.543 13.707 -12.476 136 H ARG 15 HN ARG 15 3.395 17.225 -12.687 137 HA ARG 15 HA ARG 15 3.051 17.069 -15.546 138 HB2 ARG 15 HB2 ARG 15 1.278 18.812 -15.189 139 HB3 ARG 15 HB1 ARG 15 0.992 17.183 -14.481 140 HG2 ARG 15 HG2 ARG 15 0.955 17.971 -12.357 141 HG3 ARG 15 HG1 ARG 15 2.389 19.021 -12.624 142 HD2 ARG 15 HD2 ARG 15 0.652 20.586 -12.230 143 HD3 ARG 15 HD1 ARG 15 0.729 20.500 -14.048 144 HE ARG 15 HE ARG 15 -1.131 18.517 -13.104 145 HH11 ARG 15 HH11 ARG 15 -0.669 22.039 -13.359 146 HH12 ARG 15 HH12 ARG 15 -2.355 22.407 -13.503 147 HH21 ARG 15 HH21 ARG 15 -3.430 19.018 -13.302 148 HH22 ARG 15 HH22 ARG 15 -3.950 20.660 -13.470 149 H LYS 16 HN LYS 16 4.423 19.134 -13.080 150 HA LYS 16 HA LYS 16 5.964 20.595 -14.746 151 HB2 LYS 16 HB2 LYS 16 4.745 22.678 -15.193 152 HB3 LYS 16 HB1 LYS 16 3.760 21.311 -15.823 153 HG2 LYS 16 HG2 LYS 16 2.068 22.324 -14.725 154 HG3 LYS 16 HG1 LYS 16 2.731 21.446 -13.309 155 HD2 LYS 16 HD2 LYS 16 2.707 23.539 -12.353 156 HD3 LYS 16 HD1 LYS 16 4.285 23.704 -13.199 157 HE2 LYS 16 HE2 LYS 16 3.154 24.844 -15.123 158 HE3 LYS 16 HE1 LYS 16 1.549 24.648 -14.302 159 HZ1 LYS 16 HZ1 LYS 16 2.627 26.825 -14.003 160 HZ2 LYS 16 HZ2 LYS 16 3.873 26.080 -13.122 161 HZ3 LYS 16 HZ3 LYS 16 2.277 26.029 -12.545 162 H LYS 17 HN LYS 17 3.809 20.298 -12.009 163 HA LYS 17 HA LYS 17 4.791 22.327 -10.410 164 HB2 LYS 17 HB2 LYS 17 3.609 19.558 -9.804 165 HB3 LYS 17 HB1 LYS 17 3.966 20.768 -8.510 166 HG2 LYS 17 HG2 LYS 17 2.130 21.313 -10.923 167 HG3 LYS 17 HG1 LYS 17 1.541 20.706 -9.334 168 HD2 LYS 17 HD2 LYS 17 2.531 22.760 -8.231 169 HD3 LYS 17 HD1 LYS 17 3.013 23.368 -9.852 170 HE2 LYS 17 HE2 LYS 17 0.605 23.408 -10.563 171 HE3 LYS 17 HE1 LYS 17 0.116 22.787 -8.931 172 HZ1 LYS 17 HZ1 LYS 17 1.843 25.076 -8.811 173 HZ2 LYS 17 HZ2 LYS 17 0.343 24.784 -8.070 174 HZ3 LYS 17 HZ3 LYS 17 0.404 25.380 -9.658 Start of MODEL 9 1 H1 ALA 1 HT1 ALA 1 -1.026 6.606 4.181 2 H2 ALA 1 HT2 ALA 1 -0.327 5.622 2.986 3 H3 ALA 1 HT3 ALA 1 0.329 5.652 4.553 4 HA ALA 1 HA ALA 1 -0.873 3.903 5.008 5 HB1 ALA 1 HB1 ALA 1 -3.207 5.871 4.581 6 HB2 ALA 1 HB2 ALA 1 -2.303 5.620 6.122 7 HB3 ALA 1 HB3 ALA 1 -3.341 4.300 5.461 8 H MET 2 HN MET 2 -2.496 5.603 2.233 9 HA MET 2 HA MET 2 -2.725 2.947 1.000 10 HB2 MET 2 HB2 MET 2 -4.720 5.285 0.838 11 HB3 MET 2 HB1 MET 2 -4.791 3.814 -0.191 12 HG2 MET 2 HG2 MET 2 -5.126 2.382 1.799 13 HG3 MET 2 HG1 MET 2 -4.954 3.800 2.881 14 HE1 MET 2 HE1 MET 2 -6.768 1.850 0.311 15 HE2 MET 2 HE2 MET 2 -7.001 3.350 -0.649 16 HE3 MET 2 HE3 MET 2 -8.414 2.545 0.114 17 H ARG 3 HN ARG 3 -2.014 2.889 -1.185 18 HA ARG 3 HA ARG 3 -0.903 5.428 -2.033 19 HB2 ARG 3 HB2 ARG 3 0.330 3.035 -2.089 20 HB3 ARG 3 HB1 ARG 3 -0.567 2.899 -3.639 21 HG2 ARG 3 HG2 ARG 3 0.540 5.509 -3.685 22 HG3 ARG 3 HG1 ARG 3 1.835 4.479 -2.978 23 HD2 ARG 3 HD2 ARG 3 1.813 2.980 -4.924 24 HD3 ARG 3 HD1 ARG 3 0.332 3.800 -5.593 25 HE ARG 3 HE ARG 3 2.401 5.772 -5.193 26 HH11 ARG 3 HH11 ARG 3 1.570 2.934 -7.180 27 HH12 ARG 3 HH12 ARG 3 2.412 3.483 -8.590 28 HH21 ARG 3 HH21 ARG 3 3.535 6.525 -7.112 29 HH22 ARG 3 HH22 ARG 3 3.551 5.560 -8.550 30 H ILE 4 HN ILE 4 -3.170 6.093 -2.181 31 HA ILE 4 HA ILE 4 -4.152 5.393 -4.843 32 HB ILE 4 HB ILE 4 -6.329 6.235 -4.027 33 HG12 ILE 4 HG12 ILE 4 -4.909 6.166 -1.304 34 HG13 ILE 4 HG11 ILE 4 -5.413 7.640 -2.206 35 HG21 ILE 4 HG21 ILE 4 -5.867 3.793 -4.157 36 HG22 ILE 4 HG22 ILE 4 -6.822 4.121 -2.663 37 HG23 ILE 4 HG23 ILE 4 -5.041 3.835 -2.552 38 HD11 ILE 4 HD11 ILE 4 -7.286 7.475 -0.865 39 HD12 ILE 4 HD12 ILE 4 -7.084 5.701 -0.605 40 HD13 ILE 4 HD13 ILE 4 -7.825 6.310 -2.133 41 H SER 5 HN SER 5 -2.920 7.684 -2.600 42 HA SER 5 HA SER 5 -3.710 9.802 -4.472 43 HB2 SER 5 HB2 SER 5 -4.745 9.948 -2.068 44 HB3 SER 5 HB1 SER 5 -3.059 10.287 -1.510 45 HG SER 5 HG SER 5 -3.016 12.063 -2.836 46 H ARG 6 HN ARG 6 -1.358 8.191 -4.910 47 HA ARG 6 HA ARG 6 0.436 10.366 -4.729 48 HB2 ARG 6 HB2 ARG 6 1.080 9.168 -2.676 49 HB3 ARG 6 HB1 ARG 6 1.101 7.612 -3.578 50 HG2 ARG 6 HG2 ARG 6 3.380 8.807 -3.116 51 HG3 ARG 6 HG1 ARG 6 3.063 8.148 -4.753 52 HD2 ARG 6 HD2 ARG 6 4.060 10.417 -4.969 53 HD3 ARG 6 HD1 ARG 6 2.321 10.483 -5.507 54 HE ARG 6 HE ARG 6 1.813 11.778 -3.570 55 HH11 ARG 6 HH11 ARG 6 5.127 10.465 -3.427 56 HH12 ARG 6 HH12 ARG 6 5.617 11.441 -2.082 57 HH21 ARG 6 HH21 ARG 6 2.484 13.100 -1.743 58 HH22 ARG 6 HH22 ARG 6 4.091 12.962 -1.110 59 H ILE 7 HN ILE 7 -1.189 9.377 -6.664 60 HA ILE 7 HA ILE 7 0.818 8.418 -8.513 61 HB ILE 7 HB ILE 7 -2.092 7.688 -8.860 62 HG12 ILE 7 HG12 ILE 7 -1.103 5.393 -7.745 63 HG13 ILE 7 HG11 ILE 7 -0.127 6.601 -6.836 64 HG21 ILE 7 HG21 ILE 7 -1.085 5.836 -10.192 65 HG22 ILE 7 HG22 ILE 7 0.571 6.324 -9.666 66 HG23 ILE 7 HG23 ILE 7 -0.398 7.416 -10.726 67 HD11 ILE 7 HD11 ILE 7 -2.347 7.814 -6.304 68 HD12 ILE 7 HD12 ILE 7 -2.082 6.225 -5.499 69 HD13 ILE 7 HD13 ILE 7 -3.188 6.342 -6.921 70 H ILE 8 HN ILE 8 -2.163 10.040 -7.687 71 HA ILE 8 HA ILE 8 -2.156 11.655 -10.011 72 HB ILE 8 HB ILE 8 -3.316 12.405 -7.296 73 HG12 ILE 8 HG12 ILE 8 -5.416 11.089 -8.248 74 HG13 ILE 8 HG11 ILE 8 -4.167 10.156 -9.144 75 HG21 ILE 8 HG21 ILE 8 -3.559 14.094 -9.041 76 HG22 ILE 8 HG22 ILE 8 -5.168 13.294 -8.881 77 HG23 ILE 8 HG23 ILE 8 -4.082 12.869 -10.259 78 HD11 ILE 8 HD11 ILE 8 -3.773 8.912 -7.275 79 HD12 ILE 8 HD12 ILE 8 -4.957 9.898 -6.333 80 HD13 ILE 8 HD13 ILE 8 -3.218 10.397 -6.410 81 H LEU 9 HN LEU 9 -1.002 11.754 -6.636 82 HA LEU 9 HA LEU 9 0.037 14.294 -7.140 83 HB2 LEU 9 HB2 LEU 9 0.505 12.148 -5.094 84 HB3 LEU 9 HB1 LEU 9 1.552 13.601 -5.161 85 HG LEU 9 HG LEU 9 -0.292 13.863 -3.491 86 HD11 LEU 9 HD11 LEU 9 -1.344 15.980 -5.066 87 HD12 LEU 9 HD12 LEU 9 0.300 15.697 -5.757 88 HD13 LEU 9 HD13 LEU 9 0.107 16.055 -3.995 89 HD21 LEU 9 HD21 LEU 9 -2.270 13.973 -5.841 90 HD22 LEU 9 HD22 LEU 9 -2.609 13.825 -4.070 91 HD23 LEU 9 HD23 LEU 9 -1.918 12.423 -4.980 92 H DAS 10 HN DAS 10 0.795 11.012 -7.654 93 HA DAS 10 HA DAS 10 2.531 10.053 -8.497 94 HB2 DAS 10 HB2 DAS 10 4.146 12.597 -8.507 95 HB3 DAS 10 HB1 DAS 10 3.841 11.727 -6.956 96 H PHE 11 HN PHE 11 0.855 12.650 -9.583 97 HA PHE 11 HA PHE 11 2.063 12.483 -12.268 98 HB2 PHE 11 HB2 PHE 11 -0.098 12.088 -13.097 99 HB3 PHE 11 HB1 PHE 11 -0.691 12.091 -11.378 100 HD1 PHE 11 HD1 PHE 11 0.159 14.388 -14.198 101 HD2 PHE 11 HD2 PHE 11 -1.931 13.695 -10.630 102 HE1 PHE 11 HE1 PHE 11 -0.762 16.625 -14.292 103 HE2 PHE 11 HE2 PHE 11 -2.765 15.858 -10.598 104 HZ PHE 11 HZ PHE 11 -2.292 17.413 -12.498 105 H LEU 12 HN LEU 12 0.911 14.310 -9.452 106 HA LEU 12 HA LEU 12 0.688 16.802 -10.643 107 HB2 LEU 12 HB2 LEU 12 0.969 15.603 -8.005 108 HB3 LEU 12 HB1 LEU 12 1.653 17.262 -8.048 109 HG LEU 12 HG LEU 12 -0.418 17.666 -7.375 110 HD11 LEU 12 HD11 LEU 12 -1.618 18.804 -9.055 111 HD12 LEU 12 HD12 LEU 12 -1.267 17.540 -10.291 112 HD13 LEU 12 HD13 LEU 12 0.038 18.660 -9.760 113 HD21 LEU 12 HD21 LEU 12 -1.223 15.446 -7.176 114 HD22 LEU 12 HD22 LEU 12 -1.342 15.259 -8.963 115 HD23 LEU 12 HD23 LEU 12 -2.483 16.354 -8.102 116 H PHE 13 HN PHE 13 3.510 15.417 -8.889 117 HA PHE 13 HA PHE 13 4.878 17.862 -9.386 118 HB2 PHE 13 HB2 PHE 13 6.384 15.373 -8.512 119 HB3 PHE 13 HB1 PHE 13 6.569 17.090 -7.933 120 HD1 PHE 13 HD1 PHE 13 5.418 13.999 -7.138 121 HD2 PHE 13 HD2 PHE 13 4.336 18.078 -7.128 122 HE1 PHE 13 HE1 PHE 13 3.651 13.532 -5.600 123 HE2 PHE 13 HE2 PHE 13 2.583 17.621 -5.562 124 HZ PHE 13 HZ PHE 13 2.230 15.357 -4.788 125 H LEU 14 HN LEU 14 3.816 15.741 -11.352 126 HA LEU 14 HA LEU 14 6.272 15.499 -12.868 127 HB2 LEU 14 HB2 LEU 14 3.734 13.823 -12.974 128 HB3 LEU 14 HB1 LEU 14 5.165 13.584 -14.051 129 HG LEU 14 HG LEU 14 4.942 13.121 -11.012 130 HD11 LEU 14 HD11 LEU 14 5.442 10.839 -11.514 131 HD12 LEU 14 HD12 LEU 14 6.129 11.228 -13.136 132 HD13 LEU 14 HD13 LEU 14 4.350 11.330 -12.864 133 HD21 LEU 14 HD21 LEU 14 7.066 14.105 -10.963 134 HD22 LEU 14 HD22 LEU 14 7.450 13.680 -12.674 135 HD23 LEU 14 HD23 LEU 14 7.525 12.415 -11.392 136 H ARG 15 HN ARG 15 3.360 17.273 -12.683 137 HA ARG 15 HA ARG 15 2.918 17.173 -15.531 138 HB2 ARG 15 HB2 ARG 15 1.198 18.950 -15.083 139 HB3 ARG 15 HB1 ARG 15 0.898 17.315 -14.397 140 HG2 ARG 15 HG2 ARG 15 0.954 18.059 -12.257 141 HG3 ARG 15 HG1 ARG 15 2.399 19.087 -12.555 142 HD2 ARG 15 HD2 ARG 15 0.709 20.677 -12.070 143 HD3 ARG 15 HD1 ARG 15 0.716 20.624 -13.891 144 HE ARG 15 HE ARG 15 -1.145 18.659 -12.919 145 HH11 ARG 15 HH11 ARG 15 -0.624 22.176 -13.106 146 HH12 ARG 15 HH12 ARG 15 -2.306 22.580 -13.174 147 HH21 ARG 15 HH21 ARG 15 -3.440 19.208 -13.013 148 HH22 ARG 15 HH22 ARG 15 -3.933 20.863 -13.120 149 H LYS 16 HN LYS 16 4.424 19.166 -13.084 150 HA LYS 16 HA LYS 16 5.934 20.621 -14.781 151 HB2 LYS 16 HB2 LYS 16 4.746 22.739 -15.146 152 HB3 LYS 16 HB1 LYS 16 3.710 21.404 -15.766 153 HG2 LYS 16 HG2 LYS 16 2.080 22.431 -14.590 154 HG3 LYS 16 HG1 LYS 16 2.774 21.515 -13.214 155 HD2 LYS 16 HD2 LYS 16 2.827 23.592 -12.223 156 HD3 LYS 16 HD1 LYS 16 4.378 23.739 -13.122 157 HE2 LYS 16 HE2 LYS 16 3.200 24.929 -14.988 158 HE3 LYS 16 HE1 LYS 16 1.624 24.761 -14.104 159 HZ1 LYS 16 HZ1 LYS 16 2.747 25.958 -12.241 160 HZ2 LYS 16 HZ2 LYS 16 2.477 26.870 -13.648 161 HZ3 LYS 16 HZ3 LYS 16 4.035 26.294 -13.296 162 H LYS 17 HN LYS 17 3.872 20.323 -11.972 163 HA LYS 17 HA LYS 17 4.958 22.302 -10.378 164 HB2 LYS 17 HB2 LYS 17 3.729 19.552 -9.777 165 HB3 LYS 17 HB1 LYS 17 4.164 20.729 -8.475 166 HG2 LYS 17 HG2 LYS 17 2.257 21.367 -10.808 167 HG3 LYS 17 HG1 LYS 17 1.710 20.746 -9.211 168 HD2 LYS 17 HD2 LYS 17 2.794 22.751 -8.107 169 HD3 LYS 17 HD1 LYS 17 3.235 23.377 -9.733 170 HE2 LYS 17 HE2 LYS 17 0.805 23.495 -10.357 171 HE3 LYS 17 HE1 LYS 17 0.357 22.857 -8.719 172 HZ1 LYS 17 HZ1 LYS 17 0.644 24.838 -7.847 173 HZ2 LYS 17 HZ2 LYS 17 0.719 25.461 -9.425 174 HZ3 LYS 17 HZ3 LYS 17 2.149 25.085 -8.591 Start of MODEL 10 1 H1 ALA 1 HT1 ALA 1 -0.690 5.546 2.995 2 H2 ALA 1 HT2 ALA 1 -0.186 5.617 4.615 3 H3 ALA 1 HT3 ALA 1 -1.631 6.374 4.142 4 HA ALA 1 HA ALA 1 -1.151 3.697 4.924 5 HB1 ALA 1 HB1 ALA 1 -2.920 5.143 5.927 6 HB2 ALA 1 HB2 ALA 1 -3.683 3.710 5.140 7 HB3 ALA 1 HB3 ALA 1 -3.704 5.313 4.311 8 H MET 2 HN MET 2 -2.763 5.224 2.043 9 HA MET 2 HA MET 2 -2.469 2.605 0.741 10 HB2 MET 2 HB2 MET 2 -4.765 4.633 0.433 11 HB3 MET 2 HB1 MET 2 -4.518 3.206 -0.632 12 HG2 MET 2 HG2 MET 2 -4.832 1.665 1.276 13 HG3 MET 2 HG1 MET 2 -4.967 3.047 2.408 14 HE1 MET 2 HE1 MET 2 -7.926 1.416 -0.711 15 HE2 MET 2 HE2 MET 2 -6.202 1.007 -0.409 16 HE3 MET 2 HE3 MET 2 -6.625 2.493 -1.327 17 H ARG 3 HN ARG 3 -1.471 2.732 -1.319 18 HA ARG 3 HA ARG 3 -0.728 5.428 -2.031 19 HB2 ARG 3 HB2 ARG 3 0.993 3.565 -2.044 20 HB3 ARG 3 HB1 ARG 3 0.051 2.811 -3.376 21 HG2 ARG 3 HG2 ARG 3 0.430 4.718 -4.833 22 HG3 ARG 3 HG1 ARG 3 1.154 5.670 -3.492 23 HD2 ARG 3 HD2 ARG 3 2.977 4.821 -4.886 24 HD3 ARG 3 HD1 ARG 3 2.978 3.858 -3.339 25 HE ARG 3 HE ARG 3 1.314 2.520 -5.274 26 HH11 ARG 3 HH11 ARG 3 4.704 3.374 -4.595 27 HH12 ARG 3 HH12 ARG 3 5.375 1.994 -5.397 28 HH21 ARG 3 HH21 ARG 3 2.225 0.642 -6.367 29 HH22 ARG 3 HH22 ARG 3 3.941 0.414 -6.423 30 H ILE 4 HN ILE 4 -2.963 5.913 -2.419 31 HA ILE 4 HA ILE 4 -3.617 5.172 -5.171 32 HB ILE 4 HB ILE 4 -5.967 5.685 -4.527 33 HG12 ILE 4 HG12 ILE 4 -4.783 5.576 -1.697 34 HG13 ILE 4 HG11 ILE 4 -5.386 7.047 -2.537 35 HG21 ILE 4 HG21 ILE 4 -4.506 3.359 -3.097 36 HG22 ILE 4 HG22 ILE 4 -5.173 3.338 -4.774 37 HG23 ILE 4 HG23 ILE 4 -6.291 3.428 -3.360 38 HD11 ILE 4 HD11 ILE 4 -7.613 5.438 -2.784 39 HD12 ILE 4 HD12 ILE 4 -7.335 6.561 -1.399 40 HD13 ILE 4 HD13 ILE 4 -6.936 4.809 -1.234 41 H SER 5 HN SER 5 -2.975 7.487 -2.699 42 HA SER 5 HA SER 5 -3.973 9.583 -4.485 43 HB2 SER 5 HB2 SER 5 -4.001 11.113 -2.479 44 HB3 SER 5 HB1 SER 5 -5.088 9.688 -2.247 45 HG SER 5 HG SER 5 -2.619 10.306 -1.086 46 H ARG 6 HN ARG 6 -1.269 8.029 -4.415 47 HA ARG 6 HA ARG 6 0.202 10.499 -4.446 48 HB2 ARG 6 HB2 ARG 6 0.981 9.358 -2.417 49 HB3 ARG 6 HB1 ARG 6 1.098 7.804 -3.310 50 HG2 ARG 6 HG2 ARG 6 3.298 9.146 -2.864 51 HG3 ARG 6 HG1 ARG 6 3.021 8.461 -4.499 52 HD2 ARG 6 HD2 ARG 6 3.860 10.786 -4.733 53 HD3 ARG 6 HD1 ARG 6 2.113 10.739 -5.248 54 HE ARG 6 HE ARG 6 1.546 12.003 -3.307 55 HH11 ARG 6 HH11 ARG 6 4.941 10.912 -3.209 56 HH12 ARG 6 HH12 ARG 6 5.384 11.921 -1.873 57 HH21 ARG 6 HH21 ARG 6 2.154 13.370 -1.492 58 HH22 ARG 6 HH22 ARG 6 3.774 13.339 -0.881 59 H ILE 7 HN ILE 7 -1.340 9.445 -6.356 60 HA ILE 7 HA ILE 7 0.675 8.543 -8.224 61 HB ILE 7 HB ILE 7 -1.999 7.989 -9.161 62 HG12 ILE 7 HG12 ILE 7 -2.442 7.953 -6.656 63 HG13 ILE 7 HG11 ILE 7 -2.854 6.448 -7.548 64 HG21 ILE 7 HG21 ILE 7 0.504 6.308 -8.508 65 HG22 ILE 7 HG22 ILE 7 -0.078 6.868 -10.121 66 HG23 ILE 7 HG23 ILE 7 -0.988 5.592 -9.227 67 HD11 ILE 7 HD11 ILE 7 -1.407 6.533 -5.195 68 HD12 ILE 7 HD12 ILE 7 -0.068 6.525 -6.406 69 HD13 ILE 7 HD13 ILE 7 -1.291 5.197 -6.403 70 H ILE 8 HN ILE 8 -2.258 10.229 -7.386 71 HA ILE 8 HA ILE 8 -2.255 11.828 -9.701 72 HB ILE 8 HB ILE 8 -3.431 12.460 -6.953 73 HG12 ILE 8 HG12 ILE 8 -5.545 11.344 -8.116 74 HG13 ILE 8 HG11 ILE 8 -4.295 10.463 -9.062 75 HG21 ILE 8 HG21 ILE 8 -5.169 13.635 -8.434 76 HG22 ILE 8 HG22 ILE 8 -4.142 13.247 -9.865 77 HG23 ILE 8 HG23 ILE 8 -3.507 14.324 -8.563 78 HD11 ILE 8 HD11 ILE 8 -3.475 10.392 -6.262 79 HD12 ILE 8 HD12 ILE 8 -3.977 9.022 -7.326 80 HD13 ILE 8 HD13 ILE 8 -5.216 9.899 -6.350 81 H LEU 9 HN LEU 9 -1.144 12.067 -6.310 82 HA LEU 9 HA LEU 9 -0.134 14.597 -6.931 83 HB2 LEU 9 HB2 LEU 9 0.218 12.586 -4.746 84 HB3 LEU 9 HB1 LEU 9 1.378 13.951 -4.888 85 HG LEU 9 HG LEU 9 -0.510 14.433 -3.282 86 HD11 LEU 9 HD11 LEU 9 -1.298 16.600 -4.861 87 HD12 LEU 9 HD12 LEU 9 0.253 16.115 -5.650 88 HD13 LEU 9 HD13 LEU 9 0.221 16.523 -3.889 89 HD21 LEU 9 HD21 LEU 9 -2.331 14.549 -5.768 90 HD22 LEU 9 HD22 LEU 9 -2.797 14.689 -4.026 91 HD23 LEU 9 HD23 LEU 9 -2.234 13.107 -4.687 92 H DAS 10 HN DAS 10 0.680 11.314 -7.306 93 HA DAS 10 HA DAS 10 2.476 10.353 -8.040 94 HB2 DAS 10 HB2 DAS 10 4.076 12.895 -8.252 95 HB3 DAS 10 HB1 DAS 10 3.713 12.244 -6.612 96 H PHE 11 HN PHE 11 0.748 12.852 -9.281 97 HA PHE 11 HA PHE 11 1.983 12.566 -11.945 98 HB2 PHE 11 HB2 PHE 11 -0.172 12.123 -12.768 99 HB3 PHE 11 HB1 PHE 11 -0.782 12.216 -11.059 100 HD1 PHE 11 HD1 PHE 11 0.081 14.344 -13.999 101 HD2 PHE 11 HD2 PHE 11 -2.010 13.877 -10.393 102 HE1 PHE 11 HE1 PHE 11 -0.832 16.573 -14.228 103 HE2 PHE 11 HE2 PHE 11 -2.839 16.037 -10.495 104 HZ PHE 11 HZ PHE 11 -2.357 17.478 -12.487 105 H LEU 12 HN LEU 12 0.807 14.527 -9.236 106 HA LEU 12 HA LEU 12 0.569 16.954 -10.541 107 HB2 LEU 12 HB2 LEU 12 0.862 15.881 -7.853 108 HB3 LEU 12 HB1 LEU 12 1.542 17.538 -7.971 109 HG LEU 12 HG LEU 12 -0.528 17.960 -7.307 110 HD11 LEU 12 HD11 LEU 12 -1.365 17.714 -10.220 111 HD12 LEU 12 HD12 LEU 12 -0.081 18.871 -9.716 112 HD13 LEU 12 HD13 LEU 12 -1.747 19.014 -9.031 113 HD21 LEU 12 HD21 LEU 12 -2.594 16.608 -8.041 114 HD22 LEU 12 HD22 LEU 12 -1.366 15.792 -6.993 115 HD23 LEU 12 HD23 LEU 12 -1.405 15.462 -8.762 116 H PHE 13 HN PHE 13 3.407 15.659 -8.755 117 HA PHE 13 HA PHE 13 4.771 18.081 -9.380 118 HB2 PHE 13 HB2 PHE 13 6.294 15.660 -8.371 119 HB3 PHE 13 HB1 PHE 13 6.448 17.403 -7.871 120 HD1 PHE 13 HD1 PHE 13 5.386 14.342 -6.902 121 HD2 PHE 13 HD2 PHE 13 4.162 18.374 -7.146 122 HE1 PHE 13 HE1 PHE 13 3.629 13.911 -5.337 123 HE2 PHE 13 HE2 PHE 13 2.420 17.953 -5.562 124 HZ PHE 13 HZ PHE 13 2.144 15.729 -4.650 125 H LEU 14 HN LEU 14 3.703 15.895 -11.247 126 HA LEU 14 HA LEU 14 6.172 15.538 -12.722 127 HB2 LEU 14 HB2 LEU 14 3.635 13.862 -12.733 128 HB3 LEU 14 HB1 LEU 14 5.063 13.561 -13.799 129 HG LEU 14 HG LEU 14 4.844 13.263 -10.740 130 HD11 LEU 14 HD11 LEU 14 5.360 10.959 -11.120 131 HD12 LEU 14 HD12 LEU 14 6.039 11.266 -12.763 132 HD13 LEU 14 HD13 LEU 14 4.259 11.374 -12.490 133 HD21 LEU 14 HD21 LEU 14 7.345 13.772 -12.420 134 HD22 LEU 14 HD22 LEU 14 7.437 12.538 -11.107 135 HD23 LEU 14 HD23 LEU 14 6.968 14.234 -10.717 136 H ARG 15 HN ARG 15 3.212 17.269 -12.691 137 HA ARG 15 HA ARG 15 2.646 16.933 -15.452 138 HB2 ARG 15 HB2 ARG 15 1.108 18.804 -15.247 139 HB3 ARG 15 HB1 ARG 15 0.832 17.547 -13.981 140 HG2 ARG 15 HG2 ARG 15 2.488 19.126 -12.571 141 HG3 ARG 15 HG1 ARG 15 1.919 20.360 -13.742 142 HD2 ARG 15 HD2 ARG 15 -0.052 18.549 -12.270 143 HD3 ARG 15 HD1 ARG 15 0.547 20.108 -11.541 144 HE ARG 15 HE ARG 15 -0.339 20.572 -14.260 145 HH11 ARG 15 HH11 ARG 15 -1.530 19.819 -10.990 146 HH12 ARG 15 HH12 ARG 15 -3.075 20.568 -11.215 147 HH21 ARG 15 HH21 ARG 15 -2.436 21.591 -14.564 148 HH22 ARG 15 HH22 ARG 15 -3.598 21.592 -13.281 149 H LYS 16 HN LYS 16 4.605 19.009 -13.463 150 HA LYS 16 HA LYS 16 6.124 20.047 -15.420 151 HB2 LYS 16 HB2 LYS 16 5.141 22.178 -16.075 152 HB3 LYS 16 HB1 LYS 16 3.873 20.929 -16.334 153 HG2 LYS 16 HG2 LYS 16 2.530 22.322 -15.198 154 HG3 LYS 16 HG1 LYS 16 3.315 21.626 -13.749 155 HD2 LYS 16 HD2 LYS 16 3.673 23.853 -13.252 156 HD3 LYS 16 HD1 LYS 16 5.128 23.589 -14.275 157 HE2 LYS 16 HE2 LYS 16 3.931 24.520 -16.263 158 HE3 LYS 16 HE1 LYS 16 2.429 24.737 -15.269 159 HZ1 LYS 16 HZ1 LYS 16 4.869 25.901 -14.196 160 HZ2 LYS 16 HZ2 LYS 16 3.282 26.504 -14.250 161 HZ3 LYS 16 HZ3 LYS 16 4.274 26.600 -15.624 162 H LYS 17 HN LYS 17 4.260 20.302 -12.482 163 HA LYS 17 HA LYS 17 5.619 22.334 -11.207 164 HB2 LYS 17 HB2 LYS 17 4.195 19.803 -10.217 165 HB3 LYS 17 HB1 LYS 17 4.864 21.045 -9.080 166 HG2 LYS 17 HG2 LYS 17 3.433 22.797 -10.179 167 HG3 LYS 17 HG1 LYS 17 2.756 21.543 -11.276 168 HD2 LYS 17 HD2 LYS 17 1.860 20.298 -9.303 169 HD3 LYS 17 HD1 LYS 17 2.553 21.536 -8.200 170 HE2 LYS 17 HE2 LYS 17 1.082 23.293 -9.235 171 HE3 LYS 17 HE1 LYS 17 0.386 22.046 -10.352 172 HZ1 LYS 17 HZ1 LYS 17 -0.131 20.807 -8.195 173 HZ2 LYS 17 HZ2 LYS 17 -1.082 22.150 -8.615 174 HZ3 LYS 17 HZ3 LYS 17 0.117 22.298 -7.422 Start of MODEL 11 1 H1 ALA 1 HT1 ALA 1 -2.530 5.357 5.909 2 H2 ALA 1 HT2 ALA 1 -3.319 5.311 4.406 3 H3 ALA 1 HT3 ALA 1 -2.097 6.458 4.690 4 HA ALA 1 HA ALA 1 -0.509 5.087 4.127 5 HB1 ALA 1 HB1 ALA 1 -0.711 3.992 6.392 6 HB2 ALA 1 HB2 ALA 1 -0.283 2.787 5.118 7 HB3 ALA 1 HB3 ALA 1 -1.980 2.897 5.723 8 H MET 2 HN MET 2 -2.458 5.569 2.238 9 HA MET 2 HA MET 2 -2.663 2.929 0.962 10 HB2 MET 2 HB2 MET 2 -4.649 5.271 0.748 11 HB3 MET 2 HB1 MET 2 -4.731 3.751 -0.208 12 HG2 MET 2 HG2 MET 2 -5.045 2.430 1.879 13 HG3 MET 2 HG1 MET 2 -4.932 3.927 2.858 14 HE1 MET 2 HE1 MET 2 -7.131 1.919 3.244 15 HE2 MET 2 HE2 MET 2 -8.612 2.932 3.344 16 HE3 MET 2 HE3 MET 2 -7.083 3.498 4.102 17 H ARG 3 HN ARG 3 -1.951 2.896 -1.223 18 HA ARG 3 HA ARG 3 -0.844 5.443 -2.050 19 HB2 ARG 3 HB2 ARG 3 0.431 3.091 -2.083 20 HB3 ARG 3 HB1 ARG 3 -0.494 2.877 -3.607 21 HG2 ARG 3 HG2 ARG 3 0.551 5.497 -3.799 22 HG3 ARG 3 HG1 ARG 3 1.881 4.546 -3.048 23 HD2 ARG 3 HD2 ARG 3 0.367 3.539 -5.535 24 HD3 ARG 3 HD1 ARG 3 1.838 4.607 -5.652 25 HE ARG 3 HE ARG 3 2.496 2.458 -3.893 26 HH11 ARG 3 HH11 ARG 3 1.521 3.008 -7.274 27 HH12 ARG 3 HH12 ARG 3 2.376 1.642 -7.907 28 HH21 ARG 3 HH21 ARG 3 3.662 0.599 -4.752 29 HH22 ARG 3 HH22 ARG 3 3.614 0.248 -6.447 30 H ILE 4 HN ILE 4 -3.130 6.070 -2.202 31 HA ILE 4 HA ILE 4 -4.098 5.348 -4.862 32 HB ILE 4 HB ILE 4 -6.292 6.147 -4.044 33 HG12 ILE 4 HG12 ILE 4 -4.866 6.110 -1.324 34 HG13 ILE 4 HG11 ILE 4 -5.397 7.572 -2.227 35 HG21 ILE 4 HG21 ILE 4 -5.876 3.727 -4.172 36 HG22 ILE 4 HG22 ILE 4 -6.691 4.028 -2.590 37 HG23 ILE 4 HG23 ILE 4 -4.905 3.759 -2.650 38 HD11 ILE 4 HD11 ILE 4 -7.135 5.441 -0.865 39 HD12 ILE 4 HD12 ILE 4 -7.805 6.512 -2.154 40 HD13 ILE 4 HD13 ILE 4 -7.141 7.231 -0.638 41 H SER 5 HN SER 5 -2.897 7.664 -2.637 42 HA SER 5 HA SER 5 -3.754 9.772 -4.488 43 HB2 SER 5 HB2 SER 5 -3.191 10.009 -1.467 44 HB3 SER 5 HB1 SER 5 -3.526 11.408 -2.565 45 HG SER 5 HG SER 5 -5.423 9.679 -3.009 46 H ARG 6 HN ARG 6 -1.370 8.105 -4.869 47 HA ARG 6 HA ARG 6 0.389 10.316 -4.845 48 HB2 ARG 6 HB2 ARG 6 0.752 8.442 -2.838 49 HB3 ARG 6 HB1 ARG 6 1.832 7.826 -4.149 50 HG2 ARG 6 HG2 ARG 6 1.759 10.683 -3.053 51 HG3 ARG 6 HG1 ARG 6 3.021 9.454 -2.681 52 HD2 ARG 6 HD2 ARG 6 2.404 10.253 -5.603 53 HD3 ARG 6 HD1 ARG 6 3.530 11.250 -4.573 54 HE ARG 6 HE ARG 6 4.031 8.514 -5.612 55 HH11 ARG 6 HH11 ARG 6 4.882 11.060 -3.261 56 HH12 ARG 6 HH12 ARG 6 6.489 10.479 -2.986 57 HH21 ARG 6 HH21 ARG 6 6.215 7.730 -5.233 58 HH22 ARG 6 HH22 ARG 6 7.258 8.555 -4.126 59 H ILE 7 HN ILE 7 -1.180 9.364 -6.741 60 HA ILE 7 HA ILE 7 0.807 8.368 -8.572 61 HB ILE 7 HB ILE 7 -2.109 7.650 -8.901 62 HG12 ILE 7 HG12 ILE 7 -1.110 5.348 -7.798 63 HG13 ILE 7 HG11 ILE 7 -0.143 6.560 -6.886 64 HG21 ILE 7 HG21 ILE 7 -0.459 7.364 -10.791 65 HG22 ILE 7 HG22 ILE 7 -1.111 5.777 -10.229 66 HG23 ILE 7 HG23 ILE 7 0.549 6.295 -9.742 67 HD11 ILE 7 HD11 ILE 7 -2.356 7.758 -6.341 68 HD12 ILE 7 HD12 ILE 7 -2.103 6.155 -5.560 69 HD13 ILE 7 HD13 ILE 7 -3.204 6.301 -6.985 70 H ILE 8 HN ILE 8 -2.207 9.946 -7.762 71 HA ILE 8 HA ILE 8 -2.177 11.603 -10.057 72 HB ILE 8 HB ILE 8 -3.438 12.310 -7.382 73 HG12 ILE 8 HG12 ILE 8 -5.464 10.905 -8.361 74 HG13 ILE 8 HG11 ILE 8 -4.164 10.006 -9.219 75 HG21 ILE 8 HG21 ILE 8 -4.131 12.713 -10.371 76 HG22 ILE 8 HG22 ILE 8 -3.712 13.968 -9.143 77 HG23 ILE 8 HG23 ILE 8 -5.286 13.094 -9.038 78 HD11 ILE 8 HD11 ILE 8 -3.254 10.294 -6.490 79 HD12 ILE 8 HD12 ILE 8 -3.804 8.790 -7.324 80 HD13 ILE 8 HD13 ILE 8 -4.991 9.791 -6.403 81 H LEU 9 HN LEU 9 -1.148 11.700 -6.633 82 HA LEU 9 HA LEU 9 -0.167 14.272 -7.086 83 HB2 LEU 9 HB2 LEU 9 0.286 12.128 -5.034 84 HB3 LEU 9 HB1 LEU 9 1.296 13.608 -5.056 85 HG LEU 9 HG LEU 9 -0.620 13.811 -3.456 86 HD11 LEU 9 HD11 LEU 9 -1.658 15.920 -5.043 87 HD12 LEU 9 HD12 LEU 9 0.009 15.676 -5.693 88 HD13 LEU 9 HD13 LEU 9 -0.237 16.013 -3.934 89 HD21 LEU 9 HD21 LEU 9 -2.146 12.351 -5.054 90 HD22 LEU 9 HD22 LEU 9 -2.517 13.922 -5.869 91 HD23 LEU 9 HD23 LEU 9 -2.904 13.699 -4.116 92 H DAS 10 HN DAS 10 0.703 11.024 -7.587 93 HA DAS 10 HA DAS 10 2.503 10.115 -8.369 94 HB2 DAS 10 HB2 DAS 10 4.046 12.703 -8.358 95 HB3 DAS 10 HB1 DAS 10 3.694 11.871 -6.798 96 H PHE 11 HN PHE 11 0.789 12.674 -9.504 97 HA PHE 11 HA PHE 11 2.085 12.559 -12.150 98 HB2 PHE 11 HB2 PHE 11 -0.035 12.093 -13.047 99 HB3 PHE 11 HB1 PHE 11 -0.688 12.082 -11.351 100 HD1 PHE 11 HD1 PHE 11 0.187 14.385 -14.155 101 HD2 PHE 11 HD2 PHE 11 -1.984 13.668 -10.639 102 HE1 PHE 11 HE1 PHE 11 -0.785 16.597 -14.290 103 HE2 PHE 11 HE2 PHE 11 -2.871 15.807 -10.647 104 HZ PHE 11 HZ PHE 11 -2.380 17.365 -12.546 105 H LEU 12 HN LEU 12 0.779 14.333 -9.364 106 HA LEU 12 HA LEU 12 0.507 16.822 -10.547 107 HB2 LEU 12 HB2 LEU 12 0.758 15.620 -7.906 108 HB3 LEU 12 HB1 LEU 12 1.373 17.304 -7.924 109 HG LEU 12 HG LEU 12 -0.734 17.608 -7.298 110 HD11 LEU 12 HD11 LEU 12 -1.404 17.504 -10.270 111 HD12 LEU 12 HD12 LEU 12 -0.263 18.717 -9.587 112 HD13 LEU 12 HD13 LEU 12 -1.979 18.673 -9.024 113 HD21 LEU 12 HD21 LEU 12 -1.506 15.191 -8.949 114 HD22 LEU 12 HD22 LEU 12 -2.726 16.237 -8.135 115 HD23 LEU 12 HD23 LEU 12 -1.475 15.365 -7.160 116 H PHE 13 HN PHE 13 3.320 15.504 -8.743 117 HA PHE 13 HA PHE 13 4.630 17.995 -9.182 118 HB2 PHE 13 HB2 PHE 13 6.178 15.554 -8.254 119 HB3 PHE 13 HB1 PHE 13 6.288 17.273 -7.666 120 HD1 PHE 13 HD1 PHE 13 5.225 14.149 -6.904 121 HD2 PHE 13 HD2 PHE 13 3.987 18.184 -6.946 122 HE1 PHE 13 HE1 PHE 13 3.429 13.620 -5.421 123 HE2 PHE 13 HE2 PHE 13 2.203 17.663 -5.437 124 HZ PHE 13 HZ PHE 13 1.913 15.389 -4.664 125 H LEU 14 HN LEU 14 3.690 15.877 -11.196 126 HA LEU 14 HA LEU 14 6.212 15.679 -12.611 127 HB2 LEU 14 HB2 LEU 14 3.731 13.931 -12.788 128 HB3 LEU 14 HB1 LEU 14 5.203 13.725 -13.817 129 HG LEU 14 HG LEU 14 4.892 13.274 -10.784 130 HD11 LEU 14 HD11 LEU 14 4.430 11.460 -12.658 131 HD12 LEU 14 HD12 LEU 14 5.464 11.007 -11.250 132 HD13 LEU 14 HD13 LEU 14 6.223 11.403 -12.837 133 HD21 LEU 14 HD21 LEU 14 7.429 13.934 -12.353 134 HD22 LEU 14 HD22 LEU 14 7.517 12.640 -11.100 135 HD23 LEU 14 HD23 LEU 14 6.984 14.300 -10.642 136 H ARG 15 HN ARG 15 3.207 17.320 -12.577 137 HA ARG 15 HA ARG 15 2.722 17.111 -15.367 138 HB2 ARG 15 HB2 ARG 15 1.107 18.911 -15.095 139 HB3 ARG 15 HB1 ARG 15 0.851 17.571 -13.913 140 HG2 ARG 15 HG2 ARG 15 2.477 19.176 -12.426 141 HG3 ARG 15 HG1 ARG 15 1.723 20.416 -13.484 142 HD2 ARG 15 HD2 ARG 15 0.112 18.307 -11.951 143 HD3 ARG 15 HD1 ARG 15 0.447 19.978 -11.309 144 HE ARG 15 HE ARG 15 -1.411 19.249 -13.504 145 HH11 ARG 15 HH11 ARG 15 0.555 21.785 -11.947 146 HH12 ARG 15 HH12 ARG 15 -0.371 23.103 -12.583 147 HH21 ARG 15 HH21 ARG 15 -2.664 21.042 -14.363 148 HH22 ARG 15 HH22 ARG 15 -2.231 22.673 -13.976 149 H LYS 16 HN LYS 16 4.574 19.132 -13.227 150 HA LYS 16 HA LYS 16 6.065 20.343 -15.112 151 HB2 LYS 16 HB2 LYS 16 5.008 22.490 -15.603 152 HB3 LYS 16 HB1 LYS 16 3.799 21.210 -15.977 153 HG2 LYS 16 HG2 LYS 16 2.393 22.486 -14.766 154 HG3 LYS 16 HG1 LYS 16 3.158 21.662 -13.371 155 HD2 LYS 16 HD2 LYS 16 4.739 23.553 -13.073 156 HD3 LYS 16 HD1 LYS 16 4.084 24.362 -14.537 157 HE2 LYS 16 HE2 LYS 16 1.839 24.580 -13.414 158 HE3 LYS 16 HE1 LYS 16 2.513 23.778 -11.934 159 HZ1 LYS 16 HZ1 LYS 16 3.062 25.802 -11.328 160 HZ2 LYS 16 HZ2 LYS 16 2.785 26.469 -12.865 161 HZ3 LYS 16 HZ3 LYS 16 4.286 25.763 -12.504 162 H LYS 17 HN LYS 17 4.193 20.350 -12.165 163 HA LYS 17 HA LYS 17 5.505 22.327 -10.757 164 HB2 LYS 17 HB2 LYS 17 4.130 19.709 -9.944 165 HB3 LYS 17 HB1 LYS 17 4.782 20.875 -8.721 166 HG2 LYS 17 HG2 LYS 17 3.318 22.678 -9.687 167 HG3 LYS 17 HG1 LYS 17 2.661 21.495 -10.871 168 HD2 LYS 17 HD2 LYS 17 1.791 20.094 -8.994 169 HD3 LYS 17 HD1 LYS 17 2.468 21.258 -7.804 170 HE2 LYS 17 HE2 LYS 17 0.963 23.061 -8.698 171 HE3 LYS 17 HE1 LYS 17 0.284 21.889 -9.904 172 HZ1 LYS 17 HZ1 LYS 17 -0.525 20.553 -8.128 173 HZ2 LYS 17 HZ2 LYS 17 -1.052 22.150 -7.894 174 HZ3 LYS 17 HZ3 LYS 17 0.218 21.528 -6.953 Start of MODEL 12 1 H1 ALA 1 HT1 ALA 1 -3.801 4.881 4.346 2 H2 ALA 1 HT2 ALA 1 -2.956 4.954 5.818 3 H3 ALA 1 HT3 ALA 1 -3.562 3.469 5.260 4 HA ALA 1 HA ALA 1 -1.406 5.081 4.058 5 HB1 ALA 1 HB1 ALA 1 -1.431 2.287 5.361 6 HB2 ALA 1 HB2 ALA 1 -0.698 3.775 6.072 7 HB3 ALA 1 HB3 ALA 1 0.011 3.045 4.582 8 H MET 2 HN MET 2 -2.894 5.119 2.071 9 HA MET 2 HA MET 2 -2.530 2.572 0.651 10 HB2 MET 2 HB2 MET 2 -4.841 4.580 0.336 11 HB3 MET 2 HB1 MET 2 -4.582 3.123 -0.687 12 HG2 MET 2 HG2 MET 2 -4.879 1.649 1.298 13 HG3 MET 2 HG1 MET 2 -5.105 3.085 2.346 14 HE1 MET 2 HE1 MET 2 -8.608 1.515 2.411 15 HE2 MET 2 HE2 MET 2 -7.262 2.261 3.340 16 HE3 MET 2 HE3 MET 2 -6.985 0.742 2.419 17 H ARG 3 HN ARG 3 -1.594 2.796 -1.432 18 HA ARG 3 HA ARG 3 -0.863 5.540 -2.014 19 HB2 ARG 3 HB2 ARG 3 0.774 3.406 -2.061 20 HB3 ARG 3 HB1 ARG 3 0.067 3.221 -3.701 21 HG2 ARG 3 HG2 ARG 3 0.653 5.936 -3.648 22 HG3 ARG 3 HG1 ARG 3 1.984 5.257 -2.648 23 HD2 ARG 3 HD2 ARG 3 2.609 3.693 -4.485 24 HD3 ARG 3 HD1 ARG 3 1.215 4.299 -5.484 25 HE ARG 3 HE ARG 3 2.889 6.518 -4.636 26 HH11 ARG 3 HH11 ARG 3 2.745 3.714 -6.827 27 HH12 ARG 3 HH12 ARG 3 3.746 4.423 -8.050 28 HH21 ARG 3 HH21 ARG 3 4.243 7.487 -6.301 29 HH22 ARG 3 HH22 ARG 3 4.613 6.607 -7.745 30 H ILE 4 HN ILE 4 -3.188 5.824 -2.377 31 HA ILE 4 HA ILE 4 -3.761 5.134 -5.160 32 HB ILE 4 HB ILE 4 -6.124 5.562 -4.543 33 HG12 ILE 4 HG12 ILE 4 -4.979 5.527 -1.693 34 HG13 ILE 4 HG11 ILE 4 -5.628 6.963 -2.560 35 HG21 ILE 4 HG21 ILE 4 -6.334 3.307 -3.255 36 HG22 ILE 4 HG22 ILE 4 -4.530 3.301 -3.155 37 HG23 ILE 4 HG23 ILE 4 -5.347 3.242 -4.765 38 HD11 ILE 4 HD11 ILE 4 -7.153 4.526 -1.495 39 HD12 ILE 4 HD12 ILE 4 -7.845 5.546 -2.814 40 HD13 ILE 4 HD13 ILE 4 -7.460 6.281 -1.210 41 H SER 5 HN SER 5 -3.199 7.470 -2.698 42 HA SER 5 HA SER 5 -4.137 9.531 -4.559 43 HB2 SER 5 HB2 SER 5 -4.050 9.664 -1.486 44 HB3 SER 5 HB1 SER 5 -4.454 11.058 -2.566 45 HG SER 5 HG SER 5 -5.960 9.086 -3.354 46 H ARG 6 HN ARG 6 -1.493 8.278 -4.664 47 HA ARG 6 HA ARG 6 -0.072 10.694 -4.112 48 HB2 ARG 6 HB2 ARG 6 0.539 9.394 -2.158 49 HB3 ARG 6 HB1 ARG 6 0.691 7.902 -3.143 50 HG2 ARG 6 HG2 ARG 6 2.885 9.022 -2.393 51 HG3 ARG 6 HG1 ARG 6 2.736 8.611 -4.134 52 HD2 ARG 6 HD2 ARG 6 3.701 10.899 -3.903 53 HD3 ARG 6 HD1 ARG 6 2.024 11.016 -4.606 54 HE ARG 6 HE ARG 6 1.283 12.022 -2.578 55 HH11 ARG 6 HH11 ARG 6 4.584 10.713 -2.244 56 HH12 ARG 6 HH12 ARG 6 4.896 11.479 -0.723 57 HH21 ARG 6 HH21 ARG 6 1.712 13.060 -0.511 58 HH22 ARG 6 HH22 ARG 6 3.237 12.834 0.278 59 H ILE 7 HN ILE 7 -1.410 9.222 -6.332 60 HA ILE 7 HA ILE 7 0.978 9.057 -7.987 61 HB ILE 7 HB ILE 7 -1.629 7.737 -8.700 62 HG12 ILE 7 HG12 ILE 7 -0.292 5.643 -7.599 63 HG13 ILE 7 HG11 ILE 7 0.395 6.961 -6.580 64 HG21 ILE 7 HG21 ILE 7 1.367 7.323 -9.360 65 HG22 ILE 7 HG22 ILE 7 0.050 7.846 -10.478 66 HG23 ILE 7 HG23 ILE 7 0.082 6.155 -9.849 67 HD11 ILE 7 HD11 ILE 7 -2.365 7.529 -6.585 68 HD12 ILE 7 HD12 ILE 7 -1.430 6.742 -5.263 69 HD13 ILE 7 HD13 ILE 7 -2.299 5.729 -6.482 70 H ILE 8 HN ILE 8 -1.662 10.670 -6.983 71 HA ILE 8 HA ILE 8 -1.998 12.004 -9.533 72 HB ILE 8 HB ILE 8 -3.752 12.262 -7.073 73 HG12 ILE 8 HG12 ILE 8 -5.232 10.602 -8.624 74 HG13 ILE 8 HG11 ILE 8 -3.589 10.068 -9.127 75 HG21 ILE 8 HG21 ILE 8 -4.325 14.010 -8.567 76 HG22 ILE 8 HG22 ILE 8 -5.425 12.711 -9.166 77 HG23 ILE 8 HG23 ILE 8 -3.881 13.055 -10.032 78 HD11 ILE 8 HD11 ILE 8 -3.205 10.098 -6.404 79 HD12 ILE 8 HD12 ILE 8 -3.824 8.659 -7.300 80 HD13 ILE 8 HD13 ILE 8 -4.981 9.749 -6.450 81 H LEU 9 HN LEU 9 -0.246 11.775 -7.086 82 HA LEU 9 HA LEU 9 0.210 14.616 -6.847 83 HB2 LEU 9 HB2 LEU 9 0.572 12.260 -4.969 84 HB3 LEU 9 HB1 LEU 9 1.698 13.649 -4.864 85 HG LEU 9 HG LEU 9 -0.263 13.655 -3.226 86 HD11 LEU 9 HD11 LEU 9 0.769 15.837 -4.967 87 HD12 LEU 9 HD12 LEU 9 0.568 15.778 -3.171 88 HD13 LEU 9 HD13 LEU 9 -0.832 16.217 -4.222 89 HD21 LEU 9 HD21 LEU 9 -1.913 12.841 -5.052 90 HD22 LEU 9 HD22 LEU 9 -1.923 14.542 -5.662 91 HD23 LEU 9 HD23 LEU 9 -2.490 14.180 -3.984 92 H DAS 10 HN DAS 10 0.968 11.323 -7.284 93 HA DAS 10 HA DAS 10 2.722 10.285 -8.022 94 HB2 DAS 10 HB2 DAS 10 4.348 12.827 -8.324 95 HB3 DAS 10 HB1 DAS 10 4.129 12.080 -6.695 96 H PHE 11 HN PHE 11 1.191 12.964 -9.232 97 HA PHE 11 HA PHE 11 2.221 12.490 -11.932 98 HB2 PHE 11 HB2 PHE 11 0.052 12.020 -12.647 99 HB3 PHE 11 HB1 PHE 11 -0.465 12.131 -10.912 100 HD1 PHE 11 HD1 PHE 11 -0.053 14.049 -14.033 101 HD2 PHE 11 HD2 PHE 11 -1.361 13.925 -10.052 102 HE1 PHE 11 HE1 PHE 11 -1.060 16.236 -14.302 103 HE2 PHE 11 HE2 PHE 11 -2.376 16.035 -10.241 104 HZ PHE 11 HZ PHE 11 -2.302 17.267 -12.414 105 H LEU 12 HN LEU 12 1.192 14.465 -9.236 106 HA LEU 12 HA LEU 12 0.891 16.856 -10.615 107 HB2 LEU 12 HB2 LEU 12 1.649 16.040 -7.848 108 HB3 LEU 12 HB1 LEU 12 1.570 17.787 -8.277 109 HG LEU 12 HG LEU 12 -0.586 15.736 -8.511 110 HD11 LEU 12 HD11 LEU 12 -0.971 16.033 -6.371 111 HD12 LEU 12 HD12 LEU 12 -1.134 17.820 -6.600 112 HD13 LEU 12 HD13 LEU 12 0.491 17.079 -6.288 113 HD21 LEU 12 HD21 LEU 12 -0.640 18.776 -8.913 114 HD22 LEU 12 HD22 LEU 12 -2.075 17.684 -8.993 115 HD23 LEU 12 HD23 LEU 12 -0.749 17.534 -10.212 116 H PHE 13 HN PHE 13 3.767 15.460 -8.984 117 HA PHE 13 HA PHE 13 5.087 17.928 -9.527 118 HB2 PHE 13 HB2 PHE 13 6.653 15.479 -8.639 119 HB3 PHE 13 HB1 PHE 13 6.812 17.204 -8.084 120 HD1 PHE 13 HD1 PHE 13 5.997 14.190 -6.981 121 HD2 PHE 13 HD2 PHE 13 4.331 18.045 -7.450 122 HE1 PHE 13 HE1 PHE 13 4.290 13.668 -5.372 123 HE2 PHE 13 HE2 PHE 13 2.635 17.521 -5.858 124 HZ PHE 13 HZ PHE 13 2.611 15.352 -4.814 125 H LEU 14 HN LEU 14 3.917 15.828 -11.381 126 HA LEU 14 HA LEU 14 6.256 15.491 -13.048 127 HB2 LEU 14 HB2 LEU 14 3.750 13.772 -12.898 128 HB3 LEU 14 HB1 LEU 14 5.163 13.462 -13.980 129 HG LEU 14 HG LEU 14 5.054 13.314 -10.897 130 HD11 LEU 14 HD11 LEU 14 5.424 10.972 -11.153 131 HD12 LEU 14 HD12 LEU 14 6.029 11.135 -12.844 132 HD13 LEU 14 HD13 LEU 14 4.274 11.355 -12.491 133 HD21 LEU 14 HD21 LEU 14 7.597 12.412 -11.471 134 HD22 LEU 14 HD22 LEU 14 7.225 14.110 -10.995 135 HD23 LEU 14 HD23 LEU 14 7.443 13.689 -12.736 136 H ARG 15 HN ARG 15 3.292 17.178 -12.733 137 HA ARG 15 HA ARG 15 2.559 16.846 -15.499 138 HB2 ARG 15 HB2 ARG 15 0.873 18.649 -14.998 139 HB3 ARG 15 HB1 ARG 15 0.679 17.080 -14.134 140 HG2 ARG 15 HG2 ARG 15 1.000 18.016 -12.096 141 HG3 ARG 15 HG1 ARG 15 2.376 19.020 -12.660 142 HD2 ARG 15 HD2 ARG 15 0.864 20.728 -12.266 143 HD3 ARG 15 HD1 ARG 15 0.327 20.290 -13.953 144 HE ARG 15 HE ARG 15 -1.082 18.612 -12.103 145 HH11 ARG 15 HH11 ARG 15 -0.757 22.026 -13.061 146 HH12 ARG 15 HH12 ARG 15 -2.385 22.457 -12.659 147 HH21 ARG 15 HH21 ARG 15 -3.301 19.198 -11.553 148 HH22 ARG 15 HH22 ARG 15 -3.856 20.821 -11.787 149 H LYS 16 HN LYS 16 4.334 19.040 -13.438 150 HA LYS 16 HA LYS 16 5.592 20.349 -15.435 151 HB2 LYS 16 HB2 LYS 16 4.345 22.437 -15.796 152 HB3 LYS 16 HB1 LYS 16 3.257 21.055 -16.179 153 HG2 LYS 16 HG2 LYS 16 1.776 22.161 -14.881 154 HG3 LYS 16 HG1 LYS 16 2.651 21.348 -13.543 155 HD2 LYS 16 HD2 LYS 16 2.816 23.487 -12.713 156 HD3 LYS 16 HD1 LYS 16 4.225 23.583 -13.826 157 HE2 LYS 16 HE2 LYS 16 2.793 24.642 -15.583 158 HE3 LYS 16 HE1 LYS 16 1.346 24.505 -14.499 159 HZ1 LYS 16 HZ1 LYS 16 2.854 26.641 -14.626 160 HZ2 LYS 16 HZ2 LYS 16 3.727 25.817 -13.425 161 HZ3 LYS 16 HZ3 LYS 16 2.079 26.155 -13.196 162 H LYS 17 HN LYS 17 3.928 20.287 -12.356 163 HA LYS 17 HA LYS 17 5.249 22.377 -11.102 164 HB2 LYS 17 HB2 LYS 17 4.016 19.752 -10.116 165 HB3 LYS 17 HB1 LYS 17 4.694 20.985 -8.979 166 HG2 LYS 17 HG2 LYS 17 3.112 22.698 -9.915 167 HG3 LYS 17 HG1 LYS 17 2.430 21.453 -11.019 168 HD2 LYS 17 HD2 LYS 17 1.720 20.092 -9.047 169 HD3 LYS 17 HD1 LYS 17 2.416 21.325 -7.940 170 HE2 LYS 17 HE2 LYS 17 0.799 23.038 -8.820 171 HE3 LYS 17 HE1 LYS 17 0.101 21.795 -9.942 172 HZ1 LYS 17 HZ1 LYS 17 0.180 20.740 -7.348 173 HZ2 LYS 17 HZ2 LYS 17 -1.163 21.121 -8.313 174 HZ3 LYS 17 HZ3 LYS 17 -0.512 22.288 -7.265 Start of MODEL 13 1 H1 ALA 1 HT1 ALA 1 -0.862 6.508 4.151 2 H2 ALA 1 HT2 ALA 1 -0.211 5.536 2.918 3 H3 ALA 1 HT3 ALA 1 0.488 5.526 4.467 4 HA ALA 1 HA ALA 1 -0.733 3.794 4.934 5 HB1 ALA 1 HB1 ALA 1 -2.124 5.508 6.093 6 HB2 ALA 1 HB2 ALA 1 -3.193 4.218 5.424 7 HB3 ALA 1 HB3 ALA 1 -3.044 5.801 4.570 8 H MET 2 HN MET 2 -2.405 5.542 2.216 9 HA MET 2 HA MET 2 -2.670 2.904 0.949 10 HB2 MET 2 HB2 MET 2 -4.655 5.255 0.863 11 HB3 MET 2 HB1 MET 2 -4.754 3.800 -0.189 12 HG2 MET 2 HG2 MET 2 -5.061 2.339 1.783 13 HG3 MET 2 HG1 MET 2 -4.854 3.734 2.887 14 HE1 MET 2 HE1 MET 2 -6.725 1.859 0.310 15 HE2 MET 2 HE2 MET 2 -6.997 3.380 -0.607 16 HE3 MET 2 HE3 MET 2 -8.381 2.548 0.180 17 H ARG 3 HN ARG 3 -1.982 2.874 -1.243 18 HA ARG 3 HA ARG 3 -0.907 5.431 -2.084 19 HB2 ARG 3 HB2 ARG 3 0.337 3.034 -2.182 20 HB3 ARG 3 HB1 ARG 3 -0.560 2.938 -3.735 21 HG2 ARG 3 HG2 ARG 3 0.501 5.529 -3.797 22 HG3 ARG 3 HG1 ARG 3 1.800 4.587 -2.985 23 HD2 ARG 3 HD2 ARG 3 1.817 2.946 -4.884 24 HD3 ARG 3 HD1 ARG 3 0.481 3.876 -5.690 25 HE ARG 3 HE ARG 3 2.033 5.612 -6.217 26 HH11 ARG 3 HH11 ARG 3 3.475 3.125 -4.104 27 HH12 ARG 3 HH12 ARG 3 5.103 3.675 -4.316 28 HH21 ARG 3 HH21 ARG 3 4.241 6.355 -6.499 29 HH22 ARG 3 HH22 ARG 3 5.546 5.542 -5.700 30 H ILE 4 HN ILE 4 -3.181 6.079 -2.207 31 HA ILE 4 HA ILE 4 -4.182 5.368 -4.860 32 HB ILE 4 HB ILE 4 -6.359 6.196 -4.018 33 HG12 ILE 4 HG12 ILE 4 -4.914 6.109 -1.310 34 HG13 ILE 4 HG11 ILE 4 -5.421 7.591 -2.196 35 HG21 ILE 4 HG21 ILE 4 -5.032 3.793 -2.582 36 HG22 ILE 4 HG22 ILE 4 -5.885 3.759 -4.173 37 HG23 ILE 4 HG23 ILE 4 -6.816 4.067 -2.658 38 HD11 ILE 4 HD11 ILE 4 -7.047 5.739 -0.508 39 HD12 ILE 4 HD12 ILE 4 -7.817 6.134 -2.091 40 HD13 ILE 4 HD13 ILE 4 -7.341 7.460 -0.963 41 H SER 5 HN SER 5 -2.955 7.674 -2.631 42 HA SER 5 HA SER 5 -3.777 9.785 -4.497 43 HB2 SER 5 HB2 SER 5 -3.287 10.021 -1.464 44 HB3 SER 5 HB1 SER 5 -3.585 11.421 -2.571 45 HG SER 5 HG SER 5 -5.476 9.684 -3.053 46 H ARG 6 HN ARG 6 -1.369 8.108 -4.827 47 HA ARG 6 HA ARG 6 0.385 10.333 -4.739 48 HB2 ARG 6 HB2 ARG 6 1.033 9.194 -2.653 49 HB3 ARG 6 HB1 ARG 6 1.087 7.619 -3.521 50 HG2 ARG 6 HG2 ARG 6 3.344 8.863 -3.078 51 HG3 ARG 6 HG1 ARG 6 3.042 8.168 -4.704 52 HD2 ARG 6 HD2 ARG 6 4.000 10.453 -4.954 53 HD3 ARG 6 HD1 ARG 6 2.263 10.471 -5.506 54 HE ARG 6 HE ARG 6 1.709 11.788 -3.595 55 HH11 ARG 6 HH11 ARG 6 5.056 10.567 -3.413 56 HH12 ARG 6 HH12 ARG 6 5.513 11.581 -2.086 57 HH21 ARG 6 HH21 ARG 6 2.336 13.161 -1.792 58 HH22 ARG 6 HH22 ARG 6 3.942 13.078 -1.151 59 H ILE 7 HN ILE 7 -1.155 9.431 -6.685 60 HA ILE 7 HA ILE 7 0.835 8.392 -8.490 61 HB ILE 7 HB ILE 7 -2.072 7.651 -8.858 62 HG12 ILE 7 HG12 ILE 7 -1.097 5.360 -7.728 63 HG13 ILE 7 HG11 ILE 7 -0.130 6.567 -6.810 64 HG21 ILE 7 HG21 ILE 7 -0.374 7.368 -10.709 65 HG22 ILE 7 HG22 ILE 7 -1.043 5.784 -10.161 66 HG23 ILE 7 HG23 ILE 7 0.606 6.298 -9.636 67 HD11 ILE 7 HD11 ILE 7 -3.189 6.320 -6.934 68 HD12 ILE 7 HD12 ILE 7 -2.346 7.785 -6.300 69 HD13 ILE 7 HD13 ILE 7 -2.102 6.190 -5.500 70 H ILE 8 HN ILE 8 -2.212 9.944 -7.746 71 HA ILE 8 HA ILE 8 -2.162 11.579 -10.056 72 HB ILE 8 HB ILE 8 -3.431 12.323 -7.394 73 HG12 ILE 8 HG12 ILE 8 -5.456 10.907 -8.363 74 HG13 ILE 8 HG11 ILE 8 -4.152 9.994 -9.202 75 HG21 ILE 8 HG21 ILE 8 -3.699 13.958 -9.178 76 HG22 ILE 8 HG22 ILE 8 -5.274 13.086 -9.067 77 HG23 ILE 8 HG23 ILE 8 -4.114 12.688 -10.390 78 HD11 ILE 8 HD11 ILE 8 -3.810 8.803 -7.286 79 HD12 ILE 8 HD12 ILE 8 -4.991 9.827 -6.382 80 HD13 ILE 8 HD13 ILE 8 -3.249 10.316 -6.476 81 H LEU 9 HN LEU 9 -1.135 11.704 -6.637 82 HA LEU 9 HA LEU 9 -0.155 14.272 -7.105 83 HB2 LEU 9 HB2 LEU 9 0.295 12.141 -5.039 84 HB3 LEU 9 HB1 LEU 9 1.305 13.622 -5.068 85 HG LEU 9 HG LEU 9 -0.613 13.835 -3.472 86 HD11 LEU 9 HD11 LEU 9 -1.661 15.924 -5.080 87 HD12 LEU 9 HD12 LEU 9 0.010 15.684 -5.722 88 HD13 LEU 9 HD13 LEU 9 -0.244 16.036 -3.966 89 HD21 LEU 9 HD21 LEU 9 -2.133 12.355 -5.057 90 HD22 LEU 9 HD22 LEU 9 -2.514 13.919 -5.881 91 HD23 LEU 9 HD23 LEU 9 -2.896 13.704 -4.125 92 H DAS 10 HN DAS 10 0.728 11.016 -7.594 93 HA DAS 10 HA DAS 10 2.532 10.119 -8.364 94 HB2 DAS 10 HB2 DAS 10 4.073 12.706 -8.360 95 HB3 DAS 10 HB1 DAS 10 3.697 11.901 -6.792 96 H PHE 11 HN PHE 11 0.807 12.664 -9.511 97 HA PHE 11 HA PHE 11 2.112 12.545 -12.152 98 HB2 PHE 11 HB2 PHE 11 -0.003 12.067 -13.053 99 HB3 PHE 11 HB1 PHE 11 -0.662 12.061 -11.360 100 HD1 PHE 11 HD1 PHE 11 0.219 14.358 -14.169 101 HD2 PHE 11 HD2 PHE 11 -1.967 13.643 -10.662 102 HE1 PHE 11 HE1 PHE 11 -0.756 16.568 -14.313 103 HE2 PHE 11 HE2 PHE 11 -2.860 15.781 -10.679 104 HZ PHE 11 HZ PHE 11 -2.363 17.336 -12.579 105 H LEU 12 HN LEU 12 0.791 14.323 -9.379 106 HA LEU 12 HA LEU 12 0.506 16.804 -10.569 107 HB2 LEU 12 HB2 LEU 12 0.761 15.615 -7.924 108 HB3 LEU 12 HB1 LEU 12 1.371 17.302 -7.947 109 HG LEU 12 HG LEU 12 -0.739 17.598 -7.325 110 HD11 LEU 12 HD11 LEU 12 -1.941 18.696 -9.034 111 HD12 LEU 12 HD12 LEU 12 -1.448 17.488 -10.280 112 HD13 LEU 12 HD13 LEU 12 -0.244 18.669 -9.650 113 HD21 LEU 12 HD21 LEU 12 -1.503 15.180 -8.979 114 HD22 LEU 12 HD22 LEU 12 -2.725 16.222 -8.163 115 HD23 LEU 12 HD23 LEU 12 -1.473 15.350 -7.189 116 H PHE 13 HN PHE 13 3.327 15.516 -8.753 117 HA PHE 13 HA PHE 13 4.616 18.018 -9.208 118 HB2 PHE 13 HB2 PHE 13 6.185 15.598 -8.260 119 HB3 PHE 13 HB1 PHE 13 6.274 17.323 -7.682 120 HD1 PHE 13 HD1 PHE 13 5.235 14.187 -6.915 121 HD2 PHE 13 HD2 PHE 13 3.970 18.213 -6.965 122 HE1 PHE 13 HE1 PHE 13 3.440 13.647 -5.432 123 HE2 PHE 13 HE2 PHE 13 2.187 17.684 -5.458 124 HZ PHE 13 HZ PHE 13 1.912 15.408 -4.682 125 H LEU 14 HN LEU 14 3.703 15.865 -11.206 126 HA LEU 14 HA LEU 14 6.231 15.674 -12.608 127 HB2 LEU 14 HB2 LEU 14 3.751 13.925 -12.796 128 HB3 LEU 14 HB1 LEU 14 5.226 13.718 -13.819 129 HG LEU 14 HG LEU 14 4.903 13.268 -10.788 130 HD11 LEU 14 HD11 LEU 14 4.459 11.450 -12.660 131 HD12 LEU 14 HD12 LEU 14 5.496 11.004 -11.251 132 HD13 LEU 14 HD13 LEU 14 6.253 11.406 -12.838 133 HD21 LEU 14 HD21 LEU 14 6.987 14.317 -10.644 134 HD22 LEU 14 HD22 LEU 14 7.452 13.924 -12.343 135 HD23 LEU 14 HD23 LEU 14 7.527 12.651 -11.068 136 H ARG 15 HN ARG 15 3.202 17.290 -12.602 137 HA ARG 15 HA ARG 15 2.753 17.094 -15.392 138 HB2 ARG 15 HB2 ARG 15 1.144 18.897 -15.148 139 HB3 ARG 15 HB1 ARG 15 0.872 17.572 -13.952 140 HG2 ARG 15 HG2 ARG 15 2.424 19.134 -12.413 141 HG3 ARG 15 HG1 ARG 15 1.853 20.404 -13.545 142 HD2 ARG 15 HD2 ARG 15 -0.108 18.464 -12.232 143 HD3 ARG 15 HD1 ARG 15 0.417 20.001 -11.405 144 HE ARG 15 HE ARG 15 -0.389 20.578 -14.129 145 HH11 ARG 15 HH11 ARG 15 -1.669 19.617 -10.947 146 HH12 ARG 15 HH12 ARG 15 -3.227 20.334 -11.188 147 HH21 ARG 15 HH21 ARG 15 -2.503 21.552 -14.453 148 HH22 ARG 15 HH22 ARG 15 -3.709 21.452 -13.215 149 H LYS 16 HN LYS 16 4.583 19.123 -13.231 150 HA LYS 16 HA LYS 16 6.117 20.317 -15.088 151 HB2 LYS 16 HB2 LYS 16 5.074 22.442 -15.659 152 HB3 LYS 16 HB1 LYS 16 3.856 21.167 -16.012 153 HG2 LYS 16 HG2 LYS 16 2.447 22.473 -14.850 154 HG3 LYS 16 HG1 LYS 16 3.200 21.703 -13.421 155 HD2 LYS 16 HD2 LYS 16 4.793 23.602 -13.195 156 HD3 LYS 16 HD1 LYS 16 4.129 24.359 -14.682 157 HE2 LYS 16 HE2 LYS 16 1.887 24.606 -13.554 158 HE3 LYS 16 HE1 LYS 16 2.577 23.865 -12.050 159 HZ1 LYS 16 HZ1 LYS 16 2.852 26.518 -13.109 160 HZ2 LYS 16 HZ2 LYS 16 4.342 25.823 -12.682 161 HZ3 LYS 16 HZ3 LYS 16 3.092 25.927 -11.536 162 H LYS 17 HN LYS 17 4.184 20.346 -12.190 163 HA LYS 17 HA LYS 17 5.371 22.383 -10.786 164 HB2 LYS 17 HB2 LYS 17 4.024 19.748 -10.051 165 HB3 LYS 17 HB1 LYS 17 4.735 20.800 -8.760 166 HG2 LYS 17 HG2 LYS 17 3.309 22.683 -9.406 167 HG3 LYS 17 HG1 LYS 17 2.723 21.802 -10.862 168 HD2 LYS 17 HD2 LYS 17 0.984 21.661 -9.198 169 HD3 LYS 17 HD1 LYS 17 1.745 20.039 -9.310 170 HE2 LYS 17 HE2 LYS 17 1.375 20.564 -6.933 171 HE3 LYS 17 HE1 LYS 17 3.158 20.643 -7.247 172 HZ1 LYS 17 HZ1 LYS 17 3.148 22.722 -6.615 173 HZ2 LYS 17 HZ2 LYS 17 1.504 22.603 -6.208 174 HZ3 LYS 17 HZ3 LYS 17 1.960 23.151 -7.749 Start of MODEL 14 1 H1 ALA 1 HT1 ALA 1 -1.052 6.118 4.056 2 H2 ALA 1 HT2 ALA 1 -0.316 5.231 2.808 3 H3 ALA 1 HT3 ALA 1 0.324 5.177 4.381 4 HA ALA 1 HA ALA 1 -0.851 3.393 4.747 5 HB1 ALA 1 HB1 ALA 1 -3.356 3.687 5.089 6 HB2 ALA 1 HB2 ALA 1 -3.228 5.303 4.296 7 HB3 ALA 1 HB3 ALA 1 -2.393 4.999 5.865 8 H MET 2 HN MET 2 -2.464 5.135 1.989 9 HA MET 2 HA MET 2 -2.480 2.536 0.622 10 HB2 MET 2 HB2 MET 2 -4.644 4.724 0.552 11 HB3 MET 2 HB1 MET 2 -4.577 3.333 -0.585 12 HG2 MET 2 HG2 MET 2 -4.693 1.773 1.433 13 HG3 MET 2 HG1 MET 2 -4.971 3.213 2.461 14 HE1 MET 2 HE1 MET 2 -8.342 4.576 1.744 15 HE2 MET 2 HE2 MET 2 -6.892 5.161 0.859 16 HE3 MET 2 HE3 MET 2 -6.749 4.644 2.574 17 H ARG 3 HN ARG 3 -1.715 2.637 -1.535 18 HA ARG 3 HA ARG 3 -0.819 5.304 -2.265 19 HB2 ARG 3 HB2 ARG 3 0.839 3.330 -2.257 20 HB3 ARG 3 HB1 ARG 3 -0.119 2.669 -3.625 21 HG2 ARG 3 HG2 ARG 3 1.549 3.822 -4.772 22 HG3 ARG 3 HG1 ARG 3 0.242 5.057 -4.690 23 HD2 ARG 3 HD2 ARG 3 1.348 6.235 -2.849 24 HD3 ARG 3 HD1 ARG 3 2.580 4.905 -2.669 25 HE ARG 3 HE ARG 3 2.553 5.982 -5.386 26 HH11 ARG 3 HH11 ARG 3 3.617 6.540 -2.033 27 HH12 ARG 3 HH12 ARG 3 4.960 7.544 -2.463 28 HH21 ARG 3 HH21 ARG 3 4.375 7.351 -5.973 29 HH22 ARG 3 HH22 ARG 3 5.397 8.015 -4.743 30 H ILE 4 HN ILE 4 -3.144 5.697 -2.577 31 HA ILE 4 HA ILE 4 -3.773 4.982 -5.341 32 HB ILE 4 HB ILE 4 -6.141 5.267 -4.670 33 HG12 ILE 4 HG12 ILE 4 -4.950 5.146 -1.844 34 HG13 ILE 4 HG11 ILE 4 -5.645 6.604 -2.633 35 HG21 ILE 4 HG21 ILE 4 -4.448 3.029 -3.363 36 HG22 ILE 4 HG22 ILE 4 -5.204 3.001 -5.003 37 HG23 ILE 4 HG23 ILE 4 -6.245 2.951 -3.530 38 HD11 ILE 4 HD11 ILE 4 -7.079 4.115 -1.596 39 HD12 ILE 4 HD12 ILE 4 -7.812 5.062 -2.946 40 HD13 ILE 4 HD13 ILE 4 -7.479 5.859 -1.362 41 H SER 5 HN SER 5 -3.152 7.282 -2.907 42 HA SER 5 HA SER 5 -4.308 9.319 -4.660 43 HB2 SER 5 HB2 SER 5 -4.402 9.324 -1.586 44 HB3 SER 5 HB1 SER 5 -4.850 10.736 -2.626 45 HG SER 5 HG SER 5 -6.133 8.665 -3.583 46 H ARG 6 HN ARG 6 -1.521 8.301 -4.584 47 HA ARG 6 HA ARG 6 -0.419 10.869 -3.995 48 HB2 ARG 6 HB2 ARG 6 0.155 9.649 -1.958 49 HB3 ARG 6 HB1 ARG 6 0.618 8.202 -2.917 50 HG2 ARG 6 HG2 ARG 6 2.534 9.668 -1.979 51 HG3 ARG 6 HG1 ARG 6 2.613 9.196 -3.710 52 HD2 ARG 6 HD2 ARG 6 3.196 11.615 -3.464 53 HD3 ARG 6 HD1 ARG 6 1.611 11.445 -4.347 54 HE ARG 6 HE ARG 6 0.498 12.368 -2.454 55 HH11 ARG 6 HH11 ARG 6 3.909 11.629 -1.719 56 HH12 ARG 6 HH12 ARG 6 3.922 12.468 -0.204 57 HH21 ARG 6 HH21 ARG 6 0.520 13.502 -0.396 58 HH22 ARG 6 HH22 ARG 6 1.962 13.549 0.560 59 H ILE 7 HN ILE 7 -1.424 9.222 -6.236 60 HA ILE 7 HA ILE 7 1.067 9.252 -7.738 61 HB ILE 7 HB ILE 7 -1.357 7.673 -8.559 62 HG12 ILE 7 HG12 ILE 7 0.092 5.743 -7.302 63 HG13 ILE 7 HG11 ILE 7 0.579 7.149 -6.287 64 HG21 ILE 7 HG21 ILE 7 1.701 7.518 -9.017 65 HG22 ILE 7 HG22 ILE 7 0.417 7.881 -10.232 66 HG23 ILE 7 HG23 ILE 7 0.563 6.220 -9.542 67 HD11 ILE 7 HD11 ILE 7 -2.193 7.483 -6.441 68 HD12 ILE 7 HD12 ILE 7 -1.294 6.719 -5.078 69 HD13 ILE 7 HD13 ILE 7 -2.020 5.689 -6.374 70 H ILE 8 HN ILE 8 -1.729 10.647 -6.911 71 HA ILE 8 HA ILE 8 -2.032 11.930 -9.497 72 HB ILE 8 HB ILE 8 -4.087 11.895 -7.278 73 HG12 ILE 8 HG12 ILE 8 -5.092 10.007 -8.963 74 HG13 ILE 8 HG11 ILE 8 -3.332 9.712 -9.200 75 HG21 ILE 8 HG21 ILE 8 -5.602 12.166 -9.426 76 HG22 ILE 8 HG22 ILE 8 -4.061 12.459 -10.316 77 HG23 ILE 8 HG23 ILE 8 -4.551 13.562 -8.974 78 HD11 ILE 8 HD11 ILE 8 -5.007 9.406 -6.650 79 HD12 ILE 8 HD12 ILE 8 -3.239 9.762 -6.519 80 HD13 ILE 8 HD13 ILE 8 -3.804 8.277 -7.378 81 H LEU 9 HN LEU 9 -0.178 12.059 -7.624 82 HA LEU 9 HA LEU 9 -0.146 14.791 -6.991 83 HB2 LEU 9 HB2 LEU 9 -0.017 12.557 -4.980 84 HB3 LEU 9 HB1 LEU 9 1.207 13.860 -4.858 85 HG LEU 9 HG LEU 9 -0.528 14.448 -3.343 86 HD11 LEU 9 HD11 LEU 9 -0.409 16.614 -3.995 87 HD12 LEU 9 HD12 LEU 9 -1.693 16.332 -5.230 88 HD13 LEU 9 HD13 LEU 9 0.045 16.100 -5.667 89 HD21 LEU 9 HD21 LEU 9 -2.194 12.922 -5.009 90 HD22 LEU 9 HD22 LEU 9 -2.835 14.601 -5.217 91 HD23 LEU 9 HD23 LEU 9 -2.718 13.878 -3.566 92 H DAS 10 HN DAS 10 0.832 11.504 -7.101 93 HA DAS 10 HA DAS 10 2.664 10.553 -7.736 94 HB2 DAS 10 HB2 DAS 10 4.165 13.172 -7.979 95 HB3 DAS 10 HB1 DAS 10 3.897 12.414 -6.363 96 H PHE 11 HN PHE 11 1.051 13.061 -9.134 97 HA PHE 11 HA PHE 11 2.264 12.592 -11.753 98 HB2 PHE 11 HB2 PHE 11 0.153 11.987 -12.550 99 HB3 PHE 11 HB1 PHE 11 -0.461 12.119 -10.847 100 HD1 PHE 11 HD1 PHE 11 0.092 13.971 -13.978 101 HD2 PHE 11 HD2 PHE 11 -1.551 13.892 -10.099 102 HE1 PHE 11 HE1 PHE 11 -0.956 16.106 -14.392 103 HE2 PHE 11 HE2 PHE 11 -2.613 15.974 -10.462 104 HZ PHE 11 HZ PHE 11 -2.387 17.147 -12.648 105 H LEU 12 HN LEU 12 0.944 14.632 -9.159 106 HA LEU 12 HA LEU 12 0.581 16.973 -10.612 107 HB2 LEU 12 HB2 LEU 12 0.957 16.128 -7.825 108 HB3 LEU 12 HB1 LEU 12 1.449 17.829 -8.113 109 HG LEU 12 HG LEU 12 -0.680 17.964 -7.385 110 HD11 LEU 12 HD11 LEU 12 -1.302 17.761 -10.372 111 HD12 LEU 12 HD12 LEU 12 -0.277 19.074 -9.687 112 HD13 LEU 12 HD13 LEU 12 -1.993 18.897 -9.154 113 HD21 LEU 12 HD21 LEU 12 -1.568 15.915 -7.106 114 HD22 LEU 12 HD22 LEU 12 -1.017 15.329 -8.714 115 HD23 LEU 12 HD23 LEU 12 -2.504 16.359 -8.582 116 H PHE 13 HN PHE 13 3.404 15.863 -8.716 117 HA PHE 13 HA PHE 13 4.694 18.307 -9.350 118 HB2 PHE 13 HB2 PHE 13 6.281 15.959 -8.264 119 HB3 PHE 13 HB1 PHE 13 6.338 17.709 -7.771 120 HD1 PHE 13 HD1 PHE 13 5.451 14.634 -6.741 121 HD2 PHE 13 HD2 PHE 13 3.917 18.543 -7.181 122 HE1 PHE 13 HE1 PHE 13 3.669 14.116 -5.221 123 HE2 PHE 13 HE2 PHE 13 2.150 18.036 -5.653 124 HZ PHE 13 HZ PHE 13 2.004 15.823 -4.681 125 H LEU 14 HN LEU 14 3.759 15.940 -11.155 126 HA LEU 14 HA LEU 14 6.252 15.663 -12.607 127 HB2 LEU 14 HB2 LEU 14 3.802 13.864 -12.539 128 HB3 LEU 14 HB1 LEU 14 5.252 13.576 -13.577 129 HG LEU 14 HG LEU 14 5.034 13.450 -10.507 130 HD11 LEU 14 HD11 LEU 14 5.594 11.153 -10.730 131 HD12 LEU 14 HD12 LEU 14 6.318 11.367 -12.369 132 HD13 LEU 14 HD13 LEU 14 4.528 11.440 -12.158 133 HD21 LEU 14 HD21 LEU 14 7.113 14.539 -10.598 134 HD22 LEU 14 HD22 LEU 14 7.527 13.891 -12.230 135 HD23 LEU 14 HD23 LEU 14 7.638 12.824 -10.780 136 H ARG 15 HN ARG 15 3.137 17.167 -12.710 137 HA ARG 15 HA ARG 15 2.636 16.629 -15.441 138 HB2 ARG 15 HB2 ARG 15 0.985 18.434 -15.354 139 HB3 ARG 15 HB1 ARG 15 0.770 17.223 -14.033 140 HG2 ARG 15 HG2 ARG 15 2.413 19.022 -12.775 141 HG3 ARG 15 HG1 ARG 15 1.558 20.120 -13.908 142 HD2 ARG 15 HD2 ARG 15 0.066 18.098 -12.167 143 HD3 ARG 15 HD1 ARG 15 0.460 19.776 -11.586 144 HE ARG 15 HE ARG 15 -1.504 19.024 -13.700 145 HH11 ARG 15 HH11 ARG 15 0.473 21.558 -12.153 146 HH12 ARG 15 HH12 ARG 15 -0.508 22.872 -12.708 147 HH21 ARG 15 HH21 ARG 15 -2.832 20.812 -14.449 148 HH22 ARG 15 HH22 ARG 15 -2.419 22.441 -14.033 149 H LYS 16 HN LYS 16 4.057 19.248 -13.553 150 HA LYS 16 HA LYS 16 5.796 20.021 -15.565 151 HB2 LYS 16 HB2 LYS 16 4.713 22.037 -16.393 152 HB3 LYS 16 HB1 LYS 16 3.615 20.629 -16.657 153 HG2 LYS 16 HG2 LYS 16 1.989 21.528 -15.434 154 HG3 LYS 16 HG1 LYS 16 3.083 21.780 -14.031 155 HD2 LYS 16 HD2 LYS 16 3.884 23.902 -14.967 156 HD3 LYS 16 HD1 LYS 16 2.935 23.646 -16.470 157 HE2 LYS 16 HE2 LYS 16 1.577 23.793 -13.704 158 HE3 LYS 16 HE1 LYS 16 1.913 25.271 -14.699 159 HZ1 LYS 16 HZ1 LYS 16 0.730 24.026 -16.533 160 HZ2 LYS 16 HZ2 LYS 16 -0.215 24.603 -15.246 161 HZ3 LYS 16 HZ3 LYS 16 0.183 22.954 -15.336 162 H LYS 17 HN LYS 17 5.599 19.376 -12.795 163 HA LYS 17 HA LYS 17 6.329 21.950 -11.636 164 HB2 LYS 17 HB2 LYS 17 4.361 19.854 -10.584 165 HB3 LYS 17 HB1 LYS 17 5.282 20.899 -9.430 166 HG2 LYS 17 HG2 LYS 17 4.370 22.944 -10.572 167 HG3 LYS 17 HG1 LYS 17 3.438 21.892 -11.693 168 HD2 LYS 17 HD2 LYS 17 2.188 20.926 -9.765 169 HD3 LYS 17 HD1 LYS 17 3.143 21.938 -8.628 170 HE2 LYS 17 HE2 LYS 17 2.208 24.019 -9.679 171 HE3 LYS 17 HE1 LYS 17 1.255 23.002 -10.837 172 HZ1 LYS 17 HZ1 LYS 17 1.039 22.805 -7.880 173 HZ2 LYS 17 HZ2 LYS 17 0.035 22.097 -9.051 174 HZ3 LYS 17 HZ3 LYS 17 0.044 23.782 -8.848 Start of MODEL 15 1 H1 ALA 1 HT1 ALA 1 -1.946 6.262 4.845 2 H2 ALA 1 HT2 ALA 1 -2.448 5.141 6.020 3 H3 ALA 1 HT3 ALA 1 -3.259 5.230 4.530 4 HA ALA 1 HA ALA 1 -0.481 4.799 4.187 5 HB1 ALA 1 HB1 ALA 1 -0.421 2.443 5.070 6 HB2 ALA 1 HB2 ALA 1 -2.093 2.660 5.715 7 HB3 ALA 1 HB3 ALA 1 -0.729 3.620 6.403 8 H MET 2 HN MET 2 -2.392 5.517 2.349 9 HA MET 2 HA MET 2 -2.835 2.962 0.967 10 HB2 MET 2 HB2 MET 2 -4.649 5.447 1.001 11 HB3 MET 2 HB1 MET 2 -4.833 4.082 -0.155 12 HG2 MET 2 HG2 MET 2 -5.105 2.521 1.851 13 HG3 MET 2 HG1 MET 2 -5.129 3.970 2.905 14 HE1 MET 2 HE1 MET 2 -6.731 6.201 1.452 15 HE2 MET 2 HE2 MET 2 -6.737 5.620 3.153 16 HE3 MET 2 HE3 MET 2 -8.289 5.846 2.276 17 H ARG 3 HN ARG 3 -2.123 2.964 -1.207 18 HA ARG 3 HA ARG 3 -0.931 5.495 -1.984 19 HB2 ARG 3 HB2 ARG 3 0.307 3.118 -2.013 20 HB3 ARG 3 HB1 ARG 3 -0.592 2.937 -3.557 21 HG2 ARG 3 HG2 ARG 3 0.491 5.536 -3.712 22 HG3 ARG 3 HG1 ARG 3 1.792 4.575 -2.923 23 HD2 ARG 3 HD2 ARG 3 0.343 3.572 -5.447 24 HD3 ARG 3 HD1 ARG 3 1.813 4.645 -5.532 25 HE ARG 3 HE ARG 3 2.420 2.489 -3.753 26 HH11 ARG 3 HH11 ARG 3 1.585 3.075 -7.164 27 HH12 ARG 3 HH12 ARG 3 2.476 1.723 -7.777 28 HH21 ARG 3 HH21 ARG 3 3.635 0.648 -4.584 29 HH22 ARG 3 HH22 ARG 3 3.662 0.319 -6.283 30 H ILE 4 HN ILE 4 -3.205 6.157 -2.164 31 HA ILE 4 HA ILE 4 -4.152 5.442 -4.836 32 HB ILE 4 HB ILE 4 -6.342 6.275 -4.049 33 HG12 ILE 4 HG12 ILE 4 -4.958 6.236 -1.307 34 HG13 ILE 4 HG11 ILE 4 -5.442 7.703 -2.231 35 HG21 ILE 4 HG21 ILE 4 -5.954 3.848 -4.149 36 HG22 ILE 4 HG22 ILE 4 -6.792 4.175 -2.585 37 HG23 ILE 4 HG23 ILE 4 -5.009 3.882 -2.611 38 HD11 ILE 4 HD11 ILE 4 -7.263 5.607 -0.914 39 HD12 ILE 4 HD12 ILE 4 -7.873 6.728 -2.190 40 HD13 ILE 4 HD13 ILE 4 -7.210 7.391 -0.648 41 H SER 5 HN SER 5 -2.936 7.746 -2.613 42 HA SER 5 HA SER 5 -3.754 9.863 -4.469 43 HB2 SER 5 HB2 SER 5 -3.530 11.488 -2.535 44 HB3 SER 5 HB1 SER 5 -4.831 10.262 -2.261 45 HG SER 5 HG SER 5 -2.230 10.416 -1.170 46 H ARG 6 HN ARG 6 -1.336 8.133 -4.769 47 HA ARG 6 HA ARG 6 0.421 10.365 -4.750 48 HB2 ARG 6 HB2 ARG 6 1.090 9.255 -2.658 49 HB3 ARG 6 HB1 ARG 6 1.120 7.666 -3.498 50 HG2 ARG 6 HG2 ARG 6 3.393 8.887 -3.106 51 HG3 ARG 6 HG1 ARG 6 3.064 8.184 -4.721 52 HD2 ARG 6 HD2 ARG 6 4.039 10.452 -5.006 53 HD3 ARG 6 HD1 ARG 6 2.294 10.490 -5.528 54 HE ARG 6 HE ARG 6 1.793 11.831 -3.620 55 HH11 ARG 6 HH11 ARG 6 5.119 10.549 -3.475 56 HH12 ARG 6 HH12 ARG 6 5.614 11.564 -2.162 57 HH21 ARG 6 HH21 ARG 6 2.471 13.206 -1.836 58 HH22 ARG 6 HH22 ARG 6 4.084 13.098 -1.216 59 H ILE 7 HN ILE 7 -1.116 9.494 -6.682 60 HA ILE 7 HA ILE 7 0.842 8.395 -8.483 61 HB ILE 7 HB ILE 7 -2.077 7.693 -8.827 62 HG12 ILE 7 HG12 ILE 7 -1.121 5.393 -7.704 63 HG13 ILE 7 HG11 ILE 7 -0.128 6.588 -6.799 64 HG21 ILE 7 HG21 ILE 7 0.585 6.328 -9.639 65 HG22 ILE 7 HG22 ILE 7 -0.426 7.379 -10.703 66 HG23 ILE 7 HG23 ILE 7 -1.070 5.796 -10.122 67 HD11 ILE 7 HD11 ILE 7 -2.077 6.263 -5.457 68 HD12 ILE 7 HD12 ILE 7 -3.187 6.359 -6.878 69 HD13 ILE 7 HD13 ILE 7 -2.337 7.840 -6.290 70 H ILE 8 HN ILE 8 -2.178 9.999 -7.741 71 HA ILE 8 HA ILE 8 -2.127 11.606 -10.067 72 HB ILE 8 HB ILE 8 -3.350 12.384 -7.390 73 HG12 ILE 8 HG12 ILE 8 -5.412 11.013 -8.351 74 HG13 ILE 8 HG11 ILE 8 -4.131 10.078 -9.198 75 HG21 ILE 8 HG21 ILE 8 -4.058 12.775 -10.377 76 HG22 ILE 8 HG22 ILE 8 -3.599 14.032 -9.166 77 HG23 ILE 8 HG23 ILE 8 -5.192 13.194 -9.038 78 HD11 ILE 8 HD11 ILE 8 -3.784 8.880 -7.289 79 HD12 ILE 8 HD12 ILE 8 -4.962 9.906 -6.384 80 HD13 ILE 8 HD13 ILE 8 -3.218 10.386 -6.469 81 H LEU 9 HN LEU 9 -1.042 11.746 -6.670 82 HA LEU 9 HA LEU 9 -0.035 14.297 -7.169 83 HB2 LEU 9 HB2 LEU 9 0.416 12.171 -5.099 84 HB3 LEU 9 HB1 LEU 9 1.449 13.636 -5.153 85 HG LEU 9 HG LEU 9 -0.450 13.877 -3.530 86 HD11 LEU 9 HD11 LEU 9 0.188 15.720 -5.788 87 HD12 LEU 9 HD12 LEU 9 -0.004 16.066 -4.023 88 HD13 LEU 9 HD13 LEU 9 -1.455 16.007 -5.094 89 HD21 LEU 9 HD21 LEU 9 -2.359 14.017 -5.931 90 HD22 LEU 9 HD22 LEU 9 -2.742 13.820 -4.175 91 HD23 LEU 9 HD23 LEU 9 -2.022 12.447 -5.103 92 H DAS 10 HN DAS 10 0.794 11.026 -7.646 93 HA DAS 10 HA DAS 10 2.565 10.094 -8.446 94 HB2 DAS 10 HB2 DAS 10 4.129 12.670 -8.447 95 HB3 DAS 10 HB1 DAS 10 3.811 11.809 -6.894 96 H PHE 11 HN PHE 11 0.858 12.647 -9.587 97 HA PHE 11 HA PHE 11 2.122 12.486 -12.245 98 HB2 PHE 11 HB2 PHE 11 -0.013 12.047 -13.112 99 HB3 PHE 11 HB1 PHE 11 -0.640 12.051 -11.405 100 HD1 PHE 11 HD1 PHE 11 0.220 14.341 -14.229 101 HD2 PHE 11 HD2 PHE 11 -1.921 13.641 -10.692 102 HE1 PHE 11 HE1 PHE 11 -0.744 16.559 -14.360 103 HE2 PHE 11 HE2 PHE 11 -2.797 15.786 -10.696 104 HZ PHE 11 HZ PHE 11 -2.320 17.333 -12.602 105 H LEU 12 HN LEU 12 0.887 14.315 -9.466 106 HA LEU 12 HA LEU 12 0.651 16.795 -10.681 107 HB2 LEU 12 HB2 LEU 12 0.891 15.618 -8.030 108 HB3 LEU 12 HB1 LEU 12 1.547 17.288 -8.069 109 HG LEU 12 HG LEU 12 -0.542 17.672 -7.454 110 HD11 LEU 12 HD11 LEU 12 -0.064 18.615 -9.863 111 HD12 LEU 12 HD12 LEU 12 -1.727 18.760 -9.172 112 HD13 LEU 12 HD13 LEU 12 -1.355 17.470 -10.373 113 HD21 LEU 12 HD21 LEU 12 -2.569 16.309 -8.182 114 HD22 LEU 12 HD22 LEU 12 -1.304 15.439 -7.225 115 HD23 LEU 12 HD23 LEU 12 -1.397 15.218 -9.008 116 H PHE 13 HN PHE 13 3.458 15.453 -8.872 117 HA PHE 13 HA PHE 13 4.804 17.915 -9.360 118 HB2 PHE 13 HB2 PHE 13 6.324 15.455 -8.432 119 HB3 PHE 13 HB1 PHE 13 6.474 17.178 -7.864 120 HD1 PHE 13 HD1 PHE 13 5.359 14.081 -7.058 121 HD2 PHE 13 HD2 PHE 13 4.205 18.140 -7.120 122 HE1 PHE 13 HE1 PHE 13 3.570 13.601 -5.550 123 HE2 PHE 13 HE2 PHE 13 2.428 17.670 -5.586 124 HZ PHE 13 HZ PHE 13 2.100 15.410 -4.791 125 H LEU 14 HN LEU 14 3.799 15.789 -11.331 126 HA LEU 14 HA LEU 14 6.285 15.556 -12.802 127 HB2 LEU 14 HB2 LEU 14 3.780 13.834 -12.926 128 HB3 LEU 14 HB1 LEU 14 5.230 13.609 -13.980 129 HG LEU 14 HG LEU 14 4.969 13.171 -10.940 130 HD11 LEU 14 HD11 LEU 14 4.442 11.354 -12.789 131 HD12 LEU 14 HD12 LEU 14 5.516 10.895 -11.413 132 HD13 LEU 14 HD13 LEU 14 6.228 11.281 -13.024 133 HD21 LEU 14 HD21 LEU 14 7.488 13.780 -12.563 134 HD22 LEU 14 HD22 LEU 14 7.576 12.503 -11.292 135 HD23 LEU 14 HD23 LEU 14 7.077 14.179 -10.851 136 H ARG 15 HN ARG 15 3.351 17.286 -12.684 137 HA ARG 15 HA ARG 15 2.922 17.127 -15.529 138 HB2 ARG 15 HB2 ARG 15 1.198 18.915 -15.112 139 HB3 ARG 15 HB1 ARG 15 0.902 17.288 -14.402 140 HG2 ARG 15 HG2 ARG 15 0.969 18.058 -12.271 141 HG3 ARG 15 HG1 ARG 15 2.400 19.095 -12.590 142 HD2 ARG 15 HD2 ARG 15 0.712 20.682 -12.127 143 HD3 ARG 15 HD1 ARG 15 0.681 20.587 -13.946 144 HE ARG 15 HE ARG 15 -1.140 18.627 -12.893 145 HH11 ARG 15 HH11 ARG 15 -0.658 22.145 -13.155 146 HH12 ARG 15 HH12 ARG 15 -2.346 22.532 -13.191 147 HH21 ARG 15 HH21 ARG 15 -3.441 19.152 -12.943 148 HH22 ARG 15 HH22 ARG 15 -3.954 20.801 -13.067 149 H LYS 16 HN LYS 16 4.445 19.161 -13.137 150 HA LYS 16 HA LYS 16 5.930 20.589 -14.882 151 HB2 LYS 16 HB2 LYS 16 4.738 22.711 -15.239 152 HB3 LYS 16 HB1 LYS 16 3.700 21.369 -15.841 153 HG2 LYS 16 HG2 LYS 16 2.080 22.399 -14.651 154 HG3 LYS 16 HG1 LYS 16 2.789 21.486 -13.280 155 HD2 LYS 16 HD2 LYS 16 2.862 23.559 -12.288 156 HD3 LYS 16 HD1 LYS 16 4.391 23.719 -13.221 157 HE2 LYS 16 HE2 LYS 16 3.175 24.912 -15.054 158 HE3 LYS 16 HE1 LYS 16 1.612 24.713 -14.156 159 HZ1 LYS 16 HZ1 LYS 16 3.149 26.834 -13.958 160 HZ2 LYS 16 HZ2 LYS 16 3.842 25.917 -12.709 161 HZ3 LYS 16 HZ3 LYS 16 2.182 26.274 -12.680 162 H LYS 17 HN LYS 17 3.920 20.335 -12.026 163 HA LYS 17 HA LYS 17 5.083 22.326 -10.491 164 HB2 LYS 17 HB2 LYS 17 3.746 19.649 -9.838 165 HB3 LYS 17 HB1 LYS 17 4.304 20.784 -8.543 166 HG2 LYS 17 HG2 LYS 17 2.846 22.588 -9.524 167 HG3 LYS 17 HG1 LYS 17 2.275 21.427 -10.774 168 HD2 LYS 17 HD2 LYS 17 1.352 19.951 -8.981 169 HD3 LYS 17 HD1 LYS 17 1.936 21.099 -7.729 170 HE2 LYS 17 HE2 LYS 17 0.436 22.889 -8.657 171 HE3 LYS 17 HE1 LYS 17 -0.152 21.732 -9.924 172 HZ1 LYS 17 HZ1 LYS 17 -0.652 20.272 -7.863 173 HZ2 LYS 17 HZ2 LYS 17 -1.705 21.528 -8.308 174 HZ3 LYS 17 HZ3 LYS 17 -0.618 21.745 -7.021 Start of MODEL 16 1 H1 ALA 1 HT1 ALA 1 -0.443 5.035 3.271 2 H2 ALA 1 HT2 ALA 1 -0.185 5.163 4.946 3 H3 ALA 1 HT3 ALA 1 -1.215 6.261 4.159 4 HA ALA 1 HA ALA 1 -1.750 3.676 5.205 5 HB1 ALA 1 HB1 ALA 1 -3.519 5.953 4.113 6 HB2 ALA 1 HB2 ALA 1 -3.046 5.710 5.837 7 HB3 ALA 1 HB3 ALA 1 -4.140 4.525 5.027 8 H MET 2 HN MET 2 -2.422 5.320 2.026 9 HA MET 2 HA MET 2 -2.527 2.668 0.846 10 HB2 MET 2 HB2 MET 2 -4.964 3.549 1.451 11 HB3 MET 2 HB1 MET 2 -4.660 4.742 0.134 12 HG2 MET 2 HG2 MET 2 -5.880 2.876 -0.808 13 HG3 MET 2 HG1 MET 2 -4.209 2.844 -1.450 14 HE1 MET 2 HE1 MET 2 -4.267 0.520 -2.334 15 HE2 MET 2 HE2 MET 2 -6.018 0.548 -1.923 16 HE3 MET 2 HE3 MET 2 -5.018 -0.883 -1.496 17 H ARG 3 HN ARG 3 -1.556 2.725 -1.242 18 HA ARG 3 HA ARG 3 -0.665 5.382 -1.961 19 HB2 ARG 3 HB2 ARG 3 0.841 3.193 -1.841 20 HB3 ARG 3 HB1 ARG 3 0.120 2.884 -3.456 21 HG2 ARG 3 HG2 ARG 3 0.833 5.488 -3.804 22 HG3 ARG 3 HG1 ARG 3 2.060 5.020 -2.573 23 HD2 ARG 3 HD2 ARG 3 1.537 3.323 -5.084 24 HD3 ARG 3 HD1 ARG 3 2.747 4.683 -5.056 25 HE ARG 3 HE ARG 3 3.245 2.998 -2.788 26 HH11 ARG 3 HH11 ARG 3 3.310 2.936 -6.348 27 HH12 ARG 3 HH12 ARG 3 4.591 1.776 -6.459 28 HH21 ARG 3 HH21 ARG 3 4.989 1.420 -2.937 29 HH22 ARG 3 HH22 ARG 3 5.562 0.900 -4.486 30 H ILE 4 HN ILE 4 -2.960 5.814 -2.400 31 HA ILE 4 HA ILE 4 -3.459 5.117 -5.198 32 HB ILE 4 HB ILE 4 -5.843 5.619 -4.662 33 HG12 ILE 4 HG12 ILE 4 -4.797 5.436 -1.784 34 HG13 ILE 4 HG11 ILE 4 -5.337 6.934 -2.616 35 HG21 ILE 4 HG21 ILE 4 -4.270 3.252 -3.500 36 HG22 ILE 4 HG22 ILE 4 -5.350 3.296 -4.947 37 HG23 ILE 4 HG23 ILE 4 -6.062 3.325 -3.288 38 HD11 ILE 4 HD11 ILE 4 -7.253 6.306 -1.360 39 HD12 ILE 4 HD12 ILE 4 -7.028 4.547 -1.694 40 HD13 ILE 4 HD13 ILE 4 -7.616 5.647 -2.999 41 H SER 5 HN SER 5 -2.892 7.404 -2.708 42 HA SER 5 HA SER 5 -3.888 9.518 -4.470 43 HB2 SER 5 HB2 SER 5 -3.865 11.032 -2.452 44 HB3 SER 5 HB1 SER 5 -4.953 9.610 -2.204 45 HG SER 5 HG SER 5 -2.437 10.191 -1.114 46 H ARG 6 HN ARG 6 -1.211 7.946 -4.500 47 HA ARG 6 HA ARG 6 0.295 10.394 -4.518 48 HB2 ARG 6 HB2 ARG 6 1.112 9.196 -2.537 49 HB3 ARG 6 HB1 ARG 6 1.184 7.661 -3.470 50 HG2 ARG 6 HG2 ARG 6 3.413 8.965 -3.054 51 HG3 ARG 6 HG1 ARG 6 3.082 8.322 -4.696 52 HD2 ARG 6 HD2 ARG 6 3.945 10.643 -4.898 53 HD3 ARG 6 HD1 ARG 6 2.184 10.628 -5.367 54 HE ARG 6 HE ARG 6 1.684 11.853 -3.382 55 HH11 ARG 6 HH11 ARG 6 5.067 10.721 -3.400 56 HH12 ARG 6 HH12 ARG 6 5.558 11.693 -2.055 57 HH21 ARG 6 HH21 ARG 6 2.356 13.170 -1.553 58 HH22 ARG 6 HH22 ARG 6 3.992 13.107 -0.988 59 H ILE 7 HN ILE 7 -1.309 9.416 -6.411 60 HA ILE 7 HA ILE 7 0.640 8.528 -8.352 61 HB ILE 7 HB ILE 7 -2.053 8.030 -9.248 62 HG12 ILE 7 HG12 ILE 7 -2.453 7.966 -6.732 63 HG13 ILE 7 HG11 ILE 7 -2.926 6.494 -7.647 64 HG21 ILE 7 HG21 ILE 7 -1.085 5.613 -9.353 65 HG22 ILE 7 HG22 ILE 7 0.431 6.299 -8.655 66 HG23 ILE 7 HG23 ILE 7 -0.173 6.885 -10.251 67 HD11 ILE 7 HD11 ILE 7 -0.122 6.468 -6.552 68 HD12 ILE 7 HD12 ILE 7 -1.378 5.172 -6.560 69 HD13 ILE 7 HD13 ILE 7 -1.438 6.482 -5.318 70 H ILE 8 HN ILE 8 -2.247 10.231 -7.396 71 HA ILE 8 HA ILE 8 -2.285 11.889 -9.669 72 HB ILE 8 HB ILE 8 -3.371 12.461 -6.872 73 HG12 ILE 8 HG12 ILE 8 -5.536 11.416 -8.012 74 HG13 ILE 8 HG11 ILE 8 -4.324 10.540 -9.012 75 HG21 ILE 8 HG21 ILE 8 -3.459 14.374 -8.425 76 HG22 ILE 8 HG22 ILE 8 -5.129 13.710 -8.266 77 HG23 ILE 8 HG23 ILE 8 -4.151 13.347 -9.738 78 HD11 ILE 8 HD11 ILE 8 -4.004 9.044 -7.323 79 HD12 ILE 8 HD12 ILE 8 -5.185 9.930 -6.286 80 HD13 ILE 8 HD13 ILE 8 -3.429 10.373 -6.243 81 H LEU 9 HN LEU 9 -1.074 12.031 -6.307 82 HA LEU 9 HA LEU 9 -0.045 14.559 -6.898 83 HB2 LEU 9 HB2 LEU 9 0.339 12.495 -4.770 84 HB3 LEU 9 HB1 LEU 9 1.515 13.846 -4.914 85 HG LEU 9 HG LEU 9 -0.319 14.319 -3.245 86 HD11 LEU 9 HD11 LEU 9 -1.121 16.529 -4.759 87 HD12 LEU 9 HD12 LEU 9 0.403 16.041 -5.596 88 HD13 LEU 9 HD13 LEU 9 0.420 16.414 -3.827 89 HD21 LEU 9 HD21 LEU 9 -2.211 14.517 -5.670 90 HD22 LEU 9 HD22 LEU 9 -2.622 14.619 -3.913 91 HD23 LEU 9 HD23 LEU 9 -2.100 13.047 -4.630 92 H DAS 10 HN DAS 10 0.710 11.274 -7.371 93 HA DAS 10 HA DAS 10 2.469 10.306 -8.178 94 HB2 DAS 10 HB2 DAS 10 4.101 12.828 -8.374 95 HB3 DAS 10 HB1 DAS 10 3.773 12.143 -6.741 96 H PHE 11 HN PHE 11 0.746 12.858 -9.311 97 HA PHE 11 HA PHE 11 1.902 12.616 -12.014 98 HB2 PHE 11 HB2 PHE 11 -0.281 12.224 -12.786 99 HB3 PHE 11 HB1 PHE 11 -0.842 12.287 -11.059 100 HD1 PHE 11 HD1 PHE 11 -0.028 14.468 -13.974 101 HD2 PHE 11 HD2 PHE 11 -2.025 13.952 -10.321 102 HE1 PHE 11 HE1 PHE 11 -0.911 16.715 -14.127 103 HE2 PHE 11 HE2 PHE 11 -2.822 16.126 -10.351 104 HZ PHE 11 HZ PHE 11 -2.372 17.604 -12.323 105 H LEU 12 HN LEU 12 0.832 14.530 -9.229 106 HA LEU 12 HA LEU 12 0.593 16.990 -10.470 107 HB2 LEU 12 HB2 LEU 12 0.947 15.850 -7.817 108 HB3 LEU 12 HB1 LEU 12 1.648 17.499 -7.917 109 HG LEU 12 HG LEU 12 -0.396 17.933 -7.182 110 HD11 LEU 12 HD11 LEU 12 -1.330 17.777 -10.070 111 HD12 LEU 12 HD12 LEU 12 0.001 18.890 -9.588 112 HD13 LEU 12 HD13 LEU 12 -1.635 19.059 -8.839 113 HD21 LEU 12 HD21 LEU 12 -2.502 16.631 -7.896 114 HD22 LEU 12 HD22 LEU 12 -1.261 15.772 -6.899 115 HD23 LEU 12 HD23 LEU 12 -1.350 15.486 -8.674 116 H PHE 13 HN PHE 13 3.461 15.614 -8.795 117 HA PHE 13 HA PHE 13 4.843 18.031 -9.402 118 HB2 PHE 13 HB2 PHE 13 6.357 15.565 -8.493 119 HB3 PHE 13 HB1 PHE 13 6.551 17.293 -7.957 120 HD1 PHE 13 HD1 PHE 13 5.470 14.226 -7.030 121 HD2 PHE 13 HD2 PHE 13 4.301 18.279 -7.146 122 HE1 PHE 13 HE1 PHE 13 3.752 13.784 -5.427 123 HE2 PHE 13 HE2 PHE 13 2.597 17.845 -5.523 124 HZ PHE 13 HZ PHE 13 2.314 15.606 -4.656 125 H LEU 14 HN LEU 14 3.693 15.902 -11.288 126 HA LEU 14 HA LEU 14 6.115 15.546 -12.838 127 HB2 LEU 14 HB2 LEU 14 3.553 13.908 -12.820 128 HB3 LEU 14 HB1 LEU 14 4.946 13.613 -13.931 129 HG LEU 14 HG LEU 14 4.807 13.245 -10.875 130 HD11 LEU 14 HD11 LEU 14 4.144 11.408 -12.652 131 HD12 LEU 14 HD12 LEU 14 5.276 10.943 -11.324 132 HD13 LEU 14 HD13 LEU 14 5.914 11.279 -12.977 133 HD21 LEU 14 HD21 LEU 14 7.269 13.753 -12.613 134 HD22 LEU 14 HD22 LEU 14 7.377 12.491 -11.330 135 HD23 LEU 14 HD23 LEU 14 6.945 14.186 -10.892 136 H ARG 15 HN ARG 15 3.182 17.319 -12.686 137 HA ARG 15 HA ARG 15 2.544 17.062 -15.439 138 HB2 ARG 15 HB2 ARG 15 1.036 18.945 -15.149 139 HB3 ARG 15 HB1 ARG 15 0.774 17.659 -13.909 140 HG2 ARG 15 HG2 ARG 15 2.486 19.183 -12.502 141 HG3 ARG 15 HG1 ARG 15 1.898 20.452 -13.625 142 HD2 ARG 15 HD2 ARG 15 -0.050 18.620 -12.148 143 HD3 ARG 15 HD1 ARG 15 0.583 20.155 -11.394 144 HE ARG 15 HE ARG 15 -0.377 20.688 -14.080 145 HH11 ARG 15 HH11 ARG 15 -1.466 19.901 -10.782 146 HH12 ARG 15 HH12 ARG 15 -3.006 20.676 -10.941 147 HH21 ARG 15 HH21 ARG 15 -2.468 21.740 -14.296 148 HH22 ARG 15 HH22 ARG 15 -3.585 21.739 -12.974 149 H LYS 16 HN LYS 16 4.569 19.069 -13.443 150 HA LYS 16 HA LYS 16 6.059 20.134 -15.407 151 HB2 LYS 16 HB2 LYS 16 5.086 22.290 -15.994 152 HB3 LYS 16 HB1 LYS 16 3.798 21.061 -16.250 153 HG2 LYS 16 HG2 LYS 16 2.498 22.447 -15.056 154 HG3 LYS 16 HG1 LYS 16 3.304 21.707 -13.640 155 HD2 LYS 16 HD2 LYS 16 3.696 23.921 -13.104 156 HD3 LYS 16 HD1 LYS 16 5.132 23.657 -14.154 157 HE2 LYS 16 HE2 LYS 16 3.908 24.638 -16.107 158 HE3 LYS 16 HE1 LYS 16 2.437 24.873 -15.072 159 HZ1 LYS 16 HZ1 LYS 16 3.337 26.629 -14.098 160 HZ2 LYS 16 HZ2 LYS 16 4.372 26.676 -15.443 161 HZ3 LYS 16 HZ3 LYS 16 4.894 25.961 -13.994 162 H LYS 17 HN LYS 17 4.258 20.347 -12.426 163 HA LYS 17 HA LYS 17 5.652 22.335 -11.128 164 HB2 LYS 17 HB2 LYS 17 4.262 19.771 -10.173 165 HB3 LYS 17 HB1 LYS 17 4.952 20.986 -9.021 166 HG2 LYS 17 HG2 LYS 17 3.485 22.758 -10.031 167 HG3 LYS 17 HG1 LYS 17 2.792 21.534 -11.153 168 HD2 LYS 17 HD2 LYS 17 1.963 20.215 -9.189 169 HD3 LYS 17 HD1 LYS 17 2.650 21.444 -8.074 170 HE2 LYS 17 HE2 LYS 17 0.476 22.021 -10.201 171 HE3 LYS 17 HE1 LYS 17 0.168 21.752 -8.435 172 HZ1 LYS 17 HZ1 LYS 17 0.486 23.898 -8.230 173 HZ2 LYS 17 HZ2 LYS 17 1.091 24.074 -9.807 174 HZ3 LYS 17 HZ3 LYS 17 2.137 23.647 -8.539 Start of MODEL 17 1 H1 ALA 1 HT1 ALA 1 -0.791 5.132 4.451 2 H2 ALA 1 HT2 ALA 1 -0.349 5.151 2.811 3 H3 ALA 1 HT3 ALA 1 0.784 4.693 3.991 4 HA ALA 1 HA ALA 1 0.231 2.630 3.581 5 HB1 ALA 1 HB1 ALA 1 -1.007 2.951 5.727 6 HB2 ALA 1 HB2 ALA 1 -1.917 1.813 4.662 7 HB3 ALA 1 HB3 ALA 1 -2.448 3.532 4.812 8 H MET 2 HN MET 2 -2.658 4.648 2.668 9 HA MET 2 HA MET 2 -3.160 2.747 0.523 10 HB2 MET 2 HB2 MET 2 -4.745 4.878 1.926 11 HB3 MET 2 HB1 MET 2 -4.995 4.806 0.146 12 HG2 MET 2 HG2 MET 2 -6.672 3.394 1.070 13 HG3 MET 2 HG1 MET 2 -5.425 2.290 0.411 14 HE1 MET 2 HE1 MET 2 -5.874 4.399 3.890 15 HE2 MET 2 HE2 MET 2 -6.776 3.087 4.721 16 HE3 MET 2 HE3 MET 2 -7.376 3.737 3.157 17 H ARG 3 HN ARG 3 -1.398 3.144 -0.945 18 HA ARG 3 HA ARG 3 -1.081 5.912 -1.710 19 HB2 ARG 3 HB2 ARG 3 0.837 4.053 -1.459 20 HB3 ARG 3 HB1 ARG 3 0.323 3.652 -3.131 21 HG2 ARG 3 HG2 ARG 3 0.520 6.410 -3.283 22 HG3 ARG 3 HG1 ARG 3 1.809 6.033 -2.087 23 HD2 ARG 3 HD2 ARG 3 2.846 4.412 -3.687 24 HD3 ARG 3 HD1 ARG 3 1.522 4.755 -4.887 25 HE ARG 3 HE ARG 3 2.803 7.229 -4.044 26 HH11 ARG 3 HH11 ARG 3 3.238 4.291 -6.012 27 HH12 ARG 3 HH12 ARG 3 4.280 5.039 -7.175 28 HH21 ARG 3 HH21 ARG 3 4.214 8.248 -5.630 29 HH22 ARG 3 HH22 ARG 3 4.845 7.327 -6.954 30 H ILE 4 HN ILE 4 -3.354 5.894 -2.339 31 HA ILE 4 HA ILE 4 -3.534 4.948 -5.101 32 HB ILE 4 HB ILE 4 -5.981 5.099 -4.768 33 HG12 ILE 4 HG12 ILE 4 -5.169 5.428 -1.825 34 HG13 ILE 4 HG11 ILE 4 -5.902 6.689 -2.875 35 HG21 ILE 4 HG21 ILE 4 -4.318 3.172 -3.004 36 HG22 ILE 4 HG22 ILE 4 -4.870 2.895 -4.702 37 HG23 ILE 4 HG23 ILE 4 -6.073 2.927 -3.356 38 HD11 ILE 4 HD11 ILE 4 -7.197 4.196 -1.680 39 HD12 ILE 4 HD12 ILE 4 -7.843 4.876 -3.221 40 HD13 ILE 4 HD13 ILE 4 -7.799 5.896 -1.733 41 H SER 5 HN SER 5 -3.544 7.502 -2.788 42 HA SER 5 HA SER 5 -4.494 9.285 -4.907 43 HB2 SER 5 HB2 SER 5 -4.844 9.624 -1.868 44 HB3 SER 5 HB1 SER 5 -5.264 10.883 -3.097 45 HG SER 5 HG SER 5 -6.392 8.681 -3.911 46 H ARG 6 HN ARG 6 -1.725 8.402 -4.580 47 HA ARG 6 HA ARG 6 -0.704 11.015 -4.043 48 HB2 ARG 6 HB2 ARG 6 -0.208 9.921 -1.933 49 HB3 ARG 6 HB1 ARG 6 0.268 8.412 -2.779 50 HG2 ARG 6 HG2 ARG 6 2.177 9.861 -1.840 51 HG3 ARG 6 HG1 ARG 6 2.319 9.338 -3.551 52 HD2 ARG 6 HD2 ARG 6 2.942 11.745 -3.372 53 HD3 ARG 6 HD1 ARG 6 1.368 11.596 -4.279 54 HE ARG 6 HE ARG 6 0.252 12.606 -2.436 55 HH11 ARG 6 HH11 ARG 6 3.614 11.758 -1.600 56 HH12 ARG 6 HH12 ARG 6 3.627 12.642 -0.111 57 HH21 ARG 6 HH21 ARG 6 0.274 13.806 -0.414 58 HH22 ARG 6 HH22 ARG 6 1.696 13.824 0.574 59 H ILE 7 HN ILE 7 -1.536 9.224 -6.281 60 HA ILE 7 HA ILE 7 1.045 9.296 -7.624 61 HB ILE 7 HB ILE 7 -1.266 7.616 -8.558 62 HG12 ILE 7 HG12 ILE 7 0.149 5.773 -7.142 63 HG13 ILE 7 HG11 ILE 7 0.521 7.223 -6.141 64 HG21 ILE 7 HG21 ILE 7 0.630 7.852 -10.100 65 HG22 ILE 7 HG22 ILE 7 0.746 6.204 -9.375 66 HG23 ILE 7 HG23 ILE 7 1.822 7.527 -8.784 67 HD11 ILE 7 HD11 ILE 7 -1.437 6.887 -5.070 68 HD12 ILE 7 HD12 ILE 7 -1.968 5.644 -6.270 69 HD13 ILE 7 HD13 ILE 7 -2.273 7.393 -6.582 70 H ILE 8 HN ILE 8 -1.818 10.641 -7.014 71 HA ILE 8 HA ILE 8 -1.998 11.837 -9.653 72 HB ILE 8 HB ILE 8 -4.170 11.825 -7.548 73 HG12 ILE 8 HG12 ILE 8 -5.054 9.884 -9.239 74 HG13 ILE 8 HG11 ILE 8 -3.278 9.615 -9.379 75 HG21 ILE 8 HG21 ILE 8 -3.964 12.359 -10.580 76 HG22 ILE 8 HG22 ILE 8 -4.611 13.435 -9.283 77 HG23 ILE 8 HG23 ILE 8 -5.556 11.992 -9.813 78 HD11 ILE 8 HD11 ILE 8 -3.340 9.732 -6.691 79 HD12 ILE 8 HD12 ILE 8 -3.802 8.214 -7.553 80 HD13 ILE 8 HD13 ILE 8 -5.085 9.312 -6.922 81 H LEU 9 HN LEU 9 -0.252 12.061 -7.688 82 HA LEU 9 HA LEU 9 -0.305 14.814 -7.146 83 HB2 LEU 9 HB2 LEU 9 -0.237 12.648 -5.058 84 HB3 LEU 9 HB1 LEU 9 0.954 13.978 -4.918 85 HG LEU 9 HG LEU 9 -0.871 14.574 -3.513 86 HD11 LEU 9 HD11 LEU 9 -1.965 16.384 -5.507 87 HD12 LEU 9 HD12 LEU 9 -0.205 16.167 -5.855 88 HD13 LEU 9 HD13 LEU 9 -0.745 16.721 -4.222 89 HD21 LEU 9 HD21 LEU 9 -3.074 14.629 -5.516 90 HD22 LEU 9 HD22 LEU 9 -3.038 13.963 -3.837 91 HD23 LEU 9 HD23 LEU 9 -2.419 12.970 -5.217 92 H DAS 10 HN DAS 10 0.741 11.547 -7.103 93 HA DAS 10 HA DAS 10 2.621 10.614 -7.612 94 HB2 DAS 10 HB2 DAS 10 4.057 13.275 -7.841 95 HB3 DAS 10 HB1 DAS 10 3.770 12.506 -6.234 96 H PHE 11 HN PHE 11 1.043 13.053 -9.168 97 HA PHE 11 HA PHE 11 2.394 12.527 -11.706 98 HB2 PHE 11 HB2 PHE 11 0.339 11.851 -12.589 99 HB3 PHE 11 HB1 PHE 11 -0.365 12.025 -10.925 100 HD1 PHE 11 HD1 PHE 11 0.316 13.787 -14.082 101 HD2 PHE 11 HD2 PHE 11 -1.524 13.797 -10.292 102 HE1 PHE 11 HE1 PHE 11 -0.747 15.888 -14.617 103 HE2 PHE 11 HE2 PHE 11 -2.604 15.845 -10.776 104 HZ PHE 11 HZ PHE 11 -2.285 16.954 -12.983 105 H LEU 12 HN LEU 12 0.897 14.614 -9.246 106 HA LEU 12 HA LEU 12 0.571 16.905 -10.784 107 HB2 LEU 12 HB2 LEU 12 0.814 16.149 -7.957 108 HB3 LEU 12 HB1 LEU 12 1.289 17.850 -8.271 109 HG LEU 12 HG LEU 12 -0.877 17.964 -7.659 110 HD11 LEU 12 HD11 LEU 12 -0.376 19.019 -9.963 111 HD12 LEU 12 HD12 LEU 12 -2.115 18.814 -9.524 112 HD13 LEU 12 HD13 LEU 12 -1.330 17.664 -10.669 113 HD21 LEU 12 HD21 LEU 12 -2.605 16.288 -8.902 114 HD22 LEU 12 HD22 LEU 12 -1.739 15.906 -7.364 115 HD23 LEU 12 HD23 LEU 12 -1.099 15.286 -8.927 116 H PHE 13 HN PHE 13 3.309 15.906 -8.708 117 HA PHE 13 HA PHE 13 4.586 18.355 -9.347 118 HB2 PHE 13 HB2 PHE 13 6.155 16.071 -8.112 119 HB3 PHE 13 HB1 PHE 13 6.156 17.834 -7.668 120 HD1 PHE 13 HD1 PHE 13 5.271 14.773 -6.597 121 HD2 PHE 13 HD2 PHE 13 3.694 18.639 -7.228 122 HE1 PHE 13 HE1 PHE 13 3.419 14.263 -5.160 123 HE2 PHE 13 HE2 PHE 13 1.858 18.140 -5.779 124 HZ PHE 13 HZ PHE 13 1.700 15.954 -4.753 125 H LEU 14 HN LEU 14 3.791 15.919 -11.128 126 HA LEU 14 HA LEU 14 6.363 15.652 -12.437 127 HB2 LEU 14 HB2 LEU 14 3.944 13.807 -12.450 128 HB3 LEU 14 HB1 LEU 14 5.454 13.520 -13.401 129 HG LEU 14 HG LEU 14 5.076 13.479 -10.344 130 HD11 LEU 14 HD11 LEU 14 6.480 11.362 -12.076 131 HD12 LEU 14 HD12 LEU 14 4.681 11.413 -11.955 132 HD13 LEU 14 HD13 LEU 14 5.680 11.184 -10.469 133 HD21 LEU 14 HD21 LEU 14 7.698 12.886 -10.464 134 HD22 LEU 14 HD22 LEU 14 7.141 14.597 -10.363 135 HD23 LEU 14 HD23 LEU 14 7.648 13.907 -11.951 136 H ARG 15 HN ARG 15 3.228 17.089 -12.748 137 HA ARG 15 HA ARG 15 2.896 16.476 -15.491 138 HB2 ARG 15 HB2 ARG 15 1.193 18.232 -15.538 139 HB3 ARG 15 HB1 ARG 15 0.939 17.047 -14.199 140 HG2 ARG 15 HG2 ARG 15 2.456 18.919 -12.896 141 HG3 ARG 15 HG1 ARG 15 1.649 19.965 -14.108 142 HD2 ARG 15 HD2 ARG 15 0.106 17.957 -12.394 143 HD3 ARG 15 HD1 ARG 15 0.412 19.669 -11.857 144 HE ARG 15 HE ARG 15 -1.399 18.773 -14.046 145 HH11 ARG 15 HH11 ARG 15 0.421 21.428 -12.512 146 HH12 ARG 15 HH12 ARG 15 -0.549 22.689 -13.197 147 HH21 ARG 15 HH21 ARG 15 -2.712 20.489 -14.972 148 HH22 ARG 15 HH22 ARG 15 -2.358 22.145 -14.617 149 H LYS 16 HN LYS 16 4.141 19.169 -13.581 150 HA LYS 16 HA LYS 16 5.965 19.954 -15.516 151 HB2 LYS 16 HB2 LYS 16 4.873 21.925 -16.434 152 HB3 LYS 16 HB1 LYS 16 3.830 20.483 -16.731 153 HG2 LYS 16 HG2 LYS 16 2.117 21.349 -15.603 154 HG3 LYS 16 HG1 LYS 16 3.132 21.667 -14.155 155 HD2 LYS 16 HD2 LYS 16 3.941 23.782 -15.156 156 HD3 LYS 16 HD1 LYS 16 2.977 23.470 -16.641 157 HE2 LYS 16 HE2 LYS 16 0.853 23.616 -15.327 158 HE3 LYS 16 HE1 LYS 16 1.803 23.855 -13.800 159 HZ1 LYS 16 HZ1 LYS 16 1.386 25.670 -16.068 160 HZ2 LYS 16 HZ2 LYS 16 2.835 25.781 -15.191 161 HZ3 LYS 16 HZ3 LYS 16 1.345 25.968 -14.398 162 H LYS 17 HN LYS 17 5.635 19.358 -12.741 163 HA LYS 17 HA LYS 17 6.239 21.974 -11.604 164 HB2 LYS 17 HB2 LYS 17 4.253 19.863 -10.620 165 HB3 LYS 17 HB1 LYS 17 5.084 20.950 -9.438 166 HG2 LYS 17 HG2 LYS 17 4.204 22.950 -10.678 167 HG3 LYS 17 HG1 LYS 17 3.357 21.856 -11.826 168 HD2 LYS 17 HD2 LYS 17 2.055 20.884 -9.906 169 HD3 LYS 17 HD1 LYS 17 2.880 22.021 -8.786 170 HE2 LYS 17 HE2 LYS 17 1.126 22.880 -11.187 171 HE3 LYS 17 HE1 LYS 17 0.586 22.834 -9.457 172 HZ1 LYS 17 HZ1 LYS 17 1.288 24.920 -9.502 173 HZ2 LYS 17 HZ2 LYS 17 2.313 24.704 -10.839 174 HZ3 LYS 17 HZ3 LYS 17 2.835 24.253 -9.288 Start of MODEL 18 1 H1 ALA 1 HT1 ALA 1 -3.167 5.830 4.530 2 H2 ALA 1 HT2 ALA 1 -3.462 4.598 5.661 3 H3 ALA 1 HT3 ALA 1 -4.036 4.443 4.071 4 HA ALA 1 HA ALA 1 -1.237 4.900 4.160 5 HB1 ALA 1 HB1 ALA 1 -2.338 2.331 5.463 6 HB2 ALA 1 HB2 ALA 1 -1.458 3.642 6.336 7 HB3 ALA 1 HB3 ALA 1 -0.600 2.654 5.095 8 H MET 2 HN MET 2 -2.994 5.043 2.039 9 HA MET 2 HA MET 2 -2.422 2.510 0.662 10 HB2 MET 2 HB2 MET 2 -4.832 4.378 0.234 11 HB3 MET 2 HB1 MET 2 -4.449 2.929 -0.762 12 HG2 MET 2 HG2 MET 2 -4.739 1.458 1.226 13 HG3 MET 2 HG1 MET 2 -5.087 2.889 2.248 14 HE1 MET 2 HE1 MET 2 -8.497 1.135 2.205 15 HE2 MET 2 HE2 MET 2 -7.221 1.952 3.170 16 HE3 MET 2 HE3 MET 2 -6.841 0.441 2.273 17 H ARG 3 HN ARG 3 -1.406 2.773 -1.381 18 HA ARG 3 HA ARG 3 -0.805 5.543 -1.966 19 HB2 ARG 3 HB2 ARG 3 0.969 3.577 -1.868 20 HB3 ARG 3 HB1 ARG 3 0.308 3.184 -3.492 21 HG2 ARG 3 HG2 ARG 3 0.681 5.877 -3.792 22 HG3 ARG 3 HG1 ARG 3 1.972 5.524 -2.589 23 HD2 ARG 3 HD2 ARG 3 1.573 3.991 -5.232 24 HD3 ARG 3 HD1 ARG 3 2.791 5.316 -4.978 25 HE ARG 3 HE ARG 3 2.932 2.544 -3.931 26 HH11 ARG 3 HH11 ARG 3 4.026 5.928 -3.665 27 HH12 ARG 3 HH12 ARG 3 5.502 5.544 -2.843 28 HH21 ARG 3 HH21 ARG 3 4.937 2.029 -2.816 29 HH22 ARG 3 HH22 ARG 3 6.027 3.292 -2.353 30 H ILE 4 HN ILE 4 -3.134 5.676 -2.447 31 HA ILE 4 HA ILE 4 -3.503 4.939 -5.253 32 HB ILE 4 HB ILE 4 -5.922 5.184 -4.765 33 HG12 ILE 4 HG12 ILE 4 -4.929 5.222 -1.860 34 HG13 ILE 4 HG11 ILE 4 -5.641 6.608 -2.759 35 HG21 ILE 4 HG21 ILE 4 -4.241 3.043 -3.293 36 HG22 ILE 4 HG22 ILE 4 -4.956 2.931 -4.949 37 HG23 ILE 4 HG23 ILE 4 -6.031 2.911 -3.499 38 HD11 ILE 4 HD11 ILE 4 -7.726 5.019 -3.128 39 HD12 ILE 4 HD12 ILE 4 -7.485 5.786 -1.512 40 HD13 ILE 4 HD13 ILE 4 -7.026 4.060 -1.769 41 H SER 5 HN SER 5 -3.246 7.299 -2.768 42 HA SER 5 HA SER 5 -4.250 9.290 -4.667 43 HB2 SER 5 HB2 SER 5 -4.320 9.414 -1.592 44 HB3 SER 5 HB1 SER 5 -4.778 10.778 -2.688 45 HG SER 5 HG SER 5 -6.101 8.732 -3.564 46 H ARG 6 HN ARG 6 -1.520 8.235 -4.637 47 HA ARG 6 HA ARG 6 -0.293 10.736 -3.983 48 HB2 ARG 6 HB2 ARG 6 0.310 9.409 -2.040 49 HB3 ARG 6 HB1 ARG 6 0.612 7.967 -3.065 50 HG2 ARG 6 HG2 ARG 6 2.688 9.197 -2.177 51 HG3 ARG 6 HG1 ARG 6 2.642 8.860 -3.942 52 HD2 ARG 6 HD2 ARG 6 3.429 11.197 -3.565 53 HD3 ARG 6 HD1 ARG 6 1.778 11.228 -4.334 54 HE ARG 6 HE ARG 6 0.885 12.081 -2.299 55 HH11 ARG 6 HH11 ARG 6 4.258 11.001 -1.881 56 HH12 ARG 6 HH12 ARG 6 4.450 11.710 -0.312 57 HH21 ARG 6 HH21 ARG 6 1.151 13.041 -0.168 58 HH22 ARG 6 HH22 ARG 6 2.653 12.888 0.676 59 H ILE 7 HN ILE 7 -1.421 9.134 -6.288 60 HA ILE 7 HA ILE 7 1.045 9.212 -7.832 61 HB ILE 7 HB ILE 7 -1.422 7.704 -8.664 62 HG12 ILE 7 HG12 ILE 7 0.070 5.711 -7.558 63 HG13 ILE 7 HG11 ILE 7 0.597 7.067 -6.497 64 HG21 ILE 7 HG21 ILE 7 1.611 7.600 -9.261 65 HG22 ILE 7 HG22 ILE 7 0.260 7.958 -10.404 66 HG23 ILE 7 HG23 ILE 7 0.482 6.286 -9.765 67 HD11 ILE 7 HD11 ILE 7 -1.901 5.542 -6.412 68 HD12 ILE 7 HD12 ILE 7 -2.251 7.294 -6.662 69 HD13 ILE 7 HD13 ILE 7 -1.258 6.768 -5.253 70 H ILE 8 HN ILE 8 -1.642 10.662 -6.876 71 HA ILE 8 HA ILE 8 -1.991 12.043 -9.404 72 HB ILE 8 HB ILE 8 -3.933 12.019 -7.085 73 HG12 ILE 8 HG12 ILE 8 -5.136 10.303 -8.812 74 HG13 ILE 8 HG11 ILE 8 -3.412 9.935 -9.188 75 HG21 ILE 8 HG21 ILE 8 -5.526 12.493 -9.156 76 HG22 ILE 8 HG22 ILE 8 -4.001 12.802 -10.069 77 HG23 ILE 8 HG23 ILE 8 -4.411 13.809 -8.628 78 HD11 ILE 8 HD11 ILE 8 -4.979 9.426 -6.628 79 HD12 ILE 8 HD12 ILE 8 -3.232 9.870 -6.461 80 HD13 ILE 8 HD13 ILE 8 -3.712 8.429 -7.435 81 H LEU 9 HN LEU 9 -0.038 12.025 -7.653 82 HA LEU 9 HA LEU 9 0.167 14.732 -6.936 83 HB2 LEU 9 HB2 LEU 9 0.314 12.424 -5.011 84 HB3 LEU 9 HB1 LEU 9 1.612 13.657 -4.932 85 HG LEU 9 HG LEU 9 0.008 14.272 -3.284 86 HD11 LEU 9 HD11 LEU 9 0.222 16.450 -3.866 87 HD12 LEU 9 HD12 LEU 9 -1.164 16.293 -5.010 88 HD13 LEU 9 HD13 LEU 9 0.519 15.980 -5.586 89 HD21 LEU 9 HD21 LEU 9 -2.394 14.616 -5.012 90 HD22 LEU 9 HD22 LEU 9 -2.224 13.842 -3.389 91 HD23 LEU 9 HD23 LEU 9 -1.839 12.901 -4.883 92 H DAS 10 HN DAS 10 0.982 11.410 -7.218 93 HA DAS 10 HA DAS 10 2.727 10.397 -7.999 94 HB2 DAS 10 HB2 DAS 10 4.279 12.998 -8.218 95 HB3 DAS 10 HB1 DAS 10 4.176 12.084 -6.666 96 H PHE 11 HN PHE 11 1.154 13.035 -9.206 97 HA PHE 11 HA PHE 11 2.153 12.599 -11.918 98 HB2 PHE 11 HB2 PHE 11 -0.030 12.098 -12.580 99 HB3 PHE 11 HB1 PHE 11 -0.521 12.204 -10.837 100 HD1 PHE 11 HD1 PHE 11 -0.142 14.101 -13.958 101 HD2 PHE 11 HD2 PHE 11 -1.449 14.014 -9.956 102 HE1 PHE 11 HE1 PHE 11 -1.137 16.280 -14.251 103 HE2 PHE 11 HE2 PHE 11 -2.455 16.140 -10.192 104 HZ PHE 11 HZ PHE 11 -2.373 17.343 -12.374 105 H LEU 12 HN LEU 12 1.109 14.601 -9.172 106 HA LEU 12 HA LEU 12 0.768 17.009 -10.520 107 HB2 LEU 12 HB2 LEU 12 1.273 16.045 -7.793 108 HB3 LEU 12 HB1 LEU 12 1.838 17.728 -8.057 109 HG LEU 12 HG LEU 12 -0.229 17.959 -7.200 110 HD11 LEU 12 HD11 LEU 12 0.112 19.037 -9.574 111 HD12 LEU 12 HD12 LEU 12 -1.535 19.067 -8.833 112 HD13 LEU 12 HD13 LEU 12 -1.138 17.857 -10.109 113 HD21 LEU 12 HD21 LEU 12 -0.793 15.381 -8.569 114 HD22 LEU 12 HD22 LEU 12 -2.210 16.481 -8.303 115 HD23 LEU 12 HD23 LEU 12 -1.195 15.942 -6.910 116 H PHE 13 HN PHE 13 3.653 15.697 -8.852 117 HA PHE 13 HA PHE 13 5.013 18.104 -9.492 118 HB2 PHE 13 HB2 PHE 13 6.555 15.644 -8.602 119 HB3 PHE 13 HB1 PHE 13 6.732 17.369 -8.053 120 HD1 PHE 13 HD1 PHE 13 5.762 14.301 -7.073 121 HD2 PHE 13 HD2 PHE 13 4.403 18.294 -7.268 122 HE1 PHE 13 HE1 PHE 13 4.056 13.810 -5.458 123 HE2 PHE 13 HE2 PHE 13 2.715 17.813 -5.645 124 HZ PHE 13 HZ PHE 13 2.520 15.574 -4.746 125 H LEU 14 HN LEU 14 3.838 15.866 -11.306 126 HA LEU 14 HA LEU 14 6.197 15.536 -12.956 127 HB2 LEU 14 HB2 LEU 14 3.683 13.834 -12.761 128 HB3 LEU 14 HB1 LEU 14 5.043 13.525 -13.910 129 HG LEU 14 HG LEU 14 5.047 13.311 -10.836 130 HD11 LEU 14 HD11 LEU 14 4.316 11.381 -12.508 131 HD12 LEU 14 HD12 LEU 14 5.450 10.998 -11.158 132 HD13 LEU 14 HD13 LEU 14 6.083 11.219 -12.832 133 HD21 LEU 14 HD21 LEU 14 7.588 12.559 -11.349 134 HD22 LEU 14 HD22 LEU 14 7.167 14.286 -11.048 135 HD23 LEU 14 HD23 LEU 14 7.413 13.698 -12.736 136 H ARG 15 HN ARG 15 3.156 17.173 -12.754 137 HA ARG 15 HA ARG 15 2.532 16.793 -15.522 138 HB2 ARG 15 HB2 ARG 15 0.881 18.695 -15.101 139 HB3 ARG 15 HB1 ARG 15 0.591 17.103 -14.314 140 HG2 ARG 15 HG2 ARG 15 0.796 17.954 -12.226 141 HG3 ARG 15 HG1 ARG 15 2.255 18.904 -12.656 142 HD2 ARG 15 HD2 ARG 15 0.927 20.742 -12.450 143 HD3 ARG 15 HD1 ARG 15 0.205 20.232 -14.043 144 HE ARG 15 HE ARG 15 -1.100 18.781 -11.926 145 HH11 ARG 15 HH11 ARG 15 -0.722 22.063 -13.255 146 HH12 ARG 15 HH12 ARG 15 -2.289 22.611 -12.761 147 HH21 ARG 15 HH21 ARG 15 -3.234 19.526 -11.251 148 HH22 ARG 15 HH22 ARG 15 -3.740 21.144 -11.603 149 H LYS 16 HN LYS 16 3.819 19.334 -13.407 150 HA LYS 16 HA LYS 16 5.440 20.364 -15.414 151 HB2 LYS 16 HB2 LYS 16 4.225 22.424 -15.952 152 HB3 LYS 16 HB1 LYS 16 3.263 20.972 -16.420 153 HG2 LYS 16 HG2 LYS 16 1.581 21.448 -15.018 154 HG3 LYS 16 HG1 LYS 16 2.683 21.831 -13.651 155 HD2 LYS 16 HD2 LYS 16 3.111 24.069 -14.571 156 HD3 LYS 16 HD1 LYS 16 2.105 23.707 -16.014 157 HE2 LYS 16 HE2 LYS 16 0.066 23.509 -14.577 158 HE3 LYS 16 HE1 LYS 16 1.070 23.798 -13.095 159 HZ1 LYS 16 HZ1 LYS 16 0.556 25.897 -13.456 160 HZ2 LYS 16 HZ2 LYS 16 0.075 25.645 -15.065 161 HZ3 LYS 16 HZ3 LYS 16 1.717 25.870 -14.695 162 H LYS 17 HN LYS 17 5.480 19.508 -12.720 163 HA LYS 17 HA LYS 17 6.137 22.036 -11.427 164 HB2 LYS 17 HB2 LYS 17 4.206 19.872 -10.503 165 HB3 LYS 17 HB1 LYS 17 5.232 20.680 -9.256 166 HG2 LYS 17 HG2 LYS 17 3.639 22.355 -11.263 167 HG3 LYS 17 HG1 LYS 17 2.826 21.641 -9.825 168 HD2 LYS 17 HD2 LYS 17 4.488 22.776 -8.327 169 HD3 LYS 17 HD1 LYS 17 5.293 23.494 -9.764 170 HE2 LYS 17 HE2 LYS 17 2.321 23.975 -9.059 171 HE3 LYS 17 HE1 LYS 17 3.676 25.075 -8.566 172 HZ1 LYS 17 HZ1 LYS 17 3.957 24.541 -11.282 173 HZ2 LYS 17 HZ2 LYS 17 3.516 25.997 -10.525 174 HZ3 LYS 17 HZ3 LYS 17 2.318 24.900 -11.021 Start of MODEL 19 1 H1 ALA 1 HT1 ALA 1 -0.157 5.404 4.633 2 H2 ALA 1 HT2 ALA 1 -1.574 6.262 4.258 3 H3 ALA 1 HT3 ALA 1 -0.723 5.450 3.032 4 HA ALA 1 HA ALA 1 -1.231 3.545 4.916 5 HB1 ALA 1 HB1 ALA 1 -3.766 3.668 5.125 6 HB2 ALA 1 HB2 ALA 1 -3.702 5.303 4.361 7 HB3 ALA 1 HB3 ALA 1 -2.932 5.029 5.969 8 H MET 2 HN MET 2 -2.815 5.223 2.099 9 HA MET 2 HA MET 2 -2.605 2.645 0.705 10 HB2 MET 2 HB2 MET 2 -4.831 4.750 0.407 11 HB3 MET 2 HB1 MET 2 -4.659 3.265 -0.594 12 HG2 MET 2 HG2 MET 2 -4.985 1.842 1.421 13 HG3 MET 2 HG1 MET 2 -5.114 3.303 2.450 14 HE1 MET 2 HE1 MET 2 -7.111 1.079 2.634 15 HE2 MET 2 HE2 MET 2 -8.689 1.939 2.645 16 HE3 MET 2 HE3 MET 2 -7.280 2.636 3.515 17 H ARG 3 HN ARG 3 -1.702 2.809 -1.400 18 HA ARG 3 HA ARG 3 -0.869 5.513 -2.031 19 HB2 ARG 3 HB2 ARG 3 0.717 3.371 -2.000 20 HB3 ARG 3 HB1 ARG 3 -0.029 3.076 -3.606 21 HG2 ARG 3 HG2 ARG 3 0.606 5.768 -3.789 22 HG3 ARG 3 HG1 ARG 3 1.941 5.158 -2.748 23 HD2 ARG 3 HD2 ARG 3 1.124 3.750 -5.360 24 HD3 ARG 3 HD1 ARG 3 2.371 5.076 -5.307 25 HE ARG 3 HE ARG 3 3.052 3.153 -3.297 26 HH11 ARG 3 HH11 ARG 3 2.715 3.435 -6.830 27 HH12 ARG 3 HH12 ARG 3 3.932 2.259 -7.197 28 HH21 ARG 3 HH21 ARG 3 4.709 1.551 -3.792 29 HH22 ARG 3 HH22 ARG 3 5.084 1.168 -5.438 30 H ILE 4 HN ILE 4 -3.199 5.838 -2.398 31 HA ILE 4 HA ILE 4 -3.773 5.122 -5.174 32 HB ILE 4 HB ILE 4 -6.133 5.567 -4.567 33 HG12 ILE 4 HG12 ILE 4 -4.995 5.554 -1.714 34 HG13 ILE 4 HG11 ILE 4 -5.636 6.985 -2.596 35 HG21 ILE 4 HG21 ILE 4 -6.370 3.325 -3.275 36 HG22 ILE 4 HG22 ILE 4 -4.569 3.311 -3.140 37 HG23 ILE 4 HG23 ILE 4 -5.354 3.240 -4.765 38 HD11 ILE 4 HD11 ILE 4 -7.185 4.544 -1.558 39 HD12 ILE 4 HD12 ILE 4 -7.868 5.627 -2.830 40 HD13 ILE 4 HD13 ILE 4 -7.454 6.292 -1.205 41 H SER 5 HN SER 5 -3.182 7.465 -2.736 42 HA SER 5 HA SER 5 -4.135 9.524 -4.582 43 HB2 SER 5 HB2 SER 5 -4.420 11.046 -2.574 44 HB3 SER 5 HB1 SER 5 -5.518 9.612 -2.517 45 HG SER 5 HG SER 5 -3.128 10.119 -1.102 46 H ARG 6 HN ARG 6 -1.479 8.220 -4.654 47 HA ARG 6 HA ARG 6 -0.037 10.639 -4.136 48 HB2 ARG 6 HB2 ARG 6 0.582 9.309 -2.205 49 HB3 ARG 6 HB1 ARG 6 0.709 7.829 -3.211 50 HG2 ARG 6 HG2 ARG 6 2.922 8.917 -2.473 51 HG3 ARG 6 HG1 ARG 6 2.749 8.531 -4.217 52 HD2 ARG 6 HD2 ARG 6 3.737 10.803 -3.983 53 HD3 ARG 6 HD1 ARG 6 2.042 10.954 -4.638 54 HE ARG 6 HE ARG 6 1.371 11.932 -2.570 55 HH11 ARG 6 HH11 ARG 6 4.668 10.585 -2.360 56 HH12 ARG 6 HH12 ARG 6 5.033 11.318 -0.835 57 HH21 ARG 6 HH21 ARG 6 1.872 12.924 -0.497 58 HH22 ARG 6 HH22 ARG 6 3.417 12.669 0.242 59 H ILE 7 HN ILE 7 -1.414 9.188 -6.358 60 HA ILE 7 HA ILE 7 0.962 9.020 -8.032 61 HB ILE 7 HB ILE 7 -1.663 7.719 -8.720 62 HG12 ILE 7 HG12 ILE 7 -0.303 5.614 -7.663 63 HG13 ILE 7 HG11 ILE 7 0.398 6.924 -6.645 64 HG21 ILE 7 HG21 ILE 7 -0.057 7.806 -10.544 65 HG22 ILE 7 HG22 ILE 7 0.062 6.130 -9.887 66 HG23 ILE 7 HG23 ILE 7 1.316 7.355 -9.464 67 HD11 ILE 7 HD11 ILE 7 -2.378 7.466 -6.614 68 HD12 ILE 7 HD12 ILE 7 -1.403 6.716 -5.298 69 HD13 ILE 7 HD13 ILE 7 -2.272 5.670 -6.487 70 H ILE 8 HN ILE 8 -1.660 10.645 -7.006 71 HA ILE 8 HA ILE 8 -1.993 11.999 -9.547 72 HB ILE 8 HB ILE 8 -3.741 12.257 -7.084 73 HG12 ILE 8 HG12 ILE 8 -5.236 10.610 -8.628 74 HG13 ILE 8 HG11 ILE 8 -3.599 10.070 -9.149 75 HG21 ILE 8 HG21 ILE 8 -4.298 14.013 -8.578 76 HG22 ILE 8 HG22 ILE 8 -5.418 12.725 -9.164 77 HG23 ILE 8 HG23 ILE 8 -3.878 13.049 -10.045 78 HD11 ILE 8 HD11 ILE 8 -3.215 10.108 -6.412 79 HD12 ILE 8 HD12 ILE 8 -3.787 8.661 -7.327 80 HD13 ILE 8 HD13 ILE 8 -4.981 9.714 -6.480 81 H LEU 9 HN LEU 9 -0.234 11.744 -7.110 82 HA LEU 9 HA LEU 9 0.231 14.581 -6.849 83 HB2 LEU 9 HB2 LEU 9 0.593 12.209 -4.990 84 HB3 LEU 9 HB1 LEU 9 1.723 13.594 -4.880 85 HG LEU 9 HG LEU 9 -0.232 13.595 -3.234 86 HD11 LEU 9 HD11 LEU 9 0.795 15.789 -4.967 87 HD12 LEU 9 HD12 LEU 9 0.617 15.712 -3.172 88 HD13 LEU 9 HD13 LEU 9 -0.795 16.167 -4.201 89 HD21 LEU 9 HD21 LEU 9 -1.899 14.511 -5.654 90 HD22 LEU 9 HD22 LEU 9 -2.460 14.129 -3.979 91 HD23 LEU 9 HD23 LEU 9 -1.890 12.802 -5.068 92 H DAS 10 HN DAS 10 0.980 11.290 -7.317 93 HA DAS 10 HA DAS 10 2.734 10.255 -8.066 94 HB2 DAS 10 HB2 DAS 10 4.352 12.807 -8.349 95 HB3 DAS 10 HB1 DAS 10 4.150 12.029 -6.731 96 H PHE 11 HN PHE 11 1.202 12.946 -9.249 97 HA PHE 11 HA PHE 11 2.218 12.490 -11.957 98 HB2 PHE 11 HB2 PHE 11 0.046 12.022 -12.663 99 HB3 PHE 11 HB1 PHE 11 -0.464 12.129 -10.926 100 HD1 PHE 11 HD1 PHE 11 -0.066 14.051 -14.044 101 HD2 PHE 11 HD2 PHE 11 -1.348 13.926 -10.054 102 HE1 PHE 11 HE1 PHE 11 -1.067 16.240 -14.304 103 HE2 PHE 11 HE2 PHE 11 -2.358 16.039 -10.234 104 HZ PHE 11 HZ PHE 11 -2.293 17.276 -12.406 105 H LEU 12 HN LEU 12 1.202 14.448 -9.243 106 HA LEU 12 HA LEU 12 0.900 16.850 -10.603 107 HB2 LEU 12 HB2 LEU 12 1.668 16.012 -7.845 108 HB3 LEU 12 HB1 LEU 12 1.590 17.762 -8.261 109 HG LEU 12 HG LEU 12 -0.569 15.717 -8.502 110 HD11 LEU 12 HD11 LEU 12 -1.116 17.780 -6.573 111 HD12 LEU 12 HD12 LEU 12 0.515 17.050 -6.273 112 HD13 LEU 12 HD13 LEU 12 -0.941 15.994 -6.357 113 HD21 LEU 12 HD21 LEU 12 -0.738 17.528 -10.188 114 HD22 LEU 12 HD22 LEU 12 -0.622 18.759 -8.878 115 HD23 LEU 12 HD23 LEU 12 -2.059 17.669 -8.964 116 H PHE 13 HN PHE 13 3.779 15.437 -8.992 117 HA PHE 13 HA PHE 13 5.101 17.907 -9.521 118 HB2 PHE 13 HB2 PHE 13 6.666 15.449 -8.660 119 HB3 PHE 13 HB1 PHE 13 6.831 17.168 -8.091 120 HD1 PHE 13 HD1 PHE 13 6.015 14.146 -7.008 121 HD2 PHE 13 HD2 PHE 13 4.353 18.009 -7.440 122 HE1 PHE 13 HE1 PHE 13 4.314 13.616 -5.398 123 HE2 PHE 13 HE2 PHE 13 2.663 17.473 -5.846 124 HZ PHE 13 HZ PHE 13 2.638 15.296 -4.820 125 H LEU 14 HN LEU 14 3.920 15.826 -11.388 126 HA LEU 14 HA LEU 14 6.254 15.498 -13.066 127 HB2 LEU 14 HB2 LEU 14 3.744 13.782 -12.922 128 HB3 LEU 14 HB1 LEU 14 5.154 13.478 -14.010 129 HG LEU 14 HG LEU 14 5.055 13.308 -10.928 130 HD11 LEU 14 HD11 LEU 14 6.018 11.140 -12.895 131 HD12 LEU 14 HD12 LEU 14 4.265 11.362 -12.533 132 HD13 LEU 14 HD13 LEU 14 5.420 10.967 -11.202 133 HD21 LEU 14 HD21 LEU 14 7.227 14.099 -11.028 134 HD22 LEU 14 HD22 LEU 14 7.438 13.692 -12.773 135 HD23 LEU 14 HD23 LEU 14 7.594 12.404 -11.520 136 H ARG 15 HN ARG 15 3.294 17.191 -12.728 137 HA ARG 15 HA ARG 15 2.565 16.885 -15.501 138 HB2 ARG 15 HB2 ARG 15 0.873 18.684 -14.981 139 HB3 ARG 15 HB1 ARG 15 0.672 17.093 -14.159 140 HG2 ARG 15 HG2 ARG 15 0.956 17.981 -12.096 141 HG3 ARG 15 HG1 ARG 15 2.351 18.985 -12.612 142 HD2 ARG 15 HD2 ARG 15 0.916 20.744 -12.301 143 HD3 ARG 15 HD1 ARG 15 0.234 20.241 -13.914 144 HE ARG 15 HE ARG 15 -1.023 18.677 -11.852 145 HH11 ARG 15 HH11 ARG 15 -0.776 22.010 -13.078 146 HH12 ARG 15 HH12 ARG 15 -2.368 22.477 -12.583 147 HH21 ARG 15 HH21 ARG 15 -3.192 19.309 -11.177 148 HH22 ARG 15 HH22 ARG 15 -3.765 20.914 -11.483 149 H LYS 16 HN LYS 16 4.314 19.064 -13.402 150 HA LYS 16 HA LYS 16 5.576 20.402 -15.380 151 HB2 LYS 16 HB2 LYS 16 4.323 22.492 -15.715 152 HB3 LYS 16 HB1 LYS 16 3.245 21.109 -16.124 153 HG2 LYS 16 HG2 LYS 16 1.750 22.185 -14.817 154 HG3 LYS 16 HG1 LYS 16 2.626 21.362 -13.486 155 HD2 LYS 16 HD2 LYS 16 2.778 23.488 -12.626 156 HD3 LYS 16 HD1 LYS 16 4.182 23.616 -13.742 157 HE2 LYS 16 HE2 LYS 16 2.738 24.690 -15.476 158 HE3 LYS 16 HE1 LYS 16 1.291 24.511 -14.398 159 HZ1 LYS 16 HZ1 LYS 16 2.720 26.680 -14.476 160 HZ2 LYS 16 HZ2 LYS 16 3.673 25.855 -13.338 161 HZ3 LYS 16 HZ3 LYS 16 2.025 26.124 -13.030 162 H LYS 17 HN LYS 17 3.905 20.297 -12.305 163 HA LYS 17 HA LYS 17 5.216 22.378 -11.025 164 HB2 LYS 17 HB2 LYS 17 3.989 19.738 -10.071 165 HB3 LYS 17 HB1 LYS 17 4.664 20.959 -8.917 166 HG2 LYS 17 HG2 LYS 17 3.077 22.679 -9.834 167 HG3 LYS 17 HG1 LYS 17 2.400 21.446 -10.954 168 HD2 LYS 17 HD2 LYS 17 1.691 20.060 -8.999 169 HD3 LYS 17 HD1 LYS 17 2.385 21.279 -7.876 170 HE2 LYS 17 HE2 LYS 17 0.766 23.001 -8.733 171 HE3 LYS 17 HE1 LYS 17 0.069 21.773 -9.871 172 HZ1 LYS 17 HZ1 LYS 17 -0.545 22.229 -7.188 173 HZ2 LYS 17 HZ2 LYS 17 0.152 20.684 -7.289 174 HZ3 LYS 17 HZ3 LYS 17 -1.194 21.073 -8.250 Start of MODEL 20 1 H1 ALA 1 HT1 ALA 1 -0.205 5.931 3.536 2 H2 ALA 1 HT2 ALA 1 -1.881 5.655 3.536 3 H3 ALA 1 HT3 ALA 1 -1.017 5.640 2.073 4 HA ALA 1 HA ALA 1 0.330 3.789 3.285 5 HB1 ALA 1 HB1 ALA 1 -0.971 3.957 5.418 6 HB2 ALA 1 HB2 ALA 1 -1.235 2.344 4.654 7 HB3 ALA 1 HB3 ALA 1 -2.495 3.628 4.509 8 H MET 2 HN MET 2 -3.058 4.269 2.085 9 HA MET 2 HA MET 2 -3.142 1.800 0.732 10 HB2 MET 2 HB2 MET 2 -5.160 3.361 1.266 11 HB3 MET 2 HB1 MET 2 -4.589 4.380 -0.108 12 HG2 MET 2 HG2 MET 2 -6.347 2.927 -0.926 13 HG3 MET 2 HG1 MET 2 -4.792 2.391 -1.633 14 HE1 MET 2 HE1 MET 2 -6.580 1.658 2.024 15 HE2 MET 2 HE2 MET 2 -7.621 0.361 1.342 16 HE3 MET 2 HE3 MET 2 -7.650 2.008 0.623 17 H ARG 3 HN ARG 3 -2.145 5.120 -0.099 18 HA ARG 3 HA ARG 3 -1.057 5.974 -1.749 19 HB2 ARG 3 HB2 ARG 3 0.593 4.026 -1.120 20 HB3 ARG 3 HB1 ARG 3 0.021 3.310 -2.670 21 HG2 ARG 3 HG2 ARG 3 1.733 4.562 -3.554 22 HG3 ARG 3 HG1 ARG 3 0.463 5.837 -3.523 23 HD2 ARG 3 HD2 ARG 3 2.467 6.838 -2.578 24 HD3 ARG 3 HD1 ARG 3 1.367 6.493 -1.171 25 HE ARG 3 HE ARG 3 3.076 4.209 -1.621 26 HH11 ARG 3 HH11 ARG 3 3.127 7.600 -0.533 27 HH12 ARG 3 HH12 ARG 3 4.469 7.397 0.542 28 HH21 ARG 3 HH21 ARG 3 4.900 3.930 -0.158 29 HH22 ARG 3 HH22 ARG 3 5.495 5.273 0.759 30 H ILE 4 HN ILE 4 -3.411 6.007 -2.379 31 HA ILE 4 HA ILE 4 -3.442 5.070 -5.149 32 HB ILE 4 HB ILE 4 -5.929 5.264 -4.919 33 HG12 ILE 4 HG12 ILE 4 -5.201 5.314 -1.935 34 HG13 ILE 4 HG11 ILE 4 -5.816 6.709 -2.888 35 HG21 ILE 4 HG21 ILE 4 -4.199 3.197 -3.431 36 HG22 ILE 4 HG22 ILE 4 -5.026 3.035 -5.030 37 HG23 ILE 4 HG23 ILE 4 -5.994 3.003 -3.507 38 HD11 ILE 4 HD11 ILE 4 -7.990 5.982 -2.801 39 HD12 ILE 4 HD12 ILE 4 -7.420 4.949 -1.436 40 HD13 ILE 4 HD13 ILE 4 -7.538 4.261 -3.100 41 H SER 5 HN SER 5 -3.491 7.556 -2.800 42 HA SER 5 HA SER 5 -4.456 9.397 -4.865 43 HB2 SER 5 HB2 SER 5 -4.720 9.714 -1.813 44 HB3 SER 5 HB1 SER 5 -5.200 10.962 -3.031 45 HG SER 5 HG SER 5 -6.375 8.852 -3.857 46 H ARG 6 HN ARG 6 -1.681 8.360 -4.300 47 HA ARG 6 HA ARG 6 -0.594 11.000 -3.920 48 HB2 ARG 6 HB2 ARG 6 -0.052 9.819 -1.842 49 HB3 ARG 6 HB1 ARG 6 0.393 8.344 -2.763 50 HG2 ARG 6 HG2 ARG 6 2.317 9.840 -1.834 51 HG3 ARG 6 HG1 ARG 6 2.426 9.259 -3.529 52 HD2 ARG 6 HD2 ARG 6 3.046 11.671 -3.439 53 HD3 ARG 6 HD1 ARG 6 1.460 11.488 -4.316 54 HE ARG 6 HE ARG 6 0.365 12.547 -2.485 55 HH11 ARG 6 HH11 ARG 6 3.757 11.772 -1.700 56 HH12 ARG 6 HH12 ARG 6 3.790 12.705 -0.241 57 HH21 ARG 6 HH21 ARG 6 0.416 13.811 -0.504 58 HH22 ARG 6 HH22 ARG 6 1.859 13.882 0.450 59 H ILE 7 HN ILE 7 -1.653 9.433 -6.093 60 HA ILE 7 HA ILE 7 0.816 9.176 -7.599 61 HB ILE 7 HB ILE 7 -1.348 7.964 -8.980 62 HG12 ILE 7 HG12 ILE 7 -2.396 7.971 -6.649 63 HG13 ILE 7 HG11 ILE 7 -2.295 6.379 -7.478 64 HG21 ILE 7 HG21 ILE 7 0.115 5.845 -8.514 65 HG22 ILE 7 HG22 ILE 7 1.197 6.941 -7.574 66 HG23 ILE 7 HG23 ILE 7 0.927 7.233 -9.333 67 HD11 ILE 7 HD11 ILE 7 -1.544 6.784 -4.870 68 HD12 ILE 7 HD12 ILE 7 0.036 7.091 -5.682 69 HD13 ILE 7 HD13 ILE 7 -0.808 5.513 -5.918 70 H ILE 8 HN ILE 8 -1.880 10.877 -6.812 71 HA ILE 8 HA ILE 8 -1.999 12.110 -9.430 72 HB ILE 8 HB ILE 8 -4.120 12.206 -7.272 73 HG12 ILE 8 HG12 ILE 8 -5.190 10.468 -9.088 74 HG13 ILE 8 HG11 ILE 8 -3.444 10.055 -9.250 75 HG21 ILE 8 HG21 ILE 8 -4.557 13.943 -8.843 76 HG22 ILE 8 HG22 ILE 8 -5.498 12.585 -9.568 77 HG23 ILE 8 HG23 ILE 8 -3.874 13.011 -10.227 78 HD11 ILE 8 HD11 ILE 8 -3.438 9.943 -6.598 79 HD12 ILE 8 HD12 ILE 8 -4.186 8.583 -7.526 80 HD13 ILE 8 HD13 ILE 8 -5.237 9.831 -6.761 81 H LEU 9 HN LEU 9 -0.168 12.247 -7.579 82 HA LEU 9 HA LEU 9 -0.046 14.983 -7.029 83 HB2 LEU 9 HB2 LEU 9 -0.296 12.897 -4.918 84 HB3 LEU 9 HB1 LEU 9 1.164 13.934 -4.791 85 HG LEU 9 HG LEU 9 -0.483 14.944 -3.391 86 HD11 LEU 9 HD11 LEU 9 0.170 16.977 -4.149 87 HD12 LEU 9 HD12 LEU 9 -1.198 16.953 -5.322 88 HD13 LEU 9 HD13 LEU 9 0.422 16.331 -5.816 89 HD21 LEU 9 HD21 LEU 9 -2.368 13.688 -5.007 90 HD22 LEU 9 HD22 LEU 9 -2.616 15.425 -5.432 91 HD23 LEU 9 HD23 LEU 9 -2.742 14.889 -3.711 92 H DAS 10 HN DAS 10 0.792 11.659 -6.966 93 HA DAS 10 HA DAS 10 2.627 10.619 -7.477 94 HB2 DAS 10 HB2 DAS 10 4.227 13.162 -7.918 95 HB3 DAS 10 HB1 DAS 10 3.938 12.561 -6.243 96 H PHE 11 HN PHE 11 1.094 13.073 -9.048 97 HA PHE 11 HA PHE 11 2.322 12.411 -11.623 98 HB2 PHE 11 HB2 PHE 11 0.191 11.873 -12.416 99 HB3 PHE 11 HB1 PHE 11 -0.433 12.127 -10.734 100 HD1 PHE 11 HD1 PHE 11 0.193 13.750 -13.967 101 HD2 PHE 11 HD2 PHE 11 -1.403 14.013 -10.077 102 HE1 PHE 11 HE1 PHE 11 -0.769 15.897 -14.519 103 HE2 PHE 11 HE2 PHE 11 -2.378 16.110 -10.573 104 HZ PHE 11 HZ PHE 11 -2.132 17.114 -12.837 105 H LEU 12 HN LEU 12 1.104 14.660 -9.164 106 HA LEU 12 HA LEU 12 0.875 16.928 -10.752 107 HB2 LEU 12 HB2 LEU 12 1.171 16.219 -7.921 108 HB3 LEU 12 HB1 LEU 12 1.778 17.867 -8.291 109 HG LEU 12 HG LEU 12 -0.338 18.200 -7.619 110 HD11 LEU 12 HD11 LEU 12 -1.533 19.128 -9.450 111 HD12 LEU 12 HD12 LEU 12 -1.022 17.809 -10.568 112 HD13 LEU 12 HD13 LEU 12 0.170 19.052 -10.041 113 HD21 LEU 12 HD21 LEU 12 -1.359 16.232 -7.190 114 HD22 LEU 12 HD22 LEU 12 -0.852 15.498 -8.754 115 HD23 LEU 12 HD23 LEU 12 -2.265 16.632 -8.700 116 H PHE 13 HN PHE 13 3.630 15.802 -8.752 117 HA PHE 13 HA PHE 13 5.061 18.121 -9.547 118 HB2 PHE 13 HB2 PHE 13 6.526 15.774 -8.306 119 HB3 PHE 13 HB1 PHE 13 6.660 17.545 -7.915 120 HD1 PHE 13 HD1 PHE 13 5.648 14.587 -6.695 121 HD2 PHE 13 HD2 PHE 13 4.263 18.511 -7.409 122 HE1 PHE 13 HE1 PHE 13 3.833 14.239 -5.164 123 HE2 PHE 13 HE2 PHE 13 2.464 18.169 -5.874 124 HZ PHE 13 HZ PHE 13 2.227 16.032 -4.762 125 H LEU 14 HN LEU 14 3.980 15.792 -11.234 126 HA LEU 14 HA LEU 14 6.442 15.298 -12.683 127 HB2 LEU 14 HB2 LEU 14 3.921 13.598 -12.512 128 HB3 LEU 14 HB1 LEU 14 5.359 13.204 -13.531 129 HG LEU 14 HG LEU 14 5.159 13.262 -10.455 130 HD11 LEU 14 HD11 LEU 14 5.573 10.922 -10.545 131 HD12 LEU 14 HD12 LEU 14 6.265 10.990 -12.209 132 HD13 LEU 14 HD13 LEU 14 4.490 11.192 -11.964 133 HD21 LEU 14 HD21 LEU 14 7.726 12.417 -10.800 134 HD22 LEU 14 HD22 LEU 14 7.306 14.156 -10.576 135 HD23 LEU 14 HD23 LEU 14 7.625 13.510 -12.230 136 H ARG 15 HN ARG 15 3.442 16.980 -12.771 137 HA ARG 15 HA ARG 15 2.952 16.380 -15.543 138 HB2 ARG 15 HB2 ARG 15 1.221 18.195 -15.375 139 HB3 ARG 15 HB1 ARG 15 0.961 16.724 -14.369 140 HG2 ARG 15 HG2 ARG 15 1.084 17.880 -12.425 141 HG3 ARG 15 HG1 ARG 15 2.515 18.822 -12.964 142 HD2 ARG 15 HD2 ARG 15 0.966 20.548 -12.872 143 HD3 ARG 15 HD1 ARG 15 0.637 19.964 -14.566 144 HE ARG 15 HE ARG 15 -0.994 18.456 -12.741 145 HH11 ARG 15 HH11 ARG 15 -0.549 21.741 -14.041 146 HH12 ARG 15 HH12 ARG 15 -2.217 22.190 -13.903 147 HH21 ARG 15 HH21 ARG 15 -3.266 19.067 -12.550 148 HH22 ARG 15 HH22 ARG 15 -3.786 20.644 -13.040 149 H LYS 16 HN LYS 16 4.528 18.790 -13.564 150 HA LYS 16 HA LYS 16 5.958 19.911 -15.559 151 HB2 LYS 16 HB2 LYS 16 4.738 21.925 -16.255 152 HB3 LYS 16 HB1 LYS 16 3.690 20.498 -16.578 153 HG2 LYS 16 HG2 LYS 16 2.097 21.714 -15.542 154 HG3 LYS 16 HG1 LYS 16 2.859 21.074 -14.051 155 HD2 LYS 16 HD2 LYS 16 2.914 23.305 -13.473 156 HD3 LYS 16 HD1 LYS 16 4.438 23.277 -14.427 157 HE2 LYS 16 HE2 LYS 16 3.200 24.090 -16.452 158 HE3 LYS 16 HE1 LYS 16 1.655 24.100 -15.504 159 HZ1 LYS 16 HZ1 LYS 16 2.575 25.727 -14.052 160 HZ2 LYS 16 HZ2 LYS 16 2.763 26.259 -15.654 161 HZ3 LYS 16 HZ3 LYS 16 4.097 25.647 -14.800 162 H LYS 17 HN LYS 17 4.012 20.131 -12.661 163 HA LYS 17 HA LYS 17 5.174 22.363 -11.503 164 HB2 LYS 17 HB2 LYS 17 3.925 19.799 -10.365 165 HB3 LYS 17 HB1 LYS 17 4.429 21.183 -9.316 166 HG2 LYS 17 HG2 LYS 17 2.441 21.428 -11.656 167 HG3 LYS 17 HG1 LYS 17 1.949 21.124 -9.953 168 HD2 LYS 17 HD2 LYS 17 3.107 23.272 -9.278 169 HD3 LYS 17 HD1 LYS 17 3.495 23.577 -11.007 170 HE2 LYS 17 HE2 LYS 17 1.045 23.635 -11.556 171 HE3 LYS 17 HE1 LYS 17 0.651 23.320 -9.814 172 HZ1 LYS 17 HZ1 LYS 17 1.152 25.397 -9.263 173 HZ2 LYS 17 HZ2 LYS 17 0.890 25.730 -10.907 174 HZ3 LYS 17 HZ3 LYS 17 2.471 25.523 -10.324
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