NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
633281 | 5z5r | 36158 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 H LYS 1 1.806 0.000 0.856 2 HA LYS 1 HA LYS 1 1.769 0.840 -1.833 3 HB2 LYS 1 2HB LYS 1 3.760 -0.084 0.098 4 HB3 LYS 1 3HB LYS 1 4.136 -0.556 -1.554 5 HG2 LYS 1 2HG LYS 1 3.959 1.783 -2.256 6 HG3 LYS 1 3HG LYS 1 3.606 2.248 -0.591 7 HD2 LYS 1 2HD LYS 1 5.759 2.001 0.074 8 HD3 LYS 1 3HD LYS 1 6.050 0.641 -1.013 9 HE2 LYS 1 2HE LYS 1 5.574 3.122 -2.445 10 HE3 LYS 1 3HE LYS 1 6.945 3.240 -1.343 11 HZ1 LYS 1 1HZ LYS 1 7.337 0.848 -2.530 12 HZ2 LYS 1 2HZ LYS 1 8.078 2.294 -2.999 13 HZ3 LYS 1 3HZ LYS 1 6.686 1.759 -3.798 14 H LYS 2 H LYS 2 0.370 -0.404 -3.052 15 HA LYS 2 HA LYS 2 1.000 -3.262 -3.313 16 HB2 LYS 2 2HB LYS 2 -1.459 -1.646 -3.615 17 HB3 LYS 2 3HB LYS 2 -1.255 -2.949 -4.780 18 HG2 LYS 2 2HG LYS 2 -2.301 -4.153 -3.199 19 HG3 LYS 2 3HG LYS 2 -0.680 -4.267 -2.510 20 HD2 LYS 2 2HD LYS 2 -1.910 -3.587 -0.682 21 HD3 LYS 2 3HD LYS 2 -1.340 -2.041 -1.315 22 HE2 LYS 2 2HE LYS 2 -3.507 -1.459 -1.189 23 HE3 LYS 2 3HE LYS 2 -3.645 -2.347 -2.706 24 HZ1 LYS 2 1HZ LYS 2 -4.559 -4.172 -1.650 25 HZ2 LYS 2 2HZ LYS 2 -5.264 -2.885 -0.807 26 HZ3 LYS 2 3HZ LYS 2 -3.970 -3.735 -0.125 27 H LYS 3 H LYS 3 0.043 -0.529 -5.400 28 HA LYS 3 HA LYS 3 0.691 -1.634 -7.844 29 HB2 LYS 3 2HB LYS 3 0.299 1.066 -6.784 30 HB3 LYS 3 3HB LYS 3 1.389 1.016 -8.163 31 HG2 LYS 3 2HG LYS 3 -0.366 -0.255 -9.405 32 HG3 LYS 3 3HG LYS 3 -1.455 0.040 -8.047 33 HD2 LYS 3 2HD LYS 3 -0.255 2.512 -8.783 34 HD3 LYS 3 3HD LYS 3 -0.867 1.737 -10.246 35 HE2 LYS 3 2HE LYS 3 -3.035 1.384 -9.013 36 HE3 LYS 3 3HE LYS 3 -2.391 2.419 -7.739 37 HZ1 LYS 3 1HZ LYS 3 -1.979 3.995 -9.793 38 HZ2 LYS 3 2HZ LYS 3 -3.462 3.966 -8.980 39 HZ3 LYS 3 3HZ LYS 3 -3.277 3.120 -10.434 40 H SER 4 H SER 4 2.541 -2.619 -8.339 41 HA SER 4 HA SER 4 5.056 -1.194 -7.782 42 HB2 SER 4 2HB SER 4 4.854 -3.087 -6.232 43 HB3 SER 4 3HB SER 4 4.605 -4.183 -7.591 44 HG SER 4 HG SER 4 6.866 -3.678 -6.553 45 H GLY 5 H GLY 5 3.625 -3.836 -9.704 46 HA2 GLY 5 2HA GLY 5 3.637 -3.949 -12.059 47 HA3 GLY 5 3HA GLY 5 4.894 -2.721 -12.089 48 H VAL 6 H VAL 6 4.481 -6.003 -10.748 49 HA VAL 6 HA VAL 6 7.206 -6.683 -10.896 50 HB VAL 6 HB VAL 6 4.794 -8.504 -10.903 51 HG11 VAL 6 1HG1 VAL 6 6.892 -9.842 -9.711 52 HG12 VAL 6 2HG1 VAL 6 6.269 -10.121 -11.338 53 HG13 VAL 6 3HG1 VAL 6 7.644 -9.043 -11.092 54 HG21 VAL 6 1HG2 VAL 6 6.558 -7.856 -8.562 55 HG22 VAL 6 2HG2 VAL 6 5.153 -6.869 -8.964 56 HG23 VAL 6 3HG2 VAL 6 4.947 -8.574 -8.567 57 H ILE 7 H ILE 7 4.729 -8.384 -12.779 58 HA ILE 7 HA ILE 7 6.272 -7.949 -15.225 59 HB ILE 7 HB ILE 7 5.483 -10.699 -14.255 60 HG12 ILE 7 2HG1 ILE 7 8.246 -9.559 -14.712 61 HG13 ILE 7 3HG1 ILE 7 7.479 -9.668 -13.132 62 HG21 ILE 7 1HG2 ILE 7 5.264 -10.413 -16.684 63 HG22 ILE 7 2HG2 ILE 7 6.940 -9.872 -16.762 64 HG23 ILE 7 3HG2 ILE 7 6.569 -11.523 -16.265 65 HD11 ILE 7 1HD1 ILE 7 8.836 -11.701 -14.691 66 HD12 ILE 7 2HD1 ILE 7 8.466 -11.649 -12.967 67 HD13 ILE 7 3HD1 ILE 7 7.255 -12.224 -14.113 68 HA PRO 8 HA PRO 8 1.939 -7.368 -16.329 69 HB2 PRO 8 2HB PRO 8 2.479 -6.087 -18.660 70 HB3 PRO 8 3HB PRO 8 2.529 -5.281 -17.088 71 HG2 PRO 8 2HG PRO 8 4.782 -6.372 -18.729 72 HG3 PRO 8 3HG PRO 8 4.686 -4.843 -17.836 73 HD2 PRO 8 2HD PRO 8 5.985 -7.014 -16.872 74 HD3 PRO 8 3HD PRO 8 5.163 -5.847 -15.817 75 H DBB 9 H DBB 9 1.122 -9.321 -16.893 76 HA DBB 9 HA DBB 9 1.920 -10.443 -19.536 77 HB2 DBB 9 3HB DBB 9 -0.303 -9.759 -19.853 78 HG1 DBB 9 1HG DBB 9 -1.476 -11.749 -20.160 79 HG2 DBB 9 2HG DBB 9 0.173 -12.380 -19.938 80 HG3 DBB 9 3HG DBB 9 -0.979 -12.406 -18.582 81 H VAL 10 H VAL 10 0.966 -11.075 -16.204 82 HA VAL 10 HA VAL 10 1.977 -13.828 -16.514 83 HB VAL 10 HB VAL 10 2.619 -13.720 -14.117 84 HG11 VAL 10 1HG1 VAL 10 4.210 -13.259 -15.985 85 HG12 VAL 10 2HG1 VAL 10 3.913 -11.536 -15.742 86 HG13 VAL 10 3HG1 VAL 10 4.646 -12.496 -14.456 87 HG21 VAL 10 1HG2 VAL 10 1.732 -10.865 -14.433 88 HG22 VAL 10 2HG2 VAL 10 1.216 -12.045 -13.228 89 HG23 VAL 10 3HG2 VAL 10 2.846 -11.375 -13.165 90 H DAL 11 H DAL 11 -0.630 -11.836 -15.547 91 HA DAL 11 HA DAL 11 -2.752 -12.285 -14.731 92 HB1 DAL 11 2HB DAL 11 -2.729 -14.254 -12.960 93 HB2 DAL 11 3HB DAL 11 -0.963 -14.098 -13.107 94 H HIS 12 H HIS 12 -4.420 -14.061 -14.618 95 HA HIS 12 HA HIS 12 -3.814 -16.328 -16.367 96 HB2 HIS 12 2HB HIS 12 -5.592 -15.891 -14.132 97 HB3 HIS 12 3HB HIS 12 -6.490 -16.490 -15.524 98 HD1 HIS 12 HD1 HIS 12 -5.015 -17.777 -12.661 99 HD2 HIS 12 HD2 HIS 12 -4.759 -18.827 -16.672 100 HE1 HIS 12 HE1 HIS 12 -4.231 -20.166 -12.681 101 H ASP 13 H ASP 13 -5.519 -13.325 -16.308 102 HA ASP 13 HA ASP 13 -6.435 -13.829 -19.054 103 HB2 ASP 13 2HB ASP 13 -8.449 -12.344 -18.434 104 HB3 ASP 13 3HB ASP 13 -8.461 -14.018 -17.886 105 H CYS 14 H CYS 14 -4.353 -12.177 -17.316 106 HA CYS 14 HA CYS 14 -4.716 -9.474 -17.714 107 HB2 CYS 14 2HB CYS 14 -2.844 -9.971 -16.445 108 HB3 CYS 14 3HB CYS 14 -2.294 -11.222 -17.556 109 H HIS 15 H HIS 15 -4.545 -8.078 -19.384 110 HA HIS 15 HA HIS 15 -3.494 -9.038 -21.941 111 HB2 HIS 15 2HB HIS 15 -6.070 -9.269 -21.731 112 HB3 HIS 15 3HB HIS 15 -6.085 -7.515 -21.882 113 HD1 HIS 15 HD1 HIS 15 -6.983 -9.969 -23.947 114 HD2 HIS 15 HD2 HIS 15 -3.906 -7.201 -24.305 115 HE1 HIS 15 HE1 HIS 15 -6.489 -9.827 -26.409 116 H MET 16 H MET 16 -1.988 -7.453 -20.494 117 HA MET 16 HA MET 16 -0.808 -5.509 -20.543 118 HB2 MET 16 2HB MET 16 -1.295 -5.859 -23.068 119 HB3 MET 16 3HB MET 16 -2.466 -4.564 -22.862 120 HG2 MET 16 2HG MET 16 -0.889 -2.982 -22.749 121 HG3 MET 16 3HG MET 16 0.187 -3.981 -21.775 122 HE1 MET 16 1HE MET 16 0.951 -2.012 -24.745 123 HE2 MET 16 2HE MET 16 0.428 -3.000 -26.109 124 HE3 MET 16 3HE MET 16 -0.746 -2.466 -24.905 125 H ASN 17 H ASN 17 -1.902 -5.009 -18.533 126 HA ASN 17 HA ASN 17 -3.584 -2.617 -18.800 127 HB2 ASN 17 2HB ASN 17 -4.119 -5.045 -17.103 128 HB3 ASN 17 3HB ASN 17 -4.786 -3.470 -16.683 129 HD21 ASN 17 1HD2 ASN 17 -6.201 -2.445 -18.196 130 HD22 ASN 17 2HD2 ASN 17 -7.129 -3.399 -19.297 131 H DAL 18 H DAL 18 -2.406 -4.477 -16.011 132 HA DAL 18 HA DAL 18 -0.320 -2.573 -15.359 133 HB1 DAL 18 2HB DAL 18 -0.123 -3.951 -13.273 134 HB2 DAL 18 3HB DAL 18 -1.562 -4.869 -13.779 135 H PHE 19 H PHE 19 -3.050 -3.696 -13.364 136 HA PHE 19 HA PHE 19 -3.519 -0.895 -12.587 137 HB2 PHE 19 2HB PHE 19 -5.361 -3.236 -12.919 138 HB3 PHE 19 3HB PHE 19 -5.794 -1.936 -11.813 139 HD1 PHE 19 HD1 PHE 19 -7.346 -0.520 -12.715 140 HD2 PHE 19 HD2 PHE 19 -4.285 -2.085 -15.226 141 HE1 PHE 19 HE1 PHE 19 -8.228 0.790 -14.602 142 HE2 PHE 19 HE2 PHE 19 -5.162 -0.776 -17.116 143 HZ PHE 19 HZ PHE 19 -7.135 0.665 -16.805 144 H GLN 20 H GLN 20 -3.184 -4.195 -11.405 145 HA GLN 20 HA GLN 20 -1.956 -3.463 -9.007 146 HB2 GLN 20 2HB GLN 20 -4.715 -3.028 -8.904 147 HB3 GLN 20 3HB GLN 20 -4.468 -4.546 -8.051 148 HG2 GLN 20 2HG GLN 20 -3.059 -3.553 -6.462 149 HG3 GLN 20 3HG GLN 20 -2.845 -2.102 -7.440 150 HE21 GLN 20 1HE2 GLN 20 -5.507 -3.984 -6.030 151 HE22 GLN 20 2HE2 GLN 20 -6.379 -2.619 -5.430 152 H PHE 21 H PHE 21 -1.325 -5.256 -7.756 153 HA PHE 21 HA PHE 21 -1.745 -7.830 -9.110 154 HB2 PHE 21 2HB PHE 21 0.519 -6.738 -7.459 155 HB3 PHE 21 3HB PHE 21 0.339 -8.470 -7.720 156 HD1 PHE 21 HD1 PHE 21 0.165 -5.369 -9.797 157 HD2 PHE 21 HD2 PHE 21 1.659 -9.332 -9.374 158 HE1 PHE 21 HE1 PHE 21 1.327 -5.158 -11.956 159 HE2 PHE 21 HE2 PHE 21 2.824 -9.127 -11.531 160 HZ PHE 21 HZ PHE 21 2.660 -7.038 -12.825 161 H VAL 22 H VAL 22 -3.585 -8.583 -8.132 162 HA VAL 22 HA VAL 22 -3.921 -8.517 -5.275 163 HB VAL 22 HB VAL 22 -5.530 -10.101 -7.278 164 HG11 VAL 22 1HG1 VAL 22 -7.282 -9.472 -5.394 165 HG12 VAL 22 2HG1 VAL 22 -6.248 -10.896 -5.264 166 HG13 VAL 22 3HG1 VAL 22 -5.825 -9.416 -4.403 167 HG21 VAL 22 1HG2 VAL 22 -5.689 -7.219 -6.461 168 HG22 VAL 22 2HG2 VAL 22 -5.697 -7.914 -8.082 169 HG23 VAL 22 3HG2 VAL 22 -7.109 -8.089 -7.041 170 H PHE 23 H PHE 23 -2.282 -10.526 -7.435 171 HA PHE 23 HA PHE 23 -1.399 -12.290 -5.428 172 HB2 PHE 23 2HB PHE 23 -3.773 -13.126 -5.811 173 HB3 PHE 23 3HB PHE 23 -3.239 -13.624 -7.413 174 HD1 PHE 23 HD1 PHE 23 -2.538 -15.790 -7.678 175 HD2 PHE 23 HD2 PHE 23 -2.193 -13.966 -3.848 176 HE1 PHE 23 HE1 PHE 23 -1.717 -17.913 -6.744 177 HE2 PHE 23 HE2 PHE 23 -1.371 -16.086 -2.908 178 HZ PHE 23 HZ PHE 23 -1.131 -18.063 -4.357 179 H DBU 24 H DBU 24 -0.405 -10.655 -7.607 180 HB DBU 24 HB DBU 24 2.741 -12.165 -9.552 181 HG1 DBU 24 1HG DBU 24 1.953 -12.532 -6.578 182 HG2 DBU 24 2HG DBU 24 3.502 -11.910 -7.160 183 HG3 DBU 24 3HG DBU 24 3.025 -13.581 -7.514 184 H CYS 25 H CYS 25 -1.508 -11.447 -9.873 185 HA CYS 25 HA CYS 25 -0.725 -11.382 -12.628 186 HB2 CYS 25 2HB CYS 25 -3.431 -10.639 -11.518 187 HB3 CYS 25 3HB CYS 25 -3.053 -11.249 -13.125 188 H CYS 26 H CYS 26 -1.449 -9.617 -14.101 189 HA CYS 26 HA CYS 26 -1.124 -6.977 -12.832 190 HB2 CYS 26 2HB CYS 26 0.901 -7.693 -14.085 191 HB3 CYS 26 3HB CYS 26 -0.077 -7.811 -15.544 192 H SER 27 H SER 27 -3.567 -7.315 -12.854 193 HA SER 27 HA SER 27 -4.616 -6.128 -15.328 194 HB2 SER 27 2HB SER 27 -6.521 -7.559 -15.357 195 HB3 SER 27 3HB SER 27 -5.124 -8.616 -15.159 196 HG SER 27 HG SER 27 -7.001 -7.797 -13.208 Start of MODEL 2 1 H1 LYS 1 H LYS 1 4.813 3.848 -7.828 2 HA LYS 1 HA LYS 1 3.555 1.945 -7.555 3 HB2 LYS 1 2HB LYS 1 6.243 0.585 -7.715 4 HB3 LYS 1 3HB LYS 1 4.693 -0.023 -8.282 5 HG2 LYS 1 2HG LYS 1 5.247 0.736 -10.288 6 HG3 LYS 1 3HG LYS 1 5.028 2.366 -9.648 7 HD2 LYS 1 2HD LYS 1 7.480 2.059 -8.809 8 HD3 LYS 1 3HD LYS 1 7.546 0.804 -10.048 9 HE2 LYS 1 2HE LYS 1 6.449 3.464 -10.796 10 HE3 LYS 1 3HE LYS 1 8.191 3.319 -10.567 11 HZ1 LYS 1 1HZ LYS 1 8.385 2.310 -12.515 12 HZ2 LYS 1 2HZ LYS 1 6.758 2.656 -12.821 13 HZ3 LYS 1 3HZ LYS 1 7.192 1.173 -12.133 14 H LYS 2 H LYS 2 2.631 1.697 -5.608 15 HA LYS 2 HA LYS 2 4.200 0.319 -3.531 16 HB2 LYS 2 2HB LYS 2 3.839 2.702 -2.949 17 HB3 LYS 2 3HB LYS 2 2.103 2.447 -3.061 18 HG2 LYS 2 2HG LYS 2 2.304 0.750 -1.249 19 HG3 LYS 2 3HG LYS 2 3.999 1.211 -1.079 20 HD2 LYS 2 2HD LYS 2 3.257 3.546 -0.648 21 HD3 LYS 2 3HD LYS 2 1.586 2.978 -0.676 22 HE2 LYS 2 2HE LYS 2 1.724 2.218 1.416 23 HE3 LYS 2 3HE LYS 2 3.237 1.376 1.084 24 HZ1 LYS 2 1HZ LYS 2 4.167 2.885 2.404 25 HZ2 LYS 2 2HZ LYS 2 2.800 3.881 2.395 26 HZ3 LYS 2 3HZ LYS 2 3.945 4.005 1.156 27 H LYS 3 H LYS 3 0.882 1.123 -4.552 28 HA LYS 3 HA LYS 3 -0.497 -0.777 -3.103 29 HB2 LYS 3 2HB LYS 3 -0.979 0.681 -5.639 30 HB3 LYS 3 3HB LYS 3 -1.971 -0.744 -5.356 31 HG2 LYS 3 2HG LYS 3 -3.095 0.208 -3.629 32 HG3 LYS 3 3HG LYS 3 -1.723 1.203 -3.137 33 HD2 LYS 3 2HD LYS 3 -3.025 2.842 -4.025 34 HD3 LYS 3 3HD LYS 3 -2.214 2.327 -5.506 35 HE2 LYS 3 2HE LYS 3 -4.076 1.039 -6.187 36 HE3 LYS 3 3HE LYS 3 -4.830 1.154 -4.598 37 HZ1 LYS 3 1HZ LYS 3 -5.754 3.099 -5.110 38 HZ2 LYS 3 2HZ LYS 3 -5.377 2.747 -6.721 39 HZ3 LYS 3 3HZ LYS 3 -4.336 3.712 -5.801 40 H SER 4 H SER 4 0.935 -1.123 -6.338 41 HA SER 4 HA SER 4 1.477 -3.898 -5.903 42 HB2 SER 4 2HB SER 4 0.046 -4.293 -8.185 43 HB3 SER 4 3HB SER 4 -0.570 -4.622 -6.565 44 HG SER 4 HG SER 4 -1.141 -2.508 -8.300 45 H GLY 5 H GLY 5 2.272 -4.919 -8.056 46 HA2 GLY 5 2HA GLY 5 3.061 -3.936 -10.338 47 HA3 GLY 5 3HA GLY 5 4.049 -2.932 -9.286 48 H VAL 6 H VAL 6 3.218 -6.397 -9.495 49 HA VAL 6 HA VAL 6 5.874 -7.145 -8.657 50 HB VAL 6 HB VAL 6 3.538 -8.821 -9.582 51 HG11 VAL 6 1HG1 VAL 6 6.332 -9.504 -9.089 52 HG12 VAL 6 2HG1 VAL 6 5.193 -10.474 -8.152 53 HG13 VAL 6 3HG1 VAL 6 5.069 -10.419 -9.911 54 HG21 VAL 6 1HG2 VAL 6 3.184 -9.320 -7.279 55 HG22 VAL 6 2HG2 VAL 6 4.674 -8.501 -6.810 56 HG23 VAL 6 3HG2 VAL 6 3.309 -7.567 -7.421 57 H ILE 7 H ILE 7 4.097 -8.565 -11.367 58 HA ILE 7 HA ILE 7 6.249 -7.828 -13.203 59 HB ILE 7 HB ILE 7 5.374 -10.679 -12.730 60 HG12 ILE 7 2HG1 ILE 7 8.083 -9.363 -12.442 61 HG13 ILE 7 3HG1 ILE 7 7.018 -9.786 -11.106 62 HG21 ILE 7 1HG2 ILE 7 5.638 -10.292 -15.099 63 HG22 ILE 7 2HG2 ILE 7 7.205 -9.529 -14.830 64 HG23 ILE 7 3HG2 ILE 7 6.994 -11.249 -14.503 65 HD11 ILE 7 1HD1 ILE 7 8.418 -11.651 -12.999 66 HD12 ILE 7 2HD1 ILE 7 8.674 -11.470 -11.263 67 HD13 ILE 7 3HD1 ILE 7 7.170 -12.165 -11.865 68 HA PRO 8 HA PRO 8 2.439 -7.161 -15.489 69 HB2 PRO 8 2HB PRO 8 3.619 -5.771 -17.500 70 HB3 PRO 8 3HB PRO 8 3.227 -5.049 -15.935 71 HG2 PRO 8 2HG PRO 8 5.847 -6.096 -16.934 72 HG3 PRO 8 3HG PRO 8 5.510 -4.614 -16.021 73 HD2 PRO 8 2HD PRO 8 6.476 -6.858 -14.852 74 HD3 PRO 8 3HD PRO 8 5.394 -5.731 -14.008 75 H DBB 9 H DBB 9 2.003 -9.255 -16.176 76 HA DBB 9 HA DBB 9 3.404 -10.151 -18.648 77 HB2 DBB 9 3HB DBB 9 0.543 -10.910 -18.131 78 HG1 DBB 9 1HG DBB 9 -0.150 -8.788 -19.339 79 HG2 DBB 9 2HG DBB 9 0.444 -8.531 -17.680 80 HG3 DBB 9 3HG DBB 9 1.499 -8.173 -19.068 81 H VAL 10 H VAL 10 1.381 -11.165 -15.897 82 HA VAL 10 HA VAL 10 2.761 -13.769 -15.962 83 HB VAL 10 HB VAL 10 2.041 -12.105 -13.550 84 HG11 VAL 10 1HG1 VAL 10 2.962 -14.971 -13.700 85 HG12 VAL 10 2HG1 VAL 10 2.959 -14.002 -12.225 86 HG13 VAL 10 3HG1 VAL 10 1.440 -14.371 -13.042 87 HG21 VAL 10 1HG2 VAL 10 4.122 -11.423 -14.469 88 HG22 VAL 10 2HG2 VAL 10 4.491 -12.431 -13.070 89 HG23 VAL 10 3HG2 VAL 10 4.644 -13.093 -14.697 90 H DAL 11 H DAL 11 -0.192 -12.028 -15.704 91 HA DAL 11 HA DAL 11 -2.414 -12.679 -15.614 92 HB1 DAL 11 2HB DAL 11 -2.827 -14.789 -14.151 93 HB2 DAL 11 3HB DAL 11 -1.081 -14.730 -13.816 94 H HIS 12 H HIS 12 -3.890 -14.284 -16.464 95 HA HIS 12 HA HIS 12 -2.653 -16.420 -18.039 96 HB2 HIS 12 2HB HIS 12 -5.274 -16.007 -16.784 97 HB3 HIS 12 3HB HIS 12 -5.362 -16.677 -18.411 98 HD1 HIS 12 HD1 HIS 12 -3.478 -18.797 -18.666 99 HD2 HIS 12 HD2 HIS 12 -5.133 -17.968 -14.946 100 HE1 HIS 12 HE1 HIS 12 -3.176 -20.895 -17.313 101 H ASP 13 H ASP 13 -4.585 -13.503 -18.367 102 HA ASP 13 HA ASP 13 -4.790 -13.815 -21.247 103 HB2 ASP 13 2HB ASP 13 -5.999 -12.069 -19.197 104 HB3 ASP 13 3HB ASP 13 -5.709 -11.301 -20.756 105 H CYS 14 H CYS 14 -2.985 -11.936 -18.898 106 HA CYS 14 HA CYS 14 -1.262 -10.457 -19.094 107 HB2 CYS 14 2HB CYS 14 -0.362 -12.650 -20.108 108 HB3 CYS 14 3HB CYS 14 -0.559 -11.855 -21.666 109 H HIS 15 H HIS 15 -3.329 -9.088 -19.756 110 HA HIS 15 HA HIS 15 -2.492 -7.540 -22.094 111 HB2 HIS 15 2HB HIS 15 -4.322 -9.089 -22.800 112 HB3 HIS 15 3HB HIS 15 -5.372 -8.328 -21.609 113 HD1 HIS 15 HD1 HIS 15 -3.078 -6.843 -24.267 114 HD2 HIS 15 HD2 HIS 15 -7.025 -6.697 -22.979 115 HE1 HIS 15 HE1 HIS 15 -4.202 -5.139 -25.736 116 H MET 16 H MET 16 -1.689 -6.346 -20.122 117 HA MET 16 HA MET 16 -3.374 -4.109 -19.650 118 HB2 MET 16 2HB MET 16 -3.495 -6.291 -17.750 119 HB3 MET 16 3HB MET 16 -2.908 -4.820 -16.986 120 HG2 MET 16 2HG MET 16 -5.456 -5.066 -18.568 121 HG3 MET 16 3HG MET 16 -5.336 -5.066 -16.811 122 HE1 MET 16 1HE MET 16 -7.152 -2.099 -17.161 123 HE2 MET 16 2HE MET 16 -6.871 -2.067 -18.902 124 HE3 MET 16 3HE MET 16 -7.223 -3.595 -18.093 125 H ASN 17 H ASN 17 -2.274 -2.970 -17.460 126 HA ASN 17 HA ASN 17 0.594 -2.872 -18.128 127 HB2 ASN 17 2HB ASN 17 -0.399 -0.794 -18.750 128 HB3 ASN 17 3HB ASN 17 -1.295 -0.692 -17.237 129 HD21 ASN 17 1HD2 ASN 17 -0.531 0.959 -16.136 130 HD22 ASN 17 2HD2 ASN 17 1.138 1.314 -15.864 131 H DAL 18 H DAL 18 -1.777 -3.124 -15.602 132 HA DAL 18 HA DAL 18 0.383 -3.246 -13.554 133 HB1 DAL 18 2HB DAL 18 -1.327 -5.005 -12.517 134 HB2 DAL 18 3HB DAL 18 -1.832 -5.182 -14.214 135 H PHE 19 H PHE 19 -3.162 -3.566 -13.528 136 HA PHE 19 HA PHE 19 -3.401 -1.034 -12.107 137 HB2 PHE 19 2HB PHE 19 -5.791 -1.265 -12.442 138 HB3 PHE 19 3HB PHE 19 -4.961 -1.575 -13.963 139 HD1 PHE 19 HD1 PHE 19 -6.752 -3.134 -11.151 140 HD2 PHE 19 HD2 PHE 19 -5.089 -3.692 -15.029 141 HE1 PHE 19 HE1 PHE 19 -7.910 -5.298 -11.333 142 HE2 PHE 19 HE2 PHE 19 -6.245 -5.855 -15.218 143 HZ PHE 19 HZ PHE 19 -7.658 -6.661 -13.369 144 H GLN 20 H GLN 20 -3.676 -4.469 -11.555 145 HA GLN 20 HA GLN 20 -3.384 -4.235 -8.770 146 HB2 GLN 20 2HB GLN 20 -5.885 -3.532 -9.348 147 HB3 GLN 20 3HB GLN 20 -6.115 -5.275 -9.342 148 HG2 GLN 20 2HG GLN 20 -5.666 -5.467 -7.098 149 HG3 GLN 20 3HG GLN 20 -4.719 -3.981 -7.052 150 HE21 GLN 20 1HE2 GLN 20 -5.656 -2.295 -6.159 151 HE22 GLN 20 2HE2 GLN 20 -7.356 -2.057 -5.964 152 H PHE 21 H PHE 21 -3.328 -6.287 -7.695 153 HA PHE 21 HA PHE 21 -3.203 -8.566 -9.560 154 HB2 PHE 21 2HB PHE 21 -1.389 -7.774 -7.300 155 HB3 PHE 21 3HB PHE 21 -1.495 -9.454 -7.815 156 HD1 PHE 21 HD1 PHE 21 0.251 -10.097 -9.140 157 HD2 PHE 21 HD2 PHE 21 -1.287 -6.149 -9.543 158 HE1 PHE 21 HE1 PHE 21 1.878 -9.650 -10.931 159 HE2 PHE 21 HE2 PHE 21 0.337 -5.696 -11.336 160 HZ PHE 21 HZ PHE 21 1.921 -7.448 -12.033 161 H VAL 22 H VAL 22 -5.025 -9.684 -9.199 162 HA VAL 22 HA VAL 22 -6.196 -9.907 -6.578 163 HB VAL 22 HB VAL 22 -6.946 -11.434 -9.073 164 HG11 VAL 22 1HG1 VAL 22 -8.111 -12.496 -7.422 165 HG12 VAL 22 2HG1 VAL 22 -8.156 -11.071 -6.382 166 HG13 VAL 22 3HG1 VAL 22 -9.234 -11.183 -7.774 167 HG21 VAL 22 1HG2 VAL 22 -7.611 -8.662 -8.172 168 HG22 VAL 22 2HG2 VAL 22 -7.189 -9.245 -9.782 169 HG23 VAL 22 3HG2 VAL 22 -8.782 -9.591 -9.108 170 H PHE 23 H PHE 23 -3.875 -11.639 -8.390 171 HA PHE 23 HA PHE 23 -3.297 -13.424 -6.293 172 HB2 PHE 23 2HB PHE 23 -5.452 -14.424 -7.188 173 HB3 PHE 23 3HB PHE 23 -4.567 -14.791 -8.666 174 HD1 PHE 23 HD1 PHE 23 -3.743 -15.092 -5.038 175 HD2 PHE 23 HD2 PHE 23 -4.132 -17.035 -8.805 176 HE1 PHE 23 HE1 PHE 23 -2.946 -17.191 -4.033 177 HE2 PHE 23 HE2 PHE 23 -3.336 -19.138 -7.806 178 HZ PHE 23 HZ PHE 23 -2.743 -19.218 -5.417 179 H DBU 24 H DBU 24 -1.881 -11.650 -7.963 180 HB DBU 24 HB DBU 24 1.674 -12.861 -9.285 181 HG1 DBU 24 1HG DBU 24 2.169 -13.246 -6.953 182 HG2 DBU 24 2HG DBU 24 0.951 -14.501 -7.219 183 HG3 DBU 24 3HG DBU 24 0.482 -12.943 -6.516 184 H CYS 25 H CYS 25 -2.426 -12.318 -10.526 185 HA CYS 25 HA CYS 25 -1.046 -11.993 -13.015 186 HB2 CYS 25 2HB CYS 25 -3.976 -11.486 -12.495 187 HB3 CYS 25 3HB CYS 25 -3.212 -11.913 -14.022 188 H CYS 26 H CYS 26 -1.428 -10.157 -14.478 189 HA CYS 26 HA CYS 26 -1.692 -7.610 -13.020 190 HB2 CYS 26 2HB CYS 26 0.681 -8.278 -13.740 191 HB3 CYS 26 3HB CYS 26 0.133 -7.985 -15.388 192 H SER 27 H SER 27 -3.781 -8.984 -14.374 193 HA SER 27 HA SER 27 -4.591 -6.890 -16.194 194 HB2 SER 27 2HB SER 27 -3.440 -8.326 -17.763 195 HB3 SER 27 3HB SER 27 -4.279 -9.747 -17.143 196 HG SER 27 HG SER 27 -5.570 -9.276 -18.760 Start of MODEL 3 1 H1 LYS 1 H LYS 1 5.240 0.362 -2.129 2 HA LYS 1 HA LYS 1 3.898 1.063 -0.280 3 HB2 LYS 1 2HB LYS 1 5.085 3.617 -1.097 4 HB3 LYS 1 3HB LYS 1 3.395 3.745 -0.626 5 HG2 LYS 1 2HG LYS 1 3.871 2.791 1.530 6 HG3 LYS 1 3HG LYS 1 5.545 2.482 1.062 7 HD2 LYS 1 2HD LYS 1 5.853 4.930 0.761 8 HD3 LYS 1 3HD LYS 1 4.218 5.173 1.382 9 HE2 LYS 1 2HE LYS 1 5.792 5.518 3.167 10 HE3 LYS 1 3HE LYS 1 4.895 4.031 3.475 11 HZ1 LYS 1 1HZ LYS 1 7.240 3.492 1.977 12 HZ2 LYS 1 2HZ LYS 1 6.773 2.881 3.484 13 HZ3 LYS 1 3HZ LYS 1 7.635 4.334 3.390 14 H LYS 2 H LYS 2 3.816 2.117 -3.595 15 HA LYS 2 HA LYS 2 0.903 1.689 -3.608 16 HB2 LYS 2 2HB LYS 2 2.490 3.963 -4.686 17 HB3 LYS 2 3HB LYS 2 1.128 3.403 -5.648 18 HG2 LYS 2 2HG LYS 2 0.570 3.811 -2.790 19 HG3 LYS 2 3HG LYS 2 0.952 5.267 -3.713 20 HD2 LYS 2 2HD LYS 2 -0.762 4.167 -5.420 21 HD3 LYS 2 3HD LYS 2 -1.364 3.419 -3.938 22 HE2 LYS 2 2HE LYS 2 -2.586 5.311 -3.807 23 HE3 LYS 2 3HE LYS 2 -1.106 5.965 -3.106 24 HZ1 LYS 2 1HZ LYS 2 -2.283 6.436 -5.737 25 HZ2 LYS 2 2HZ LYS 2 -0.595 6.406 -5.642 26 HZ3 LYS 2 3HZ LYS 2 -1.475 7.507 -4.706 27 H LYS 3 H LYS 3 0.360 0.044 -4.863 28 HA LYS 3 HA LYS 3 0.402 -1.558 -6.478 29 HB2 LYS 3 2HB LYS 3 0.931 0.929 -7.757 30 HB3 LYS 3 3HB LYS 3 1.943 -0.290 -8.520 31 HG2 LYS 3 2HG LYS 3 0.215 -1.184 -9.589 32 HG3 LYS 3 3HG LYS 3 -0.763 -1.236 -8.121 33 HD2 LYS 3 2HD LYS 3 -0.381 1.454 -9.222 34 HD3 LYS 3 3HD LYS 3 -1.262 0.353 -10.284 35 HE2 LYS 3 2HE LYS 3 -2.819 -0.149 -8.462 36 HE3 LYS 3 3HE LYS 3 -1.937 0.951 -7.404 37 HZ1 LYS 3 1HZ LYS 3 -2.735 2.170 -9.874 38 HZ2 LYS 3 2HZ LYS 3 -2.956 2.707 -8.286 39 HZ3 LYS 3 3HZ LYS 3 -4.052 1.615 -8.969 40 H SER 4 H SER 4 2.046 -2.621 -8.186 41 HA SER 4 HA SER 4 4.699 -2.785 -6.935 42 HB2 SER 4 2HB SER 4 4.420 -5.354 -7.575 43 HB3 SER 4 3HB SER 4 3.875 -4.727 -6.020 44 HG SER 4 HG SER 4 1.897 -5.159 -6.571 45 H GLY 5 H GLY 5 3.057 -4.525 -9.575 46 HA2 GLY 5 2HA GLY 5 3.453 -4.463 -11.859 47 HA3 GLY 5 3HA GLY 5 4.590 -3.150 -11.593 48 H VAL 6 H VAL 6 4.335 -6.605 -10.734 49 HA VAL 6 HA VAL 6 7.169 -6.971 -10.817 50 HB VAL 6 HB VAL 6 5.032 -9.104 -10.853 51 HG11 VAL 6 1HG1 VAL 6 7.586 -9.570 -9.485 52 HG12 VAL 6 2HG1 VAL 6 6.654 -10.629 -10.545 53 HG13 VAL 6 3HG1 VAL 6 7.706 -9.393 -11.236 54 HG21 VAL 6 1HG2 VAL 6 4.767 -7.494 -8.979 55 HG22 VAL 6 2HG2 VAL 6 5.148 -9.132 -8.451 56 HG23 VAL 6 3HG2 VAL 6 6.403 -7.893 -8.455 57 H ILE 7 H ILE 7 4.702 -8.723 -12.695 58 HA ILE 7 HA ILE 7 6.252 -8.265 -15.133 59 HB ILE 7 HB ILE 7 5.442 -11.013 -14.177 60 HG12 ILE 7 2HG1 ILE 7 7.470 -10.105 -13.089 61 HG13 ILE 7 3HG1 ILE 7 7.832 -11.483 -14.123 62 HG21 ILE 7 1HG2 ILE 7 6.654 -10.082 -16.771 63 HG22 ILE 7 2HG2 ILE 7 6.633 -11.765 -16.248 64 HG23 ILE 7 3HG2 ILE 7 5.116 -10.913 -16.535 65 HD11 ILE 7 1HD1 ILE 7 9.004 -8.935 -14.156 66 HD12 ILE 7 2HD1 ILE 7 9.295 -10.281 -15.258 67 HD13 ILE 7 3HD1 ILE 7 8.064 -9.078 -15.641 68 HA PRO 8 HA PRO 8 1.947 -7.593 -16.267 69 HB2 PRO 8 2HB PRO 8 2.527 -6.363 -18.617 70 HB3 PRO 8 3HB PRO 8 2.601 -5.537 -17.056 71 HG2 PRO 8 2HG PRO 8 4.820 -6.720 -18.681 72 HG3 PRO 8 3HG PRO 8 4.772 -5.176 -17.810 73 HD2 PRO 8 2HD PRO 8 6.003 -7.373 -16.814 74 HD3 PRO 8 3HD PRO 8 5.217 -6.166 -15.776 75 H DBB 9 H DBB 9 1.384 -9.758 -16.631 76 HA DBB 9 HA DBB 9 2.071 -10.887 -19.295 77 HB2 DBB 9 3HB DBB 9 -0.682 -11.207 -18.076 78 HG1 DBB 9 1HG DBB 9 -1.370 -9.280 -19.588 79 HG2 DBB 9 2HG DBB 9 -0.413 -8.804 -18.165 80 HG3 DBB 9 3HG DBB 9 0.359 -8.895 -19.766 81 H VAL 10 H VAL 10 0.724 -11.457 -16.058 82 HA VAL 10 HA VAL 10 1.857 -14.177 -16.169 83 HB VAL 10 HB VAL 10 1.597 -12.338 -13.787 84 HG11 VAL 10 1HG1 VAL 10 1.120 -14.584 -13.076 85 HG12 VAL 10 2HG1 VAL 10 2.524 -15.203 -13.949 86 HG13 VAL 10 3HG1 VAL 10 2.747 -14.156 -12.547 87 HG21 VAL 10 1HG2 VAL 10 3.982 -12.294 -13.754 88 HG22 VAL 10 2HG2 VAL 10 4.081 -13.517 -15.021 89 HG23 VAL 10 3HG2 VAL 10 3.470 -11.906 -15.397 90 H DAL 11 H DAL 11 -0.928 -12.254 -15.612 91 HA DAL 11 HA DAL 11 -3.131 -12.758 -15.094 92 HB1 DAL 11 2HB DAL 11 -3.215 -14.925 -13.469 93 HB2 DAL 11 3HB DAL 11 -1.504 -14.482 -13.266 94 H HIS 12 H HIS 12 -4.797 -14.378 -15.496 95 HA HIS 12 HA HIS 12 -3.931 -16.678 -17.086 96 HB2 HIS 12 2HB HIS 12 -6.734 -16.015 -16.175 97 HB3 HIS 12 3HB HIS 12 -6.144 -17.558 -16.786 98 HD1 HIS 12 HD1 HIS 12 -6.294 -15.465 -13.716 99 HD2 HIS 12 HD2 HIS 12 -4.654 -19.083 -14.934 100 HE1 HIS 12 HE1 HIS 12 -5.596 -16.632 -11.601 101 H ASP 13 H ASP 13 -5.797 -13.710 -17.305 102 HA ASP 13 HA ASP 13 -6.611 -14.232 -20.031 103 HB2 ASP 13 2HB ASP 13 -7.605 -12.645 -17.993 104 HB3 ASP 13 3HB ASP 13 -6.893 -11.477 -19.103 105 H CYS 14 H CYS 14 -4.328 -12.116 -18.347 106 HA CYS 14 HA CYS 14 -2.614 -10.810 -19.091 107 HB2 CYS 14 2HB CYS 14 -2.002 -13.260 -19.775 108 HB3 CYS 14 3HB CYS 14 -2.282 -12.678 -21.412 109 H HIS 15 H HIS 15 -3.827 -8.994 -19.685 110 HA HIS 15 HA HIS 15 -4.115 -8.643 -22.593 111 HB2 HIS 15 2HB HIS 15 -6.123 -8.303 -20.471 112 HB3 HIS 15 3HB HIS 15 -6.004 -6.941 -21.582 113 HD1 HIS 15 HD1 HIS 15 -8.066 -7.269 -22.960 114 HD2 HIS 15 HD2 HIS 15 -5.797 -10.735 -22.650 115 HE1 HIS 15 HE1 HIS 15 -9.130 -8.912 -24.539 116 H MET 16 H MET 16 -4.674 -6.439 -19.871 117 HA MET 16 HA MET 16 -2.258 -5.079 -19.894 118 HB2 MET 16 2HB MET 16 -3.762 -4.554 -22.238 119 HB3 MET 16 3HB MET 16 -3.842 -3.107 -21.242 120 HG2 MET 16 2HG MET 16 -1.195 -3.761 -21.092 121 HG3 MET 16 3HG MET 16 -1.610 -4.240 -22.737 122 HE1 MET 16 1HE MET 16 0.249 -1.872 -21.215 123 HE2 MET 16 2HE MET 16 0.514 -2.100 -22.943 124 HE3 MET 16 3HE MET 16 0.130 -0.497 -22.314 125 H ASN 17 H ASN 17 -2.232 -3.920 -18.081 126 HA ASN 17 HA ASN 17 -4.187 -2.106 -17.252 127 HB2 ASN 17 2HB ASN 17 -4.699 -4.891 -16.510 128 HB3 ASN 17 3HB ASN 17 -4.656 -3.804 -15.125 129 HD21 ASN 17 1HD2 ASN 17 -6.838 -5.284 -16.590 130 HD22 ASN 17 2HD2 ASN 17 -8.038 -4.077 -16.891 131 H DAL 18 H DAL 18 -2.650 -4.514 -15.160 132 HA DAL 18 HA DAL 18 -0.345 -2.869 -14.554 133 HB1 DAL 18 2HB DAL 18 -0.057 -4.625 -12.699 134 HB2 DAL 18 3HB DAL 18 -1.511 -5.412 -13.356 135 H PHE 19 H PHE 19 -2.862 -4.172 -12.388 136 HA PHE 19 HA PHE 19 -2.599 -1.753 -10.753 137 HB2 PHE 19 2HB PHE 19 -5.189 -2.897 -11.806 138 HB3 PHE 19 3HB PHE 19 -5.107 -1.738 -10.482 139 HD1 PHE 19 HD1 PHE 19 -5.051 0.542 -10.916 140 HD2 PHE 19 HD2 PHE 19 -4.169 -2.207 -14.044 141 HE1 PHE 19 HE1 PHE 19 -5.041 2.394 -12.537 142 HE2 PHE 19 HE2 PHE 19 -4.157 -0.360 -15.669 143 HZ PHE 19 HZ PHE 19 -4.592 1.944 -14.916 144 H GLN 20 H GLN 20 -4.412 -4.824 -10.896 145 HA GLN 20 HA GLN 20 -3.708 -5.254 -8.068 146 HB2 GLN 20 2HB GLN 20 -6.221 -5.302 -9.361 147 HB3 GLN 20 3HB GLN 20 -5.838 -6.968 -8.946 148 HG2 GLN 20 2HG GLN 20 -5.596 -6.410 -6.638 149 HG3 GLN 20 3HG GLN 20 -5.730 -4.688 -6.989 150 HE21 GLN 20 1HE2 GLN 20 -7.553 -7.665 -7.648 151 HE22 GLN 20 2HE2 GLN 20 -9.100 -7.008 -7.245 152 H PHE 21 H PHE 21 -2.315 -6.831 -7.676 153 HA PHE 21 HA PHE 21 -1.819 -8.833 -9.757 154 HB2 PHE 21 2HB PHE 21 -0.173 -7.484 -7.751 155 HB3 PHE 21 3HB PHE 21 0.093 -9.224 -7.802 156 HD1 PHE 21 HD1 PHE 21 1.731 -9.986 -9.206 157 HD2 PHE 21 HD2 PHE 21 -0.300 -6.375 -10.182 158 HE1 PHE 21 HE1 PHE 21 3.180 -9.707 -11.176 159 HE2 PHE 21 HE2 PHE 21 1.145 -6.091 -12.153 160 HZ PHE 21 HZ PHE 21 2.887 -7.758 -12.653 161 H VAL 22 H VAL 22 -3.713 -10.072 -9.268 162 HA VAL 22 HA VAL 22 -4.027 -11.259 -6.666 163 HB VAL 22 HB VAL 22 -5.782 -12.657 -7.844 164 HG11 VAL 22 1HG1 VAL 22 -5.782 -9.715 -7.518 165 HG12 VAL 22 2HG1 VAL 22 -7.137 -10.425 -8.398 166 HG13 VAL 22 3HG1 VAL 22 -6.787 -10.943 -6.748 167 HG21 VAL 22 1HG2 VAL 22 -4.466 -11.682 -10.125 168 HG22 VAL 22 2HG2 VAL 22 -5.924 -12.673 -10.063 169 HG23 VAL 22 3HG2 VAL 22 -6.054 -10.914 -10.106 170 H PHE 23 H PHE 23 -2.189 -12.450 -6.225 171 HA PHE 23 HA PHE 23 -1.077 -14.449 -6.071 172 HB2 PHE 23 2HB PHE 23 -3.323 -15.345 -7.098 173 HB3 PHE 23 3HB PHE 23 -2.360 -15.500 -8.563 174 HD1 PHE 23 HD1 PHE 23 -1.828 -16.215 -4.936 175 HD2 PHE 23 HD2 PHE 23 -1.633 -17.632 -8.944 176 HE1 PHE 23 HE1 PHE 23 -0.955 -18.369 -4.128 177 HE2 PHE 23 HE2 PHE 23 -0.760 -19.788 -8.143 178 HZ PHE 23 HZ PHE 23 -0.421 -20.159 -5.732 179 H DBU 24 H DBU 24 -0.871 -12.176 -8.357 180 HB DBU 24 HB DBU 24 2.803 -12.424 -10.059 181 HG1 DBU 24 1HG DBU 24 2.216 -12.920 -7.109 182 HG2 DBU 24 2HG DBU 24 3.767 -12.746 -7.942 183 HG3 DBU 24 3HG DBU 24 2.863 -14.267 -8.054 184 H CYS 25 H CYS 25 -1.555 -12.374 -10.388 185 HA CYS 25 HA CYS 25 -0.968 -12.129 -13.135 186 HB2 CYS 25 2HB CYS 25 -3.473 -11.146 -11.763 187 HB3 CYS 25 3HB CYS 25 -3.300 -11.661 -13.437 188 H CYS 26 H CYS 26 -2.431 -10.015 -14.086 189 HA CYS 26 HA CYS 26 -1.610 -7.545 -12.876 190 HB2 CYS 26 2HB CYS 26 0.489 -8.322 -13.986 191 HB3 CYS 26 3HB CYS 26 -0.362 -8.293 -15.527 192 H SER 27 H SER 27 -4.073 -7.890 -13.171 193 HA SER 27 HA SER 27 -4.865 -6.740 -15.767 194 HB2 SER 27 2HB SER 27 -5.689 -9.125 -15.035 195 HB3 SER 27 3HB SER 27 -6.814 -8.212 -14.030 196 HG SER 27 HG SER 27 -6.518 -7.601 -16.762 Start of MODEL 4 1 H1 LYS 1 H LYS 1 4.753 2.047 0.056 2 HA LYS 1 HA LYS 1 4.175 -0.121 -1.855 3 HB2 LYS 1 2HB LYS 1 3.388 -0.020 0.748 4 HB3 LYS 1 3HB LYS 1 2.016 0.747 -0.041 5 HG2 LYS 1 2HG LYS 1 1.839 -1.224 -1.536 6 HG3 LYS 1 3HG LYS 1 3.122 -1.996 -0.600 7 HD2 LYS 1 2HD LYS 1 1.786 -2.119 1.330 8 HD3 LYS 1 3HD LYS 1 0.617 -0.959 0.696 9 HE2 LYS 1 2HE LYS 1 0.322 -2.773 -1.180 10 HE3 LYS 1 3HE LYS 1 0.974 -3.849 0.054 11 HZ1 LYS 1 1HZ LYS 1 -1.180 -3.996 0.633 12 HZ2 LYS 1 2HZ LYS 1 -1.602 -2.517 -0.070 13 HZ3 LYS 1 3HZ LYS 1 -0.873 -2.550 1.457 14 H LYS 2 H LYS 2 4.713 2.639 -2.540 15 HA LYS 2 HA LYS 2 2.441 4.185 -2.971 16 HB2 LYS 2 2HB LYS 2 5.166 4.257 -3.729 17 HB3 LYS 2 3HB LYS 2 4.227 4.443 -5.204 18 HG2 LYS 2 2HG LYS 2 3.046 6.099 -3.243 19 HG3 LYS 2 3HG LYS 2 4.790 6.366 -3.188 20 HD2 LYS 2 2HD LYS 2 4.145 7.877 -4.805 21 HD3 LYS 2 3HD LYS 2 4.567 6.473 -5.788 22 HE2 LYS 2 2HE LYS 2 2.338 5.935 -6.191 23 HE3 LYS 2 3HE LYS 2 1.762 6.878 -4.818 24 HZ1 LYS 2 1HZ LYS 2 2.130 8.879 -5.970 25 HZ2 LYS 2 2HZ LYS 2 1.364 7.861 -7.082 26 HZ3 LYS 2 3HZ LYS 2 3.032 8.124 -7.186 27 H LYS 3 H LYS 3 3.741 1.493 -4.818 28 HA LYS 3 HA LYS 3 1.281 0.816 -5.970 29 HB2 LYS 3 2HB LYS 3 2.799 2.849 -7.401 30 HB3 LYS 3 3HB LYS 3 2.496 1.428 -8.392 31 HG2 LYS 3 2HG LYS 3 0.155 2.353 -6.909 32 HG3 LYS 3 3HG LYS 3 0.785 3.525 -8.069 33 HD2 LYS 3 2HD LYS 3 0.110 2.310 -9.829 34 HD3 LYS 3 3HD LYS 3 0.657 0.795 -9.108 35 HE2 LYS 3 2HE LYS 3 -1.772 2.131 -8.010 36 HE3 LYS 3 3HE LYS 3 -1.896 1.249 -9.532 37 HZ1 LYS 3 1HZ LYS 3 -0.938 -0.694 -8.374 38 HZ2 LYS 3 2HZ LYS 3 -2.433 -0.216 -7.742 39 HZ3 LYS 3 3HZ LYS 3 -1.005 0.163 -6.917 40 H SER 4 H SER 4 1.555 -0.840 -7.755 41 HA SER 4 HA SER 4 4.097 -2.290 -7.401 42 HB2 SER 4 2HB SER 4 2.780 -4.395 -7.619 43 HB3 SER 4 3HB SER 4 2.346 -3.457 -6.190 44 HG SER 4 HG SER 4 0.403 -3.259 -6.952 45 H GLY 5 H GLY 5 4.314 -4.045 -9.184 46 HA2 GLY 5 2HA GLY 5 3.121 -3.900 -11.663 47 HA3 GLY 5 3HA GLY 5 4.373 -2.667 -11.685 48 H VAL 6 H VAL 6 4.192 -5.979 -10.375 49 HA VAL 6 HA VAL 6 6.823 -6.683 -10.753 50 HB VAL 6 HB VAL 6 4.479 -8.556 -11.102 51 HG11 VAL 6 1HG1 VAL 6 5.948 -10.228 -11.156 52 HG12 VAL 6 2HG1 VAL 6 7.208 -9.012 -11.374 53 HG13 VAL 6 3HG1 VAL 6 6.816 -9.597 -9.757 54 HG21 VAL 6 1HG2 VAL 6 4.781 -8.979 -8.659 55 HG22 VAL 6 2HG2 VAL 6 5.862 -7.587 -8.605 56 HG23 VAL 6 3HG2 VAL 6 4.169 -7.371 -9.046 57 H ILE 7 H ILE 7 4.432 -8.253 -12.822 58 HA ILE 7 HA ILE 7 5.837 -7.377 -15.222 59 HB ILE 7 HB ILE 7 5.513 -10.044 -15.787 60 HG12 ILE 7 2HG1 ILE 7 6.853 -9.969 -13.093 61 HG13 ILE 7 3HG1 ILE 7 5.128 -10.282 -13.245 62 HG21 ILE 7 1HG2 ILE 7 7.845 -10.097 -15.999 63 HG22 ILE 7 2HG2 ILE 7 7.419 -8.402 -16.229 64 HG23 ILE 7 3HG2 ILE 7 8.078 -8.943 -14.686 65 HD11 ILE 7 1HD1 ILE 7 7.306 -12.082 -13.533 66 HD12 ILE 7 2HD1 ILE 7 5.575 -12.413 -13.597 67 HD13 ILE 7 3HD1 ILE 7 6.445 -11.980 -15.068 68 HA PRO 8 HA PRO 8 1.470 -7.282 -16.255 69 HB2 PRO 8 2HB PRO 8 1.808 -5.892 -18.562 70 HB3 PRO 8 3HB PRO 8 1.822 -5.127 -16.969 71 HG2 PRO 8 2HG PRO 8 4.124 -5.937 -18.701 72 HG3 PRO 8 3HG PRO 8 3.900 -4.450 -17.762 73 HD2 PRO 8 2HD PRO 8 5.442 -6.501 -16.897 74 HD3 PRO 8 3HD PRO 8 4.537 -5.452 -15.786 75 H DBB 9 H DBB 9 0.374 -8.842 -17.260 76 HA DBB 9 HA DBB 9 1.287 -9.902 -19.850 77 HB2 DBB 9 3HB DBB 9 -1.126 -9.259 -19.414 78 HG1 DBB 9 1HG DBB 9 -0.193 -11.120 -21.046 79 HG2 DBB 9 2HG DBB 9 -0.994 -12.234 -19.913 80 HG3 DBB 9 3HG DBB 9 -1.945 -10.992 -20.759 81 H VAL 10 H VAL 10 0.506 -11.005 -16.564 82 HA VAL 10 HA VAL 10 1.982 -13.491 -17.145 83 HB VAL 10 HB VAL 10 2.666 -13.501 -14.749 84 HG11 VAL 10 1HG1 VAL 10 4.121 -11.251 -15.146 85 HG12 VAL 10 2HG1 VAL 10 4.481 -12.811 -15.888 86 HG13 VAL 10 3HG1 VAL 10 3.579 -11.591 -16.789 87 HG21 VAL 10 1HG2 VAL 10 1.032 -12.117 -13.730 88 HG22 VAL 10 2HG2 VAL 10 2.570 -11.268 -13.578 89 HG23 VAL 10 3HG2 VAL 10 1.405 -10.768 -14.803 90 H DAL 11 H DAL 11 -0.937 -12.125 -16.190 91 HA DAL 11 HA DAL 11 -2.942 -12.999 -15.426 92 HB1 DAL 11 2HB DAL 11 -2.532 -14.935 -13.640 93 HB2 DAL 11 3HB DAL 11 -0.857 -14.342 -13.715 94 H HIS 12 H HIS 12 -4.218 -15.065 -15.360 95 HA HIS 12 HA HIS 12 -3.097 -17.154 -17.085 96 HB2 HIS 12 2HB HIS 12 -5.348 -17.072 -15.110 97 HB3 HIS 12 3HB HIS 12 -5.351 -18.293 -16.379 98 HD1 HIS 12 HD1 HIS 12 -3.222 -19.930 -16.388 99 HD2 HIS 12 HD2 HIS 12 -3.764 -17.646 -12.960 100 HE1 HIS 12 HE1 HIS 12 -1.807 -21.024 -14.620 101 H ASP 13 H ASP 13 -4.791 -14.377 -17.425 102 HA ASP 13 HA ASP 13 -5.531 -14.850 -20.083 103 HB2 ASP 13 2HB ASP 13 -8.045 -14.684 -19.768 104 HB3 ASP 13 3HB ASP 13 -7.316 -16.229 -19.339 105 H CYS 14 H CYS 14 -4.157 -12.857 -18.760 106 HA CYS 14 HA CYS 14 -5.973 -10.561 -18.665 107 HB2 CYS 14 2HB CYS 14 -4.215 -9.368 -17.560 108 HB3 CYS 14 3HB CYS 14 -4.322 -10.957 -16.809 109 H HIS 15 H HIS 15 -4.638 -8.465 -19.450 110 HA HIS 15 HA HIS 15 -3.565 -9.061 -22.124 111 HB2 HIS 15 2HB HIS 15 -6.022 -7.784 -21.549 112 HB3 HIS 15 3HB HIS 15 -4.925 -6.529 -22.117 113 HD1 HIS 15 HD1 HIS 15 -3.565 -7.415 -24.441 114 HD2 HIS 15 HD2 HIS 15 -7.339 -8.933 -23.597 115 HE1 HIS 15 HE1 HIS 15 -4.436 -8.305 -26.626 116 H MET 16 H MET 16 -4.117 -6.162 -20.119 117 HA MET 16 HA MET 16 -1.442 -5.708 -19.453 118 HB2 MET 16 2HB MET 16 -2.113 -4.986 -22.159 119 HB3 MET 16 3HB MET 16 -1.692 -3.546 -21.242 120 HG2 MET 16 2HG MET 16 0.277 -5.279 -20.501 121 HG3 MET 16 3HG MET 16 -0.012 -5.742 -22.177 122 HE1 MET 16 1HE MET 16 1.683 -4.890 -23.780 123 HE2 MET 16 2HE MET 16 0.181 -4.080 -24.224 124 HE3 MET 16 3HE MET 16 1.698 -3.179 -24.207 125 H ASN 17 H ASN 17 -1.732 -4.627 -17.626 126 HA ASN 17 HA ASN 17 -3.198 -2.136 -17.616 127 HB2 ASN 17 2HB ASN 17 -4.106 -4.511 -15.983 128 HB3 ASN 17 3HB ASN 17 -4.577 -2.853 -15.619 129 HD21 ASN 17 1HD2 ASN 17 -5.485 -1.653 -17.564 130 HD22 ASN 17 2HD2 ASN 17 -6.620 -2.526 -18.532 131 H DAL 18 H DAL 18 -2.334 -4.398 -15.013 132 HA DAL 18 HA DAL 18 0.067 -2.961 -14.270 133 HB1 DAL 18 2HB DAL 18 0.028 -4.504 -12.296 134 HB2 DAL 18 3HB DAL 18 -1.564 -5.097 -12.825 135 H PHE 19 H PHE 19 -2.964 -3.608 -12.493 136 HA PHE 19 HA PHE 19 -2.703 -0.931 -11.291 137 HB2 PHE 19 2HB PHE 19 -5.050 -0.703 -11.264 138 HB3 PHE 19 3HB PHE 19 -4.687 -1.383 -12.847 139 HD1 PHE 19 HD1 PHE 19 -6.335 -1.897 -9.668 140 HD2 PHE 19 HD2 PHE 19 -5.140 -3.767 -13.301 141 HE1 PHE 19 HE1 PHE 19 -7.891 -3.750 -9.222 142 HE2 PHE 19 HE2 PHE 19 -6.695 -5.622 -12.861 143 HZ PHE 19 HZ PHE 19 -8.074 -5.615 -10.820 144 H GLN 20 H GLN 20 -3.053 -4.314 -10.738 145 HA GLN 20 HA GLN 20 -2.303 -4.175 -8.048 146 HB2 GLN 20 2HB GLN 20 -4.871 -3.361 -8.229 147 HB3 GLN 20 3HB GLN 20 -5.116 -5.094 -8.059 148 HG2 GLN 20 2HG GLN 20 -3.184 -4.210 -6.146 149 HG3 GLN 20 3HG GLN 20 -4.630 -3.207 -6.041 150 HE21 GLN 20 1HE2 GLN 20 -3.559 -6.572 -6.155 151 HE22 GLN 20 2HE2 GLN 20 -4.820 -7.194 -5.152 152 H PHE 21 H PHE 21 -1.561 -6.119 -7.434 153 HA PHE 21 HA PHE 21 -2.144 -8.394 -9.186 154 HB2 PHE 21 2HB PHE 21 0.089 -7.927 -7.201 155 HB3 PHE 21 3HB PHE 21 -0.118 -9.408 -8.130 156 HD1 PHE 21 HD1 PHE 21 0.174 -5.726 -8.632 157 HD2 PHE 21 HD2 PHE 21 1.004 -9.625 -10.124 158 HE1 PHE 21 HE1 PHE 21 1.464 -4.740 -10.480 159 HE2 PHE 21 HE2 PHE 21 2.297 -8.645 -11.974 160 HZ PHE 21 HZ PHE 21 2.529 -6.200 -12.154 161 H VAL 22 H VAL 22 -4.017 -9.263 -8.410 162 HA VAL 22 HA VAL 22 -4.455 -9.674 -5.596 163 HB VAL 22 HB VAL 22 -6.513 -10.831 -6.287 164 HG11 VAL 22 1HG1 VAL 22 -7.395 -8.796 -6.317 165 HG12 VAL 22 2HG1 VAL 22 -5.832 -8.112 -6.769 166 HG13 VAL 22 3HG1 VAL 22 -6.962 -8.635 -8.019 167 HG21 VAL 22 1HG2 VAL 22 -6.890 -11.616 -8.349 168 HG22 VAL 22 2HG2 VAL 22 -6.278 -10.152 -9.119 169 HG23 VAL 22 3HG2 VAL 22 -5.156 -11.408 -8.597 170 H PHE 23 H PHE 23 -2.754 -11.321 -7.986 171 HA PHE 23 HA PHE 23 -2.046 -13.449 -6.272 172 HB2 PHE 23 2HB PHE 23 -4.390 -14.129 -6.996 173 HB3 PHE 23 3HB PHE 23 -3.730 -14.331 -8.615 174 HD1 PHE 23 HD1 PHE 23 -3.416 -16.529 -9.161 175 HD2 PHE 23 HD2 PHE 23 -2.613 -15.267 -5.176 176 HE1 PHE 23 HE1 PHE 23 -2.705 -18.812 -8.585 177 HE2 PHE 23 HE2 PHE 23 -1.900 -17.548 -4.594 178 HZ PHE 23 HZ PHE 23 -1.944 -19.324 -6.299 179 H DBU 24 H DBU 24 -0.884 -11.449 -8.051 180 HB DBU 24 HB DBU 24 2.441 -12.515 -9.935 181 HG1 DBU 24 1HG DBU 24 1.693 -13.920 -7.430 182 HG2 DBU 24 2HG DBU 24 2.208 -12.260 -7.104 183 HG3 DBU 24 3HG DBU 24 3.285 -13.372 -7.969 184 H CYS 25 H CYS 25 -1.828 -12.103 -10.517 185 HA CYS 25 HA CYS 25 -0.867 -11.790 -13.201 186 HB2 CYS 25 2HB CYS 25 -3.696 -11.307 -12.281 187 HB3 CYS 25 3HB CYS 25 -3.140 -11.842 -13.864 188 H CYS 26 H CYS 26 -2.061 -9.974 -14.537 189 HA CYS 26 HA CYS 26 -1.892 -7.422 -13.094 190 HB2 CYS 26 2HB CYS 26 0.119 -8.292 -14.753 191 HB3 CYS 26 3HB CYS 26 -0.864 -7.316 -15.840 192 H SER 27 H SER 27 -4.137 -9.050 -14.056 193 HA SER 27 HA SER 27 -5.238 -8.064 -16.431 194 HB2 SER 27 2HB SER 27 -6.749 -8.973 -13.970 195 HB3 SER 27 3HB SER 27 -7.364 -8.922 -15.622 196 HG SER 27 HG SER 27 -6.032 -10.882 -14.419 Start of MODEL 5 1 H1 LYS 1 H LYS 1 0.288 2.622 -4.692 2 HA LYS 1 HA LYS 1 0.015 4.739 -5.612 3 HB2 LYS 1 2HB LYS 1 1.420 6.640 -4.775 4 HB3 LYS 1 3HB LYS 1 0.380 5.912 -3.558 5 HG2 LYS 1 2HG LYS 1 2.369 4.567 -2.815 6 HG3 LYS 1 3HG LYS 1 3.349 5.572 -3.886 7 HD2 LYS 1 2HD LYS 1 1.615 7.159 -2.185 8 HD3 LYS 1 3HD LYS 1 2.689 6.118 -1.247 9 HE2 LYS 1 2HE LYS 1 4.620 7.028 -2.340 10 HE3 LYS 1 3HE LYS 1 3.613 7.932 -3.471 11 HZ1 LYS 1 1HZ LYS 1 4.201 9.513 -1.918 12 HZ2 LYS 1 2HZ LYS 1 4.099 8.445 -0.611 13 HZ3 LYS 1 3HZ LYS 1 2.688 9.019 -1.346 14 H LYS 2 H LYS 2 3.188 3.374 -4.984 15 HA LYS 2 HA LYS 2 3.921 3.971 -7.769 16 HB2 LYS 2 2HB LYS 2 6.309 4.200 -6.923 17 HB3 LYS 2 3HB LYS 2 5.217 5.527 -6.550 18 HG2 LYS 2 2HG LYS 2 5.263 5.125 -4.325 19 HG3 LYS 2 3HG LYS 2 5.432 3.380 -4.531 20 HD2 LYS 2 2HD LYS 2 7.743 3.541 -4.916 21 HD3 LYS 2 3HD LYS 2 7.658 5.278 -5.219 22 HE2 LYS 2 2HE LYS 2 7.239 5.732 -2.915 23 HE3 LYS 2 3HE LYS 2 7.021 4.020 -2.557 24 HZ1 LYS 2 1HZ LYS 2 9.163 3.984 -2.042 25 HZ2 LYS 2 2HZ LYS 2 9.418 5.545 -2.639 26 HZ3 LYS 2 3HZ LYS 2 9.521 4.215 -3.679 27 H LYS 3 H LYS 3 2.850 1.666 -7.555 28 HA LYS 3 HA LYS 3 4.820 -0.214 -8.181 29 HB2 LYS 3 2HB LYS 3 4.214 0.010 -5.345 30 HB3 LYS 3 3HB LYS 3 3.889 -1.606 -5.957 31 HG2 LYS 3 2HG LYS 3 6.435 -0.534 -6.874 32 HG3 LYS 3 3HG LYS 3 6.321 -0.659 -5.117 33 HD2 LYS 3 2HD LYS 3 6.113 -2.947 -5.159 34 HD3 LYS 3 3HD LYS 3 5.417 -2.961 -6.782 35 HE2 LYS 3 2HE LYS 3 8.232 -2.048 -6.426 36 HE3 LYS 3 3HE LYS 3 7.883 -3.774 -6.347 37 HZ1 LYS 3 1HZ LYS 3 8.387 -2.476 -8.611 38 HZ2 LYS 3 2HZ LYS 3 6.701 -2.349 -8.582 39 HZ3 LYS 3 3HZ LYS 3 7.435 -3.873 -8.534 40 H SER 4 H SER 4 3.736 -1.260 -9.706 41 HA SER 4 HA SER 4 0.946 -1.429 -9.887 42 HB2 SER 4 2HB SER 4 3.060 -3.155 -11.199 43 HB3 SER 4 3HB SER 4 1.362 -3.103 -11.673 44 HG SER 4 HG SER 4 1.655 -0.874 -12.139 45 H GLY 5 H GLY 5 3.339 -3.754 -8.693 46 HA2 GLY 5 2HA GLY 5 1.964 -4.893 -6.677 47 HA3 GLY 5 3HA GLY 5 1.298 -5.716 -8.080 48 H VAL 6 H VAL 6 2.881 -6.790 -9.529 49 HA VAL 6 HA VAL 6 5.365 -7.580 -8.195 50 HB VAL 6 HB VAL 6 3.440 -9.613 -9.326 51 HG11 VAL 6 1HG1 VAL 6 6.123 -9.825 -9.095 52 HG12 VAL 6 2HG1 VAL 6 5.614 -10.410 -7.510 53 HG13 VAL 6 3HG1 VAL 6 5.011 -11.188 -8.974 54 HG21 VAL 6 1HG2 VAL 6 2.595 -8.566 -7.247 55 HG22 VAL 6 2HG2 VAL 6 2.965 -10.280 -7.057 56 HG23 VAL 6 3HG2 VAL 6 4.077 -9.063 -6.430 57 H ILE 7 H ILE 7 3.562 -8.780 -11.020 58 HA ILE 7 HA ILE 7 5.617 -7.682 -12.787 59 HB ILE 7 HB ILE 7 4.825 -10.597 -12.767 60 HG12 ILE 7 2HG1 ILE 7 7.550 -9.346 -12.385 61 HG13 ILE 7 3HG1 ILE 7 6.508 -9.838 -11.054 62 HG21 ILE 7 1HG2 ILE 7 5.030 -10.028 -15.031 63 HG22 ILE 7 2HG2 ILE 7 6.397 -8.958 -14.728 64 HG23 ILE 7 3HG2 ILE 7 6.600 -10.705 -14.598 65 HD11 ILE 7 1HD1 ILE 7 7.249 -11.912 -11.199 66 HD12 ILE 7 2HD1 ILE 7 6.786 -12.001 -12.899 67 HD13 ILE 7 3HD1 ILE 7 8.377 -11.388 -12.449 68 HA PRO 8 HA PRO 8 1.677 -6.789 -14.772 69 HB2 PRO 8 2HB PRO 8 2.711 -4.979 -16.511 70 HB3 PRO 8 3HB PRO 8 2.340 -4.590 -14.827 71 HG2 PRO 8 2HG PRO 8 4.972 -5.279 -16.078 72 HG3 PRO 8 3HG PRO 8 4.593 -4.018 -14.889 73 HD2 PRO 8 2HD PRO 8 5.715 -6.384 -14.197 74 HD3 PRO 8 3HD PRO 8 4.609 -5.501 -13.125 75 H DBB 9 H DBB 9 1.226 -8.650 -15.897 76 HA DBB 9 HA DBB 9 2.514 -8.929 -18.566 77 HB2 DBB 9 3HB DBB 9 0.049 -8.377 -18.517 78 HG1 DBB 9 1HG DBB 9 1.347 -9.918 -20.242 79 HG2 DBB 9 2HG DBB 9 0.344 -11.205 -19.529 80 HG3 DBB 9 3HG DBB 9 -0.429 -9.803 -20.307 81 H VAL 10 H VAL 10 1.825 -10.405 -15.527 82 HA VAL 10 HA VAL 10 3.344 -12.760 -16.335 83 HB VAL 10 HB VAL 10 3.968 -11.582 -14.255 84 HG11 VAL 10 1HG1 VAL 10 2.580 -11.510 -12.350 85 HG12 VAL 10 2HG1 VAL 10 1.564 -10.986 -13.696 86 HG13 VAL 10 3HG1 VAL 10 1.414 -12.626 -13.061 87 HG21 VAL 10 1HG2 VAL 10 4.413 -14.000 -14.580 88 HG22 VAL 10 2HG2 VAL 10 4.235 -13.546 -12.885 89 HG23 VAL 10 3HG2 VAL 10 2.913 -14.357 -13.725 90 H DAL 11 H DAL 11 0.116 -11.821 -15.871 91 HA DAL 11 HA DAL 11 -1.900 -12.966 -15.894 92 HB1 DAL 11 2HB DAL 11 -1.764 -15.285 -14.664 93 HB2 DAL 11 3HB DAL 11 -0.119 -14.764 -14.231 94 H HIS 12 H HIS 12 -2.966 -14.811 -16.891 95 HA HIS 12 HA HIS 12 -1.269 -16.409 -18.666 96 HB2 HIS 12 2HB HIS 12 -3.863 -16.808 -17.360 97 HB3 HIS 12 3HB HIS 12 -3.843 -17.304 -19.050 98 HD1 HIS 12 HD1 HIS 12 -1.136 -17.704 -16.408 99 HD2 HIS 12 HD2 HIS 12 -3.530 -19.991 -18.917 100 HE1 HIS 12 HE1 HIS 12 -0.359 -20.075 -16.100 101 H ASP 13 H ASP 13 -3.159 -13.631 -18.698 102 HA ASP 13 HA ASP 13 -2.751 -13.091 -21.407 103 HB2 ASP 13 2HB ASP 13 -4.786 -14.935 -21.125 104 HB3 ASP 13 3HB ASP 13 -5.655 -13.407 -21.234 105 H CYS 14 H CYS 14 -2.643 -11.823 -18.827 106 HA CYS 14 HA CYS 14 -4.767 -9.977 -18.499 107 HB2 CYS 14 2HB CYS 14 -3.100 -8.734 -17.071 108 HB3 CYS 14 3HB CYS 14 -3.357 -10.417 -16.621 109 H HIS 15 H HIS 15 -5.277 -8.790 -20.269 110 HA HIS 15 HA HIS 15 -3.140 -7.113 -21.414 111 HB2 HIS 15 2HB HIS 15 -4.251 -8.862 -22.924 112 HB3 HIS 15 3HB HIS 15 -5.687 -7.845 -22.850 113 HD1 HIS 15 HD1 HIS 15 -1.998 -7.160 -23.547 114 HD2 HIS 15 HD2 HIS 15 -5.775 -6.282 -25.039 115 HE1 HIS 15 HE1 HIS 15 -1.605 -5.690 -25.549 116 H MET 16 H MET 16 -3.908 -5.893 -19.351 117 HA MET 16 HA MET 16 -5.741 -3.819 -20.274 118 HB2 MET 16 2HB MET 16 -7.155 -5.337 -18.980 119 HB3 MET 16 3HB MET 16 -6.044 -5.237 -17.620 120 HG2 MET 16 2HG MET 16 -7.728 -3.787 -17.012 121 HG3 MET 16 3HG MET 16 -6.520 -2.708 -17.705 122 HE1 MET 16 1HE MET 16 -10.757 -2.989 -18.518 123 HE2 MET 16 2HE MET 16 -10.153 -4.538 -19.106 124 HE3 MET 16 3HE MET 16 -9.773 -4.008 -17.467 125 H ASN 17 H ASN 17 -4.379 -4.512 -17.070 126 HA ASN 17 HA ASN 17 -2.123 -2.898 -17.201 127 HB2 ASN 17 2HB ASN 17 -4.430 -1.327 -17.289 128 HB3 ASN 17 3HB ASN 17 -3.886 -1.219 -15.617 129 HD21 ASN 17 1HD2 ASN 17 -3.679 0.220 -18.518 130 HD22 ASN 17 2HD2 ASN 17 -2.141 0.993 -18.369 131 H DAL 18 H DAL 18 -1.498 -2.081 -14.891 132 HA DAL 18 HA DAL 18 -0.867 -2.753 -12.761 133 HB1 DAL 18 2HB DAL 18 -0.475 -4.976 -12.745 134 HB2 DAL 18 3HB DAL 18 -2.213 -5.280 -12.511 135 H PHE 19 H PHE 19 -3.940 -4.508 -13.086 136 HA PHE 19 HA PHE 19 -5.365 -2.525 -11.546 137 HB2 PHE 19 2HB PHE 19 -6.091 -5.083 -12.916 138 HB3 PHE 19 3HB PHE 19 -7.176 -4.431 -11.692 139 HD1 PHE 19 HD1 PHE 19 -9.006 -3.532 -12.751 140 HD2 PHE 19 HD2 PHE 19 -5.127 -2.785 -14.335 141 HE1 PHE 19 HE1 PHE 19 -9.985 -2.018 -14.426 142 HE2 PHE 19 HE2 PHE 19 -6.099 -1.269 -16.011 143 HZ PHE 19 HZ PHE 19 -8.531 -0.884 -16.058 144 H GLN 20 H GLN 20 -4.734 -6.010 -11.108 145 HA GLN 20 HA GLN 20 -3.958 -5.733 -8.402 146 HB2 GLN 20 2HB GLN 20 -6.769 -5.805 -8.862 147 HB3 GLN 20 3HB GLN 20 -6.303 -7.325 -8.110 148 HG2 GLN 20 2HG GLN 20 -5.028 -5.828 -6.433 149 HG3 GLN 20 3HG GLN 20 -6.066 -4.544 -7.049 150 HE21 GLN 20 1HE2 GLN 20 -6.060 -7.705 -5.514 151 HE22 GLN 20 2HE2 GLN 20 -7.601 -7.543 -4.751 152 H PHE 21 H PHE 21 -3.918 -7.957 -7.294 153 HA PHE 21 HA PHE 21 -3.384 -10.030 -9.319 154 HB2 PHE 21 2HB PHE 21 -1.798 -9.242 -6.887 155 HB3 PHE 21 3HB PHE 21 -1.652 -10.851 -7.585 156 HD1 PHE 21 HD1 PHE 21 -1.749 -7.339 -8.856 157 HD2 PHE 21 HD2 PHE 21 0.167 -11.139 -8.937 158 HE1 PHE 21 HE1 PHE 21 -0.119 -6.478 -10.484 159 HE2 PHE 21 HE2 PHE 21 1.801 -10.284 -10.565 160 HZ PHE 21 HZ PHE 21 1.660 -7.951 -11.341 161 H VAL 22 H VAL 22 -5.211 -11.232 -9.123 162 HA VAL 22 HA VAL 22 -6.336 -11.892 -6.556 163 HB VAL 22 HB VAL 22 -7.872 -13.352 -7.883 164 HG11 VAL 22 1HG1 VAL 22 -7.537 -10.434 -8.403 165 HG12 VAL 22 2HG1 VAL 22 -8.793 -11.328 -9.262 166 HG13 VAL 22 3HG1 VAL 22 -8.793 -11.280 -7.499 167 HG21 VAL 22 1HG2 VAL 22 -5.855 -13.056 -9.839 168 HG22 VAL 22 2HG2 VAL 22 -7.358 -13.970 -9.954 169 HG23 VAL 22 3HG2 VAL 22 -7.310 -12.284 -10.467 170 H PHE 23 H PHE 23 -4.180 -13.381 -8.855 171 HA PHE 23 HA PHE 23 -3.551 -15.456 -6.933 172 HB2 PHE 23 2HB PHE 23 -4.562 -16.134 -9.703 173 HB3 PHE 23 3HB PHE 23 -3.831 -17.284 -8.588 174 HD1 PHE 23 HD1 PHE 23 -4.969 -17.454 -6.244 175 HD2 PHE 23 HD2 PHE 23 -6.850 -15.889 -9.728 176 HE1 PHE 23 HE1 PHE 23 -7.175 -17.888 -5.245 177 HE2 PHE 23 HE2 PHE 23 -9.058 -16.320 -8.733 178 HZ PHE 23 HZ PHE 23 -9.223 -17.320 -6.489 179 H DBU 24 H DBU 24 -2.318 -13.122 -8.391 180 HB DBU 24 HB DBU 24 1.570 -13.734 -9.220 181 HG1 DBU 24 1HG DBU 24 1.862 -14.580 -6.997 182 HG2 DBU 24 2HG DBU 24 0.703 -15.788 -7.569 183 HG3 DBU 24 3HG DBU 24 0.137 -14.369 -6.669 184 H CYS 25 H CYS 25 -2.422 -13.265 -10.855 185 HA CYS 25 HA CYS 25 -0.781 -12.366 -13.047 186 HB2 CYS 25 2HB CYS 25 -3.796 -12.321 -12.878 187 HB3 CYS 25 3HB CYS 25 -2.802 -12.325 -14.331 188 H CYS 26 H CYS 26 -1.426 -10.344 -14.252 189 HA CYS 26 HA CYS 26 -1.458 -8.133 -12.359 190 HB2 CYS 26 2HB CYS 26 0.250 -7.970 -14.012 191 HB3 CYS 26 3HB CYS 26 -0.882 -8.312 -15.315 192 H SER 27 H SER 27 -3.430 -9.535 -14.887 193 HA SER 27 HA SER 27 -5.545 -9.111 -15.614 194 HB2 SER 27 2HB SER 27 -5.620 -9.042 -12.852 195 HB3 SER 27 3HB SER 27 -6.415 -7.534 -13.307 196 HG SER 27 HG SER 27 -7.978 -9.097 -13.278 Start of MODEL 6 1 H1 LYS 1 H LYS 1 7.168 -1.415 3.464 2 HA LYS 1 HA LYS 1 7.275 -2.770 0.848 3 HB2 LYS 1 2HB LYS 1 7.398 -4.255 2.875 4 HB3 LYS 1 3HB LYS 1 5.783 -3.707 3.303 5 HG2 LYS 1 2HG LYS 1 4.887 -5.236 1.982 6 HG3 LYS 1 3HG LYS 1 5.762 -4.587 0.593 7 HD2 LYS 1 2HD LYS 1 7.001 -6.480 2.581 8 HD3 LYS 1 3HD LYS 1 6.176 -7.023 1.118 9 HE2 LYS 1 2HE LYS 1 7.912 -6.481 -0.184 10 HE3 LYS 1 3HE LYS 1 8.129 -4.922 0.611 11 HZ1 LYS 1 1HZ LYS 1 9.059 -6.481 2.503 12 HZ2 LYS 1 2HZ LYS 1 10.041 -5.935 1.238 13 HZ3 LYS 1 3HZ LYS 1 9.387 -7.494 1.188 14 H LYS 2 H LYS 2 6.336 -0.310 0.670 15 HA LYS 2 HA LYS 2 3.401 -0.559 0.731 16 HB2 LYS 2 2HB LYS 2 5.201 1.595 1.471 17 HB3 LYS 2 3HB LYS 2 4.025 2.125 0.275 18 HG2 LYS 2 2HG LYS 2 2.628 0.611 2.207 19 HG3 LYS 2 3HG LYS 2 3.682 1.732 3.071 20 HD2 LYS 2 2HD LYS 2 2.781 3.532 1.514 21 HD3 LYS 2 3HD LYS 2 1.548 2.359 1.045 22 HE2 LYS 2 2HE LYS 2 0.355 3.030 2.797 23 HE3 LYS 2 3HE LYS 2 1.584 2.308 3.835 24 HZ1 LYS 2 1HZ LYS 2 1.077 4.686 4.305 25 HZ2 LYS 2 2HZ LYS 2 1.746 5.083 2.803 26 HZ3 LYS 2 3HZ LYS 2 2.711 4.372 3.997 27 H LYS 3 H LYS 3 2.511 1.195 -0.994 28 HA LYS 3 HA LYS 3 2.088 1.575 -3.196 29 HB2 LYS 3 2HB LYS 3 4.731 2.247 -2.796 30 HB3 LYS 3 3HB LYS 3 4.817 1.146 -4.165 31 HG2 LYS 3 2HG LYS 3 2.789 2.698 -4.974 32 HG3 LYS 3 3HG LYS 3 3.672 3.856 -3.976 33 HD2 LYS 3 2HD LYS 3 5.249 2.204 -5.869 34 HD3 LYS 3 3HD LYS 3 4.226 3.469 -6.555 35 HE2 LYS 3 2HE LYS 3 6.359 4.439 -6.189 36 HE3 LYS 3 3HE LYS 3 5.296 5.063 -4.928 37 HZ1 LYS 3 1HZ LYS 3 7.097 2.743 -4.528 38 HZ2 LYS 3 2HZ LYS 3 6.252 3.609 -3.346 39 HZ3 LYS 3 3HZ LYS 3 7.544 4.334 -4.164 40 H SER 4 H SER 4 2.771 0.614 -5.537 41 HA SER 4 HA SER 4 2.362 -2.277 -5.255 42 HB2 SER 4 2HB SER 4 2.024 -0.867 -7.868 43 HB3 SER 4 3HB SER 4 1.133 -2.239 -7.210 44 HG SER 4 HG SER 4 -0.293 -0.848 -6.578 45 H GLY 5 H GLY 5 3.388 -3.707 -6.839 46 HA2 GLY 5 2HA GLY 5 5.695 -2.738 -8.277 47 HA3 GLY 5 3HA GLY 5 6.099 -3.680 -6.849 48 H VAL 6 H VAL 6 3.967 -3.862 -9.700 49 HA VAL 6 HA VAL 6 4.673 -6.718 -9.905 50 HB VAL 6 HB VAL 6 2.194 -5.873 -11.242 51 HG11 VAL 6 1HG1 VAL 6 1.619 -8.003 -9.641 52 HG12 VAL 6 2HG1 VAL 6 2.238 -8.115 -11.289 53 HG13 VAL 6 3HG1 VAL 6 3.346 -8.218 -9.920 54 HG21 VAL 6 1HG2 VAL 6 2.503 -5.700 -8.261 55 HG22 VAL 6 2HG2 VAL 6 1.770 -4.536 -9.365 56 HG23 VAL 6 3HG2 VAL 6 0.948 -6.056 -9.013 57 H ILE 7 H ILE 7 3.720 -7.333 -12.348 58 HA ILE 7 HA ILE 7 4.820 -5.398 -14.246 59 HB ILE 7 HB ILE 7 5.672 -8.294 -14.229 60 HG12 ILE 7 2HG1 ILE 7 7.249 -5.816 -13.501 61 HG13 ILE 7 3HG1 ILE 7 6.678 -7.033 -12.365 62 HG21 ILE 7 1HG2 ILE 7 5.533 -7.287 -16.455 63 HG22 ILE 7 2HG2 ILE 7 6.582 -5.974 -15.925 64 HG23 ILE 7 3HG2 ILE 7 7.203 -7.623 -16.000 65 HD11 ILE 7 1HD1 ILE 7 9.008 -7.042 -14.116 66 HD12 ILE 7 2HD1 ILE 7 8.700 -7.930 -12.623 67 HD13 ILE 7 3HD1 ILE 7 8.076 -8.539 -14.156 68 HA PRO 8 HA PRO 8 1.196 -6.650 -16.455 69 HB2 PRO 8 2HB PRO 8 1.763 -5.381 -18.787 70 HB3 PRO 8 3HB PRO 8 1.204 -4.531 -17.342 71 HG2 PRO 8 2HG PRO 8 3.988 -4.842 -18.398 72 HG3 PRO 8 3HG PRO 8 3.199 -3.401 -17.731 73 HD2 PRO 8 2HD PRO 8 4.910 -4.925 -16.288 74 HD3 PRO 8 3HD PRO 8 3.540 -4.069 -15.551 75 H DBB 9 H DBB 9 1.218 -8.791 -16.917 76 HA DBB 9 HA DBB 9 2.902 -9.698 -19.202 77 HB2 DBB 9 3HB DBB 9 0.299 -11.023 -18.425 78 HG1 DBB 9 1HG DBB 9 -0.352 -8.699 -18.628 79 HG2 DBB 9 2HG DBB 9 0.658 -8.490 -20.079 80 HG3 DBB 9 3HG DBB 9 -0.798 -9.511 -20.148 81 H VAL 10 H VAL 10 1.481 -10.448 -16.068 82 HA VAL 10 HA VAL 10 3.359 -12.710 -15.837 83 HB VAL 10 HB VAL 10 3.560 -12.260 -13.469 84 HG11 VAL 10 1HG1 VAL 10 5.266 -11.024 -14.209 85 HG12 VAL 10 2HG1 VAL 10 4.303 -10.322 -15.510 86 HG13 VAL 10 3HG1 VAL 10 4.239 -9.627 -13.890 87 HG21 VAL 10 1HG2 VAL 10 1.406 -11.435 -12.904 88 HG22 VAL 10 2HG2 VAL 10 2.553 -10.146 -12.541 89 HG23 VAL 10 3HG2 VAL 10 1.569 -10.065 -14.002 90 H DAL 11 H DAL 11 0.124 -11.758 -15.826 91 HA DAL 11 HA DAL 11 -1.870 -12.854 -15.385 92 HB1 DAL 11 2HB DAL 11 -1.577 -14.522 -13.290 93 HB2 DAL 11 3HB DAL 11 -0.092 -13.565 -13.073 94 H HIS 12 H HIS 12 -2.865 -15.019 -15.433 95 HA HIS 12 HA HIS 12 -1.097 -17.141 -16.404 96 HB2 HIS 12 2HB HIS 12 -2.875 -17.488 -14.571 97 HB3 HIS 12 3HB HIS 12 -4.049 -17.426 -15.883 98 HD1 HIS 12 HD1 HIS 12 -4.485 -19.569 -17.067 99 HD2 HIS 12 HD2 HIS 12 -0.930 -19.663 -14.920 100 HE1 HIS 12 HE1 HIS 12 -3.660 -21.938 -17.238 101 H ASP 13 H ASP 13 -3.399 -14.845 -17.493 102 HA ASP 13 HA ASP 13 -3.412 -16.122 -20.149 103 HB2 ASP 13 2HB ASP 13 -5.640 -15.981 -18.794 104 HB3 ASP 13 3HB ASP 13 -5.610 -14.283 -19.262 105 H CYS 14 H CYS 14 -1.327 -14.580 -19.731 106 HA CYS 14 HA CYS 14 -1.438 -11.850 -19.933 107 HB2 CYS 14 2HB CYS 14 0.604 -13.448 -19.857 108 HB3 CYS 14 3HB CYS 14 0.505 -13.410 -21.614 109 H HIS 15 H HIS 15 -2.629 -10.639 -21.243 110 HA HIS 15 HA HIS 15 -2.563 -11.193 -24.119 111 HB2 HIS 15 2HB HIS 15 -4.927 -11.272 -22.374 112 HB3 HIS 15 3HB HIS 15 -5.121 -10.266 -23.806 113 HD1 HIS 15 HD1 HIS 15 -3.766 -13.763 -23.108 114 HD2 HIS 15 HD2 HIS 15 -6.099 -11.705 -25.861 115 HE1 HIS 15 HE1 HIS 15 -4.499 -15.485 -24.787 116 H MET 16 H MET 16 -4.374 -8.882 -22.113 117 HA MET 16 HA MET 16 -2.692 -6.683 -22.452 118 HB2 MET 16 2HB MET 16 -4.084 -5.429 -24.164 119 HB3 MET 16 3HB MET 16 -3.062 -6.716 -24.789 120 HG2 MET 16 2HG MET 16 -5.002 -8.209 -24.861 121 HG3 MET 16 3HG MET 16 -6.019 -6.899 -24.266 122 HE1 MET 16 1HE MET 16 -5.974 -8.779 -27.202 123 HE2 MET 16 2HE MET 16 -7.350 -7.921 -26.508 124 HE3 MET 16 3HE MET 16 -6.828 -7.564 -28.155 125 H ASN 17 H ASN 17 -3.303 -5.198 -21.009 126 HA ASN 17 HA ASN 17 -5.908 -4.284 -20.576 127 HB2 ASN 17 2HB ASN 17 -5.273 -6.765 -19.219 128 HB3 ASN 17 3HB ASN 17 -5.639 -5.488 -18.063 129 HD21 ASN 17 1HD2 ASN 17 -6.943 -7.897 -19.855 130 HD22 ASN 17 2HD2 ASN 17 -8.580 -7.351 -19.934 131 H DAL 18 H DAL 18 -3.533 -5.186 -18.095 132 HA DAL 18 HA DAL 18 -2.008 -2.848 -17.980 133 HB1 DAL 18 2HB DAL 18 -1.255 -3.620 -15.899 134 HB2 DAL 18 3HB DAL 18 -2.856 -4.246 -15.440 135 H PHE 19 H PHE 19 -4.746 -3.663 -15.833 136 HA PHE 19 HA PHE 19 -5.338 -0.780 -15.678 137 HB2 PHE 19 2HB PHE 19 -7.665 -1.265 -15.537 138 HB3 PHE 19 3HB PHE 19 -7.042 -2.217 -16.880 139 HD1 PHE 19 HD1 PHE 19 -8.749 -2.283 -13.735 140 HD2 PHE 19 HD2 PHE 19 -6.553 -4.663 -16.497 141 HE1 PHE 19 HE1 PHE 19 -9.675 -4.320 -12.711 142 HE2 PHE 19 HE2 PHE 19 -7.476 -6.703 -15.478 143 HZ PHE 19 HZ PHE 19 -9.040 -6.534 -13.583 144 H GLN 20 H GLN 20 -5.104 -3.820 -13.945 145 HA GLN 20 HA GLN 20 -4.280 -2.668 -11.545 146 HB2 GLN 20 2HB GLN 20 -7.038 -2.370 -11.907 147 HB3 GLN 20 3HB GLN 20 -6.871 -3.715 -10.787 148 HG2 GLN 20 2HG GLN 20 -5.084 -1.685 -9.958 149 HG3 GLN 20 3HG GLN 20 -6.645 -0.932 -10.280 150 HE21 GLN 20 1HE2 GLN 20 -8.148 -1.050 -8.761 151 HE22 GLN 20 2HE2 GLN 20 -8.108 -2.091 -7.383 152 H PHE 21 H PHE 21 -3.601 -4.202 -10.083 153 HA PHE 21 HA PHE 21 -3.826 -6.975 -11.003 154 HB2 PHE 21 2HB PHE 21 -1.915 -5.854 -8.948 155 HB3 PHE 21 3HB PHE 21 -1.828 -7.425 -9.738 156 HD1 PHE 21 HD1 PHE 21 -0.767 -7.684 -11.821 157 HD2 PHE 21 HD2 PHE 21 -1.528 -3.785 -10.292 158 HE1 PHE 21 HE1 PHE 21 0.655 -6.720 -13.582 159 HE2 PHE 21 HE2 PHE 21 -0.108 -2.815 -12.052 160 HZ PHE 21 HZ PHE 21 0.985 -4.282 -13.700 161 H VAL 22 H VAL 22 -5.414 -8.088 -10.080 162 HA VAL 22 HA VAL 22 -6.444 -7.408 -7.477 163 HB VAL 22 HB VAL 22 -7.140 -9.814 -9.161 164 HG11 VAL 22 1HG1 VAL 22 -8.149 -10.272 -7.175 165 HG12 VAL 22 2HG1 VAL 22 -8.241 -8.574 -6.703 166 HG13 VAL 22 3HG1 VAL 22 -9.389 -9.229 -7.871 167 HG21 VAL 22 1HG2 VAL 22 -7.688 -8.151 -10.636 168 HG22 VAL 22 2HG2 VAL 22 -9.169 -8.212 -9.679 169 HG23 VAL 22 3HG2 VAL 22 -7.966 -6.962 -9.363 170 H PHE 23 H PHE 23 -4.056 -9.523 -8.716 171 HA PHE 23 HA PHE 23 -3.226 -10.349 -6.144 172 HB2 PHE 23 2HB PHE 23 -5.275 -11.806 -6.517 173 HB3 PHE 23 3HB PHE 23 -4.372 -12.590 -7.810 174 HD1 PHE 23 HD1 PHE 23 -3.903 -11.638 -4.231 175 HD2 PHE 23 HD2 PHE 23 -3.274 -14.530 -7.289 176 HE1 PHE 23 HE1 PHE 23 -2.872 -13.149 -2.585 177 HE2 PHE 23 HE2 PHE 23 -2.243 -16.046 -5.649 178 HZ PHE 23 HZ PHE 23 -2.041 -15.357 -3.293 179 H DBU 24 H DBU 24 -2.107 -9.181 -8.502 180 HB DBU 24 HB DBU 24 1.549 -10.501 -9.484 181 HG1 DBU 24 1HG DBU 24 1.857 -9.732 -7.068 182 HG2 DBU 24 2HG DBU 24 1.509 -11.465 -7.136 183 HG3 DBU 24 3HG DBU 24 0.224 -10.316 -6.724 184 H CYS 25 H CYS 25 -2.406 -11.139 -10.669 185 HA CYS 25 HA CYS 25 -1.067 -11.026 -13.198 186 HB2 CYS 25 2HB CYS 25 -4.025 -11.432 -12.756 187 HB3 CYS 25 3HB CYS 25 -3.049 -11.983 -14.114 188 H CYS 26 H CYS 26 -2.133 -9.953 -15.107 189 HA CYS 26 HA CYS 26 -2.711 -7.175 -14.397 190 HB2 CYS 26 2HB CYS 26 -1.008 -8.203 -16.251 191 HB3 CYS 26 3HB CYS 26 -2.431 -7.904 -17.244 192 H SER 27 H SER 27 -4.250 -10.001 -15.555 193 HA SER 27 HA SER 27 -6.813 -8.777 -15.539 194 HB2 SER 27 2HB SER 27 -7.398 -8.782 -17.820 195 HB3 SER 27 3HB SER 27 -5.785 -8.070 -17.796 196 HG SER 27 HG SER 27 -5.049 -9.722 -18.873 Start of MODEL 7 1 H1 LYS 1 H LYS 1 9.726 -0.466 -7.078 2 HA LYS 1 HA LYS 1 7.749 -1.603 -5.769 3 HB2 LYS 1 2HB LYS 1 10.304 -1.814 -5.374 4 HB3 LYS 1 3HB LYS 1 10.044 -0.655 -4.078 5 HG2 LYS 1 2HG LYS 1 8.445 -2.179 -3.033 6 HG3 LYS 1 3HG LYS 1 8.710 -3.343 -4.333 7 HD2 LYS 1 2HD LYS 1 11.046 -3.553 -3.700 8 HD3 LYS 1 3HD LYS 1 10.836 -2.329 -2.446 9 HE2 LYS 1 2HE LYS 1 9.368 -3.748 -1.209 10 HE3 LYS 1 3HE LYS 1 9.292 -4.914 -2.529 11 HZ1 LYS 1 1HZ LYS 1 11.182 -5.870 -1.878 12 HZ2 LYS 1 2HZ LYS 1 10.971 -5.052 -0.413 13 HZ3 LYS 1 3HZ LYS 1 11.966 -4.395 -1.613 14 H LYS 2 H LYS 2 6.203 0.321 -5.937 15 HA LYS 2 HA LYS 2 5.399 1.069 -3.361 16 HB2 LYS 2 2HB LYS 2 7.478 2.670 -4.231 17 HB3 LYS 2 3HB LYS 2 6.052 3.618 -4.631 18 HG2 LYS 2 2HG LYS 2 5.326 3.630 -2.366 19 HG3 LYS 2 3HG LYS 2 6.552 2.447 -1.906 20 HD2 LYS 2 2HD LYS 2 8.313 4.049 -2.379 21 HD3 LYS 2 3HD LYS 2 7.123 5.225 -2.940 22 HE2 LYS 2 2HE LYS 2 6.283 4.442 -0.384 23 HE3 LYS 2 3HE LYS 2 8.027 4.669 -0.266 24 HZ1 LYS 2 1HZ LYS 2 6.323 6.654 0.005 25 HZ2 LYS 2 2HZ LYS 2 6.512 6.726 -1.674 26 HZ3 LYS 2 3HZ LYS 2 7.861 6.877 -0.665 27 H LYS 3 H LYS 3 5.417 2.081 -6.757 28 HA LYS 3 HA LYS 3 2.993 3.396 -6.887 29 HB2 LYS 3 2HB LYS 3 4.844 2.229 -8.745 30 HB3 LYS 3 3HB LYS 3 3.201 1.858 -9.253 31 HG2 LYS 3 2HG LYS 3 3.050 4.521 -8.604 32 HG3 LYS 3 3HG LYS 3 4.658 4.375 -9.318 33 HD2 LYS 3 2HD LYS 3 3.673 3.284 -11.285 34 HD3 LYS 3 3HD LYS 3 2.068 3.461 -10.571 35 HE2 LYS 3 2HE LYS 3 2.554 5.956 -10.485 36 HE3 LYS 3 3HE LYS 3 3.933 5.616 -11.531 37 HZ1 LYS 3 1HZ LYS 3 2.595 5.101 -13.286 38 HZ2 LYS 3 2HZ LYS 3 1.618 6.253 -12.525 39 HZ3 LYS 3 3HZ LYS 3 1.297 4.605 -12.320 40 H SER 4 H SER 4 3.639 -0.032 -6.705 41 HA SER 4 HA SER 4 0.864 -0.552 -6.106 42 HB2 SER 4 2HB SER 4 1.412 -2.549 -8.005 43 HB3 SER 4 3HB SER 4 0.256 -1.226 -8.156 44 HG SER 4 HG SER 4 1.510 -0.398 -9.608 45 H GLY 5 H GLY 5 3.633 -2.492 -7.254 46 HA2 GLY 5 2HA GLY 5 4.976 -3.520 -5.365 47 HA3 GLY 5 3HA GLY 5 3.416 -4.057 -4.760 48 H VAL 6 H VAL 6 2.607 -4.448 -7.684 49 HA VAL 6 HA VAL 6 3.921 -7.067 -8.002 50 HB VAL 6 HB VAL 6 1.406 -6.705 -9.450 51 HG11 VAL 6 1HG1 VAL 6 2.810 -8.817 -8.967 52 HG12 VAL 6 2HG1 VAL 6 2.018 -8.793 -7.391 53 HG13 VAL 6 3HG1 VAL 6 1.053 -8.925 -8.862 54 HG21 VAL 6 1HG2 VAL 6 1.464 -6.467 -6.453 55 HG22 VAL 6 2HG2 VAL 6 0.669 -5.409 -7.619 56 HG23 VAL 6 3HG2 VAL 6 0.046 -7.034 -7.334 57 H ILE 7 H ILE 7 3.047 -7.696 -10.533 58 HA ILE 7 HA ILE 7 3.976 -5.539 -12.281 59 HB ILE 7 HB ILE 7 5.139 -8.327 -12.300 60 HG12 ILE 7 2HG1 ILE 7 6.470 -5.659 -11.785 61 HG13 ILE 7 3HG1 ILE 7 6.017 -6.809 -10.532 62 HG21 ILE 7 1HG2 ILE 7 6.542 -6.550 -14.002 63 HG22 ILE 7 2HG2 ILE 7 5.645 -8.004 -14.435 64 HG23 ILE 7 3HG2 ILE 7 4.829 -6.441 -14.404 65 HD11 ILE 7 1HD1 ILE 7 7.554 -8.227 -12.408 66 HD12 ILE 7 2HD1 ILE 7 8.387 -6.703 -12.104 67 HD13 ILE 7 3HD1 ILE 7 7.987 -7.773 -10.761 68 HA PRO 8 HA PRO 8 0.463 -7.045 -14.548 69 HB2 PRO 8 2HB PRO 8 0.736 -5.368 -16.665 70 HB3 PRO 8 3HB PRO 8 0.085 -4.849 -15.106 71 HG2 PRO 8 2HG PRO 8 2.847 -4.517 -16.210 72 HG3 PRO 8 3HG PRO 8 1.846 -3.347 -15.330 73 HD2 PRO 8 2HD PRO 8 3.834 -4.750 -14.141 74 HD3 PRO 8 3HD PRO 8 2.362 -4.261 -13.278 75 H DBB 9 H DBB 9 0.561 -8.943 -15.566 76 HA DBB 9 HA DBB 9 2.459 -9.258 -17.839 77 HB2 DBB 9 3HB DBB 9 0.857 -10.685 -18.883 78 HG1 DBB 9 1HG DBB 9 0.262 -12.044 -16.932 79 HG2 DBB 9 2HG DBB 9 -0.594 -10.666 -16.200 80 HG3 DBB 9 3HG DBB 9 -1.223 -11.415 -17.687 81 H VAL 10 H VAL 10 1.321 -10.479 -14.803 82 HA VAL 10 HA VAL 10 3.335 -12.620 -14.956 83 HB VAL 10 HB VAL 10 3.422 -12.563 -12.524 84 HG11 VAL 10 1HG1 VAL 10 3.952 -9.899 -12.452 85 HG12 VAL 10 2HG1 VAL 10 5.049 -11.122 -13.095 86 HG13 VAL 10 3HG1 VAL 10 4.001 -10.215 -14.186 87 HG21 VAL 10 1HG2 VAL 10 1.245 -10.510 -12.819 88 HG22 VAL 10 2HG2 VAL 10 1.220 -12.006 -11.885 89 HG23 VAL 10 3HG2 VAL 10 2.221 -10.654 -11.357 90 H DAL 11 H DAL 11 -0.006 -12.007 -14.748 91 HA DAL 11 HA DAL 11 -1.869 -13.366 -14.519 92 HB1 DAL 11 2HB DAL 11 -1.257 -15.445 -12.868 93 HB2 DAL 11 3HB DAL 11 0.049 -14.316 -12.436 94 H HIS 12 H HIS 12 -2.252 -14.360 -16.394 95 HA HIS 12 HA HIS 12 -0.597 -16.684 -17.117 96 HB2 HIS 12 2HB HIS 12 -3.168 -16.903 -16.201 97 HB3 HIS 12 3HB HIS 12 -3.415 -16.834 -17.944 98 HD1 HIS 12 HD1 HIS 12 -1.904 -18.961 -15.260 99 HD2 HIS 12 HD2 HIS 12 -2.540 -19.072 -19.364 100 HE1 HIS 12 HE1 HIS 12 -1.405 -21.326 -15.954 101 H ASP 13 H ASP 13 -2.749 -14.110 -18.195 102 HA ASP 13 HA ASP 13 -1.227 -13.601 -20.522 103 HB2 ASP 13 2HB ASP 13 -3.423 -15.525 -20.762 104 HB3 ASP 13 3HB ASP 13 -3.546 -14.178 -21.891 105 H CYS 14 H CYS 14 -1.338 -11.484 -19.847 106 HA CYS 14 HA CYS 14 -4.000 -10.243 -19.739 107 HB2 CYS 14 2HB CYS 14 -2.963 -8.420 -18.526 108 HB3 CYS 14 3HB CYS 14 -2.526 -9.945 -17.762 109 H HIS 15 H HIS 15 -3.581 -7.692 -20.322 110 HA HIS 15 HA HIS 15 -2.151 -7.552 -22.873 111 HB2 HIS 15 2HB HIS 15 -4.171 -6.313 -23.821 112 HB3 HIS 15 3HB HIS 15 -4.326 -8.059 -23.651 113 HD1 HIS 15 HD1 HIS 15 -5.709 -8.855 -21.466 114 HD2 HIS 15 HD2 HIS 15 -6.120 -4.873 -22.579 115 HE1 HIS 15 HE1 HIS 15 -7.780 -8.040 -20.295 116 H MET 16 H MET 16 -1.595 -6.464 -20.252 117 HA MET 16 HA MET 16 -0.812 -4.534 -19.338 118 HB2 MET 16 2HB MET 16 0.005 -4.262 -21.761 119 HB3 MET 16 3HB MET 16 -1.343 -3.151 -21.958 120 HG2 MET 16 2HG MET 16 0.025 -1.560 -21.251 121 HG3 MET 16 3HG MET 16 -0.124 -2.276 -19.648 122 HE1 MET 16 1HE MET 16 2.561 -0.563 -21.068 123 HE2 MET 16 2HE MET 16 2.097 -0.833 -19.388 124 HE3 MET 16 3HE MET 16 3.681 -1.358 -19.961 125 H ASN 17 H ASN 17 -2.901 -4.716 -18.150 126 HA ASN 17 HA ASN 17 -4.439 -2.250 -18.525 127 HB2 ASN 17 2HB ASN 17 -5.439 -4.895 -18.989 128 HB3 ASN 17 3HB ASN 17 -6.253 -4.217 -17.582 129 HD21 ASN 17 1HD2 ASN 17 -7.103 -1.981 -17.871 130 HD22 ASN 17 2HD2 ASN 17 -7.817 -1.595 -19.396 131 H DAL 18 H DAL 18 -4.667 -5.070 -16.361 132 HA DAL 18 HA DAL 18 -3.705 -3.506 -14.074 133 HB1 DAL 18 2HB DAL 18 -4.184 -5.724 -12.865 134 HB2 DAL 18 3HB DAL 18 -4.581 -6.394 -14.465 135 H PHE 19 H PHE 19 -6.493 -5.697 -14.418 136 HA PHE 19 HA PHE 19 -8.319 -3.611 -13.576 137 HB2 PHE 19 2HB PHE 19 -8.684 -6.486 -14.405 138 HB3 PHE 19 3HB PHE 19 -10.011 -5.526 -13.759 139 HD1 PHE 19 HD1 PHE 19 -10.734 -3.469 -14.979 140 HD2 PHE 19 HD2 PHE 19 -7.987 -6.264 -16.639 141 HE1 PHE 19 HE1 PHE 19 -11.165 -2.554 -17.222 142 HE2 PHE 19 HE2 PHE 19 -8.412 -5.354 -18.885 143 HZ PHE 19 HZ PHE 19 -10.002 -3.496 -19.179 144 H GLN 20 H GLN 20 -6.898 -6.556 -12.279 145 HA GLN 20 HA GLN 20 -7.085 -5.750 -9.613 146 HB2 GLN 20 2HB GLN 20 -9.532 -6.790 -10.640 147 HB3 GLN 20 3HB GLN 20 -8.881 -7.957 -9.497 148 HG2 GLN 20 2HG GLN 20 -8.603 -5.985 -7.906 149 HG3 GLN 20 3HG GLN 20 -9.645 -5.100 -9.019 150 HE21 GLN 20 1HE2 GLN 20 -10.179 -5.749 -6.282 151 HE22 GLN 20 2HE2 GLN 20 -11.598 -6.735 -6.261 152 H PHE 21 H PHE 21 -6.225 -7.298 -8.145 153 HA PHE 21 HA PHE 21 -4.929 -9.578 -9.487 154 HB2 PHE 21 2HB PHE 21 -3.958 -7.763 -7.287 155 HB3 PHE 21 3HB PHE 21 -3.226 -9.338 -7.580 156 HD1 PHE 21 HD1 PHE 21 -4.313 -6.417 -9.641 157 HD2 PHE 21 HD2 PHE 21 -1.283 -9.280 -8.781 158 HE1 PHE 21 HE1 PHE 21 -2.885 -5.423 -11.380 159 HE2 PHE 21 HE2 PHE 21 0.150 -8.290 -10.518 160 HZ PHE 21 HZ PHE 21 -0.650 -6.358 -11.820 161 H VAL 22 H VAL 22 -6.424 -11.154 -9.030 162 HA VAL 22 HA VAL 22 -7.498 -11.505 -6.384 163 HB VAL 22 HB VAL 22 -8.560 -13.518 -7.277 164 HG11 VAL 22 1HG1 VAL 22 -9.468 -11.197 -7.700 165 HG12 VAL 22 2HG1 VAL 22 -8.800 -11.330 -9.328 166 HG13 VAL 22 3HG1 VAL 22 -10.041 -12.461 -8.787 167 HG21 VAL 22 1HG2 VAL 22 -8.255 -14.087 -9.679 168 HG22 VAL 22 2HG2 VAL 22 -6.913 -12.944 -9.738 169 HG23 VAL 22 3HG2 VAL 22 -6.816 -14.365 -8.698 170 H PHE 23 H PHE 23 -4.602 -12.330 -7.882 171 HA PHE 23 HA PHE 23 -3.606 -13.710 -5.641 172 HB2 PHE 23 2HB PHE 23 -5.111 -15.480 -6.683 173 HB3 PHE 23 3HB PHE 23 -3.982 -15.511 -8.033 174 HD1 PHE 23 HD1 PHE 23 -2.816 -17.490 -7.954 175 HD2 PHE 23 HD2 PHE 23 -3.447 -15.316 -4.349 176 HE1 PHE 23 HE1 PHE 23 -1.408 -19.101 -6.740 177 HE2 PHE 23 HE2 PHE 23 -2.040 -16.924 -3.130 178 HZ PHE 23 HZ PHE 23 -1.017 -18.819 -4.324 179 H DBU 24 H DBU 24 -2.912 -11.580 -7.480 180 HB DBU 24 HB DBU 24 0.968 -11.260 -8.339 181 HG1 DBU 24 1HG DBU 24 -0.287 -11.422 -5.613 182 HG2 DBU 24 2HG DBU 24 1.420 -11.338 -6.068 183 HG3 DBU 24 3HG DBU 24 0.566 -12.892 -6.100 184 H CYS 25 H CYS 25 -2.794 -12.639 -9.945 185 HA CYS 25 HA CYS 25 -1.388 -12.010 -12.349 186 HB2 CYS 25 2HB CYS 25 -4.310 -12.715 -12.001 187 HB3 CYS 25 3HB CYS 25 -3.385 -12.796 -13.496 188 H CYS 26 H CYS 26 -2.320 -10.640 -14.079 189 HA CYS 26 HA CYS 26 -3.622 -8.240 -12.970 190 HB2 CYS 26 2HB CYS 26 -1.122 -8.080 -13.615 191 HB3 CYS 26 3HB CYS 26 -1.696 -8.141 -15.279 192 H SER 27 H SER 27 -5.604 -9.346 -13.661 193 HA SER 27 HA SER 27 -6.236 -8.642 -16.422 194 HB2 SER 27 2HB SER 27 -6.243 -11.398 -15.306 195 HB3 SER 27 3HB SER 27 -7.602 -10.951 -16.338 196 HG SER 27 HG SER 27 -5.764 -10.130 -17.765 Start of MODEL 8 1 H1 LYS 1 H LYS 1 6.267 1.628 2.871 2 HA LYS 1 HA LYS 1 4.947 3.169 0.757 3 HB2 LYS 1 2HB LYS 1 7.841 2.655 1.422 4 HB3 LYS 1 3HB LYS 1 7.347 3.373 -0.106 5 HG2 LYS 1 2HG LYS 1 6.141 4.696 2.179 6 HG3 LYS 1 3HG LYS 1 7.905 4.720 2.230 7 HD2 LYS 1 2HD LYS 1 6.704 5.336 -0.388 8 HD3 LYS 1 3HD LYS 1 6.399 6.521 0.884 9 HE2 LYS 1 2HE LYS 1 8.394 7.157 -0.281 10 HE3 LYS 1 3HE LYS 1 8.845 6.587 1.325 11 HZ1 LYS 1 1HZ LYS 1 9.592 4.542 0.433 12 HZ2 LYS 1 2HZ LYS 1 10.263 5.756 -0.536 13 HZ3 LYS 1 3HZ LYS 1 8.933 4.869 -1.090 14 H LYS 2 H LYS 2 3.807 1.624 -0.366 15 HA LYS 2 HA LYS 2 5.443 -0.391 -1.758 16 HB2 LYS 2 2HB LYS 2 3.628 -1.967 -1.663 17 HB3 LYS 2 3HB LYS 2 3.962 -1.407 -0.029 18 HG2 LYS 2 2HG LYS 2 2.068 0.320 -0.561 19 HG3 LYS 2 3HG LYS 2 1.608 -0.879 -1.773 20 HD2 LYS 2 2HD LYS 2 2.013 -1.484 1.154 21 HD3 LYS 2 3HD LYS 2 0.446 -1.152 0.413 22 HE2 LYS 2 2HE LYS 2 0.907 -3.062 -1.157 23 HE3 LYS 2 3HE LYS 2 2.309 -3.449 -0.161 24 HZ1 LYS 2 1HZ LYS 2 0.294 -4.738 0.402 25 HZ2 LYS 2 2HZ LYS 2 -0.471 -3.304 0.867 26 HZ3 LYS 2 3HZ LYS 2 0.896 -3.843 1.705 27 H LYS 3 H LYS 3 4.372 -1.169 -3.805 28 HA LYS 3 HA LYS 3 2.353 0.256 -5.106 29 HB2 LYS 3 2HB LYS 3 4.950 1.564 -5.105 30 HB3 LYS 3 3HB LYS 3 4.388 1.227 -6.737 31 HG2 LYS 3 2HG LYS 3 2.317 2.355 -5.033 32 HG3 LYS 3 3HG LYS 3 3.720 3.410 -5.218 33 HD2 LYS 3 2HD LYS 3 3.540 3.187 -7.662 34 HD3 LYS 3 3HD LYS 3 2.108 2.176 -7.452 35 HE2 LYS 3 2HE LYS 3 1.496 4.389 -5.957 36 HE3 LYS 3 3HE LYS 3 2.404 5.082 -7.301 37 HZ1 LYS 3 1HZ LYS 3 0.763 4.643 -8.733 38 HZ2 LYS 3 2HZ LYS 3 -0.219 4.500 -7.363 39 HZ3 LYS 3 3HZ LYS 3 0.440 3.116 -8.079 40 H SER 4 H SER 4 5.408 -1.462 -5.438 41 HA SER 4 HA SER 4 4.376 -2.776 -7.860 42 HB2 SER 4 2HB SER 4 7.219 -3.036 -6.941 43 HB3 SER 4 3HB SER 4 6.564 -3.113 -8.577 44 HG SER 4 HG SER 4 7.746 -1.124 -7.881 45 H GLY 5 H GLY 5 5.836 -5.064 -7.908 46 HA2 GLY 5 2HA GLY 5 6.377 -6.751 -6.004 47 HA3 GLY 5 3HA GLY 5 4.668 -6.540 -5.653 48 H VAL 6 H VAL 6 4.225 -6.226 -8.649 49 HA VAL 6 HA VAL 6 4.517 -9.059 -9.400 50 HB VAL 6 HB VAL 6 2.125 -7.725 -10.460 51 HG11 VAL 6 1HG1 VAL 6 1.885 -9.897 -10.928 52 HG12 VAL 6 2HG1 VAL 6 3.059 -10.381 -9.702 53 HG13 VAL 6 3HG1 VAL 6 1.383 -10.073 -9.247 54 HG21 VAL 6 1HG2 VAL 6 2.472 -8.176 -7.512 55 HG22 VAL 6 2HG2 VAL 6 1.866 -6.745 -8.345 56 HG23 VAL 6 3HG2 VAL 6 0.884 -8.208 -8.278 57 H ILE 7 H ILE 7 3.464 -9.039 -11.886 58 HA ILE 7 HA ILE 7 4.742 -6.869 -13.374 59 HB ILE 7 HB ILE 7 5.315 -9.786 -13.907 60 HG12 ILE 7 2HG1 ILE 7 6.528 -8.831 -11.957 61 HG13 ILE 7 3HG1 ILE 7 7.601 -9.282 -13.277 62 HG21 ILE 7 1HG2 ILE 7 6.313 -7.320 -15.326 63 HG22 ILE 7 2HG2 ILE 7 6.779 -8.983 -15.678 64 HG23 ILE 7 3HG2 ILE 7 5.120 -8.456 -15.954 65 HD11 ILE 7 1HD1 ILE 7 7.550 -6.869 -11.947 66 HD12 ILE 7 2HD1 ILE 7 8.365 -7.210 -13.474 67 HD13 ILE 7 3HD1 ILE 7 6.739 -6.528 -13.476 68 HA PRO 8 HA PRO 8 0.971 -7.268 -15.659 69 HB2 PRO 8 2HB PRO 8 1.620 -5.568 -17.675 70 HB3 PRO 8 3HB PRO 8 1.167 -5.014 -16.059 71 HG2 PRO 8 2HG PRO 8 3.892 -5.330 -17.258 72 HG3 PRO 8 3HG PRO 8 3.254 -4.008 -16.262 73 HD2 PRO 8 2HD PRO 8 4.834 -5.961 -15.252 74 HD3 PRO 8 3HD PRO 8 3.564 -5.172 -14.296 75 H DBB 9 H DBB 9 0.934 -9.337 -16.473 76 HA DBB 9 HA DBB 9 2.404 -9.809 -19.022 77 HB2 DBB 9 3HB DBB 9 -0.305 -10.982 -18.284 78 HG1 DBB 9 1HG DBB 9 0.366 -8.461 -19.865 79 HG2 DBB 9 2HG DBB 9 -1.230 -9.250 -19.865 80 HG3 DBB 9 3HG DBB 9 -0.579 -8.559 -18.359 81 H VAL 10 H VAL 10 1.020 -11.181 -16.073 82 HA VAL 10 HA VAL 10 2.787 -13.516 -16.419 83 HB VAL 10 HB VAL 10 2.999 -13.597 -13.953 84 HG11 VAL 10 1HG1 VAL 10 4.723 -12.035 -13.827 85 HG12 VAL 10 2HG1 VAL 10 4.585 -12.357 -15.556 86 HG13 VAL 10 3HG1 VAL 10 3.888 -10.887 -14.873 87 HG21 VAL 10 1HG2 VAL 10 2.416 -11.040 -13.114 88 HG22 VAL 10 2HG2 VAL 10 1.048 -11.445 -14.150 89 HG23 VAL 10 3HG2 VAL 10 1.455 -12.482 -12.783 90 H DAL 11 H DAL 11 -0.362 -12.485 -16.207 91 HA DAL 11 HA DAL 11 -2.400 -13.553 -15.923 92 HB1 DAL 11 2HB DAL 11 -2.219 -15.463 -14.049 93 HB2 DAL 11 3HB DAL 11 -0.675 -14.645 -13.714 94 H HIS 12 H HIS 12 -3.466 -15.678 -16.213 95 HA HIS 12 HA HIS 12 -1.762 -17.702 -17.470 96 HB2 HIS 12 2HB HIS 12 -4.293 -17.746 -16.001 97 HB3 HIS 12 3HB HIS 12 -4.323 -18.725 -17.464 98 HD1 HIS 12 HD1 HIS 12 -3.882 -19.274 -14.108 99 HD2 HIS 12 HD2 HIS 12 -1.534 -20.230 -17.399 100 HE1 HIS 12 HE1 HIS 12 -2.415 -21.174 -13.358 101 H ASP 13 H ASP 13 -3.469 -15.044 -18.371 102 HA ASP 13 HA ASP 13 -4.013 -16.161 -21.043 103 HB2 ASP 13 2HB ASP 13 -5.727 -14.583 -19.260 104 HB3 ASP 13 3HB ASP 13 -5.627 -13.941 -20.897 105 H CYS 14 H CYS 14 -3.302 -13.161 -19.267 106 HA CYS 14 HA CYS 14 -2.040 -11.344 -19.791 107 HB2 CYS 14 2HB CYS 14 -0.491 -13.440 -20.434 108 HB3 CYS 14 3HB CYS 14 -0.651 -12.715 -22.030 109 H HIS 15 H HIS 15 -3.398 -9.867 -20.633 110 HA HIS 15 HA HIS 15 -3.657 -9.808 -23.560 111 HB2 HIS 15 2HB HIS 15 -5.800 -9.965 -21.564 112 HB3 HIS 15 3HB HIS 15 -6.001 -8.645 -22.713 113 HD1 HIS 15 HD1 HIS 15 -5.815 -12.394 -22.540 114 HD2 HIS 15 HD2 HIS 15 -6.701 -9.404 -25.285 115 HE1 HIS 15 HE1 HIS 15 -6.802 -13.577 -24.527 116 H MET 16 H MET 16 -4.931 -7.715 -20.989 117 HA MET 16 HA MET 16 -2.988 -5.727 -21.071 118 HB2 MET 16 2HB MET 16 -4.752 -5.715 -23.364 119 HB3 MET 16 3HB MET 16 -4.917 -4.227 -22.442 120 HG2 MET 16 2HG MET 16 -2.145 -4.938 -22.765 121 HG3 MET 16 3HG MET 16 -2.965 -4.844 -24.322 122 HE1 MET 16 1HE MET 16 -1.797 -2.651 -25.345 123 HE2 MET 16 2HE MET 16 -3.540 -2.862 -25.519 124 HE3 MET 16 3HE MET 16 -2.879 -1.276 -25.119 125 H ASN 17 H ASN 17 -3.348 -5.238 -18.990 126 HA ASN 17 HA ASN 17 -5.509 -3.597 -18.245 127 HB2 ASN 17 2HB ASN 17 -6.407 -6.115 -18.336 128 HB3 ASN 17 3HB ASN 17 -5.717 -6.141 -16.716 129 HD21 ASN 17 1HD2 ASN 17 -7.637 -6.275 -15.642 130 HD22 ASN 17 2HD2 ASN 17 -8.795 -4.993 -15.601 131 H DAL 18 H DAL 18 -2.841 -3.257 -18.001 132 HA DAL 18 HA DAL 18 -1.100 -2.805 -16.528 133 HB1 DAL 18 2HB DAL 18 -0.572 -4.560 -15.201 134 HB2 DAL 18 3HB DAL 18 -2.033 -4.317 -14.214 135 H PHE 19 H PHE 19 -3.834 -3.459 -14.337 136 HA PHE 19 HA PHE 19 -3.712 -0.633 -13.510 137 HB2 PHE 19 2HB PHE 19 -6.079 -2.463 -13.856 138 HB3 PHE 19 3HB PHE 19 -6.169 -1.017 -12.857 139 HD1 PHE 19 HD1 PHE 19 -7.121 0.798 -13.865 140 HD2 PHE 19 HD2 PHE 19 -4.870 -1.923 -16.241 141 HE1 PHE 19 HE1 PHE 19 -7.604 2.150 -15.863 142 HE2 PHE 19 HE2 PHE 19 -5.348 -0.576 -18.243 143 HZ PHE 19 HZ PHE 19 -6.716 1.464 -18.056 144 H GLN 20 H GLN 20 -4.317 -3.957 -12.471 145 HA GLN 20 HA GLN 20 -2.985 -3.621 -10.011 146 HB2 GLN 20 2HB GLN 20 -5.199 -2.354 -9.659 147 HB3 GLN 20 3HB GLN 20 -5.953 -3.943 -9.644 148 HG2 GLN 20 2HG GLN 20 -4.079 -4.425 -7.850 149 HG3 GLN 20 3HG GLN 20 -4.153 -2.675 -7.658 150 HE21 GLN 20 1HE2 GLN 20 -6.234 -1.735 -7.157 151 HE22 GLN 20 2HE2 GLN 20 -7.380 -2.649 -6.244 152 H PHE 21 H PHE 21 -2.684 -5.567 -8.928 153 HA PHE 21 HA PHE 21 -3.597 -7.927 -10.415 154 HB2 PHE 21 2HB PHE 21 -1.379 -7.803 -8.369 155 HB3 PHE 21 3HB PHE 21 -1.701 -9.092 -9.523 156 HD1 PHE 21 HD1 PHE 21 -0.812 -9.029 -11.697 157 HD2 PHE 21 HD2 PHE 21 -0.578 -5.586 -9.206 158 HE1 PHE 21 HE1 PHE 21 0.723 -7.974 -13.305 159 HE2 PHE 21 HE2 PHE 21 0.957 -4.526 -10.810 160 HZ PHE 21 HZ PHE 21 1.609 -5.719 -12.863 161 H VAL 22 H VAL 22 -5.196 -9.080 -9.583 162 HA VAL 22 HA VAL 22 -6.019 -8.702 -6.836 163 HB VAL 22 HB VAL 22 -7.175 -10.539 -8.938 164 HG11 VAL 22 1HG1 VAL 22 -7.939 -11.330 -6.877 165 HG12 VAL 22 2HG1 VAL 22 -8.084 -9.706 -6.203 166 HG13 VAL 22 3HG1 VAL 22 -9.228 -10.259 -7.426 167 HG21 VAL 22 1HG2 VAL 22 -8.060 -7.777 -8.107 168 HG22 VAL 22 2HG2 VAL 22 -7.231 -8.174 -9.612 169 HG23 VAL 22 3HG2 VAL 22 -8.845 -8.811 -9.301 170 H PHE 23 H PHE 23 -4.321 -11.077 -8.729 171 HA PHE 23 HA PHE 23 -3.547 -12.487 -6.337 172 HB2 PHE 23 2HB PHE 23 -5.773 -13.495 -7.058 173 HB3 PHE 23 3HB PHE 23 -4.933 -14.085 -8.489 174 HD1 PHE 23 HD1 PHE 23 -4.157 -16.237 -8.424 175 HD2 PHE 23 HD2 PHE 23 -4.476 -14.054 -4.784 176 HE1 PHE 23 HE1 PHE 23 -3.420 -18.223 -7.172 177 HE2 PHE 23 HE2 PHE 23 -3.739 -16.036 -3.526 178 HZ PHE 23 HZ PHE 23 -3.209 -18.124 -4.720 179 H DBU 24 H DBU 24 -2.308 -10.968 -8.516 180 HB DBU 24 HB DBU 24 1.209 -12.464 -9.737 181 HG1 DBU 24 1HG DBU 24 1.042 -13.810 -7.519 182 HG2 DBU 24 2HG DBU 24 -0.092 -12.571 -6.964 183 HG3 DBU 24 3HG DBU 24 1.595 -12.145 -7.299 184 H CYS 25 H CYS 25 -2.770 -12.501 -10.979 185 HA CYS 25 HA CYS 25 -1.409 -12.069 -13.460 186 HB2 CYS 25 2HB CYS 25 -4.396 -12.249 -13.099 187 HB3 CYS 25 3HB CYS 25 -3.443 -12.690 -14.512 188 H CYS 26 H CYS 26 -2.268 -10.565 -15.132 189 HA CYS 26 HA CYS 26 -2.642 -7.923 -13.938 190 HB2 CYS 26 2HB CYS 26 -0.852 -8.501 -15.712 191 HB3 CYS 26 3HB CYS 26 -2.184 -8.463 -16.862 192 H SER 27 H SER 27 -3.971 -9.785 -16.676 193 HA SER 27 HA SER 27 -6.234 -8.053 -16.942 194 HB2 SER 27 2HB SER 27 -5.074 -9.592 -18.724 195 HB3 SER 27 3HB SER 27 -6.170 -10.821 -18.094 196 HG SER 27 HG SER 27 -6.904 -8.291 -19.157 Start of MODEL 9 1 H1 LYS 1 H LYS 1 -1.594 -1.137 0.366 2 HA LYS 1 HA LYS 1 -2.117 -1.997 -2.256 3 HB2 LYS 1 2HB LYS 1 -3.219 0.755 -1.675 4 HB3 LYS 1 3HB LYS 1 -3.254 -0.101 -3.211 5 HG2 LYS 1 2HG LYS 1 -4.784 -1.740 -2.300 6 HG3 LYS 1 3HG LYS 1 -4.700 -0.969 -0.715 7 HD2 LYS 1 2HD LYS 1 -5.732 1.029 -1.578 8 HD3 LYS 1 3HD LYS 1 -5.682 0.390 -3.223 9 HE2 LYS 1 2HE LYS 1 -7.882 0.016 -2.552 10 HE3 LYS 1 3HE LYS 1 -7.099 -1.542 -2.296 11 HZ1 LYS 1 1HZ LYS 1 -8.552 -0.782 -0.442 12 HZ2 LYS 1 2HZ LYS 1 -7.459 0.476 -0.153 13 HZ3 LYS 1 3HZ LYS 1 -6.963 -1.132 0.022 14 H LYS 2 H LYS 2 -0.464 -1.428 -3.563 15 HA LYS 2 HA LYS 2 1.052 0.981 -3.163 16 HB2 LYS 2 2HB LYS 2 1.839 -1.252 -1.681 17 HB3 LYS 2 3HB LYS 2 2.940 -1.221 -3.052 18 HG2 LYS 2 2HG LYS 2 3.652 0.998 -2.512 19 HG3 LYS 2 3HG LYS 2 2.419 1.139 -1.257 20 HD2 LYS 2 2HD LYS 2 3.673 0.047 0.245 21 HD3 LYS 2 3HD LYS 2 4.149 -1.189 -0.923 22 HE2 LYS 2 2HE LYS 2 5.341 1.450 -1.385 23 HE3 LYS 2 3HE LYS 2 5.814 0.694 0.135 24 HZ1 LYS 2 1HZ LYS 2 7.368 -0.152 -1.291 25 HZ2 LYS 2 2HZ LYS 2 6.317 -0.195 -2.616 26 HZ3 LYS 2 3HZ LYS 2 6.188 -1.361 -1.396 27 H LYS 3 H LYS 3 2.100 1.585 -4.990 28 HA LYS 3 HA LYS 3 1.453 0.492 -7.441 29 HB2 LYS 3 2HB LYS 3 3.635 2.321 -6.520 30 HB3 LYS 3 3HB LYS 3 3.653 1.731 -8.177 31 HG2 LYS 3 2HG LYS 3 1.126 2.562 -8.075 32 HG3 LYS 3 3HG LYS 3 1.817 3.637 -6.858 33 HD2 LYS 3 2HD LYS 3 3.511 4.364 -8.481 34 HD3 LYS 3 3HD LYS 3 2.791 3.305 -9.696 35 HE2 LYS 3 2HE LYS 3 2.078 5.653 -9.938 36 HE3 LYS 3 3HE LYS 3 0.728 4.563 -9.624 37 HZ1 LYS 3 1HZ LYS 3 0.998 6.807 -8.325 38 HZ2 LYS 3 2HZ LYS 3 2.006 5.873 -7.339 39 HZ3 LYS 3 3HZ LYS 3 0.389 5.426 -7.560 40 H SER 4 H SER 4 1.864 -1.509 -8.110 41 HA SER 4 HA SER 4 4.564 -2.603 -7.659 42 HB2 SER 4 2HB SER 4 3.294 -4.864 -7.986 43 HB3 SER 4 3HB SER 4 3.201 -4.039 -6.429 44 HG SER 4 HG SER 4 1.150 -3.605 -6.766 45 H GLY 5 H GLY 5 5.166 -4.305 -9.314 46 HA2 GLY 5 2HA GLY 5 3.942 -4.378 -11.854 47 HA3 GLY 5 3HA GLY 5 5.218 -3.170 -11.869 48 H VAL 6 H VAL 6 4.569 -6.580 -11.156 49 HA VAL 6 HA VAL 6 7.367 -7.273 -11.253 50 HB VAL 6 HB VAL 6 4.915 -9.037 -11.165 51 HG11 VAL 6 1HG1 VAL 6 6.940 -10.542 -10.179 52 HG12 VAL 6 2HG1 VAL 6 6.378 -10.604 -11.851 53 HG13 VAL 6 3HG1 VAL 6 7.783 -9.625 -11.426 54 HG21 VAL 6 1HG2 VAL 6 5.430 -7.482 -9.202 55 HG22 VAL 6 2HG2 VAL 6 5.220 -9.196 -8.846 56 HG23 VAL 6 3HG2 VAL 6 6.840 -8.503 -8.923 57 H ILE 7 H ILE 7 4.734 -8.849 -13.031 58 HA ILE 7 HA ILE 7 6.128 -8.365 -15.554 59 HB ILE 7 HB ILE 7 5.396 -11.120 -14.557 60 HG12 ILE 7 2HG1 ILE 7 7.536 -10.179 -13.704 61 HG13 ILE 7 3HG1 ILE 7 7.766 -11.596 -14.723 62 HG21 ILE 7 1HG2 ILE 7 4.821 -10.958 -16.885 63 HG22 ILE 7 2HG2 ILE 7 6.375 -10.217 -17.259 64 HG23 ILE 7 3HG2 ILE 7 6.305 -11.897 -16.731 65 HD11 ILE 7 1HD1 ILE 7 9.403 -9.805 -15.143 66 HD12 ILE 7 2HD1 ILE 7 8.444 -10.211 -16.567 67 HD13 ILE 7 3HD1 ILE 7 8.082 -8.751 -15.647 68 HA PRO 8 HA PRO 8 1.775 -7.654 -16.423 69 HB2 PRO 8 2HB PRO 8 2.216 -6.455 -18.819 70 HB3 PRO 8 3HB PRO 8 2.408 -5.616 -17.275 71 HG2 PRO 8 2HG PRO 8 4.494 -6.851 -19.032 72 HG3 PRO 8 3HG PRO 8 4.528 -5.299 -18.176 73 HD2 PRO 8 2HD PRO 8 5.788 -7.506 -17.242 74 HD3 PRO 8 3HD PRO 8 5.093 -6.277 -16.167 75 H DBB 9 H DBB 9 1.133 -9.799 -16.735 76 HA DBB 9 HA DBB 9 1.606 -10.950 -19.439 77 HB2 DBB 9 3HB DBB 9 -0.999 -11.595 -18.209 78 HG1 DBB 9 1HG DBB 9 -0.306 -8.728 -18.978 79 HG2 DBB 9 2HG DBB 9 -1.971 -9.342 -18.836 80 HG3 DBB 9 3HG DBB 9 -0.911 -9.305 -17.406 81 H VAL 10 H VAL 10 0.623 -11.492 -16.075 82 HA VAL 10 HA VAL 10 1.613 -14.259 -16.318 83 HB VAL 10 HB VAL 10 1.925 -12.368 -13.984 84 HG11 VAL 10 1HG1 VAL 10 2.575 -15.303 -14.212 85 HG12 VAL 10 2HG1 VAL 10 3.151 -14.252 -12.917 86 HG13 VAL 10 3HG1 VAL 10 1.423 -14.547 -13.111 87 HG21 VAL 10 1HG2 VAL 10 3.907 -13.660 -15.851 88 HG22 VAL 10 2HG2 VAL 10 3.554 -11.940 -15.690 89 HG23 VAL 10 3HG2 VAL 10 4.349 -12.804 -14.374 90 H DAL 11 H DAL 11 -0.899 -12.158 -15.304 91 HA DAL 11 HA DAL 11 -2.989 -12.510 -14.363 92 HB1 DAL 11 2HB DAL 11 -3.014 -14.512 -12.652 93 HB2 DAL 11 3HB DAL 11 -1.251 -14.509 -12.899 94 H HIS 12 H HIS 12 -4.761 -13.495 -15.135 95 HA HIS 12 HA HIS 12 -4.416 -16.099 -16.470 96 HB2 HIS 12 2HB HIS 12 -6.177 -15.457 -14.445 97 HB3 HIS 12 3HB HIS 12 -7.172 -15.299 -15.890 98 HD1 HIS 12 HD1 HIS 12 -5.018 -17.849 -14.108 99 HD2 HIS 12 HD2 HIS 12 -8.030 -17.664 -16.963 100 HE1 HIS 12 HE1 HIS 12 -5.689 -20.235 -14.534 101 H ASP 13 H ASP 13 -4.845 -16.247 -18.586 102 HA ASP 13 HA ASP 13 -5.643 -15.747 -20.673 103 HB2 ASP 13 2HB ASP 13 -7.558 -14.611 -19.059 104 HB3 ASP 13 3HB ASP 13 -7.007 -13.237 -20.014 105 H CYS 14 H CYS 14 -4.894 -12.787 -18.836 106 HA CYS 14 HA CYS 14 -3.421 -11.096 -19.222 107 HB2 CYS 14 2HB CYS 14 -1.810 -12.963 -19.581 108 HB3 CYS 14 3HB CYS 14 -2.212 -12.937 -21.295 109 H HIS 15 H HIS 15 -3.913 -9.264 -20.221 110 HA HIS 15 HA HIS 15 -4.526 -9.297 -23.084 111 HB2 HIS 15 2HB HIS 15 -6.384 -8.578 -20.891 112 HB3 HIS 15 3HB HIS 15 -6.360 -7.489 -22.275 113 HD1 HIS 15 HD1 HIS 15 -7.679 -8.189 -24.273 114 HD2 HIS 15 HD2 HIS 15 -7.039 -11.327 -21.627 115 HE1 HIS 15 HE1 HIS 15 -9.055 -10.101 -25.152 116 H MET 16 H MET 16 -4.642 -6.927 -20.420 117 HA MET 16 HA MET 16 -2.286 -5.579 -21.061 118 HB2 MET 16 2HB MET 16 -4.446 -5.012 -22.859 119 HB3 MET 16 3HB MET 16 -4.079 -3.567 -21.927 120 HG2 MET 16 2HG MET 16 -2.106 -3.253 -22.941 121 HG3 MET 16 3HG MET 16 -1.738 -4.976 -22.987 122 HE1 MET 16 1HE MET 16 -1.160 -3.184 -26.091 123 HE2 MET 16 2HE MET 16 -2.663 -2.265 -26.174 124 HE3 MET 16 3HE MET 16 -1.700 -2.249 -24.696 125 H ASN 17 H ASN 17 -1.850 -4.864 -19.084 126 HA ASN 17 HA ASN 17 -3.252 -2.805 -17.830 127 HB2 ASN 17 2HB ASN 17 -4.535 -5.265 -17.455 128 HB3 ASN 17 3HB ASN 17 -3.670 -4.969 -15.950 129 HD21 ASN 17 1HD2 ASN 17 -5.670 -3.219 -18.301 130 HD22 ASN 17 2HD2 ASN 17 -6.583 -2.342 -17.125 131 H DAL 18 H DAL 18 -2.710 -3.200 -15.172 132 HA DAL 18 HA DAL 18 0.237 -3.176 -15.168 133 HB1 DAL 18 2HB DAL 18 -0.188 -4.533 -12.844 134 HB2 DAL 18 3HB DAL 18 -1.496 -5.214 -13.841 135 H PHE 19 H PHE 19 -2.299 -3.340 -12.672 136 HA PHE 19 HA PHE 19 -1.526 -0.621 -11.842 137 HB2 PHE 19 2HB PHE 19 -4.180 -2.041 -11.756 138 HB3 PHE 19 3HB PHE 19 -3.856 -0.629 -10.756 139 HD1 PHE 19 HD1 PHE 19 -3.717 -1.761 -14.300 140 HD2 PHE 19 HD2 PHE 19 -4.293 1.474 -11.595 141 HE1 PHE 19 HE1 PHE 19 -4.319 -0.298 -16.184 142 HE2 PHE 19 HE2 PHE 19 -4.897 2.943 -13.474 143 HZ PHE 19 HZ PHE 19 -4.911 2.057 -15.772 144 H GLN 20 H GLN 20 -2.420 -3.847 -10.725 145 HA GLN 20 HA GLN 20 -0.738 -3.568 -8.412 146 HB2 GLN 20 2HB GLN 20 -3.658 -3.251 -8.206 147 HB3 GLN 20 3HB GLN 20 -2.963 -4.407 -7.077 148 HG2 GLN 20 2HG GLN 20 -2.430 -2.716 -5.761 149 HG3 GLN 20 3HG GLN 20 -1.287 -2.174 -6.988 150 HE21 GLN 20 1HE2 GLN 20 -2.910 -0.641 -5.093 151 HE22 GLN 20 2HE2 GLN 20 -3.848 0.449 -6.048 152 H PHE 21 H PHE 21 -0.510 -5.574 -7.221 153 HA PHE 21 HA PHE 21 -1.311 -7.915 -8.822 154 HB2 PHE 21 2HB PHE 21 1.260 -7.269 -7.413 155 HB3 PHE 21 3HB PHE 21 0.803 -8.945 -7.701 156 HD1 PHE 21 HD1 PHE 21 1.919 -9.863 -9.472 157 HD2 PHE 21 HD2 PHE 21 0.684 -5.796 -9.707 158 HE1 PHE 21 HE1 PHE 21 2.833 -9.720 -11.752 159 HE2 PHE 21 HE2 PHE 21 1.596 -5.648 -11.987 160 HZ PHE 21 HZ PHE 21 2.671 -7.611 -13.013 161 H VAL 22 H VAL 22 -2.992 -8.787 -7.767 162 HA VAL 22 HA VAL 22 -3.176 -8.770 -4.893 163 HB VAL 22 HB VAL 22 -5.278 -9.944 -5.179 164 HG11 VAL 22 1HG1 VAL 22 -6.489 -8.267 -6.321 165 HG12 VAL 22 2HG1 VAL 22 -5.069 -7.465 -5.648 166 HG13 VAL 22 3HG1 VAL 22 -5.119 -7.881 -7.362 167 HG21 VAL 22 1HG2 VAL 22 -5.752 -10.110 -7.887 168 HG22 VAL 22 2HG2 VAL 22 -4.089 -10.676 -7.735 169 HG23 VAL 22 3HG2 VAL 22 -5.375 -11.461 -6.818 170 H PHE 23 H PHE 23 -1.839 -10.838 -7.258 171 HA PHE 23 HA PHE 23 -0.751 -12.609 -5.361 172 HB2 PHE 23 2HB PHE 23 -3.170 -13.368 -5.376 173 HB3 PHE 23 3HB PHE 23 -2.914 -13.879 -7.042 174 HD1 PHE 23 HD1 PHE 23 -1.263 -14.259 -3.715 175 HD2 PHE 23 HD2 PHE 23 -2.419 -16.088 -7.380 176 HE1 PHE 23 HE1 PHE 23 -0.385 -16.413 -2.912 177 HE2 PHE 23 HE2 PHE 23 -1.544 -18.245 -6.584 178 HZ PHE 23 HZ PHE 23 -0.526 -18.410 -4.347 179 H DBU 24 H DBU 24 0.241 -11.105 -7.480 180 HB DBU 24 HB DBU 24 2.951 -12.759 -9.857 181 HG1 DBU 24 1HG DBU 24 2.973 -14.205 -7.521 182 HG2 DBU 24 2HG DBU 24 2.755 -12.586 -6.843 183 HG3 DBU 24 3HG DBU 24 4.177 -12.950 -7.837 184 H CYS 25 H CYS 25 -1.262 -11.802 -9.661 185 HA CYS 25 HA CYS 25 -0.811 -11.784 -12.495 186 HB2 CYS 25 2HB CYS 25 -3.329 -10.932 -11.065 187 HB3 CYS 25 3HB CYS 25 -3.175 -11.539 -12.711 188 H CYS 26 H CYS 26 -1.558 -9.997 -13.893 189 HA CYS 26 HA CYS 26 -1.082 -7.361 -12.666 190 HB2 CYS 26 2HB CYS 26 0.834 -8.310 -14.084 191 HB3 CYS 26 3HB CYS 26 -0.225 -8.063 -15.468 192 H SER 27 H SER 27 -3.624 -8.399 -12.960 193 HA SER 27 HA SER 27 -5.679 -8.023 -13.877 194 HB2 SER 27 2HB SER 27 -4.229 -5.431 -14.022 195 HB3 SER 27 3HB SER 27 -5.745 -5.551 -14.915 196 HG SER 27 HG SER 27 -5.849 -4.843 -12.634 Start of MODEL 10 1 H1 LYS 1 H LYS 1 -0.896 2.507 -3.674 2 HA LYS 1 HA LYS 1 -0.895 3.382 -5.849 3 HB2 LYS 1 2HB LYS 1 1.336 4.972 -4.671 4 HB3 LYS 1 3HB LYS 1 1.305 4.760 -6.417 5 HG2 LYS 1 2HG LYS 1 -0.187 6.379 -6.602 6 HG3 LYS 1 3HG LYS 1 -1.304 5.492 -5.562 7 HD2 LYS 1 2HD LYS 1 -1.034 7.488 -4.416 8 HD3 LYS 1 3HD LYS 1 0.145 6.437 -3.627 9 HE2 LYS 1 2HE LYS 1 1.450 7.610 -5.831 10 HE3 LYS 1 3HE LYS 1 0.562 8.903 -5.025 11 HZ1 LYS 1 1HZ LYS 1 2.970 7.740 -4.249 12 HZ2 LYS 1 2HZ LYS 1 1.822 7.305 -3.086 13 HZ3 LYS 1 3HZ LYS 1 2.088 8.937 -3.441 14 H LYS 2 H LYS 2 -0.244 2.189 -7.550 15 HA LYS 2 HA LYS 2 0.825 0.575 -8.743 16 HB2 LYS 2 2HB LYS 2 3.291 1.485 -7.250 17 HB3 LYS 2 3HB LYS 2 3.251 0.601 -8.770 18 HG2 LYS 2 2HG LYS 2 1.754 2.792 -9.374 19 HG3 LYS 2 3HG LYS 2 2.934 3.460 -8.243 20 HD2 LYS 2 2HD LYS 2 4.709 2.296 -9.635 21 HD3 LYS 2 3HD LYS 2 3.446 2.025 -10.838 22 HE2 LYS 2 2HE LYS 2 3.303 4.240 -11.386 23 HE3 LYS 2 3HE LYS 2 3.806 4.781 -9.785 24 HZ1 LYS 2 1HZ LYS 2 6.064 3.835 -10.414 25 HZ2 LYS 2 2HZ LYS 2 5.595 5.274 -11.168 26 HZ3 LYS 2 3HZ LYS 2 5.494 3.808 -12.007 27 H LYS 3 H LYS 3 -0.534 -0.529 -6.787 28 HA LYS 3 HA LYS 3 0.726 -1.941 -4.776 29 HB2 LYS 3 2HB LYS 3 -1.830 -1.915 -5.979 30 HB3 LYS 3 3HB LYS 3 -1.305 -3.593 -5.965 31 HG2 LYS 3 2HG LYS 3 -0.653 -2.848 -3.451 32 HG3 LYS 3 3HG LYS 3 -2.064 -1.829 -3.745 33 HD2 LYS 3 2HD LYS 3 -3.487 -3.595 -3.824 34 HD3 LYS 3 3HD LYS 3 -2.289 -4.665 -4.556 35 HE2 LYS 3 2HE LYS 3 -2.744 -5.475 -2.358 36 HE3 LYS 3 3HE LYS 3 -1.135 -4.755 -2.343 37 HZ1 LYS 3 1HZ LYS 3 -3.327 -4.120 -0.729 38 HZ2 LYS 3 2HZ LYS 3 -2.998 -2.769 -1.693 39 HZ3 LYS 3 3HZ LYS 3 -1.784 -3.427 -0.715 40 H SER 4 H SER 4 2.377 -3.301 -4.869 41 HA SER 4 HA SER 4 3.870 -4.853 -5.613 42 HB2 SER 4 2HB SER 4 1.770 -6.237 -5.254 43 HB3 SER 4 3HB SER 4 1.507 -6.134 -6.994 44 HG SER 4 HG SER 4 2.902 -7.928 -5.825 45 H GLY 5 H GLY 5 4.215 -6.314 -7.861 46 HA2 GLY 5 2HA GLY 5 3.692 -5.285 -10.342 47 HA3 GLY 5 3HA GLY 5 5.027 -4.308 -9.747 48 H VAL 6 H VAL 6 4.325 -7.774 -9.376 49 HA VAL 6 HA VAL 6 6.942 -8.648 -9.610 50 HB VAL 6 HB VAL 6 4.436 -10.132 -10.414 51 HG11 VAL 6 1HG1 VAL 6 7.282 -10.911 -10.280 52 HG12 VAL 6 2HG1 VAL 6 6.120 -12.053 -9.600 53 HG13 VAL 6 3HG1 VAL 6 5.977 -11.543 -11.283 54 HG21 VAL 6 1HG2 VAL 6 4.548 -9.243 -8.063 55 HG22 VAL 6 2HG2 VAL 6 4.378 -10.993 -8.199 56 HG23 VAL 6 3HG2 VAL 6 5.948 -10.287 -7.814 57 H ILE 7 H ILE 7 4.561 -9.353 -12.150 58 HA ILE 7 HA ILE 7 6.432 -8.393 -14.181 59 HB ILE 7 HB ILE 7 5.292 -11.190 -14.168 60 HG12 ILE 7 2HG1 ILE 7 8.174 -10.272 -14.162 61 HG13 ILE 7 3HG1 ILE 7 7.298 -10.780 -12.722 62 HG21 ILE 7 1HG2 ILE 7 5.219 -10.321 -16.405 63 HG22 ILE 7 2HG2 ILE 7 6.870 -9.718 -16.271 64 HG23 ILE 7 3HG2 ILE 7 6.565 -11.454 -16.285 65 HD11 ILE 7 1HD1 ILE 7 6.876 -12.913 -14.292 66 HD12 ILE 7 2HD1 ILE 7 8.439 -12.378 -14.909 67 HD13 ILE 7 3HD1 ILE 7 8.249 -12.757 -13.197 68 HA PRO 8 HA PRO 8 2.460 -6.874 -15.565 69 HB2 PRO 8 2HB PRO 8 3.459 -5.374 -17.595 70 HB3 PRO 8 3HB PRO 8 3.511 -4.859 -15.904 71 HG2 PRO 8 2HG PRO 8 5.660 -6.113 -17.569 72 HG3 PRO 8 3HG PRO 8 5.775 -4.761 -16.427 73 HD2 PRO 8 2HD PRO 8 6.532 -7.280 -15.784 74 HD3 PRO 8 3HD PRO 8 5.852 -6.154 -14.592 75 H DBB 9 H DBB 9 2.147 -9.218 -16.233 76 HA DBB 9 HA DBB 9 2.501 -9.594 -19.161 77 HB2 DBB 9 3HB DBB 9 0.097 -10.834 -18.643 78 HG1 DBB 9 1HG DBB 9 0.171 -9.784 -16.325 79 HG2 DBB 9 2HG DBB 9 0.053 -8.196 -17.121 80 HG3 DBB 9 3HG DBB 9 -1.270 -9.374 -17.286 81 H VAL 10 H VAL 10 1.563 -11.102 -16.074 82 HA VAL 10 HA VAL 10 2.876 -13.577 -16.997 83 HB VAL 10 HB VAL 10 4.195 -12.422 -15.256 84 HG11 VAL 10 1HG1 VAL 10 2.731 -12.959 -12.930 85 HG12 VAL 10 2HG1 VAL 10 3.134 -11.379 -13.605 86 HG13 VAL 10 3HG1 VAL 10 1.610 -12.158 -14.030 87 HG21 VAL 10 1HG2 VAL 10 4.864 -14.415 -14.514 88 HG22 VAL 10 2HG2 VAL 10 3.338 -14.697 -13.675 89 HG23 VAL 10 3HG2 VAL 10 3.491 -15.099 -15.385 90 H DAL 11 H DAL 11 0.018 -12.160 -15.967 91 HA DAL 11 HA DAL 11 -2.069 -12.977 -15.377 92 HB1 DAL 11 2HB DAL 11 -1.738 -15.322 -14.010 93 HB2 DAL 11 3HB DAL 11 -0.124 -14.602 -13.809 94 H HIS 12 H HIS 12 -3.250 -13.739 -16.989 95 HA HIS 12 HA HIS 12 -2.338 -16.094 -18.467 96 HB2 HIS 12 2HB HIS 12 -4.930 -15.832 -16.977 97 HB3 HIS 12 3HB HIS 12 -4.845 -16.821 -18.432 98 HD1 HIS 12 HD1 HIS 12 -4.532 -17.098 -14.904 99 HD2 HIS 12 HD2 HIS 12 -2.571 -18.804 -18.145 100 HE1 HIS 12 HE1 HIS 12 -3.417 -19.165 -14.004 101 H ASP 13 H ASP 13 -4.650 -13.428 -18.227 102 HA ASP 13 HA ASP 13 -5.044 -13.497 -21.128 103 HB2 ASP 13 2HB ASP 13 -6.465 -11.965 -18.942 104 HB3 ASP 13 3HB ASP 13 -6.817 -11.784 -20.658 105 H CYS 14 H CYS 14 -4.136 -11.218 -18.553 106 HA CYS 14 HA CYS 14 -2.801 -9.376 -18.562 107 HB2 CYS 14 2HB CYS 14 -1.371 -11.034 -19.978 108 HB3 CYS 14 3HB CYS 14 -1.864 -10.030 -21.338 109 H HIS 15 H HIS 15 -4.863 -8.226 -18.696 110 HA HIS 15 HA HIS 15 -4.934 -6.535 -21.083 111 HB2 HIS 15 2HB HIS 15 -7.451 -6.637 -21.048 112 HB3 HIS 15 3HB HIS 15 -6.658 -8.120 -21.569 113 HD1 HIS 15 HD1 HIS 15 -6.394 -9.961 -19.531 114 HD2 HIS 15 HD2 HIS 15 -9.304 -7.025 -19.115 115 HE1 HIS 15 HE1 HIS 15 -7.983 -10.832 -17.788 116 H MET 16 H MET 16 -3.901 -5.038 -19.629 117 HA MET 16 HA MET 16 -5.682 -3.202 -18.470 118 HB2 MET 16 2HB MET 16 -4.731 -5.323 -16.709 119 HB3 MET 16 3HB MET 16 -4.326 -3.721 -16.109 120 HG2 MET 16 2HG MET 16 -6.898 -3.329 -16.778 121 HG3 MET 16 3HG MET 16 -6.940 -5.044 -16.375 122 HE1 MET 16 1HE MET 16 -8.211 -2.531 -13.373 123 HE2 MET 16 2HE MET 16 -8.288 -2.334 -15.123 124 HE3 MET 16 3HE MET 16 -8.827 -3.841 -14.380 125 H ASN 17 H ASN 17 -2.526 -4.193 -17.184 126 HA ASN 17 HA ASN 17 -0.916 -2.508 -18.710 127 HB2 ASN 17 2HB ASN 17 -2.520 -1.004 -17.017 128 HB3 ASN 17 3HB ASN 17 -0.992 -1.115 -16.148 129 HD21 ASN 17 1HD2 ASN 17 0.110 0.672 -16.468 130 HD22 ASN 17 2HD2 ASN 17 0.326 1.479 -17.980 131 H DAL 18 H DAL 18 -1.201 -3.052 -15.194 132 HA DAL 18 HA DAL 18 1.507 -4.287 -15.236 133 HB1 DAL 18 2HB DAL 18 0.503 -6.249 -14.699 134 HB2 DAL 18 3HB DAL 18 0.117 -5.506 -13.129 135 H PHE 19 H PHE 19 -0.913 -3.641 -12.712 136 HA PHE 19 HA PHE 19 1.090 -2.425 -11.041 137 HB2 PHE 19 2HB PHE 19 0.103 -0.239 -10.868 138 HB3 PHE 19 3HB PHE 19 0.400 -0.564 -12.572 139 HD1 PHE 19 HD1 PHE 19 -1.897 0.726 -10.326 140 HD2 PHE 19 HD2 PHE 19 -1.678 -1.752 -13.779 141 HE1 PHE 19 HE1 PHE 19 -4.256 1.218 -10.824 142 HE2 PHE 19 HE2 PHE 19 -4.036 -1.264 -14.284 143 HZ PHE 19 HZ PHE 19 -5.328 0.224 -12.806 144 H GLN 20 H GLN 20 -0.628 -4.687 -10.833 145 HA GLN 20 HA GLN 20 -1.563 -4.411 -8.220 146 HB2 GLN 20 2HB GLN 20 -3.370 -3.349 -10.119 147 HB3 GLN 20 3HB GLN 20 -4.058 -4.868 -9.560 148 HG2 GLN 20 2HG GLN 20 -3.098 -3.483 -7.290 149 HG3 GLN 20 3HG GLN 20 -4.020 -2.341 -8.267 150 HE21 GLN 20 1HE2 GLN 20 -6.194 -2.971 -8.883 151 HE22 GLN 20 2HE2 GLN 20 -7.114 -3.974 -7.819 152 H PHE 21 H PHE 21 -1.285 -6.395 -7.470 153 HA PHE 21 HA PHE 21 -2.006 -8.667 -9.203 154 HB2 PHE 21 2HB PHE 21 0.319 -8.306 -7.326 155 HB3 PHE 21 3HB PHE 21 -0.229 -9.908 -7.808 156 HD1 PHE 21 HD1 PHE 21 1.061 -10.861 -9.434 157 HD2 PHE 21 HD2 PHE 21 0.394 -6.659 -9.543 158 HE1 PHE 21 HE1 PHE 21 2.407 -10.705 -11.488 159 HE2 PHE 21 HE2 PHE 21 1.739 -6.495 -11.597 160 HZ PHE 21 HZ PHE 21 2.747 -8.520 -12.573 161 H VAL 22 H VAL 22 -3.138 -10.352 -8.313 162 HA VAL 22 HA VAL 22 -4.074 -9.959 -5.544 163 HB VAL 22 HB VAL 22 -5.591 -11.332 -7.764 164 HG11 VAL 22 1HG1 VAL 22 -7.353 -10.471 -5.815 165 HG12 VAL 22 2HG1 VAL 22 -6.782 -12.124 -6.054 166 HG13 VAL 22 3HG1 VAL 22 -5.969 -11.067 -4.899 167 HG21 VAL 22 1HG2 VAL 22 -5.662 -8.496 -6.783 168 HG22 VAL 22 2HG2 VAL 22 -5.533 -9.090 -8.439 169 HG23 VAL 22 3HG2 VAL 22 -7.057 -9.242 -7.564 170 H PHE 23 H PHE 23 -2.421 -12.007 -7.675 171 HA PHE 23 HA PHE 23 -1.711 -13.868 -5.726 172 HB2 PHE 23 2HB PHE 23 -2.970 -15.860 -6.865 173 HB3 PHE 23 3HB PHE 23 -3.793 -14.886 -5.651 174 HD1 PHE 23 HD1 PHE 23 -6.001 -14.568 -6.150 175 HD2 PHE 23 HD2 PHE 23 -3.155 -14.535 -9.315 176 HE1 PHE 23 HE1 PHE 23 -7.800 -14.085 -7.757 177 HE2 PHE 23 HE2 PHE 23 -4.949 -14.050 -10.927 178 HZ PHE 23 HZ PHE 23 -7.275 -13.824 -10.149 179 H DBU 24 H DBU 24 -0.574 -12.359 -7.883 180 HB DBU 24 HB DBU 24 2.269 -14.301 -9.959 181 HG1 DBU 24 1HG DBU 24 3.170 -14.996 -7.824 182 HG2 DBU 24 2HG DBU 24 1.661 -15.918 -7.850 183 HG3 DBU 24 3HG DBU 24 1.742 -14.372 -6.987 184 H CYS 25 H CYS 25 -1.755 -12.882 -10.225 185 HA CYS 25 HA CYS 25 -0.633 -12.228 -12.846 186 HB2 CYS 25 2HB CYS 25 -3.557 -12.330 -12.114 187 HB3 CYS 25 3HB CYS 25 -2.835 -12.443 -13.716 188 H CYS 26 H CYS 26 -2.145 -10.405 -13.935 189 HA CYS 26 HA CYS 26 -1.844 -8.058 -12.189 190 HB2 CYS 26 2HB CYS 26 -0.470 -7.970 -14.194 191 HB3 CYS 26 3HB CYS 26 -1.879 -8.270 -15.206 192 H SER 27 H SER 27 -4.076 -9.808 -14.227 193 HA SER 27 HA SER 27 -6.195 -7.895 -13.493 194 HB2 SER 27 2HB SER 27 -7.369 -9.100 -15.527 195 HB3 SER 27 3HB SER 27 -6.214 -7.797 -15.805 196 HG SER 27 HG SER 27 -6.080 -10.371 -16.572 Start of MODEL 11 1 H1 LYS 1 H LYS 1 8.778 -1.707 2.776 2 HA LYS 1 HA LYS 1 7.005 -3.227 0.986 3 HB2 LYS 1 2HB LYS 1 6.500 -2.923 3.513 4 HB3 LYS 1 3HB LYS 1 6.051 -1.282 3.068 5 HG2 LYS 1 2HG LYS 1 4.113 -1.930 2.167 6 HG3 LYS 1 3HG LYS 1 4.835 -3.337 1.383 7 HD2 LYS 1 2HD LYS 1 4.651 -3.501 4.313 8 HD3 LYS 1 3HD LYS 1 3.101 -3.458 3.469 9 HE2 LYS 1 2HE LYS 1 3.639 -5.388 2.202 10 HE3 LYS 1 3HE LYS 1 5.330 -5.327 2.698 11 HZ1 LYS 1 1HZ LYS 1 3.007 -6.334 4.140 12 HZ2 LYS 1 2HZ LYS 1 4.184 -5.543 5.062 13 HZ3 LYS 1 3HZ LYS 1 4.604 -6.894 4.134 14 H LYS 2 H LYS 2 6.572 -2.310 -0.898 15 HA LYS 2 HA LYS 2 6.398 0.626 -1.035 16 HB2 LYS 2 2HB LYS 2 7.875 -1.271 -2.825 17 HB3 LYS 2 3HB LYS 2 7.241 0.233 -3.479 18 HG2 LYS 2 2HG LYS 2 8.707 1.529 -2.300 19 HG3 LYS 2 3HG LYS 2 8.876 0.348 -0.999 20 HD2 LYS 2 2HD LYS 2 9.896 -1.027 -3.116 21 HD3 LYS 2 3HD LYS 2 10.375 0.626 -3.509 22 HE2 LYS 2 2HE LYS 2 11.123 0.676 -0.998 23 HE3 LYS 2 3HE LYS 2 11.141 -1.077 -1.180 24 HZ1 LYS 2 1HZ LYS 2 13.038 -0.971 -2.297 25 HZ2 LYS 2 2HZ LYS 2 13.137 0.668 -1.891 26 HZ3 LYS 2 3HZ LYS 2 12.442 0.201 -3.362 27 H LYS 3 H LYS 3 4.578 1.383 -1.909 28 HA LYS 3 HA LYS 3 2.382 -0.202 -2.481 29 HB2 LYS 3 2HB LYS 3 3.093 2.628 -3.185 30 HB3 LYS 3 3HB LYS 3 1.598 1.915 -3.779 31 HG2 LYS 3 2HG LYS 3 1.569 1.298 -1.095 32 HG3 LYS 3 3HG LYS 3 2.266 2.919 -1.139 33 HD2 LYS 3 2HD LYS 3 -0.109 3.141 -0.949 34 HD3 LYS 3 3HD LYS 3 0.351 3.618 -2.585 35 HE2 LYS 3 2HE LYS 3 -0.121 0.883 -2.755 36 HE3 LYS 3 3HE LYS 3 -1.396 1.486 -1.697 37 HZ1 LYS 3 1HZ LYS 3 -1.372 3.316 -3.670 38 HZ2 LYS 3 2HZ LYS 3 -2.420 1.990 -3.601 39 HZ3 LYS 3 3HZ LYS 3 -1.003 1.901 -4.522 40 H SER 4 H SER 4 1.700 -1.324 -4.197 41 HA SER 4 HA SER 4 1.638 -2.277 -6.262 42 HB2 SER 4 2HB SER 4 2.941 0.251 -7.282 43 HB3 SER 4 3HB SER 4 1.924 -0.874 -8.182 44 HG SER 4 HG SER 4 0.311 0.306 -7.570 45 H GLY 5 H GLY 5 3.049 -2.998 -8.135 46 HA2 GLY 5 2HA GLY 5 5.655 -2.855 -8.567 47 HA3 GLY 5 3HA GLY 5 5.658 -3.720 -7.037 48 H VAL 6 H VAL 6 3.727 -3.919 -10.031 49 HA VAL 6 HA VAL 6 4.374 -6.794 -10.122 50 HB VAL 6 HB VAL 6 1.890 -5.980 -11.462 51 HG11 VAL 6 1HG1 VAL 6 3.034 -8.275 -10.053 52 HG12 VAL 6 2HG1 VAL 6 1.314 -8.025 -9.746 53 HG13 VAL 6 3HG1 VAL 6 1.896 -8.220 -11.399 54 HG21 VAL 6 1HG2 VAL 6 2.220 -5.690 -8.490 55 HG22 VAL 6 2HG2 VAL 6 1.524 -4.544 -9.636 56 HG23 VAL 6 3HG2 VAL 6 0.655 -6.024 -9.231 57 H ILE 7 H ILE 7 3.354 -7.471 -12.534 58 HA ILE 7 HA ILE 7 4.471 -5.627 -14.511 59 HB ILE 7 HB ILE 7 5.275 -8.535 -14.356 60 HG12 ILE 7 2HG1 ILE 7 7.599 -7.239 -14.199 61 HG13 ILE 7 3HG1 ILE 7 6.576 -6.000 -13.479 62 HG21 ILE 7 1HG2 ILE 7 5.023 -7.642 -16.647 63 HG22 ILE 7 2HG2 ILE 7 6.192 -6.381 -16.255 64 HG23 ILE 7 3HG2 ILE 7 6.688 -8.074 -16.256 65 HD11 ILE 7 1HD1 ILE 7 6.032 -8.604 -12.360 66 HD12 ILE 7 2HD1 ILE 7 7.730 -8.157 -12.193 67 HD13 ILE 7 3HD1 ILE 7 6.472 -7.096 -11.559 68 HA PRO 8 HA PRO 8 0.792 -6.866 -16.632 69 HB2 PRO 8 2HB PRO 8 1.366 -5.710 -19.021 70 HB3 PRO 8 3HB PRO 8 0.849 -4.785 -17.605 71 HG2 PRO 8 2HG PRO 8 3.609 -5.219 -18.680 72 HG3 PRO 8 3HG PRO 8 2.870 -3.730 -18.063 73 HD2 PRO 8 2HD PRO 8 4.555 -5.243 -16.579 74 HD3 PRO 8 3HD PRO 8 3.219 -4.319 -15.862 75 H DBB 9 H DBB 9 0.759 -9.028 -16.997 76 HA DBB 9 HA DBB 9 2.367 -10.068 -19.280 77 HB2 DBB 9 3HB DBB 9 0.187 -10.263 -20.073 78 HG1 DBB 9 1HG DBB 9 -0.349 -12.551 -20.047 79 HG2 DBB 9 2HG DBB 9 1.365 -12.565 -19.569 80 HG3 DBB 9 3HG DBB 9 0.096 -12.735 -18.333 81 H VAL 10 H VAL 10 1.040 -10.646 -16.070 82 HA VAL 10 HA VAL 10 2.941 -12.878 -15.770 83 HB VAL 10 HB VAL 10 3.054 -12.370 -13.399 84 HG11 VAL 10 1HG1 VAL 10 3.617 -10.181 -15.353 85 HG12 VAL 10 2HG1 VAL 10 3.930 -9.928 -13.635 86 HG13 VAL 10 3HG1 VAL 10 4.740 -11.237 -14.497 87 HG21 VAL 10 1HG2 VAL 10 1.980 -10.029 -12.804 88 HG22 VAL 10 2HG2 VAL 10 0.855 -10.488 -14.082 89 HG23 VAL 10 3HG2 VAL 10 1.058 -11.527 -12.672 90 H DAL 11 H DAL 11 -0.347 -11.834 -15.409 91 HA DAL 11 HA DAL 11 -2.313 -12.968 -14.938 92 HB1 DAL 11 2HB DAL 11 -2.113 -14.692 -13.053 93 HB2 DAL 11 3HB DAL 11 -0.375 -14.314 -13.014 94 H HIS 12 H HIS 12 -3.237 -15.285 -14.878 95 HA HIS 12 HA HIS 12 -1.666 -17.119 -16.535 96 HB2 HIS 12 2HB HIS 12 -2.942 -17.768 -14.346 97 HB3 HIS 12 3HB HIS 12 -4.358 -17.787 -15.393 98 HD1 HIS 12 HD1 HIS 12 -1.834 -19.958 -14.140 99 HD2 HIS 12 HD2 HIS 12 -3.809 -19.571 -17.775 100 HE1 HIS 12 HE1 HIS 12 -1.528 -22.163 -15.310 101 H ASP 13 H ASP 13 -4.361 -14.980 -16.654 102 HA ASP 13 HA ASP 13 -4.981 -15.930 -19.375 103 HB2 ASP 13 2HB ASP 13 -6.772 -15.067 -17.148 104 HB3 ASP 13 3HB ASP 13 -7.255 -14.688 -18.799 105 H CYS 14 H CYS 14 -3.554 -13.526 -17.662 106 HA CYS 14 HA CYS 14 -4.491 -11.123 -18.635 107 HB2 CYS 14 2HB CYS 14 -2.817 -10.922 -17.032 108 HB3 CYS 14 3HB CYS 14 -1.765 -12.081 -17.839 109 H HIS 15 H HIS 15 -4.493 -10.108 -20.544 110 HA HIS 15 HA HIS 15 -2.704 -11.034 -22.669 111 HB2 HIS 15 2HB HIS 15 -4.981 -12.164 -22.830 112 HB3 HIS 15 3HB HIS 15 -5.640 -10.570 -23.187 113 HD1 HIS 15 HD1 HIS 15 -2.729 -12.627 -24.548 114 HD2 HIS 15 HD2 HIS 15 -5.878 -10.249 -25.848 115 HE1 HIS 15 HE1 HIS 15 -2.577 -12.624 -27.058 116 H MET 16 H MET 16 -1.804 -8.925 -21.770 117 HA MET 16 HA MET 16 -1.312 -6.728 -22.085 118 HB2 MET 16 2HB MET 16 -3.042 -6.897 -24.552 119 HB3 MET 16 3HB MET 16 -1.732 -5.766 -24.242 120 HG2 MET 16 2HG MET 16 -0.330 -7.992 -24.044 121 HG3 MET 16 3HG MET 16 -1.631 -8.616 -25.055 122 HE1 MET 16 1HE MET 16 1.522 -5.487 -26.142 123 HE2 MET 16 2HE MET 16 0.170 -4.919 -25.162 124 HE3 MET 16 3HE MET 16 1.213 -6.209 -24.562 125 H ASN 17 H ASN 17 -2.322 -5.770 -20.374 126 HA ASN 17 HA ASN 17 -4.630 -4.162 -20.964 127 HB2 ASN 17 2HB ASN 17 -4.812 -6.508 -19.094 128 HB3 ASN 17 3HB ASN 17 -5.814 -5.082 -18.840 129 HD21 ASN 17 1HD2 ASN 17 -7.363 -4.526 -20.405 130 HD22 ASN 17 2HD2 ASN 17 -7.953 -5.691 -21.536 131 H DAL 18 H DAL 18 -3.436 -5.429 -17.870 132 HA DAL 18 HA DAL 18 -1.741 -3.232 -17.221 133 HB1 DAL 18 2HB DAL 18 -1.462 -4.296 -15.171 134 HB2 DAL 18 3HB DAL 18 -3.172 -4.778 -15.071 135 H PHE 19 H PHE 19 -4.870 -4.108 -15.740 136 HA PHE 19 HA PHE 19 -5.515 -1.239 -15.626 137 HB2 PHE 19 2HB PHE 19 -7.235 -3.697 -15.821 138 HB3 PHE 19 3HB PHE 19 -7.897 -2.178 -15.228 139 HD1 PHE 19 HD1 PHE 19 -5.697 -3.253 -18.049 140 HD2 PHE 19 HD2 PHE 19 -9.073 -0.991 -16.785 141 HE1 PHE 19 HE1 PHE 19 -6.067 -2.516 -20.367 142 HE2 PHE 19 HE2 PHE 19 -9.449 -0.251 -19.101 143 HZ PHE 19 HZ PHE 19 -7.945 -1.014 -20.896 144 H GLN 20 H GLN 20 -5.328 -4.207 -13.764 145 HA GLN 20 HA GLN 20 -4.757 -2.932 -11.348 146 HB2 GLN 20 2HB GLN 20 -7.581 -3.087 -11.974 147 HB3 GLN 20 3HB GLN 20 -7.209 -3.975 -10.503 148 HG2 GLN 20 2HG GLN 20 -5.838 -1.495 -10.404 149 HG3 GLN 20 3HG GLN 20 -7.512 -1.184 -10.860 150 HE21 GLN 20 1HE2 GLN 20 -5.497 -1.408 -8.316 151 HE22 GLN 20 2HE2 GLN 20 -6.618 -1.841 -7.075 152 H PHE 21 H PHE 21 -3.872 -4.376 -9.990 153 HA PHE 21 HA PHE 21 -4.133 -7.209 -10.692 154 HB2 PHE 21 2HB PHE 21 -2.100 -5.955 -8.843 155 HB3 PHE 21 3HB PHE 21 -2.043 -7.558 -9.568 156 HD1 PHE 21 HD1 PHE 21 -1.185 -7.893 -11.746 157 HD2 PHE 21 HD2 PHE 21 -1.776 -3.948 -10.261 158 HE1 PHE 21 HE1 PHE 21 0.098 -6.992 -13.642 159 HE2 PHE 21 HE2 PHE 21 -0.495 -3.040 -12.155 160 HZ PHE 21 HZ PHE 21 0.443 -4.562 -13.849 161 H VAL 22 H VAL 22 -5.576 -8.323 -9.565 162 HA VAL 22 HA VAL 22 -6.477 -7.448 -6.969 163 HB VAL 22 HB VAL 22 -7.187 -10.002 -8.416 164 HG11 VAL 22 1HG1 VAL 22 -8.427 -8.500 -6.123 165 HG12 VAL 22 2HG1 VAL 22 -9.295 -9.729 -7.045 166 HG13 VAL 22 3HG1 VAL 22 -7.839 -10.162 -6.149 167 HG21 VAL 22 1HG2 VAL 22 -8.158 -8.696 -9.942 168 HG22 VAL 22 2HG2 VAL 22 -9.309 -8.249 -8.682 169 HG23 VAL 22 3HG2 VAL 22 -7.893 -7.241 -8.980 170 H PHE 23 H PHE 23 -4.051 -9.522 -8.157 171 HA PHE 23 HA PHE 23 -3.040 -10.115 -5.600 172 HB2 PHE 23 2HB PHE 23 -5.063 -11.655 -5.695 173 HB3 PHE 23 3HB PHE 23 -4.217 -12.536 -6.962 174 HD1 PHE 23 HD1 PHE 23 -2.943 -14.346 -6.356 175 HD2 PHE 23 HD2 PHE 23 -3.635 -11.261 -3.505 176 HE1 PHE 23 HE1 PHE 23 -1.758 -15.662 -4.648 177 HE2 PHE 23 HE2 PHE 23 -2.450 -12.573 -1.794 178 HZ PHE 23 HZ PHE 23 -1.509 -14.776 -2.364 179 H DBU 24 H DBU 24 -2.194 -9.183 -8.212 180 HB DBU 24 HB DBU 24 1.444 -10.495 -9.313 181 HG1 DBU 24 1HG DBU 24 0.361 -10.194 -6.425 182 HG2 DBU 24 2HG DBU 24 1.838 -9.446 -7.047 183 HG3 DBU 24 3HG DBU 24 1.713 -11.211 -6.939 184 H CYS 25 H CYS 25 -2.519 -11.386 -10.142 185 HA CYS 25 HA CYS 25 -1.383 -11.403 -12.767 186 HB2 CYS 25 2HB CYS 25 -4.255 -11.944 -11.994 187 HB3 CYS 25 3HB CYS 25 -3.430 -12.472 -13.457 188 H CYS 26 H CYS 26 -2.605 -10.530 -14.668 189 HA CYS 26 HA CYS 26 -3.414 -7.767 -14.094 190 HB2 CYS 26 2HB CYS 26 -1.666 -8.883 -16.004 191 HB3 CYS 26 3HB CYS 26 -3.069 -8.311 -16.901 192 H SER 27 H SER 27 -5.050 -6.849 -15.668 193 HA SER 27 HA SER 27 -7.498 -8.108 -15.368 194 HB2 SER 27 2HB SER 27 -6.988 -5.663 -15.997 195 HB3 SER 27 3HB SER 27 -6.931 -6.239 -17.663 196 HG SER 27 HG SER 27 -9.103 -6.108 -15.891 Start of MODEL 12 1 H1 LYS 1 H LYS 1 7.181 0.519 -5.022 2 HA LYS 1 HA LYS 1 5.913 -1.363 -4.843 3 HB2 LYS 1 2HB LYS 1 6.659 -1.180 -1.919 4 HB3 LYS 1 3HB LYS 1 5.854 -2.554 -2.666 5 HG2 LYS 1 2HG LYS 1 8.211 -1.940 -4.151 6 HG3 LYS 1 3HG LYS 1 8.617 -2.062 -2.438 7 HD2 LYS 1 2HD LYS 1 7.202 -4.226 -2.500 8 HD3 LYS 1 3HD LYS 1 7.413 -4.126 -4.249 9 HE2 LYS 1 2HE LYS 1 9.775 -3.924 -2.422 10 HE3 LYS 1 3HE LYS 1 9.099 -5.500 -2.831 11 HZ1 LYS 1 1HZ LYS 1 10.362 -3.519 -4.616 12 HZ2 LYS 1 2HZ LYS 1 9.314 -4.694 -5.234 13 HZ3 LYS 1 3HZ LYS 1 10.726 -5.160 -4.427 14 H LYS 2 H LYS 2 4.470 0.821 -5.121 15 HA LYS 2 HA LYS 2 2.161 0.340 -3.383 16 HB2 LYS 2 2HB LYS 2 3.483 2.987 -3.910 17 HB3 LYS 2 3HB LYS 2 1.774 2.895 -3.509 18 HG2 LYS 2 2HG LYS 2 3.420 1.360 -1.678 19 HG3 LYS 2 3HG LYS 2 3.868 3.066 -1.727 20 HD2 LYS 2 2HD LYS 2 0.990 2.278 -1.509 21 HD3 LYS 2 3HD LYS 2 2.021 2.260 -0.077 22 HE2 LYS 2 2HE LYS 2 2.587 4.687 -1.285 23 HE3 LYS 2 3HE LYS 2 0.847 4.502 -1.498 24 HZ1 LYS 2 1HZ LYS 2 0.481 4.497 0.755 25 HZ2 LYS 2 2HZ LYS 2 1.770 5.586 0.645 26 HZ3 LYS 2 3HZ LYS 2 2.050 3.992 1.137 27 H LYS 3 H LYS 3 2.977 2.611 -6.006 28 HA LYS 3 HA LYS 3 0.525 2.579 -7.276 29 HB2 LYS 3 2HB LYS 3 3.157 3.548 -7.843 30 HB3 LYS 3 3HB LYS 3 2.508 2.799 -9.296 31 HG2 LYS 3 2HG LYS 3 0.382 4.252 -8.574 32 HG3 LYS 3 3HG LYS 3 1.663 5.246 -7.879 33 HD2 LYS 3 2HD LYS 3 2.532 5.792 -9.917 34 HD3 LYS 3 3HD LYS 3 2.037 4.268 -10.657 35 HE2 LYS 3 2HE LYS 3 -0.147 6.052 -9.797 36 HE3 LYS 3 3HE LYS 3 0.840 6.640 -11.134 37 HZ1 LYS 3 1HZ LYS 3 -1.241 5.087 -11.510 38 HZ2 LYS 3 2HZ LYS 3 -0.089 3.874 -11.263 39 HZ3 LYS 3 3HZ LYS 3 0.125 5.002 -12.506 40 H SER 4 H SER 4 3.300 0.439 -7.773 41 HA SER 4 HA SER 4 1.668 -1.199 -9.587 42 HB2 SER 4 2HB SER 4 4.661 -1.161 -9.137 43 HB3 SER 4 3HB SER 4 3.825 -2.253 -10.241 44 HG SER 4 HG SER 4 3.854 -0.709 -11.648 45 H GLY 5 H GLY 5 0.902 -3.101 -8.931 46 HA2 GLY 5 2HA GLY 5 1.303 -3.992 -6.252 47 HA3 GLY 5 3HA GLY 5 0.395 -4.833 -7.501 48 H VAL 6 H VAL 6 2.185 -5.438 -9.390 49 HA VAL 6 HA VAL 6 4.545 -6.615 -8.167 50 HB VAL 6 HB VAL 6 2.403 -8.312 -9.453 51 HG11 VAL 6 1HG1 VAL 6 4.216 -10.098 -8.620 52 HG12 VAL 6 2HG1 VAL 6 4.208 -9.425 -10.251 53 HG13 VAL 6 3HG1 VAL 6 5.293 -8.764 -9.028 54 HG21 VAL 6 1HG2 VAL 6 2.430 -9.500 -7.297 55 HG22 VAL 6 2HG2 VAL 6 3.585 -8.321 -6.677 56 HG23 VAL 6 3HG2 VAL 6 1.957 -7.810 -7.122 57 H ILE 7 H ILE 7 2.856 -7.575 -11.120 58 HA ILE 7 HA ILE 7 4.757 -6.078 -12.752 59 HB ILE 7 HB ILE 7 4.434 -9.075 -12.926 60 HG12 ILE 7 2HG1 ILE 7 6.893 -7.370 -12.475 61 HG13 ILE 7 3HG1 ILE 7 6.019 -8.224 -11.208 62 HG21 ILE 7 1HG2 ILE 7 4.798 -8.869 -15.109 63 HG22 ILE 7 2HG2 ILE 7 5.072 -7.133 -14.961 64 HG23 ILE 7 3HG2 ILE 7 6.405 -8.261 -14.714 65 HD11 ILE 7 1HD1 ILE 7 6.486 -10.340 -12.517 66 HD12 ILE 7 2HD1 ILE 7 7.619 -9.375 -13.465 67 HD13 ILE 7 3HD1 ILE 7 7.862 -9.568 -11.729 68 HA PRO 8 HA PRO 8 0.956 -5.511 -14.984 69 HB2 PRO 8 2HB PRO 8 2.015 -4.033 -17.001 70 HB3 PRO 8 3HB PRO 8 1.701 -3.376 -15.390 71 HG2 PRO 8 2HG PRO 8 4.273 -4.356 -16.568 72 HG3 PRO 8 3HG PRO 8 3.972 -2.914 -15.581 73 HD2 PRO 8 2HD PRO 8 5.020 -5.189 -14.554 74 HD3 PRO 8 3HD PRO 8 3.975 -4.108 -13.610 75 H DBB 9 H DBB 9 1.284 -7.960 -15.387 76 HA DBB 9 HA DBB 9 2.018 -8.449 -18.230 77 HB2 DBB 9 3HB DBB 9 -0.019 -10.261 -17.669 78 HG1 DBB 9 1HG DBB 9 -1.842 -9.005 -16.676 79 HG2 DBB 9 2HG DBB 9 -0.456 -8.916 -15.563 80 HG3 DBB 9 3HG DBB 9 -0.850 -7.528 -16.605 81 H VAL 10 H VAL 10 0.994 -10.168 -15.269 82 HA VAL 10 HA VAL 10 3.195 -12.071 -15.743 83 HB VAL 10 HB VAL 10 3.750 -10.664 -13.838 84 HG11 VAL 10 1HG1 VAL 10 2.084 -9.819 -12.627 85 HG12 VAL 10 2HG1 VAL 10 0.947 -11.030 -13.223 86 HG13 VAL 10 3HG1 VAL 10 1.972 -11.389 -11.833 87 HG21 VAL 10 1HG2 VAL 10 4.599 -12.386 -12.681 88 HG22 VAL 10 2HG2 VAL 10 3.008 -13.072 -12.349 89 HG23 VAL 10 3HG2 VAL 10 3.802 -13.395 -13.890 90 H DAL 11 H DAL 11 -0.129 -11.604 -15.248 91 HA DAL 11 HA DAL 11 -1.937 -13.041 -15.050 92 HB1 DAL 11 2HB DAL 11 -1.256 -15.241 -13.668 93 HB2 DAL 11 3HB DAL 11 0.160 -14.242 -13.262 94 H HIS 12 H HIS 12 -2.609 -14.072 -16.795 95 HA HIS 12 HA HIS 12 -0.784 -15.876 -18.200 96 HB2 HIS 12 2HB HIS 12 -2.908 -16.801 -16.596 97 HB3 HIS 12 3HB HIS 12 -3.445 -16.979 -18.264 98 HD1 HIS 12 HD1 HIS 12 -0.865 -17.838 -19.627 99 HD2 HIS 12 HD2 HIS 12 -2.114 -19.311 -15.948 100 HE1 HIS 12 HE1 HIS 12 0.290 -20.057 -19.363 101 H ASP 13 H ASP 13 -0.706 -15.307 -20.261 102 HA ASP 13 HA ASP 13 -1.272 -14.508 -22.315 103 HB2 ASP 13 2HB ASP 13 -3.184 -16.203 -21.888 104 HB3 ASP 13 3HB ASP 13 -4.179 -14.780 -21.594 105 H CYS 14 H CYS 14 -0.616 -12.578 -20.602 106 HA CYS 14 HA CYS 14 -2.387 -10.592 -19.924 107 HB2 CYS 14 2HB CYS 14 0.209 -10.786 -19.610 108 HB3 CYS 14 3HB CYS 14 0.268 -9.841 -21.094 109 H HIS 15 H HIS 15 -3.108 -8.676 -20.915 110 HA HIS 15 HA HIS 15 -2.794 -8.473 -23.817 111 HB2 HIS 15 2HB HIS 15 -4.918 -9.768 -23.149 112 HB3 HIS 15 3HB HIS 15 -5.523 -8.218 -22.571 113 HD1 HIS 15 HD1 HIS 15 -6.482 -6.651 -24.282 114 HD2 HIS 15 HD2 HIS 15 -4.433 -9.832 -25.998 115 HE1 HIS 15 HE1 HIS 15 -6.955 -6.504 -26.747 116 H MET 16 H MET 16 -1.498 -6.868 -22.057 117 HA MET 16 HA MET 16 -1.059 -4.674 -21.649 118 HB2 MET 16 2HB MET 16 -2.702 -4.670 -23.980 119 HB3 MET 16 3HB MET 16 -3.195 -3.323 -22.963 120 HG2 MET 16 2HG MET 16 -1.095 -2.322 -23.060 121 HG3 MET 16 3HG MET 16 -0.312 -3.805 -23.602 122 HE1 MET 16 1HE MET 16 -1.224 -5.019 -25.734 123 HE2 MET 16 2HE MET 16 -1.287 -4.141 -27.262 124 HE3 MET 16 3HE MET 16 0.207 -4.171 -26.324 125 H ASN 17 H ASN 17 -1.472 -4.508 -19.503 126 HA ASN 17 HA ASN 17 -3.574 -2.914 -18.597 127 HB2 ASN 17 2HB ASN 17 -4.460 -5.509 -19.053 128 HB3 ASN 17 3HB ASN 17 -4.162 -5.464 -17.318 129 HD21 ASN 17 1HD2 ASN 17 -6.156 -5.366 -16.505 130 HD22 ASN 17 2HD2 ASN 17 -7.316 -4.139 -16.870 131 H DAL 18 H DAL 18 -3.890 -3.592 -16.006 132 HA DAL 18 HA DAL 18 -1.141 -3.351 -14.946 133 HB1 DAL 18 2HB DAL 18 -1.341 -5.604 -14.430 134 HB2 DAL 18 3HB DAL 18 -2.153 -4.907 -13.008 135 H PHE 19 H PHE 19 -4.347 -3.873 -13.494 136 HA PHE 19 HA PHE 19 -4.253 -1.126 -12.452 137 HB2 PHE 19 2HB PHE 19 -6.619 -1.171 -12.298 138 HB3 PHE 19 3HB PHE 19 -6.233 -1.900 -13.854 139 HD1 PHE 19 HD1 PHE 19 -7.935 -2.300 -10.756 140 HD2 PHE 19 HD2 PHE 19 -6.167 -4.450 -13.976 141 HE1 PHE 19 HE1 PHE 19 -9.240 -4.293 -10.137 142 HE2 PHE 19 HE2 PHE 19 -7.469 -6.445 -13.364 143 HZ PHE 19 HZ PHE 19 -9.009 -6.369 -11.443 144 H GLN 20 H GLN 20 -4.554 -4.496 -11.548 145 HA GLN 20 HA GLN 20 -3.493 -4.147 -8.991 146 HB2 GLN 20 2HB GLN 20 -6.121 -3.274 -9.064 147 HB3 GLN 20 3HB GLN 20 -6.252 -4.908 -8.429 148 HG2 GLN 20 2HG GLN 20 -5.485 -4.288 -6.446 149 HG3 GLN 20 3HG GLN 20 -4.097 -3.470 -7.163 150 HE21 GLN 20 1HE2 GLN 20 -6.566 -2.980 -5.178 151 HE22 GLN 20 2HE2 GLN 20 -6.897 -1.310 -5.471 152 H PHE 21 H PHE 21 -3.600 -6.130 -7.674 153 HA PHE 21 HA PHE 21 -4.113 -8.494 -9.358 154 HB2 PHE 21 2HB PHE 21 -2.010 -8.166 -7.208 155 HB3 PHE 21 3HB PHE 21 -2.274 -9.610 -8.181 156 HD1 PHE 21 HD1 PHE 21 -1.381 -6.015 -8.435 157 HD2 PHE 21 HD2 PHE 21 -1.170 -9.880 -10.206 158 HE1 PHE 21 HE1 PHE 21 0.178 -5.150 -10.131 159 HE2 PHE 21 HE2 PHE 21 0.390 -9.021 -11.903 160 HZ PHE 21 HZ PHE 21 1.067 -6.654 -11.867 161 H VAL 22 H VAL 22 -4.750 -10.445 -8.250 162 HA VAL 22 HA VAL 22 -6.118 -9.914 -5.692 163 HB VAL 22 HB VAL 22 -7.842 -11.519 -6.345 164 HG11 VAL 22 1HG1 VAL 22 -7.350 -9.267 -8.282 165 HG12 VAL 22 2HG1 VAL 22 -8.854 -10.188 -8.220 166 HG13 VAL 22 3HG1 VAL 22 -8.339 -9.242 -6.823 167 HG21 VAL 22 1HG2 VAL 22 -6.748 -13.029 -7.772 168 HG22 VAL 22 2HG2 VAL 22 -7.897 -12.184 -8.809 169 HG23 VAL 22 3HG2 VAL 22 -6.190 -11.745 -8.844 170 H PHE 23 H PHE 23 -3.930 -11.888 -7.427 171 HA PHE 23 HA PHE 23 -3.071 -13.274 -5.135 172 HB2 PHE 23 2HB PHE 23 -5.282 -14.442 -5.609 173 HB3 PHE 23 3HB PHE 23 -4.535 -15.060 -7.078 174 HD1 PHE 23 HD1 PHE 23 -3.442 -14.706 -3.525 175 HD2 PHE 23 HD2 PHE 23 -3.952 -17.263 -6.889 176 HE1 PHE 23 HE1 PHE 23 -2.484 -16.576 -2.244 177 HE2 PHE 23 HE2 PHE 23 -2.996 -19.137 -5.613 178 HZ PHE 23 HZ PHE 23 -2.261 -18.795 -3.288 179 H DBU 24 H DBU 24 -2.044 -11.807 -7.413 180 HB DBU 24 HB DBU 24 1.371 -13.380 -8.903 181 HG1 DBU 24 1HG DBU 24 2.034 -13.671 -6.552 182 HG2 DBU 24 2HG DBU 24 0.910 -15.003 -6.851 183 HG3 DBU 24 3HG DBU 24 0.348 -13.531 -6.038 184 H CYS 25 H CYS 25 -2.620 -13.067 -9.933 185 HA CYS 25 HA CYS 25 -1.279 -12.047 -12.313 186 HB2 CYS 25 2HB CYS 25 -4.103 -13.097 -12.113 187 HB3 CYS 25 3HB CYS 25 -3.113 -12.936 -13.560 188 H CYS 26 H CYS 26 -2.655 -10.613 -13.768 189 HA CYS 26 HA CYS 26 -3.508 -8.325 -12.185 190 HB2 CYS 26 2HB CYS 26 -1.925 -8.081 -14.113 191 HB3 CYS 26 3HB CYS 26 -3.239 -8.549 -15.188 192 H SER 27 H SER 27 -5.387 -9.933 -11.612 193 HA SER 27 HA SER 27 -7.496 -10.064 -13.576 194 HB2 SER 27 2HB SER 27 -6.875 -11.404 -11.152 195 HB3 SER 27 3HB SER 27 -8.446 -10.634 -10.932 196 HG SER 27 HG SER 27 -8.952 -12.508 -11.884 Start of MODEL 13 1 H1 LYS 1 H LYS 1 -3.045 -1.278 -0.689 2 HA LYS 1 HA LYS 1 -3.648 -1.875 -3.082 3 HB2 LYS 1 2HB LYS 1 -5.026 0.612 -2.658 4 HB3 LYS 1 3HB LYS 1 -3.913 0.781 -4.009 5 HG2 LYS 1 2HG LYS 1 -5.031 -1.572 -4.643 6 HG3 LYS 1 3HG LYS 1 -6.368 -0.831 -3.761 7 HD2 LYS 1 2HD LYS 1 -6.659 -0.232 -6.033 8 HD3 LYS 1 3HD LYS 1 -6.037 1.206 -5.220 9 HE2 LYS 1 2HE LYS 1 -3.875 0.895 -6.119 10 HE3 LYS 1 3HE LYS 1 -4.245 -0.748 -6.640 11 HZ1 LYS 1 1HZ LYS 1 -5.149 1.803 -7.821 12 HZ2 LYS 1 2HZ LYS 1 -5.984 0.362 -8.117 13 HZ3 LYS 1 3HZ LYS 1 -4.361 0.509 -8.574 14 H LYS 2 H LYS 2 -1.682 -2.251 -3.839 15 HA LYS 2 HA LYS 2 0.363 -0.148 -3.575 16 HB2 LYS 2 2HB LYS 2 0.461 -3.116 -3.393 17 HB3 LYS 2 3HB LYS 2 1.852 -2.305 -4.100 18 HG2 LYS 2 2HG LYS 2 2.190 -1.018 -2.103 19 HG3 LYS 2 3HG LYS 2 0.697 -1.645 -1.399 20 HD2 LYS 2 2HD LYS 2 2.390 -3.817 -2.217 21 HD3 LYS 2 3HD LYS 2 3.287 -2.711 -1.173 22 HE2 LYS 2 2HE LYS 2 1.775 -2.981 0.597 23 HE3 LYS 2 3HE LYS 2 0.536 -3.672 -0.450 24 HZ1 LYS 2 1HZ LYS 2 1.423 -5.468 0.724 25 HZ2 LYS 2 2HZ LYS 2 3.019 -4.944 0.531 26 HZ3 LYS 2 3HZ LYS 2 2.167 -5.562 -0.793 27 H LYS 3 H LYS 3 1.413 0.591 -5.344 28 HA LYS 3 HA LYS 3 0.298 0.426 -7.865 29 HB2 LYS 3 2HB LYS 3 2.877 1.361 -6.763 30 HB3 LYS 3 3HB LYS 3 2.868 1.013 -8.487 31 HG2 LYS 3 2HG LYS 3 1.119 2.593 -8.868 32 HG3 LYS 3 3HG LYS 3 0.888 2.830 -7.134 33 HD2 LYS 3 2HD LYS 3 3.531 3.388 -8.440 34 HD3 LYS 3 3HD LYS 3 2.238 4.591 -8.442 35 HE2 LYS 3 2HE LYS 3 2.484 5.040 -6.248 36 HE3 LYS 3 3HE LYS 3 2.786 3.354 -5.833 37 HZ1 LYS 3 1HZ LYS 3 5.026 3.865 -7.088 38 HZ2 LYS 3 2HZ LYS 3 4.832 4.219 -5.445 39 HZ3 LYS 3 3HZ LYS 3 4.677 5.447 -6.599 40 H SER 4 H SER 4 3.056 -1.399 -6.568 41 HA SER 4 HA SER 4 4.066 -3.323 -7.240 42 HB2 SER 4 2HB SER 4 1.647 -4.041 -8.865 43 HB3 SER 4 3HB SER 4 2.685 -5.084 -7.893 44 HG SER 4 HG SER 4 0.831 -4.812 -6.737 45 H GLY 5 H GLY 5 4.177 -4.791 -9.487 46 HA2 GLY 5 2HA GLY 5 4.049 -3.955 -11.991 47 HA3 GLY 5 3HA GLY 5 5.304 -2.881 -11.390 48 H VAL 6 H VAL 6 4.538 -6.358 -11.128 49 HA VAL 6 HA VAL 6 7.358 -7.012 -11.241 50 HB VAL 6 HB VAL 6 4.931 -8.805 -11.072 51 HG11 VAL 6 1HG1 VAL 6 6.367 -10.384 -11.759 52 HG12 VAL 6 2HG1 VAL 6 7.778 -9.366 -11.467 53 HG13 VAL 6 3HG1 VAL 6 7.040 -10.257 -10.135 54 HG21 VAL 6 1HG2 VAL 6 5.486 -7.237 -9.132 55 HG22 VAL 6 2HG2 VAL 6 5.314 -8.953 -8.762 56 HG23 VAL 6 3HG2 VAL 6 6.920 -8.236 -8.894 57 H ILE 7 H ILE 7 4.716 -8.666 -12.926 58 HA ILE 7 HA ILE 7 6.015 -8.159 -15.496 59 HB ILE 7 HB ILE 7 5.341 -10.937 -14.520 60 HG12 ILE 7 2HG1 ILE 7 7.425 -9.981 -13.559 61 HG13 ILE 7 3HG1 ILE 7 7.727 -11.364 -14.606 62 HG21 ILE 7 1HG2 ILE 7 4.866 -10.639 -16.894 63 HG22 ILE 7 2HG2 ILE 7 6.495 -10.016 -17.149 64 HG23 ILE 7 3HG2 ILE 7 6.260 -11.692 -16.655 65 HD11 ILE 7 1HD1 ILE 7 7.826 -8.870 -16.063 66 HD12 ILE 7 2HD1 ILE 7 8.969 -8.906 -14.720 67 HD13 ILE 7 3HD1 ILE 7 9.016 -10.167 -15.952 68 HA PRO 8 HA PRO 8 1.580 -7.589 -16.131 69 HB2 PRO 8 2HB PRO 8 1.875 -6.174 -18.429 70 HB3 PRO 8 3HB PRO 8 2.061 -5.452 -16.826 71 HG2 PRO 8 2HG PRO 8 4.165 -6.405 -18.730 72 HG3 PRO 8 3HG PRO 8 4.130 -4.929 -17.749 73 HD2 PRO 8 2HD PRO 8 5.550 -7.120 -17.033 74 HD3 PRO 8 3HD PRO 8 4.813 -6.029 -15.842 75 H DBB 9 H DBB 9 1.297 -9.857 -16.553 76 HA DBB 9 HA DBB 9 1.702 -10.725 -19.359 77 HB2 DBB 9 3HB DBB 9 -0.878 -11.455 -18.018 78 HG1 DBB 9 1HG DBB 9 -0.235 -8.706 -19.165 79 HG2 DBB 9 2HG DBB 9 -1.892 -9.321 -18.953 80 HG3 DBB 9 3HG DBB 9 -0.843 -9.083 -17.535 81 H VAL 10 H VAL 10 0.784 -11.557 -16.037 82 HA VAL 10 HA VAL 10 1.849 -14.266 -16.495 83 HB VAL 10 HB VAL 10 2.729 -14.222 -14.168 84 HG11 VAL 10 1HG1 VAL 10 4.692 -12.808 -14.673 85 HG12 VAL 10 2HG1 VAL 10 4.239 -13.857 -16.018 86 HG13 VAL 10 3HG1 VAL 10 3.825 -12.143 -16.057 87 HG21 VAL 10 1HG2 VAL 10 1.848 -11.355 -14.341 88 HG22 VAL 10 2HG2 VAL 10 1.471 -12.549 -13.098 89 HG23 VAL 10 3HG2 VAL 10 3.101 -11.886 -13.219 90 H DAL 11 H DAL 11 -0.674 -12.317 -15.343 91 HA DAL 11 HA DAL 11 -2.701 -12.763 -14.310 92 HB1 DAL 11 2HB DAL 11 -2.474 -14.794 -12.580 93 HB2 DAL 11 3HB DAL 11 -0.737 -14.508 -12.842 94 H HIS 12 H HIS 12 -4.446 -14.299 -14.337 95 HA HIS 12 HA HIS 12 -3.978 -16.734 -15.892 96 HB2 HIS 12 2HB HIS 12 -5.684 -16.089 -13.719 97 HB3 HIS 12 3HB HIS 12 -6.716 -16.439 -15.103 98 HD1 HIS 12 HD1 HIS 12 -6.527 -18.850 -16.131 99 HD2 HIS 12 HD2 HIS 12 -4.422 -18.276 -12.596 100 HE1 HIS 12 HE1 HIS 12 -5.951 -21.156 -15.309 101 H ASP 13 H ASP 13 -5.422 -13.598 -16.103 102 HA ASP 13 HA ASP 13 -6.405 -14.261 -18.801 103 HB2 ASP 13 2HB ASP 13 -7.992 -12.245 -18.350 104 HB3 ASP 13 3HB ASP 13 -8.385 -13.818 -17.663 105 H CYS 14 H CYS 14 -3.920 -13.617 -18.899 106 HA CYS 14 HA CYS 14 -2.935 -11.098 -18.675 107 HB2 CYS 14 2HB CYS 14 -1.748 -13.152 -19.569 108 HB3 CYS 14 3HB CYS 14 -2.464 -12.784 -21.135 109 H HIS 15 H HIS 15 -3.806 -9.217 -19.222 110 HA HIS 15 HA HIS 15 -4.914 -8.918 -21.927 111 HB2 HIS 15 2HB HIS 15 -6.355 -8.704 -19.443 112 HB3 HIS 15 3HB HIS 15 -6.342 -7.145 -20.262 113 HD1 HIS 15 HD1 HIS 15 -8.436 -6.901 -21.536 114 HD2 HIS 15 HD2 HIS 15 -6.985 -10.791 -21.699 115 HE1 HIS 15 HE1 HIS 15 -10.031 -8.152 -23.024 116 H MET 16 H MET 16 -4.490 -6.777 -19.110 117 HA MET 16 HA MET 16 -2.214 -5.440 -19.994 118 HB2 MET 16 2HB MET 16 -4.416 -4.797 -21.588 119 HB3 MET 16 3HB MET 16 -4.250 -3.436 -20.487 120 HG2 MET 16 2HG MET 16 -2.075 -2.962 -21.228 121 HG3 MET 16 3HG MET 16 -1.924 -4.521 -22.035 122 HE1 MET 16 1HE MET 16 -0.850 -2.673 -23.657 123 HE2 MET 16 2HE MET 16 -1.794 -1.869 -24.911 124 HE3 MET 16 3HE MET 16 -1.663 -1.148 -23.306 125 H ASN 17 H ASN 17 -2.608 -2.864 -19.162 126 HA ASN 17 HA ASN 17 -2.786 -1.541 -17.319 127 HB2 ASN 17 2HB ASN 17 -5.214 -2.592 -17.484 128 HB3 ASN 17 3HB ASN 17 -4.716 -3.400 -16.000 129 HD21 ASN 17 1HD2 ASN 17 -5.491 -0.375 -17.499 130 HD22 ASN 17 2HD2 ASN 17 -5.591 0.555 -16.047 131 H DAL 18 H DAL 18 -0.588 -2.859 -17.212 132 HA DAL 18 HA DAL 18 1.030 -3.923 -15.920 133 HB1 DAL 18 2HB DAL 18 0.405 -5.755 -14.655 134 HB2 DAL 18 3HB DAL 18 -0.989 -4.915 -13.937 135 H PHE 19 H PHE 19 -1.581 -3.103 -13.629 136 HA PHE 19 HA PHE 19 0.348 -1.662 -11.991 137 HB2 PHE 19 2HB PHE 19 -2.203 -0.307 -12.875 138 HB3 PHE 19 3HB PHE 19 -0.883 0.392 -11.941 139 HD1 PHE 19 HD1 PHE 19 -1.854 -0.856 -15.275 140 HD2 PHE 19 HD2 PHE 19 1.004 1.331 -13.002 141 HE1 PHE 19 HE1 PHE 19 -0.813 -0.059 -17.357 142 HE2 PHE 19 HE2 PHE 19 2.049 2.131 -15.080 143 HZ PHE 19 HZ PHE 19 1.141 1.437 -17.261 144 H GLN 20 H GLN 20 -0.808 -4.060 -11.391 145 HA GLN 20 HA GLN 20 -1.909 -3.632 -8.868 146 HB2 GLN 20 2HB GLN 20 -3.823 -3.167 -10.801 147 HB3 GLN 20 3HB GLN 20 -4.130 -4.836 -10.339 148 HG2 GLN 20 2HG GLN 20 -3.724 -2.985 -8.099 149 HG3 GLN 20 3HG GLN 20 -5.156 -2.677 -9.080 150 HE21 GLN 20 1HE2 GLN 20 -6.336 -4.823 -9.652 151 HE22 GLN 20 2HE2 GLN 20 -6.629 -5.868 -8.307 152 H PHE 21 H PHE 21 -1.160 -5.350 -7.837 153 HA PHE 21 HA PHE 21 -1.411 -7.987 -9.123 154 HB2 PHE 21 2HB PHE 21 0.961 -6.781 -7.721 155 HB3 PHE 21 3HB PHE 21 0.755 -8.527 -7.809 156 HD1 PHE 21 HD1 PHE 21 1.866 -9.594 -9.498 157 HD2 PHE 21 HD2 PHE 21 0.559 -5.589 -10.106 158 HE1 PHE 21 HE1 PHE 21 2.891 -9.603 -11.735 159 HE2 PHE 21 HE2 PHE 21 1.581 -5.592 -12.344 160 HZ PHE 21 HZ PHE 21 2.748 -7.601 -13.162 161 H VAL 22 H VAL 22 -3.157 -8.695 -7.979 162 HA VAL 22 HA VAL 22 -3.354 -8.356 -5.129 163 HB VAL 22 HB VAL 22 -5.366 -9.806 -5.329 164 HG11 VAL 22 1HG1 VAL 22 -6.612 -8.208 -6.892 165 HG12 VAL 22 2HG1 VAL 22 -5.798 -7.511 -5.490 166 HG13 VAL 22 3HG1 VAL 22 -5.061 -7.393 -7.088 167 HG21 VAL 22 1HG2 VAL 22 -4.138 -10.626 -7.705 168 HG22 VAL 22 2HG2 VAL 22 -5.724 -11.105 -7.099 169 HG23 VAL 22 3HG2 VAL 22 -5.577 -9.733 -8.198 170 H PHE 23 H PHE 23 -1.832 -10.576 -7.194 171 HA PHE 23 HA PHE 23 -0.746 -12.089 -5.087 172 HB2 PHE 23 2HB PHE 23 -3.132 -12.973 -5.142 173 HB3 PHE 23 3HB PHE 23 -2.742 -13.659 -6.716 174 HD1 PHE 23 HD1 PHE 23 -0.772 -13.456 -3.561 175 HD2 PHE 23 HD2 PHE 23 -2.626 -15.945 -6.475 176 HE1 PHE 23 HE1 PHE 23 0.169 -15.444 -2.457 177 HE2 PHE 23 HE2 PHE 23 -1.689 -17.936 -5.375 178 HZ PHE 23 HZ PHE 23 -0.291 -17.688 -3.363 179 H DBU 24 H DBU 24 0.023 -10.723 -7.523 180 HB DBU 24 HB DBU 24 2.977 -12.489 -9.570 181 HG1 DBU 24 1HG DBU 24 2.392 -12.869 -6.568 182 HG2 DBU 24 2HG DBU 24 3.755 -11.889 -7.126 183 HG3 DBU 24 3HG DBU 24 3.661 -13.607 -7.553 184 H CYS 25 H CYS 25 -1.266 -11.694 -9.588 185 HA CYS 25 HA CYS 25 -0.667 -11.798 -12.406 186 HB2 CYS 25 2HB CYS 25 -3.324 -11.192 -11.100 187 HB3 CYS 25 3HB CYS 25 -3.048 -11.769 -12.741 188 H CYS 26 H CYS 26 -1.894 -10.140 -13.834 189 HA CYS 26 HA CYS 26 -1.098 -7.469 -12.904 190 HB2 CYS 26 2HB CYS 26 0.067 -7.921 -14.886 191 HB3 CYS 26 3HB CYS 26 -1.317 -8.717 -15.628 192 H SER 27 H SER 27 -2.514 -5.796 -12.839 193 HA SER 27 HA SER 27 -5.079 -5.887 -14.115 194 HB2 SER 27 2HB SER 27 -4.809 -6.803 -11.351 195 HB3 SER 27 3HB SER 27 -5.970 -5.487 -11.526 196 HG SER 27 HG SER 27 -7.208 -7.146 -12.032 Start of MODEL 14 1 H1 LYS 1 H LYS 1 2.787 0.329 1.160 2 HA LYS 1 HA LYS 1 3.485 1.005 -1.543 3 HB2 LYS 1 2HB LYS 1 4.642 -0.656 0.117 4 HB3 LYS 1 3HB LYS 1 3.461 -1.804 -0.499 5 HG2 LYS 1 2HG LYS 1 4.302 -1.121 -2.823 6 HG3 LYS 1 3HG LYS 1 5.676 -0.422 -1.964 7 HD2 LYS 1 2HD LYS 1 4.866 -3.224 -1.348 8 HD3 LYS 1 3HD LYS 1 5.745 -2.900 -2.844 9 HE2 LYS 1 2HE LYS 1 7.602 -2.022 -1.672 10 HE3 LYS 1 3HE LYS 1 6.697 -1.928 -0.162 11 HZ1 LYS 1 1HZ LYS 1 6.547 -4.407 -0.263 12 HZ2 LYS 1 2HZ LYS 1 8.107 -3.801 -0.015 13 HZ3 LYS 1 3HZ LYS 1 7.653 -4.370 -1.542 14 H LYS 2 H LYS 2 0.975 1.549 -1.675 15 HA LYS 2 HA LYS 2 -0.745 -0.670 -2.232 16 HB2 LYS 2 2HB LYS 2 -1.115 2.019 -1.701 17 HB3 LYS 2 3HB LYS 2 -1.547 1.885 -3.400 18 HG2 LYS 2 2HG LYS 2 -3.488 0.933 -2.911 19 HG3 LYS 2 3HG LYS 2 -2.715 -0.257 -1.861 20 HD2 LYS 2 2HD LYS 2 -3.895 0.799 -0.251 21 HD3 LYS 2 3HD LYS 2 -2.545 1.936 -0.301 22 HE2 LYS 2 2HE LYS 2 -3.986 3.056 -2.193 23 HE3 LYS 2 3HE LYS 2 -5.307 2.206 -1.392 24 HZ1 LYS 2 1HZ LYS 2 -5.304 3.675 0.254 25 HZ2 LYS 2 2HZ LYS 2 -4.261 4.630 -0.673 26 HZ3 LYS 2 3HZ LYS 2 -3.631 3.559 0.476 27 H LYS 3 H LYS 3 0.749 1.837 -4.278 28 HA LYS 3 HA LYS 3 -0.108 0.948 -6.747 29 HB2 LYS 3 2HB LYS 3 1.957 2.703 -5.743 30 HB3 LYS 3 3HB LYS 3 2.535 1.811 -7.144 31 HG2 LYS 3 2HG LYS 3 0.787 2.651 -8.509 32 HG3 LYS 3 3HG LYS 3 -0.062 3.325 -7.116 33 HD2 LYS 3 2HD LYS 3 1.811 4.876 -6.747 34 HD3 LYS 3 3HD LYS 3 2.625 4.216 -8.168 35 HE2 LYS 3 2HE LYS 3 1.122 5.171 -9.634 36 HE3 LYS 3 3HE LYS 3 -0.157 5.266 -8.425 37 HZ1 LYS 3 1HZ LYS 3 1.770 7.216 -9.139 38 HZ2 LYS 3 2HZ LYS 3 1.894 6.858 -7.490 39 HZ3 LYS 3 3HZ LYS 3 0.417 7.372 -8.135 40 H SER 4 H SER 4 0.726 -0.434 -8.319 41 HA SER 4 HA SER 4 2.991 -2.130 -7.675 42 HB2 SER 4 2HB SER 4 1.592 -4.208 -8.150 43 HB3 SER 4 3HB SER 4 1.321 -3.429 -6.591 44 HG SER 4 HG SER 4 -0.345 -3.608 -8.812 45 H GLY 5 H GLY 5 3.922 -3.100 -9.469 46 HA2 GLY 5 2HA GLY 5 2.617 -3.101 -12.031 47 HA3 GLY 5 3HA GLY 5 3.841 -1.848 -11.891 48 H VAL 6 H VAL 6 3.665 -5.237 -10.799 49 HA VAL 6 HA VAL 6 6.332 -5.858 -11.084 50 HB VAL 6 HB VAL 6 3.947 -7.664 -11.493 51 HG11 VAL 6 1HG1 VAL 6 5.683 -8.846 -12.501 52 HG12 VAL 6 2HG1 VAL 6 6.882 -8.257 -11.348 53 HG13 VAL 6 3HG1 VAL 6 5.683 -9.449 -10.844 54 HG21 VAL 6 1HG2 VAL 6 3.981 -6.708 -9.292 55 HG22 VAL 6 2HG2 VAL 6 4.502 -8.389 -9.177 56 HG23 VAL 6 3HG2 VAL 6 5.693 -7.090 -9.103 57 H ILE 7 H ILE 7 4.052 -7.329 -13.351 58 HA ILE 7 HA ILE 7 5.595 -6.335 -15.620 59 HB ILE 7 HB ILE 7 5.156 -9.280 -15.111 60 HG12 ILE 7 2HG1 ILE 7 7.031 -8.245 -13.846 61 HG13 ILE 7 3HG1 ILE 7 7.573 -9.437 -15.023 62 HG21 ILE 7 1HG2 ILE 7 6.384 -9.600 -17.229 63 HG22 ILE 7 2HG2 ILE 7 4.838 -8.783 -17.451 64 HG23 ILE 7 3HG2 ILE 7 6.338 -7.857 -17.491 65 HD11 ILE 7 1HD1 ILE 7 8.830 -7.942 -16.066 66 HD12 ILE 7 2HD1 ILE 7 7.501 -6.785 -16.159 67 HD13 ILE 7 3HD1 ILE 7 8.511 -6.855 -14.715 68 HA PRO 8 HA PRO 8 1.351 -6.029 -16.980 69 HB2 PRO 8 2HB PRO 8 1.919 -4.757 -19.310 70 HB3 PRO 8 3HB PRO 8 1.903 -3.934 -17.746 71 HG2 PRO 8 2HG PRO 8 4.230 -4.978 -19.313 72 HG3 PRO 8 3HG PRO 8 4.068 -3.443 -18.440 73 HD2 PRO 8 2HD PRO 8 5.400 -5.567 -17.417 74 HD3 PRO 8 3HD PRO 8 4.517 -4.413 -16.398 75 H DBB 9 H DBB 9 1.446 -8.436 -17.214 76 HA DBB 9 HA DBB 9 1.968 -9.349 -19.987 77 HB2 DBB 9 3HB DBB 9 -0.360 -8.969 -20.128 78 HG1 DBB 9 1HG DBB 9 -1.277 -11.128 -20.369 79 HG2 DBB 9 2HG DBB 9 0.474 -11.435 -20.456 80 HG3 DBB 9 3HG DBB 9 -0.411 -11.756 -18.946 81 H VAL 10 H VAL 10 0.842 -10.357 -16.753 82 HA VAL 10 HA VAL 10 2.261 -12.895 -17.084 83 HB VAL 10 HB VAL 10 3.240 -12.665 -14.794 84 HG11 VAL 10 1HG1 VAL 10 4.145 -10.657 -16.856 85 HG12 VAL 10 2HG1 VAL 10 5.113 -11.237 -15.499 86 HG13 VAL 10 3HG1 VAL 10 4.616 -12.354 -16.771 87 HG21 VAL 10 1HG2 VAL 10 1.941 -10.018 -15.037 88 HG22 VAL 10 2HG2 VAL 10 2.223 -11.017 -13.611 89 HG23 VAL 10 3HG2 VAL 10 3.537 -10.056 -14.287 90 H DAL 11 H DAL 11 0.395 -14.079 -17.029 91 HA DAL 11 HA DAL 11 -1.727 -13.650 -15.123 92 HB1 DAL 11 2HB DAL 11 -1.374 -15.655 -13.764 93 HB2 DAL 11 3HB DAL 11 0.091 -16.062 -14.689 94 H HIS 12 H HIS 12 -3.487 -14.405 -16.081 95 HA HIS 12 HA HIS 12 -3.188 -16.326 -18.269 96 HB2 HIS 12 2HB HIS 12 -5.261 -17.515 -17.440 97 HB3 HIS 12 3HB HIS 12 -3.811 -17.764 -16.471 98 HD1 HIS 12 HD1 HIS 12 -3.708 -16.400 -14.181 99 HD2 HIS 12 HD2 HIS 12 -7.396 -16.452 -16.092 100 HE1 HIS 12 HE1 HIS 12 -5.375 -15.670 -12.445 101 H ASP 13 H ASP 13 -5.282 -14.061 -16.543 102 HA ASP 13 HA ASP 13 -6.769 -13.600 -19.039 103 HB2 ASP 13 2HB ASP 13 -7.616 -13.904 -16.335 104 HB3 ASP 13 3HB ASP 13 -7.982 -12.256 -16.837 105 H CYS 14 H CYS 14 -4.102 -12.488 -18.104 106 HA CYS 14 HA CYS 14 -4.610 -9.677 -17.703 107 HB2 CYS 14 2HB CYS 14 -2.668 -10.436 -16.619 108 HB3 CYS 14 3HB CYS 14 -2.127 -11.342 -18.029 109 H HIS 15 H HIS 15 -4.834 -8.176 -19.226 110 HA HIS 15 HA HIS 15 -4.193 -8.914 -22.003 111 HB2 HIS 15 2HB HIS 15 -6.339 -7.199 -20.801 112 HB3 HIS 15 3HB HIS 15 -5.816 -6.911 -22.458 113 HD1 HIS 15 HD1 HIS 15 -6.051 -10.383 -21.055 114 HD2 HIS 15 HD2 HIS 15 -8.179 -7.858 -23.576 115 HE1 HIS 15 HE1 HIS 15 -7.793 -11.832 -22.144 116 H MET 16 H MET 16 -2.014 -8.146 -20.741 117 HA MET 16 HA MET 16 -0.324 -6.621 -20.614 118 HB2 MET 16 2HB MET 16 -0.539 -6.857 -23.059 119 HB3 MET 16 3HB MET 16 -1.694 -5.532 -23.080 120 HG2 MET 16 2HG MET 16 -0.050 -3.956 -22.483 121 HG3 MET 16 3HG MET 16 1.100 -5.214 -22.037 122 HE1 MET 16 1HE MET 16 2.964 -3.681 -24.917 123 HE2 MET 16 2HE MET 16 1.594 -2.617 -24.598 124 HE3 MET 16 3HE MET 16 2.436 -3.397 -23.258 125 H ASN 17 H ASN 17 -0.954 -5.628 -18.673 126 HA ASN 17 HA ASN 17 -1.425 -2.829 -18.865 127 HB2 ASN 17 2HB ASN 17 -3.708 -4.625 -18.261 128 HB3 ASN 17 3HB ASN 17 -3.541 -3.202 -17.237 129 HD21 ASN 17 1HD2 ASN 17 -4.851 -4.375 -20.029 130 HD22 ASN 17 2HD2 ASN 17 -5.150 -2.883 -20.848 131 H DAL 18 H DAL 18 -2.424 -5.134 -16.352 132 HA DAL 18 HA DAL 18 -0.053 -4.531 -14.727 133 HB1 DAL 18 2HB DAL 18 -0.451 -6.662 -14.085 134 HB2 DAL 18 3HB DAL 18 -1.902 -6.076 -13.238 135 H PHE 19 H PHE 19 -3.522 -4.733 -13.927 136 HA PHE 19 HA PHE 19 -3.521 -2.042 -12.874 137 HB2 PHE 19 2HB PHE 19 -5.712 -4.115 -12.679 138 HB3 PHE 19 3HB PHE 19 -5.874 -2.372 -12.489 139 HD1 PHE 19 HD1 PHE 19 -5.725 -0.892 -14.439 140 HD2 PHE 19 HD2 PHE 19 -5.639 -5.129 -14.834 141 HE1 PHE 19 HE1 PHE 19 -6.223 -0.675 -16.839 142 HE2 PHE 19 HE2 PHE 19 -6.136 -4.919 -17.234 143 HZ PHE 19 HZ PHE 19 -6.428 -2.690 -18.240 144 H GLN 20 H GLN 20 -3.367 -5.311 -11.649 145 HA GLN 20 HA GLN 20 -2.267 -4.581 -9.189 146 HB2 GLN 20 2HB GLN 20 -5.112 -4.309 -9.282 147 HB3 GLN 20 3HB GLN 20 -4.710 -5.642 -8.207 148 HG2 GLN 20 2HG GLN 20 -2.950 -3.497 -7.631 149 HG3 GLN 20 3HG GLN 20 -4.591 -2.857 -7.705 150 HE21 GLN 20 1HE2 GLN 20 -4.783 -2.490 -5.532 151 HE22 GLN 20 2HE2 GLN 20 -4.870 -3.758 -4.362 152 H PHE 21 H PHE 21 -1.193 -6.306 -8.486 153 HA PHE 21 HA PHE 21 -1.961 -8.936 -9.524 154 HB2 PHE 21 2HB PHE 21 0.615 -8.205 -8.128 155 HB3 PHE 21 3HB PHE 21 0.292 -9.629 -9.112 156 HD1 PHE 21 HD1 PHE 21 0.763 -9.622 -11.388 157 HD2 PHE 21 HD2 PHE 21 0.547 -5.930 -9.280 158 HE1 PHE 21 HE1 PHE 21 1.611 -8.442 -13.374 159 HE2 PHE 21 HE2 PHE 21 1.394 -4.745 -11.263 160 HZ PHE 21 HZ PHE 21 1.926 -6.001 -13.313 161 H VAL 22 H VAL 22 -2.983 -10.319 -8.251 162 HA VAL 22 HA VAL 22 -3.282 -9.803 -5.434 163 HB VAL 22 HB VAL 22 -4.269 -12.117 -7.108 164 HG11 VAL 22 1HG1 VAL 22 -4.970 -11.296 -4.292 165 HG12 VAL 22 2HG1 VAL 22 -5.799 -12.544 -5.225 166 HG13 VAL 22 3HG1 VAL 22 -4.106 -12.755 -4.776 167 HG21 VAL 22 1HG2 VAL 22 -5.858 -9.793 -6.049 168 HG22 VAL 22 2HG2 VAL 22 -5.121 -9.794 -7.652 169 HG23 VAL 22 3HG2 VAL 22 -6.346 -10.996 -7.243 170 H PHE 23 H PHE 23 -2.488 -12.882 -7.029 171 HA PHE 23 HA PHE 23 -0.630 -13.447 -4.825 172 HB2 PHE 23 2HB PHE 23 -1.788 -15.412 -6.808 173 HB3 PHE 23 3HB PHE 23 -0.927 -15.785 -5.319 174 HD1 PHE 23 HD1 PHE 23 -4.070 -15.576 -6.785 175 HD2 PHE 23 HD2 PHE 23 -2.032 -14.686 -3.156 176 HE1 PHE 23 HE1 PHE 23 -6.210 -15.638 -5.571 177 HE2 PHE 23 HE2 PHE 23 -4.168 -14.747 -1.937 178 HZ PHE 23 HZ PHE 23 -6.261 -15.224 -3.144 179 H DBU 24 H DBU 24 -0.199 -11.888 -7.418 180 HB DBU 24 HB DBU 24 3.542 -12.563 -8.849 181 HG1 DBU 24 1HG DBU 24 3.509 -14.069 -6.559 182 HG2 DBU 24 2HG DBU 24 2.703 -12.621 -5.940 183 HG3 DBU 24 3HG DBU 24 4.339 -12.508 -6.613 184 H CYS 25 H CYS 25 -0.346 -13.499 -9.773 185 HA CYS 25 HA CYS 25 0.629 -12.584 -12.308 186 HB2 CYS 25 2HB CYS 25 -1.922 -13.961 -11.463 187 HB3 CYS 25 3HB CYS 25 -1.586 -13.514 -13.132 188 H CYS 26 H CYS 26 -1.289 -11.636 -13.792 189 HA CYS 26 HA CYS 26 -2.188 -9.188 -12.421 190 HB2 CYS 26 2HB CYS 26 -0.551 -8.660 -14.108 191 HB3 CYS 26 3HB CYS 26 -1.396 -9.638 -15.303 192 H SER 27 H SER 27 -4.293 -8.642 -12.475 193 HA SER 27 HA SER 27 -6.098 -10.409 -13.991 194 HB2 SER 27 2HB SER 27 -6.350 -9.087 -11.309 195 HB3 SER 27 3HB SER 27 -7.800 -9.499 -12.223 196 HG SER 27 HG SER 27 -7.491 -11.356 -11.246 Start of MODEL 15 1 H1 LYS 1 H LYS 1 -2.085 1.334 0.867 2 HA LYS 1 HA LYS 1 -0.818 -0.845 0.250 3 HB2 LYS 1 2HB LYS 1 -1.453 -0.695 -2.053 4 HB3 LYS 1 3HB LYS 1 -2.670 0.155 -1.110 5 HG2 LYS 1 2HG LYS 1 -1.429 2.284 -1.661 6 HG3 LYS 1 3HG LYS 1 -0.498 1.331 -2.819 7 HD2 LYS 1 2HD LYS 1 -2.271 1.062 -4.232 8 HD3 LYS 1 3HD LYS 1 -3.459 1.125 -2.927 9 HE2 LYS 1 2HE LYS 1 -3.299 3.491 -2.785 10 HE3 LYS 1 3HE LYS 1 -1.877 3.524 -3.827 11 HZ1 LYS 1 1HZ LYS 1 -3.452 4.066 -5.339 12 HZ2 LYS 1 2HZ LYS 1 -4.695 3.247 -4.535 13 HZ3 LYS 1 3HZ LYS 1 -3.581 2.384 -5.471 14 H LYS 2 H LYS 2 0.979 -1.641 -0.838 15 HA LYS 2 HA LYS 2 3.193 0.270 -1.083 16 HB2 LYS 2 2HB LYS 2 3.100 -2.709 -0.646 17 HB3 LYS 2 3HB LYS 2 4.582 -1.884 -1.111 18 HG2 LYS 2 2HG LYS 2 3.969 -0.362 0.956 19 HG3 LYS 2 3HG LYS 2 3.088 -1.809 1.452 20 HD2 LYS 2 2HD LYS 2 5.002 -2.644 2.218 21 HD3 LYS 2 3HD LYS 2 5.596 -2.697 0.556 22 HE2 LYS 2 2HE LYS 2 6.178 -0.207 0.937 23 HE3 LYS 2 3HE LYS 2 6.013 -0.593 2.649 24 HZ1 LYS 2 1HZ LYS 2 8.022 -1.488 2.637 25 HZ2 LYS 2 2HZ LYS 2 8.223 -1.013 1.026 26 HZ3 LYS 2 3HZ LYS 2 7.606 -2.546 1.384 27 H LYS 3 H LYS 3 1.404 -2.190 -2.834 28 HA LYS 3 HA LYS 3 1.275 -2.711 -5.044 29 HB2 LYS 3 2HB LYS 3 1.814 0.104 -4.932 30 HB3 LYS 3 3HB LYS 3 2.653 -0.586 -6.315 31 HG2 LYS 3 2HG LYS 3 0.243 -1.749 -6.601 32 HG3 LYS 3 3HG LYS 3 -0.227 -0.234 -5.826 33 HD2 LYS 3 2HD LYS 3 1.734 0.020 -8.007 34 HD3 LYS 3 3HD LYS 3 0.131 -0.535 -8.493 35 HE2 LYS 3 2HE LYS 3 -0.039 1.777 -8.652 36 HE3 LYS 3 3HE LYS 3 -0.736 1.433 -7.070 37 HZ1 LYS 3 1HZ LYS 3 0.678 3.013 -6.394 38 HZ2 LYS 3 2HZ LYS 3 1.680 2.868 -7.748 39 HZ3 LYS 3 3HZ LYS 3 1.845 1.790 -6.456 40 H SER 4 H SER 4 2.738 -2.835 -7.138 41 HA SER 4 HA SER 4 5.555 -3.049 -6.700 42 HB2 SER 4 2HB SER 4 5.224 -5.664 -7.395 43 HB3 SER 4 3HB SER 4 5.481 -5.103 -5.743 44 HG SER 4 HG SER 4 3.632 -6.043 -5.393 45 H GLY 5 H GLY 5 6.589 -4.265 -8.641 46 HA2 GLY 5 2HA GLY 5 4.968 -3.859 -11.066 47 HA3 GLY 5 3HA GLY 5 6.549 -3.103 -10.934 48 H VAL 6 H VAL 6 5.353 -6.354 -10.105 49 HA VAL 6 HA VAL 6 7.651 -7.733 -10.803 50 HB VAL 6 HB VAL 6 4.786 -8.684 -10.900 51 HG11 VAL 6 1HG1 VAL 6 6.472 -10.850 -10.406 52 HG12 VAL 6 2HG1 VAL 6 5.550 -10.531 -11.876 53 HG13 VAL 6 3HG1 VAL 6 7.221 -9.979 -11.744 54 HG21 VAL 6 1HG2 VAL 6 6.891 -9.133 -8.790 55 HG22 VAL 6 2HG2 VAL 6 5.664 -7.869 -8.706 56 HG23 VAL 6 3HG2 VAL 6 5.183 -9.565 -8.711 57 H ILE 7 H ILE 7 4.759 -8.341 -12.722 58 HA ILE 7 HA ILE 7 6.152 -7.593 -15.175 59 HB ILE 7 HB ILE 7 5.054 -10.367 -14.705 60 HG12 ILE 7 2HG1 ILE 7 7.304 -9.927 -13.742 61 HG13 ILE 7 3HG1 ILE 7 7.335 -11.121 -15.035 62 HG21 ILE 7 1HG2 ILE 7 4.494 -9.772 -16.925 63 HG22 ILE 7 2HG2 ILE 7 6.063 -9.014 -17.193 64 HG23 ILE 7 3HG2 ILE 7 5.946 -10.766 -17.032 65 HD11 ILE 7 1HD1 ILE 7 8.923 -8.860 -14.798 66 HD12 ILE 7 2HD1 ILE 7 8.767 -9.910 -16.208 67 HD13 ILE 7 3HD1 ILE 7 7.763 -8.467 -16.066 68 HA PRO 8 HA PRO 8 1.938 -6.151 -15.713 69 HB2 PRO 8 2HB PRO 8 2.475 -4.679 -17.930 70 HB3 PRO 8 3HB PRO 8 2.850 -4.124 -16.294 71 HG2 PRO 8 2HG PRO 8 4.654 -5.371 -18.331 72 HG3 PRO 8 3HG PRO 8 4.960 -3.990 -17.261 73 HD2 PRO 8 2HD PRO 8 5.894 -6.477 -16.735 74 HD3 PRO 8 3HD PRO 8 5.437 -5.337 -15.453 75 H DBB 9 H DBB 9 1.521 -8.497 -16.258 76 HA DBB 9 HA DBB 9 1.306 -8.942 -19.191 77 HB2 DBB 9 3HB DBB 9 -0.846 -9.686 -17.171 78 HG1 DBB 9 1HG DBB 9 -0.643 -7.244 -18.988 79 HG2 DBB 9 2HG DBB 9 -2.102 -7.729 -18.093 80 HG3 DBB 9 3HG DBB 9 -0.638 -7.239 -17.208 81 H VAL 10 H VAL 10 0.353 -10.704 -16.245 82 HA VAL 10 HA VAL 10 2.045 -12.938 -17.158 83 HB VAL 10 HB VAL 10 1.987 -13.444 -14.542 84 HG11 VAL 10 1HG1 VAL 10 4.046 -13.380 -15.651 85 HG12 VAL 10 2HG1 VAL 10 3.859 -11.681 -16.089 86 HG13 VAL 10 3HG1 VAL 10 4.180 -12.131 -14.414 87 HG21 VAL 10 1HG2 VAL 10 0.666 -11.167 -14.387 88 HG22 VAL 10 2HG2 VAL 10 1.825 -11.638 -13.144 89 HG23 VAL 10 3HG2 VAL 10 2.293 -10.488 -14.397 90 H DAL 11 H DAL 11 0.104 -13.067 -14.280 91 HA DAL 11 HA DAL 11 -2.393 -13.875 -15.016 92 HB1 DAL 11 2HB DAL 11 -1.116 -13.904 -12.672 93 HB2 DAL 11 3HB DAL 11 -2.560 -14.909 -12.938 94 H HIS 12 H HIS 12 -3.374 -15.793 -15.667 95 HA HIS 12 HA HIS 12 -1.621 -17.964 -16.563 96 HB2 HIS 12 2HB HIS 12 -3.701 -19.282 -16.766 97 HB3 HIS 12 3HB HIS 12 -3.481 -18.637 -15.142 98 HD1 HIS 12 HD1 HIS 12 -5.651 -18.328 -18.172 99 HD2 HIS 12 HD2 HIS 12 -5.388 -16.759 -14.334 100 HE1 HIS 12 HE1 HIS 12 -7.826 -17.125 -17.787 101 H ASP 13 H ASP 13 -3.891 -15.569 -17.722 102 HA ASP 13 HA ASP 13 -3.276 -16.400 -20.483 103 HB2 ASP 13 2HB ASP 13 -5.836 -15.859 -19.183 104 HB3 ASP 13 3HB ASP 13 -5.610 -14.926 -20.660 105 H CYS 14 H CYS 14 -4.453 -13.580 -18.638 106 HA CYS 14 HA CYS 14 -3.910 -11.373 -18.727 107 HB2 CYS 14 2HB CYS 14 -1.619 -12.148 -18.339 108 HB3 CYS 14 3HB CYS 14 -1.399 -12.397 -20.068 109 H HIS 15 H HIS 15 -4.145 -9.598 -20.090 110 HA HIS 15 HA HIS 15 -4.363 -10.176 -22.965 111 HB2 HIS 15 2HB HIS 15 -6.481 -9.399 -21.136 112 HB3 HIS 15 3HB HIS 15 -6.306 -8.241 -22.451 113 HD1 HIS 15 HD1 HIS 15 -8.407 -10.822 -21.756 114 HD2 HIS 15 HD2 HIS 15 -5.871 -10.157 -24.978 115 HE1 HIS 15 HE1 HIS 15 -9.326 -12.220 -23.634 116 H MET 16 H MET 16 -4.201 -7.641 -20.483 117 HA MET 16 HA MET 16 -2.108 -6.260 -21.775 118 HB2 MET 16 2HB MET 16 -4.567 -5.736 -22.935 119 HB3 MET 16 3HB MET 16 -4.346 -4.390 -21.825 120 HG2 MET 16 2HG MET 16 -2.155 -3.937 -22.847 121 HG3 MET 16 3HG MET 16 -2.444 -5.244 -23.994 122 HE1 MET 16 1HE MET 16 -2.467 -1.503 -25.223 123 HE2 MET 16 2HE MET 16 -3.402 -1.090 -23.786 124 HE3 MET 16 3HE MET 16 -1.947 -2.077 -23.639 125 H ASN 17 H ASN 17 -2.358 -3.728 -20.855 126 HA ASN 17 HA ASN 17 -2.175 -2.418 -19.005 127 HB2 ASN 17 2HB ASN 17 -3.937 -4.323 -17.486 128 HB3 ASN 17 3HB ASN 17 -3.808 -2.574 -17.326 129 HD21 ASN 17 1HD2 ASN 17 -5.561 -5.097 -18.628 130 HD22 ASN 17 2HD2 ASN 17 -6.542 -4.196 -19.729 131 H DAL 18 H DAL 18 -2.024 -2.962 -16.313 132 HA DAL 18 HA DAL 18 0.490 -4.505 -16.178 133 HB1 DAL 18 2HB DAL 18 -0.623 -6.257 -15.240 134 HB2 DAL 18 3HB DAL 18 -0.763 -5.212 -13.806 135 H PHE 19 H PHE 19 -1.788 -3.141 -13.803 136 HA PHE 19 HA PHE 19 0.409 -1.548 -12.710 137 HB2 PHE 19 2HB PHE 19 -0.844 0.487 -12.691 138 HB3 PHE 19 3HB PHE 19 -0.926 -0.149 -14.331 139 HD1 PHE 19 HD1 PHE 19 -3.012 -1.812 -14.680 140 HD2 PHE 19 HD2 PHE 19 -2.781 1.334 -11.823 141 HE1 PHE 19 HE1 PHE 19 -5.469 -1.710 -14.599 142 HE2 PHE 19 HE2 PHE 19 -5.237 1.440 -11.736 143 HZ PHE 19 HZ PHE 19 -6.585 -0.083 -13.124 144 H GLN 20 H GLN 20 -0.962 -3.948 -11.816 145 HA GLN 20 HA GLN 20 -1.281 -3.346 -9.108 146 HB2 GLN 20 2HB GLN 20 -3.569 -2.685 -10.598 147 HB3 GLN 20 3HB GLN 20 -3.956 -4.193 -9.780 148 HG2 GLN 20 2HG GLN 20 -3.043 -3.022 -7.673 149 HG3 GLN 20 3HG GLN 20 -3.249 -1.539 -8.603 150 HE21 GLN 20 1HE2 GLN 20 -4.610 -2.661 -6.183 151 HE22 GLN 20 2HE2 GLN 20 -6.295 -2.588 -6.557 152 H PHE 21 H PHE 21 -0.816 -5.166 -8.070 153 HA PHE 21 HA PHE 21 -1.458 -7.724 -9.386 154 HB2 PHE 21 2HB PHE 21 0.930 -6.950 -7.709 155 HB3 PHE 21 3HB PHE 21 0.536 -8.620 -8.104 156 HD1 PHE 21 HD1 PHE 21 0.006 -8.909 -10.752 157 HD2 PHE 21 HD2 PHE 21 2.551 -5.984 -8.996 158 HE1 PHE 21 HE1 PHE 21 1.221 -8.693 -12.880 159 HE2 PHE 21 HE2 PHE 21 3.769 -5.762 -11.121 160 HZ PHE 21 HZ PHE 21 3.105 -7.118 -13.067 161 H VAL 22 H VAL 22 -3.414 -8.045 -8.339 162 HA VAL 22 HA VAL 22 -3.627 -7.869 -5.474 163 HB VAL 22 HB VAL 22 -5.893 -8.861 -5.829 164 HG11 VAL 22 1HG1 VAL 22 -4.999 -6.389 -7.260 165 HG12 VAL 22 2HG1 VAL 22 -6.692 -6.886 -7.299 166 HG13 VAL 22 3HG1 VAL 22 -5.908 -6.543 -5.757 167 HG21 VAL 22 1HG2 VAL 22 -5.227 -10.148 -7.875 168 HG22 VAL 22 2HG2 VAL 22 -6.737 -9.249 -8.025 169 HG23 VAL 22 3HG2 VAL 22 -5.262 -8.626 -8.765 170 H PHE 23 H PHE 23 -2.943 -10.341 -7.819 171 HA PHE 23 HA PHE 23 -2.302 -12.199 -5.691 172 HB2 PHE 23 2HB PHE 23 -4.328 -12.917 -7.820 173 HB3 PHE 23 3HB PHE 23 -3.649 -14.032 -6.638 174 HD1 PHE 23 HD1 PHE 23 -4.020 -13.454 -4.155 175 HD2 PHE 23 HD2 PHE 23 -6.276 -11.765 -7.345 176 HE1 PHE 23 HE1 PHE 23 -5.813 -12.872 -2.574 177 HE2 PHE 23 HE2 PHE 23 -8.072 -11.179 -5.769 178 HZ PHE 23 HZ PHE 23 -7.841 -11.731 -3.380 179 H DBU 24 H DBU 24 -1.090 -10.678 -8.026 180 HB DBU 24 HB DBU 24 2.063 -12.404 -9.683 181 HG1 DBU 24 1HG DBU 24 1.295 -12.662 -6.750 182 HG2 DBU 24 2HG DBU 24 2.309 -11.284 -7.197 183 HG3 DBU 24 3HG DBU 24 2.852 -12.936 -7.542 184 H CYS 25 H CYS 25 -2.001 -10.945 -10.188 185 HA CYS 25 HA CYS 25 -1.078 -11.427 -12.934 186 HB2 CYS 25 2HB CYS 25 -3.969 -11.839 -12.365 187 HB3 CYS 25 3HB CYS 25 -2.938 -12.611 -13.565 188 H CYS 26 H CYS 26 -3.294 -10.506 -14.282 189 HA CYS 26 HA CYS 26 -3.927 -7.864 -13.230 190 HB2 CYS 26 2HB CYS 26 -1.751 -7.993 -14.779 191 HB3 CYS 26 3HB CYS 26 -2.970 -7.909 -16.047 192 H SER 27 H SER 27 -5.905 -7.165 -13.827 193 HA SER 27 HA SER 27 -7.224 -8.267 -16.166 194 HB2 SER 27 2HB SER 27 -7.938 -9.966 -14.720 195 HB3 SER 27 3HB SER 27 -8.085 -8.867 -13.348 196 HG SER 27 HG SER 27 -10.063 -8.488 -13.920 Start of MODEL 16 1 H1 LYS 1 H LYS 1 4.444 5.339 -6.697 2 HA LYS 1 HA LYS 1 3.117 5.898 -4.880 3 HB2 LYS 1 2HB LYS 1 0.840 6.841 -5.240 4 HB3 LYS 1 3HB LYS 1 2.118 7.787 -5.993 5 HG2 LYS 1 2HG LYS 1 1.535 7.066 -8.146 6 HG3 LYS 1 3HG LYS 1 0.546 5.742 -7.525 7 HD2 LYS 1 2HD LYS 1 -0.277 8.405 -6.611 8 HD3 LYS 1 3HD LYS 1 -0.413 8.158 -8.353 9 HE2 LYS 1 2HE LYS 1 -1.928 6.411 -8.111 10 HE3 LYS 1 3HE LYS 1 -1.461 6.109 -6.438 11 HZ1 LYS 1 1HZ LYS 1 -3.182 7.347 -5.845 12 HZ2 LYS 1 2HZ LYS 1 -3.498 7.802 -7.442 13 HZ3 LYS 1 3HZ LYS 1 -2.410 8.698 -6.507 14 H LYS 2 H LYS 2 3.361 3.376 -6.387 15 HA LYS 2 HA LYS 2 1.498 1.840 -4.917 16 HB2 LYS 2 2HB LYS 2 0.525 2.818 -7.390 17 HB3 LYS 2 3HB LYS 2 0.845 1.103 -7.611 18 HG2 LYS 2 2HG LYS 2 -0.662 0.491 -5.922 19 HG3 LYS 2 3HG LYS 2 -0.737 2.134 -5.280 20 HD2 LYS 2 2HD LYS 2 -1.634 1.515 -8.076 21 HD3 LYS 2 3HD LYS 2 -2.711 1.277 -6.698 22 HE2 LYS 2 2HE LYS 2 -2.135 3.690 -6.070 23 HE3 LYS 2 3HE LYS 2 -1.482 3.827 -7.702 24 HZ1 LYS 2 1HZ LYS 2 -3.634 4.531 -7.983 25 HZ2 LYS 2 2HZ LYS 2 -4.269 3.451 -6.847 26 HZ3 LYS 2 3HZ LYS 2 -3.787 2.890 -8.368 27 H LYS 3 H LYS 3 3.498 1.908 -7.847 28 HA LYS 3 HA LYS 3 5.118 0.511 -8.620 29 HB2 LYS 3 2HB LYS 3 5.339 0.461 -5.755 30 HB3 LYS 3 3HB LYS 3 5.733 -1.126 -6.402 31 HG2 LYS 3 2HG LYS 3 7.710 -0.426 -7.119 32 HG3 LYS 3 3HG LYS 3 6.992 0.959 -7.945 33 HD2 LYS 3 2HD LYS 3 8.270 2.068 -6.416 34 HD3 LYS 3 3HD LYS 3 6.802 1.863 -5.457 35 HE2 LYS 3 2HE LYS 3 8.418 -0.467 -5.171 36 HE3 LYS 3 3HE LYS 3 9.423 0.953 -4.887 37 HZ1 LYS 3 1HZ LYS 3 7.071 1.441 -3.550 38 HZ2 LYS 3 2HZ LYS 3 8.556 1.012 -2.862 39 HZ3 LYS 3 3HZ LYS 3 7.416 -0.184 -3.228 40 H SER 4 H SER 4 5.750 -1.940 -8.698 41 HA SER 4 HA SER 4 3.233 -3.425 -9.005 42 HB2 SER 4 2HB SER 4 4.567 -4.882 -10.554 43 HB3 SER 4 3HB SER 4 4.434 -3.205 -11.085 44 HG SER 4 HG SER 4 6.651 -4.589 -10.074 45 H GLY 5 H GLY 5 3.067 -5.581 -8.307 46 HA2 GLY 5 2HA GLY 5 4.642 -6.152 -5.941 47 HA3 GLY 5 3HA GLY 5 3.244 -7.052 -6.509 48 H VAL 6 H VAL 6 4.237 -7.481 -9.177 49 HA VAL 6 HA VAL 6 6.679 -9.034 -8.793 50 HB VAL 6 HB VAL 6 4.077 -10.246 -9.730 51 HG11 VAL 6 1HG1 VAL 6 6.842 -10.956 -10.310 52 HG12 VAL 6 2HG1 VAL 6 5.922 -12.279 -9.590 53 HG13 VAL 6 3HG1 VAL 6 5.348 -11.506 -11.068 54 HG21 VAL 6 1HG2 VAL 6 5.880 -11.045 -7.450 55 HG22 VAL 6 2HG2 VAL 6 4.425 -10.064 -7.272 56 HG23 VAL 6 3HG2 VAL 6 4.304 -11.726 -7.851 57 H ILE 7 H ILE 7 4.268 -9.339 -11.349 58 HA ILE 7 HA ILE 7 5.902 -7.731 -13.157 59 HB ILE 7 HB ILE 7 5.147 -10.589 -13.778 60 HG12 ILE 7 2HG1 ILE 7 7.879 -9.347 -13.391 61 HG13 ILE 7 3HG1 ILE 7 7.055 -10.348 -12.201 62 HG21 ILE 7 1HG2 ILE 7 6.668 -8.573 -15.426 63 HG22 ILE 7 2HG2 ILE 7 6.355 -10.252 -15.866 64 HG23 ILE 7 3HG2 ILE 7 5.016 -9.113 -15.725 65 HD11 ILE 7 1HD1 ILE 7 8.283 -11.124 -14.802 66 HD12 ILE 7 2HD1 ILE 7 8.476 -11.847 -13.205 67 HD13 ILE 7 3HD1 ILE 7 6.986 -12.099 -14.113 68 HA PRO 8 HA PRO 8 1.632 -6.640 -14.046 69 HB2 PRO 8 2HB PRO 8 2.260 -4.431 -15.494 70 HB3 PRO 8 3HB PRO 8 2.256 -4.452 -13.726 71 HG2 PRO 8 2HG PRO 8 4.562 -4.697 -15.619 72 HG3 PRO 8 3HG PRO 8 4.441 -3.759 -14.120 73 HD2 PRO 8 2HD PRO 8 5.697 -6.155 -14.241 74 HD3 PRO 8 3HD PRO 8 4.842 -5.597 -12.789 75 H DBB 9 H DBB 9 0.968 -8.229 -15.450 76 HA DBB 9 HA DBB 9 1.620 -7.805 -18.322 77 HB2 DBB 9 3HB DBB 9 -0.763 -9.364 -17.286 78 HG1 DBB 9 1HG DBB 9 -0.271 -6.413 -17.206 79 HG2 DBB 9 2HG DBB 9 -1.854 -6.944 -17.823 80 HG3 DBB 9 3HG DBB 9 -1.331 -7.419 -16.189 81 H VAL 10 H VAL 10 0.408 -10.480 -16.293 82 HA VAL 10 HA VAL 10 2.227 -12.283 -17.732 83 HB VAL 10 HB VAL 10 1.916 -12.110 -14.736 84 HG11 VAL 10 1HG1 VAL 10 2.133 -14.329 -14.698 85 HG12 VAL 10 2HG1 VAL 10 2.493 -14.401 -16.424 86 HG13 VAL 10 3HG1 VAL 10 3.783 -14.075 -15.265 87 HG21 VAL 10 1HG2 VAL 10 3.577 -10.605 -15.414 88 HG22 VAL 10 2HG2 VAL 10 4.467 -12.052 -14.940 89 HG23 VAL 10 3HG2 VAL 10 4.195 -11.704 -16.647 90 H DAL 11 H DAL 11 0.293 -13.045 -14.901 91 HA DAL 11 HA DAL 11 -2.158 -13.785 -15.670 92 HB1 DAL 11 2HB DAL 11 -0.880 -14.405 -13.493 93 HB2 DAL 11 3HB DAL 11 -2.131 -15.534 -14.064 94 H HIS 12 H HIS 12 -3.126 -15.085 -17.106 95 HA HIS 12 HA HIS 12 -1.451 -16.996 -18.595 96 HB2 HIS 12 2HB HIS 12 -4.384 -17.031 -17.906 97 HB3 HIS 12 3HB HIS 12 -3.715 -18.048 -19.178 98 HD1 HIS 12 HD1 HIS 12 -3.948 -17.716 -15.491 99 HD2 HIS 12 HD2 HIS 12 -2.012 -20.126 -18.267 100 HE1 HIS 12 HE1 HIS 12 -3.088 -19.687 -14.187 101 H ASP 13 H ASP 13 -3.805 -14.412 -18.849 102 HA ASP 13 HA ASP 13 -3.398 -14.382 -21.767 103 HB2 ASP 13 2HB ASP 13 -5.788 -14.512 -20.399 104 HB3 ASP 13 3HB ASP 13 -5.639 -12.793 -20.753 105 H CYS 14 H CYS 14 -4.069 -12.191 -19.034 106 HA CYS 14 HA CYS 14 -3.311 -10.104 -18.539 107 HB2 CYS 14 2HB CYS 14 -1.083 -10.950 -18.637 108 HB3 CYS 14 3HB CYS 14 -1.104 -10.990 -20.397 109 H HIS 15 H HIS 15 -3.688 -8.030 -19.216 110 HA HIS 15 HA HIS 15 -4.357 -7.688 -22.066 111 HB2 HIS 15 2HB HIS 15 -5.859 -6.997 -19.611 112 HB3 HIS 15 3HB HIS 15 -5.863 -5.778 -20.882 113 HD1 HIS 15 HD1 HIS 15 -7.001 -6.431 -23.142 114 HD2 HIS 15 HD2 HIS 15 -7.380 -9.260 -20.123 115 HE1 HIS 15 HE1 HIS 15 -8.800 -8.007 -23.920 116 H MET 16 H MET 16 -4.003 -5.488 -19.287 117 HA MET 16 HA MET 16 -1.557 -4.367 -20.032 118 HB2 MET 16 2HB MET 16 -2.438 -2.148 -20.894 119 HB3 MET 16 3HB MET 16 -2.526 -3.503 -22.012 120 HG2 MET 16 2HG MET 16 -4.726 -3.322 -22.189 121 HG3 MET 16 3HG MET 16 -4.932 -3.295 -20.439 122 HE1 MET 16 1HE MET 16 -6.036 -0.014 -23.081 123 HE2 MET 16 2HE MET 16 -5.105 -1.381 -23.693 124 HE3 MET 16 3HE MET 16 -6.607 -1.661 -22.811 125 H ASN 17 H ASN 17 -1.981 -4.917 -17.642 126 HA ASN 17 HA ASN 17 -2.359 -2.405 -16.257 127 HB2 ASN 17 2HB ASN 17 -4.026 -4.796 -15.452 128 HB3 ASN 17 3HB ASN 17 -4.044 -3.195 -14.717 129 HD21 ASN 17 1HD2 ASN 17 -5.266 -5.192 -17.187 130 HD22 ASN 17 2HD2 ASN 17 -6.282 -4.021 -17.952 131 H DAL 18 H DAL 18 -2.414 -3.293 -13.665 132 HA DAL 18 HA DAL 18 0.297 -4.385 -13.369 133 HB1 DAL 18 2HB DAL 18 -0.659 -6.481 -13.131 134 HB2 DAL 18 3HB DAL 18 -0.863 -5.893 -11.464 135 H PHE 19 H PHE 19 -2.516 -4.051 -11.211 136 HA PHE 19 HA PHE 19 -1.068 -1.916 -9.793 137 HB2 PHE 19 2HB PHE 19 -3.160 -1.010 -9.111 138 HB3 PHE 19 3HB PHE 19 -3.318 -1.371 -10.827 139 HD1 PHE 19 HD1 PHE 19 -4.391 -3.635 -11.438 140 HD2 PHE 19 HD2 PHE 19 -4.730 -1.803 -7.611 141 HE1 PHE 19 HE1 PHE 19 -6.391 -4.990 -10.970 142 HE2 PHE 19 HE2 PHE 19 -6.730 -3.156 -7.137 143 HZ PHE 19 HZ PHE 19 -7.563 -4.752 -8.817 144 H GLN 20 H GLN 20 -2.532 -5.038 -9.514 145 HA GLN 20 HA GLN 20 -1.293 -5.513 -6.994 146 HB2 GLN 20 2HB GLN 20 -4.081 -4.623 -7.043 147 HB3 GLN 20 3HB GLN 20 -3.851 -6.146 -6.195 148 HG2 GLN 20 2HG GLN 20 -1.802 -4.559 -5.249 149 HG3 GLN 20 3HG GLN 20 -3.163 -3.449 -5.395 150 HE21 GLN 20 1HE2 GLN 20 -4.597 -3.414 -3.809 151 HE22 GLN 20 2HE2 GLN 20 -4.754 -4.601 -2.564 152 H PHE 21 H PHE 21 -1.309 -7.701 -6.408 153 HA PHE 21 HA PHE 21 -2.337 -9.491 -8.506 154 HB2 PHE 21 2HB PHE 21 0.032 -9.746 -6.653 155 HB3 PHE 21 3HB PHE 21 -0.582 -11.093 -7.606 156 HD1 PHE 21 HD1 PHE 21 -0.122 -11.276 -9.921 157 HD2 PHE 21 HD2 PHE 21 0.979 -7.762 -7.787 158 HE1 PHE 21 HE1 PHE 21 1.236 -10.541 -11.837 159 HE2 PHE 21 HE2 PHE 21 2.338 -7.021 -9.699 160 HZ PHE 21 HZ PHE 21 2.467 -8.411 -11.729 161 H VAL 22 H VAL 22 -3.628 -11.185 -7.992 162 HA VAL 22 HA VAL 22 -4.482 -11.377 -5.183 163 HB VAL 22 HB VAL 22 -5.984 -12.339 -7.619 164 HG11 VAL 22 1HG1 VAL 22 -7.673 -11.768 -5.432 165 HG12 VAL 22 2HG1 VAL 22 -7.314 -13.339 -6.150 166 HG13 VAL 22 3HG1 VAL 22 -6.334 -12.734 -4.814 167 HG21 VAL 22 1HG2 VAL 22 -7.428 -10.247 -6.733 168 HG22 VAL 22 2HG2 VAL 22 -5.801 -9.678 -6.358 169 HG23 VAL 22 3HG2 VAL 22 -6.219 -10.126 -8.012 170 H PHE 23 H PHE 23 -3.068 -13.110 -7.812 171 HA PHE 23 HA PHE 23 -2.358 -15.297 -6.128 172 HB2 PHE 23 2HB PHE 23 -3.514 -16.964 -7.810 173 HB3 PHE 23 3HB PHE 23 -4.408 -16.310 -6.442 174 HD1 PHE 23 HD1 PHE 23 -3.547 -14.899 -9.784 175 HD2 PHE 23 HD2 PHE 23 -6.605 -16.035 -7.050 176 HE1 PHE 23 HE1 PHE 23 -5.249 -14.015 -11.326 177 HE2 PHE 23 HE2 PHE 23 -8.312 -15.155 -8.588 178 HZ PHE 23 HZ PHE 23 -7.635 -14.144 -10.729 179 H DBU 24 H DBU 24 -1.192 -13.313 -7.969 180 HB DBU 24 HB DBU 24 1.975 -14.593 -10.019 181 HG1 DBU 24 1HG DBU 24 1.299 -16.165 -7.651 182 HG2 DBU 24 2HG DBU 24 1.739 -14.534 -7.126 183 HG3 DBU 24 3HG DBU 24 2.872 -15.491 -8.098 184 H CYS 25 H CYS 25 -2.091 -12.991 -10.087 185 HA CYS 25 HA CYS 25 -1.037 -12.372 -12.762 186 HB2 CYS 25 2HB CYS 25 -3.938 -13.013 -12.441 187 HB3 CYS 25 3HB CYS 25 -2.907 -13.172 -13.859 188 H CYS 26 H CYS 26 -3.157 -10.987 -13.779 189 HA CYS 26 HA CYS 26 -3.920 -8.947 -11.845 190 HB2 CYS 26 2HB CYS 26 -1.639 -8.432 -13.041 191 HB3 CYS 26 3HB CYS 26 -2.674 -7.998 -14.397 192 H SER 27 H SER 27 -5.680 -7.668 -12.500 193 HA SER 27 HA SER 27 -7.669 -7.256 -13.525 194 HB2 SER 27 2HB SER 27 -5.733 -7.396 -15.604 195 HB3 SER 27 3HB SER 27 -7.194 -8.194 -16.184 196 HG SER 27 HG SER 27 -7.847 -6.228 -16.538 Start of MODEL 17 1 H1 LYS 1 H LYS 1 0.589 -1.157 0.098 2 HA LYS 1 HA LYS 1 0.004 0.198 -1.656 3 HB2 LYS 1 2HB LYS 1 0.187 2.041 0.714 4 HB3 LYS 1 3HB LYS 1 -0.343 2.629 -0.856 5 HG2 LYS 1 2HG LYS 1 -2.318 1.491 -0.776 6 HG3 LYS 1 3HG LYS 1 -1.669 0.216 0.258 7 HD2 LYS 1 2HD LYS 1 -1.467 2.434 1.857 8 HD3 LYS 1 3HD LYS 1 -2.963 2.741 0.970 9 HE2 LYS 1 2HE LYS 1 -3.799 1.524 2.708 10 HE3 LYS 1 3HE LYS 1 -3.423 0.212 1.593 11 HZ1 LYS 1 1HZ LYS 1 -1.213 0.941 3.275 12 HZ2 LYS 1 2HZ LYS 1 -1.870 -0.584 2.956 13 HZ3 LYS 1 3HZ LYS 1 -2.555 0.398 4.151 14 H LYS 2 H LYS 2 2.273 -0.334 -2.490 15 HA LYS 2 HA LYS 2 3.764 2.182 -2.859 16 HB2 LYS 2 2HB LYS 2 5.807 0.955 -3.001 17 HB3 LYS 2 3HB LYS 2 4.975 0.410 -1.551 18 HG2 LYS 2 2HG LYS 2 4.049 -1.411 -3.262 19 HG3 LYS 2 3HG LYS 2 5.583 -1.042 -4.052 20 HD2 LYS 2 2HD LYS 2 6.149 -2.777 -2.618 21 HD3 LYS 2 3HD LYS 2 6.596 -1.345 -1.688 22 HE2 LYS 2 2HE LYS 2 4.013 -1.664 -0.934 23 HE3 LYS 2 3HE LYS 2 4.487 -3.340 -1.207 24 HZ1 LYS 2 1HZ LYS 2 4.934 -1.946 1.061 25 HZ2 LYS 2 2HZ LYS 2 6.425 -1.814 0.275 26 HZ3 LYS 2 3HZ LYS 2 5.773 -3.341 0.600 27 H LYS 3 H LYS 3 5.188 2.007 -4.926 28 HA LYS 3 HA LYS 3 3.554 2.018 -7.151 29 HB2 LYS 3 2HB LYS 3 5.768 3.072 -7.090 30 HB3 LYS 3 3HB LYS 3 6.530 1.488 -7.052 31 HG2 LYS 3 2HG LYS 3 4.927 1.358 -9.285 32 HG3 LYS 3 3HG LYS 3 5.522 3.019 -9.303 33 HD2 LYS 3 2HD LYS 3 7.457 0.821 -8.763 34 HD3 LYS 3 3HD LYS 3 6.889 1.054 -10.418 35 HE2 LYS 3 2HE LYS 3 7.691 3.516 -9.035 36 HE3 LYS 3 3HE LYS 3 8.997 2.360 -9.291 37 HZ1 LYS 3 1HZ LYS 3 7.331 2.732 -11.602 38 HZ2 LYS 3 2HZ LYS 3 9.017 2.768 -11.469 39 HZ3 LYS 3 3HZ LYS 3 8.111 4.152 -11.114 40 H SER 4 H SER 4 2.375 0.371 -7.878 41 HA SER 4 HA SER 4 3.255 -2.362 -7.601 42 HB2 SER 4 2HB SER 4 1.091 -2.953 -8.544 43 HB3 SER 4 3HB SER 4 0.873 -1.709 -7.313 44 HG SER 4 HG SER 4 0.619 -0.188 -8.926 45 H GLY 5 H GLY 5 2.454 -3.661 -9.810 46 HA2 GLY 5 2HA GLY 5 2.698 -3.667 -12.215 47 HA3 GLY 5 3HA GLY 5 3.935 -2.430 -12.043 48 H VAL 6 H VAL 6 3.518 -5.519 -10.337 49 HA VAL 6 HA VAL 6 6.175 -6.214 -10.205 50 HB VAL 6 HB VAL 6 3.795 -8.056 -10.466 51 HG11 VAL 6 1HG1 VAL 6 6.624 -8.629 -10.400 52 HG12 VAL 6 2HG1 VAL 6 5.795 -9.333 -9.010 53 HG13 VAL 6 3HG1 VAL 6 5.261 -9.720 -10.646 54 HG21 VAL 6 1HG2 VAL 6 3.790 -6.468 -8.549 55 HG22 VAL 6 2HG2 VAL 6 3.841 -8.164 -8.067 56 HG23 VAL 6 3HG2 VAL 6 5.307 -7.186 -8.006 57 H ILE 7 H ILE 7 4.055 -8.073 -12.350 58 HA ILE 7 HA ILE 7 5.909 -7.670 -14.573 59 HB ILE 7 HB ILE 7 5.144 -10.406 -13.548 60 HG12 ILE 7 2HG1 ILE 7 6.942 -9.274 -12.264 61 HG13 ILE 7 3HG1 ILE 7 7.516 -10.703 -13.117 62 HG21 ILE 7 1HG2 ILE 7 6.650 -9.548 -16.009 63 HG22 ILE 7 2HG2 ILE 7 6.662 -11.194 -15.378 64 HG23 ILE 7 3HG2 ILE 7 5.150 -10.471 -15.930 65 HD11 ILE 7 1HD1 ILE 7 8.596 -8.140 -13.185 66 HD12 ILE 7 2HD1 ILE 7 9.033 -9.514 -14.201 67 HD13 ILE 7 3HD1 ILE 7 7.818 -8.360 -14.752 68 HA PRO 8 HA PRO 8 1.793 -7.373 -16.354 69 HB2 PRO 8 2HB PRO 8 2.641 -6.322 -18.709 70 HB3 PRO 8 3HB PRO 8 2.458 -5.359 -17.238 71 HG2 PRO 8 2HG PRO 8 4.934 -6.550 -18.427 72 HG3 PRO 8 3HG PRO 8 4.694 -4.941 -17.721 73 HD2 PRO 8 2HD PRO 8 5.871 -6.968 -16.364 74 HD3 PRO 8 3HD PRO 8 4.894 -5.722 -15.561 75 H DBB 9 H DBB 9 1.183 -9.466 -16.732 76 HA DBB 9 HA DBB 9 2.218 -10.734 -19.221 77 HB2 DBB 9 3HB DBB 9 -0.006 -11.875 -19.304 78 HG1 DBB 9 1HG DBB 9 -1.310 -11.908 -17.462 79 HG2 DBB 9 2HG DBB 9 -0.137 -10.875 -16.611 80 HG3 DBB 9 3HG DBB 9 -1.462 -10.136 -17.541 81 H VAL 10 H VAL 10 1.626 -11.041 -15.821 82 HA VAL 10 HA VAL 10 3.068 -13.567 -15.802 83 HB VAL 10 HB VAL 10 3.741 -11.849 -14.202 84 HG11 VAL 10 1HG1 VAL 10 1.576 -10.753 -13.917 85 HG12 VAL 10 2HG1 VAL 10 0.972 -12.163 -13.045 86 HG13 VAL 10 3HG1 VAL 10 2.277 -11.193 -12.361 87 HG21 VAL 10 1HG2 VAL 10 2.665 -13.651 -12.225 88 HG22 VAL 10 2HG2 VAL 10 3.228 -14.535 -13.643 89 HG23 VAL 10 3HG2 VAL 10 4.328 -13.459 -12.781 90 H DAL 11 H DAL 11 -0.153 -12.366 -15.373 91 HA DAL 11 HA DAL 11 -2.183 -13.393 -14.926 92 HB1 DAL 11 2HB DAL 11 -0.832 -13.968 -12.770 93 HB2 DAL 11 3HB DAL 11 -2.269 -14.949 -13.142 94 H HIS 12 H HIS 12 -3.420 -15.329 -15.484 95 HA HIS 12 HA HIS 12 -2.016 -17.068 -17.402 96 HB2 HIS 12 2HB HIS 12 -3.699 -17.720 -15.249 97 HB3 HIS 12 3HB HIS 12 -4.654 -18.009 -16.700 98 HD1 HIS 12 HD1 HIS 12 -2.943 -19.351 -18.613 99 HD2 HIS 12 HD2 HIS 12 -2.461 -19.999 -14.538 100 HE1 HIS 12 HE1 HIS 12 -1.743 -21.552 -18.420 101 H ASP 13 H ASP 13 -4.510 -14.731 -17.000 102 HA ASP 13 HA ASP 13 -5.699 -15.325 -19.599 103 HB2 ASP 13 2HB ASP 13 -6.434 -13.203 -17.571 104 HB3 ASP 13 3HB ASP 13 -7.351 -13.613 -19.019 105 H CYS 14 H CYS 14 -4.705 -12.287 -18.018 106 HA CYS 14 HA CYS 14 -3.602 -10.457 -18.796 107 HB2 CYS 14 2HB CYS 14 -1.969 -12.377 -19.464 108 HB3 CYS 14 3HB CYS 14 -2.532 -12.054 -21.100 109 H HIS 15 H HIS 15 -5.008 -8.998 -19.535 110 HA HIS 15 HA HIS 15 -5.803 -9.166 -22.357 111 HB2 HIS 15 2HB HIS 15 -7.643 -9.888 -20.705 112 HB3 HIS 15 3HB HIS 15 -7.719 -8.189 -20.249 113 HD1 HIS 15 HD1 HIS 15 -7.096 -8.961 -23.823 114 HD2 HIS 15 HD2 HIS 15 -10.325 -8.075 -21.364 115 HE1 HIS 15 HE1 HIS 15 -8.996 -8.417 -25.378 116 H MET 16 H MET 16 -3.751 -7.637 -20.887 117 HA MET 16 HA MET 16 -2.843 -5.552 -20.954 118 HB2 MET 16 2HB MET 16 -4.498 -5.700 -23.218 119 HB3 MET 16 3HB MET 16 -4.849 -4.143 -22.479 120 HG2 MET 16 2HG MET 16 -3.054 -3.346 -23.492 121 HG3 MET 16 3HG MET 16 -2.077 -4.350 -22.424 122 HE1 MET 16 1HE MET 16 -4.549 -5.066 -25.268 123 HE2 MET 16 2HE MET 16 -3.481 -3.997 -26.177 124 HE3 MET 16 3HE MET 16 -3.547 -5.716 -26.566 125 H ASN 17 H ASN 17 -2.908 -4.478 -19.098 126 HA ASN 17 HA ASN 17 -4.844 -2.554 -18.486 127 HB2 ASN 17 2HB ASN 17 -5.460 -5.260 -17.572 128 HB3 ASN 17 3HB ASN 17 -5.411 -4.092 -16.255 129 HD21 ASN 17 1HD2 ASN 17 -6.523 -1.930 -16.941 130 HD22 ASN 17 2HD2 ASN 17 -8.096 -2.125 -17.628 131 H DAL 18 H DAL 18 -3.307 -4.881 -16.282 132 HA DAL 18 HA DAL 18 -0.935 -3.507 -15.714 133 HB1 DAL 18 2HB DAL 18 -1.008 -5.642 -14.773 134 HB2 DAL 18 3HB DAL 18 -1.343 -4.640 -13.341 135 H PHE 19 H PHE 19 -3.695 -3.621 -13.466 136 HA PHE 19 HA PHE 19 -3.159 -0.795 -12.827 137 HB2 PHE 19 2HB PHE 19 -5.487 -0.409 -12.502 138 HB3 PHE 19 3HB PHE 19 -5.335 -1.254 -14.039 139 HD1 PHE 19 HD1 PHE 19 -7.070 -1.131 -11.007 140 HD2 PHE 19 HD2 PHE 19 -5.523 -3.879 -13.865 141 HE1 PHE 19 HE1 PHE 19 -8.656 -2.839 -10.217 142 HE2 PHE 19 HE2 PHE 19 -7.106 -5.591 -13.080 143 HZ PHE 19 HZ PHE 19 -8.676 -5.072 -11.255 144 H GLN 20 H GLN 20 -3.585 -4.001 -11.671 145 HA GLN 20 HA GLN 20 -2.512 -3.481 -9.148 146 HB2 GLN 20 2HB GLN 20 -5.327 -2.919 -9.349 147 HB3 GLN 20 3HB GLN 20 -5.065 -4.263 -8.246 148 HG2 GLN 20 2HG GLN 20 -3.131 -2.414 -7.532 149 HG3 GLN 20 3HG GLN 20 -4.559 -1.442 -7.882 150 HE21 GLN 20 1HE2 GLN 20 -2.970 -2.854 -5.466 151 HE22 GLN 20 2HE2 GLN 20 -4.272 -3.212 -4.389 152 H PHE 21 H PHE 21 -1.977 -5.355 -8.108 153 HA PHE 21 HA PHE 21 -2.704 -7.828 -9.498 154 HB2 PHE 21 2HB PHE 21 -0.449 -7.141 -7.612 155 HB3 PHE 21 3HB PHE 21 -0.781 -8.785 -8.147 156 HD1 PHE 21 HD1 PHE 21 0.169 -5.407 -9.300 157 HD2 PHE 21 HD2 PHE 21 -0.069 -9.548 -10.255 158 HE1 PHE 21 HE1 PHE 21 1.518 -5.016 -11.321 159 HE2 PHE 21 HE2 PHE 21 1.280 -9.164 -12.276 160 HZ PHE 21 HZ PHE 21 2.076 -6.895 -12.811 161 H VAL 22 H VAL 22 -4.349 -8.927 -8.675 162 HA VAL 22 HA VAL 22 -5.192 -8.589 -5.943 163 HB VAL 22 HB VAL 22 -6.889 -10.367 -6.560 164 HG11 VAL 22 1HG1 VAL 22 -8.227 -8.847 -7.890 165 HG12 VAL 22 2HG1 VAL 22 -7.341 -7.946 -6.657 166 HG13 VAL 22 3HG1 VAL 22 -6.788 -7.928 -8.332 167 HG21 VAL 22 1HG2 VAL 22 -5.364 -11.251 -8.423 168 HG22 VAL 22 2HG2 VAL 22 -7.092 -11.137 -8.758 169 HG23 VAL 22 3HG2 VAL 22 -5.989 -9.912 -9.386 170 H PHE 23 H PHE 23 -3.199 -10.789 -7.693 171 HA PHE 23 HA PHE 23 -2.299 -12.081 -5.344 172 HB2 PHE 23 2HB PHE 23 -3.091 -14.424 -6.232 173 HB3 PHE 23 3HB PHE 23 -4.161 -13.449 -5.231 174 HD1 PHE 23 HD1 PHE 23 -3.295 -13.616 -8.861 175 HD2 PHE 23 HD2 PHE 23 -6.346 -13.505 -5.895 176 HE1 PHE 23 HE1 PHE 23 -5.009 -13.696 -10.625 177 HE2 PHE 23 HE2 PHE 23 -8.064 -13.585 -7.654 178 HZ PHE 23 HZ PHE 23 -7.397 -13.681 -10.023 179 H DBU 24 H DBU 24 -1.079 -10.752 -7.466 180 HB DBU 24 HB DBU 24 2.271 -12.087 -9.002 181 HG1 DBU 24 1HG DBU 24 1.355 -11.430 -6.122 182 HG2 DBU 24 2HG DBU 24 2.920 -11.086 -6.869 183 HG3 DBU 24 3HG DBU 24 2.454 -12.758 -6.514 184 H CYS 25 H CYS 25 -1.912 -11.251 -9.762 185 HA CYS 25 HA CYS 25 -0.869 -12.084 -12.389 186 HB2 CYS 25 2HB CYS 25 -3.700 -12.399 -11.366 187 HB3 CYS 25 3HB CYS 25 -3.143 -12.818 -12.983 188 H CYS 26 H CYS 26 -0.896 -10.558 -13.901 189 HA CYS 26 HA CYS 26 -2.948 -8.715 -14.346 190 HB2 CYS 26 2HB CYS 26 -1.600 -7.941 -12.122 191 HB3 CYS 26 3HB CYS 26 -0.665 -7.114 -13.364 192 H SER 27 H SER 27 -2.626 -7.522 -16.219 193 HA SER 27 HA SER 27 -0.451 -8.445 -17.881 194 HB2 SER 27 2HB SER 27 -2.707 -8.275 -18.821 195 HB3 SER 27 3HB SER 27 -2.730 -6.544 -18.488 196 HG SER 27 HG SER 27 -0.608 -7.531 -19.999 Start of MODEL 18 1 H1 LYS 1 H LYS 1 3.077 2.106 -8.836 2 HA LYS 1 HA LYS 1 4.790 3.309 -10.673 3 HB2 LYS 1 2HB LYS 1 5.024 5.560 -9.875 4 HB3 LYS 1 3HB LYS 1 3.328 5.294 -10.255 5 HG2 LYS 1 2HG LYS 1 2.993 4.809 -7.794 6 HG3 LYS 1 3HG LYS 1 4.622 5.443 -7.550 7 HD2 LYS 1 2HD LYS 1 3.922 7.555 -8.625 8 HD3 LYS 1 3HD LYS 1 2.284 6.915 -8.767 9 HE2 LYS 1 2HE LYS 1 2.351 6.594 -6.250 10 HE3 LYS 1 3HE LYS 1 3.819 7.570 -6.263 11 HZ1 LYS 1 1HZ LYS 1 2.584 9.389 -6.320 12 HZ2 LYS 1 2HZ LYS 1 1.177 8.453 -6.252 13 HZ3 LYS 1 3HZ LYS 1 1.832 8.887 -7.750 14 H LYS 2 H LYS 2 6.897 3.899 -9.716 15 HA LYS 2 HA LYS 2 8.652 3.553 -8.305 16 HB2 LYS 2 2HB LYS 2 6.417 3.969 -6.558 17 HB3 LYS 2 3HB LYS 2 7.453 2.722 -5.876 18 HG2 LYS 2 2HG LYS 2 8.953 4.222 -5.235 19 HG3 LYS 2 3HG LYS 2 9.025 4.929 -6.851 20 HD2 LYS 2 2HD LYS 2 6.592 5.575 -5.343 21 HD3 LYS 2 3HD LYS 2 8.082 6.200 -4.632 22 HE2 LYS 2 2HE LYS 2 7.466 6.554 -7.548 23 HE3 LYS 2 3HE LYS 2 6.835 7.667 -6.335 24 HZ1 LYS 2 1HZ LYS 2 8.954 8.385 -5.778 25 HZ2 LYS 2 2HZ LYS 2 9.043 8.231 -7.460 26 HZ3 LYS 2 3HZ LYS 2 9.717 7.040 -6.465 27 H LYS 3 H LYS 3 6.328 1.289 -6.857 28 HA LYS 3 HA LYS 3 7.159 -1.015 -8.200 29 HB2 LYS 3 2HB LYS 3 8.944 -0.137 -6.078 30 HB3 LYS 3 3HB LYS 3 8.310 -1.750 -5.774 31 HG2 LYS 3 2HG LYS 3 9.214 -1.362 -8.519 32 HG3 LYS 3 3HG LYS 3 10.489 -1.150 -7.315 33 HD2 LYS 3 2HD LYS 3 8.750 -3.472 -6.864 34 HD3 LYS 3 3HD LYS 3 9.704 -3.545 -8.347 35 HE2 LYS 3 2HE LYS 3 11.721 -3.482 -7.200 36 HE3 LYS 3 3HE LYS 3 10.993 -2.777 -5.758 37 HZ1 LYS 3 1HZ LYS 3 10.995 -4.837 -4.958 38 HZ2 LYS 3 2HZ LYS 3 11.326 -5.529 -6.465 39 HZ3 LYS 3 3HZ LYS 3 9.730 -5.174 -6.030 40 H SER 4 H SER 4 6.695 -3.053 -6.710 41 HA SER 4 HA SER 4 4.828 -2.725 -4.596 42 HB2 SER 4 2HB SER 4 2.791 -2.957 -5.601 43 HB3 SER 4 3HB SER 4 3.632 -2.195 -6.951 44 HG SER 4 HG SER 4 2.417 -4.445 -7.051 45 H GLY 5 H GLY 5 3.485 -4.987 -4.481 46 HA2 GLY 5 2HA GLY 5 5.528 -6.958 -4.097 47 HA3 GLY 5 3HA GLY 5 3.809 -7.167 -3.797 48 H VAL 6 H VAL 6 2.677 -6.785 -6.225 49 HA VAL 6 HA VAL 6 3.801 -9.012 -7.783 50 HB VAL 6 HB VAL 6 1.079 -8.127 -8.446 51 HG11 VAL 6 1HG1 VAL 6 1.195 -10.841 -7.705 52 HG12 VAL 6 2HG1 VAL 6 1.156 -10.162 -9.333 53 HG13 VAL 6 3HG1 VAL 6 2.702 -10.481 -8.547 54 HG21 VAL 6 1HG2 VAL 6 1.763 -9.128 -5.699 55 HG22 VAL 6 2HG2 VAL 6 0.766 -7.746 -6.152 56 HG23 VAL 6 3HG2 VAL 6 0.172 -9.385 -6.415 57 H ILE 7 H ILE 7 2.546 -8.697 -10.167 58 HA ILE 7 HA ILE 7 3.193 -6.009 -11.131 59 HB ILE 7 HB ILE 7 4.308 -8.539 -12.348 60 HG12 ILE 7 2HG1 ILE 7 5.783 -6.165 -11.199 61 HG13 ILE 7 3HG1 ILE 7 5.449 -7.632 -10.286 62 HG21 ILE 7 1HG2 ILE 7 4.376 -5.679 -13.285 63 HG22 ILE 7 2HG2 ILE 7 5.450 -6.933 -13.903 64 HG23 ILE 7 3HG2 ILE 7 3.706 -7.078 -14.125 65 HD11 ILE 7 1HD1 ILE 7 7.292 -8.534 -11.094 66 HD12 ILE 7 2HD1 ILE 7 6.644 -8.399 -12.729 67 HD13 ILE 7 3HD1 ILE 7 7.599 -7.082 -12.047 68 HA PRO 8 HA PRO 8 -0.717 -6.895 -13.106 69 HB2 PRO 8 2HB PRO 8 -1.013 -4.429 -14.202 70 HB3 PRO 8 3HB PRO 8 -1.338 -4.769 -12.498 71 HG2 PRO 8 2HG PRO 8 1.092 -3.557 -13.757 72 HG3 PRO 8 3HG PRO 8 0.239 -3.074 -12.279 73 HD2 PRO 8 2HD PRO 8 2.519 -4.536 -12.234 74 HD3 PRO 8 3HD PRO 8 1.244 -4.717 -11.013 75 H DBB 9 H DBB 9 -0.321 -8.295 -14.762 76 HA DBB 9 HA DBB 9 0.809 -7.157 -17.274 77 HB2 DBB 9 3HB DBB 9 -1.154 -9.461 -17.194 78 HG1 DBB 9 1HG DBB 9 -2.874 -7.557 -17.717 79 HG2 DBB 9 2HG DBB 9 -2.430 -7.859 -16.020 80 HG3 DBB 9 3HG DBB 9 -1.701 -6.496 -16.900 81 H VAL 10 H VAL 10 0.470 -9.965 -15.163 82 HA VAL 10 HA VAL 10 2.753 -11.206 -16.558 83 HB VAL 10 HB VAL 10 3.475 -12.122 -14.375 84 HG11 VAL 10 1HG1 VAL 10 4.146 -9.804 -15.420 85 HG12 VAL 10 2HG1 VAL 10 3.346 -9.174 -13.979 86 HG13 VAL 10 3HG1 VAL 10 4.713 -10.276 -13.819 87 HG21 VAL 10 1HG2 VAL 10 1.138 -10.519 -13.409 88 HG22 VAL 10 2HG2 VAL 10 1.593 -12.177 -13.015 89 HG23 VAL 10 3HG2 VAL 10 2.515 -10.828 -12.351 90 H DAL 11 H DAL 11 -0.449 -11.509 -15.784 91 HA DAL 11 HA DAL 11 -1.977 -13.253 -15.784 92 HB1 DAL 11 2HB DAL 11 -1.399 -15.267 -14.616 93 HB2 DAL 11 3HB DAL 11 0.336 -15.039 -14.936 94 H HIS 12 H HIS 12 -2.716 -14.560 -17.368 95 HA HIS 12 HA HIS 12 -0.790 -15.794 -19.200 96 HB2 HIS 12 2HB HIS 12 -3.781 -16.214 -19.053 97 HB3 HIS 12 3HB HIS 12 -2.625 -17.172 -19.973 98 HD1 HIS 12 HD1 HIS 12 -0.573 -18.044 -18.098 99 HD2 HIS 12 HD2 HIS 12 -4.525 -17.622 -16.885 100 HE1 HIS 12 HE1 HIS 12 -0.804 -19.480 -16.046 101 H ASP 13 H ASP 13 -0.208 -13.881 -20.311 102 HA ASP 13 HA ASP 13 -0.299 -12.460 -22.088 103 HB2 ASP 13 2HB ASP 13 -1.529 -14.537 -23.068 104 HB3 ASP 13 3HB ASP 13 -2.980 -13.558 -22.874 105 H CYS 14 H CYS 14 -0.840 -10.361 -22.198 106 HA CYS 14 HA CYS 14 -3.447 -9.366 -21.635 107 HB2 CYS 14 2HB CYS 14 -3.064 -8.225 -19.577 108 HB3 CYS 14 3HB CYS 14 -2.559 -9.893 -19.327 109 H HIS 15 H HIS 15 -3.641 -7.112 -22.025 110 HA HIS 15 HA HIS 15 -1.377 -6.023 -23.547 111 HB2 HIS 15 2HB HIS 15 -3.647 -6.342 -24.648 112 HB3 HIS 15 3HB HIS 15 -4.230 -5.041 -23.613 113 HD1 HIS 15 HD1 HIS 15 -1.159 -3.712 -24.128 114 HD2 HIS 15 HD2 HIS 15 -4.265 -4.475 -26.780 115 HE1 HIS 15 HE1 HIS 15 -0.769 -2.175 -26.081 116 H MET 16 H MET 16 -4.087 -4.579 -21.735 117 HA MET 16 HA MET 16 -2.190 -3.066 -20.115 118 HB2 MET 16 2HB MET 16 -3.974 -1.920 -22.184 119 HB3 MET 16 3HB MET 16 -3.921 -1.068 -20.646 120 HG2 MET 16 2HG MET 16 -1.267 -1.738 -21.535 121 HG3 MET 16 3HG MET 16 -2.142 -0.841 -22.774 122 HE1 MET 16 1HE MET 16 0.011 0.178 -19.286 123 HE2 MET 16 2HE MET 16 0.320 -0.638 -20.819 124 HE3 MET 16 3HE MET 16 0.504 1.112 -20.699 125 H ASN 17 H ASN 17 -2.858 -4.038 -18.249 126 HA ASN 17 HA ASN 17 -5.414 -3.181 -17.200 127 HB2 ASN 17 2HB ASN 17 -4.766 -6.134 -17.291 128 HB3 ASN 17 3HB ASN 17 -6.216 -5.391 -16.621 129 HD21 ASN 17 1HD2 ASN 17 -7.747 -4.486 -18.034 130 HD22 ASN 17 2HD2 ASN 17 -7.819 -4.953 -19.696 131 H DAL 18 H DAL 18 -5.553 -4.688 -14.931 132 HA DAL 18 HA DAL 18 -3.037 -3.958 -13.520 133 HB1 DAL 18 2HB DAL 18 -2.731 -6.194 -13.215 134 HB2 DAL 18 3HB DAL 18 -4.077 -6.074 -12.057 135 H PHE 19 H PHE 19 -6.200 -5.321 -12.608 136 HA PHE 19 HA PHE 19 -6.814 -2.854 -11.158 137 HB2 PHE 19 2HB PHE 19 -9.095 -3.657 -11.055 138 HB3 PHE 19 3HB PHE 19 -8.514 -3.803 -12.710 139 HD1 PHE 19 HD1 PHE 19 -7.963 -6.011 -13.640 140 HD2 PHE 19 HD2 PHE 19 -9.689 -5.571 -9.774 141 HE1 PHE 19 HE1 PHE 19 -8.581 -8.393 -13.648 142 HE2 PHE 19 HE2 PHE 19 -10.309 -7.952 -9.776 143 HZ PHE 19 HZ PHE 19 -9.755 -9.366 -11.714 144 H GLN 20 H GLN 20 -6.296 -6.294 -10.667 145 HA GLN 20 HA GLN 20 -5.381 -6.024 -8.046 146 HB2 GLN 20 2HB GLN 20 -8.115 -5.732 -8.096 147 HB3 GLN 20 3HB GLN 20 -7.926 -7.442 -7.732 148 HG2 GLN 20 2HG GLN 20 -6.931 -7.048 -5.711 149 HG3 GLN 20 3HG GLN 20 -6.318 -5.469 -6.197 150 HE21 GLN 20 1HE2 GLN 20 -7.256 -3.844 -5.212 151 HE22 GLN 20 2HE2 GLN 20 -8.889 -3.791 -4.650 152 H PHE 21 H PHE 21 -4.520 -7.925 -7.271 153 HA PHE 21 HA PHE 21 -4.634 -10.184 -9.134 154 HB2 PHE 21 2HB PHE 21 -2.683 -9.810 -6.861 155 HB3 PHE 21 3HB PHE 21 -2.532 -10.883 -8.249 156 HD1 PHE 21 HD1 PHE 21 -2.534 -7.339 -7.206 157 HD2 PHE 21 HD2 PHE 21 -1.570 -10.140 -10.262 158 HE1 PHE 21 HE1 PHE 21 -1.293 -5.590 -8.413 159 HE2 PHE 21 HE2 PHE 21 -0.327 -8.397 -11.473 160 HZ PHE 21 HZ PHE 21 -0.186 -6.119 -10.548 161 H VAL 22 H VAL 22 -5.719 -11.965 -8.631 162 HA VAL 22 HA VAL 22 -6.942 -12.236 -6.032 163 HB VAL 22 HB VAL 22 -7.036 -14.197 -8.325 164 HG11 VAL 22 1HG1 VAL 22 -8.119 -14.187 -5.675 165 HG12 VAL 22 2HG1 VAL 22 -9.432 -14.141 -6.852 166 HG13 VAL 22 3HG1 VAL 22 -8.232 -15.431 -6.920 167 HG21 VAL 22 1HG2 VAL 22 -8.869 -11.874 -7.736 168 HG22 VAL 22 2HG2 VAL 22 -7.763 -12.007 -9.103 169 HG23 VAL 22 3HG2 VAL 22 -9.137 -13.104 -8.971 170 H PHE 23 H PHE 23 -4.903 -14.388 -8.022 171 HA PHE 23 HA PHE 23 -3.789 -15.475 -5.521 172 HB2 PHE 23 2HB PHE 23 -4.233 -17.026 -8.078 173 HB3 PHE 23 3HB PHE 23 -3.654 -17.664 -6.543 174 HD1 PHE 23 HD1 PHE 23 -5.439 -16.617 -4.574 175 HD2 PHE 23 HD2 PHE 23 -6.296 -17.919 -8.535 176 HE1 PHE 23 HE1 PHE 23 -7.755 -17.114 -3.906 177 HE2 PHE 23 HE2 PHE 23 -8.613 -18.417 -7.874 178 HZ PHE 23 HZ PHE 23 -9.345 -18.014 -5.557 179 H DBU 24 H DBU 24 -2.888 -13.329 -7.417 180 HB DBU 24 HB DBU 24 1.127 -13.510 -8.006 181 HG1 DBU 24 1HG DBU 24 -0.370 -14.577 -5.532 182 HG2 DBU 24 2HG DBU 24 1.297 -13.998 -5.656 183 HG3 DBU 24 3HG DBU 24 0.840 -15.555 -6.371 184 H CYS 25 H CYS 25 -2.234 -14.297 -10.122 185 HA CYS 25 HA CYS 25 -0.849 -12.480 -11.893 186 HB2 CYS 25 2HB CYS 25 -3.082 -14.465 -12.352 187 HB3 CYS 25 3HB CYS 25 -2.377 -13.477 -13.627 188 H CYS 26 H CYS 26 -2.602 -11.547 -13.647 189 HA CYS 26 HA CYS 26 -4.344 -9.799 -12.041 190 HB2 CYS 26 2HB CYS 26 -2.512 -8.645 -13.231 191 HB3 CYS 26 3HB CYS 26 -3.118 -9.278 -14.758 192 H SER 27 H SER 27 -6.107 -11.253 -12.080 193 HA SER 27 HA SER 27 -7.740 -10.998 -14.449 194 HB2 SER 27 2HB SER 27 -8.178 -13.456 -14.601 195 HB3 SER 27 3HB SER 27 -6.531 -13.007 -15.044 196 HG SER 27 HG SER 27 -7.158 -14.811 -13.342 Start of MODEL 19 1 H1 LYS 1 H LYS 1 6.424 -1.214 -2.790 2 HA LYS 1 HA LYS 1 4.112 0.175 -2.495 3 HB2 LYS 1 2HB LYS 1 6.426 1.679 -1.374 4 HB3 LYS 1 3HB LYS 1 5.240 2.582 -2.308 5 HG2 LYS 1 2HG LYS 1 3.483 1.947 -0.817 6 HG3 LYS 1 3HG LYS 1 4.550 0.833 0.042 7 HD2 LYS 1 2HD LYS 1 5.995 2.952 0.461 8 HD3 LYS 1 3HD LYS 1 4.511 3.826 0.075 9 HE2 LYS 1 2HE LYS 1 3.965 1.679 1.908 10 HE3 LYS 1 3HE LYS 1 5.251 2.706 2.536 11 HZ1 LYS 1 1HZ LYS 1 2.472 3.431 1.869 12 HZ2 LYS 1 2HZ LYS 1 3.679 4.614 1.910 13 HZ3 LYS 1 3HZ LYS 1 3.330 3.714 3.299 14 H LYS 2 H LYS 2 4.205 -0.656 -4.652 15 HA LYS 2 HA LYS 2 5.647 1.127 -6.504 16 HB2 LYS 2 2HB LYS 2 5.128 -1.838 -6.743 17 HB3 LYS 2 3HB LYS 2 5.666 -0.841 -8.088 18 HG2 LYS 2 2HG LYS 2 7.775 -0.658 -7.292 19 HG3 LYS 2 3HG LYS 2 7.260 -0.692 -5.604 20 HD2 LYS 2 2HD LYS 2 7.215 -2.994 -5.525 21 HD3 LYS 2 3HD LYS 2 6.959 -3.153 -7.265 22 HE2 LYS 2 2HE LYS 2 9.189 -2.915 -7.751 23 HE3 LYS 2 3HE LYS 2 9.515 -1.969 -6.299 24 HZ1 LYS 2 1HZ LYS 2 10.175 -4.541 -6.593 25 HZ2 LYS 2 2HZ LYS 2 8.676 -4.699 -5.826 26 HZ3 LYS 2 3HZ LYS 2 9.909 -3.803 -5.094 27 H LYS 3 H LYS 3 4.613 1.484 -8.566 28 HA LYS 3 HA LYS 3 1.961 2.236 -8.413 29 HB2 LYS 3 2HB LYS 3 3.931 1.878 -10.570 30 HB3 LYS 3 3HB LYS 3 2.254 1.779 -11.091 31 HG2 LYS 3 2HG LYS 3 3.282 4.056 -9.427 32 HG3 LYS 3 3HG LYS 3 3.362 4.056 -11.191 33 HD2 LYS 3 2HD LYS 3 0.982 3.917 -11.368 34 HD3 LYS 3 3HD LYS 3 0.815 3.638 -9.633 35 HE2 LYS 3 2HE LYS 3 0.305 5.873 -9.767 36 HE3 LYS 3 3HE LYS 3 2.038 5.945 -9.451 37 HZ1 LYS 3 1HZ LYS 3 0.762 7.166 -11.504 38 HZ2 LYS 3 2HZ LYS 3 1.397 5.786 -12.246 39 HZ3 LYS 3 3HZ LYS 3 2.423 6.856 -11.433 40 H SER 4 H SER 4 3.289 -0.714 -9.898 41 HA SER 4 HA SER 4 0.600 -1.798 -10.193 42 HB2 SER 4 2HB SER 4 3.183 -3.175 -10.927 43 HB3 SER 4 3HB SER 4 1.566 -3.488 -11.557 44 HG SER 4 HG SER 4 2.956 -1.042 -11.913 45 H GLY 5 H GLY 5 3.685 -3.093 -8.939 46 HA2 GLY 5 2HA GLY 5 3.380 -3.689 -6.432 47 HA3 GLY 5 3HA GLY 5 2.132 -4.748 -7.071 48 H VAL 6 H VAL 6 3.101 -6.000 -9.137 49 HA VAL 6 HA VAL 6 5.689 -7.131 -8.292 50 HB VAL 6 HB VAL 6 3.282 -8.642 -9.318 51 HG11 VAL 6 1HG1 VAL 6 4.977 -9.850 -10.274 52 HG12 VAL 6 2HG1 VAL 6 6.148 -9.398 -9.035 53 HG13 VAL 6 3HG1 VAL 6 4.912 -10.606 -8.682 54 HG21 VAL 6 1HG2 VAL 6 3.241 -7.959 -6.924 55 HG22 VAL 6 2HG2 VAL 6 3.247 -9.706 -7.166 56 HG23 VAL 6 3HG2 VAL 6 4.727 -8.877 -6.681 57 H ILE 7 H ILE 7 3.645 -8.034 -11.021 58 HA ILE 7 HA ILE 7 5.464 -6.711 -12.886 59 HB ILE 7 HB ILE 7 4.842 -9.661 -13.071 60 HG12 ILE 7 2HG1 ILE 7 7.489 -8.299 -12.533 61 HG13 ILE 7 3HG1 ILE 7 6.492 -9.054 -11.294 62 HG21 ILE 7 1HG2 ILE 7 4.993 -8.603 -15.250 63 HG22 ILE 7 2HG2 ILE 7 6.538 -7.878 -14.812 64 HG23 ILE 7 3HG2 ILE 7 6.400 -9.628 -14.969 65 HD11 ILE 7 1HD1 ILE 7 6.735 -11.207 -12.423 66 HD12 ILE 7 2HD1 ILE 7 7.753 -10.444 -13.645 67 HD13 ILE 7 3HD1 ILE 7 8.293 -10.520 -11.968 68 HA PRO 8 HA PRO 8 1.293 -6.017 -14.445 69 HB2 PRO 8 2HB PRO 8 2.016 -3.999 -16.111 70 HB3 PRO 8 3HB PRO 8 1.766 -3.770 -14.376 71 HG2 PRO 8 2HG PRO 8 4.324 -4.128 -15.890 72 HG3 PRO 8 3HG PRO 8 3.950 -2.997 -14.576 73 HD2 PRO 8 2HD PRO 8 5.319 -5.298 -14.172 74 HD3 PRO 8 3HD PRO 8 4.243 -4.598 -12.945 75 H DBB 9 H DBB 9 0.999 -7.899 -15.633 76 HA DBB 9 HA DBB 9 2.029 -7.840 -18.428 77 HB2 DBB 9 3HB DBB 9 -0.500 -9.222 -17.452 78 HG1 DBB 9 1HG DBB 9 -0.663 -6.793 -16.984 79 HG2 DBB 9 2HG DBB 9 -0.183 -6.439 -18.661 80 HG3 DBB 9 3HG DBB 9 -1.729 -7.257 -18.332 81 H VAL 10 H VAL 10 0.553 -10.224 -16.220 82 HA VAL 10 HA VAL 10 2.559 -12.173 -17.099 83 HB VAL 10 HB VAL 10 1.916 -11.553 -14.214 84 HG11 VAL 10 1HG1 VAL 10 2.321 -13.693 -13.771 85 HG12 VAL 10 2HG1 VAL 10 2.738 -14.020 -15.455 86 HG13 VAL 10 3HG1 VAL 10 3.972 -13.439 -14.336 87 HG21 VAL 10 1HG2 VAL 10 4.449 -11.307 -14.143 88 HG22 VAL 10 2HG2 VAL 10 4.385 -11.268 -15.905 89 HG23 VAL 10 3HG2 VAL 10 3.548 -10.033 -14.965 90 H DAL 11 H DAL 11 0.405 -12.559 -14.367 91 HA DAL 11 HA DAL 11 -1.967 -13.464 -15.199 92 HB1 DAL 11 2HB DAL 11 -0.910 -13.733 -12.867 93 HB2 DAL 11 3HB DAL 11 -2.011 -15.030 -13.389 94 H HIS 12 H HIS 12 -2.801 -14.967 -16.514 95 HA HIS 12 HA HIS 12 -0.988 -17.022 -17.596 96 HB2 HIS 12 2HB HIS 12 -3.882 -17.055 -16.882 97 HB3 HIS 12 3HB HIS 12 -3.360 -18.038 -18.247 98 HD1 HIS 12 HD1 HIS 12 -0.737 -19.162 -17.229 99 HD2 HIS 12 HD2 HIS 12 -4.149 -18.857 -14.878 100 HE1 HIS 12 HE1 HIS 12 -0.447 -20.863 -15.399 101 H ASP 13 H ASP 13 -3.443 -14.628 -18.387 102 HA ASP 13 HA ASP 13 -2.797 -14.968 -21.240 103 HB2 ASP 13 2HB ASP 13 -5.248 -13.700 -19.999 104 HB3 ASP 13 3HB ASP 13 -4.955 -13.915 -21.723 105 H CYS 14 H CYS 14 -3.366 -12.560 -18.705 106 HA CYS 14 HA CYS 14 -2.696 -10.399 -18.469 107 HB2 CYS 14 2HB CYS 14 -0.458 -11.160 -18.536 108 HB3 CYS 14 3HB CYS 14 -0.531 -11.474 -20.267 109 H HIS 15 H HIS 15 -4.371 -9.257 -19.330 110 HA HIS 15 HA HIS 15 -4.251 -8.633 -22.203 111 HB2 HIS 15 2HB HIS 15 -6.600 -8.288 -20.330 112 HB3 HIS 15 3HB HIS 15 -6.610 -8.098 -22.081 113 HD1 HIS 15 HD1 HIS 15 -6.642 -10.249 -23.507 114 HD2 HIS 15 HD2 HIS 15 -6.668 -10.933 -19.409 115 HE1 HIS 15 HE1 HIS 15 -7.229 -12.679 -23.235 116 H MET 16 H MET 16 -2.689 -7.379 -20.004 117 HA MET 16 HA MET 16 -1.959 -5.310 -19.410 118 HB2 MET 16 2HB MET 16 -3.216 -4.942 -22.032 119 HB3 MET 16 3HB MET 16 -3.157 -3.473 -21.068 120 HG2 MET 16 2HG MET 16 -0.639 -4.863 -20.971 121 HG3 MET 16 3HG MET 16 -1.129 -4.554 -22.635 122 HE1 MET 16 1HE MET 16 1.454 -1.903 -20.709 123 HE2 MET 16 2HE MET 16 1.238 -3.653 -20.688 124 HE3 MET 16 3HE MET 16 1.512 -2.817 -22.217 125 H ASN 17 H ASN 17 -2.814 -4.943 -17.432 126 HA ASN 17 HA ASN 17 -4.779 -2.963 -17.101 127 HB2 ASN 17 2HB ASN 17 -5.740 -5.740 -17.178 128 HB3 ASN 17 3HB ASN 17 -6.246 -4.842 -15.750 129 HD21 ASN 17 1HD2 ASN 17 -7.858 -5.825 -17.935 130 HD22 ASN 17 2HD2 ASN 17 -8.632 -4.448 -18.634 131 H DAL 18 H DAL 18 -2.815 -2.405 -15.891 132 HA DAL 18 HA DAL 18 -1.574 -2.172 -13.943 133 HB1 DAL 18 2HB DAL 18 -0.757 -4.167 -13.269 134 HB2 DAL 18 3HB DAL 18 -2.320 -4.577 -12.524 135 H PHE 19 H PHE 19 -4.247 -4.219 -12.795 136 HA PHE 19 HA PHE 19 -5.412 -1.905 -11.433 137 HB2 PHE 19 2HB PHE 19 -6.441 -4.615 -12.201 138 HB3 PHE 19 3HB PHE 19 -7.237 -3.709 -10.918 139 HD1 PHE 19 HD1 PHE 19 -5.780 -2.739 -14.214 140 HD2 PHE 19 HD2 PHE 19 -9.199 -2.805 -11.681 141 HE1 PHE 19 HE1 PHE 19 -7.049 -1.476 -15.901 142 HE2 PHE 19 HE2 PHE 19 -10.475 -1.543 -13.364 143 HZ PHE 19 HZ PHE 19 -9.401 -0.878 -15.478 144 H GLN 20 H GLN 20 -4.512 -5.277 -10.715 145 HA GLN 20 HA GLN 20 -3.187 -4.713 -8.328 146 HB2 GLN 20 2HB GLN 20 -6.034 -4.655 -8.070 147 HB3 GLN 20 3HB GLN 20 -5.419 -6.053 -7.198 148 HG2 GLN 20 2HG GLN 20 -3.987 -4.676 -5.867 149 HG3 GLN 20 3HG GLN 20 -4.378 -3.255 -6.835 150 HE21 GLN 20 1HE2 GLN 20 -6.973 -3.145 -7.033 151 HE22 GLN 20 2HE2 GLN 20 -7.755 -3.108 -5.492 152 H PHE 21 H PHE 21 -2.878 -6.733 -6.967 153 HA PHE 21 HA PHE 21 -2.934 -9.095 -8.728 154 HB2 PHE 21 2HB PHE 21 -0.875 -8.182 -6.724 155 HB3 PHE 21 3HB PHE 21 -0.927 -9.836 -7.324 156 HD1 PHE 21 HD1 PHE 21 -0.064 -10.396 -9.443 157 HD2 PHE 21 HD2 PHE 21 -0.477 -6.311 -8.322 158 HE1 PHE 21 HE1 PHE 21 1.261 -9.727 -11.405 159 HE2 PHE 21 HE2 PHE 21 0.846 -5.635 -10.283 160 HZ PHE 21 HZ PHE 21 1.716 -7.344 -11.828 161 H VAL 22 H VAL 22 -5.066 -9.529 -7.818 162 HA VAL 22 HA VAL 22 -5.287 -10.173 -5.021 163 HB VAL 22 HB VAL 22 -7.555 -11.015 -5.647 164 HG11 VAL 22 1HG1 VAL 22 -6.548 -8.338 -5.728 165 HG12 VAL 22 2HG1 VAL 22 -7.903 -8.493 -6.848 166 HG13 VAL 22 3HG1 VAL 22 -8.108 -8.923 -5.150 167 HG21 VAL 22 1HG2 VAL 22 -7.314 -9.813 -8.339 168 HG22 VAL 22 2HG2 VAL 22 -6.582 -11.401 -8.110 169 HG23 VAL 22 3HG2 VAL 22 -8.299 -11.166 -7.784 170 H PHE 23 H PHE 23 -4.323 -11.818 -7.859 171 HA PHE 23 HA PHE 23 -4.091 -14.303 -6.342 172 HB2 PHE 23 2HB PHE 23 -5.312 -14.188 -9.108 173 HB3 PHE 23 3HB PHE 23 -4.992 -15.647 -8.177 174 HD1 PHE 23 HD1 PHE 23 -6.078 -15.565 -5.724 175 HD2 PHE 23 HD2 PHE 23 -7.467 -13.426 -9.132 176 HE1 PHE 23 HE1 PHE 23 -8.315 -15.409 -4.710 177 HE2 PHE 23 HE2 PHE 23 -9.705 -13.266 -8.124 178 HZ PHE 23 HZ PHE 23 -10.131 -14.257 -5.910 179 H DBU 24 H DBU 24 -2.430 -12.061 -7.681 180 HB DBU 24 HB DBU 24 1.235 -13.028 -8.713 181 HG1 DBU 24 1HG DBU 24 1.626 -13.441 -6.414 182 HG2 DBU 24 2HG DBU 24 0.055 -14.252 -6.371 183 HG3 DBU 24 3HG DBU 24 0.164 -12.509 -6.066 184 H CYS 25 H CYS 25 -2.494 -11.498 -10.044 185 HA CYS 25 HA CYS 25 -0.953 -11.773 -12.529 186 HB2 CYS 25 2HB CYS 25 -3.960 -11.929 -12.517 187 HB3 CYS 25 3HB CYS 25 -2.847 -12.354 -13.813 188 H CYS 26 H CYS 26 -2.421 -10.332 -14.245 189 HA CYS 26 HA CYS 26 -2.870 -7.736 -12.936 190 HB2 CYS 26 2HB CYS 26 -0.606 -8.029 -14.171 191 HB3 CYS 26 3HB CYS 26 -1.572 -7.928 -15.640 192 H SER 27 H SER 27 -4.994 -9.267 -13.402 193 HA SER 27 HA SER 27 -6.613 -7.721 -15.085 194 HB2 SER 27 2HB SER 27 -5.112 -9.638 -16.512 195 HB3 SER 27 3HB SER 27 -6.759 -10.264 -16.430 196 HG SER 27 HG SER 27 -7.422 -8.135 -17.184 Start of MODEL 20 1 H1 LYS 1 H LYS 1 -0.454 -1.199 -9.668 2 HA LYS 1 HA LYS 1 1.927 -1.707 -9.801 3 HB2 LYS 1 2HB LYS 1 0.630 -0.177 -11.596 4 HB3 LYS 1 3HB LYS 1 1.879 0.958 -11.103 5 HG2 LYS 1 2HG LYS 1 3.588 -0.736 -11.654 6 HG3 LYS 1 3HG LYS 1 2.305 -1.800 -12.235 7 HD2 LYS 1 2HD LYS 1 2.502 -0.827 -14.227 8 HD3 LYS 1 3HD LYS 1 1.870 0.655 -13.504 9 HE2 LYS 1 2HE LYS 1 4.784 -0.099 -13.441 10 HE3 LYS 1 3HE LYS 1 4.069 0.869 -14.728 11 HZ1 LYS 1 1HZ LYS 1 4.752 1.616 -12.029 12 HZ2 LYS 1 2HZ LYS 1 3.217 2.136 -12.512 13 HZ3 LYS 1 3HZ LYS 1 4.580 2.581 -13.409 14 H LYS 2 H LYS 2 1.377 -0.254 -7.269 15 HA LYS 2 HA LYS 2 3.999 1.045 -7.039 16 HB2 LYS 2 2HB LYS 2 1.661 2.487 -7.037 17 HB3 LYS 2 3HB LYS 2 1.926 2.212 -5.320 18 HG2 LYS 2 2HG LYS 2 3.077 4.151 -5.568 19 HG3 LYS 2 3HG LYS 2 4.370 3.007 -5.937 20 HD2 LYS 2 2HD LYS 2 4.334 3.481 -8.183 21 HD3 LYS 2 3HD LYS 2 2.638 3.972 -8.161 22 HE2 LYS 2 2HE LYS 2 4.694 5.585 -6.705 23 HE3 LYS 2 3HE LYS 2 4.499 5.766 -8.448 24 HZ1 LYS 2 1HZ LYS 2 2.645 6.467 -6.288 25 HZ2 LYS 2 2HZ LYS 2 2.000 6.007 -7.782 26 HZ3 LYS 2 3HZ LYS 2 3.047 7.332 -7.685 27 H LYS 3 H LYS 3 1.209 0.189 -4.982 28 HA LYS 3 HA LYS 3 2.598 -0.335 -2.654 29 HB2 LYS 3 2HB LYS 3 0.676 -1.570 -1.914 30 HB3 LYS 3 3HB LYS 3 0.113 -0.221 -2.891 31 HG2 LYS 3 2HG LYS 3 0.027 -1.869 -4.828 32 HG3 LYS 3 3HG LYS 3 0.209 -3.131 -3.608 33 HD2 LYS 3 2HD LYS 3 -1.867 -1.088 -3.095 34 HD3 LYS 3 3HD LYS 3 -2.174 -2.203 -4.428 35 HE2 LYS 3 2HE LYS 3 -2.292 -4.031 -3.050 36 HE3 LYS 3 3HE LYS 3 -1.232 -3.319 -1.835 37 HZ1 LYS 3 1HZ LYS 3 -2.943 -2.198 -0.864 38 HZ2 LYS 3 2HZ LYS 3 -3.795 -3.544 -1.432 39 HZ3 LYS 3 3HZ LYS 3 -3.850 -2.085 -2.287 40 H SER 4 H SER 4 2.203 -2.338 -5.489 41 HA SER 4 HA SER 4 4.069 -4.276 -4.311 42 HB2 SER 4 2HB SER 4 1.829 -5.261 -4.172 43 HB3 SER 4 3HB SER 4 1.585 -4.979 -5.896 44 HG SER 4 HG SER 4 3.683 -6.570 -4.843 45 H GLY 5 H GLY 5 2.356 -3.956 -7.422 46 HA2 GLY 5 2HA GLY 5 3.143 -3.880 -9.576 47 HA3 GLY 5 3HA GLY 5 4.484 -2.954 -8.919 48 H VAL 6 H VAL 6 3.504 -6.341 -8.449 49 HA VAL 6 HA VAL 6 6.022 -7.436 -8.323 50 HB VAL 6 HB VAL 6 3.510 -8.679 -9.444 51 HG11 VAL 6 1HG1 VAL 6 6.243 -9.754 -9.069 52 HG12 VAL 6 2HG1 VAL 6 4.899 -10.790 -8.584 53 HG13 VAL 6 3HG1 VAL 6 5.001 -10.194 -10.241 54 HG21 VAL 6 1HG2 VAL 6 4.776 -8.694 -6.711 55 HG22 VAL 6 2HG2 VAL 6 3.203 -8.040 -7.167 56 HG23 VAL 6 3HG2 VAL 6 3.474 -9.782 -7.192 57 H ILE 7 H ILE 7 4.063 -8.148 -11.180 58 HA ILE 7 HA ILE 7 6.213 -7.237 -12.932 59 HB ILE 7 HB ILE 7 5.152 -10.064 -12.976 60 HG12 ILE 7 2HG1 ILE 7 6.874 -9.603 -11.248 61 HG13 ILE 7 3HG1 ILE 7 7.437 -10.723 -12.483 62 HG21 ILE 7 1HG2 ILE 7 7.229 -9.965 -14.750 63 HG22 ILE 7 2HG2 ILE 7 5.519 -9.914 -15.178 64 HG23 ILE 7 3HG2 ILE 7 6.433 -8.415 -15.018 65 HD11 ILE 7 1HD1 ILE 7 9.151 -9.411 -12.952 66 HD12 ILE 7 2HD1 ILE 7 8.084 -8.033 -13.227 67 HD13 ILE 7 3HD1 ILE 7 8.674 -8.381 -11.602 68 HA PRO 8 HA PRO 8 2.486 -5.894 -15.000 69 HB2 PRO 8 2HB PRO 8 3.763 -4.490 -16.941 70 HB3 PRO 8 3HB PRO 8 3.551 -3.880 -15.295 71 HG2 PRO 8 2HG PRO 8 5.943 -5.180 -16.541 72 HG3 PRO 8 3HG PRO 8 5.867 -3.764 -15.476 73 HD2 PRO 8 2HD PRO 8 6.549 -6.226 -14.579 74 HD3 PRO 8 3HD PRO 8 5.682 -5.049 -13.572 75 H DBB 9 H DBB 9 2.348 -8.299 -15.556 76 HA DBB 9 HA DBB 9 3.081 -8.787 -18.399 77 HB2 DBB 9 3HB DBB 9 0.673 -10.172 -17.893 78 HG1 DBB 9 1HG DBB 9 0.479 -7.269 -16.974 79 HG2 DBB 9 2HG DBB 9 -0.862 -8.431 -17.115 80 HG3 DBB 9 3HG DBB 9 0.406 -8.679 -15.890 81 H VAL 10 H VAL 10 1.765 -10.306 -15.449 82 HA VAL 10 HA VAL 10 3.574 -12.580 -15.939 83 HB VAL 10 HB VAL 10 4.191 -11.539 -13.891 84 HG11 VAL 10 1HG1 VAL 10 1.973 -11.733 -12.195 85 HG12 VAL 10 2HG1 VAL 10 2.718 -10.262 -12.823 86 HG13 VAL 10 3HG1 VAL 10 1.372 -11.008 -13.686 87 HG21 VAL 10 1HG2 VAL 10 2.557 -13.638 -12.647 88 HG22 VAL 10 2HG2 VAL 10 3.495 -14.158 -14.047 89 HG23 VAL 10 3HG2 VAL 10 4.307 -13.422 -12.665 90 H DAL 11 H DAL 11 0.296 -11.611 -15.230 91 HA DAL 11 HA DAL 11 -1.716 -12.763 -15.183 92 HB1 DAL 11 2HB DAL 11 -1.769 -14.890 -14.113 93 HB2 DAL 11 3HB DAL 11 -0.110 -15.280 -14.624 94 H HIS 12 H HIS 12 -2.967 -14.102 -16.541 95 HA HIS 12 HA HIS 12 -1.557 -15.414 -18.751 96 HB2 HIS 12 2HB HIS 12 -4.368 -15.623 -17.690 97 HB3 HIS 12 3HB HIS 12 -3.926 -16.270 -19.266 98 HD1 HIS 12 HD1 HIS 12 -2.856 -18.534 -19.306 99 HD2 HIS 12 HD2 HIS 12 -2.963 -16.892 -15.491 100 HE1 HIS 12 HE1 HIS 12 -2.093 -20.367 -17.763 101 H ASP 13 H ASP 13 -4.569 -13.526 -18.427 102 HA ASP 13 HA ASP 13 -4.418 -12.627 -21.144 103 HB2 ASP 13 2HB ASP 13 -6.208 -11.657 -18.906 104 HB3 ASP 13 3HB ASP 13 -6.437 -11.355 -20.626 105 H CYS 14 H CYS 14 -2.379 -11.577 -21.205 106 HA CYS 14 HA CYS 14 -2.260 -9.015 -19.761 107 HB2 CYS 14 2HB CYS 14 -0.400 -10.749 -19.469 108 HB3 CYS 14 3HB CYS 14 0.060 -10.371 -21.126 109 H HIS 15 H HIS 15 -2.782 -7.296 -20.923 110 HA HIS 15 HA HIS 15 -1.870 -7.116 -23.699 111 HB2 HIS 15 2HB HIS 15 -4.130 -6.069 -24.265 112 HB3 HIS 15 3HB HIS 15 -4.100 -7.817 -24.053 113 HD1 HIS 15 HD1 HIS 15 -4.993 -8.678 -21.657 114 HD2 HIS 15 HD2 HIS 15 -5.915 -4.757 -22.675 115 HE1 HIS 15 HE1 HIS 15 -6.869 -8.007 -20.121 116 H MET 16 H MET 16 -3.360 -5.444 -20.949 117 HA MET 16 HA MET 16 -1.501 -3.338 -20.964 118 HB2 MET 16 2HB MET 16 -3.030 -2.917 -23.056 119 HB3 MET 16 3HB MET 16 -4.174 -2.329 -21.857 120 HG2 MET 16 2HG MET 16 -2.823 -0.551 -21.249 121 HG3 MET 16 3HG MET 16 -1.368 -1.308 -21.893 122 HE1 MET 16 1HE MET 16 -4.109 1.598 -23.956 123 HE2 MET 16 2HE MET 16 -4.688 0.535 -22.673 124 HE3 MET 16 3HE MET 16 -3.364 1.658 -22.358 125 H ASN 17 H ASN 17 -1.840 -4.410 -18.803 126 HA ASN 17 HA ASN 17 -3.578 -2.714 -17.210 127 HB2 ASN 17 2HB ASN 17 -3.750 -5.703 -16.844 128 HB3 ASN 17 3HB ASN 17 -4.775 -4.460 -16.133 129 HD21 ASN 17 1HD2 ASN 17 -6.605 -3.950 -17.128 130 HD22 ASN 17 2HD2 ASN 17 -7.059 -4.466 -18.714 131 H DAL 18 H DAL 18 -3.348 -3.966 -14.782 132 HA DAL 18 HA DAL 18 -0.407 -3.925 -14.313 133 HB1 DAL 18 2HB DAL 18 -0.578 -6.041 -13.536 134 HB2 DAL 18 3HB DAL 18 -1.630 -5.424 -12.240 135 H PHE 19 H PHE 19 -3.340 -4.072 -12.295 136 HA PHE 19 HA PHE 19 -2.599 -1.468 -11.151 137 HB2 PHE 19 2HB PHE 19 -5.256 -2.880 -10.884 138 HB3 PHE 19 3HB PHE 19 -4.891 -1.200 -10.502 139 HD1 PHE 19 HD1 PHE 19 -4.957 0.477 -12.162 140 HD2 PHE 19 HD2 PHE 19 -5.288 -3.623 -13.255 141 HE1 PHE 19 HE1 PHE 19 -5.628 1.140 -14.434 142 HE2 PHE 19 HE2 PHE 19 -5.959 -2.967 -15.529 143 HZ PHE 19 HZ PHE 19 -6.129 -0.582 -16.121 144 H GLN 20 H GLN 20 -3.645 -4.738 -10.276 145 HA GLN 20 HA GLN 20 -2.043 -4.701 -7.904 146 HB2 GLN 20 2HB GLN 20 -4.734 -3.807 -7.688 147 HB3 GLN 20 3HB GLN 20 -4.634 -5.385 -6.920 148 HG2 GLN 20 2HG GLN 20 -2.690 -4.533 -5.605 149 HG3 GLN 20 3HG GLN 20 -3.020 -2.935 -6.270 150 HE21 GLN 20 1HE2 GLN 20 -4.621 -1.725 -5.420 151 HE22 GLN 20 2HE2 GLN 20 -5.617 -2.217 -4.097 152 H PHE 21 H PHE 21 -1.610 -6.740 -7.154 153 HA PHE 21 HA PHE 21 -2.689 -8.930 -8.777 154 HB2 PHE 21 2HB PHE 21 -0.292 -8.964 -6.934 155 HB3 PHE 21 3HB PHE 21 -0.743 -10.201 -8.103 156 HD1 PHE 21 HD1 PHE 21 0.047 -10.110 -10.290 157 HD2 PHE 21 HD2 PHE 21 0.315 -6.657 -7.816 158 HE1 PHE 21 HE1 PHE 21 1.420 -8.995 -12.001 159 HE2 PHE 21 HE2 PHE 21 1.688 -5.537 -9.522 160 HZ PHE 21 HZ PHE 21 2.242 -6.705 -11.618 161 H VAL 22 H VAL 22 -4.050 -10.373 -7.950 162 HA VAL 22 HA VAL 22 -4.880 -10.157 -5.200 163 HB VAL 22 HB VAL 22 -5.760 -12.075 -7.362 164 HG11 VAL 22 1HG1 VAL 22 -6.769 -13.217 -5.744 165 HG12 VAL 22 2HG1 VAL 22 -6.266 -12.039 -4.530 166 HG13 VAL 22 3HG1 VAL 22 -7.763 -11.794 -5.431 167 HG21 VAL 22 1HG2 VAL 22 -7.717 -10.651 -7.557 168 HG22 VAL 22 2HG2 VAL 22 -7.095 -9.587 -6.296 169 HG23 VAL 22 3HG2 VAL 22 -6.252 -9.711 -7.839 170 H PHE 23 H PHE 23 -4.160 -13.114 -7.038 171 HA PHE 23 HA PHE 23 -2.804 -14.160 -4.645 172 HB2 PHE 23 2HB PHE 23 -4.000 -15.747 -6.923 173 HB3 PHE 23 3HB PHE 23 -3.392 -16.379 -5.396 174 HD1 PHE 23 HD1 PHE 23 -4.559 -14.613 -3.422 175 HD2 PHE 23 HD2 PHE 23 -6.258 -16.192 -6.990 176 HE1 PHE 23 HE1 PHE 23 -6.806 -14.405 -2.440 177 HE2 PHE 23 HE2 PHE 23 -8.508 -15.986 -6.015 178 HZ PHE 23 HZ PHE 23 -8.784 -15.090 -3.738 179 H DBU 24 H DBU 24 -1.666 -12.488 -6.842 180 HB DBU 24 HB DBU 24 2.023 -13.801 -7.919 181 HG1 DBU 24 1HG DBU 24 0.707 -14.227 -5.169 182 HG2 DBU 24 2HG DBU 24 2.425 -14.185 -5.587 183 HG3 DBU 24 3HG DBU 24 1.430 -15.577 -6.052 184 H CYS 25 H CYS 25 -1.727 -13.745 -9.484 185 HA CYS 25 HA CYS 25 -0.192 -12.501 -11.599 186 HB2 CYS 25 2HB CYS 25 -2.864 -13.901 -11.529 187 HB3 CYS 25 3HB CYS 25 -2.234 -13.134 -12.984 188 H CYS 26 H CYS 26 -1.880 -11.244 -13.202 189 HA CYS 26 HA CYS 26 -2.761 -8.946 -11.597 190 HB2 CYS 26 2HB CYS 26 -1.033 -8.541 -13.338 191 HB3 CYS 26 3HB CYS 26 -2.177 -9.080 -14.562 192 H SER 27 H SER 27 -4.822 -9.580 -11.026 193 HA SER 27 HA SER 27 -7.069 -9.863 -11.234 194 HB2 SER 27 2HB SER 27 -6.580 -7.771 -12.747 195 HB3 SER 27 3HB SER 27 -6.975 -8.876 -14.063 196 HG SER 27 HG SER 27 -8.965 -8.414 -13.599
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