NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
571665 | 2mcx | 19457 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PHE 1 HT1 PHE 1 -14.805 5.949 0.795 2 H2 PHE 1 HT2 PHE 1 -13.413 5.462 1.640 3 H3 PHE 1 HT3 PHE 1 -14.952 5.002 2.194 4 HA PHE 1 HA PHE 1 -13.947 3.129 1.128 5 HB2 PHE 1 HB2 PHE 1 -16.098 4.476 -0.530 6 HB3 PHE 1 HB1 PHE 1 -15.631 2.784 -0.701 7 HD1 PHE 1 HD2 PHE 1 -15.997 1.185 1.171 8 HD2 PHE 1 HD1 PHE 1 -17.400 5.240 1.343 9 HE1 PHE 1 HE2 PHE 1 -17.485 0.590 3.063 10 HE2 PHE 1 HE1 PHE 1 -18.889 4.646 3.234 11 HZ PHE 1 HZ PHE 1 -18.931 2.320 4.094 12 H ILE 2 HN ILE 2 -14.047 6.026 -0.921 13 HA ILE 2 HA ILE 2 -12.642 4.960 -3.123 14 HB ILE 2 HB ILE 2 -12.957 7.796 -2.116 15 HG12 ILE 2 HG12 ILE 2 -14.453 7.913 -4.145 16 HG13 ILE 2 HG11 ILE 2 -14.226 6.178 -4.350 17 HG21 ILE 2 HG21 ILE 2 -11.568 6.702 -4.567 18 HG22 ILE 2 HG22 ILE 2 -10.958 7.872 -3.397 19 HG23 ILE 2 HG23 ILE 2 -12.227 8.339 -4.530 20 HD11 ILE 2 HD11 ILE 2 -16.314 7.067 -3.028 21 HD12 ILE 2 HD12 ILE 2 -15.172 7.238 -1.696 22 HD13 ILE 2 HD13 ILE 2 -15.444 5.657 -2.431 23 H HIS 3 HN HIS 3 -11.529 6.644 -0.197 24 HA HIS 3 HA HIS 3 -8.855 6.986 -0.852 25 HB2 HIS 3 HB2 HIS 3 -10.123 6.335 1.819 26 HB3 HIS 3 HB1 HIS 3 -8.441 6.830 1.624 27 HD2 HIS 3 HD2 HIS 3 -8.088 9.559 0.805 28 HE1 HIS 3 HE1 HIS 3 -12.144 10.640 1.263 29 HE2 HIS 3 HE2 HIS 3 -9.800 11.531 0.863 30 H HIS 4 HN HIS 4 -10.459 4.089 0.493 31 HA HIS 4 HA HIS 4 -8.313 2.515 1.045 32 HB2 HIS 4 HB2 HIS 4 -10.944 1.742 -0.219 33 HB3 HIS 4 HB1 HIS 4 -9.785 0.577 0.418 34 HD2 HIS 4 HD2 HIS 4 -9.816 0.309 3.207 35 HE1 HIS 4 HE1 HIS 4 -12.584 3.399 3.992 36 HE2 HIS 4 HE2 HIS 4 -11.280 1.481 5.025 37 H ILE 5 HN ILE 5 -9.706 3.037 -2.220 38 HA ILE 5 HA ILE 5 -8.139 1.093 -3.527 39 HB ILE 5 HB ILE 5 -9.448 3.645 -4.479 40 HG12 ILE 5 HG12 ILE 5 -11.011 2.009 -5.548 41 HG13 ILE 5 HG11 ILE 5 -10.137 0.701 -4.756 42 HG21 ILE 5 HG21 ILE 5 -9.130 2.554 -6.786 43 HG22 ILE 5 HG22 ILE 5 -7.901 1.551 -6.016 44 HG23 ILE 5 HG23 ILE 5 -7.709 3.303 -6.060 45 HD11 ILE 5 HD11 ILE 5 -11.223 2.977 -3.111 46 HD12 ILE 5 HD12 ILE 5 -10.891 1.313 -2.628 47 HD13 ILE 5 HD13 ILE 5 -12.294 1.678 -3.629 48 H PHE 6 HN PHE 6 -7.620 4.585 -3.025 49 HA PHE 6 HA PHE 6 -5.108 4.668 -4.369 50 HB2 PHE 6 HB2 PHE 6 -6.580 6.653 -3.922 51 HB3 PHE 6 HB1 PHE 6 -6.110 6.554 -2.226 52 HD1 PHE 6 HD2 PHE 6 -4.787 6.968 -5.682 53 HD2 PHE 6 HD1 PHE 6 -4.010 7.400 -1.479 54 HE1 PHE 6 HE2 PHE 6 -2.704 8.213 -6.194 55 HE2 PHE 6 HE1 PHE 6 -1.927 8.644 -1.993 56 HZ PHE 6 HZ PHE 6 -1.274 9.051 -4.350 57 H ARG 7 HN ARG 7 -6.068 4.345 -0.993 58 HA ARG 7 HA ARG 7 -3.493 4.433 0.155 59 HB2 ARG 7 HB2 ARG 7 -6.075 3.190 1.100 60 HB3 ARG 7 HB1 ARG 7 -4.608 3.229 2.078 61 HG2 ARG 7 HG2 ARG 7 -4.550 5.682 1.927 62 HG3 ARG 7 HG1 ARG 7 -5.993 5.663 0.915 63 HD2 ARG 7 HD2 ARG 7 -7.273 4.620 2.742 64 HD3 ARG 7 HD1 ARG 7 -5.833 4.619 3.756 65 HE ARG 7 HE ARG 7 -6.232 7.254 2.931 66 HH11 ARG 7 HH21 ARG 7 -7.874 4.795 4.728 67 HH12 ARG 7 HH22 ARG 7 -8.705 5.910 5.761 68 HH21 ARG 7 HH11 ARG 7 -7.318 8.722 4.282 69 HH22 ARG 7 HH12 ARG 7 -8.390 8.134 5.507 70 H GLY 8 HN GLY 8 -5.361 1.779 -1.234 71 HA2 GLY 8 HA2 GLY 8 -3.734 -0.338 -0.248 72 HA3 GLY 8 HA1 GLY 8 -4.843 -0.426 -1.613 73 H ILE 9 HN ILE 9 -3.615 1.686 -3.145 74 HA ILE 9 HA ILE 9 -1.704 0.185 -4.591 75 HB ILE 9 HB ILE 9 -2.345 3.139 -4.621 76 HG12 ILE 9 HG12 ILE 9 -3.036 0.952 -6.602 77 HG13 ILE 9 HG11 ILE 9 -4.113 1.438 -5.294 78 HG21 ILE 9 HG21 ILE 9 -0.502 1.468 -6.338 79 HG22 ILE 9 HG22 ILE 9 -0.160 3.003 -5.539 80 HG23 ILE 9 HG23 ILE 9 -1.228 2.957 -6.940 81 HD11 ILE 9 HD11 ILE 9 -3.928 3.818 -6.187 82 HD12 ILE 9 HD12 ILE 9 -4.796 2.686 -7.223 83 HD13 ILE 9 HD13 ILE 9 -3.132 3.131 -7.602 84 H VAL 10 HN VAL 10 -1.274 2.991 -2.428 85 HA VAL 10 HA VAL 10 1.562 3.004 -2.603 86 HB VAL 10 HB VAL 10 0.410 4.998 -1.885 87 HG11 VAL 10 HG11 VAL 10 -1.509 3.794 -0.841 88 HG12 VAL 10 HG12 VAL 10 -0.880 5.090 0.173 89 HG13 VAL 10 HG13 VAL 10 -0.481 3.411 0.538 90 HG21 VAL 10 HG21 VAL 10 1.786 3.942 0.593 91 HG22 VAL 10 HG22 VAL 10 1.776 5.591 -0.032 92 HG23 VAL 10 HG23 VAL 10 2.690 4.337 -0.868 93 H HIS 11 HN HIS 11 -0.707 1.497 -0.343 94 HA HIS 11 HA HIS 11 1.237 0.556 1.498 95 HB2 HIS 11 HB2 HIS 11 -1.163 0.682 2.040 96 HB3 HIS 11 HB1 HIS 11 -1.495 -0.577 0.849 97 HD2 HIS 11 HD2 HIS 11 -1.360 -3.120 1.918 98 HE1 HIS 11 HE1 HIS 11 0.926 -2.207 5.349 99 HE2 HIS 11 HE2 HIS 11 -0.316 -4.052 4.122 100 H ALA 12 HN ALA 12 -0.353 -0.975 -1.291 101 HA ALA 12 HA ALA 12 0.868 -3.499 -1.077 102 HB1 ALA 12 HB1 ALA 12 -0.202 -1.984 -3.463 103 HB2 ALA 12 HB2 ALA 12 -1.017 -3.242 -2.534 104 HB3 ALA 12 HB3 ALA 12 0.366 -3.651 -3.550 105 H GLY 13 HN GLY 13 2.071 -0.451 -2.196 106 HA2 GLY 13 HA2 GLY 13 4.277 -1.521 -3.726 107 HA3 GLY 13 HA1 GLY 13 4.059 0.159 -3.242 108 H ARG 14 HN ARG 14 3.835 -0.081 -0.542 109 HA ARG 14 HA ARG 14 6.501 -0.127 0.328 110 HB2 ARG 14 HB2 ARG 14 4.678 1.078 1.508 111 HB3 ARG 14 HB1 ARG 14 4.026 -0.474 2.037 112 HG2 ARG 14 HG2 ARG 14 6.090 -0.980 3.240 113 HG3 ARG 14 HG1 ARG 14 6.831 0.505 2.640 114 HD2 ARG 14 HD2 ARG 14 4.326 0.421 4.345 115 HD3 ARG 14 HD1 ARG 14 5.946 0.705 4.976 116 HE ARG 14 HE ARG 14 5.593 2.563 2.950 117 HH11 ARG 14 HH21 ARG 14 4.058 1.676 5.922 118 HH12 ARG 14 HH22 ARG 14 3.495 3.277 6.270 119 HH21 ARG 14 HH11 ARG 14 4.859 4.665 3.400 120 HH22 ARG 14 HH12 ARG 14 3.950 4.969 4.843 121 H SER 15 HN SER 15 3.975 -2.608 0.532 122 HA SER 15 HA SER 15 5.418 -4.461 2.114 123 HB2 SER 15 HB2 SER 15 3.269 -4.941 0.038 124 HB3 SER 15 HB1 SER 15 3.838 -6.137 1.200 125 HG SER 15 HG SER 15 2.589 -3.642 1.731 126 H ILE 16 HN ILE 16 5.145 -4.016 -1.375 127 HA ILE 16 HA ILE 16 6.716 -6.247 -2.147 128 HB ILE 16 HB ILE 16 6.139 -3.638 -3.569 129 HG12 ILE 16 HG12 ILE 16 5.092 -6.427 -4.107 130 HG13 ILE 16 HG11 ILE 16 4.265 -5.296 -3.040 131 HG21 ILE 16 HG21 ILE 16 7.608 -6.128 -4.461 132 HG22 ILE 16 HG22 ILE 16 8.148 -4.452 -4.568 133 HG23 ILE 16 HG23 ILE 16 6.848 -5.028 -5.612 134 HD11 ILE 16 HD11 ILE 16 5.023 -4.623 -5.892 135 HD12 ILE 16 HD12 ILE 16 3.954 -3.714 -4.824 136 HD13 ILE 16 HD13 ILE 16 3.450 -5.285 -5.445 137 H GLY 17 HN GLY 17 7.542 -2.852 -1.547 138 HA2 GLY 17 HA2 GLY 17 10.282 -3.033 -2.235 139 HA3 GLY 17 HA1 GLY 17 9.561 -1.802 -1.203 140 H ARG 18 HN ARG 18 8.502 -3.680 0.721 141 HA ARG 18 HA ARG 18 10.668 -3.809 2.521 142 HB2 ARG 18 HB2 ARG 18 8.282 -3.784 3.211 143 HB3 ARG 18 HB1 ARG 18 8.107 -5.425 2.588 144 HG2 ARG 18 HG2 ARG 18 9.820 -6.226 4.160 145 HG3 ARG 18 HG1 ARG 18 10.048 -4.585 4.763 146 HD2 ARG 18 HD2 ARG 18 7.624 -4.556 5.414 147 HD3 ARG 18 HD1 ARG 18 7.528 -6.254 4.956 148 HE ARG 18 HE ARG 18 9.651 -6.048 6.739 149 HH11 ARG 18 HH21 ARG 18 6.248 -5.426 6.676 150 HH12 ARG 18 HH22 ARG 18 6.017 -5.758 8.361 151 HH21 ARG 18 HH11 ARG 18 9.355 -6.485 8.948 152 HH22 ARG 18 HH12 ARG 18 7.775 -6.357 9.647 153 H PHE 19 HN PHE 19 9.149 -6.330 0.515 154 HA PHE 19 HA PHE 19 10.806 -8.456 1.406 155 HB2 PHE 19 HB2 PHE 19 9.191 -8.067 -1.118 156 HB3 PHE 19 HB1 PHE 19 10.067 -9.552 -0.753 157 HD1 PHE 19 HD2 PHE 19 9.663 -10.501 1.701 158 HD2 PHE 19 HD1 PHE 19 6.962 -7.911 -0.408 159 HE1 PHE 19 HE2 PHE 19 7.799 -11.268 3.146 160 HE2 PHE 19 HE1 PHE 19 5.099 -8.676 1.037 161 HZ PHE 19 HZ PHE 19 5.517 -10.356 2.814 162 H LEU 20 HN LEU 20 11.100 -6.077 -1.174 163 HA LEU 20 HA LEU 20 13.254 -7.249 -2.556 164 HB2 LEU 20 HB2 LEU 20 11.703 -5.116 -3.052 165 HB3 LEU 20 HB1 LEU 20 13.075 -4.261 -2.359 166 HG LEU 20 HG LEU 20 13.400 -4.384 -4.755 167 HD11 LEU 20 HD11 LEU 20 15.198 -6.549 -3.679 168 HD12 LEU 20 HD12 LEU 20 15.337 -4.887 -3.100 169 HD13 LEU 20 HD13 LEU 20 15.586 -5.251 -4.805 170 HD21 LEU 20 HD21 LEU 20 12.895 -6.188 -6.058 171 HD22 LEU 20 HD22 LEU 20 11.977 -6.751 -4.667 172 HD23 LEU 20 HD23 LEU 20 13.615 -7.340 -4.937 173 H THR 21 HN THR 21 13.141 -5.059 0.225 174 HA THR 21 HA THR 21 15.905 -4.534 0.416 175 HB THR 21 HB THR 21 13.975 -4.735 2.735 176 HG1 THR 21 HG1 THR 21 14.491 -2.456 1.149 177 HG21 THR 21 HG21 THR 21 16.309 -2.864 2.283 178 HG22 THR 21 HG22 THR 21 16.467 -4.402 3.130 179 HG23 THR 21 HG23 THR 21 15.423 -3.140 3.783 180 H GLY 22 HN GLY 22 13.887 -7.052 1.916 181 HA2 GLY 22 HA2 GLY 22 14.438 -9.136 2.731 182 HA3 GLY 22 HA1 GLY 22 15.986 -8.974 1.909 183 HN1 NH2 23 HT1 GLY 22 16.509 -6.739 5.202 184 HN2 NH2 23 HT2 GLY 22 15.688 -6.225 3.766 Start of MODEL 2 1 H1 PHE 1 HT1 PHE 1 -14.908 5.284 1.997 2 H2 PHE 1 HT2 PHE 1 -13.932 6.050 0.837 3 H3 PHE 1 HT3 PHE 1 -13.218 5.178 2.107 4 HA PHE 1 HA PHE 1 -13.693 3.146 1.201 5 HB2 PHE 1 HB2 PHE 1 -15.812 4.512 -0.489 6 HB3 PHE 1 HB1 PHE 1 -15.516 2.776 -0.380 7 HD1 PHE 1 HD1 PHE 1 -16.768 5.749 1.412 8 HD2 PHE 1 HD2 PHE 1 -16.197 1.494 1.570 9 HE1 PHE 1 HE1 PHE 1 -18.255 5.623 3.394 10 HE2 PHE 1 HE2 PHE 1 -17.684 1.368 3.550 11 HZ PHE 1 HZ PHE 1 -18.713 3.431 4.462 12 H ILE 2 HN ILE 2 -13.931 5.988 -0.925 13 HA ILE 2 HA ILE 2 -12.576 4.856 -3.140 14 HB ILE 2 HB ILE 2 -12.677 7.780 -2.360 15 HG12 ILE 2 HG12 ILE 2 -14.944 6.906 -2.311 16 HG13 ILE 2 HG11 ILE 2 -14.737 7.822 -3.801 17 HG21 ILE 2 HG21 ILE 2 -12.432 6.359 -5.027 18 HG22 ILE 2 HG22 ILE 2 -11.139 7.226 -4.200 19 HG23 ILE 2 HG23 ILE 2 -12.540 8.107 -4.810 20 HD11 ILE 2 HD11 ILE 2 -15.826 5.847 -4.494 21 HD12 ILE 2 HD12 ILE 2 -14.845 4.830 -3.443 22 HD13 ILE 2 HD13 ILE 2 -14.135 5.551 -4.890 23 H HIS 3 HN HIS 3 -11.452 6.733 -0.351 24 HA HIS 3 HA HIS 3 -8.801 7.126 -1.110 25 HB2 HIS 3 HB2 HIS 3 -10.065 6.671 1.599 26 HB3 HIS 3 HB1 HIS 3 -8.348 7.029 1.415 27 HD2 HIS 3 HD2 HIS 3 -8.126 9.509 -0.449 28 HE1 HIS 3 HE1 HIS 3 -11.482 11.203 1.475 29 HE2 HIS 3 HE2 HIS 3 -9.498 11.692 -0.033 30 H HIS 4 HN HIS 4 -10.300 4.279 0.441 31 HA HIS 4 HA HIS 4 -8.110 2.758 0.990 32 HB2 HIS 4 HB2 HIS 4 -10.680 1.777 -0.262 33 HB3 HIS 4 HB1 HIS 4 -9.542 0.800 0.665 34 HD2 HIS 4 HD2 HIS 4 -9.369 3.686 2.808 35 HE1 HIS 4 HE1 HIS 4 -13.103 2.058 3.918 36 HE2 HIS 4 HE2 HIS 4 -11.272 3.682 4.596 37 H ILE 5 HN ILE 5 -9.617 3.192 -2.235 38 HA ILE 5 HA ILE 5 -8.164 1.200 -3.582 39 HB ILE 5 HB ILE 5 -9.096 3.856 -4.684 40 HG12 ILE 5 HG12 ILE 5 -10.943 2.861 -3.464 41 HG13 ILE 5 HG11 ILE 5 -11.225 2.617 -5.185 42 HG21 ILE 5 HG21 ILE 5 -9.329 2.598 -6.775 43 HG22 ILE 5 HG22 ILE 5 -8.817 1.120 -5.961 44 HG23 ILE 5 HG23 ILE 5 -7.677 2.450 -6.173 45 HD11 ILE 5 HD11 ILE 5 -11.696 0.509 -4.260 46 HD12 ILE 5 HD12 ILE 5 -10.363 0.611 -3.113 47 HD13 ILE 5 HD13 ILE 5 -10.037 0.324 -4.824 48 H PHE 6 HN PHE 6 -7.502 4.679 -3.132 49 HA PHE 6 HA PHE 6 -5.012 4.617 -4.528 50 HB2 PHE 6 HB2 PHE 6 -6.262 6.580 -2.606 51 HB3 PHE 6 HB1 PHE 6 -4.665 6.836 -3.308 52 HD1 PHE 6 HD2 PHE 6 -4.383 7.190 -5.719 53 HD2 PHE 6 HD1 PHE 6 -8.277 6.687 -3.977 54 HE1 PHE 6 HE2 PHE 6 -5.425 8.047 -7.800 55 HE2 PHE 6 HE1 PHE 6 -9.319 7.544 -6.058 56 HZ PHE 6 HZ PHE 6 -7.893 8.224 -7.969 57 H ARG 7 HN ARG 7 -5.927 4.498 -1.110 58 HA ARG 7 HA ARG 7 -3.322 4.476 -0.030 59 HB2 ARG 7 HB2 ARG 7 -5.398 4.883 1.299 60 HB3 ARG 7 HB1 ARG 7 -5.794 3.173 1.129 61 HG2 ARG 7 HG2 ARG 7 -3.655 2.573 2.234 62 HG3 ARG 7 HG1 ARG 7 -3.293 4.287 2.428 63 HD2 ARG 7 HD2 ARG 7 -4.252 3.374 4.494 64 HD3 ARG 7 HD1 ARG 7 -5.335 4.568 3.783 65 HE ARG 7 HE ARG 7 -6.854 2.851 3.289 66 HH11 ARG 7 HH21 ARG 7 -3.831 1.624 4.444 67 HH12 ARG 7 HH22 ARG 7 -4.421 0.011 4.675 68 HH21 ARG 7 HH11 ARG 7 -7.630 0.742 3.589 69 HH22 ARG 7 HH12 ARG 7 -6.570 -0.489 4.191 70 H GLY 8 HN GLY 8 -5.398 1.899 -1.257 71 HA2 GLY 8 HA2 GLY 8 -3.981 -0.325 -0.269 72 HA3 GLY 8 HA1 GLY 8 -4.991 -0.309 -1.711 73 H ILE 9 HN ILE 9 -3.490 1.745 -3.064 74 HA ILE 9 HA ILE 9 -1.569 0.119 -4.393 75 HB ILE 9 HB ILE 9 -2.072 3.101 -4.503 76 HG12 ILE 9 HG12 ILE 9 -2.704 0.911 -6.501 77 HG13 ILE 9 HG11 ILE 9 -3.860 1.486 -5.299 78 HG21 ILE 9 HG21 ILE 9 -0.182 1.312 -6.043 79 HG22 ILE 9 HG22 ILE 9 0.177 2.834 -5.229 80 HG23 ILE 9 HG23 ILE 9 -0.772 2.831 -6.715 81 HD11 ILE 9 HD11 ILE 9 -2.526 3.172 -7.437 82 HD12 ILE 9 HD12 ILE 9 -3.620 3.789 -6.201 83 HD13 ILE 9 HD13 ILE 9 -4.214 2.662 -7.420 84 H VAL 10 HN VAL 10 -1.300 2.771 -2.055 85 HA VAL 10 HA VAL 10 1.520 2.914 -2.021 86 HB VAL 10 HB VAL 10 -0.514 3.624 0.103 87 HG11 VAL 10 HG11 VAL 10 2.466 4.088 -0.100 88 HG12 VAL 10 HG12 VAL 10 1.555 3.409 1.249 89 HG13 VAL 10 HG13 VAL 10 1.428 5.129 0.875 90 HG21 VAL 10 HG21 VAL 10 0.997 5.335 -1.901 91 HG22 VAL 10 HG22 VAL 10 -0.205 5.901 -0.742 92 HG23 VAL 10 HG23 VAL 10 -0.689 4.845 -2.068 93 H HIS 11 HN HIS 11 -0.777 1.112 -0.002 94 HA HIS 11 HA HIS 11 1.186 -0.038 1.706 95 HB2 HIS 11 HB2 HIS 11 -1.680 -0.712 1.063 96 HB3 HIS 11 HB1 HIS 11 -0.719 -1.741 2.125 97 HD2 HIS 11 HD2 HIS 11 -0.640 -0.851 4.739 98 HE1 HIS 11 HE1 HIS 11 -1.963 3.101 4.063 99 HE2 HIS 11 HE2 HIS 11 -1.315 1.415 5.848 100 H ALA 12 HN ALA 12 -0.470 -1.223 -1.213 101 HA ALA 12 HA ALA 12 0.657 -3.796 -1.266 102 HB1 ALA 12 HB1 ALA 12 -1.246 -3.033 -2.687 103 HB2 ALA 12 HB2 ALA 12 0.025 -3.839 -3.607 104 HB3 ALA 12 HB3 ALA 12 -0.106 -2.081 -3.638 105 H GLY 13 HN GLY 13 1.939 -0.680 -2.158 106 HA2 GLY 13 HA2 GLY 13 4.193 -1.760 -3.638 107 HA3 GLY 13 HA1 GLY 13 3.930 -0.070 -3.220 108 H ARG 14 HN ARG 14 3.535 -0.427 -0.452 109 HA ARG 14 HA ARG 14 6.159 -0.240 0.517 110 HB2 ARG 14 HB2 ARG 14 4.074 0.650 1.655 111 HB3 ARG 14 HB1 ARG 14 3.747 -1.001 2.172 112 HG2 ARG 14 HG2 ARG 14 4.935 -0.224 4.016 113 HG3 ARG 14 HG1 ARG 14 6.253 -0.890 3.059 114 HD2 ARG 14 HD2 ARG 14 6.804 1.365 3.891 115 HD3 ARG 14 HD1 ARG 14 6.724 1.340 2.131 116 HE ARG 14 HE ARG 14 4.201 2.059 3.274 117 HH11 ARG 14 HH21 ARG 14 7.391 3.196 2.561 118 HH12 ARG 14 HH22 ARG 14 6.916 4.853 2.409 119 HH21 ARG 14 HH11 ARG 14 3.571 4.231 3.074 120 HH22 ARG 14 HH12 ARG 14 4.753 5.441 2.698 121 H SER 15 HN SER 15 3.887 -2.964 0.524 122 HA SER 15 HA SER 15 5.471 -4.740 2.058 123 HB2 SER 15 HB2 SER 15 3.455 -5.397 -0.102 124 HB3 SER 15 HB1 SER 15 4.050 -6.499 1.136 125 HG SER 15 HG SER 15 2.833 -4.018 1.750 126 H ILE 16 HN ILE 16 5.201 -4.182 -1.425 127 HA ILE 16 HA ILE 16 6.978 -6.231 -2.240 128 HB ILE 16 HB ILE 16 6.214 -3.625 -3.583 129 HG12 ILE 16 HG12 ILE 16 5.359 -6.471 -4.184 130 HG13 ILE 16 HG11 ILE 16 4.438 -5.391 -3.135 131 HG21 ILE 16 HG21 ILE 16 8.296 -4.290 -4.561 132 HG22 ILE 16 HG22 ILE 16 7.045 -4.877 -5.655 133 HG23 ILE 16 HG23 ILE 16 7.838 -5.993 -4.543 134 HD11 ILE 16 HD11 ILE 16 3.616 -5.367 -5.493 135 HD12 ILE 16 HD12 ILE 16 5.192 -4.766 -6.004 136 HD13 ILE 16 HD13 ILE 16 4.173 -3.784 -4.950 137 H GLY 17 HN GLY 17 7.489 -2.784 -1.537 138 HA2 GLY 17 HA2 GLY 17 10.236 -2.700 -2.188 139 HA3 GLY 17 HA1 GLY 17 9.403 -1.577 -1.119 140 H ARG 18 HN ARG 18 8.516 -3.550 0.766 141 HA ARG 18 HA ARG 18 10.783 -3.627 2.481 142 HB2 ARG 18 HB2 ARG 18 8.447 -3.537 3.310 143 HB3 ARG 18 HB1 ARG 18 8.192 -5.178 2.715 144 HG2 ARG 18 HG2 ARG 18 10.004 -5.993 4.188 145 HG3 ARG 18 HG1 ARG 18 10.251 -4.352 4.786 146 HD2 ARG 18 HD2 ARG 18 7.856 -4.339 5.542 147 HD3 ARG 18 HD1 ARG 18 7.753 -6.038 5.088 148 HE ARG 18 HE ARG 18 8.973 -4.991 7.454 149 HH11 ARG 18 HH21 ARG 18 9.188 -7.445 5.026 150 HH12 ARG 18 HH22 ARG 18 9.994 -8.585 6.052 151 HH21 ARG 18 HH11 ARG 18 10.027 -6.480 8.806 152 HH22 ARG 18 HH12 ARG 18 10.468 -8.038 8.193 153 H PHE 19 HN PHE 19 9.124 -6.090 0.546 154 HA PHE 19 HA PHE 19 10.715 -8.286 1.361 155 HB2 PHE 19 HB2 PHE 19 8.535 -8.556 0.243 156 HB3 PHE 19 HB1 PHE 19 9.214 -7.882 -1.238 157 HD1 PHE 19 HD2 PHE 19 9.657 -10.642 1.241 158 HD2 PHE 19 HD1 PHE 19 10.379 -9.265 -2.763 159 HE1 PHE 19 HE2 PHE 19 10.522 -12.883 0.627 160 HE2 PHE 19 HE1 PHE 19 11.244 -11.507 -3.379 161 HZ PHE 19 HZ PHE 19 11.315 -13.315 -1.683 162 H LEU 20 HN LEU 20 10.998 -5.953 -1.279 163 HA LEU 20 HA LEU 20 13.120 -7.201 -2.639 164 HB2 LEU 20 HB2 LEU 20 11.592 -5.078 -3.229 165 HB3 LEU 20 HB1 LEU 20 12.970 -4.207 -2.572 166 HG LEU 20 HG LEU 20 13.306 -4.407 -4.953 167 HD11 LEU 20 HD11 LEU 20 15.240 -4.893 -3.309 168 HD12 LEU 20 HD12 LEU 20 15.468 -5.348 -4.995 169 HD13 LEU 20 HD13 LEU 20 15.053 -6.578 -3.808 170 HD21 LEU 20 HD21 LEU 20 13.337 -7.409 -4.898 171 HD22 LEU 20 HD22 LEU 20 12.965 -6.313 -6.223 172 HD23 LEU 20 HD23 LEU 20 11.773 -6.593 -4.961 173 H THR 21 HN THR 21 13.070 -4.905 0.058 174 HA THR 21 HA THR 21 15.848 -4.420 0.176 175 HB THR 21 HB THR 21 13.921 -4.448 2.504 176 HG1 THR 21 HG1 THR 21 14.555 -2.195 0.960 177 HG21 THR 21 HG21 THR 21 16.270 -4.223 3.134 178 HG22 THR 21 HG22 THR 21 15.449 -2.677 3.345 179 HG23 THR 21 HG23 THR 21 16.489 -2.938 1.945 180 H GLY 22 HN GLY 22 13.818 -6.792 1.897 181 HA2 GLY 22 HA2 GLY 22 15.607 -7.989 3.565 182 HA3 GLY 22 HA1 GLY 22 14.369 -8.893 2.700 183 HN1 NH2 23 HT1 GLY 22 17.367 -8.734 0.033 184 HN2 NH2 23 HT2 GLY 22 16.231 -7.462 0.336 Start of MODEL 3 1 H1 PHE 1 HT1 PHE 1 -14.828 4.946 0.040 2 H2 PHE 1 HT2 PHE 1 -13.571 4.604 1.130 3 H3 PHE 1 HT3 PHE 1 -14.976 3.648 1.120 4 HA PHE 1 HA PHE 1 -13.124 2.517 0.036 5 HB2 PHE 1 HB2 PHE 1 -15.505 3.382 -1.612 6 HB3 PHE 1 HB1 PHE 1 -14.342 2.202 -2.213 7 HD1 PHE 1 HD2 PHE 1 -13.834 0.159 -0.723 8 HD2 PHE 1 HD1 PHE 1 -17.248 2.704 -0.162 9 HE1 PHE 1 HE2 PHE 1 -14.950 -1.628 0.586 10 HE2 PHE 1 HE1 PHE 1 -18.364 0.918 1.147 11 HZ PHE 1 HZ PHE 1 -17.216 -1.247 1.521 12 H ILE 2 HN ILE 2 -13.958 5.680 -1.287 13 HA ILE 2 HA ILE 2 -12.325 5.815 -3.504 14 HB ILE 2 HB ILE 2 -13.890 7.596 -2.725 15 HG12 ILE 2 HG12 ILE 2 -11.075 8.644 -3.132 16 HG13 ILE 2 HG11 ILE 2 -12.040 7.957 -4.438 17 HG21 ILE 2 HG21 ILE 2 -11.629 8.462 -0.915 18 HG22 ILE 2 HG22 ILE 2 -12.979 7.487 -0.334 19 HG23 ILE 2 HG23 ILE 2 -13.272 9.101 -0.982 20 HD11 ILE 2 HD11 ILE 2 -12.638 10.426 -2.796 21 HD12 ILE 2 HD12 ILE 2 -13.850 9.650 -3.815 22 HD13 ILE 2 HD13 ILE 2 -12.391 10.323 -4.538 23 H HIS 3 HN HIS 3 -11.414 6.309 -0.084 24 HA HIS 3 HA HIS 3 -8.685 6.934 -0.702 25 HB2 HIS 3 HB2 HIS 3 -8.347 6.868 1.690 26 HB3 HIS 3 HB1 HIS 3 -9.877 7.682 1.361 27 HD2 HIS 3 HD2 HIS 3 -12.174 6.305 2.262 28 HE1 HIS 3 HE1 HIS 3 -10.125 3.034 3.975 29 HE2 HIS 3 HE2 HIS 3 -12.388 4.163 3.743 30 H HIS 4 HN HIS 4 -10.353 4.027 0.546 31 HA HIS 4 HA HIS 4 -8.280 2.350 1.012 32 HB2 HIS 4 HB2 HIS 4 -10.665 1.765 1.302 33 HB3 HIS 4 HB1 HIS 4 -10.811 1.590 -0.448 34 HD2 HIS 4 HD2 HIS 4 -9.901 -0.857 -1.454 35 HE1 HIS 4 HE1 HIS 4 -8.269 -2.335 2.149 36 HE2 HIS 4 HE2 HIS 4 -8.822 -2.914 -0.261 37 H ILE 5 HN ILE 5 -9.835 2.612 -2.253 38 HA ILE 5 HA ILE 5 -8.120 0.849 -3.573 39 HB ILE 5 HB ILE 5 -10.164 1.617 -4.602 40 HG12 ILE 5 HG12 ILE 5 -7.901 2.850 -6.195 41 HG13 ILE 5 HG11 ILE 5 -8.116 1.106 -6.052 42 HG21 ILE 5 HG21 ILE 5 -9.983 3.926 -3.507 43 HG22 ILE 5 HG22 ILE 5 -10.619 3.891 -5.146 44 HG23 ILE 5 HG23 ILE 5 -8.947 4.372 -4.858 45 HD11 ILE 5 HD11 ILE 5 -10.436 2.828 -6.912 46 HD12 ILE 5 HD12 ILE 5 -10.129 1.124 -7.250 47 HD13 ILE 5 HD13 ILE 5 -9.198 2.369 -8.083 48 H PHE 6 HN PHE 6 -7.823 4.400 -3.224 49 HA PHE 6 HA PHE 6 -5.381 4.564 -4.691 50 HB2 PHE 6 HB2 PHE 6 -6.995 6.389 -2.955 51 HB3 PHE 6 HB1 PHE 6 -5.311 6.829 -3.234 52 HD1 PHE 6 HD1 PHE 6 -4.551 6.480 -5.799 53 HD2 PHE 6 HD2 PHE 6 -8.569 7.235 -4.474 54 HE1 PHE 6 HE1 PHE 6 -5.131 7.347 -8.049 55 HE2 PHE 6 HE2 PHE 6 -9.147 8.101 -6.725 56 HZ PHE 6 HZ PHE 6 -7.429 8.157 -8.513 57 H ARG 7 HN ARG 7 -6.104 4.463 -1.229 58 HA ARG 7 HA ARG 7 -3.438 4.695 -0.325 59 HB2 ARG 7 HB2 ARG 7 -5.908 3.527 0.960 60 HB3 ARG 7 HB1 ARG 7 -4.360 3.661 1.795 61 HG2 ARG 7 HG2 ARG 7 -4.347 6.085 1.449 62 HG3 ARG 7 HG1 ARG 7 -5.852 5.980 0.534 63 HD2 ARG 7 HD2 ARG 7 -6.327 6.666 2.835 64 HD3 ARG 7 HD1 ARG 7 -6.985 5.059 2.540 65 HE ARG 7 HE ARG 7 -4.385 4.772 3.582 66 HH11 ARG 7 HH21 ARG 7 -7.532 5.906 4.473 67 HH12 ARG 7 HH22 ARG 7 -7.344 5.525 6.153 68 HH21 ARG 7 HH11 ARG 7 -4.133 4.270 5.783 69 HH22 ARG 7 HH12 ARG 7 -5.421 4.600 6.893 70 H GLY 8 HN GLY 8 -5.387 1.921 -1.298 71 HA2 GLY 8 HA2 GLY 8 -3.857 -0.167 -0.243 72 HA3 GLY 8 HA1 GLY 8 -4.831 -0.261 -1.707 73 H ILE 9 HN ILE 9 -3.370 1.831 -3.091 74 HA ILE 9 HA ILE 9 -1.393 0.258 -4.371 75 HB ILE 9 HB ILE 9 -1.629 3.273 -4.424 76 HG12 ILE 9 HG12 ILE 9 -3.806 2.305 -4.925 77 HG13 ILE 9 HG11 ILE 9 -3.083 2.873 -6.425 78 HG21 ILE 9 HG21 ILE 9 0.430 2.342 -5.431 79 HG22 ILE 9 HG22 ILE 9 -0.633 3.015 -6.667 80 HG23 ILE 9 HG23 ILE 9 -0.554 1.270 -6.428 81 HD11 ILE 9 HD11 ILE 9 -3.451 0.045 -5.451 82 HD12 ILE 9 HD12 ILE 9 -2.179 0.409 -6.611 83 HD13 ILE 9 HD13 ILE 9 -3.860 0.739 -7.018 84 H VAL 10 HN VAL 10 -1.143 2.897 -1.989 85 HA VAL 10 HA VAL 10 1.685 2.989 -1.916 86 HB VAL 10 HB VAL 10 -0.354 3.708 0.201 87 HG11 VAL 10 HG11 VAL 10 2.616 4.223 -0.044 88 HG12 VAL 10 HG12 VAL 10 1.759 3.463 1.296 89 HG13 VAL 10 HG13 VAL 10 1.568 5.190 0.994 90 HG21 VAL 10 HG21 VAL 10 -0.454 4.890 -2.051 91 HG22 VAL 10 HG22 VAL 10 1.165 5.500 -1.711 92 HG23 VAL 10 HG23 VAL 10 -0.181 5.943 -0.664 93 H HIS 11 HN HIS 11 -0.679 1.272 0.117 94 HA HIS 11 HA HIS 11 1.240 0.051 1.819 95 HB2 HIS 11 HB2 HIS 11 -1.632 -0.580 1.140 96 HB3 HIS 11 HB1 HIS 11 -0.702 -1.586 2.250 97 HD2 HIS 11 HD2 HIS 11 -2.395 1.942 2.182 98 HE1 HIS 11 HE1 HIS 11 -0.654 1.422 5.991 99 HE2 HIS 11 HE2 HIS 11 -2.166 2.910 4.595 100 H ALA 12 HN ALA 12 -0.490 -1.138 -1.062 101 HA ALA 12 HA ALA 12 0.614 -3.716 -1.118 102 HB1 ALA 12 HB1 ALA 12 0.074 -3.617 -3.581 103 HB2 ALA 12 HB2 ALA 12 -0.384 -1.932 -3.344 104 HB3 ALA 12 HB3 ALA 12 -1.272 -3.210 -2.517 105 H GLY 13 HN GLY 13 1.880 -0.628 -2.174 106 HA2 GLY 13 HA2 GLY 13 4.101 -1.788 -3.643 107 HA3 GLY 13 HA1 GLY 13 3.842 -0.077 -3.317 108 H ARG 14 HN ARG 14 3.513 -0.334 -0.503 109 HA ARG 14 HA ARG 14 6.189 -0.103 0.358 110 HB2 ARG 14 HB2 ARG 14 4.275 0.966 1.518 111 HB3 ARG 14 HB1 ARG 14 3.742 -0.625 2.064 112 HG2 ARG 14 HG2 ARG 14 5.846 -0.947 3.277 113 HG3 ARG 14 HG1 ARG 14 6.448 0.600 2.682 114 HD2 ARG 14 HD2 ARG 14 5.604 0.935 4.926 115 HD3 ARG 14 HD1 ARG 14 4.498 1.716 3.801 116 HE ARG 14 HE ARG 14 3.662 -0.955 4.322 117 HH11 ARG 14 HH21 ARG 14 3.859 2.216 5.689 118 HH12 ARG 14 HH22 ARG 14 2.490 2.002 6.730 119 HH21 ARG 14 HH11 ARG 14 1.866 -1.243 5.683 120 HH22 ARG 14 HH12 ARG 14 1.361 0.044 6.726 121 H SER 15 HN SER 15 3.855 -2.761 0.644 122 HA SER 15 HA SER 15 5.490 -4.465 2.217 123 HB2 SER 15 HB2 SER 15 3.956 -6.251 1.464 124 HB3 SER 15 HB1 SER 15 3.084 -4.822 2.011 125 HG SER 15 HG SER 15 2.547 -4.355 -0.021 126 H ILE 16 HN ILE 16 5.025 -4.139 -1.276 127 HA ILE 16 HA ILE 16 6.663 -6.321 -2.044 128 HB ILE 16 HB ILE 16 5.897 -3.789 -3.516 129 HG12 ILE 16 HG12 ILE 16 4.946 -6.641 -3.893 130 HG13 ILE 16 HG11 ILE 16 4.119 -5.490 -2.845 131 HG21 ILE 16 HG21 ILE 16 7.893 -4.558 -4.576 132 HG22 ILE 16 HG22 ILE 16 6.568 -5.201 -5.547 133 HG23 ILE 16 HG23 ILE 16 7.418 -6.247 -4.410 134 HD11 ILE 16 HD11 ILE 16 4.661 -5.108 -5.805 135 HD12 ILE 16 HD12 ILE 16 3.843 -3.949 -4.757 136 HD13 ILE 16 HD13 ILE 16 3.099 -5.513 -5.089 137 H GLY 17 HN GLY 17 7.347 -2.867 -1.609 138 HA2 GLY 17 HA2 GLY 17 10.045 -2.929 -2.436 139 HA3 GLY 17 HA1 GLY 17 9.325 -1.711 -1.387 140 H ARG 18 HN ARG 18 8.493 -3.588 0.651 141 HA ARG 18 HA ARG 18 10.797 -3.574 2.284 142 HB2 ARG 18 HB2 ARG 18 8.393 -3.632 3.075 143 HB3 ARG 18 HB1 ARG 18 8.370 -5.343 2.658 144 HG2 ARG 18 HG2 ARG 18 9.009 -5.511 4.887 145 HG3 ARG 18 HG1 ARG 18 10.602 -5.382 4.145 146 HD2 ARG 18 HD2 ARG 18 10.484 -3.831 6.010 147 HD3 ARG 18 HD1 ARG 18 10.519 -2.908 4.510 148 HE ARG 18 HE ARG 18 7.831 -3.409 5.295 149 HH11 ARG 18 HH21 ARG 18 10.647 -1.556 6.076 150 HH12 ARG 18 HH22 ARG 18 9.757 -0.235 6.758 151 HH21 ARG 18 HH11 ARG 18 6.658 -1.680 6.187 152 HH22 ARG 18 HH12 ARG 18 7.499 -0.306 6.821 153 H PHE 19 HN PHE 19 9.223 -6.199 0.464 154 HA PHE 19 HA PHE 19 10.926 -8.279 1.314 155 HB2 PHE 19 HB2 PHE 19 9.225 -7.884 -1.147 156 HB3 PHE 19 HB1 PHE 19 10.187 -9.343 -0.914 157 HD1 PHE 19 HD2 PHE 19 9.964 -10.413 1.527 158 HD2 PHE 19 HD1 PHE 19 7.022 -7.903 -0.342 159 HE1 PHE 19 HE2 PHE 19 8.218 -11.345 3.022 160 HE2 PHE 19 HE1 PHE 19 5.277 -8.834 1.152 161 HZ PHE 19 HZ PHE 19 5.875 -10.557 2.834 162 H LEU 20 HN LEU 20 11.195 -5.908 -1.285 163 HA LEU 20 HA LEU 20 13.334 -7.039 -2.691 164 HB2 LEU 20 HB2 LEU 20 12.064 -5.116 -3.546 165 HB3 LEU 20 HB1 LEU 20 12.700 -4.104 -2.251 166 HG LEU 20 HG LEU 20 14.996 -4.448 -3.106 167 HD11 LEU 20 HD11 LEU 20 15.078 -6.538 -4.142 168 HD12 LEU 20 HD12 LEU 20 15.008 -5.476 -5.548 169 HD13 LEU 20 HD13 LEU 20 13.552 -6.299 -4.989 170 HD21 LEU 20 HD21 LEU 20 13.729 -2.531 -3.950 171 HD22 LEU 20 HD22 LEU 20 12.998 -3.536 -5.203 172 HD23 LEU 20 HD23 LEU 20 14.728 -3.198 -5.240 173 H THR 21 HN THR 21 13.279 -5.020 0.215 174 HA THR 21 HA THR 21 15.970 -4.382 0.435 175 HB THR 21 HB THR 21 14.094 -5.126 2.693 176 HG1 THR 21 HG1 THR 21 13.302 -3.490 1.299 177 HG21 THR 21 HG21 THR 21 15.606 -3.333 3.831 178 HG22 THR 21 HG22 THR 21 16.750 -3.708 2.543 179 HG23 THR 21 HG23 THR 21 16.228 -4.972 3.657 180 H GLY 22 HN GLY 22 17.541 -5.328 2.040 181 HA2 GLY 22 HA2 GLY 22 18.822 -7.073 2.821 182 HA3 GLY 22 HA1 GLY 22 17.386 -8.089 2.734 183 HN1 NH2 23 HT1 GLY 22 18.577 -7.930 -1.096 184 HN2 NH2 23 HT2 GLY 22 17.664 -6.703 -0.282 Start of MODEL 4 1 H1 PHE 1 HT1 PHE 1 -15.363 5.823 1.210 2 H2 PHE 1 HT2 PHE 1 -13.676 5.985 1.091 3 H3 PHE 1 HT3 PHE 1 -14.360 5.117 2.382 4 HA PHE 1 HA PHE 1 -14.045 3.289 1.187 5 HB2 PHE 1 HB2 PHE 1 -16.447 3.575 0.855 6 HB3 PHE 1 HB1 PHE 1 -16.156 4.615 -0.539 7 HD1 PHE 1 HD1 PHE 1 -15.603 1.165 0.776 8 HD2 PHE 1 HD2 PHE 1 -15.806 3.691 -2.694 9 HE1 PHE 1 HE1 PHE 1 -15.490 -0.834 -0.688 10 HE2 PHE 1 HE2 PHE 1 -15.692 1.692 -4.156 11 HZ PHE 1 HZ PHE 1 -15.534 -0.571 -3.153 12 H ILE 2 HN ILE 2 -14.102 6.150 -0.895 13 HA ILE 2 HA ILE 2 -12.678 4.996 -3.060 14 HB ILE 2 HB ILE 2 -12.323 7.345 -3.777 15 HG12 ILE 2 HG12 ILE 2 -13.738 8.018 -1.176 16 HG13 ILE 2 HG11 ILE 2 -12.025 8.294 -1.485 17 HG21 ILE 2 HG21 ILE 2 -14.464 6.069 -4.169 18 HG22 ILE 2 HG22 ILE 2 -14.661 7.821 -4.148 19 HG23 ILE 2 HG23 ILE 2 -15.131 6.862 -2.742 20 HD11 ILE 2 HD11 ILE 2 -13.243 10.360 -1.910 21 HD12 ILE 2 HD12 ILE 2 -14.345 9.521 -3.001 22 HD13 ILE 2 HD13 ILE 2 -12.649 9.719 -3.441 23 H HIS 3 HN HIS 3 -11.649 6.652 -0.117 24 HA HIS 3 HA HIS 3 -8.984 7.148 -0.795 25 HB2 HIS 3 HB2 HIS 3 -8.534 7.229 1.582 26 HB3 HIS 3 HB1 HIS 3 -10.104 7.966 1.272 27 HD2 HIS 3 HD2 HIS 3 -8.636 5.272 3.517 28 HE1 HIS 3 HE1 HIS 3 -12.791 4.530 3.400 29 HE2 HIS 3 HE2 HIS 3 -10.624 3.969 4.598 30 H HIS 4 HN HIS 4 -10.458 4.203 0.596 31 HA HIS 4 HA HIS 4 -8.204 2.736 1.074 32 HB2 HIS 4 HB2 HIS 4 -10.943 1.884 0.152 33 HB3 HIS 4 HB1 HIS 4 -9.687 0.713 0.547 34 HD2 HIS 4 HD2 HIS 4 -12.526 2.008 2.417 35 HE1 HIS 4 HE1 HIS 4 -9.446 2.071 5.301 36 HE2 HIS 4 HE2 HIS 4 -11.959 2.189 4.959 37 H ILE 5 HN ILE 5 -9.787 3.136 -2.126 38 HA ILE 5 HA ILE 5 -8.322 1.135 -3.437 39 HB ILE 5 HB ILE 5 -9.341 3.755 -4.554 40 HG12 ILE 5 HG12 ILE 5 -10.985 2.141 -3.293 41 HG13 ILE 5 HG11 ILE 5 -11.444 2.768 -4.870 42 HG21 ILE 5 HG21 ILE 5 -9.520 2.258 -6.653 43 HG22 ILE 5 HG22 ILE 5 -8.412 1.176 -5.810 44 HG23 ILE 5 HG23 ILE 5 -7.918 2.827 -6.183 45 HD11 ILE 5 HD11 ILE 5 -11.010 0.721 -5.950 46 HD12 ILE 5 HD12 ILE 5 -11.743 0.225 -4.427 47 HD13 ILE 5 HD13 ILE 5 -9.998 0.127 -4.637 48 H PHE 6 HN PHE 6 -7.650 4.623 -3.103 49 HA PHE 6 HA PHE 6 -5.159 4.494 -4.505 50 HB2 PHE 6 HB2 PHE 6 -6.373 6.563 -2.668 51 HB3 PHE 6 HB1 PHE 6 -4.809 6.773 -3.455 52 HD1 PHE 6 HD2 PHE 6 -4.667 6.706 -5.972 53 HD2 PHE 6 HD1 PHE 6 -8.413 6.861 -3.876 54 HE1 PHE 6 HE2 PHE 6 -5.802 7.435 -8.053 55 HE2 PHE 6 HE1 PHE 6 -9.548 7.588 -5.956 56 HZ PHE 6 HZ PHE 6 -8.242 7.877 -8.045 57 H ARG 7 HN ARG 7 -6.116 4.393 -1.118 58 HA ARG 7 HA ARG 7 -3.555 4.556 0.041 59 HB2 ARG 7 HB2 ARG 7 -5.804 4.769 1.212 60 HB3 ARG 7 HB1 ARG 7 -5.890 3.011 1.164 61 HG2 ARG 7 HG2 ARG 7 -4.890 3.298 3.243 62 HG3 ARG 7 HG1 ARG 7 -3.452 3.178 2.233 63 HD2 ARG 7 HD2 ARG 7 -3.445 5.690 2.065 64 HD3 ARG 7 HD1 ARG 7 -4.777 5.723 3.215 65 HE ARG 7 HE ARG 7 -2.451 4.254 4.131 66 HH11 ARG 7 HH21 ARG 7 -4.080 7.298 3.897 67 HH12 ARG 7 HH22 ARG 7 -3.249 8.002 5.243 68 HH21 ARG 7 HH11 ARG 7 -1.351 5.174 5.892 69 HH22 ARG 7 HH12 ARG 7 -1.703 6.801 6.373 70 H GLY 8 HN GLY 8 -5.405 1.805 -1.188 71 HA2 GLY 8 HA2 GLY 8 -3.713 -0.232 -0.147 72 HA3 GLY 8 HA1 GLY 8 -4.856 -0.408 -1.474 73 H ILE 9 HN ILE 9 -3.676 1.700 -3.089 74 HA ILE 9 HA ILE 9 -1.826 0.177 -4.579 75 HB ILE 9 HB ILE 9 -2.399 3.147 -4.585 76 HG12 ILE 9 HG12 ILE 9 -4.202 1.341 -5.207 77 HG13 ILE 9 HG11 ILE 9 -3.979 2.730 -6.261 78 HG21 ILE 9 HG21 ILE 9 -1.408 2.929 -6.965 79 HG22 ILE 9 HG22 ILE 9 -0.669 1.443 -6.372 80 HG23 ILE 9 HG23 ILE 9 -0.283 2.985 -5.609 81 HD11 ILE 9 HD11 ILE 9 -2.861 1.471 -7.899 82 HD12 ILE 9 HD12 ILE 9 -4.103 0.357 -7.333 83 HD13 ILE 9 HD13 ILE 9 -2.444 0.183 -6.774 84 H VAL 10 HN VAL 10 -1.302 2.970 -2.427 85 HA VAL 10 HA VAL 10 1.525 2.951 -2.704 86 HB VAL 10 HB VAL 10 0.436 4.966 -1.962 87 HG11 VAL 10 HG11 VAL 10 -0.670 5.063 0.258 88 HG12 VAL 10 HG12 VAL 10 -0.454 3.320 0.423 89 HG13 VAL 10 HG13 VAL 10 -1.488 3.967 -0.851 90 HG21 VAL 10 HG21 VAL 10 1.905 3.881 0.452 91 HG22 VAL 10 HG22 VAL 10 1.869 5.543 -0.143 92 HG23 VAL 10 HG23 VAL 10 2.739 4.302 -1.045 93 H HIS 11 HN HIS 11 -0.680 1.392 -0.437 94 HA HIS 11 HA HIS 11 1.290 0.471 1.389 95 HB2 HIS 11 HB2 HIS 11 -1.176 0.540 1.838 96 HB3 HIS 11 HB1 HIS 11 -1.368 -0.822 0.734 97 HD2 HIS 11 HD2 HIS 11 -0.001 -0.111 4.340 98 HE1 HIS 11 HE1 HIS 11 0.225 -4.270 3.660 99 HE2 HIS 11 HE2 HIS 11 0.478 -2.445 5.407 100 H ALA 12 HN ALA 12 -0.233 -0.998 -1.461 101 HA ALA 12 HA ALA 12 0.971 -3.524 -1.332 102 HB1 ALA 12 HB1 ALA 12 -0.893 -2.793 -2.877 103 HB2 ALA 12 HB2 ALA 12 0.373 -3.752 -3.645 104 HB3 ALA 12 HB3 ALA 12 0.334 -2.003 -3.867 105 H GLY 13 HN GLY 13 2.253 -0.430 -2.183 106 HA2 GLY 13 HA2 GLY 13 4.564 -1.424 -3.620 107 HA3 GLY 13 HA1 GLY 13 4.293 0.234 -3.092 108 H ARG 14 HN ARG 14 3.685 -0.539 -0.381 109 HA ARG 14 HA ARG 14 6.311 -0.419 0.730 110 HB2 ARG 14 HB2 ARG 14 3.648 -0.943 2.072 111 HB3 ARG 14 HB1 ARG 14 5.148 -0.580 2.919 112 HG2 ARG 14 HG2 ARG 14 4.103 1.290 0.794 113 HG3 ARG 14 HG1 ARG 14 3.480 1.369 2.439 114 HD2 ARG 14 HD2 ARG 14 6.393 1.661 1.630 115 HD3 ARG 14 HD1 ARG 14 5.326 2.957 2.146 116 HE ARG 14 HE ARG 14 6.586 0.971 3.854 117 HH11 ARG 14 HH21 ARG 14 4.088 3.327 3.436 118 HH12 ARG 14 HH22 ARG 14 3.865 3.594 5.134 119 HH21 ARG 14 HH11 ARG 14 6.301 1.315 6.081 120 HH22 ARG 14 HH12 ARG 14 5.118 2.454 6.631 121 H SER 15 HN SER 15 3.893 -3.015 0.522 122 HA SER 15 HA SER 15 5.332 -4.903 2.077 123 HB2 SER 15 HB2 SER 15 3.810 -6.559 1.083 124 HB3 SER 15 HB1 SER 15 2.933 -5.125 1.610 125 HG SER 15 HG SER 15 3.751 -4.689 -0.861 126 H ILE 16 HN ILE 16 5.001 -4.551 -1.438 127 HA ILE 16 HA ILE 16 6.783 -6.649 -2.120 128 HB ILE 16 HB ILE 16 5.122 -5.617 -3.680 129 HG12 ILE 16 HG12 ILE 16 7.958 -5.478 -4.742 130 HG13 ILE 16 HG11 ILE 16 7.126 -6.996 -4.413 131 HG21 ILE 16 HG21 ILE 16 5.821 -3.251 -2.956 132 HG22 ILE 16 HG22 ILE 16 5.511 -3.503 -4.670 133 HG23 ILE 16 HG23 ILE 16 7.171 -3.434 -4.075 134 HD11 ILE 16 HD11 ILE 16 5.884 -4.883 -6.177 135 HD12 ILE 16 HD12 ILE 16 5.493 -6.599 -6.079 136 HD13 ILE 16 HD13 ILE 16 7.004 -6.081 -6.825 137 H GLY 17 HN GLY 17 7.264 -3.177 -1.657 138 HA2 GLY 17 HA2 GLY 17 9.994 -3.093 -2.433 139 HA3 GLY 17 HA1 GLY 17 9.168 -1.903 -1.432 140 H ARG 18 HN ARG 18 8.347 -3.809 0.576 141 HA ARG 18 HA ARG 18 10.541 -3.625 2.337 142 HB2 ARG 18 HB2 ARG 18 8.187 -3.806 3.086 143 HB3 ARG 18 HB1 ARG 18 8.153 -5.478 2.536 144 HG2 ARG 18 HG2 ARG 18 8.577 -5.407 4.944 145 HG3 ARG 18 HG1 ARG 18 10.007 -6.012 4.113 146 HD2 ARG 18 HD2 ARG 18 11.224 -4.063 4.509 147 HD3 ARG 18 HD1 ARG 18 9.781 -3.060 4.639 148 HE ARG 18 HE ARG 18 9.967 -5.003 6.753 149 HH11 ARG 18 HH21 ARG 18 11.034 -1.924 5.588 150 HH12 ARG 18 HH22 ARG 18 11.370 -1.289 7.165 151 HH21 ARG 18 HH11 ARG 18 10.403 -4.176 8.824 152 HH22 ARG 18 HH12 ARG 18 11.011 -2.563 8.997 153 H PHE 19 HN PHE 19 9.293 -6.383 0.466 154 HA PHE 19 HA PHE 19 11.137 -8.292 1.442 155 HB2 PHE 19 HB2 PHE 19 9.560 -8.151 -1.131 156 HB3 PHE 19 HB1 PHE 19 10.575 -9.526 -0.696 157 HD1 PHE 19 HD2 PHE 19 10.196 -10.512 1.713 158 HD2 PHE 19 HD1 PHE 19 7.325 -8.119 -0.402 159 HE1 PHE 19 HE2 PHE 19 8.386 -11.414 3.149 160 HE2 PHE 19 HE1 PHE 19 5.515 -9.020 1.034 161 HZ PHE 19 HZ PHE 19 6.046 -10.668 2.810 162 H LEU 20 HN LEU 20 11.314 -5.918 -1.133 163 HA LEU 20 HA LEU 20 13.540 -6.880 -2.530 164 HB2 LEU 20 HB2 LEU 20 12.087 -4.980 -3.255 165 HB3 LEU 20 HB1 LEU 20 12.840 -3.980 -2.016 166 HG LEU 20 HG LEU 20 15.063 -4.400 -3.074 167 HD11 LEU 20 HD11 LEU 20 14.962 -6.388 -4.283 168 HD12 LEU 20 HD12 LEU 20 14.754 -5.222 -5.584 169 HD13 LEU 20 HD13 LEU 20 13.349 -6.050 -4.915 170 HD21 LEU 20 HD21 LEU 20 14.520 -3.055 -5.193 171 HD22 LEU 20 HD22 LEU 20 14.001 -2.351 -3.662 172 HD23 LEU 20 HD23 LEU 20 12.831 -3.166 -4.700 173 H THR 21 HN THR 21 13.317 -5.028 0.454 174 HA THR 21 HA THR 21 15.913 -4.129 0.742 175 HB THR 21 HB THR 21 13.847 -3.884 2.321 176 HG1 THR 21 HG1 THR 21 16.109 -4.196 3.854 177 HG21 THR 21 HG21 THR 21 13.977 -6.465 2.777 178 HG22 THR 21 HG22 THR 21 13.636 -5.371 4.119 179 HG23 THR 21 HG23 THR 21 15.260 -6.020 3.898 180 H GLY 22 HN GLY 22 17.849 -4.981 1.356 181 HA2 GLY 22 HA2 GLY 22 19.414 -6.575 1.996 182 HA3 GLY 22 HA1 GLY 22 18.096 -7.702 2.304 183 HN1 NH2 23 HT1 GLY 22 18.273 -7.641 -1.707 184 HN2 NH2 23 HT2 GLY 22 17.490 -6.451 -0.723 Start of MODEL 5 1 H1 PHE 1 HT1 PHE 1 -14.563 3.641 1.762 2 H2 PHE 1 HT2 PHE 1 -14.782 4.927 0.675 3 H3 PHE 1 HT3 PHE 1 -13.239 4.600 1.308 4 HA PHE 1 HA PHE 1 -13.420 2.345 0.211 5 HB2 PHE 1 HB2 PHE 1 -15.651 3.859 -1.176 6 HB3 PHE 1 HB1 PHE 1 -14.966 2.340 -1.753 7 HD1 PHE 1 HD1 PHE 1 -15.132 0.277 -0.316 8 HD2 PHE 1 HD2 PHE 1 -17.222 3.911 0.619 9 HE1 PHE 1 HE1 PHE 1 -16.628 -0.977 1.214 10 HE2 PHE 1 HE2 PHE 1 -18.717 2.657 2.149 11 HZ PHE 1 HZ PHE 1 -18.420 0.213 2.447 12 H ILE 2 HN ILE 2 -14.012 5.586 -1.174 13 HA ILE 2 HA ILE 2 -12.362 5.431 -3.386 14 HB ILE 2 HB ILE 2 -12.994 7.777 -1.583 15 HG12 ILE 2 HG12 ILE 2 -14.447 8.382 -3.561 16 HG13 ILE 2 HG11 ILE 2 -14.047 6.817 -4.263 17 HG21 ILE 2 HG21 ILE 2 -10.995 8.442 -2.657 18 HG22 ILE 2 HG22 ILE 2 -12.274 9.111 -3.670 19 HG23 ILE 2 HG23 ILE 2 -11.434 7.639 -4.164 20 HD11 ILE 2 HD11 ILE 2 -15.237 5.635 -2.637 21 HD12 ILE 2 HD12 ILE 2 -16.240 7.065 -2.850 22 HD13 ILE 2 HD13 ILE 2 -15.155 6.951 -1.466 23 H HIS 3 HN HIS 3 -11.484 6.222 -0.016 24 HA HIS 3 HA HIS 3 -8.742 6.756 -0.630 25 HB2 HIS 3 HB2 HIS 3 -8.616 6.255 1.991 26 HB3 HIS 3 HB1 HIS 3 -9.352 7.735 1.375 27 HD2 HIS 3 HD2 HIS 3 -12.224 7.774 1.478 28 HE1 HIS 3 HE1 HIS 3 -12.562 4.306 3.860 29 HE2 HIS 3 HE2 HIS 3 -13.826 6.295 2.914 30 H HIS 4 HN HIS 4 -10.464 3.906 0.680 31 HA HIS 4 HA HIS 4 -8.409 2.233 1.240 32 HB2 HIS 4 HB2 HIS 4 -11.055 1.660 -0.082 33 HB3 HIS 4 HB1 HIS 4 -9.960 0.368 0.405 34 HD2 HIS 4 HD2 HIS 4 -12.298 -0.047 2.295 35 HE1 HIS 4 HE1 HIS 4 -10.779 2.856 4.958 36 HE2 HIS 4 HE2 HIS 4 -12.423 0.936 4.710 37 H ILE 5 HN ILE 5 -9.847 2.488 -2.066 38 HA ILE 5 HA ILE 5 -8.072 0.677 -3.277 39 HB ILE 5 HB ILE 5 -10.083 1.298 -4.419 40 HG12 ILE 5 HG12 ILE 5 -7.887 2.694 -5.958 41 HG13 ILE 5 HG11 ILE 5 -7.936 0.940 -5.782 42 HG21 ILE 5 HG21 ILE 5 -9.033 4.141 -4.522 43 HG22 ILE 5 HG22 ILE 5 -10.249 3.573 -3.384 44 HG23 ILE 5 HG23 ILE 5 -10.593 3.571 -5.108 45 HD11 ILE 5 HD11 ILE 5 -10.162 2.642 -6.944 46 HD12 ILE 5 HD12 ILE 5 -10.171 0.883 -6.804 47 HD13 ILE 5 HD13 ILE 5 -9.023 1.677 -7.882 48 H PHE 6 HN PHE 6 -7.863 4.236 -2.974 49 HA PHE 6 HA PHE 6 -5.420 4.464 -4.419 50 HB2 PHE 6 HB2 PHE 6 -7.115 6.227 -2.724 51 HB3 PHE 6 HB1 PHE 6 -5.427 6.707 -2.870 52 HD1 PHE 6 HD2 PHE 6 -4.446 6.615 -5.319 53 HD2 PHE 6 HD1 PHE 6 -8.628 6.929 -4.389 54 HE1 PHE 6 HE2 PHE 6 -4.878 7.544 -7.578 55 HE2 PHE 6 HE1 PHE 6 -9.060 7.858 -6.647 56 HZ PHE 6 HZ PHE 6 -7.187 8.165 -8.242 57 H ARG 7 HN ARG 7 -6.145 4.323 -0.965 58 HA ARG 7 HA ARG 7 -3.463 4.564 -0.067 59 HB2 ARG 7 HB2 ARG 7 -5.909 3.414 1.281 60 HB3 ARG 7 HB1 ARG 7 -4.356 3.632 2.086 61 HG2 ARG 7 HG2 ARG 7 -4.464 6.077 1.422 62 HG3 ARG 7 HG1 ARG 7 -6.118 5.786 0.892 63 HD2 ARG 7 HD2 ARG 7 -5.080 5.254 3.687 64 HD3 ARG 7 HD1 ARG 7 -6.016 6.668 3.213 65 HE ARG 7 HE ARG 7 -7.466 4.386 2.456 66 HH11 ARG 7 HH21 ARG 7 -6.297 5.991 5.290 67 HH12 ARG 7 HH22 ARG 7 -7.585 5.433 6.305 68 HH21 ARG 7 HH11 ARG 7 -9.158 3.650 3.782 69 HH22 ARG 7 HH12 ARG 7 -9.205 4.109 5.452 70 H GLY 8 HN GLY 8 -5.455 1.797 -0.972 71 HA2 GLY 8 HA2 GLY 8 -3.844 -0.257 0.110 72 HA3 GLY 8 HA1 GLY 8 -4.958 -0.422 -1.241 73 H ILE 9 HN ILE 9 -3.733 1.508 -2.941 74 HA ILE 9 HA ILE 9 -1.794 -0.121 -4.228 75 HB ILE 9 HB ILE 9 -2.520 2.795 -4.603 76 HG12 ILE 9 HG12 ILE 9 -3.114 0.396 -6.356 77 HG13 ILE 9 HG11 ILE 9 -4.219 0.952 -5.101 78 HG21 ILE 9 HG21 ILE 9 -0.315 2.609 -5.475 79 HG22 ILE 9 HG22 ILE 9 -1.369 2.393 -6.871 80 HG23 ILE 9 HG23 ILE 9 -0.618 0.992 -6.108 81 HD11 ILE 9 HD11 ILE 9 -3.185 2.926 -7.124 82 HD12 ILE 9 HD12 ILE 9 -4.697 2.945 -6.215 83 HD13 ILE 9 HD13 ILE 9 -4.497 1.833 -7.568 84 H VAL 10 HN VAL 10 -1.526 2.821 -2.254 85 HA VAL 10 HA VAL 10 1.295 3.049 -2.450 86 HB VAL 10 HB VAL 10 -0.641 4.082 -0.366 87 HG11 VAL 10 HG11 VAL 10 2.312 4.558 -0.806 88 HG12 VAL 10 HG12 VAL 10 1.497 4.082 0.684 89 HG13 VAL 10 HG13 VAL 10 1.296 5.716 0.052 90 HG21 VAL 10 HG21 VAL 10 -0.453 6.175 -1.599 91 HG22 VAL 10 HG22 VAL 10 -0.923 4.898 -2.721 92 HG23 VAL 10 HG23 VAL 10 0.745 5.468 -2.683 93 H HIS 11 HN HIS 11 -0.828 1.578 -0.017 94 HA HIS 11 HA HIS 11 1.256 0.779 1.744 95 HB2 HIS 11 HB2 HIS 11 -1.092 0.953 2.459 96 HB3 HIS 11 HB1 HIS 11 -1.514 -0.388 1.396 97 HD2 HIS 11 HD2 HIS 11 0.264 0.202 4.838 98 HE1 HIS 11 HE1 HIS 11 0.101 -3.960 4.159 99 HE2 HIS 11 HE2 HIS 11 0.668 -2.165 5.862 100 H ALA 12 HN ALA 12 -0.575 -0.992 -0.749 101 HA ALA 12 HA ALA 12 0.814 -3.444 -0.432 102 HB1 ALA 12 HB1 ALA 12 -0.612 -2.398 -2.888 103 HB2 ALA 12 HB2 ALA 12 -1.398 -3.227 -1.544 104 HB3 ALA 12 HB3 ALA 12 -0.218 -4.080 -2.539 105 H GLY 13 HN GLY 13 1.417 -0.553 -2.311 106 HA2 GLY 13 HA2 GLY 13 3.476 -1.722 -3.955 107 HA3 GLY 13 HA1 GLY 13 3.102 -0.006 -3.816 108 H ARG 14 HN ARG 14 3.499 0.618 -1.277 109 HA ARG 14 HA ARG 14 6.220 0.963 -0.967 110 HB2 ARG 14 HB2 ARG 14 4.494 2.196 0.325 111 HB3 ARG 14 HB1 ARG 14 4.211 0.745 1.288 112 HG2 ARG 14 HG2 ARG 14 6.552 0.771 2.047 113 HG3 ARG 14 HG1 ARG 14 6.867 2.195 1.054 114 HD2 ARG 14 HD2 ARG 14 5.197 3.468 2.343 115 HD3 ARG 14 HD1 ARG 14 4.867 2.046 3.328 116 HE ARG 14 HE ARG 14 7.599 2.487 3.523 117 HH11 ARG 14 HH21 ARG 14 4.657 4.190 4.174 118 HH12 ARG 14 HH22 ARG 14 5.316 5.105 5.490 119 HH21 ARG 14 HH11 ARG 14 8.469 3.682 5.248 120 HH22 ARG 14 HH12 ARG 14 7.474 4.817 6.097 121 H SER 15 HN SER 15 4.241 -1.745 0.036 122 HA SER 15 HA SER 15 6.094 -3.014 1.759 123 HB2 SER 15 HB2 SER 15 4.738 -5.015 1.438 124 HB3 SER 15 HB1 SER 15 3.698 -3.609 1.644 125 HG SER 15 HG SER 15 2.881 -4.179 -0.200 126 H ILE 16 HN ILE 16 5.701 -2.999 -1.706 127 HA ILE 16 HA ILE 16 7.199 -5.222 -2.452 128 HB ILE 16 HB ILE 16 5.937 -3.415 -3.915 129 HG12 ILE 16 HG12 ILE 16 7.619 -4.111 -5.872 130 HG13 ILE 16 HG11 ILE 16 8.289 -5.160 -4.625 131 HG21 ILE 16 HG21 ILE 16 7.285 -1.755 -4.950 132 HG22 ILE 16 HG22 ILE 16 8.776 -2.474 -4.341 133 HG23 ILE 16 HG23 ILE 16 7.685 -1.647 -3.240 134 HD11 ILE 16 HD11 ILE 16 5.425 -5.115 -5.623 135 HD12 ILE 16 HD12 ILE 16 5.966 -6.060 -4.238 136 HD13 ILE 16 HD13 ILE 16 6.606 -6.406 -5.843 137 H GLY 17 HN GLY 17 8.335 -2.011 -1.503 138 HA2 GLY 17 HA2 GLY 17 11.073 -2.410 -2.109 139 HA3 GLY 17 HA1 GLY 17 10.429 -1.205 -1.003 140 H ARG 18 HN ARG 18 9.200 -2.853 0.864 141 HA ARG 18 HA ARG 18 11.400 -3.561 2.515 142 HB2 ARG 18 HB2 ARG 18 9.080 -2.853 3.286 143 HB3 ARG 18 HB1 ARG 18 8.549 -4.484 2.890 144 HG2 ARG 18 HG2 ARG 18 9.108 -4.790 5.127 145 HG3 ARG 18 HG1 ARG 18 10.654 -5.181 4.379 146 HD2 ARG 18 HD2 ARG 18 11.383 -2.826 4.718 147 HD3 ARG 18 HD1 ARG 18 9.855 -2.486 5.524 148 HE ARG 18 HE ARG 18 12.095 -4.010 6.605 149 HH11 ARG 18 HH21 ARG 18 8.751 -3.143 6.793 150 HH12 ARG 18 HH22 ARG 18 8.600 -3.540 8.472 151 HH21 ARG 18 HH11 ARG 18 11.906 -4.533 8.806 152 HH22 ARG 18 HH12 ARG 18 10.386 -4.328 9.612 153 H PHE 19 HN PHE 19 9.090 -5.503 0.641 154 HA PHE 19 HA PHE 19 9.952 -8.045 1.477 155 HB2 PHE 19 HB2 PHE 19 7.858 -7.662 0.240 156 HB3 PHE 19 HB1 PHE 19 8.787 -7.232 -1.198 157 HD1 PHE 19 HD2 PHE 19 8.081 -9.983 1.208 158 HD2 PHE 19 HD1 PHE 19 9.739 -8.905 -2.606 159 HE1 PHE 19 HE2 PHE 19 8.270 -12.383 0.611 160 HE2 PHE 19 HE1 PHE 19 9.928 -11.305 -3.203 161 HZ PHE 19 HZ PHE 19 9.194 -13.044 -1.593 162 H LEU 20 HN LEU 20 11.126 -5.897 -1.064 163 HA LEU 20 HA LEU 20 12.822 -7.704 -2.384 164 HB2 LEU 20 HB2 LEU 20 12.812 -4.712 -2.084 165 HB3 LEU 20 HB1 LEU 20 14.129 -5.509 -2.936 166 HG LEU 20 HG LEU 20 11.214 -5.995 -3.617 167 HD11 LEU 20 HD11 LEU 20 11.781 -4.429 -5.593 168 HD12 LEU 20 HD12 LEU 20 13.124 -3.870 -4.597 169 HD13 LEU 20 HD13 LEU 20 11.466 -3.677 -4.031 170 HD21 LEU 20 HD21 LEU 20 12.440 -7.708 -4.645 171 HD22 LEU 20 HD22 LEU 20 13.873 -6.706 -4.856 172 HD23 LEU 20 HD23 LEU 20 12.476 -6.479 -5.902 173 H THR 21 HN THR 21 13.373 -5.696 0.493 174 HA THR 21 HA THR 21 16.111 -5.939 0.780 175 HB THR 21 HB THR 21 15.771 -5.586 3.140 176 HG1 THR 21 HG1 THR 21 13.813 -6.005 4.094 177 HG21 THR 21 HG21 THR 21 14.275 -3.681 3.092 178 HG22 THR 21 HG22 THR 21 13.461 -4.309 1.661 179 HG23 THR 21 HG23 THR 21 15.130 -3.751 1.550 180 H GLY 22 HN GLY 22 13.728 -8.110 2.355 181 HA2 GLY 22 HA2 GLY 22 15.486 -10.409 1.817 182 HA3 GLY 22 HA1 GLY 22 15.110 -10.029 3.497 183 HN1 NH2 23 HT1 GLY 22 11.468 -10.453 1.871 184 HN2 NH2 23 HT2 GLY 22 12.447 -9.028 1.771 Start of MODEL 6 1 H1 PHE 1 HT1 PHE 1 -13.159 6.651 1.062 2 H2 PHE 1 HT2 PHE 1 -14.236 5.618 1.876 3 H3 PHE 1 HT3 PHE 1 -14.788 6.588 0.593 4 HA PHE 1 HA PHE 1 -13.382 4.057 0.538 5 HB2 PHE 1 HB2 PHE 1 -15.280 5.538 -1.302 6 HB3 PHE 1 HB1 PHE 1 -14.634 3.932 -1.642 7 HD1 PHE 1 HD1 PHE 1 -15.194 2.010 -0.183 8 HD2 PHE 1 HD2 PHE 1 -16.970 5.879 0.396 9 HE1 PHE 1 HE1 PHE 1 -16.942 0.994 1.253 10 HE2 PHE 1 HE2 PHE 1 -18.718 4.863 1.832 11 HZ PHE 1 HZ PHE 1 -18.703 2.420 2.262 12 H ILE 2 HN ILE 2 -13.143 7.275 -0.854 13 HA ILE 2 HA ILE 2 -11.549 6.824 -3.066 14 HB ILE 2 HB ILE 2 -11.441 9.114 -1.086 15 HG12 ILE 2 HG12 ILE 2 -12.772 8.927 -3.807 16 HG13 ILE 2 HG11 ILE 2 -13.624 8.628 -2.292 17 HG21 ILE 2 HG21 ILE 2 -10.248 8.769 -3.851 18 HG22 ILE 2 HG22 ILE 2 -9.397 9.165 -2.357 19 HG23 ILE 2 HG23 ILE 2 -10.478 10.345 -3.095 20 HD11 ILE 2 HD11 ILE 2 -12.812 10.937 -1.542 21 HD12 ILE 2 HD12 ILE 2 -14.033 10.921 -2.814 22 HD13 ILE 2 HD13 ILE 2 -12.339 11.203 -3.221 23 H HIS 3 HN HIS 3 -10.581 7.045 0.351 24 HA HIS 3 HA HIS 3 -7.784 6.965 -0.135 25 HB2 HIS 3 HB2 HIS 3 -7.712 6.159 2.286 26 HB3 HIS 3 HB1 HIS 3 -8.481 7.720 2.003 27 HD2 HIS 3 HD2 HIS 3 -11.433 7.539 1.953 28 HE1 HIS 3 HE1 HIS 3 -11.473 3.976 4.218 29 HE2 HIS 3 HE2 HIS 3 -12.899 5.890 3.350 30 H HIS 4 HN HIS 4 -10.185 4.431 0.557 31 HA HIS 4 HA HIS 4 -8.618 2.250 0.913 32 HB2 HIS 4 HB2 HIS 4 -11.105 2.298 0.955 33 HB3 HIS 4 HB1 HIS 4 -11.100 2.289 -0.809 34 HD2 HIS 4 HD2 HIS 4 -10.770 -0.237 -1.947 35 HE1 HIS 4 HE1 HIS 4 -9.889 -2.321 1.618 36 HE2 HIS 4 HE2 HIS 4 -10.366 -2.578 -0.864 37 H ILE 5 HN ILE 5 -9.702 3.337 -2.366 38 HA ILE 5 HA ILE 5 -8.200 1.335 -3.700 39 HB ILE 5 HB ILE 5 -10.084 2.356 -4.795 40 HG12 ILE 5 HG12 ILE 5 -7.610 3.363 -6.222 41 HG13 ILE 5 HG11 ILE 5 -8.043 1.655 -6.157 42 HG21 ILE 5 HG21 ILE 5 -9.757 4.596 -3.630 43 HG22 ILE 5 HG22 ILE 5 -10.224 4.684 -5.324 44 HG23 ILE 5 HG23 ILE 5 -8.547 4.963 -4.856 45 HD11 ILE 5 HD11 ILE 5 -8.860 2.966 -8.210 46 HD12 ILE 5 HD12 ILE 5 -9.986 3.766 -7.113 47 HD13 ILE 5 HD13 ILE 5 -10.073 2.020 -7.348 48 H PHE 6 HN PHE 6 -7.497 4.793 -3.101 49 HA PHE 6 HA PHE 6 -4.988 4.723 -4.469 50 HB2 PHE 6 HB2 PHE 6 -6.424 6.650 -2.685 51 HB3 PHE 6 HB1 PHE 6 -4.692 6.886 -2.906 52 HD1 PHE 6 HD2 PHE 6 -3.880 6.632 -5.439 53 HD2 PHE 6 HD1 PHE 6 -7.858 7.702 -4.222 54 HE1 PHE 6 HE2 PHE 6 -4.273 7.684 -7.650 55 HE2 PHE 6 HE1 PHE 6 -8.253 8.753 -6.432 56 HZ PHE 6 HZ PHE 6 -6.459 8.744 -8.147 57 H ARG 7 HN ARG 7 -5.835 4.680 -1.029 58 HA ARG 7 HA ARG 7 -3.217 4.500 -0.023 59 HB2 ARG 7 HB2 ARG 7 -5.207 5.071 1.354 60 HB3 ARG 7 HB1 ARG 7 -5.733 3.390 1.239 61 HG2 ARG 7 HG2 ARG 7 -3.650 2.645 2.318 62 HG3 ARG 7 HG1 ARG 7 -3.094 4.317 2.411 63 HD2 ARG 7 HD2 ARG 7 -5.134 4.849 3.777 64 HD3 ARG 7 HD1 ARG 7 -5.518 3.130 3.788 65 HE ARG 7 HE ARG 7 -2.847 3.604 4.697 66 HH11 ARG 7 HH21 ARG 7 -6.189 3.765 5.579 67 HH12 ARG 7 HH22 ARG 7 -5.895 3.551 7.272 68 HH21 ARG 7 HH11 ARG 7 -2.452 3.322 6.914 69 HH22 ARG 7 HH12 ARG 7 -3.779 3.301 8.027 70 H GLY 8 HN GLY 8 -5.443 2.013 -1.162 71 HA2 GLY 8 HA2 GLY 8 -4.122 -0.256 -0.138 72 HA3 GLY 8 HA1 GLY 8 -5.155 -0.229 -1.563 73 H ILE 9 HN ILE 9 -3.547 1.723 -2.982 74 HA ILE 9 HA ILE 9 -1.752 -0.032 -4.318 75 HB ILE 9 HB ILE 9 -2.010 2.985 -4.387 76 HG12 ILE 9 HG12 ILE 9 -3.966 1.760 -5.238 77 HG13 ILE 9 HG11 ILE 9 -3.121 2.562 -6.553 78 HG21 ILE 9 HG21 ILE 9 -0.234 1.106 -5.939 79 HG22 ILE 9 HG22 ILE 9 0.195 2.612 -5.128 80 HG23 ILE 9 HG23 ILE 9 -0.742 2.652 -6.620 81 HD11 ILE 9 HD11 ILE 9 -3.410 0.484 -7.513 82 HD12 ILE 9 HD12 ILE 9 -3.393 -0.354 -5.964 83 HD13 ILE 9 HD13 ILE 9 -1.881 0.174 -6.694 84 H VAL 10 HN VAL 10 -1.247 2.586 -1.974 85 HA VAL 10 HA VAL 10 1.583 2.446 -1.954 86 HB VAL 10 HB VAL 10 -0.383 3.426 0.127 87 HG11 VAL 10 HG11 VAL 10 2.634 3.450 0.032 88 HG12 VAL 10 HG12 VAL 10 1.574 3.029 1.377 89 HG13 VAL 10 HG13 VAL 10 1.751 4.714 0.888 90 HG21 VAL 10 HG21 VAL 10 0.317 5.646 -0.736 91 HG22 VAL 10 HG22 VAL 10 -0.408 4.658 -2.004 92 HG23 VAL 10 HG23 VAL 10 1.344 4.847 -1.929 93 H HIS 11 HN HIS 11 -0.892 0.953 0.110 94 HA HIS 11 HA HIS 11 0.927 -0.372 1.844 95 HB2 HIS 11 HB2 HIS 11 -1.444 0.032 2.414 96 HB3 HIS 11 HB1 HIS 11 -1.929 -1.109 1.160 97 HD2 HIS 11 HD2 HIS 11 0.188 -1.256 4.532 98 HE1 HIS 11 HE1 HIS 11 -1.389 -5.086 3.714 99 HE2 HIS 11 HE2 HIS 11 -0.064 -3.710 5.388 100 H ALA 12 HN ALA 12 -0.874 -1.464 -1.025 101 HA ALA 12 HA ALA 12 0.053 -4.131 -1.000 102 HB1 ALA 12 HB1 ALA 12 -0.851 -2.437 -3.340 103 HB2 ALA 12 HB2 ALA 12 -1.898 -3.409 -2.306 104 HB3 ALA 12 HB3 ALA 12 -0.705 -4.194 -3.338 105 H GLY 13 HN GLY 13 1.429 -1.158 -2.217 106 HA2 GLY 13 HA2 GLY 13 3.515 -2.476 -3.756 107 HA3 GLY 13 HA1 GLY 13 3.360 -0.746 -3.469 108 H ARG 14 HN ARG 14 3.121 -0.956 -0.643 109 HA ARG 14 HA ARG 14 5.755 -0.637 0.182 110 HB2 ARG 14 HB2 ARG 14 3.647 0.052 1.439 111 HB3 ARG 14 HB1 ARG 14 3.561 -1.612 2.014 112 HG2 ARG 14 HG2 ARG 14 4.811 -0.689 3.742 113 HG3 ARG 14 HG1 ARG 14 6.122 -1.158 2.662 114 HD2 ARG 14 HD2 ARG 14 6.551 1.108 3.318 115 HD3 ARG 14 HD1 ARG 14 5.978 1.171 1.655 116 HE ARG 14 HE ARG 14 3.809 1.439 3.494 117 HH11 ARG 14 HH21 ARG 14 6.507 3.088 2.090 118 HH12 ARG 14 HH22 ARG 14 5.806 4.663 2.255 119 HH21 ARG 14 HH11 ARG 14 2.884 3.500 3.715 120 HH22 ARG 14 HH12 ARG 14 3.754 4.897 3.174 121 H SER 15 HN SER 15 3.789 -3.567 0.139 122 HA SER 15 HA SER 15 5.495 -5.219 1.668 123 HB2 SER 15 HB2 SER 15 3.607 -5.922 -0.589 124 HB3 SER 15 HB1 SER 15 4.355 -7.092 0.496 125 HG SER 15 HG SER 15 2.928 -4.880 1.503 126 H ILE 16 HN ILE 16 5.378 -4.503 -1.789 127 HA ILE 16 HA ILE 16 7.428 -6.312 -2.575 128 HB ILE 16 HB ILE 16 6.371 -3.791 -3.873 129 HG12 ILE 16 HG12 ILE 16 5.393 -5.463 -5.455 130 HG13 ILE 16 HG11 ILE 16 6.034 -6.756 -4.442 131 HG21 ILE 16 HG21 ILE 16 8.586 -3.981 -4.725 132 HG22 ILE 16 HG22 ILE 16 7.565 -4.765 -5.931 133 HG23 ILE 16 HG23 ILE 16 8.492 -5.741 -4.792 134 HD11 ILE 16 HD11 ILE 16 3.551 -5.948 -4.112 135 HD12 ILE 16 HD12 ILE 16 4.299 -4.638 -3.202 136 HD13 ILE 16 HD13 ILE 16 4.545 -6.313 -2.703 137 H GLY 17 HN GLY 17 7.479 -2.868 -1.706 138 HA2 GLY 17 HA2 GLY 17 10.229 -2.437 -2.179 139 HA3 GLY 17 HA1 GLY 17 9.208 -1.463 -1.129 140 H ARG 18 HN ARG 18 8.458 -3.446 0.725 141 HA ARG 18 HA ARG 18 10.675 -3.384 2.493 142 HB2 ARG 18 HB2 ARG 18 8.315 -3.466 3.250 143 HB3 ARG 18 HB1 ARG 18 8.196 -5.117 2.644 144 HG2 ARG 18 HG2 ARG 18 10.002 -5.818 4.174 145 HG3 ARG 18 HG1 ARG 18 10.133 -4.164 4.775 146 HD2 ARG 18 HD2 ARG 18 7.789 -4.266 5.546 147 HD3 ARG 18 HD1 ARG 18 7.667 -5.921 4.955 148 HE ARG 18 HE ARG 18 9.061 -5.028 7.352 149 HH11 ARG 18 HH21 ARG 18 8.577 -7.492 4.971 150 HH12 ARG 18 HH22 ARG 18 9.173 -8.772 5.976 151 HH21 ARG 18 HH11 ARG 18 9.844 -6.700 8.674 152 HH22 ARG 18 HH12 ARG 18 9.890 -8.323 8.071 153 H PHE 19 HN PHE 19 9.248 -5.980 0.531 154 HA PHE 19 HA PHE 19 10.996 -8.034 1.405 155 HB2 PHE 19 HB2 PHE 19 9.139 -7.641 -0.922 156 HB3 PHE 19 HB1 PHE 19 10.294 -8.971 -0.992 157 HD1 PHE 19 HD2 PHE 19 8.235 -7.441 1.759 158 HD2 PHE 19 HD1 PHE 19 9.282 -10.998 -0.411 159 HE1 PHE 19 HE2 PHE 19 6.781 -8.781 3.255 160 HE2 PHE 19 HE1 PHE 19 7.829 -12.337 1.085 161 HZ PHE 19 HZ PHE 19 6.577 -11.229 2.918 162 H LEU 20 HN LEU 20 11.213 -5.606 -1.142 163 HA LEU 20 HA LEU 20 13.412 -6.669 -2.530 164 HB2 LEU 20 HB2 LEU 20 12.043 -4.830 -3.418 165 HB3 LEU 20 HB1 LEU 20 12.624 -3.767 -2.138 166 HG LEU 20 HG LEU 20 14.934 -3.996 -2.986 167 HD11 LEU 20 HD11 LEU 20 15.110 -6.106 -3.990 168 HD12 LEU 20 HD12 LEU 20 15.039 -5.048 -5.397 169 HD13 LEU 20 HD13 LEU 20 13.597 -5.922 -4.879 170 HD21 LEU 20 HD21 LEU 20 12.816 -3.178 -4.989 171 HD22 LEU 20 HD22 LEU 20 14.536 -2.860 -5.219 172 HD23 LEU 20 HD23 LEU 20 13.680 -2.142 -3.855 173 H THR 21 HN THR 21 13.233 -4.534 0.298 174 HA THR 21 HA THR 21 15.983 -3.952 0.492 175 HB THR 21 HB THR 21 13.889 -4.140 2.670 176 HG1 THR 21 HG1 THR 21 14.657 -2.234 0.799 177 HG21 THR 21 HG21 THR 21 15.553 -2.435 3.728 178 HG22 THR 21 HG22 THR 21 16.734 -3.148 2.629 179 HG23 THR 21 HG23 THR 21 15.927 -4.155 3.833 180 H GLY 22 HN GLY 22 14.032 -6.532 1.985 181 HA2 GLY 22 HA2 GLY 22 16.128 -8.431 1.911 182 HA3 GLY 22 HA1 GLY 22 16.035 -7.726 3.522 183 HN1 NH2 23 HT1 GLY 22 12.269 -8.970 2.895 184 HN2 NH2 23 HT2 GLY 22 12.951 -7.497 2.286 Start of MODEL 7 1 H1 PHE 1 HT1 PHE 1 -13.936 5.015 2.435 2 H2 PHE 1 HT2 PHE 1 -15.018 5.811 1.394 3 H3 PHE 1 HT3 PHE 1 -13.348 5.865 1.090 4 HA PHE 1 HA PHE 1 -13.936 3.188 1.203 5 HB2 PHE 1 HB2 PHE 1 -16.317 3.717 1.035 6 HB3 PHE 1 HB1 PHE 1 -16.015 4.750 -0.363 7 HD1 PHE 1 HD2 PHE 1 -15.546 1.239 0.857 8 HD2 PHE 1 HD1 PHE 1 -16.067 3.829 -2.531 9 HE1 PHE 1 HE2 PHE 1 -15.722 -0.738 -0.628 10 HE2 PHE 1 HE1 PHE 1 -16.242 1.851 -4.015 11 HZ PHE 1 HZ PHE 1 -16.069 -0.433 -3.064 12 H ILE 2 HN ILE 2 -14.049 5.998 -0.988 13 HA ILE 2 HA ILE 2 -12.688 4.710 -3.126 14 HB ILE 2 HB ILE 2 -12.436 7.000 -4.034 15 HG12 ILE 2 HG12 ILE 2 -13.710 7.828 -1.404 16 HG13 ILE 2 HG11 ILE 2 -12.039 8.152 -1.872 17 HG21 ILE 2 HG21 ILE 2 -14.809 7.417 -4.303 18 HG22 ILE 2 HG22 ILE 2 -15.176 6.518 -2.830 19 HG23 ILE 2 HG23 ILE 2 -14.557 5.671 -4.249 20 HD11 ILE 2 HD11 ILE 2 -13.010 9.300 -3.953 21 HD12 ILE 2 HD12 ILE 2 -13.218 10.143 -2.417 22 HD13 ILE 2 HD13 ILE 2 -14.563 9.242 -3.120 23 H HIS 3 HN HIS 3 -11.634 6.604 -0.359 24 HA HIS 3 HA HIS 3 -9.006 7.147 -1.115 25 HB2 HIS 3 HB2 HIS 3 -10.173 6.559 1.615 26 HB3 HIS 3 HB1 HIS 3 -8.519 7.124 1.362 27 HD2 HIS 3 HD2 HIS 3 -11.991 8.649 1.770 28 HE1 HIS 3 HE1 HIS 3 -9.672 11.601 -0.162 29 HE2 HIS 3 HE2 HIS 3 -11.870 11.149 1.027 30 H HIS 4 HN HIS 4 -10.364 4.219 0.397 31 HA HIS 4 HA HIS 4 -8.096 2.825 0.957 32 HB2 HIS 4 HB2 HIS 4 -10.514 2.144 1.340 33 HB3 HIS 4 HB1 HIS 4 -10.511 1.542 -0.317 34 HD2 HIS 4 HD2 HIS 4 -8.880 -0.772 -0.745 35 HE1 HIS 4 HE1 HIS 4 -8.007 -1.409 3.337 36 HE2 HIS 4 HE2 HIS 4 -7.859 -2.415 1.010 37 H ILE 5 HN ILE 5 -9.605 3.123 -2.279 38 HA ILE 5 HA ILE 5 -8.023 1.179 -3.554 39 HB ILE 5 HB ILE 5 -9.140 3.738 -4.717 40 HG12 ILE 5 HG12 ILE 5 -10.898 2.537 -3.543 41 HG13 ILE 5 HG11 ILE 5 -11.124 2.338 -5.277 42 HG21 ILE 5 HG21 ILE 5 -9.209 2.446 -6.815 43 HG22 ILE 5 HG22 ILE 5 -8.460 1.074 -5.996 44 HG23 ILE 5 HG23 ILE 5 -7.563 2.579 -6.198 45 HD11 ILE 5 HD11 ILE 5 -9.707 0.143 -4.932 46 HD12 ILE 5 HD12 ILE 5 -11.414 0.154 -4.499 47 HD13 ILE 5 HD13 ILE 5 -10.188 0.328 -3.246 48 H PHE 6 HN PHE 6 -7.558 4.700 -3.215 49 HA PHE 6 HA PHE 6 -5.070 4.778 -4.599 50 HB2 PHE 6 HB2 PHE 6 -6.383 6.799 -4.344 51 HB3 PHE 6 HB1 PHE 6 -6.291 6.681 -2.587 52 HD1 PHE 6 HD1 PHE 6 -4.296 7.229 -5.678 53 HD2 PHE 6 HD2 PHE 6 -4.357 7.409 -1.387 54 HE1 PHE 6 HE1 PHE 6 -2.149 8.469 -5.701 55 HE2 PHE 6 HE2 PHE 6 -2.209 8.648 -1.409 56 HZ PHE 6 HZ PHE 6 -1.105 9.179 -3.565 57 H ARG 7 HN ARG 7 -5.944 4.668 -1.176 58 HA ARG 7 HA ARG 7 -3.316 4.739 -0.129 59 HB2 ARG 7 HB2 ARG 7 -5.879 3.631 1.029 60 HB3 ARG 7 HB1 ARG 7 -4.381 3.826 1.937 61 HG2 ARG 7 HG2 ARG 7 -4.395 6.240 1.486 62 HG3 ARG 7 HG1 ARG 7 -5.869 6.064 0.536 63 HD2 ARG 7 HD2 ARG 7 -5.617 5.316 3.462 64 HD3 ARG 7 HD1 ARG 7 -6.310 6.826 2.874 65 HE ARG 7 HE ARG 7 -7.679 4.792 1.568 66 HH11 ARG 7 HH21 ARG 7 -7.081 5.843 4.809 67 HH12 ARG 7 HH22 ARG 7 -8.580 5.237 5.429 68 HH21 ARG 7 HH11 ARG 7 -9.644 3.990 2.375 69 HH22 ARG 7 HH12 ARG 7 -10.031 4.187 4.051 70 H GLY 8 HN GLY 8 -5.381 2.080 -1.201 71 HA2 GLY 8 HA2 GLY 8 -3.899 -0.061 -0.113 72 HA3 GLY 8 HA1 GLY 8 -4.967 -0.155 -1.510 73 H ILE 9 HN ILE 9 -3.526 1.839 -3.043 74 HA ILE 9 HA ILE 9 -1.657 0.151 -4.356 75 HB ILE 9 HB ILE 9 -2.135 3.133 -4.564 76 HG12 ILE 9 HG12 ILE 9 -2.806 0.886 -6.485 77 HG13 ILE 9 HG11 ILE 9 -3.939 1.492 -5.278 78 HG21 ILE 9 HG21 ILE 9 -0.881 2.713 -6.825 79 HG22 ILE 9 HG22 ILE 9 -0.215 1.302 -6.004 80 HG23 ILE 9 HG23 ILE 9 0.071 2.917 -5.356 81 HD11 ILE 9 HD11 ILE 9 -3.785 3.747 -6.245 82 HD12 ILE 9 HD12 ILE 9 -4.289 2.586 -7.472 83 HD13 ILE 9 HD13 ILE 9 -2.623 3.167 -7.437 84 H VAL 10 HN VAL 10 -1.276 2.883 -2.127 85 HA VAL 10 HA VAL 10 1.557 2.944 -2.175 86 HB VAL 10 HB VAL 10 -0.377 3.833 -0.021 87 HG11 VAL 10 HG11 VAL 10 2.571 4.381 -0.461 88 HG12 VAL 10 HG12 VAL 10 1.832 3.603 0.938 89 HG13 VAL 10 HG13 VAL 10 1.554 5.318 0.635 90 HG21 VAL 10 HG21 VAL 10 0.093 6.087 -1.047 91 HG22 VAL 10 HG22 VAL 10 -0.788 4.990 -2.110 92 HG23 VAL 10 HG23 VAL 10 0.938 5.257 -2.353 93 H HIS 11 HN HIS 11 -0.766 1.335 -0.026 94 HA HIS 11 HA HIS 11 1.135 0.242 1.760 95 HB2 HIS 11 HB2 HIS 11 -1.665 -0.609 1.015 96 HB3 HIS 11 HB1 HIS 11 -0.720 -1.412 2.268 97 HD2 HIS 11 HD2 HIS 11 -3.319 1.189 2.293 98 HE1 HIS 11 HE1 HIS 11 -0.606 2.529 5.238 99 HE2 HIS 11 HE2 HIS 11 -2.950 2.813 4.304 100 H ALA 12 HN ALA 12 -0.451 -1.132 -1.120 101 HA ALA 12 HA ALA 12 0.757 -3.669 -1.022 102 HB1 ALA 12 HB1 ALA 12 -1.149 -3.180 -2.481 103 HB2 ALA 12 HB2 ALA 12 0.205 -3.797 -3.429 104 HB3 ALA 12 HB3 ALA 12 -0.154 -2.070 -3.426 105 H GLY 13 HN GLY 13 1.958 -0.572 -2.044 106 HA2 GLY 13 HA2 GLY 13 4.174 -1.519 -3.601 107 HA3 GLY 13 HA1 GLY 13 3.975 0.105 -2.950 108 H ARG 14 HN ARG 14 3.640 -0.560 -0.290 109 HA ARG 14 HA ARG 14 6.318 -0.646 0.619 110 HB2 ARG 14 HB2 ARG 14 3.692 -0.912 2.087 111 HB3 ARG 14 HB1 ARG 14 5.255 -0.894 2.906 112 HG2 ARG 14 HG2 ARG 14 5.767 1.301 1.989 113 HG3 ARG 14 HG1 ARG 14 4.284 1.282 1.034 114 HD2 ARG 14 HD2 ARG 14 3.991 2.609 3.094 115 HD3 ARG 14 HD1 ARG 14 2.940 1.195 3.091 116 HE ARG 14 HE ARG 14 5.426 0.627 4.383 117 HH11 ARG 14 HH21 ARG 14 2.395 2.258 4.733 118 HH12 ARG 14 HH22 ARG 14 2.344 2.088 6.457 119 HH21 ARG 14 HH11 ARG 14 5.362 0.391 6.642 120 HH22 ARG 14 HH12 ARG 14 4.024 1.031 7.536 121 H SER 15 HN SER 15 3.802 -3.151 0.499 122 HA SER 15 HA SER 15 5.165 -5.110 2.014 123 HB2 SER 15 HB2 SER 15 2.861 -5.476 1.609 124 HB3 SER 15 HB1 SER 15 3.049 -5.249 -0.126 125 HG SER 15 HG SER 15 3.818 -7.421 1.500 126 H ILE 16 HN ILE 16 5.037 -4.526 -1.474 127 HA ILE 16 HA ILE 16 6.832 -6.663 -2.130 128 HB ILE 16 HB ILE 16 6.913 -5.622 -4.384 129 HG12 ILE 16 HG12 ILE 16 5.171 -3.526 -3.061 130 HG13 ILE 16 HG11 ILE 16 6.788 -3.265 -3.707 131 HG21 ILE 16 HG21 ILE 16 4.595 -6.058 -4.911 132 HG22 ILE 16 HG22 ILE 16 4.104 -5.725 -3.249 133 HG23 ILE 16 HG23 ILE 16 5.066 -7.157 -3.615 134 HD11 ILE 16 HD11 ILE 16 5.310 -2.508 -5.411 135 HD12 ILE 16 HD12 ILE 16 4.267 -3.920 -5.234 136 HD13 ILE 16 HD13 ILE 16 5.870 -4.091 -5.948 137 H GLY 17 HN GLY 17 7.216 -3.174 -1.678 138 HA2 GLY 17 HA2 GLY 17 9.942 -3.017 -2.426 139 HA3 GLY 17 HA1 GLY 17 9.082 -1.857 -1.418 140 H ARG 18 HN ARG 18 8.323 -3.773 0.601 141 HA ARG 18 HA ARG 18 10.561 -3.576 2.321 142 HB2 ARG 18 HB2 ARG 18 8.210 -3.744 3.117 143 HB3 ARG 18 HB1 ARG 18 8.172 -5.423 2.581 144 HG2 ARG 18 HG2 ARG 18 10.072 -5.934 4.102 145 HG3 ARG 18 HG1 ARG 18 10.047 -4.263 4.665 146 HD2 ARG 18 HD2 ARG 18 7.672 -6.132 4.831 147 HD3 ARG 18 HD1 ARG 18 8.807 -5.875 6.152 148 HE ARG 18 HE ARG 18 7.887 -3.358 5.330 149 HH11 ARG 18 HH21 ARG 18 6.697 -6.305 6.698 150 HH12 ARG 18 HH22 ARG 18 5.428 -5.539 7.595 151 HH21 ARG 18 HH11 ARG 18 6.228 -2.345 6.508 152 HH22 ARG 18 HH12 ARG 18 5.163 -3.297 7.488 153 H PHE 19 HN PHE 19 9.220 -6.288 0.470 154 HA PHE 19 HA PHE 19 11.011 -8.268 1.380 155 HB2 PHE 19 HB2 PHE 19 8.836 -8.563 0.036 156 HB3 PHE 19 HB1 PHE 19 9.815 -8.221 -1.390 157 HD1 PHE 19 HD2 PHE 19 11.589 -9.766 -2.106 158 HD2 PHE 19 HD1 PHE 19 9.170 -10.588 1.347 159 HE1 PHE 19 HE2 PHE 19 12.406 -12.108 -2.092 160 HE2 PHE 19 HE1 PHE 19 9.987 -12.929 1.362 161 HZ PHE 19 HZ PHE 19 11.604 -13.688 -0.358 162 H LEU 20 HN LEU 20 11.218 -5.884 -1.198 163 HA LEU 20 HA LEU 20 13.441 -6.887 -2.572 164 HB2 LEU 20 HB2 LEU 20 12.039 -5.024 -3.398 165 HB3 LEU 20 HB1 LEU 20 12.674 -3.990 -2.121 166 HG LEU 20 HG LEU 20 14.958 -4.269 -3.032 167 HD11 LEU 20 HD11 LEU 20 13.511 -6.119 -4.911 168 HD12 LEU 20 HD12 LEU 20 15.076 -6.322 -4.124 169 HD13 LEU 20 HD13 LEU 20 14.920 -5.235 -5.500 170 HD21 LEU 20 HD21 LEU 20 13.417 -2.428 -3.786 171 HD22 LEU 20 HD22 LEU 20 12.993 -3.421 -5.181 172 HD23 LEU 20 HD23 LEU 20 14.650 -2.853 -4.972 173 H THR 21 HN THR 21 13.249 -4.813 0.307 174 HA THR 21 HA THR 21 15.982 -4.184 0.514 175 HB THR 21 HB THR 21 15.528 -3.609 2.803 176 HG1 THR 21 HG1 THR 21 13.842 -5.697 2.588 177 HG21 THR 21 HG21 THR 21 13.714 -2.112 2.523 178 HG22 THR 21 HG22 THR 21 12.891 -3.193 1.400 179 HG23 THR 21 HG23 THR 21 14.349 -2.341 0.892 180 H GLY 22 HN GLY 22 14.120 -6.914 1.827 181 HA2 GLY 22 HA2 GLY 22 14.835 -9.068 2.308 182 HA3 GLY 22 HA1 GLY 22 16.451 -8.616 1.770 183 HN1 NH2 23 HT1 GLY 22 16.197 -6.842 5.363 184 HN2 NH2 23 HT2 GLY 22 15.530 -6.219 3.892 Start of MODEL 8 1 H1 PHE 1 HT1 PHE 1 -15.099 5.654 0.851 2 H2 PHE 1 HT2 PHE 1 -13.516 5.384 1.404 3 H3 PHE 1 HT3 PHE 1 -14.837 4.726 2.248 4 HA PHE 1 HA PHE 1 -14.024 2.918 1.082 5 HB2 PHE 1 HB2 PHE 1 -16.509 3.544 0.709 6 HB3 PHE 1 HB1 PHE 1 -16.005 4.053 -0.900 7 HD1 PHE 1 HD2 PHE 1 -15.495 1.158 1.441 8 HD2 PHE 1 HD1 PHE 1 -16.141 2.453 -2.605 9 HE1 PHE 1 HE2 PHE 1 -15.551 -1.207 0.692 10 HE2 PHE 1 HE1 PHE 1 -16.197 0.089 -3.353 11 HZ PHE 1 HZ PHE 1 -15.903 -1.740 -1.704 12 H ILE 2 HN ILE 2 -14.158 5.808 -0.962 13 HA ILE 2 HA ILE 2 -12.693 4.739 -3.141 14 HB ILE 2 HB ILE 2 -12.874 7.638 -2.286 15 HG12 ILE 2 HG12 ILE 2 -15.118 6.713 -2.415 16 HG13 ILE 2 HG11 ILE 2 -14.834 7.711 -3.837 17 HG21 ILE 2 HG21 ILE 2 -12.288 6.245 -4.909 18 HG22 ILE 2 HG22 ILE 2 -11.224 7.322 -4.005 19 HG23 ILE 2 HG23 ILE 2 -12.668 7.964 -4.788 20 HD11 ILE 2 HD11 ILE 2 -15.817 5.792 -4.744 21 HD12 ILE 2 HD12 ILE 2 -14.979 4.714 -3.631 22 HD13 ILE 2 HD13 ILE 2 -14.099 5.464 -4.965 23 H HIS 3 HN HIS 3 -11.706 6.539 -0.243 24 HA HIS 3 HA HIS 3 -9.042 7.000 -0.866 25 HB2 HIS 3 HB2 HIS 3 -10.327 6.308 1.782 26 HB3 HIS 3 HB1 HIS 3 -8.657 6.861 1.627 27 HD2 HIS 3 HD2 HIS 3 -8.374 9.611 0.947 28 HE1 HIS 3 HE1 HIS 3 -12.493 10.527 1.079 29 HE2 HIS 3 HE2 HIS 3 -10.161 11.516 0.903 30 H HIS 4 HN HIS 4 -10.526 4.042 0.483 31 HA HIS 4 HA HIS 4 -8.307 2.557 1.030 32 HB2 HIS 4 HB2 HIS 4 -10.932 1.696 -0.173 33 HB3 HIS 4 HB1 HIS 4 -9.719 0.560 0.410 34 HD2 HIS 4 HD2 HIS 4 -11.690 3.640 2.025 35 HE1 HIS 4 HE1 HIS 4 -10.983 0.714 4.985 36 HE2 HIS 4 HE2 HIS 4 -12.067 2.963 4.519 37 H ILE 5 HN ILE 5 -9.710 3.094 -2.215 38 HA ILE 5 HA ILE 5 -8.185 1.161 -3.567 39 HB ILE 5 HB ILE 5 -9.194 3.829 -4.581 40 HG12 ILE 5 HG12 ILE 5 -10.538 1.108 -4.634 41 HG13 ILE 5 HG11 ILE 5 -10.923 2.375 -3.471 42 HG21 ILE 5 HG21 ILE 5 -8.458 1.250 -5.999 43 HG22 ILE 5 HG22 ILE 5 -7.615 2.794 -6.126 44 HG23 ILE 5 HG23 ILE 5 -9.248 2.625 -6.769 45 HD11 ILE 5 HD11 ILE 5 -11.315 3.883 -5.541 46 HD12 ILE 5 HD12 ILE 5 -12.533 2.664 -5.171 47 HD13 ILE 5 HD13 ILE 5 -11.360 2.374 -6.455 48 H PHE 6 HN PHE 6 -7.603 4.631 -3.014 49 HA PHE 6 HA PHE 6 -5.063 4.666 -4.323 50 HB2 PHE 6 HB2 PHE 6 -6.400 6.577 -2.402 51 HB3 PHE 6 HB1 PHE 6 -4.825 6.886 -3.133 52 HD1 PHE 6 HD1 PHE 6 -8.439 6.517 -3.771 53 HD2 PHE 6 HD2 PHE 6 -4.599 7.327 -5.519 54 HE1 PHE 6 HE1 PHE 6 -9.549 7.324 -5.837 55 HE2 PHE 6 HE2 PHE 6 -5.709 8.134 -7.583 56 HZ PHE 6 HZ PHE 6 -8.184 8.134 -7.743 57 H ARG 7 HN ARG 7 -6.119 4.302 -0.990 58 HA ARG 7 HA ARG 7 -3.576 4.457 0.238 59 HB2 ARG 7 HB2 ARG 7 -5.724 4.674 1.467 60 HB3 ARG 7 HB1 ARG 7 -6.014 2.956 1.201 61 HG2 ARG 7 HG2 ARG 7 -3.965 2.387 2.421 62 HG3 ARG 7 HG1 ARG 7 -3.610 4.099 2.648 63 HD2 ARG 7 HD2 ARG 7 -6.122 2.740 3.661 64 HD3 ARG 7 HD1 ARG 7 -4.684 3.016 4.642 65 HE ARG 7 HE ARG 7 -6.659 4.975 3.925 66 HH11 ARG 7 HH21 ARG 7 -3.307 4.422 4.586 67 HH12 ARG 7 HH22 ARG 7 -3.003 6.038 5.128 68 HH21 ARG 7 HH11 ARG 7 -6.267 7.101 4.635 69 HH22 ARG 7 HH12 ARG 7 -4.680 7.554 5.155 70 H GLY 8 HN GLY 8 -5.383 1.754 -1.153 71 HA2 GLY 8 HA2 GLY 8 -3.694 -0.318 -0.171 72 HA3 GLY 8 HA1 GLY 8 -4.815 -0.440 -1.523 73 H ILE 9 HN ILE 9 -3.676 1.653 -3.115 74 HA ILE 9 HA ILE 9 -1.721 0.176 -4.532 75 HB ILE 9 HB ILE 9 -2.494 3.096 -4.662 76 HG12 ILE 9 HG12 ILE 9 -3.061 0.823 -6.584 77 HG13 ILE 9 HG11 ILE 9 -4.168 1.288 -5.290 78 HG21 ILE 9 HG21 ILE 9 -1.354 2.908 -6.965 79 HG22 ILE 9 HG22 ILE 9 -0.555 1.474 -6.320 80 HG23 ILE 9 HG23 ILE 9 -0.299 3.046 -5.560 81 HD11 ILE 9 HD11 ILE 9 -4.224 3.599 -6.216 82 HD12 ILE 9 HD12 ILE 9 -4.823 2.405 -7.366 83 HD13 ILE 9 HD13 ILE 9 -3.198 3.067 -7.544 84 H VAL 10 HN VAL 10 -1.379 3.066 -2.462 85 HA VAL 10 HA VAL 10 1.450 3.177 -2.673 86 HB VAL 10 HB VAL 10 1.301 4.681 -0.685 87 HG11 VAL 10 HG11 VAL 10 -0.642 5.081 -2.976 88 HG12 VAL 10 HG12 VAL 10 1.015 5.675 -2.866 89 HG13 VAL 10 HG13 VAL 10 -0.236 6.349 -1.820 90 HG21 VAL 10 HG21 VAL 10 -1.615 3.885 -0.860 91 HG22 VAL 10 HG22 VAL 10 -1.016 5.240 0.094 92 HG23 VAL 10 HG23 VAL 10 -0.531 3.594 0.502 93 H HIS 11 HN HIS 11 -0.725 1.656 -0.339 94 HA HIS 11 HA HIS 11 1.287 0.852 1.501 95 HB2 HIS 11 HB2 HIS 11 -1.098 0.940 2.096 96 HB3 HIS 11 HB1 HIS 11 -1.428 -0.375 0.967 97 HD2 HIS 11 HD2 HIS 11 -1.296 -2.839 2.194 98 HE1 HIS 11 HE1 HIS 11 1.199 -1.778 5.429 99 HE2 HIS 11 HE2 HIS 11 -0.134 -3.667 4.381 100 H ALA 12 HN ALA 12 -0.316 -0.819 -1.187 101 HA ALA 12 HA ALA 12 0.968 -3.306 -0.915 102 HB1 ALA 12 HB1 ALA 12 0.096 -2.062 -3.525 103 HB2 ALA 12 HB2 ALA 12 -1.034 -2.772 -2.371 104 HB3 ALA 12 HB3 ALA 12 0.204 -3.776 -3.127 105 H GLY 13 HN GLY 13 2.097 -0.279 -2.155 106 HA2 GLY 13 HA2 GLY 13 4.256 -1.339 -3.746 107 HA3 GLY 13 HA1 GLY 13 4.054 0.340 -3.252 108 H ARG 14 HN ARG 14 3.930 0.044 -0.532 109 HA ARG 14 HA ARG 14 6.625 0.093 0.235 110 HB2 ARG 14 HB2 ARG 14 4.216 -0.426 2.001 111 HB3 ARG 14 HB1 ARG 14 5.815 0.056 2.560 112 HG2 ARG 14 HG2 ARG 14 4.270 1.710 0.563 113 HG3 ARG 14 HG1 ARG 14 4.039 1.911 2.297 114 HD2 ARG 14 HD2 ARG 14 6.567 2.252 2.457 115 HD3 ARG 14 HD1 ARG 14 6.571 2.339 0.697 116 HE ARG 14 HE ARG 14 4.680 4.129 1.958 117 HH11 ARG 14 HH21 ARG 14 7.909 3.611 0.831 118 HH12 ARG 14 HH22 ARG 14 8.265 5.295 0.647 119 HH21 ARG 14 HH11 ARG 14 5.142 6.345 1.727 120 HH22 ARG 14 HH12 ARG 14 6.699 6.844 1.155 121 H SER 15 HN SER 15 4.309 -2.553 0.246 122 HA SER 15 HA SER 15 5.825 -4.390 1.783 123 HB2 SER 15 HB2 SER 15 4.420 -6.113 0.614 124 HB3 SER 15 HB1 SER 15 3.491 -4.829 1.382 125 HG SER 15 HG SER 15 2.811 -4.244 -0.516 126 H ILE 16 HN ILE 16 5.851 -3.513 -1.617 127 HA ILE 16 HA ILE 16 7.410 -5.665 -2.597 128 HB ILE 16 HB ILE 16 7.425 -2.813 -3.614 129 HG12 ILE 16 HG12 ILE 16 5.131 -3.557 -3.416 130 HG13 ILE 16 HG11 ILE 16 5.585 -3.599 -5.114 131 HG21 ILE 16 HG21 ILE 16 9.154 -4.169 -4.634 132 HG22 ILE 16 HG22 ILE 16 7.842 -3.984 -5.797 133 HG23 ILE 16 HG23 ILE 16 8.017 -5.491 -4.899 134 HD11 ILE 16 HD11 ILE 16 6.195 -6.107 -4.616 135 HD12 ILE 16 HD12 ILE 16 4.505 -5.652 -4.834 136 HD13 ILE 16 HD13 ILE 16 5.151 -5.884 -3.211 137 H GLY 17 HN GLY 17 8.362 -2.431 -1.453 138 HA2 GLY 17 HA2 GLY 17 11.135 -2.722 -1.807 139 HA3 GLY 17 HA1 GLY 17 10.367 -1.626 -0.663 140 H ARG 18 HN ARG 18 9.064 -3.464 0.988 141 HA ARG 18 HA ARG 18 11.176 -4.222 2.727 142 HB2 ARG 18 HB2 ARG 18 8.814 -3.661 3.430 143 HB3 ARG 18 HB1 ARG 18 8.323 -5.223 2.783 144 HG2 ARG 18 HG2 ARG 18 8.675 -5.763 5.024 145 HG3 ARG 18 HG1 ARG 18 10.245 -6.164 4.336 146 HD2 ARG 18 HD2 ARG 18 11.134 -3.985 5.037 147 HD3 ARG 18 HD1 ARG 18 9.550 -3.520 5.652 148 HE ARG 18 HE ARG 18 9.933 -4.855 7.522 149 HH11 ARG 18 HH21 ARG 18 12.231 -5.494 5.017 150 HH12 ARG 18 HH22 ARG 18 13.260 -6.464 6.017 151 HH21 ARG 18 HH11 ARG 18 11.279 -6.122 8.842 152 HH22 ARG 18 HH12 ARG 18 12.720 -6.820 8.184 153 H PHE 19 HN PHE 19 9.076 -6.060 0.535 154 HA PHE 19 HA PHE 19 10.025 -8.635 1.178 155 HB2 PHE 19 HB2 PHE 19 7.968 -8.107 -0.172 156 HB3 PHE 19 HB1 PHE 19 9.031 -7.717 -1.527 157 HD1 PHE 19 HD1 PHE 19 10.373 -9.459 -2.623 158 HD2 PHE 19 HD2 PHE 19 7.708 -10.395 0.612 159 HE1 PHE 19 HE1 PHE 19 10.540 -11.870 -3.183 160 HE2 PHE 19 HE2 PHE 19 7.875 -12.805 0.053 161 HZ PHE 19 HZ PHE 19 9.291 -13.543 -1.845 162 H LEU 20 HN LEU 20 11.195 -6.161 -1.045 163 HA LEU 20 HA LEU 20 13.036 -7.709 -2.480 164 HB2 LEU 20 HB2 LEU 20 12.397 -5.393 -3.101 165 HB3 LEU 20 HB1 LEU 20 13.283 -4.790 -1.704 166 HG LEU 20 HG LEU 20 15.368 -5.802 -2.622 167 HD11 LEU 20 HD11 LEU 20 14.755 -7.586 -4.002 168 HD12 LEU 20 HD12 LEU 20 15.137 -6.347 -5.190 169 HD13 LEU 20 HD13 LEU 20 13.455 -6.678 -4.778 170 HD21 LEU 20 HD21 LEU 20 14.976 -3.478 -3.092 171 HD22 LEU 20 HD22 LEU 20 13.833 -3.871 -4.377 172 HD23 LEU 20 HD23 LEU 20 15.550 -4.217 -4.587 173 H THR 21 HN THR 21 13.285 -6.119 0.663 174 HA THR 21 HA THR 21 16.052 -6.412 1.053 175 HB THR 21 HB THR 21 13.932 -6.564 3.201 176 HG1 THR 21 HG1 THR 21 14.352 -4.659 1.443 177 HG21 THR 21 HG21 THR 21 16.805 -5.596 3.183 178 HG22 THR 21 HG22 THR 21 16.206 -7.066 3.952 179 HG23 THR 21 HG23 THR 21 15.707 -5.488 4.559 180 H GLY 22 HN GLY 22 13.351 -8.578 1.881 181 HA2 GLY 22 HA2 GLY 22 15.038 -10.598 3.020 182 HA3 GLY 22 HA1 GLY 22 13.337 -10.775 2.601 183 HN1 NH2 23 HT1 GLY 22 15.149 -11.005 -0.975 184 HN2 NH2 23 HT2 GLY 22 14.790 -9.537 -0.129 Start of MODEL 9 1 H1 PHE 1 HT1 PHE 1 -14.875 5.194 2.135 2 H2 PHE 1 HT2 PHE 1 -15.072 5.949 0.626 3 H3 PHE 1 HT3 PHE 1 -13.529 5.846 1.331 4 HA PHE 1 HA PHE 1 -13.776 3.357 1.216 5 HB2 PHE 1 HB2 PHE 1 -16.049 4.241 -0.586 6 HB3 PHE 1 HB1 PHE 1 -15.385 2.607 -0.552 7 HD1 PHE 1 HD2 PHE 1 -15.511 1.253 1.561 8 HD2 PHE 1 HD1 PHE 1 -17.534 5.017 1.121 9 HE1 PHE 1 HE2 PHE 1 -16.945 0.710 3.510 10 HE2 PHE 1 HE1 PHE 1 -18.967 4.474 3.070 11 HZ PHE 1 HZ PHE 1 -18.673 2.321 4.265 12 H ILE 2 HN ILE 2 -14.038 6.075 -1.003 13 HA ILE 2 HA ILE 2 -12.654 4.960 -3.192 14 HB ILE 2 HB ILE 2 -13.981 7.062 -3.280 15 HG12 ILE 2 HG12 ILE 2 -11.094 7.546 -4.055 16 HG13 ILE 2 HG11 ILE 2 -12.147 6.446 -4.944 17 HG21 ILE 2 HG21 ILE 2 -11.582 8.357 -1.970 18 HG22 ILE 2 HG22 ILE 2 -13.021 7.893 -1.062 19 HG23 ILE 2 HG23 ILE 2 -13.138 9.093 -2.348 20 HD11 ILE 2 HD11 ILE 2 -12.004 8.861 -5.815 21 HD12 ILE 2 HD12 ILE 2 -12.939 9.309 -4.387 22 HD13 ILE 2 HD13 ILE 2 -13.621 8.200 -5.578 23 H HIS 3 HN HIS 3 -11.529 6.695 -0.316 24 HA HIS 3 HA HIS 3 -8.859 7.069 -1.030 25 HB2 HIS 3 HB2 HIS 3 -10.051 6.461 1.691 26 HB3 HIS 3 HB1 HIS 3 -8.404 7.037 1.430 27 HD2 HIS 3 HD2 HIS 3 -11.610 8.640 2.326 28 HE1 HIS 3 HE1 HIS 3 -9.783 11.471 -0.216 29 HE2 HIS 3 HE2 HIS 3 -11.640 11.109 1.477 30 H HIS 4 HN HIS 4 -10.425 4.206 0.429 31 HA HIS 4 HA HIS 4 -8.278 2.638 0.976 32 HB2 HIS 4 HB2 HIS 4 -10.668 2.023 1.326 33 HB3 HIS 4 HB1 HIS 4 -10.794 1.694 -0.402 34 HD2 HIS 4 HD2 HIS 4 -10.011 -0.870 -1.102 35 HE1 HIS 4 HE1 HIS 4 -7.986 -1.853 2.470 36 HE2 HIS 4 HE2 HIS 4 -8.763 -2.743 0.222 37 H ILE 5 HN ILE 5 -9.695 3.145 -2.291 38 HA ILE 5 HA ILE 5 -8.173 1.174 -3.616 39 HB ILE 5 HB ILE 5 -9.333 3.802 -4.567 40 HG12 ILE 5 HG12 ILE 5 -10.335 0.964 -4.940 41 HG13 ILE 5 HG11 ILE 5 -10.883 2.021 -3.639 42 HG21 ILE 5 HG21 ILE 5 -7.646 3.162 -6.162 43 HG22 ILE 5 HG22 ILE 5 -9.193 2.653 -6.834 44 HG23 ILE 5 HG23 ILE 5 -8.128 1.468 -6.079 45 HD11 ILE 5 HD11 ILE 5 -11.697 3.658 -5.253 46 HD12 ILE 5 HD12 ILE 5 -12.399 2.083 -5.621 47 HD13 ILE 5 HD13 ILE 5 -11.058 2.700 -6.588 48 H PHE 6 HN PHE 6 -7.569 4.654 -3.089 49 HA PHE 6 HA PHE 6 -5.050 4.646 -4.439 50 HB2 PHE 6 HB2 PHE 6 -6.353 6.589 -2.529 51 HB3 PHE 6 HB1 PHE 6 -4.775 6.876 -3.264 52 HD1 PHE 6 HD1 PHE 6 -4.550 7.198 -5.691 53 HD2 PHE 6 HD2 PHE 6 -8.393 6.640 -3.855 54 HE1 PHE 6 HE1 PHE 6 -5.655 8.007 -7.760 55 HE2 PHE 6 HE2 PHE 6 -9.498 7.448 -5.924 56 HZ PHE 6 HZ PHE 6 -8.129 8.130 -7.876 57 H ARG 7 HN ARG 7 -6.050 4.411 -1.064 58 HA ARG 7 HA ARG 7 -3.439 4.464 0.052 59 HB2 ARG 7 HB2 ARG 7 -6.046 3.356 1.119 60 HB3 ARG 7 HB1 ARG 7 -4.568 3.497 2.068 61 HG2 ARG 7 HG2 ARG 7 -5.617 5.924 0.627 62 HG3 ARG 7 HG1 ARG 7 -6.375 5.426 2.136 63 HD2 ARG 7 HD2 ARG 7 -3.423 6.014 1.763 64 HD3 ARG 7 HD1 ARG 7 -4.591 7.071 2.549 65 HE ARG 7 HE ARG 7 -3.396 4.679 3.667 66 HH11 ARG 7 HH21 ARG 7 -6.019 6.934 3.730 67 HH12 ARG 7 HH22 ARG 7 -6.441 6.609 5.379 68 HH21 ARG 7 HH11 ARG 7 -3.942 4.246 5.829 69 HH22 ARG 7 HH12 ARG 7 -5.265 5.087 6.566 70 H GLY 8 HN GLY 8 -5.503 1.855 -1.139 71 HA2 GLY 8 HA2 GLY 8 -4.024 -0.326 -0.085 72 HA3 GLY 8 HA1 GLY 8 -5.110 -0.379 -1.472 73 H ILE 9 HN ILE 9 -3.750 1.579 -3.032 74 HA ILE 9 HA ILE 9 -1.849 -0.074 -4.357 75 HB ILE 9 HB ILE 9 -2.454 2.881 -4.622 76 HG12 ILE 9 HG12 ILE 9 -3.078 0.578 -6.490 77 HG13 ILE 9 HG11 ILE 9 -4.198 1.122 -5.242 78 HG21 ILE 9 HG21 ILE 9 -0.584 1.070 -6.166 79 HG22 ILE 9 HG22 ILE 9 -0.226 2.635 -5.435 80 HG23 ILE 9 HG23 ILE 9 -1.251 2.547 -6.866 81 HD11 ILE 9 HD11 ILE 9 -4.385 3.293 -6.228 82 HD12 ILE 9 HD12 ILE 9 -4.546 2.143 -7.553 83 HD13 ILE 9 HD13 ILE 9 -3.023 2.995 -7.304 84 H VAL 10 HN VAL 10 -1.516 2.754 -2.238 85 HA VAL 10 HA VAL 10 1.321 2.860 -2.351 86 HB VAL 10 HB VAL 10 -0.596 3.895 -0.248 87 HG11 VAL 10 HG11 VAL 10 1.626 3.746 0.708 88 HG12 VAL 10 HG12 VAL 10 1.331 5.431 0.286 89 HG13 VAL 10 HG13 VAL 10 2.346 4.429 -0.750 90 HG21 VAL 10 HG21 VAL 10 0.795 5.316 -2.539 91 HG22 VAL 10 HG22 VAL 10 -0.384 6.011 -1.427 92 HG23 VAL 10 HG23 VAL 10 -0.883 4.776 -2.582 93 H HIS 11 HN HIS 11 -0.950 1.393 -0.054 94 HA HIS 11 HA HIS 11 1.004 0.451 1.770 95 HB2 HIS 11 HB2 HIS 11 -1.417 0.649 2.297 96 HB3 HIS 11 HB1 HIS 11 -1.738 -0.699 1.205 97 HD2 HIS 11 HD2 HIS 11 -1.160 -3.237 2.270 98 HE1 HIS 11 HE1 HIS 11 0.407 -1.892 5.952 99 HE2 HIS 11 HE2 HIS 11 -0.313 -3.942 4.637 100 H ALA 12 HN ALA 12 -0.683 -1.140 -0.932 101 HA ALA 12 HA ALA 12 0.575 -3.659 -0.651 102 HB1 ALA 12 HB1 ALA 12 -1.503 -3.198 -1.987 103 HB2 ALA 12 HB2 ALA 12 -0.287 -4.146 -2.844 104 HB3 ALA 12 HB3 ALA 12 -0.481 -2.431 -3.204 105 H GLY 13 HN GLY 13 1.587 -0.666 -2.098 106 HA2 GLY 13 HA2 GLY 13 3.685 -1.787 -3.729 107 HA3 GLY 13 HA1 GLY 13 3.461 -0.083 -3.346 108 H ARG 14 HN ARG 14 3.633 0.076 -0.715 109 HA ARG 14 HA ARG 14 6.328 0.106 -0.110 110 HB2 ARG 14 HB2 ARG 14 4.578 1.278 1.218 111 HB3 ARG 14 HB1 ARG 14 4.091 -0.275 1.898 112 HG2 ARG 14 HG2 ARG 14 6.365 -0.585 2.820 113 HG3 ARG 14 HG1 ARG 14 6.848 0.971 2.144 114 HD2 ARG 14 HD2 ARG 14 4.596 0.594 4.136 115 HD3 ARG 14 HD1 ARG 14 6.228 1.098 4.562 116 HE ARG 14 HE ARG 14 5.259 2.823 2.557 117 HH11 ARG 14 HH21 ARG 14 4.705 1.935 5.855 118 HH12 ARG 14 HH22 ARG 14 4.101 3.491 6.317 119 HH21 ARG 14 HH11 ARG 14 4.468 4.866 3.155 120 HH22 ARG 14 HH12 ARG 14 3.967 5.151 4.789 121 H SER 15 HN SER 15 4.025 -2.513 0.254 122 HA SER 15 HA SER 15 5.589 -4.229 1.867 123 HB2 SER 15 HB2 SER 15 3.209 -4.621 1.528 124 HB3 SER 15 HB1 SER 15 3.473 -4.894 -0.192 125 HG SER 15 HG SER 15 4.494 -6.762 0.256 126 H ILE 16 HN ILE 16 5.432 -3.711 -1.594 127 HA ILE 16 HA ILE 16 7.008 -5.923 -2.410 128 HB ILE 16 HB ILE 16 6.846 -3.233 -3.791 129 HG12 ILE 16 HG12 ILE 16 4.593 -3.990 -3.344 130 HG13 ILE 16 HG11 ILE 16 4.940 -4.282 -5.041 131 HG21 ILE 16 HG21 ILE 16 7.236 -4.594 -5.814 132 HG22 ILE 16 HG22 ILE 16 7.326 -6.046 -4.819 133 HG23 ILE 16 HG23 ILE 16 8.558 -4.794 -4.663 134 HD11 ILE 16 HD11 ILE 16 4.732 -6.266 -2.789 135 HD12 ILE 16 HD12 ILE 16 5.660 -6.664 -4.234 136 HD13 ILE 16 HD13 ILE 16 3.941 -6.294 -4.362 137 H GLY 17 HN GLY 17 7.883 -2.581 -1.583 138 HA2 GLY 17 HA2 GLY 17 10.639 -2.781 -2.157 139 HA3 GLY 17 HA1 GLY 17 9.907 -1.624 -1.049 140 H ARG 18 HN ARG 18 8.762 -3.620 0.716 141 HA ARG 18 HA ARG 18 10.902 -3.963 2.523 142 HB2 ARG 18 HB2 ARG 18 8.169 -5.229 2.374 143 HB3 ARG 18 HB1 ARG 18 9.289 -5.533 3.703 144 HG2 ARG 18 HG2 ARG 18 9.389 -3.101 4.161 145 HG3 ARG 18 HG1 ARG 18 8.248 -2.814 2.848 146 HD2 ARG 18 HD2 ARG 18 6.567 -4.206 4.004 147 HD3 ARG 18 HD1 ARG 18 7.707 -4.491 5.314 148 HE ARG 18 HE ARG 18 7.290 -1.691 4.853 149 HH11 ARG 18 HH21 ARG 18 5.975 -4.558 6.276 150 HH12 ARG 18 HH22 ARG 18 5.070 -3.710 7.484 151 HH21 ARG 18 HH11 ARG 18 6.105 -0.571 6.435 152 HH22 ARG 18 HH12 ARG 18 5.144 -1.452 7.574 153 H PHE 19 HN PHE 19 9.323 -6.258 0.308 154 HA PHE 19 HA PHE 19 10.818 -8.535 1.074 155 HB2 PHE 19 HB2 PHE 19 9.355 -7.810 -1.466 156 HB3 PHE 19 HB1 PHE 19 10.161 -9.364 -1.249 157 HD1 PHE 19 HD2 PHE 19 9.621 -10.580 1.051 158 HD2 PHE 19 HD1 PHE 19 7.106 -7.643 -0.816 159 HE1 PHE 19 HE2 PHE 19 7.675 -11.436 2.327 160 HE2 PHE 19 HE1 PHE 19 5.159 -8.498 0.459 161 HZ PHE 19 HZ PHE 19 5.443 -10.395 2.031 162 H LEU 20 HN LEU 20 11.419 -5.940 -1.233 163 HA LEU 20 HA LEU 20 13.574 -7.085 -2.612 164 HB2 LEU 20 HB2 LEU 20 12.463 -5.004 -3.337 165 HB3 LEU 20 HB1 LEU 20 13.121 -4.165 -1.934 166 HG LEU 20 HG LEU 20 15.425 -4.672 -2.744 167 HD11 LEU 20 HD11 LEU 20 15.290 -6.602 -4.061 168 HD12 LEU 20 HD12 LEU 20 15.445 -5.345 -5.282 169 HD13 LEU 20 HD13 LEU 20 13.861 -6.036 -4.928 170 HD21 LEU 20 HD21 LEU 20 13.527 -3.203 -4.590 171 HD22 LEU 20 HD22 LEU 20 15.277 -3.179 -4.802 172 HD23 LEU 20 HD23 LEU 20 14.561 -2.523 -3.332 173 H THR 21 HN THR 21 13.440 -5.345 0.467 174 HA THR 21 HA THR 21 16.116 -4.863 0.933 175 HB THR 21 HB THR 21 14.107 -5.855 2.968 176 HG1 THR 21 HG1 THR 21 13.980 -3.474 3.256 177 HG21 THR 21 HG21 THR 21 16.189 -5.865 4.050 178 HG22 THR 21 HG22 THR 21 15.566 -4.255 4.409 179 HG23 THR 21 HG23 THR 21 16.776 -4.469 3.145 180 H GLY 22 HN GLY 22 17.565 -6.061 2.486 181 HA2 GLY 22 HA2 GLY 22 17.590 -8.619 3.272 182 HA3 GLY 22 HA1 GLY 22 17.876 -8.802 1.544 183 HN1 NH2 23 HT1 GLY 22 20.776 -6.256 2.650 184 HN2 NH2 23 HT2 GLY 22 19.130 -5.818 2.336 Start of MODEL 10 1 H1 PHE 1 HT1 PHE 1 -15.052 5.940 1.269 2 H2 PHE 1 HT2 PHE 1 -13.361 5.886 1.114 3 H3 PHE 1 HT3 PHE 1 -14.131 5.023 2.359 4 HA PHE 1 HA PHE 1 -14.080 3.262 1.029 5 HB2 PHE 1 HB2 PHE 1 -16.051 4.989 -0.494 6 HB3 PHE 1 HB1 PHE 1 -15.826 3.261 -0.774 7 HD1 PHE 1 HD2 PHE 1 -16.238 1.637 1.121 8 HD2 PHE 1 HD1 PHE 1 -17.344 5.781 1.345 9 HE1 PHE 1 HE2 PHE 1 -17.760 1.128 3.012 10 HE2 PHE 1 HE1 PHE 1 -18.866 5.273 3.235 11 HZ PHE 1 HZ PHE 1 -19.075 2.947 4.069 12 H ILE 2 HN ILE 2 -13.991 6.184 -1.010 13 HA ILE 2 HA ILE 2 -12.641 4.969 -3.183 14 HB ILE 2 HB ILE 2 -13.918 7.132 -3.285 15 HG12 ILE 2 HG12 ILE 2 -12.259 8.256 -4.801 16 HG13 ILE 2 HG11 ILE 2 -11.028 7.141 -4.220 17 HG21 ILE 2 HG21 ILE 2 -12.869 8.002 -1.143 18 HG22 ILE 2 HG22 ILE 2 -12.924 9.156 -2.477 19 HG23 ILE 2 HG23 ILE 2 -11.413 8.334 -2.083 20 HD11 ILE 2 HD11 ILE 2 -11.882 5.362 -5.391 21 HD12 ILE 2 HD12 ILE 2 -12.500 6.647 -6.427 22 HD13 ILE 2 HD13 ILE 2 -13.553 5.904 -5.226 23 H HIS 3 HN HIS 3 -11.538 6.566 -0.249 24 HA HIS 3 HA HIS 3 -8.839 6.925 -0.924 25 HB2 HIS 3 HB2 HIS 3 -10.146 6.377 1.753 26 HB3 HIS 3 HB1 HIS 3 -8.456 6.841 1.560 27 HD2 HIS 3 HD2 HIS 3 -11.956 8.502 1.583 28 HE1 HIS 3 HE1 HIS 3 -9.187 11.472 0.427 29 HE2 HIS 3 HE2 HIS 3 -11.590 11.048 1.130 30 H HIS 4 HN HIS 4 -10.486 4.109 0.551 31 HA HIS 4 HA HIS 4 -8.379 2.497 1.112 32 HB2 HIS 4 HB2 HIS 4 -11.028 1.767 -0.139 33 HB3 HIS 4 HB1 HIS 4 -9.903 0.582 0.526 34 HD2 HIS 4 HD2 HIS 4 -9.716 0.581 3.369 35 HE1 HIS 4 HE1 HIS 4 -12.784 3.411 4.005 36 HE2 HIS 4 HE2 HIS 4 -11.255 1.731 5.139 37 H ILE 5 HN ILE 5 -9.788 3.010 -2.144 38 HA ILE 5 HA ILE 5 -8.276 1.018 -3.460 39 HB ILE 5 HB ILE 5 -9.569 3.582 -4.409 40 HG12 ILE 5 HG12 ILE 5 -11.174 1.920 -5.424 41 HG13 ILE 5 HG11 ILE 5 -10.312 0.641 -4.573 42 HG21 ILE 5 HG21 ILE 5 -7.863 3.170 -6.012 43 HG22 ILE 5 HG22 ILE 5 -9.322 2.465 -6.704 44 HG23 ILE 5 HG23 ILE 5 -8.113 1.426 -5.950 45 HD11 ILE 5 HD11 ILE 5 -11.057 1.345 -2.480 46 HD12 ILE 5 HD12 ILE 5 -12.451 1.740 -3.483 47 HD13 ILE 5 HD13 ILE 5 -11.323 3.007 -3.009 48 H PHE 6 HN PHE 6 -7.706 4.511 -3.015 49 HA PHE 6 HA PHE 6 -5.207 4.512 -4.400 50 HB2 PHE 6 HB2 PHE 6 -6.572 6.466 -2.551 51 HB3 PHE 6 HB1 PHE 6 -4.957 6.767 -3.191 52 HD1 PHE 6 HD2 PHE 6 -8.332 5.636 -4.404 53 HD2 PHE 6 HD1 PHE 6 -4.797 7.944 -5.203 54 HE1 PHE 6 HE2 PHE 6 -9.324 6.420 -6.537 55 HE2 PHE 6 HE1 PHE 6 -5.791 8.726 -7.335 56 HZ PHE 6 HZ PHE 6 -8.056 7.965 -8.003 57 H ARG 7 HN ARG 7 -6.151 4.209 -1.026 58 HA ARG 7 HA ARG 7 -3.576 4.435 0.115 59 HB2 ARG 7 HB2 ARG 7 -5.686 4.616 1.415 60 HB3 ARG 7 HB1 ARG 7 -5.952 2.889 1.176 61 HG2 ARG 7 HG2 ARG 7 -3.837 2.385 2.331 62 HG3 ARG 7 HG1 ARG 7 -3.535 4.110 2.544 63 HD2 ARG 7 HD2 ARG 7 -5.683 4.265 3.825 64 HD3 ARG 7 HD1 ARG 7 -5.832 2.514 3.710 65 HE ARG 7 HE ARG 7 -3.986 3.992 5.405 66 HH11 ARG 7 HH21 ARG 7 -4.807 1.006 3.861 67 HH12 ARG 7 HH22 ARG 7 -3.899 0.027 4.964 68 HH21 ARG 7 HH11 ARG 7 -2.793 2.715 6.856 69 HH22 ARG 7 HH12 ARG 7 -2.759 0.994 6.659 70 H GLY 8 HN GLY 8 -5.357 1.697 -1.227 71 HA2 GLY 8 HA2 GLY 8 -3.748 -0.396 -0.243 72 HA3 GLY 8 HA1 GLY 8 -4.730 -0.452 -1.704 73 H ILE 9 HN ILE 9 -3.392 1.759 -3.002 74 HA ILE 9 HA ILE 9 -1.323 0.340 -4.333 75 HB ILE 9 HB ILE 9 -1.785 3.330 -4.337 76 HG12 ILE 9 HG12 ILE 9 -3.884 2.199 -4.848 77 HG13 ILE 9 HG11 ILE 9 -3.211 2.852 -6.339 78 HG21 ILE 9 HG21 ILE 9 -0.798 3.162 -6.604 79 HG22 ILE 9 HG22 ILE 9 -0.544 1.435 -6.353 80 HG23 ILE 9 HG23 ILE 9 0.333 2.605 -5.367 81 HD11 ILE 9 HD11 ILE 9 -3.363 -0.012 -5.424 82 HD12 ILE 9 HD12 ILE 9 -2.117 0.470 -6.572 83 HD13 ILE 9 HD13 ILE 9 -3.817 0.679 -6.980 84 H VAL 10 HN VAL 10 -1.256 2.966 -1.936 85 HA VAL 10 HA VAL 10 1.567 3.218 -1.850 86 HB VAL 10 HB VAL 10 -0.560 3.895 0.193 87 HG11 VAL 10 HG11 VAL 10 1.486 3.697 1.413 88 HG12 VAL 10 HG12 VAL 10 1.297 5.418 1.076 89 HG13 VAL 10 HG13 VAL 10 2.414 4.447 0.118 90 HG21 VAL 10 HG21 VAL 10 0.939 5.481 -1.912 91 HG22 VAL 10 HG22 VAL 10 -0.018 6.228 -0.634 92 HG23 VAL 10 HG23 VAL 10 -0.799 5.192 -1.829 93 H HIS 11 HN HIS 11 -0.724 1.395 0.160 94 HA HIS 11 HA HIS 11 1.238 0.306 1.908 95 HB2 HIS 11 HB2 HIS 11 -1.196 0.420 2.428 96 HB3 HIS 11 HB1 HIS 11 -1.481 -0.828 1.215 97 HD2 HIS 11 HD2 HIS 11 -0.741 -3.443 2.006 98 HE1 HIS 11 HE1 HIS 11 0.575 -2.408 5.880 99 HE2 HIS 11 HE2 HIS 11 0.046 -4.345 4.327 100 H ALA 12 HN ALA 12 -0.364 -0.955 -1.002 101 HA ALA 12 HA ALA 12 0.838 -3.506 -0.988 102 HB1 ALA 12 HB1 ALA 12 0.188 -3.609 -3.348 103 HB2 ALA 12 HB2 ALA 12 -0.098 -1.869 -3.357 104 HB3 ALA 12 HB3 ALA 12 -1.117 -2.925 -2.379 105 H GLY 13 HN GLY 13 1.976 -0.378 -2.045 106 HA2 GLY 13 HA2 GLY 13 4.180 -1.362 -3.617 107 HA3 GLY 13 HA1 GLY 13 3.942 0.297 -3.077 108 H ARG 14 HN ARG 14 3.828 -0.000 -0.381 109 HA ARG 14 HA ARG 14 6.545 -0.102 0.371 110 HB2 ARG 14 HB2 ARG 14 4.030 -0.219 2.039 111 HB3 ARG 14 HB1 ARG 14 5.647 -0.132 2.737 112 HG2 ARG 14 HG2 ARG 14 6.069 1.963 1.488 113 HG3 ARG 14 HG1 ARG 14 4.441 1.882 0.820 114 HD2 ARG 14 HD2 ARG 14 5.020 1.947 3.788 115 HD3 ARG 14 HD1 ARG 14 4.667 3.385 2.836 116 HE ARG 14 HE ARG 14 2.558 1.783 2.265 117 HH11 ARG 14 HH21 ARG 14 4.121 2.724 5.207 118 HH12 ARG 14 HH22 ARG 14 2.680 2.634 6.164 119 HH21 ARG 14 HH11 ARG 14 0.664 1.662 3.514 120 HH22 ARG 14 HH12 ARG 14 0.723 2.031 5.206 121 H SER 15 HN SER 15 3.979 -2.523 0.549 122 HA SER 15 HA SER 15 5.387 -4.431 2.107 123 HB2 SER 15 HB2 SER 15 3.732 -6.040 1.216 124 HB3 SER 15 HB1 SER 15 2.969 -4.559 1.790 125 HG SER 15 HG SER 15 2.396 -4.103 -0.190 126 H ILE 16 HN ILE 16 5.102 -3.929 -1.378 127 HA ILE 16 HA ILE 16 6.582 -6.218 -2.180 128 HB ILE 16 HB ILE 16 6.070 -3.582 -3.574 129 HG12 ILE 16 HG12 ILE 16 4.948 -6.337 -4.153 130 HG13 ILE 16 HG11 ILE 16 4.164 -5.218 -3.042 131 HG21 ILE 16 HG21 ILE 16 8.045 -4.429 -4.598 132 HG22 ILE 16 HG22 ILE 16 6.726 -4.966 -5.640 133 HG23 ILE 16 HG23 ILE 16 7.471 -6.095 -4.508 134 HD11 ILE 16 HD11 ILE 16 4.738 -4.764 -5.984 135 HD12 ILE 16 HD12 ILE 16 4.150 -3.507 -4.897 136 HD13 ILE 16 HD13 ILE 16 3.155 -4.925 -5.224 137 H GLY 17 HN GLY 17 7.534 -2.855 -1.584 138 HA2 GLY 17 HA2 GLY 17 10.251 -3.129 -2.312 139 HA3 GLY 17 HA1 GLY 17 9.592 -1.877 -1.262 140 H ARG 18 HN ARG 18 8.512 -3.741 0.676 141 HA ARG 18 HA ARG 18 10.653 -3.905 2.472 142 HB2 ARG 18 HB2 ARG 18 8.256 -3.984 3.126 143 HB3 ARG 18 HB1 ARG 18 8.155 -5.614 2.460 144 HG2 ARG 18 HG2 ARG 18 9.898 -6.373 4.036 145 HG3 ARG 18 HG1 ARG 18 10.004 -4.743 4.702 146 HD2 ARG 18 HD2 ARG 18 7.572 -4.893 5.290 147 HD3 ARG 18 HD1 ARG 18 7.592 -6.575 4.761 148 HE ARG 18 HE ARG 18 8.759 -5.507 7.203 149 HH11 ARG 18 HH21 ARG 18 8.638 -8.071 4.882 150 HH12 ARG 18 HH22 ARG 18 9.261 -9.268 5.966 151 HH21 ARG 18 HH11 ARG 18 9.577 -7.072 8.632 152 HH22 ARG 18 HH12 ARG 18 9.792 -8.703 8.089 153 H PHE 19 HN PHE 19 9.238 -6.435 0.394 154 HA PHE 19 HA PHE 19 10.944 -8.530 1.242 155 HB2 PHE 19 HB2 PHE 19 9.385 -8.101 -1.310 156 HB3 PHE 19 HB1 PHE 19 10.285 -9.578 -0.969 157 HD1 PHE 19 HD1 PHE 19 9.793 -10.759 1.298 158 HD2 PHE 19 HD2 PHE 19 7.186 -7.865 -0.508 159 HE1 PHE 19 HE1 PHE 19 7.906 -11.601 2.671 160 HE2 PHE 19 HE2 PHE 19 5.299 -8.704 0.866 161 HZ PHE 19 HZ PHE 19 5.660 -10.574 2.455 162 H LEU 20 HN LEU 20 11.254 -6.043 -1.232 163 HA LEU 20 HA LEU 20 13.442 -7.081 -2.639 164 HB2 LEU 20 HB2 LEU 20 12.044 -5.062 -3.273 165 HB3 LEU 20 HB1 LEU 20 12.954 -4.151 -2.071 166 HG LEU 20 HG LEU 20 15.063 -5.103 -3.353 167 HD11 LEU 20 HD11 LEU 20 12.877 -5.266 -5.452 168 HD12 LEU 20 HD12 LEU 20 13.836 -6.613 -4.842 169 HD13 LEU 20 HD13 LEU 20 14.606 -5.343 -5.789 170 HD21 LEU 20 HD21 LEU 20 14.965 -3.139 -4.899 171 HD22 LEU 20 HD22 LEU 20 14.532 -2.724 -3.241 172 HD23 LEU 20 HD23 LEU 20 13.271 -2.914 -4.460 173 H THR 21 HN THR 21 13.313 -5.131 0.320 174 HA THR 21 HA THR 21 15.981 -4.475 0.637 175 HB THR 21 HB THR 21 15.544 -4.350 3.013 176 HG1 THR 21 HG1 THR 21 13.162 -5.268 3.333 177 HG21 THR 21 HG21 THR 21 13.707 -2.871 2.980 178 HG22 THR 21 HG22 THR 21 12.882 -3.789 1.722 179 HG23 THR 21 HG23 THR 21 14.304 -2.827 1.320 180 H GLY 22 HN GLY 22 14.396 -7.408 1.960 181 HA2 GLY 22 HA2 GLY 22 15.304 -9.400 2.674 182 HA3 GLY 22 HA1 GLY 22 16.195 -9.314 1.159 183 HN1 NH2 23 HT1 GLY 22 18.481 -7.141 3.644 184 HN2 NH2 23 HT2 GLY 22 17.055 -6.570 2.843
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