NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
643138 | 6g4x | 34254 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PHE 1 HN PHE 1 1.882 -0.003 -0.212 2 HA PHE 1 HA PHE 1 4.266 1.161 0.599 3 HB2 PHE 1 HB1 PHE 1 3.575 -0.038 2.765 4 HB3 PHE 1 HB2 PHE 1 3.604 -1.589 1.860 5 HD1 PHE 1 HD1 PHE 1 5.360 -2.789 2.770 6 HD2 PHE 1 HD2 PHE 1 6.018 1.378 1.935 7 HE1 PHE 1 HE1 PHE 1 7.724 -3.019 3.466 8 HE2 PHE 1 HE2 PHE 1 8.384 1.134 2.585 9 HZ PHE 1 HZ PHE 1 9.243 -1.056 3.366 10 H LEU 2 HN LEU 2 6.148 -0.051 -0.457 11 HA LEU 2 HA LEU 2 5.384 -0.708 -3.045 12 HB2 LEU 2 HB1 LEU 2 8.055 -1.120 -1.594 13 HB3 LEU 2 HB2 LEU 2 7.816 -1.420 -3.342 14 HG LEU 2 HG LEU 2 7.108 1.003 -3.617 15 HD11 LEU 2 HD11 LEU 2 8.325 1.274 -0.787 16 HD12 LEU 2 HD12 LEU 2 6.657 1.761 -1.307 17 HD13 LEU 2 HD13 LEU 2 8.086 2.632 -1.943 18 HD21 LEU 2 HD21 LEU 2 9.475 1.770 -3.704 19 HD22 LEU 2 HD22 LEU 2 9.316 0.084 -4.312 20 HD23 LEU 2 HD23 LEU 2 9.975 0.390 -2.660 21 HA PRO 3 HA PRO 3 4.182 -4.784 -2.389 22 HB2 PRO 3 HB1 PRO 3 4.325 -6.002 -4.947 23 HB3 PRO 3 HB2 PRO 3 3.099 -4.778 -4.452 24 HG2 PRO 3 HG1 PRO 3 5.742 -4.263 -5.922 25 HG3 PRO 3 HG2 PRO 3 4.087 -3.672 -6.354 26 HD2 PRO 3 HD1 PRO 3 5.804 -2.055 -4.965 27 HD3 PRO 3 HD2 PRO 3 4.054 -2.144 -4.462 28 H ILE 4 HN ILE 4 7.345 -4.720 -4.090 29 HA ILE 4 HA ILE 4 8.078 -7.329 -3.300 30 HB ILE 4 HB ILE 4 9.169 -6.214 -5.114 31 HG12 ILE 4 HG11 ILE 4 11.184 -6.785 -2.858 32 HG13 ILE 4 HG12 ILE 4 10.298 -8.040 -3.780 33 HG21 ILE 4 HG21 ILE 4 9.146 -3.841 -4.179 34 HG22 ILE 4 HG22 ILE 4 10.495 -4.316 -3.067 35 HG23 ILE 4 HG23 ILE 4 10.729 -4.347 -4.841 36 HD11 ILE 4 HD1 ILE 4 11.326 -7.177 -5.928 37 HD12 ILE 4 HD2 ILE 4 12.277 -5.982 -4.974 38 HD13 ILE 4 HD3 ILE 4 12.556 -7.741 -4.743 39 H LEU 5 HN LEU 5 8.598 -4.185 -1.646 40 HA LEU 5 HA LEU 5 10.002 -5.298 0.549 41 HB2 LEU 5 HB1 LEU 5 8.383 -2.695 0.392 42 HB3 LEU 5 HB2 LEU 5 9.607 -3.112 1.634 43 HG LEU 5 HG LEU 5 10.135 -2.637 -1.357 44 HD11 LEU 5 HD11 LEU 5 11.323 -0.609 -0.572 45 HD12 LEU 5 HD12 LEU 5 10.918 -1.005 1.139 46 HD13 LEU 5 HD13 LEU 5 9.606 -0.578 -0.020 47 HD21 LEU 5 HD21 LEU 5 11.753 -4.337 -0.520 48 HD22 LEU 5 HD22 LEU 5 12.119 -3.302 0.915 49 HD23 LEU 5 HD23 LEU 5 12.567 -2.751 -0.739 50 H ALA 6 HN ALA 6 6.533 -4.543 0.036 51 HA ALA 6 HA ALA 6 5.599 -5.367 2.527 52 HB1 ALA 6 HB1 ALA 6 4.233 -5.502 -0.230 53 HB2 ALA 6 HB2 ALA 6 3.390 -5.521 1.365 54 HB3 ALA 6 HB3 ALA 6 4.285 -4.052 0.827 55 H SER 7 HN SER 7 6.133 -7.304 -0.459 56 HA SER 7 HA SER 7 5.236 -9.758 0.504 57 HB2 SER 7 HB1 SER 7 5.778 -9.352 -1.879 58 HB3 SER 7 HB2 SER 7 7.514 -9.186 -1.483 59 HG SER 7 HG1 SER 7 6.652 -11.279 -2.298 60 H LEU 8 HN LEU 8 8.565 -8.337 0.839 61 HA LEU 8 HA LEU 8 9.530 -10.536 2.395 62 HB2 LEU 8 HB1 LEU 8 10.434 -7.676 1.890 63 HB3 LEU 8 HB2 LEU 8 11.162 -8.607 3.231 64 HG LEU 8 HG LEU 8 11.843 -10.414 1.675 65 HD11 LEU 8 HD11 LEU 8 11.988 -9.983 -0.773 66 HD12 LEU 8 HD12 LEU 8 11.058 -8.460 -0.578 67 HD13 LEU 8 HD13 LEU 8 10.262 -10.049 -0.258 68 HD21 LEU 8 HD21 LEU 8 13.396 -8.593 2.401 69 HD22 LEU 8 HD22 LEU 8 12.890 -7.597 0.985 70 HD23 LEU 8 HD23 LEU 8 13.767 -9.147 0.726 71 H ALA 9 HN ALA 9 8.140 -7.338 3.389 72 HA ALA 9 HA ALA 9 8.501 -7.722 6.106 73 HB1 ALA 9 HB1 ALA 9 6.374 -6.058 4.629 74 HB2 ALA 9 HB2 ALA 9 6.901 -5.810 6.341 75 HB3 ALA 9 HB3 ALA 9 8.054 -5.528 4.985 76 H ALA 10 HN ALA 10 5.550 -8.510 4.179 77 HA ALA 10 HA ALA 10 4.012 -9.396 6.355 78 HB1 ALA 10 HB1 ALA 10 2.603 -10.468 4.573 79 HB2 ALA 10 HB2 ALA 10 3.073 -8.789 4.124 80 HB3 ALA 10 HB3 ALA 10 3.927 -10.179 3.377 81 H LYS 11 HN LYS 11 6.212 -11.125 4.172 82 HA LYS 11 HA LYS 11 5.706 -13.735 5.113 83 HB2 LYS 11 HB1 LYS 11 6.509 -13.197 2.907 84 HB3 LYS 11 HB2 LYS 11 7.995 -12.424 3.570 85 HG2 LYS 11 HG1 LYS 11 8.976 -14.514 4.139 86 HG3 LYS 11 HG2 LYS 11 7.424 -15.388 4.069 87 HD2 LYS 11 HD1 LYS 11 8.999 -15.883 2.183 88 HD3 LYS 11 HD2 LYS 11 7.361 -15.417 1.673 89 HE2 LYS 11 HE1 LYS 11 9.679 -13.354 1.717 90 HE3 LYS 11 HE2 LYS 11 9.446 -14.509 0.348 91 HZ1 LYS 11 HZ1 LYS 11 7.111 -13.649 0.206 92 HZ2 LYS 11 HZ2 LYS 11 8.294 -12.530 -0.220 93 HZ3 LYS 11 HZ3 LYS 11 7.546 -12.415 1.263 94 H PHE 12 HN PHE 12 8.166 -11.320 6.150 95 HA PHE 12 HA PHE 12 9.307 -13.293 7.968 96 HB2 PHE 12 HB1 PHE 12 10.025 -10.354 7.446 97 HB3 PHE 12 HB2 PHE 12 10.992 -11.506 8.448 98 HD1 PHE 12 HD1 PHE 12 10.744 -13.995 6.554 99 HD2 PHE 12 HD2 PHE 12 11.682 -9.849 5.881 100 HE1 PHE 12 HE1 PHE 12 12.066 -14.614 4.580 101 HE2 PHE 12 HE2 PHE 12 13.038 -10.485 3.911 102 HZ PHE 12 HZ PHE 12 13.219 -12.867 3.246 103 H GLY 13 HN GLY 13 6.555 -11.620 8.274 104 HA2 GLY 13 HA1 GLY 13 5.335 -12.021 10.200 105 HA3 GLY 13 HA2 GLY 13 6.825 -11.980 11.170 106 HA PRO 14 HA PRO 14 5.680 -7.495 10.731 107 HB2 PRO 14 HB1 PRO 14 3.142 -6.671 9.911 108 HB3 PRO 14 HB2 PRO 14 4.417 -7.185 8.741 109 HG2 PRO 14 HG1 PRO 14 2.178 -8.949 9.892 110 HG3 PRO 14 HG2 PRO 14 2.600 -8.679 8.151 111 HD2 PRO 14 HD1 PRO 14 3.600 -10.852 9.507 112 HD3 PRO 14 HD2 PRO 14 4.672 -9.916 8.375 113 H LYS 15 HN LYS 15 3.560 -9.830 12.174 114 HA LYS 15 HA LYS 15 2.279 -8.072 13.967 115 HB2 LYS 15 HB1 LYS 15 1.436 -10.375 13.442 116 HB3 LYS 15 HB2 LYS 15 2.746 -11.040 14.460 117 HG2 LYS 15 HG1 LYS 15 0.695 -10.950 15.764 118 HG3 LYS 15 HG2 LYS 15 1.812 -9.752 16.447 119 HD2 LYS 15 HD1 LYS 15 0.184 -8.387 14.411 120 HD3 LYS 15 HD2 LYS 15 -0.890 -9.454 15.332 121 HE2 LYS 15 HE1 LYS 15 -0.970 -7.284 16.397 122 HE3 LYS 15 HE2 LYS 15 -0.068 -8.389 17.505 123 HZ1 LYS 15 HZ1 LYS 15 2.005 -7.439 16.582 124 HZ2 LYS 15 HZ2 LYS 15 1.031 -6.263 17.315 125 HZ3 LYS 15 HZ3 LYS 15 1.150 -6.382 15.637 126 H LEU 16 HN LEU 16 5.386 -9.897 14.370 127 HA LEU 16 HA LEU 16 5.758 -8.962 17.027 128 HB2 LEU 16 HB1 LEU 16 8.116 -9.649 16.783 129 HB3 LEU 16 HB2 LEU 16 6.933 -10.942 16.502 130 HG LEU 16 HG LEU 16 7.858 -9.511 14.010 131 HD11 LEU 16 HD11 LEU 16 9.999 -10.762 13.931 132 HD12 LEU 16 HD12 LEU 16 9.744 -11.340 15.618 133 HD13 LEU 16 HD13 LEU 16 9.985 -9.576 15.291 134 HD21 LEU 16 HD21 LEU 16 7.936 -11.847 13.153 135 HD22 LEU 16 HD22 LEU 16 6.339 -11.527 13.921 136 HD23 LEU 16 HD23 LEU 16 7.591 -12.491 14.795 137 H PHE 17 HN PHE 17 6.793 -7.632 13.837 138 HA PHE 17 HA PHE 17 8.247 -5.496 14.965 139 HB2 PHE 17 HB1 PHE 17 8.273 -6.323 12.511 140 HB3 PHE 17 HB2 PHE 17 6.738 -5.421 12.273 141 HD1 PHE 17 HD1 PHE 17 6.753 -2.888 12.645 142 HD2 PHE 17 HD2 PHE 17 10.367 -5.215 12.565 143 HE1 PHE 17 HE1 PHE 17 8.071 -0.825 12.346 144 HE2 PHE 17 HE2 PHE 17 11.687 -3.138 12.253 145 HZ PHE 17 HZ PHE 17 10.538 -0.942 12.149 146 H SER 18 HN SER 18 4.791 -5.648 13.986 147 HA SER 18 HA SER 18 4.279 -2.958 14.533 148 HB2 SER 18 HB1 SER 18 1.817 -3.544 14.530 149 HB3 SER 18 HB2 SER 18 2.747 -4.008 13.077 150 HG SER 18 HG1 SER 18 2.726 -6.044 13.634 151 H LEU 19 HN LEU 19 4.281 -5.608 16.943 152 HA LEU 19 HA LEU 19 2.508 -4.213 18.654 153 HB2 LEU 19 HB1 LEU 19 2.835 -5.834 20.325 154 HB3 LEU 19 HB2 LEU 19 2.752 -6.639 18.736 155 HG LEU 19 HG LEU 19 5.484 -6.406 18.992 156 HD11 LEU 19 HD11 LEU 19 6.119 -6.961 21.325 157 HD12 LEU 19 HD12 LEU 19 4.396 -6.932 21.844 158 HD13 LEU 19 HD13 LEU 19 5.199 -5.408 21.347 159 HD21 LEU 19 HD21 LEU 19 4.158 -8.485 18.453 160 HD22 LEU 19 HD22 LEU 19 3.726 -8.640 20.200 161 HD23 LEU 19 HD23 LEU 19 5.441 -8.793 19.684 162 H VAL 20 HN VAL 20 6.126 -4.032 18.627 163 HA VAL 20 HA VAL 20 5.840 -1.881 20.639 164 HB VAL 20 HB VAL 20 8.503 -2.775 19.498 165 HG11 VAL 20 HG11 VAL 20 8.398 -0.741 21.033 166 HG12 VAL 20 HG12 VAL 20 7.545 -1.744 22.266 167 HG13 VAL 20 HG13 VAL 20 9.243 -2.122 21.819 168 HG21 VAL 20 HG21 VAL 20 6.941 -4.190 21.748 169 HG22 VAL 20 HG22 VAL 20 7.456 -4.926 20.171 170 HG23 VAL 20 HG23 VAL 20 8.683 -4.425 21.380 171 H THR 21 HN THR 21 5.324 -2.116 17.508 172 HA THR 21 HA THR 21 5.906 -1.327 15.561 173 HB THR 21 HB THR 21 4.228 0.174 16.280 174 HG1 THR 21 HG1 THR 21 4.643 1.656 14.628 175 HG21 THR 21 HG21 THR 21 6.473 2.253 16.708 176 HG22 THR 21 HG22 THR 21 5.520 1.468 18.042 177 HG23 THR 21 HG23 THR 21 4.700 2.515 16.833 178 H LYS 22 HN LYS 22 7.909 -2.399 16.054 179 HA LYS 22 HA LYS 22 10.325 -1.514 15.150 180 HB2 LYS 22 HB1 LYS 22 9.732 -0.714 18.036 181 HB3 LYS 22 HB2 LYS 22 11.332 -1.427 17.759 182 HG2 LYS 22 HG1 LYS 22 12.136 0.267 16.413 183 HG3 LYS 22 HG2 LYS 22 10.550 0.989 16.058 184 HD2 LYS 22 HD1 LYS 22 11.411 0.809 18.987 185 HD3 LYS 22 HD2 LYS 22 12.286 1.959 17.944 186 HE2 LYS 22 HE1 LYS 22 10.374 3.018 19.220 187 HE3 LYS 22 HE2 LYS 22 10.301 3.240 17.429 188 HZ1 LYS 22 HZ1 LYS 22 8.735 1.149 18.902 189 HZ2 LYS 22 HZ2 LYS 22 8.694 1.508 17.284 190 HZ3 LYS 22 HZ3 LYS 22 8.147 2.646 18.398 191 H LYS 23 HN LYS 23 11.368 -3.566 14.945 192 HA LYS 23 HA LYS 23 11.756 -4.915 17.413 193 HB2 LYS 23 HB1 LYS 23 9.516 -5.916 16.577 194 HB3 LYS 23 HB2 LYS 23 10.456 -6.787 15.344 195 HG2 LYS 23 HG1 LYS 23 10.650 -6.978 18.442 196 HG3 LYS 23 HG2 LYS 23 9.845 -8.114 17.339 197 HD2 LYS 23 HD1 LYS 23 11.726 -9.350 17.520 198 HD3 LYS 23 HD2 LYS 23 12.351 -8.243 16.264 199 HE2 LYS 23 HE1 LYS 23 13.190 -6.777 18.351 200 HE3 LYS 23 HE2 LYS 23 12.874 -8.260 19.324 201 HZ1 LYS 23 HZ1 LYS 23 14.587 -8.137 16.889 202 HZ2 LYS 23 HZ2 LYS 23 14.407 -9.463 17.915 203 HZ3 LYS 23 HZ3 LYS 23 15.170 -8.045 18.470 204 H SER 24 HN SER 24 11.922 -5.821 13.932 205 HA SER 24 HA SER 24 13.359 -7.388 13.142 206 HB2 SER 24 HB1 SER 24 14.795 -4.710 12.896 207 HB3 SER 24 HB2 SER 24 15.046 -6.145 11.825 208 HG SER 24 HG1 SER 24 13.517 -4.788 10.899 Start of MODEL 2 1 H1 PHE 1 HN PHE 1 2.011 -1.389 0.082 2 HA PHE 1 HA PHE 1 2.049 -0.623 -2.517 3 HB2 PHE 1 HB1 PHE 1 2.826 1.680 -0.607 4 HB3 PHE 1 HB2 PHE 1 3.325 1.646 -2.343 5 HD1 PHE 1 HD1 PHE 1 0.511 2.133 -0.022 6 HD2 PHE 1 HD2 PHE 1 1.673 1.797 -4.143 7 HE1 PHE 1 HE1 PHE 1 -1.652 3.128 -0.714 8 HE2 PHE 1 HE2 PHE 1 -0.486 2.787 -4.835 9 HZ PHE 1 HZ PHE 1 -2.151 3.454 -3.124 10 H LEU 2 HN LEU 2 4.640 0.170 -2.902 11 HA LEU 2 HA LEU 2 6.669 -0.717 -3.069 12 HB2 LEU 2 HB1 LEU 2 6.425 -0.634 -0.039 13 HB3 LEU 2 HB2 LEU 2 7.949 -1.034 -0.883 14 HG LEU 2 HG LEU 2 8.034 1.213 -0.153 15 HD11 LEU 2 HD11 LEU 2 9.167 0.636 -2.307 16 HD12 LEU 2 HD12 LEU 2 8.686 2.369 -2.215 17 HD13 LEU 2 HD13 LEU 2 7.725 1.233 -3.219 18 HD21 LEU 2 HD21 LEU 2 6.624 3.054 -0.847 19 HD22 LEU 2 HD22 LEU 2 5.582 1.778 -0.113 20 HD23 LEU 2 HD23 LEU 2 5.637 1.995 -1.908 21 HA PRO 3 HA PRO 3 4.689 -4.774 -2.301 22 HB2 PRO 3 HB1 PRO 3 4.929 -6.047 -4.824 23 HB3 PRO 3 HB2 PRO 3 3.653 -4.852 -4.388 24 HG2 PRO 3 HG1 PRO 3 6.324 -4.283 -5.791 25 HG3 PRO 3 HG2 PRO 3 4.665 -3.771 -6.302 26 HD2 PRO 3 HD1 PRO 3 6.265 -2.049 -4.902 27 HD3 PRO 3 HD2 PRO 3 4.501 -2.196 -4.459 28 H ILE 4 HN ILE 4 7.934 -4.664 -3.848 29 HA ILE 4 HA ILE 4 8.622 -7.279 -3.034 30 HB ILE 4 HB ILE 4 9.803 -6.164 -4.800 31 HG12 ILE 4 HG11 ILE 4 12.151 -6.600 -4.158 32 HG13 ILE 4 HG12 ILE 4 11.699 -6.727 -2.438 33 HG21 ILE 4 HG21 ILE 4 10.971 -4.227 -2.695 34 HG22 ILE 4 HG22 ILE 4 11.352 -4.296 -4.442 35 HG23 ILE 4 HG23 ILE 4 9.711 -3.789 -3.923 36 HD11 ILE 4 HD1 ILE 4 10.304 -8.760 -2.935 37 HD12 ILE 4 HD2 ILE 4 10.632 -8.562 -4.702 38 HD13 ILE 4 HD3 ILE 4 11.970 -8.975 -3.574 39 H LEU 5 HN LEU 5 9.018 -4.145 -1.347 40 HA LEU 5 HA LEU 5 10.332 -5.237 0.927 41 HB2 LEU 5 HB1 LEU 5 8.693 -2.651 0.655 42 HB3 LEU 5 HB2 LEU 5 9.829 -3.044 1.984 43 HG LEU 5 HG LEU 5 10.570 -2.604 -0.971 44 HD11 LEU 5 HD11 LEU 5 9.902 -0.518 0.237 45 HD12 LEU 5 HD12 LEU 5 11.664 -0.534 -0.143 46 HD13 LEU 5 HD13 LEU 5 11.101 -0.885 1.532 47 HD21 LEU 5 HD21 LEU 5 12.153 -4.242 0.036 48 HD22 LEU 5 HD22 LEU 5 12.385 -3.162 1.466 49 HD23 LEU 5 HD23 LEU 5 12.949 -2.645 -0.164 50 H ALA 6 HN ALA 6 6.906 -4.473 0.189 51 HA ALA 6 HA ALA 6 5.833 -5.262 2.642 52 HB1 ALA 6 HB1 ALA 6 4.623 -3.945 0.873 53 HB2 ALA 6 HB2 ALA 6 4.595 -5.403 -0.176 54 HB3 ALA 6 HB3 ALA 6 3.680 -5.391 1.380 55 H SER 7 HN SER 7 6.441 -7.221 -0.308 56 HA SER 7 HA SER 7 5.477 -9.665 0.618 57 HB2 SER 7 HB1 SER 7 6.096 -9.222 -1.752 58 HB3 SER 7 HB2 SER 7 7.822 -9.115 -1.298 59 HG SER 7 HG1 SER 7 6.990 -11.151 -2.190 60 H LEU 8 HN LEU 8 8.789 -8.258 1.035 61 HA LEU 8 HA LEU 8 9.763 -10.469 2.531 62 HB2 LEU 8 HB1 LEU 8 11.044 -8.640 1.306 63 HB3 LEU 8 HB2 LEU 8 10.673 -7.533 2.647 64 HG LEU 8 HG LEU 8 12.139 -10.226 3.004 65 HD11 LEU 8 HD11 LEU 8 13.365 -7.443 2.498 66 HD12 LEU 8 HD12 LEU 8 13.367 -8.828 1.344 67 HD13 LEU 8 HD13 LEU 8 14.274 -8.947 2.896 68 HD21 LEU 8 HD21 LEU 8 11.364 -9.299 5.179 69 HD22 LEU 8 HD22 LEU 8 12.066 -7.686 4.763 70 HD23 LEU 8 HD23 LEU 8 13.138 -9.109 5.032 71 H ALA 9 HN ALA 9 8.398 -7.283 3.613 72 HA ALA 9 HA ALA 9 8.726 -7.734 6.316 73 HB1 ALA 9 HB1 ALA 9 6.647 -5.995 4.854 74 HB2 ALA 9 HB2 ALA 9 7.154 -5.794 6.579 75 HB3 ALA 9 HB3 ALA 9 8.331 -5.508 5.245 76 H ALA 10 HN ALA 10 5.782 -8.417 4.347 77 HA ALA 10 HA ALA 10 4.181 -9.297 6.467 78 HB1 ALA 10 HB1 ALA 10 3.319 -8.672 4.210 79 HB2 ALA 10 HB2 ALA 10 4.168 -10.079 3.489 80 HB3 ALA 10 HB3 ALA 10 2.804 -10.342 4.645 81 H LYS 11 HN LYS 11 6.495 -11.041 4.419 82 HA LYS 11 HA LYS 11 5.753 -13.643 5.381 83 HB2 LYS 11 HB1 LYS 11 6.404 -13.145 3.096 84 HB3 LYS 11 HB2 LYS 11 8.006 -12.526 3.636 85 HG2 LYS 11 HG1 LYS 11 8.821 -14.715 4.114 86 HG3 LYS 11 HG2 LYS 11 7.190 -15.426 4.170 87 HD2 LYS 11 HD1 LYS 11 8.532 -16.066 2.161 88 HD3 LYS 11 HD2 LYS 11 6.921 -15.414 1.786 89 HE2 LYS 11 HE1 LYS 11 9.469 -13.645 1.630 90 HE3 LYS 11 HE2 LYS 11 8.955 -14.731 0.281 91 HZ1 LYS 11 HZ1 LYS 11 6.745 -13.579 0.394 92 HZ2 LYS 11 HZ2 LYS 11 8.007 -12.608 -0.151 93 HZ3 LYS 11 HZ3 LYS 11 7.451 -12.428 1.403 94 H PHE 12 HN PHE 12 8.064 -11.230 6.476 95 HA PHE 12 HA PHE 12 9.452 -13.203 8.149 96 HB2 PHE 12 HB1 PHE 12 9.909 -10.295 7.328 97 HB3 PHE 12 HB2 PHE 12 10.649 -10.891 8.857 98 HD1 PHE 12 HD1 PHE 12 12.768 -11.683 8.747 99 HD2 PHE 12 HD2 PHE 12 10.299 -12.121 5.257 100 HE1 PHE 12 HE1 PHE 12 14.678 -12.661 7.514 101 HE2 PHE 12 HE2 PHE 12 12.207 -13.095 4.030 102 HZ PHE 12 HZ PHE 12 14.401 -13.365 5.153 103 H GLY 13 HN GLY 13 6.559 -11.655 8.435 104 HA2 GLY 13 HA1 GLY 13 5.226 -12.064 10.275 105 HA3 GLY 13 HA2 GLY 13 6.673 -12.189 11.306 106 HA PRO 14 HA PRO 14 6.015 -7.602 10.933 107 HB2 PRO 14 HB1 PRO 14 3.631 -6.473 10.010 108 HB3 PRO 14 HB2 PRO 14 4.888 -7.132 8.894 109 HG2 PRO 14 HG1 PRO 14 2.408 -8.621 9.937 110 HG3 PRO 14 HG2 PRO 14 2.930 -8.396 8.216 111 HD2 PRO 14 HD1 PRO 14 3.613 -10.680 9.583 112 HD3 PRO 14 HD2 PRO 14 4.841 -9.861 8.519 113 H LYS 15 HN LYS 15 3.548 -9.633 12.244 114 HA LYS 15 HA LYS 15 2.468 -7.812 14.092 115 HB2 LYS 15 HB1 LYS 15 1.356 -9.976 13.590 116 HB3 LYS 15 HB2 LYS 15 2.718 -10.856 14.344 117 HG2 LYS 15 HG1 LYS 15 0.810 -10.786 15.899 118 HG3 LYS 15 HG2 LYS 15 2.177 -9.858 16.558 119 HD2 LYS 15 HD1 LYS 15 0.760 -7.866 15.187 120 HD3 LYS 15 HD2 LYS 15 -0.568 -8.933 15.698 121 HE2 LYS 15 HE1 LYS 15 -0.091 -8.574 18.059 122 HE3 LYS 15 HE2 LYS 15 1.594 -8.016 17.706 123 HZ1 LYS 15 HZ1 LYS 15 0.124 -6.175 18.249 124 HZ2 LYS 15 HZ2 LYS 15 -0.861 -6.528 16.908 125 HZ3 LYS 15 HZ3 LYS 15 0.756 -6.076 16.682 126 H LEU 16 HN LEU 16 5.396 -9.874 14.296 127 HA LEU 16 HA LEU 16 6.047 -9.341 16.968 128 HB2 LEU 16 HB1 LEU 16 7.799 -10.061 14.533 129 HB3 LEU 16 HB2 LEU 16 8.385 -9.994 16.220 130 HG LEU 16 HG LEU 16 8.099 -12.246 15.678 131 HD11 LEU 16 HD11 LEU 16 7.363 -11.608 17.985 132 HD12 LEU 16 HD12 LEU 16 6.545 -13.089 17.375 133 HD13 LEU 16 HD13 LEU 16 5.651 -11.530 17.410 134 HD21 LEU 16 HD21 LEU 16 6.130 -13.380 14.863 135 HD22 LEU 16 HD22 LEU 16 6.541 -12.042 13.732 136 HD23 LEU 16 HD23 LEU 16 5.151 -11.874 14.888 137 H PHE 17 HN PHE 17 6.881 -7.626 13.930 138 HA PHE 17 HA PHE 17 8.471 -5.624 15.128 139 HB2 PHE 17 HB1 PHE 17 8.256 -6.223 12.627 140 HB3 PHE 17 HB2 PHE 17 6.676 -5.375 12.616 141 HD1 PHE 17 HD1 PHE 17 10.290 -5.048 12.519 142 HD2 PHE 17 HD2 PHE 17 6.636 -2.869 13.119 143 HE1 PHE 17 HE1 PHE 17 11.486 -2.930 12.094 144 HE2 PHE 17 HE2 PHE 17 7.831 -0.750 12.713 145 HZ PHE 17 HZ PHE 17 10.255 -0.768 12.187 146 H SER 18 HN SER 18 4.976 -5.729 14.397 147 HA SER 18 HA SER 18 4.347 -3.147 14.911 148 HB2 SER 18 HB1 SER 18 2.013 -3.720 14.976 149 HB3 SER 18 HB2 SER 18 2.816 -4.820 13.815 150 HG SER 18 HG1 SER 18 2.927 -6.332 15.631 151 H LEU 19 HN LEU 19 4.577 -5.631 17.481 152 HA LEU 19 HA LEU 19 2.908 -4.171 19.228 153 HB2 LEU 19 HB1 LEU 19 3.373 -5.884 20.869 154 HB3 LEU 19 HB2 LEU 19 3.104 -6.610 19.261 155 HG LEU 19 HG LEU 19 5.902 -6.297 19.323 156 HD11 LEU 19 HD11 LEU 19 5.727 -5.720 21.809 157 HD12 LEU 19 HD12 LEU 19 6.642 -7.252 21.503 158 HD13 LEU 19 HD13 LEU 19 4.942 -7.307 22.084 159 HD21 LEU 19 HD21 LEU 19 5.940 -8.769 19.575 160 HD22 LEU 19 HD22 LEU 19 4.613 -8.268 18.462 161 HD23 LEU 19 HD23 LEU 19 4.238 -8.756 20.160 162 H VAL 20 HN VAL 20 6.273 -3.661 18.598 163 HA VAL 20 HA VAL 20 6.139 -1.598 20.724 164 HB VAL 20 HB VAL 20 8.812 -2.777 19.885 165 HG11 VAL 20 HG11 VAL 20 7.793 -1.230 22.377 166 HG12 VAL 20 HG12 VAL 20 9.475 -1.817 22.151 167 HG13 VAL 20 HG13 VAL 20 8.822 -0.537 21.076 168 HG21 VAL 20 HG21 VAL 20 8.699 -4.076 22.123 169 HG22 VAL 20 HG22 VAL 20 6.962 -3.663 22.201 170 HG23 VAL 20 HG23 VAL 20 7.553 -4.715 20.869 171 H THR 21 HN THR 21 5.516 -1.918 17.731 172 HA THR 21 HA THR 21 6.108 -1.339 15.702 173 HB THR 21 HB THR 21 4.710 0.433 16.585 174 HG1 THR 21 HG1 THR 21 5.106 1.775 14.804 175 HG21 THR 21 HG21 THR 21 5.628 2.723 16.853 176 HG22 THR 21 HG22 THR 21 7.306 2.118 16.600 177 HG23 THR 21 HG23 THR 21 6.374 1.617 18.057 178 H LYS 22 HN LYS 22 8.246 -2.518 16.544 179 HA LYS 22 HA LYS 22 10.495 -1.577 15.189 180 HB2 LYS 22 HB1 LYS 22 10.088 0.009 17.499 181 HB3 LYS 22 HB2 LYS 22 11.200 -1.206 18.118 182 HG2 LYS 22 HG1 LYS 22 12.550 0.591 17.388 183 HG3 LYS 22 HG2 LYS 22 12.750 -0.622 16.080 184 HD2 LYS 22 HD1 LYS 22 11.051 0.590 14.699 185 HD3 LYS 22 HD2 LYS 22 10.682 1.659 16.081 186 HE2 LYS 22 HE1 LYS 22 13.015 2.645 15.946 187 HE3 LYS 22 HE2 LYS 22 13.328 1.632 14.476 188 HZ1 LYS 22 HZ1 LYS 22 11.126 3.610 14.819 189 HZ2 LYS 22 HZ2 LYS 22 11.400 2.673 13.443 190 HZ3 LYS 22 HZ3 LYS 22 12.539 3.850 13.904 191 H LYS 23 HN LYS 23 11.221 -3.663 14.698 192 HA LYS 23 HA LYS 23 12.657 -4.872 16.753 193 HB2 LYS 23 HB1 LYS 23 10.050 -5.847 16.699 194 HB3 LYS 23 HB2 LYS 23 10.847 -7.032 15.652 195 HG2 LYS 23 HG1 LYS 23 12.223 -7.841 17.405 196 HG3 LYS 23 HG2 LYS 23 12.243 -6.290 18.278 197 HD2 LYS 23 HD1 LYS 23 9.869 -8.252 18.142 198 HD3 LYS 23 HD2 LYS 23 11.001 -8.062 19.508 199 HE2 LYS 23 HE1 LYS 23 8.856 -6.055 18.540 200 HE3 LYS 23 HE2 LYS 23 8.957 -6.921 20.118 201 HZ1 LYS 23 HZ1 LYS 23 10.602 -4.697 19.080 202 HZ2 LYS 23 HZ2 LYS 23 11.140 -5.638 20.392 203 HZ3 LYS 23 HZ3 LYS 23 9.692 -4.751 20.489 204 H SER 24 HN SER 24 13.919 -6.841 15.840 205 HA SER 24 HA SER 24 15.439 -7.471 14.396 206 HB2 SER 24 HB1 SER 24 13.544 -8.256 12.958 207 HB3 SER 24 HB2 SER 24 13.609 -6.690 12.074 208 HG SER 24 HG1 SER 24 14.876 -8.360 11.074 Start of MODEL 3 1 H1 PHE 1 HN PHE 1 2.181 1.370 -2.814 2 HA PHE 1 HA PHE 1 2.158 -0.312 -0.955 3 HB2 PHE 1 HB1 PHE 1 2.299 -1.399 -3.856 4 HB3 PHE 1 HB2 PHE 1 1.561 -2.274 -2.458 5 HD1 PHE 1 HD1 PHE 1 -0.315 -1.025 -1.162 6 HD2 PHE 1 HD2 PHE 1 0.940 0.028 -5.135 7 HE1 PHE 1 HE1 PHE 1 -2.475 0.128 -1.540 8 HE2 PHE 1 HE2 PHE 1 -1.218 1.178 -5.512 9 HZ PHE 1 HZ PHE 1 -2.927 1.232 -3.717 10 H LEU 2 HN LEU 2 4.873 -0.053 -2.985 11 HA LEU 2 HA LEU 2 6.899 -1.024 -3.130 12 HB2 LEU 2 HB1 LEU 2 6.550 -1.171 -0.111 13 HB3 LEU 2 HB2 LEU 2 8.122 -1.226 -0.972 14 HG LEU 2 HG LEU 2 6.161 1.144 -1.039 15 HD11 LEU 2 HD11 LEU 2 7.101 0.778 1.236 16 HD12 LEU 2 HD12 LEU 2 7.765 2.273 0.478 17 HD13 LEU 2 HD13 LEU 2 8.773 0.781 0.556 18 HD21 LEU 2 HD21 LEU 2 9.076 0.887 -2.038 19 HD22 LEU 2 HD22 LEU 2 8.119 2.410 -1.973 20 HD23 LEU 2 HD23 LEU 2 7.611 1.087 -3.077 21 HA PRO 3 HA PRO 3 4.814 -5.057 -2.423 22 HB2 PRO 3 HB1 PRO 3 5.053 -6.338 -4.946 23 HB3 PRO 3 HB2 PRO 3 3.790 -5.127 -4.513 24 HG2 PRO 3 HG1 PRO 3 6.472 -4.593 -5.908 25 HG3 PRO 3 HG2 PRO 3 4.821 -4.053 -6.419 26 HD2 PRO 3 HD1 PRO 3 6.445 -2.358 -5.011 27 HD3 PRO 3 HD2 PRO 3 4.681 -2.483 -4.568 28 H ILE 4 HN ILE 4 8.063 -5.041 -3.974 29 HA ILE 4 HA ILE 4 8.684 -7.659 -3.104 30 HB ILE 4 HB ILE 4 9.899 -6.647 -4.897 31 HG12 ILE 4 HG11 ILE 4 12.234 -7.109 -4.236 32 HG13 ILE 4 HG12 ILE 4 11.786 -7.142 -2.510 33 HG21 ILE 4 HG21 ILE 4 11.487 -4.799 -4.611 34 HG22 ILE 4 HG22 ILE 4 9.856 -4.237 -4.122 35 HG23 ILE 4 HG23 ILE 4 11.101 -4.648 -2.870 36 HD11 ILE 4 HD1 ILE 4 12.007 -9.448 -3.532 37 HD12 ILE 4 HD2 ILE 4 10.347 -9.166 -2.902 38 HD13 ILE 4 HD3 ILE 4 10.674 -9.065 -4.677 39 H LEU 5 HN LEU 5 9.192 -4.494 -1.501 40 HA LEU 5 HA LEU 5 10.491 -5.566 0.787 41 HB2 LEU 5 HB1 LEU 5 8.936 -2.938 0.441 42 HB3 LEU 5 HB2 LEU 5 10.055 -3.323 1.788 43 HG LEU 5 HG LEU 5 10.828 -3.032 -1.178 44 HD11 LEU 5 HD11 LEU 5 11.980 -0.959 -0.431 45 HD12 LEU 5 HD12 LEU 5 11.364 -1.204 1.244 46 HD13 LEU 5 HD13 LEU 5 10.211 -0.873 -0.103 47 HD21 LEU 5 HD21 LEU 5 13.196 -3.099 -0.343 48 HD22 LEU 5 HD22 LEU 5 12.354 -4.664 -0.077 49 HD23 LEU 5 HD23 LEU 5 12.601 -3.523 1.303 50 H ALA 6 HN ALA 6 7.081 -4.735 0.065 51 HA ALA 6 HA ALA 6 6.005 -5.443 2.541 52 HB1 ALA 6 HB1 ALA 6 4.759 -5.636 -0.271 53 HB2 ALA 6 HB2 ALA 6 3.847 -5.574 1.285 54 HB3 ALA 6 HB3 ALA 6 4.808 -4.154 0.741 55 H SER 7 HN SER 7 6.567 -7.494 -0.366 56 HA SER 7 HA SER 7 5.582 -9.889 0.678 57 HB2 SER 7 HB1 SER 7 6.143 -9.539 -1.723 58 HB3 SER 7 HB2 SER 7 7.885 -9.491 -1.322 59 HG SER 7 HG1 SER 7 6.831 -11.529 -2.094 60 H LEU 8 HN LEU 8 8.938 -8.528 0.982 61 HA LEU 8 HA LEU 8 9.885 -10.706 2.557 62 HB2 LEU 8 HB1 LEU 8 10.732 -7.767 2.379 63 HB3 LEU 8 HB2 LEU 8 11.655 -9.014 3.275 64 HG LEU 8 HG LEU 8 11.058 -9.167 0.262 65 HD11 LEU 8 HD11 LEU 8 13.397 -8.405 -0.079 66 HD12 LEU 8 HD12 LEU 8 13.591 -8.157 1.696 67 HD13 LEU 8 HD13 LEU 8 12.417 -7.151 0.764 68 HD21 LEU 8 HD21 LEU 8 11.585 -11.392 1.318 69 HD22 LEU 8 HD22 LEU 8 13.088 -10.684 2.026 70 HD23 LEU 8 HD23 LEU 8 12.918 -10.829 0.242 71 H ALA 9 HN ALA 9 8.519 -7.499 3.553 72 HA ALA 9 HA ALA 9 8.832 -7.895 6.276 73 HB1 ALA 9 HB1 ALA 9 6.749 -6.211 4.755 74 HB2 ALA 9 HB2 ALA 9 7.229 -5.972 6.481 75 HB3 ALA 9 HB3 ALA 9 8.420 -5.691 5.159 76 H ALA 10 HN ALA 10 5.935 -8.641 4.269 77 HA ALA 10 HA ALA 10 4.307 -9.543 6.354 78 HB1 ALA 10 HB1 ALA 10 3.490 -8.954 4.069 79 HB2 ALA 10 HB2 ALA 10 4.387 -10.349 3.383 80 HB3 ALA 10 HB3 ALA 10 2.999 -10.631 4.506 81 H LYS 11 HN LYS 11 6.711 -11.257 4.380 82 HA LYS 11 HA LYS 11 5.978 -13.865 5.276 83 HB2 LYS 11 HB1 LYS 11 6.904 -13.121 3.072 84 HB3 LYS 11 HB2 LYS 11 8.496 -12.819 3.860 85 HG2 LYS 11 HG1 LYS 11 8.592 -15.301 4.408 86 HG3 LYS 11 HG2 LYS 11 7.028 -15.528 3.579 87 HD2 LYS 11 HD1 LYS 11 9.709 -14.635 2.310 88 HD3 LYS 11 HD2 LYS 11 8.886 -16.206 2.152 89 HE2 LYS 11 HE1 LYS 11 8.362 -15.227 0.095 90 HE3 LYS 11 HE2 LYS 11 6.879 -14.860 1.058 91 HZ1 LYS 11 HZ1 LYS 11 7.862 -12.639 1.491 92 HZ2 LYS 11 HZ2 LYS 11 7.624 -12.889 -0.129 93 HZ3 LYS 11 HZ3 LYS 11 9.179 -13.024 0.514 94 H PHE 12 HN PHE 12 8.238 -11.442 6.515 95 HA PHE 12 HA PHE 12 9.480 -13.435 8.279 96 HB2 PHE 12 HB1 PHE 12 10.066 -10.451 7.841 97 HB3 PHE 12 HB2 PHE 12 11.045 -11.568 8.872 98 HD1 PHE 12 HD1 PHE 12 11.840 -9.827 6.439 99 HD2 PHE 12 HD2 PHE 12 10.959 -14.021 6.852 100 HE1 PHE 12 HE1 PHE 12 13.320 -10.337 4.522 101 HE2 PHE 12 HE2 PHE 12 12.412 -14.514 4.939 102 HZ PHE 12 HZ PHE 12 13.600 -12.681 3.761 103 H GLY 13 HN GLY 13 6.652 -11.843 8.484 104 HA2 GLY 13 HA1 GLY 13 5.317 -12.154 10.354 105 HA3 GLY 13 HA2 GLY 13 6.763 -12.169 11.395 106 HA PRO 14 HA PRO 14 6.090 -7.658 10.584 107 HB2 PRO 14 HB1 PRO 14 3.710 -6.613 9.552 108 HB3 PRO 14 HB2 PRO 14 4.956 -7.400 8.510 109 HG2 PRO 14 HG1 PRO 14 2.474 -8.752 9.722 110 HG3 PRO 14 HG2 PRO 14 2.979 -8.712 7.983 111 HD2 PRO 14 HD1 PRO 14 3.669 -10.847 9.565 112 HD3 PRO 14 HD2 PRO 14 4.899 -10.135 8.427 113 H LYS 15 HN LYS 15 3.526 -9.482 12.073 114 HA LYS 15 HA LYS 15 2.570 -7.386 13.698 115 HB2 LYS 15 HB1 LYS 15 1.238 -9.446 13.294 116 HB3 LYS 15 HB2 LYS 15 2.391 -10.368 14.305 117 HG2 LYS 15 HG1 LYS 15 0.387 -9.818 15.619 118 HG3 LYS 15 HG2 LYS 15 1.800 -8.966 16.283 119 HD2 LYS 15 HD1 LYS 15 0.709 -7.071 14.462 120 HD3 LYS 15 HD2 LYS 15 -0.736 -7.885 15.118 121 HE2 LYS 15 HE1 LYS 15 -0.064 -7.301 17.450 122 HE3 LYS 15 HE2 LYS 15 1.535 -6.696 16.859 123 HZ1 LYS 15 HZ1 LYS 15 0.475 -4.917 15.734 124 HZ2 LYS 15 HZ2 LYS 15 -0.075 -4.930 17.320 125 HZ3 LYS 15 HZ3 LYS 15 -1.078 -5.499 16.074 126 H LEU 16 HN LEU 16 5.389 -9.507 14.068 127 HA LEU 16 HA LEU 16 5.994 -8.906 16.754 128 HB2 LEU 16 HB1 LEU 16 7.834 -9.532 14.368 129 HB3 LEU 16 HB2 LEU 16 8.314 -9.614 16.095 130 HG LEU 16 HG LEU 16 6.151 -11.362 14.771 131 HD11 LEU 16 HD11 LEU 16 9.062 -12.030 15.527 132 HD12 LEU 16 HD12 LEU 16 8.412 -11.834 13.854 133 HD13 LEU 16 HD13 LEU 16 7.832 -13.184 14.894 134 HD21 LEU 16 HD21 LEU 16 6.361 -12.749 16.853 135 HD22 LEU 16 HD22 LEU 16 5.752 -11.099 17.227 136 HD23 LEU 16 HD23 LEU 16 7.474 -11.526 17.559 137 H PHE 17 HN PHE 17 6.898 -7.286 13.688 138 HA PHE 17 HA PHE 17 8.365 -5.184 14.906 139 HB2 PHE 17 HB1 PHE 17 8.299 -6.045 12.404 140 HB3 PHE 17 HB2 PHE 17 6.854 -5.003 12.215 141 HD1 PHE 17 HD1 PHE 17 7.176 -2.463 12.888 142 HD2 PHE 17 HD2 PHE 17 10.412 -5.174 12.086 143 HE1 PHE 17 HE1 PHE 17 8.658 -0.550 12.415 144 HE2 PHE 17 HE2 PHE 17 11.900 -3.239 11.598 145 HZ PHE 17 HZ PHE 17 11.023 -0.935 11.773 146 H SER 18 HN SER 18 4.959 -5.477 13.930 147 HA SER 18 HA SER 18 4.128 -2.897 14.601 148 HB2 SER 18 HB1 SER 18 2.782 -4.429 13.197 149 HB3 SER 18 HB2 SER 18 2.616 -5.555 14.579 150 HG SER 18 HG1 SER 18 1.513 -2.941 14.377 151 H LEU 19 HN LEU 19 4.207 -5.794 16.825 152 HA LEU 19 HA LEU 19 2.678 -4.453 18.758 153 HB2 LEU 19 HB1 LEU 19 2.934 -6.279 20.213 154 HB3 LEU 19 HB2 LEU 19 2.768 -6.898 18.549 155 HG LEU 19 HG LEU 19 5.505 -6.873 18.740 156 HD11 LEU 19 HD11 LEU 19 5.390 -6.104 21.186 157 HD12 LEU 19 HD12 LEU 19 6.160 -7.724 20.985 158 HD13 LEU 19 HD13 LEU 19 4.463 -7.594 21.567 159 HD21 LEU 19 HD21 LEU 19 3.621 -9.094 19.766 160 HD22 LEU 19 HD22 LEU 19 5.316 -9.314 19.207 161 HD23 LEU 19 HD23 LEU 19 4.045 -8.792 18.036 162 H VAL 20 HN VAL 20 6.271 -4.552 18.509 163 HA VAL 20 HA VAL 20 6.370 -2.861 20.909 164 HB VAL 20 HB VAL 20 8.740 -3.633 19.163 165 HG11 VAL 20 HG11 VAL 20 8.375 -3.036 22.187 166 HG12 VAL 20 HG12 VAL 20 9.919 -3.515 21.404 167 HG13 VAL 20 HG13 VAL 20 9.164 -1.937 20.993 168 HG21 VAL 20 HG21 VAL 20 7.607 -5.792 19.639 169 HG22 VAL 20 HG22 VAL 20 9.060 -5.617 20.672 170 HG23 VAL 20 HG23 VAL 20 7.437 -5.329 21.384 171 H THR 21 HN THR 21 5.652 -2.385 17.737 172 HA THR 21 HA THR 21 6.059 -1.053 16.085 173 HB THR 21 HB THR 21 4.437 0.173 17.268 174 HG1 THR 21 HG1 THR 21 4.785 2.077 16.083 175 HG21 THR 21 HG21 THR 21 6.716 2.065 18.150 176 HG22 THR 21 HG22 THR 21 5.783 0.965 19.253 177 HG23 THR 21 HG23 THR 21 4.952 2.303 18.394 178 H LYS 22 HN LYS 22 8.045 -2.179 16.083 179 HA LYS 22 HA LYS 22 10.120 -1.337 14.851 180 HB2 LYS 22 HB1 LYS 22 12.021 -0.736 16.316 181 HB3 LYS 22 HB2 LYS 22 10.721 0.471 16.420 182 HG2 LYS 22 HG1 LYS 22 9.924 -0.978 18.530 183 HG3 LYS 22 HG2 LYS 22 11.573 -1.620 18.509 184 HD2 LYS 22 HD1 LYS 22 12.448 0.311 19.397 185 HD3 LYS 22 HD2 LYS 22 11.620 1.334 18.198 186 HE2 LYS 22 HE1 LYS 22 10.406 0.311 20.855 187 HE3 LYS 22 HE2 LYS 22 10.922 1.999 20.459 188 HZ1 LYS 22 HZ1 LYS 22 8.726 2.154 19.933 189 HZ2 LYS 22 HZ2 LYS 22 8.568 0.501 19.625 190 HZ3 LYS 22 HZ3 LYS 22 9.212 1.462 18.450 191 H LYS 23 HN LYS 23 11.914 -2.940 14.874 192 HA LYS 23 HA LYS 23 12.166 -4.819 16.936 193 HB2 LYS 23 HB1 LYS 23 10.086 -5.912 16.236 194 HB3 LYS 23 HB2 LYS 23 10.532 -5.776 14.514 195 HG2 LYS 23 HG1 LYS 23 10.682 -8.105 15.284 196 HG3 LYS 23 HG2 LYS 23 12.268 -7.504 14.762 197 HD2 LYS 23 HD1 LYS 23 12.421 -6.946 17.494 198 HD3 LYS 23 HD2 LYS 23 11.240 -8.271 17.523 199 HE2 LYS 23 HE1 LYS 23 13.524 -9.146 17.875 200 HE3 LYS 23 HE2 LYS 23 12.927 -9.749 16.276 201 HZ1 LYS 23 HZ1 LYS 23 15.272 -8.749 16.408 202 HZ2 LYS 23 HZ2 LYS 23 14.495 -7.237 16.488 203 HZ3 LYS 23 HZ3 LYS 23 14.277 -8.192 15.158 204 H SER 24 HN SER 24 12.377 -4.525 13.385 205 HA SER 24 HA SER 24 13.864 -5.175 11.902 206 HB2 SER 24 HB1 SER 24 15.756 -3.693 13.779 207 HB3 SER 24 HB2 SER 24 16.035 -3.996 12.018 208 HG SER 24 HG1 SER 24 15.094 -1.956 12.352 Start of MODEL 4 1 H1 PHE 1 HN PHE 1 6.206 1.224 1.643 2 HA PHE 1 HA PHE 1 4.333 -0.503 1.459 3 HB2 PHE 1 HB1 PHE 1 4.481 1.841 -0.563 4 HB3 PHE 1 HB2 PHE 1 2.965 1.015 -0.039 5 HD1 PHE 1 HD1 PHE 1 5.227 3.704 0.655 6 HD2 PHE 1 HD2 PHE 1 2.488 0.970 2.517 7 HE1 PHE 1 HE1 PHE 1 5.047 5.217 2.607 8 HE2 PHE 1 HE2 PHE 1 2.306 2.481 4.472 9 HZ PHE 1 HZ PHE 1 3.588 4.607 4.520 10 H LEU 2 HN LEU 2 6.791 -0.374 -0.865 11 HA LEU 2 HA LEU 2 5.544 -1.257 -3.156 12 HB2 LEU 2 HB1 LEU 2 8.447 -1.638 -2.222 13 HB3 LEU 2 HB2 LEU 2 7.873 -2.076 -3.859 14 HG LEU 2 HG LEU 2 7.129 0.343 -4.179 15 HD11 LEU 2 HD11 LEU 2 8.947 0.790 -1.718 16 HD12 LEU 2 HD12 LEU 2 7.209 1.279 -1.884 17 HD13 LEU 2 HD13 LEU 2 8.464 2.064 -2.892 18 HD21 LEU 2 HD21 LEU 2 9.120 -0.693 -5.260 19 HD22 LEU 2 HD22 LEU 2 10.127 -0.283 -3.819 20 HD23 LEU 2 HD23 LEU 2 9.430 1.027 -4.838 21 HA PRO 3 HA PRO 3 4.433 -5.316 -2.323 22 HB2 PRO 3 HB1 PRO 3 4.536 -6.643 -4.828 23 HB3 PRO 3 HB2 PRO 3 3.294 -5.424 -4.358 24 HG2 PRO 3 HG1 PRO 3 5.892 -4.919 -5.910 25 HG3 PRO 3 HG2 PRO 3 4.214 -4.388 -6.336 26 HD2 PRO 3 HD1 PRO 3 5.917 -2.670 -5.065 27 HD3 PRO 3 HD2 PRO 3 4.183 -2.772 -4.515 28 H ILE 4 HN ILE 4 7.594 -5.163 -3.984 29 HA ILE 4 HA ILE 4 8.381 -7.771 -3.267 30 HB ILE 4 HB ILE 4 9.458 -6.568 -5.025 31 HG12 ILE 4 HG11 ILE 4 11.474 -7.156 -2.775 32 HG13 ILE 4 HG12 ILE 4 10.628 -8.404 -3.744 33 HG21 ILE 4 HG21 ILE 4 10.961 -4.666 -4.676 34 HG22 ILE 4 HG22 ILE 4 9.355 -4.229 -4.017 35 HG23 ILE 4 HG23 ILE 4 10.707 -4.697 -2.905 36 HD11 ILE 4 HD1 ILE 4 11.643 -7.442 -5.856 37 HD12 ILE 4 HD2 ILE 4 12.554 -6.252 -4.858 38 HD13 ILE 4 HD3 ILE 4 12.882 -8.009 -4.682 39 H LEU 5 HN LEU 5 8.898 -4.676 -1.441 40 HA LEU 5 HA LEU 5 10.204 -6.085 0.673 41 HB2 LEU 5 HB1 LEU 5 10.395 -4.042 1.867 42 HB3 LEU 5 HB2 LEU 5 10.785 -3.784 0.149 43 HG LEU 5 HG LEU 5 8.239 -2.958 -0.005 44 HD11 LEU 5 HD11 LEU 5 7.557 -1.702 2.049 45 HD12 LEU 5 HD12 LEU 5 8.951 -2.393 2.954 46 HD13 LEU 5 HD13 LEU 5 7.611 -3.464 2.396 47 HD21 LEU 5 HD21 LEU 5 10.260 -1.599 -0.522 48 HD22 LEU 5 HD22 LEU 5 10.512 -1.288 1.237 49 HD23 LEU 5 HD23 LEU 5 9.049 -0.641 0.409 50 H ALA 6 HN ALA 6 6.833 -5.045 0.116 51 HA ALA 6 HA ALA 6 5.816 -5.824 2.593 52 HB1 ALA 6 HB1 ALA 6 3.620 -5.857 1.400 53 HB2 ALA 6 HB2 ALA 6 4.599 -4.439 0.878 54 HB3 ALA 6 HB3 ALA 6 4.484 -5.882 -0.184 55 H SER 7 HN SER 7 6.268 -7.765 -0.400 56 HA SER 7 HA SER 7 5.242 -10.183 0.517 57 HB2 SER 7 HB1 SER 7 5.819 -9.749 -1.857 58 HB3 SER 7 HB2 SER 7 7.558 -9.678 -1.446 59 HG SER 7 HG1 SER 7 6.629 -11.697 -2.327 60 H LEU 8 HN LEU 8 8.623 -8.916 0.887 61 HA LEU 8 HA LEU 8 9.510 -11.195 2.359 62 HB2 LEU 8 HB1 LEU 8 10.464 -8.280 2.281 63 HB3 LEU 8 HB2 LEU 8 11.354 -9.601 3.102 64 HG LEU 8 HG LEU 8 10.712 -9.549 0.093 65 HD11 LEU 8 HD11 LEU 8 13.321 -8.831 1.569 66 HD12 LEU 8 HD12 LEU 8 12.222 -7.678 0.719 67 HD13 LEU 8 HD13 LEU 8 13.102 -8.940 -0.216 68 HD21 LEU 8 HD21 LEU 8 12.473 -11.331 -0.038 69 HD22 LEU 8 HD22 LEU 8 11.077 -11.873 0.963 70 HD23 LEU 8 HD23 LEU 8 12.608 -11.335 1.756 71 H ALA 9 HN ALA 9 8.304 -7.966 3.473 72 HA ALA 9 HA ALA 9 8.694 -8.448 6.169 73 HB1 ALA 9 HB1 ALA 9 8.379 -6.197 5.120 74 HB2 ALA 9 HB2 ALA 9 6.666 -6.603 4.767 75 HB3 ALA 9 HB3 ALA 9 7.221 -6.437 6.480 76 H ALA 10 HN ALA 10 5.668 -8.979 4.269 77 HA ALA 10 HA ALA 10 4.110 -9.808 6.456 78 HB1 ALA 10 HB1 ALA 10 2.595 -10.732 4.679 79 HB2 ALA 10 HB2 ALA 10 3.174 -9.079 4.260 80 HB3 ALA 10 HB3 ALA 10 3.913 -10.507 3.463 81 H LYS 11 HN LYS 11 6.134 -11.640 4.182 82 HA LYS 11 HA LYS 11 5.435 -14.225 5.068 83 HB2 LYS 11 HB1 LYS 11 6.218 -13.698 2.850 84 HB3 LYS 11 HB2 LYS 11 7.790 -13.091 3.488 85 HG2 LYS 11 HG1 LYS 11 8.574 -15.284 3.980 86 HG3 LYS 11 HG2 LYS 11 6.941 -15.995 3.941 87 HD2 LYS 11 HD1 LYS 11 8.393 -16.613 2.001 88 HD3 LYS 11 HD2 LYS 11 6.805 -15.959 1.547 89 HE2 LYS 11 HE1 LYS 11 9.344 -14.174 1.558 90 HE3 LYS 11 HE2 LYS 11 8.930 -15.256 0.172 91 HZ1 LYS 11 HZ1 LYS 11 7.996 -13.135 -0.299 92 HZ2 LYS 11 HZ2 LYS 11 7.317 -12.986 1.213 93 HZ3 LYS 11 HZ3 LYS 11 6.710 -14.128 0.137 94 H PHE 12 HN PHE 12 8.159 -12.080 6.069 95 HA PHE 12 HA PHE 12 9.211 -14.095 7.820 96 HB2 PHE 12 HB1 PHE 12 9.689 -11.056 7.697 97 HB3 PHE 12 HB2 PHE 12 10.651 -12.210 8.704 98 HD1 PHE 12 HD1 PHE 12 10.969 -14.522 6.713 99 HD2 PHE 12 HD2 PHE 12 11.361 -10.258 6.283 100 HE1 PHE 12 HE1 PHE 12 12.559 -14.854 4.871 101 HE2 PHE 12 HE2 PHE 12 12.989 -10.603 4.448 102 HZ PHE 12 HZ PHE 12 13.577 -12.901 3.729 103 H GLY 13 HN GLY 13 6.472 -12.100 8.123 104 HA2 GLY 13 HA1 GLY 13 4.920 -12.584 9.753 105 HA3 GLY 13 HA2 GLY 13 6.218 -13.127 10.850 106 HA PRO 14 HA PRO 14 6.430 -8.550 11.133 107 HB2 PRO 14 HB1 PRO 14 4.424 -6.827 10.272 108 HB3 PRO 14 HB2 PRO 14 5.493 -7.704 9.111 109 HG2 PRO 14 HG1 PRO 14 2.708 -8.603 10.057 110 HG3 PRO 14 HG2 PRO 14 3.287 -8.376 8.352 111 HD2 PRO 14 HD1 PRO 14 3.382 -10.859 9.544 112 HD3 PRO 14 HD2 PRO 14 4.761 -10.283 8.509 113 H LYS 15 HN LYS 15 4.080 -10.356 12.575 114 HA LYS 15 HA LYS 15 2.722 -8.427 14.083 115 HB2 LYS 15 HB1 LYS 15 1.968 -10.843 13.724 116 HB3 LYS 15 HB2 LYS 15 3.126 -11.308 15.003 117 HG2 LYS 15 HG1 LYS 15 0.964 -11.090 16.059 118 HG3 LYS 15 HG2 LYS 15 1.905 -9.659 16.566 119 HD2 LYS 15 HD1 LYS 15 0.685 -8.462 14.475 120 HD3 LYS 15 HD2 LYS 15 -0.366 -9.895 14.496 121 HE2 LYS 15 HE1 LYS 15 -1.474 -8.071 15.683 122 HE3 LYS 15 HE2 LYS 15 -1.023 -9.322 16.910 123 HZ1 LYS 15 HZ1 LYS 15 0.814 -8.009 17.577 124 HZ2 LYS 15 HZ2 LYS 15 -0.511 -6.950 17.491 125 HZ3 LYS 15 HZ3 LYS 15 0.670 -6.949 16.276 126 H LEU 16 HN LEU 16 5.781 -10.171 14.933 127 HA LEU 16 HA LEU 16 5.856 -8.959 17.512 128 HB2 LEU 16 HB1 LEU 16 7.925 -9.966 17.880 129 HB3 LEU 16 HB2 LEU 16 6.956 -11.150 16.973 130 HG LEU 16 HG LEU 16 9.166 -9.365 15.758 131 HD11 LEU 16 HD11 LEU 16 10.551 -11.426 15.776 132 HD12 LEU 16 HD12 LEU 16 9.229 -12.330 16.591 133 HD13 LEU 16 HD13 LEU 16 10.056 -10.981 17.453 134 HD21 LEU 16 HD21 LEU 16 7.597 -10.068 13.980 135 HD22 LEU 16 HD22 LEU 16 7.652 -11.777 14.570 136 HD23 LEU 16 HD23 LEU 16 9.110 -11.016 13.862 137 H PHE 17 HN PHE 17 6.772 -7.820 14.346 138 HA PHE 17 HA PHE 17 8.313 -5.582 15.286 139 HB2 PHE 17 HB1 PHE 17 8.308 -6.617 12.894 140 HB3 PHE 17 HB2 PHE 17 6.734 -5.799 12.639 141 HD1 PHE 17 HD1 PHE 17 10.290 -5.482 12.485 142 HD2 PHE 17 HD2 PHE 17 6.681 -3.204 13.004 143 HE1 PHE 17 HE1 PHE 17 11.483 -3.408 11.799 144 HE2 PHE 17 HE2 PHE 17 7.883 -1.149 12.360 145 HZ PHE 17 HZ PHE 17 10.286 -1.249 11.764 146 H SER 18 HN SER 18 4.901 -6.101 14.349 147 HA SER 18 HA SER 18 4.033 -3.537 14.526 148 HB2 SER 18 HB1 SER 18 1.742 -4.311 14.573 149 HB3 SER 18 HB2 SER 18 2.702 -5.414 13.540 150 HG SER 18 HG1 SER 18 2.870 -6.756 15.487 151 H LEU 19 HN LEU 19 4.136 -5.762 17.362 152 HA LEU 19 HA LEU 19 2.476 -4.039 18.879 153 HB2 LEU 19 HB1 LEU 19 2.790 -5.600 20.705 154 HB3 LEU 19 HB2 LEU 19 2.501 -6.455 19.168 155 HG LEU 19 HG LEU 19 5.281 -6.417 19.208 156 HD11 LEU 19 HD11 LEU 19 4.343 -6.815 22.127 157 HD12 LEU 19 HD12 LEU 19 5.268 -5.394 21.549 158 HD13 LEU 19 HD13 LEU 19 6.014 -7.040 21.508 159 HD21 LEU 19 HD21 LEU 19 3.817 -8.400 18.747 160 HD22 LEU 19 HD22 LEU 19 3.426 -8.512 20.508 161 HD23 LEU 19 HD23 LEU 19 5.107 -8.799 19.945 162 H VAL 20 HN VAL 20 5.888 -3.811 18.326 163 HA VAL 20 HA VAL 20 6.024 -1.791 20.518 164 HB VAL 20 HB VAL 20 8.397 -3.022 19.034 165 HG11 VAL 20 HG11 VAL 20 9.615 -2.247 21.142 166 HG12 VAL 20 HG12 VAL 20 8.901 -0.867 20.246 167 HG13 VAL 20 HG13 VAL 20 8.089 -1.505 21.724 168 HG21 VAL 20 HG21 VAL 20 8.690 -4.420 21.180 169 HG22 VAL 20 HG22 VAL 20 7.047 -3.908 21.667 170 HG23 VAL 20 HG23 VAL 20 7.257 -4.918 20.191 171 H THR 21 HN THR 21 5.178 -2.075 17.415 172 HA THR 21 HA THR 21 5.815 -1.508 15.404 173 HB THR 21 HB THR 21 4.084 -0.010 15.969 174 HG1 THR 21 HG1 THR 21 4.487 1.369 14.221 175 HG21 THR 21 HG21 THR 21 6.245 2.175 16.283 176 HG22 THR 21 HG22 THR 21 5.319 1.438 17.661 177 HG23 THR 21 HG23 THR 21 4.463 2.371 16.384 178 H LYS 22 HN LYS 22 7.883 -2.477 15.845 179 HA LYS 22 HA LYS 22 10.215 -1.326 14.918 180 HB2 LYS 22 HB1 LYS 22 9.543 -0.597 17.765 181 HB3 LYS 22 HB2 LYS 22 11.164 -1.300 17.601 182 HG2 LYS 22 HG1 LYS 22 12.004 0.370 16.222 183 HG3 LYS 22 HG2 LYS 22 10.419 1.047 15.787 184 HD2 LYS 22 HD1 LYS 22 11.137 0.990 18.754 185 HD3 LYS 22 HD2 LYS 22 12.080 2.088 17.716 186 HE2 LYS 22 HE1 LYS 22 10.123 3.232 18.816 187 HE3 LYS 22 HE2 LYS 22 10.129 3.345 17.013 188 HZ1 LYS 22 HZ1 LYS 22 8.487 1.359 18.548 189 HZ2 LYS 22 HZ2 LYS 22 8.514 1.610 16.909 190 HZ3 LYS 22 HZ3 LYS 22 7.933 2.827 17.920 191 H LYS 23 HN LYS 23 11.851 -2.884 14.929 192 HA LYS 23 HA LYS 23 12.285 -4.651 17.001 193 HB2 LYS 23 HB1 LYS 23 10.226 -5.926 15.892 194 HB3 LYS 23 HB2 LYS 23 11.319 -6.204 14.520 195 HG2 LYS 23 HG1 LYS 23 11.891 -8.099 15.612 196 HG3 LYS 23 HG2 LYS 23 12.927 -7.074 16.626 197 HD2 LYS 23 HD1 LYS 23 10.086 -8.136 17.251 198 HD3 LYS 23 HD2 LYS 23 11.639 -8.638 17.954 199 HE2 LYS 23 HE1 LYS 23 10.754 -7.388 19.685 200 HE3 LYS 23 HE2 LYS 23 11.814 -6.157 18.898 201 HZ1 LYS 23 HZ1 LYS 23 9.894 -5.173 17.898 202 HZ2 LYS 23 HZ2 LYS 23 9.463 -5.477 19.498 203 HZ3 LYS 23 HZ3 LYS 23 8.917 -6.479 18.246 204 H SER 24 HN SER 24 12.459 -4.426 13.434 205 HA SER 24 HA SER 24 15.390 -4.072 13.732 206 HB2 SER 24 HB1 SER 24 14.836 -5.659 11.892 207 HB3 SER 24 HB2 SER 24 13.757 -4.422 11.148 208 HG SER 24 HG1 SER 24 15.955 -4.483 10.290 Start of MODEL 5 1 H1 PHE 1 HN PHE 1 6.765 1.261 -5.767 2 HA PHE 1 HA PHE 1 7.688 -0.979 -5.182 3 HB2 PHE 1 HB1 PHE 1 8.976 1.326 -5.009 4 HB3 PHE 1 HB2 PHE 1 8.739 1.177 -3.233 5 HD1 PHE 1 HD1 PHE 1 10.270 -0.190 -2.017 6 HD2 PHE 1 HD2 PHE 1 10.053 -0.602 -6.284 7 HE1 PHE 1 HE1 PHE 1 12.259 -1.672 -1.975 8 HE2 PHE 1 HE2 PHE 1 12.040 -2.075 -6.247 9 HZ PHE 1 HZ PHE 1 13.145 -2.616 -4.093 10 H LEU 2 HN LEU 2 5.291 0.244 -3.364 11 HA LEU 2 HA LEU 2 5.590 -0.862 -0.827 12 HB2 LEU 2 HB1 LEU 2 3.937 0.829 -1.519 13 HB3 LEU 2 HB2 LEU 2 2.988 -0.401 -2.392 14 HG LEU 2 HG LEU 2 3.608 -0.738 0.592 15 HD11 LEU 2 HD11 LEU 2 1.559 0.572 1.154 16 HD12 LEU 2 HD12 LEU 2 1.360 1.017 -0.581 17 HD13 LEU 2 HD13 LEU 2 2.795 1.603 0.341 18 HD21 LEU 2 HD21 LEU 2 1.317 -1.795 0.623 19 HD22 LEU 2 HD22 LEU 2 2.412 -2.652 -0.514 20 HD23 LEU 2 HD23 LEU 2 1.166 -1.510 -1.147 21 HA PRO 3 HA PRO 3 3.430 -4.865 -1.893 22 HB2 PRO 3 HB1 PRO 3 3.625 -6.036 -4.462 23 HB3 PRO 3 HB2 PRO 3 2.265 -4.995 -3.900 24 HG2 PRO 3 HG1 PRO 3 4.750 -4.117 -5.469 25 HG3 PRO 3 HG2 PRO 3 3.014 -3.754 -5.834 26 HD2 PRO 3 HD1 PRO 3 4.553 -1.940 -4.519 27 HD3 PRO 3 HD2 PRO 3 2.858 -2.246 -3.924 28 H ILE 4 HN ILE 4 6.578 -4.334 -3.584 29 HA ILE 4 HA ILE 4 7.514 -6.936 -2.851 30 HB ILE 4 HB ILE 4 8.507 -5.919 -4.725 31 HG12 ILE 4 HG11 ILE 4 10.591 -6.101 -2.469 32 HG13 ILE 4 HG12 ILE 4 9.798 -7.514 -3.235 33 HG21 ILE 4 HG21 ILE 4 9.571 -3.707 -2.842 34 HG22 ILE 4 HG22 ILE 4 9.985 -3.922 -4.572 35 HG23 ILE 4 HG23 ILE 4 8.308 -3.513 -4.122 36 HD11 ILE 4 HD1 ILE 4 12.008 -7.136 -4.281 37 HD12 ILE 4 HD2 ILE 4 10.716 -6.791 -5.487 38 HD13 ILE 4 HD3 ILE 4 11.581 -5.436 -4.676 39 H LEU 5 HN LEU 5 7.835 -3.713 -1.259 40 HA LEU 5 HA LEU 5 9.275 -4.650 0.966 41 HB2 LEU 5 HB1 LEU 5 7.217 -2.380 0.714 42 HB3 LEU 5 HB2 LEU 5 8.286 -2.610 2.136 43 HG LEU 5 HG LEU 5 9.253 -2.041 -0.724 44 HD11 LEU 5 HD11 LEU 5 9.785 0.237 0.181 45 HD12 LEU 5 HD12 LEU 5 9.008 -0.205 1.745 46 HD13 LEU 5 HD13 LEU 5 8.019 -0.117 0.236 47 HD21 LEU 5 HD21 LEU 5 10.784 -2.153 1.957 48 HD22 LEU 5 HD22 LEU 5 11.454 -1.562 0.393 49 HD23 LEU 5 HD23 LEU 5 10.979 -3.287 0.562 50 H ALA 6 HN ALA 6 5.717 -4.415 0.465 51 HA ALA 6 HA ALA 6 4.957 -5.430 2.947 52 HB1 ALA 6 HB1 ALA 6 3.435 -4.243 1.343 53 HB2 ALA 6 HB2 ALA 6 3.541 -5.644 0.221 54 HB3 ALA 6 HB3 ALA 6 2.753 -5.837 1.834 55 H SER 7 HN SER 7 5.667 -7.187 -0.106 56 HA SER 7 HA SER 7 5.035 -9.756 0.762 57 HB2 SER 7 HB1 SER 7 5.522 -9.177 -1.609 58 HB3 SER 7 HB2 SER 7 7.239 -8.884 -1.201 59 HG SER 7 HG1 SER 7 6.619 -10.981 -2.127 60 H LEU 8 HN LEU 8 8.209 -8.018 1.104 61 HA LEU 8 HA LEU 8 9.415 -10.168 2.561 62 HB2 LEU 8 HB1 LEU 8 10.026 -7.224 2.102 63 HB3 LEU 8 HB2 LEU 8 10.874 -8.099 3.411 64 HG LEU 8 HG LEU 8 11.703 -9.799 1.815 65 HD11 LEU 8 HD11 LEU 8 10.618 -7.929 -0.387 66 HD12 LEU 8 HD12 LEU 8 10.042 -9.610 -0.064 67 HD13 LEU 8 HD13 LEU 8 11.725 -9.321 -0.638 68 HD21 LEU 8 HD21 LEU 8 13.449 -8.325 0.816 69 HD22 LEU 8 HD22 LEU 8 13.077 -7.831 2.509 70 HD23 LEU 8 HD23 LEU 8 12.419 -6.881 1.124 71 H ALA 9 HN ALA 9 7.802 -7.116 3.686 72 HA ALA 9 HA ALA 9 8.300 -7.539 6.371 73 HB1 ALA 9 HB1 ALA 9 7.639 -5.359 5.339 74 HB2 ALA 9 HB2 ALA 9 5.993 -6.006 5.028 75 HB3 ALA 9 HB3 ALA 9 6.564 -5.764 6.727 76 H ALA 10 HN ALA 10 5.352 -8.513 4.536 77 HA ALA 10 HA ALA 10 3.951 -9.557 6.728 78 HB1 ALA 10 HB1 ALA 10 3.856 -10.311 3.745 79 HB2 ALA 10 HB2 ALA 10 2.591 -10.720 4.969 80 HB3 ALA 10 HB3 ALA 10 2.910 -9.003 4.530 81 H LYS 11 HN LYS 11 6.314 -11.036 4.530 82 HA LYS 11 HA LYS 11 5.887 -13.711 5.454 83 HB2 LYS 11 HB1 LYS 11 6.428 -13.106 3.164 84 HB3 LYS 11 HB2 LYS 11 7.969 -12.332 3.684 85 HG2 LYS 11 HG1 LYS 11 9.018 -14.429 4.106 86 HG3 LYS 11 HG2 LYS 11 7.473 -15.311 4.172 87 HD2 LYS 11 HD1 LYS 11 8.838 -15.771 2.133 88 HD3 LYS 11 HD2 LYS 11 7.165 -15.278 1.791 89 HE2 LYS 11 HE1 LYS 11 9.507 -13.245 1.652 90 HE3 LYS 11 HE2 LYS 11 9.121 -14.364 0.288 91 HZ1 LYS 11 HZ1 LYS 11 6.795 -13.471 0.407 92 HZ2 LYS 11 HZ2 LYS 11 7.942 -12.356 -0.117 93 HZ3 LYS 11 HZ3 LYS 11 7.362 -12.265 1.437 94 H PHE 12 HN PHE 12 8.020 -11.107 6.531 95 HA PHE 12 HA PHE 12 9.570 -12.998 8.152 96 HB2 PHE 12 HB1 PHE 12 9.712 -9.940 7.875 97 HB3 PHE 12 HB2 PHE 12 10.877 -10.956 8.812 98 HD1 PHE 12 HD1 PHE 12 11.007 -13.279 6.591 99 HD2 PHE 12 HD2 PHE 12 11.395 -8.990 6.530 100 HE1 PHE 12 HE1 PHE 12 12.457 -13.436 4.619 101 HE2 PHE 12 HE2 PHE 12 12.874 -9.163 4.553 102 HZ PHE 12 HZ PHE 12 13.397 -11.385 3.586 103 H GLY 13 HN GLY 13 6.569 -11.710 8.530 104 HA2 GLY 13 HA1 GLY 13 5.296 -12.245 10.369 105 HA3 GLY 13 HA2 GLY 13 6.768 -12.323 11.373 106 HA PRO 14 HA PRO 14 5.870 -7.774 11.149 107 HB2 PRO 14 HB1 PRO 14 3.409 -6.734 10.324 108 HB3 PRO 14 HB2 PRO 14 4.664 -7.303 9.159 109 HG2 PRO 14 HG1 PRO 14 2.283 -8.933 10.220 110 HG3 PRO 14 HG2 PRO 14 2.755 -8.642 8.494 111 HD2 PRO 14 HD1 PRO 14 3.573 -10.926 9.789 112 HD3 PRO 14 HD2 PRO 14 4.737 -10.026 8.719 113 H LYS 15 HN LYS 15 3.454 -9.911 12.436 114 HA LYS 15 HA LYS 15 2.448 -8.185 14.417 115 HB2 LYS 15 HB1 LYS 15 1.310 -10.319 13.826 116 HB3 LYS 15 HB2 LYS 15 2.689 -11.242 14.495 117 HG2 LYS 15 HG1 LYS 15 0.829 -11.249 16.107 118 HG3 LYS 15 HG2 LYS 15 2.214 -10.347 16.771 119 HD2 LYS 15 HD1 LYS 15 0.794 -8.279 15.575 120 HD3 LYS 15 HD2 LYS 15 -0.549 -9.372 15.979 121 HE2 LYS 15 HE1 LYS 15 -0.107 -9.194 18.368 122 HE3 LYS 15 HE2 LYS 15 1.592 -8.638 18.083 123 HZ1 LYS 15 HZ1 LYS 15 0.146 -6.818 18.741 124 HZ2 LYS 15 HZ2 LYS 15 -0.828 -7.055 17.367 125 HZ3 LYS 15 HZ3 LYS 15 0.798 -6.617 17.193 126 H LEU 16 HN LEU 16 5.385 -10.200 14.358 127 HA LEU 16 HA LEU 16 6.151 -9.876 17.040 128 HB2 LEU 16 HB1 LEU 16 7.744 -10.441 14.467 129 HB3 LEU 16 HB2 LEU 16 8.474 -10.409 16.099 130 HG LEU 16 HG LEU 16 6.900 -12.264 16.807 131 HD11 LEU 16 HD11 LEU 16 5.135 -12.239 15.065 132 HD12 LEU 16 HD12 LEU 16 6.055 -13.776 14.955 133 HD13 LEU 16 HD13 LEU 16 6.384 -12.466 13.768 134 HD21 LEU 16 HD21 LEU 16 9.310 -12.607 16.240 135 HD22 LEU 16 HD22 LEU 16 8.871 -12.821 14.501 136 HD23 LEU 16 HD23 LEU 16 8.311 -14.015 15.724 137 H PHE 17 HN PHE 17 6.761 -7.907 14.123 138 HA PHE 17 HA PHE 17 8.412 -5.974 15.385 139 HB2 PHE 17 HB1 PHE 17 8.029 -6.537 12.845 140 HB3 PHE 17 HB2 PHE 17 6.535 -5.558 12.954 141 HD1 PHE 17 HD1 PHE 17 10.084 -5.545 12.424 142 HD2 PHE 17 HD2 PHE 17 6.804 -3.068 13.693 143 HE1 PHE 17 HE1 PHE 17 11.424 -3.525 11.951 144 HE2 PHE 17 HE2 PHE 17 8.141 -1.055 13.202 145 HZ PHE 17 HZ PHE 17 10.453 -1.273 12.337 146 H SER 18 HN SER 18 4.916 -6.166 14.828 147 HA SER 18 HA SER 18 4.242 -3.610 15.164 148 HB2 SER 18 HB1 SER 18 1.915 -4.244 15.435 149 HB3 SER 18 HB2 SER 18 2.712 -5.370 14.297 150 HG SER 18 HG1 SER 18 2.978 -6.791 16.146 151 H LEU 19 HN LEU 19 4.528 -5.757 18.043 152 HA LEU 19 HA LEU 19 2.827 -4.228 19.623 153 HB2 LEU 19 HB1 LEU 19 3.800 -5.410 21.583 154 HB3 LEU 19 HB2 LEU 19 3.191 -6.477 20.300 155 HG LEU 19 HG LEU 19 6.152 -5.800 20.244 156 HD11 LEU 19 HD11 LEU 19 4.888 -7.756 22.264 157 HD12 LEU 19 HD12 LEU 19 5.719 -6.209 22.660 158 HD13 LEU 19 HD13 LEU 19 6.648 -7.567 21.928 159 HD21 LEU 19 HD21 LEU 19 5.190 -7.320 18.480 160 HD22 LEU 19 HD22 LEU 19 4.549 -8.404 19.776 161 HD23 LEU 19 HD23 LEU 19 6.323 -8.199 19.559 162 H VAL 20 HN VAL 20 6.385 -3.814 19.356 163 HA VAL 20 HA VAL 20 6.070 -1.378 21.034 164 HB VAL 20 HB VAL 20 8.682 -2.685 20.136 165 HG11 VAL 20 HG11 VAL 20 8.883 -0.313 21.005 166 HG12 VAL 20 HG12 VAL 20 7.910 -0.771 22.457 167 HG13 VAL 20 HG13 VAL 20 9.539 -1.482 22.203 168 HG21 VAL 20 HG21 VAL 20 6.990 -3.219 22.668 169 HG22 VAL 20 HG22 VAL 20 7.476 -4.432 21.422 170 HG23 VAL 20 HG23 VAL 20 8.715 -3.687 22.483 171 H THR 21 HN THR 21 5.738 -2.291 17.969 172 HA THR 21 HA THR 21 6.386 -1.942 15.956 173 HB THR 21 HB THR 21 4.734 -0.245 16.260 174 HG1 THR 21 HG1 THR 21 5.272 0.757 14.276 175 HG21 THR 21 HG21 THR 21 6.016 1.441 17.616 176 HG22 THR 21 HG22 THR 21 5.350 2.149 16.105 177 HG23 THR 21 HG23 THR 21 7.100 1.747 16.194 178 H LYS 22 HN LYS 22 8.479 -2.849 17.052 179 HA LYS 22 HA LYS 22 10.670 -1.581 15.649 180 HB2 LYS 22 HB1 LYS 22 11.059 -2.390 18.598 181 HB3 LYS 22 HB2 LYS 22 12.254 -1.571 17.546 182 HG2 LYS 22 HG1 LYS 22 9.625 -0.396 18.572 183 HG3 LYS 22 HG2 LYS 22 11.172 -0.232 19.453 184 HD2 LYS 22 HD1 LYS 22 12.065 1.340 18.005 185 HD3 LYS 22 HD2 LYS 22 11.204 0.708 16.578 186 HE2 LYS 22 HE1 LYS 22 10.555 3.096 17.613 187 HE3 LYS 22 HE2 LYS 22 9.319 2.017 16.871 188 HZ1 LYS 22 HZ1 LYS 22 8.669 2.954 19.040 189 HZ2 LYS 22 HZ2 LYS 22 9.901 2.040 19.786 190 HZ3 LYS 22 HZ3 LYS 22 8.635 1.274 18.967 191 H LYS 23 HN LYS 23 11.957 -3.263 14.759 192 HA LYS 23 HA LYS 23 12.763 -5.344 16.398 193 HB2 LYS 23 HB1 LYS 23 10.449 -6.086 14.920 194 HB3 LYS 23 HB2 LYS 23 11.773 -6.702 13.916 195 HG2 LYS 23 HG1 LYS 23 11.074 -8.478 15.357 196 HG3 LYS 23 HG2 LYS 23 12.656 -7.941 16.024 197 HD2 LYS 23 HD1 LYS 23 11.435 -6.640 17.821 198 HD3 LYS 23 HD2 LYS 23 9.902 -6.952 16.992 199 HE2 LYS 23 HE1 LYS 23 9.895 -8.369 18.909 200 HE3 LYS 23 HE2 LYS 23 10.124 -9.441 17.474 201 HZ1 LYS 23 HZ1 LYS 23 12.266 -8.432 19.285 202 HZ2 LYS 23 HZ2 LYS 23 12.496 -9.454 17.950 203 HZ3 LYS 23 HZ3 LYS 23 11.611 -9.993 19.295 204 H SER 24 HN SER 24 14.310 -6.776 14.862 205 HA SER 24 HA SER 24 16.328 -6.564 13.910 206 HB2 SER 24 HB1 SER 24 16.217 -6.589 11.431 207 HB3 SER 24 HB2 SER 24 14.976 -7.628 12.210 208 HG SER 24 HG1 SER 24 14.209 -6.226 10.463 Start of MODEL 6 1 H1 PHE 1 HN PHE 1 7.316 0.123 -6.177 2 HA PHE 1 HA PHE 1 8.698 -1.044 -4.500 3 HB2 PHE 1 HB1 PHE 1 7.462 1.645 -3.574 4 HB3 PHE 1 HB2 PHE 1 8.986 0.930 -2.913 5 HD1 PHE 1 HD1 PHE 1 10.865 0.384 -4.596 6 HD2 PHE 1 HD2 PHE 1 7.575 3.000 -5.503 7 HE1 PHE 1 HE1 PHE 1 12.168 1.386 -6.449 8 HE2 PHE 1 HE2 PHE 1 8.884 3.999 -7.353 9 HZ PHE 1 HZ PHE 1 11.177 3.191 -7.828 10 H LEU 2 HN LEU 2 5.464 -0.052 -3.480 11 HA LEU 2 HA LEU 2 5.550 -1.077 -0.888 12 HB2 LEU 2 HB1 LEU 2 3.946 0.570 -1.783 13 HB3 LEU 2 HB2 LEU 2 3.098 -0.702 -2.699 14 HG LEU 2 HG LEU 2 3.452 -0.909 0.344 15 HD11 LEU 2 HD11 LEU 2 1.265 0.700 -1.119 16 HD12 LEU 2 HD12 LEU 2 2.584 1.385 -0.096 17 HD13 LEU 2 HD13 LEU 2 1.314 0.344 0.646 18 HD21 LEU 2 HD21 LEU 2 2.433 -2.918 -0.760 19 HD22 LEU 2 HD22 LEU 2 1.222 -1.860 -1.581 20 HD23 LEU 2 HD23 LEU 2 1.199 -2.045 0.208 21 HA PRO 3 HA PRO 3 3.596 -5.144 -2.026 22 HB2 PRO 3 HB1 PRO 3 3.895 -6.342 -4.561 23 HB3 PRO 3 HB2 PRO 3 2.519 -5.276 -4.092 24 HG2 PRO 3 HG1 PRO 3 5.091 -4.452 -5.548 25 HG3 PRO 3 HG2 PRO 3 3.380 -4.088 -6.014 26 HD2 PRO 3 HD1 PRO 3 4.872 -2.260 -4.648 27 HD3 PRO 3 HD2 PRO 3 3.133 -2.526 -4.169 28 H ILE 4 HN ILE 4 6.767 -4.563 -3.651 29 HA ILE 4 HA ILE 4 7.757 -7.124 -2.870 30 HB ILE 4 HB ILE 4 8.739 -6.063 -4.738 31 HG12 ILE 4 HG11 ILE 4 10.811 -6.254 -2.473 32 HG13 ILE 4 HG12 ILE 4 10.027 -7.666 -3.251 33 HG21 ILE 4 HG21 ILE 4 8.507 -3.664 -4.082 34 HG22 ILE 4 HG22 ILE 4 9.788 -3.873 -2.822 35 HG23 ILE 4 HG23 ILE 4 10.184 -4.053 -4.563 36 HD11 ILE 4 HD1 ILE 4 11.802 -5.572 -4.679 37 HD12 ILE 4 HD2 ILE 4 12.239 -7.270 -4.288 38 HD13 ILE 4 HD3 ILE 4 10.947 -6.930 -5.494 39 H LEU 5 HN LEU 5 8.004 -3.881 -1.298 40 HA LEU 5 HA LEU 5 9.443 -4.798 0.939 41 HB2 LEU 5 HB1 LEU 5 7.461 -2.482 0.592 42 HB3 LEU 5 HB2 LEU 5 8.483 -2.700 2.052 43 HG LEU 5 HG LEU 5 9.583 -2.321 -0.794 44 HD11 LEU 5 HD11 LEU 5 10.112 0.002 -0.084 45 HD12 LEU 5 HD12 LEU 5 9.285 -0.277 1.495 46 HD13 LEU 5 HD13 LEU 5 8.337 -0.308 -0.042 47 HD21 LEU 5 HD21 LEU 5 11.734 -1.812 0.386 48 HD22 LEU 5 HD22 LEU 5 11.201 -3.501 0.688 49 HD23 LEU 5 HD23 LEU 5 10.973 -2.239 1.962 50 H ALA 6 HN ALA 6 5.881 -4.564 0.415 51 HA ALA 6 HA ALA 6 5.120 -5.546 2.912 52 HB1 ALA 6 HB1 ALA 6 3.727 -5.814 0.179 53 HB2 ALA 6 HB2 ALA 6 2.930 -6.013 1.788 54 HB3 ALA 6 HB3 ALA 6 3.583 -4.410 1.290 55 H SER 7 HN SER 7 5.868 -7.345 -0.115 56 HA SER 7 HA SER 7 5.286 -9.903 0.829 57 HB2 SER 7 HB1 SER 7 5.735 -9.383 -1.562 58 HB3 SER 7 HB2 SER 7 7.456 -9.078 -1.187 59 HG SER 7 HG1 SER 7 6.743 -11.220 -2.029 60 H LEU 8 HN LEU 8 8.431 -8.089 1.138 61 HA LEU 8 HA LEU 8 9.663 -10.207 2.623 62 HB2 LEU 8 HB1 LEU 8 10.245 -7.250 2.203 63 HB3 LEU 8 HB2 LEU 8 11.092 -8.152 3.494 64 HG LEU 8 HG LEU 8 11.896 -9.833 1.830 65 HD11 LEU 8 HD11 LEU 8 10.279 -9.463 -0.074 66 HD12 LEU 8 HD12 LEU 8 11.990 -9.219 -0.587 67 HD13 LEU 8 HD13 LEU 8 10.939 -7.797 -0.280 68 HD21 LEU 8 HD21 LEU 8 12.715 -6.902 1.336 69 HD22 LEU 8 HD22 LEU 8 13.708 -8.357 0.966 70 HD23 LEU 8 HD23 LEU 8 13.307 -7.953 2.677 71 H ALA 9 HN ALA 9 7.940 -7.210 3.722 72 HA ALA 9 HA ALA 9 8.408 -7.630 6.422 73 HB1 ALA 9 HB1 ALA 9 6.617 -5.907 6.746 74 HB2 ALA 9 HB2 ALA 9 7.708 -5.464 5.383 75 HB3 ALA 9 HB3 ALA 9 6.088 -6.157 5.035 76 H ALA 10 HN ALA 10 5.512 -8.660 4.527 77 HA ALA 10 HA ALA 10 4.121 -9.750 6.709 78 HB1 ALA 10 HB1 ALA 10 4.014 -10.441 3.710 79 HB2 ALA 10 HB2 ALA 10 2.757 -10.883 4.931 80 HB3 ALA 10 HB3 ALA 10 3.066 -9.155 4.527 81 H LYS 11 HN LYS 11 6.444 -11.188 4.448 82 HA LYS 11 HA LYS 11 6.130 -13.872 5.231 83 HB2 LYS 11 HB1 LYS 11 6.999 -12.953 3.096 84 HB3 LYS 11 HB2 LYS 11 8.505 -12.424 3.933 85 HG2 LYS 11 HG1 LYS 11 8.987 -14.865 4.434 86 HG3 LYS 11 HG2 LYS 11 7.498 -15.325 3.566 87 HD2 LYS 11 HD1 LYS 11 10.018 -13.976 2.372 88 HD3 LYS 11 HD2 LYS 11 9.481 -15.663 2.182 89 HE2 LYS 11 HE1 LYS 11 8.825 -14.785 0.125 90 HE3 LYS 11 HE2 LYS 11 7.288 -14.654 1.065 91 HZ1 LYS 11 HZ1 LYS 11 7.921 -12.305 1.513 92 HZ2 LYS 11 HZ2 LYS 11 7.724 -12.589 -0.107 93 HZ3 LYS 11 HZ3 LYS 11 9.280 -12.485 0.537 94 H PHE 12 HN PHE 12 8.371 -11.337 6.443 95 HA PHE 12 HA PHE 12 9.696 -13.320 8.124 96 HB2 PHE 12 HB1 PHE 12 10.210 -10.318 7.737 97 HB3 PHE 12 HB2 PHE 12 11.283 -11.461 8.639 98 HD1 PHE 12 HD1 PHE 12 11.178 -13.857 6.670 99 HD2 PHE 12 HD2 PHE 12 11.698 -9.625 6.088 100 HE1 PHE 12 HE1 PHE 12 12.440 -14.295 4.609 101 HE2 PHE 12 HE2 PHE 12 12.994 -10.075 4.029 102 HZ PHE 12 HZ PHE 12 13.355 -12.411 3.276 103 H GLY 13 HN GLY 13 6.850 -11.887 8.595 104 HA2 GLY 13 HA1 GLY 13 5.717 -12.402 10.554 105 HA3 GLY 13 HA2 GLY 13 7.235 -12.281 11.477 106 HA PRO 14 HA PRO 14 5.990 -7.859 10.889 107 HB2 PRO 14 HB1 PRO 14 3.417 -7.075 10.117 108 HB3 PRO 14 HB2 PRO 14 4.657 -7.656 8.941 109 HG2 PRO 14 HG1 PRO 14 2.468 -9.353 10.276 110 HG3 PRO 14 HG2 PRO 14 2.821 -9.187 8.505 111 HD2 PRO 14 HD1 PRO 14 3.892 -11.279 9.919 112 HD3 PRO 14 HD2 PRO 14 4.934 -10.368 8.736 113 H LYS 15 HN LYS 15 3.759 -9.979 12.506 114 HA LYS 15 HA LYS 15 2.709 -8.132 14.378 115 HB2 LYS 15 HB1 LYS 15 3.100 -11.168 14.433 116 HB3 LYS 15 HB2 LYS 15 2.492 -10.306 15.875 117 HG2 LYS 15 HG1 LYS 15 1.096 -10.271 13.137 118 HG3 LYS 15 HG2 LYS 15 0.672 -11.290 14.552 119 HD2 LYS 15 HD1 LYS 15 0.480 -9.009 15.886 120 HD3 LYS 15 HD2 LYS 15 0.545 -8.220 14.295 121 HE2 LYS 15 HE1 LYS 15 -1.788 -8.358 14.905 122 HE3 LYS 15 HE2 LYS 15 -1.527 -9.567 13.585 123 HZ1 LYS 15 HZ1 LYS 15 -2.823 -10.474 15.407 124 HZ2 LYS 15 HZ2 LYS 15 -1.590 -10.125 16.516 125 HZ3 LYS 15 HZ3 LYS 15 -1.329 -11.274 15.301 126 H LEU 16 HN LEU 16 5.783 -9.938 14.393 127 HA LEU 16 HA LEU 16 6.520 -9.304 17.044 128 HB2 LEU 16 HB1 LEU 16 8.239 -9.790 14.534 129 HB3 LEU 16 HB2 LEU 16 8.837 -9.845 16.226 130 HG LEU 16 HG LEU 16 6.731 -11.745 15.027 131 HD11 LEU 16 HD11 LEU 16 8.549 -13.438 15.034 132 HD12 LEU 16 HD12 LEU 16 9.723 -12.197 15.603 133 HD13 LEU 16 HD13 LEU 16 8.964 -12.043 13.972 134 HD21 LEU 16 HD21 LEU 16 8.233 -11.815 17.726 135 HD22 LEU 16 HD22 LEU 16 7.171 -13.117 17.084 136 HD23 LEU 16 HD23 LEU 16 6.469 -11.515 17.504 137 H PHE 17 HN PHE 17 6.969 -7.609 13.927 138 HA PHE 17 HA PHE 17 8.385 -5.422 15.091 139 HB2 PHE 17 HB1 PHE 17 8.159 -6.249 12.542 140 HB3 PHE 17 HB2 PHE 17 6.743 -5.149 12.509 141 HD1 PHE 17 HD1 PHE 17 7.279 -2.676 13.527 142 HD2 PHE 17 HD2 PHE 17 10.224 -5.412 12.002 143 HE1 PHE 17 HE1 PHE 17 8.841 -0.804 13.190 144 HE2 PHE 17 HE2 PHE 17 11.776 -3.526 11.625 145 HZ PHE 17 HZ PHE 17 11.094 -1.214 12.234 146 H SER 18 HN SER 18 4.879 -5.889 14.327 147 HA SER 18 HA SER 18 4.214 -3.281 15.060 148 HB2 SER 18 HB1 SER 18 1.893 -3.843 14.951 149 HB3 SER 18 HB2 SER 18 2.749 -4.707 13.635 150 HG SER 18 HG1 SER 18 1.939 -5.806 16.136 151 H LEU 19 HN LEU 19 4.214 -6.214 17.179 152 HA LEU 19 HA LEU 19 2.774 -4.909 19.199 153 HB2 LEU 19 HB1 LEU 19 3.049 -6.802 20.568 154 HB3 LEU 19 HB2 LEU 19 2.854 -7.346 18.880 155 HG LEU 19 HG LEU 19 5.568 -7.386 18.971 156 HD11 LEU 19 HD11 LEU 19 6.347 -8.232 21.191 157 HD12 LEU 19 HD12 LEU 19 4.696 -8.030 21.876 158 HD13 LEU 19 HD13 LEU 19 5.650 -6.584 21.407 159 HD21 LEU 19 HD21 LEU 19 3.743 -9.572 20.158 160 HD22 LEU 19 HD22 LEU 19 5.404 -9.813 19.505 161 HD23 LEU 19 HD23 LEU 19 4.068 -9.310 18.400 162 H VAL 20 HN VAL 20 6.337 -5.119 18.815 163 HA VAL 20 HA VAL 20 6.693 -3.510 21.222 164 HB VAL 20 HB VAL 20 8.753 -4.236 19.078 165 HG11 VAL 20 HG11 VAL 20 10.336 -4.086 21.052 166 HG12 VAL 20 HG12 VAL 20 9.537 -2.509 20.739 167 HG13 VAL 20 HG13 VAL 20 8.972 -3.558 22.099 168 HG21 VAL 20 HG21 VAL 20 7.740 -6.374 19.791 169 HG22 VAL 20 HG22 VAL 20 9.340 -6.186 20.573 170 HG23 VAL 20 HG23 VAL 20 7.849 -5.877 21.529 171 H THR 21 HN THR 21 5.811 -2.964 18.043 172 HA THR 21 HA THR 21 6.156 -1.593 16.402 173 HB THR 21 HB THR 21 4.442 -0.497 17.566 174 HG1 THR 21 HG1 THR 21 4.637 1.395 16.394 175 HG21 THR 21 HG21 THR 21 4.788 1.636 18.743 176 HG22 THR 21 HG22 THR 21 6.571 1.521 18.537 177 HG23 THR 21 HG23 THR 21 5.686 0.339 19.597 178 H LYS 22 HN LYS 22 8.292 -2.635 16.571 179 HA LYS 22 HA LYS 22 10.515 -1.258 15.707 180 HB2 LYS 22 HB1 LYS 22 10.243 -1.404 18.734 181 HB3 LYS 22 HB2 LYS 22 11.873 -1.677 18.090 182 HG2 LYS 22 HG1 LYS 22 12.210 0.456 17.247 183 HG3 LYS 22 HG2 LYS 22 10.508 0.922 17.290 184 HD2 LYS 22 HD1 LYS 22 12.454 0.601 19.643 185 HD3 LYS 22 HD2 LYS 22 11.609 2.075 19.097 186 HE2 LYS 22 HE1 LYS 22 10.440 -0.353 20.607 187 HE3 LYS 22 HE2 LYS 22 10.567 1.343 21.191 188 HZ1 LYS 22 HZ1 LYS 22 8.393 0.261 20.124 189 HZ2 LYS 22 HZ2 LYS 22 9.038 0.866 18.730 190 HZ3 LYS 22 HZ3 LYS 22 8.714 1.931 20.011 191 H LYS 23 HN LYS 23 11.067 -3.256 14.559 192 HA LYS 23 HA LYS 23 12.514 -5.002 16.331 193 HB2 LYS 23 HB1 LYS 23 10.312 -6.095 16.469 194 HB3 LYS 23 HB2 LYS 23 10.237 -6.197 14.685 195 HG2 LYS 23 HG1 LYS 23 10.720 -8.352 15.947 196 HG3 LYS 23 HG2 LYS 23 11.737 -7.959 14.556 197 HD2 LYS 23 HD1 LYS 23 13.272 -6.901 16.711 198 HD3 LYS 23 HD2 LYS 23 12.430 -8.268 17.470 199 HE2 LYS 23 HE1 LYS 23 14.648 -8.989 16.571 200 HE3 LYS 23 HE2 LYS 23 13.317 -9.797 15.645 201 HZ1 LYS 23 HZ1 LYS 23 13.566 -7.771 14.100 202 HZ2 LYS 23 HZ2 LYS 23 14.743 -8.993 14.010 203 HZ3 LYS 23 HZ3 LYS 23 15.046 -7.523 14.791 204 H SER 24 HN SER 24 13.705 -3.295 14.695 205 HA SER 24 HA SER 24 14.551 -4.702 12.298 206 HB2 SER 24 HB1 SER 24 16.199 -2.771 12.129 207 HB3 SER 24 HB2 SER 24 14.478 -2.261 12.177 208 HG SER 24 HG1 SER 24 15.870 -1.080 13.640 Start of MODEL 7 1 H1 PHE 1 HN PHE 1 5.889 1.491 1.136 2 HA PHE 1 HA PHE 1 4.272 -0.496 1.240 3 HB2 PHE 1 HB1 PHE 1 3.933 1.692 -0.928 4 HB3 PHE 1 HB2 PHE 1 2.593 0.709 -0.225 5 HD1 PHE 1 HD1 PHE 1 2.326 0.785 2.361 6 HD2 PHE 1 HD2 PHE 1 4.504 3.721 0.107 7 HE1 PHE 1 HE1 PHE 1 2.094 2.393 4.233 8 HE2 PHE 1 HE2 PHE 1 4.274 5.330 1.975 9 HZ PHE 1 HZ PHE 1 3.071 4.667 4.042 10 H LEU 2 HN LEU 2 6.579 -0.328 -1.164 11 HA LEU 2 HA LEU 2 5.386 -1.435 -3.377 12 HB2 LEU 2 HB1 LEU 2 8.307 -1.577 -2.433 13 HB3 LEU 2 HB2 LEU 2 7.766 -2.156 -4.037 14 HG LEU 2 HG LEU 2 6.873 0.185 -4.514 15 HD11 LEU 2 HD11 LEU 2 6.883 1.274 -2.287 16 HD12 LEU 2 HD12 LEU 2 8.091 2.068 -3.344 17 HD13 LEU 2 HD13 LEU 2 8.647 0.908 -2.087 18 HD21 LEU 2 HD21 LEU 2 9.128 0.969 -5.216 19 HD22 LEU 2 HD22 LEU 2 8.931 -0.792 -5.524 20 HD23 LEU 2 HD23 LEU 2 9.904 -0.224 -4.113 21 HA PRO 3 HA PRO 3 4.531 -5.507 -2.326 22 HB2 PRO 3 HB1 PRO 3 4.787 -6.977 -4.742 23 HB3 PRO 3 HB2 PRO 3 3.449 -5.828 -4.369 24 HG2 PRO 3 HG1 PRO 3 6.036 -5.225 -5.905 25 HG3 PRO 3 HG2 PRO 3 4.333 -4.845 -6.389 26 HD2 PRO 3 HD1 PRO 3 5.880 -2.934 -5.202 27 HD3 PRO 3 HD2 PRO 3 4.149 -3.131 -4.670 28 H ILE 4 HN ILE 4 7.713 -5.244 -3.926 29 HA ILE 4 HA ILE 4 8.673 -7.729 -3.006 30 HB ILE 4 HB ILE 4 9.704 -6.569 -4.821 31 HG12 ILE 4 HG11 ILE 4 11.694 -6.836 -2.489 32 HG13 ILE 4 HG12 ILE 4 10.976 -8.213 -3.384 33 HG21 ILE 4 HG21 ILE 4 9.393 -4.181 -3.987 34 HG22 ILE 4 HG22 ILE 4 10.741 -4.462 -2.810 35 HG23 ILE 4 HG23 ILE 4 11.046 -4.535 -4.572 36 HD11 ILE 4 HD1 ILE 4 11.972 -7.323 -5.536 37 HD12 ILE 4 HD2 ILE 4 12.759 -5.997 -4.606 38 HD13 ILE 4 HD3 ILE 4 13.219 -7.706 -4.298 39 H LEU 5 HN LEU 5 8.866 -4.482 -1.405 40 HA LEU 5 HA LEU 5 10.223 -5.609 0.841 41 HB2 LEU 5 HB1 LEU 5 10.254 -3.493 1.872 42 HB3 LEU 5 HB2 LEU 5 10.637 -3.318 0.143 43 HG LEU 5 HG LEU 5 8.050 -2.679 -0.080 44 HD11 LEU 5 HD11 LEU 5 7.249 -1.368 1.902 45 HD12 LEU 5 HD12 LEU 5 8.666 -1.928 2.859 46 HD13 LEU 5 HD13 LEU 5 7.406 -3.105 2.329 47 HD21 LEU 5 HD21 LEU 5 10.176 -0.791 1.109 48 HD22 LEU 5 HD22 LEU 5 8.687 -0.292 0.227 49 HD23 LEU 5 HD23 LEU 5 9.979 -1.207 -0.635 50 H ALA 6 HN ALA 6 6.795 -4.906 0.112 51 HA ALA 6 HA ALA 6 5.778 -5.606 2.617 52 HB1 ALA 6 HB1 ALA 6 4.484 -4.482 0.772 53 HB2 ALA 6 HB2 ALA 6 4.544 -6.005 -0.177 54 HB3 ALA 6 HB3 ALA 6 3.635 -5.948 1.381 55 H SER 7 HN SER 7 6.495 -7.708 -0.220 56 HA SER 7 HA SER 7 5.645 -10.116 0.887 57 HB2 SER 7 HB1 SER 7 6.188 -9.817 -1.516 58 HB3 SER 7 HB2 SER 7 7.923 -9.648 -1.122 59 HG SER 7 HG1 SER 7 7.015 -11.768 -1.831 60 H LEU 8 HN LEU 8 8.979 -8.632 1.159 61 HA LEU 8 HA LEU 8 9.811 -10.824 2.809 62 HB2 LEU 8 HB1 LEU 8 11.889 -9.792 3.131 63 HB3 LEU 8 HB2 LEU 8 11.387 -9.602 1.432 64 HG LEU 8 HG LEU 8 10.516 -7.210 2.309 65 HD11 LEU 8 HD11 LEU 8 12.136 -6.215 3.928 66 HD12 LEU 8 HD12 LEU 8 12.922 -7.817 4.159 67 HD13 LEU 8 HD13 LEU 8 11.228 -7.552 4.720 68 HD21 LEU 8 HD21 LEU 8 12.685 -6.266 1.508 69 HD22 LEU 8 HD22 LEU 8 12.110 -7.607 0.454 70 HD23 LEU 8 HD23 LEU 8 13.446 -7.894 1.633 71 H ALA 9 HN ALA 9 8.525 -7.545 3.651 72 HA ALA 9 HA ALA 9 8.914 -7.806 6.387 73 HB1 ALA 9 HB1 ALA 9 6.760 -6.249 4.836 74 HB2 ALA 9 HB2 ALA 9 7.249 -5.934 6.548 75 HB3 ALA 9 HB3 ALA 9 8.416 -5.664 5.203 76 H ALA 10 HN ALA 10 5.992 -8.725 4.471 77 HA ALA 10 HA ALA 10 4.450 -9.591 6.635 78 HB1 ALA 10 HB1 ALA 10 3.548 -9.125 4.356 79 HB2 ALA 10 HB2 ALA 10 4.471 -10.514 3.697 80 HB3 ALA 10 HB3 ALA 10 3.127 -10.798 4.871 81 H LYS 11 HN LYS 11 6.757 -11.334 4.585 82 HA LYS 11 HA LYS 11 6.366 -13.909 5.649 83 HB2 LYS 11 HB1 LYS 11 7.279 -13.166 3.449 84 HB3 LYS 11 HB2 LYS 11 8.814 -12.680 4.257 85 HG2 LYS 11 HG1 LYS 11 9.160 -15.101 4.893 86 HG3 LYS 11 HG2 LYS 11 7.611 -15.529 4.115 87 HD2 LYS 11 HD1 LYS 11 10.143 -14.422 2.712 88 HD3 LYS 11 HD2 LYS 11 9.522 -16.090 2.692 89 HE2 LYS 11 HE1 LYS 11 8.817 -15.356 0.597 90 HE3 LYS 11 HE2 LYS 11 7.329 -15.085 1.582 91 HZ1 LYS 11 HZ1 LYS 11 7.809 -13.154 0.197 92 HZ2 LYS 11 HZ2 LYS 11 9.376 -13.045 0.804 93 HZ3 LYS 11 HZ3 LYS 11 8.041 -12.728 1.783 94 H PHE 12 HN PHE 12 8.622 -11.295 6.616 95 HA PHE 12 HA PHE 12 9.834 -13.028 8.617 96 HB2 PHE 12 HB1 PHE 12 10.357 -10.103 7.839 97 HB3 PHE 12 HB2 PHE 12 11.368 -11.061 8.995 98 HD1 PHE 12 HD1 PHE 12 11.233 -13.743 7.178 99 HD2 PHE 12 HD2 PHE 12 12.227 -9.607 6.482 100 HE1 PHE 12 HE1 PHE 12 12.731 -14.405 5.357 101 HE2 PHE 12 HE2 PHE 12 13.756 -10.294 4.666 102 HZ PHE 12 HZ PHE 12 14.003 -12.693 4.092 103 H GLY 13 HN GLY 13 6.962 -11.659 8.761 104 HA2 GLY 13 HA1 GLY 13 5.707 -11.994 10.644 105 HA3 GLY 13 HA2 GLY 13 7.153 -11.796 11.660 106 HA PRO 14 HA PRO 14 5.804 -7.446 10.871 107 HB2 PRO 14 HB1 PRO 14 3.349 -6.756 9.752 108 HB3 PRO 14 HB2 PRO 14 4.727 -7.366 8.760 109 HG2 PRO 14 HG1 PRO 14 2.407 -9.040 9.892 110 HG3 PRO 14 HG2 PRO 14 2.972 -8.940 8.176 111 HD2 PRO 14 HD1 PRO 14 3.891 -10.954 9.802 112 HD3 PRO 14 HD2 PRO 14 5.048 -10.075 8.704 113 H LYS 15 HN LYS 15 3.163 -9.494 12.141 114 HA LYS 15 HA LYS 15 2.078 -7.500 13.797 115 HB2 LYS 15 HB1 LYS 15 0.819 -9.568 13.351 116 HB3 LYS 15 HB2 LYS 15 2.061 -10.537 14.197 117 HG2 LYS 15 HG1 LYS 15 0.078 -10.247 15.636 118 HG3 LYS 15 HG2 LYS 15 1.502 -9.461 16.355 119 HD2 LYS 15 HD1 LYS 15 0.364 -7.348 14.899 120 HD3 LYS 15 HD2 LYS 15 -1.087 -8.263 15.372 121 HE2 LYS 15 HE1 LYS 15 -0.643 -7.936 17.751 122 HE3 LYS 15 HE2 LYS 15 1.092 -7.529 17.439 123 HZ1 LYS 15 HZ1 LYS 15 -1.216 -5.845 16.590 124 HZ2 LYS 15 HZ2 LYS 15 0.433 -5.534 16.360 125 HZ3 LYS 15 HZ3 LYS 15 -0.203 -5.561 17.926 126 H LEU 16 HN LEU 16 4.742 -9.785 14.394 127 HA LEU 16 HA LEU 16 5.330 -9.032 17.032 128 HB2 LEU 16 HB1 LEU 16 7.131 -10.064 14.776 129 HB3 LEU 16 HB2 LEU 16 7.573 -10.040 16.521 130 HG LEU 16 HG LEU 16 5.243 -11.654 15.312 131 HD11 LEU 16 HD11 LEU 16 8.042 -12.563 16.227 132 HD12 LEU 16 HD12 LEU 16 7.463 -12.478 14.516 133 HD13 LEU 16 HD13 LEU 16 6.705 -13.630 15.676 134 HD21 LEU 16 HD21 LEU 16 5.265 -12.836 17.526 135 HD22 LEU 16 HD22 LEU 16 4.841 -11.100 17.717 136 HD23 LEU 16 HD23 LEU 16 6.497 -11.678 18.135 137 H PHE 17 HN PHE 17 6.428 -7.615 13.898 138 HA PHE 17 HA PHE 17 8.141 -5.689 15.080 139 HB2 PHE 17 HB1 PHE 17 7.996 -6.409 12.577 140 HB3 PHE 17 HB2 PHE 17 6.534 -5.379 12.449 141 HD1 PHE 17 HD1 PHE 17 10.125 -5.470 12.246 142 HD2 PHE 17 HD2 PHE 17 6.816 -2.846 13.081 143 HE1 PHE 17 HE1 PHE 17 11.566 -3.513 11.835 144 HE2 PHE 17 HE2 PHE 17 8.264 -0.898 12.671 145 HZ PHE 17 HZ PHE 17 10.641 -1.220 12.047 146 H SER 18 HN SER 18 4.668 -5.571 14.210 147 HA SER 18 HA SER 18 4.272 -2.901 14.716 148 HB2 SER 18 HB1 SER 18 1.899 -3.246 14.681 149 HB3 SER 18 HB2 SER 18 2.636 -4.390 13.518 150 HG SER 18 HG1 SER 18 2.545 -5.933 15.332 151 H LEU 19 HN LEU 19 4.110 -5.478 17.227 152 HA LEU 19 HA LEU 19 2.684 -3.834 19.014 153 HB2 LEU 19 HB1 LEU 19 2.899 -5.563 20.655 154 HB3 LEU 19 HB2 LEU 19 2.497 -6.239 19.054 155 HG LEU 19 HG LEU 19 5.270 -6.464 19.033 156 HD11 LEU 19 HD11 LEU 19 5.352 -5.695 21.469 157 HD12 LEU 19 HD12 LEU 19 5.966 -7.375 21.231 158 HD13 LEU 19 HD13 LEU 19 4.322 -7.098 21.909 159 HD21 LEU 19 HD21 LEU 19 3.234 -8.504 20.140 160 HD22 LEU 19 HD22 LEU 19 4.872 -8.876 19.497 161 HD23 LEU 19 HD23 LEU 19 3.602 -8.225 18.390 162 H VAL 20 HN VAL 20 6.251 -4.255 18.750 163 HA VAL 20 HA VAL 20 6.525 -2.253 20.897 164 HB VAL 20 HB VAL 20 8.804 -3.508 19.309 165 HG11 VAL 20 HG11 VAL 20 8.510 -2.437 22.209 166 HG12 VAL 20 HG12 VAL 20 10.002 -3.154 21.511 167 HG13 VAL 20 HG13 VAL 20 9.382 -1.593 20.872 168 HG21 VAL 20 HG21 VAL 20 7.337 -4.720 21.737 169 HG22 VAL 20 HG22 VAL 20 7.496 -5.459 20.090 170 HG23 VAL 20 HG23 VAL 20 8.941 -5.251 21.127 171 H THR 21 HN THR 21 5.734 -2.203 17.762 172 HA THR 21 HA THR 21 6.273 -1.341 15.844 173 HB THR 21 HB THR 21 4.804 0.264 16.754 174 HG1 THR 21 HG1 THR 21 5.278 1.815 15.188 175 HG21 THR 21 HG21 THR 21 5.540 2.499 17.440 176 HG22 THR 21 HG22 THR 21 7.269 2.074 17.192 177 HG23 THR 21 HG23 THR 21 6.310 1.288 18.522 178 H LYS 22 HN LYS 22 8.198 -2.650 16.134 179 HA LYS 22 HA LYS 22 10.629 -1.805 15.147 180 HB2 LYS 22 HB1 LYS 22 10.214 -1.288 18.107 181 HB3 LYS 22 HB2 LYS 22 11.720 -2.142 17.736 182 HG2 LYS 22 HG1 LYS 22 12.680 -0.431 16.504 183 HG3 LYS 22 HG2 LYS 22 11.173 0.485 16.270 184 HD2 LYS 22 HD1 LYS 22 12.065 -0.052 19.142 185 HD3 LYS 22 HD2 LYS 22 13.058 1.074 18.182 186 HE2 LYS 22 HE1 LYS 22 11.302 2.234 19.592 187 HE3 LYS 22 HE2 LYS 22 11.234 2.623 17.829 188 HZ1 LYS 22 HZ1 LYS 22 9.449 0.613 19.159 189 HZ2 LYS 22 HZ2 LYS 22 9.431 1.096 17.575 190 HZ3 LYS 22 HZ3 LYS 22 9.037 2.203 18.784 191 H LYS 23 HN LYS 23 11.542 -3.820 14.563 192 HA LYS 23 HA LYS 23 12.386 -5.294 16.742 193 HB2 LYS 23 HB1 LYS 23 11.677 -7.529 16.419 194 HB3 LYS 23 HB2 LYS 23 10.178 -6.572 16.443 195 HG2 LYS 23 HG1 LYS 23 9.967 -6.728 14.003 196 HG3 LYS 23 HG2 LYS 23 11.579 -7.501 13.838 197 HD2 LYS 23 HD1 LYS 23 10.751 -9.447 15.268 198 HD3 LYS 23 HD2 LYS 23 9.149 -8.662 15.291 199 HE2 LYS 23 HE1 LYS 23 9.014 -10.345 13.557 200 HE3 LYS 23 HE2 LYS 23 9.152 -8.762 12.700 201 HZ1 LYS 23 HZ1 LYS 23 11.580 -9.244 12.495 202 HZ2 LYS 23 HZ2 LYS 23 10.542 -10.374 11.731 203 HZ3 LYS 23 HZ3 LYS 23 11.310 -10.758 13.184 204 H SER 24 HN SER 24 13.930 -7.120 15.917 205 HA SER 24 HA SER 24 15.602 -7.801 14.625 206 HB2 SER 24 HB1 SER 24 13.744 -7.062 12.301 207 HB3 SER 24 HB2 SER 24 15.229 -8.056 12.142 208 HG SER 24 HG1 SER 24 14.324 -9.610 13.400 Start of MODEL 8 1 H1 PHE 1 HN PHE 1 4.179 2.259 -0.795 2 HA PHE 1 HA PHE 1 6.330 1.463 0.722 3 HB2 PHE 1 HB1 PHE 1 5.653 -0.891 1.377 4 HB3 PHE 1 HB2 PHE 1 4.716 0.377 2.241 5 HD1 PHE 1 HD1 PHE 1 2.360 0.703 1.835 6 HD2 PHE 1 HD2 PHE 1 4.549 -2.225 -0.415 7 HE1 PHE 1 HE1 PHE 1 0.228 -0.301 1.067 8 HE2 PHE 1 HE2 PHE 1 2.421 -3.225 -1.190 9 HZ PHE 1 HZ PHE 1 0.258 -2.265 -0.448 10 H LEU 2 HN LEU 2 7.111 -0.880 -0.265 11 HA LEU 2 HA LEU 2 6.676 -0.681 -3.177 12 HB2 LEU 2 HB1 LEU 2 9.238 -1.459 -1.664 13 HB3 LEU 2 HB2 LEU 2 9.038 -1.523 -3.448 14 HG LEU 2 HG LEU 2 8.907 1.028 -1.741 15 HD11 LEU 2 HD11 LEU 2 11.129 -0.041 -3.596 16 HD12 LEU 2 HD12 LEU 2 11.196 0.012 -1.793 17 HD13 LEU 2 HD13 LEU 2 11.125 1.543 -2.743 18 HD21 LEU 2 HD21 LEU 2 9.068 2.214 -3.947 19 HD22 LEU 2 HD22 LEU 2 7.546 1.276 -3.809 20 HD23 LEU 2 HD23 LEU 2 8.912 0.642 -4.807 21 HA PRO 3 HA PRO 3 5.177 -4.720 -2.588 22 HB2 PRO 3 HB1 PRO 3 5.594 -5.982 -5.080 23 HB3 PRO 3 HB2 PRO 3 4.370 -4.691 -4.789 24 HG2 PRO 3 HG1 PRO 3 7.214 -4.331 -5.884 25 HG3 PRO 3 HG2 PRO 3 5.664 -3.694 -6.566 26 HD2 PRO 3 HD1 PRO 3 7.242 -2.108 -4.986 27 HD3 PRO 3 HD2 PRO 3 5.436 -2.086 -4.765 28 H ILE 4 HN ILE 4 8.553 -4.650 -3.778 29 HA ILE 4 HA ILE 4 9.178 -7.270 -2.974 30 HB ILE 4 HB ILE 4 10.554 -6.044 -4.505 31 HG12 ILE 4 HG11 ILE 4 12.147 -6.724 -1.960 32 HG13 ILE 4 HG12 ILE 4 11.461 -7.932 -3.092 33 HG21 ILE 4 HG21 ILE 4 10.320 -3.728 -3.467 34 HG22 ILE 4 HG22 ILE 4 11.454 -4.251 -2.153 35 HG23 ILE 4 HG23 ILE 4 12.006 -4.182 -3.854 36 HD11 ILE 4 HD1 ILE 4 13.848 -7.560 -3.622 37 HD12 ILE 4 HD2 ILE 4 12.836 -6.941 -4.974 38 HD13 ILE 4 HD3 ILE 4 13.582 -5.793 -3.803 39 H LEU 5 HN LEU 5 9.328 -4.216 -1.096 40 HA LEU 5 HA LEU 5 10.321 -5.390 1.280 41 HB2 LEU 5 HB1 LEU 5 8.590 -2.877 0.877 42 HB3 LEU 5 HB2 LEU 5 9.503 -3.280 2.368 43 HG LEU 5 HG LEU 5 10.751 -2.704 -0.388 44 HD11 LEU 5 HD11 LEU 5 10.612 -0.977 2.163 45 HD12 LEU 5 HD12 LEU 5 9.695 -0.686 0.636 46 HD13 LEU 5 HD13 LEU 5 11.492 -0.567 0.647 47 HD21 LEU 5 HD21 LEU 5 12.211 -4.231 0.929 48 HD22 LEU 5 HD22 LEU 5 12.074 -3.145 2.366 49 HD23 LEU 5 HD23 LEU 5 12.911 -2.578 0.877 50 H ALA 6 HN ALA 6 6.990 -4.723 0.132 51 HA ALA 6 HA ALA 6 5.635 -5.692 2.376 52 HB1 ALA 6 HB1 ALA 6 3.673 -5.828 0.831 53 HB2 ALA 6 HB2 ALA 6 4.596 -4.307 0.573 54 HB3 ALA 6 HB3 ALA 6 4.782 -5.676 -0.583 55 H SER 7 HN SER 7 6.761 -7.446 -0.546 56 HA SER 7 HA SER 7 5.670 -9.928 0.022 57 HB2 SER 7 HB1 SER 7 6.751 -9.327 -2.143 58 HB3 SER 7 HB2 SER 7 8.355 -9.326 -1.352 59 HG SER 7 HG1 SER 7 7.693 -11.263 -2.525 60 H LEU 8 HN LEU 8 8.879 -8.652 1.176 61 HA LEU 8 HA LEU 8 9.386 -11.006 2.745 62 HB2 LEU 8 HB1 LEU 8 10.536 -8.179 2.672 63 HB3 LEU 8 HB2 LEU 8 10.949 -9.301 4.002 64 HG LEU 8 HG LEU 8 11.786 -10.983 2.359 65 HD11 LEU 8 HD11 LEU 8 10.672 -10.254 0.234 66 HD12 LEU 8 HD12 LEU 8 12.463 -10.215 0.072 67 HD13 LEU 8 HD13 LEU 8 11.558 -8.682 0.314 68 HD21 LEU 8 HD21 LEU 8 13.287 -9.438 3.623 69 HD22 LEU 8 HD22 LEU 8 13.141 -8.215 2.305 70 HD23 LEU 8 HD23 LEU 8 13.942 -9.794 1.983 71 H ALA 9 HN ALA 9 8.057 -7.745 3.581 72 HA ALA 9 HA ALA 9 7.922 -8.194 6.301 73 HB1 ALA 9 HB1 ALA 9 6.237 -6.311 4.547 74 HB2 ALA 9 HB2 ALA 9 6.483 -6.145 6.329 75 HB3 ALA 9 HB3 ALA 9 7.872 -5.952 5.199 76 H ALA 10 HN ALA 10 5.264 -8.696 3.896 77 HA ALA 10 HA ALA 10 3.368 -9.488 5.844 78 HB1 ALA 10 HB1 ALA 10 2.063 -10.270 3.853 79 HB2 ALA 10 HB2 ALA 10 2.757 -8.632 3.578 80 HB3 ALA 10 HB3 ALA 10 3.533 -10.064 2.823 81 H LYS 11 HN LYS 11 5.677 -11.334 3.844 82 HA LYS 11 HA LYS 11 4.614 -13.881 4.474 83 HB2 LYS 11 HB1 LYS 11 5.785 -13.343 2.432 84 HB3 LYS 11 HB2 LYS 11 7.298 -12.969 3.332 85 HG2 LYS 11 HG1 LYS 11 7.745 -15.259 3.776 86 HG3 LYS 11 HG2 LYS 11 6.050 -15.751 3.529 87 HD2 LYS 11 HD1 LYS 11 7.596 -16.523 1.743 88 HD3 LYS 11 HD2 LYS 11 6.187 -15.627 1.136 89 HE2 LYS 11 HE1 LYS 11 8.946 -14.250 1.496 90 HE3 LYS 11 HE2 LYS 11 8.542 -15.237 0.038 91 HZ1 LYS 11 HZ1 LYS 11 7.183 -12.763 0.959 92 HZ2 LYS 11 HZ2 LYS 11 6.537 -13.785 -0.217 93 HZ3 LYS 11 HZ3 LYS 11 7.998 -12.990 -0.469 94 H PHE 12 HN PHE 12 7.518 -12.187 5.879 95 HA PHE 12 HA PHE 12 7.810 -14.180 7.926 96 HB2 PHE 12 HB1 PHE 12 8.660 -11.210 7.879 97 HB3 PHE 12 HB2 PHE 12 9.224 -12.434 9.084 98 HD1 PHE 12 HD1 PHE 12 10.419 -10.671 6.488 99 HD2 PHE 12 HD2 PHE 12 9.930 -14.801 7.586 100 HE1 PHE 12 HE1 PHE 12 12.303 -11.293 5.008 101 HE2 PHE 12 HE2 PHE 12 11.797 -15.415 6.098 102 HZ PHE 12 HZ PHE 12 12.987 -13.667 4.804 103 H GLY 13 HN GLY 13 6.032 -11.172 7.564 104 HA2 GLY 13 HA1 GLY 13 4.022 -10.694 8.298 105 HA3 GLY 13 HA2 GLY 13 4.104 -11.967 9.563 106 HA PRO 14 HA PRO 14 5.917 -7.827 10.869 107 HB2 PRO 14 HB1 PRO 14 4.005 -5.822 11.099 108 HB3 PRO 14 HB2 PRO 14 4.638 -6.349 9.494 109 HG2 PRO 14 HG1 PRO 14 2.086 -7.361 10.883 110 HG3 PRO 14 HG2 PRO 14 2.230 -6.642 9.225 111 HD2 PRO 14 HD1 PRO 14 2.302 -9.368 9.562 112 HD3 PRO 14 HD2 PRO 14 3.461 -8.555 8.412 113 H LYS 15 HN LYS 15 3.926 -9.892 12.335 114 HA LYS 15 HA LYS 15 2.775 -8.779 14.534 115 HB2 LYS 15 HB1 LYS 15 4.221 -11.509 14.675 116 HB3 LYS 15 HB2 LYS 15 2.758 -10.974 15.539 117 HG2 LYS 15 HG1 LYS 15 1.742 -12.317 14.013 118 HG3 LYS 15 HG2 LYS 15 1.721 -10.805 13.077 119 HD2 LYS 15 HD1 LYS 15 2.379 -12.556 11.582 120 HD3 LYS 15 HD2 LYS 15 3.877 -11.619 11.912 121 HE2 LYS 15 HE1 LYS 15 4.698 -13.393 13.459 122 HE3 LYS 15 HE2 LYS 15 3.160 -14.317 13.237 123 HZ1 LYS 15 HZ1 LYS 15 3.701 -14.527 10.868 124 HZ2 LYS 15 HZ2 LYS 15 4.937 -15.174 11.818 125 HZ3 LYS 15 HZ3 LYS 15 5.146 -13.699 11.063 126 H LEU 16 HN LEU 16 6.149 -9.948 14.326 127 HA LEU 16 HA LEU 16 6.828 -9.517 17.015 128 HB2 LEU 16 HB1 LEU 16 8.641 -9.510 14.511 129 HB3 LEU 16 HB2 LEU 16 9.184 -9.689 16.206 130 HG LEU 16 HG LEU 16 9.331 -11.803 15.289 131 HD11 LEU 16 HD11 LEU 16 8.269 -11.805 17.552 132 HD12 LEU 16 HD12 LEU 16 7.799 -13.235 16.570 133 HD13 LEU 16 HD13 LEU 16 6.636 -11.880 16.786 134 HD21 LEU 16 HD21 LEU 16 6.462 -11.798 14.188 135 HD22 LEU 16 HD22 LEU 16 7.734 -13.055 14.003 136 HD23 LEU 16 HD23 LEU 16 7.951 -11.452 13.217 137 H PHE 17 HN PHE 17 6.899 -7.428 14.190 138 HA PHE 17 HA PHE 17 8.442 -5.308 15.358 139 HB2 PHE 17 HB1 PHE 17 8.319 -6.084 12.866 140 HB3 PHE 17 HB2 PHE 17 6.695 -5.336 12.796 141 HD1 PHE 17 HD1 PHE 17 6.598 -2.756 13.467 142 HD2 PHE 17 HD2 PHE 17 10.158 -4.844 12.258 143 HE1 PHE 17 HE1 PHE 17 7.617 -0.622 12.770 144 HE2 PHE 17 HE2 PHE 17 11.177 -2.704 11.566 145 HZ PHE 17 HZ PHE 17 9.904 -0.588 11.807 146 H SER 18 HN SER 18 4.946 -5.866 14.608 147 HA SER 18 HA SER 18 4.195 -3.245 14.940 148 HB2 SER 18 HB1 SER 18 1.835 -4.067 14.987 149 HB3 SER 18 HB2 SER 18 2.827 -4.810 13.693 150 HG SER 18 HG1 SER 18 1.806 -5.989 16.023 151 H LEU 19 HN LEU 19 4.025 -5.811 17.472 152 HA LEU 19 HA LEU 19 2.686 -4.030 19.247 153 HB2 LEU 19 HB1 LEU 19 2.708 -5.809 20.856 154 HB3 LEU 19 HB2 LEU 19 2.304 -6.441 19.242 155 HG LEU 19 HG LEU 19 5.027 -6.897 19.244 156 HD11 LEU 19 HD11 LEU 19 5.662 -7.826 21.480 157 HD12 LEU 19 HD12 LEU 19 4.063 -7.351 22.150 158 HD13 LEU 19 HD13 LEU 19 5.228 -6.079 21.664 159 HD21 LEU 19 HD21 LEU 19 3.221 -8.534 18.681 160 HD22 LEU 19 HD22 LEU 19 2.852 -8.731 20.435 161 HD23 LEU 19 HD23 LEU 19 4.446 -9.264 19.787 162 H VAL 20 HN VAL 20 6.034 -4.293 18.504 163 HA VAL 20 HA VAL 20 6.694 -2.750 20.963 164 HB VAL 20 HB VAL 20 8.590 -4.243 19.088 165 HG11 VAL 20 HG11 VAL 20 8.977 -2.838 21.827 166 HG12 VAL 20 HG12 VAL 20 10.190 -3.944 21.094 167 HG13 VAL 20 HG13 VAL 20 9.784 -2.403 20.276 168 HG21 VAL 20 HG21 VAL 20 7.206 -5.906 20.295 169 HG22 VAL 20 HG22 VAL 20 8.756 -5.774 21.231 170 HG23 VAL 20 HG23 VAL 20 7.289 -4.935 21.807 171 H THR 21 HN THR 21 5.582 -2.274 18.006 172 HA THR 21 HA THR 21 5.691 -0.950 16.317 173 HB THR 21 HB THR 21 4.615 0.454 17.828 174 HG1 THR 21 HG1 THR 21 4.788 1.609 16.093 175 HG21 THR 21 HG21 THR 21 7.384 1.491 18.701 176 HG22 THR 21 HG22 THR 21 6.133 0.671 19.689 177 HG23 THR 21 HG23 THR 21 5.809 2.314 19.065 178 H LYS 22 HN LYS 22 8.613 -1.881 17.288 179 HA LYS 22 HA LYS 22 9.831 -1.048 14.820 180 HB2 LYS 22 HB1 LYS 22 11.218 -0.456 17.527 181 HB3 LYS 22 HB2 LYS 22 12.015 -0.419 15.925 182 HG2 LYS 22 HG1 LYS 22 11.695 1.812 16.133 183 HG3 LYS 22 HG2 LYS 22 10.141 1.389 15.358 184 HD2 LYS 22 HD1 LYS 22 9.325 1.132 17.936 185 HD3 LYS 22 HD2 LYS 22 10.808 2.035 18.302 186 HE2 LYS 22 HE1 LYS 22 8.952 3.647 18.203 187 HE3 LYS 22 HE2 LYS 22 10.003 3.914 16.753 188 HZ1 LYS 22 HZ1 LYS 22 7.909 3.825 15.812 189 HZ2 LYS 22 HZ2 LYS 22 7.302 2.692 16.906 190 HZ3 LYS 22 HZ3 LYS 22 8.324 2.175 15.742 191 H LYS 23 HN LYS 23 11.725 -2.457 14.336 192 HA LYS 23 HA LYS 23 12.669 -4.257 16.264 193 HB2 LYS 23 HB1 LYS 23 10.458 -5.301 14.845 194 HB3 LYS 23 HB2 LYS 23 11.824 -5.902 13.885 195 HG2 LYS 23 HG1 LYS 23 11.291 -7.599 15.481 196 HG3 LYS 23 HG2 LYS 23 12.807 -6.871 16.099 197 HD2 LYS 23 HD1 LYS 23 11.497 -5.508 17.746 198 HD3 LYS 23 HD2 LYS 23 9.987 -6.006 16.944 199 HE2 LYS 23 HE1 LYS 23 10.614 -8.466 17.660 200 HE3 LYS 23 HE2 LYS 23 11.809 -7.688 18.781 201 HZ1 LYS 23 HZ1 LYS 23 9.928 -6.335 19.622 202 HZ2 LYS 23 HZ2 LYS 23 9.658 -7.999 19.856 203 HZ3 LYS 23 HZ3 LYS 23 8.892 -7.166 18.589 204 H SER 24 HN SER 24 14.387 -5.759 15.071 205 HA SER 24 HA SER 24 15.210 -4.847 12.501 206 HB2 SER 24 HB1 SER 24 16.475 -3.187 13.901 207 HB3 SER 24 HB2 SER 24 17.169 -4.539 14.865 208 HG SER 24 HG1 SER 24 18.537 -3.800 13.115 Start of MODEL 9 1 H1 PHE 1 HN PHE 1 5.909 -0.378 2.476 2 HA PHE 1 HA PHE 1 3.778 -0.075 0.791 3 HB2 PHE 1 HB1 PHE 1 4.232 2.417 1.217 4 HB3 PHE 1 HB2 PHE 1 5.881 2.189 0.540 5 HD1 PHE 1 HD1 PHE 1 6.091 2.884 -1.678 6 HD2 PHE 1 HD2 PHE 1 2.287 1.349 -0.392 7 HE1 PHE 1 HE1 PHE 1 5.176 3.244 -3.949 8 HE2 PHE 1 HE2 PHE 1 1.379 1.701 -2.668 9 HZ PHE 1 HZ PHE 1 2.823 2.644 -4.448 10 H LEU 2 HN LEU 2 4.851 -0.074 -1.609 11 HA LEU 2 HA LEU 2 5.980 -1.113 -3.095 12 HB2 LEU 2 HB1 LEU 2 8.286 -1.387 -1.145 13 HB3 LEU 2 HB2 LEU 2 8.381 -1.742 -2.899 14 HG LEU 2 HG LEU 2 7.700 0.993 -1.676 15 HD11 LEU 2 HD11 LEU 2 10.292 -0.028 -3.001 16 HD12 LEU 2 HD12 LEU 2 10.058 0.318 -1.245 17 HD13 LEU 2 HD13 LEU 2 9.976 1.656 -2.448 18 HD21 LEU 2 HD21 LEU 2 8.242 0.178 -4.610 19 HD22 LEU 2 HD22 LEU 2 8.087 1.863 -4.005 20 HD23 LEU 2 HD23 LEU 2 6.668 0.766 -3.941 21 HA PRO 3 HA PRO 3 4.470 -5.118 -2.213 22 HB2 PRO 3 HB1 PRO 3 4.778 -6.442 -4.673 23 HB3 PRO 3 HB2 PRO 3 3.564 -5.141 -4.388 24 HG2 PRO 3 HG1 PRO 3 6.371 -4.822 -5.591 25 HG3 PRO 3 HG2 PRO 3 4.799 -4.225 -6.258 26 HD2 PRO 3 HD1 PRO 3 6.424 -2.574 -4.778 27 HD3 PRO 3 HD2 PRO 3 4.619 -2.528 -4.543 28 H ILE 4 HN ILE 4 7.788 -4.975 -3.556 29 HA ILE 4 HA ILE 4 8.497 -7.564 -2.697 30 HB ILE 4 HB ILE 4 9.782 -6.429 -4.361 31 HG12 ILE 4 HG11 ILE 4 12.084 -6.745 -3.528 32 HG13 ILE 4 HG12 ILE 4 11.510 -6.849 -1.844 33 HG21 ILE 4 HG21 ILE 4 10.669 -4.399 -2.205 34 HG22 ILE 4 HG22 ILE 4 11.209 -4.482 -3.908 35 HG23 ILE 4 HG23 ILE 4 9.507 -4.047 -3.550 36 HD11 ILE 4 HD1 ILE 4 10.251 -8.958 -2.380 37 HD12 ILE 4 HD2 ILE 4 10.705 -8.794 -4.123 38 HD13 ILE 4 HD3 ILE 4 11.969 -9.110 -2.884 39 H LEU 5 HN LEU 5 8.723 -4.413 -0.946 40 HA LEU 5 HA LEU 5 9.907 -5.551 1.371 41 HB2 LEU 5 HB1 LEU 5 8.269 -2.976 1.052 42 HB3 LEU 5 HB2 LEU 5 9.289 -3.395 2.464 43 HG LEU 5 HG LEU 5 10.266 -2.857 -0.402 44 HD11 LEU 5 HD11 LEU 5 11.262 -0.811 0.594 45 HD12 LEU 5 HD12 LEU 5 10.589 -1.249 2.209 46 HD13 LEU 5 HD13 LEU 5 9.476 -0.842 0.853 47 HD21 LEU 5 HD21 LEU 5 11.778 -4.531 0.653 48 HD22 LEU 5 HD22 LEU 5 11.887 -3.515 2.144 49 HD23 LEU 5 HD23 LEU 5 12.576 -2.923 0.590 50 H ALA 6 HN ALA 6 6.517 -4.805 0.480 51 HA ALA 6 HA ALA 6 5.325 -5.682 2.842 52 HB1 ALA 6 HB1 ALA 6 4.267 -5.793 -0.050 53 HB2 ALA 6 HB2 ALA 6 3.254 -5.848 1.444 54 HB3 ALA 6 HB3 ALA 6 4.187 -4.361 1.035 55 H SER 7 HN SER 7 6.167 -7.572 -0.098 56 HA SER 7 HA SER 7 5.206 -10.053 0.734 57 HB2 SER 7 HB1 SER 7 5.941 -9.577 -1.587 58 HB3 SER 7 HB2 SER 7 7.636 -9.407 -1.040 59 HG SER 7 HG1 SER 7 6.866 -11.480 -1.987 60 H LEU 8 HN LEU 8 8.472 -8.597 1.376 61 HA LEU 8 HA LEU 8 9.360 -10.841 2.902 62 HB2 LEU 8 HB1 LEU 8 10.197 -7.894 2.926 63 HB3 LEU 8 HB2 LEU 8 11.093 -9.207 3.756 64 HG LEU 8 HG LEU 8 10.599 -9.087 0.719 65 HD11 LEU 8 HD11 LEU 8 11.986 -7.169 1.467 66 HD12 LEU 8 HD12 LEU 8 12.964 -8.358 0.534 67 HD13 LEU 8 HD13 LEU 8 13.102 -8.294 2.331 68 HD21 LEU 8 HD21 LEU 8 11.031 -11.418 1.564 69 HD22 LEU 8 HD22 LEU 8 12.536 -10.829 2.372 70 HD23 LEU 8 HD23 LEU 8 12.403 -10.787 0.580 71 H ALA 9 HN ALA 9 7.891 -7.692 3.922 72 HA ALA 9 HA ALA 9 8.094 -8.162 6.642 73 HB1 ALA 9 HB1 ALA 9 6.480 -6.250 6.835 74 HB2 ALA 9 HB2 ALA 9 7.727 -5.930 5.575 75 HB3 ALA 9 HB3 ALA 9 6.075 -6.437 5.082 76 H ALA 10 HN ALA 10 5.260 -8.865 4.507 77 HA ALA 10 HA ALA 10 3.605 -9.809 6.578 78 HB1 ALA 10 HB1 ALA 10 2.274 -10.804 4.695 79 HB2 ALA 10 HB2 ALA 10 2.779 -9.114 4.328 80 HB3 ALA 10 HB3 ALA 10 3.655 -10.487 3.574 81 H LYS 11 HN LYS 11 5.894 -11.487 4.443 82 HA LYS 11 HA LYS 11 5.283 -14.121 5.239 83 HB2 LYS 11 HB1 LYS 11 6.232 -13.527 3.104 84 HB3 LYS 11 HB2 LYS 11 7.691 -12.817 3.888 85 HG2 LYS 11 HG1 LYS 11 8.574 -14.955 4.461 86 HG3 LYS 11 HG2 LYS 11 7.012 -15.782 4.227 87 HD2 LYS 11 HD1 LYS 11 8.721 -16.250 2.460 88 HD3 LYS 11 HD2 LYS 11 7.150 -15.705 1.832 89 HE2 LYS 11 HE1 LYS 11 9.523 -13.734 2.171 90 HE3 LYS 11 HE2 LYS 11 9.363 -14.810 0.729 91 HZ1 LYS 11 HZ1 LYS 11 7.459 -12.701 1.604 92 HZ2 LYS 11 HZ2 LYS 11 7.080 -13.858 0.445 93 HZ3 LYS 11 HZ3 LYS 11 8.325 -12.758 0.182 94 H PHE 12 HN PHE 12 7.741 -11.823 6.528 95 HA PHE 12 HA PHE 12 8.756 -13.929 8.271 96 HB2 PHE 12 HB1 PHE 12 9.515 -10.964 8.009 97 HB3 PHE 12 HB2 PHE 12 10.419 -12.196 8.972 98 HD1 PHE 12 HD1 PHE 12 11.289 -10.355 6.619 99 HD2 PHE 12 HD2 PHE 12 10.247 -14.523 6.849 100 HE1 PHE 12 HE1 PHE 12 12.757 -10.836 4.689 101 HE2 PHE 12 HE2 PHE 12 11.684 -14.990 4.914 102 HZ PHE 12 HZ PHE 12 12.947 -13.153 3.820 103 H GLY 13 HN GLY 13 6.023 -12.169 8.506 104 HA2 GLY 13 HA1 GLY 13 4.627 -12.555 10.299 105 HA3 GLY 13 HA2 GLY 13 6.039 -12.754 11.368 106 HA PRO 14 HA PRO 14 5.551 -8.121 10.947 107 HB2 PRO 14 HB1 PRO 14 3.099 -6.954 10.259 108 HB3 PRO 14 HB2 PRO 14 4.251 -7.615 9.035 109 HG2 PRO 14 HG1 PRO 14 1.855 -9.087 10.273 110 HG3 PRO 14 HG2 PRO 14 2.235 -8.859 8.514 111 HD2 PRO 14 HD1 PRO 14 2.994 -11.152 9.822 112 HD3 PRO 14 HD2 PRO 14 4.137 -10.361 8.649 113 H LYS 15 HN LYS 15 3.460 -10.161 12.660 114 HA LYS 15 HA LYS 15 2.354 -8.306 14.455 115 HB2 LYS 15 HB1 LYS 15 1.457 -10.611 14.216 116 HB3 LYS 15 HB2 LYS 15 2.965 -11.274 14.910 117 HG2 LYS 15 HG1 LYS 15 1.189 -11.272 16.618 118 HG3 LYS 15 HG2 LYS 15 2.494 -10.154 17.080 119 HD2 LYS 15 HD1 LYS 15 0.776 -8.432 15.706 120 HD3 LYS 15 HD2 LYS 15 -0.396 -9.590 16.378 121 HE2 LYS 15 HE1 LYS 15 0.179 -9.009 18.665 122 HE3 LYS 15 HE2 LYS 15 1.787 -8.345 18.168 123 HZ1 LYS 15 HZ1 LYS 15 -0.830 -7.119 17.449 124 HZ2 LYS 15 HZ2 LYS 15 0.720 -6.554 17.069 125 HZ3 LYS 15 HZ3 LYS 15 0.213 -6.591 18.684 126 H LEU 16 HN LEU 16 5.522 -10.039 14.610 127 HA LEU 16 HA LEU 16 6.177 -9.104 17.187 128 HB2 LEU 16 HB1 LEU 16 8.428 -9.913 16.766 129 HB3 LEU 16 HB2 LEU 16 7.201 -11.075 16.207 130 HG LEU 16 HG LEU 16 7.629 -9.779 13.837 131 HD11 LEU 16 HD11 LEU 16 10.361 -9.704 15.277 132 HD12 LEU 16 HD12 LEU 16 9.427 -8.259 14.721 133 HD13 LEU 16 HD13 LEU 16 10.075 -9.434 13.523 134 HD21 LEU 16 HD21 LEU 16 9.086 -11.678 13.227 135 HD22 LEU 16 HD22 LEU 16 7.711 -12.234 14.236 136 HD23 LEU 16 HD23 LEU 16 9.356 -12.068 14.967 137 H PHE 17 HN PHE 17 6.728 -7.716 13.974 138 HA PHE 17 HA PHE 17 8.181 -5.441 14.758 139 HB2 PHE 17 HB1 PHE 17 7.862 -6.437 12.411 140 HB3 PHE 17 HB2 PHE 17 6.192 -5.791 12.409 141 HD1 PHE 17 HD1 PHE 17 9.714 -5.072 11.874 142 HD2 PHE 17 HD2 PHE 17 5.856 -3.280 12.487 143 HE1 PHE 17 HE1 PHE 17 10.530 -2.971 10.868 144 HE2 PHE 17 HE2 PHE 17 6.672 -1.177 11.483 145 HZ PHE 17 HZ PHE 17 9.017 -1.019 10.661 146 H SER 18 HN SER 18 4.645 -5.960 14.390 147 HA SER 18 HA SER 18 3.869 -3.369 14.919 148 HB2 SER 18 HB1 SER 18 1.610 -4.109 15.216 149 HB3 SER 18 HB2 SER 18 2.364 -5.171 13.987 150 HG SER 18 HG1 SER 18 2.766 -6.634 15.807 151 H LEU 19 HN LEU 19 4.479 -5.881 17.434 152 HA LEU 19 HA LEU 19 2.998 -4.361 19.338 153 HB2 LEU 19 HB1 LEU 19 3.372 -6.127 20.894 154 HB3 LEU 19 HB2 LEU 19 3.003 -6.809 19.285 155 HG LEU 19 HG LEU 19 5.772 -6.807 19.200 156 HD11 LEU 19 HD11 LEU 19 6.615 -7.649 21.381 157 HD12 LEU 19 HD12 LEU 19 4.973 -7.517 22.105 158 HD13 LEU 19 HD13 LEU 19 5.858 -6.028 21.646 159 HD21 LEU 19 HD21 LEU 19 4.252 -8.720 18.626 160 HD22 LEU 19 HD22 LEU 19 3.959 -9.008 20.387 161 HD23 LEU 19 HD23 LEU 19 5.603 -9.245 19.699 162 H VAL 20 HN VAL 20 6.325 -4.114 18.424 163 HA VAL 20 HA VAL 20 6.603 -2.181 20.655 164 HB VAL 20 HB VAL 20 9.021 -3.475 19.368 165 HG11 VAL 20 HG11 VAL 20 10.056 -2.697 21.585 166 HG12 VAL 20 HG12 VAL 20 9.388 -1.315 20.654 167 HG13 VAL 20 HG13 VAL 20 8.472 -1.991 22.045 168 HG21 VAL 20 HG21 VAL 20 7.773 -5.362 20.403 169 HG22 VAL 20 HG22 VAL 20 9.074 -4.884 21.565 170 HG23 VAL 20 HG23 VAL 20 7.388 -4.354 21.846 171 H THR 21 HN THR 21 5.415 -2.090 17.951 172 HA THR 21 HA THR 21 5.159 -0.897 16.220 173 HB THR 21 HB THR 21 4.840 0.821 17.830 174 HG1 THR 21 HG1 THR 21 4.590 2.279 16.411 175 HG21 THR 21 HG21 THR 21 7.761 1.642 17.235 176 HG22 THR 21 HG22 THR 21 7.030 1.210 18.818 177 HG23 THR 21 HG23 THR 21 6.534 2.721 18.007 178 H LYS 22 HN LYS 22 8.582 -1.246 16.826 179 HA LYS 22 HA LYS 22 8.823 -1.858 14.020 180 HB2 LYS 22 HB1 LYS 22 10.788 0.140 15.329 181 HB3 LYS 22 HB2 LYS 22 11.073 -0.724 13.789 182 HG2 LYS 22 HG1 LYS 22 10.359 1.206 12.868 183 HG3 LYS 22 HG2 LYS 22 8.778 0.395 13.051 184 HD2 LYS 22 HD1 LYS 22 8.793 1.662 15.448 185 HD3 LYS 22 HD2 LYS 22 10.081 2.643 14.709 186 HE2 LYS 22 HE1 LYS 22 7.982 3.867 14.403 187 HE3 LYS 22 HE2 LYS 22 8.443 3.199 12.784 188 HZ1 LYS 22 HZ1 LYS 22 6.994 1.215 13.577 189 HZ2 LYS 22 HZ2 LYS 22 6.201 2.618 13.020 190 HZ3 LYS 22 HZ3 LYS 22 6.349 2.243 14.669 191 H LYS 23 HN LYS 23 10.566 -3.296 13.565 192 HA LYS 23 HA LYS 23 12.427 -3.983 15.637 193 HB2 LYS 23 HB1 LYS 23 10.599 -6.075 14.283 194 HB3 LYS 23 HB2 LYS 23 12.135 -6.511 15.081 195 HG2 LYS 23 HG1 LYS 23 9.676 -5.319 16.482 196 HG3 LYS 23 HG2 LYS 23 10.195 -7.030 16.497 197 HD2 LYS 23 HD1 LYS 23 12.389 -6.297 17.587 198 HD3 LYS 23 HD2 LYS 23 11.718 -4.628 17.660 199 HE2 LYS 23 HE1 LYS 23 9.720 -5.612 18.983 200 HE3 LYS 23 HE2 LYS 23 10.664 -7.147 19.120 201 HZ1 LYS 23 HZ1 LYS 23 11.008 -5.720 21.027 202 HZ2 LYS 23 HZ2 LYS 23 11.515 -4.442 20.039 203 HZ3 LYS 23 HZ3 LYS 23 12.456 -5.848 20.153 204 H SER 24 HN SER 24 14.249 -5.329 14.580 205 HA SER 24 HA SER 24 14.452 -4.723 11.716 206 HB2 SER 24 HB1 SER 24 16.862 -5.429 12.015 207 HB3 SER 24 HB2 SER 24 16.401 -4.006 13.012 208 HG SER 24 HG1 SER 24 17.567 -5.632 14.194 Start of MODEL 10 1 H1 PHE 1 HN PHE 1 6.607 0.728 1.786 2 HA PHE 1 HA PHE 1 4.317 -0.314 1.468 3 HB2 PHE 1 HB1 PHE 1 5.189 1.975 -0.432 4 HB3 PHE 1 HB2 PHE 1 3.486 1.611 0.045 5 HD1 PHE 1 HD1 PHE 1 6.383 3.524 0.853 6 HD2 PHE 1 HD2 PHE 1 3.022 1.526 2.628 7 HE1 PHE 1 HE1 PHE 1 6.633 4.916 2.885 8 HE2 PHE 1 HE2 PHE 1 3.271 2.914 4.666 9 HZ PHE 1 HZ PHE 1 5.080 4.611 4.797 10 H LEU 2 HN LEU 2 6.653 -0.395 -1.109 11 HA LEU 2 HA LEU 2 5.053 -1.259 -3.216 12 HB2 LEU 2 HB1 LEU 2 8.041 -1.685 -2.617 13 HB3 LEU 2 HB2 LEU 2 7.272 -2.217 -4.141 14 HG LEU 2 HG LEU 2 6.561 0.181 -4.573 15 HD11 LEU 2 HD11 LEU 2 6.858 1.280 -2.370 16 HD12 LEU 2 HD12 LEU 2 8.017 1.972 -3.549 17 HD13 LEU 2 HD13 LEU 2 8.603 0.785 -2.331 18 HD21 LEU 2 HD21 LEU 2 9.572 -0.474 -4.431 19 HD22 LEU 2 HD22 LEU 2 8.803 0.768 -5.484 20 HD23 LEU 2 HD23 LEU 2 8.435 -0.973 -5.741 21 HA PRO 3 HA PRO 3 3.878 -5.203 -2.072 22 HB2 PRO 3 HB1 PRO 3 3.841 -6.749 -4.463 23 HB3 PRO 3 HB2 PRO 3 2.641 -5.477 -4.026 24 HG2 PRO 3 HG1 PRO 3 5.158 -5.145 -5.748 25 HG3 PRO 3 HG2 PRO 3 3.470 -4.607 -6.120 26 HD2 PRO 3 HD1 PRO 3 5.272 -2.837 -5.090 27 HD3 PRO 3 HD2 PRO 3 3.578 -2.860 -4.421 28 H ILE 4 HN ILE 4 6.957 -5.388 -3.884 29 HA ILE 4 HA ILE 4 7.720 -7.892 -2.837 30 HB ILE 4 HB ILE 4 8.773 -6.943 -4.772 31 HG12 ILE 4 HG11 ILE 4 10.827 -7.285 -2.506 32 HG13 ILE 4 HG12 ILE 4 9.938 -8.627 -3.294 33 HG21 ILE 4 HG21 ILE 4 8.741 -4.493 -4.062 34 HG22 ILE 4 HG22 ILE 4 10.107 -4.851 -2.927 35 HG23 ILE 4 HG23 ILE 4 10.323 -5.044 -4.694 36 HD11 ILE 4 HD1 ILE 4 10.925 -7.958 -5.529 37 HD12 ILE 4 HD2 ILE 4 11.880 -6.673 -4.705 38 HD13 ILE 4 HD3 ILE 4 12.179 -8.402 -4.318 39 H LEU 5 HN LEU 5 8.154 -4.603 -1.497 40 HA LEU 5 HA LEU 5 9.663 -5.393 0.771 41 HB2 LEU 5 HB1 LEU 5 7.871 -2.928 0.356 42 HB3 LEU 5 HB2 LEU 5 9.119 -3.119 1.626 43 HG LEU 5 HG LEU 5 9.629 -2.997 -1.408 44 HD11 LEU 5 HD11 LEU 5 8.868 -0.832 -0.409 45 HD12 LEU 5 HD12 LEU 5 10.594 -0.764 -0.931 46 HD13 LEU 5 HD13 LEU 5 10.186 -0.937 0.816 47 HD21 LEU 5 HD21 LEU 5 11.624 -3.117 0.946 48 HD22 LEU 5 HD22 LEU 5 12.048 -2.780 -0.772 49 HD23 LEU 5 HD23 LEU 5 11.382 -4.386 -0.318 50 H ALA 6 HN ALA 6 6.172 -4.812 0.219 51 HA ALA 6 HA ALA 6 5.312 -5.381 2.821 52 HB1 ALA 6 HB1 ALA 6 3.070 -5.660 1.742 53 HB2 ALA 6 HB2 ALA 6 3.938 -4.245 1.041 54 HB3 ALA 6 HB3 ALA 6 3.868 -5.791 0.129 55 H SER 7 HN SER 7 5.689 -7.594 -0.001 56 HA SER 7 HA SER 7 4.806 -9.920 1.269 57 HB2 SER 7 HB1 SER 7 5.114 -9.657 -1.199 58 HB3 SER 7 HB2 SER 7 6.894 -9.662 -0.971 59 HG SER 7 HG1 SER 7 5.902 -11.734 -1.529 60 H LEU 8 HN LEU 8 8.248 -8.706 1.002 61 HA LEU 8 HA LEU 8 9.183 -10.859 2.567 62 HB2 LEU 8 HB1 LEU 8 11.341 -9.882 2.618 63 HB3 LEU 8 HB2 LEU 8 10.605 -9.674 1.005 64 HG LEU 8 HG LEU 8 9.938 -7.268 1.931 65 HD11 LEU 8 HD11 LEU 8 12.482 -7.912 3.576 66 HD12 LEU 8 HD12 LEU 8 10.855 -7.559 4.274 67 HD13 LEU 8 HD13 LEU 8 11.739 -6.286 3.364 68 HD21 LEU 8 HD21 LEU 8 11.352 -7.736 -0.048 69 HD22 LEU 8 HD22 LEU 8 12.782 -8.034 1.013 70 HD23 LEU 8 HD23 LEU 8 12.048 -6.390 0.924 71 H ALA 9 HN ALA 9 8.050 -7.608 3.590 72 HA ALA 9 HA ALA 9 8.695 -7.909 6.296 73 HB1 ALA 9 HB1 ALA 9 6.386 -6.378 4.955 74 HB2 ALA 9 HB2 ALA 9 6.986 -6.095 6.637 75 HB3 ALA 9 HB3 ALA 9 8.044 -5.747 5.218 76 H ALA 10 HN ALA 10 5.692 -8.875 4.541 77 HA ALA 10 HA ALA 10 4.347 -9.927 6.762 78 HB1 ALA 10 HB1 ALA 10 2.945 -11.073 5.019 79 HB2 ALA 10 HB2 ALA 10 3.264 -9.352 4.587 80 HB3 ALA 10 HB3 ALA 10 4.187 -10.658 3.776 81 H LYS 11 HN LYS 11 6.428 -11.553 4.328 82 HA LYS 11 HA LYS 11 6.251 -14.125 5.367 83 HB2 LYS 11 HB1 LYS 11 6.887 -13.515 3.083 84 HB3 LYS 11 HB2 LYS 11 8.381 -12.738 3.651 85 HG2 LYS 11 HG1 LYS 11 8.011 -15.656 4.417 86 HG3 LYS 11 HG2 LYS 11 8.161 -15.308 2.668 87 HD2 LYS 11 HD1 LYS 11 10.249 -14.030 3.043 88 HD3 LYS 11 HD2 LYS 11 10.172 -14.373 4.803 89 HE2 LYS 11 HE1 LYS 11 10.440 -16.811 4.401 90 HE3 LYS 11 HE2 LYS 11 10.356 -16.561 2.609 91 HZ1 LYS 11 HZ1 LYS 11 12.634 -16.756 3.500 92 HZ2 LYS 11 HZ2 LYS 11 12.392 -15.314 4.377 93 HZ3 LYS 11 HZ3 LYS 11 12.342 -15.295 2.687 94 H PHE 12 HN PHE 12 8.567 -11.527 6.202 95 HA PHE 12 HA PHE 12 9.845 -13.307 8.154 96 HB2 PHE 12 HB1 PHE 12 10.529 -10.505 7.101 97 HB3 PHE 12 HB2 PHE 12 11.413 -11.273 8.474 98 HD1 PHE 12 HD1 PHE 12 12.169 -13.797 8.021 99 HD2 PHE 12 HD2 PHE 12 11.622 -10.754 5.043 100 HE1 PHE 12 HE1 PHE 12 13.889 -14.871 6.614 101 HE2 PHE 12 HE2 PHE 12 13.323 -11.833 3.619 102 HZ PHE 12 HZ PHE 12 14.499 -13.870 4.414 103 H GLY 13 HN GLY 13 6.999 -12.031 8.448 104 HA2 GLY 13 HA1 GLY 13 5.926 -12.256 10.447 105 HA3 GLY 13 HA2 GLY 13 7.450 -11.986 11.311 106 HA PRO 14 HA PRO 14 5.763 -7.734 10.667 107 HB2 PRO 14 HB1 PRO 14 3.207 -7.220 9.770 108 HB3 PRO 14 HB2 PRO 14 4.484 -7.861 8.671 109 HG2 PRO 14 HG1 PRO 14 2.351 -9.511 10.150 110 HG3 PRO 14 HG2 PRO 14 2.736 -9.513 8.382 111 HD2 PRO 14 HD1 PRO 14 3.883 -11.378 10.064 112 HD3 PRO 14 HD2 PRO 14 4.846 -10.589 8.735 113 H LYS 15 HN LYS 15 3.319 -9.853 12.270 114 HA LYS 15 HA LYS 15 2.330 -7.773 13.875 115 HB2 LYS 15 HB1 LYS 15 1.031 -9.840 13.570 116 HB3 LYS 15 HB2 LYS 15 2.252 -10.757 14.503 117 HG2 LYS 15 HG1 LYS 15 0.302 -10.274 15.925 118 HG3 LYS 15 HG2 LYS 15 1.739 -9.431 16.541 119 HD2 LYS 15 HD1 LYS 15 0.583 -7.460 14.887 120 HD3 LYS 15 HD2 LYS 15 -0.853 -8.330 15.490 121 HE2 LYS 15 HE1 LYS 15 -0.178 -7.882 17.854 122 HE3 LYS 15 HE2 LYS 15 1.410 -7.221 17.302 123 HZ1 LYS 15 HZ1 LYS 15 -1.250 -6.030 16.668 124 HZ2 LYS 15 HZ2 LYS 15 0.258 -5.419 16.213 125 HZ3 LYS 15 HZ3 LYS 15 -0.159 -5.477 17.841 126 H LEU 16 HN LEU 16 5.103 -9.907 14.361 127 HA LEU 16 HA LEU 16 5.835 -9.155 16.941 128 HB2 LEU 16 HB1 LEU 16 7.519 -9.970 14.497 129 HB3 LEU 16 HB2 LEU 16 8.164 -9.763 16.159 130 HG LEU 16 HG LEU 16 6.549 -11.561 16.945 131 HD11 LEU 16 HD11 LEU 16 6.293 -12.106 13.909 132 HD12 LEU 16 HD12 LEU 16 4.939 -11.783 15.077 133 HD13 LEU 16 HD13 LEU 16 5.900 -13.285 15.208 134 HD21 LEU 16 HD21 LEU 16 8.081 -13.373 16.209 135 HD22 LEU 16 HD22 LEU 16 8.996 -11.887 16.637 136 HD23 LEU 16 HD23 LEU 16 8.734 -12.319 14.902 137 H PHE 17 HN PHE 17 6.489 -7.510 13.789 138 HA PHE 17 HA PHE 17 8.021 -5.398 14.981 139 HB2 PHE 17 HB1 PHE 17 8.076 -6.008 12.490 140 HB3 PHE 17 HB2 PHE 17 6.401 -5.376 12.341 141 HD1 PHE 17 HD1 PHE 17 9.965 -4.509 12.516 142 HD2 PHE 17 HD2 PHE 17 5.973 -2.917 12.759 143 HE1 PHE 17 HE1 PHE 17 10.846 -2.233 12.171 144 HE2 PHE 17 HE2 PHE 17 6.869 -0.638 12.447 145 HZ PHE 17 HZ PHE 17 9.303 -0.290 12.152 146 H SER 18 HN SER 18 4.586 -5.810 14.129 147 HA SER 18 HA SER 18 3.700 -3.252 14.666 148 HB2 SER 18 HB1 SER 18 2.313 -4.857 13.446 149 HB3 SER 18 HB2 SER 18 2.300 -5.956 14.860 150 HG SER 18 HG1 SER 18 1.030 -3.416 14.705 151 H LEU 19 HN LEU 19 4.014 -5.888 17.149 152 HA LEU 19 HA LEU 19 2.500 -4.430 19.023 153 HB2 LEU 19 HB1 LEU 19 3.050 -6.059 20.668 154 HB3 LEU 19 HB2 LEU 19 2.674 -6.840 19.112 155 HG LEU 19 HG LEU 19 5.462 -6.623 18.976 156 HD11 LEU 19 HD11 LEU 19 5.470 -5.855 21.419 157 HD12 LEU 19 HD12 LEU 19 6.342 -7.413 21.153 158 HD13 LEU 19 HD13 LEU 19 4.690 -7.408 21.868 159 HD21 LEU 19 HD21 LEU 19 4.057 -8.615 18.369 160 HD22 LEU 19 HD22 LEU 19 3.790 -8.949 20.125 161 HD23 LEU 19 HD23 LEU 19 5.446 -9.068 19.432 162 H VAL 20 HN VAL 20 6.086 -4.315 18.564 163 HA VAL 20 HA VAL 20 6.161 -2.317 20.734 164 HB VAL 20 HB VAL 20 8.539 -3.253 19.074 165 HG11 VAL 20 HG11 VAL 20 8.904 -1.309 20.683 166 HG12 VAL 20 HG12 VAL 20 8.181 -2.297 22.008 167 HG13 VAL 20 HG13 VAL 20 9.735 -2.795 21.261 168 HG21 VAL 20 HG21 VAL 20 8.945 -4.999 20.837 169 HG22 VAL 20 HG22 VAL 20 7.308 -4.687 21.507 170 HG23 VAL 20 HG23 VAL 20 7.507 -5.366 19.836 171 H THR 21 HN THR 21 5.324 -2.308 17.592 172 HA THR 21 HA THR 21 5.768 -1.374 15.683 173 HB THR 21 HB THR 21 4.248 0.193 16.595 174 HG1 THR 21 HG1 THR 21 4.687 1.753 15.010 175 HG21 THR 21 HG21 THR 21 6.662 2.082 16.990 176 HG22 THR 21 HG22 THR 21 5.718 1.303 18.333 177 HG23 THR 21 HG23 THR 21 4.922 2.468 17.224 178 H LYS 22 HN LYS 22 7.755 -2.624 16.015 179 HA LYS 22 HA LYS 22 10.217 -1.556 15.225 180 HB2 LYS 22 HB1 LYS 22 9.512 -0.983 18.025 181 HB3 LYS 22 HB2 LYS 22 10.656 -2.301 18.093 182 HG2 LYS 22 HG1 LYS 22 12.087 -0.534 18.306 183 HG3 LYS 22 HG2 LYS 22 12.232 -0.919 16.573 184 HD2 LYS 22 HD1 LYS 22 12.205 1.441 16.782 185 HD3 LYS 22 HD2 LYS 22 10.628 1.026 16.073 186 HE2 LYS 22 HE1 LYS 22 11.090 1.610 19.108 187 HE3 LYS 22 HE2 LYS 22 10.698 2.875 17.882 188 HZ1 LYS 22 HZ1 LYS 22 8.742 1.349 17.339 189 HZ2 LYS 22 HZ2 LYS 22 8.639 2.324 18.728 190 HZ3 LYS 22 HZ3 LYS 22 8.945 0.669 18.831 191 H LYS 23 HN LYS 23 11.476 -3.479 14.689 192 HA LYS 23 HA LYS 23 11.803 -5.242 16.786 193 HB2 LYS 23 HB1 LYS 23 11.263 -7.385 16.060 194 HB3 LYS 23 HB2 LYS 23 9.771 -6.459 15.809 195 HG2 LYS 23 HG1 LYS 23 10.157 -6.446 13.347 196 HG3 LYS 23 HG2 LYS 23 11.804 -7.124 13.568 197 HD2 LYS 23 HD1 LYS 23 10.657 -9.085 14.827 198 HD3 LYS 23 HD2 LYS 23 9.134 -8.548 14.069 199 HE2 LYS 23 HE1 LYS 23 11.734 -9.322 12.529 200 HE3 LYS 23 HE2 LYS 23 10.409 -10.477 12.932 201 HZ1 LYS 23 HZ1 LYS 23 10.235 -8.112 11.133 202 HZ2 LYS 23 HZ2 LYS 23 8.882 -8.997 11.691 203 HZ3 LYS 23 HZ3 LYS 23 10.030 -9.772 10.798 204 H SER 24 HN SER 24 13.597 -6.878 16.221 205 HA SER 24 HA SER 24 15.418 -5.609 14.276 206 HB2 SER 24 HB1 SER 24 16.299 -5.929 16.584 207 HB3 SER 24 HB2 SER 24 16.033 -7.701 16.433 208 HG SER 24 HG1 SER 24 18.200 -6.982 15.901 Start of MODEL 11 1 H1 PHE 1 HN PHE 1 6.348 -0.038 -6.499 2 HA PHE 1 HA PHE 1 7.743 -1.706 -5.325 3 HB2 PHE 1 HB1 PHE 1 8.441 0.772 -5.585 4 HB3 PHE 1 HB2 PHE 1 7.777 1.064 -3.939 5 HD1 PHE 1 HD1 PHE 1 10.023 -1.466 -5.688 6 HD2 PHE 1 HD2 PHE 1 9.434 1.109 -2.299 7 HE1 PHE 1 HE1 PHE 1 12.204 -2.176 -4.773 8 HE2 PHE 1 HE2 PHE 1 11.630 0.409 -1.390 9 HZ PHE 1 HZ PHE 1 13.014 -1.242 -2.622 10 H LEU 2 HN LEU 2 4.990 -0.467 -3.786 11 HA LEU 2 HA LEU 2 5.333 -1.336 -1.154 12 HB2 LEU 2 HB1 LEU 2 3.600 0.223 -1.992 13 HB3 LEU 2 HB2 LEU 2 2.745 -1.116 -2.798 14 HG LEU 2 HG LEU 2 1.785 -0.222 -0.639 15 HD11 LEU 2 HD11 LEU 2 1.118 -2.452 -1.552 16 HD12 LEU 2 HD12 LEU 2 0.987 -2.331 0.239 17 HD13 LEU 2 HD13 LEU 2 2.348 -3.243 -0.492 18 HD21 LEU 2 HD21 LEU 2 4.069 -1.734 0.773 19 HD22 LEU 2 HD22 LEU 2 2.674 -0.900 1.544 20 HD23 LEU 2 HD23 LEU 2 3.911 0.062 0.653 21 HA PRO 3 HA PRO 3 3.443 -5.545 -1.973 22 HB2 PRO 3 HB1 PRO 3 3.764 -6.846 -4.467 23 HB3 PRO 3 HB2 PRO 3 2.316 -5.892 -3.974 24 HG2 PRO 3 HG1 PRO 3 4.736 -4.902 -5.578 25 HG3 PRO 3 HG2 PRO 3 2.980 -4.707 -5.973 26 HD2 PRO 3 HD1 PRO 3 4.350 -2.697 -4.761 27 HD3 PRO 3 HD2 PRO 3 2.681 -3.109 -4.156 28 H ILE 4 HN ILE 4 6.566 -4.873 -3.667 29 HA ILE 4 HA ILE 4 7.665 -7.351 -2.761 30 HB ILE 4 HB ILE 4 8.610 -6.376 -4.702 31 HG12 ILE 4 HG11 ILE 4 11.023 -6.438 -4.142 32 HG13 ILE 4 HG12 ILE 4 10.655 -6.394 -2.398 33 HG21 ILE 4 HG21 ILE 4 8.299 -3.967 -4.267 34 HG22 ILE 4 HG22 ILE 4 9.516 -4.011 -2.930 35 HG23 ILE 4 HG23 ILE 4 10.018 -4.320 -4.623 36 HD11 ILE 4 HD1 ILE 4 11.156 -8.724 -3.260 37 HD12 ILE 4 HD2 ILE 4 9.497 -8.623 -2.572 38 HD13 ILE 4 HD3 ILE 4 9.740 -8.615 -4.364 39 H LEU 5 HN LEU 5 7.737 -4.017 -1.380 40 HA LEU 5 HA LEU 5 9.200 -4.702 0.919 41 HB2 LEU 5 HB1 LEU 5 6.981 -2.619 0.487 42 HB3 LEU 5 HB2 LEU 5 8.010 -2.688 1.953 43 HG LEU 5 HG LEU 5 9.030 -2.178 -0.900 44 HD11 LEU 5 HD11 LEU 5 8.573 -0.280 1.490 45 HD12 LEU 5 HD12 LEU 5 7.634 -0.316 -0.054 46 HD13 LEU 5 HD13 LEU 5 9.372 0.161 -0.063 47 HD21 LEU 5 HD21 LEU 5 10.487 -2.073 1.822 48 HD22 LEU 5 HD22 LEU 5 11.156 -1.507 0.247 49 HD23 LEU 5 HD23 LEU 5 10.799 -3.250 0.484 50 H ALA 6 HN ALA 6 5.641 -4.795 0.363 51 HA ALA 6 HA ALA 6 4.930 -5.714 2.897 52 HB1 ALA 6 HB1 ALA 6 2.787 -6.378 1.788 53 HB2 ALA 6 HB2 ALA 6 3.340 -4.766 1.204 54 HB3 ALA 6 HB3 ALA 6 3.583 -6.219 0.175 55 H SER 7 HN SER 7 5.821 -7.591 -0.032 56 HA SER 7 HA SER 7 5.426 -10.152 0.992 57 HB2 SER 7 HB1 SER 7 5.873 -9.696 -1.406 58 HB3 SER 7 HB2 SER 7 7.541 -9.178 -1.021 59 HG SER 7 HG1 SER 7 7.135 -11.407 -1.797 60 H LEU 8 HN LEU 8 8.417 -8.104 1.231 61 HA LEU 8 HA LEU 8 9.807 -10.029 2.827 62 HB2 LEU 8 HB1 LEU 8 10.158 -7.081 2.180 63 HB3 LEU 8 HB2 LEU 8 11.077 -7.797 3.537 64 HG LEU 8 HG LEU 8 12.042 -9.523 2.039 65 HD11 LEU 8 HD11 LEU 8 10.839 -7.865 -0.265 66 HD12 LEU 8 HD12 LEU 8 10.376 -9.559 0.149 67 HD13 LEU 8 HD13 LEU 8 12.040 -9.187 -0.432 68 HD21 LEU 8 HD21 LEU 8 12.529 -6.599 1.189 69 HD22 LEU 8 HD22 LEU 8 13.671 -7.971 0.965 70 HD23 LEU 8 HD23 LEU 8 13.251 -7.413 2.627 71 H ALA 9 HN ALA 9 7.856 -7.112 3.752 72 HA ALA 9 HA ALA 9 8.373 -7.306 6.464 73 HB1 ALA 9 HB1 ALA 9 7.479 -5.285 5.293 74 HB2 ALA 9 HB2 ALA 9 5.924 -6.137 5.014 75 HB3 ALA 9 HB3 ALA 9 6.440 -5.726 6.697 76 H ALA 10 HN ALA 10 5.560 -8.706 4.684 77 HA ALA 10 HA ALA 10 4.288 -9.768 6.951 78 HB1 ALA 10 HB1 ALA 10 4.226 -10.661 4.003 79 HB2 ALA 10 HB2 ALA 10 3.023 -11.136 5.264 80 HB3 ALA 10 HB3 ALA 10 3.169 -9.418 4.747 81 H LYS 11 HN LYS 11 6.662 -11.170 4.715 82 HA LYS 11 HA LYS 11 6.710 -13.774 5.797 83 HB2 LYS 11 HB1 LYS 11 7.326 -13.187 3.537 84 HB3 LYS 11 HB2 LYS 11 8.657 -12.121 4.113 85 HG2 LYS 11 HG1 LYS 11 10.037 -13.962 4.711 86 HG3 LYS 11 HG2 LYS 11 8.675 -15.114 4.745 87 HD2 LYS 11 HD1 LYS 11 10.240 -15.395 2.809 88 HD3 LYS 11 HD2 LYS 11 8.527 -15.262 2.358 89 HE2 LYS 11 HE1 LYS 11 10.414 -12.805 2.212 90 HE3 LYS 11 HE2 LYS 11 10.362 -14.052 0.907 91 HZ1 LYS 11 HZ1 LYS 11 7.902 -13.654 0.822 92 HZ2 LYS 11 HZ2 LYS 11 8.837 -12.358 0.296 93 HZ3 LYS 11 HZ3 LYS 11 8.133 -12.303 1.801 94 H PHE 12 HN PHE 12 8.685 -10.878 6.595 95 HA PHE 12 HA PHE 12 10.228 -12.462 8.490 96 HB2 PHE 12 HB1 PHE 12 10.402 -9.507 7.685 97 HB3 PHE 12 HB2 PHE 12 11.594 -10.369 8.742 98 HD1 PHE 12 HD1 PHE 12 11.964 -8.863 6.062 99 HD2 PHE 12 HD2 PHE 12 11.671 -13.048 7.043 100 HE1 PHE 12 HE1 PHE 12 13.369 -9.432 4.110 101 HE2 PHE 12 HE2 PHE 12 13.040 -13.599 5.087 102 HZ PHE 12 HZ PHE 12 13.898 -11.801 3.608 103 H GLY 13 HN GLY 13 7.255 -11.529 8.916 104 HA2 GLY 13 HA1 GLY 13 6.272 -11.971 10.939 105 HA3 GLY 13 HA2 GLY 13 7.776 -11.533 11.779 106 HA PRO 14 HA PRO 14 5.683 -7.462 11.160 107 HB2 PRO 14 HB1 PRO 14 3.104 -7.170 10.172 108 HB3 PRO 14 HB2 PRO 14 4.490 -7.605 9.102 109 HG2 PRO 14 HG1 PRO 14 2.524 -9.570 10.423 110 HG3 PRO 14 HG2 PRO 14 2.932 -9.423 8.666 111 HD2 PRO 14 HD1 PRO 14 4.267 -11.241 10.231 112 HD3 PRO 14 HD2 PRO 14 5.184 -10.223 9.032 113 H LYS 15 HN LYS 15 3.667 -9.961 12.664 114 HA LYS 15 HA LYS 15 2.198 -8.158 14.260 115 HB2 LYS 15 HB1 LYS 15 1.504 -10.540 13.875 116 HB3 LYS 15 HB2 LYS 15 2.804 -11.057 14.988 117 HG2 LYS 15 HG1 LYS 15 0.701 -10.999 16.206 118 HG3 LYS 15 HG2 LYS 15 1.717 -9.690 16.840 119 HD2 LYS 15 HD1 LYS 15 0.116 -8.548 14.664 120 HD3 LYS 15 HD2 LYS 15 -0.944 -9.641 15.572 121 HE2 LYS 15 HE1 LYS 15 -1.223 -7.431 16.520 122 HE3 LYS 15 HE2 LYS 15 -0.325 -8.423 17.734 123 HZ1 LYS 15 HZ1 LYS 15 0.654 -6.243 17.496 124 HZ2 LYS 15 HZ2 LYS 15 0.883 -6.434 15.838 125 HZ3 LYS 15 HZ3 LYS 15 1.740 -7.389 16.884 126 H LEU 16 HN LEU 16 5.308 -9.822 14.923 127 HA LEU 16 HA LEU 16 5.736 -8.778 17.497 128 HB2 LEU 16 HB1 LEU 16 7.726 -9.592 15.280 129 HB3 LEU 16 HB2 LEU 16 8.164 -9.200 16.972 130 HG LEU 16 HG LEU 16 6.662 -11.119 17.732 131 HD11 LEU 16 HD11 LEU 16 6.853 -11.894 14.741 132 HD12 LEU 16 HD12 LEU 16 5.334 -11.668 15.713 133 HD13 LEU 16 HD13 LEU 16 6.442 -13.025 16.076 134 HD21 LEU 16 HD21 LEU 16 9.149 -11.162 17.740 135 HD22 LEU 16 HD22 LEU 16 9.158 -11.740 16.028 136 HD23 LEU 16 HD23 LEU 16 8.470 -12.774 17.333 137 H PHE 17 HN PHE 17 6.604 -7.575 14.240 138 HA PHE 17 HA PHE 17 8.027 -5.315 15.048 139 HB2 PHE 17 HB1 PHE 17 7.622 -6.630 12.724 140 HB3 PHE 17 HB2 PHE 17 6.350 -5.397 12.463 141 HD1 PHE 17 HD1 PHE 17 8.758 -6.017 10.799 142 HD2 PHE 17 HD2 PHE 17 8.172 -3.042 13.864 143 HE1 PHE 17 HE1 PHE 17 10.433 -4.554 9.719 144 HE2 PHE 17 HE2 PHE 17 9.829 -1.603 12.772 145 HZ PHE 17 HZ PHE 17 10.980 -2.349 10.715 146 H SER 18 HN SER 18 4.533 -5.610 14.217 147 HA SER 18 HA SER 18 3.952 -2.918 14.874 148 HB2 SER 18 HB1 SER 18 1.522 -3.629 14.958 149 HB3 SER 18 HB2 SER 18 2.393 -3.933 13.430 150 HG SER 18 HG1 SER 18 2.527 -6.024 13.856 151 H LEU 19 HN LEU 19 3.862 -5.827 17.070 152 HA LEU 19 HA LEU 19 2.560 -4.231 19.068 153 HB2 LEU 19 HB1 LEU 19 2.608 -6.001 20.578 154 HB3 LEU 19 HB2 LEU 19 2.232 -6.677 18.976 155 HG LEU 19 HG LEU 19 4.948 -7.099 19.014 156 HD11 LEU 19 HD11 LEU 19 4.012 -7.387 21.954 157 HD12 LEU 19 HD12 LEU 19 5.176 -6.150 21.374 158 HD13 LEU 19 HD13 LEU 19 5.603 -7.898 21.292 159 HD21 LEU 19 HD21 LEU 19 2.814 -8.895 20.341 160 HD22 LEU 19 HD22 LEU 19 4.420 -9.434 19.746 161 HD23 LEU 19 HD23 LEU 19 3.188 -8.837 18.573 162 H VAL 20 HN VAL 20 6.026 -4.901 18.462 163 HA VAL 20 HA VAL 20 6.714 -3.433 20.885 164 HB VAL 20 HB VAL 20 8.428 -4.622 18.647 165 HG11 VAL 20 HG11 VAL 20 10.228 -4.618 20.460 166 HG12 VAL 20 HG12 VAL 20 9.784 -2.980 19.890 167 HG13 VAL 20 HG13 VAL 20 9.150 -3.602 21.485 168 HG21 VAL 20 HG21 VAL 20 8.827 -6.471 20.330 169 HG22 VAL 20 HG22 VAL 20 7.559 -5.755 21.386 170 HG23 VAL 20 HG23 VAL 20 7.130 -6.411 19.757 171 H THR 21 HN THR 21 5.776 -2.610 17.804 172 HA THR 21 HA THR 21 5.979 -1.134 16.300 173 HB THR 21 HB THR 21 4.860 0.205 17.990 174 HG1 THR 21 HG1 THR 21 6.465 1.503 16.070 175 HG21 THR 21 HG21 THR 21 6.750 0.742 19.545 176 HG22 THR 21 HG22 THR 21 6.015 2.227 18.857 177 HG23 THR 21 HG23 THR 21 7.593 1.652 18.217 178 H LYS 22 HN LYS 22 8.662 -2.276 17.322 179 HA LYS 22 HA LYS 22 10.035 -1.365 15.044 180 HB2 LYS 22 HB1 LYS 22 12.226 -0.829 16.245 181 HB3 LYS 22 HB2 LYS 22 10.986 0.446 16.336 182 HG2 LYS 22 HG1 LYS 22 11.070 -1.524 18.645 183 HG3 LYS 22 HG2 LYS 22 12.441 -0.380 18.470 184 HD2 LYS 22 HD1 LYS 22 10.920 1.563 18.395 185 HD3 LYS 22 HD2 LYS 22 9.494 0.510 18.558 186 HE2 LYS 22 HE1 LYS 22 11.707 0.863 20.706 187 HE3 LYS 22 HE2 LYS 22 10.089 1.671 20.692 188 HZ1 LYS 22 HZ1 LYS 22 9.836 -0.190 22.047 189 HZ2 LYS 22 HZ2 LYS 22 10.687 -1.219 20.992 190 HZ3 LYS 22 HZ3 LYS 22 9.164 -0.657 20.565 191 H LYS 23 HN LYS 23 11.783 -2.969 14.582 192 HA LYS 23 HA LYS 23 12.415 -5.067 16.315 193 HB2 LYS 23 HB1 LYS 23 9.956 -5.663 16.008 194 HB3 LYS 23 HB2 LYS 23 10.226 -5.856 14.260 195 HG2 LYS 23 HG1 LYS 23 11.747 -7.440 16.439 196 HG3 LYS 23 HG2 LYS 23 10.114 -7.923 15.919 197 HD2 LYS 23 HD1 LYS 23 12.564 -7.784 14.059 198 HD3 LYS 23 HD2 LYS 23 11.956 -9.249 14.873 199 HE2 LYS 23 HE1 LYS 23 9.839 -9.203 13.604 200 HE3 LYS 23 HE2 LYS 23 10.268 -7.613 12.854 201 HZ1 LYS 23 HZ1 LYS 23 10.737 -9.642 11.487 202 HZ2 LYS 23 HZ2 LYS 23 11.966 -10.038 12.569 203 HZ3 LYS 23 HZ3 LYS 23 12.042 -8.576 11.721 204 H SER 24 HN SER 24 11.612 -4.342 12.869 205 HA SER 24 HA SER 24 12.732 -4.611 10.998 206 HB2 SER 24 HB1 SER 24 15.184 -4.049 12.723 207 HB3 SER 24 HB2 SER 24 15.121 -3.937 10.920 208 HG SER 24 HG1 SER 24 14.727 -1.918 11.932 Start of MODEL 12 1 H1 PHE 1 HN PHE 1 3.365 1.600 -2.639 2 HA PHE 1 HA PHE 1 4.463 2.055 -0.106 3 HB2 PHE 1 HB1 PHE 1 2.945 0.218 0.695 4 HB3 PHE 1 HB2 PHE 1 2.096 1.432 -0.319 5 HD1 PHE 1 HD1 PHE 1 3.281 -2.052 -0.114 6 HD2 PHE 1 HD2 PHE 1 1.283 0.857 -2.562 7 HE1 PHE 1 HE1 PHE 1 2.392 -3.869 -1.548 8 HE2 PHE 1 HE2 PHE 1 0.420 -0.954 -4.010 9 HZ PHE 1 HZ PHE 1 0.963 -3.317 -3.501 10 H LEU 2 HN LEU 2 6.227 1.098 -2.265 11 HA LEU 2 HA LEU 2 8.019 -0.186 -2.633 12 HB2 LEU 2 HB1 LEU 2 8.055 -0.590 0.381 13 HB3 LEU 2 HB2 LEU 2 9.418 -0.943 -0.727 14 HG LEU 2 HG LEU 2 8.174 1.837 -0.297 15 HD11 LEU 2 HD11 LEU 2 10.220 2.341 1.018 16 HD12 LEU 2 HD12 LEU 2 10.793 0.645 0.812 17 HD13 LEU 2 HD13 LEU 2 9.294 0.982 1.760 18 HD21 LEU 2 HD21 LEU 2 10.255 2.666 -1.441 19 HD22 LEU 2 HD22 LEU 2 9.259 1.654 -2.542 20 HD23 LEU 2 HD23 LEU 2 10.745 0.968 -1.778 21 HA PRO 3 HA PRO 3 4.991 -3.581 -2.050 22 HB2 PRO 3 HB1 PRO 3 4.732 -4.587 -4.700 23 HB3 PRO 3 HB2 PRO 3 3.854 -3.158 -4.041 24 HG2 PRO 3 HG1 PRO 3 6.487 -3.147 -5.612 25 HG3 PRO 3 HG2 PRO 3 5.000 -2.159 -5.912 26 HD2 PRO 3 HD1 PRO 3 7.080 -1.090 -4.505 27 HD3 PRO 3 HD2 PRO 3 5.377 -0.846 -3.898 28 H ILE 4 HN ILE 4 7.974 -4.278 -3.953 29 HA ILE 4 HA ILE 4 7.902 -7.041 -3.393 30 HB ILE 4 HB ILE 4 9.169 -6.141 -5.217 31 HG12 ILE 4 HG11 ILE 4 11.023 -7.549 -3.205 32 HG13 ILE 4 HG12 ILE 4 9.726 -8.355 -4.141 33 HG21 ILE 4 HG21 ILE 4 11.162 -4.983 -3.159 34 HG22 ILE 4 HG22 ILE 4 11.263 -4.898 -4.944 35 HG23 ILE 4 HG23 ILE 4 9.972 -3.991 -4.097 36 HD11 ILE 4 HD1 ILE 4 10.847 -7.644 -6.298 37 HD12 ILE 4 HD2 ILE 4 12.190 -6.918 -5.341 38 HD13 ILE 4 HD3 ILE 4 11.897 -8.689 -5.277 39 H LEU 5 HN LEU 5 9.436 -4.370 -1.565 40 HA LEU 5 HA LEU 5 10.575 -6.050 0.430 41 HB2 LEU 5 HB1 LEU 5 9.823 -3.069 0.524 42 HB3 LEU 5 HB2 LEU 5 10.900 -3.912 1.685 43 HG LEU 5 HG LEU 5 11.455 -3.491 -1.315 44 HD11 LEU 5 HD11 LEU 5 11.564 -1.384 0.012 45 HD12 LEU 5 HD12 LEU 5 13.201 -1.903 -0.534 46 HD13 LEU 5 HD13 LEU 5 12.698 -2.168 1.176 47 HD21 LEU 5 HD21 LEU 5 13.772 -4.294 -0.773 48 HD22 LEU 5 HD22 LEU 5 12.549 -5.589 -0.539 49 HD23 LEU 5 HD23 LEU 5 13.232 -4.722 0.891 50 H ALA 6 HN ALA 6 7.524 -4.188 0.214 51 HA ALA 6 HA ALA 6 6.549 -4.812 2.756 52 HB1 ALA 6 HB1 ALA 6 4.342 -4.111 1.791 53 HB2 ALA 6 HB2 ALA 6 5.656 -3.002 1.259 54 HB3 ALA 6 HB3 ALA 6 5.035 -4.252 0.129 55 H SER 7 HN SER 7 6.054 -6.558 -0.366 56 HA SER 7 HA SER 7 4.471 -8.633 0.666 57 HB2 SER 7 HB1 SER 7 4.761 -8.106 -1.776 58 HB3 SER 7 HB2 SER 7 6.433 -8.753 -1.698 59 HG SER 7 HG1 SER 7 4.820 -10.285 -2.423 60 H LEU 8 HN LEU 8 8.069 -8.461 0.277 61 HA LEU 8 HA LEU 8 8.596 -11.001 1.290 62 HB2 LEU 8 HB1 LEU 8 10.146 -9.561 0.011 63 HB3 LEU 8 HB2 LEU 8 10.291 -8.432 1.377 64 HG LEU 8 HG LEU 8 10.985 -11.372 1.822 65 HD11 LEU 8 HD11 LEU 8 12.056 -10.837 -0.366 66 HD12 LEU 8 HD12 LEU 8 13.296 -11.004 0.934 67 HD13 LEU 8 HD13 LEU 8 12.812 -9.369 0.353 68 HD21 LEU 8 HD21 LEU 8 12.276 -8.729 2.786 69 HD22 LEU 8 HD22 LEU 8 12.786 -10.384 3.276 70 HD23 LEU 8 HD23 LEU 8 11.168 -9.759 3.763 71 H ALA 9 HN ALA 9 8.399 -7.870 3.069 72 HA ALA 9 HA ALA 9 8.876 -8.913 5.619 73 HB1 ALA 9 HB1 ALA 9 7.215 -6.474 4.731 74 HB2 ALA 9 HB2 ALA 9 7.863 -6.747 6.398 75 HB3 ALA 9 HB3 ALA 9 8.987 -6.485 5.014 76 H ALA 10 HN ALA 10 5.732 -8.435 3.895 77 HA ALA 10 HA ALA 10 4.048 -9.295 5.929 78 HB1 ALA 10 HB1 ALA 10 3.300 -8.109 3.863 79 HB2 ALA 10 HB2 ALA 10 3.742 -9.541 2.878 80 HB3 ALA 10 HB3 ALA 10 2.395 -9.654 4.074 81 H LYS 11 HN LYS 11 5.627 -11.153 3.348 82 HA LYS 11 HA LYS 11 4.573 -13.674 3.996 83 HB2 LYS 11 HB1 LYS 11 5.380 -12.877 1.772 84 HB3 LYS 11 HB2 LYS 11 7.021 -12.737 2.400 85 HG2 LYS 11 HG1 LYS 11 6.147 -15.517 2.827 86 HG3 LYS 11 HG2 LYS 11 5.568 -15.016 1.233 87 HD2 LYS 11 HD1 LYS 11 7.789 -16.063 1.030 88 HD3 LYS 11 HD2 LYS 11 7.803 -14.365 0.487 89 HE2 LYS 11 HE1 LYS 11 9.874 -14.957 1.776 90 HE3 LYS 11 HE2 LYS 11 8.953 -13.625 2.565 91 HZ1 LYS 11 HZ1 LYS 11 9.647 -15.214 4.172 92 HZ2 LYS 11 HZ2 LYS 11 8.897 -16.504 3.346 93 HZ3 LYS 11 HZ3 LYS 11 7.970 -15.278 4.045 94 H PHE 12 HN PHE 12 7.116 -11.898 5.616 95 HA PHE 12 HA PHE 12 7.991 -14.428 6.911 96 HB2 PHE 12 HB1 PHE 12 9.296 -11.670 6.628 97 HB3 PHE 12 HB2 PHE 12 9.777 -12.783 7.963 98 HD1 PHE 12 HD1 PHE 12 10.657 -11.865 4.715 99 HD2 PHE 12 HD2 PHE 12 10.170 -15.306 7.228 100 HE1 PHE 12 HE1 PHE 12 12.244 -13.122 3.293 101 HE2 PHE 12 HE2 PHE 12 11.759 -16.571 5.811 102 HZ PHE 12 HZ PHE 12 12.797 -15.480 3.836 103 H GLY 13 HN GLY 13 5.630 -12.138 7.363 104 HA2 GLY 13 HA1 GLY 13 4.139 -12.311 9.093 105 HA3 GLY 13 HA2 GLY 13 5.361 -13.175 10.066 106 HA PRO 14 HA PRO 14 6.611 -8.816 10.636 107 HB2 PRO 14 HB1 PRO 14 5.241 -6.611 9.669 108 HB3 PRO 14 HB2 PRO 14 6.083 -7.753 8.552 109 HG2 PRO 14 HG1 PRO 14 3.112 -7.825 9.342 110 HG3 PRO 14 HG2 PRO 14 3.816 -7.755 7.670 111 HD2 PRO 14 HD1 PRO 14 3.152 -10.186 8.808 112 HD3 PRO 14 HD2 PRO 14 4.688 -10.002 7.850 113 H LYS 15 HN LYS 15 3.874 -9.988 11.840 114 HA LYS 15 HA LYS 15 2.767 -7.909 13.416 115 HB2 LYS 15 HB1 LYS 15 2.582 -10.944 13.458 116 HB3 LYS 15 HB2 LYS 15 2.021 -10.021 14.880 117 HG2 LYS 15 HG1 LYS 15 0.099 -10.389 13.586 118 HG3 LYS 15 HG2 LYS 15 0.509 -8.646 13.495 119 HD2 LYS 15 HD1 LYS 15 1.569 -9.065 11.214 120 HD3 LYS 15 HD2 LYS 15 0.995 -10.756 11.283 121 HE2 LYS 15 HE1 LYS 15 -0.740 -8.176 11.287 122 HE3 LYS 15 HE2 LYS 15 -0.507 -9.301 9.891 123 HZ1 LYS 15 HZ1 LYS 15 -1.550 -11.045 11.203 124 HZ2 LYS 15 HZ2 LYS 15 -2.579 -9.706 11.046 125 HZ3 LYS 15 HZ3 LYS 15 -1.762 -9.981 12.505 126 H LEU 16 HN LEU 16 5.421 -10.222 14.107 127 HA LEU 16 HA LEU 16 5.808 -9.491 16.790 128 HB2 LEU 16 HB1 LEU 16 7.783 -10.533 14.664 129 HB3 LEU 16 HB2 LEU 16 8.161 -10.335 16.402 130 HG LEU 16 HG LEU 16 6.265 -11.950 16.939 131 HD11 LEU 16 HD11 LEU 16 5.766 -13.665 15.129 132 HD12 LEU 16 HD12 LEU 16 6.473 -12.548 13.910 133 HD13 LEU 16 HD13 LEU 16 4.979 -12.082 14.827 134 HD21 LEU 16 HD21 LEU 16 7.720 -13.921 16.499 135 HD22 LEU 16 HD22 LEU 16 8.689 -12.510 17.055 136 HD23 LEU 16 HD23 LEU 16 8.677 -12.965 15.309 137 H PHE 17 HN PHE 17 7.148 -8.151 13.756 138 HA PHE 17 HA PHE 17 8.835 -6.260 14.991 139 HB2 PHE 17 HB1 PHE 17 8.961 -7.231 12.599 140 HB3 PHE 17 HB2 PHE 17 7.594 -6.149 12.162 141 HD1 PHE 17 HD1 PHE 17 8.297 -4.215 11.069 142 HD2 PHE 17 HD2 PHE 17 10.918 -5.945 14.004 143 HE1 PHE 17 HE1 PHE 17 10.014 -2.507 10.548 144 HE2 PHE 17 HE2 PHE 17 12.618 -4.219 13.503 145 HZ PHE 17 HZ PHE 17 12.176 -2.509 11.768 146 H SER 18 HN SER 18 5.440 -5.992 13.778 147 HA SER 18 HA SER 18 5.212 -3.255 14.437 148 HB2 SER 18 HB1 SER 18 2.777 -3.464 14.205 149 HB3 SER 18 HB2 SER 18 3.659 -4.210 12.835 150 HG SER 18 HG1 SER 18 2.572 -5.630 15.056 151 H LEU 19 HN LEU 19 4.425 -6.177 16.468 152 HA LEU 19 HA LEU 19 3.240 -4.574 18.458 153 HB2 LEU 19 HB1 LEU 19 2.970 -6.464 19.814 154 HB3 LEU 19 HB2 LEU 19 2.696 -6.941 18.118 155 HG LEU 19 HG LEU 19 5.261 -7.720 18.253 156 HD11 LEU 19 HD11 LEU 19 5.661 -6.918 20.634 157 HD12 LEU 19 HD12 LEU 19 5.804 -8.707 20.491 158 HD13 LEU 19 HD13 LEU 19 4.317 -7.974 21.191 159 HD21 LEU 19 HD21 LEU 19 2.915 -9.275 19.519 160 HD22 LEU 19 HD22 LEU 19 4.438 -9.996 18.884 161 HD23 LEU 19 HD23 LEU 19 3.293 -9.174 17.756 162 H VAL 20 HN VAL 20 6.659 -5.526 18.047 163 HA VAL 20 HA VAL 20 7.319 -4.185 20.550 164 HB VAL 20 HB VAL 20 9.628 -4.696 20.066 165 HG11 VAL 20 HG11 VAL 20 8.126 -6.491 21.005 166 HG12 VAL 20 HG12 VAL 20 7.842 -7.109 19.337 167 HG13 VAL 20 HG13 VAL 20 9.495 -7.159 20.037 168 HG21 VAL 20 HG21 VAL 20 10.210 -5.989 17.919 169 HG22 VAL 20 HG22 VAL 20 8.589 -5.565 17.277 170 HG23 VAL 20 HG23 VAL 20 9.778 -4.263 17.624 171 H THR 21 HN THR 21 6.192 -2.936 17.881 172 HA THR 21 HA THR 21 6.484 -1.293 16.486 173 HB THR 21 HB THR 21 5.381 -0.304 18.332 174 HG1 THR 21 HG1 THR 21 5.620 1.735 17.707 175 HG21 THR 21 HG21 THR 21 6.522 1.280 19.873 176 HG22 THR 21 HG22 THR 21 8.125 0.865 19.163 177 HG23 THR 21 HG23 THR 21 7.182 -0.377 20.060 178 H LYS 22 HN LYS 22 8.481 -2.616 15.828 179 HA LYS 22 HA LYS 22 10.337 -2.584 14.679 180 HB2 LYS 22 HB1 LYS 22 10.518 0.441 15.078 181 HB3 LYS 22 HB2 LYS 22 11.402 -0.514 13.865 182 HG2 LYS 22 HG1 LYS 22 9.617 -0.763 12.467 183 HG3 LYS 22 HG2 LYS 22 8.371 -0.769 13.731 184 HD2 LYS 22 HD1 LYS 22 9.899 1.838 13.144 185 HD3 LYS 22 HD2 LYS 22 8.648 1.245 12.022 186 HE2 LYS 22 HE1 LYS 22 7.507 2.796 13.457 187 HE3 LYS 22 HE2 LYS 22 6.958 1.135 13.900 188 HZ1 LYS 22 HZ1 LYS 22 8.738 2.969 15.421 189 HZ2 LYS 22 HZ2 LYS 22 8.777 1.301 15.684 190 HZ3 LYS 22 HZ3 LYS 22 7.363 2.093 15.921 191 H LYS 23 HN LYS 23 10.490 -1.313 17.912 192 HA LYS 23 HA LYS 23 13.235 -0.841 18.109 193 HB2 LYS 23 HB1 LYS 23 11.605 0.170 19.580 194 HB3 LYS 23 HB2 LYS 23 11.054 -1.411 20.191 195 HG2 LYS 23 HG1 LYS 23 13.986 -0.700 20.570 196 HG3 LYS 23 HG2 LYS 23 12.790 0.210 21.542 197 HD2 LYS 23 HD1 LYS 23 11.947 -1.735 22.644 198 HD3 LYS 23 HD2 LYS 23 12.639 -2.828 21.413 199 HE2 LYS 23 HE1 LYS 23 14.990 -2.154 22.208 200 HE3 LYS 23 HE2 LYS 23 14.205 -1.326 23.616 201 HZ1 LYS 23 HZ1 LYS 23 14.860 -3.638 24.082 202 HZ2 LYS 23 HZ2 LYS 23 13.865 -4.170 22.820 203 HZ3 LYS 23 HZ3 LYS 23 13.172 -3.453 24.185 204 H SER 24 HN SER 24 11.437 -3.836 18.822 205 HA SER 24 HA SER 24 12.111 -5.914 19.266 206 HB2 SER 24 HB1 SER 24 12.934 -5.616 16.911 207 HB3 SER 24 HB2 SER 24 14.567 -5.259 17.565 208 HG SER 24 HG1 SER 24 14.307 -7.490 17.038 Start of MODEL 13 1 H1 PHE 1 HN PHE 1 2.031 1.288 -3.697 2 HA PHE 1 HA PHE 1 3.458 1.932 -1.437 3 HB2 PHE 1 HB1 PHE 1 3.147 -0.047 0.035 4 HB3 PHE 1 HB2 PHE 1 1.589 0.821 -0.187 5 HD1 PHE 1 HD1 PHE 1 -0.108 -0.087 -1.840 6 HD2 PHE 1 HD2 PHE 1 3.342 -2.332 -0.619 7 HE1 PHE 1 HE1 PHE 1 -1.199 -2.174 -2.603 8 HE2 PHE 1 HE2 PHE 1 2.235 -4.429 -1.358 9 HZ PHE 1 HZ PHE 1 -0.028 -4.345 -2.363 10 H LEU 2 HN LEU 2 5.200 -0.018 -1.030 11 HA LEU 2 HA LEU 2 6.093 -0.719 -3.745 12 HB2 LEU 2 HB1 LEU 2 7.659 -0.576 -1.129 13 HB3 LEU 2 HB2 LEU 2 8.285 -1.184 -2.693 14 HG LEU 2 HG LEU 2 7.509 1.149 -3.654 15 HD11 LEU 2 HD11 LEU 2 6.403 2.075 -1.615 16 HD12 LEU 2 HD12 LEU 2 7.869 3.026 -2.026 17 HD13 LEU 2 HD13 LEU 2 7.928 1.843 -0.670 18 HD21 LEU 2 HD21 LEU 2 9.846 0.286 -3.592 19 HD22 LEU 2 HD22 LEU 2 10.016 0.853 -1.885 20 HD23 LEU 2 HD23 LEU 2 9.776 2.044 -3.214 21 HA PRO 3 HA PRO 3 4.396 -4.515 -2.139 22 HB2 PRO 3 HB1 PRO 3 4.365 -6.139 -4.447 23 HB3 PRO 3 HB2 PRO 3 3.214 -4.786 -4.141 24 HG2 PRO 3 HG1 PRO 3 5.818 -4.662 -5.759 25 HG3 PRO 3 HG2 PRO 3 4.169 -4.094 -6.247 26 HD2 PRO 3 HD1 PRO 3 5.982 -2.324 -5.220 27 HD3 PRO 3 HD2 PRO 3 4.248 -2.251 -4.672 28 H ILE 4 HN ILE 4 7.524 -4.613 -3.837 29 HA ILE 4 HA ILE 4 8.291 -7.146 -2.880 30 HB ILE 4 HB ILE 4 9.417 -6.097 -4.715 31 HG12 ILE 4 HG11 ILE 4 11.371 -6.510 -2.372 32 HG13 ILE 4 HG12 ILE 4 10.544 -7.827 -3.260 33 HG21 ILE 4 HG21 ILE 4 10.635 -4.068 -2.726 34 HG22 ILE 4 HG22 ILE 4 10.927 -4.182 -4.489 35 HG23 ILE 4 HG23 ILE 4 9.311 -3.682 -3.902 36 HD11 ILE 4 HD1 ILE 4 11.624 -7.043 -5.414 37 HD12 ILE 4 HD2 ILE 4 12.516 -5.782 -4.488 38 HD13 ILE 4 HD3 ILE 4 12.826 -7.521 -4.164 39 H LEU 5 HN LEU 5 8.732 -3.912 -1.366 40 HA LEU 5 HA LEU 5 10.041 -4.910 0.940 41 HB2 LEU 5 HB1 LEU 5 8.377 -2.349 0.592 42 HB3 LEU 5 HB2 LEU 5 9.505 -2.695 1.942 43 HG LEU 5 HG LEU 5 10.252 -2.295 -1.013 44 HD11 LEU 5 HD11 LEU 5 10.824 -0.608 1.506 45 HD12 LEU 5 HD12 LEU 5 9.618 -0.211 0.225 46 HD13 LEU 5 HD13 LEU 5 11.378 -0.245 -0.168 47 HD21 LEU 5 HD21 LEU 5 11.825 -3.957 -0.036 48 HD22 LEU 5 HD22 LEU 5 12.072 -2.899 1.408 49 HD23 LEU 5 HD23 LEU 5 12.637 -2.365 -0.215 50 H ALA 6 HN ALA 6 6.582 -4.264 0.230 51 HA ALA 6 HA ALA 6 5.607 -4.928 2.769 52 HB1 ALA 6 HB1 ALA 6 3.419 -5.188 1.586 53 HB2 ALA 6 HB2 ALA 6 4.300 -3.734 0.994 54 HB3 ALA 6 HB3 ALA 6 4.286 -5.239 0.005 55 H SER 7 HN SER 7 6.167 -7.048 -0.086 56 HA SER 7 HA SER 7 5.263 -9.439 1.051 57 HB2 SER 7 HB1 SER 7 5.753 -9.073 -1.379 58 HB3 SER 7 HB2 SER 7 7.508 -9.026 -1.012 59 HG SER 7 HG1 SER 7 6.567 -11.098 -1.736 60 H LEU 8 HN LEU 8 8.621 -8.055 1.093 61 HA LEU 8 HA LEU 8 9.702 -10.122 2.681 62 HB2 LEU 8 HB1 LEU 8 10.487 -7.177 2.357 63 HB3 LEU 8 HB2 LEU 8 11.498 -8.379 3.225 64 HG LEU 8 HG LEU 8 10.691 -8.620 0.268 65 HD11 LEU 8 HD11 LEU 8 13.009 -7.879 -0.247 66 HD12 LEU 8 HD12 LEU 8 13.322 -7.595 1.507 67 HD13 LEU 8 HD13 LEU 8 12.092 -6.603 0.634 68 HD21 LEU 8 HD21 LEU 8 12.805 -10.130 1.936 69 HD22 LEU 8 HD22 LEU 8 12.547 -10.287 0.159 70 HD23 LEU 8 HD23 LEU 8 11.258 -10.820 1.302 71 H ALA 9 HN ALA 9 8.222 -6.982 3.691 72 HA ALA 9 HA ALA 9 8.641 -7.325 6.426 73 HB1 ALA 9 HB1 ALA 9 7.991 -5.168 5.327 74 HB2 ALA 9 HB2 ALA 9 6.378 -5.858 4.940 75 HB3 ALA 9 HB3 ALA 9 6.852 -5.581 6.662 76 H ALA 10 HN ALA 10 5.842 -8.381 4.417 77 HA ALA 10 HA ALA 10 4.344 -9.529 6.480 78 HB1 ALA 10 HB1 ALA 10 4.545 -10.265 3.499 79 HB2 ALA 10 HB2 ALA 10 3.204 -10.750 4.607 80 HB3 ALA 10 HB3 ALA 10 3.466 -9.014 4.201 81 H LYS 11 HN LYS 11 6.809 -10.982 4.327 82 HA LYS 11 HA LYS 11 6.671 -13.591 5.266 83 HB2 LYS 11 HB1 LYS 11 7.657 -12.704 3.127 84 HB3 LYS 11 HB2 LYS 11 9.048 -12.069 4.047 85 HG2 LYS 11 HG1 LYS 11 9.728 -14.396 4.641 86 HG3 LYS 11 HG2 LYS 11 8.216 -15.038 3.914 87 HD2 LYS 11 HD1 LYS 11 8.888 -14.027 1.697 88 HD3 LYS 11 HD2 LYS 11 10.457 -13.539 2.416 89 HE2 LYS 11 HE1 LYS 11 11.058 -15.949 2.795 90 HE3 LYS 11 HE2 LYS 11 9.432 -16.463 2.189 91 HZ1 LYS 11 HZ1 LYS 11 11.116 -16.634 0.476 92 HZ2 LYS 11 HZ2 LYS 11 11.487 -14.984 0.615 93 HZ3 LYS 11 HZ3 LYS 11 9.962 -15.464 0.063 94 H PHE 12 HN PHE 12 8.726 -10.893 6.446 95 HA PHE 12 HA PHE 12 9.974 -12.673 8.390 96 HB2 PHE 12 HB1 PHE 12 10.399 -9.690 7.775 97 HB3 PHE 12 HB2 PHE 12 11.406 -10.661 8.920 98 HD1 PHE 12 HD1 PHE 12 11.873 -13.206 7.485 99 HD2 PHE 12 HD2 PHE 12 11.812 -9.162 6.026 100 HE1 PHE 12 HE1 PHE 12 13.410 -13.838 5.668 101 HE2 PHE 12 HE2 PHE 12 13.367 -9.795 4.212 102 HZ PHE 12 HZ PHE 12 14.164 -12.136 4.021 103 H GLY 13 HN GLY 13 7.033 -11.403 8.504 104 HA2 GLY 13 HA1 GLY 13 5.752 -11.836 10.366 105 HA3 GLY 13 HA2 GLY 13 7.181 -11.641 11.409 106 HA PRO 14 HA PRO 14 5.708 -7.289 10.727 107 HB2 PRO 14 HB1 PRO 14 3.164 -6.688 9.756 108 HB3 PRO 14 HB2 PRO 14 4.527 -7.168 8.676 109 HG2 PRO 14 HG1 PRO 14 2.340 -9.014 9.793 110 HG3 PRO 14 HG2 PRO 14 2.867 -8.815 8.072 111 HD2 PRO 14 HD1 PRO 14 3.899 -10.843 9.632 112 HD3 PRO 14 HD2 PRO 14 4.976 -9.921 8.495 113 H LYS 15 HN LYS 15 3.258 -9.554 11.939 114 HA LYS 15 HA LYS 15 2.264 -7.811 13.921 115 HB2 LYS 15 HB1 LYS 15 1.015 -9.850 13.273 116 HB3 LYS 15 HB2 LYS 15 2.319 -10.875 13.943 117 HG2 LYS 15 HG1 LYS 15 0.423 -10.788 15.517 118 HG3 LYS 15 HG2 LYS 15 1.859 -10.016 16.230 119 HD2 LYS 15 HD1 LYS 15 0.583 -7.824 15.040 120 HD3 LYS 15 HD2 LYS 15 -0.816 -8.828 15.483 121 HE2 LYS 15 HE1 LYS 15 -0.294 -8.694 17.858 122 HE3 LYS 15 HE2 LYS 15 1.425 -8.236 17.526 123 HZ1 LYS 15 HZ1 LYS 15 0.105 -6.339 18.235 124 HZ2 LYS 15 HZ2 LYS 15 -0.915 -6.506 16.883 125 HZ3 LYS 15 HZ3 LYS 15 0.731 -6.165 16.676 126 H LEU 16 HN LEU 16 5.059 -10.026 13.935 127 HA LEU 16 HA LEU 16 5.814 -9.657 16.622 128 HB2 LEU 16 HB1 LEU 16 6.652 -11.491 15.138 129 HB3 LEU 16 HB2 LEU 16 7.465 -10.284 14.101 130 HG LEU 16 HG LEU 16 8.958 -9.654 16.027 131 HD11 LEU 16 HD11 LEU 16 7.532 -10.265 17.970 132 HD12 LEU 16 HD12 LEU 16 9.068 -11.198 18.024 133 HD13 LEU 16 HD13 LEU 16 7.557 -11.999 17.469 134 HD21 LEU 16 HD21 LEU 16 8.926 -12.654 15.322 135 HD22 LEU 16 HD22 LEU 16 10.338 -11.731 15.950 136 HD23 LEU 16 HD23 LEU 16 9.655 -11.347 14.324 137 H PHE 17 HN PHE 17 6.688 -7.829 13.631 138 HA PHE 17 HA PHE 17 8.352 -5.963 14.918 139 HB2 PHE 17 HB1 PHE 17 8.044 -6.409 12.376 140 HB3 PHE 17 HB2 PHE 17 6.537 -5.443 12.467 141 HD1 PHE 17 HD1 PHE 17 6.674 -2.993 13.005 142 HD2 PHE 17 HD2 PHE 17 10.197 -5.382 12.423 143 HE1 PHE 17 HE1 PHE 17 8.033 -0.939 12.747 144 HE2 PHE 17 HE2 PHE 17 11.555 -3.330 12.199 145 HZ PHE 17 HZ PHE 17 10.470 -1.101 12.368 146 H SER 18 HN SER 18 4.837 -5.887 14.345 147 HA SER 18 HA SER 18 4.356 -3.294 14.906 148 HB2 SER 18 HB1 SER 18 1.998 -3.768 15.095 149 HB3 SER 18 HB2 SER 18 2.710 -4.847 13.857 150 HG SER 18 HG1 SER 18 2.859 -6.433 15.604 151 H LEU 19 HN LEU 19 4.544 -5.748 17.555 152 HA LEU 19 HA LEU 19 2.974 -4.231 19.299 153 HB2 LEU 19 HB1 LEU 19 3.844 -5.619 21.143 154 HB3 LEU 19 HB2 LEU 19 3.193 -6.554 19.778 155 HG LEU 19 HG LEU 19 6.144 -6.087 19.581 156 HD11 LEU 19 HD11 LEU 19 5.938 -6.243 22.069 157 HD12 LEU 19 HD12 LEU 19 6.742 -7.700 21.378 158 HD13 LEU 19 HD13 LEU 19 5.020 -7.783 21.901 159 HD21 LEU 19 HD21 LEU 19 4.868 -7.682 18.107 160 HD22 LEU 19 HD22 LEU 19 4.400 -8.640 19.568 161 HD23 LEU 19 HD23 LEU 19 6.130 -8.518 19.080 162 H VAL 20 HN VAL 20 6.520 -3.985 18.874 163 HA VAL 20 HA VAL 20 6.398 -1.661 20.727 164 HB VAL 20 HB VAL 20 8.948 -3.033 19.791 165 HG11 VAL 20 HG11 VAL 20 8.171 -1.354 22.283 166 HG12 VAL 20 HG12 VAL 20 9.795 -2.063 21.968 167 HG13 VAL 20 HG13 VAL 20 9.158 -0.756 20.895 168 HG21 VAL 20 HG21 VAL 20 7.164 -3.775 22.200 169 HG22 VAL 20 HG22 VAL 20 7.669 -4.858 20.843 170 HG23 VAL 20 HG23 VAL 20 8.885 -4.267 22.020 171 H THR 21 HN THR 21 5.920 -2.276 17.607 172 HA THR 21 HA THR 21 6.451 -1.616 15.581 173 HB THR 21 HB THR 21 6.860 1.174 16.684 174 HG1 THR 21 HG1 THR 21 4.944 0.219 17.434 175 HG21 THR 21 HG21 THR 21 5.743 0.030 14.013 176 HG22 THR 21 HG22 THR 21 7.313 0.913 14.191 177 HG23 THR 21 HG23 THR 21 5.760 1.766 14.480 178 H LYS 22 HN LYS 22 8.453 -2.986 16.410 179 HA LYS 22 HA LYS 22 11.011 -2.117 15.598 180 HB2 LYS 22 HB1 LYS 22 10.569 -0.287 17.321 181 HB3 LYS 22 HB2 LYS 22 10.189 -1.546 18.519 182 HG2 LYS 22 HG1 LYS 22 12.715 -2.275 18.224 183 HG3 LYS 22 HG2 LYS 22 12.911 -0.699 17.388 184 HD2 LYS 22 HD1 LYS 22 11.878 -1.260 20.238 185 HD3 LYS 22 HD2 LYS 22 13.453 -0.508 19.813 186 HE2 LYS 22 HE1 LYS 22 12.269 1.539 18.964 187 HE3 LYS 22 HE2 LYS 22 10.661 0.777 19.280 188 HZ1 LYS 22 HZ1 LYS 22 12.709 1.383 21.350 189 HZ2 LYS 22 HZ2 LYS 22 11.197 0.656 21.603 190 HZ3 LYS 22 HZ3 LYS 22 11.280 2.248 21.041 191 H LYS 23 HN LYS 23 11.249 -4.462 15.169 192 HA LYS 23 HA LYS 23 12.165 -5.906 17.416 193 HB2 LYS 23 HB1 LYS 23 9.423 -5.997 17.467 194 HB3 LYS 23 HB2 LYS 23 9.684 -7.365 16.385 195 HG2 LYS 23 HG1 LYS 23 10.690 -7.001 19.292 196 HG3 LYS 23 HG2 LYS 23 9.362 -8.027 18.696 197 HD2 LYS 23 HD1 LYS 23 10.896 -9.693 18.867 198 HD3 LYS 23 HD2 LYS 23 11.290 -9.156 17.214 199 HE2 LYS 23 HE1 LYS 23 12.954 -7.501 18.814 200 HE3 LYS 23 HE2 LYS 23 12.872 -9.000 19.818 201 HZ1 LYS 23 HZ1 LYS 23 13.656 -8.744 16.972 202 HZ2 LYS 23 HZ2 LYS 23 13.541 -10.233 17.777 203 HZ3 LYS 23 HZ3 LYS 23 14.702 -9.081 18.258 204 H SER 24 HN SER 24 10.629 -6.441 14.185 205 HA SER 24 HA SER 24 12.660 -8.523 13.635 206 HB2 SER 24 HB1 SER 24 10.223 -9.139 13.280 207 HB3 SER 24 HB2 SER 24 10.154 -7.904 11.975 208 HG SER 24 HG1 SER 24 10.689 -10.058 11.246 Start of MODEL 14 1 H1 PHE 1 HN PHE 1 9.953 -0.434 -4.096 2 HA PHE 1 HA PHE 1 8.608 1.418 -3.419 3 HB2 PHE 1 HB1 PHE 1 7.103 -0.397 -5.441 4 HB3 PHE 1 HB2 PHE 1 6.813 1.374 -5.221 5 HD1 PHE 1 HD1 PHE 1 8.956 -1.178 -6.727 6 HD2 PHE 1 HD2 PHE 1 8.669 2.988 -5.710 7 HE1 PHE 1 HE1 PHE 1 10.799 -0.665 -8.302 8 HE2 PHE 1 HE2 PHE 1 10.509 3.497 -7.289 9 HZ PHE 1 HZ PHE 1 11.574 1.671 -8.582 10 H LEU 2 HN LEU 2 6.465 -1.409 -3.685 11 HA LEU 2 HA LEU 2 5.490 -0.951 -0.992 12 HB2 LEU 2 HB1 LEU 2 4.143 0.591 -2.370 13 HB3 LEU 2 HB2 LEU 2 3.471 -0.762 -3.304 14 HG LEU 2 HG LEU 2 3.213 -0.479 -0.242 15 HD11 LEU 2 HD11 LEU 2 2.282 1.542 -1.357 16 HD12 LEU 2 HD12 LEU 2 0.970 0.530 -0.650 17 HD13 LEU 2 HD13 LEU 2 1.271 0.502 -2.427 18 HD21 LEU 2 HD21 LEU 2 1.130 -1.885 -0.565 19 HD22 LEU 2 HD22 LEU 2 2.624 -2.782 -0.994 20 HD23 LEU 2 HD23 LEU 2 1.567 -2.103 -2.297 21 HA PRO 3 HA PRO 3 3.807 -5.122 -2.059 22 HB2 PRO 3 HB1 PRO 3 4.302 -6.453 -4.504 23 HB3 PRO 3 HB2 PRO 3 2.880 -5.393 -4.189 24 HG2 PRO 3 HG1 PRO 3 5.539 -4.582 -5.493 25 HG3 PRO 3 HG2 PRO 3 3.861 -4.295 -6.108 26 HD2 PRO 3 HD1 PRO 3 5.145 -2.323 -4.738 27 HD3 PRO 3 HD2 PRO 3 3.404 -2.688 -4.347 28 H ILE 4 HN ILE 4 7.061 -4.587 -3.482 29 HA ILE 4 HA ILE 4 8.115 -7.037 -2.554 30 HB ILE 4 HB ILE 4 9.195 -5.784 -4.284 31 HG12 ILE 4 HG11 ILE 4 11.028 -5.993 -1.820 32 HG13 ILE 4 HG12 ILE 4 10.465 -7.383 -2.801 33 HG21 ILE 4 HG21 ILE 4 9.984 -3.669 -2.172 34 HG22 ILE 4 HG22 ILE 4 10.395 -3.682 -3.913 35 HG23 ILE 4 HG23 ILE 4 8.694 -3.433 -3.419 36 HD11 ILE 4 HD1 ILE 4 11.562 -6.368 -4.849 37 HD12 ILE 4 HD2 ILE 4 12.195 -5.029 -3.824 38 HD13 ILE 4 HD3 ILE 4 12.734 -6.717 -3.529 39 H LEU 5 HN LEU 5 7.972 -3.823 -0.951 40 HA LEU 5 HA LEU 5 9.290 -4.606 1.409 41 HB2 LEU 5 HB1 LEU 5 7.165 -2.420 0.981 42 HB3 LEU 5 HB2 LEU 5 8.320 -2.512 2.349 43 HG LEU 5 HG LEU 5 9.037 -2.057 -0.614 44 HD11 LEU 5 HD11 LEU 5 9.607 0.238 0.110 45 HD12 LEU 5 HD12 LEU 5 9.082 -0.137 1.794 46 HD13 LEU 5 HD13 LEU 5 7.880 -0.125 0.448 47 HD21 LEU 5 HD21 LEU 5 10.846 -2.075 1.889 48 HD22 LEU 5 HD22 LEU 5 11.335 -1.535 0.243 49 HD23 LEU 5 HD23 LEU 5 10.906 -3.258 0.523 50 H ALA 6 HN ALA 6 5.806 -4.494 0.553 51 HA ALA 6 HA ALA 6 4.807 -5.432 2.983 52 HB1 ALA 6 HB1 ALA 6 3.712 -5.789 0.124 53 HB2 ALA 6 HB2 ALA 6 2.751 -5.943 1.645 54 HB3 ALA 6 HB3 ALA 6 3.444 -4.350 1.170 55 H SER 7 HN SER 7 5.849 -7.281 0.077 56 HA SER 7 HA SER 7 5.235 -9.831 1.025 57 HB2 SER 7 HB1 SER 7 5.851 -9.331 -1.337 58 HB3 SER 7 HB2 SER 7 7.538 -9.008 -0.840 59 HG SER 7 HG1 SER 7 6.891 -11.166 -1.706 60 H LEU 8 HN LEU 8 8.299 -7.938 1.537 61 HA LEU 8 HA LEU 8 9.496 -9.996 3.115 62 HB2 LEU 8 HB1 LEU 8 9.916 -6.961 3.067 63 HB3 LEU 8 HB2 LEU 8 10.993 -8.118 3.913 64 HG LEU 8 HG LEU 8 10.464 -8.142 0.881 65 HD11 LEU 8 HD11 LEU 8 11.550 -6.018 1.561 66 HD12 LEU 8 HD12 LEU 8 12.691 -7.070 0.649 67 HD13 LEU 8 HD13 LEU 8 12.831 -6.936 2.441 68 HD21 LEU 8 HD21 LEU 8 11.252 -10.358 1.794 69 HD22 LEU 8 HD22 LEU 8 12.665 -9.521 2.547 70 HD23 LEU 8 HD23 LEU 8 12.494 -9.561 0.760 71 H ALA 9 HN ALA 9 7.620 -7.045 4.073 72 HA ALA 9 HA ALA 9 7.901 -7.426 6.804 73 HB1 ALA 9 HB1 ALA 9 5.668 -6.011 5.225 74 HB2 ALA 9 HB2 ALA 9 6.056 -5.733 6.968 75 HB3 ALA 9 HB3 ALA 9 7.243 -5.284 5.690 76 H ALA 10 HN ALA 10 5.165 -8.526 4.712 77 HA ALA 10 HA ALA 10 3.646 -9.612 6.812 78 HB1 ALA 10 HB1 ALA 10 3.754 -10.339 3.822 79 HB2 ALA 10 HB2 ALA 10 2.425 -10.789 4.962 80 HB3 ALA 10 HB3 ALA 10 2.731 -9.061 4.558 81 H LYS 11 HN LYS 11 6.102 -11.065 4.687 82 HA LYS 11 HA LYS 11 5.766 -13.733 5.494 83 HB2 LYS 11 HB1 LYS 11 6.750 -12.844 3.392 84 HB3 LYS 11 HB2 LYS 11 8.207 -12.304 4.307 85 HG2 LYS 11 HG1 LYS 11 8.642 -14.748 4.880 86 HG3 LYS 11 HG2 LYS 11 7.218 -15.208 3.908 87 HD2 LYS 11 HD1 LYS 11 9.838 -13.898 2.899 88 HD3 LYS 11 HD2 LYS 11 9.285 -15.574 2.671 89 HE2 LYS 11 HE1 LYS 11 8.805 -14.677 0.568 90 HE3 LYS 11 HE2 LYS 11 7.204 -14.535 1.389 91 HZ1 LYS 11 HZ1 LYS 11 7.741 -12.463 0.279 92 HZ2 LYS 11 HZ2 LYS 11 9.253 -12.386 1.026 93 HZ3 LYS 11 HZ3 LYS 11 7.832 -12.200 1.912 94 H PHE 12 HN PHE 12 7.952 -11.183 6.773 95 HA PHE 12 HA PHE 12 9.168 -13.133 8.569 96 HB2 PHE 12 HB1 PHE 12 9.669 -10.125 8.214 97 HB3 PHE 12 HB2 PHE 12 10.688 -11.256 9.188 98 HD1 PHE 12 HD1 PHE 12 11.322 -9.399 6.744 99 HD2 PHE 12 HD2 PHE 12 10.704 -13.639 7.142 100 HE1 PHE 12 HE1 PHE 12 12.787 -9.802 4.796 101 HE2 PHE 12 HE2 PHE 12 12.138 -14.031 5.187 102 HZ PHE 12 HZ PHE 12 13.192 -12.119 4.004 103 H GLY 13 HN GLY 13 6.275 -11.701 8.783 104 HA2 GLY 13 HA1 GLY 13 4.963 -12.146 10.623 105 HA3 GLY 13 HA2 GLY 13 6.403 -12.112 11.670 106 HA PRO 14 HA PRO 14 5.339 -7.627 10.961 107 HB2 PRO 14 HB1 PRO 14 2.709 -6.818 10.364 108 HB3 PRO 14 HB2 PRO 14 3.909 -7.343 9.123 109 HG2 PRO 14 HG1 PRO 14 1.767 -9.089 10.459 110 HG3 PRO 14 HG2 PRO 14 2.105 -8.889 8.690 111 HD2 PRO 14 HD1 PRO 14 3.176 -11.005 10.062 112 HD3 PRO 14 HD2 PRO 14 4.209 -10.093 8.875 113 H LYS 15 HN LYS 15 3.091 -9.641 12.723 114 HA LYS 15 HA LYS 15 2.358 -7.774 14.707 115 HB2 LYS 15 HB1 LYS 15 1.204 -9.964 14.379 116 HB3 LYS 15 HB2 LYS 15 2.673 -10.817 14.934 117 HG2 LYS 15 HG1 LYS 15 1.016 -10.783 16.714 118 HG3 LYS 15 HG2 LYS 15 2.425 -9.795 17.209 119 HD2 LYS 15 HD1 LYS 15 1.171 -7.702 16.549 120 HD3 LYS 15 HD2 LYS 15 -0.260 -8.681 16.131 121 HE2 LYS 15 HE1 LYS 15 1.058 -8.461 18.941 122 HE3 LYS 15 HE2 LYS 15 -0.395 -7.537 18.393 123 HZ1 LYS 15 HZ1 LYS 15 -1.551 -9.630 18.083 124 HZ2 LYS 15 HZ2 LYS 15 -0.999 -9.472 19.675 125 HZ3 LYS 15 HZ3 LYS 15 -0.192 -10.503 18.600 126 H LEU 16 HN LEU 16 5.285 -9.798 14.369 127 HA LEU 16 HA LEU 16 6.360 -9.328 16.933 128 HB2 LEU 16 HB1 LEU 16 7.636 -10.143 14.256 129 HB3 LEU 16 HB2 LEU 16 8.558 -9.972 15.775 130 HG LEU 16 HG LEU 16 7.117 -11.726 16.852 131 HD11 LEU 16 HD11 LEU 16 6.107 -12.176 13.969 132 HD12 LEU 16 HD12 LEU 16 5.092 -11.803 15.425 133 HD13 LEU 16 HD13 LEU 16 5.962 -13.369 15.306 134 HD21 LEU 16 HD21 LEU 16 8.318 -13.598 15.715 135 HD22 LEU 16 HD22 LEU 16 9.397 -12.174 15.940 136 HD23 LEU 16 HD23 LEU 16 8.686 -12.524 14.320 137 H PHE 17 HN PHE 17 6.692 -7.597 13.797 138 HA PHE 17 HA PHE 17 8.387 -5.544 14.815 139 HB2 PHE 17 HB1 PHE 17 7.971 -6.076 12.346 140 HB3 PHE 17 HB2 PHE 17 6.328 -5.378 12.513 141 HD1 PHE 17 HD1 PHE 17 9.868 -4.686 12.033 142 HD2 PHE 17 HD2 PHE 17 6.111 -2.908 13.139 143 HE1 PHE 17 HE1 PHE 17 10.794 -2.437 11.591 144 HE2 PHE 17 HE2 PHE 17 7.057 -0.664 12.744 145 HZ PHE 17 HZ PHE 17 9.397 -0.421 11.965 146 H SER 18 HN SER 18 4.833 -5.739 14.409 147 HA SER 18 HA SER 18 4.186 -3.219 15.208 148 HB2 SER 18 HB1 SER 18 2.673 -4.901 14.060 149 HB3 SER 18 HB2 SER 18 2.398 -5.678 15.652 150 HG SER 18 HG1 SER 18 1.686 -3.446 16.305 151 H LEU 19 HN LEU 19 4.496 -6.058 17.433 152 HA LEU 19 HA LEU 19 3.153 -4.719 19.506 153 HB2 LEU 19 HB1 LEU 19 3.614 -6.603 20.895 154 HB3 LEU 19 HB2 LEU 19 3.240 -7.149 19.235 155 HG LEU 19 HG LEU 19 5.956 -7.119 19.030 156 HD11 LEU 19 HD11 LEU 19 5.403 -7.862 21.987 157 HD12 LEU 19 HD12 LEU 19 6.249 -6.370 21.474 158 HD13 LEU 19 HD13 LEU 19 6.983 -7.988 21.140 159 HD21 LEU 19 HD21 LEU 19 5.892 -9.567 19.519 160 HD22 LEU 19 HD22 LEU 19 4.445 -9.065 18.565 161 HD23 LEU 19 HD23 LEU 19 4.304 -9.373 20.340 162 H VAL 20 HN VAL 20 6.431 -4.258 18.537 163 HA VAL 20 HA VAL 20 6.813 -2.623 21.005 164 HB VAL 20 HB VAL 20 9.046 -3.568 19.144 165 HG11 VAL 20 HG11 VAL 20 9.646 -1.595 20.593 166 HG12 VAL 20 HG12 VAL 20 8.981 -2.446 22.037 167 HG13 VAL 20 HG13 VAL 20 10.452 -3.070 21.219 168 HG21 VAL 20 HG21 VAL 20 7.996 -4.838 21.759 169 HG22 VAL 20 HG22 VAL 20 8.026 -5.632 20.146 170 HG23 VAL 20 HG23 VAL 20 9.570 -5.250 21.014 171 H THR 21 HN THR 21 5.604 -2.431 18.045 172 HA THR 21 HA THR 21 6.009 -1.585 16.065 173 HB THR 21 HB THR 21 4.354 -0.227 17.039 174 HG1 THR 21 HG1 THR 21 4.508 1.373 15.475 175 HG21 THR 21 HG21 THR 21 4.769 2.071 17.772 176 HG22 THR 21 HG22 THR 21 6.529 1.930 17.441 177 HG23 THR 21 HG23 THR 21 5.769 0.971 18.784 178 H LYS 22 HN LYS 22 8.099 -2.557 16.064 179 HA LYS 22 HA LYS 22 10.295 -1.226 15.043 180 HB2 LYS 22 HB1 LYS 22 10.010 -0.986 18.035 181 HB3 LYS 22 HB2 LYS 22 11.598 -1.604 17.543 182 HG2 LYS 22 HG1 LYS 22 12.239 0.291 16.371 183 HG3 LYS 22 HG2 LYS 22 10.606 0.985 16.255 184 HD2 LYS 22 HD1 LYS 22 11.687 0.466 19.060 185 HD3 LYS 22 HD2 LYS 22 12.499 1.736 18.111 186 HE2 LYS 22 HE1 LYS 22 10.691 2.650 19.609 187 HE3 LYS 22 HE2 LYS 22 10.474 3.052 17.861 188 HZ1 LYS 22 HZ1 LYS 22 8.406 2.348 18.930 189 HZ2 LYS 22 HZ2 LYS 22 9.036 0.812 19.243 190 HZ3 LYS 22 HZ3 LYS 22 8.862 1.320 17.676 191 H LYS 23 HN LYS 23 11.233 -3.017 14.052 192 HA LYS 23 HA LYS 23 12.668 -4.652 15.745 193 HB2 LYS 23 HB1 LYS 23 10.300 -5.897 15.499 194 HB3 LYS 23 HB2 LYS 23 10.938 -6.412 13.929 195 HG2 LYS 23 HG1 LYS 23 12.458 -7.863 14.909 196 HG3 LYS 23 HG2 LYS 23 12.849 -6.776 16.269 197 HD2 LYS 23 HD1 LYS 23 10.179 -8.317 16.124 198 HD3 LYS 23 HD2 LYS 23 11.685 -9.017 16.767 199 HE2 LYS 23 HE1 LYS 23 10.486 -8.284 18.684 200 HE3 LYS 23 HE2 LYS 23 11.855 -7.126 18.474 201 HZ1 LYS 23 HZ1 LYS 23 9.703 -6.074 19.005 202 HZ2 LYS 23 HZ2 LYS 23 9.055 -6.674 17.564 203 HZ3 LYS 23 HZ3 LYS 23 10.292 -5.538 17.522 204 H SER 24 HN SER 24 14.118 -6.174 14.276 205 HA SER 24 HA SER 24 15.657 -6.251 12.726 206 HB2 SER 24 HB1 SER 24 13.828 -6.455 11.015 207 HB3 SER 24 HB2 SER 24 13.914 -4.673 10.772 208 HG SER 24 HG1 SER 24 15.260 -5.832 9.293 Start of MODEL 15 1 H1 PHE 1 HN PHE 1 5.737 1.410 1.482 2 HA PHE 1 HA PHE 1 4.039 -0.460 1.117 3 HB2 PHE 1 HB1 PHE 1 4.248 1.855 -0.933 4 HB3 PHE 1 HB2 PHE 1 2.747 0.923 -0.566 5 HD1 PHE 1 HD1 PHE 1 4.704 3.790 0.317 6 HD2 PHE 1 HD2 PHE 1 1.978 0.883 1.917 7 HE1 PHE 1 HE1 PHE 1 4.186 5.315 2.198 8 HE2 PHE 1 HE2 PHE 1 1.458 2.406 3.801 9 HZ PHE 1 HZ PHE 1 2.565 4.624 3.945 10 H LEU 2 HN LEU 2 6.751 -0.199 -0.877 11 HA LEU 2 HA LEU 2 5.878 -1.207 -3.287 12 HB2 LEU 2 HB1 LEU 2 8.649 -1.378 -1.971 13 HB3 LEU 2 HB2 LEU 2 8.326 -1.883 -3.657 14 HG LEU 2 HG LEU 2 7.479 0.477 -4.135 15 HD11 LEU 2 HD11 LEU 2 8.929 1.086 -1.471 16 HD12 LEU 2 HD12 LEU 2 7.201 1.458 -1.874 17 HD13 LEU 2 HD13 LEU 2 8.526 2.305 -2.732 18 HD21 LEU 2 HD21 LEU 2 9.799 1.298 -4.508 19 HD22 LEU 2 HD22 LEU 2 9.655 -0.447 -4.922 20 HD23 LEU 2 HD23 LEU 2 10.438 0.054 -3.374 21 HA PRO 3 HA PRO 3 4.942 -5.324 -2.491 22 HB2 PRO 3 HB1 PRO 3 5.471 -6.685 -4.924 23 HB3 PRO 3 HB2 PRO 3 4.091 -5.557 -4.652 24 HG2 PRO 3 HG1 PRO 3 6.826 -4.881 -5.868 25 HG3 PRO 3 HG2 PRO 3 5.184 -4.487 -6.521 26 HD2 PRO 3 HD1 PRO 3 6.575 -2.623 -5.089 27 HD3 PRO 3 HD2 PRO 3 4.797 -2.848 -4.763 28 H ILE 4 HN ILE 4 8.273 -4.958 -3.723 29 HA ILE 4 HA ILE 4 9.145 -7.481 -2.832 30 HB ILE 4 HB ILE 4 10.385 -6.256 -4.459 31 HG12 ILE 4 HG11 ILE 4 12.684 -6.404 -3.573 32 HG13 ILE 4 HG12 ILE 4 12.078 -6.555 -1.902 33 HG21 ILE 4 HG21 ILE 4 11.656 -4.212 -3.977 34 HG22 ILE 4 HG22 ILE 4 9.919 -3.902 -3.666 35 HG23 ILE 4 HG23 ILE 4 11.067 -4.163 -2.288 36 HD11 ILE 4 HD1 ILE 4 12.724 -8.774 -2.937 37 HD12 ILE 4 HD2 ILE 4 10.987 -8.748 -2.475 38 HD13 ILE 4 HD3 ILE 4 11.470 -8.544 -4.205 39 H LEU 5 HN LEU 5 9.175 -4.320 -1.040 40 HA LEU 5 HA LEU 5 10.295 -5.586 1.262 41 HB2 LEU 5 HB1 LEU 5 10.161 -3.523 2.424 42 HB3 LEU 5 HB2 LEU 5 10.750 -3.251 0.766 43 HG LEU 5 HG LEU 5 8.186 -2.642 0.269 44 HD11 LEU 5 HD11 LEU 5 7.297 -3.175 2.580 45 HD12 LEU 5 HD12 LEU 5 7.142 -1.428 2.191 46 HD13 LEU 5 HD13 LEU 5 8.460 -1.989 3.282 47 HD21 LEU 5 HD21 LEU 5 10.140 -1.125 -0.013 48 HD22 LEU 5 HD22 LEU 5 10.135 -0.776 1.757 49 HD23 LEU 5 HD23 LEU 5 8.744 -0.262 0.734 50 H ALA 6 HN ALA 6 6.955 -4.838 0.247 51 HA ALA 6 HA ALA 6 5.682 -5.669 2.584 52 HB1 ALA 6 HB1 ALA 6 3.677 -5.902 1.109 53 HB2 ALA 6 HB2 ALA 6 4.599 -4.413 0.690 54 HB3 ALA 6 HB3 ALA 6 4.747 -5.874 -0.344 55 H SER 7 HN SER 7 6.688 -7.602 -0.272 56 HA SER 7 HA SER 7 5.746 -10.086 0.555 57 HB2 SER 7 HB1 SER 7 6.600 -9.634 -1.729 58 HB3 SER 7 HB2 SER 7 8.256 -9.409 -1.093 59 HG SER 7 HG1 SER 7 7.608 -11.512 -2.046 60 H LEU 8 HN LEU 8 8.934 -8.543 1.345 61 HA LEU 8 HA LEU 8 9.786 -10.739 2.962 62 HB2 LEU 8 HB1 LEU 8 10.578 -7.778 2.996 63 HB3 LEU 8 HB2 LEU 8 11.456 -9.084 3.855 64 HG LEU 8 HG LEU 8 11.094 -8.905 0.802 65 HD11 LEU 8 HD11 LEU 8 13.481 -8.235 0.750 66 HD12 LEU 8 HD12 LEU 8 13.539 -8.236 2.552 67 HD13 LEU 8 HD13 LEU 8 12.494 -7.051 1.681 68 HD21 LEU 8 HD21 LEU 8 12.893 -10.758 2.491 69 HD22 LEU 8 HD22 LEU 8 12.871 -10.642 0.697 70 HD23 LEU 8 HD23 LEU 8 11.425 -11.271 1.567 71 H ALA 9 HN ALA 9 8.195 -7.601 3.827 72 HA ALA 9 HA ALA 9 8.262 -8.003 6.566 73 HB1 ALA 9 HB1 ALA 9 6.588 -6.134 6.623 74 HB2 ALA 9 HB2 ALA 9 7.892 -5.807 5.423 75 HB3 ALA 9 HB3 ALA 9 6.284 -6.375 4.857 76 H ALA 10 HN ALA 10 5.571 -8.834 4.300 77 HA ALA 10 HA ALA 10 3.828 -9.782 6.293 78 HB1 ALA 10 HB1 ALA 10 4.071 -10.519 3.312 79 HB2 ALA 10 HB2 ALA 10 2.636 -10.852 4.359 80 HB3 ALA 10 HB3 ALA 10 3.115 -9.157 3.985 81 H LYS 11 HN LYS 11 6.277 -11.441 4.327 82 HA LYS 11 HA LYS 11 5.700 -14.071 5.169 83 HB2 LYS 11 HB1 LYS 11 6.725 -13.500 3.066 84 HB3 LYS 11 HB2 LYS 11 8.129 -12.730 3.893 85 HG2 LYS 11 HG1 LYS 11 9.054 -14.822 4.541 86 HG3 LYS 11 HG2 LYS 11 7.525 -15.703 4.289 87 HD2 LYS 11 HD1 LYS 11 9.307 -16.163 2.584 88 HD3 LYS 11 HD2 LYS 11 7.730 -15.706 1.903 89 HE2 LYS 11 HE1 LYS 11 10.015 -13.629 2.218 90 HE3 LYS 11 HE2 LYS 11 9.924 -14.760 0.812 91 HZ1 LYS 11 HZ1 LYS 11 7.604 -13.908 0.468 92 HZ2 LYS 11 HZ2 LYS 11 8.811 -12.777 0.167 93 HZ3 LYS 11 HZ3 LYS 11 7.937 -12.689 1.578 94 H PHE 12 HN PHE 12 8.034 -11.667 6.492 95 HA PHE 12 HA PHE 12 9.010 -13.682 8.360 96 HB2 PHE 12 HB1 PHE 12 9.747 -10.724 7.993 97 HB3 PHE 12 HB2 PHE 12 10.627 -11.901 9.046 98 HD1 PHE 12 HD1 PHE 12 10.557 -14.322 7.021 99 HD2 PHE 12 HD2 PHE 12 11.571 -10.156 6.649 100 HE1 PHE 12 HE1 PHE 12 12.074 -14.857 5.166 101 HE2 PHE 12 HE2 PHE 12 13.119 -10.706 4.802 102 HZ PHE 12 HZ PHE 12 13.363 -13.056 4.043 103 H GLY 13 HN GLY 13 6.228 -12.034 8.436 104 HA2 GLY 13 HA1 GLY 13 4.814 -12.375 10.234 105 HA3 GLY 13 HA2 GLY 13 6.208 -12.390 11.343 106 HA PRO 14 HA PRO 14 5.453 -7.872 10.487 107 HB2 PRO 14 HB1 PRO 14 2.947 -6.914 9.663 108 HB3 PRO 14 HB2 PRO 14 4.170 -7.598 8.524 109 HG2 PRO 14 HG1 PRO 14 1.830 -9.110 9.820 110 HG3 PRO 14 HG2 PRO 14 2.259 -9.012 8.061 111 HD2 PRO 14 HD1 PRO 14 3.110 -11.137 9.573 112 HD3 PRO 14 HD2 PRO 14 4.253 -10.359 8.390 113 H LYS 15 HN LYS 15 3.106 -9.792 12.186 114 HA LYS 15 HA LYS 15 2.315 -7.756 13.972 115 HB2 LYS 15 HB1 LYS 15 1.586 -10.472 13.677 116 HB3 LYS 15 HB2 LYS 15 2.169 -10.315 15.357 117 HG2 LYS 15 HG1 LYS 15 0.040 -8.575 13.970 118 HG3 LYS 15 HG2 LYS 15 -0.297 -9.884 15.141 119 HD2 LYS 15 HD1 LYS 15 0.658 -8.613 16.994 120 HD3 LYS 15 HD2 LYS 15 1.416 -7.439 15.886 121 HE2 LYS 15 HE1 LYS 15 -1.042 -6.840 15.115 122 HE3 LYS 15 HE2 LYS 15 -1.549 -7.646 16.653 123 HZ1 LYS 15 HZ1 LYS 15 0.277 -5.321 16.286 124 HZ2 LYS 15 HZ2 LYS 15 0.093 -6.117 17.771 125 HZ3 LYS 15 HZ3 LYS 15 -1.226 -5.332 17.046 126 H LEU 16 HN LEU 16 5.215 -9.781 13.880 127 HA LEU 16 HA LEU 16 6.136 -9.283 16.495 128 HB2 LEU 16 HB1 LEU 16 7.684 -9.815 13.893 129 HB3 LEU 16 HB2 LEU 16 8.371 -9.934 15.543 130 HG LEU 16 HG LEU 16 6.085 -11.675 14.441 131 HD11 LEU 16 HD11 LEU 16 7.788 -13.477 14.319 132 HD12 LEU 16 HD12 LEU 16 9.071 -12.323 14.837 133 HD13 LEU 16 HD13 LEU 16 8.229 -12.091 13.261 134 HD21 LEU 16 HD21 LEU 16 7.723 -11.905 17.052 135 HD22 LEU 16 HD22 LEU 16 6.539 -13.113 16.442 136 HD23 LEU 16 HD23 LEU 16 5.968 -11.481 16.936 137 H PHE 17 HN PHE 17 6.641 -7.519 13.398 138 HA PHE 17 HA PHE 17 8.168 -5.411 14.525 139 HB2 PHE 17 HB1 PHE 17 7.956 -5.960 12.037 140 HB3 PHE 17 HB2 PHE 17 6.269 -5.351 12.076 141 HD1 PHE 17 HD1 PHE 17 5.876 -2.883 12.618 142 HD2 PHE 17 HD2 PHE 17 9.793 -4.480 11.847 143 HE1 PHE 17 HE1 PHE 17 6.730 -0.599 12.230 144 HE2 PHE 17 HE2 PHE 17 10.635 -2.196 11.419 145 HZ PHE 17 HZ PHE 17 9.108 -0.249 11.626 146 H SER 18 HN SER 18 4.671 -5.765 13.927 147 HA SER 18 HA SER 18 3.823 -3.255 14.667 148 HB2 SER 18 HB1 SER 18 2.382 -4.818 13.429 149 HB3 SER 18 HB2 SER 18 2.414 -5.953 14.812 150 HG SER 18 HG1 SER 18 1.157 -3.404 14.731 151 H LEU 19 HN LEU 19 4.279 -6.036 16.949 152 HA LEU 19 HA LEU 19 2.822 -4.814 18.982 153 HB2 LEU 19 HB1 LEU 19 3.524 -6.528 20.455 154 HB3 LEU 19 HB2 LEU 19 3.242 -7.207 18.830 155 HG LEU 19 HG LEU 19 5.949 -6.769 18.664 156 HD11 LEU 19 HD11 LEU 19 5.385 -7.580 21.601 157 HD12 LEU 19 HD12 LEU 19 6.018 -5.978 21.109 158 HD13 LEU 19 HD13 LEU 19 7.003 -7.471 20.823 159 HD21 LEU 19 HD21 LEU 19 6.190 -9.208 19.124 160 HD22 LEU 19 HD22 LEU 19 4.695 -8.890 18.164 161 HD23 LEU 19 HD23 LEU 19 4.579 -9.230 19.929 162 H VAL 20 HN VAL 20 6.283 -4.251 18.277 163 HA VAL 20 HA VAL 20 6.266 -2.306 20.529 164 HB VAL 20 HB VAL 20 8.698 -3.011 18.839 165 HG11 VAL 20 HG11 VAL 20 8.876 -0.997 20.370 166 HG12 VAL 20 HG12 VAL 20 8.291 -2.000 21.748 167 HG13 VAL 20 HG13 VAL 20 9.880 -2.350 20.984 168 HG21 VAL 20 HG21 VAL 20 7.647 -4.491 21.331 169 HG22 VAL 20 HG22 VAL 20 7.921 -5.203 19.688 170 HG23 VAL 20 HG23 VAL 20 9.318 -4.636 20.688 171 H THR 21 HN THR 21 5.291 -2.448 17.470 172 HA THR 21 HA THR 21 5.588 -1.568 15.500 173 HB THR 21 HB THR 21 3.818 -0.321 16.466 174 HG1 THR 21 HG1 THR 21 3.885 1.285 14.834 175 HG21 THR 21 HG21 THR 21 5.793 2.043 16.686 176 HG22 THR 21 HG22 THR 21 5.148 1.104 18.103 177 HG23 THR 21 HG23 THR 21 4.034 2.042 17.050 178 H LYS 22 HN LYS 22 7.797 -2.371 15.746 179 HA LYS 22 HA LYS 22 9.891 -1.024 14.597 180 HB2 LYS 22 HB1 LYS 22 9.543 -0.378 17.539 181 HB3 LYS 22 HB2 LYS 22 11.197 -0.820 17.083 182 HG2 LYS 22 HG1 LYS 22 11.568 0.956 15.664 183 HG3 LYS 22 HG2 LYS 22 9.862 1.427 15.504 184 HD2 LYS 22 HD1 LYS 22 11.120 1.409 18.300 185 HD3 LYS 22 HD2 LYS 22 11.611 2.690 17.162 186 HE2 LYS 22 HE1 LYS 22 9.743 3.403 18.711 187 HE3 LYS 22 HE2 LYS 22 9.373 3.581 16.951 188 HZ1 LYS 22 HZ1 LYS 22 7.527 2.620 18.215 189 HZ2 LYS 22 HZ2 LYS 22 8.448 1.260 18.609 190 HZ3 LYS 22 HZ3 LYS 22 8.109 1.590 17.015 191 H LYS 23 HN LYS 23 10.719 -3.036 13.883 192 HA LYS 23 HA LYS 23 12.436 -4.213 15.783 193 HB2 LYS 23 HB1 LYS 23 10.360 -6.076 14.460 194 HB3 LYS 23 HB2 LYS 23 11.950 -6.644 15.048 195 HG2 LYS 23 HG1 LYS 23 11.310 -5.612 17.340 196 HG3 LYS 23 HG2 LYS 23 9.628 -5.620 16.715 197 HD2 LYS 23 HD1 LYS 23 9.859 -8.093 16.224 198 HD3 LYS 23 HD2 LYS 23 11.490 -8.086 16.949 199 HE2 LYS 23 HE1 LYS 23 8.813 -7.449 18.395 200 HE3 LYS 23 HE2 LYS 23 9.790 -8.960 18.568 201 HZ1 LYS 23 HZ1 LYS 23 10.665 -6.204 19.266 202 HZ2 LYS 23 HZ2 LYS 23 11.594 -7.610 19.449 203 HZ3 LYS 23 HZ3 LYS 23 10.183 -7.402 20.369 204 H SER 24 HN SER 24 14.009 -5.744 14.534 205 HA SER 24 HA SER 24 13.902 -5.690 11.717 206 HB2 SER 24 HB1 SER 24 14.899 -3.402 11.996 207 HB3 SER 24 HB2 SER 24 16.183 -4.094 13.052 208 HG SER 24 HG1 SER 24 16.761 -3.847 10.772 Start of MODEL 16 1 H1 PHE 1 HN PHE 1 1.070 -0.979 -2.720 2 HA PHE 1 HA PHE 1 2.275 -0.255 -4.681 3 HB2 PHE 1 HB1 PHE 1 2.921 1.449 -2.175 4 HB3 PHE 1 HB2 PHE 1 3.020 2.040 -3.880 5 HD1 PHE 1 HD1 PHE 1 0.899 1.862 -5.325 6 HD2 PHE 1 HD2 PHE 1 0.853 1.577 -1.039 7 HE1 PHE 1 HE1 PHE 1 -1.515 2.406 -5.317 8 HE2 PHE 1 HE2 PHE 1 -1.567 2.125 -1.030 9 HZ PHE 1 HZ PHE 1 -2.752 2.536 -3.172 10 H LEU 2 HN LEU 2 4.182 -1.194 -1.944 11 HA LEU 2 HA LEU 2 6.679 -0.999 -3.551 12 HB2 LEU 2 HB1 LEU 2 6.337 -1.000 -0.513 13 HB3 LEU 2 HB2 LEU 2 7.894 -0.881 -1.400 14 HG LEU 2 HG LEU 2 5.615 1.181 -1.550 15 HD11 LEU 2 HD11 LEU 2 8.281 1.308 -0.010 16 HD12 LEU 2 HD12 LEU 2 6.645 1.084 0.724 17 HD13 LEU 2 HD13 LEU 2 7.051 2.616 -0.138 18 HD21 LEU 2 HD21 LEU 2 8.511 1.278 -2.620 19 HD22 LEU 2 HD22 LEU 2 7.351 2.655 -2.603 20 HD23 LEU 2 HD23 LEU 2 7.003 1.213 -3.613 21 HA PRO 3 HA PRO 3 5.054 -5.186 -2.692 22 HB2 PRO 3 HB1 PRO 3 5.600 -6.567 -5.087 23 HB3 PRO 3 HB2 PRO 3 4.244 -5.397 -4.885 24 HG2 PRO 3 HG1 PRO 3 7.042 -4.797 -6.010 25 HG3 PRO 3 HG2 PRO 3 5.434 -4.418 -6.752 26 HD2 PRO 3 HD1 PRO 3 6.747 -2.502 -5.297 27 HD3 PRO 3 HD2 PRO 3 4.957 -2.746 -5.084 28 H ILE 4 HN ILE 4 8.389 -4.867 -4.019 29 HA ILE 4 HA ILE 4 9.160 -7.444 -3.196 30 HB ILE 4 HB ILE 4 10.333 -6.270 -4.905 31 HG12 ILE 4 HG11 ILE 4 12.213 -6.812 -2.529 32 HG13 ILE 4 HG12 ILE 4 11.425 -8.080 -3.521 33 HG21 ILE 4 HG21 ILE 4 11.460 -4.357 -2.755 34 HG22 ILE 4 HG22 ILE 4 11.808 -4.360 -4.510 35 HG23 ILE 4 HG23 ILE 4 10.170 -3.914 -3.947 36 HD11 ILE 4 HD1 ILE 4 13.412 -5.948 -4.563 37 HD12 ILE 4 HD2 ILE 4 13.731 -7.701 -4.334 38 HD13 ILE 4 HD3 ILE 4 12.562 -7.160 -5.589 39 H LEU 5 HN LEU 5 9.618 -4.320 -1.423 40 HA LEU 5 HA LEU 5 10.721 -5.673 0.828 41 HB2 LEU 5 HB1 LEU 5 10.705 -3.537 1.989 42 HB3 LEU 5 HB2 LEU 5 11.409 -3.448 0.357 43 HG LEU 5 HG LEU 5 8.949 -2.626 -0.341 44 HD11 LEU 5 HD11 LEU 5 7.983 -1.120 1.414 45 HD12 LEU 5 HD12 LEU 5 9.170 -1.741 2.615 46 HD13 LEU 5 HD13 LEU 5 7.903 -2.837 1.947 47 HD21 LEU 5 HD21 LEU 5 11.048 -0.867 1.078 48 HD22 LEU 5 HD22 LEU 5 9.788 -0.292 -0.073 49 HD23 LEU 5 HD23 LEU 5 11.094 -1.389 -0.648 50 H ALA 6 HN ALA 6 7.387 -4.702 -0.020 51 HA ALA 6 HA ALA 6 6.211 -5.403 2.415 52 HB1 ALA 6 HB1 ALA 6 5.088 -5.601 -0.445 53 HB2 ALA 6 HB2 ALA 6 4.107 -5.572 1.070 54 HB3 ALA 6 HB3 ALA 6 5.067 -4.127 0.584 55 H SER 7 HN SER 7 6.956 -7.454 -0.444 56 HA SER 7 HA SER 7 5.933 -9.855 0.535 57 HB2 SER 7 HB1 SER 7 6.661 -9.519 -1.819 58 HB3 SER 7 HB2 SER 7 8.368 -9.430 -1.295 59 HG SER 7 HG1 SER 7 7.424 -11.498 -2.119 60 H LEU 8 HN LEU 8 9.256 -8.467 1.083 61 HA LEU 8 HA LEU 8 10.061 -10.659 2.742 62 HB2 LEU 8 HB1 LEU 8 11.058 -7.816 2.303 63 HB3 LEU 8 HB2 LEU 8 11.662 -8.774 3.686 64 HG LEU 8 HG LEU 8 12.397 -10.594 2.156 65 HD11 LEU 8 HD11 LEU 8 11.004 -10.120 0.102 66 HD12 LEU 8 HD12 LEU 8 12.769 -10.108 -0.261 67 HD13 LEU 8 HD13 LEU 8 11.882 -8.557 -0.102 68 HD21 LEU 8 HD21 LEU 8 13.949 -8.858 3.059 69 HD22 LEU 8 HD22 LEU 8 13.605 -7.806 1.636 70 HD23 LEU 8 HD23 LEU 8 14.442 -9.384 1.407 71 H ALA 9 HN ALA 9 8.655 -7.426 3.588 72 HA ALA 9 HA ALA 9 8.790 -7.786 6.329 73 HB1 ALA 9 HB1 ALA 9 6.828 -6.101 4.659 74 HB2 ALA 9 HB2 ALA 9 7.205 -5.844 6.409 75 HB3 ALA 9 HB3 ALA 9 8.478 -5.596 5.158 76 H ALA 10 HN ALA 10 6.003 -8.538 4.162 77 HA ALA 10 HA ALA 10 4.268 -9.380 6.201 78 HB1 ALA 10 HB1 ALA 10 2.999 -10.443 4.312 79 HB2 ALA 10 HB2 ALA 10 3.539 -8.778 3.890 80 HB3 ALA 10 HB3 ALA 10 4.427 -10.193 3.235 81 H LYS 11 HN LYS 11 6.638 -11.168 4.257 82 HA LYS 11 HA LYS 11 5.949 -13.760 5.106 83 HB2 LYS 11 HB1 LYS 11 7.101 -13.036 3.033 84 HB3 LYS 11 HB2 LYS 11 8.579 -12.642 3.988 85 HG2 LYS 11 HG1 LYS 11 8.737 -15.096 4.607 86 HG3 LYS 11 HG2 LYS 11 7.283 -15.427 3.625 87 HD2 LYS 11 HD1 LYS 11 10.031 -14.414 2.615 88 HD3 LYS 11 HD2 LYS 11 9.322 -16.036 2.428 89 HE2 LYS 11 HE1 LYS 11 8.953 -15.159 0.296 90 HE3 LYS 11 HE2 LYS 11 7.363 -14.843 1.091 91 HZ1 LYS 11 HZ1 LYS 11 8.195 -12.557 1.541 92 HZ2 LYS 11 HZ2 LYS 11 8.111 -12.871 -0.084 93 HZ3 LYS 11 HZ3 LYS 11 9.608 -12.905 0.694 94 H PHE 12 HN PHE 12 8.352 -11.433 6.423 95 HA PHE 12 HA PHE 12 9.265 -13.452 8.319 96 HB2 PHE 12 HB1 PHE 12 10.140 -10.541 7.878 97 HB3 PHE 12 HB2 PHE 12 10.985 -11.747 8.927 98 HD1 PHE 12 HD1 PHE 12 11.900 -10.086 6.417 99 HD2 PHE 12 HD2 PHE 12 10.781 -14.200 6.998 100 HE1 PHE 12 HE1 PHE 12 13.346 -10.755 4.525 101 HE2 PHE 12 HE2 PHE 12 12.196 -14.853 5.101 102 HZ PHE 12 HZ PHE 12 13.487 -13.139 3.852 103 H GLY 13 HN GLY 13 6.565 -11.684 8.399 104 HA2 GLY 13 HA1 GLY 13 5.168 -11.978 10.226 105 HA3 GLY 13 HA2 GLY 13 6.578 -12.000 11.313 106 HA PRO 14 HA PRO 14 5.912 -7.485 10.510 107 HB2 PRO 14 HB1 PRO 14 3.527 -6.449 9.481 108 HB3 PRO 14 HB2 PRO 14 4.803 -7.186 8.440 109 HG2 PRO 14 HG1 PRO 14 2.317 -8.606 9.559 110 HG3 PRO 14 HG2 PRO 14 2.875 -8.525 7.836 111 HD2 PRO 14 HD1 PRO 14 3.544 -10.681 9.403 112 HD3 PRO 14 HD2 PRO 14 4.790 -9.940 8.305 113 H LYS 15 HN LYS 15 3.233 -9.285 11.848 114 HA LYS 15 HA LYS 15 2.377 -7.318 13.720 115 HB2 LYS 15 HB1 LYS 15 2.138 -10.376 13.720 116 HB3 LYS 15 HB2 LYS 15 1.393 -9.335 14.971 117 HG2 LYS 15 HG1 LYS 15 0.749 -9.167 11.960 118 HG3 LYS 15 HG2 LYS 15 -0.213 -10.040 13.195 119 HD2 LYS 15 HD1 LYS 15 -0.538 -7.894 14.462 120 HD3 LYS 15 HD2 LYS 15 0.359 -7.008 13.185 121 HE2 LYS 15 HE1 LYS 15 -1.384 -7.663 11.485 122 HE3 LYS 15 HE2 LYS 15 -2.310 -8.527 12.779 123 HZ1 LYS 15 HZ1 LYS 15 -3.116 -6.272 12.386 124 HZ2 LYS 15 HZ2 LYS 15 -1.599 -5.631 12.793 125 HZ3 LYS 15 HZ3 LYS 15 -2.514 -6.445 13.961 126 H LEU 16 HN LEU 16 4.967 -9.746 13.840 127 HA LEU 16 HA LEU 16 5.614 -9.447 16.559 128 HB2 LEU 16 HB1 LEU 16 7.271 -10.324 14.118 129 HB3 LEU 16 HB2 LEU 16 7.899 -10.315 15.790 130 HG LEU 16 HG LEU 16 6.104 -11.921 16.485 131 HD11 LEU 16 HD11 LEU 16 5.081 -13.367 14.680 132 HD12 LEU 16 HD12 LEU 16 5.601 -12.165 13.447 133 HD13 LEU 16 HD13 LEU 16 4.383 -11.715 14.716 134 HD21 LEU 16 HD21 LEU 16 7.283 -13.883 15.490 135 HD22 LEU 16 HD22 LEU 16 8.450 -12.602 15.977 136 HD23 LEU 16 HD23 LEU 16 8.019 -12.818 14.239 137 H PHE 17 HN PHE 17 6.567 -7.624 13.629 138 HA PHE 17 HA PHE 17 8.233 -5.795 15.097 139 HB2 PHE 17 HB1 PHE 17 8.242 -6.272 12.524 140 HB3 PHE 17 HB2 PHE 17 6.791 -5.224 12.427 141 HD1 PHE 17 HD1 PHE 17 7.031 -2.784 13.355 142 HD2 PHE 17 HD2 PHE 17 10.380 -5.357 12.555 143 HE1 PHE 17 HE1 PHE 17 8.529 -0.826 13.328 144 HE2 PHE 17 HE2 PHE 17 11.880 -3.386 12.514 145 HZ PHE 17 HZ PHE 17 10.952 -1.116 12.906 146 H SER 18 HN SER 18 4.813 -5.589 13.925 147 HA SER 18 HA SER 18 4.532 -2.968 14.609 148 HB2 SER 18 HB1 SER 18 2.210 -3.038 14.147 149 HB3 SER 18 HB2 SER 18 3.022 -4.169 13.020 150 HG SER 18 HG1 SER 18 1.679 -4.891 15.432 151 H LEU 19 HN LEU 19 3.872 -5.694 16.799 152 HA LEU 19 HA LEU 19 2.217 -4.358 18.542 153 HB2 LEU 19 HB1 LEU 19 2.633 -6.152 20.143 154 HB3 LEU 19 HB2 LEU 19 2.437 -6.754 18.478 155 HG LEU 19 HG LEU 19 5.134 -6.680 18.468 156 HD11 LEU 19 HD11 LEU 19 6.049 -7.426 20.678 157 HD12 LEU 19 HD12 LEU 19 4.429 -7.235 21.431 158 HD13 LEU 19 HD13 LEU 19 5.319 -5.784 20.869 159 HD21 LEU 19 HD21 LEU 19 3.679 -8.672 18.046 160 HD22 LEU 19 HD22 LEU 19 3.447 -8.878 19.821 161 HD23 LEU 19 HD23 LEU 19 5.083 -9.093 19.100 162 H VAL 20 HN VAL 20 5.786 -4.255 18.645 163 HA VAL 20 HA VAL 20 5.494 -2.161 20.749 164 HB VAL 20 HB VAL 20 6.751 -4.209 21.368 165 HG11 VAL 20 HG11 VAL 20 7.792 -4.691 19.104 166 HG12 VAL 20 HG12 VAL 20 8.846 -3.233 19.311 167 HG13 VAL 20 HG13 VAL 20 8.999 -4.616 20.444 168 HG21 VAL 20 HG21 VAL 20 7.124 -2.003 22.490 169 HG22 VAL 20 HG22 VAL 20 8.589 -3.041 22.475 170 HG23 VAL 20 HG23 VAL 20 8.476 -1.651 21.340 171 H THR 21 HN THR 21 5.812 -2.560 17.517 172 HA THR 21 HA THR 21 6.762 -1.758 15.791 173 HB THR 21 HB THR 21 5.111 -0.091 16.263 174 HG1 THR 21 HG1 THR 21 5.973 1.302 14.651 175 HG21 THR 21 HG21 THR 21 5.817 2.248 16.709 176 HG22 THR 21 HG22 THR 21 7.517 1.722 16.968 177 HG23 THR 21 HG23 THR 21 6.209 1.195 18.111 178 H LYS 22 HN LYS 22 8.641 -2.978 17.027 179 HA LYS 22 HA LYS 22 10.929 -1.843 15.784 180 HB2 LYS 22 HB1 LYS 22 11.245 -2.480 18.804 181 HB3 LYS 22 HB2 LYS 22 12.565 -2.138 17.646 182 HG2 LYS 22 HG1 LYS 22 12.514 -0.109 18.656 183 HG3 LYS 22 HG2 LYS 22 11.330 0.195 17.351 184 HD2 LYS 22 HD1 LYS 22 9.600 -0.744 19.154 185 HD3 LYS 22 HD2 LYS 22 10.869 -0.344 20.350 186 HE2 LYS 22 HE1 LYS 22 10.768 2.074 19.683 187 HE3 LYS 22 HE2 LYS 22 9.678 1.659 18.296 188 HZ1 LYS 22 HZ1 LYS 22 8.346 2.443 20.084 189 HZ2 LYS 22 HZ2 LYS 22 9.047 1.357 21.194 190 HZ3 LYS 22 HZ3 LYS 22 8.109 0.774 19.919 191 H LYS 23 HN LYS 23 12.593 -3.489 15.461 192 HA LYS 23 HA LYS 23 12.614 -5.887 16.945 193 HB2 LYS 23 HB1 LYS 23 12.192 -5.977 13.893 194 HB3 LYS 23 HB2 LYS 23 12.931 -7.342 14.766 195 HG2 LYS 23 HG1 LYS 23 10.082 -6.373 15.342 196 HG3 LYS 23 HG2 LYS 23 10.512 -7.539 14.070 197 HD2 LYS 23 HD1 LYS 23 9.823 -8.927 15.787 198 HD3 LYS 23 HD2 LYS 23 11.596 -9.052 15.786 199 HE2 LYS 23 HE1 LYS 23 10.615 -9.044 18.090 200 HE3 LYS 23 HE2 LYS 23 11.717 -7.635 17.860 201 HZ1 LYS 23 HZ1 LYS 23 9.541 -7.142 18.947 202 HZ2 LYS 23 HZ2 LYS 23 8.763 -7.477 17.477 203 HZ3 LYS 23 HZ3 LYS 23 9.863 -6.223 17.559 204 H SER 24 HN SER 24 14.741 -7.107 16.115 205 HA SER 24 HA SER 24 16.490 -5.602 14.502 206 HB2 SER 24 HB1 SER 24 16.914 -4.333 16.633 207 HB3 SER 24 HB2 SER 24 17.238 -5.884 17.485 208 HG SER 24 HG1 SER 24 19.146 -4.776 16.704 Start of MODEL 17 1 H1 PHE 1 HN PHE 1 3.551 2.546 -1.716 2 HA PHE 1 HA PHE 1 3.697 0.964 0.237 3 HB2 PHE 1 HB1 PHE 1 2.930 -0.203 -2.531 4 HB3 PHE 1 HB2 PHE 1 2.434 -0.908 -0.943 5 HD1 PHE 1 HD1 PHE 1 1.191 0.686 0.697 6 HD2 PHE 1 HD2 PHE 1 1.526 1.397 -3.527 7 HE1 PHE 1 HE1 PHE 1 -0.780 2.184 0.792 8 HE2 PHE 1 HE2 PHE 1 -0.443 2.892 -3.433 9 HZ PHE 1 HZ PHE 1 -1.598 3.289 -1.275 10 H LEU 2 HN LEU 2 5.947 0.774 -2.248 11 HA LEU 2 HA LEU 2 7.680 -0.542 -2.814 12 HB2 LEU 2 HB1 LEU 2 7.879 -0.926 0.197 13 HB3 LEU 2 HB2 LEU 2 9.210 -1.182 -0.978 14 HG LEU 2 HG LEU 2 7.811 1.505 -0.446 15 HD11 LEU 2 HD11 LEU 2 9.915 2.127 0.726 16 HD12 LEU 2 HD12 LEU 2 10.571 0.469 0.458 17 HD13 LEU 2 HD13 LEU 2 9.127 0.708 1.514 18 HD21 LEU 2 HD21 LEU 2 9.748 2.481 -1.720 19 HD22 LEU 2 HD22 LEU 2 8.744 1.419 -2.764 20 HD23 LEU 2 HD23 LEU 2 10.322 0.822 -2.117 21 HA PRO 3 HA PRO 3 4.866 -4.014 -1.881 22 HB2 PRO 3 HB1 PRO 3 4.208 -5.049 -4.433 23 HB3 PRO 3 HB2 PRO 3 3.458 -3.587 -3.692 24 HG2 PRO 3 HG1 PRO 3 5.843 -3.671 -5.625 25 HG3 PRO 3 HG2 PRO 3 4.342 -2.666 -5.750 26 HD2 PRO 3 HD1 PRO 3 6.628 -1.604 -4.670 27 HD3 PRO 3 HD2 PRO 3 5.019 -1.286 -3.872 28 H ILE 4 HN ILE 4 7.600 -4.654 -4.139 29 HA ILE 4 HA ILE 4 7.529 -7.436 -3.715 30 HB ILE 4 HB ILE 4 8.570 -6.476 -5.635 31 HG12 ILE 4 HG11 ILE 4 10.650 -8.006 -3.962 32 HG13 ILE 4 HG12 ILE 4 9.218 -8.748 -4.744 33 HG21 ILE 4 HG21 ILE 4 9.557 -4.393 -4.541 34 HG22 ILE 4 HG22 ILE 4 10.846 -5.441 -3.818 35 HG23 ILE 4 HG23 ILE 4 10.702 -5.279 -5.595 36 HD11 ILE 4 HD1 ILE 4 11.205 -9.059 -6.184 37 HD12 ILE 4 HD2 ILE 4 10.047 -7.952 -7.001 38 HD13 ILE 4 HD3 ILE 4 11.523 -7.291 -6.209 39 H LEU 5 HN LEU 5 9.536 -4.968 -1.987 40 HA LEU 5 HA LEU 5 10.600 -6.967 -0.244 41 HB2 LEU 5 HB1 LEU 5 11.725 -5.197 0.962 42 HB3 LEU 5 HB2 LEU 5 11.938 -5.066 -0.801 43 HG LEU 5 HG LEU 5 9.892 -3.335 -0.615 44 HD11 LEU 5 HD11 LEU 5 9.535 -3.581 1.878 45 HD12 LEU 5 HD12 LEU 5 10.090 -1.927 1.443 46 HD13 LEU 5 HD13 LEU 5 11.252 -3.105 2.155 47 HD21 LEU 5 HD21 LEU 5 12.160 -2.865 -1.527 48 HD22 LEU 5 HD22 LEU 5 12.806 -2.680 0.146 49 HD23 LEU 5 HD23 LEU 5 11.587 -1.513 -0.484 50 H ALA 6 HN ALA 6 7.839 -4.702 -0.012 51 HA ALA 6 HA ALA 6 7.197 -5.251 2.644 52 HB1 ALA 6 HB1 ALA 6 4.948 -4.334 2.022 53 HB2 ALA 6 HB2 ALA 6 6.267 -3.351 1.294 54 HB3 ALA 6 HB3 ALA 6 5.367 -4.520 0.276 55 H SER 7 HN SER 7 6.028 -6.921 -0.353 56 HA SER 7 HA SER 7 4.449 -8.832 0.979 57 HB2 SER 7 HB1 SER 7 4.310 -8.323 -1.473 58 HB3 SER 7 HB2 SER 7 5.901 -9.115 -1.716 59 HG SER 7 HG1 SER 7 4.043 -10.487 -2.099 60 H LEU 8 HN LEU 8 7.902 -8.986 -0.072 61 HA LEU 8 HA LEU 8 8.365 -11.592 0.730 62 HB2 LEU 8 HB1 LEU 8 9.868 -10.158 -0.707 63 HB3 LEU 8 HB2 LEU 8 10.290 -9.197 0.731 64 HG LEU 8 HG LEU 8 11.266 -11.322 1.777 65 HD11 LEU 8 HD11 LEU 8 10.922 -12.428 -1.089 66 HD12 LEU 8 HD12 LEU 8 10.024 -13.031 0.349 67 HD13 LEU 8 HD13 LEU 8 11.822 -13.224 0.245 68 HD21 LEU 8 HD21 LEU 8 12.456 -10.396 -0.909 69 HD22 LEU 8 HD22 LEU 8 13.350 -11.240 0.406 70 HD23 LEU 8 HD23 LEU 8 12.681 -9.590 0.685 71 H ALA 9 HN ALA 9 8.792 -8.560 2.622 72 HA ALA 9 HA ALA 9 9.552 -9.753 5.038 73 HB1 ALA 9 HB1 ALA 9 9.898 -7.345 4.464 74 HB2 ALA 9 HB2 ALA 9 8.125 -7.088 4.455 75 HB3 ALA 9 HB3 ALA 9 8.970 -7.505 5.998 76 H ALA 10 HN ALA 10 6.249 -8.753 3.891 77 HA ALA 10 HA ALA 10 4.853 -9.268 6.198 78 HB1 ALA 10 HB1 ALA 10 3.951 -8.012 4.258 79 HB2 ALA 10 HB2 ALA 10 3.937 -9.511 3.275 80 HB3 ALA 10 HB3 ALA 10 2.836 -9.352 4.698 81 H LYS 11 HN LYS 11 5.519 -11.436 3.499 82 HA LYS 11 HA LYS 11 4.313 -13.793 4.321 83 HB2 LYS 11 HB1 LYS 11 5.195 -13.293 2.061 84 HB3 LYS 11 HB2 LYS 11 6.823 -13.094 2.715 85 HG2 LYS 11 HG1 LYS 11 6.544 -15.741 3.379 86 HG3 LYS 11 HG2 LYS 11 5.205 -15.628 2.212 87 HD2 LYS 11 HD1 LYS 11 6.883 -16.215 0.749 88 HD3 LYS 11 HD2 LYS 11 7.047 -14.446 0.646 89 HE2 LYS 11 HE1 LYS 11 8.790 -16.473 2.209 90 HE3 LYS 11 HE2 LYS 11 9.295 -15.423 0.829 91 HZ1 LYS 11 HZ1 LYS 11 8.511 -14.529 3.559 92 HZ2 LYS 11 HZ2 LYS 11 8.947 -13.482 2.330 93 HZ3 LYS 11 HZ3 LYS 11 10.077 -14.566 2.954 94 H PHE 12 HN PHE 12 7.684 -12.597 5.109 95 HA PHE 12 HA PHE 12 8.267 -14.962 6.669 96 HB2 PHE 12 HB1 PHE 12 9.585 -12.169 6.549 97 HB3 PHE 12 HB2 PHE 12 10.180 -13.492 7.612 98 HD1 PHE 12 HD1 PHE 12 11.088 -11.916 4.790 99 HD2 PHE 12 HD2 PHE 12 10.230 -15.903 6.148 100 HE1 PHE 12 HE1 PHE 12 12.600 -12.834 3.061 101 HE2 PHE 12 HE2 PHE 12 11.722 -16.816 4.406 102 HZ PHE 12 HZ PHE 12 12.911 -15.285 2.858 103 H GLY 13 HN GLY 13 7.228 -11.646 7.477 104 HA2 GLY 13 HA1 GLY 13 5.345 -11.659 9.017 105 HA3 GLY 13 HA2 GLY 13 6.305 -12.734 10.080 106 HA PRO 14 HA PRO 14 7.798 -8.520 11.171 107 HB2 PRO 14 HB1 PRO 14 6.507 -6.239 10.338 108 HB3 PRO 14 HB2 PRO 14 7.575 -7.134 9.192 109 HG2 PRO 14 HG1 PRO 14 4.521 -7.410 9.472 110 HG3 PRO 14 HG2 PRO 14 5.463 -7.039 7.968 111 HD2 PRO 14 HD1 PRO 14 4.741 -9.631 8.592 112 HD3 PRO 14 HD2 PRO 14 6.378 -9.243 7.878 113 H LYS 15 HN LYS 15 5.077 -10.133 11.621 114 HA LYS 15 HA LYS 15 3.270 -8.505 12.970 115 HB2 LYS 15 HB1 LYS 15 3.850 -11.514 13.357 116 HB3 LYS 15 HB2 LYS 15 2.431 -10.635 13.990 117 HG2 LYS 15 HG1 LYS 15 1.536 -11.688 12.186 118 HG3 LYS 15 HG2 LYS 15 1.818 -10.048 11.539 119 HD2 LYS 15 HD1 LYS 15 3.761 -10.857 10.258 120 HD3 LYS 15 HD2 LYS 15 3.724 -12.446 11.120 121 HE2 LYS 15 HE1 LYS 15 1.488 -12.947 10.047 122 HE3 LYS 15 HE2 LYS 15 1.595 -11.405 9.115 123 HZ1 LYS 15 HZ1 LYS 15 3.449 -12.276 7.882 124 HZ2 LYS 15 HZ2 LYS 15 2.290 -13.472 7.933 125 HZ3 LYS 15 HZ3 LYS 15 3.641 -13.588 8.929 126 H LEU 16 HN LEU 16 6.044 -10.380 14.314 127 HA LEU 16 HA LEU 16 5.731 -9.567 16.990 128 HB2 LEU 16 HB1 LEU 16 8.217 -10.434 15.392 129 HB3 LEU 16 HB2 LEU 16 8.197 -10.121 17.153 130 HG LEU 16 HG LEU 16 6.429 -11.917 17.417 131 HD11 LEU 16 HD11 LEU 16 6.452 -13.756 15.674 132 HD12 LEU 16 HD12 LEU 16 7.278 -12.639 14.532 133 HD13 LEU 16 HD13 LEU 16 5.595 -12.284 15.117 134 HD21 LEU 16 HD21 LEU 16 8.826 -12.193 18.023 135 HD22 LEU 16 HD22 LEU 16 9.204 -12.723 16.341 136 HD23 LEU 16 HD23 LEU 16 8.136 -13.728 17.389 137 H PHE 17 HN PHE 17 7.480 -8.106 14.241 138 HA PHE 17 HA PHE 17 8.819 -6.114 15.701 139 HB2 PHE 17 HB1 PHE 17 9.369 -7.064 13.363 140 HB3 PHE 17 HB2 PHE 17 8.036 -6.044 12.718 141 HD1 PHE 17 HD1 PHE 17 11.120 -5.815 14.905 142 HD2 PHE 17 HD2 PHE 17 8.658 -3.932 11.928 143 HE1 PHE 17 HE1 PHE 17 12.784 -3.991 14.679 144 HE2 PHE 17 HE2 PHE 17 10.336 -2.123 11.687 145 HZ PHE 17 HZ PHE 17 12.404 -2.160 13.063 146 H SER 18 HN SER 18 5.644 -6.064 13.991 147 HA SER 18 HA SER 18 5.059 -3.377 14.597 148 HB2 SER 18 HB1 SER 18 2.627 -4.014 14.158 149 HB3 SER 18 HB2 SER 18 3.796 -4.319 12.838 150 HG SER 18 HG1 SER 18 2.867 -6.307 14.660 151 H LEU 19 HN LEU 19 4.296 -6.380 16.551 152 HA LEU 19 HA LEU 19 2.773 -4.768 18.358 153 HB2 LEU 19 HB1 LEU 19 2.459 -6.724 19.725 154 HB3 LEU 19 HB2 LEU 19 2.155 -7.050 18.000 155 HG LEU 19 HG LEU 19 4.617 -7.987 17.963 156 HD11 LEU 19 HD11 LEU 19 5.253 -9.144 20.112 157 HD12 LEU 19 HD12 LEU 19 3.933 -8.268 20.967 158 HD13 LEU 19 HD13 LEU 19 5.333 -7.358 20.290 159 HD21 LEU 19 HD21 LEU 19 2.296 -9.471 19.345 160 HD22 LEU 19 HD22 LEU 19 3.724 -10.243 18.565 161 HD23 LEU 19 HD23 LEU 19 2.550 -9.305 17.565 162 H VAL 20 HN VAL 20 6.209 -5.553 18.246 163 HA VAL 20 HA VAL 20 6.573 -4.296 20.866 164 HB VAL 20 HB VAL 20 7.832 -6.331 20.017 165 HG11 VAL 20 HG11 VAL 20 8.329 -5.426 17.719 166 HG12 VAL 20 HG12 VAL 20 9.444 -4.208 18.434 167 HG13 VAL 20 HG13 VAL 20 9.803 -5.973 18.589 168 HG21 VAL 20 HG21 VAL 20 9.465 -3.930 21.079 169 HG22 VAL 20 HG22 VAL 20 8.458 -5.059 22.059 170 HG23 VAL 20 HG23 VAL 20 9.911 -5.675 21.194 171 H THR 21 HN THR 21 5.675 -3.097 18.089 172 HA THR 21 HA THR 21 5.991 -1.399 16.766 173 HB THR 21 HB THR 21 4.605 -0.572 18.494 174 HG1 THR 21 HG1 THR 21 4.724 1.495 17.916 175 HG21 THR 21 HG21 THR 21 6.207 -0.528 20.411 176 HG22 THR 21 HG22 THR 21 5.425 1.069 20.177 177 HG23 THR 21 HG23 THR 21 7.126 0.813 19.642 178 H LYS 22 HN LYS 22 8.150 -2.538 16.365 179 HA LYS 22 HA LYS 22 10.015 -2.276 15.261 180 HB2 LYS 22 HB1 LYS 22 10.161 0.683 15.941 181 HB3 LYS 22 HB2 LYS 22 10.997 -0.148 14.605 182 HG2 LYS 22 HG1 LYS 22 8.995 -0.404 13.316 183 HG3 LYS 22 HG2 LYS 22 7.912 -0.072 14.684 184 HD2 LYS 22 HD1 LYS 22 9.704 1.959 13.238 185 HD3 LYS 22 HD2 LYS 22 7.925 1.832 13.159 186 HE2 LYS 22 HE1 LYS 22 9.654 2.794 15.536 187 HE3 LYS 22 HE2 LYS 22 8.461 3.735 14.567 188 HZ1 LYS 22 HZ1 LYS 22 7.461 3.157 16.628 189 HZ2 LYS 22 HZ2 LYS 22 7.936 1.563 16.528 190 HZ3 LYS 22 HZ3 LYS 22 6.739 2.119 15.499 191 H LYS 23 HN LYS 23 9.857 -1.456 18.600 192 HA LYS 23 HA LYS 23 12.502 -0.682 19.046 193 HB2 LYS 23 HB1 LYS 23 10.680 -0.110 20.528 194 HB3 LYS 23 HB2 LYS 23 10.341 -1.818 20.902 195 HG2 LYS 23 HG1 LYS 23 13.122 -0.750 21.522 196 HG3 LYS 23 HG2 LYS 23 11.771 -0.174 22.544 197 HD2 LYS 23 HD1 LYS 23 11.225 -2.342 23.358 198 HD3 LYS 23 HD2 LYS 23 12.063 -3.154 22.006 199 HE2 LYS 23 HE1 LYS 23 14.299 -2.290 22.932 200 HE3 LYS 23 HE2 LYS 23 13.407 -1.770 24.422 201 HZ1 LYS 23 HZ1 LYS 23 13.444 -4.501 23.248 202 HZ2 LYS 23 HZ2 LYS 23 12.670 -4.068 24.687 203 HZ3 LYS 23 HZ3 LYS 23 14.368 -4.017 24.582 204 H SER 24 HN SER 24 11.104 -3.958 19.228 205 HA SER 24 HA SER 24 12.038 -5.970 19.374 206 HB2 SER 24 HB1 SER 24 12.951 -5.169 17.166 207 HB3 SER 24 HB2 SER 24 14.481 -4.742 18.002 208 HG SER 24 HG1 SER 24 14.582 -6.855 17.127 Start of MODEL 18 1 H1 PHE 1 HN PHE 1 7.462 -0.099 -6.159 2 HA PHE 1 HA PHE 1 8.843 -0.745 -4.206 3 HB2 PHE 1 HB1 PHE 1 7.175 1.851 -3.878 4 HB3 PHE 1 HB2 PHE 1 8.725 1.508 -3.017 5 HD1 PHE 1 HD1 PHE 1 7.238 2.831 -6.022 6 HD2 PHE 1 HD2 PHE 1 10.789 0.964 -4.473 7 HE1 PHE 1 HE1 PHE 1 8.527 3.667 -7.962 8 HE2 PHE 1 HE2 PHE 1 12.073 1.803 -6.417 9 HZ PHE 1 HZ PHE 1 10.943 3.153 -8.162 10 H LEU 2 HN LEU 2 5.532 0.287 -3.344 11 HA LEU 2 HA LEU 2 5.607 -0.643 -0.712 12 HB2 LEU 2 HB1 LEU 2 4.072 1.043 -1.648 13 HB3 LEU 2 HB2 LEU 2 3.152 -0.221 -2.504 14 HG LEU 2 HG LEU 2 3.554 -0.338 0.537 15 HD11 LEU 2 HD11 LEU 2 1.479 1.017 0.834 16 HD12 LEU 2 HD12 LEU 2 1.411 1.315 -0.941 17 HD13 LEU 2 HD13 LEU 2 2.778 1.975 0.033 18 HD21 LEU 2 HD21 LEU 2 1.254 -1.380 0.483 19 HD22 LEU 2 HD22 LEU 2 2.430 -2.337 -0.478 20 HD23 LEU 2 HD23 LEU 2 1.248 -1.257 -1.312 21 HA PRO 3 HA PRO 3 3.538 -4.688 -1.735 22 HB2 PRO 3 HB1 PRO 3 3.785 -5.933 -4.254 23 HB3 PRO 3 HB2 PRO 3 2.426 -4.847 -3.780 24 HG2 PRO 3 HG1 PRO 3 4.980 -4.070 -5.293 25 HG3 PRO 3 HG2 PRO 3 3.264 -3.698 -5.736 26 HD2 PRO 3 HD1 PRO 3 4.796 -1.863 -4.427 27 HD3 PRO 3 HD2 PRO 3 3.064 -2.105 -3.909 28 H ILE 4 HN ILE 4 6.698 -4.166 -3.411 29 HA ILE 4 HA ILE 4 7.623 -6.752 -2.660 30 HB ILE 4 HB ILE 4 8.604 -5.745 -4.552 31 HG12 ILE 4 HG11 ILE 4 11.016 -5.973 -4.061 32 HG13 ILE 4 HG12 ILE 4 10.703 -5.965 -2.306 33 HG21 ILE 4 HG21 ILE 4 8.422 -3.341 -3.977 34 HG22 ILE 4 HG22 ILE 4 9.685 -3.525 -2.695 35 HG23 ILE 4 HG23 ILE 4 10.103 -3.769 -4.423 36 HD11 ILE 4 HD1 ILE 4 9.421 -8.122 -2.509 37 HD12 ILE 4 HD2 ILE 4 9.611 -8.072 -4.307 38 HD13 ILE 4 HD3 ILE 4 11.050 -8.288 -3.250 39 H LEU 5 HN LEU 5 8.070 -3.524 -1.043 40 HA LEU 5 HA LEU 5 9.511 -4.698 1.083 41 HB2 LEU 5 HB1 LEU 5 9.366 -2.633 2.280 42 HB3 LEU 5 HB2 LEU 5 9.718 -2.354 0.555 43 HG LEU 5 HG LEU 5 7.089 -1.954 0.368 44 HD11 LEU 5 HD11 LEU 5 6.516 -2.460 2.790 45 HD12 LEU 5 HD12 LEU 5 6.183 -0.745 2.364 46 HD13 LEU 5 HD13 LEU 5 7.658 -1.165 3.307 47 HD21 LEU 5 HD21 LEU 5 9.057 0.096 1.568 48 HD22 LEU 5 HD22 LEU 5 7.523 0.480 0.698 49 HD23 LEU 5 HD23 LEU 5 8.878 -0.320 -0.179 50 H ALA 6 HN ALA 6 5.977 -4.177 0.693 51 HA ALA 6 HA ALA 6 5.248 -5.123 3.219 52 HB1 ALA 6 HB1 ALA 6 3.000 -5.473 2.166 53 HB2 ALA 6 HB2 ALA 6 3.719 -3.902 1.658 54 HB3 ALA 6 HB3 ALA 6 3.753 -5.301 0.533 55 H SER 7 HN SER 7 5.780 -6.929 0.168 56 HA SER 7 HA SER 7 5.081 -9.472 1.056 57 HB2 SER 7 HB1 SER 7 5.489 -8.847 -1.324 58 HB3 SER 7 HB2 SER 7 7.232 -8.637 -0.988 59 HG SER 7 HG1 SER 7 6.526 -10.650 -1.962 60 H LEU 8 HN LEU 8 8.313 -7.858 1.220 61 HA LEU 8 HA LEU 8 9.591 -9.986 2.597 62 HB2 LEU 8 HB1 LEU 8 10.143 -6.972 2.452 63 HB3 LEU 8 HB2 LEU 8 11.271 -8.155 3.189 64 HG LEU 8 HG LEU 8 10.363 -8.226 0.249 65 HD11 LEU 8 HD11 LEU 8 11.643 -6.155 0.729 66 HD12 LEU 8 HD12 LEU 8 12.603 -7.295 -0.280 67 HD13 LEU 8 HD13 LEU 8 12.967 -7.128 1.477 68 HD21 LEU 8 HD21 LEU 8 11.123 -10.464 1.082 69 HD22 LEU 8 HD22 LEU 8 12.634 -9.711 1.726 70 HD23 LEU 8 HD23 LEU 8 12.329 -9.747 -0.047 71 H ALA 9 HN ALA 9 8.021 -6.965 3.842 72 HA ALA 9 HA ALA 9 8.619 -7.383 6.508 73 HB1 ALA 9 HB1 ALA 9 6.207 -5.947 5.242 74 HB2 ALA 9 HB2 ALA 9 6.810 -5.694 6.928 75 HB3 ALA 9 HB3 ALA 9 7.828 -5.223 5.518 76 H ALA 10 HN ALA 10 5.714 -8.494 4.706 77 HA ALA 10 HA ALA 10 4.365 -9.643 6.854 78 HB1 ALA 10 HB1 ALA 10 3.365 -9.206 4.610 79 HB2 ALA 10 HB2 ALA 10 4.439 -10.445 3.880 80 HB3 ALA 10 HB3 ALA 10 3.162 -10.937 5.063 81 H LYS 11 HN LYS 11 6.843 -11.100 4.692 82 HA LYS 11 HA LYS 11 6.764 -13.664 5.951 83 HB2 LYS 11 HB1 LYS 11 8.700 -12.291 4.041 84 HB3 LYS 11 HB2 LYS 11 9.087 -13.886 4.766 85 HG2 LYS 11 HG1 LYS 11 7.026 -14.883 3.940 86 HG3 LYS 11 HG2 LYS 11 6.504 -13.363 3.176 87 HD2 LYS 11 HD1 LYS 11 9.133 -14.876 2.502 88 HD3 LYS 11 HD2 LYS 11 7.590 -15.215 1.680 89 HE2 LYS 11 HE1 LYS 11 9.134 -12.532 1.585 90 HE3 LYS 11 HE2 LYS 11 8.964 -13.749 0.254 91 HZ1 LYS 11 HZ1 LYS 11 7.316 -12.055 -0.084 92 HZ2 LYS 11 HZ2 LYS 11 6.895 -12.064 1.512 93 HZ3 LYS 11 HZ3 LYS 11 6.478 -13.393 0.536 94 H PHE 12 HN PHE 12 8.748 -10.751 6.591 95 HA PHE 12 HA PHE 12 10.329 -12.246 8.508 96 HB2 PHE 12 HB1 PHE 12 10.335 -9.275 7.727 97 HB3 PHE 12 HB2 PHE 12 11.581 -10.075 8.770 98 HD1 PHE 12 HD1 PHE 12 11.747 -12.735 6.993 99 HD2 PHE 12 HD2 PHE 12 11.905 -8.510 6.151 100 HE1 PHE 12 HE1 PHE 12 13.132 -13.175 5.019 101 HE2 PHE 12 HE2 PHE 12 13.322 -8.971 4.177 102 HZ PHE 12 HZ PHE 12 13.926 -11.304 3.601 103 H GLY 13 HN GLY 13 7.312 -11.275 8.883 104 HA2 GLY 13 HA1 GLY 13 6.251 -11.758 10.867 105 HA3 GLY 13 HA2 GLY 13 7.722 -11.319 11.771 106 HA PRO 14 HA PRO 14 5.706 -7.250 10.822 107 HB2 PRO 14 HB1 PRO 14 2.988 -7.024 10.183 108 HB3 PRO 14 HB2 PRO 14 4.280 -7.402 8.984 109 HG2 PRO 14 HG1 PRO 14 2.488 -9.419 10.450 110 HG3 PRO 14 HG2 PRO 14 2.821 -9.298 8.675 111 HD2 PRO 14 HD1 PRO 14 4.245 -11.051 10.233 112 HD3 PRO 14 HD2 PRO 14 5.096 -10.068 8.959 113 H LYS 15 HN LYS 15 3.199 -9.261 12.571 114 HA LYS 15 HA LYS 15 2.836 -7.104 14.433 115 HB2 LYS 15 HB1 LYS 15 0.978 -8.652 13.945 116 HB3 LYS 15 HB2 LYS 15 1.900 -10.004 14.671 117 HG2 LYS 15 HG1 LYS 15 0.149 -9.122 16.211 118 HG3 LYS 15 HG2 LYS 15 1.789 -8.957 16.899 119 HD2 LYS 15 HD1 LYS 15 1.823 -6.531 16.180 120 HD3 LYS 15 HD2 LYS 15 0.126 -6.695 15.613 121 HE2 LYS 15 HE1 LYS 15 -0.581 -7.159 17.999 122 HE3 LYS 15 HE2 LYS 15 1.152 -7.114 18.517 123 HZ1 LYS 15 HZ1 LYS 15 0.078 -5.012 18.941 124 HZ2 LYS 15 HZ2 LYS 15 -0.372 -4.848 17.312 125 HZ3 LYS 15 HZ3 LYS 15 1.250 -4.804 17.752 126 H LEU 16 HN LEU 16 5.149 -9.683 14.204 127 HA LEU 16 HA LEU 16 6.087 -9.546 16.886 128 HB2 LEU 16 HB1 LEU 16 7.578 -10.219 14.295 129 HB3 LEU 16 HB2 LEU 16 8.183 -10.519 15.965 130 HG LEU 16 HG LEU 16 5.693 -11.820 14.706 131 HD11 LEU 16 HD11 LEU 16 8.488 -12.978 15.308 132 HD12 LEU 16 HD12 LEU 16 7.841 -12.596 13.665 133 HD13 LEU 16 HD13 LEU 16 7.076 -13.885 14.665 134 HD21 LEU 16 HD21 LEU 16 5.789 -13.344 16.703 135 HD22 LEU 16 HD22 LEU 16 5.441 -11.648 17.183 136 HD23 LEU 16 HD23 LEU 16 7.095 -12.331 17.411 137 H PHE 17 HN PHE 17 6.739 -7.524 13.976 138 HA PHE 17 HA PHE 17 8.522 -5.795 15.438 139 HB2 PHE 17 HB1 PHE 17 8.402 -6.051 12.863 140 HB3 PHE 17 HB2 PHE 17 6.856 -5.146 12.913 141 HD1 PHE 17 HD1 PHE 17 6.862 -2.746 13.684 142 HD2 PHE 17 HD2 PHE 17 10.518 -4.932 13.089 143 HE1 PHE 17 HE1 PHE 17 8.128 -0.625 13.648 144 HE2 PHE 17 HE2 PHE 17 11.776 -2.808 13.030 145 HZ PHE 17 HZ PHE 17 10.583 -0.649 13.316 146 H SER 18 HN SER 18 4.982 -5.651 14.662 147 HA SER 18 HA SER 18 4.871 -3.103 16.013 148 HB2 SER 18 HB1 SER 18 2.702 -2.752 15.110 149 HB3 SER 18 HB2 SER 18 3.802 -3.363 13.831 150 HG SER 18 HG1 SER 18 1.924 -4.477 13.651 151 H LEU 19 HN LEU 19 4.936 -5.923 17.588 152 HA LEU 19 HA LEU 19 2.837 -5.329 19.449 153 HB2 LEU 19 HB1 LEU 19 3.904 -6.917 20.987 154 HB3 LEU 19 HB2 LEU 19 3.475 -7.538 19.374 155 HG LEU 19 HG LEU 19 6.030 -7.096 18.781 156 HD11 LEU 19 HD11 LEU 19 7.527 -7.634 20.701 157 HD12 LEU 19 HD12 LEU 19 6.130 -7.593 21.834 158 HD13 LEU 19 HD13 LEU 19 6.671 -6.082 21.018 159 HD21 LEU 19 HD21 LEU 19 5.049 -9.447 20.519 160 HD22 LEU 19 HD22 LEU 19 6.467 -9.455 19.408 161 HD23 LEU 19 HD23 LEU 19 4.799 -9.278 18.740 162 H VAL 20 HN VAL 20 6.355 -4.424 19.485 163 HA VAL 20 HA VAL 20 5.511 -2.206 21.282 164 HB VAL 20 HB VAL 20 7.884 -2.046 21.991 165 HG11 VAL 20 HG11 VAL 20 6.191 -3.155 23.397 166 HG12 VAL 20 HG12 VAL 20 6.460 -4.723 22.563 167 HG13 VAL 20 HG13 VAL 20 7.780 -3.985 23.537 168 HG21 VAL 20 HG21 VAL 20 8.952 -3.196 19.998 169 HG22 VAL 20 HG22 VAL 20 9.418 -3.950 21.562 170 HG23 VAL 20 HG23 VAL 20 8.216 -4.757 20.509 171 H THR 21 HN THR 21 5.862 -2.717 18.194 172 HA THR 21 HA THR 21 6.582 -1.774 16.382 173 HB THR 21 HB THR 21 4.859 -0.227 16.938 174 HG1 THR 21 HG1 THR 21 5.628 1.308 15.378 175 HG21 THR 21 HG21 THR 21 5.362 2.116 17.487 176 HG22 THR 21 HG22 THR 21 7.118 1.769 17.626 177 HG23 THR 21 HG23 THR 21 5.948 1.063 18.816 178 H LYS 22 HN LYS 22 8.504 -2.932 16.949 179 HA LYS 22 HA LYS 22 10.906 -1.840 16.145 180 HB2 LYS 22 HB1 LYS 22 10.353 -1.687 19.127 181 HB3 LYS 22 HB2 LYS 22 11.974 -2.259 18.688 182 HG2 LYS 22 HG1 LYS 22 12.702 -0.287 17.703 183 HG3 LYS 22 HG2 LYS 22 11.087 0.402 17.501 184 HD2 LYS 22 HD1 LYS 22 12.673 0.040 20.117 185 HD3 LYS 22 HD2 LYS 22 12.226 1.570 19.316 186 HE2 LYS 22 HE1 LYS 22 10.374 -0.396 20.824 187 HE3 LYS 22 HE2 LYS 22 10.789 1.292 21.290 188 HZ1 LYS 22 HZ1 LYS 22 9.381 2.134 19.675 189 HZ2 LYS 22 HZ2 LYS 22 8.580 0.674 20.056 190 HZ3 LYS 22 HZ3 LYS 22 9.500 0.762 18.685 191 H LYS 23 HN LYS 23 11.866 -3.751 15.385 192 HA LYS 23 HA LYS 23 12.740 -5.458 17.391 193 HB2 LYS 23 HB1 LYS 23 12.047 -7.633 16.788 194 HB3 LYS 23 HB2 LYS 23 10.539 -6.706 16.930 195 HG2 LYS 23 HG1 LYS 23 10.201 -6.686 14.546 196 HG3 LYS 23 HG2 LYS 23 11.895 -7.134 14.182 197 HD2 LYS 23 HD1 LYS 23 11.605 -9.367 15.213 198 HD3 LYS 23 HD2 LYS 23 9.926 -8.960 15.659 199 HE2 LYS 23 HE1 LYS 23 10.014 -10.414 13.622 200 HE3 LYS 23 HE2 LYS 23 9.271 -8.807 13.260 201 HZ1 LYS 23 HZ1 LYS 23 11.180 -8.110 12.174 202 HZ2 LYS 23 HZ2 LYS 23 10.925 -9.703 11.667 203 HZ3 LYS 23 HZ3 LYS 23 12.162 -9.331 12.796 204 H SER 24 HN SER 24 14.287 -7.168 16.369 205 HA SER 24 HA SER 24 15.945 -7.726 15.011 206 HB2 SER 24 HB1 SER 24 14.113 -6.728 12.765 207 HB3 SER 24 HB2 SER 24 15.584 -7.726 12.520 208 HG SER 24 HG1 SER 24 14.631 -9.384 13.628 Start of MODEL 19 1 H1 PHE 1 HN PHE 1 5.655 2.800 0.368 2 HA PHE 1 HA PHE 1 7.799 1.376 1.375 3 HB2 PHE 1 HB1 PHE 1 6.702 -0.848 1.875 4 HB3 PHE 1 HB2 PHE 1 6.201 0.444 3.022 5 HD1 PHE 1 HD1 PHE 1 3.938 1.330 3.008 6 HD2 PHE 1 HD2 PHE 1 5.103 -1.697 0.197 7 HE1 PHE 1 HE1 PHE 1 1.553 0.888 2.495 8 HE2 PHE 1 HE2 PHE 1 2.722 -2.138 -0.320 9 HZ PHE 1 HZ PHE 1 0.945 -0.846 0.829 10 H LEU 2 HN LEU 2 7.991 -0.829 -0.002 11 HA LEU 2 HA LEU 2 7.004 -0.245 -2.721 12 HB2 LEU 2 HB1 LEU 2 9.716 -1.437 -1.869 13 HB3 LEU 2 HB2 LEU 2 9.038 -1.568 -3.521 14 HG LEU 2 HG LEU 2 8.924 1.008 -3.554 15 HD11 LEU 2 HD11 LEU 2 10.712 2.161 -2.228 16 HD12 LEU 2 HD12 LEU 2 10.987 0.657 -1.278 17 HD13 LEU 2 HD13 LEU 2 9.409 1.538 -1.164 18 HD21 LEU 2 HD21 LEU 2 10.472 -0.389 -4.919 19 HD22 LEU 2 HD22 LEU 2 11.642 -0.453 -3.545 20 HD23 LEU 2 HD23 LEU 2 11.280 1.115 -4.354 21 HA PRO 3 HA PRO 3 4.993 -4.037 -2.045 22 HB2 PRO 3 HB1 PRO 3 4.715 -5.164 -4.624 23 HB3 PRO 3 HB2 PRO 3 3.793 -3.732 -4.034 24 HG2 PRO 3 HG1 PRO 3 6.391 -3.718 -5.666 25 HG3 PRO 3 HG2 PRO 3 4.863 -2.805 -5.991 26 HD2 PRO 3 HD1 PRO 3 6.953 -1.598 -4.698 27 HD3 PRO 3 HD2 PRO 3 5.254 -1.324 -4.107 28 H ILE 4 HN ILE 4 8.052 -4.408 -3.873 29 HA ILE 4 HA ILE 4 8.300 -7.164 -3.403 30 HB ILE 4 HB ILE 4 9.542 -6.056 -5.112 31 HG12 ILE 4 HG11 ILE 4 11.472 -7.256 -3.036 32 HG13 ILE 4 HG12 ILE 4 10.343 -8.206 -4.053 33 HG21 ILE 4 HG21 ILE 4 9.979 -3.849 -3.914 34 HG22 ILE 4 HG22 ILE 4 11.242 -4.689 -2.921 35 HG23 ILE 4 HG23 ILE 4 11.426 -4.552 -4.696 36 HD11 ILE 4 HD1 ILE 4 12.638 -6.409 -5.095 37 HD12 ILE 4 HD2 ILE 4 12.591 -8.205 -5.083 38 HD13 ILE 4 HD3 ILE 4 11.457 -7.287 -6.134 39 H LEU 5 HN LEU 5 9.576 -4.441 -1.374 40 HA LEU 5 HA LEU 5 10.604 -6.256 0.559 41 HB2 LEU 5 HB1 LEU 5 11.151 -4.372 1.952 42 HB3 LEU 5 HB2 LEU 5 11.642 -4.124 0.260 43 HG LEU 5 HG LEU 5 9.372 -2.756 0.056 44 HD11 LEU 5 HD11 LEU 5 8.901 -1.455 2.181 45 HD12 LEU 5 HD12 LEU 5 9.986 -2.567 3.084 46 HD13 LEU 5 HD13 LEU 5 8.458 -3.191 2.362 47 HD21 LEU 5 HD21 LEU 5 11.869 -1.702 1.525 48 HD22 LEU 5 HD22 LEU 5 10.647 -0.695 0.666 49 HD23 LEU 5 HD23 LEU 5 11.670 -1.854 -0.259 50 H ALA 6 HN ALA 6 7.456 -4.601 0.257 51 HA ALA 6 HA ALA 6 6.428 -5.442 2.730 52 HB1 ALA 6 HB1 ALA 6 4.996 -4.942 0.050 53 HB2 ALA 6 HB2 ALA 6 4.202 -4.998 1.670 54 HB3 ALA 6 HB3 ALA 6 5.381 -3.694 1.289 55 H SER 7 HN SER 7 6.396 -7.093 -0.467 56 HA SER 7 HA SER 7 5.015 -9.386 0.315 57 HB2 SER 7 HB1 SER 7 5.506 -8.780 -2.054 58 HB3 SER 7 HB2 SER 7 7.238 -9.145 -1.796 59 HG SER 7 HG1 SER 7 5.778 -10.795 -2.760 60 H LEU 8 HN LEU 8 8.587 -8.743 0.534 61 HA LEU 8 HA LEU 8 9.143 -11.282 1.709 62 HB2 LEU 8 HB1 LEU 8 10.582 -8.582 1.900 63 HB3 LEU 8 HB2 LEU 8 11.261 -10.126 2.504 64 HG LEU 8 HG LEU 8 10.506 -9.608 -0.433 65 HD11 LEU 8 HD11 LEU 8 12.948 -9.351 -0.825 66 HD12 LEU 8 HD12 LEU 8 13.261 -9.487 0.944 67 HD13 LEU 8 HD13 LEU 8 12.331 -8.083 0.295 68 HD21 LEU 8 HD21 LEU 8 10.527 -12.046 0.158 69 HD22 LEU 8 HD22 LEU 8 12.161 -11.849 0.904 70 HD23 LEU 8 HD23 LEU 8 11.946 -11.617 -0.866 71 H ALA 9 HN ALA 9 8.551 -8.050 3.254 72 HA ALA 9 HA ALA 9 8.952 -8.939 5.846 73 HB1 ALA 9 HB1 ALA 9 7.863 -6.772 6.488 74 HB2 ALA 9 HB2 ALA 9 8.997 -6.551 5.106 75 HB3 ALA 9 HB3 ALA 9 7.227 -6.612 4.802 76 H ALA 10 HN ALA 10 5.810 -8.685 4.080 77 HA ALA 10 HA ALA 10 4.208 -9.475 6.243 78 HB1 ALA 10 HB1 ALA 10 3.348 -8.328 4.200 79 HB2 ALA 10 HB2 ALA 10 3.764 -9.767 3.210 80 HB3 ALA 10 HB3 ALA 10 2.476 -9.880 4.473 81 H LYS 11 HN LYS 11 5.785 -11.370 3.692 82 HA LYS 11 HA LYS 11 4.593 -13.852 4.283 83 HB2 LYS 11 HB1 LYS 11 5.593 -13.047 2.150 84 HB3 LYS 11 HB2 LYS 11 7.237 -13.200 2.871 85 HG2 LYS 11 HG1 LYS 11 6.802 -15.693 3.124 86 HG3 LYS 11 HG2 LYS 11 5.198 -15.474 2.375 87 HD2 LYS 11 HD1 LYS 11 7.961 -15.043 1.044 88 HD3 LYS 11 HD2 LYS 11 6.801 -16.364 0.774 89 HE2 LYS 11 HE1 LYS 11 6.415 -15.070 -1.128 90 HE3 LYS 11 HE2 LYS 11 5.106 -14.482 -0.032 91 HZ1 LYS 11 HZ1 LYS 11 6.627 -12.617 0.555 92 HZ2 LYS 11 HZ2 LYS 11 6.230 -12.609 -1.055 93 HZ3 LYS 11 HZ3 LYS 11 7.743 -13.179 -0.574 94 H PHE 12 HN PHE 12 7.680 -12.408 5.436 95 HA PHE 12 HA PHE 12 8.425 -14.802 6.844 96 HB2 PHE 12 HB1 PHE 12 9.512 -11.961 6.571 97 HB3 PHE 12 HB2 PHE 12 10.065 -12.962 7.962 98 HD1 PHE 12 HD1 PHE 12 11.850 -14.360 7.710 99 HD2 PHE 12 HD2 PHE 12 9.643 -13.269 4.191 100 HE1 PHE 12 HE1 PHE 12 13.512 -15.534 6.302 101 HE2 PHE 12 HE2 PHE 12 11.308 -14.435 2.784 102 HZ PHE 12 HZ PHE 12 13.245 -15.572 3.837 103 H GLY 13 HN GLY 13 6.198 -12.300 7.598 104 HA2 GLY 13 HA1 GLY 13 4.663 -12.693 9.307 105 HA3 GLY 13 HA2 GLY 13 5.907 -13.559 10.243 106 HA PRO 14 HA PRO 14 7.007 -9.132 10.898 107 HB2 PRO 14 HB1 PRO 14 5.428 -7.001 10.114 108 HB3 PRO 14 HB2 PRO 14 6.244 -8.047 8.888 109 HG2 PRO 14 HG1 PRO 14 3.357 -8.346 9.909 110 HG3 PRO 14 HG2 PRO 14 3.913 -8.168 8.191 111 HD2 PRO 14 HD1 PRO 14 3.499 -10.667 9.307 112 HD3 PRO 14 HD2 PRO 14 4.903 -10.365 8.193 113 H LYS 15 HN LYS 15 4.568 -10.625 12.277 114 HA LYS 15 HA LYS 15 3.074 -8.752 13.685 115 HB2 LYS 15 HB1 LYS 15 3.693 -11.655 14.442 116 HB3 LYS 15 HB2 LYS 15 2.491 -10.610 15.268 117 HG2 LYS 15 HG1 LYS 15 1.350 -10.285 12.967 118 HG3 LYS 15 HG2 LYS 15 2.433 -11.562 12.344 119 HD2 LYS 15 HD1 LYS 15 0.353 -12.616 12.882 120 HD3 LYS 15 HD2 LYS 15 1.531 -13.133 14.133 121 HE2 LYS 15 HE1 LYS 15 0.532 -11.443 15.751 122 HE3 LYS 15 HE2 LYS 15 -0.617 -10.907 14.462 123 HZ1 LYS 15 HZ1 LYS 15 -1.525 -13.142 14.424 124 HZ2 LYS 15 HZ2 LYS 15 -1.614 -12.478 15.982 125 HZ3 LYS 15 HZ3 LYS 15 -0.439 -13.647 15.627 126 H LEU 16 HN LEU 16 6.101 -10.390 14.808 127 HA LEU 16 HA LEU 16 6.019 -9.347 17.413 128 HB2 LEU 16 HB1 LEU 16 7.396 -11.266 16.420 129 HB3 LEU 16 HB2 LEU 16 8.549 -10.050 15.810 130 HG LEU 16 HG LEU 16 7.748 -10.367 18.775 131 HD11 LEU 16 HD11 LEU 16 9.831 -11.699 19.058 132 HD12 LEU 16 HD12 LEU 16 10.139 -11.619 17.285 133 HD13 LEU 16 HD13 LEU 16 8.698 -12.507 17.914 134 HD21 LEU 16 HD21 LEU 16 8.868 -8.183 18.392 135 HD22 LEU 16 HD22 LEU 16 10.184 -8.995 17.455 136 HD23 LEU 16 HD23 LEU 16 10.000 -9.300 19.216 137 H PHE 17 HN PHE 17 7.593 -8.073 14.454 138 HA PHE 17 HA PHE 17 8.696 -5.789 15.631 139 HB2 PHE 17 HB1 PHE 17 9.220 -6.941 13.348 140 HB3 PHE 17 HB2 PHE 17 7.804 -6.058 12.686 141 HD1 PHE 17 HD1 PHE 17 10.974 -5.554 14.678 142 HD2 PHE 17 HD2 PHE 17 8.260 -3.918 11.779 143 HE1 PHE 17 HE1 PHE 17 12.546 -3.695 14.265 144 HE2 PHE 17 HE2 PHE 17 9.840 -2.056 11.355 145 HZ PHE 17 HZ PHE 17 11.984 -1.938 12.602 146 H SER 18 HN SER 18 5.508 -6.312 14.092 147 HA SER 18 HA SER 18 4.619 -3.654 14.367 148 HB2 SER 18 HB1 SER 18 2.417 -4.369 13.814 149 HB3 SER 18 HB2 SER 18 3.561 -5.346 12.839 150 HG SER 18 HG1 SER 18 3.268 -6.904 14.750 151 H LEU 19 HN LEU 19 4.166 -6.415 16.717 152 HA LEU 19 HA LEU 19 2.544 -4.771 18.372 153 HB2 LEU 19 HB1 LEU 19 2.395 -6.631 19.896 154 HB3 LEU 19 HB2 LEU 19 2.190 -7.160 18.205 155 HG LEU 19 HG LEU 19 4.788 -7.752 18.367 156 HD11 LEU 19 HD11 LEU 19 5.403 -8.665 20.625 157 HD12 LEU 19 HD12 LEU 19 3.905 -7.955 21.324 158 HD13 LEU 19 HD13 LEU 19 5.205 -6.881 20.695 159 HD21 LEU 19 HD21 LEU 19 2.933 -9.351 17.919 160 HD22 LEU 19 HD22 LEU 19 2.573 -9.440 19.690 161 HD23 LEU 19 HD23 LEU 19 4.142 -10.063 19.059 162 H VAL 20 HN VAL 20 6.031 -5.318 18.301 163 HA VAL 20 HA VAL 20 6.328 -3.866 20.812 164 HB VAL 20 HB VAL 20 7.735 -5.833 19.952 165 HG11 VAL 20 HG11 VAL 20 9.665 -5.318 18.543 166 HG12 VAL 20 HG12 VAL 20 8.176 -4.854 17.651 167 HG13 VAL 20 HG13 VAL 20 9.208 -3.583 18.414 168 HG21 VAL 20 HG21 VAL 20 9.744 -4.984 21.131 169 HG22 VAL 20 HG22 VAL 20 9.121 -3.294 21.020 170 HG23 VAL 20 HG23 VAL 20 8.238 -4.526 22.001 171 H THR 21 HN THR 21 5.391 -3.024 17.881 172 HA THR 21 HA THR 21 5.495 -1.436 16.429 173 HB THR 21 HB THR 21 3.949 -0.637 18.008 174 HG1 THR 21 HG1 THR 21 3.774 1.310 17.196 175 HG21 THR 21 HG21 THR 21 5.431 -0.192 19.966 176 HG22 THR 21 HG22 THR 21 4.452 1.248 19.542 177 HG23 THR 21 HG23 THR 21 6.196 1.194 19.095 178 H LYS 22 HN LYS 22 7.705 -2.287 16.026 179 HA LYS 22 HA LYS 22 9.622 -1.911 15.041 180 HB2 LYS 22 HB1 LYS 22 9.188 1.092 15.387 181 HB3 LYS 22 HB2 LYS 22 10.420 0.334 14.349 182 HG2 LYS 22 HG1 LYS 22 8.957 -0.281 12.712 183 HG3 LYS 22 HG2 LYS 22 7.572 -0.561 13.787 184 HD2 LYS 22 HD1 LYS 22 8.557 2.319 13.327 185 HD3 LYS 22 HD2 LYS 22 7.646 1.456 12.063 186 HE2 LYS 22 HE1 LYS 22 5.992 2.715 13.269 187 HE3 LYS 22 HE2 LYS 22 5.767 0.973 13.681 188 HZ1 LYS 22 HZ1 LYS 22 5.670 1.967 15.715 189 HZ2 LYS 22 HZ2 LYS 22 6.826 3.167 15.371 190 HZ3 LYS 22 HZ3 LYS 22 7.262 1.563 15.686 191 H LYS 23 HN LYS 23 11.181 -2.782 16.201 192 HA LYS 23 HA LYS 23 13.203 -1.776 17.591 193 HB2 LYS 23 HB1 LYS 23 10.804 -2.188 19.415 194 HB3 LYS 23 HB2 LYS 23 12.368 -2.793 20.018 195 HG2 LYS 23 HG1 LYS 23 13.449 -0.669 19.994 196 HG3 LYS 23 HG2 LYS 23 12.144 0.120 19.097 197 HD2 LYS 23 HD1 LYS 23 12.151 -0.821 22.016 198 HD3 LYS 23 HD2 LYS 23 11.985 0.839 21.388 199 HE2 LYS 23 HE1 LYS 23 9.912 -1.440 21.371 200 HE3 LYS 23 HE2 LYS 23 9.791 0.143 22.216 201 HZ1 LYS 23 HZ1 LYS 23 8.598 -0.343 19.978 202 HZ2 LYS 23 HZ2 LYS 23 10.044 0.067 19.263 203 HZ3 LYS 23 HZ3 LYS 23 9.261 1.205 20.245 204 H SER 24 HN SER 24 14.338 -3.694 18.668 205 HA SER 24 HA SER 24 15.096 -5.726 18.563 206 HB2 SER 24 HB1 SER 24 13.849 -7.736 18.614 207 HB3 SER 24 HB2 SER 24 12.886 -6.526 19.520 208 HG SER 24 HG1 SER 24 11.741 -6.207 17.473 Start of MODEL 20 1 H1 PHE 1 HN PHE 1 5.106 -1.038 2.129 2 HA PHE 1 HA PHE 1 4.536 1.141 1.186 3 HB2 PHE 1 HB1 PHE 1 6.600 2.300 1.949 4 HB3 PHE 1 HB2 PHE 1 7.607 1.269 0.883 5 HD1 PHE 1 HD1 PHE 1 8.595 2.921 -0.454 6 HD2 PHE 1 HD2 PHE 1 4.311 2.985 -0.010 7 HE1 PHE 1 HE1 PHE 1 8.423 4.602 -2.260 8 HE2 PHE 1 HE2 PHE 1 4.154 4.651 -1.812 9 HZ PHE 1 HZ PHE 1 6.202 5.463 -2.946 10 H LEU 2 HN LEU 2 7.300 0.154 -0.796 11 HA LEU 2 HA LEU 2 5.715 -0.469 -2.957 12 HB2 LEU 2 HB1 LEU 2 8.574 -1.424 -2.363 13 HB3 LEU 2 HB2 LEU 2 7.819 -1.411 -3.989 14 HG LEU 2 HG LEU 2 8.422 1.069 -2.274 15 HD11 LEU 2 HD11 LEU 2 10.191 1.513 -3.960 16 HD12 LEU 2 HD12 LEU 2 9.796 -0.025 -4.807 17 HD13 LEU 2 HD13 LEU 2 10.473 -0.065 -3.135 18 HD21 LEU 2 HD21 LEU 2 7.342 0.839 -5.160 19 HD22 LEU 2 HD22 LEU 2 7.900 2.354 -4.366 20 HD23 LEU 2 HD23 LEU 2 6.453 1.503 -3.732 21 HA PRO 3 HA PRO 3 4.153 -4.380 -2.143 22 HB2 PRO 3 HB1 PRO 3 3.883 -5.623 -4.678 23 HB3 PRO 3 HB2 PRO 3 2.852 -4.272 -4.078 24 HG2 PRO 3 HG1 PRO 3 5.363 -4.052 -5.826 25 HG3 PRO 3 HG2 PRO 3 3.742 -3.294 -6.100 26 HD2 PRO 3 HD1 PRO 3 5.751 -1.855 -4.935 27 HD3 PRO 3 HD2 PRO 3 4.069 -1.752 -4.243 28 H ILE 4 HN ILE 4 7.152 -4.604 -4.075 29 HA ILE 4 HA ILE 4 7.699 -7.287 -3.406 30 HB ILE 4 HB ILE 4 8.776 -6.179 -5.242 31 HG12 ILE 4 HG11 ILE 4 10.855 -7.029 -3.138 32 HG13 ILE 4 HG12 ILE 4 9.813 -8.156 -4.060 33 HG21 ILE 4 HG21 ILE 4 10.372 -4.503 -3.192 34 HG22 ILE 4 HG22 ILE 4 10.510 -4.465 -4.976 35 HG23 ILE 4 HG23 ILE 4 9.012 -3.860 -4.203 36 HD11 ILE 4 HD1 ILE 4 11.897 -6.218 -5.278 37 HD12 ILE 4 HD2 ILE 4 12.031 -8.004 -5.142 38 HD13 ILE 4 HD3 ILE 4 10.792 -7.279 -6.226 39 H LEU 5 HN LEU 5 8.509 -4.267 -1.660 40 HA LEU 5 HA LEU 5 9.960 -5.526 0.433 41 HB2 LEU 5 HB1 LEU 5 8.434 -2.853 0.393 42 HB3 LEU 5 HB2 LEU 5 9.662 -3.336 1.606 43 HG LEU 5 HG LEU 5 10.188 -2.894 -1.397 44 HD11 LEU 5 HD11 LEU 5 11.352 -0.826 -0.669 45 HD12 LEU 5 HD12 LEU 5 10.893 -1.149 1.043 46 HD13 LEU 5 HD13 LEU 5 9.616 -0.789 -0.179 47 HD21 LEU 5 HD21 LEU 5 12.610 -2.972 -0.748 48 HD22 LEU 5 HD22 LEU 5 11.797 -4.548 -0.459 49 HD23 LEU 5 HD23 LEU 5 12.145 -3.444 0.926 50 H ALA 6 HN ALA 6 6.542 -4.524 0.065 51 HA ALA 6 HA ALA 6 5.668 -5.326 2.597 52 HB1 ALA 6 HB1 ALA 6 4.397 -3.836 1.005 53 HB2 ALA 6 HB2 ALA 6 4.136 -5.250 -0.076 54 HB3 ALA 6 HB3 ALA 6 3.394 -5.224 1.568 55 H SER 7 HN SER 7 5.778 -7.201 -0.476 56 HA SER 7 HA SER 7 4.732 -9.596 0.526 57 HB2 SER 7 HB1 SER 7 5.056 -9.024 -1.905 58 HB3 SER 7 HB2 SER 7 6.826 -9.236 -1.697 59 HG SER 7 HG1 SER 7 5.686 -11.103 -2.515 60 H LEU 8 HN LEU 8 8.177 -8.507 0.377 61 HA LEU 8 HA LEU 8 9.278 -10.796 1.544 62 HB2 LEU 8 HB1 LEU 8 10.403 -8.950 0.258 63 HB3 LEU 8 HB2 LEU 8 10.257 -7.875 1.669 64 HG LEU 8 HG LEU 8 11.700 -10.584 1.835 65 HD11 LEU 8 HD11 LEU 8 13.830 -9.431 1.226 66 HD12 LEU 8 HD12 LEU 8 12.917 -7.914 0.884 67 HD13 LEU 8 HD13 LEU 8 12.644 -9.380 -0.130 68 HD21 LEU 8 HD21 LEU 8 11.374 -9.421 4.034 69 HD22 LEU 8 HD22 LEU 8 12.095 -7.914 3.350 70 HD23 LEU 8 HD23 LEU 8 13.106 -9.391 3.560 71 H ALA 9 HN ALA 9 8.146 -7.752 3.127 72 HA ALA 9 HA ALA 9 8.707 -8.539 5.751 73 HB1 ALA 9 HB1 ALA 9 8.216 -6.191 5.022 74 HB2 ALA 9 HB2 ALA 9 6.521 -6.662 4.658 75 HB3 ALA 9 HB3 ALA 9 7.121 -6.690 6.365 76 H ALA 10 HN ALA 10 5.713 -9.014 3.817 77 HA ALA 10 HA ALA 10 4.178 -10.248 5.785 78 HB1 ALA 10 HB1 ALA 10 4.158 -10.627 2.734 79 HB2 ALA 10 HB2 ALA 10 2.815 -11.073 3.856 80 HB3 ALA 10 HB3 ALA 10 3.282 -9.346 3.637 81 H LYS 11 HN LYS 11 6.476 -11.652 3.454 82 HA LYS 11 HA LYS 11 5.925 -14.313 3.761 83 HB2 LYS 11 HB1 LYS 11 7.419 -13.073 2.043 84 HB3 LYS 11 HB2 LYS 11 8.690 -13.038 3.289 85 HG2 LYS 11 HG1 LYS 11 9.226 -14.826 1.834 86 HG3 LYS 11 HG2 LYS 11 8.590 -15.633 3.299 87 HD2 LYS 11 HD1 LYS 11 6.380 -15.953 2.179 88 HD3 LYS 11 HD2 LYS 11 6.933 -14.968 0.782 89 HE2 LYS 11 HE1 LYS 11 8.712 -16.712 0.275 90 HE3 LYS 11 HE2 LYS 11 8.059 -17.733 1.619 91 HZ1 LYS 11 HZ1 LYS 11 5.930 -17.758 0.477 92 HZ2 LYS 11 HZ2 LYS 11 7.156 -18.359 -0.533 93 HZ3 LYS 11 HZ3 LYS 11 6.546 -16.795 -0.773 94 H PHE 12 HN PHE 12 8.188 -12.360 5.737 95 HA PHE 12 HA PHE 12 8.973 -14.774 7.209 96 HB2 PHE 12 HB1 PHE 12 10.073 -11.898 7.223 97 HB3 PHE 12 HB2 PHE 12 10.758 -13.268 8.183 98 HD1 PHE 12 HD1 PHE 12 11.140 -15.506 6.722 99 HD2 PHE 12 HD2 PHE 12 11.146 -11.496 5.190 100 HE1 PHE 12 HE1 PHE 12 12.500 -16.248 4.793 101 HE2 PHE 12 HE2 PHE 12 12.513 -12.233 3.262 102 HZ PHE 12 HZ PHE 12 13.188 -14.612 3.056 103 H GLY 13 HN GLY 13 6.420 -12.781 7.584 104 HA2 GLY 13 HA1 GLY 13 4.965 -13.180 9.359 105 HA3 GLY 13 HA2 GLY 13 6.345 -13.538 10.425 106 HA PRO 14 HA PRO 14 6.283 -8.879 10.231 107 HB2 PRO 14 HB1 PRO 14 4.069 -7.437 9.329 108 HB3 PRO 14 HB2 PRO 14 5.227 -8.232 8.195 109 HG2 PRO 14 HG1 PRO 14 2.582 -9.415 9.224 110 HG3 PRO 14 HG2 PRO 14 3.114 -9.207 7.503 111 HD2 PRO 14 HD1 PRO 14 3.510 -11.594 8.814 112 HD3 PRO 14 HD2 PRO 14 4.816 -10.925 7.740 113 H LYS 15 HN LYS 15 3.815 -10.740 11.606 114 HA LYS 15 HA LYS 15 2.642 -8.821 13.284 115 HB2 LYS 15 HB1 LYS 15 2.009 -11.377 12.719 116 HB3 LYS 15 HB2 LYS 15 2.706 -11.639 14.339 117 HG2 LYS 15 HG1 LYS 15 0.528 -9.569 13.601 118 HG3 LYS 15 HG2 LYS 15 0.160 -11.218 14.182 119 HD2 LYS 15 HD1 LYS 15 1.011 -10.832 16.372 120 HD3 LYS 15 HD2 LYS 15 1.867 -9.340 15.924 121 HE2 LYS 15 HE1 LYS 15 -1.207 -9.611 16.053 122 HE3 LYS 15 HE2 LYS 15 -0.129 -8.848 17.289 123 HZ1 LYS 15 HZ1 LYS 15 -0.899 -7.103 15.980 124 HZ2 LYS 15 HZ2 LYS 15 -0.680 -7.939 14.519 125 HZ3 LYS 15 HZ3 LYS 15 0.654 -7.384 15.371 126 H LEU 16 HN LEU 16 5.594 -10.820 13.770 127 HA LEU 16 HA LEU 16 6.088 -10.135 16.438 128 HB2 LEU 16 HB1 LEU 16 7.982 -10.839 14.115 129 HB3 LEU 16 HB2 LEU 16 8.507 -10.624 15.811 130 HG LEU 16 HG LEU 16 6.911 -12.489 16.486 131 HD11 LEU 16 HD11 LEU 16 5.431 -12.739 14.507 132 HD12 LEU 16 HD12 LEU 16 6.436 -14.215 14.683 133 HD13 LEU 16 HD13 LEU 16 6.871 -12.997 13.436 134 HD21 LEU 16 HD21 LEU 16 9.235 -13.139 14.568 135 HD22 LEU 16 HD22 LEU 16 8.552 -14.240 15.819 136 HD23 LEU 16 HD23 LEU 16 9.388 -12.725 16.317 137 H PHE 17 HN PHE 17 7.078 -8.529 13.393 138 HA PHE 17 HA PHE 17 8.486 -6.415 14.569 139 HB2 PHE 17 HB1 PHE 17 8.469 -7.273 12.109 140 HB3 PHE 17 HB2 PHE 17 6.954 -6.338 11.884 141 HD1 PHE 17 HD1 PHE 17 7.258 -4.168 11.030 142 HD2 PHE 17 HD2 PHE 17 10.463 -5.963 13.260 143 HE1 PHE 17 HE1 PHE 17 8.729 -2.261 10.455 144 HE2 PHE 17 HE2 PHE 17 11.927 -4.053 12.698 145 HZ PHE 17 HZ PHE 17 11.071 -2.209 11.278 146 H SER 18 HN SER 18 5.035 -6.681 13.655 147 HA SER 18 HA SER 18 4.306 -4.087 14.434 148 HB2 SER 18 HB1 SER 18 2.016 -4.687 14.287 149 HB3 SER 18 HB2 SER 18 2.873 -5.619 13.020 150 HG SER 18 HG1 SER 18 2.935 -7.318 14.748 151 H LEU 19 HN LEU 19 4.332 -7.064 16.521 152 HA LEU 19 HA LEU 19 3.083 -5.654 18.652 153 HB2 LEU 19 HB1 LEU 19 3.302 -7.632 19.996 154 HB3 LEU 19 HB2 LEU 19 2.720 -8.020 18.356 155 HG LEU 19 HG LEU 19 5.313 -8.541 17.896 156 HD11 LEU 19 HD11 LEU 19 6.149 -7.900 20.200 157 HD12 LEU 19 HD12 LEU 19 6.381 -9.652 19.868 158 HD13 LEU 19 HD13 LEU 19 5.030 -9.110 20.923 159 HD21 LEU 19 HD21 LEU 19 4.831 -10.930 18.462 160 HD22 LEU 19 HD22 LEU 19 3.435 -10.147 17.633 161 HD23 LEU 19 HD23 LEU 19 3.399 -10.417 19.422 162 H VAL 20 HN VAL 20 6.538 -6.278 17.917 163 HA VAL 20 HA VAL 20 7.334 -5.000 20.356 164 HB VAL 20 HB VAL 20 8.638 -6.711 19.054 165 HG11 VAL 20 HG11 VAL 20 9.419 -4.282 17.296 166 HG12 VAL 20 HG12 VAL 20 10.106 -5.940 17.228 167 HG13 VAL 20 HG13 VAL 20 8.388 -5.674 16.766 168 HG21 VAL 20 HG21 VAL 20 10.117 -4.096 19.742 169 HG22 VAL 20 HG22 VAL 20 9.585 -5.348 20.950 170 HG23 VAL 20 HG23 VAL 20 10.811 -5.748 19.693 171 H THR 21 HN THR 21 6.125 -3.925 17.429 172 HA THR 21 HA THR 21 5.869 -2.191 16.269 173 HB THR 21 HB THR 21 4.459 -1.574 18.039 174 HG1 THR 21 HG1 THR 21 4.193 0.498 17.341 175 HG21 THR 21 HG21 THR 21 6.050 -1.089 19.882 176 HG22 THR 21 HG22 THR 21 5.041 0.355 19.536 177 HG23 THR 21 HG23 THR 21 6.746 0.302 18.955 178 H LYS 22 HN LYS 22 8.109 -2.927 15.594 179 HA LYS 22 HA LYS 22 10.039 -2.331 14.583 180 HB2 LYS 22 HB1 LYS 22 8.496 -1.224 13.174 181 HB3 LYS 22 HB2 LYS 22 8.209 0.069 14.328 182 HG2 LYS 22 HG1 LYS 22 10.996 0.385 13.591 183 HG3 LYS 22 HG2 LYS 22 10.129 -0.110 12.121 184 HD2 LYS 22 HD1 LYS 22 9.932 2.213 12.058 185 HD3 LYS 22 HD2 LYS 22 8.346 1.707 12.692 186 HE2 LYS 22 HE1 LYS 22 10.731 2.935 14.252 187 HE3 LYS 22 HE2 LYS 22 9.151 3.725 13.879 188 HZ1 LYS 22 HZ1 LYS 22 9.697 1.465 15.706 189 HZ2 LYS 22 HZ2 LYS 22 8.133 1.889 15.304 190 HZ3 LYS 22 HZ3 LYS 22 9.125 2.990 16.137 191 H LYS 23 HN LYS 23 10.961 -2.678 16.914 192 HA LYS 23 HA LYS 23 12.454 -0.389 17.843 193 HB2 LYS 23 HB1 LYS 23 10.014 -0.114 18.561 194 HB3 LYS 23 HB2 LYS 23 10.104 -1.688 19.368 195 HG2 LYS 23 HG1 LYS 23 11.890 0.725 20.153 196 HG3 LYS 23 HG2 LYS 23 10.194 0.616 20.665 197 HD2 LYS 23 HD1 LYS 23 12.515 -1.162 21.538 198 HD3 LYS 23 HD2 LYS 23 11.473 -0.112 22.517 199 HE2 LYS 23 HE1 LYS 23 10.830 -2.870 21.303 200 HE3 LYS 23 HE2 LYS 23 10.880 -2.383 23.034 201 HZ1 LYS 23 HZ1 LYS 23 8.967 -0.804 22.322 202 HZ2 LYS 23 HZ2 LYS 23 8.650 -2.455 22.563 203 HZ3 LYS 23 HZ3 LYS 23 8.807 -1.860 21.000 204 H SER 24 HN SER 24 13.967 -1.140 19.568 205 HA SER 24 HA SER 24 15.458 -2.531 20.349 206 HB2 SER 24 HB1 SER 24 13.365 -4.765 20.299 207 HB3 SER 24 HB2 SER 24 14.969 -4.829 21.119 208 HG SER 24 HG1 SER 24 13.656 -4.174 22.680
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