NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
621823 | 5h2s | 36025 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PHE 1 H1 PHE 1 45.763 6.151 16.255 2 H2 PHE 1 H2 PHE 1 46.736 7.452 16.753 3 H3 PHE 1 H3 PHE 1 45.802 7.577 15.338 4 HA PHE 1 HA PHE 1 43.801 7.180 16.867 5 HB2 PHE 1 HB3 PHE 1 45.904 8.159 18.824 6 HB3 PHE 1 HB2 PHE 1 44.184 7.974 19.168 7 HD1 PHE 1 HD1 PHE 1 47.237 6.098 18.129 8 HD2 PHE 1 HD2 PHE 1 43.285 5.867 19.797 9 HE1 PHE 1 HE1 PHE 1 47.609 3.710 18.680 10 HE2 PHE 1 HE2 PHE 1 43.658 3.478 20.348 11 HZ PHE 1 HZ PHE 1 45.820 2.399 19.789 12 H ILE 2 HN ILE 2 45.140 8.947 14.894 13 HA ILE 2 HA ILE 2 44.933 11.655 15.974 14 HB ILE 2 HB ILE 2 45.143 10.743 13.088 15 HG12 ILE 2 HG13 ILE 2 47.280 11.494 15.105 16 HG13 ILE 2 HG12 ILE 2 47.002 9.887 14.435 17 HG21 ILE 2 HG21 ILE 2 44.413 13.196 13.745 18 HG22 ILE 2 HG22 ILE 2 45.669 12.963 12.537 19 HG23 ILE 2 HG23 ILE 2 46.105 13.380 14.193 20 HD11 ILE 2 HD11 ILE 2 47.383 10.893 12.138 21 HD12 ILE 2 HD12 ILE 2 48.807 10.853 13.178 22 HD13 ILE 2 HD13 ILE 2 47.919 12.361 12.954 23 H HIS 3 HN HIS 3 43.435 11.112 12.876 24 HA HIS 3 HA HIS 3 40.713 11.147 13.958 25 HB2 HIS 3 HB3 HIS 3 40.127 13.302 12.924 26 HB3 HIS 3 HB2 HIS 3 41.366 13.504 14.158 27 HD1 HIS 3 HD1 HIS 3 41.164 15.652 12.034 28 HD2 HIS 3 HD2 HIS 3 43.618 12.306 11.582 29 HE1 HIS 3 HE1 HIS 3 42.948 16.280 10.350 30 HE2 HIS 3 HE2 HIS 3 44.426 14.247 10.053 31 H HIS 4 HN HIS 4 42.936 10.700 11.419 32 HA HIS 4 HA HIS 4 40.752 10.181 9.440 33 HB2 HIS 4 HB3 HIS 4 42.411 10.367 7.720 34 HB3 HIS 4 HB2 HIS 4 42.667 11.729 8.808 35 HD1 HIS 4 HD1 HIS 4 45.032 12.018 9.551 36 HD2 HIS 4 HD2 HIS 4 44.202 8.066 8.525 37 HE1 HIS 4 HE1 HIS 4 47.213 10.747 9.787 38 HE2 HIS 4 HE2 HIS 4 46.720 8.335 9.165 39 H ILE 5 HN ILE 5 42.924 8.695 11.585 40 HA ILE 5 HA ILE 5 43.087 6.176 10.089 41 HB ILE 5 HB ILE 5 44.440 5.375 11.854 42 HG12 ILE 5 HG13 ILE 5 42.984 5.868 13.771 43 HG13 ILE 5 HG12 ILE 5 44.599 6.491 14.070 44 HG21 ILE 5 HG21 ILE 5 45.489 7.196 10.578 45 HG22 ILE 5 HG22 ILE 5 46.058 7.192 12.247 46 HG23 ILE 5 HG23 ILE 5 44.859 8.376 11.727 47 HD11 ILE 5 HD11 ILE 5 43.030 8.187 14.745 48 HD12 ILE 5 HD12 ILE 5 42.176 8.079 13.215 49 HD13 ILE 5 HD13 ILE 5 43.802 8.746 13.264 50 H ILE 6 HN ILE 6 40.727 7.745 11.847 51 HA ILE 6 HA ILE 6 39.567 5.330 13.077 52 HB ILE 6 HB ILE 6 37.605 7.161 13.377 53 HG12 ILE 6 HG13 ILE 6 40.048 8.936 13.319 54 HG13 ILE 6 HG12 ILE 6 39.047 8.735 11.886 55 HG21 ILE 6 HG21 ILE 6 40.210 7.008 14.906 56 HG22 ILE 6 HG22 ILE 6 38.703 6.162 15.262 57 HG23 ILE 6 HG23 ILE 6 38.804 7.909 15.474 58 HD11 ILE 6 HD11 ILE 6 38.459 10.700 13.406 59 HD12 ILE 6 HD12 ILE 6 37.893 9.501 14.569 60 HD13 ILE 6 HD13 ILE 6 37.129 9.622 12.983 61 H GLY 7 HN GLY 7 38.543 7.685 10.584 62 HA2 GLY 7 HA3 GLY 7 36.320 6.176 9.655 63 HA3 GLY 7 HA2 GLY 7 37.203 7.362 8.685 64 H GLY 8 HN GLY 8 39.454 5.288 9.750 65 HA2 GLY 8 HA3 GLY 8 39.573 3.862 7.163 66 HA3 GLY 8 HA2 GLY 8 40.829 3.861 8.408 67 H LEU 9 HN LEU 9 39.142 3.187 10.600 68 HA LEU 9 HA LEU 9 38.176 0.439 9.900 69 HB2 LEU 9 HB3 LEU 9 39.047 -0.059 12.357 70 HB3 LEU 9 HB2 LEU 9 40.150 -0.157 10.989 71 HG LEU 9 HG LEU 9 39.850 2.530 12.288 72 HD11 LEU 9 HD11 LEU 9 41.646 1.862 13.956 73 HD12 LEU 9 HD12 LEU 9 41.273 0.183 13.566 74 HD13 LEU 9 HD13 LEU 9 40.038 1.216 14.285 75 HD21 LEU 9 HD21 LEU 9 41.361 2.259 10.380 76 HD22 LEU 9 HD22 LEU 9 42.193 0.933 11.192 77 HD23 LEU 9 HD23 LEU 9 42.311 2.571 11.831 78 H PHE 10 HN PHE 10 38.057 3.236 12.054 79 HA PHE 10 HA PHE 10 36.079 2.575 13.860 80 HB2 PHE 10 HB3 PHE 10 37.314 4.813 13.449 81 HB3 PHE 10 HB2 PHE 10 36.001 5.181 12.328 82 HD1 PHE 10 HD1 PHE 10 34.007 6.106 13.147 83 HD2 PHE 10 HD2 PHE 10 36.622 4.010 15.834 84 HE1 PHE 10 HE1 PHE 10 32.569 6.767 15.060 85 HE2 PHE 10 HE2 PHE 10 35.184 4.670 17.748 86 HZ PHE 10 HZ PHE 10 33.158 6.048 17.359 87 H SER 11 HN SER 11 35.713 3.188 10.414 88 HA SER 11 HA SER 11 32.886 3.485 10.319 89 HB2 SER 11 HB3 SER 11 34.213 3.954 8.347 90 HB3 SER 11 HB2 SER 11 34.828 2.299 8.313 91 HG SER 11 HG SER 11 32.311 3.315 7.624 92 H ALA 12 HN ALA 12 34.914 0.555 10.123 93 HA ALA 12 HA ALA 12 32.514 -1.160 10.154 94 HB1 ALA 12 HB1 ALA 12 34.070 -3.020 10.014 95 HB2 ALA 12 HB2 ALA 12 35.430 -1.958 10.376 96 HB3 ALA 12 HB3 ALA 12 34.565 -1.794 8.848 97 H GLY 13 HN GLY 13 35.019 0.004 12.319 98 HA2 GLY 13 HA3 GLY 13 34.716 -1.760 14.487 99 HA3 GLY 13 HA2 GLY 13 35.069 -0.033 14.672 100 H LYS 14 HN LYS 14 32.783 1.055 13.540 101 HA LYS 14 HA LYS 14 30.919 1.034 15.699 102 HB2 LYS 14 HB3 LYS 14 30.672 1.843 12.794 103 HB3 LYS 14 HB2 LYS 14 29.335 2.022 13.932 104 HG2 LYS 14 HG3 LYS 14 30.515 3.572 15.269 105 HG3 LYS 14 HG2 LYS 14 32.075 3.122 14.572 106 HD2 LYS 14 HD3 LYS 14 31.377 5.272 13.659 107 HD3 LYS 14 HD2 LYS 14 31.325 4.055 12.384 108 HE2 LYS 14 HE3 LYS 14 28.952 3.878 12.510 109 HE3 LYS 14 HE2 LYS 14 28.895 4.758 14.037 110 HZ1 LYS 14 HZ1 LYS 14 30.183 6.432 12.285 111 HZ2 LYS 14 HZ2 LYS 14 28.583 6.579 12.837 112 HZ3 LYS 14 HZ3 LYS 14 28.911 5.770 11.379 113 H ALA 15 HN ALA 15 30.842 -0.615 12.546 114 HA ALA 15 HA ALA 15 28.387 -2.014 12.871 115 HB1 ALA 15 HB1 ALA 15 30.877 -2.977 11.444 116 HB2 ALA 15 HB2 ALA 15 29.682 -1.888 10.741 117 HB3 ALA 15 HB3 ALA 15 29.229 -3.538 11.168 118 H ILE 16 HN ILE 16 31.705 -2.813 13.880 119 HA ILE 16 HA ILE 16 30.873 -5.430 14.871 120 HB ILE 16 HB ILE 16 33.395 -3.769 15.049 121 HG12 ILE 16 HG13 ILE 16 34.350 -5.953 14.164 122 HG13 ILE 16 HG12 ILE 16 32.693 -6.532 14.021 123 HG21 ILE 16 HG21 ILE 16 32.702 -6.177 16.747 124 HG22 ILE 16 HG22 ILE 16 33.316 -4.613 17.282 125 HG23 ILE 16 HG23 ILE 16 34.370 -5.719 16.403 126 HD11 ILE 16 HD11 ILE 16 32.158 -4.670 12.510 127 HD12 ILE 16 HD12 ILE 16 33.528 -5.585 11.888 128 HD13 ILE 16 HD13 ILE 16 33.795 -4.039 12.692 129 H HIS 17 HN HIS 17 31.118 -2.169 16.023 130 HA HIS 17 HA HIS 17 30.786 -2.842 18.828 131 HB2 HIS 17 HB3 HIS 17 31.206 -0.620 19.111 132 HB3 HIS 17 HB2 HIS 17 31.309 -0.473 17.371 133 HD1 HIS 17 HD1 HIS 17 29.299 0.598 16.138 134 HD2 HIS 17 HD2 HIS 17 28.667 0.090 20.222 135 HE1 HIS 17 HE1 HIS 17 27.196 1.884 16.693 136 HE2 HIS 17 HE2 HIS 17 26.805 1.602 19.186 137 H ARG 18 HN ARG 18 28.816 -3.027 16.136 138 HA ARG 18 HA ARG 18 26.291 -2.629 17.659 139 HB2 ARG 18 HB3 ARG 18 26.902 -3.111 14.740 140 HB3 ARG 18 HB2 ARG 18 25.268 -3.230 15.392 141 HG2 ARG 18 HG3 ARG 18 25.347 -0.947 16.179 142 HG3 ARG 18 HG2 ARG 18 27.049 -0.808 15.744 143 HD2 ARG 18 HD3 ARG 18 25.139 0.108 14.114 144 HD3 ARG 18 HD2 ARG 18 26.597 -0.642 13.469 145 HE ARG 18 HE ARG 18 24.551 -2.617 13.952 146 HH11 ARG 18 HH11 ARG 18 23.547 -3.503 12.132 147 HH12 ARG 18 HH12 ARG 18 23.662 -2.682 10.611 148 HH21 ARG 18 HH21 ARG 18 25.579 -0.076 11.861 149 HH22 ARG 18 HH22 ARG 18 24.813 -0.743 10.458 150 H LEU 19 HN LEU 19 28.389 -5.078 16.364 151 HA LEU 19 HA LEU 19 26.589 -7.299 16.507 152 HB2 LEU 19 HB3 LEU 19 28.558 -7.850 15.383 153 HB3 LEU 19 HB2 LEU 19 29.560 -6.890 16.462 154 HG LEU 19 HG LEU 19 29.321 -8.634 18.221 155 HD11 LEU 19 HD11 LEU 19 27.062 -9.460 17.273 156 HD12 LEU 19 HD12 LEU 19 28.192 -10.699 17.810 157 HD13 LEU 19 HD13 LEU 19 28.017 -10.351 16.091 158 HD21 LEU 19 HD21 LEU 19 30.834 -10.181 17.229 159 HD22 LEU 19 HD22 LEU 19 31.125 -8.647 16.409 160 HD23 LEU 19 HD23 LEU 19 30.177 -9.905 15.616 161 H ILE 20 HN ILE 20 28.686 -5.682 18.852 162 HA ILE 20 HA ILE 20 28.127 -7.535 21.019 163 HB ILE 20 HB ILE 20 29.868 -6.348 21.909 164 HG12 ILE 20 HG13 ILE 20 28.012 -3.936 21.988 165 HG13 ILE 20 HG12 ILE 20 28.083 -5.186 23.229 166 HG21 ILE 20 HG21 ILE 20 30.739 -4.335 20.793 167 HG22 ILE 20 HG22 ILE 20 29.247 -4.224 19.876 168 HG23 ILE 20 HG23 ILE 20 30.326 -5.583 19.622 169 HD11 ILE 20 HD11 ILE 20 30.594 -4.627 23.375 170 HD12 ILE 20 HD12 ILE 20 29.469 -3.440 24.038 171 HD13 ILE 20 HD13 ILE 20 30.197 -3.177 22.453 172 H ARG 21 HN ARG 21 26.812 -4.357 20.132 173 HA ARG 21 HA ARG 21 24.921 -4.156 22.212 174 HB2 ARG 21 HB3 ARG 21 24.774 -3.167 19.356 175 HB3 ARG 21 HB2 ARG 21 23.637 -2.696 20.621 176 HG2 ARG 21 HG3 ARG 21 25.433 -1.750 21.954 177 HG3 ARG 21 HG2 ARG 21 26.636 -2.329 20.807 178 HD2 ARG 21 HD3 ARG 21 26.274 -0.013 20.319 179 HD3 ARG 21 HD2 ARG 21 25.471 -0.933 19.046 180 HE ARG 21 HE ARG 21 23.385 -0.193 19.884 181 HH11 ARG 21 HH11 ARG 21 22.133 1.100 21.250 182 HH12 ARG 21 HH12 ARG 21 22.861 1.819 22.648 183 HH21 ARG 21 HH21 ARG 21 25.995 0.466 22.038 184 HH22 ARG 21 HH22 ARG 21 25.048 1.461 23.094 185 H ARG 22 HN ARG 22 24.766 -5.800 19.104 186 HA ARG 22 HA ARG 22 22.003 -6.641 19.417 187 HB2 ARG 22 HB3 ARG 22 24.285 -7.500 17.630 188 HB3 ARG 22 HB2 ARG 22 22.760 -8.387 17.643 189 HG2 ARG 22 HG3 ARG 22 21.536 -6.335 17.083 190 HG3 ARG 22 HG2 ARG 22 23.041 -5.414 17.114 191 HD2 ARG 22 HD3 ARG 22 22.263 -6.133 14.806 192 HD3 ARG 22 HD2 ARG 22 23.910 -6.607 15.225 193 HE ARG 22 HE ARG 22 22.067 -8.694 15.947 194 HH11 ARG 22 HH11 ARG 22 22.015 -10.531 14.630 195 HH12 ARG 22 HH12 ARG 22 22.679 -10.454 13.032 196 HH21 ARG 22 HH21 ARG 22 23.616 -7.125 13.296 197 HH22 ARG 22 HH22 ARG 22 23.582 -8.525 12.276 198 H ARG 23 HN ARG 23 24.993 -7.553 20.761 199 HA ARG 23 HA ARG 23 24.032 -10.266 21.521 200 HB2 ARG 23 HB3 ARG 23 26.428 -9.738 20.644 201 HB3 ARG 23 HB2 ARG 23 26.713 -9.078 22.252 202 HG2 ARG 23 HG3 ARG 23 27.357 -11.282 22.620 203 HG3 ARG 23 HG2 ARG 23 25.650 -11.405 23.033 204 HD2 ARG 23 HD3 ARG 23 25.280 -11.985 20.542 205 HD3 ARG 23 HD2 ARG 23 27.022 -12.241 20.477 206 HE ARG 23 HE ARG 23 26.041 -13.702 22.695 207 HH11 ARG 23 HH11 ARG 23 25.651 -15.916 22.482 208 HH12 ARG 23 HH12 ARG 23 25.407 -16.591 20.905 209 HH21 ARG 23 HH21 ARG 23 25.777 -13.559 19.261 210 HH22 ARG 23 HH22 ARG 23 25.477 -15.255 19.081 211 H ARG 24 HN ARG 24 22.950 -7.676 22.659 212 HA ARG 24 HA ARG 24 23.949 -7.257 25.287 213 HB2 ARG 24 HB3 ARG 24 21.291 -6.812 23.941 214 HB3 ARG 24 HB2 ARG 24 21.383 -6.649 25.695 215 HG2 ARG 24 HG3 ARG 24 23.025 -4.915 25.543 216 HG3 ARG 24 HG2 ARG 24 23.290 -5.221 23.828 217 HD2 ARG 24 HD3 ARG 24 20.727 -4.177 25.069 218 HD3 ARG 24 HD2 ARG 24 21.883 -3.229 24.133 219 HE ARG 24 HE ARG 24 21.201 -5.285 22.416 220 HH11 ARG 24 HH11 ARG 24 19.462 -5.148 20.976 221 HH12 ARG 24 HH12 ARG 24 18.137 -4.092 21.337 222 HH21 ARG 24 HH21 ARG 24 19.491 -2.982 24.330 223 HH22 ARG 24 HH22 ARG 24 18.152 -2.869 23.237 224 H ARG 25 HN ARG 25 24.471 -9.359 26.054 225 HA ARG 25 HA ARG 25 22.711 -11.566 26.204 226 HB2 ARG 25 HB3 ARG 25 24.899 -10.785 28.155 227 HB3 ARG 25 HB2 ARG 25 24.187 -12.390 27.998 228 HG2 ARG 25 HG3 ARG 25 24.906 -12.342 25.558 229 HG3 ARG 25 HG2 ARG 25 25.839 -10.896 25.949 230 HD2 ARG 25 HD3 ARG 25 27.338 -12.763 26.152 231 HD3 ARG 25 HD2 ARG 25 26.951 -12.242 27.791 232 HE ARG 25 HE ARG 25 25.067 -14.229 27.111 233 HH11 ARG 25 HH11 ARG 25 25.398 -16.368 27.763 234 HH12 ARG 25 HH12 ARG 25 27.001 -16.904 28.145 235 HH21 ARG 25 HH21 ARG 25 28.472 -13.835 27.487 236 HH22 ARG 25 HH22 ARG 25 28.739 -15.472 27.987 Start of MODEL 2 1 H1 PHE 1 H1 PHE 1 45.782 6.988 17.879 2 H2 PHE 1 H2 PHE 1 45.015 7.098 16.367 3 H3 PHE 1 H3 PHE 1 44.819 5.708 17.324 4 HA PHE 1 HA PHE 1 42.842 6.852 17.653 5 HB2 PHE 1 HB3 PHE 1 44.726 7.764 19.850 6 HB3 PHE 1 HB2 PHE 1 42.972 7.645 19.974 7 HD1 PHE 1 HD1 PHE 1 46.078 5.669 19.421 8 HD2 PHE 1 HD2 PHE 1 41.908 5.565 20.444 9 HE1 PHE 1 HE1 PHE 1 46.292 3.280 20.055 10 HE2 PHE 1 HE2 PHE 1 42.122 3.177 21.076 11 HZ PHE 1 HZ PHE 1 44.315 2.035 20.882 12 H ILE 2 HN ILE 2 44.635 8.551 15.909 13 HA ILE 2 HA ILE 2 44.396 11.260 16.935 14 HB ILE 2 HB ILE 2 44.875 10.349 14.081 15 HG12 ILE 2 HG13 ILE 2 46.880 11.013 16.259 16 HG13 ILE 2 HG12 ILE 2 46.487 9.379 15.723 17 HG21 ILE 2 HG21 ILE 2 44.243 12.840 14.720 18 HG22 ILE 2 HG22 ILE 2 45.590 12.536 13.630 19 HG23 ILE 2 HG23 ILE 2 45.894 12.899 15.328 20 HD11 ILE 2 HD11 ILE 2 47.105 10.160 13.366 21 HD12 ILE 2 HD12 ILE 2 48.441 9.991 14.504 22 HD13 ILE 2 HD13 ILE 2 47.796 11.590 14.133 23 H HIS 3 HN HIS 3 43.263 10.924 13.684 24 HA HIS 3 HA HIS 3 40.428 11.001 14.431 25 HB2 HIS 3 HB3 HIS 3 40.044 13.212 13.400 26 HB3 HIS 3 HB2 HIS 3 41.100 13.323 14.804 27 HD1 HIS 3 HD1 HIS 3 41.307 15.582 12.849 28 HD2 HIS 3 HD2 HIS 3 43.610 12.124 12.437 29 HE1 HIS 3 HE1 HIS 3 43.316 16.211 11.442 30 HE2 HIS 3 HE2 HIS 3 44.709 14.113 11.173 31 H HIS 4 HN HIS 4 42.921 10.509 12.196 32 HA HIS 4 HA HIS 4 40.990 10.139 9.934 33 HB2 HIS 4 HB3 HIS 4 42.823 10.365 8.435 34 HB3 HIS 4 HB2 HIS 4 43.044 11.639 9.630 35 HD1 HIS 4 HD1 HIS 4 45.338 11.739 10.608 36 HD2 HIS 4 HD2 HIS 4 44.399 7.913 9.251 37 HE1 HIS 4 HE1 HIS 4 47.418 10.330 10.952 38 HE2 HIS 4 HE2 HIS 4 46.861 7.997 10.123 39 H ILE 5 HN ILE 5 42.862 8.520 12.273 40 HA ILE 5 HA ILE 5 43.115 6.042 10.725 41 HB ILE 5 HB ILE 5 44.228 5.144 12.608 42 HG12 ILE 5 HG13 ILE 5 42.581 5.600 14.359 43 HG13 ILE 5 HG12 ILE 5 44.150 6.210 14.866 44 HG21 ILE 5 HG21 ILE 5 45.455 6.990 11.529 45 HG22 ILE 5 HG22 ILE 5 45.839 6.889 13.247 46 HG23 ILE 5 HG23 ILE 5 44.734 8.134 12.663 47 HD11 ILE 5 HD11 ILE 5 43.455 8.483 14.011 48 HD12 ILE 5 HD12 ILE 5 42.518 7.900 15.384 49 HD13 ILE 5 HD13 ILE 5 41.846 7.820 13.767 50 H ILE 6 HN ILE 6 40.583 7.643 12.090 51 HA ILE 6 HA ILE 6 39.188 5.244 13.128 52 HB ILE 6 HB ILE 6 37.293 7.166 13.262 53 HG12 ILE 6 HG13 ILE 6 39.790 8.820 13.633 54 HG13 ILE 6 HG12 ILE 6 39.026 8.714 12.053 55 HG21 ILE 6 HG21 ILE 6 38.092 6.022 15.219 56 HG22 ILE 6 HG22 ILE 6 38.232 7.752 15.531 57 HG23 ILE 6 HG23 ILE 6 39.664 6.814 15.108 58 HD11 ILE 6 HD11 ILE 6 37.001 9.663 12.856 59 HD12 ILE 6 HD12 ILE 6 38.284 10.651 13.552 60 HD13 ILE 6 HD13 ILE 6 37.474 9.434 14.538 61 H GLY 7 HN GLY 7 38.573 7.759 10.658 62 HA2 GLY 7 HA3 GLY 7 36.436 6.384 9.378 63 HA3 GLY 7 HA2 GLY 7 37.452 7.606 8.603 64 H GLY 8 HN GLY 8 39.460 5.319 9.810 65 HA2 GLY 8 HA3 GLY 8 39.804 4.049 7.141 66 HA3 GLY 8 HA2 GLY 8 40.984 4.024 8.457 67 H LEU 9 HN LEU 9 38.992 3.319 10.473 68 HA LEU 9 HA LEU 9 38.210 0.551 9.657 69 HB2 LEU 9 HB3 LEU 9 38.991 -0.258 11.883 70 HB3 LEU 9 HB2 LEU 9 40.306 0.328 10.869 71 HG LEU 9 HG LEU 9 39.617 2.648 12.192 72 HD11 LEU 9 HD11 LEU 9 39.149 2.227 14.488 73 HD12 LEU 9 HD12 LEU 9 39.436 0.496 14.309 74 HD13 LEU 9 HD13 LEU 9 38.003 1.229 13.596 75 HD21 LEU 9 HD21 LEU 9 41.596 2.224 13.614 76 HD22 LEU 9 HD22 LEU 9 41.897 1.744 11.944 77 HD23 LEU 9 HD23 LEU 9 41.552 0.519 13.164 78 H PHE 10 HN PHE 10 37.808 3.312 11.800 79 HA PHE 10 HA PHE 10 35.749 2.569 13.479 80 HB2 PHE 10 HB3 PHE 10 36.886 4.847 13.173 81 HB3 PHE 10 HB2 PHE 10 35.707 5.147 11.894 82 HD1 PHE 10 HD1 PHE 10 33.693 6.175 12.496 83 HD2 PHE 10 HD2 PHE 10 35.850 3.893 15.427 84 HE1 PHE 10 HE1 PHE 10 32.024 6.812 14.219 85 HE2 PHE 10 HE2 PHE 10 34.179 4.529 17.151 86 HZ PHE 10 HZ PHE 10 32.267 5.989 16.546 87 H SER 11 HN SER 11 35.628 2.911 10.004 88 HA SER 11 HA SER 11 32.805 3.191 9.675 89 HB2 SER 11 HB3 SER 11 33.197 2.302 7.395 90 HB3 SER 11 HB2 SER 11 34.397 3.522 7.823 91 HG SER 11 HG SER 11 34.679 0.822 7.364 92 H ALA 12 HN ALA 12 34.832 0.235 9.583 93 HA ALA 12 HA ALA 12 32.434 -1.459 9.701 94 HB1 ALA 12 HB1 ALA 12 34.291 -2.357 8.451 95 HB2 ALA 12 HB2 ALA 12 34.138 -3.317 9.922 96 HB3 ALA 12 HB3 ALA 12 35.396 -2.086 9.799 97 H GLY 13 HN GLY 13 34.934 -0.231 11.842 98 HA2 GLY 13 HA3 GLY 13 34.591 -1.882 14.082 99 HA3 GLY 13 HA2 GLY 13 34.942 -0.150 14.195 100 H LYS 14 HN LYS 14 32.652 0.871 12.983 101 HA LYS 14 HA LYS 14 30.780 0.992 15.123 102 HB2 LYS 14 HB3 LYS 14 30.564 1.581 12.165 103 HB3 LYS 14 HB2 LYS 14 29.184 1.791 13.245 104 HG2 LYS 14 HG3 LYS 14 30.242 3.492 14.480 105 HG3 LYS 14 HG2 LYS 14 31.854 3.024 13.930 106 HD2 LYS 14 HD3 LYS 14 30.999 5.122 12.850 107 HD3 LYS 14 HD2 LYS 14 31.392 3.847 11.697 108 HE2 LYS 14 HE3 LYS 14 29.105 3.304 11.353 109 HE3 LYS 14 HE2 LYS 14 28.595 4.205 12.780 110 HZ1 LYS 14 HZ1 LYS 14 28.131 5.440 10.764 111 HZ2 LYS 14 HZ2 LYS 14 29.768 5.372 10.313 112 HZ3 LYS 14 HZ3 LYS 14 29.299 6.247 11.692 113 H ALA 15 HN ALA 15 30.670 -0.883 12.097 114 HA ALA 15 HA ALA 15 28.241 -2.275 12.582 115 HB1 ALA 15 HB1 ALA 15 29.325 -2.364 10.401 116 HB2 ALA 15 HB2 ALA 15 29.174 -4.002 11.039 117 HB3 ALA 15 HB3 ALA 15 30.727 -3.170 11.102 118 H ILE 16 HN ILE 16 31.594 -2.992 13.547 119 HA ILE 16 HA ILE 16 30.799 -5.527 14.754 120 HB ILE 16 HB ILE 16 33.321 -3.839 14.886 121 HG12 ILE 16 HG13 ILE 16 34.227 -6.092 13.938 122 HG13 ILE 16 HG12 ILE 16 32.538 -6.477 13.628 123 HG21 ILE 16 HG21 ILE 16 33.244 -4.782 17.068 124 HG22 ILE 16 HG22 ILE 16 34.276 -5.873 16.142 125 HG23 ILE 16 HG23 ILE 16 32.600 -6.311 16.470 126 HD11 ILE 16 HD11 ILE 16 33.937 -3.979 12.634 127 HD12 ILE 16 HD12 ILE 16 32.301 -4.500 12.226 128 HD13 ILE 16 HD13 ILE 16 33.687 -5.433 11.670 129 H HIS 17 HN HIS 17 31.007 -2.189 15.662 130 HA HIS 17 HA HIS 17 30.808 -2.665 18.518 131 HB2 HIS 17 HB3 HIS 17 31.177 -0.419 18.628 132 HB3 HIS 17 HB2 HIS 17 31.219 -0.401 16.878 133 HD1 HIS 17 HD1 HIS 17 29.157 0.541 15.639 134 HD2 HIS 17 HD2 HIS 17 28.664 0.321 19.767 135 HE1 HIS 17 HE1 HIS 17 27.025 1.793 16.163 136 HE2 HIS 17 HE2 HIS 17 26.718 1.690 18.683 137 H ARG 18 HN ARG 18 28.732 -3.107 15.942 138 HA ARG 18 HA ARG 18 26.263 -2.653 17.534 139 HB2 ARG 18 HB3 ARG 18 26.744 -3.366 14.639 140 HB3 ARG 18 HB2 ARG 18 25.144 -3.407 15.385 141 HG2 ARG 18 HG3 ARG 18 25.297 -1.067 15.988 142 HG3 ARG 18 HG2 ARG 18 26.965 -0.990 15.420 143 HD2 ARG 18 HD3 ARG 18 24.983 -0.162 13.861 144 HD3 ARG 18 HD2 ARG 18 26.347 -1.042 13.173 145 HE ARG 18 HE ARG 18 24.543 -3.035 13.837 146 HH11 ARG 18 HH11 ARG 18 22.977 -3.780 12.385 147 HH12 ARG 18 HH12 ARG 18 22.429 -2.737 11.116 148 HH21 ARG 18 HH21 ARG 18 24.476 -0.095 12.040 149 HH22 ARG 18 HH22 ARG 18 23.277 -0.651 10.920 150 H LEU 19 HN LEU 19 28.351 -5.152 16.322 151 HA LEU 19 HA LEU 19 26.601 -7.377 16.750 152 HB2 LEU 19 HB3 LEU 19 28.527 -7.962 15.556 153 HB3 LEU 19 HB2 LEU 19 29.567 -6.949 16.544 154 HG LEU 19 HG LEU 19 29.400 -8.589 18.399 155 HD11 LEU 19 HD11 LEU 19 27.943 -10.358 16.409 156 HD12 LEU 19 HD12 LEU 19 27.107 -9.457 17.669 157 HD13 LEU 19 HD13 LEU 19 28.273 -10.701 18.105 158 HD21 LEU 19 HD21 LEU 19 30.744 -10.338 17.344 159 HD22 LEU 19 HD22 LEU 19 31.191 -8.764 16.684 160 HD23 LEU 19 HD23 LEU 19 30.164 -9.853 15.750 161 H ILE 20 HN ILE 20 28.807 -5.561 18.833 162 HA ILE 20 HA ILE 20 28.396 -7.220 21.176 163 HB ILE 20 HB ILE 20 30.164 -5.930 21.854 164 HG12 ILE 20 HG13 ILE 20 28.258 -3.554 21.852 165 HG13 ILE 20 HG12 ILE 20 28.423 -4.701 23.181 166 HG21 ILE 20 HG21 ILE 20 30.491 -5.352 19.511 167 HG22 ILE 20 HG22 ILE 20 30.878 -3.963 20.523 168 HG23 ILE 20 HG23 ILE 20 29.343 -4.037 19.672 169 HD11 ILE 20 HD11 ILE 20 30.872 -4.092 23.265 170 HD12 ILE 20 HD12 ILE 20 29.782 -2.773 23.687 171 HD13 ILE 20 HD13 ILE 20 30.532 -2.821 22.092 172 H ARG 21 HN ARG 21 26.981 -4.117 20.137 173 HA ARG 21 HA ARG 21 25.193 -3.789 22.278 174 HB2 ARG 21 HB3 ARG 21 24.850 -3.085 19.353 175 HB3 ARG 21 HB2 ARG 21 23.763 -2.532 20.631 176 HG2 ARG 21 HG3 ARG 21 25.545 -1.366 21.749 177 HG3 ARG 21 HG2 ARG 21 26.755 -2.081 20.686 178 HD2 ARG 21 HD3 ARG 21 25.954 0.343 20.200 179 HD3 ARG 21 HD2 ARG 21 26.095 -0.780 18.852 180 HE ARG 21 HE ARG 21 23.437 -0.778 20.045 181 HH11 ARG 21 HH11 ARG 21 21.788 0.070 18.751 182 HH12 ARG 21 HH12 ARG 21 22.199 1.005 17.352 183 HH21 ARG 21 HH21 ARG 21 25.620 0.723 17.839 184 HH22 ARG 21 HH22 ARG 21 24.368 1.376 16.838 185 H ARG 22 HN ARG 22 24.857 -5.649 19.298 186 HA ARG 22 HA ARG 22 22.188 -6.603 19.830 187 HB2 ARG 22 HB3 ARG 22 24.481 -7.632 18.146 188 HB3 ARG 22 HB2 ARG 22 22.985 -8.552 18.306 189 HG2 ARG 22 HG3 ARG 22 21.699 -6.605 17.499 190 HG3 ARG 22 HG2 ARG 22 23.196 -5.688 17.330 191 HD2 ARG 22 HD3 ARG 22 22.372 -6.743 15.188 192 HD3 ARG 22 HD2 ARG 22 24.017 -7.191 15.639 193 HE ARG 22 HE ARG 22 22.249 -9.122 16.747 194 HH11 ARG 22 HH11 ARG 22 21.995 -11.104 15.684 195 HH12 ARG 22 HH12 ARG 22 22.407 -11.228 14.005 196 HH21 ARG 22 HH21 ARG 22 23.372 -7.909 13.725 197 HH22 ARG 22 HH22 ARG 22 23.187 -9.418 12.895 198 H ARG 23 HN ARG 23 25.286 -7.260 21.129 199 HA ARG 23 HA ARG 23 24.410 -9.813 22.395 200 HB2 ARG 23 HB3 ARG 23 26.716 -9.468 21.249 201 HB3 ARG 23 HB2 ARG 23 27.127 -8.515 22.671 202 HG2 ARG 23 HG3 ARG 23 27.839 -10.607 23.392 203 HG3 ARG 23 HG2 ARG 23 26.174 -10.653 23.967 204 HD2 ARG 23 HD3 ARG 23 25.517 -11.799 21.844 205 HD3 ARG 23 HD2 ARG 23 27.215 -11.825 21.369 206 HE ARG 23 HE ARG 23 26.800 -13.019 23.983 207 HH11 ARG 23 HH11 ARG 23 27.081 -15.260 24.102 208 HH12 ARG 23 HH12 ARG 23 27.095 -16.196 22.646 209 HH21 ARG 23 HH21 ARG 23 26.619 -13.462 20.568 210 HH22 ARG 23 HH22 ARG 23 26.833 -15.179 20.646 211 H ARG 24 HN ARG 24 23.246 -7.245 23.208 212 HA ARG 24 HA ARG 24 24.454 -6.156 25.527 213 HB2 ARG 24 HB3 ARG 24 21.985 -5.654 26.169 214 HB3 ARG 24 HB2 ARG 24 22.618 -4.947 24.683 215 HG2 ARG 24 HG3 ARG 24 21.528 -6.553 23.317 216 HG3 ARG 24 HG2 ARG 24 21.203 -7.616 24.687 217 HD2 ARG 24 HD3 ARG 24 20.045 -4.833 24.422 218 HD3 ARG 24 HD2 ARG 24 19.202 -6.292 23.902 219 HE ARG 24 HE ARG 24 19.634 -5.442 26.677 220 HH11 ARG 24 HH11 ARG 24 18.633 -6.738 28.233 221 HH12 ARG 24 HH12 ARG 24 18.010 -8.290 27.780 222 HH21 ARG 24 HH21 ARG 24 18.973 -8.000 24.460 223 HH22 ARG 24 HH22 ARG 24 18.204 -9.005 25.643 224 H ARG 25 HN ARG 25 25.342 -8.060 26.580 225 HA ARG 25 HA ARG 25 23.812 -10.252 27.539 226 HB2 ARG 25 HB3 ARG 25 25.648 -10.558 29.177 227 HB3 ARG 25 HB2 ARG 25 26.269 -10.245 27.555 228 HG2 ARG 25 HG3 ARG 25 26.388 -7.783 28.215 229 HG3 ARG 25 HG2 ARG 25 26.085 -8.308 29.871 230 HD2 ARG 25 HD3 ARG 25 28.348 -9.373 28.162 231 HD3 ARG 25 HD2 ARG 25 28.528 -8.047 29.309 232 HE ARG 25 HE ARG 25 28.245 -10.880 29.988 233 HH11 ARG 25 HH11 ARG 25 28.394 -11.349 32.194 234 HH12 ARG 25 HH12 ARG 25 28.279 -10.063 33.349 235 HH21 ARG 25 HH21 ARG 25 27.870 -7.591 30.952 236 HH22 ARG 25 HH22 ARG 25 27.981 -7.936 32.645 Start of MODEL 3 1 H1 PHE 1 H1 PHE 1 45.681 5.867 16.133 2 H2 PHE 1 H2 PHE 1 46.718 6.911 16.983 3 H3 PHE 1 H3 PHE 1 46.104 7.368 15.466 4 HA PHE 1 HA PHE 1 43.813 7.009 16.678 5 HB2 PHE 1 HB3 PHE 1 45.825 7.664 18.846 6 HB3 PHE 1 HB2 PHE 1 44.089 7.916 19.023 7 HD1 PHE 1 HD1 PHE 1 46.695 5.332 18.374 8 HD2 PHE 1 HD2 PHE 1 42.622 6.101 19.507 9 HE1 PHE 1 HE1 PHE 1 46.411 2.944 18.982 10 HE2 PHE 1 HE2 PHE 1 42.340 3.712 20.115 11 HZ PHE 1 HZ PHE 1 44.234 2.134 19.851 12 H ILE 2 HN ILE 2 45.066 8.629 14.753 13 HA ILE 2 HA ILE 2 45.181 11.369 15.857 14 HB ILE 2 HB ILE 2 45.447 10.424 12.984 15 HG12 ILE 2 HG13 ILE 2 47.518 10.955 15.133 16 HG13 ILE 2 HG12 ILE 2 47.176 9.409 14.356 17 HG21 ILE 2 HG21 ILE 2 46.255 12.590 12.486 18 HG22 ILE 2 HG22 ILE 2 46.522 12.981 14.183 19 HG23 ILE 2 HG23 ILE 2 44.887 12.912 13.544 20 HD11 ILE 2 HD11 ILE 2 47.747 10.583 12.142 21 HD12 ILE 2 HD12 ILE 2 49.093 10.246 13.229 22 HD13 ILE 2 HD13 ILE 2 48.424 11.874 13.134 23 H HIS 3 HN HIS 3 43.781 10.918 12.701 24 HA HIS 3 HA HIS 3 41.029 11.256 13.670 25 HB2 HIS 3 HB3 HIS 3 40.706 13.391 12.472 26 HB3 HIS 3 HB2 HIS 3 41.886 13.546 13.769 27 HD1 HIS 3 HD1 HIS 3 42.035 15.590 11.566 28 HD2 HIS 3 HD2 HIS 3 44.128 11.984 11.357 29 HE1 HIS 3 HE1 HIS 3 43.957 15.958 9.959 30 HE2 HIS 3 HE2 HIS 3 45.215 13.766 9.806 31 H HIS 4 HN HIS 4 43.292 10.444 11.259 32 HA HIS 4 HA HIS 4 41.151 10.041 9.210 33 HB2 HIS 4 HB3 HIS 4 42.887 9.925 7.573 34 HB3 HIS 4 HB2 HIS 4 43.288 11.295 8.606 35 HD1 HIS 4 HD1 HIS 4 45.637 11.296 9.453 36 HD2 HIS 4 HD2 HIS 4 44.315 7.449 8.557 37 HE1 HIS 4 HE1 HIS 4 47.610 9.755 9.850 38 HE2 HIS 4 HE2 HIS 4 46.818 7.406 9.306 39 H ILE 5 HN ILE 5 42.883 8.456 11.612 40 HA ILE 5 HA ILE 5 42.830 5.822 10.278 41 HB ILE 5 HB ILE 5 44.054 5.007 12.128 42 HG12 ILE 5 HG13 ILE 5 42.644 5.783 13.974 43 HG13 ILE 5 HG12 ILE 5 44.305 6.279 14.265 44 HG21 ILE 5 HG21 ILE 5 45.353 6.586 10.775 45 HG22 ILE 5 HG22 ILE 5 45.859 6.663 12.460 46 HG23 ILE 5 HG23 ILE 5 44.823 7.924 11.795 47 HD11 ILE 5 HD11 ILE 5 42.884 8.159 14.764 48 HD12 ILE 5 HD12 ILE 5 42.055 8.007 13.222 49 HD13 ILE 5 HD13 ILE 5 43.738 8.523 13.267 50 H ILE 6 HN ILE 6 40.584 7.776 11.676 51 HA ILE 6 HA ILE 6 39.159 5.642 13.150 52 HB ILE 6 HB ILE 6 37.428 7.707 13.258 53 HG12 ILE 6 HG13 ILE 6 40.066 9.168 13.083 54 HG13 ILE 6 HG12 ILE 6 39.056 8.967 11.658 55 HG21 ILE 6 HG21 ILE 6 39.994 7.372 14.826 56 HG22 ILE 6 HG22 ILE 6 38.393 6.764 15.241 57 HG23 ILE 6 HG23 ILE 6 38.719 8.497 15.295 58 HD11 ILE 6 HD11 ILE 6 38.610 11.107 12.837 59 HD12 ILE 6 HD12 ILE 6 38.133 10.192 14.267 60 HD13 ILE 6 HD13 ILE 6 37.189 10.065 12.783 61 H GLY 7 HN GLY 7 38.176 7.955 10.590 62 HA2 GLY 7 HA3 GLY 7 35.938 6.421 9.747 63 HA3 GLY 7 HA2 GLY 7 36.761 7.625 8.750 64 H GLY 8 HN GLY 8 39.039 5.499 9.748 65 HA2 GLY 8 HA3 GLY 8 38.971 4.027 7.153 66 HA3 GLY 8 HA2 GLY 8 40.384 4.201 8.202 67 H LEU 9 HN LEU 9 38.985 3.591 10.638 68 HA LEU 9 HA LEU 9 38.418 0.667 10.287 69 HB2 LEU 9 HB3 LEU 9 40.508 0.830 11.429 70 HB3 LEU 9 HB2 LEU 9 39.973 2.211 12.381 71 HG LEU 9 HG LEU 9 38.442 0.798 13.642 72 HD11 LEU 9 HD11 LEU 9 38.630 -1.734 13.230 73 HD12 LEU 9 HD12 LEU 9 39.377 -1.317 11.688 74 HD13 LEU 9 HD13 LEU 9 37.723 -0.818 12.030 75 HD21 LEU 9 HD21 LEU 9 40.088 -0.587 14.805 76 HD22 LEU 9 HD22 LEU 9 40.833 0.943 14.340 77 HD23 LEU 9 HD23 LEU 9 41.165 -0.518 13.409 78 H PHE 10 HN PHE 10 37.853 3.591 12.217 79 HA PHE 10 HA PHE 10 35.814 2.834 13.912 80 HB2 PHE 10 HB3 PHE 10 36.899 5.153 13.451 81 HB3 PHE 10 HB2 PHE 10 35.603 5.366 12.276 82 HD1 PHE 10 HD1 PHE 10 33.388 5.883 12.973 83 HD2 PHE 10 HD2 PHE 10 36.320 4.656 15.859 84 HE1 PHE 10 HE1 PHE 10 31.836 6.499 14.810 85 HE2 PHE 10 HE2 PHE 10 34.770 5.273 17.698 86 HZ PHE 10 HZ PHE 10 32.528 6.194 17.173 87 H SER 11 HN SER 11 35.628 3.286 10.419 88 HA SER 11 HA SER 11 32.795 3.328 10.150 89 HB2 SER 11 HB3 SER 11 33.185 2.527 7.850 90 HB3 SER 11 HB2 SER 11 34.346 3.788 8.270 91 HG SER 11 HG SER 11 34.986 1.112 8.800 92 H ALA 12 HN ALA 12 35.093 0.628 10.359 93 HA ALA 12 HA ALA 12 32.879 -1.332 10.314 94 HB1 ALA 12 HB1 ALA 12 34.650 -3.017 10.530 95 HB2 ALA 12 HB2 ALA 12 35.847 -1.748 10.780 96 HB3 ALA 12 HB3 ALA 12 35.038 -1.901 9.221 97 H GLY 13 HN GLY 13 35.105 0.225 12.548 98 HA2 GLY 13 HA3 GLY 13 34.800 -1.363 14.837 99 HA3 GLY 13 HA2 GLY 13 34.945 0.400 14.892 100 H LYS 14 HN LYS 14 32.628 1.123 13.531 101 HA LYS 14 HA LYS 14 30.640 1.039 15.575 102 HB2 LYS 14 HB3 LYS 14 30.523 1.643 12.615 103 HB3 LYS 14 HB2 LYS 14 29.077 1.703 13.626 104 HG2 LYS 14 HG3 LYS 14 29.958 3.446 14.977 105 HG3 LYS 14 HG2 LYS 14 31.598 3.197 14.367 106 HD2 LYS 14 HD3 LYS 14 30.508 5.196 13.361 107 HD3 LYS 14 HD2 LYS 14 30.932 3.980 12.155 108 HE2 LYS 14 HE3 LYS 14 28.562 5.032 12.030 109 HE3 LYS 14 HE2 LYS 14 28.695 3.279 11.897 110 HZ1 LYS 14 HZ1 LYS 14 27.053 4.462 13.587 111 HZ2 LYS 14 HZ2 LYS 14 28.427 4.377 14.582 112 HZ3 LYS 14 HZ3 LYS 14 27.767 2.960 13.915 113 H ALA 15 HN ALA 15 30.952 -0.813 12.554 114 HA ALA 15 HA ALA 15 28.634 -2.428 12.821 115 HB1 ALA 15 HB1 ALA 15 31.315 -3.139 11.610 116 HB2 ALA 15 HB2 ALA 15 29.966 -2.388 10.762 117 HB3 ALA 15 HB3 ALA 15 29.822 -4.039 11.366 118 H ILE 16 HN ILE 16 31.929 -2.829 14.131 119 HA ILE 16 HA ILE 16 31.241 -5.437 15.259 120 HB ILE 16 HB ILE 16 33.566 -3.527 15.688 121 HG12 ILE 16 HG13 ILE 16 34.787 -5.662 14.829 122 HG13 ILE 16 HG12 ILE 16 33.191 -6.204 14.325 123 HG21 ILE 16 HG21 ILE 16 33.309 -4.528 17.834 124 HG22 ILE 16 HG22 ILE 16 34.556 -5.480 17.030 125 HG23 ILE 16 HG23 ILE 16 32.909 -6.099 17.140 126 HD11 ILE 16 HD11 ILE 16 32.921 -4.269 12.895 127 HD12 ILE 16 HD12 ILE 16 34.480 -5.005 12.532 128 HD13 ILE 16 HD13 ILE 16 34.405 -3.550 13.521 129 H HIS 17 HN HIS 17 31.096 -2.091 16.169 130 HA HIS 17 HA HIS 17 30.575 -2.600 18.982 131 HB2 HIS 17 HB3 HIS 17 30.815 -0.338 19.125 132 HB3 HIS 17 HB2 HIS 17 31.037 -0.302 17.388 133 HD1 HIS 17 HD1 HIS 17 29.051 0.518 15.947 134 HD2 HIS 17 HD2 HIS 17 28.153 0.236 20.002 135 HE1 HIS 17 HE1 HIS 17 26.823 1.665 16.253 136 HE2 HIS 17 HE2 HIS 17 26.259 1.514 18.727 137 H ARG 18 HN ARG 18 28.865 -3.079 16.135 138 HA ARG 18 HA ARG 18 26.196 -2.812 17.411 139 HB2 ARG 18 HB3 ARG 18 27.122 -3.365 14.590 140 HB3 ARG 18 HB2 ARG 18 25.441 -3.594 15.086 141 HG2 ARG 18 HG3 ARG 18 25.264 -1.285 15.778 142 HG3 ARG 18 HG2 ARG 18 26.984 -1.024 15.502 143 HD2 ARG 18 HD3 ARG 18 25.285 -0.251 13.670 144 HD3 ARG 18 HD2 ARG 18 26.752 -1.091 13.168 145 HE ARG 18 HE ARG 18 24.755 -3.054 13.590 146 HH11 ARG 18 HH11 ARG 18 23.639 -3.885 11.806 147 HH12 ARG 18 HH12 ARG 18 23.570 -2.964 10.340 148 HH21 ARG 18 HH21 ARG 18 25.450 -0.333 11.594 149 HH22 ARG 18 HH22 ARG 18 24.596 -0.953 10.220 150 H LEU 19 HN LEU 19 28.597 -5.136 16.550 151 HA LEU 19 HA LEU 19 26.921 -7.475 16.620 152 HB2 LEU 19 HB3 LEU 19 29.013 -7.932 15.682 153 HB3 LEU 19 HB2 LEU 19 29.857 -6.872 16.798 154 HG LEU 19 HG LEU 19 29.566 -8.553 18.605 155 HD11 LEU 19 HD11 LEU 19 28.532 -10.408 16.440 156 HD12 LEU 19 HD12 LEU 19 27.449 -9.554 17.536 157 HD13 LEU 19 HD13 LEU 19 28.613 -10.712 18.174 158 HD21 LEU 19 HD21 LEU 19 31.064 -10.296 17.576 159 HD22 LEU 19 HD22 LEU 19 31.605 -8.639 17.314 160 HD23 LEU 19 HD23 LEU 19 30.803 -9.520 16.014 161 H ILE 20 HN ILE 20 28.698 -5.588 19.018 162 HA ILE 20 HA ILE 20 28.078 -7.346 21.250 163 HB ILE 20 HB ILE 20 29.660 -5.990 22.202 164 HG12 ILE 20 HG13 ILE 20 27.657 -3.708 21.965 165 HG13 ILE 20 HG12 ILE 20 27.701 -4.868 23.291 166 HG21 ILE 20 HG21 ILE 20 29.082 -4.057 19.974 167 HG22 ILE 20 HG22 ILE 20 30.274 -5.343 19.922 168 HG23 ILE 20 HG23 ILE 20 30.488 -3.986 21.023 169 HD11 ILE 20 HD11 ILE 20 29.809 -2.837 22.525 170 HD12 ILE 20 HD12 ILE 20 30.097 -4.130 23.687 171 HD13 ILE 20 HD13 ILE 20 28.875 -2.903 24.019 172 H ARG 21 HN ARG 21 26.662 -4.292 20.086 173 HA ARG 21 HA ARG 21 24.584 -4.117 21.974 174 HB2 ARG 21 HB3 ARG 21 24.617 -3.304 19.059 175 HB3 ARG 21 HB2 ARG 21 23.346 -2.846 20.196 176 HG2 ARG 21 HG3 ARG 21 24.926 -1.674 21.596 177 HG3 ARG 21 HG2 ARG 21 26.283 -2.269 20.642 178 HD2 ARG 21 HD3 ARG 21 25.567 0.101 20.122 179 HD3 ARG 21 HD2 ARG 21 25.615 -0.986 18.737 180 HE ARG 21 HE ARG 21 22.986 -1.032 19.854 181 HH11 ARG 21 HH11 ARG 21 21.360 0.118 18.788 182 HH12 ARG 21 HH12 ARG 21 21.792 1.386 17.688 183 HH21 ARG 21 HH21 ARG 21 25.206 0.986 18.156 184 HH22 ARG 21 HH22 ARG 21 23.970 1.878 17.332 185 H ARG 22 HN ARG 22 24.792 -5.893 18.940 186 HA ARG 22 HA ARG 22 22.095 -6.948 19.079 187 HB2 ARG 22 HB3 ARG 22 24.568 -7.796 17.551 188 HB3 ARG 22 HB2 ARG 22 23.028 -8.644 17.415 189 HG2 ARG 22 HG3 ARG 22 21.929 -6.725 16.529 190 HG3 ARG 22 HG2 ARG 22 23.259 -5.661 16.989 191 HD2 ARG 22 HD3 ARG 22 23.376 -6.096 14.595 192 HD3 ARG 22 HD2 ARG 22 24.736 -6.886 15.394 193 HE ARG 22 HE ARG 22 22.477 -8.677 15.153 194 HH11 ARG 22 HH11 ARG 22 22.669 -10.348 13.647 195 HH12 ARG 22 HH12 ARG 22 23.887 -10.255 12.420 196 HH21 ARG 22 HH21 ARG 22 25.111 -7.194 13.494 197 HH22 ARG 22 HH22 ARG 22 25.268 -8.468 12.332 198 H ARG 23 HN ARG 23 24.998 -7.556 20.736 199 HA ARG 23 HA ARG 23 24.155 -10.311 21.536 200 HB2 ARG 23 HB3 ARG 23 26.555 -9.724 20.721 201 HB3 ARG 23 HB2 ARG 23 26.754 -8.980 22.305 202 HG2 ARG 23 HG3 ARG 23 27.451 -11.126 22.844 203 HG3 ARG 23 HG2 ARG 23 25.724 -11.338 23.123 204 HD2 ARG 23 HD3 ARG 23 25.626 -11.996 20.605 205 HD3 ARG 23 HD2 ARG 23 27.370 -12.210 20.753 206 HE ARG 23 HE ARG 23 26.369 -13.644 22.888 207 HH11 ARG 23 HH11 ARG 23 25.770 -15.818 22.751 208 HH12 ARG 23 HH12 ARG 23 25.311 -16.481 21.218 209 HH21 ARG 23 HH21 ARG 23 25.777 -13.509 19.494 210 HH22 ARG 23 HH22 ARG 23 25.316 -15.175 19.374 211 H ARG 24 HN ARG 24 22.904 -7.748 22.549 212 HA ARG 24 HA ARG 24 23.826 -7.196 25.191 213 HB2 ARG 24 HB3 ARG 24 21.184 -6.901 23.771 214 HB3 ARG 24 HB2 ARG 24 21.239 -6.661 25.518 215 HG2 ARG 24 HG3 ARG 24 22.967 -4.945 25.258 216 HG3 ARG 24 HG2 ARG 24 22.999 -5.212 23.517 217 HD2 ARG 24 HD3 ARG 24 20.446 -4.457 24.942 218 HD3 ARG 24 HD2 ARG 24 21.586 -3.232 24.385 219 HE ARG 24 HE ARG 24 21.178 -4.822 22.150 220 HH11 ARG 24 HH11 ARG 24 19.547 -4.390 20.642 221 HH12 ARG 24 HH12 ARG 24 18.144 -3.502 21.133 222 HH21 ARG 24 HH21 ARG 24 19.210 -3.114 24.408 223 HH22 ARG 24 HH22 ARG 24 17.952 -2.781 23.263 224 H ARG 25 HN ARG 25 24.412 -9.349 25.928 225 HA ARG 25 HA ARG 25 22.621 -11.527 26.165 226 HB2 ARG 25 HB3 ARG 25 24.992 -10.734 27.878 227 HB3 ARG 25 HB2 ARG 25 24.158 -12.283 28.010 228 HG2 ARG 25 HG3 ARG 25 24.605 -12.649 25.557 229 HG3 ARG 25 HG2 ARG 25 25.604 -11.195 25.579 230 HD2 ARG 25 HD3 ARG 25 26.068 -13.813 26.998 231 HD3 ARG 25 HD2 ARG 25 27.161 -12.928 25.936 232 HE ARG 25 HE ARG 25 26.788 -12.451 28.792 233 HH11 ARG 25 HH11 ARG 25 28.057 -10.801 29.675 234 HH12 ARG 25 HH12 ARG 25 28.876 -9.699 28.619 235 HH21 ARG 25 HH21 ARG 25 27.684 -11.176 25.717 236 HH22 ARG 25 HH22 ARG 25 28.662 -9.908 26.378 Start of MODEL 4 1 H1 PHE 1 H1 PHE 1 44.872 5.931 17.042 2 H2 PHE 1 H2 PHE 1 45.778 6.930 18.076 3 H3 PHE 1 H3 PHE 1 45.370 7.466 16.517 4 HA PHE 1 HA PHE 1 42.940 6.986 17.446 5 HB2 PHE 1 HB3 PHE 1 43.029 8.033 19.811 6 HB3 PHE 1 HB2 PHE 1 43.510 6.343 19.655 7 HD1 PHE 1 HD1 PHE 1 45.721 5.635 20.179 8 HD2 PHE 1 HD2 PHE 1 44.830 9.826 19.857 9 HE1 PHE 1 HE1 PHE 1 47.958 6.185 21.098 10 HE2 PHE 1 HE2 PHE 1 47.066 10.372 20.772 11 HZ PHE 1 HZ PHE 1 48.630 8.553 21.394 12 H ILE 2 HN ILE 2 44.714 8.690 15.798 13 HA ILE 2 HA ILE 2 44.457 11.404 16.816 14 HB ILE 2 HB ILE 2 45.035 10.462 13.989 15 HG12 ILE 2 HG13 ILE 2 46.967 11.248 16.189 16 HG13 ILE 2 HG12 ILE 2 46.601 9.580 15.741 17 HG21 ILE 2 HG21 ILE 2 45.742 12.649 13.512 18 HG22 ILE 2 HG22 ILE 2 45.943 13.065 15.213 19 HG23 ILE 2 HG23 ILE 2 44.332 12.951 14.522 20 HD11 ILE 2 HD11 ILE 2 48.602 10.207 14.554 21 HD12 ILE 2 HD12 ILE 2 47.867 11.713 14.002 22 HD13 ILE 2 HD13 ILE 2 47.289 10.169 13.376 23 H HIS 3 HN HIS 3 43.384 10.908 13.536 24 HA HIS 3 HA HIS 3 40.544 11.089 14.223 25 HB2 HIS 3 HB3 HIS 3 40.215 13.272 13.137 26 HB3 HIS 3 HB2 HIS 3 41.288 13.412 14.527 27 HD1 HIS 3 HD1 HIS 3 41.476 15.558 12.395 28 HD2 HIS 3 HD2 HIS 3 43.806 12.096 12.282 29 HE1 HIS 3 HE1 HIS 3 43.498 16.089 10.968 30 HE2 HIS 3 HE2 HIS 3 44.903 13.984 10.870 31 H HIS 4 HN HIS 4 43.077 10.524 12.027 32 HA HIS 4 HA HIS 4 41.171 10.110 9.755 33 HB2 HIS 4 HB3 HIS 4 43.063 10.224 8.288 34 HB3 HIS 4 HB2 HIS 4 43.214 11.577 9.406 35 HD1 HIS 4 HD1 HIS 4 45.453 11.771 10.497 36 HD2 HIS 4 HD2 HIS 4 44.630 7.862 9.317 37 HE1 HIS 4 HE1 HIS 4 47.523 10.411 11.043 38 HE2 HIS 4 HE2 HIS 4 47.034 8.026 10.327 39 H ILE 5 HN ILE 5 42.927 8.504 12.178 40 HA ILE 5 HA ILE 5 43.176 5.990 10.667 41 HB ILE 5 HB ILE 5 44.284 5.115 12.562 42 HG12 ILE 5 HG13 ILE 5 42.655 5.621 14.311 43 HG13 ILE 5 HG12 ILE 5 44.230 6.228 14.801 44 HG21 ILE 5 HG21 ILE 5 44.835 8.098 12.512 45 HG22 ILE 5 HG22 ILE 5 45.580 6.881 11.475 46 HG23 ILE 5 HG23 ILE 5 45.900 6.880 13.208 47 HD11 ILE 5 HD11 ILE 5 41.926 7.829 13.688 48 HD12 ILE 5 HD12 ILE 5 43.545 8.488 13.882 49 HD13 ILE 5 HD13 ILE 5 42.635 7.951 15.291 50 H ILE 6 HN ILE 6 40.656 7.642 11.945 51 HA ILE 6 HA ILE 6 39.244 5.295 13.087 52 HB ILE 6 HB ILE 6 37.375 7.249 13.166 53 HG12 ILE 6 HG13 ILE 6 39.894 8.875 13.507 54 HG13 ILE 6 HG12 ILE 6 39.157 8.727 11.918 55 HG21 ILE 6 HG21 ILE 6 39.744 7.065 15.046 56 HG22 ILE 6 HG22 ILE 6 38.298 6.056 15.108 57 HG23 ILE 6 HG23 ILE 6 38.179 7.786 15.429 58 HD11 ILE 6 HD11 ILE 6 37.586 9.565 14.357 59 HD12 ILE 6 HD12 ILE 6 37.121 9.717 12.661 60 HD13 ILE 6 HD13 ILE 6 38.410 10.726 13.317 61 H GLY 7 HN GLY 7 38.572 7.755 10.572 62 HA2 GLY 7 HA3 GLY 7 36.424 6.342 9.368 63 HA3 GLY 7 HA2 GLY 7 37.431 7.531 8.533 64 H GLY 8 HN GLY 8 39.493 5.335 9.751 65 HA2 GLY 8 HA3 GLY 8 39.821 3.991 7.137 66 HA3 GLY 8 HA2 GLY 8 40.959 3.928 8.489 67 H LEU 9 HN LEU 9 39.043 3.236 10.500 68 HA LEU 9 HA LEU 9 38.085 0.539 9.625 69 HB2 LEU 9 HB3 LEU 9 38.775 -0.086 12.117 70 HB3 LEU 9 HB2 LEU 9 39.955 -0.173 10.813 71 HG LEU 9 HG LEU 9 39.665 2.468 12.206 72 HD11 LEU 9 HD11 LEU 9 40.947 0.021 13.445 73 HD12 LEU 9 HD12 LEU 9 39.703 1.056 14.145 74 HD13 LEU 9 HD13 LEU 9 41.343 1.668 13.936 75 HD21 LEU 9 HD21 LEU 9 42.142 2.460 11.878 76 HD22 LEU 9 HD22 LEU 9 41.271 2.224 10.365 77 HD23 LEU 9 HD23 LEU 9 42.022 0.850 11.172 78 H PHE 10 HN PHE 10 37.807 3.308 11.784 79 HA PHE 10 HA PHE 10 35.759 2.649 13.497 80 HB2 PHE 10 HB3 PHE 10 36.914 4.894 13.149 81 HB3 PHE 10 HB2 PHE 10 35.758 5.182 11.845 82 HD1 PHE 10 HD1 PHE 10 35.827 4.028 15.414 83 HD2 PHE 10 HD2 PHE 10 33.746 6.246 12.382 84 HE1 PHE 10 HE1 PHE 10 34.138 4.738 17.092 85 HE2 PHE 10 HE2 PHE 10 32.057 6.958 14.057 86 HZ PHE 10 HZ PHE 10 32.255 6.203 16.412 87 H SER 11 HN SER 11 35.548 3.050 10.012 88 HA SER 11 HA SER 11 32.718 3.280 9.767 89 HB2 SER 11 HB3 SER 11 33.031 2.491 7.471 90 HB3 SER 11 HB2 SER 11 34.330 3.611 7.886 91 HG SER 11 HG SER 11 34.462 0.775 8.056 92 H ALA 12 HN ALA 12 34.815 0.387 9.767 93 HA ALA 12 HA ALA 12 32.457 -1.380 9.860 94 HB1 ALA 12 HB1 ALA 12 35.427 -1.970 10.042 95 HB2 ALA 12 HB2 ALA 12 34.404 -2.176 8.619 96 HB3 ALA 12 HB3 ALA 12 34.162 -3.198 10.036 97 H GLY 13 HN GLY 13 34.880 -0.006 11.985 98 HA2 GLY 13 HA3 GLY 13 34.616 -1.631 14.258 99 HA3 GLY 13 HA2 GLY 13 34.880 0.119 14.334 100 H LYS 14 HN LYS 14 32.562 1.014 13.103 101 HA LYS 14 HA LYS 14 30.671 1.062 15.230 102 HB2 LYS 14 HB3 LYS 14 30.426 1.628 12.269 103 HB3 LYS 14 HB2 LYS 14 29.055 1.807 13.366 104 HG2 LYS 14 HG3 LYS 14 30.125 3.511 14.615 105 HG3 LYS 14 HG2 LYS 14 31.712 3.126 13.940 106 HD2 LYS 14 HD3 LYS 14 30.703 5.193 12.953 107 HD3 LYS 14 HD2 LYS 14 31.032 3.942 11.754 108 HE2 LYS 14 HE3 LYS 14 28.741 3.327 11.608 109 HE3 LYS 14 HE2 LYS 14 28.332 4.199 13.085 110 HZ1 LYS 14 HZ1 LYS 14 29.223 6.221 11.752 111 HZ2 LYS 14 HZ2 LYS 14 27.643 5.659 11.480 112 HZ3 LYS 14 HZ3 LYS 14 28.890 5.251 10.399 113 H ALA 15 HN ALA 15 30.678 -0.822 12.207 114 HA ALA 15 HA ALA 15 28.294 -2.306 12.644 115 HB1 ALA 15 HB1 ALA 15 29.207 -3.917 11.064 116 HB2 ALA 15 HB2 ALA 15 30.831 -3.273 11.303 117 HB3 ALA 15 HB3 ALA 15 29.600 -2.288 10.511 118 H ILE 16 HN ILE 16 31.641 -2.872 13.703 119 HA ILE 16 HA ILE 16 30.933 -5.439 14.900 120 HB ILE 16 HB ILE 16 33.368 -3.653 14.901 121 HG12 ILE 16 HG13 ILE 16 34.440 -5.816 14.203 122 HG13 ILE 16 HG12 ILE 16 32.848 -6.565 14.242 123 HG21 ILE 16 HG21 ILE 16 34.448 -5.396 16.448 124 HG22 ILE 16 HG22 ILE 16 32.805 -5.883 16.867 125 HG23 ILE 16 HG23 ILE 16 33.352 -4.242 17.211 126 HD11 ILE 16 HD11 ILE 16 33.485 -5.823 11.956 127 HD12 ILE 16 HD12 ILE 16 33.594 -4.167 12.547 128 HD13 ILE 16 HD13 ILE 16 32.040 -5.001 12.541 129 H HIS 17 HN HIS 17 31.022 -2.090 15.803 130 HA HIS 17 HA HIS 17 30.735 -2.560 18.650 131 HB2 HIS 17 HB3 HIS 17 31.038 -0.307 18.761 132 HB3 HIS 17 HB2 HIS 17 31.133 -0.293 17.014 133 HD1 HIS 17 HD1 HIS 17 29.076 0.577 15.707 134 HD2 HIS 17 HD2 HIS 17 28.468 0.376 19.823 135 HE1 HIS 17 HE1 HIS 17 26.912 1.801 16.163 136 HE2 HIS 17 HE2 HIS 17 26.537 1.712 18.671 137 H ARG 18 HN ARG 18 28.747 -3.101 16.034 138 HA ARG 18 HA ARG 18 26.225 -2.682 17.552 139 HB2 ARG 18 HB3 ARG 18 26.807 -3.426 14.684 140 HB3 ARG 18 HB2 ARG 18 25.189 -3.524 15.385 141 HG2 ARG 18 HG3 ARG 18 25.250 -1.165 15.971 142 HG3 ARG 18 HG2 ARG 18 26.912 -1.034 15.403 143 HD2 ARG 18 HD3 ARG 18 24.947 -0.287 13.822 144 HD3 ARG 18 HD2 ARG 18 26.297 -1.200 13.150 145 HE ARG 18 HE ARG 18 24.552 -3.187 13.843 146 HH11 ARG 18 HH11 ARG 18 22.874 -3.927 12.521 147 HH12 ARG 18 HH12 ARG 18 22.188 -2.864 11.338 148 HH21 ARG 18 HH21 ARG 18 24.251 -0.198 12.153 149 HH22 ARG 18 HH22 ARG 18 22.966 -0.752 11.131 150 H LEU 19 HN LEU 19 28.373 -5.158 16.362 151 HA LEU 19 HA LEU 19 26.694 -7.420 16.812 152 HB2 LEU 19 HB3 LEU 19 28.657 -7.965 15.660 153 HB3 LEU 19 HB2 LEU 19 29.650 -6.908 16.653 154 HG LEU 19 HG LEU 19 29.496 -8.529 18.528 155 HD11 LEU 19 HD11 LEU 19 28.446 -10.681 18.237 156 HD12 LEU 19 HD12 LEU 19 28.141 -10.367 16.530 157 HD13 LEU 19 HD13 LEU 19 27.249 -9.479 17.761 158 HD21 LEU 19 HD21 LEU 19 30.873 -10.294 17.479 159 HD22 LEU 19 HD22 LEU 19 31.349 -8.691 16.922 160 HD23 LEU 19 HD23 LEU 19 30.372 -9.730 15.885 161 H ILE 20 HN ILE 20 28.806 -5.518 18.920 162 HA ILE 20 HA ILE 20 28.401 -7.179 21.260 163 HB ILE 20 HB ILE 20 30.111 -5.828 21.963 164 HG12 ILE 20 HG13 ILE 20 28.120 -3.524 21.937 165 HG13 ILE 20 HG12 ILE 20 28.303 -4.669 23.265 166 HG21 ILE 20 HG21 ILE 20 30.450 -5.228 19.626 167 HG22 ILE 20 HG22 ILE 20 30.775 -3.834 20.650 168 HG23 ILE 20 HG23 ILE 20 29.256 -3.956 19.778 169 HD11 ILE 20 HD11 ILE 20 29.595 -2.735 23.834 170 HD12 ILE 20 HD12 ILE 20 30.326 -2.673 22.230 171 HD13 ILE 20 HD13 ILE 20 30.750 -3.974 23.343 172 H ARG 21 HN ARG 21 26.902 -4.137 20.171 173 HA ARG 21 HA ARG 21 25.068 -3.812 22.264 174 HB2 ARG 21 HB3 ARG 21 24.771 -3.220 19.310 175 HB3 ARG 21 HB2 ARG 21 23.593 -2.708 20.520 176 HG2 ARG 21 HG3 ARG 21 25.286 -1.434 21.706 177 HG3 ARG 21 HG2 ARG 21 26.542 -2.031 20.625 178 HD2 ARG 21 HD3 ARG 21 25.997 0.133 19.817 179 HD3 ARG 21 HD2 ARG 21 25.198 -0.988 18.723 180 HE ARG 21 HE ARG 21 23.087 -0.320 19.609 181 HH11 ARG 21 HH11 ARG 21 21.827 1.180 20.727 182 HH12 ARG 21 HH12 ARG 21 22.579 2.256 21.857 183 HH21 ARG 21 HH21 ARG 21 25.768 1.002 21.345 184 HH22 ARG 21 HH22 ARG 21 24.805 2.159 22.201 185 H ARG 22 HN ARG 22 24.859 -5.830 19.374 186 HA ARG 22 HA ARG 22 22.210 -6.840 19.976 187 HB2 ARG 22 HB3 ARG 22 24.458 -7.819 18.205 188 HB3 ARG 22 HB2 ARG 22 22.933 -8.693 18.363 189 HG2 ARG 22 HG3 ARG 22 21.679 -6.865 17.483 190 HG3 ARG 22 HG2 ARG 22 23.043 -5.759 17.642 191 HD2 ARG 22 HD3 ARG 22 23.189 -8.205 15.880 192 HD3 ARG 22 HD2 ARG 22 22.556 -6.671 15.289 193 HE ARG 22 HE ARG 22 25.167 -6.425 16.567 194 HH11 ARG 22 HH11 ARG 22 26.864 -5.855 15.175 195 HH12 ARG 22 HH12 ARG 22 26.635 -5.967 13.464 196 HH21 ARG 22 HH21 ARG 22 23.373 -7.117 13.708 197 HH22 ARG 22 HH22 ARG 22 24.660 -6.687 12.632 198 H ARG 23 HN ARG 23 25.362 -7.416 21.183 199 HA ARG 23 HA ARG 23 24.593 -10.043 22.378 200 HB2 ARG 23 HB3 ARG 23 26.855 -9.611 21.166 201 HB3 ARG 23 HB2 ARG 23 27.293 -8.709 22.613 202 HG2 ARG 23 HG3 ARG 23 28.040 -10.784 23.303 203 HG3 ARG 23 HG2 ARG 23 26.361 -10.951 23.813 204 HD2 ARG 23 HD3 ARG 23 25.904 -11.921 21.489 205 HD3 ARG 23 HD2 ARG 23 27.654 -12.012 21.292 206 HE ARG 23 HE ARG 23 26.768 -13.252 23.765 207 HH11 ARG 23 HH11 ARG 23 26.936 -15.506 23.858 208 HH12 ARG 23 HH12 ARG 23 27.157 -16.405 22.393 209 HH21 ARG 23 HH21 ARG 23 27.149 -13.598 20.357 210 HH22 ARG 23 HH22 ARG 23 27.277 -15.324 20.411 211 H ARG 24 HN ARG 24 23.519 -7.401 23.284 212 HA ARG 24 HA ARG 24 24.819 -6.510 25.640 213 HB2 ARG 24 HB3 ARG 24 22.428 -5.839 26.358 214 HB3 ARG 24 HB2 ARG 24 23.066 -5.125 24.880 215 HG2 ARG 24 HG3 ARG 24 21.883 -6.871 23.554 216 HG3 ARG 24 HG2 ARG 24 21.199 -7.511 25.046 217 HD2 ARG 24 HD3 ARG 24 19.521 -6.074 24.205 218 HD3 ARG 24 HD2 ARG 24 20.324 -5.115 25.449 219 HE ARG 24 HE ARG 24 21.727 -4.418 23.206 220 HH11 ARG 24 HH11 ARG 24 21.111 -2.810 21.743 221 HH12 ARG 24 HH12 ARG 24 19.437 -2.393 21.587 222 HH21 ARG 24 HH21 ARG 24 18.372 -4.685 23.959 223 HH22 ARG 24 HH22 ARG 24 17.887 -3.455 22.841 224 H ARG 25 HN ARG 25 25.590 -8.502 26.577 225 HA ARG 25 HA ARG 25 23.953 -10.649 27.437 226 HB2 ARG 25 HB3 ARG 25 26.403 -9.643 28.903 227 HB3 ARG 25 HB2 ARG 25 25.790 -11.296 28.833 228 HG2 ARG 25 HG3 ARG 25 26.149 -11.186 26.310 229 HG3 ARG 25 HG2 ARG 25 27.044 -9.693 26.595 230 HD2 ARG 25 HD3 ARG 25 28.628 -11.531 26.534 231 HD3 ARG 25 HD2 ARG 25 28.513 -10.952 28.197 232 HE ARG 25 HE ARG 25 26.621 -13.026 27.941 233 HH11 ARG 25 HH11 ARG 25 27.147 -15.127 28.589 234 HH12 ARG 25 HH12 ARG 25 28.810 -15.599 28.685 235 HH21 ARG 25 HH21 ARG 25 30.016 -12.509 27.667 236 HH22 ARG 25 HH22 ARG 25 30.437 -14.115 28.162 Start of MODEL 5 1 H1 PHE 1 H1 PHE 1 45.943 7.668 15.879 2 H2 PHE 1 H2 PHE 1 45.971 6.364 16.968 3 H3 PHE 1 H3 PHE 1 46.518 7.895 17.459 4 HA PHE 1 HA PHE 1 43.731 7.106 16.817 5 HB2 PHE 1 HB3 PHE 1 45.138 8.042 19.333 6 HB3 PHE 1 HB2 PHE 1 43.387 7.906 19.185 7 HD1 PHE 1 HD1 PHE 1 46.532 6.098 19.579 8 HD2 PHE 1 HD2 PHE 1 42.329 5.678 18.788 9 HE1 PHE 1 HE1 PHE 1 46.674 3.677 20.100 10 HE2 PHE 1 HE2 PHE 1 42.474 3.258 19.310 11 HZ PHE 1 HZ PHE 1 44.645 2.257 19.966 12 H ILE 2 HN ILE 2 44.949 9.050 15.183 13 HA ILE 2 HA ILE 2 44.487 11.701 16.309 14 HB ILE 2 HB ILE 2 44.848 10.908 13.401 15 HG12 ILE 2 HG13 ILE 2 46.943 11.821 15.392 16 HG13 ILE 2 HG12 ILE 2 46.693 10.137 14.931 17 HG21 ILE 2 HG21 ILE 2 43.964 13.282 14.146 18 HG22 ILE 2 HG22 ILE 2 45.261 13.175 12.964 19 HG23 ILE 2 HG23 ILE 2 45.631 13.540 14.648 20 HD11 ILE 2 HD11 ILE 2 47.476 12.424 13.103 21 HD12 ILE 2 HD12 ILE 2 47.047 10.811 12.534 22 HD13 ILE 2 HD13 ILE 2 48.471 11.038 13.550 23 H HIS 3 HN HIS 3 43.153 11.285 13.143 24 HA HIS 3 HA HIS 3 40.397 11.003 14.127 25 HB2 HIS 3 HB3 HIS 3 39.671 13.137 13.087 26 HB3 HIS 3 HB2 HIS 3 40.765 13.384 14.443 27 HD1 HIS 3 HD1 HIS 3 40.647 15.678 12.576 28 HD2 HIS 3 HD2 HIS 3 43.250 12.490 11.874 29 HE1 HIS 3 HE1 HIS 3 42.464 16.551 11.044 30 HE2 HIS 3 HE2 HIS 3 44.046 14.619 10.610 31 H HIS 4 HN HIS 4 42.728 10.823 11.658 32 HA HIS 4 HA HIS 4 40.660 10.190 9.587 33 HB2 HIS 4 HB3 HIS 4 42.362 10.548 7.937 34 HB3 HIS 4 HB2 HIS 4 42.474 11.895 9.067 35 HD1 HIS 4 HD1 HIS 4 44.786 12.345 9.894 36 HD2 HIS 4 HD2 HIS 4 44.292 8.367 8.765 37 HE1 HIS 4 HE1 HIS 4 47.045 11.232 10.197 38 HE2 HIS 4 HE2 HIS 4 46.758 8.807 9.508 39 H ILE 5 HN ILE 5 42.821 8.805 11.789 40 HA ILE 5 HA ILE 5 43.233 6.342 10.242 41 HB ILE 5 HB ILE 5 44.600 5.616 12.024 42 HG12 ILE 5 HG13 ILE 5 43.050 5.929 13.909 43 HG13 ILE 5 HG12 ILE 5 44.602 6.664 14.274 44 HG21 ILE 5 HG21 ILE 5 45.543 7.548 10.844 45 HG22 ILE 5 HG22 ILE 5 46.038 7.558 12.536 46 HG23 ILE 5 HG23 ILE 5 44.764 8.644 11.985 47 HD11 ILE 5 HD11 ILE 5 42.841 8.189 14.944 48 HD12 ILE 5 HD12 ILE 5 42.114 8.108 13.352 49 HD13 ILE 5 HD13 ILE 5 43.680 8.878 13.559 50 H ILE 6 HN ILE 6 40.713 7.688 11.997 51 HA ILE 6 HA ILE 6 39.712 5.128 13.083 52 HB ILE 6 HB ILE 6 37.643 6.803 13.501 53 HG12 ILE 6 HG13 ILE 6 39.938 8.761 13.583 54 HG13 ILE 6 HG12 ILE 6 39.009 8.557 12.103 55 HG21 ILE 6 HG21 ILE 6 40.250 6.904 15.044 56 HG22 ILE 6 HG22 ILE 6 38.972 5.705 15.254 57 HG23 ILE 6 HG23 ILE 6 38.672 7.395 15.661 58 HD11 ILE 6 HD11 ILE 6 38.160 10.390 13.592 59 HD12 ILE 6 HD12 ILE 6 37.777 9.163 14.799 60 HD13 ILE 6 HD13 ILE 6 36.959 9.148 13.236 61 H GLY 7 HN GLY 7 38.644 7.559 10.697 62 HA2 GLY 7 HA3 GLY 7 36.451 6.070 9.673 63 HA3 GLY 7 HA2 GLY 7 37.340 7.299 8.763 64 H GLY 8 HN GLY 8 39.593 5.206 9.784 65 HA2 GLY 8 HA3 GLY 8 39.784 3.900 7.142 66 HA3 GLY 8 HA2 GLY 8 40.992 3.817 8.432 67 H LEU 9 HN LEU 9 39.229 3.040 10.521 68 HA LEU 9 HA LEU 9 38.232 0.361 9.634 69 HB2 LEU 9 HB3 LEU 9 39.079 -0.413 11.964 70 HB3 LEU 9 HB2 LEU 9 40.263 -0.247 10.672 71 HG LEU 9 HG LEU 9 39.745 2.193 12.333 72 HD11 LEU 9 HD11 LEU 9 41.324 -0.194 13.340 73 HD12 LEU 9 HD12 LEU 9 39.864 0.474 14.071 74 HD13 LEU 9 HD13 LEU 9 41.358 1.414 14.064 75 HD21 LEU 9 HD21 LEU 9 41.396 2.174 10.468 76 HD22 LEU 9 HD22 LEU 9 42.284 0.891 11.286 77 HD23 LEU 9 HD23 LEU 9 42.169 2.489 12.020 78 H PHE 10 HN PHE 10 38.167 3.005 11.962 79 HA PHE 10 HA PHE 10 36.165 2.252 13.715 80 HB2 PHE 10 HB3 PHE 10 37.507 4.475 13.441 81 HB3 PHE 10 HB2 PHE 10 36.154 4.992 12.434 82 HD1 PHE 10 HD1 PHE 10 34.139 5.754 13.435 83 HD2 PHE 10 HD2 PHE 10 37.024 3.618 15.788 84 HE1 PHE 10 HE1 PHE 10 32.841 6.265 15.491 85 HE2 PHE 10 HE2 PHE 10 35.729 4.127 17.843 86 HZ PHE 10 HZ PHE 10 33.637 5.450 17.694 87 H SER 11 HN SER 11 35.859 2.940 10.300 88 HA SER 11 HA SER 11 33.056 3.483 10.206 89 HB2 SER 11 HB3 SER 11 34.807 2.126 8.133 90 HB3 SER 11 HB2 SER 11 33.207 2.806 7.834 91 HG SER 11 HG SER 11 34.735 4.606 9.097 92 H ALA 12 HN ALA 12 34.783 0.385 9.660 93 HA ALA 12 HA ALA 12 32.245 -1.084 9.794 94 HB1 ALA 12 HB1 ALA 12 35.058 -2.208 9.843 95 HB2 ALA 12 HB2 ALA 12 34.179 -1.837 8.359 96 HB3 ALA 12 HB3 ALA 12 33.572 -3.075 9.459 97 H GLY 13 HN GLY 13 34.988 -0.340 11.860 98 HA2 GLY 13 HA3 GLY 13 34.613 -2.165 13.952 99 HA3 GLY 13 HA2 GLY 13 35.145 -0.495 14.203 100 H LYS 14 HN LYS 14 32.905 0.863 13.271 101 HA LYS 14 HA LYS 14 31.193 0.923 15.546 102 HB2 LYS 14 HB3 LYS 14 30.838 1.863 12.691 103 HB3 LYS 14 HB2 LYS 14 29.582 2.100 13.907 104 HG2 LYS 14 HG3 LYS 14 30.944 3.506 15.226 105 HG3 LYS 14 HG2 LYS 14 32.429 2.953 14.445 106 HD2 LYS 14 HD3 LYS 14 31.743 5.232 13.701 107 HD3 LYS 14 HD2 LYS 14 31.803 4.073 12.373 108 HE2 LYS 14 HE3 LYS 14 29.735 5.575 12.455 109 HE3 LYS 14 HE2 LYS 14 29.428 3.842 12.340 110 HZ1 LYS 14 HZ1 LYS 14 28.139 5.167 14.074 111 HZ2 LYS 14 HZ2 LYS 14 29.590 5.199 14.957 112 HZ3 LYS 14 HZ3 LYS 14 28.857 3.715 14.573 113 H ALA 15 HN ALA 15 30.701 -0.566 12.349 114 HA ALA 15 HA ALA 15 28.167 -1.746 12.848 115 HB1 ALA 15 HB1 ALA 15 28.788 -3.341 11.055 116 HB2 ALA 15 HB2 ALA 15 30.446 -2.746 11.127 117 HB3 ALA 15 HB3 ALA 15 29.147 -1.674 10.607 118 H ILE 16 HN ILE 16 31.471 -2.910 13.508 119 HA ILE 16 HA ILE 16 30.456 -5.470 14.490 120 HB ILE 16 HB ILE 16 33.164 -4.101 14.647 121 HG12 ILE 16 HG13 ILE 16 33.743 -6.313 13.386 122 HG13 ILE 16 HG12 ILE 16 32.007 -6.451 13.131 123 HG21 ILE 16 HG21 ILE 16 33.931 -6.367 15.591 124 HG22 ILE 16 HG22 ILE 16 32.232 -6.659 15.964 125 HG23 ILE 16 HG23 ILE 16 33.076 -5.297 16.703 126 HD11 ILE 16 HD11 ILE 16 33.215 -5.311 11.253 127 HD12 ILE 16 HD12 ILE 16 33.650 -4.021 12.371 128 HD13 ILE 16 HD13 ILE 16 31.956 -4.317 11.980 129 H HIS 17 HN HIS 17 31.122 -2.299 15.731 130 HA HIS 17 HA HIS 17 31.022 -3.071 18.526 131 HB2 HIS 17 HB3 HIS 17 31.658 -0.910 18.856 132 HB3 HIS 17 HB2 HIS 17 31.612 -0.693 17.119 133 HD1 HIS 17 HD1 HIS 17 29.592 0.584 16.120 134 HD2 HIS 17 HD2 HIS 17 29.325 -0.006 20.234 135 HE1 HIS 17 HE1 HIS 17 27.684 2.037 16.920 136 HE2 HIS 17 HE2 HIS 17 27.520 1.708 19.431 137 H ARG 18 HN ARG 18 28.770 -3.001 16.075 138 HA ARG 18 HA ARG 18 26.466 -2.435 17.872 139 HB2 ARG 18 HB3 ARG 18 26.699 -2.916 14.898 140 HB3 ARG 18 HB2 ARG 18 25.149 -2.875 15.740 141 HG2 ARG 18 HG3 ARG 18 25.549 -0.627 16.518 142 HG3 ARG 18 HG2 ARG 18 27.201 -0.657 15.901 143 HD2 ARG 18 HD3 ARG 18 25.158 0.444 14.504 144 HD3 ARG 18 HD2 ARG 18 26.535 -0.320 13.712 145 HE ARG 18 HE ARG 18 24.471 -2.255 14.286 146 HH11 ARG 18 HH11 ARG 18 23.305 -3.037 12.511 147 HH12 ARG 18 HH12 ARG 18 23.331 -2.155 11.021 148 HH21 ARG 18 HH21 ARG 18 25.420 0.337 12.228 149 HH22 ARG 18 HH22 ARG 18 24.529 -0.243 10.860 150 H LEU 19 HN LEU 19 28.146 -5.012 16.229 151 HA LEU 19 HA LEU 19 26.207 -7.074 16.571 152 HB2 LEU 19 HB3 LEU 19 27.987 -7.730 15.204 153 HB3 LEU 19 HB2 LEU 19 29.184 -6.928 16.208 154 HG LEU 19 HG LEU 19 28.951 -8.724 17.911 155 HD11 LEU 19 HD11 LEU 19 27.602 -10.672 17.498 156 HD12 LEU 19 HD12 LEU 19 27.240 -10.154 15.853 157 HD13 LEU 19 HD13 LEU 19 26.546 -9.290 17.222 158 HD21 LEU 19 HD21 LEU 19 30.682 -8.972 16.245 159 HD22 LEU 19 HD22 LEU 19 29.526 -9.592 15.066 160 HD23 LEU 19 HD23 LEU 19 29.935 -10.551 16.488 161 H ILE 20 HN ILE 20 28.697 -5.726 18.687 162 HA ILE 20 HA ILE 20 28.228 -7.596 20.857 163 HB ILE 20 HB ILE 20 30.165 -6.590 21.552 164 HG12 ILE 20 HG13 ILE 20 28.542 -4.042 21.939 165 HG13 ILE 20 HG12 ILE 20 28.651 -5.346 23.120 166 HG21 ILE 20 HG21 ILE 20 29.462 -4.364 19.663 167 HG22 ILE 20 HG22 ILE 20 30.422 -5.774 19.263 168 HG23 ILE 20 HG23 ILE 20 31.039 -4.581 20.402 169 HD11 ILE 20 HD11 ILE 20 30.267 -3.769 23.820 170 HD12 ILE 20 HD12 ILE 20 30.810 -3.468 22.169 171 HD13 ILE 20 HD13 ILE 20 31.206 -4.993 22.964 172 H ARG 21 HN ARG 21 27.118 -4.267 20.243 173 HA ARG 21 HA ARG 21 25.509 -3.971 22.527 174 HB2 ARG 21 HB3 ARG 21 25.095 -2.928 19.714 175 HB3 ARG 21 HB2 ARG 21 24.132 -2.407 21.100 176 HG2 ARG 21 HG3 ARG 21 26.120 -1.598 22.240 177 HG3 ARG 21 HG2 ARG 21 27.152 -2.238 20.965 178 HD2 ARG 21 HD3 ARG 21 26.914 0.090 20.513 179 HD3 ARG 21 HD2 ARG 21 25.880 -0.740 19.356 180 HE ARG 21 HE ARG 21 23.968 0.110 20.494 181 HH11 ARG 21 HH11 ARG 21 23.036 1.594 21.910 182 HH12 ARG 21 HH12 ARG 21 24.017 2.359 23.115 183 HH21 ARG 21 HH21 ARG 21 26.926 0.731 22.169 184 HH22 ARG 21 HH22 ARG 21 26.215 1.872 23.260 185 H ARG 22 HN ARG 22 24.823 -5.522 19.439 186 HA ARG 22 HA ARG 22 22.082 -6.204 20.087 187 HB2 ARG 22 HB3 ARG 22 24.081 -7.265 18.077 188 HB3 ARG 22 HB2 ARG 22 22.466 -7.957 18.242 189 HG2 ARG 22 HG3 ARG 22 21.406 -5.942 17.598 190 HG3 ARG 22 HG2 ARG 22 22.863 -4.985 17.873 191 HD2 ARG 22 HD3 ARG 22 22.472 -5.336 15.463 192 HD3 ARG 22 HD2 ARG 22 23.969 -6.106 15.985 193 HE ARG 22 HE ARG 22 22.022 -8.096 16.201 194 HH11 ARG 22 HH11 ARG 22 21.634 -9.540 14.504 195 HH12 ARG 22 HH12 ARG 22 22.044 -9.083 12.885 196 HH21 ARG 22 HH21 ARG 22 23.251 -5.960 13.790 197 HH22 ARG 22 HH22 ARG 22 22.964 -7.056 12.481 198 H ARG 23 HN ARG 23 25.167 -7.338 21.006 199 HA ARG 23 HA ARG 23 24.080 -9.928 22.029 200 HB2 ARG 23 HB3 ARG 23 26.294 -9.677 20.628 201 HB3 ARG 23 HB2 ARG 23 26.983 -9.100 22.142 202 HG2 ARG 23 HG3 ARG 23 27.396 -11.371 22.392 203 HG3 ARG 23 HG2 ARG 23 25.790 -11.299 23.116 204 HD2 ARG 23 HD3 ARG 23 24.842 -11.817 20.826 205 HD3 ARG 23 HD2 ARG 23 26.495 -12.115 20.286 206 HE ARG 23 HE ARG 23 26.222 -13.710 22.544 207 HH11 ARG 23 HH11 ARG 23 25.512 -15.850 22.436 208 HH12 ARG 23 HH12 ARG 23 24.536 -16.359 21.098 209 HH21 ARG 23 HH21 ARG 23 24.537 -13.245 19.571 210 HH22 ARG 23 HH22 ARG 23 23.986 -14.884 19.476 211 H ARG 24 HN ARG 24 23.413 -7.367 23.288 212 HA ARG 24 HA ARG 24 25.053 -6.757 25.512 213 HB2 ARG 24 HB3 ARG 24 22.783 -6.030 26.558 214 HB3 ARG 24 HB2 ARG 24 23.326 -5.217 25.092 215 HG2 ARG 24 HG3 ARG 24 21.865 -6.507 23.713 216 HG3 ARG 24 HG2 ARG 24 21.513 -7.635 25.023 217 HD2 ARG 24 HD3 ARG 24 20.784 -4.694 25.011 218 HD3 ARG 24 HD2 ARG 24 19.664 -6.020 24.698 219 HE ARG 24 HE ARG 24 21.065 -6.258 27.252 220 HH11 ARG 24 HH11 ARG 24 19.769 -6.064 29.089 221 HH12 ARG 24 HH12 ARG 24 18.162 -5.433 28.938 222 HH21 ARG 24 HH21 ARG 24 18.386 -4.954 25.511 223 HH22 ARG 24 HH22 ARG 24 17.381 -4.803 26.913 224 H ARG 25 HN ARG 25 25.788 -8.867 26.211 225 HA ARG 25 HA ARG 25 24.099 -10.958 27.124 226 HB2 ARG 25 HB3 ARG 25 26.774 -10.249 28.350 227 HB3 ARG 25 HB2 ARG 25 26.031 -11.844 28.222 228 HG2 ARG 25 HG3 ARG 25 26.147 -11.612 25.715 229 HG3 ARG 25 HG2 ARG 25 27.084 -10.137 25.952 230 HD2 ARG 25 HD3 ARG 25 28.806 -11.377 27.155 231 HD3 ARG 25 HD2 ARG 25 27.853 -12.857 27.048 232 HE ARG 25 HE ARG 25 28.602 -13.107 24.825 233 HH11 ARG 25 HH11 ARG 25 29.749 -12.435 22.997 234 HH12 ARG 25 HH12 ARG 25 30.340 -10.809 22.912 235 HH21 ARG 25 HH21 ARG 25 29.080 -9.908 26.012 236 HH22 ARG 25 HH22 ARG 25 29.962 -9.379 24.618 Start of MODEL 6 1 H1 PHE 1 H1 PHE 1 46.682 8.465 17.496 2 H2 PHE 1 H2 PHE 1 46.595 6.856 16.960 3 H3 PHE 1 H3 PHE 1 46.237 7.237 18.577 4 HA PHE 1 HA PHE 1 44.504 7.164 16.362 5 HB2 PHE 1 HB3 PHE 1 44.230 7.771 19.315 6 HB3 PHE 1 HB2 PHE 1 42.842 7.682 18.229 7 HD1 PHE 1 HD1 PHE 1 42.649 5.541 16.752 8 HD2 PHE 1 HD2 PHE 1 45.065 5.798 20.296 9 HE1 PHE 1 HE1 PHE 1 42.653 3.068 16.930 10 HE2 PHE 1 HE2 PHE 1 45.067 3.325 20.473 11 HZ PHE 1 HZ PHE 1 43.861 1.959 18.790 12 H ILE 2 HN ILE 2 45.005 9.004 15.009 13 HA ILE 2 HA ILE 2 44.773 11.703 16.143 14 HB ILE 2 HB ILE 2 44.970 10.831 13.241 15 HG12 ILE 2 HG13 ILE 2 47.187 11.850 15.031 16 HG13 ILE 2 HG12 ILE 2 46.869 10.131 14.802 17 HG21 ILE 2 HG21 ILE 2 45.380 13.075 12.699 18 HG22 ILE 2 HG22 ILE 2 45.837 13.500 14.346 19 HG23 ILE 2 HG23 ILE 2 44.146 13.246 13.942 20 HD11 ILE 2 HD11 ILE 2 47.463 12.106 12.580 21 HD12 ILE 2 HD12 ILE 2 47.184 10.376 12.379 22 HD13 ILE 2 HD13 ILE 2 48.612 10.943 13.243 23 H HIS 3 HN HIS 3 43.240 11.152 13.065 24 HA HIS 3 HA HIS 3 40.541 11.037 14.194 25 HB2 HIS 3 HB3 HIS 3 39.832 13.190 13.236 26 HB3 HIS 3 HB2 HIS 3 41.090 13.417 14.446 27 HD1 HIS 3 HD1 HIS 3 40.737 15.609 12.389 28 HD2 HIS 3 HD2 HIS 3 43.329 12.393 11.787 29 HE1 HIS 3 HE1 HIS 3 42.455 16.368 10.690 30 HE2 HIS 3 HE2 HIS 3 44.015 14.412 10.299 31 H HIS 4 HN HIS 4 42.731 10.749 11.610 32 HA HIS 4 HA HIS 4 40.533 10.169 9.660 33 HB2 HIS 4 HB3 HIS 4 42.139 10.483 7.912 34 HB3 HIS 4 HB2 HIS 4 42.352 11.831 9.027 35 HD1 HIS 4 HD1 HIS 4 44.717 12.224 9.719 36 HD2 HIS 4 HD2 HIS 4 44.067 8.259 8.621 37 HE1 HIS 4 HE1 HIS 4 46.965 11.064 9.876 38 HE2 HIS 4 HE2 HIS 4 46.583 8.646 9.206 39 H ILE 5 HN ILE 5 42.879 8.756 11.688 40 HA ILE 5 HA ILE 5 43.120 6.288 10.133 41 HB ILE 5 HB ILE 5 44.544 5.510 11.852 42 HG12 ILE 5 HG13 ILE 5 43.109 5.860 13.808 43 HG13 ILE 5 HG12 ILE 5 44.685 6.583 14.096 44 HG21 ILE 5 HG21 ILE 5 45.477 7.415 10.618 45 HG22 ILE 5 HG22 ILE 5 46.068 7.402 12.278 46 HG23 ILE 5 HG23 ILE 5 44.801 8.531 11.803 47 HD11 ILE 5 HD11 ILE 5 43.727 8.798 13.362 48 HD12 ILE 5 HD12 ILE 5 43.018 8.152 14.839 49 HD13 ILE 5 HD13 ILE 5 42.148 8.026 13.321 50 H ILE 6 HN ILE 6 40.688 7.681 11.915 51 HA ILE 6 HA ILE 6 39.678 5.171 13.103 52 HB ILE 6 HB ILE 6 37.640 6.893 13.506 53 HG12 ILE 6 HG13 ILE 6 39.988 8.792 13.474 54 HG13 ILE 6 HG12 ILE 6 38.981 8.587 12.045 55 HG21 ILE 6 HG21 ILE 6 38.986 5.811 15.262 56 HG22 ILE 6 HG22 ILE 6 38.698 7.510 15.638 57 HG23 ILE 6 HG23 ILE 6 40.267 6.998 15.013 58 HD11 ILE 6 HD11 ILE 6 38.300 10.468 13.617 59 HD12 ILE 6 HD12 ILE 6 37.835 9.215 14.768 60 HD13 ILE 6 HD13 ILE 6 37.027 9.320 13.203 61 H GLY 7 HN GLY 7 38.574 7.553 10.678 62 HA2 GLY 7 HA3 GLY 7 36.373 6.018 9.731 63 HA3 GLY 7 HA2 GLY 7 37.232 7.236 8.776 64 H GLY 8 HN GLY 8 39.527 5.191 9.806 65 HA2 GLY 8 HA3 GLY 8 39.689 3.824 7.195 66 HA3 GLY 8 HA2 GLY 8 40.922 3.792 8.462 67 H LEU 9 HN LEU 9 39.228 3.043 10.606 68 HA LEU 9 HA LEU 9 38.258 0.320 9.817 69 HB2 LEU 9 HB3 LEU 9 39.106 -0.335 12.191 70 HB3 LEU 9 HB2 LEU 9 40.282 -0.232 10.886 71 HG LEU 9 HG LEU 9 39.765 2.296 12.409 72 HD11 LEU 9 HD11 LEU 9 39.881 0.806 14.289 73 HD12 LEU 9 HD12 LEU 9 41.467 1.561 14.141 74 HD13 LEU 9 HD13 LEU 9 41.221 -0.091 13.575 75 HD21 LEU 9 HD21 LEU 9 42.236 2.500 12.127 76 HD22 LEU 9 HD22 LEU 9 41.412 2.249 10.590 77 HD23 LEU 9 HD23 LEU 9 42.262 0.912 11.364 78 H PHE 10 HN PHE 10 38.149 3.047 12.053 79 HA PHE 10 HA PHE 10 36.112 2.310 13.791 80 HB2 PHE 10 HB3 PHE 10 37.467 4.536 13.496 81 HB3 PHE 10 HB2 PHE 10 36.117 5.032 12.479 82 HD1 PHE 10 HD1 PHE 10 36.715 3.359 15.792 83 HD2 PHE 10 HD2 PHE 10 34.364 6.165 13.543 84 HE1 PHE 10 HE1 PHE 10 35.421 3.913 17.836 85 HE2 PHE 10 HE2 PHE 10 33.070 6.718 15.588 86 HZ PHE 10 HZ PHE 10 33.598 5.592 17.733 87 H SER 11 HN SER 11 35.907 3.075 10.376 88 HA SER 11 HA SER 11 33.106 3.540 10.168 89 HB2 SER 11 HB3 SER 11 34.820 2.104 8.122 90 HB3 SER 11 HB2 SER 11 33.349 3.031 7.822 91 HG SER 11 HG SER 11 35.827 3.904 7.841 92 H ALA 12 HN ALA 12 34.969 0.504 9.927 93 HA ALA 12 HA ALA 12 32.487 -1.081 9.847 94 HB1 ALA 12 HB1 ALA 12 34.008 -3.028 9.848 95 HB2 ALA 12 HB2 ALA 12 35.384 -1.952 10.095 96 HB3 ALA 12 HB3 ALA 12 34.461 -1.876 8.593 97 H GLY 13 HN GLY 13 34.968 -0.073 12.106 98 HA2 GLY 13 HA3 GLY 13 34.548 -1.822 14.253 99 HA3 GLY 13 HA2 GLY 13 34.918 -0.103 14.459 100 H LYS 14 HN LYS 14 32.686 1.031 13.276 101 HA LYS 14 HA LYS 14 30.758 1.095 15.356 102 HB2 LYS 14 HB3 LYS 14 30.532 1.700 12.394 103 HB3 LYS 14 HB2 LYS 14 29.202 1.972 13.519 104 HG2 LYS 14 HG3 LYS 14 30.382 3.628 14.715 105 HG3 LYS 14 HG2 LYS 14 31.942 3.112 14.068 106 HD2 LYS 14 HD3 LYS 14 31.528 4.076 11.955 107 HD3 LYS 14 HD2 LYS 14 29.789 4.162 12.229 108 HE2 LYS 14 HE3 LYS 14 31.688 5.716 13.981 109 HE3 LYS 14 HE2 LYS 14 31.177 6.356 12.420 110 HZ1 LYS 14 HZ1 LYS 14 29.596 7.174 13.870 111 HZ2 LYS 14 HZ2 LYS 14 29.541 5.751 14.796 112 HZ3 LYS 14 HZ3 LYS 14 28.832 5.791 13.253 113 H ALA 15 HN ALA 15 30.622 -0.656 12.251 114 HA ALA 15 HA ALA 15 28.189 -2.046 12.697 115 HB1 ALA 15 HB1 ALA 15 30.657 -2.888 11.157 116 HB2 ALA 15 HB2 ALA 15 29.247 -2.053 10.506 117 HB3 ALA 15 HB3 ALA 15 29.104 -3.717 11.074 118 H ILE 16 HN ILE 16 31.541 -2.841 13.600 119 HA ILE 16 HA ILE 16 30.727 -5.420 14.702 120 HB ILE 16 HB ILE 16 33.270 -3.769 14.881 121 HG12 ILE 16 HG13 ILE 16 34.140 -5.988 13.828 122 HG13 ILE 16 HG12 ILE 16 32.444 -6.339 13.517 123 HG21 ILE 16 HG21 ILE 16 33.202 -4.806 17.021 124 HG22 ILE 16 HG22 ILE 16 34.216 -5.862 16.038 125 HG23 ILE 16 HG23 ILE 16 32.539 -6.301 16.363 126 HD11 ILE 16 HD11 ILE 16 32.222 -4.296 12.204 127 HD12 ILE 16 HD12 ILE 16 33.587 -5.227 11.593 128 HD13 ILE 16 HD13 ILE 16 33.869 -3.820 12.617 129 H HIS 17 HN HIS 17 30.964 -2.128 15.748 130 HA HIS 17 HA HIS 17 30.795 -2.722 18.584 131 HB2 HIS 17 HB3 HIS 17 31.183 -0.487 18.794 132 HB3 HIS 17 HB2 HIS 17 31.215 -0.388 17.047 133 HD1 HIS 17 HD1 HIS 17 29.144 0.610 15.865 134 HD2 HIS 17 HD2 HIS 17 28.691 0.228 19.986 135 HE1 HIS 17 HE1 HIS 17 27.025 1.852 16.459 136 HE2 HIS 17 HE2 HIS 17 26.741 1.648 18.976 137 H ARG 18 HN ARG 18 28.686 -3.014 16.006 138 HA ARG 18 HA ARG 18 26.239 -2.602 17.640 139 HB2 ARG 18 HB3 ARG 18 26.682 -3.243 14.721 140 HB3 ARG 18 HB2 ARG 18 25.090 -3.284 15.484 141 HG2 ARG 18 HG3 ARG 18 25.303 -0.956 16.157 142 HG3 ARG 18 HG2 ARG 18 26.946 -0.892 15.525 143 HD2 ARG 18 HD3 ARG 18 24.929 0.005 14.064 144 HD3 ARG 18 HD2 ARG 18 26.237 -0.899 13.301 145 HE ARG 18 HE ARG 18 24.481 -2.889 13.943 146 HH11 ARG 18 HH11 ARG 18 22.745 -3.531 12.650 147 HH12 ARG 18 HH12 ARG 18 22.023 -2.392 11.563 148 HH21 ARG 18 HH21 ARG 18 24.151 0.199 12.446 149 HH22 ARG 18 HH22 ARG 18 22.818 -0.279 11.451 150 H LEU 19 HN LEU 19 28.267 -5.083 16.279 151 HA LEU 19 HA LEU 19 26.513 -7.304 16.660 152 HB2 LEU 19 HB3 LEU 19 28.418 -7.854 15.416 153 HB3 LEU 19 HB2 LEU 19 29.481 -6.892 16.432 154 HG LEU 19 HG LEU 19 29.323 -8.606 18.218 155 HD11 LEU 19 HD11 LEU 19 28.175 -10.697 17.850 156 HD12 LEU 19 HD12 LEU 19 27.825 -10.277 16.174 157 HD13 LEU 19 HD13 LEU 19 27.014 -9.426 17.483 158 HD21 LEU 19 HD21 LEU 19 30.087 -9.616 15.465 159 HD22 LEU 19 HD22 LEU 19 30.535 -10.410 16.974 160 HD23 LEU 19 HD23 LEU 19 31.137 -8.792 16.618 161 H ILE 20 HN ILE 20 28.759 -5.593 18.792 162 HA ILE 20 HA ILE 20 28.355 -7.358 21.059 163 HB ILE 20 HB ILE 20 30.145 -6.129 21.783 164 HG12 ILE 20 HG13 ILE 20 28.283 -3.722 21.897 165 HG13 ILE 20 HG12 ILE 20 28.438 -4.925 23.175 166 HG21 ILE 20 HG21 ILE 20 30.461 -5.456 19.462 167 HG22 ILE 20 HG22 ILE 20 30.886 -4.122 20.529 168 HG23 ILE 20 HG23 ILE 20 29.342 -4.128 19.693 169 HD11 ILE 20 HD11 ILE 20 30.939 -4.359 23.169 170 HD12 ILE 20 HD12 ILE 20 29.856 -3.125 23.811 171 HD13 ILE 20 HD13 ILE 20 30.508 -2.964 22.181 172 H ARG 21 HN ARG 21 26.970 -4.195 20.184 173 HA ARG 21 HA ARG 21 25.220 -3.940 22.366 174 HB2 ARG 21 HB3 ARG 21 24.865 -3.083 19.485 175 HB3 ARG 21 HB2 ARG 21 23.791 -2.583 20.794 176 HG2 ARG 21 HG3 ARG 21 25.618 -1.527 21.975 177 HG3 ARG 21 HG2 ARG 21 26.787 -2.158 20.817 178 HD2 ARG 21 HD3 ARG 21 26.193 0.232 20.401 179 HD3 ARG 21 HD2 ARG 21 25.821 -0.818 19.039 180 HE ARG 21 HE ARG 21 23.499 -0.676 20.656 181 HH11 ARG 21 HH11 ARG 21 21.827 0.724 20.068 182 HH12 ARG 21 HH12 ARG 21 22.163 2.062 19.020 183 HH21 ARG 21 HH21 ARG 21 25.535 1.313 18.710 184 HH22 ARG 21 HH22 ARG 21 24.263 2.396 18.251 185 H ARG 22 HN ARG 22 24.838 -5.679 19.325 186 HA ARG 22 HA ARG 22 22.141 -6.589 19.900 187 HB2 ARG 22 HB3 ARG 22 24.290 -7.477 17.967 188 HB3 ARG 22 HB2 ARG 22 22.761 -8.346 18.111 189 HG2 ARG 22 HG3 ARG 22 21.508 -6.347 17.534 190 HG3 ARG 22 HG2 ARG 22 22.982 -5.376 17.545 191 HD2 ARG 22 HD3 ARG 22 22.270 -6.035 15.242 192 HD3 ARG 22 HD2 ARG 22 23.877 -6.627 15.664 193 HE ARG 22 HE ARG 22 22.223 -8.719 16.378 194 HH11 ARG 22 HH11 ARG 22 21.618 -10.365 14.953 195 HH12 ARG 22 HH12 ARG 22 21.623 -10.063 13.248 196 HH21 ARG 22 HH21 ARG 22 22.694 -6.778 13.568 197 HH22 ARG 22 HH22 ARG 22 22.233 -8.030 12.463 198 H ARG 23 HN ARG 23 25.247 -7.382 21.033 199 HA ARG 23 HA ARG 23 24.382 -10.080 21.986 200 HB2 ARG 23 HB3 ARG 23 26.636 -9.603 20.723 201 HB3 ARG 23 HB2 ARG 23 27.172 -8.967 22.274 202 HG2 ARG 23 HG3 ARG 23 27.790 -11.179 22.581 203 HG3 ARG 23 HG2 ARG 23 26.129 -11.291 23.162 204 HD2 ARG 23 HD3 ARG 23 25.502 -11.826 20.716 205 HD3 ARG 23 HD2 ARG 23 27.227 -12.087 20.461 206 HE ARG 23 HE ARG 23 26.140 -13.562 22.741 207 HH11 ARG 23 HH11 ARG 23 26.168 -15.813 22.521 208 HH12 ARG 23 HH12 ARG 23 26.443 -16.514 20.961 209 HH21 ARG 23 HH21 ARG 23 26.750 -13.458 19.348 210 HH22 ARG 23 HH22 ARG 23 26.774 -15.181 19.165 211 H ARG 24 HN ARG 24 23.464 -7.507 23.198 212 HA ARG 24 HA ARG 24 24.902 -6.910 25.577 213 HB2 ARG 24 HB3 ARG 24 22.017 -6.650 24.743 214 HB3 ARG 24 HB2 ARG 24 22.453 -6.341 26.424 215 HG2 ARG 24 HG3 ARG 24 23.914 -4.560 25.828 216 HG3 ARG 24 HG2 ARG 24 23.912 -5.024 24.128 217 HD2 ARG 24 HD3 ARG 24 21.380 -4.190 25.550 218 HD3 ARG 24 HD2 ARG 24 22.445 -3.012 24.781 219 HE ARG 24 HE ARG 24 21.831 -5.133 22.938 220 HH11 ARG 24 HH11 ARG 24 20.352 -4.678 21.289 221 HH12 ARG 24 HH12 ARG 24 19.294 -3.314 21.445 222 HH21 ARG 24 HH21 ARG 24 20.535 -2.369 24.543 223 HH22 ARG 24 HH22 ARG 24 19.398 -2.008 23.288 224 H ARG 25 HN ARG 25 25.632 -8.994 26.296 225 HA ARG 25 HA ARG 25 23.968 -11.193 26.948 226 HB2 ARG 25 HB3 ARG 25 25.820 -11.916 28.409 227 HB3 ARG 25 HB2 ARG 25 26.434 -11.323 26.865 228 HG2 ARG 25 HG3 ARG 25 26.680 -9.041 28.028 229 HG3 ARG 25 HG2 ARG 25 26.452 -9.919 29.540 230 HD2 ARG 25 HD3 ARG 25 28.334 -11.480 28.697 231 HD3 ARG 25 HD2 ARG 25 28.682 -10.205 27.527 232 HE ARG 25 HE ARG 25 28.514 -9.119 30.195 233 HH11 ARG 25 HH11 ARG 25 30.453 -8.520 31.185 234 HH12 ARG 25 HH12 ARG 25 31.952 -9.124 30.560 235 HH21 ARG 25 HH21 ARG 25 30.462 -10.954 28.019 236 HH22 ARG 25 HH22 ARG 25 31.958 -10.499 28.767 Start of MODEL 7 1 H1 PHE 1 H1 PHE 1 42.682 2.737 18.488 2 H2 PHE 1 H2 PHE 1 41.864 3.195 19.905 3 H3 PHE 1 H3 PHE 1 43.332 3.941 19.489 4 HA PHE 1 HA PHE 1 41.780 4.360 17.293 5 HB2 PHE 1 HB3 PHE 1 40.122 5.070 19.718 6 HB3 PHE 1 HB2 PHE 1 39.639 5.052 18.021 7 HD1 PHE 1 HD1 PHE 1 39.671 2.773 16.796 8 HD2 PHE 1 HD2 PHE 1 39.757 3.173 21.072 9 HE1 PHE 1 HE1 PHE 1 38.901 0.427 17.030 10 HE2 PHE 1 HE2 PHE 1 38.986 0.827 21.307 11 HZ PHE 1 HZ PHE 1 38.559 -0.546 19.286 12 H ILE 2 HN ILE 2 43.270 5.994 16.897 13 HA ILE 2 HA ILE 2 43.814 7.995 19.020 14 HB ILE 2 HB ILE 2 45.002 7.701 16.243 15 HG12 ILE 2 HG13 ILE 2 46.218 7.055 18.946 16 HG13 ILE 2 HG12 ILE 2 45.472 5.843 17.906 17 HG21 ILE 2 HG21 ILE 2 45.082 10.029 17.215 18 HG22 ILE 2 HG22 ILE 2 46.670 9.308 17.002 19 HG23 ILE 2 HG23 ILE 2 45.938 9.367 18.602 20 HD11 ILE 2 HD11 ILE 2 47.905 7.543 17.308 21 HD12 ILE 2 HD12 ILE 2 47.063 6.610 16.070 22 HD13 ILE 2 HD13 ILE 2 47.823 5.786 17.431 23 H HIS 3 HN HIS 3 43.655 8.723 15.562 24 HA HIS 3 HA HIS 3 41.154 10.223 15.892 25 HB2 HIS 3 HB3 HIS 3 42.168 12.402 15.340 26 HB3 HIS 3 HB2 HIS 3 42.797 11.763 16.857 27 HD1 HIS 3 HD1 HIS 3 44.520 13.787 15.442 28 HD2 HIS 3 HD2 HIS 3 44.844 9.698 14.665 29 HE1 HIS 3 HE1 HIS 3 46.834 13.410 14.485 30 HE2 HIS 3 HE2 HIS 3 47.028 10.936 13.987 31 H HIS 4 HN HIS 4 43.535 8.782 13.926 32 HA HIS 4 HA HIS 4 41.993 9.541 11.471 33 HB2 HIS 4 HB3 HIS 4 44.044 9.556 10.183 34 HB3 HIS 4 HB2 HIS 4 44.225 10.665 11.541 35 HD1 HIS 4 HD1 HIS 4 46.373 10.382 12.764 36 HD2 HIS 4 HD2 HIS 4 45.116 6.824 11.007 37 HE1 HIS 4 HE1 HIS 4 48.181 8.671 13.247 38 HE2 HIS 4 HE2 HIS 4 47.429 6.498 12.175 39 H ILE 5 HN ILE 5 43.673 7.083 13.303 40 HA ILE 5 HA ILE 5 43.397 5.021 11.280 41 HB ILE 5 HB ILE 5 43.821 3.461 13.157 42 HG12 ILE 5 HG13 ILE 5 43.426 5.981 14.791 43 HG13 ILE 5 HG12 ILE 5 42.523 4.471 14.909 44 HG21 ILE 5 HG21 ILE 5 45.595 5.882 13.511 45 HG22 ILE 5 HG22 ILE 5 45.673 4.867 12.069 46 HG23 ILE 5 HG23 ILE 5 46.040 4.183 13.648 47 HD11 ILE 5 HD11 ILE 5 45.377 5.011 15.727 48 HD12 ILE 5 HD12 ILE 5 44.778 3.370 15.482 49 HD13 ILE 5 HD13 ILE 5 44.056 4.397 16.721 50 H ILE 6 HN ILE 6 41.266 6.724 13.270 51 HA ILE 6 HA ILE 6 39.310 4.629 13.700 52 HB ILE 6 HB ILE 6 37.831 6.847 14.040 53 HG12 ILE 6 HG13 ILE 6 40.641 7.877 14.501 54 HG13 ILE 6 HG12 ILE 6 39.735 8.238 13.036 55 HG21 ILE 6 HG21 ILE 6 38.506 5.261 15.816 56 HG22 ILE 6 HG22 ILE 6 38.623 6.935 16.361 57 HG23 ILE 6 HG23 ILE 6 40.080 6.051 15.909 58 HD11 ILE 6 HD11 ILE 6 37.863 9.076 14.583 59 HD12 ILE 6 HD12 ILE 6 39.310 10.071 14.484 60 HD13 ILE 6 HD13 ILE 6 39.064 9.015 15.874 61 H GLY 7 HN GLY 7 39.222 7.515 11.577 62 HA2 GLY 7 HA3 GLY 7 36.961 6.668 10.083 63 HA3 GLY 7 HA2 GLY 7 38.181 7.806 9.497 64 H GLY 8 HN GLY 8 39.786 5.114 10.415 65 HA2 GLY 8 HA3 GLY 8 39.975 4.126 7.608 66 HA3 GLY 8 HA2 GLY 8 41.155 3.823 8.890 67 H LEU 9 HN LEU 9 39.128 3.128 10.874 68 HA LEU 9 HA LEU 9 38.056 0.554 9.775 69 HB2 LEU 9 HB3 LEU 9 38.741 -0.592 11.820 70 HB3 LEU 9 HB2 LEU 9 40.146 0.134 11.047 71 HG LEU 9 HG LEU 9 39.326 2.200 12.690 72 HD11 LEU 9 HD11 LEU 9 38.640 1.400 14.811 73 HD12 LEU 9 HD12 LEU 9 39.033 -0.271 14.407 74 HD13 LEU 9 HD13 LEU 9 37.633 0.506 13.674 75 HD21 LEU 9 HD21 LEU 9 41.202 1.556 14.151 76 HD22 LEU 9 HD22 LEU 9 41.632 1.324 12.456 77 HD23 LEU 9 HD23 LEU 9 41.200 -0.064 13.454 78 H PHE 10 HN PHE 10 37.845 3.156 12.127 79 HA PHE 10 HA PHE 10 35.737 2.500 13.747 80 HB2 PHE 10 HB3 PHE 10 36.971 4.701 13.601 81 HB3 PHE 10 HB2 PHE 10 35.908 5.130 12.258 82 HD1 PHE 10 HD1 PHE 10 35.844 3.916 15.793 83 HD2 PHE 10 HD2 PHE 10 33.813 6.095 12.702 84 HE1 PHE 10 HE1 PHE 10 34.100 4.603 17.425 85 HE2 PHE 10 HE2 PHE 10 32.068 6.784 14.330 86 HZ PHE 10 HZ PHE 10 32.213 6.037 16.692 87 H SER 11 HN SER 11 35.573 3.142 10.288 88 HA SER 11 HA SER 11 32.749 3.485 10.068 89 HB2 SER 11 HB3 SER 11 33.041 3.178 7.762 90 HB3 SER 11 HB2 SER 11 34.656 3.686 8.259 91 HG SER 11 HG SER 11 34.846 1.834 7.025 92 H ALA 12 HN ALA 12 34.774 0.558 9.949 93 HA ALA 12 HA ALA 12 32.378 -1.169 9.932 94 HB1 ALA 12 HB1 ALA 12 34.104 -3.014 10.080 95 HB2 ALA 12 HB2 ALA 12 35.348 -1.766 10.003 96 HB3 ALA 12 HB3 ALA 12 34.244 -1.997 8.646 97 H GLY 13 HN GLY 13 34.805 0.088 12.113 98 HA2 GLY 13 HA3 GLY 13 34.557 -1.647 14.306 99 HA3 GLY 13 HA2 GLY 13 34.815 0.097 14.467 100 H LYS 14 HN LYS 14 32.484 1.037 13.283 101 HA LYS 14 HA LYS 14 30.601 0.980 15.414 102 HB2 LYS 14 HB3 LYS 14 30.368 1.677 12.481 103 HB3 LYS 14 HB2 LYS 14 28.972 1.769 13.557 104 HG2 LYS 14 HG3 LYS 14 29.963 3.446 14.898 105 HG3 LYS 14 HG2 LYS 14 31.581 3.120 14.267 106 HD2 LYS 14 HD3 LYS 14 30.557 5.209 13.337 107 HD3 LYS 14 HD2 LYS 14 30.976 4.025 12.099 108 HE2 LYS 14 HE3 LYS 14 28.645 5.131 11.937 109 HE3 LYS 14 HE2 LYS 14 28.722 3.376 11.791 110 HZ1 LYS 14 HZ1 LYS 14 28.462 4.373 14.494 111 HZ2 LYS 14 HZ2 LYS 14 27.666 3.081 13.729 112 HZ3 LYS 14 HZ3 LYS 14 27.124 4.675 13.497 113 H ALA 15 HN ALA 15 30.616 -0.783 12.319 114 HA ALA 15 HA ALA 15 28.252 -2.308 12.704 115 HB1 ALA 15 HB1 ALA 15 29.231 -3.889 11.091 116 HB2 ALA 15 HB2 ALA 15 30.800 -3.109 11.281 117 HB3 ALA 15 HB3 ALA 15 29.458 -2.223 10.558 118 H ILE 16 HN ILE 16 31.613 -2.899 13.743 119 HA ILE 16 HA ILE 16 30.894 -5.515 14.834 120 HB ILE 16 HB ILE 16 33.332 -3.724 15.137 121 HG12 ILE 16 HG13 ILE 16 34.380 -5.889 14.131 122 HG13 ILE 16 HG12 ILE 16 32.725 -6.335 13.731 123 HG21 ILE 16 HG21 ILE 16 32.661 -6.301 16.571 124 HG22 ILE 16 HG22 ILE 16 33.196 -4.772 17.270 125 HG23 ILE 16 HG23 ILE 16 34.325 -5.762 16.346 126 HD11 ILE 16 HD11 ILE 16 34.027 -3.725 12.910 127 HD12 ILE 16 HD12 ILE 16 32.453 -4.330 12.396 128 HD13 ILE 16 HD13 ILE 16 33.922 -5.148 11.876 129 H HIS 17 HN HIS 17 30.971 -2.197 15.862 130 HA HIS 17 HA HIS 17 30.634 -2.786 18.686 131 HB2 HIS 17 HB3 HIS 17 30.994 -0.547 18.885 132 HB3 HIS 17 HB2 HIS 17 31.080 -0.454 17.139 133 HD1 HIS 17 HD1 HIS 17 29.018 0.481 15.884 134 HD2 HIS 17 HD2 HIS 17 28.458 0.148 19.997 135 HE1 HIS 17 HE1 HIS 17 26.893 1.741 16.406 136 HE2 HIS 17 HE2 HIS 17 26.533 1.553 18.917 137 H ARG 18 HN ARG 18 28.707 -3.144 15.981 138 HA ARG 18 HA ARG 18 26.148 -2.777 17.448 139 HB2 ARG 18 HB3 ARG 18 26.835 -3.333 14.562 140 HB3 ARG 18 HB2 ARG 18 25.194 -3.519 15.181 141 HG2 ARG 18 HG3 ARG 18 25.175 -1.204 15.938 142 HG3 ARG 18 HG2 ARG 18 26.852 -0.998 15.441 143 HD2 ARG 18 HD3 ARG 18 24.991 -0.153 13.835 144 HD3 ARG 18 HD2 ARG 18 26.314 -1.092 13.149 145 HE ARG 18 HE ARG 18 24.434 -3.013 13.740 146 HH11 ARG 18 HH11 ARG 18 22.795 -3.629 12.308 147 HH12 ARG 18 HH12 ARG 18 22.252 -2.508 11.104 148 HH21 ARG 18 HH21 ARG 18 24.434 0.004 12.079 149 HH22 ARG 18 HH22 ARG 18 23.177 -0.451 10.976 150 H LEU 19 HN LEU 19 28.351 -5.207 16.320 151 HA LEU 19 HA LEU 19 26.588 -7.463 16.543 152 HB2 LEU 19 HB3 LEU 19 28.561 -8.016 15.422 153 HB3 LEU 19 HB2 LEU 19 29.551 -6.998 16.456 154 HG LEU 19 HG LEU 19 29.352 -8.673 18.283 155 HD11 LEU 19 HD11 LEU 19 28.262 -10.775 17.956 156 HD12 LEU 19 HD12 LEU 19 28.070 -10.494 16.227 157 HD13 LEU 19 HD13 LEU 19 27.106 -9.579 17.381 158 HD21 LEU 19 HD21 LEU 19 30.294 -9.741 15.607 159 HD22 LEU 19 HD22 LEU 19 30.715 -10.439 17.171 160 HD23 LEU 19 HD23 LEU 19 31.249 -8.810 16.759 161 H ILE 20 HN ILE 20 28.646 -5.690 18.796 162 HA ILE 20 HA ILE 20 28.135 -7.465 21.044 163 HB ILE 20 HB ILE 20 29.866 -6.204 21.860 164 HG12 ILE 20 HG13 ILE 20 27.950 -3.836 21.883 165 HG13 ILE 20 HG12 ILE 20 28.056 -5.046 23.160 166 HG21 ILE 20 HG21 ILE 20 30.299 -5.507 19.561 167 HG22 ILE 20 HG22 ILE 20 30.640 -4.176 20.664 168 HG23 ILE 20 HG23 ILE 20 29.145 -4.197 19.742 169 HD11 ILE 20 HD11 ILE 20 29.369 -3.091 23.781 170 HD12 ILE 20 HD12 ILE 20 30.245 -3.157 22.252 171 HD13 ILE 20 HD13 ILE 20 30.464 -4.433 23.450 172 H ARG 21 HN ARG 21 26.773 -4.321 20.058 173 HA ARG 21 HA ARG 21 24.872 -4.081 22.117 174 HB2 ARG 21 HB3 ARG 21 24.695 -3.230 19.218 175 HB3 ARG 21 HB2 ARG 21 23.542 -2.737 20.461 176 HG2 ARG 21 HG3 ARG 21 25.264 -1.640 21.733 177 HG3 ARG 21 HG2 ARG 21 26.525 -2.299 20.693 178 HD2 ARG 21 HD3 ARG 21 25.863 0.119 20.242 179 HD3 ARG 21 HD2 ARG 21 25.838 -0.960 18.850 180 HE ARG 21 HE ARG 21 23.262 -0.749 20.221 181 HH11 ARG 21 HH11 ARG 21 21.611 0.212 19.005 182 HH12 ARG 21 HH12 ARG 21 22.012 1.075 17.559 183 HH21 ARG 21 HH21 ARG 21 25.419 0.500 17.840 184 HH22 ARG 21 HH22 ARG 21 24.165 1.239 16.899 185 H ARG 22 HN ARG 22 24.699 -5.798 19.033 186 HA ARG 22 HA ARG 22 21.989 -6.727 19.415 187 HB2 ARG 22 HB3 ARG 22 24.274 -7.745 17.706 188 HB3 ARG 22 HB2 ARG 22 22.658 -8.452 17.679 189 HG2 ARG 22 HG3 ARG 22 21.675 -6.407 16.913 190 HG3 ARG 22 HG2 ARG 22 23.161 -5.506 17.217 191 HD2 ARG 22 HD3 ARG 22 23.045 -7.815 15.273 192 HD3 ARG 22 HD2 ARG 22 22.723 -6.152 14.784 193 HE ARG 22 HE ARG 22 25.201 -6.263 16.210 194 HH11 ARG 22 HH11 ARG 22 27.118 -6.168 15.003 195 HH12 ARG 22 HH12 ARG 22 27.077 -6.526 13.310 196 HH21 ARG 22 HH21 ARG 22 23.668 -7.151 13.253 197 HH22 ARG 22 HH22 ARG 22 25.125 -7.082 12.320 198 H ARG 23 HN ARG 23 25.014 -7.526 20.770 199 HA ARG 23 HA ARG 23 24.081 -10.210 21.685 200 HB2 ARG 23 HB3 ARG 23 26.432 -9.755 20.657 201 HB3 ARG 23 HB2 ARG 23 26.809 -9.020 22.213 202 HG2 ARG 23 HG3 ARG 23 27.443 -11.207 22.674 203 HG3 ARG 23 HG2 ARG 23 25.751 -11.301 23.153 204 HD2 ARG 23 HD3 ARG 23 25.338 -11.950 20.651 205 HD3 ARG 23 HD2 ARG 23 27.063 -12.322 20.645 206 HE ARG 23 HE ARG 23 25.781 -13.553 22.912 207 HH11 ARG 23 HH11 ARG 23 25.442 -15.786 22.820 208 HH12 ARG 23 HH12 ARG 23 25.505 -16.595 21.290 209 HH21 ARG 23 HH21 ARG 23 26.179 -13.709 19.492 210 HH22 ARG 23 HH22 ARG 23 25.922 -15.418 19.406 211 H ARG 24 HN ARG 24 23.038 -7.607 22.778 212 HA ARG 24 HA ARG 24 24.226 -7.043 25.305 213 HB2 ARG 24 HB3 ARG 24 21.480 -6.672 24.129 214 HB3 ARG 24 HB2 ARG 24 21.687 -6.430 25.863 215 HG2 ARG 24 HG3 ARG 24 23.359 -4.728 25.500 216 HG3 ARG 24 HG2 ARG 24 23.398 -5.063 23.769 217 HD2 ARG 24 HD3 ARG 24 22.035 -3.097 24.091 218 HD3 ARG 24 HD2 ARG 24 20.954 -4.428 23.679 219 HE ARG 24 HE ARG 24 21.208 -4.280 26.524 220 HH11 ARG 24 HH11 ARG 24 19.510 -3.358 27.696 221 HH12 ARG 24 HH12 ARG 24 18.378 -2.326 26.888 222 HH21 ARG 24 HH21 ARG 24 19.909 -2.628 23.791 223 HH22 ARG 24 HH22 ARG 24 18.602 -1.914 24.676 224 H ARG 25 HN ARG 25 24.818 -9.143 26.090 225 HA ARG 25 HA ARG 25 23.035 -11.302 26.515 226 HB2 ARG 25 HB3 ARG 25 25.282 -10.682 28.432 227 HB3 ARG 25 HB2 ARG 25 24.726 -12.251 27.845 228 HG2 ARG 25 HG3 ARG 25 25.456 -11.431 25.507 229 HG3 ARG 25 HG2 ARG 25 26.324 -10.158 26.364 230 HD2 ARG 25 HD3 ARG 25 27.928 -11.878 26.114 231 HD3 ARG 25 HD2 ARG 25 27.353 -12.071 27.770 232 HE ARG 25 HE ARG 25 25.800 -13.674 25.926 233 HH11 ARG 25 HH11 ARG 25 26.133 -15.908 26.007 234 HH12 ARG 25 HH12 ARG 25 27.551 -16.532 26.782 235 HH21 ARG 25 HH21 ARG 25 28.782 -13.403 27.634 236 HH22 ARG 25 HH22 ARG 25 29.050 -15.113 27.706 Start of MODEL 8 1 H1 PHE 1 H1 PHE 1 45.377 7.046 18.196 2 H2 PHE 1 H2 PHE 1 44.893 5.427 18.012 3 H3 PHE 1 H3 PHE 1 45.029 6.105 19.565 4 HA PHE 1 HA PHE 1 42.846 6.204 17.707 5 HB2 PHE 1 HB3 PHE 1 43.259 6.760 20.656 6 HB3 PHE 1 HB2 PHE 1 41.688 6.886 19.866 7 HD1 PHE 1 HD1 PHE 1 40.875 4.827 18.508 8 HD2 PHE 1 HD2 PHE 1 44.019 4.665 21.432 9 HE1 PHE 1 HE1 PHE 1 40.569 2.374 18.704 10 HE2 PHE 1 HE2 PHE 1 43.711 2.212 21.627 11 HZ PHE 1 HZ PHE 1 41.987 1.066 20.263 12 H ILE 2 HN ILE 2 44.338 8.081 16.585 13 HA ILE 2 HA ILE 2 44.038 10.702 17.813 14 HB ILE 2 HB ILE 2 44.718 10.004 14.938 15 HG12 ILE 2 HG13 ILE 2 46.519 10.458 17.338 16 HG13 ILE 2 HG12 ILE 2 46.243 8.911 16.538 17 HG21 ILE 2 HG21 ILE 2 44.026 12.441 15.684 18 HG22 ILE 2 HG22 ILE 2 45.464 12.216 14.697 19 HG23 ILE 2 HG23 ILE 2 45.617 12.465 16.435 20 HD11 ILE 2 HD11 ILE 2 47.053 10.045 14.390 21 HD12 ILE 2 HD12 ILE 2 48.280 9.744 15.621 22 HD13 ILE 2 HD13 ILE 2 47.611 11.364 15.419 23 H HIS 3 HN HIS 3 43.126 10.598 14.474 24 HA HIS 3 HA HIS 3 40.245 10.673 15.040 25 HB2 HIS 3 HB3 HIS 3 39.957 12.940 14.113 26 HB3 HIS 3 HB2 HIS 3 40.936 12.962 15.576 27 HD1 HIS 3 HD1 HIS 3 41.260 15.302 13.706 28 HD2 HIS 3 HD2 HIS 3 43.579 11.851 13.335 29 HE1 HIS 3 HE1 HIS 3 43.367 15.970 12.471 30 HE2 HIS 3 HE2 HIS 3 44.766 13.876 12.219 31 H HIS 4 HN HIS 4 42.875 10.291 12.923 32 HA HIS 4 HA HIS 4 41.077 10.084 10.536 33 HB2 HIS 4 HB3 HIS 4 43.030 10.293 9.171 34 HB3 HIS 4 HB2 HIS 4 43.176 11.530 10.418 35 HD1 HIS 4 HD1 HIS 4 45.392 11.561 11.564 36 HD2 HIS 4 HD2 HIS 4 44.487 7.786 10.053 37 HE1 HIS 4 HE1 HIS 4 47.406 10.099 12.045 38 HE2 HIS 4 HE2 HIS 4 46.866 7.795 11.131 39 H ILE 5 HN ILE 5 42.755 8.301 12.892 40 HA ILE 5 HA ILE 5 43.054 5.890 11.261 41 HB ILE 5 HB ILE 5 43.981 4.878 13.188 42 HG12 ILE 5 HG13 ILE 5 42.206 5.330 14.822 43 HG13 ILE 5 HG12 ILE 5 43.755 5.841 15.475 44 HG21 ILE 5 HG21 ILE 5 44.572 7.846 13.391 45 HG22 ILE 5 HG22 ILE 5 45.353 6.710 12.290 46 HG23 ILE 5 HG23 ILE 5 45.582 6.549 14.030 47 HD11 ILE 5 HD11 ILE 5 42.153 7.577 15.950 48 HD12 ILE 5 HD12 ILE 5 41.626 7.618 14.279 49 HD13 ILE 5 HD13 ILE 5 43.235 8.183 14.701 50 H ILE 6 HN ILE 6 40.464 7.482 12.635 51 HA ILE 6 HA ILE 6 38.972 5.055 13.405 52 HB ILE 6 HB ILE 6 37.086 6.975 13.526 53 HG12 ILE 6 HG13 ILE 6 39.569 8.600 14.071 54 HG13 ILE 6 HG12 ILE 6 38.851 8.576 12.467 55 HG21 ILE 6 HG21 ILE 6 39.363 6.542 15.470 56 HG22 ILE 6 HG22 ILE 6 37.782 5.761 15.478 57 HG23 ILE 6 HG23 ILE 6 37.919 7.477 15.859 58 HD11 ILE 6 HD11 ILE 6 38.000 10.458 13.834 59 HD12 ILE 6 HD12 ILE 6 37.391 9.302 15.017 60 HD13 ILE 6 HD13 ILE 6 36.714 9.336 13.389 61 H GLY 7 HN GLY 7 38.531 7.686 11.014 62 HA2 GLY 7 HA3 GLY 7 36.461 6.397 9.552 63 HA3 GLY 7 HA2 GLY 7 37.542 7.627 8.888 64 H GLY 8 HN GLY 8 39.461 5.300 10.117 65 HA2 GLY 8 HA3 GLY 8 39.958 4.114 7.438 66 HA3 GLY 8 HA2 GLY 8 41.040 4.012 8.832 67 H LEU 9 HN LEU 9 38.981 3.231 10.704 68 HA LEU 9 HA LEU 9 38.192 0.520 9.704 69 HB2 LEU 9 HB3 LEU 9 38.817 -0.404 11.920 70 HB3 LEU 9 HB2 LEU 9 40.207 0.256 11.063 71 HG LEU 9 HG LEU 9 39.354 2.483 12.456 72 HD11 LEU 9 HD11 LEU 9 37.647 1.232 13.699 73 HD12 LEU 9 HD12 LEU 9 38.936 1.743 14.787 74 HD13 LEU 9 HD13 LEU 9 38.862 0.071 14.230 75 HD21 LEU 9 HD21 LEU 9 41.232 2.053 13.974 76 HD22 LEU 9 HD22 LEU 9 41.671 1.594 12.330 77 HD23 LEU 9 HD23 LEU 9 41.244 0.353 13.507 78 H PHE 10 HN PHE 10 37.672 3.199 11.924 79 HA PHE 10 HA PHE 10 35.493 2.408 13.418 80 HB2 PHE 10 HB3 PHE 10 36.674 4.684 13.303 81 HB3 PHE 10 HB2 PHE 10 35.580 5.067 11.971 82 HD1 PHE 10 HD1 PHE 10 33.405 5.848 12.420 83 HD2 PHE 10 HD2 PHE 10 35.625 3.857 15.508 84 HE1 PHE 10 HE1 PHE 10 31.629 6.418 14.061 85 HE2 PHE 10 HE2 PHE 10 33.851 4.423 17.151 86 HZ PHE 10 HZ PHE 10 31.852 5.704 16.426 87 H SER 11 HN SER 11 35.614 2.904 9.956 88 HA SER 11 HA SER 11 32.836 3.264 9.438 89 HB2 SER 11 HB3 SER 11 33.318 2.604 7.183 90 HB3 SER 11 HB2 SER 11 34.760 3.441 7.765 91 HG SER 11 HG SER 11 34.866 1.207 6.686 92 H ALA 12 HN ALA 12 34.748 0.237 9.409 93 HA ALA 12 HA ALA 12 32.275 -1.361 9.441 94 HB1 ALA 12 HB1 ALA 12 34.333 -2.140 8.225 95 HB2 ALA 12 HB2 ALA 12 33.749 -3.295 9.423 96 HB3 ALA 12 HB3 ALA 12 35.146 -2.280 9.784 97 H GLY 13 HN GLY 13 34.715 -0.136 11.607 98 HA2 GLY 13 HA3 GLY 13 34.405 -1.777 13.857 99 HA3 GLY 13 HA2 GLY 13 34.698 -0.034 13.955 100 H LYS 14 HN LYS 14 32.375 0.891 12.707 101 HA LYS 14 HA LYS 14 30.501 0.969 14.850 102 HB2 LYS 14 HB3 LYS 14 30.224 1.494 11.882 103 HB3 LYS 14 HB2 LYS 14 28.865 1.684 12.990 104 HG2 LYS 14 HG3 LYS 14 29.942 3.411 14.206 105 HG3 LYS 14 HG2 LYS 14 31.522 3.020 13.518 106 HD2 LYS 14 HD3 LYS 14 30.574 5.053 12.481 107 HD3 LYS 14 HD2 LYS 14 30.754 3.756 11.302 108 HE2 LYS 14 HE3 LYS 14 28.527 5.030 11.266 109 HE3 LYS 14 HE2 LYS 14 28.423 3.271 11.325 110 HZ1 LYS 14 HZ1 LYS 14 28.400 4.939 13.770 111 HZ2 LYS 14 HZ2 LYS 14 27.940 3.312 13.603 112 HZ3 LYS 14 HZ3 LYS 14 26.978 4.543 12.935 113 H ALA 15 HN ALA 15 30.475 -0.957 11.856 114 HA ALA 15 HA ALA 15 28.108 -2.449 12.348 115 HB1 ALA 15 HB1 ALA 15 29.008 -4.075 10.775 116 HB2 ALA 15 HB2 ALA 15 30.628 -3.408 10.974 117 HB3 ALA 15 HB3 ALA 15 29.369 -2.448 10.194 118 H ILE 16 HN ILE 16 31.477 -2.993 13.345 119 HA ILE 16 HA ILE 16 30.803 -5.539 14.599 120 HB ILE 16 HB ILE 16 33.235 -3.741 14.551 121 HG12 ILE 16 HG13 ILE 16 34.283 -5.922 13.808 122 HG13 ILE 16 HG12 ILE 16 32.668 -6.622 13.802 123 HG21 ILE 16 HG21 ILE 16 32.729 -6.030 16.467 124 HG22 ILE 16 HG22 ILE 16 33.259 -4.392 16.850 125 HG23 ILE 16 HG23 ILE 16 34.355 -5.503 16.031 126 HD11 ILE 16 HD11 ILE 16 33.469 -4.162 12.229 127 HD12 ILE 16 HD12 ILE 16 31.924 -5.009 12.140 128 HD13 ILE 16 HD13 ILE 16 33.393 -5.786 11.555 129 H HIS 17 HN HIS 17 30.883 -2.179 15.455 130 HA HIS 17 HA HIS 17 30.682 -2.620 18.317 131 HB2 HIS 17 HB3 HIS 17 30.981 -0.363 18.401 132 HB3 HIS 17 HB2 HIS 17 31.028 -0.361 16.651 133 HD1 HIS 17 HD1 HIS 17 28.927 0.465 15.394 134 HD2 HIS 17 HD2 HIS 17 28.440 0.318 19.526 135 HE1 HIS 17 HE1 HIS 17 26.758 1.660 15.892 136 HE2 HIS 17 HE2 HIS 17 26.459 1.608 18.412 137 H ARG 18 HN ARG 18 28.625 -3.145 15.738 138 HA ARG 18 HA ARG 18 26.140 -2.739 17.324 139 HB2 ARG 18 HB3 ARG 18 26.665 -3.485 14.440 140 HB3 ARG 18 HB2 ARG 18 25.061 -3.576 15.172 141 HG2 ARG 18 HG3 ARG 18 25.101 -1.227 15.720 142 HG3 ARG 18 HG2 ARG 18 26.783 -1.089 15.217 143 HD2 ARG 18 HD3 ARG 18 24.835 -0.356 13.574 144 HD3 ARG 18 HD2 ARG 18 26.255 -1.187 12.948 145 HE ARG 18 HE ARG 18 24.388 -3.182 13.645 146 HH11 ARG 18 HH11 ARG 18 23.042 -4.070 12.062 147 HH12 ARG 18 HH12 ARG 18 22.740 -3.184 10.604 148 HH21 ARG 18 HH21 ARG 18 24.720 -0.488 11.519 149 HH22 ARG 18 HH22 ARG 18 23.693 -1.157 10.296 150 H LEU 19 HN LEU 19 28.300 -5.193 16.129 151 HA LEU 19 HA LEU 19 26.639 -7.475 16.575 152 HB2 LEU 19 HB3 LEU 19 28.588 -7.990 15.386 153 HB3 LEU 19 HB2 LEU 19 29.586 -6.932 16.371 154 HG LEU 19 HG LEU 19 29.481 -8.570 18.233 155 HD11 LEU 19 HD11 LEU 19 28.114 -10.415 16.251 156 HD12 LEU 19 HD12 LEU 19 27.225 -9.534 17.489 157 HD13 LEU 19 HD13 LEU 19 28.437 -10.724 17.954 158 HD21 LEU 19 HD21 LEU 19 31.253 -8.664 16.454 159 HD22 LEU 19 HD22 LEU 19 30.285 -9.881 15.624 160 HD23 LEU 19 HD23 LEU 19 30.939 -10.217 17.227 161 H ILE 20 HN ILE 20 28.760 -5.563 18.659 162 HA ILE 20 HA ILE 20 28.421 -7.240 21.004 163 HB ILE 20 HB ILE 20 30.125 -5.874 21.690 164 HG12 ILE 20 HG13 ILE 20 28.120 -3.582 21.668 165 HG13 ILE 20 HG12 ILE 20 28.334 -4.709 23.006 166 HG21 ILE 20 HG21 ILE 20 30.782 -3.899 20.356 167 HG22 ILE 20 HG22 ILE 20 29.248 -4.003 19.510 168 HG23 ILE 20 HG23 ILE 20 30.426 -5.290 19.336 169 HD11 ILE 20 HD11 ILE 20 30.298 -2.681 21.930 170 HD12 ILE 20 HD12 ILE 20 30.792 -3.990 23.003 171 HD13 ILE 20 HD13 ILE 20 29.627 -2.786 23.557 172 H ARG 21 HN ARG 21 26.868 -4.230 19.929 173 HA ARG 21 HA ARG 21 25.075 -3.940 22.077 174 HB2 ARG 21 HB3 ARG 21 24.720 -3.275 19.145 175 HB3 ARG 21 HB2 ARG 21 23.601 -2.758 20.408 176 HG2 ARG 21 HG3 ARG 21 25.374 -1.550 21.552 177 HG3 ARG 21 HG2 ARG 21 26.568 -2.150 20.404 178 HD2 ARG 21 HD3 ARG 21 26.044 0.034 19.660 179 HD3 ARG 21 HD2 ARG 21 25.140 -1.035 18.588 180 HE ARG 21 HE ARG 21 23.140 -0.222 19.552 181 HH11 ARG 21 HH11 ARG 21 22.006 1.179 20.921 182 HH12 ARG 21 HH12 ARG 21 22.854 1.998 22.191 183 HH21 ARG 21 HH21 ARG 21 25.924 0.587 21.412 184 HH22 ARG 21 HH22 ARG 21 25.071 1.661 22.470 185 H ARG 22 HN ARG 22 24.839 -5.873 19.138 186 HA ARG 22 HA ARG 22 22.185 -6.884 19.685 187 HB2 ARG 22 HB3 ARG 22 24.470 -7.809 17.935 188 HB3 ARG 22 HB2 ARG 22 23.009 -8.783 18.111 189 HG2 ARG 22 HG3 ARG 22 21.625 -7.017 17.252 190 HG3 ARG 22 HG2 ARG 22 22.956 -5.862 17.318 191 HD2 ARG 22 HD3 ARG 22 22.467 -6.804 15.014 192 HD3 ARG 22 HD2 ARG 22 24.134 -6.988 15.559 193 HE ARG 22 HE ARG 22 22.449 -9.287 16.198 194 HH11 ARG 22 HH11 ARG 22 22.972 -11.196 15.103 195 HH12 ARG 22 HH12 ARG 22 24.018 -11.128 13.725 196 HH21 ARG 22 HH21 ARG 22 24.440 -7.691 13.880 197 HH22 ARG 22 HH22 ARG 22 24.848 -9.146 13.033 198 H ARG 23 HN ARG 23 25.323 -7.492 20.926 199 HA ARG 23 HA ARG 23 24.552 -10.111 22.100 200 HB2 ARG 23 HB3 ARG 23 26.871 -9.599 21.065 201 HB3 ARG 23 HB2 ARG 23 27.166 -8.648 22.518 202 HG2 ARG 23 HG3 ARG 23 27.975 -10.688 23.268 203 HG3 ARG 23 HG2 ARG 23 26.288 -10.893 23.723 204 HD2 ARG 23 HD3 ARG 23 25.934 -11.956 21.429 205 HD3 ARG 23 HD2 ARG 23 27.691 -11.987 21.276 206 HE ARG 23 HE ARG 23 27.051 -13.165 23.768 207 HH11 ARG 23 HH11 ARG 23 26.964 -15.416 23.948 208 HH12 ARG 23 HH12 ARG 23 26.722 -16.377 22.528 209 HH21 ARG 23 HH21 ARG 23 26.566 -13.649 20.392 210 HH22 ARG 23 HH22 ARG 23 26.497 -15.376 20.514 211 H ARG 24 HN ARG 24 23.304 -7.510 22.909 212 HA ARG 24 HA ARG 24 24.347 -6.589 25.382 213 HB2 ARG 24 HB3 ARG 24 22.379 -5.646 23.966 214 HB3 ARG 24 HB2 ARG 24 21.383 -6.815 24.828 215 HG2 ARG 24 HG3 ARG 24 21.166 -4.975 26.238 216 HG3 ARG 24 HG2 ARG 24 22.557 -5.765 26.974 217 HD2 ARG 24 HD3 ARG 24 23.000 -3.368 26.700 218 HD3 ARG 24 HD2 ARG 24 24.064 -4.294 25.643 219 HE ARG 24 HE ARG 24 22.968 -3.328 23.789 220 HH11 ARG 24 HH11 ARG 24 21.414 -1.983 22.849 221 HH12 ARG 24 HH12 ARG 24 20.100 -1.396 23.811 222 HH21 ARG 24 HH21 ARG 24 21.146 -3.005 26.698 223 HH22 ARG 24 HH22 ARG 24 19.947 -1.974 25.990 224 H ARG 25 HN ARG 25 25.097 -8.548 26.397 225 HA ARG 25 HA ARG 25 23.494 -10.792 27.027 226 HB2 ARG 25 HB3 ARG 25 25.137 -11.123 28.921 227 HB3 ARG 25 HB2 ARG 25 25.874 -10.918 27.332 228 HG2 ARG 25 HG3 ARG 25 26.303 -8.557 27.797 229 HG3 ARG 25 HG2 ARG 25 25.492 -8.698 29.358 230 HD2 ARG 25 HD3 ARG 25 27.969 -10.231 28.526 231 HD3 ARG 25 HD2 ARG 25 27.945 -8.839 29.610 232 HE ARG 25 HE ARG 25 27.146 -11.564 30.299 233 HH11 ARG 25 HH11 ARG 25 26.507 -11.868 32.444 234 HH12 ARG 25 HH12 ARG 25 26.161 -10.492 33.435 235 HH21 ARG 25 HH21 ARG 25 26.846 -8.188 30.935 236 HH22 ARG 25 HH22 ARG 25 26.355 -8.407 32.581 Start of MODEL 9 1 H1 PHE 1 H1 PHE 1 45.482 7.365 17.804 2 H2 PHE 1 H2 PHE 1 44.515 6.330 16.864 3 H3 PHE 1 H3 PHE 1 44.903 5.914 18.466 4 HA PHE 1 HA PHE 1 42.583 6.921 17.898 5 HB2 PHE 1 HB3 PHE 1 44.097 8.083 20.241 6 HB3 PHE 1 HB2 PHE 1 42.407 7.582 20.167 7 HD1 PHE 1 HD1 PHE 1 45.900 6.432 20.416 8 HD2 PHE 1 HD2 PHE 1 41.776 5.230 20.296 9 HE1 PHE 1 HE1 PHE 1 46.537 4.166 21.197 10 HE2 PHE 1 HE2 PHE 1 42.414 2.965 21.077 11 HZ PHE 1 HZ PHE 1 44.795 2.432 21.528 12 H ILE 2 HN ILE 2 44.481 8.405 16.176 13 HA ILE 2 HA ILE 2 44.383 11.187 17.041 14 HB ILE 2 HB ILE 2 44.954 10.094 14.267 15 HG12 ILE 2 HG13 ILE 2 46.967 10.816 16.410 16 HG13 ILE 2 HG12 ILE 2 46.402 9.164 16.157 17 HG21 ILE 2 HG21 ILE 2 46.075 12.633 15.444 18 HG22 ILE 2 HG22 ILE 2 44.457 12.646 14.757 19 HG23 ILE 2 HG23 ILE 2 45.832 12.204 13.752 20 HD11 ILE 2 HD11 ILE 2 47.734 10.911 14.066 21 HD12 ILE 2 HD12 ILE 2 47.153 9.266 13.807 22 HD13 ILE 2 HD13 ILE 2 48.492 9.564 14.916 23 H HIS 3 HN HIS 3 43.431 10.822 13.755 24 HA HIS 3 HA HIS 3 40.556 11.037 14.331 25 HB2 HIS 3 HB3 HIS 3 40.344 13.229 13.205 26 HB3 HIS 3 HB2 HIS 3 41.312 13.337 14.671 27 HD1 HIS 3 HD1 HIS 3 41.776 15.533 12.714 28 HD2 HIS 3 HD2 HIS 3 43.891 11.943 12.473 29 HE1 HIS 3 HE1 HIS 3 43.890 16.022 11.410 30 HE2 HIS 3 HE2 HIS 3 45.167 13.843 11.239 31 H HIS 4 HN HIS 4 43.144 10.360 12.252 32 HA HIS 4 HA HIS 4 41.322 10.017 9.900 33 HB2 HIS 4 HB3 HIS 4 43.250 10.097 8.504 34 HB3 HIS 4 HB2 HIS 4 43.456 11.405 9.667 35 HD1 HIS 4 HD1 HIS 4 45.685 11.440 10.787 36 HD2 HIS 4 HD2 HIS 4 44.658 7.613 9.501 37 HE1 HIS 4 HE1 HIS 4 47.671 9.952 11.316 38 HE2 HIS 4 HE2 HIS 4 47.056 7.617 10.536 39 H ILE 5 HN ILE 5 42.878 8.369 12.412 40 HA ILE 5 HA ILE 5 43.124 5.833 10.936 41 HB ILE 5 HB ILE 5 44.105 4.945 12.893 42 HG12 ILE 5 HG13 ILE 5 42.407 5.518 14.552 43 HG13 ILE 5 HG12 ILE 5 43.971 6.087 15.116 44 HG21 ILE 5 HG21 ILE 5 44.750 7.910 12.891 45 HG22 ILE 5 HG22 ILE 5 45.471 6.700 11.830 46 HG23 ILE 5 HG23 ILE 5 45.763 6.634 13.566 47 HD11 ILE 5 HD11 ILE 5 43.400 8.353 14.146 48 HD12 ILE 5 HD12 ILE 5 42.397 7.857 15.506 49 HD13 ILE 5 HD13 ILE 5 41.776 7.739 13.866 50 H ILE 6 HN ILE 6 40.602 7.587 12.039 51 HA ILE 6 HA ILE 6 39.038 5.302 13.121 52 HB ILE 6 HB ILE 6 37.259 7.339 13.126 53 HG12 ILE 6 HG13 ILE 6 39.805 8.877 13.615 54 HG13 ILE 6 HG12 ILE 6 39.198 8.729 11.971 55 HG21 ILE 6 HG21 ILE 6 38.218 7.950 15.420 56 HG22 ILE 6 HG22 ILE 6 39.506 6.797 15.069 57 HG23 ILE 6 HG23 ILE 6 37.832 6.249 15.157 58 HD11 ILE 6 HD11 ILE 6 38.419 10.765 13.337 59 HD12 ILE 6 HD12 ILE 6 37.417 9.624 14.232 60 HD13 ILE 6 HD13 ILE 6 37.178 9.837 12.497 61 H GLY 7 HN GLY 7 38.585 7.810 10.605 62 HA2 GLY 7 HA3 GLY 7 36.451 6.491 9.276 63 HA3 GLY 7 HA2 GLY 7 37.531 7.665 8.515 64 H GLY 8 HN GLY 8 39.440 5.342 9.790 65 HA2 GLY 8 HA3 GLY 8 39.796 4.017 7.154 66 HA3 GLY 8 HA2 GLY 8 40.942 3.970 8.501 67 H LEU 9 HN LEU 9 38.941 3.337 10.502 68 HA LEU 9 HA LEU 9 38.083 0.585 9.688 69 HB2 LEU 9 HB3 LEU 9 38.776 -0.229 11.919 70 HB3 LEU 9 HB2 LEU 9 40.145 0.390 11.000 71 HG LEU 9 HG LEU 9 39.317 2.679 12.310 72 HD11 LEU 9 HD11 LEU 9 38.835 2.150 14.621 73 HD12 LEU 9 HD12 LEU 9 39.020 0.424 14.315 74 HD13 LEU 9 HD13 LEU 9 37.659 1.300 13.621 75 HD21 LEU 9 HD21 LEU 9 41.308 0.563 13.171 76 HD22 LEU 9 HD22 LEU 9 41.195 2.146 13.942 77 HD23 LEU 9 HD23 LEU 9 41.626 2.024 12.235 78 H PHE 10 HN PHE 10 37.660 3.398 11.760 79 HA PHE 10 HA PHE 10 35.561 2.777 13.407 80 HB2 PHE 10 HB3 PHE 10 36.684 5.019 13.035 81 HB3 PHE 10 HB2 PHE 10 35.600 5.248 11.661 82 HD1 PHE 10 HD1 PHE 10 35.585 4.383 15.301 83 HD2 PHE 10 HD2 PHE 10 33.470 6.166 12.017 84 HE1 PHE 10 HE1 PHE 10 33.813 5.153 16.862 85 HE2 PHE 10 HE2 PHE 10 31.697 6.939 13.576 86 HZ PHE 10 HZ PHE 10 31.869 6.431 15.998 87 H SER 11 HN SER 11 35.436 3.038 9.901 88 HA SER 11 HA SER 11 32.598 3.196 9.609 89 HB2 SER 11 HB3 SER 11 34.679 1.923 7.805 90 HB3 SER 11 HB2 SER 11 33.006 2.229 7.339 91 HG SER 11 HG SER 11 35.135 3.959 7.614 92 H ALA 12 HN ALA 12 34.792 0.381 9.720 93 HA ALA 12 HA ALA 12 32.490 -1.463 9.802 94 HB1 ALA 12 HB1 ALA 12 34.444 -2.255 8.607 95 HB2 ALA 12 HB2 ALA 12 34.283 -3.209 10.081 96 HB3 ALA 12 HB3 ALA 12 35.481 -1.919 9.993 97 H GLY 13 HN GLY 13 34.836 0.019 11.945 98 HA2 GLY 13 HA3 GLY 13 34.572 -1.581 14.237 99 HA3 GLY 13 HA2 GLY 13 34.794 0.176 14.293 100 H LYS 14 HN LYS 14 32.480 1.003 13.010 101 HA LYS 14 HA LYS 14 30.541 1.038 15.097 102 HB2 LYS 14 HB3 LYS 14 30.318 1.515 12.115 103 HB3 LYS 14 HB2 LYS 14 28.948 1.718 13.209 104 HG2 LYS 14 HG3 LYS 14 29.986 3.488 14.381 105 HG3 LYS 14 HG2 LYS 14 31.589 3.080 13.757 106 HD2 LYS 14 HD3 LYS 14 30.596 5.096 12.660 107 HD3 LYS 14 HD2 LYS 14 30.955 3.798 11.524 108 HE2 LYS 14 HE3 LYS 14 28.219 4.025 12.774 109 HE3 LYS 14 HE2 LYS 14 28.643 4.983 11.355 110 HZ1 LYS 14 HZ1 LYS 14 27.941 3.150 10.285 111 HZ2 LYS 14 HZ2 LYS 14 28.229 2.118 11.603 112 HZ3 LYS 14 HZ3 LYS 14 29.514 2.596 10.598 113 H ALA 15 HN ALA 15 30.651 -0.887 12.105 114 HA ALA 15 HA ALA 15 28.311 -2.440 12.521 115 HB1 ALA 15 HB1 ALA 15 29.344 -4.068 11.002 116 HB2 ALA 15 HB2 ALA 15 30.909 -3.284 11.212 117 HB3 ALA 15 HB3 ALA 15 29.597 -2.429 10.403 118 H ILE 16 HN ILE 16 31.658 -2.906 13.641 119 HA ILE 16 HA ILE 16 30.987 -5.471 14.864 120 HB ILE 16 HB ILE 16 33.383 -3.622 14.970 121 HG12 ILE 16 HG13 ILE 16 34.486 -5.838 14.242 122 HG13 ILE 16 HG12 ILE 16 32.851 -6.436 13.990 123 HG21 ILE 16 HG21 ILE 16 33.314 -4.360 17.232 124 HG22 ILE 16 HG22 ILE 16 34.450 -5.446 16.432 125 HG23 ILE 16 HG23 ILE 16 32.804 -5.983 16.769 126 HD11 ILE 16 HD11 ILE 16 32.401 -4.639 12.401 127 HD12 ILE 16 HD12 ILE 16 33.863 -5.494 11.917 128 HD13 ILE 16 HD13 ILE 16 33.984 -3.930 12.721 129 H HIS 17 HN HIS 17 30.983 -2.109 15.720 130 HA HIS 17 HA HIS 17 30.665 -2.553 18.569 131 HB2 HIS 17 HB3 HIS 17 30.939 -0.294 18.650 132 HB3 HIS 17 HB2 HIS 17 31.029 -0.293 16.902 133 HD1 HIS 17 HD1 HIS 17 28.937 0.477 15.590 134 HD2 HIS 17 HD2 HIS 17 28.388 0.390 19.717 135 HE1 HIS 17 HE1 HIS 17 26.736 1.637 16.032 136 HE2 HIS 17 HE2 HIS 17 26.392 1.616 18.551 137 H ARG 18 HN ARG 18 28.727 -3.149 15.915 138 HA ARG 18 HA ARG 18 26.171 -2.762 17.385 139 HB2 ARG 18 HB3 ARG 18 26.823 -3.565 14.547 140 HB3 ARG 18 HB2 ARG 18 25.197 -3.689 15.221 141 HG2 ARG 18 HG3 ARG 18 25.187 -1.313 15.749 142 HG3 ARG 18 HG2 ARG 18 26.852 -1.154 15.196 143 HD2 ARG 18 HD3 ARG 18 24.873 -0.510 13.576 144 HD3 ARG 18 HD2 ARG 18 26.268 -1.383 12.943 145 HE ARG 18 HE ARG 18 24.588 -3.421 13.659 146 HH11 ARG 18 HH11 ARG 18 22.965 -4.259 12.324 147 HH12 ARG 18 HH12 ARG 18 22.263 -3.251 11.104 148 HH21 ARG 18 HH21 ARG 18 24.212 -0.491 11.884 149 HH22 ARG 18 HH22 ARG 18 22.971 -1.119 10.853 150 H LEU 19 HN LEU 19 28.390 -5.225 16.288 151 HA LEU 19 HA LEU 19 26.737 -7.505 16.759 152 HB2 LEU 19 HB3 LEU 19 28.713 -8.054 15.639 153 HB3 LEU 19 HB2 LEU 19 29.680 -6.943 16.596 154 HG LEU 19 HG LEU 19 29.559 -8.511 18.525 155 HD11 LEU 19 HD11 LEU 19 27.337 -9.540 17.738 156 HD12 LEU 19 HD12 LEU 19 28.549 -10.678 18.318 157 HD13 LEU 19 HD13 LEU 19 28.293 -10.469 16.587 158 HD21 LEU 19 HD21 LEU 19 30.517 -9.647 15.886 159 HD22 LEU 19 HD22 LEU 19 30.930 -10.331 17.459 160 HD23 LEU 19 HD23 LEU 19 31.455 -8.700 17.041 161 H ILE 20 HN ILE 20 28.787 -5.527 18.856 162 HA ILE 20 HA ILE 20 28.391 -7.169 21.216 163 HB ILE 20 HB ILE 20 30.084 -5.786 21.905 164 HG12 ILE 20 HG13 ILE 20 28.055 -3.514 21.858 165 HG13 ILE 20 HG12 ILE 20 28.250 -4.646 23.194 166 HG21 ILE 20 HG21 ILE 20 30.434 -5.197 19.576 167 HG22 ILE 20 HG22 ILE 20 30.696 -3.771 20.576 168 HG23 ILE 20 HG23 ILE 20 29.194 -3.966 19.688 169 HD11 ILE 20 HD11 ILE 20 29.494 -2.638 23.709 170 HD12 ILE 20 HD12 ILE 20 30.292 -2.676 22.136 171 HD13 ILE 20 HD13 ILE 20 30.656 -3.912 23.339 172 H ARG 21 HN ARG 21 26.871 -4.164 20.079 173 HA ARG 21 HA ARG 21 25.006 -3.859 22.161 174 HB2 ARG 21 HB3 ARG 21 24.723 -3.221 19.210 175 HB3 ARG 21 HB2 ARG 21 23.601 -2.662 20.453 176 HG2 ARG 21 HG3 ARG 21 25.300 -1.385 21.547 177 HG3 ARG 21 HG2 ARG 21 26.577 -2.146 20.602 178 HD2 ARG 21 HD3 ARG 21 26.097 -0.891 18.697 179 HD3 ARG 21 HD2 ARG 21 24.416 -0.638 19.156 180 HE ARG 21 HE ARG 21 26.628 1.066 19.854 181 HH11 ARG 21 HH11 ARG 21 26.193 2.774 21.277 182 HH12 ARG 21 HH12 ARG 21 24.745 2.743 22.226 183 HH21 ARG 21 HH21 ARG 21 23.659 -0.293 20.951 184 HH22 ARG 21 HH22 ARG 21 23.310 1.006 22.041 185 H ARG 22 HN ARG 22 24.837 -5.808 19.221 186 HA ARG 22 HA ARG 22 22.170 -6.811 19.748 187 HB2 ARG 22 HB3 ARG 22 24.460 -7.729 18.000 188 HB3 ARG 22 HB2 ARG 22 22.996 -8.701 18.166 189 HG2 ARG 22 HG3 ARG 22 21.620 -6.920 17.313 190 HG3 ARG 22 HG2 ARG 22 22.964 -5.778 17.373 191 HD2 ARG 22 HD3 ARG 22 22.585 -6.598 15.072 192 HD3 ARG 22 HD2 ARG 22 24.169 -7.083 15.676 193 HE ARG 22 HE ARG 22 22.205 -9.127 16.217 194 HH11 ARG 22 HH11 ARG 22 22.303 -10.999 14.949 195 HH12 ARG 22 HH12 ARG 22 23.187 -10.975 13.460 196 HH21 ARG 22 HH21 ARG 22 24.145 -7.657 13.775 197 HH22 ARG 22 HH22 ARG 22 24.228 -9.084 12.795 198 H ARG 23 HN ARG 23 25.268 -7.362 21.053 199 HA ARG 23 HA ARG 23 24.482 -9.987 22.245 200 HB2 ARG 23 HB3 ARG 23 26.767 -9.552 21.061 201 HB3 ARG 23 HB2 ARG 23 27.183 -8.661 22.522 202 HG2 ARG 23 HG3 ARG 23 27.928 -10.764 23.155 203 HG3 ARG 23 HG2 ARG 23 26.262 -10.877 23.720 204 HD2 ARG 23 HD3 ARG 23 25.692 -11.848 21.432 205 HD3 ARG 23 HD2 ARG 23 27.428 -11.968 21.150 206 HE ARG 23 HE ARG 23 26.595 -13.203 23.658 207 HH11 ARG 23 HH11 ARG 23 26.799 -15.456 23.743 208 HH12 ARG 23 HH12 ARG 23 27.036 -16.344 22.274 209 HH21 ARG 23 HH21 ARG 23 26.984 -13.531 20.250 210 HH22 ARG 23 HH22 ARG 23 27.141 -15.255 20.299 211 H ARG 24 HN ARG 24 23.320 -7.420 23.152 212 HA ARG 24 HA ARG 24 24.594 -6.422 25.483 213 HB2 ARG 24 HB3 ARG 24 22.162 -5.894 26.195 214 HB3 ARG 24 HB2 ARG 24 22.753 -5.167 24.700 215 HG2 ARG 24 HG3 ARG 24 21.560 -6.681 23.340 216 HG3 ARG 24 HG2 ARG 24 21.332 -7.830 24.658 217 HD2 ARG 24 HD3 ARG 24 19.237 -6.648 24.228 218 HD3 ARG 24 HD2 ARG 24 19.869 -6.182 25.808 219 HE ARG 24 HE ARG 24 20.773 -4.371 23.739 220 HH11 ARG 24 HH11 ARG 24 19.854 -2.305 23.740 221 HH12 ARG 24 HH12 ARG 24 18.393 -2.022 24.625 222 HH21 ARG 24 HH21 ARG 24 18.129 -5.290 25.753 223 HH22 ARG 24 HH22 ARG 24 17.415 -3.712 25.763 224 H ARG 25 HN ARG 25 25.476 -8.419 26.406 225 HA ARG 25 HA ARG 25 23.907 -10.592 27.341 226 HB2 ARG 25 HB3 ARG 25 26.378 -9.544 28.735 227 HB3 ARG 25 HB2 ARG 25 25.808 -11.211 28.643 228 HG2 ARG 25 HG3 ARG 25 26.091 -11.020 26.109 229 HG3 ARG 25 HG2 ARG 25 26.971 -9.524 26.420 230 HD2 ARG 25 HD3 ARG 25 28.576 -10.730 27.827 231 HD3 ARG 25 HD2 ARG 25 27.678 -12.231 27.593 232 HE ARG 25 HE ARG 25 28.301 -11.317 25.017 233 HH11 ARG 25 HH11 ARG 25 30.145 -12.060 23.940 234 HH12 ARG 25 HH12 ARG 25 31.472 -12.689 24.856 235 HH21 ARG 25 HH21 ARG 25 29.934 -12.188 27.925 236 HH22 ARG 25 HH22 ARG 25 31.353 -12.761 27.113 Start of MODEL 10 1 H1 PHE 1 H1 PHE 1 44.637 5.643 18.871 2 H2 PHE 1 H2 PHE 1 45.079 7.143 18.206 3 H3 PHE 1 H3 PHE 1 44.261 5.997 17.256 4 HA PHE 1 HA PHE 1 42.248 6.480 18.112 5 HB2 PHE 1 HB3 PHE 1 41.921 7.173 20.456 6 HB3 PHE 1 HB2 PHE 1 42.899 5.707 20.369 7 HD1 PHE 1 HD1 PHE 1 45.413 5.884 20.553 8 HD2 PHE 1 HD2 PHE 1 42.797 9.188 21.382 9 HE1 PHE 1 HE1 PHE 1 47.244 7.027 21.773 10 HE2 PHE 1 HE2 PHE 1 44.628 10.332 22.601 11 HZ PHE 1 HZ PHE 1 46.851 9.251 22.798 12 H ILE 2 HN ILE 2 44.122 8.219 16.689 13 HA ILE 2 HA ILE 2 43.807 10.904 17.790 14 HB ILE 2 HB ILE 2 44.624 10.085 14.987 15 HG12 ILE 2 HG13 ILE 2 46.098 8.970 16.539 16 HG13 ILE 2 HG12 ILE 2 46.962 10.352 15.873 17 HG21 ILE 2 HG21 ILE 2 43.971 12.553 15.621 18 HG22 ILE 2 HG22 ILE 2 45.451 12.260 14.716 19 HG23 ILE 2 HG23 ILE 2 45.525 12.561 16.451 20 HD11 ILE 2 HD11 ILE 2 46.044 11.620 17.973 21 HD12 ILE 2 HD12 ILE 2 47.415 10.530 18.166 22 HD13 ILE 2 HD13 ILE 2 45.798 10.001 18.627 23 H HIS 3 HN HIS 3 43.117 10.762 14.420 24 HA HIS 3 HA HIS 3 40.199 10.836 14.811 25 HB2 HIS 3 HB3 HIS 3 39.994 13.072 13.779 26 HB3 HIS 3 HB2 HIS 3 40.854 13.130 15.313 27 HD1 HIS 3 HD1 HIS 3 41.380 15.432 13.494 28 HD2 HIS 3 HD2 HIS 3 43.623 11.922 13.237 29 HE1 HIS 3 HE1 HIS 3 43.563 16.047 12.372 30 HE2 HIS 3 HE2 HIS 3 44.925 13.919 12.200 31 H HIS 4 HN HIS 4 42.928 10.331 12.867 32 HA HIS 4 HA HIS 4 41.261 10.068 10.390 33 HB2 HIS 4 HB3 HIS 4 43.260 10.295 9.114 34 HB3 HIS 4 HB2 HIS 4 43.347 11.543 10.354 35 HD1 HIS 4 HD1 HIS 4 45.499 11.593 11.621 36 HD2 HIS 4 HD2 HIS 4 44.709 7.818 10.047 37 HE1 HIS 4 HE1 HIS 4 47.513 10.154 12.176 38 HE2 HIS 4 HE2 HIS 4 47.045 7.851 11.220 39 H ILE 5 HN ILE 5 42.778 8.339 12.876 40 HA ILE 5 HA ILE 5 43.168 5.901 11.276 41 HB ILE 5 HB ILE 5 44.089 4.936 13.225 42 HG12 ILE 5 HG13 ILE 5 42.291 5.348 14.823 43 HG13 ILE 5 HG12 ILE 5 43.805 5.935 15.499 44 HG21 ILE 5 HG21 ILE 5 45.445 6.790 12.345 45 HG22 ILE 5 HG22 ILE 5 45.641 6.642 14.090 46 HG23 ILE 5 HG23 ILE 5 44.621 7.915 13.424 47 HD11 ILE 5 HD11 ILE 5 42.128 7.614 15.907 48 HD12 ILE 5 HD12 ILE 5 41.624 7.594 14.227 49 HD13 ILE 5 HD13 ILE 5 43.203 8.237 14.658 50 H ILE 6 HN ILE 6 40.537 7.513 12.342 51 HA ILE 6 HA ILE 6 39.005 5.125 13.223 52 HB ILE 6 HB ILE 6 37.154 7.103 13.243 53 HG12 ILE 6 HG13 ILE 6 39.619 8.683 13.959 54 HG13 ILE 6 HG12 ILE 6 39.102 8.615 12.278 55 HG21 ILE 6 HG21 ILE 6 37.955 7.602 15.618 56 HG22 ILE 6 HG22 ILE 6 39.308 6.521 15.280 57 HG23 ILE 6 HG23 ILE 6 37.655 5.907 15.234 58 HD11 ILE 6 HD11 ILE 6 36.989 9.586 12.787 59 HD12 ILE 6 HD12 ILE 6 38.176 10.550 13.665 60 HD13 ILE 6 HD13 ILE 6 37.215 9.344 14.519 61 H GLY 7 HN GLY 7 38.634 7.737 10.805 62 HA2 GLY 7 HA3 GLY 7 36.562 6.485 9.325 63 HA3 GLY 7 HA2 GLY 7 37.683 7.680 8.661 64 H GLY 8 HN GLY 8 39.534 5.319 9.920 65 HA2 GLY 8 HA3 GLY 8 40.024 4.110 7.252 66 HA3 GLY 8 HA2 GLY 8 41.081 3.972 8.663 67 H LEU 9 HN LEU 9 38.908 3.268 10.473 68 HA LEU 9 HA LEU 9 38.018 0.612 9.441 69 HB2 LEU 9 HB3 LEU 9 38.689 -0.425 11.601 70 HB3 LEU 9 HB2 LEU 9 40.064 0.168 10.676 71 HG LEU 9 HG LEU 9 39.483 2.403 12.171 72 HD11 LEU 9 HD11 LEU 9 37.733 1.312 13.480 73 HD12 LEU 9 HD12 LEU 9 39.128 1.619 14.512 74 HD13 LEU 9 HD13 LEU 9 38.828 -0.005 13.898 75 HD21 LEU 9 HD21 LEU 9 41.714 1.512 11.992 76 HD22 LEU 9 HD22 LEU 9 41.263 0.052 12.871 77 HD23 LEU 9 HD23 LEU 9 41.329 1.600 13.711 78 H PHE 10 HN PHE 10 37.654 3.279 11.690 79 HA PHE 10 HA PHE 10 35.581 2.567 13.337 80 HB2 PHE 10 HB3 PHE 10 36.702 4.819 13.093 81 HB3 PHE 10 HB2 PHE 10 35.629 5.131 11.728 82 HD1 PHE 10 HD1 PHE 10 35.542 4.001 15.300 83 HD2 PHE 10 HD2 PHE 10 33.535 6.101 12.137 84 HE1 PHE 10 HE1 PHE 10 33.756 4.681 16.886 85 HE2 PHE 10 HE2 PHE 10 31.748 6.783 13.721 86 HZ PHE 10 HZ PHE 10 31.860 6.072 16.096 87 H SER 11 HN SER 11 35.418 3.029 9.853 88 HA SER 11 HA SER 11 32.588 3.233 9.577 89 HB2 SER 11 HB3 SER 11 34.349 3.529 7.745 90 HB3 SER 11 HB2 SER 11 34.416 1.769 7.653 91 HG SER 11 HG SER 11 32.773 3.262 6.379 92 H ALA 12 HN ALA 12 34.720 0.371 9.584 93 HA ALA 12 HA ALA 12 32.388 -1.432 9.640 94 HB1 ALA 12 HB1 ALA 12 34.505 -2.076 8.457 95 HB2 ALA 12 HB2 ALA 12 34.023 -3.234 9.696 96 HB3 ALA 12 HB3 ALA 12 35.325 -2.089 10.018 97 H GLY 13 HN GLY 13 34.781 -0.036 11.797 98 HA2 GLY 13 HA3 GLY 13 34.501 -1.643 14.075 99 HA3 GLY 13 HA2 GLY 13 34.730 0.111 14.148 100 H LYS 14 HN LYS 14 32.396 0.948 12.883 101 HA LYS 14 HA LYS 14 30.492 0.980 14.996 102 HB2 LYS 14 HB3 LYS 14 30.257 1.499 12.026 103 HB3 LYS 14 HB2 LYS 14 28.868 1.650 13.103 104 HG2 LYS 14 HG3 LYS 14 29.872 3.401 14.346 105 HG3 LYS 14 HG2 LYS 14 31.477 3.057 13.690 106 HD2 LYS 14 HD3 LYS 14 30.397 5.080 12.675 107 HD3 LYS 14 HD2 LYS 14 30.812 3.835 11.496 108 HE2 LYS 14 HE3 LYS 14 28.555 3.115 11.299 109 HE3 LYS 14 HE2 LYS 14 28.071 3.979 12.758 110 HZ1 LYS 14 HZ1 LYS 14 28.735 5.076 10.101 111 HZ2 LYS 14 HZ2 LYS 14 28.817 6.049 11.491 112 HZ3 LYS 14 HZ3 LYS 14 27.345 5.331 11.038 113 H ALA 15 HN ALA 15 30.564 -0.947 12.007 114 HA ALA 15 HA ALA 15 28.211 -2.479 12.443 115 HB1 ALA 15 HB1 ALA 15 29.482 -2.479 10.316 116 HB2 ALA 15 HB2 ALA 15 29.219 -4.115 10.918 117 HB3 ALA 15 HB3 ALA 15 30.792 -3.343 11.116 118 H ILE 16 HN ILE 16 31.568 -2.964 13.526 119 HA ILE 16 HA ILE 16 30.892 -5.519 14.766 120 HB ILE 16 HB ILE 16 33.302 -3.684 14.841 121 HG12 ILE 16 HG13 ILE 16 34.392 -5.870 14.085 122 HG13 ILE 16 HG12 ILE 16 32.765 -6.519 13.915 123 HG21 ILE 16 HG21 ILE 16 34.370 -5.512 16.298 124 HG22 ILE 16 HG22 ILE 16 32.725 -6.041 16.649 125 HG23 ILE 16 HG23 ILE 16 33.248 -4.422 17.109 126 HD11 ILE 16 HD11 ILE 16 32.197 -4.798 12.295 127 HD12 ILE 16 HD12 ILE 16 33.690 -5.584 11.785 128 HD13 ILE 16 HD13 ILE 16 33.748 -3.999 12.554 129 H HIS 17 HN HIS 17 30.921 -2.152 15.619 130 HA HIS 17 HA HIS 17 30.630 -2.590 18.471 131 HB2 HIS 17 HB3 HIS 17 30.904 -0.330 18.553 132 HB3 HIS 17 HB2 HIS 17 30.994 -0.335 16.803 133 HD1 HIS 17 HD1 HIS 17 28.919 0.480 15.493 134 HD2 HIS 17 HD2 HIS 17 28.321 0.319 19.612 135 HE1 HIS 17 HE1 HIS 17 26.733 1.665 15.934 136 HE2 HIS 17 HE2 HIS 17 26.356 1.591 18.444 137 H ARG 18 HN ARG 18 28.660 -3.165 15.837 138 HA ARG 18 HA ARG 18 26.125 -2.771 17.344 139 HB2 ARG 18 HB3 ARG 18 26.740 -3.506 14.478 140 HB3 ARG 18 HB2 ARG 18 25.116 -3.629 15.163 141 HG2 ARG 18 HG3 ARG 18 25.088 -1.285 15.714 142 HG3 ARG 18 HG2 ARG 18 26.788 -1.111 15.283 143 HD2 ARG 18 HD3 ARG 18 24.887 -0.408 13.564 144 HD3 ARG 18 HD2 ARG 18 26.358 -1.192 12.994 145 HE ARG 18 HE ARG 18 24.429 -3.197 13.634 146 HH11 ARG 18 HH11 ARG 18 23.299 -4.175 11.935 147 HH12 ARG 18 HH12 ARG 18 23.233 -3.390 10.391 148 HH21 ARG 18 HH21 ARG 18 25.130 -0.665 11.401 149 HH22 ARG 18 HH22 ARG 18 24.271 -1.401 10.089 150 H LEU 19 HN LEU 19 28.327 -5.215 16.212 151 HA LEU 19 HA LEU 19 26.675 -7.504 16.633 152 HB2 LEU 19 HB3 LEU 19 28.675 -7.994 15.513 153 HB3 LEU 19 HB2 LEU 19 29.631 -6.949 16.555 154 HG LEU 19 HG LEU 19 29.434 -8.598 18.393 155 HD11 LEU 19 HD11 LEU 19 28.414 -10.773 18.008 156 HD12 LEU 19 HD12 LEU 19 28.083 -10.367 16.324 157 HD13 LEU 19 HD13 LEU 19 27.214 -9.545 17.616 158 HD21 LEU 19 HD21 LEU 19 30.932 -10.234 17.455 159 HD22 LEU 19 HD22 LEU 19 31.268 -8.695 16.662 160 HD23 LEU 19 HD23 LEU 19 30.328 -9.931 15.826 161 H ILE 20 HN ILE 20 28.731 -5.567 18.768 162 HA ILE 20 HA ILE 20 28.301 -7.219 21.113 163 HB ILE 20 HB ILE 20 29.985 -5.851 21.844 164 HG12 ILE 20 HG13 ILE 20 27.972 -3.566 21.766 165 HG13 ILE 20 HG12 ILE 20 28.151 -4.697 23.106 166 HG21 ILE 20 HG21 ILE 20 29.179 -3.961 19.650 167 HG22 ILE 20 HG22 ILE 20 30.351 -5.257 19.494 168 HG23 ILE 20 HG23 ILE 20 30.691 -3.882 20.539 169 HD11 ILE 20 HD11 ILE 20 29.384 -2.661 23.602 170 HD12 ILE 20 HD12 ILE 20 30.232 -2.760 22.059 171 HD13 ILE 20 HD13 ILE 20 30.537 -3.964 23.312 172 H ARG 21 HN ARG 21 26.789 -4.198 19.987 173 HA ARG 21 HA ARG 21 24.920 -3.896 22.057 174 HB2 ARG 21 HB3 ARG 21 24.664 -3.280 19.106 175 HB3 ARG 21 HB2 ARG 21 23.484 -2.766 20.315 176 HG2 ARG 21 HG3 ARG 21 25.187 -1.523 21.520 177 HG3 ARG 21 HG2 ARG 21 26.438 -2.116 20.431 178 HD2 ARG 21 HD3 ARG 21 25.879 0.080 19.681 179 HD3 ARG 21 HD2 ARG 21 25.137 -1.039 18.541 180 HE ARG 21 HE ARG 21 22.998 -0.398 19.350 181 HH11 ARG 21 HH11 ARG 21 21.669 0.992 20.536 182 HH12 ARG 21 HH12 ARG 21 22.359 1.973 21.785 183 HH21 ARG 21 HH21 ARG 21 25.583 0.795 21.301 184 HH22 ARG 21 HH22 ARG 21 24.573 1.863 22.215 185 H ARG 22 HN ARG 22 24.841 -5.934 19.193 186 HA ARG 22 HA ARG 22 22.159 -6.938 19.671 187 HB2 ARG 22 HB3 ARG 22 24.476 -7.934 17.996 188 HB3 ARG 22 HB2 ARG 22 22.930 -8.781 18.082 189 HG2 ARG 22 HG3 ARG 22 21.748 -6.886 17.194 190 HG3 ARG 22 HG2 ARG 22 23.174 -5.857 17.340 191 HD2 ARG 22 HD3 ARG 22 22.881 -6.581 15.015 192 HD3 ARG 22 HD2 ARG 22 24.353 -7.277 15.693 193 HE ARG 22 HE ARG 22 22.360 -9.180 16.162 194 HH11 ARG 22 HH11 ARG 22 21.991 -10.872 14.713 195 HH12 ARG 22 HH12 ARG 22 22.470 -10.699 13.059 196 HH21 ARG 22 HH21 ARG 22 23.734 -7.499 13.483 197 HH22 ARG 22 HH22 ARG 22 23.458 -8.790 12.361 198 H ARG 23 HN ARG 23 25.251 -7.474 21.018 199 HA ARG 23 HA ARG 23 24.477 -10.115 22.173 200 HB2 ARG 23 HB3 ARG 23 26.769 -9.663 21.062 201 HB3 ARG 23 HB2 ARG 23 27.135 -8.709 22.496 202 HG2 ARG 23 HG3 ARG 23 27.888 -10.719 23.329 203 HG3 ARG 23 HG2 ARG 23 26.185 -10.989 23.686 204 HD2 ARG 23 HD3 ARG 23 25.906 -12.165 21.545 205 HD3 ARG 23 HD2 ARG 23 27.597 -11.859 21.145 206 HE ARG 23 HE ARG 23 27.207 -13.271 23.683 207 HH11 ARG 23 HH11 ARG 23 28.036 -15.373 23.735 208 HH12 ARG 23 HH12 ARG 23 28.492 -16.147 22.255 209 HH21 ARG 23 HH21 ARG 23 27.621 -13.444 20.265 210 HH22 ARG 23 HH22 ARG 23 28.259 -15.053 20.290 211 H ARG 24 HN ARG 24 23.340 -7.453 23.045 212 HA ARG 24 HA ARG 24 24.522 -6.641 25.506 213 HB2 ARG 24 HB3 ARG 24 21.761 -6.448 24.324 214 HB3 ARG 24 HB2 ARG 24 21.974 -6.047 26.027 215 HG2 ARG 24 HG3 ARG 24 23.635 -4.363 25.480 216 HG3 ARG 24 HG2 ARG 24 23.599 -4.824 23.779 217 HD2 ARG 24 HD3 ARG 24 22.228 -2.792 24.239 218 HD3 ARG 24 HD2 ARG 24 21.262 -4.125 23.604 219 HE ARG 24 HE ARG 24 20.162 -4.269 25.697 220 HH11 ARG 24 HH11 ARG 24 19.757 -3.531 27.796 221 HH12 ARG 24 HH12 ARG 24 20.866 -2.429 28.541 222 HH21 ARG 24 HH21 ARG 24 23.006 -2.323 25.816 223 HH22 ARG 24 HH22 ARG 24 22.704 -1.745 27.421 224 H ARG 25 HN ARG 25 25.171 -8.642 26.473 225 HA ARG 25 HA ARG 25 23.458 -10.808 27.098 226 HB2 ARG 25 HB3 ARG 25 25.125 -11.442 28.748 227 HB3 ARG 25 HB2 ARG 25 25.957 -10.804 27.331 228 HG2 ARG 25 HG3 ARG 25 25.942 -8.538 28.517 229 HG3 ARG 25 HG2 ARG 25 25.454 -9.413 29.968 230 HD2 ARG 25 HD3 ARG 25 27.494 -10.931 29.515 231 HD3 ARG 25 HD2 ARG 25 28.025 -9.663 28.410 232 HE ARG 25 HE ARG 25 27.334 -8.660 31.062 233 HH11 ARG 25 HH11 ARG 25 29.063 -7.873 32.284 234 HH12 ARG 25 HH12 ARG 25 30.687 -8.226 31.791 235 HH21 ARG 25 HH21 ARG 25 29.724 -10.065 29.013 236 HH22 ARG 25 HH22 ARG 25 31.059 -9.468 29.941 Start of MODEL 11 1 H1 PHE 1 H1 PHE 1 45.150 5.291 18.644 2 H2 PHE 1 H2 PHE 1 45.139 6.525 17.476 3 H3 PHE 1 H3 PHE 1 44.297 5.077 17.193 4 HA PHE 1 HA PHE 1 42.479 5.935 18.081 5 HB2 PHE 1 HB3 PHE 1 42.581 6.602 20.530 6 HB3 PHE 1 HB2 PHE 1 43.163 4.975 20.177 7 HD1 PHE 1 HD1 PHE 1 44.121 8.383 21.171 8 HD2 PHE 1 HD2 PHE 1 45.558 4.446 20.232 9 HE1 PHE 1 HE1 PHE 1 46.328 8.955 22.147 10 HE2 PHE 1 HE2 PHE 1 47.764 5.017 21.209 11 HZ PHE 1 HZ PHE 1 48.150 7.272 22.166 12 H ILE 2 HN ILE 2 44.307 7.730 16.611 13 HA ILE 2 HA ILE 2 44.127 10.324 17.964 14 HB ILE 2 HB ILE 2 44.889 9.713 15.091 15 HG12 ILE 2 HG13 ILE 2 46.571 9.921 17.606 16 HG13 ILE 2 HG12 ILE 2 46.331 8.477 16.620 17 HG21 ILE 2 HG21 ILE 2 45.776 11.896 15.007 18 HG22 ILE 2 HG22 ILE 2 45.795 12.060 16.763 19 HG23 ILE 2 HG23 ILE 2 44.271 12.134 15.889 20 HD11 ILE 2 HD11 ILE 2 48.435 9.375 15.939 21 HD12 ILE 2 HD12 ILE 2 47.792 11.016 15.867 22 HD13 ILE 2 HD13 ILE 2 47.294 9.820 14.669 23 H HIS 3 HN HIS 3 43.358 10.424 14.602 24 HA HIS 3 HA HIS 3 40.452 10.580 15.060 25 HB2 HIS 3 HB3 HIS 3 40.307 12.881 14.161 26 HB3 HIS 3 HB2 HIS 3 41.199 12.824 15.678 27 HD1 HIS 3 HD1 HIS 3 41.761 15.208 13.975 28 HD2 HIS 3 HD2 HIS 3 43.887 11.649 13.487 29 HE1 HIS 3 HE1 HIS 3 43.946 15.814 12.847 30 HE2 HIS 3 HE2 HIS 3 45.233 13.657 12.533 31 H HIS 4 HN HIS 4 43.139 10.101 13.061 32 HA HIS 4 HA HIS 4 41.453 10.024 10.587 33 HB2 HIS 4 HB3 HIS 4 43.462 10.180 9.321 34 HB3 HIS 4 HB2 HIS 4 43.655 11.345 10.627 35 HD1 HIS 4 HD1 HIS 4 45.827 11.161 11.845 36 HD2 HIS 4 HD2 HIS 4 44.709 7.535 10.124 37 HE1 HIS 4 HE1 HIS 4 47.719 9.537 12.308 38 HE2 HIS 4 HE2 HIS 4 47.049 7.324 11.262 39 H ILE 5 HN ILE 5 42.775 8.124 13.031 40 HA ILE 5 HA ILE 5 43.053 5.705 11.377 41 HB ILE 5 HB ILE 5 43.865 4.639 13.323 42 HG12 ILE 5 HG13 ILE 5 42.063 5.162 14.901 43 HG13 ILE 5 HG12 ILE 5 43.607 5.611 15.610 44 HG21 ILE 5 HG21 ILE 5 44.595 7.568 13.608 45 HG22 ILE 5 HG22 ILE 5 45.334 6.439 12.474 46 HG23 ILE 5 HG23 ILE 5 45.532 6.202 14.210 47 HD11 ILE 5 HD11 ILE 5 42.079 7.416 16.035 48 HD12 ILE 5 HD12 ILE 5 41.578 7.461 14.353 49 HD13 ILE 5 HD13 ILE 5 43.201 7.973 14.796 50 H ILE 6 HN ILE 6 40.510 7.451 12.519 51 HA ILE 6 HA ILE 6 38.832 5.146 13.313 52 HB ILE 6 HB ILE 6 37.077 7.198 13.278 53 HG12 ILE 6 HG13 ILE 6 39.639 8.646 13.954 54 HG13 ILE 6 HG12 ILE 6 39.025 8.639 12.306 55 HG21 ILE 6 HG21 ILE 6 39.201 6.810 15.406 56 HG22 ILE 6 HG22 ILE 6 37.711 5.878 15.257 57 HG23 ILE 6 HG23 ILE 6 37.640 7.598 15.640 58 HD11 ILE 6 HD11 ILE 6 37.276 9.404 14.640 59 HD12 ILE 6 HD12 ILE 6 37.024 9.740 12.928 60 HD13 ILE 6 HD13 ILE 6 38.291 10.586 13.815 61 H GLY 7 HN GLY 7 38.608 7.756 10.870 62 HA2 GLY 7 HA3 GLY 7 36.569 6.520 9.329 63 HA3 GLY 7 HA2 GLY 7 37.732 7.693 8.694 64 H GLY 8 HN GLY 8 39.525 5.350 10.039 65 HA2 GLY 8 HA3 GLY 8 40.085 4.079 7.417 66 HA3 GLY 8 HA2 GLY 8 41.095 3.962 8.864 67 H LEU 9 HN LEU 9 38.908 3.283 10.646 68 HA LEU 9 HA LEU 9 38.051 0.604 9.624 69 HB2 LEU 9 HB3 LEU 9 38.563 -0.355 11.861 70 HB3 LEU 9 HB2 LEU 9 40.001 0.203 11.016 71 HG LEU 9 HG LEU 9 39.334 2.488 12.387 72 HD11 LEU 9 HD11 LEU 9 38.524 0.148 14.142 73 HD12 LEU 9 HD12 LEU 9 37.482 1.464 13.607 74 HD13 LEU 9 HD13 LEU 9 38.803 1.787 14.725 75 HD21 LEU 9 HD21 LEU 9 41.553 1.375 12.334 76 HD22 LEU 9 HD22 LEU 9 40.972 0.190 13.504 77 HD23 LEU 9 HD23 LEU 9 41.117 1.885 13.967 78 H PHE 10 HN PHE 10 37.534 3.338 11.761 79 HA PHE 10 HA PHE 10 35.352 2.688 13.282 80 HB2 PHE 10 HB3 PHE 10 36.473 4.934 13.042 81 HB3 PHE 10 HB2 PHE 10 35.518 5.185 11.580 82 HD1 PHE 10 HD1 PHE 10 35.265 4.471 15.227 83 HD2 PHE 10 HD2 PHE 10 33.265 5.896 11.706 84 HE1 PHE 10 HE1 PHE 10 33.349 5.220 16.621 85 HE2 PHE 10 HE2 PHE 10 31.349 6.648 13.096 86 HZ PHE 10 HZ PHE 10 31.392 6.309 15.554 87 H SER 11 HN SER 11 35.405 3.069 9.780 88 HA SER 11 HA SER 11 32.595 3.222 9.331 89 HB2 SER 11 HB3 SER 11 34.558 1.761 7.546 90 HB3 SER 11 HB2 SER 11 33.066 2.576 7.069 91 HG SER 11 HG SER 11 35.462 3.730 8.067 92 H ALA 12 HN ALA 12 34.763 0.393 9.548 93 HA ALA 12 HA ALA 12 32.451 -1.442 9.476 94 HB1 ALA 12 HB1 ALA 12 34.702 -2.035 8.465 95 HB2 ALA 12 HB2 ALA 12 34.072 -3.219 9.609 96 HB3 ALA 12 HB3 ALA 12 35.340 -2.100 10.108 97 H GLY 13 HN GLY 13 34.680 0.025 11.751 98 HA2 GLY 13 HA3 GLY 13 34.297 -1.535 14.040 99 HA3 GLY 13 HA2 GLY 13 34.481 0.225 14.088 100 H LYS 14 HN LYS 14 32.216 0.988 12.676 101 HA LYS 14 HA LYS 14 30.179 1.063 14.642 102 HB2 LYS 14 HB3 LYS 14 30.062 1.320 11.629 103 HB3 LYS 14 HB2 LYS 14 28.649 1.567 12.657 104 HG2 LYS 14 HG3 LYS 14 29.607 3.440 13.735 105 HG3 LYS 14 HG2 LYS 14 31.237 3.031 13.190 106 HD2 LYS 14 HD3 LYS 14 30.338 4.915 11.888 107 HD3 LYS 14 HD2 LYS 14 30.571 3.501 10.859 108 HE2 LYS 14 HE3 LYS 14 28.246 3.006 10.831 109 HE3 LYS 14 HE2 LYS 14 27.920 4.093 12.182 110 HZ1 LYS 14 HZ1 LYS 14 28.046 5.926 10.867 111 HZ2 LYS 14 HZ2 LYS 14 27.481 4.813 9.712 112 HZ3 LYS 14 HZ3 LYS 14 29.131 5.220 9.768 113 H ALA 15 HN ALA 15 30.414 -1.035 11.766 114 HA ALA 15 HA ALA 15 28.123 -2.638 12.266 115 HB1 ALA 15 HB1 ALA 15 30.746 -3.328 10.926 116 HB2 ALA 15 HB2 ALA 15 29.264 -2.790 10.136 117 HB3 ALA 15 HB3 ALA 15 29.327 -4.374 10.909 118 H ILE 16 HN ILE 16 31.489 -2.940 13.396 119 HA ILE 16 HA ILE 16 30.885 -5.452 14.761 120 HB ILE 16 HB ILE 16 33.231 -3.524 14.894 121 HG12 ILE 16 HG13 ILE 16 34.376 -5.720 14.063 122 HG13 ILE 16 HG12 ILE 16 32.743 -6.257 13.690 123 HG21 ILE 16 HG21 ILE 16 33.136 -4.409 17.102 124 HG22 ILE 16 HG22 ILE 16 34.311 -5.418 16.259 125 HG23 ILE 16 HG23 ILE 16 32.671 -6.010 16.524 126 HD11 ILE 16 HD11 ILE 16 32.406 -4.382 12.193 127 HD12 ILE 16 HD12 ILE 16 33.922 -5.167 11.761 128 HD13 ILE 16 HD13 ILE 16 33.942 -3.665 12.681 129 H HIS 17 HN HIS 17 30.700 -2.063 15.414 130 HA HIS 17 HA HIS 17 30.459 -2.335 18.293 131 HB2 HIS 17 HB3 HIS 17 30.570 -0.061 18.239 132 HB3 HIS 17 HB2 HIS 17 30.681 -0.167 16.496 133 HD1 HIS 17 HD1 HIS 17 28.588 0.454 15.121 134 HD2 HIS 17 HD2 HIS 17 27.936 0.458 19.235 135 HE1 HIS 17 HE1 HIS 17 26.300 1.470 15.477 136 HE2 HIS 17 HE2 HIS 17 25.901 1.515 17.982 137 H ARG 18 HN ARG 18 28.543 -3.215 15.712 138 HA ARG 18 HA ARG 18 25.978 -2.915 17.191 139 HB2 ARG 18 HB3 ARG 18 26.640 -3.830 14.388 140 HB3 ARG 18 HB2 ARG 18 25.030 -3.983 15.095 141 HG2 ARG 18 HG3 ARG 18 24.872 -1.607 15.438 142 HG3 ARG 18 HG2 ARG 18 26.558 -1.375 14.981 143 HD2 ARG 18 HD3 ARG 18 24.524 -1.005 13.232 144 HD3 ARG 18 HD2 ARG 18 26.112 -1.568 12.720 145 HE ARG 18 HE ARG 18 24.580 -3.846 13.438 146 HH11 ARG 18 HH11 ARG 18 23.597 -5.063 11.809 147 HH12 ARG 18 HH12 ARG 18 23.309 -4.342 10.261 148 HH21 ARG 18 HH21 ARG 18 24.677 -1.278 11.137 149 HH22 ARG 18 HH22 ARG 18 23.920 -2.200 9.880 150 H LEU 19 HN LEU 19 28.366 -5.256 16.204 151 HA LEU 19 HA LEU 19 26.897 -7.633 16.787 152 HB2 LEU 19 HB3 LEU 19 28.925 -8.070 15.707 153 HB3 LEU 19 HB2 LEU 19 29.792 -6.851 16.625 154 HG LEU 19 HG LEU 19 29.766 -8.337 18.616 155 HD11 LEU 19 HD11 LEU 19 28.923 -10.587 18.492 156 HD12 LEU 19 HD12 LEU 19 28.643 -10.455 16.757 157 HD13 LEU 19 HD13 LEU 19 27.631 -9.557 17.884 158 HD21 LEU 19 HD21 LEU 19 31.695 -8.480 17.199 159 HD22 LEU 19 HD22 LEU 19 30.836 -9.475 16.025 160 HD23 LEU 19 HD23 LEU 19 31.244 -10.134 17.609 161 H ILE 20 HN ILE 20 28.778 -5.399 18.786 162 HA ILE 20 HA ILE 20 28.480 -6.923 21.233 163 HB ILE 20 HB ILE 20 30.044 -5.381 21.873 164 HG12 ILE 20 HG13 ILE 20 27.877 -3.259 21.614 165 HG13 ILE 20 HG12 ILE 20 28.109 -4.275 23.034 166 HG21 ILE 20 HG21 ILE 20 30.587 -3.453 20.419 167 HG22 ILE 20 HG22 ILE 20 29.106 -3.756 19.528 168 HG23 ILE 20 HG23 ILE 20 30.396 -4.942 19.497 169 HD11 ILE 20 HD11 ILE 20 29.950 -2.165 21.907 170 HD12 ILE 20 HD12 ILE 20 30.518 -3.378 23.054 171 HD13 ILE 20 HD13 ILE 20 29.246 -2.249 23.522 172 H ARG 21 HN ARG 21 26.742 -4.109 19.915 173 HA ARG 21 HA ARG 21 24.845 -3.845 21.971 174 HB2 ARG 21 HB3 ARG 21 24.545 -3.396 18.993 175 HB3 ARG 21 HB2 ARG 21 23.345 -2.892 20.186 176 HG2 ARG 21 HG3 ARG 21 24.979 -1.480 21.302 177 HG3 ARG 21 HG2 ARG 21 26.255 -2.055 20.233 178 HD2 ARG 21 HD3 ARG 21 25.442 0.132 19.489 179 HD3 ARG 21 HD2 ARG 21 25.048 -1.106 18.297 180 HE ARG 21 HE ARG 21 22.774 -1.074 19.784 181 HH11 ARG 21 HH11 ARG 21 21.054 0.368 19.531 182 HH12 ARG 21 HH12 ARG 21 21.347 1.938 18.864 183 HH21 ARG 21 HH21 ARG 21 24.751 1.423 18.458 184 HH22 ARG 21 HH22 ARG 21 23.439 2.535 18.257 185 H ARG 22 HN ARG 22 24.894 -5.989 19.177 186 HA ARG 22 HA ARG 22 22.309 -7.178 19.728 187 HB2 ARG 22 HB3 ARG 22 24.702 -8.056 18.095 188 HB3 ARG 22 HB2 ARG 22 23.264 -9.065 18.264 189 HG2 ARG 22 HG3 ARG 22 21.871 -7.221 17.392 190 HG3 ARG 22 HG2 ARG 22 23.315 -6.225 17.202 191 HD2 ARG 22 HD3 ARG 22 22.582 -7.380 15.089 192 HD3 ARG 22 HD2 ARG 22 24.236 -7.749 15.574 193 HE ARG 22 HE ARG 22 22.460 -9.702 16.691 194 HH11 ARG 22 HH11 ARG 22 22.381 -11.737 15.715 195 HH12 ARG 22 HH12 ARG 22 22.960 -11.930 14.094 196 HH21 ARG 22 HH21 ARG 22 23.841 -8.595 13.732 197 HH22 ARG 22 HH22 ARG 22 23.789 -10.151 12.972 198 H ARG 23 HN ARG 23 25.417 -7.377 21.114 199 HA ARG 23 HA ARG 23 24.836 -9.991 22.441 200 HB2 ARG 23 HB3 ARG 23 27.091 -9.440 21.272 201 HB3 ARG 23 HB2 ARG 23 27.404 -8.417 22.671 202 HG2 ARG 23 HG3 ARG 23 28.306 -10.386 23.492 203 HG3 ARG 23 HG2 ARG 23 26.636 -10.644 23.993 204 HD2 ARG 23 HD3 ARG 23 26.355 -11.739 21.634 205 HD3 ARG 23 HD2 ARG 23 28.116 -11.840 21.656 206 HE ARG 23 HE ARG 23 26.986 -12.884 24.104 207 HH11 ARG 23 HH11 ARG 23 27.053 -15.128 24.373 208 HH12 ARG 23 HH12 ARG 23 27.331 -16.144 22.997 209 HH21 ARG 23 HH21 ARG 23 27.572 -13.502 20.763 210 HH22 ARG 23 HH22 ARG 23 27.627 -15.223 20.953 211 H ARG 24 HN ARG 24 23.450 -7.466 23.196 212 HA ARG 24 HA ARG 24 24.589 -6.290 25.522 213 HB2 ARG 24 HB3 ARG 24 21.799 -6.610 24.453 214 HB3 ARG 24 HB2 ARG 24 21.978 -6.081 26.124 215 HG2 ARG 24 HG3 ARG 24 23.314 -4.176 25.441 216 HG3 ARG 24 HG2 ARG 24 23.340 -4.740 23.772 217 HD2 ARG 24 HD3 ARG 24 21.643 -3.030 23.925 218 HD3 ARG 24 HD2 ARG 24 20.819 -4.582 23.768 219 HE ARG 24 HE ARG 24 21.247 -3.713 26.539 220 HH11 ARG 24 HH11 ARG 24 19.358 -3.315 27.710 221 HH12 ARG 24 HH12 ARG 24 17.845 -3.195 26.875 222 HH21 ARG 24 HH21 ARG 24 19.228 -3.729 23.740 223 HH22 ARG 24 HH22 ARG 24 17.772 -3.424 24.629 224 H ARG 25 HN ARG 25 25.582 -8.193 26.539 225 HA ARG 25 HA ARG 25 24.103 -10.426 27.506 226 HB2 ARG 25 HB3 ARG 25 26.611 -9.149 28.641 227 HB3 ARG 25 HB2 ARG 25 26.007 -10.753 29.060 228 HG2 ARG 25 HG3 ARG 25 26.085 -11.223 26.505 229 HG3 ARG 25 HG2 ARG 25 27.116 -9.794 26.420 230 HD2 ARG 25 HD3 ARG 25 27.633 -12.223 28.163 231 HD3 ARG 25 HD2 ARG 25 28.455 -11.866 26.643 232 HE ARG 25 HE ARG 25 28.646 -9.714 28.619 233 HH11 ARG 25 HH11 ARG 25 30.733 -9.323 29.402 234 HH12 ARG 25 HH12 ARG 25 31.984 -10.485 29.111 235 HH21 ARG 25 HH21 ARG 25 29.922 -12.662 27.370 236 HH22 ARG 25 HH22 ARG 25 31.524 -12.377 27.963 Start of MODEL 12 1 H1 PHE 1 H1 PHE 1 46.227 6.461 17.576 2 H2 PHE 1 H2 PHE 1 46.548 8.051 18.081 3 H3 PHE 1 H3 PHE 1 46.585 7.658 16.429 4 HA PHE 1 HA PHE 1 44.208 7.155 16.487 5 HB2 PHE 1 HB3 PHE 1 44.544 8.099 19.347 6 HB3 PHE 1 HB2 PHE 1 42.980 7.957 18.544 7 HD1 PHE 1 HD1 PHE 1 41.906 5.847 18.310 8 HD2 PHE 1 HD2 PHE 1 46.013 6.040 19.555 9 HE1 PHE 1 HE1 PHE 1 41.861 3.422 18.831 10 HE2 PHE 1 HE2 PHE 1 45.969 3.617 20.076 11 HZ PHE 1 HZ PHE 1 43.893 2.307 19.715 12 H ILE 2 HN ILE 2 45.080 8.873 14.944 13 HA ILE 2 HA ILE 2 44.978 11.645 15.889 14 HB ILE 2 HB ILE 2 45.161 10.585 13.053 15 HG12 ILE 2 HG13 ILE 2 47.297 11.304 15.080 16 HG13 ILE 2 HG12 ILE 2 46.997 9.714 14.379 17 HG21 ILE 2 HG21 ILE 2 45.757 12.756 12.398 18 HG22 ILE 2 HG22 ILE 2 46.218 13.234 14.031 19 HG23 ILE 2 HG23 ILE 2 44.519 13.091 13.603 20 HD11 ILE 2 HD11 ILE 2 47.417 10.808 12.099 21 HD12 ILE 2 HD12 ILE 2 48.826 10.606 13.142 22 HD13 ILE 2 HD13 ILE 2 48.054 12.185 12.998 23 H HIS 3 HN HIS 3 43.466 11.007 12.813 24 HA HIS 3 HA HIS 3 40.750 11.160 13.896 25 HB2 HIS 3 HB3 HIS 3 40.220 13.297 12.791 26 HB3 HIS 3 HB2 HIS 3 41.462 13.499 14.021 27 HD1 HIS 3 HD1 HIS 3 41.330 15.594 11.846 28 HD2 HIS 3 HD2 HIS 3 43.684 12.165 11.483 29 HE1 HIS 3 HE1 HIS 3 43.124 16.122 10.141 30 HE2 HIS 3 HE2 HIS 3 44.543 14.039 9.898 31 H HIS 4 HN HIS 4 42.944 10.609 11.330 32 HA HIS 4 HA HIS 4 40.718 10.072 9.404 33 HB2 HIS 4 HB3 HIS 4 42.352 10.192 7.657 34 HB3 HIS 4 HB2 HIS 4 42.637 11.577 8.708 35 HD1 HIS 4 HD1 HIS 4 45.017 11.863 9.402 36 HD2 HIS 4 HD2 HIS 4 44.134 7.894 8.498 37 HE1 HIS 4 HE1 HIS 4 47.189 10.576 9.640 38 HE2 HIS 4 HE2 HIS 4 46.663 8.155 9.093 39 H ILE 5 HN ILE 5 42.955 8.579 11.504 40 HA ILE 5 HA ILE 5 43.013 6.036 10.044 41 HB ILE 5 HB ILE 5 44.404 5.230 11.782 42 HG12 ILE 5 HG13 ILE 5 43.026 5.780 13.738 43 HG13 ILE 5 HG12 ILE 5 44.657 6.388 13.972 44 HG21 ILE 5 HG21 ILE 5 44.875 8.219 11.559 45 HG22 ILE 5 HG22 ILE 5 45.479 6.982 10.457 46 HG23 ILE 5 HG23 ILE 5 46.061 7.041 12.119 47 HD11 ILE 5 HD11 ILE 5 42.234 7.993 13.153 48 HD12 ILE 5 HD12 ILE 5 43.868 8.636 13.153 49 HD13 ILE 5 HD13 ILE 5 43.121 8.114 14.659 50 H ILE 6 HN ILE 6 40.733 7.668 11.856 51 HA ILE 6 HA ILE 6 39.580 5.279 13.146 52 HB ILE 6 HB ILE 6 37.683 7.138 13.560 53 HG12 ILE 6 HG13 ILE 6 40.136 8.881 13.313 54 HG13 ILE 6 HG12 ILE 6 39.021 8.695 11.969 55 HG21 ILE 6 HG21 ILE 6 38.874 6.166 15.394 56 HG22 ILE 6 HG22 ILE 6 39.048 7.913 15.558 57 HG23 ILE 6 HG23 ILE 6 40.380 6.952 14.918 58 HD11 ILE 6 HD11 ILE 6 37.163 9.434 13.425 59 HD12 ILE 6 HD12 ILE 6 38.424 10.661 13.298 60 HD13 ILE 6 HD13 ILE 6 38.309 9.660 14.746 61 H GLY 7 HN GLY 7 38.481 7.670 10.719 62 HA2 GLY 7 HA3 GLY 7 36.192 6.196 9.898 63 HA3 GLY 7 HA2 GLY 7 37.020 7.403 8.907 64 H GLY 8 HN GLY 8 39.284 5.235 9.816 65 HA2 GLY 8 HA3 GLY 8 39.167 3.843 7.185 66 HA3 GLY 8 HA2 GLY 8 40.571 3.902 8.262 67 H LEU 9 HN LEU 9 39.154 3.242 10.650 68 HA LEU 9 HA LEU 9 38.370 0.390 10.151 69 HB2 LEU 9 HB3 LEU 9 40.500 0.303 11.221 70 HB3 LEU 9 HB2 LEU 9 40.123 1.667 12.268 71 HG LEU 9 HG LEU 9 38.513 0.322 13.508 72 HD11 LEU 9 HD11 LEU 9 38.420 -2.171 12.962 73 HD12 LEU 9 HD12 LEU 9 39.206 -1.776 11.434 74 HD13 LEU 9 HD13 LEU 9 37.615 -1.117 11.803 75 HD21 LEU 9 HD21 LEU 9 40.779 0.177 14.313 76 HD22 LEU 9 HD22 LEU 9 41.201 -1.000 13.069 77 HD23 LEU 9 HD23 LEU 9 40.100 -1.450 14.372 78 H PHE 10 HN PHE 10 38.121 3.215 12.291 79 HA PHE 10 HA PHE 10 36.072 2.515 14.003 80 HB2 PHE 10 HB3 PHE 10 37.351 4.778 13.622 81 HB3 PHE 10 HB2 PHE 10 35.992 5.176 12.571 82 HD1 PHE 10 HD1 PHE 10 37.095 4.645 16.019 83 HD2 PHE 10 HD2 PHE 10 33.692 5.301 13.485 84 HE1 PHE 10 HE1 PHE 10 35.728 5.227 18.008 85 HE2 PHE 10 HE2 PHE 10 32.322 5.885 15.472 86 HZ PHE 10 HZ PHE 10 33.342 5.847 17.733 87 H SER 11 HN SER 11 35.853 3.208 10.563 88 HA SER 11 HA SER 11 33.032 3.523 10.345 89 HB2 SER 11 HB3 SER 11 33.376 2.689 7.986 90 HB3 SER 11 HB2 SER 11 34.446 4.014 8.444 91 HG SER 11 HG SER 11 35.996 2.339 8.998 92 H ALA 12 HN ALA 12 35.070 0.601 10.175 93 HA ALA 12 HA ALA 12 32.692 -1.130 10.084 94 HB1 ALA 12 HB1 ALA 12 35.624 -1.833 10.419 95 HB2 ALA 12 HB2 ALA 12 34.746 -1.814 8.888 96 HB3 ALA 12 HB3 ALA 12 34.316 -2.982 10.137 97 H GLY 13 HN GLY 13 35.113 -0.021 12.395 98 HA2 GLY 13 HA3 GLY 13 34.656 -1.764 14.541 99 HA3 GLY 13 HA2 GLY 13 35.006 -0.041 14.750 100 H LYS 14 HN LYS 14 32.784 1.057 13.498 101 HA LYS 14 HA LYS 14 30.809 1.083 15.542 102 HB2 LYS 14 HB3 LYS 14 30.713 1.795 12.603 103 HB3 LYS 14 HB2 LYS 14 29.313 1.998 13.659 104 HG2 LYS 14 HG3 LYS 14 30.419 3.590 15.020 105 HG3 LYS 14 HG2 LYS 14 32.010 3.144 14.394 106 HD2 LYS 14 HD3 LYS 14 31.155 5.303 13.461 107 HD3 LYS 14 HD2 LYS 14 31.479 4.091 12.223 108 HE2 LYS 14 HE3 LYS 14 28.726 4.368 13.427 109 HE3 LYS 14 HE2 LYS 14 29.239 5.397 12.089 110 HZ1 LYS 14 HZ1 LYS 14 28.529 3.703 10.836 111 HZ2 LYS 14 HZ2 LYS 14 28.597 2.580 12.109 112 HZ3 LYS 14 HZ3 LYS 14 30.005 2.973 11.243 113 H ALA 15 HN ALA 15 30.815 -0.621 12.413 114 HA ALA 15 HA ALA 15 28.368 -2.030 12.728 115 HB1 ALA 15 HB1 ALA 15 30.910 -2.836 11.293 116 HB2 ALA 15 HB2 ALA 15 29.523 -2.003 10.588 117 HB3 ALA 15 HB3 ALA 15 29.367 -3.674 11.131 118 H ILE 16 HN ILE 16 31.683 -2.808 13.772 119 HA ILE 16 HA ILE 16 30.840 -5.401 14.810 120 HB ILE 16 HB ILE 16 33.362 -3.736 15.122 121 HG12 ILE 16 HG13 ILE 16 34.289 -5.944 14.081 122 HG13 ILE 16 HG12 ILE 16 32.609 -6.287 13.679 123 HG21 ILE 16 HG21 ILE 16 32.592 -6.307 16.522 124 HG22 ILE 16 HG22 ILE 16 33.190 -4.813 17.244 125 HG23 ILE 16 HG23 ILE 16 34.275 -5.828 16.294 126 HD11 ILE 16 HD11 ILE 16 33.855 -5.142 11.838 127 HD12 ILE 16 HD12 ILE 16 34.071 -3.750 12.896 128 HD13 ILE 16 HD13 ILE 16 32.451 -4.231 12.389 129 H HIS 17 HN HIS 17 31.018 -2.114 15.901 130 HA HIS 17 HA HIS 17 30.720 -2.748 18.720 131 HB2 HIS 17 HB3 HIS 17 31.086 -0.517 18.985 132 HB3 HIS 17 HB2 HIS 17 31.200 -0.388 17.244 133 HD1 HIS 17 HD1 HIS 17 29.176 0.612 15.980 134 HD2 HIS 17 HD2 HIS 17 28.542 0.177 20.072 135 HE1 HIS 17 HE1 HIS 17 27.023 1.833 16.494 136 HE2 HIS 17 HE2 HIS 17 26.630 1.600 18.993 137 H ARG 18 HN ARG 18 28.741 -3.001 16.038 138 HA ARG 18 HA ARG 18 26.215 -2.631 17.560 139 HB2 ARG 18 HB3 ARG 18 26.816 -3.160 14.646 140 HB3 ARG 18 HB2 ARG 18 25.183 -3.245 15.316 141 HG2 ARG 18 HG3 ARG 18 25.310 -0.949 16.076 142 HG3 ARG 18 HG2 ARG 18 27.002 -0.843 15.602 143 HD2 ARG 18 HD3 ARG 18 25.147 0.127 14.005 144 HD3 ARG 18 HD2 ARG 18 26.497 -0.774 13.319 145 HE ARG 18 HE ARG 18 24.565 -2.706 13.806 146 HH11 ARG 18 HH11 ARG 18 23.044 -3.300 12.239 147 HH12 ARG 18 HH12 ARG 18 22.624 -2.175 10.991 148 HH21 ARG 18 HH21 ARG 18 24.756 0.307 12.142 149 HH22 ARG 18 HH22 ARG 18 23.593 -0.134 10.935 150 H LEU 19 HN LEU 19 28.349 -5.052 16.307 151 HA LEU 19 HA LEU 19 26.583 -7.299 16.510 152 HB2 LEU 19 HB3 LEU 19 28.548 -7.806 15.348 153 HB3 LEU 19 HB2 LEU 19 29.551 -6.850 16.428 154 HG LEU 19 HG LEU 19 29.331 -8.602 18.175 155 HD11 LEU 19 HD11 LEU 19 27.076 -9.438 17.299 156 HD12 LEU 19 HD12 LEU 19 28.234 -10.698 17.713 157 HD13 LEU 19 HD13 LEU 19 27.975 -10.260 16.026 158 HD21 LEU 19 HD21 LEU 19 31.204 -8.680 16.581 159 HD22 LEU 19 HD22 LEU 19 30.222 -9.629 15.465 160 HD23 LEU 19 HD23 LEU 19 30.692 -10.309 17.023 161 H ILE 20 HN ILE 20 28.694 -5.615 18.790 162 HA ILE 20 HA ILE 20 28.212 -7.435 20.994 163 HB ILE 20 HB ILE 20 29.946 -6.197 21.830 164 HG12 ILE 20 HG13 ILE 20 28.042 -3.820 21.906 165 HG13 ILE 20 HG12 ILE 20 28.159 -5.046 23.168 166 HG21 ILE 20 HG21 ILE 20 30.710 -4.146 20.655 167 HG22 ILE 20 HG22 ILE 20 29.213 -4.172 19.738 168 HG23 ILE 20 HG23 ILE 20 30.371 -5.475 19.549 169 HD11 ILE 20 HD11 ILE 20 30.601 -4.445 23.385 170 HD12 ILE 20 HD12 ILE 20 29.492 -3.149 23.836 171 HD13 ILE 20 HD13 ILE 20 30.307 -3.108 22.272 172 H ARG 21 HN ARG 21 26.832 -4.268 20.122 173 HA ARG 21 HA ARG 21 24.974 -4.070 22.214 174 HB2 ARG 21 HB3 ARG 21 24.735 -3.187 19.328 175 HB3 ARG 21 HB2 ARG 21 23.597 -2.718 20.593 176 HG2 ARG 21 HG3 ARG 21 25.360 -1.648 21.865 177 HG3 ARG 21 HG2 ARG 21 26.582 -2.239 20.740 178 HD2 ARG 21 HD3 ARG 21 25.923 0.153 20.362 179 HD3 ARG 21 HD2 ARG 21 25.692 -0.883 18.957 180 HE ARG 21 HE ARG 21 23.264 -0.847 20.449 181 HH11 ARG 21 HH11 ARG 21 21.570 0.462 19.730 182 HH12 ARG 21 HH12 ARG 21 21.906 1.781 18.660 183 HH21 ARG 21 HH21 ARG 21 25.318 1.175 18.556 184 HH22 ARG 21 HH22 ARG 21 24.027 2.190 18.001 185 H ARG 22 HN ARG 22 24.767 -5.768 19.135 186 HA ARG 22 HA ARG 22 22.064 -6.739 19.594 187 HB2 ARG 22 HB3 ARG 22 24.268 -7.444 17.653 188 HB3 ARG 22 HB2 ARG 22 22.794 -8.410 17.735 189 HG2 ARG 22 HG3 ARG 22 21.423 -6.570 17.119 190 HG3 ARG 22 HG2 ARG 22 22.710 -5.404 17.429 191 HD2 ARG 22 HD3 ARG 22 22.195 -6.085 14.959 192 HD3 ARG 22 HD2 ARG 22 23.876 -5.975 15.480 193 HE ARG 22 HE ARG 22 22.811 -8.647 15.854 194 HH11 ARG 22 HH11 ARG 22 23.612 -10.238 14.461 195 HH12 ARG 22 HH12 ARG 22 24.436 -9.767 13.012 196 HH21 ARG 22 HH21 ARG 22 24.089 -6.370 13.602 197 HH22 ARG 22 HH22 ARG 22 24.707 -7.579 12.527 198 H ARG 23 HN ARG 23 25.188 -7.598 20.716 199 HA ARG 23 HA ARG 23 24.312 -10.348 21.480 200 HB2 ARG 23 HB3 ARG 23 26.611 -9.810 20.392 201 HB3 ARG 23 HB2 ARG 23 27.045 -9.168 21.973 202 HG2 ARG 23 HG3 ARG 23 27.690 -11.340 22.381 203 HG3 ARG 23 HG2 ARG 23 25.983 -11.558 22.750 204 HD2 ARG 23 HD3 ARG 23 25.689 -12.090 20.248 205 HD3 ARG 23 HD2 ARG 23 27.445 -12.237 20.196 206 HE ARG 23 HE ARG 23 26.783 -13.862 22.304 207 HH11 ARG 23 HH11 ARG 23 26.195 -16.035 22.106 208 HH12 ARG 23 HH12 ARG 23 25.502 -16.599 20.622 209 HH21 ARG 23 HH21 ARG 23 25.636 -13.499 19.072 210 HH22 ARG 23 HH22 ARG 23 25.182 -15.162 18.905 211 H ARG 24 HN ARG 24 23.408 -7.733 22.798 212 HA ARG 24 HA ARG 24 24.681 -7.478 25.334 213 HB2 ARG 24 HB3 ARG 24 21.877 -6.908 24.360 214 HB3 ARG 24 HB2 ARG 24 22.305 -6.683 26.056 215 HG2 ARG 24 HG3 ARG 24 23.943 -5.038 25.536 216 HG3 ARG 24 HG2 ARG 24 23.936 -5.460 23.825 217 HD2 ARG 24 HD3 ARG 24 22.688 -3.365 24.240 218 HD3 ARG 24 HD2 ARG 24 21.629 -4.629 23.615 219 HE ARG 24 HE ARG 24 21.447 -4.857 26.388 220 HH11 ARG 24 HH11 ARG 24 19.837 -3.785 27.557 221 HH12 ARG 24 HH12 ARG 24 19.112 -2.357 26.898 222 HH21 ARG 24 HH21 ARG 24 21.014 -2.410 23.999 223 HH22 ARG 24 HH22 ARG 24 19.778 -1.579 24.883 224 H ARG 25 HN ARG 25 25.150 -9.686 25.893 225 HA ARG 25 HA ARG 25 23.241 -11.754 26.157 226 HB2 ARG 25 HB3 ARG 25 24.865 -12.881 27.545 227 HB3 ARG 25 HB2 ARG 25 25.743 -12.015 26.285 228 HG2 ARG 25 HG3 ARG 25 25.979 -10.096 27.950 229 HG3 ARG 25 HG2 ARG 25 25.394 -11.214 29.181 230 HD2 ARG 25 HD3 ARG 25 27.707 -11.490 29.359 231 HD3 ARG 25 HD2 ARG 25 27.284 -12.795 28.252 232 HE ARG 25 HE ARG 25 27.828 -10.728 26.534 233 HH11 ARG 25 HH11 ARG 25 29.898 -10.190 25.794 234 HH12 ARG 25 HH12 ARG 25 31.281 -10.613 26.747 235 HH21 ARG 25 HH21 ARG 25 29.418 -12.093 29.270 236 HH22 ARG 25 HH22 ARG 25 31.009 -11.689 28.717 Start of MODEL 13 1 H1 PHE 1 H1 PHE 1 43.819 6.517 18.240 2 H2 PHE 1 H2 PHE 1 43.102 5.026 17.852 3 H3 PHE 1 H3 PHE 1 42.664 5.836 19.280 4 HA PHE 1 HA PHE 1 41.853 6.348 16.522 5 HB2 PHE 1 HB3 PHE 1 40.421 6.878 19.130 6 HB3 PHE 1 HB2 PHE 1 39.714 6.652 17.531 7 HD1 PHE 1 HD1 PHE 1 40.769 5.022 20.560 8 HD2 PHE 1 HD2 PHE 1 40.036 4.380 16.375 9 HE1 PHE 1 HE1 PHE 1 40.610 2.580 20.963 10 HE2 PHE 1 HE2 PHE 1 39.877 1.938 16.779 11 HZ PHE 1 HZ PHE 1 40.164 1.038 19.072 12 H ILE 2 HN ILE 2 43.062 8.179 15.870 13 HA ILE 2 HA ILE 2 43.113 10.547 17.641 14 HB ILE 2 HB ILE 2 44.248 10.156 14.858 15 HG12 ILE 2 HG13 ILE 2 45.696 10.210 17.519 16 HG13 ILE 2 HG12 ILE 2 45.201 8.713 16.728 17 HG21 ILE 2 HG21 ILE 2 45.565 12.192 15.438 18 HG22 ILE 2 HG22 ILE 2 44.648 12.332 16.938 19 HG23 ILE 2 HG23 ILE 2 43.836 12.521 15.388 20 HD11 ILE 2 HD11 ILE 2 46.485 9.430 14.697 21 HD12 ILE 2 HD12 ILE 2 47.505 9.185 16.114 22 HD13 ILE 2 HD13 ILE 2 47.074 10.819 15.609 23 H HIS 3 HN HIS 3 42.625 10.582 14.125 24 HA HIS 3 HA HIS 3 39.878 11.562 14.437 25 HB2 HIS 3 HB3 HIS 3 40.340 13.759 13.409 26 HB3 HIS 3 HB2 HIS 3 41.159 13.574 14.958 27 HD1 HIS 3 HD1 HIS 3 42.347 15.621 13.131 28 HD2 HIS 3 HD2 HIS 3 43.504 11.614 12.953 29 HE1 HIS 3 HE1 HIS 3 44.634 15.573 12.047 30 HE2 HIS 3 HE2 HIS 3 45.330 13.142 11.910 31 H HIS 4 HN HIS 4 42.402 10.311 12.524 32 HA HIS 4 HA HIS 4 40.577 10.213 10.151 33 HB2 HIS 4 HB3 HIS 4 42.497 10.449 8.667 34 HB3 HIS 4 HB2 HIS 4 42.413 11.837 9.748 35 HD1 HIS 4 HD1 HIS 4 44.592 12.402 10.813 36 HD2 HIS 4 HD2 HIS 4 44.310 8.352 9.903 37 HE1 HIS 4 HE1 HIS 4 46.809 11.368 11.480 38 HE2 HIS 4 HE2 HIS 4 46.657 8.898 10.912 39 H ILE 5 HN ILE 5 42.931 8.617 12.192 40 HA ILE 5 HA ILE 5 43.063 6.205 10.576 41 HB ILE 5 HB ILE 5 43.963 5.163 12.641 42 HG12 ILE 5 HG13 ILE 5 43.092 7.799 13.858 43 HG13 ILE 5 HG12 ILE 5 42.553 6.182 14.306 44 HG21 ILE 5 HG21 ILE 5 45.359 6.708 11.146 45 HG22 ILE 5 HG22 ILE 5 45.965 6.456 12.781 46 HG23 ILE 5 HG23 ILE 5 45.117 7.947 12.379 47 HD11 ILE 5 HD11 ILE 5 45.020 5.697 14.848 48 HD12 ILE 5 HD12 ILE 5 44.155 6.761 15.957 49 HD13 ILE 5 HD13 ILE 5 45.256 7.441 14.758 50 H ILE 6 HN ILE 6 40.676 7.727 12.368 51 HA ILE 6 HA ILE 6 39.316 5.356 13.372 52 HB ILE 6 HB ILE 6 37.395 7.213 13.546 53 HG12 ILE 6 HG13 ILE 6 39.901 8.914 13.469 54 HG13 ILE 6 HG12 ILE 6 38.801 8.788 12.101 55 HG21 ILE 6 HG21 ILE 6 39.925 7.260 15.214 56 HG22 ILE 6 HG22 ILE 6 38.542 6.193 15.465 57 HG23 ILE 6 HG23 ILE 6 38.367 7.932 15.697 58 HD11 ILE 6 HD11 ILE 6 38.251 9.925 14.838 59 HD12 ILE 6 HD12 ILE 6 36.939 9.445 13.762 60 HD13 ILE 6 HD13 ILE 6 38.061 10.707 13.269 61 H GLY 7 HN GLY 7 38.523 7.720 10.805 62 HA2 GLY 7 HA3 GLY 7 36.333 6.265 9.740 63 HA3 GLY 7 HA2 GLY 7 37.296 7.435 8.830 64 H GLY 8 HN GLY 8 39.414 5.274 10.024 65 HA2 GLY 8 HA3 GLY 8 39.577 3.821 7.433 66 HA3 GLY 8 HA2 GLY 8 40.842 3.882 8.668 67 H LEU 9 HN LEU 9 39.105 3.276 10.878 68 HA LEU 9 HA LEU 9 38.358 0.427 10.316 69 HB2 LEU 9 HB3 LEU 9 40.366 0.310 11.594 70 HB3 LEU 9 HB2 LEU 9 39.915 1.692 12.585 71 HG LEU 9 HG LEU 9 38.158 0.380 13.668 72 HD11 LEU 9 HD11 LEU 9 38.133 -2.129 13.161 73 HD12 LEU 9 HD12 LEU 9 39.067 -1.751 11.713 74 HD13 LEU 9 HD13 LEU 9 37.443 -1.096 11.911 75 HD21 LEU 9 HD21 LEU 9 40.681 -1.285 13.609 76 HD22 LEU 9 HD22 LEU 9 39.571 -1.048 14.959 77 HD23 LEU 9 HD23 LEU 9 40.595 0.280 14.417 78 H PHE 10 HN PHE 10 37.922 3.280 12.371 79 HA PHE 10 HA PHE 10 35.760 2.642 13.936 80 HB2 PHE 10 HB3 PHE 10 37.041 4.879 13.570 81 HB3 PHE 10 HB2 PHE 10 35.796 5.227 12.373 82 HD1 PHE 10 HD1 PHE 10 33.787 6.214 13.085 83 HD2 PHE 10 HD2 PHE 10 36.191 4.053 15.911 84 HE1 PHE 10 HE1 PHE 10 32.256 6.902 14.914 85 HE2 PHE 10 HE2 PHE 10 34.661 4.739 17.741 86 HZ PHE 10 HZ PHE 10 32.692 6.165 17.241 87 H SER 11 HN SER 11 35.749 3.021 10.448 88 HA SER 11 HA SER 11 32.938 3.401 10.087 89 HB2 SER 11 HB3 SER 11 35.060 2.176 8.312 90 HB3 SER 11 HB2 SER 11 33.386 2.378 7.793 91 HG SER 11 HG SER 11 34.777 4.155 7.240 92 H ALA 12 HN ALA 12 34.819 0.368 9.726 93 HA ALA 12 HA ALA 12 32.354 -1.210 9.860 94 HB1 ALA 12 HB1 ALA 12 35.198 -2.227 10.059 95 HB2 ALA 12 HB2 ALA 12 34.404 -1.890 8.519 96 HB3 ALA 12 HB3 ALA 12 33.763 -3.137 9.591 97 H GLY 13 HN GLY 13 34.979 -0.239 11.971 98 HA2 GLY 13 HA3 GLY 13 34.656 -2.005 14.122 99 HA3 GLY 13 HA2 GLY 13 35.077 -0.296 14.321 100 H LYS 14 HN LYS 14 32.785 0.888 13.274 101 HA LYS 14 HA LYS 14 31.001 0.907 15.502 102 HB2 LYS 14 HB3 LYS 14 30.691 1.751 12.613 103 HB3 LYS 14 HB2 LYS 14 29.369 1.922 13.767 104 HG2 LYS 14 HG3 LYS 14 30.549 3.471 15.092 105 HG3 LYS 14 HG2 LYS 14 32.113 2.993 14.426 106 HD2 LYS 14 HD3 LYS 14 31.351 5.191 13.548 107 HD3 LYS 14 HD2 LYS 14 31.535 3.991 12.270 108 HE2 LYS 14 HE3 LYS 14 29.400 5.368 12.162 109 HE3 LYS 14 HE2 LYS 14 29.169 3.619 12.157 110 HZ1 LYS 14 HZ1 LYS 14 28.249 3.642 14.194 111 HZ2 LYS 14 HZ2 LYS 14 27.897 5.260 13.811 112 HZ3 LYS 14 HZ3 LYS 14 29.249 4.886 14.769 113 H ALA 15 HN ALA 15 30.701 -0.694 12.337 114 HA ALA 15 HA ALA 15 28.239 -2.029 12.789 115 HB1 ALA 15 HB1 ALA 15 30.634 -2.960 11.190 116 HB2 ALA 15 HB2 ALA 15 29.324 -1.948 10.584 117 HB3 ALA 15 HB3 ALA 15 29.003 -3.616 11.060 118 H ILE 16 HN ILE 16 31.582 -2.948 13.604 119 HA ILE 16 HA ILE 16 30.709 -5.546 14.614 120 HB ILE 16 HB ILE 16 33.303 -3.979 14.758 121 HG12 ILE 16 HG13 ILE 16 34.095 -6.197 13.678 122 HG13 ILE 16 HG12 ILE 16 32.387 -6.550 13.446 123 HG21 ILE 16 HG21 ILE 16 34.235 -6.081 15.896 124 HG22 ILE 16 HG22 ILE 16 32.561 -6.500 16.260 125 HG23 ILE 16 HG23 ILE 16 33.259 -5.015 16.907 126 HD11 ILE 16 HD11 ILE 16 32.108 -4.508 12.140 127 HD12 ILE 16 HD12 ILE 16 33.428 -5.455 11.463 128 HD13 ILE 16 HD13 ILE 16 33.779 -4.045 12.459 129 H HIS 17 HN HIS 17 31.133 -2.308 15.789 130 HA HIS 17 HA HIS 17 30.928 -3.017 18.600 131 HB2 HIS 17 HB3 HIS 17 31.458 -0.819 18.888 132 HB3 HIS 17 HB2 HIS 17 31.454 -0.639 17.146 133 HD1 HIS 17 HD1 HIS 17 29.383 0.469 16.053 134 HD2 HIS 17 HD2 HIS 17 29.057 0.011 20.179 135 HE1 HIS 17 HE1 HIS 17 27.357 1.808 16.753 136 HE2 HIS 17 HE2 HIS 17 27.158 1.566 19.274 137 H ARG 18 HN ARG 18 28.811 -3.094 16.016 138 HA ARG 18 HA ARG 18 26.390 -2.627 17.683 139 HB2 ARG 18 HB3 ARG 18 26.812 -3.092 14.726 140 HB3 ARG 18 HB2 ARG 18 25.216 -3.151 15.476 141 HG2 ARG 18 HG3 ARG 18 25.462 -0.882 16.302 142 HG3 ARG 18 HG2 ARG 18 27.118 -0.808 15.706 143 HD2 ARG 18 HD3 ARG 18 25.188 0.242 14.264 144 HD3 ARG 18 HD2 ARG 18 26.448 -0.697 13.465 145 HE ARG 18 HE ARG 18 24.545 -2.595 14.031 146 HH11 ARG 18 HH11 ARG 18 22.814 -3.079 12.669 147 HH12 ARG 18 HH12 ARG 18 22.231 -1.875 11.568 148 HH21 ARG 18 HH21 ARG 18 24.530 0.523 12.566 149 HH22 ARG 18 HH22 ARG 18 23.201 0.167 11.513 150 H LEU 19 HN LEU 19 28.341 -5.129 16.278 151 HA LEU 19 HA LEU 19 26.446 -7.276 16.483 152 HB2 LEU 19 HB3 LEU 19 28.313 -7.883 15.219 153 HB3 LEU 19 HB2 LEU 19 29.423 -6.995 16.249 154 HG LEU 19 HG LEU 19 29.215 -8.763 17.985 155 HD11 LEU 19 HD11 LEU 19 27.974 -10.770 17.602 156 HD12 LEU 19 HD12 LEU 19 27.702 -10.368 15.907 157 HD13 LEU 19 HD13 LEU 19 26.868 -9.468 17.170 158 HD21 LEU 19 HD21 LEU 19 31.002 -8.911 16.318 159 HD22 LEU 19 HD22 LEU 19 29.922 -9.755 15.210 160 HD23 LEU 19 HD23 LEU 19 30.414 -10.524 16.718 161 H ILE 20 HN ILE 20 28.739 -5.777 18.709 162 HA ILE 20 HA ILE 20 28.256 -7.642 20.890 163 HB ILE 20 HB ILE 20 30.110 -6.524 21.647 164 HG12 ILE 20 HG13 ILE 20 28.323 -4.075 21.947 165 HG13 ILE 20 HG12 ILE 20 28.465 -5.363 23.142 166 HG21 ILE 20 HG21 ILE 20 29.360 -4.358 19.705 167 HG22 ILE 20 HG22 ILE 20 30.429 -5.707 19.372 168 HG23 ILE 20 HG23 ILE 20 30.909 -4.465 20.522 169 HD11 ILE 20 HD11 ILE 20 30.921 -4.871 23.270 170 HD12 ILE 20 HD12 ILE 20 29.911 -3.517 23.779 171 HD13 ILE 20 HD13 ILE 20 30.660 -3.506 22.183 172 H ARG 21 HN ARG 21 27.013 -4.402 20.124 173 HA ARG 21 HA ARG 21 25.250 -4.177 22.327 174 HB2 ARG 21 HB3 ARG 21 24.951 -3.092 19.508 175 HB3 ARG 21 HB2 ARG 21 23.980 -2.574 20.886 176 HG2 ARG 21 HG3 ARG 21 25.887 -1.673 22.015 177 HG3 ARG 21 HG2 ARG 21 27.002 -2.453 20.897 178 HD2 ARG 21 HD3 ARG 21 26.589 -0.909 19.198 179 HD3 ARG 21 HD2 ARG 21 24.983 -0.512 19.803 180 HE ARG 21 HE ARG 21 27.458 0.766 20.580 181 HH11 ARG 21 HH11 ARG 21 27.296 2.362 22.175 182 HH12 ARG 21 HH12 ARG 21 25.867 2.451 23.149 183 HH21 ARG 21 HH21 ARG 21 24.324 -0.239 21.602 184 HH22 ARG 21 HH22 ARG 21 24.185 0.980 22.824 185 H ARG 22 HN ARG 22 24.786 -5.619 19.133 186 HA ARG 22 HA ARG 22 22.030 -6.357 19.556 187 HB2 ARG 22 HB3 ARG 22 24.206 -7.378 17.721 188 HB3 ARG 22 HB2 ARG 22 22.605 -8.119 17.753 189 HG2 ARG 22 HG3 ARG 22 21.542 -6.108 17.052 190 HG3 ARG 22 HG2 ARG 22 22.983 -5.143 17.380 191 HD2 ARG 22 HD3 ARG 22 22.786 -5.514 14.974 192 HD3 ARG 22 HD2 ARG 22 24.185 -6.389 15.594 193 HE ARG 22 HE ARG 22 21.724 -7.979 15.492 194 HH11 ARG 22 HH11 ARG 22 21.791 -9.738 14.074 195 HH12 ARG 22 HH12 ARG 22 23.064 -9.842 12.904 196 HH21 ARG 22 HH21 ARG 22 24.582 -6.888 13.898 197 HH22 ARG 22 HH22 ARG 22 24.643 -8.230 12.805 198 H ARG 23 HN ARG 23 25.039 -7.504 20.711 199 HA ARG 23 HA ARG 23 23.947 -10.143 21.523 200 HB2 ARG 23 HB3 ARG 23 26.349 -9.709 20.592 201 HB3 ARG 23 HB2 ARG 23 26.696 -9.085 22.202 202 HG2 ARG 23 HG3 ARG 23 27.259 -11.323 22.505 203 HG3 ARG 23 HG2 ARG 23 25.564 -11.367 22.985 204 HD2 ARG 23 HD3 ARG 23 25.116 -11.864 20.454 205 HD3 ARG 23 HD2 ARG 23 26.825 -12.297 20.411 206 HE ARG 23 HE ARG 23 25.467 -13.605 22.605 207 HH11 ARG 23 HH11 ARG 23 25.113 -15.830 22.388 208 HH12 ARG 23 HH12 ARG 23 25.236 -16.564 20.824 209 HH21 ARG 23 HH21 ARG 23 26.009 -13.600 19.199 210 HH22 ARG 23 HH22 ARG 23 25.742 -15.301 19.020 211 H ARG 24 HN ARG 24 22.959 -7.567 22.661 212 HA ARG 24 HA ARG 24 24.015 -7.052 25.227 213 HB2 ARG 24 HB3 ARG 24 21.546 -6.408 25.763 214 HB3 ARG 24 HB2 ARG 24 22.391 -5.507 24.507 215 HG2 ARG 24 HG3 ARG 24 21.347 -6.867 22.769 216 HG3 ARG 24 HG2 ARG 24 20.574 -7.880 23.987 217 HD2 ARG 24 HD3 ARG 24 20.119 -4.900 23.678 218 HD3 ARG 24 HD2 ARG 24 19.035 -6.151 23.069 219 HE ARG 24 HE ARG 24 19.482 -6.588 25.859 220 HH11 ARG 24 HH11 ARG 24 17.858 -5.964 27.307 221 HH12 ARG 24 HH12 ARG 24 16.665 -4.814 26.805 222 HH21 ARG 24 HH21 ARG 24 17.985 -4.432 23.623 223 HH22 ARG 24 HH22 ARG 24 16.735 -3.948 24.722 224 H ARG 25 HN ARG 25 24.611 -9.070 26.095 225 HA ARG 25 HA ARG 25 22.935 -11.330 26.416 226 HB2 ARG 25 HB3 ARG 25 25.003 -10.513 28.466 227 HB3 ARG 25 HB2 ARG 25 24.555 -12.138 27.945 228 HG2 ARG 25 HG3 ARG 25 25.426 -11.530 25.642 229 HG3 ARG 25 HG2 ARG 25 26.074 -10.055 26.359 230 HD2 ARG 25 HD3 ARG 25 27.785 -11.838 26.279 231 HD3 ARG 25 HD2 ARG 25 27.404 -11.385 27.941 232 HE ARG 25 HE ARG 25 26.591 -13.571 28.265 233 HH11 ARG 25 HH11 ARG 25 25.996 -15.635 27.562 234 HH12 ARG 25 HH12 ARG 25 25.838 -15.945 25.865 235 HH21 ARG 25 HH21 ARG 25 26.680 -12.713 24.929 236 HH22 ARG 25 HH22 ARG 25 26.225 -14.290 24.374 Start of MODEL 14 1 H1 PHE 1 H1 PHE 1 44.754 5.287 17.466 2 H2 PHE 1 H2 PHE 1 45.706 6.256 18.487 3 H3 PHE 1 H3 PHE 1 45.481 6.693 16.860 4 HA PHE 1 HA PHE 1 42.958 6.645 17.572 5 HB2 PHE 1 HB3 PHE 1 44.533 7.274 20.087 6 HB3 PHE 1 HB2 PHE 1 42.822 7.644 19.876 7 HD1 PHE 1 HD1 PHE 1 41.156 5.826 19.648 8 HD2 PHE 1 HD2 PHE 1 45.302 5.006 20.414 9 HE1 PHE 1 HE1 PHE 1 40.575 3.507 20.314 10 HE2 PHE 1 HE2 PHE 1 44.722 2.689 21.077 11 HZ PHE 1 HZ PHE 1 42.358 1.939 21.027 12 H ILE 2 HN ILE 2 44.524 7.999 15.805 13 HA ILE 2 HA ILE 2 44.900 10.766 16.797 14 HB ILE 2 HB ILE 2 45.387 9.628 14.025 15 HG12 ILE 2 HG13 ILE 2 47.407 10.161 16.219 16 HG13 ILE 2 HG12 ILE 2 46.720 8.568 15.907 17 HG21 ILE 2 HG21 ILE 2 46.699 12.071 15.213 18 HG22 ILE 2 HG22 ILE 2 45.114 12.213 14.465 19 HG23 ILE 2 HG23 ILE 2 46.483 11.642 13.518 20 HD11 ILE 2 HD11 ILE 2 48.075 10.199 13.751 21 HD12 ILE 2 HD12 ILE 2 47.651 8.487 13.709 22 HD13 ILE 2 HD13 ILE 2 48.949 9.049 14.763 23 H HIS 3 HN HIS 3 43.867 10.339 13.500 24 HA HIS 3 HA HIS 3 41.070 10.999 14.074 25 HB2 HIS 3 HB3 HIS 3 41.137 13.155 12.883 26 HB3 HIS 3 HB2 HIS 3 42.159 13.185 14.318 27 HD1 HIS 3 HD1 HIS 3 42.778 15.181 12.128 28 HD2 HIS 3 HD2 HIS 3 44.526 11.390 12.234 29 HE1 HIS 3 HE1 HIS 3 44.920 15.329 10.788 30 HE2 HIS 3 HE2 HIS 3 45.974 13.029 10.827 31 H HIS 4 HN HIS 4 43.558 9.981 11.963 32 HA HIS 4 HA HIS 4 41.685 9.806 9.643 33 HB2 HIS 4 HB3 HIS 4 43.600 9.530 8.252 34 HB3 HIS 4 HB2 HIS 4 44.026 10.816 9.380 35 HD1 HIS 4 HD1 HIS 4 46.224 10.496 10.535 36 HD2 HIS 4 HD2 HIS 4 44.572 6.873 9.303 37 HE1 HIS 4 HE1 HIS 4 47.918 8.702 11.122 38 HE2 HIS 4 HE2 HIS 4 46.923 6.489 10.375 39 H ILE 5 HN ILE 5 42.833 8.027 12.240 40 HA ILE 5 HA ILE 5 42.699 5.423 10.839 41 HB ILE 5 HB ILE 5 43.571 4.455 12.813 42 HG12 ILE 5 HG13 ILE 5 42.049 5.375 14.487 43 HG13 ILE 5 HG12 ILE 5 43.706 5.694 14.982 44 HG21 ILE 5 HG21 ILE 5 45.503 5.883 13.386 45 HG22 ILE 5 HG22 ILE 5 44.706 7.262 12.632 46 HG23 ILE 5 HG23 ILE 5 45.195 5.881 11.651 47 HD11 ILE 5 HD11 ILE 5 41.771 7.642 13.726 48 HD12 ILE 5 HD12 ILE 5 43.487 7.982 13.911 49 HD13 ILE 5 HD13 ILE 5 42.480 7.723 15.332 50 H ILE 6 HN ILE 6 40.509 7.584 12.000 51 HA ILE 6 HA ILE 6 38.692 5.612 13.246 52 HB ILE 6 HB ILE 6 37.180 7.854 13.120 53 HG12 ILE 6 HG13 ILE 6 39.958 9.017 13.346 54 HG13 ILE 6 HG12 ILE 6 39.152 8.920 11.786 55 HG21 ILE 6 HG21 ILE 6 38.089 8.453 15.344 56 HG22 ILE 6 HG22 ILE 6 39.472 7.398 15.051 57 HG23 ILE 6 HG23 ILE 6 37.854 6.712 15.182 58 HD11 ILE 6 HD11 ILE 6 37.986 10.249 14.244 59 HD12 ILE 6 HD12 ILE 6 37.276 10.228 12.629 60 HD13 ILE 6 HD13 ILE 6 38.779 11.104 12.921 61 H GLY 7 HN GLY 7 38.149 8.033 10.663 62 HA2 GLY 7 HA3 GLY 7 35.972 6.617 9.503 63 HA3 GLY 7 HA2 GLY 7 36.941 7.831 8.660 64 H GLY 8 HN GLY 8 39.000 5.556 9.821 65 HA2 GLY 8 HA3 GLY 8 39.157 4.177 7.175 66 HA3 GLY 8 HA2 GLY 8 40.476 4.300 8.349 67 H LEU 9 HN LEU 9 38.837 3.677 10.635 68 HA LEU 9 HA LEU 9 38.297 0.762 10.182 69 HB2 LEU 9 HB3 LEU 9 40.226 0.924 11.582 70 HB3 LEU 9 HB2 LEU 9 39.562 2.288 12.474 71 HG LEU 9 HG LEU 9 37.892 0.851 13.512 72 HD11 LEU 9 HD11 LEU 9 39.083 -1.242 11.676 73 HD12 LEU 9 HD12 LEU 9 37.398 -0.739 11.789 74 HD13 LEU 9 HD13 LEU 9 38.128 -1.670 13.095 75 HD21 LEU 9 HD21 LEU 9 39.410 -0.629 14.799 76 HD22 LEU 9 HD22 LEU 9 40.100 0.981 14.584 77 HD23 LEU 9 HD23 LEU 9 40.670 -0.365 13.595 78 H PHE 10 HN PHE 10 37.494 3.650 12.092 79 HA PHE 10 HA PHE 10 35.275 2.895 13.520 80 HB2 PHE 10 HB3 PHE 10 36.389 5.213 13.177 81 HB3 PHE 10 HB2 PHE 10 35.245 5.414 11.851 82 HD1 PHE 10 HD1 PHE 10 35.311 4.277 15.429 83 HD2 PHE 10 HD2 PHE 10 33.180 6.398 12.362 84 HE1 PHE 10 HE1 PHE 10 33.568 4.911 17.080 85 HE2 PHE 10 HE2 PHE 10 31.435 7.031 14.012 86 HZ PHE 10 HZ PHE 10 31.632 6.288 16.372 87 H SER 11 HN SER 11 35.492 3.244 10.025 88 HA SER 11 HA SER 11 32.710 3.303 9.418 89 HB2 SER 11 HB3 SER 11 35.096 2.212 7.908 90 HB3 SER 11 HB2 SER 11 33.464 2.176 7.238 91 HG SER 11 HG SER 11 34.833 4.081 6.761 92 H ALA 12 HN ALA 12 34.943 0.549 9.802 93 HA ALA 12 HA ALA 12 32.683 -1.352 9.684 94 HB1 ALA 12 HB1 ALA 12 34.513 -3.038 10.206 95 HB2 ALA 12 HB2 ALA 12 35.664 -1.704 10.110 96 HB3 ALA 12 HB3 ALA 12 34.724 -2.162 8.689 97 H GLY 13 HN GLY 13 34.712 0.330 11.952 98 HA2 GLY 13 HA3 GLY 13 34.413 -1.187 14.288 99 HA3 GLY 13 HA2 GLY 13 34.460 0.585 14.274 100 H LYS 14 HN LYS 14 32.180 1.122 12.783 101 HA LYS 14 HA LYS 14 30.100 1.079 14.712 102 HB2 LYS 14 HB3 LYS 14 29.984 1.249 11.687 103 HB3 LYS 14 HB2 LYS 14 28.572 1.468 12.720 104 HG2 LYS 14 HG3 LYS 14 29.498 3.406 13.752 105 HG3 LYS 14 HG2 LYS 14 31.106 3.074 13.098 106 HD2 LYS 14 HD3 LYS 14 30.340 3.522 10.838 107 HD3 LYS 14 HD2 LYS 14 28.675 3.694 11.395 108 HE2 LYS 14 HE3 LYS 14 30.971 5.461 12.288 109 HE3 LYS 14 HE2 LYS 14 29.812 5.893 11.032 110 HZ1 LYS 14 HZ1 LYS 14 29.498 6.440 13.636 111 HZ2 LYS 14 HZ2 LYS 14 28.635 4.983 13.509 112 HZ3 LYS 14 HZ3 LYS 14 28.220 6.307 12.529 113 H ALA 15 HN ALA 15 30.590 -1.061 11.896 114 HA ALA 15 HA ALA 15 28.402 -2.815 12.366 115 HB1 ALA 15 HB1 ALA 15 29.680 -2.892 10.282 116 HB2 ALA 15 HB2 ALA 15 29.721 -4.473 11.063 117 HB3 ALA 15 HB3 ALA 15 31.119 -3.403 11.162 118 H ILE 16 HN ILE 16 31.729 -2.815 13.627 119 HA ILE 16 HA ILE 16 31.291 -5.339 15.032 120 HB ILE 16 HB ILE 16 33.452 -3.209 15.153 121 HG12 ILE 16 HG13 ILE 16 34.822 -5.336 14.518 122 HG13 ILE 16 HG12 ILE 16 33.260 -6.049 14.132 123 HG21 ILE 16 HG21 ILE 16 34.653 -4.869 16.686 124 HG22 ILE 16 HG22 ILE 16 33.082 -5.634 16.927 125 HG23 ILE 16 HG23 ILE 16 33.333 -3.959 17.422 126 HD11 ILE 16 HD11 ILE 16 34.285 -3.442 12.979 127 HD12 ILE 16 HD12 ILE 16 32.807 -4.286 12.517 128 HD13 ILE 16 HD13 ILE 16 34.377 -5.000 12.160 129 H HIS 17 HN HIS 17 30.818 -1.955 15.588 130 HA HIS 17 HA HIS 17 30.437 -2.193 18.459 131 HB2 HIS 17 HB3 HIS 17 30.399 0.084 18.361 132 HB3 HIS 17 HB2 HIS 17 30.609 -0.047 16.627 133 HD1 HIS 17 HD1 HIS 17 28.544 0.389 15.136 134 HD2 HIS 17 HD2 HIS 17 27.695 0.444 19.212 135 HE1 HIS 17 HE1 HIS 17 26.189 1.282 15.353 136 HE2 HIS 17 HE2 HIS 17 25.658 1.340 17.836 137 H ARG 18 HN ARG 18 28.732 -3.206 15.760 138 HA ARG 18 HA ARG 18 26.080 -3.088 17.096 139 HB2 ARG 18 HB3 ARG 18 26.955 -3.980 14.344 140 HB3 ARG 18 HB2 ARG 18 25.327 -4.249 14.972 141 HG2 ARG 18 HG3 ARG 18 25.033 -1.857 15.338 142 HG3 ARG 18 HG2 ARG 18 26.684 -1.549 14.805 143 HD2 ARG 18 HD3 ARG 18 24.658 -1.274 13.113 144 HD3 ARG 18 HD2 ARG 18 26.185 -1.961 12.565 145 HE ARG 18 HE ARG 18 24.855 -4.200 13.334 146 HH11 ARG 18 HH11 ARG 18 23.373 -5.343 12.076 147 HH12 ARG 18 HH12 ARG 18 22.467 -4.515 10.855 148 HH21 ARG 18 HH21 ARG 18 23.917 -1.431 11.496 149 HH22 ARG 18 HH22 ARG 18 22.776 -2.300 10.527 150 H LEU 19 HN LEU 19 28.709 -5.228 16.361 151 HA LEU 19 HA LEU 19 27.370 -7.713 16.828 152 HB2 LEU 19 HB3 LEU 19 29.509 -7.985 15.909 153 HB3 LEU 19 HB2 LEU 19 30.208 -6.724 16.913 154 HG LEU 19 HG LEU 19 30.083 -8.239 18.884 155 HD11 LEU 19 HD11 LEU 19 29.241 -10.338 16.859 156 HD12 LEU 19 HD12 LEU 19 28.134 -9.584 18.002 157 HD13 LEU 19 HD13 LEU 19 29.469 -10.574 18.590 158 HD21 LEU 19 HD21 LEU 19 31.911 -9.657 18.236 159 HD22 LEU 19 HD22 LEU 19 32.076 -8.151 17.335 160 HD23 LEU 19 HD23 LEU 19 31.437 -9.590 16.540 161 H ILE 20 HN ILE 20 28.934 -5.344 18.927 162 HA ILE 20 HA ILE 20 28.544 -6.860 21.374 163 HB ILE 20 HB ILE 20 29.974 -5.229 22.101 164 HG12 ILE 20 HG13 ILE 20 27.720 -3.233 21.649 165 HG13 ILE 20 HG12 ILE 20 27.913 -4.210 23.103 166 HG21 ILE 20 HG21 ILE 20 29.135 -3.674 19.670 167 HG22 ILE 20 HG22 ILE 20 30.475 -4.804 19.746 168 HG23 ILE 20 HG23 ILE 20 30.535 -3.302 20.661 169 HD11 ILE 20 HD11 ILE 20 30.177 -3.176 23.408 170 HD12 ILE 20 HD12 ILE 20 28.855 -2.011 23.504 171 HD13 ILE 20 HD13 ILE 20 29.829 -2.121 22.038 172 H ARG 21 HN ARG 21 26.753 -4.175 19.876 173 HA ARG 21 HA ARG 21 24.707 -4.006 21.809 174 HB2 ARG 21 HB3 ARG 21 24.584 -3.550 18.820 175 HB3 ARG 21 HB2 ARG 21 23.289 -3.114 19.937 176 HG2 ARG 21 HG3 ARG 21 24.752 -1.611 21.142 177 HG3 ARG 21 HG2 ARG 21 26.141 -2.136 20.193 178 HD2 ARG 21 HD3 ARG 21 25.348 -0.023 19.307 179 HD3 ARG 21 HD2 ARG 21 24.994 -1.300 18.143 180 HE ARG 21 HE ARG 21 22.682 -1.010 18.578 181 HH11 ARG 21 HH11 ARG 21 20.961 0.138 19.484 182 HH12 ARG 21 HH12 ARG 21 21.266 1.253 20.774 183 HH21 ARG 21 HH21 ARG 21 24.680 0.658 20.839 184 HH22 ARG 21 HH22 ARG 21 23.370 1.547 21.541 185 H ARG 22 HN ARG 22 25.061 -6.097 18.993 186 HA ARG 22 HA ARG 22 22.516 -7.429 19.295 187 HB2 ARG 22 HB3 ARG 22 25.112 -8.149 17.917 188 HB3 ARG 22 HB2 ARG 22 23.748 -9.269 17.956 189 HG2 ARG 22 HG3 ARG 22 22.309 -7.586 16.896 190 HG3 ARG 22 HG2 ARG 22 23.639 -6.427 16.898 191 HD2 ARG 22 HD3 ARG 22 23.573 -7.399 14.703 192 HD3 ARG 22 HD2 ARG 22 24.963 -8.101 15.530 193 HE ARG 22 HE ARG 22 22.963 -9.910 16.069 194 HH11 ARG 22 HH11 ARG 22 22.455 -11.645 14.716 195 HH12 ARG 22 HH12 ARG 22 22.798 -11.535 13.022 196 HH21 ARG 22 HH21 ARG 22 24.137 -8.343 13.230 197 HH22 ARG 22 HH22 ARG 22 23.754 -9.667 12.183 198 H ARG 23 HN ARG 23 25.505 -7.515 20.959 199 HA ARG 23 HA ARG 23 24.942 -10.164 22.189 200 HB2 ARG 23 HB3 ARG 23 27.290 -9.352 21.387 201 HB3 ARG 23 HB2 ARG 23 27.292 -8.385 22.860 202 HG2 ARG 23 HG3 ARG 23 28.260 -10.340 23.670 203 HG3 ARG 23 HG2 ARG 23 26.563 -10.692 23.991 204 HD2 ARG 23 HD3 ARG 23 26.628 -11.676 21.522 205 HD3 ARG 23 HD2 ARG 23 28.357 -11.799 21.848 206 HE ARG 23 HE ARG 23 27.159 -12.942 24.077 207 HH11 ARG 23 HH11 ARG 23 26.719 -15.167 24.181 208 HH12 ARG 23 HH12 ARG 23 26.517 -16.062 22.712 209 HH21 ARG 23 HH21 ARG 23 27.022 -13.314 20.658 210 HH22 ARG 23 HH22 ARG 23 26.684 -15.011 20.716 211 H ARG 24 HN ARG 24 23.301 -7.714 22.703 212 HA ARG 24 HA ARG 24 23.918 -6.561 25.217 213 HB2 ARG 24 HB3 ARG 24 21.327 -6.345 25.374 214 HB3 ARG 24 HB2 ARG 24 22.153 -5.520 24.052 215 HG2 ARG 24 HG3 ARG 24 21.600 -7.309 22.508 216 HG3 ARG 24 HG2 ARG 24 20.923 -8.283 23.812 217 HD2 ARG 24 HD3 ARG 24 19.064 -7.263 22.720 218 HD3 ARG 24 HD2 ARG 24 19.294 -6.363 24.219 219 HE ARG 24 HE ARG 24 20.779 -4.893 22.470 220 HH11 ARG 24 HH11 ARG 24 19.980 -3.293 21.091 221 HH12 ARG 24 HH12 ARG 24 18.329 -3.362 20.569 222 HH21 ARG 24 HH21 ARG 24 17.616 -6.264 22.328 223 HH22 ARG 24 HH22 ARG 24 16.992 -5.043 21.270 224 H ARG 25 HN ARG 25 24.791 -8.357 26.416 225 HA ARG 25 HA ARG 25 23.425 -10.762 27.001 226 HB2 ARG 25 HB3 ARG 25 25.366 -9.206 28.738 227 HB3 ARG 25 HB2 ARG 25 24.901 -10.888 28.994 228 HG2 ARG 25 HG3 ARG 25 25.679 -11.284 26.563 229 HG3 ARG 25 HG2 ARG 25 26.465 -9.711 26.696 230 HD2 ARG 25 HD3 ARG 25 28.147 -11.236 27.345 231 HD3 ARG 25 HD2 ARG 25 27.512 -10.638 28.878 232 HE ARG 25 HE ARG 25 25.988 -12.905 28.317 233 HH11 ARG 25 HH11 ARG 25 26.580 -14.961 29.057 234 HH12 ARG 25 HH12 ARG 25 28.234 -15.281 29.458 235 HH21 ARG 25 HH21 ARG 25 29.320 -12.085 28.658 236 HH22 ARG 25 HH22 ARG 25 29.786 -13.652 29.229 Start of MODEL 15 1 H1 PHE 1 H1 PHE 1 45.955 7.289 15.589 2 H2 PHE 1 H2 PHE 1 45.879 5.821 16.441 3 H3 PHE 1 H3 PHE 1 46.724 7.142 17.093 4 HA PHE 1 HA PHE 1 43.798 6.824 16.770 5 HB2 PHE 1 HB3 PHE 1 45.035 5.934 18.813 6 HB3 PHE 1 HB2 PHE 1 45.445 7.609 19.188 7 HD1 PHE 1 HD1 PHE 1 43.941 8.909 20.443 8 HD2 PHE 1 HD2 PHE 1 42.501 5.443 18.354 9 HE1 PHE 1 HE1 PHE 1 41.706 9.219 21.470 10 HE2 PHE 1 HE2 PHE 1 40.266 5.753 19.381 11 HZ PHE 1 HZ PHE 1 39.868 7.640 20.939 12 H ILE 2 HN ILE 2 44.740 8.720 15.080 13 HA ILE 2 HA ILE 2 44.713 11.328 16.518 14 HB ILE 2 HB ILE 2 45.180 10.725 13.576 15 HG12 ILE 2 HG13 ILE 2 47.568 11.299 14.191 16 HG13 ILE 2 HG12 ILE 2 47.085 11.235 15.883 17 HG21 ILE 2 HG21 ILE 2 45.797 12.998 13.332 18 HG22 ILE 2 HG22 ILE 2 45.906 13.248 15.073 19 HG23 ILE 2 HG23 ILE 2 44.335 13.073 14.306 20 HD11 ILE 2 HD11 ILE 2 46.958 8.948 15.897 21 HD12 ILE 2 HD12 ILE 2 48.078 9.099 14.547 22 HD13 ILE 2 HD13 ILE 2 46.361 8.853 14.238 23 H HIS 3 HN HIS 3 43.451 10.996 13.264 24 HA HIS 3 HA HIS 3 40.656 11.084 14.148 25 HB2 HIS 3 HB3 HIS 3 40.210 13.285 13.131 26 HB3 HIS 3 HB2 HIS 3 41.353 13.415 14.464 27 HD1 HIS 3 HD1 HIS 3 41.385 15.630 12.409 28 HD2 HIS 3 HD2 HIS 3 43.760 12.219 12.022 29 HE1 HIS 3 HE1 HIS 3 43.308 16.254 10.885 30 HE2 HIS 3 HE2 HIS 3 44.744 14.183 10.631 31 H HIS 4 HN HIS 4 43.049 10.628 11.778 32 HA HIS 4 HA HIS 4 41.016 10.236 9.616 33 HB2 HIS 4 HB3 HIS 4 42.836 10.366 8.049 34 HB3 HIS 4 HB2 HIS 4 43.023 11.717 9.166 35 HD1 HIS 4 HD1 HIS 4 45.310 11.936 10.142 36 HD2 HIS 4 HD2 HIS 4 44.477 8.016 9.007 37 HE1 HIS 4 HE1 HIS 4 47.417 10.600 10.596 38 HE2 HIS 4 HE2 HIS 4 46.925 8.210 9.898 39 H ILE 5 HN ILE 5 42.825 8.610 11.938 40 HA ILE 5 HA ILE 5 43.048 6.111 10.392 41 HB ILE 5 HB ILE 5 44.227 5.228 12.243 42 HG12 ILE 5 HG13 ILE 5 42.664 5.743 14.056 43 HG13 ILE 5 HG12 ILE 5 44.264 6.335 14.483 44 HG21 ILE 5 HG21 ILE 5 45.460 7.009 11.090 45 HG22 ILE 5 HG22 ILE 5 45.879 6.979 12.801 46 HG23 ILE 5 HG23 ILE 5 44.778 8.211 12.186 47 HD11 ILE 5 HD11 ILE 5 41.932 7.964 13.469 48 HD12 ILE 5 HD12 ILE 5 43.564 8.605 13.607 49 HD13 ILE 5 HD13 ILE 5 42.700 8.067 15.045 50 H ILE 6 HN ILE 6 40.598 7.756 11.862 51 HA ILE 6 HA ILE 6 39.240 5.399 13.022 52 HB ILE 6 HB ILE 6 37.359 7.319 13.192 53 HG12 ILE 6 HG13 ILE 6 39.875 8.984 13.314 54 HG13 ILE 6 HG12 ILE 6 38.978 8.827 11.811 55 HG21 ILE 6 HG21 ILE 6 38.491 8.039 15.360 56 HG22 ILE 6 HG22 ILE 6 39.837 7.000 14.891 57 HG23 ILE 6 HG23 ILE 6 38.239 6.304 15.160 58 HD11 ILE 6 HD11 ILE 6 38.366 10.816 13.296 59 HD12 ILE 6 HD12 ILE 6 37.649 9.637 14.394 60 HD13 ILE 6 HD13 ILE 6 37.027 9.804 12.752 61 H GLY 7 HN GLY 7 38.456 7.829 10.505 62 HA2 GLY 7 HA3 GLY 7 36.273 6.390 9.398 63 HA3 GLY 7 HA2 GLY 7 37.240 7.576 8.513 64 H GLY 8 HN GLY 8 39.370 5.420 9.674 65 HA2 GLY 8 HA3 GLY 8 39.564 4.008 7.068 66 HA3 GLY 8 HA2 GLY 8 40.811 4.050 8.320 67 H LEU 9 HN LEU 9 39.022 3.386 10.491 68 HA LEU 9 HA LEU 9 38.242 0.567 9.828 69 HB2 LEU 9 HB3 LEU 9 39.124 -0.110 12.040 70 HB3 LEU 9 HB2 LEU 9 40.393 0.537 11.003 71 HG LEU 9 HG LEU 9 39.526 2.839 12.267 72 HD11 LEU 9 HD11 LEU 9 39.392 2.284 14.691 73 HD12 LEU 9 HD12 LEU 9 39.344 0.571 14.275 74 HD13 LEU 9 HD13 LEU 9 38.029 1.635 13.782 75 HD21 LEU 9 HD21 LEU 9 41.648 0.922 13.290 76 HD22 LEU 9 HD22 LEU 9 41.561 2.648 13.641 77 HD23 LEU 9 HD23 LEU 9 41.874 2.098 11.995 78 H PHE 10 HN PHE 10 37.836 3.420 11.843 79 HA PHE 10 HA PHE 10 35.830 2.706 13.600 80 HB2 PHE 10 HB3 PHE 10 36.935 4.986 13.185 81 HB3 PHE 10 HB2 PHE 10 35.710 5.231 11.938 82 HD1 PHE 10 HD1 PHE 10 36.060 4.219 15.528 83 HD2 PHE 10 HD2 PHE 10 33.627 6.122 12.547 84 HE1 PHE 10 HE1 PHE 10 34.435 4.885 17.282 85 HE2 PHE 10 HE2 PHE 10 32.000 6.790 14.299 86 HZ PHE 10 HZ PHE 10 32.404 6.170 16.666 87 H SER 11 HN SER 11 35.603 3.064 10.113 88 HA SER 11 HA SER 11 32.769 3.234 9.869 89 HB2 SER 11 HB3 SER 11 34.713 1.855 7.989 90 HB3 SER 11 HB2 SER 11 33.090 2.417 7.581 91 HG SER 11 HG SER 11 33.981 4.535 8.413 92 H ALA 12 HN ALA 12 34.911 0.367 9.878 93 HA ALA 12 HA ALA 12 32.575 -1.425 9.980 94 HB1 ALA 12 HB1 ALA 12 35.519 -2.081 10.295 95 HB2 ALA 12 HB2 ALA 12 34.651 -2.096 8.760 96 HB3 ALA 12 HB3 ALA 12 34.213 -3.236 10.034 97 H GLY 13 HN GLY 13 34.978 -0.027 12.118 98 HA2 GLY 13 HA3 GLY 13 34.700 -1.660 14.387 99 HA3 GLY 13 HA2 GLY 13 34.960 0.089 14.470 100 H LYS 14 HN LYS 14 32.648 0.986 13.221 101 HA LYS 14 HA LYS 14 30.738 1.010 15.340 102 HB2 LYS 14 HB3 LYS 14 30.485 1.599 12.381 103 HB3 LYS 14 HB2 LYS 14 29.140 1.802 13.506 104 HG2 LYS 14 HG3 LYS 14 30.288 3.471 14.751 105 HG3 LYS 14 HG2 LYS 14 31.838 3.068 14.007 106 HD2 LYS 14 HD3 LYS 14 30.920 5.137 13.039 107 HD3 LYS 14 HD2 LYS 14 31.002 3.861 11.828 108 HE2 LYS 14 HE3 LYS 14 28.824 5.218 11.919 109 HE3 LYS 14 HE2 LYS 14 28.661 3.464 11.933 110 HZ1 LYS 14 HZ1 LYS 14 28.406 3.501 14.305 111 HZ2 LYS 14 HZ2 LYS 14 27.282 4.575 13.618 112 HZ3 LYS 14 HZ3 LYS 14 28.690 5.172 14.360 113 H ALA 15 HN ALA 15 30.805 -0.842 12.308 114 HA ALA 15 HA ALA 15 28.410 -2.328 12.670 115 HB1 ALA 15 HB1 ALA 15 29.380 -3.934 11.105 116 HB2 ALA 15 HB2 ALA 15 30.983 -3.247 11.366 117 HB3 ALA 15 HB3 ALA 15 29.734 -2.292 10.566 118 H ILE 16 HN ILE 16 31.734 -2.919 13.794 119 HA ILE 16 HA ILE 16 30.981 -5.494 14.950 120 HB ILE 16 HB ILE 16 33.435 -3.731 15.039 121 HG12 ILE 16 HG13 ILE 16 34.487 -5.923 14.323 122 HG13 ILE 16 HG12 ILE 16 32.862 -6.593 14.227 123 HG21 ILE 16 HG21 ILE 16 32.818 -6.031 16.908 124 HG22 ILE 16 HG22 ILE 16 33.357 -4.405 17.330 125 HG23 ILE 16 HG23 ILE 16 34.469 -5.526 16.546 126 HD11 ILE 16 HD11 ILE 16 32.233 -4.913 12.567 127 HD12 ILE 16 HD12 ILE 16 33.680 -5.761 12.027 128 HD13 ILE 16 HD13 ILE 16 33.813 -4.145 12.716 129 H HIS 17 HN HIS 17 31.087 -2.155 15.891 130 HA HIS 17 HA HIS 17 30.741 -2.656 18.728 131 HB2 HIS 17 HB3 HIS 17 31.066 -0.404 18.869 132 HB3 HIS 17 HB2 HIS 17 31.178 -0.364 17.121 133 HD1 HIS 17 HD1 HIS 17 29.131 0.523 15.809 134 HD2 HIS 17 HD2 HIS 17 28.494 0.269 19.915 135 HE1 HIS 17 HE1 HIS 17 26.955 1.724 16.260 136 HE2 HIS 17 HE2 HIS 17 26.557 1.597 18.766 137 H ARG 18 HN ARG 18 28.805 -3.089 16.035 138 HA ARG 18 HA ARG 18 26.252 -2.698 17.510 139 HB2 ARG 18 HB3 ARG 18 26.913 -3.337 14.633 140 HB3 ARG 18 HB2 ARG 18 25.275 -3.466 15.278 141 HG2 ARG 18 HG3 ARG 18 25.275 -1.139 15.926 142 HG3 ARG 18 HG2 ARG 18 26.976 -0.974 15.501 143 HD2 ARG 18 HD3 ARG 18 25.144 -0.160 13.802 144 HD3 ARG 18 HD2 ARG 18 26.545 -1.042 13.201 145 HE ARG 18 HE ARG 18 24.590 -2.977 13.779 146 HH11 ARG 18 HH11 ARG 18 23.213 -3.742 12.154 147 HH12 ARG 18 HH12 ARG 18 22.957 -2.783 10.735 148 HH21 ARG 18 HH21 ARG 18 25.040 -0.212 11.774 149 HH22 ARG 18 HH22 ARG 18 23.992 -0.784 10.519 150 H LEU 19 HN LEU 19 28.452 -5.143 16.396 151 HA LEU 19 HA LEU 19 26.712 -7.400 16.676 152 HB2 LEU 19 HB3 LEU 19 28.700 -7.961 15.582 153 HB3 LEU 19 HB2 LEU 19 29.675 -6.928 16.616 154 HG LEU 19 HG LEU 19 29.452 -8.576 18.465 155 HD11 LEU 19 HD11 LEU 19 27.217 -9.490 17.565 156 HD12 LEU 19 HD12 LEU 19 28.368 -10.688 18.144 157 HD13 LEU 19 HD13 LEU 19 28.180 -10.410 16.414 158 HD21 LEU 19 HD21 LEU 19 30.352 -9.946 15.922 159 HD22 LEU 19 HD22 LEU 19 30.974 -10.184 17.555 160 HD23 LEU 19 HD23 LEU 19 31.284 -8.669 16.706 161 H ILE 20 HN ILE 20 28.755 -5.578 18.909 162 HA ILE 20 HA ILE 20 28.255 -7.303 21.189 163 HB ILE 20 HB ILE 20 29.955 -6.002 21.998 164 HG12 ILE 20 HG13 ILE 20 28.009 -3.658 21.934 165 HG13 ILE 20 HG12 ILE 20 28.129 -4.825 23.249 166 HG21 ILE 20 HG21 ILE 20 29.246 -4.048 19.827 167 HG22 ILE 20 HG22 ILE 20 30.392 -5.368 19.674 168 HG23 ILE 20 HG23 ILE 20 30.737 -4.019 20.752 169 HD11 ILE 20 HD11 ILE 20 30.219 -2.850 22.314 170 HD12 ILE 20 HD12 ILE 20 30.579 -4.169 23.429 171 HD13 ILE 20 HD13 ILE 20 29.426 -2.915 23.888 172 H ARG 21 HN ARG 21 26.841 -4.204 20.146 173 HA ARG 21 HA ARG 21 24.936 -3.966 22.199 174 HB2 ARG 21 HB3 ARG 21 24.735 -3.167 19.285 175 HB3 ARG 21 HB2 ARG 21 23.592 -2.657 20.530 176 HG2 ARG 21 HG3 ARG 21 25.350 -1.543 21.769 177 HG3 ARG 21 HG2 ARG 21 26.578 -2.176 20.677 178 HD2 ARG 21 HD3 ARG 21 25.919 0.206 20.213 179 HD3 ARG 21 HD2 ARG 21 25.712 -0.880 18.842 180 HE ARG 21 HE ARG 21 23.263 -0.792 20.299 181 HH11 ARG 21 HH11 ARG 21 21.578 0.487 19.499 182 HH12 ARG 21 HH12 ARG 21 21.931 1.761 18.381 183 HH21 ARG 21 HH21 ARG 21 25.344 1.149 18.350 184 HH22 ARG 21 HH22 ARG 21 24.062 2.136 17.730 185 H ARG 22 HN ARG 22 24.809 -5.749 19.159 186 HA ARG 22 HA ARG 22 22.110 -6.714 19.540 187 HB2 ARG 22 HB3 ARG 22 24.442 -7.675 17.864 188 HB3 ARG 22 HB2 ARG 22 22.892 -8.520 17.888 189 HG2 ARG 22 HG3 ARG 22 21.730 -6.580 17.070 190 HG3 ARG 22 HG2 ARG 22 23.159 -5.567 17.279 191 HD2 ARG 22 HD3 ARG 22 22.938 -6.160 14.926 192 HD3 ARG 22 HD2 ARG 22 24.352 -6.970 15.598 193 HE ARG 22 HE ARG 22 22.001 -8.649 15.777 194 HH11 ARG 22 HH11 ARG 22 21.922 -10.423 14.382 195 HH12 ARG 22 HH12 ARG 22 22.970 -10.472 13.003 196 HH21 ARG 22 HH21 ARG 22 24.453 -7.411 13.692 197 HH22 ARG 22 HH22 ARG 22 24.404 -8.764 12.612 198 H ARG 23 HN ARG 23 25.144 -7.409 20.936 199 HA ARG 23 HA ARG 23 24.282 -10.081 21.929 200 HB2 ARG 23 HB3 ARG 23 26.652 -9.553 20.993 201 HB3 ARG 23 HB2 ARG 23 26.921 -8.737 22.530 202 HG2 ARG 23 HG3 ARG 23 27.652 -10.875 23.090 203 HG3 ARG 23 HG2 ARG 23 25.954 -11.016 23.537 204 HD2 ARG 23 HD3 ARG 23 25.444 -12.032 21.360 205 HD3 ARG 23 HD2 ARG 23 27.124 -11.842 20.861 206 HE ARG 23 HE ARG 23 26.822 -13.372 23.329 207 HH11 ARG 23 HH11 ARG 23 27.401 -15.553 23.184 208 HH12 ARG 23 HH12 ARG 23 27.602 -16.279 21.624 209 HH21 ARG 23 HH21 ARG 23 26.837 -13.379 19.882 210 HH22 ARG 23 HH22 ARG 23 27.280 -15.049 19.754 211 H ARG 24 HN ARG 24 23.027 -7.550 22.863 212 HA ARG 24 HA ARG 24 24.022 -6.730 25.392 213 HB2 ARG 24 HB3 ARG 24 22.085 -5.713 24.051 214 HB3 ARG 24 HB2 ARG 24 21.085 -7.008 24.705 215 HG2 ARG 24 HG3 ARG 24 20.707 -5.371 26.313 216 HG3 ARG 24 HG2 ARG 24 22.099 -6.178 27.030 217 HD2 ARG 24 HD3 ARG 24 22.464 -3.768 27.074 218 HD3 ARG 24 HD2 ARG 24 23.583 -4.492 25.920 219 HE ARG 24 HE ARG 24 22.459 -3.339 24.191 220 HH11 ARG 24 HH11 ARG 24 20.858 -1.946 23.413 221 HH12 ARG 24 HH12 ARG 24 19.519 -1.530 24.431 222 HH21 ARG 24 HH21 ARG 24 20.616 -3.448 27.105 223 HH22 ARG 24 HH22 ARG 24 19.383 -2.380 26.521 224 H ARG 25 HN ARG 25 24.801 -8.805 26.258 225 HA ARG 25 HA ARG 25 23.144 -11.035 26.819 226 HB2 ARG 25 HB3 ARG 25 25.558 -9.995 28.334 227 HB3 ARG 25 HB2 ARG 25 24.848 -11.596 28.550 228 HG2 ARG 25 HG3 ARG 25 25.181 -11.948 26.049 229 HG3 ARG 25 HG2 ARG 25 26.151 -10.477 26.060 230 HD2 ARG 25 HD3 ARG 25 27.456 -11.623 28.005 231 HD3 ARG 25 HD2 ARG 25 26.711 -13.109 27.413 232 HE ARG 25 HE ARG 25 28.190 -13.030 25.584 233 HH11 ARG 25 HH11 ARG 25 29.753 -12.038 24.284 234 HH12 ARG 25 HH12 ARG 25 30.113 -10.359 24.514 235 HH21 ARG 25 HH21 ARG 25 27.827 -9.951 27.091 236 HH22 ARG 25 HH22 ARG 25 29.024 -9.178 26.105
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