NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
583765 | 2mtu | 25187 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 -1.789 3.446 -7.898 2 H2 GLY 1 HT2 GLY 1 -0.092 3.472 -7.972 3 H3 GLY 1 HT3 GLY 1 -0.876 2.802 -6.622 4 HA2 GLY 1 HA2 GLY 1 -1.757 1.547 -9.012 5 HA3 GLY 1 HA1 GLY 1 -0.002 1.458 -8.856 6 H CYS 2 H CYS 2 0.561 1.152 -6.313 7 HA CYS 2 HA CYS 2 -0.874 -1.308 -5.529 8 HB2 CYS 2 HB2 CYS 2 1.096 -2.006 -4.467 9 HB3 CYS 2 HB1 CYS 2 1.588 -1.381 -6.031 10 H ABA 3 H ABA 3 -2.151 0.908 -4.890 11 HA ABA 3 HA ABA 3 -1.480 1.813 -2.217 12 HB3 ABA 3 HB1 ABA 3 -4.145 2.391 -3.420 13 HB2 ABA 3 HB2 ABA 3 -2.727 3.092 -4.198 14 HG1 ABA 3 HG ABA 3 -2.494 4.624 -2.407 15 H SER 4 H SER 4 -3.970 -0.186 -3.750 16 HA SER 4 HA SER 4 -5.324 -0.758 -1.275 17 HB2 SER 4 HB2 SER 4 -6.686 -2.253 -2.584 18 HB3 SER 4 HB1 SER 4 -6.420 -0.794 -3.534 19 HG SER 4 HG SER 4 -4.543 -2.825 -3.796 20 H ASP 5 H ASP 5 -2.484 -1.904 -2.749 21 HA ASP 5 HA ASP 5 -2.655 -4.568 -1.672 22 HB2 ASP 5 HB2 ASP 5 -0.358 -3.124 -2.960 23 HB3 ASP 5 HB1 ASP 5 -0.377 -4.836 -2.522 24 HA PRO 6 HA PRO 6 -0.977 -3.046 2.272 25 HB2 PRO 6 HB2 PRO 6 -1.139 -5.391 3.659 26 HB3 PRO 6 HB1 PRO 6 -2.552 -4.372 3.322 27 HG2 PRO 6 HG2 PRO 6 -1.654 -6.867 1.981 28 HG3 PRO 6 HG1 PRO 6 -3.292 -6.311 2.364 29 HD2 PRO 6 HD2 PRO 6 -2.147 -6.128 -0.140 30 HD3 PRO 6 HD1 PRO 6 -3.469 -5.085 0.437 31 H ARG 7 H ARG 7 0.274 -5.554 0.280 32 HA ARG 7 HA ARG 7 2.651 -6.022 1.847 33 HB2 ARG 7 HB2 ARG 7 1.957 -6.809 -0.998 34 HB3 ARG 7 HB1 ARG 7 3.351 -7.391 -0.091 35 HG2 ARG 7 HG2 ARG 7 0.592 -7.704 1.062 36 HG3 ARG 7 HG1 ARG 7 1.166 -8.849 -0.148 37 HD2 ARG 7 HD2 ARG 7 2.562 -8.204 2.473 38 HD3 ARG 7 HD1 ARG 7 1.643 -9.662 2.132 39 HE ARG 7 HE ARG 7 4.313 -9.035 1.178 40 HH11 ARG 7 1HH2 ARG 7 1.429 -10.911 0.810 41 HH12 ARG 7 2HH2 ARG 7 2.210 -12.197 -0.047 42 HH21 ARG 7 1HH1 ARG 7 5.345 -10.717 0.055 43 HH22 ARG 7 2HH1 ARG 7 4.426 -12.087 -0.475 44 H CYS 8 H CYS 8 1.618 -3.600 -0.298 45 HA CYS 8 HA CYS 8 4.211 -3.008 -1.440 46 HB2 CYS 8 HB2 CYS 8 1.773 -2.435 -2.294 47 HB3 CYS 8 HB1 CYS 8 2.012 -0.986 -1.321 48 H ARG 9 H ARG 9 5.464 -1.114 -0.982 49 HA ARG 9 HA ARG 9 5.943 -0.653 1.736 50 HB2 ARG 9 HB2 ARG 9 7.601 -0.251 -0.064 51 HB3 ARG 9 HB1 ARG 9 6.648 1.128 -0.611 52 HG2 ARG 9 HG2 ARG 9 6.952 2.240 1.537 53 HG3 ARG 9 HG1 ARG 9 7.812 0.837 2.168 54 HD2 ARG 9 HD2 ARG 9 9.570 1.143 0.474 55 HD3 ARG 9 HD1 ARG 9 8.704 2.528 -0.185 56 HE ARG 9 HE ARG 9 9.132 2.999 2.551 57 HH11 ARG 9 1HH2 ARG 9 10.894 2.595 -0.399 58 HH12 ARG 9 2HH2 ARG 9 12.208 3.615 0.084 59 HH21 ARG 9 1HH1 ARG 9 10.851 4.337 3.193 60 HH22 ARG 9 2HH1 ARG 9 12.184 4.600 2.118 61 H TYR 10 H TYR 10 4.141 1.263 -0.655 62 HA TYR 10 HA TYR 10 3.273 3.091 1.478 63 HB2 TYR 10 HB2 TYR 10 4.103 4.126 -0.581 64 HB3 TYR 10 HB1 TYR 10 2.911 3.233 -1.525 65 HD1 TYR 10 HD2 TYR 10 3.194 5.630 1.336 66 HD2 TYR 10 HD1 TYR 10 0.774 4.140 -1.885 67 HE1 TYR 10 HE2 TYR 10 1.517 7.401 1.778 68 HE2 TYR 10 HE1 TYR 10 -0.902 5.912 -1.444 69 HH TYR 10 HH TYR 10 -1.096 8.041 -0.401 70 H ARG 11 H ARG 11 1.403 2.727 2.471 71 HA ARG 11 HA ARG 11 -0.668 1.142 1.072 72 HB2 ARG 11 HB2 ARG 11 0.225 0.045 3.088 73 HB3 ARG 11 HB1 ARG 11 -0.199 1.462 4.047 74 HG2 ARG 11 HG2 ARG 11 -2.561 1.149 3.565 75 HG3 ARG 11 HG1 ARG 11 -2.195 -0.165 2.448 76 HD2 ARG 11 HD2 ARG 11 -2.915 -1.073 4.607 77 HD3 ARG 11 HD1 ARG 11 -1.223 -1.466 4.319 78 HE ARG 11 HE ARG 11 -1.486 0.977 5.783 79 HH11 ARG 11 1HH2 ARG 11 -1.663 -2.472 6.007 80 HH12 ARG 11 2HH2 ARG 11 -1.238 -2.523 7.685 81 HH21 ARG 11 1HH1 ARG 11 -0.928 0.918 7.985 82 HH22 ARG 11 2HH1 ARG 11 -0.822 -0.604 8.805 83 H ABA 12 H ABA 12 -2.608 2.039 0.727 84 HA ABA 12 HA ABA 12 -3.220 4.603 2.071 85 HB3 ABA 12 HB1 ABA 12 -2.730 5.162 -0.183 86 HB2 ABA 12 HB2 ABA 12 -4.488 5.152 -0.060 87 HG1 ABA 12 HG ABA 12 -4.201 2.602 -0.875 88 H ARG 13 H ARG 13 -5.744 5.042 1.392 89 HA ARG 13 HA ARG 13 -7.909 4.507 1.944 90 HB2 ARG 13 HB2 ARG 13 -7.524 2.916 0.026 91 HB3 ARG 13 HB1 ARG 13 -7.130 1.677 1.218 92 HG2 ARG 13 HG2 ARG 13 -9.360 2.062 2.284 93 HG3 ARG 13 HG1 ARG 13 -9.752 3.180 0.977 94 HD2 ARG 13 HD2 ARG 13 -9.015 0.261 0.617 95 HD3 ARG 13 HD1 ARG 13 -10.650 0.909 0.545 96 HE ARG 13 HE ARG 13 -8.576 1.197 -1.484 97 HH11 ARG 13 1HH2 ARG 13 -11.619 2.228 -0.196 98 HH12 ARG 13 2HH2 ARG 13 -12.169 2.922 -1.684 99 HH21 ARG 13 1HH1 ARG 13 -9.291 2.107 -3.437 100 HH22 ARG 13 2HH1 ARG 13 -10.851 2.855 -3.518 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 -3.079 3.915 -6.598 2 H2 GLY 1 HT2 GLY 1 -2.047 5.109 -7.230 3 H3 GLY 1 HT3 GLY 1 -2.964 5.426 -5.835 4 HA2 GLY 1 HA2 GLY 1 -0.379 4.497 -5.931 5 HA3 GLY 1 HA1 GLY 1 -1.422 4.578 -4.509 6 H CYS 2 H CYS 2 -0.126 2.636 -3.902 7 HA CYS 2 HA CYS 2 -1.081 0.174 -5.226 8 HB2 CYS 2 HB2 CYS 2 0.792 -0.918 -4.053 9 HB3 CYS 2 HB1 CYS 2 1.318 0.335 -5.173 10 H ABA 3 H ABA 3 -2.924 1.294 -3.727 11 HA ABA 3 HA ABA 3 -2.870 0.397 -0.984 12 HB3 ABA 3 HB1 ABA 3 -5.111 1.282 -0.836 13 HB2 ABA 3 HB2 ABA 3 -5.235 1.381 -2.592 14 HG1 ABA 3 HG ABA 3 -3.506 3.189 -2.612 15 H SER 4 H SER 4 -3.909 -0.856 -4.042 16 HA SER 4 HA SER 4 -5.807 -2.750 -3.170 17 HB2 SER 4 HB2 SER 4 -5.393 -3.866 -5.304 18 HB3 SER 4 HB1 SER 4 -5.478 -2.122 -5.540 19 HG SER 4 HG SER 4 -3.227 -2.068 -5.582 20 H ASP 5 H ASP 5 -2.293 -2.770 -3.204 21 HA ASP 5 HA ASP 5 -2.324 -5.544 -2.242 22 HB2 ASP 5 HB2 ASP 5 -0.033 -3.931 -3.345 23 HB3 ASP 5 HB1 ASP 5 0.064 -5.600 -2.772 24 HA PRO 6 HA PRO 6 -1.409 -3.561 1.731 25 HB2 PRO 6 HB2 PRO 6 -1.409 -5.810 3.276 26 HB3 PRO 6 HB1 PRO 6 -2.894 -5.020 2.710 27 HG2 PRO 6 HG2 PRO 6 -1.529 -7.449 1.675 28 HG3 PRO 6 HG1 PRO 6 -3.258 -7.100 1.835 29 HD2 PRO 6 HD2 PRO 6 -1.867 -6.925 -0.536 30 HD3 PRO 6 HD1 PRO 6 -3.361 -6.020 -0.193 31 H ARG 7 H ARG 7 0.468 -5.900 0.074 32 HA ARG 7 HA ARG 7 2.647 -5.974 1.970 33 HB2 ARG 7 HB2 ARG 7 2.433 -6.914 -0.899 34 HB3 ARG 7 HB1 ARG 7 3.828 -7.193 0.144 35 HG2 ARG 7 HG2 ARG 7 2.417 -8.412 1.742 36 HG3 ARG 7 HG1 ARG 7 0.996 -8.102 0.741 37 HD2 ARG 7 HD2 ARG 7 1.822 -10.344 0.271 38 HD3 ARG 7 HD1 ARG 7 2.100 -9.320 -1.135 39 HE ARG 7 HE ARG 7 4.397 -9.505 -0.764 40 HH11 ARG 7 1HH2 ARG 7 2.563 -10.691 1.920 41 HH12 ARG 7 2HH2 ARG 7 3.928 -11.399 2.717 42 HH21 ARG 7 1HH1 ARG 7 6.192 -10.431 0.276 43 HH22 ARG 7 2HH1 ARG 7 5.982 -11.251 1.787 44 H CYS 8 H CYS 8 1.572 -3.786 -0.393 45 HA CYS 8 HA CYS 8 4.050 -2.802 -1.369 46 HB2 CYS 8 HB2 CYS 8 1.889 -2.313 -2.451 47 HB3 CYS 8 HB1 CYS 8 1.412 -1.354 -1.050 48 H ARG 9 H ARG 9 5.495 -1.405 -0.510 49 HA ARG 9 HA ARG 9 5.523 -0.866 2.253 50 HB2 ARG 9 HB2 ARG 9 7.045 0.389 -0.038 51 HB3 ARG 9 HB1 ARG 9 7.373 0.742 1.658 52 HG2 ARG 9 HG2 ARG 9 7.839 -1.623 2.091 53 HG3 ARG 9 HG1 ARG 9 7.442 -2.026 0.420 54 HD2 ARG 9 HD2 ARG 9 9.870 -1.859 0.677 55 HD3 ARG 9 HD1 ARG 9 9.283 -0.557 -0.354 56 HE ARG 9 HE ARG 9 9.900 0.971 1.295 57 HH11 ARG 9 1HH2 ARG 9 9.938 -2.278 2.487 58 HH12 ARG 9 2HH2 ARG 9 10.714 -1.867 3.980 59 HH21 ARG 9 1HH1 ARG 9 10.918 1.516 3.250 60 HH22 ARG 9 2HH1 ARG 9 11.268 0.281 4.413 61 H TYR 10 H TYR 10 4.535 1.110 -0.515 62 HA TYR 10 HA TYR 10 3.964 3.426 1.121 63 HB2 TYR 10 HB2 TYR 10 4.668 3.730 -1.198 64 HB3 TYR 10 HB1 TYR 10 3.277 2.805 -1.763 65 HD1 TYR 10 HD1 TYR 10 4.264 5.883 0.097 66 HD2 TYR 10 HD2 TYR 10 1.151 3.824 -2.030 67 HE1 TYR 10 HE1 TYR 10 2.878 7.938 0.136 68 HE2 TYR 10 HE2 TYR 10 -0.235 5.881 -1.991 69 HH TYR 10 HH TYR 10 0.985 8.904 -1.265 70 H ARG 11 H ARG 11 2.089 3.913 2.097 71 HA ARG 11 HA ARG 11 -0.244 2.170 1.566 72 HB2 ARG 11 HB2 ARG 11 0.516 3.660 4.091 73 HB3 ARG 11 HB1 ARG 11 -0.943 2.690 3.876 74 HG2 ARG 11 HG2 ARG 11 0.472 0.706 3.392 75 HG3 ARG 11 HG1 ARG 11 1.911 1.682 3.688 76 HD2 ARG 11 HD2 ARG 11 1.404 0.470 5.717 77 HD3 ARG 11 HD1 ARG 11 1.028 2.169 5.987 78 HE ARG 11 HE ARG 11 -1.225 1.598 6.155 79 HH11 ARG 11 1HH2 ARG 11 0.648 -0.996 4.836 80 HH12 ARG 11 2HH2 ARG 11 -0.638 -2.152 4.923 81 HH21 ARG 11 1HH1 ARG 11 -2.916 0.086 6.273 82 HH22 ARG 11 2HH1 ARG 11 -2.656 -1.540 5.736 83 H ABA 12 H ABA 12 -2.199 3.081 1.145 84 HA ABA 12 HA ABA 12 -2.246 6.017 0.816 85 HB3 ABA 12 HB1 ABA 12 -2.566 4.875 -1.283 86 HB2 ABA 12 HB2 ABA 12 -4.114 5.560 -0.791 87 HG1 ABA 12 HG ABA 12 -4.396 3.076 0.312 88 H ARG 13 H ARG 13 -4.329 7.082 1.199 89 HA ARG 13 HA ARG 13 -5.628 5.953 3.580 90 HB2 ARG 13 HB2 ARG 13 -4.727 8.239 3.749 91 HB3 ARG 13 HB1 ARG 13 -5.758 8.744 2.410 92 HG2 ARG 13 HG2 ARG 13 -7.760 8.247 3.688 93 HG3 ARG 13 HG1 ARG 13 -6.800 7.551 4.996 94 HD2 ARG 13 HD2 ARG 13 -5.759 9.732 5.416 95 HD3 ARG 13 HD1 ARG 13 -6.657 10.437 4.073 96 HE ARG 13 HE ARG 13 -8.535 9.305 5.802 97 HH11 ARG 13 1HH2 ARG 13 -6.095 11.759 5.818 98 HH12 ARG 13 2HH2 ARG 13 -6.904 12.750 6.986 99 HH21 ARG 13 1HH1 ARG 13 -9.601 10.599 7.334 100 HH22 ARG 13 2HH1 ARG 13 -8.889 12.093 7.844 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 -2.394 4.988 -6.991 2 H2 GLY 1 HT2 GLY 1 -1.082 3.996 -7.412 3 H3 GLY 1 HT3 GLY 1 -0.811 5.585 -6.876 4 HA2 GLY 1 HA2 GLY 1 -0.398 4.584 -4.918 5 HA3 GLY 1 HA1 GLY 1 -2.158 4.647 -4.792 6 H CYS 2 H CYS 2 -0.180 2.667 -3.751 7 HA CYS 2 HA CYS 2 -1.109 0.237 -5.155 8 HB2 CYS 2 HB2 CYS 2 0.753 -0.878 -3.967 9 HB3 CYS 2 HB1 CYS 2 1.276 0.369 -5.094 10 H ABA 3 H ABA 3 -2.969 1.297 -3.654 11 HA ABA 3 HA ABA 3 -2.940 0.344 -0.931 12 HB3 ABA 3 HB1 ABA 3 -5.152 1.237 -0.756 13 HB2 ABA 3 HB2 ABA 3 -5.339 1.284 -2.508 14 HG1 ABA 3 HG ABA 3 -3.725 3.153 -2.655 15 H SER 4 H SER 4 -3.904 -0.865 -4.026 16 HA SER 4 HA SER 4 -5.807 -2.791 -3.230 17 HB2 SER 4 HB2 SER 4 -5.325 -3.870 -5.372 18 HB3 SER 4 HB1 SER 4 -5.435 -2.124 -5.580 19 HG SER 4 HG SER 4 -3.403 -3.740 -6.144 20 H ASP 5 H ASP 5 -2.294 -2.785 -3.216 21 HA ASP 5 HA ASP 5 -2.325 -5.557 -2.259 22 HB2 ASP 5 HB2 ASP 5 -0.036 -3.955 -3.369 23 HB3 ASP 5 HB1 ASP 5 0.056 -5.625 -2.796 24 HA PRO 6 HA PRO 6 -1.399 -3.581 1.725 25 HB2 PRO 6 HB2 PRO 6 -1.395 -5.845 3.261 26 HB3 PRO 6 HB1 PRO 6 -2.880 -5.047 2.707 27 HG2 PRO 6 HG2 PRO 6 -1.522 -7.468 1.643 28 HG3 PRO 6 HG1 PRO 6 -3.250 -7.119 1.814 29 HD2 PRO 6 HD2 PRO 6 -1.878 -6.931 -0.561 30 HD3 PRO 6 HD1 PRO 6 -3.361 -6.016 -0.200 31 H ARG 7 H ARG 7 0.474 -5.894 0.039 32 HA ARG 7 HA ARG 7 2.654 -6.000 1.932 33 HB2 ARG 7 HB2 ARG 7 2.497 -6.869 -0.968 34 HB3 ARG 7 HB1 ARG 7 3.819 -7.235 0.138 35 HG2 ARG 7 HG2 ARG 7 1.031 -7.945 0.965 36 HG3 ARG 7 HG1 ARG 7 1.844 -8.970 -0.216 37 HD2 ARG 7 HD2 ARG 7 3.039 -8.208 2.465 38 HD3 ARG 7 HD1 ARG 7 2.173 -9.710 2.165 39 HE ARG 7 HE ARG 7 4.151 -9.546 0.218 40 HH11 ARG 7 1HH2 ARG 7 3.901 -9.644 3.668 41 HH12 ARG 7 2HH2 ARG 7 5.423 -10.440 3.892 42 HH21 ARG 7 1HH1 ARG 7 6.148 -10.589 0.505 43 HH22 ARG 7 2HH1 ARG 7 6.695 -10.976 2.102 44 H CYS 8 H CYS 8 1.582 -3.784 -0.400 45 HA CYS 8 HA CYS 8 4.057 -2.785 -1.362 46 HB2 CYS 8 HB2 CYS 8 1.911 -2.281 -2.454 47 HB3 CYS 8 HB1 CYS 8 1.401 -1.361 -1.039 48 H ARG 9 H ARG 9 5.492 -1.396 -0.496 49 HA ARG 9 HA ARG 9 5.515 -0.877 2.273 50 HB2 ARG 9 HB2 ARG 9 7.053 0.364 -0.015 51 HB3 ARG 9 HB1 ARG 9 7.371 0.733 1.681 52 HG2 ARG 9 HG2 ARG 9 7.906 -1.576 2.154 53 HG3 ARG 9 HG1 ARG 9 7.393 -2.074 0.541 54 HD2 ARG 9 HD2 ARG 9 9.836 -1.912 0.631 55 HD3 ARG 9 HD1 ARG 9 9.185 -0.680 -0.447 56 HE ARG 9 HE ARG 9 9.487 0.326 2.212 57 HH11 ARG 9 1HH2 ARG 9 11.182 -0.523 -0.682 58 HH12 ARG 9 2HH2 ARG 9 12.477 0.597 -0.417 59 HH21 ARG 9 1HH1 ARG 9 11.181 1.797 2.567 60 HH22 ARG 9 2HH1 ARG 9 12.477 1.910 1.423 61 H TYR 10 H TYR 10 4.547 1.110 -0.490 62 HA TYR 10 HA TYR 10 3.981 3.423 1.151 63 HB2 TYR 10 HB2 TYR 10 4.708 3.747 -1.153 64 HB3 TYR 10 HB1 TYR 10 3.332 2.815 -1.745 65 HD1 TYR 10 HD2 TYR 10 4.267 5.891 0.148 66 HD2 TYR 10 HD1 TYR 10 1.208 3.823 -2.048 67 HE1 TYR 10 HE2 TYR 10 2.867 7.938 0.171 68 HE2 TYR 10 HE1 TYR 10 -0.193 5.870 -2.024 69 HH TYR 10 HH TYR 10 0.999 8.894 -0.563 70 H ARG 11 H ARG 11 2.101 3.928 2.107 71 HA ARG 11 HA ARG 11 -0.233 2.189 1.564 72 HB2 ARG 11 HB2 ARG 11 0.565 3.689 4.069 73 HB3 ARG 11 HB1 ARG 11 -0.969 2.843 3.863 74 HG2 ARG 11 HG2 ARG 11 0.240 0.733 3.457 75 HG3 ARG 11 HG1 ARG 11 1.778 1.574 3.658 76 HD2 ARG 11 HD2 ARG 11 1.142 2.181 5.966 77 HD3 ARG 11 HD1 ARG 11 -0.388 1.332 5.766 78 HE ARG 11 HE ARG 11 1.714 -0.451 5.171 79 HH11 ARG 11 1HH2 ARG 11 0.331 1.316 7.805 80 HH12 ARG 11 2HH2 ARG 11 0.805 0.163 9.009 81 HH21 ARG 11 1HH1 ARG 11 2.339 -1.967 6.743 82 HH22 ARG 11 2HH1 ARG 11 1.942 -1.696 8.406 83 H ABA 12 H ABA 12 -2.187 3.098 1.111 84 HA ABA 12 HA ABA 12 -2.200 6.017 0.666 85 HB3 ABA 12 HB1 ABA 12 -2.603 4.826 -1.372 86 HB2 ABA 12 HB2 ABA 12 -4.150 5.490 -0.847 87 HG1 ABA 12 HG ABA 12 -4.253 2.997 0.352 88 H ARG 13 H ARG 13 -4.867 6.511 0.500 89 HA ARG 13 HA ARG 13 -5.671 6.305 3.302 90 HB2 ARG 13 HB2 ARG 13 -5.766 8.505 2.219 91 HB3 ARG 13 HB1 ARG 13 -6.872 7.868 1.002 92 HG2 ARG 13 HG2 ARG 13 -8.563 7.426 2.681 93 HG3 ARG 13 HG1 ARG 13 -7.446 7.847 3.979 94 HD2 ARG 13 HD2 ARG 13 -7.344 10.153 3.191 95 HD3 ARG 13 HD1 ARG 13 -8.357 9.754 1.807 96 HE ARG 13 HE ARG 13 -9.789 9.026 4.087 97 HH11 ARG 13 1HH2 ARG 13 -8.413 11.859 2.653 98 HH12 ARG 13 2HH2 ARG 13 -9.594 12.937 3.318 99 HH21 ARG 13 1HH1 ARG 13 -11.342 10.434 4.962 100 HH22 ARG 13 2HH1 ARG 13 -11.252 12.131 4.625 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 -0.940 3.560 -9.315 2 H2 GLY 1 HT2 GLY 1 -1.711 3.839 -7.828 3 H3 GLY 1 HT3 GLY 1 -1.884 2.340 -8.610 4 HA2 GLY 1 HA2 GLY 1 0.755 2.415 -8.409 5 HA3 GLY 1 HA1 GLY 1 0.302 3.350 -6.983 6 H CYS 2 H CYS 2 1.155 1.569 -5.715 7 HA CYS 2 HA CYS 2 -0.611 -0.804 -5.639 8 HB2 CYS 2 HB2 CYS 2 1.204 -1.935 -4.513 9 HB3 CYS 2 HB1 CYS 2 1.742 -1.295 -6.061 10 H ABA 3 H ABA 3 -1.659 1.327 -4.550 11 HA ABA 3 HA ABA 3 -1.063 1.521 -1.722 12 HB3 ABA 3 HB1 ABA 3 -2.952 2.895 -3.586 13 HB2 ABA 3 HB2 ABA 3 -1.736 3.587 -2.513 14 HG1 ABA 3 HG ABA 3 -4.360 2.355 -1.540 15 H SER 4 H SER 4 -3.503 0.087 -3.794 16 HA SER 4 HA SER 4 -5.341 -0.645 -1.766 17 HB2 SER 4 HB2 SER 4 -6.274 -2.164 -3.430 18 HB3 SER 4 HB1 SER 4 -5.898 -0.615 -4.179 19 HG SER 4 HG SER 4 -4.585 -1.645 -5.442 20 H ASP 5 H ASP 5 -2.289 -1.939 -2.738 21 HA ASP 5 HA ASP 5 -2.819 -4.469 -1.405 22 HB2 ASP 5 HB2 ASP 5 -0.396 -3.532 -2.918 23 HB3 ASP 5 HB1 ASP 5 -0.610 -5.144 -2.222 24 HA PRO 6 HA PRO 6 -0.888 -2.604 2.262 25 HB2 PRO 6 HB2 PRO 6 -1.215 -4.726 3.962 26 HB3 PRO 6 HB1 PRO 6 -2.528 -3.613 3.533 27 HG2 PRO 6 HG2 PRO 6 -1.949 -6.342 2.508 28 HG3 PRO 6 HG1 PRO 6 -3.504 -5.566 2.859 29 HD2 PRO 6 HD2 PRO 6 -2.462 -5.838 0.324 30 HD3 PRO 6 HD1 PRO 6 -3.625 -4.575 0.788 31 H ARG 7 H ARG 7 0.107 -5.414 0.575 32 HA ARG 7 HA ARG 7 2.454 -5.941 2.173 33 HB2 ARG 7 HB2 ARG 7 1.557 -6.936 -0.538 34 HB3 ARG 7 HB1 ARG 7 3.040 -7.465 0.258 35 HG2 ARG 7 HG2 ARG 7 1.718 -8.236 2.202 36 HG3 ARG 7 HG1 ARG 7 0.238 -7.725 1.389 37 HD2 ARG 7 HD2 ARG 7 0.719 -9.287 -0.464 38 HD3 ARG 7 HD1 ARG 7 2.189 -9.803 0.358 39 HE ARG 7 HE ARG 7 -0.537 -10.537 1.056 40 HH11 ARG 7 1HH2 ARG 7 2.779 -10.280 2.013 41 HH12 ARG 7 2HH2 ARG 7 2.654 -11.473 3.262 42 HH21 ARG 7 1HH1 ARG 7 -0.707 -12.103 2.693 43 HH22 ARG 7 2HH1 ARG 7 0.681 -12.505 3.648 44 H CYS 8 H CYS 8 1.609 -3.672 -0.210 45 HA CYS 8 HA CYS 8 4.258 -3.382 -1.348 46 HB2 CYS 8 HB2 CYS 8 1.969 -2.842 -2.460 47 HB3 CYS 8 HB1 CYS 8 2.075 -1.326 -1.566 48 H ARG 9 H ARG 9 5.407 -1.276 -1.243 49 HA ARG 9 HA ARG 9 6.019 -0.570 1.411 50 HB2 ARG 9 HB2 ARG 9 6.566 0.837 -1.208 51 HB3 ARG 9 HB1 ARG 9 7.223 1.374 0.338 52 HG2 ARG 9 HG2 ARG 9 8.324 -0.794 0.652 53 HG3 ARG 9 HG1 ARG 9 7.626 -1.385 -0.856 54 HD2 ARG 9 HD2 ARG 9 9.925 -0.661 -1.249 55 HD3 ARG 9 HD1 ARG 9 8.812 0.417 -2.086 56 HE ARG 9 HE ARG 9 9.452 2.134 -0.640 57 HH11 ARG 9 1HH2 ARG 9 10.580 -0.951 0.451 58 HH12 ARG 9 2HH2 ARG 9 11.605 -0.294 1.683 59 HH21 ARG 9 1HH1 ARG 9 10.796 3.002 0.973 60 HH22 ARG 9 2HH1 ARG 9 11.728 1.943 1.977 61 H TYR 10 H TYR 10 3.902 0.936 -0.992 62 HA TYR 10 HA TYR 10 3.065 2.922 1.029 63 HB2 TYR 10 HB2 TYR 10 3.863 3.617 -1.330 64 HB3 TYR 10 HB1 TYR 10 2.314 2.984 -1.887 65 HD1 TYR 10 HD1 TYR 10 0.173 3.963 -1.027 66 HD2 TYR 10 HD2 TYR 10 4.007 5.661 -0.090 67 HE1 TYR 10 HE1 TYR 10 -0.932 6.064 -0.306 68 HE2 TYR 10 HE2 TYR 10 2.900 7.760 0.631 69 HH TYR 10 HH TYR 10 -0.645 8.126 0.446 70 H ARG 11 H ARG 11 1.043 2.893 1.841 71 HA ARG 11 HA ARG 11 -0.971 1.160 0.566 72 HB2 ARG 11 HB2 ARG 11 -1.621 0.265 2.749 73 HB3 ARG 11 HB1 ARG 11 0.068 -0.112 2.411 74 HG2 ARG 11 HG2 ARG 11 0.754 1.856 3.769 75 HG3 ARG 11 HG1 ARG 11 -0.939 2.161 4.157 76 HD2 ARG 11 HD2 ARG 11 -1.104 -0.070 5.195 77 HD3 ARG 11 HD1 ARG 11 0.589 -0.373 4.817 78 HE ARG 11 HE ARG 11 0.393 2.031 6.289 79 HH11 ARG 11 1HH2 ARG 11 -0.023 -1.389 6.600 80 HH12 ARG 11 2HH2 ARG 11 0.373 -1.424 8.286 81 HH21 ARG 11 1HH1 ARG 11 0.915 1.994 8.499 82 HH22 ARG 11 2HH1 ARG 11 0.906 0.492 9.361 83 H ABA 12 H ABA 12 -3.149 1.726 1.022 84 HA ABA 12 HA ABA 12 -3.518 4.377 2.281 85 HB3 ABA 12 HB1 ABA 12 -4.581 5.251 0.475 86 HB2 ABA 12 HB2 ABA 12 -5.315 3.713 0.031 87 HG1 ABA 12 HG ABA 12 -2.526 4.659 -0.726 88 H ARG 13 H ARG 13 -5.644 4.762 3.126 89 HA ARG 13 HA ARG 13 -6.859 2.320 4.160 90 HB2 ARG 13 HB2 ARG 13 -8.083 3.811 5.655 91 HB3 ARG 13 HB1 ARG 13 -6.367 4.213 5.682 92 HG2 ARG 13 HG2 ARG 13 -6.826 5.994 3.966 93 HG3 ARG 13 HG1 ARG 13 -8.548 5.659 4.151 94 HD2 ARG 13 HD2 ARG 13 -8.415 6.206 6.542 95 HD3 ARG 13 HD1 ARG 13 -6.686 6.510 6.386 96 HE ARG 13 HE ARG 13 -7.175 8.550 5.352 97 HH11 ARG 13 1HH2 ARG 13 -9.990 6.569 5.712 98 HH12 ARG 13 2HH2 ARG 13 -11.100 7.830 5.288 99 HH21 ARG 13 1HH1 ARG 13 -8.624 10.207 4.795 100 HH22 ARG 13 2HH1 ARG 13 -10.326 9.889 4.768 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 2.899 4.646 -6.167 2 H2 GLY 1 HT2 GLY 1 1.295 5.207 -6.192 3 H3 GLY 1 HT3 GLY 1 1.701 3.751 -6.968 4 HA2 GLY 1 HA2 GLY 1 2.536 3.192 -4.510 5 HA3 GLY 1 HA1 GLY 1 1.194 4.283 -4.162 6 H CYS 2 H CYS 2 1.561 1.283 -3.885 7 HA CYS 2 HA CYS 2 -0.711 0.401 -5.551 8 HB2 CYS 2 HB2 CYS 2 0.325 -1.899 -4.513 9 HB3 CYS 2 HB1 CYS 2 0.771 -1.223 -6.075 10 H ABA 3 H ABA 3 -2.093 1.517 -3.986 11 HA ABA 3 HA ABA 3 -2.314 0.584 -1.295 12 HB3 ABA 3 HB1 ABA 3 -4.674 1.685 -1.584 13 HB2 ABA 3 HB2 ABA 3 -4.004 2.273 -3.106 14 HG1 ABA 3 HG ABA 3 -1.991 3.128 -1.571 15 H SER 4 H SER 4 -3.096 -0.819 -4.249 16 HA SER 4 HA SER 4 -5.519 -2.158 -3.559 17 HB2 SER 4 HB2 SER 4 -5.125 -3.487 -5.551 18 HB3 SER 4 HB1 SER 4 -4.740 -1.804 -5.898 19 HG SER 4 HG SER 4 -2.710 -2.327 -6.134 20 H ASP 5 H ASP 5 -2.190 -2.697 -2.831 21 HA ASP 5 HA ASP 5 -2.885 -5.306 -1.675 22 HB2 ASP 5 HB2 ASP 5 -1.439 -5.977 -3.326 23 HB3 ASP 5 HB1 ASP 5 -0.502 -4.485 -3.250 24 HA PRO 6 HA PRO 6 -1.609 -3.443 2.175 25 HB2 PRO 6 HB2 PRO 6 -1.258 -5.716 3.663 26 HB3 PRO 6 HB1 PRO 6 -2.853 -5.051 3.261 27 HG2 PRO 6 HG2 PRO 6 -1.376 -7.322 2.033 28 HG3 PRO 6 HG1 PRO 6 -3.109 -7.141 2.355 29 HD2 PRO 6 HD2 PRO 6 -1.997 -6.798 -0.126 30 HD3 PRO 6 HD1 PRO 6 -3.494 -5.990 0.409 31 H ARG 7 H ARG 7 0.335 -5.874 0.588 32 HA ARG 7 HA ARG 7 2.651 -5.499 2.260 33 HB2 ARG 7 HB2 ARG 7 2.337 -6.865 -0.429 34 HB3 ARG 7 HB1 ARG 7 3.778 -6.937 0.584 35 HG2 ARG 7 HG2 ARG 7 1.126 -7.706 1.759 36 HG3 ARG 7 HG1 ARG 7 1.983 -8.862 0.739 37 HD2 ARG 7 HD2 ARG 7 3.113 -7.512 3.212 38 HD3 ARG 7 HD1 ARG 7 2.572 -9.181 3.117 39 HE ARG 7 HE ARG 7 5.053 -8.104 2.067 40 HH11 ARG 7 1HH2 ARG 7 2.681 -10.623 1.964 41 HH12 ARG 7 2HH2 ARG 7 3.762 -11.802 1.300 42 HH21 ARG 7 1HH1 ARG 7 6.476 -9.646 1.197 43 HH22 ARG 7 2HH1 ARG 7 5.910 -11.250 0.866 44 H CYS 8 H CYS 8 1.217 -3.673 -0.156 45 HA CYS 8 HA CYS 8 3.427 -2.748 -1.646 46 HB2 CYS 8 HB2 CYS 8 1.139 -2.323 -2.355 47 HB3 CYS 8 HB1 CYS 8 0.845 -1.341 -0.921 48 H ARG 9 H ARG 9 5.024 -1.373 -1.202 49 HA ARG 9 HA ARG 9 5.639 -0.623 1.427 50 HB2 ARG 9 HB2 ARG 9 7.441 0.687 0.460 51 HB3 ARG 9 HB1 ARG 9 7.294 -0.831 -0.427 52 HG2 ARG 9 HG2 ARG 9 5.818 0.407 -2.082 53 HG3 ARG 9 HG1 ARG 9 6.292 1.900 -1.270 54 HD2 ARG 9 HD2 ARG 9 7.760 1.546 -3.176 55 HD3 ARG 9 HD1 ARG 9 8.683 1.324 -1.693 56 HE ARG 9 HE ARG 9 7.612 -1.160 -2.607 57 HH11 ARG 9 1HH2 ARG 9 10.057 1.218 -3.190 58 HH12 ARG 9 2HH2 ARG 9 11.172 0.099 -3.900 59 HH21 ARG 9 1HH1 ARG 9 9.068 -2.633 -3.539 60 HH22 ARG 9 2HH1 ARG 9 10.611 -2.082 -4.099 61 H TYR 10 H TYR 10 3.647 0.896 -0.956 62 HA TYR 10 HA TYR 10 3.642 3.453 0.486 63 HB2 TYR 10 HB2 TYR 10 3.770 3.459 -1.995 64 HB3 TYR 10 HB1 TYR 10 2.198 2.663 -2.054 65 HD1 TYR 10 HD2 TYR 10 3.927 5.707 -0.742 66 HD2 TYR 10 HD1 TYR 10 0.208 3.923 -1.944 67 HE1 TYR 10 HE2 TYR 10 2.802 7.907 -0.527 68 HE2 TYR 10 HE1 TYR 10 -0.915 6.125 -1.731 69 HH TYR 10 HH TYR 10 -0.295 8.516 -1.778 70 H ARG 11 H ARG 11 2.288 3.644 2.145 71 HA ARG 11 HA ARG 11 -0.079 1.949 2.332 72 HB2 ARG 11 HB2 ARG 11 1.168 3.941 4.236 73 HB3 ARG 11 HB1 ARG 11 -0.305 3.036 4.587 74 HG2 ARG 11 HG2 ARG 11 0.920 0.916 4.279 75 HG3 ARG 11 HG1 ARG 11 2.396 1.819 3.931 76 HD2 ARG 11 HD2 ARG 11 2.317 2.836 6.169 77 HD3 ARG 11 HD1 ARG 11 0.827 1.965 6.520 78 HE ARG 11 HE ARG 11 2.083 0.025 6.842 79 HH11 ARG 11 1HH2 ARG 11 3.958 2.541 5.382 80 HH12 ARG 11 2HH2 ARG 11 5.468 1.715 5.570 81 HH21 ARG 11 1HH1 ARG 11 4.061 -1.065 7.091 82 HH22 ARG 11 2HH1 ARG 11 5.526 -0.327 6.537 83 H ABA 12 H ABA 12 -2.181 2.657 2.281 84 HA ABA 12 HA ABA 12 -2.877 5.436 2.253 85 HB3 ABA 12 HB1 ABA 12 -1.947 4.815 -0.108 86 HB2 ABA 12 HB2 ABA 12 -3.438 5.740 0.021 87 HG1 ABA 12 HG ABA 12 -4.739 3.568 -0.300 88 H ARG 13 H ARG 13 -5.289 5.631 1.536 89 HA ARG 13 HA ARG 13 -6.732 3.496 2.945 90 HB2 ARG 13 HB2 ARG 13 -8.016 6.046 2.027 91 HB3 ARG 13 HB1 ARG 13 -8.366 5.070 3.453 92 HG2 ARG 13 HG2 ARG 13 -5.864 6.743 3.040 93 HG3 ARG 13 HG1 ARG 13 -7.216 7.173 4.083 94 HD2 ARG 13 HD2 ARG 13 -5.412 4.756 4.391 95 HD3 ARG 13 HD1 ARG 13 -5.442 6.173 5.431 96 HE ARG 13 HE ARG 13 -7.347 3.984 5.434 97 HH11 ARG 13 1HH2 ARG 13 -6.673 7.277 6.255 98 HH12 ARG 13 2HH2 ARG 13 -7.863 7.353 7.510 99 HH21 ARG 13 1HH1 ARG 13 -8.911 4.076 7.079 100 HH22 ARG 13 2HH1 ARG 13 -9.131 5.540 7.977 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 0.951 5.008 -2.789 2 H2 GLY 1 HT2 GLY 1 -0.513 4.414 -3.413 3 H3 GLY 1 HT3 GLY 1 0.290 5.693 -4.192 4 HA2 GLY 1 HA2 GLY 1 1.526 4.316 -5.387 5 HA3 GLY 1 HA1 GLY 1 2.011 3.450 -3.928 6 H CYS 2 H CYS 2 1.150 1.490 -3.526 7 HA CYS 2 HA CYS 2 -0.976 0.537 -5.340 8 HB2 CYS 2 HB2 CYS 2 0.156 -1.728 -4.262 9 HB3 CYS 2 HB1 CYS 2 0.545 -1.039 -5.831 10 H ABA 3 H ABA 3 -2.484 1.540 -3.830 11 HA ABA 3 HA ABA 3 -2.795 0.729 -1.144 12 HB3 ABA 3 HB1 ABA 3 -5.342 1.307 -1.936 13 HB2 ABA 3 HB2 ABA 3 -4.408 2.135 -3.177 14 HG1 ABA 3 HG ABA 3 -3.906 3.814 -1.604 15 H SER 4 H SER 4 -3.658 -0.750 -4.166 16 HA SER 4 HA SER 4 -5.684 -2.504 -3.308 17 HB2 SER 4 HB2 SER 4 -5.185 -3.771 -5.337 18 HB3 SER 4 HB1 SER 4 -5.192 -2.042 -5.674 19 HG SER 4 HG SER 4 -2.899 -2.101 -5.443 20 H ASP 5 H ASP 5 -2.166 -2.777 -3.135 21 HA ASP 5 HA ASP 5 -2.450 -5.511 -2.092 22 HB2 ASP 5 HB2 ASP 5 -0.018 -3.992 -3.032 23 HB3 ASP 5 HB1 ASP 5 0.019 -5.630 -2.387 24 HA PRO 6 HA PRO 6 -1.719 -3.828 1.990 25 HB2 PRO 6 HB2 PRO 6 -1.204 -6.125 3.358 26 HB3 PRO 6 HB1 PRO 6 -2.835 -5.676 2.821 27 HG2 PRO 6 HG2 PRO 6 -0.903 -7.594 1.612 28 HG3 PRO 6 HG1 PRO 6 -2.661 -7.727 1.802 29 HD2 PRO 6 HD2 PRO 6 -1.455 -7.018 -0.562 30 HD3 PRO 6 HD1 PRO 6 -3.096 -6.509 -0.109 31 H ARG 7 H ARG 7 0.591 -5.954 0.425 32 HA ARG 7 HA ARG 7 2.749 -5.372 2.251 33 HB2 ARG 7 HB2 ARG 7 2.658 -6.777 -0.425 34 HB3 ARG 7 HB1 ARG 7 4.122 -6.603 0.544 35 HG2 ARG 7 HG2 ARG 7 3.031 -7.768 2.420 36 HG3 ARG 7 HG1 ARG 7 1.559 -7.937 1.463 37 HD2 ARG 7 HD2 ARG 7 2.804 -9.252 -0.215 38 HD3 ARG 7 HD1 ARG 7 4.269 -9.091 0.748 39 HE ARG 7 HE ARG 7 2.011 -10.836 1.303 40 HH11 ARG 7 1HH2 ARG 7 4.825 -9.203 2.482 41 HH12 ARG 7 2HH2 ARG 7 5.063 -10.283 3.816 42 HH21 ARG 7 1HH1 ARG 7 2.317 -12.257 3.050 43 HH22 ARG 7 2HH1 ARG 7 3.643 -12.012 4.137 44 H CYS 8 H CYS 8 1.272 -3.634 -0.161 45 HA CYS 8 HA CYS 8 3.326 -2.490 -1.653 46 HB2 CYS 8 HB2 CYS 8 0.947 -2.079 -2.102 47 HB3 CYS 8 HB1 CYS 8 0.813 -1.162 -0.605 48 H ARG 9 H ARG 9 4.801 -0.898 -1.306 49 HA ARG 9 HA ARG 9 5.707 -0.386 1.303 50 HB2 ARG 9 HB2 ARG 9 6.225 1.019 -1.325 51 HB3 ARG 9 HB1 ARG 9 7.046 1.460 0.172 52 HG2 ARG 9 HG2 ARG 9 7.022 -1.424 -0.630 53 HG3 ARG 9 HG1 ARG 9 8.103 -0.326 -1.488 54 HD2 ARG 9 HD2 ARG 9 8.000 -0.549 1.533 55 HD3 ARG 9 HD1 ARG 9 9.140 -1.436 0.528 56 HE ARG 9 HE ARG 9 9.353 1.256 -0.179 57 HH11 ARG 9 1HH2 ARG 9 9.809 -0.780 2.582 58 HH12 ARG 9 2HH2 ARG 9 11.065 0.197 3.266 59 HH21 ARG 9 1HH1 ARG 9 10.998 2.542 0.712 60 HH22 ARG 9 2HH1 ARG 9 11.738 2.078 2.209 61 H TYR 10 H TYR 10 3.622 1.483 -0.861 62 HA TYR 10 HA TYR 10 3.321 3.568 1.181 63 HB2 TYR 10 HB2 TYR 10 3.609 4.109 -1.286 64 HB3 TYR 10 HB1 TYR 10 2.000 3.432 -1.538 65 HD1 TYR 10 HD1 TYR 10 3.850 5.951 0.511 66 HD2 TYR 10 HD2 TYR 10 0.086 4.767 -1.187 67 HE1 TYR 10 HE1 TYR 10 2.845 8.099 1.241 68 HE2 TYR 10 HE2 TYR 10 -0.918 6.914 -0.457 69 HH TYR 10 HH TYR 10 0.747 9.545 0.332 70 H ARG 11 H ARG 11 1.973 2.963 2.775 71 HA ARG 11 HA ARG 11 -0.217 1.156 2.402 72 HB2 ARG 11 HB2 ARG 11 0.625 2.952 4.668 73 HB3 ARG 11 HB1 ARG 11 -0.808 1.931 4.750 74 HG2 ARG 11 HG2 ARG 11 0.632 -0.052 4.237 75 HG3 ARG 11 HG1 ARG 11 2.046 1.002 4.313 76 HD2 ARG 11 HD2 ARG 11 0.067 0.678 6.582 77 HD3 ARG 11 HD1 ARG 11 1.571 -0.221 6.458 78 HE ARG 11 HE ARG 11 2.788 1.795 6.798 79 HH11 ARG 11 1HH2 ARG 11 -0.648 2.205 6.908 80 HH12 ARG 11 2HH2 ARG 11 -0.572 3.729 7.718 81 HH21 ARG 11 1HH1 ARG 11 2.891 3.793 7.853 82 HH22 ARG 11 2HH1 ARG 11 1.429 4.634 8.248 83 H ABA 12 H ABA 12 -0.709 2.930 0.519 84 HA ABA 12 HA ABA 12 -2.243 4.378 -0.346 85 HB3 ABA 12 HB1 ABA 12 -4.455 4.400 0.922 86 HB2 ABA 12 HB2 ABA 12 -3.713 3.249 2.019 87 HG1 ABA 12 HG ABA 12 -4.041 1.541 0.431 88 H ARG 13 H ARG 13 -0.570 5.048 2.298 89 HA ARG 13 HA ARG 13 -1.282 7.856 2.233 90 HB2 ARG 13 HB2 ARG 13 -1.892 8.113 4.517 91 HB3 ARG 13 HB1 ARG 13 -2.853 6.762 3.919 92 HG2 ARG 13 HG2 ARG 13 -1.027 5.225 4.812 93 HG3 ARG 13 HG1 ARG 13 -0.352 6.636 5.620 94 HD2 ARG 13 HD2 ARG 13 -2.509 7.001 6.774 95 HD3 ARG 13 HD1 ARG 13 -3.156 5.558 6.000 96 HE ARG 13 HE ARG 13 -0.739 4.951 7.382 97 HH11 ARG 13 1HH2 ARG 13 -4.088 5.692 7.839 98 HH12 ARG 13 2HH2 ARG 13 -4.219 4.816 9.327 99 HH21 ARG 13 1HH1 ARG 13 -0.904 3.801 9.330 100 HH22 ARG 13 2HH1 ARG 13 -2.417 3.746 10.172 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 -1.074 6.130 -6.257 2 H2 GLY 1 HT2 GLY 1 -2.369 5.065 -6.529 3 H3 GLY 1 HT3 GLY 1 -0.791 4.618 -6.972 4 HA2 GLY 1 HA2 GLY 1 -0.164 4.779 -4.569 5 HA3 GLY 1 HA1 GLY 1 -1.891 4.922 -4.238 6 H CYS 2 H CYS 2 -0.044 2.777 -3.472 7 HA CYS 2 HA CYS 2 -1.161 0.507 -4.996 8 HB2 CYS 2 HB2 CYS 2 0.671 -0.791 -3.899 9 HB3 CYS 2 HB1 CYS 2 1.221 0.452 -5.019 10 H ABA 3 H ABA 3 -3.049 1.276 -3.561 11 HA ABA 3 HA ABA 3 -2.976 0.309 -0.824 12 HB3 ABA 3 HB1 ABA 3 -5.153 1.207 -0.595 13 HB2 ABA 3 HB2 ABA 3 -5.429 1.191 -2.337 14 HG1 ABA 3 HG ABA 3 -3.801 3.068 -2.612 15 H SER 4 H SER 4 -3.921 -0.831 -3.958 16 HA SER 4 HA SER 4 -5.789 -2.806 -3.226 17 HB2 SER 4 HB2 SER 4 -5.275 -3.827 -5.388 18 HB3 SER 4 HB1 SER 4 -5.397 -2.077 -5.556 19 HG SER 4 HG SER 4 -3.323 -3.690 -6.079 20 H ASP 5 H ASP 5 -2.267 -2.776 -3.174 21 HA ASP 5 HA ASP 5 -2.296 -5.570 -2.262 22 HB2 ASP 5 HB2 ASP 5 -0.004 -3.949 -3.347 23 HB3 ASP 5 HB1 ASP 5 0.085 -5.628 -2.805 24 HA PRO 6 HA PRO 6 -1.368 -3.627 1.718 25 HB2 PRO 6 HB2 PRO 6 -1.355 -5.887 3.246 26 HB3 PRO 6 HB1 PRO 6 -2.843 -5.091 2.697 27 HG2 PRO 6 HG2 PRO 6 -1.489 -7.516 1.636 28 HG3 PRO 6 HG1 PRO 6 -3.217 -7.165 1.808 29 HD2 PRO 6 HD2 PRO 6 -1.832 -6.973 -0.571 30 HD3 PRO 6 HD1 PRO 6 -3.328 -6.074 -0.216 31 H ARG 7 H ARG 7 0.499 -5.951 0.025 32 HA ARG 7 HA ARG 7 2.688 -6.053 1.905 33 HB2 ARG 7 HB2 ARG 7 2.467 -6.939 -0.981 34 HB3 ARG 7 HB1 ARG 7 3.858 -7.246 0.060 35 HG2 ARG 7 HG2 ARG 7 2.414 -8.470 1.640 36 HG3 ARG 7 HG1 ARG 7 1.017 -8.159 0.608 37 HD2 ARG 7 HD2 ARG 7 1.843 -10.389 0.128 38 HD3 ARG 7 HD1 ARG 7 2.194 -9.353 -1.252 39 HE ARG 7 HE ARG 7 4.468 -9.579 -0.788 40 HH11 ARG 7 1HH2 ARG 7 2.509 -10.727 1.824 41 HH12 ARG 7 2HH2 ARG 7 3.830 -11.448 2.680 42 HH21 ARG 7 1HH1 ARG 7 6.207 -10.522 0.331 43 HH22 ARG 7 2HH1 ARG 7 5.923 -11.332 1.835 44 H CYS 8 H CYS 8 1.605 -3.817 -0.408 45 HA CYS 8 HA CYS 8 4.099 -2.822 -1.358 46 HB2 CYS 8 HB2 CYS 8 1.947 -2.348 -2.476 47 HB3 CYS 8 HB1 CYS 8 1.444 -1.391 -1.082 48 H ARG 9 H ARG 9 5.527 -1.417 -0.435 49 HA ARG 9 HA ARG 9 5.455 -0.900 2.307 50 HB2 ARG 9 HB2 ARG 9 7.546 -0.926 1.114 51 HB3 ARG 9 HB1 ARG 9 7.022 0.385 0.064 52 HG2 ARG 9 HG2 ARG 9 8.560 1.189 1.802 53 HG3 ARG 9 HG1 ARG 9 6.970 1.913 1.987 54 HD2 ARG 9 HD2 ARG 9 6.426 0.465 3.815 55 HD3 ARG 9 HD1 ARG 9 7.826 -0.562 3.505 56 HE ARG 9 HE ARG 9 7.793 1.972 4.914 57 HH11 ARG 9 1HH2 ARG 9 9.642 -0.355 3.145 58 HH12 ARG 9 2HH2 ARG 9 11.151 0.087 3.871 59 HH21 ARG 9 1HH1 ARG 9 9.766 2.552 5.880 60 HH22 ARG 9 2HH1 ARG 9 11.221 1.733 5.419 61 H TYR 10 H TYR 10 4.651 1.168 -0.469 62 HA TYR 10 HA TYR 10 3.917 3.403 1.202 63 HB2 TYR 10 HB2 TYR 10 4.807 3.794 -1.039 64 HB3 TYR 10 HB1 TYR 10 3.466 2.892 -1.747 65 HD1 TYR 10 HD1 TYR 10 4.302 5.897 0.295 66 HD2 TYR 10 HD2 TYR 10 1.363 3.923 -2.138 67 HE1 TYR 10 HE1 TYR 10 2.914 7.953 0.302 68 HE2 TYR 10 HE2 TYR 10 -0.024 5.978 -2.131 69 HH TYR 10 HH TYR 10 -0.329 7.984 -0.753 70 H ARG 11 H ARG 11 1.990 3.827 2.067 71 HA ARG 11 HA ARG 11 -0.309 2.150 1.253 72 HB2 ARG 11 HB2 ARG 11 0.360 3.398 3.927 73 HB3 ARG 11 HB1 ARG 11 -1.174 2.610 3.558 74 HG2 ARG 11 HG2 ARG 11 0.004 0.516 3.040 75 HG3 ARG 11 HG1 ARG 11 1.552 1.296 3.369 76 HD2 ARG 11 HD2 ARG 11 0.837 1.728 5.694 77 HD3 ARG 11 HD1 ARG 11 -0.701 0.935 5.365 78 HE ARG 11 HE ARG 11 1.876 -0.363 5.754 79 HH11 ARG 11 1HH2 ARG 11 -1.382 -0.557 4.602 80 HH12 ARG 11 2HH2 ARG 11 -1.458 -2.284 4.695 81 HH21 ARG 11 1HH1 ARG 11 1.784 -2.630 5.877 82 HH22 ARG 11 2HH1 ARG 11 0.334 -3.458 5.416 83 H ABA 12 H ABA 12 -2.259 3.118 0.840 84 HA ABA 12 HA ABA 12 -2.175 6.021 0.432 85 HB3 ABA 12 HB1 ABA 12 -2.889 4.891 -1.519 86 HB2 ABA 12 HB2 ABA 12 -4.369 5.525 -0.798 87 HG1 ABA 12 HG ABA 12 -4.405 3.088 0.385 88 H ARG 13 H ARG 13 -4.289 7.183 0.824 89 HA ARG 13 HA ARG 13 -5.424 6.325 3.414 90 HB2 ARG 13 HB2 ARG 13 -5.530 8.559 4.116 91 HB3 ARG 13 HB1 ARG 13 -3.972 8.449 3.305 92 HG2 ARG 13 HG2 ARG 13 -6.537 9.590 2.136 93 HG3 ARG 13 HG1 ARG 13 -5.088 10.481 2.584 94 HD2 ARG 13 HD2 ARG 13 -5.409 8.495 0.332 95 HD3 ARG 13 HD1 ARG 13 -4.931 10.186 0.231 96 HE ARG 13 HE ARG 13 -3.227 7.943 0.951 97 HH11 ARG 13 1HH2 ARG 13 -3.751 11.364 0.967 98 HH12 ARG 13 2HH2 ARG 13 -2.074 11.759 1.146 99 HH21 ARG 13 1HH1 ARG 13 -1.027 8.453 1.188 100 HH22 ARG 13 2HH1 ARG 13 -0.531 10.111 1.271 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 1.187 4.009 -6.935 2 H2 GLY 1 HT2 GLY 1 2.835 4.118 -6.535 3 H3 GLY 1 HT3 GLY 1 1.751 5.317 -6.012 4 HA2 GLY 1 HA2 GLY 1 2.542 3.103 -4.602 5 HA3 GLY 1 HA1 GLY 1 1.208 4.184 -4.202 6 H CYS 2 H CYS 2 1.553 1.205 -3.947 7 HA CYS 2 HA CYS 2 -0.740 0.331 -5.589 8 HB2 CYS 2 HB2 CYS 2 0.305 -1.977 -4.615 9 HB3 CYS 2 HB1 CYS 2 0.736 -1.266 -6.161 10 H ABA 3 H ABA 3 -1.967 1.542 -3.856 11 HA ABA 3 HA ABA 3 -2.137 0.589 -1.200 12 HB3 ABA 3 HB1 ABA 3 -4.558 1.608 -1.458 13 HB2 ABA 3 HB2 ABA 3 -3.906 2.229 -2.973 14 HG1 ABA 3 HG ABA 3 -1.892 3.041 -1.340 15 H SER 4 H SER 4 -3.190 -0.734 -4.164 16 HA SER 4 HA SER 4 -5.465 -2.191 -3.313 17 HB2 SER 4 HB2 SER 4 -5.132 -3.519 -5.326 18 HB3 SER 4 HB1 SER 4 -4.860 -1.817 -5.691 19 HG SER 4 HG SER 4 -2.583 -2.293 -5.295 20 H ASP 5 H ASP 5 -2.013 -2.818 -3.108 21 HA ASP 5 HA ASP 5 -2.572 -5.454 -1.942 22 HB2 ASP 5 HB2 ASP 5 0.015 -4.361 -2.995 23 HB3 ASP 5 HB1 ASP 5 -0.241 -5.973 -2.313 24 HA PRO 6 HA PRO 6 -1.799 -3.443 2.081 25 HB2 PRO 6 HB2 PRO 6 -1.368 -6.261 2.925 26 HB3 PRO 6 HB1 PRO 6 -2.431 -5.026 3.621 27 HG2 PRO 6 HG2 PRO 6 -3.374 -7.051 2.158 28 HG3 PRO 6 HG1 PRO 6 -4.112 -5.442 2.135 29 HD2 PRO 6 HD2 PRO 6 -2.434 -6.772 0.045 30 HD3 PRO 6 HD1 PRO 6 -3.730 -5.561 -0.105 31 H ARG 7 H ARG 7 0.249 -5.885 0.582 32 HA ARG 7 HA ARG 7 2.503 -5.434 2.327 33 HB2 ARG 7 HB2 ARG 7 2.313 -6.872 -0.329 34 HB3 ARG 7 HB1 ARG 7 3.705 -6.909 0.751 35 HG2 ARG 7 HG2 ARG 7 0.912 -7.810 1.521 36 HG3 ARG 7 HG1 ARG 7 2.202 -8.900 1.019 37 HD2 ARG 7 HD2 ARG 7 2.519 -8.990 3.302 38 HD3 ARG 7 HD1 ARG 7 3.535 -7.601 2.943 39 HE ARG 7 HE ARG 7 2.020 -6.270 4.084 40 HH11 ARG 7 1HH2 ARG 7 0.605 -9.313 3.241 41 HH12 ARG 7 2HH2 ARG 7 -0.849 -9.043 4.144 42 HH21 ARG 7 1HH1 ARG 7 0.116 -5.910 5.269 43 HH22 ARG 7 2HH1 ARG 7 -1.126 -7.116 5.292 44 H CYS 8 H CYS 8 1.175 -3.730 -0.252 45 HA CYS 8 HA CYS 8 3.425 -2.830 -1.665 46 HB2 CYS 8 HB2 CYS 8 1.160 -2.409 -2.447 47 HB3 CYS 8 HB1 CYS 8 0.830 -1.401 -1.040 48 H ARG 9 H ARG 9 4.979 -1.374 -1.235 49 HA ARG 9 HA ARG 9 5.549 -0.588 1.392 50 HB2 ARG 9 HB2 ARG 9 7.320 0.769 0.428 51 HB3 ARG 9 HB1 ARG 9 7.224 -0.761 -0.441 52 HG2 ARG 9 HG2 ARG 9 5.818 0.363 -2.179 53 HG3 ARG 9 HG1 ARG 9 6.062 1.894 -1.340 54 HD2 ARG 9 HD2 ARG 9 8.494 1.686 -1.638 55 HD3 ARG 9 HD1 ARG 9 8.266 0.149 -2.468 56 HE ARG 9 HE ARG 9 6.720 2.102 -3.780 57 HH11 ARG 9 1HH2 ARG 9 10.016 1.271 -3.132 58 HH12 ARG 9 2HH2 ARG 9 10.624 1.972 -4.594 59 HH21 ARG 9 1HH1 ARG 9 7.511 3.023 -5.699 60 HH22 ARG 9 2HH1 ARG 9 9.207 2.965 -6.048 61 H TYR 10 H TYR 10 3.594 0.929 -1.050 62 HA TYR 10 HA TYR 10 3.547 3.498 0.325 63 HB2 TYR 10 HB2 TYR 10 3.455 3.313 -2.173 64 HB3 TYR 10 HB1 TYR 10 1.872 2.551 -2.009 65 HD1 TYR 10 HD1 TYR 10 3.735 5.589 -0.842 66 HD2 TYR 10 HD2 TYR 10 -0.035 3.911 -2.034 67 HE1 TYR 10 HE1 TYR 10 2.683 7.827 -0.666 68 HE2 TYR 10 HE2 TYR 10 -1.085 6.150 -1.859 69 HH TYR 10 HH TYR 10 0.745 8.952 -0.671 70 H ARG 11 H ARG 11 2.264 3.867 2.006 71 HA ARG 11 HA ARG 11 -0.016 2.099 2.511 72 HB2 ARG 11 HB2 ARG 11 1.552 2.523 4.355 73 HB3 ARG 11 HB1 ARG 11 1.228 4.252 4.238 74 HG2 ARG 11 HG2 ARG 11 -1.099 3.919 4.836 75 HG3 ARG 11 HG1 ARG 11 -0.904 2.166 4.780 76 HD2 ARG 11 HD2 ARG 11 0.671 2.253 6.650 77 HD3 ARG 11 HD1 ARG 11 0.577 4.011 6.675 78 HE ARG 11 HE ARG 11 -2.030 3.090 6.962 79 HH11 ARG 11 1HH2 ARG 11 1.009 2.826 8.596 80 HH12 ARG 11 2HH2 ARG 11 0.305 2.654 10.169 81 HH21 ARG 11 1HH1 ARG 11 -2.960 2.865 9.022 82 HH22 ARG 11 2HH1 ARG 11 -1.942 2.676 10.411 83 H ABA 12 H ABA 12 -2.068 2.689 2.196 84 HA ABA 12 HA ABA 12 -2.891 5.460 2.287 85 HB3 ABA 12 HB1 ABA 12 -1.938 4.894 -0.082 86 HB2 ABA 12 HB2 ABA 12 -3.455 5.780 0.062 87 HG1 ABA 12 HG ABA 12 -4.722 3.658 -0.361 88 H ARG 13 H ARG 13 -5.210 5.704 2.160 89 HA ARG 13 HA ARG 13 -6.594 3.521 3.412 90 HB2 ARG 13 HB2 ARG 13 -7.505 6.229 2.417 91 HB3 ARG 13 HB1 ARG 13 -8.572 5.081 3.227 92 HG2 ARG 13 HG2 ARG 13 -7.109 5.078 5.199 93 HG3 ARG 13 HG1 ARG 13 -6.002 6.190 4.393 94 HD2 ARG 13 HD2 ARG 13 -7.775 7.885 4.261 95 HD3 ARG 13 HD1 ARG 13 -8.908 6.776 5.028 96 HE ARG 13 HE ARG 13 -6.660 7.057 6.705 97 HH11 ARG 13 1HH2 ARG 13 -9.322 8.870 5.438 98 HH12 ARG 13 2HH2 ARG 13 -9.432 9.926 6.805 99 HH21 ARG 13 1HH1 ARG 13 -6.799 8.439 8.501 100 HH22 ARG 13 2HH1 ARG 13 -8.004 9.683 8.540 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 -2.208 4.050 -5.245 2 H2 GLY 1 HT2 GLY 1 -2.626 4.315 -6.870 3 H3 GLY 1 HT3 GLY 1 -1.590 5.397 -6.070 4 HA2 GLY 1 HA2 GLY 1 -0.612 3.629 -7.676 5 HA3 GLY 1 HA1 GLY 1 0.206 3.999 -6.156 6 H CYS 2 H CYS 2 0.924 2.163 -5.257 7 HA CYS 2 HA CYS 2 -0.513 -0.347 -5.656 8 HB2 CYS 2 HB2 CYS 2 2.039 -0.032 -5.731 9 HB3 CYS 2 HB1 CYS 2 1.940 0.053 -3.973 10 H ABA 3 H ABA 3 -2.086 1.321 -4.267 11 HA ABA 3 HA ABA 3 -1.772 0.899 -1.405 12 HB3 ABA 3 HB1 ABA 3 -4.305 1.968 -2.558 13 HB2 ABA 3 HB2 ABA 3 -2.851 2.952 -2.725 14 HG1 ABA 3 HG ABA 3 -3.209 1.895 0.036 15 H SER 4 H SER 4 -3.401 -0.549 -4.092 16 HA SER 4 HA SER 4 -5.506 -1.851 -2.739 17 HB2 SER 4 HB2 SER 4 -5.601 -3.315 -4.688 18 HB3 SER 4 HB1 SER 4 -5.350 -1.651 -5.207 19 HG SER 4 HG SER 4 -3.099 -3.210 -4.674 20 H ASP 5 H ASP 5 -2.091 -2.517 -2.946 21 HA ASP 5 HA ASP 5 -2.498 -5.157 -1.739 22 HB2 ASP 5 HB2 ASP 5 -0.025 -3.948 -2.976 23 HB3 ASP 5 HB1 ASP 5 -0.130 -5.569 -2.286 24 HA PRO 6 HA PRO 6 -1.281 -3.106 2.099 25 HB2 PRO 6 HB2 PRO 6 -1.342 -5.283 3.745 26 HB3 PRO 6 HB1 PRO 6 -2.802 -4.430 3.211 27 HG2 PRO 6 HG2 PRO 6 -1.630 -6.976 2.226 28 HG3 PRO 6 HG1 PRO 6 -3.325 -6.523 2.456 29 HD2 PRO 6 HD2 PRO 6 -2.068 -6.537 0.017 30 HD3 PRO 6 HD1 PRO 6 -3.468 -5.505 0.394 31 H ARG 7 H ARG 7 0.370 -5.687 0.528 32 HA ARG 7 HA ARG 7 2.649 -5.699 2.320 33 HB2 ARG 7 HB2 ARG 7 2.215 -7.000 -0.377 34 HB3 ARG 7 HB1 ARG 7 3.622 -7.258 0.656 35 HG2 ARG 7 HG2 ARG 7 2.249 -8.201 2.407 36 HG3 ARG 7 HG1 ARG 7 0.772 -7.768 1.545 37 HD2 ARG 7 HD2 ARG 7 2.873 -9.676 0.486 38 HD3 ARG 7 HD1 ARG 7 1.385 -10.179 1.284 39 HE ARG 7 HE ARG 7 0.668 -8.465 -0.808 40 HH11 ARG 7 1HH2 ARG 7 2.212 -11.520 -0.305 41 HH12 ARG 7 2HH2 ARG 7 1.696 -12.187 -1.817 42 HH21 ARG 7 1HH1 ARG 7 -0.014 -9.333 -2.794 43 HH22 ARG 7 2HH1 ARG 7 0.436 -10.948 -3.227 44 H CYS 8 H CYS 8 1.592 -3.711 -0.203 45 HA CYS 8 HA CYS 8 4.158 -3.092 -1.326 46 HB2 CYS 8 HB2 CYS 8 1.368 -2.365 -1.744 47 HB3 CYS 8 HB1 CYS 8 2.452 -0.990 -1.893 48 H ARG 9 H ARG 9 5.216 -1.024 -1.146 49 HA ARG 9 HA ARG 9 5.596 -0.151 1.505 50 HB2 ARG 9 HB2 ARG 9 6.960 1.630 0.525 51 HB3 ARG 9 HB1 ARG 9 7.297 0.092 -0.266 52 HG2 ARG 9 HG2 ARG 9 5.741 0.716 -2.099 53 HG3 ARG 9 HG1 ARG 9 5.472 2.277 -1.322 54 HD2 ARG 9 HD2 ARG 9 7.154 2.550 -3.043 55 HD3 ARG 9 HD1 ARG 9 7.922 2.727 -1.472 56 HE ARG 9 HE ARG 9 8.175 0.414 -3.287 57 HH11 ARG 9 1HH2 ARG 9 9.061 2.076 -0.378 58 HH12 ARG 9 2HH2 ARG 9 10.462 1.104 -0.098 59 HH21 ARG 9 1HH1 ARG 9 10.009 -0.856 -2.918 60 HH22 ARG 9 2HH1 ARG 9 11.001 -0.555 -1.529 61 H TYR 10 H TYR 10 3.336 0.807 -0.949 62 HA TYR 10 HA TYR 10 2.541 3.173 0.622 63 HB2 TYR 10 HB2 TYR 10 2.978 3.403 -1.851 64 HB3 TYR 10 HB1 TYR 10 1.591 2.348 -2.127 65 HD1 TYR 10 HD2 TYR 10 2.621 5.537 -0.487 66 HD2 TYR 10 HD1 TYR 10 -0.613 3.207 -2.085 67 HE1 TYR 10 HE2 TYR 10 1.099 7.479 -0.235 68 HE2 TYR 10 HE1 TYR 10 -2.136 5.150 -1.834 69 HH TYR 10 HH TYR 10 -1.739 7.796 -1.755 70 H ARG 11 H ARG 11 1.023 2.799 2.090 71 HA ARG 11 HA ARG 11 -1.060 0.779 1.521 72 HB2 ARG 11 HB2 ARG 11 0.086 1.769 4.134 73 HB3 ARG 11 HB1 ARG 11 -1.359 0.767 4.017 74 HG2 ARG 11 HG2 ARG 11 -0.118 -1.015 2.951 75 HG3 ARG 11 HG1 ARG 11 1.320 0.001 2.827 76 HD2 ARG 11 HD2 ARG 11 1.542 -1.530 4.725 77 HD3 ARG 11 HD1 ARG 11 1.424 0.130 5.301 78 HE ARG 11 HE ARG 11 -1.148 -1.121 5.194 79 HH11 ARG 11 1HH2 ARG 11 1.815 -0.919 6.970 80 HH12 ARG 11 2HH2 ARG 11 1.094 -1.342 8.488 81 HH21 ARG 11 1HH1 ARG 11 -2.100 -1.676 7.181 82 HH22 ARG 11 2HH1 ARG 11 -1.122 -1.770 8.606 83 H ABA 12 H ABA 12 -0.909 3.725 0.832 84 HA ABA 12 HA ABA 12 -2.302 5.540 0.765 85 HB3 ABA 12 HB1 ABA 12 -4.722 5.031 1.002 86 HB2 ABA 12 HB2 ABA 12 -4.303 3.404 1.529 87 HG1 ABA 12 HG ABA 12 -4.128 4.508 -1.260 88 H ARG 13 H ARG 13 -4.465 6.319 2.266 89 HA ARG 13 HA ARG 13 -3.180 7.097 4.735 90 HB2 ARG 13 HB2 ARG 13 -6.026 7.629 3.851 91 HB3 ARG 13 HB1 ARG 13 -5.112 8.505 5.073 92 HG2 ARG 13 HG2 ARG 13 -4.244 8.357 2.177 93 HG3 ARG 13 HG1 ARG 13 -5.273 9.643 2.801 94 HD2 ARG 13 HD2 ARG 13 -3.498 10.157 4.500 95 HD3 ARG 13 HD1 ARG 13 -2.460 8.974 3.711 96 HE ARG 13 HE ARG 13 -3.165 11.602 2.694 97 HH11 ARG 13 1HH2 ARG 13 -1.921 8.433 2.071 98 HH12 ARG 13 2HH2 ARG 13 -1.039 8.907 0.659 99 HH21 ARG 13 1HH1 ARG 13 -2.008 12.231 0.844 100 HH22 ARG 13 2HH1 ARG 13 -1.088 11.057 -0.036 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 -0.150 4.344 -8.179 2 H2 GLY 1 HT2 GLY 1 0.844 3.955 -6.856 3 H3 GLY 1 HT3 GLY 1 -0.801 3.532 -6.839 4 HA2 GLY 1 HA2 GLY 1 0.059 2.341 -9.104 5 HA3 GLY 1 HA1 GLY 1 1.439 2.165 -8.020 6 H CYS 2 H CYS 2 1.208 0.986 -6.086 7 HA CYS 2 HA CYS 2 -1.172 -0.765 -6.015 8 HB2 CYS 2 HB2 CYS 2 0.310 -2.332 -4.768 9 HB3 CYS 2 HB1 CYS 2 0.835 -2.020 -6.417 10 H ABA 3 H ABA 3 -2.118 1.122 -4.875 11 HA ABA 3 HA ABA 3 -1.230 1.552 -2.138 12 HB3 ABA 3 HB1 ABA 3 -3.810 2.625 -3.213 13 HB2 ABA 3 HB2 ABA 3 -2.290 3.286 -3.813 14 HG1 ABA 3 HG ABA 3 -1.757 4.180 -1.632 15 H SER 4 H SER 4 -3.768 -0.118 -3.872 16 HA SER 4 HA SER 4 -5.420 -0.671 -1.624 17 HB2 SER 4 HB2 SER 4 -6.543 -2.257 -3.073 18 HB3 SER 4 HB1 SER 4 -6.188 -0.796 -3.990 19 HG SER 4 HG SER 4 -5.037 -3.346 -4.126 20 H ASP 5 H ASP 5 -2.484 -2.036 -2.822 21 HA ASP 5 HA ASP 5 -2.822 -4.515 -1.368 22 HB2 ASP 5 HB2 ASP 5 -0.475 -3.504 -2.941 23 HB3 ASP 5 HB1 ASP 5 -0.638 -5.124 -2.269 24 HA PRO 6 HA PRO 6 -0.926 -2.538 2.242 25 HB2 PRO 6 HB2 PRO 6 -1.183 -4.648 3.961 26 HB3 PRO 6 HB1 PRO 6 -2.534 -3.583 3.523 27 HG2 PRO 6 HG2 PRO 6 -1.868 -6.306 2.535 28 HG3 PRO 6 HG1 PRO 6 -3.447 -5.581 2.876 29 HD2 PRO 6 HD2 PRO 6 -2.391 -5.845 0.353 30 HD3 PRO 6 HD1 PRO 6 -3.606 -4.620 0.807 31 H ARG 7 H ARG 7 0.132 -5.307 0.527 32 HA ARG 7 HA ARG 7 2.489 -5.804 2.110 33 HB2 ARG 7 HB2 ARG 7 1.693 -6.755 -0.652 34 HB3 ARG 7 HB1 ARG 7 3.099 -7.328 0.248 35 HG2 ARG 7 HG2 ARG 7 1.699 -8.215 2.006 36 HG3 ARG 7 HG1 ARG 7 0.262 -7.475 1.299 37 HD2 ARG 7 HD2 ARG 7 1.961 -9.586 -0.060 38 HD3 ARG 7 HD1 ARG 7 0.442 -9.905 0.772 39 HE ARG 7 HE ARG 7 -0.074 -7.906 -1.105 40 HH11 ARG 7 1HH2 ARG 7 1.022 -11.188 -1.007 41 HH12 ARG 7 2HH2 ARG 7 0.362 -11.599 -2.553 42 HH21 ARG 7 1HH1 ARG 7 -0.943 -8.440 -3.135 43 HH22 ARG 7 2HH1 ARG 7 -0.750 -10.044 -3.758 44 H CYS 8 H CYS 8 1.594 -3.487 -0.228 45 HA CYS 8 HA CYS 8 4.191 -3.142 -1.415 46 HB2 CYS 8 HB2 CYS 8 1.503 -2.026 -1.718 47 HB3 CYS 8 HB1 CYS 8 2.775 -0.828 -1.857 48 H ARG 9 H ARG 9 5.374 -1.055 -1.247 49 HA ARG 9 HA ARG 9 6.106 -0.514 1.397 50 HB2 ARG 9 HB2 ARG 9 7.558 -0.069 -0.551 51 HB3 ARG 9 HB1 ARG 9 6.478 1.235 -1.048 52 HG2 ARG 9 HG2 ARG 9 6.917 2.446 1.015 53 HG3 ARG 9 HG1 ARG 9 7.897 1.113 1.623 54 HD2 ARG 9 HD2 ARG 9 9.342 2.875 0.718 55 HD3 ARG 9 HD1 ARG 9 9.466 1.420 -0.267 56 HE ARG 9 HE ARG 9 8.435 2.569 -2.021 57 HH11 ARG 9 1HH2 ARG 9 8.241 4.320 0.957 58 HH12 ARG 9 2HH2 ARG 9 7.664 5.779 0.222 59 HH21 ARG 9 1HH1 ARG 9 7.679 4.478 -2.993 60 HH22 ARG 9 2HH1 ARG 9 7.346 5.868 -2.013 61 H TYR 10 H TYR 10 3.967 1.252 -0.826 62 HA TYR 10 HA TYR 10 3.210 3.054 1.375 63 HB2 TYR 10 HB2 TYR 10 3.869 4.065 -0.800 64 HB3 TYR 10 HB1 TYR 10 2.522 3.224 -1.567 65 HD1 TYR 10 HD2 TYR 10 3.224 5.466 1.359 66 HD2 TYR 10 HD1 TYR 10 0.461 4.315 -1.722 67 HE1 TYR 10 HE2 TYR 10 1.691 7.287 2.054 68 HE2 TYR 10 HE1 TYR 10 -1.071 6.137 -1.027 69 HH TYR 10 HH TYR 10 -0.687 7.843 1.903 70 H ARG 11 H ARG 11 1.493 2.481 2.531 71 HA ARG 11 HA ARG 11 -0.600 0.825 1.269 72 HB2 ARG 11 HB2 ARG 11 0.452 -0.157 3.262 73 HB3 ARG 11 HB1 ARG 11 0.019 1.272 4.200 74 HG2 ARG 11 HG2 ARG 11 -2.348 0.836 3.877 75 HG3 ARG 11 HG1 ARG 11 -1.991 -0.499 2.780 76 HD2 ARG 11 HD2 ARG 11 -0.915 -1.739 4.590 77 HD3 ARG 11 HD1 ARG 11 -1.165 -0.389 5.694 78 HE ARG 11 HE ARG 11 -3.675 -1.078 4.700 79 HH11 ARG 11 1HH2 ARG 11 -1.098 -2.519 6.504 80 HH12 ARG 11 2HH2 ARG 11 -2.134 -3.572 7.407 81 HH21 ARG 11 1HH1 ARG 11 -5.041 -2.456 5.881 82 HH22 ARG 11 2HH1 ARG 11 -4.366 -3.537 7.054 83 H ABA 12 H ABA 12 -2.582 1.626 0.954 84 HA ABA 12 HA ABA 12 -3.423 3.984 2.446 85 HB3 ABA 12 HB1 ABA 12 -2.501 4.832 0.360 86 HB2 ABA 12 HB2 ABA 12 -4.248 5.060 0.407 87 HG1 ABA 12 HG ABA 12 -4.452 2.909 -0.972 88 H ARG 13 H ARG 13 -4.057 1.049 1.126 89 HA ARG 13 HA ARG 13 -6.633 0.853 2.301 90 HB2 ARG 13 HB2 ARG 13 -7.312 2.280 0.423 91 HB3 ARG 13 HB1 ARG 13 -6.608 1.134 -0.715 92 HG2 ARG 13 HG2 ARG 13 -8.185 -0.580 -0.072 93 HG3 ARG 13 HG1 ARG 13 -8.792 0.411 1.255 94 HD2 ARG 13 HD2 ARG 13 -8.941 1.229 -1.656 95 HD3 ARG 13 HD1 ARG 13 -10.253 0.424 -0.801 96 HE ARG 13 HE ARG 13 -9.518 2.652 0.722 97 HH11 ARG 13 1HH2 ARG 13 -10.797 1.897 -2.403 98 HH12 ARG 13 2HH2 ARG 13 -11.704 3.366 -2.540 99 HH21 ARG 13 1HH1 ARG 13 -10.705 4.581 0.550 100 HH22 ARG 13 2HH1 ARG 13 -11.652 4.886 -0.868 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 -2.246 2.602 -7.047 2 H2 GLY 1 HT2 GLY 1 -2.378 3.040 -8.683 3 H3 GLY 1 HT3 GLY 1 -1.113 3.660 -7.735 4 HA2 GLY 1 HA2 GLY 1 -1.160 1.305 -9.262 5 HA3 GLY 1 HA1 GLY 1 0.174 1.979 -8.325 6 H CYS 2 H CYS 2 0.633 1.162 -6.302 7 HA CYS 2 HA CYS 2 -0.844 -1.282 -5.549 8 HB2 CYS 2 HB2 CYS 2 1.124 -2.022 -4.484 9 HB3 CYS 2 HB1 CYS 2 1.619 -1.393 -6.048 10 H ABA 3 H ABA 3 -2.110 0.925 -4.880 11 HA ABA 3 HA ABA 3 -1.419 1.795 -2.198 12 HB3 ABA 3 HB1 ABA 3 -4.054 2.434 -3.458 13 HB2 ABA 3 HB2 ABA 3 -2.595 3.149 -4.143 14 HG1 ABA 3 HG ABA 3 -2.480 4.639 -2.312 15 H SER 4 H SER 4 -3.933 -0.144 -3.768 16 HA SER 4 HA SER 4 -5.334 -0.697 -1.326 17 HB2 SER 4 HB2 SER 4 -6.658 -2.220 -2.661 18 HB3 SER 4 HB1 SER 4 -6.397 -0.746 -3.588 19 HG SER 4 HG SER 4 -5.963 -3.013 -4.521 20 H ASP 5 H ASP 5 -2.487 -1.892 -2.762 21 HA ASP 5 HA ASP 5 -2.673 -4.525 -1.609 22 HB2 ASP 5 HB2 ASP 5 -0.382 -3.157 -2.986 23 HB3 ASP 5 HB1 ASP 5 -0.420 -4.855 -2.501 24 HA PRO 6 HA PRO 6 -0.961 -2.916 2.274 25 HB2 PRO 6 HB2 PRO 6 -1.159 -5.216 3.703 26 HB3 PRO 6 HB1 PRO 6 -2.555 -4.179 3.351 27 HG2 PRO 6 HG2 PRO 6 -1.712 -6.725 2.072 28 HG3 PRO 6 HG1 PRO 6 -3.338 -6.131 2.446 29 HD2 PRO 6 HD2 PRO 6 -2.202 -6.032 -0.054 30 HD3 PRO 6 HD1 PRO 6 -3.497 -4.942 0.503 31 H ARG 7 H ARG 7 0.231 -5.508 0.344 32 HA ARG 7 HA ARG 7 2.599 -5.995 1.918 33 HB2 ARG 7 HB2 ARG 7 1.788 -6.856 -0.867 34 HB3 ARG 7 HB1 ARG 7 3.280 -7.362 -0.071 35 HG2 ARG 7 HG2 ARG 7 2.040 -8.424 1.716 36 HG3 ARG 7 HG1 ARG 7 0.516 -7.782 1.100 37 HD2 ARG 7 HD2 ARG 7 0.729 -10.102 0.402 38 HD3 ARG 7 HD1 ARG 7 0.881 -9.064 -1.011 39 HE ARG 7 HE ARG 7 3.449 -9.588 0.083 40 HH11 ARG 7 1HH2 ARG 7 0.835 -11.051 -1.651 41 HH12 ARG 7 2HH2 ARG 7 1.841 -12.195 -2.477 42 HH21 ARG 7 1HH1 ARG 7 4.774 -11.085 -0.997 43 HH22 ARG 7 2HH1 ARG 7 4.071 -12.213 -2.107 44 H CYS 8 H CYS 8 1.619 -3.572 -0.229 45 HA CYS 8 HA CYS 8 4.209 -3.068 -1.427 46 HB2 CYS 8 HB2 CYS 8 1.793 -2.472 -2.301 47 HB3 CYS 8 HB1 CYS 8 2.037 -1.012 -1.344 48 H ARG 9 H ARG 9 5.439 -1.129 -1.066 49 HA ARG 9 HA ARG 9 6.016 -0.643 1.628 50 HB2 ARG 9 HB2 ARG 9 7.624 -0.252 -0.193 51 HB3 ARG 9 HB1 ARG 9 6.635 1.086 -0.778 52 HG2 ARG 9 HG2 ARG 9 6.979 2.322 1.265 53 HG3 ARG 9 HG1 ARG 9 7.792 0.948 2.012 54 HD2 ARG 9 HD2 ARG 9 9.453 2.567 1.229 55 HD3 ARG 9 HD1 ARG 9 9.568 1.085 0.286 56 HE ARG 9 HE ARG 9 7.816 2.965 -0.963 57 HH11 ARG 9 1HH2 ARG 9 11.134 2.201 -0.345 58 HH12 ARG 9 2HH2 ARG 9 11.724 2.992 -1.767 59 HH21 ARG 9 1HH1 ARG 9 8.583 4.005 -2.832 60 HH22 ARG 9 2HH1 ARG 9 10.281 4.013 -3.175 61 H TYR 10 H TYR 10 4.089 1.216 -0.706 62 HA TYR 10 HA TYR 10 3.291 3.057 1.447 63 HB2 TYR 10 HB2 TYR 10 4.078 4.099 -0.626 64 HB3 TYR 10 HB1 TYR 10 2.861 3.214 -1.547 65 HD1 TYR 10 HD2 TYR 10 3.216 5.594 1.322 66 HD2 TYR 10 HD1 TYR 10 0.721 4.129 -1.853 67 HE1 TYR 10 HE2 TYR 10 1.554 7.367 1.810 68 HE2 TYR 10 HE1 TYR 10 -0.942 5.902 -1.365 69 HH TYR 10 HH TYR 10 -1.161 7.971 -0.298 70 H ARG 11 H ARG 11 1.419 2.744 2.454 71 HA ARG 11 HA ARG 11 -0.642 1.089 1.128 72 HB2 ARG 11 HB2 ARG 11 -0.068 1.562 4.061 73 HB3 ARG 11 HB1 ARG 11 -1.474 0.684 3.456 74 HG2 ARG 11 HG2 ARG 11 0.128 -0.838 2.219 75 HG3 ARG 11 HG1 ARG 11 1.441 -0.052 3.097 76 HD2 ARG 11 HD2 ARG 11 -0.919 -1.440 4.396 77 HD3 ARG 11 HD1 ARG 11 0.683 -2.148 4.206 78 HE ARG 11 HE ARG 11 -0.079 -0.046 6.081 79 HH11 ARG 11 1HH2 ARG 11 2.421 -1.804 4.455 80 HH12 ARG 11 2HH2 ARG 11 3.641 -1.418 5.620 81 HH21 ARG 11 1HH1 ARG 11 1.518 0.467 7.612 82 HH22 ARG 11 2HH1 ARG 11 3.131 -0.132 7.407 83 H ABA 12 H ABA 12 -2.735 1.804 1.007 84 HA ABA 12 HA ABA 12 -3.385 4.417 2.186 85 HB3 ABA 12 HB1 ABA 12 -2.702 5.030 -0.023 86 HB2 ABA 12 HB2 ABA 12 -4.464 5.056 -0.007 87 HG1 ABA 12 HG ABA 12 -4.118 2.496 -0.867 88 H ARG 13 H ARG 13 -5.855 4.845 1.340 89 HA ARG 13 HA ARG 13 -7.390 2.835 2.682 90 HB2 ARG 13 HB2 ARG 13 -8.142 5.320 1.138 91 HB3 ARG 13 HB1 ARG 13 -9.338 4.262 1.888 92 HG2 ARG 13 HG2 ARG 13 -8.166 4.557 4.075 93 HG3 ARG 13 HG1 ARG 13 -7.081 5.712 3.301 94 HD2 ARG 13 HD2 ARG 13 -10.093 5.997 3.344 95 HD3 ARG 13 HD1 ARG 13 -9.028 6.771 4.499 96 HE ARG 13 HE ARG 13 -8.164 8.144 2.730 97 HH11 ARG 13 1HH2 ARG 13 -10.711 5.994 1.785 98 HH12 ARG 13 2HH2 ARG 13 -11.071 6.845 0.325 99 HH21 ARG 13 1HH1 ARG 13 -8.634 9.262 0.811 100 HH22 ARG 13 2HH1 ARG 13 -9.897 8.693 -0.228 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 -1.397 3.701 -6.587 2 H2 GLY 1 HT2 GLY 1 -1.945 3.466 -8.178 3 H3 GLY 1 HT3 GLY 1 -0.734 4.614 -7.854 4 HA2 GLY 1 HA2 GLY 1 -0.027 2.379 -8.841 5 HA3 GLY 1 HA1 GLY 1 0.887 3.021 -7.476 6 H CYS 2 H CYS 2 1.012 1.840 -5.644 7 HA CYS 2 HA CYS 2 -0.611 -0.625 -5.503 8 HB2 CYS 2 HB2 CYS 2 1.153 -1.595 -4.235 9 HB3 CYS 2 HB1 CYS 2 1.860 -0.875 -5.671 10 H ABA 3 H ABA 3 -2.110 1.188 -4.710 11 HA ABA 3 HA ABA 3 -1.760 1.920 -1.918 12 HB3 ABA 3 HB1 ABA 3 -4.350 2.380 -3.306 13 HB2 ABA 3 HB2 ABA 3 -2.943 3.250 -3.916 14 HG1 ABA 3 HG ABA 3 -3.083 4.696 -2.056 15 H SER 4 H SER 4 -3.908 -0.130 -3.859 16 HA SER 4 HA SER 4 -5.499 -1.007 -1.657 17 HB2 SER 4 HB2 SER 4 -6.434 -2.601 -3.202 18 HB3 SER 4 HB1 SER 4 -6.202 -1.082 -4.063 19 HG SER 4 HG SER 4 -5.218 -3.463 -4.649 20 H ASP 5 H ASP 5 -2.399 -1.905 -2.870 21 HA ASP 5 HA ASP 5 -2.432 -4.539 -1.715 22 HB2 ASP 5 HB2 ASP 5 -0.162 -2.945 -2.854 23 HB3 ASP 5 HB1 ASP 5 -0.091 -4.646 -2.388 24 HA PRO 6 HA PRO 6 -1.121 -2.807 2.287 25 HB2 PRO 6 HB2 PRO 6 -1.378 -5.074 3.758 26 HB3 PRO 6 HB1 PRO 6 -2.785 -4.145 3.203 27 HG2 PRO 6 HG2 PRO 6 -1.627 -6.660 2.118 28 HG3 PRO 6 HG1 PRO 6 -3.323 -6.175 2.289 29 HD2 PRO 6 HD2 PRO 6 -1.890 -6.042 -0.079 30 HD3 PRO 6 HD1 PRO 6 -3.348 -5.087 0.287 31 H ARG 7 H ARG 7 0.279 -5.541 0.635 32 HA ARG 7 HA ARG 7 2.556 -5.802 2.379 33 HB2 ARG 7 HB2 ARG 7 2.075 -6.870 -0.417 34 HB3 ARG 7 HB1 ARG 7 3.391 -7.354 0.650 35 HG2 ARG 7 HG2 ARG 7 0.551 -7.551 1.618 36 HG3 ARG 7 HG1 ARG 7 1.201 -8.811 0.571 37 HD2 ARG 7 HD2 ARG 7 3.096 -9.109 2.167 38 HD3 ARG 7 HD1 ARG 7 2.365 -7.916 3.230 39 HE ARG 7 HE ARG 7 0.446 -9.898 2.700 40 HH11 ARG 7 1HH2 ARG 7 3.510 -9.466 4.248 41 HH12 ARG 7 2HH2 ARG 7 3.242 -10.705 5.430 42 HH21 ARG 7 1HH1 ARG 7 0.088 -11.524 4.246 43 HH22 ARG 7 2HH1 ARG 7 1.305 -11.869 5.428 44 H CYS 8 H CYS 8 1.749 -3.917 -0.422 45 HA CYS 8 HA CYS 8 4.357 -3.311 -1.330 46 HB2 CYS 8 HB2 CYS 8 2.301 -2.873 -2.647 47 HB3 CYS 8 HB1 CYS 8 1.863 -1.600 -1.510 48 H ARG 9 H ARG 9 5.602 -1.401 -0.989 49 HA ARG 9 HA ARG 9 5.975 -0.671 1.668 50 HB2 ARG 9 HB2 ARG 9 7.677 -0.376 -0.101 51 HB3 ARG 9 HB1 ARG 9 6.704 0.913 -0.809 52 HG2 ARG 9 HG2 ARG 9 6.907 2.242 1.219 53 HG3 ARG 9 HG1 ARG 9 7.769 0.930 2.023 54 HD2 ARG 9 HD2 ARG 9 9.363 2.605 1.212 55 HD3 ARG 9 HD1 ARG 9 9.571 1.094 0.332 56 HE ARG 9 HE ARG 9 8.807 2.162 -1.599 57 HH11 ARG 9 1HH2 ARG 9 8.259 4.077 1.230 58 HH12 ARG 9 2HH2 ARG 9 7.810 5.499 0.349 59 HH21 ARG 9 1HH1 ARG 9 8.219 4.022 -2.762 60 HH22 ARG 9 2HH1 ARG 9 7.788 5.468 -1.911 61 H TYR 10 H TYR 10 4.198 1.002 -0.924 62 HA TYR 10 HA TYR 10 3.208 2.955 1.039 63 HB2 TYR 10 HB2 TYR 10 4.103 3.865 -1.060 64 HB3 TYR 10 HB1 TYR 10 2.954 2.894 -1.979 65 HD1 TYR 10 HD2 TYR 10 3.230 5.613 0.550 66 HD2 TYR 10 HD1 TYR 10 0.698 3.599 -2.276 67 HE1 TYR 10 HE2 TYR 10 1.513 7.383 0.826 68 HE2 TYR 10 HE1 TYR 10 -1.017 5.368 -2.000 69 HH TYR 10 HH TYR 10 -0.547 8.038 0.313 70 H ARG 11 H ARG 11 1.237 2.759 1.884 71 HA ARG 11 HA ARG 11 -0.783 1.154 0.440 72 HB2 ARG 11 HB2 ARG 11 -1.512 0.192 2.569 73 HB3 ARG 11 HB1 ARG 11 0.186 -0.185 2.280 74 HG2 ARG 11 HG2 ARG 11 0.817 1.770 3.706 75 HG3 ARG 11 HG1 ARG 11 -0.891 2.014 4.072 76 HD2 ARG 11 HD2 ARG 11 -1.012 -0.267 5.014 77 HD3 ARG 11 HD1 ARG 11 0.700 -0.497 4.666 78 HE ARG 11 HE ARG 11 0.377 1.837 6.233 79 HH11 ARG 11 1HH2 ARG 11 0.105 -1.610 6.385 80 HH12 ARG 11 2HH2 ARG 11 0.472 -1.702 8.075 81 HH21 ARG 11 1HH1 ARG 11 0.860 1.723 8.450 82 HH22 ARG 11 2HH1 ARG 11 0.900 0.184 9.244 83 H ABA 12 H ABA 12 -2.992 1.663 0.994 84 HA ABA 12 HA ABA 12 -3.383 4.255 2.321 85 HB3 ABA 12 HB1 ABA 12 -3.425 5.069 0.162 86 HB2 ABA 12 HB2 ABA 12 -5.121 4.633 0.377 87 HG1 ABA 12 HG ABA 12 -4.368 2.299 -0.663 88 H ARG 13 H ARG 13 -5.971 4.651 2.186 89 HA ARG 13 HA ARG 13 -7.921 4.032 3.256 90 HB2 ARG 13 HB2 ARG 13 -7.647 1.373 1.877 91 HB3 ARG 13 HB1 ARG 13 -9.100 2.330 2.161 92 HG2 ARG 13 HG2 ARG 13 -6.851 3.050 0.252 93 HG3 ARG 13 HG1 ARG 13 -8.442 2.453 -0.211 94 HD2 ARG 13 HD2 ARG 13 -7.821 5.065 1.191 95 HD3 ARG 13 HD1 ARG 13 -8.448 4.863 -0.439 96 HE ARG 13 HE ARG 13 -9.961 4.667 2.029 97 HH11 ARG 13 1HH2 ARG 13 -9.734 3.879 -1.333 98 HH12 ARG 13 2HH2 ARG 13 -11.441 3.670 -1.540 99 HH21 ARG 13 1HH1 ARG 13 -12.199 4.393 1.766 100 HH22 ARG 13 2HH1 ARG 13 -12.836 3.960 0.214 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 -0.955 3.769 -1.650 2 H2 GLY 1 HT2 GLY 1 0.106 5.096 -1.678 3 H3 GLY 1 HT3 GLY 1 0.699 3.536 -1.360 4 HA2 GLY 1 HA2 GLY 1 -0.134 4.731 -3.909 5 HA3 GLY 1 HA1 GLY 1 1.283 3.744 -3.546 6 H CYS 2 H CYS 2 1.101 1.503 -3.474 7 HA CYS 2 HA CYS 2 -0.970 0.387 -5.115 8 HB2 CYS 2 HB2 CYS 2 0.375 -1.746 -3.989 9 HB3 CYS 2 HB1 CYS 2 0.775 -0.956 -5.500 10 H ABA 3 H ABA 3 -2.252 1.528 -3.090 11 HA ABA 3 HA ABA 3 -2.816 0.226 -0.741 12 HB3 ABA 3 HB1 ABA 3 -4.925 1.298 -0.730 13 HB2 ABA 3 HB2 ABA 3 -5.023 1.303 -2.489 14 HG1 ABA 3 HG ABA 3 -3.161 3.015 -2.554 15 H SER 4 H SER 4 -3.577 -0.796 -3.974 16 HA SER 4 HA SER 4 -5.633 -2.645 -3.410 17 HB2 SER 4 HB2 SER 4 -5.074 -3.629 -5.575 18 HB3 SER 4 HB1 SER 4 -5.063 -1.871 -5.684 19 HG SER 4 HG SER 4 -3.193 -3.224 -6.544 20 H ASP 5 H ASP 5 -2.155 -2.837 -3.069 21 HA ASP 5 HA ASP 5 -2.401 -5.672 -2.315 22 HB2 ASP 5 HB2 ASP 5 0.054 -4.165 -3.178 23 HB3 ASP 5 HB1 ASP 5 -0.025 -5.874 -2.726 24 HA PRO 6 HA PRO 6 -1.805 -4.151 1.937 25 HB2 PRO 6 HB2 PRO 6 -1.041 -6.990 2.397 26 HB3 PRO 6 HB1 PRO 6 -2.235 -5.989 3.244 27 HG2 PRO 6 HG2 PRO 6 -2.949 -7.902 1.522 28 HG3 PRO 6 HG1 PRO 6 -3.872 -6.402 1.710 29 HD2 PRO 6 HD2 PRO 6 -2.074 -7.235 -0.529 30 HD3 PRO 6 HD1 PRO 6 -3.506 -6.179 -0.526 31 H ARG 7 H ARG 7 0.477 -6.061 0.080 32 HA ARG 7 HA ARG 7 2.698 -5.633 1.881 33 HB2 ARG 7 HB2 ARG 7 2.520 -6.768 -0.915 34 HB3 ARG 7 HB1 ARG 7 4.021 -6.658 0.006 35 HG2 ARG 7 HG2 ARG 7 3.023 -8.023 1.805 36 HG3 ARG 7 HG1 ARG 7 1.522 -8.136 0.884 37 HD2 ARG 7 HD2 ARG 7 2.727 -9.258 -0.950 38 HD3 ARG 7 HD1 ARG 7 4.230 -9.138 -0.041 39 HE ARG 7 HE ARG 7 2.318 -10.452 1.560 40 HH11 ARG 7 1HH2 ARG 7 4.153 -10.867 -1.344 41 HH12 ARG 7 2HH2 ARG 7 4.222 -12.593 -1.218 42 HH21 ARG 7 1HH1 ARG 7 2.406 -12.715 1.733 43 HH22 ARG 7 2HH1 ARG 7 3.233 -13.640 0.525 44 H CYS 8 H CYS 8 1.111 -3.573 -0.108 45 HA CYS 8 HA CYS 8 3.019 -2.304 -1.679 46 HB2 CYS 8 HB2 CYS 8 0.604 -1.779 -1.680 47 HB3 CYS 8 HB1 CYS 8 0.779 -1.006 -0.108 48 H ARG 9 H ARG 9 4.766 -1.054 -1.253 49 HA ARG 9 HA ARG 9 5.839 -0.892 1.313 50 HB2 ARG 9 HB2 ARG 9 7.279 -0.766 -0.604 51 HB3 ARG 9 HB1 ARG 9 6.439 0.658 -1.210 52 HG2 ARG 9 HG2 ARG 9 8.588 1.241 -0.135 53 HG3 ARG 9 HG1 ARG 9 7.225 1.963 0.703 54 HD2 ARG 9 HD2 ARG 9 7.327 0.349 2.462 55 HD3 ARG 9 HD1 ARG 9 8.432 -0.677 1.552 56 HE ARG 9 HE ARG 9 9.681 1.805 1.909 57 HH11 ARG 9 1HH2 ARG 9 8.443 -0.834 3.775 58 HH12 ARG 9 2HH2 ARG 9 9.579 -0.637 5.066 59 HH21 ARG 9 1HH1 ARG 9 11.178 2.068 3.601 60 HH22 ARG 9 2HH1 ARG 9 11.129 1.006 4.968 61 H TYR 10 H TYR 10 4.134 1.565 -0.623 62 HA TYR 10 HA TYR 10 3.975 3.268 1.787 63 HB2 TYR 10 HB2 TYR 10 5.031 4.322 -0.166 64 HB3 TYR 10 HB1 TYR 10 3.591 3.987 -1.128 65 HD1 TYR 10 HD2 TYR 10 4.715 5.708 1.997 66 HD2 TYR 10 HD1 TYR 10 1.796 5.510 -1.148 67 HE1 TYR 10 HE2 TYR 10 3.674 7.798 2.832 68 HE2 TYR 10 HE1 TYR 10 0.754 7.600 -0.313 69 HH TYR 10 HH TYR 10 0.702 8.778 2.129 70 H ARG 11 H ARG 11 2.102 3.295 2.824 71 HA ARG 11 HA ARG 11 -0.267 2.110 1.690 72 HB2 ARG 11 HB2 ARG 11 0.177 3.576 4.302 73 HB3 ARG 11 HB1 ARG 11 -1.296 2.709 3.865 74 HG2 ARG 11 HG2 ARG 11 -0.108 0.610 3.737 75 HG3 ARG 11 HG1 ARG 11 1.446 1.422 3.929 76 HD2 ARG 11 HD2 ARG 11 -0.761 1.451 6.004 77 HD3 ARG 11 HD1 ARG 11 0.624 0.364 6.042 78 HE ARG 11 HE ARG 11 1.631 2.960 5.823 79 HH11 ARG 11 1HH2 ARG 11 -0.265 1.051 8.000 80 HH12 ARG 11 2HH2 ARG 11 0.264 1.893 9.418 81 HH21 ARG 11 1HH1 ARG 11 2.329 4.069 7.678 82 HH22 ARG 11 2HH1 ARG 11 1.733 3.602 9.236 83 H ABA 12 H ABA 12 -2.219 3.142 1.209 84 HA ABA 12 HA ABA 12 -1.967 6.029 0.640 85 HB3 ABA 12 HB1 ABA 12 -2.368 4.832 -1.381 86 HB2 ABA 12 HB2 ABA 12 -3.899 5.584 -0.938 87 HG1 ABA 12 HG ABA 12 -4.328 3.212 0.268 88 H ARG 13 H ARG 13 -4.201 7.144 0.618 89 HA ARG 13 HA ARG 13 -5.390 6.678 3.246 90 HB2 ARG 13 HB2 ARG 13 -4.701 8.969 2.543 91 HB3 ARG 13 HB1 ARG 13 -5.918 8.907 1.268 92 HG2 ARG 13 HG2 ARG 13 -7.686 8.598 2.945 93 HG3 ARG 13 HG1 ARG 13 -6.482 8.619 4.235 94 HD2 ARG 13 HD2 ARG 13 -7.022 10.890 2.303 95 HD3 ARG 13 HD1 ARG 13 -7.572 10.824 3.969 96 HE ARG 13 HE ARG 13 -5.308 11.063 4.699 97 HH11 ARG 13 1HH2 ARG 13 -5.725 11.212 1.264 98 HH12 ARG 13 2HH2 ARG 13 -4.192 11.960 0.980 99 HH21 ARG 13 1HH1 ARG 13 -3.300 12.041 4.326 100 HH22 ARG 13 2HH1 ARG 13 -2.819 12.428 2.708 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 0.047 3.255 -5.942 2 H2 GLY 1 HT2 GLY 1 -1.014 4.217 -6.858 3 H3 GLY 1 HT3 GLY 1 0.616 4.072 -7.316 4 HA2 GLY 1 HA2 GLY 1 -1.444 2.600 -8.301 5 HA3 GLY 1 HA1 GLY 1 0.268 2.194 -8.434 6 H CYS 2 H CYS 2 0.704 1.773 -5.625 7 HA CYS 2 HA CYS 2 -0.740 -0.786 -5.282 8 HB2 CYS 2 HB2 CYS 2 1.143 -1.628 -4.171 9 HB3 CYS 2 HB1 CYS 2 1.765 -0.796 -5.589 10 H ABA 3 H ABA 3 -2.072 1.351 -4.528 11 HA ABA 3 HA ABA 3 -1.673 1.962 -1.717 12 HB3 ABA 3 HB1 ABA 3 -3.933 2.725 -3.578 13 HB2 ABA 3 HB2 ABA 3 -2.474 3.678 -3.315 14 HG1 ABA 3 HG ABA 3 -4.767 3.305 -1.390 15 H SER 4 H SER 4 -3.408 -0.316 -3.611 16 HA SER 4 HA SER 4 -5.195 -0.977 -1.368 17 HB2 SER 4 HB2 SER 4 -5.209 -1.897 -4.250 18 HB3 SER 4 HB1 SER 4 -6.364 -2.407 -3.022 19 HG SER 4 HG SER 4 -6.337 -0.173 -4.502 20 H ASP 5 H ASP 5 -2.159 -1.751 -2.310 21 HA ASP 5 HA ASP 5 -2.452 -4.616 -1.784 22 HB2 ASP 5 HB2 ASP 5 -0.063 -3.077 -2.782 23 HB3 ASP 5 HB1 ASP 5 -0.150 -4.829 -2.563 24 HA PRO 6 HA PRO 6 -0.984 -3.525 2.372 25 HB2 PRO 6 HB2 PRO 6 -1.149 -6.005 3.485 26 HB3 PRO 6 HB1 PRO 6 -2.563 -4.967 3.214 27 HG2 PRO 6 HG2 PRO 6 -1.593 -7.294 1.638 28 HG3 PRO 6 HG1 PRO 6 -3.248 -6.801 2.032 29 HD2 PRO 6 HD2 PRO 6 -2.038 -6.333 -0.399 30 HD3 PRO 6 HD1 PRO 6 -3.377 -5.354 0.248 31 H ARG 7 H ARG 7 0.411 -5.817 0.206 32 HA ARG 7 HA ARG 7 2.769 -6.287 1.844 33 HB2 ARG 7 HB2 ARG 7 2.164 -7.084 -1.019 34 HB3 ARG 7 HB1 ARG 7 3.512 -7.667 -0.048 35 HG2 ARG 7 HG2 ARG 7 0.636 -8.016 0.817 36 HG3 ARG 7 HG1 ARG 7 1.464 -9.205 -0.184 37 HD2 ARG 7 HD2 ARG 7 3.231 -9.378 1.593 38 HD3 ARG 7 HD1 ARG 7 2.266 -8.312 2.605 39 HE ARG 7 HE ARG 7 1.689 -11.089 1.984 40 HH11 ARG 7 1HH2 ARG 7 0.566 -8.029 3.146 41 HH12 ARG 7 2HH2 ARG 7 -0.742 -8.702 4.063 42 HH21 ARG 7 1HH1 ARG 7 -0.021 -11.978 3.185 43 HH22 ARG 7 2HH1 ARG 7 -1.075 -10.937 4.084 44 H CYS 8 H CYS 8 1.695 -3.840 -0.185 45 HA CYS 8 HA CYS 8 4.347 -3.172 -1.221 46 HB2 CYS 8 HB2 CYS 8 2.335 -2.882 -2.639 47 HB3 CYS 8 HB1 CYS 8 1.732 -1.676 -1.502 48 H ARG 9 H ARG 9 5.520 -1.350 -0.619 49 HA ARG 9 HA ARG 9 5.449 -0.593 2.075 50 HB2 ARG 9 HB2 ARG 9 7.456 -0.406 0.665 51 HB3 ARG 9 HB1 ARG 9 6.678 0.870 -0.273 52 HG2 ARG 9 HG2 ARG 9 6.568 2.314 1.657 53 HG3 ARG 9 HG1 ARG 9 7.134 1.021 2.714 54 HD2 ARG 9 HD2 ARG 9 8.987 2.534 2.197 55 HD3 ARG 9 HD1 ARG 9 9.275 0.961 1.459 56 HE ARG 9 HE ARG 9 7.934 2.715 -0.355 57 HH11 ARG 9 1HH2 ARG 9 10.980 1.999 1.122 58 HH12 ARG 9 2HH2 ARG 9 11.921 2.638 -0.185 59 HH21 ARG 9 1HH1 ARG 9 9.160 3.556 -2.072 60 HH22 ARG 9 2HH1 ARG 9 10.890 3.520 -1.993 61 H TYR 10 H TYR 10 4.234 1.082 -0.824 62 HA TYR 10 HA TYR 10 3.144 3.246 0.797 63 HB2 TYR 10 HB2 TYR 10 4.150 3.544 -1.530 64 HB3 TYR 10 HB1 TYR 10 2.695 2.762 -2.150 65 HD1 TYR 10 HD1 TYR 10 3.964 5.672 -0.233 66 HD2 TYR 10 HD2 TYR 10 0.590 3.924 -2.235 67 HE1 TYR 10 HE1 TYR 10 2.750 7.828 -0.070 68 HE2 TYR 10 HE2 TYR 10 -0.623 6.081 -2.074 69 HH TYR 10 HH TYR 10 0.760 8.839 -0.322 70 H ARG 11 H ARG 11 1.289 2.939 1.849 71 HA ARG 11 HA ARG 11 -0.871 1.433 0.504 72 HB2 ARG 11 HB2 ARG 11 0.138 0.046 2.283 73 HB3 ARG 11 HB1 ARG 11 -0.178 1.326 3.452 74 HG2 ARG 11 HG2 ARG 11 -2.599 1.142 3.014 75 HG3 ARG 11 HG1 ARG 11 -2.290 -0.117 1.818 76 HD2 ARG 11 HD2 ARG 11 -1.275 -1.527 3.578 77 HD3 ARG 11 HD1 ARG 11 -1.605 -0.269 4.766 78 HE ARG 11 HE ARG 11 -3.543 -2.087 3.584 79 HH11 ARG 11 1HH2 ARG 11 -2.929 0.862 5.285 80 HH12 ARG 11 2HH2 ARG 11 -4.514 0.956 5.974 81 HH21 ARG 11 1HH1 ARG 11 -5.624 -1.971 4.483 82 HH22 ARG 11 2HH1 ARG 11 -6.041 -0.648 5.520 83 H ABA 12 H ABA 12 -2.824 2.383 0.517 84 HA ABA 12 HA ABA 12 -3.231 4.725 2.270 85 HB3 ABA 12 HB1 ABA 12 -3.183 6.015 0.439 86 HB2 ABA 12 HB2 ABA 12 -4.728 5.280 0.019 87 HG1 ABA 12 HG ABA 12 -2.062 4.717 -1.225 88 H ARG 13 H ARG 13 -5.731 5.385 1.895 89 HA ARG 13 HA ARG 13 -7.281 3.572 3.262 90 HB2 ARG 13 HB2 ARG 13 -8.108 5.669 1.248 91 HB3 ARG 13 HB1 ARG 13 -9.256 4.783 2.252 92 HG2 ARG 13 HG2 ARG 13 -8.124 5.593 4.283 93 HG3 ARG 13 HG1 ARG 13 -6.956 6.466 3.289 94 HD2 ARG 13 HD2 ARG 13 -8.780 7.812 2.320 95 HD3 ARG 13 HD1 ARG 13 -9.949 6.941 3.307 96 HE ARG 13 HE ARG 13 -7.990 8.022 5.014 97 HH11 ARG 13 1HH2 ARG 13 -10.510 9.003 2.855 98 HH12 ARG 13 2HH2 ARG 13 -10.861 10.467 3.710 99 HH21 ARG 13 1HH1 ARG 13 -8.446 9.940 6.142 100 HH22 ARG 13 2HH1 ARG 13 -9.693 10.998 5.571 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 1.533 5.183 -3.748 2 H2 GLY 1 HT2 GLY 1 0.041 4.427 -4.040 3 H3 GLY 1 HT3 GLY 1 0.763 5.382 -5.246 4 HA2 GLY 1 HA2 GLY 1 2.172 3.776 -5.904 5 HA3 GLY 1 HA1 GLY 1 2.368 3.172 -4.259 6 H CYS 2 H CYS 2 1.563 1.203 -3.964 7 HA CYS 2 HA CYS 2 -0.734 0.342 -5.608 8 HB2 CYS 2 HB2 CYS 2 0.287 -1.972 -4.604 9 HB3 CYS 2 HB1 CYS 2 0.715 -1.286 -6.163 10 H ABA 3 H ABA 3 -2.002 1.537 -3.950 11 HA ABA 3 HA ABA 3 -2.188 0.640 -1.265 12 HB3 ABA 3 HB1 ABA 3 -4.605 1.654 -1.569 13 HB2 ABA 3 HB2 ABA 3 -3.934 2.251 -3.087 14 HG1 ABA 3 HG ABA 3 -1.973 3.193 -1.563 15 H SER 4 H SER 4 -3.154 -0.765 -4.204 16 HA SER 4 HA SER 4 -5.459 -2.190 -3.366 17 HB2 SER 4 HB2 SER 4 -5.070 -3.576 -5.342 18 HB3 SER 4 HB1 SER 4 -4.834 -1.876 -5.738 19 HG SER 4 HG SER 4 -3.030 -2.741 -6.507 20 H ASP 5 H ASP 5 -2.004 -2.825 -3.089 21 HA ASP 5 HA ASP 5 -2.605 -5.430 -1.862 22 HB2 ASP 5 HB2 ASP 5 0.020 -4.408 -2.913 23 HB3 ASP 5 HB1 ASP 5 -0.299 -6.013 -2.241 24 HA PRO 6 HA PRO 6 -1.763 -3.342 2.114 25 HB2 PRO 6 HB2 PRO 6 -1.339 -6.156 3.004 26 HB3 PRO 6 HB1 PRO 6 -2.378 -4.895 3.693 27 HG2 PRO 6 HG2 PRO 6 -3.370 -6.941 2.299 28 HG3 PRO 6 HG1 PRO 6 -4.093 -5.326 2.254 29 HD2 PRO 6 HD2 PRO 6 -2.475 -6.714 0.163 30 HD3 PRO 6 HD1 PRO 6 -3.757 -5.487 0.011 31 H ARG 7 H ARG 7 0.225 -5.838 0.630 32 HA ARG 7 HA ARG 7 2.511 -5.418 2.332 33 HB2 ARG 7 HB2 ARG 7 2.174 -6.873 -0.300 34 HB3 ARG 7 HB1 ARG 7 3.671 -6.852 0.632 35 HG2 ARG 7 HG2 ARG 7 2.503 -7.843 2.560 36 HG3 ARG 7 HG1 ARG 7 0.994 -7.850 1.646 37 HD2 ARG 7 HD2 ARG 7 2.012 -9.341 -0.032 38 HD3 ARG 7 HD1 ARG 7 3.521 -9.335 0.875 39 HE ARG 7 HE ARG 7 1.456 -10.158 2.602 40 HH11 ARG 7 1HH2 ARG 7 3.153 -11.175 -0.237 41 HH12 ARG 7 2HH2 ARG 7 2.959 -12.865 0.085 42 HH21 ARG 7 1HH1 ARG 7 1.198 -12.373 3.032 43 HH22 ARG 7 2HH1 ARG 7 1.852 -13.544 1.936 44 H CYS 8 H CYS 8 1.174 -3.703 -0.247 45 HA CYS 8 HA CYS 8 3.423 -2.822 -1.671 46 HB2 CYS 8 HB2 CYS 8 1.154 -2.397 -2.444 47 HB3 CYS 8 HB1 CYS 8 0.842 -1.369 -1.046 48 H ARG 9 H ARG 9 5.010 -1.400 -1.239 49 HA ARG 9 HA ARG 9 5.604 -0.592 1.369 50 HB2 ARG 9 HB2 ARG 9 7.377 0.730 0.400 51 HB3 ARG 9 HB1 ARG 9 7.234 -0.764 -0.526 52 HG2 ARG 9 HG2 ARG 9 5.749 0.491 -2.147 53 HG3 ARG 9 HG1 ARG 9 6.179 1.972 -1.290 54 HD2 ARG 9 HD2 ARG 9 8.156 0.074 -2.582 55 HD3 ARG 9 HD1 ARG 9 7.622 1.605 -3.269 56 HE ARG 9 HE ARG 9 9.454 1.250 -1.029 57 HH11 ARG 9 1HH2 ARG 9 7.383 3.337 -2.856 58 HH12 ARG 9 2HH2 ARG 9 8.160 4.792 -2.333 59 HH21 ARG 9 1HH1 ARG 9 10.478 3.156 -0.341 60 HH22 ARG 9 2HH1 ARG 9 9.912 4.691 -0.909 61 H TYR 10 H TYR 10 3.580 0.892 -1.029 62 HA TYR 10 HA TYR 10 3.549 3.461 0.364 63 HB2 TYR 10 HB2 TYR 10 3.505 3.398 -2.110 64 HB3 TYR 10 HB1 TYR 10 1.976 2.520 -2.040 65 HD1 TYR 10 HD1 TYR 10 3.541 5.608 -0.588 66 HD2 TYR 10 HD2 TYR 10 0.011 3.771 -2.205 67 HE1 TYR 10 HE1 TYR 10 2.324 7.759 -0.377 68 HE2 TYR 10 HE2 TYR 10 -1.204 5.922 -1.995 69 HH TYR 10 HH TYR 10 0.449 8.886 -1.085 70 H ARG 11 H ARG 11 2.257 3.773 2.048 71 HA ARG 11 HA ARG 11 -0.036 2.003 2.473 72 HB2 ARG 11 HB2 ARG 11 1.532 2.384 4.339 73 HB3 ARG 11 HB1 ARG 11 1.170 4.110 4.281 74 HG2 ARG 11 HG2 ARG 11 -1.150 3.707 4.843 75 HG3 ARG 11 HG1 ARG 11 -0.923 1.962 4.717 76 HD2 ARG 11 HD2 ARG 11 0.542 3.730 6.695 77 HD3 ARG 11 HD1 ARG 11 -0.905 2.802 7.081 78 HE ARG 11 HE ARG 11 0.982 1.044 5.960 79 HH11 ARG 11 1HH2 ARG 11 0.510 3.048 8.742 80 HH12 ARG 11 2HH2 ARG 11 1.459 2.050 9.792 81 HH21 ARG 11 1HH1 ARG 11 2.229 -0.268 7.331 82 HH22 ARG 11 2HH1 ARG 11 2.433 0.173 8.994 83 H ABA 12 H ABA 12 -2.089 2.611 2.177 84 HA ABA 12 HA ABA 12 -2.878 5.399 2.310 85 HB3 ABA 12 HB1 ABA 12 -1.973 4.850 -0.074 86 HB2 ABA 12 HB2 ABA 12 -3.501 5.716 0.085 87 HG1 ABA 12 HG ABA 12 -4.713 3.489 -0.237 88 H ARG 13 H ARG 13 -5.330 5.359 1.257 89 HA ARG 13 HA ARG 13 -6.824 2.985 1.829 90 HB2 ARG 13 HB2 ARG 13 -8.016 3.773 3.801 91 HB3 ARG 13 HB1 ARG 13 -6.287 3.722 4.139 92 HG2 ARG 13 HG2 ARG 13 -6.174 6.170 3.553 93 HG3 ARG 13 HG1 ARG 13 -7.935 6.170 3.449 94 HD2 ARG 13 HD2 ARG 13 -8.087 5.419 5.786 95 HD3 ARG 13 HD1 ARG 13 -6.329 5.388 5.896 96 HE ARG 13 HE ARG 13 -6.336 7.721 6.044 97 HH11 ARG 13 1HH2 ARG 13 -9.436 6.474 5.145 98 HH12 ARG 13 2HH2 ARG 13 -10.259 7.983 5.358 99 HH21 ARG 13 1HH1 ARG 13 -7.408 9.703 6.326 100 HH22 ARG 13 2HH1 ARG 13 -9.111 9.811 6.027 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 -3.074 4.399 -5.708 2 H2 GLY 1 HT2 GLY 1 -2.098 5.558 -6.477 3 H3 GLY 1 HT3 GLY 1 -2.643 5.822 -4.891 4 HA2 GLY 1 HA2 GLY 1 -0.241 4.744 -5.610 5 HA3 GLY 1 HA1 GLY 1 -0.965 4.697 -4.002 6 H CYS 2 H CYS 2 -0.041 2.635 -3.593 7 HA CYS 2 HA CYS 2 -1.125 0.406 -5.196 8 HB2 CYS 2 HB2 CYS 2 0.632 -0.902 -3.900 9 HB3 CYS 2 HB1 CYS 2 1.211 0.225 -5.122 10 H ABA 3 H ABA 3 -2.918 1.522 -3.601 11 HA ABA 3 HA ABA 3 -3.061 0.435 -0.967 12 HB3 ABA 3 HB1 ABA 3 -5.318 1.269 -0.920 13 HB2 ABA 3 HB2 ABA 3 -5.367 1.385 -2.679 14 HG1 ABA 3 HG ABA 3 -3.801 3.289 -2.631 15 H SER 4 H SER 4 -3.776 -0.772 -4.112 16 HA SER 4 HA SER 4 -5.690 -2.742 -3.442 17 HB2 SER 4 HB2 SER 4 -5.077 -3.777 -5.571 18 HB3 SER 4 HB1 SER 4 -5.221 -2.031 -5.760 19 HG SER 4 HG SER 4 -3.133 -1.898 -6.099 20 H ASP 5 H ASP 5 -2.232 -2.579 -3.015 21 HA ASP 5 HA ASP 5 -2.256 -5.396 -2.142 22 HB2 ASP 5 HB2 ASP 5 0.066 -3.796 -3.198 23 HB3 ASP 5 HB1 ASP 5 0.138 -5.464 -2.615 24 HA PRO 6 HA PRO 6 -1.446 -3.362 1.827 25 HB2 PRO 6 HB2 PRO 6 -1.467 -5.591 3.394 26 HB3 PRO 6 HB1 PRO 6 -2.945 -4.824 2.782 27 HG2 PRO 6 HG2 PRO 6 -1.529 -7.249 1.810 28 HG3 PRO 6 HG1 PRO 6 -3.266 -6.921 1.928 29 HD2 PRO 6 HD2 PRO 6 -1.829 -6.758 -0.415 30 HD3 PRO 6 HD1 PRO 6 -3.338 -5.863 -0.114 31 H ARG 7 H ARG 7 0.442 -5.785 0.280 32 HA ARG 7 HA ARG 7 2.610 -5.756 2.195 33 HB2 ARG 7 HB2 ARG 7 2.376 -6.904 -0.594 34 HB3 ARG 7 HB1 ARG 7 3.790 -7.096 0.443 35 HG2 ARG 7 HG2 ARG 7 2.471 -8.243 2.127 36 HG3 ARG 7 HG1 ARG 7 0.986 -7.934 1.228 37 HD2 ARG 7 HD2 ARG 7 1.717 -10.218 0.798 38 HD3 ARG 7 HD1 ARG 7 1.900 -9.264 -0.670 39 HE ARG 7 HE ARG 7 4.318 -9.207 0.811 40 HH11 ARG 7 1HH2 ARG 7 2.307 -11.283 -1.092 41 HH12 ARG 7 2HH2 ARG 7 3.617 -12.270 -1.649 42 HH21 ARG 7 1HH1 ARG 7 6.041 -10.497 0.085 43 HH22 ARG 7 2HH1 ARG 7 5.731 -11.825 -0.982 44 H CYS 8 H CYS 8 1.565 -3.709 -0.294 45 HA CYS 8 HA CYS 8 4.007 -2.845 -1.402 46 HB2 CYS 8 HB2 CYS 8 1.815 -2.279 -2.368 47 HB3 CYS 8 HB1 CYS 8 1.459 -1.267 -0.969 48 H ARG 9 H ARG 9 5.561 -1.497 -0.702 49 HA ARG 9 HA ARG 9 5.853 -0.885 2.017 50 HB2 ARG 9 HB2 ARG 9 7.766 0.453 1.340 51 HB3 ARG 9 HB1 ARG 9 7.722 -1.026 0.382 52 HG2 ARG 9 HG2 ARG 9 6.519 0.264 -1.418 53 HG3 ARG 9 HG1 ARG 9 6.801 1.730 -0.480 54 HD2 ARG 9 HD2 ARG 9 9.234 1.321 -0.575 55 HD3 ARG 9 HD1 ARG 9 8.950 -0.133 -1.530 56 HE ARG 9 HE ARG 9 8.804 2.609 -2.466 57 HH11 ARG 9 1HH2 ARG 9 7.855 -0.688 -2.918 58 HH12 ARG 9 2HH2 ARG 9 7.564 -0.518 -4.617 59 HH21 ARG 9 1HH1 ARG 9 8.425 2.840 -4.695 60 HH22 ARG 9 2HH1 ARG 9 7.887 1.481 -5.623 61 H TYR 10 H TYR 10 4.128 0.753 -0.474 62 HA TYR 10 HA TYR 10 3.815 3.137 1.250 63 HB2 TYR 10 HB2 TYR 10 4.714 3.708 -0.926 64 HB3 TYR 10 HB1 TYR 10 3.431 2.806 -1.733 65 HD1 TYR 10 HD1 TYR 10 4.029 5.668 0.597 66 HD2 TYR 10 HD2 TYR 10 1.366 3.829 -2.229 67 HE1 TYR 10 HE1 TYR 10 2.569 7.671 0.670 68 HE2 TYR 10 HE2 TYR 10 -0.094 5.833 -2.155 69 HH TYR 10 HH TYR 10 0.790 8.680 -0.206 70 H ARG 11 H ARG 11 1.912 3.433 2.204 71 HA ARG 11 HA ARG 11 -0.414 1.890 1.222 72 HB2 ARG 11 HB2 ARG 11 0.196 2.907 4.008 73 HB3 ARG 11 HB1 ARG 11 -1.272 2.050 3.535 74 HG2 ARG 11 HG2 ARG 11 0.043 0.088 2.889 75 HG3 ARG 11 HG1 ARG 11 1.539 0.943 3.268 76 HD2 ARG 11 HD2 ARG 11 0.987 -0.477 5.150 77 HD3 ARG 11 HD1 ARG 11 0.724 1.197 5.627 78 HE ARG 11 HE ARG 11 -1.688 0.117 4.602 79 HH11 ARG 11 1HH2 ARG 11 0.479 -0.079 7.293 80 HH12 ARG 11 2HH2 ARG 11 -0.750 -0.538 8.426 81 HH21 ARG 11 1HH1 ARG 11 -3.303 -0.485 6.081 82 HH22 ARG 11 2HH1 ARG 11 -2.890 -0.767 7.739 83 H ABA 12 H ABA 12 -2.323 2.922 0.847 84 HA ABA 12 HA ABA 12 -2.214 5.851 0.782 85 HB3 ABA 12 HB1 ABA 12 -2.869 4.949 -1.306 86 HB2 ABA 12 HB2 ABA 12 -4.364 5.528 -0.569 87 HG1 ABA 12 HG ABA 12 -4.476 2.974 0.335 88 H ARG 13 H ARG 13 -4.749 6.643 0.939 89 HA ARG 13 HA ARG 13 -5.817 5.588 3.480 90 HB2 ARG 13 HB2 ARG 13 -4.511 7.604 3.991 91 HB3 ARG 13 HB1 ARG 13 -5.431 8.513 2.793 92 HG2 ARG 13 HG2 ARG 13 -7.484 8.202 4.050 93 HG3 ARG 13 HG1 ARG 13 -6.671 7.124 5.185 94 HD2 ARG 13 HD2 ARG 13 -6.883 9.367 6.152 95 HD3 ARG 13 HD1 ARG 13 -5.188 8.981 5.873 96 HE ARG 13 HE ARG 13 -6.301 10.341 3.624 97 HH11 ARG 13 1HH2 ARG 13 -5.186 10.761 6.873 98 HH12 ARG 13 2HH2 ARG 13 -4.721 12.413 6.647 99 HH21 ARG 13 1HH1 ARG 13 -5.692 12.508 3.320 100 HH22 ARG 13 2HH1 ARG 13 -5.006 13.403 4.635 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 -2.705 2.432 -8.467 2 H2 GLY 1 HT2 GLY 1 -1.349 3.456 -8.501 3 H3 GLY 1 HT3 GLY 1 -1.836 2.733 -7.042 4 HA2 GLY 1 HA2 GLY 1 -1.136 1.021 -9.325 5 HA3 GLY 1 HA1 GLY 1 0.150 1.746 -8.361 6 H CYS 2 H CYS 2 0.640 0.885 -6.402 7 HA CYS 2 HA CYS 2 -0.979 -1.423 -5.517 8 HB2 CYS 2 HB2 CYS 2 0.984 -2.229 -4.440 9 HB3 CYS 2 HB1 CYS 2 1.389 -1.823 -6.102 10 H ABA 3 H ABA 3 -2.043 0.896 -4.860 11 HA ABA 3 HA ABA 3 -1.182 1.738 -2.215 12 HB3 ABA 3 HB1 ABA 3 -3.754 2.595 -3.507 13 HB2 ABA 3 HB2 ABA 3 -2.212 3.242 -4.073 14 HG1 ABA 3 HG ABA 3 -2.007 4.554 -2.111 15 H SER 4 H SER 4 -3.795 -0.103 -3.691 16 HA SER 4 HA SER 4 -5.213 -0.467 -1.200 17 HB2 SER 4 HB2 SER 4 -6.704 -1.878 -2.484 18 HB3 SER 4 HB1 SER 4 -6.355 -0.428 -3.421 19 HG SER 4 HG SER 4 -6.142 -2.319 -4.681 20 H ASP 5 H ASP 5 -2.482 -1.848 -2.628 21 HA ASP 5 HA ASP 5 -2.885 -4.462 -1.451 22 HB2 ASP 5 HB2 ASP 5 -0.549 -3.360 -2.994 23 HB3 ASP 5 HB1 ASP 5 -0.730 -5.035 -2.462 24 HA PRO 6 HA PRO 6 -0.801 -2.940 2.288 25 HB2 PRO 6 HB2 PRO 6 -0.985 -5.245 3.748 26 HB3 PRO 6 HB1 PRO 6 -2.341 -4.121 3.528 27 HG2 PRO 6 HG2 PRO 6 -1.787 -6.714 2.190 28 HG3 PRO 6 HG1 PRO 6 -3.328 -6.002 2.694 29 HD2 PRO 6 HD2 PRO 6 -2.407 -5.999 0.104 30 HD3 PRO 6 HD1 PRO 6 -3.569 -4.816 0.752 31 H ARG 7 H ARG 7 0.191 -5.456 0.209 32 HA ARG 7 HA ARG 7 2.599 -6.161 1.628 33 HB2 ARG 7 HB2 ARG 7 1.625 -6.737 -1.174 34 HB3 ARG 7 HB1 ARG 7 3.154 -7.338 -0.531 35 HG2 ARG 7 HG2 ARG 7 1.893 -8.402 1.347 36 HG3 ARG 7 HG1 ARG 7 0.387 -7.897 0.578 37 HD2 ARG 7 HD2 ARG 7 2.486 -9.643 -0.731 38 HD3 ARG 7 HD1 ARG 7 1.025 -10.248 0.022 39 HE ARG 7 HE ARG 7 -0.263 -9.230 -1.727 40 HH11 ARG 7 1HH2 ARG 7 3.168 -8.897 -2.081 41 HH12 ARG 7 2HH2 ARG 7 3.089 -8.499 -3.759 42 HH21 ARG 7 1HH1 ARG 7 -0.365 -8.705 -3.931 43 HH22 ARG 7 2HH1 ARG 7 1.094 -8.388 -4.809 44 H CYS 8 H CYS 8 1.628 -3.557 -0.327 45 HA CYS 8 HA CYS 8 4.254 -3.028 -1.459 46 HB2 CYS 8 HB2 CYS 8 1.708 -2.337 -2.208 47 HB3 CYS 8 HB1 CYS 8 2.283 -0.844 -1.468 48 H ARG 9 H ARG 9 5.469 -1.063 -1.012 49 HA ARG 9 HA ARG 9 5.916 -0.665 1.739 50 HB2 ARG 9 HB2 ARG 9 6.726 0.974 -0.671 51 HB3 ARG 9 HB1 ARG 9 7.298 1.297 0.966 52 HG2 ARG 9 HG2 ARG 9 8.227 -0.983 1.101 53 HG3 ARG 9 HG1 ARG 9 7.649 -1.316 -0.532 54 HD2 ARG 9 HD2 ARG 9 10.011 -0.705 -0.618 55 HD3 ARG 9 HD1 ARG 9 9.047 0.556 -1.381 56 HE ARG 9 HE ARG 9 9.663 2.004 0.337 57 HH11 ARG 9 1HH2 ARG 9 10.425 -1.281 1.109 58 HH12 ARG 9 2HH2 ARG 9 11.346 -0.882 2.521 59 HH21 ARG 9 1HH1 ARG 9 10.869 2.537 2.188 60 HH22 ARG 9 2HH1 ARG 9 11.596 1.280 3.132 61 H TYR 10 H TYR 10 4.088 1.217 -0.641 62 HA TYR 10 HA TYR 10 3.287 3.115 1.451 63 HB2 TYR 10 HB2 TYR 10 4.040 3.993 -0.753 64 HB3 TYR 10 HB1 TYR 10 2.690 3.152 -1.516 65 HD1 TYR 10 HD1 TYR 10 3.438 5.597 1.219 66 HD2 TYR 10 HD2 TYR 10 0.604 4.214 -1.698 67 HE1 TYR 10 HE1 TYR 10 1.942 7.496 1.772 68 HE2 TYR 10 HE2 TYR 10 -0.890 6.115 -1.144 69 HH TYR 10 HH TYR 10 -0.879 8.229 -0.140 70 H ARG 11 H ARG 11 1.388 2.931 2.461 71 HA ARG 11 HA ARG 11 -0.642 1.103 1.323 72 HB2 ARG 11 HB2 ARG 11 -0.173 1.948 4.191 73 HB3 ARG 11 HB1 ARG 11 -1.466 0.879 3.644 74 HG2 ARG 11 HG2 ARG 11 0.137 -0.760 2.860 75 HG3 ARG 11 HG1 ARG 11 1.480 0.334 3.188 76 HD2 ARG 11 HD2 ARG 11 -0.419 -0.733 5.294 77 HD3 ARG 11 HD1 ARG 11 1.185 -1.385 4.970 78 HE ARG 11 HE ARG 11 1.509 1.346 5.429 79 HH11 ARG 11 1HH2 ARG 11 0.356 -1.467 7.081 80 HH12 ARG 11 2HH2 ARG 11 0.807 -0.899 8.653 81 HH21 ARG 11 1HH1 ARG 11 2.103 2.099 7.488 82 HH22 ARG 11 2HH1 ARG 11 1.797 1.120 8.884 83 H ABA 12 H ABA 12 -2.779 1.739 1.196 84 HA ABA 12 HA ABA 12 -3.599 4.321 2.175 85 HB3 ABA 12 HB1 ABA 12 -2.515 4.963 0.083 86 HB2 ABA 12 HB2 ABA 12 -4.260 5.191 -0.034 87 HG1 ABA 12 HG ABA 12 -4.202 2.708 -1.066 88 H ARG 13 H ARG 13 -4.166 1.257 1.106 89 HA ARG 13 HA ARG 13 -6.059 -0.074 0.929 90 HB2 ARG 13 HB2 ARG 13 -7.450 1.924 2.698 91 HB3 ARG 13 HB1 ARG 13 -7.603 0.168 2.676 92 HG2 ARG 13 HG2 ARG 13 -5.197 1.752 3.626 93 HG3 ARG 13 HG1 ARG 13 -6.301 0.818 4.635 94 HD2 ARG 13 HD2 ARG 13 -4.389 -0.244 2.537 95 HD3 ARG 13 HD1 ARG 13 -4.337 -0.533 4.271 96 HE ARG 13 HE ARG 13 -6.807 -1.462 3.475 97 HH11 ARG 13 1HH2 ARG 13 -3.497 -2.021 2.634 98 HH12 ARG 13 2HH2 ARG 13 -3.745 -3.676 2.191 99 HH21 ARG 13 1HH1 ARG 13 -7.140 -3.633 2.896 100 HH22 ARG 13 2HH1 ARG 13 -5.808 -4.589 2.340 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 -0.431 5.742 -6.781 2 H2 GLY 1 HT2 GLY 1 -1.637 5.006 -5.837 3 H3 GLY 1 HT3 GLY 1 -1.249 4.376 -7.366 4 HA2 GLY 1 HA2 GLY 1 1.083 4.029 -6.444 5 HA3 GLY 1 HA1 GLY 1 0.323 4.261 -4.869 6 H CYS 2 H CYS 2 1.014 2.000 -4.517 7 HA CYS 2 HA CYS 2 -0.716 0.022 -5.863 8 HB2 CYS 2 HB2 CYS 2 0.882 -1.596 -4.705 9 HB3 CYS 2 HB1 CYS 2 1.507 -0.664 -6.059 10 H ABA 3 H ABA 3 -2.009 1.550 -4.121 11 HA ABA 3 HA ABA 3 -2.060 0.601 -1.438 12 HB3 ABA 3 HB1 ABA 3 -4.471 1.821 -2.738 13 HB2 ABA 3 HB2 ABA 3 -3.037 2.810 -2.466 14 HG1 ABA 3 HG ABA 3 -4.107 1.208 -0.123 15 H SER 4 H SER 4 -3.069 -0.770 -4.342 16 HA SER 4 HA SER 4 -5.429 -2.124 -3.575 17 HB2 SER 4 HB2 SER 4 -4.970 -3.597 -5.471 18 HB3 SER 4 HB1 SER 4 -4.666 -1.920 -5.919 19 HG SER 4 HG SER 4 -2.525 -3.272 -4.814 20 H ASP 5 H ASP 5 -2.039 -2.747 -2.989 21 HA ASP 5 HA ASP 5 -2.800 -5.209 -1.572 22 HB2 ASP 5 HB2 ASP 5 -0.187 -4.599 -2.946 23 HB3 ASP 5 HB1 ASP 5 -0.519 -6.047 -1.997 24 HA PRO 6 HA PRO 6 -1.299 -2.915 2.019 25 HB2 PRO 6 HB2 PRO 6 -1.426 -4.937 3.849 26 HB3 PRO 6 HB1 PRO 6 -2.859 -4.067 3.269 27 HG2 PRO 6 HG2 PRO 6 -1.817 -6.739 2.491 28 HG3 PRO 6 HG1 PRO 6 -3.490 -6.196 2.713 29 HD2 PRO 6 HD2 PRO 6 -2.314 -6.478 0.267 30 HD3 PRO 6 HD1 PRO 6 -3.643 -5.344 0.595 31 H ARG 7 H ARG 7 0.198 -5.684 0.642 32 HA ARG 7 HA ARG 7 2.486 -5.721 2.406 33 HB2 ARG 7 HB2 ARG 7 2.060 -7.054 -0.284 34 HB3 ARG 7 HB1 ARG 7 3.369 -7.401 0.842 35 HG2 ARG 7 HG2 ARG 7 0.499 -7.619 1.737 36 HG3 ARG 7 HG1 ARG 7 1.262 -8.951 0.872 37 HD2 ARG 7 HD2 ARG 7 3.101 -8.928 2.586 38 HD3 ARG 7 HD1 ARG 7 2.200 -7.714 3.482 39 HE ARG 7 HE ARG 7 0.488 -9.891 3.033 40 HH11 ARG 7 1HH2 ARG 7 3.411 -9.076 4.696 41 HH12 ARG 7 2HH2 ARG 7 3.172 -10.229 5.967 42 HH21 ARG 7 1HH1 ARG 7 0.169 -11.405 4.696 43 HH22 ARG 7 2HH1 ARG 7 1.337 -11.547 5.967 44 H CYS 8 H CYS 8 1.502 -3.780 -0.166 45 HA CYS 8 HA CYS 8 4.097 -3.271 -1.316 46 HB2 CYS 8 HB2 CYS 8 1.730 -2.946 -2.382 47 HB3 CYS 8 HB1 CYS 8 1.765 -1.390 -1.554 48 H ARG 9 H ARG 9 5.380 -1.419 -1.031 49 HA ARG 9 HA ARG 9 5.613 -0.450 1.596 50 HB2 ARG 9 HB2 ARG 9 7.268 1.089 0.705 51 HB3 ARG 9 HB1 ARG 9 7.456 -0.482 -0.077 52 HG2 ARG 9 HG2 ARG 9 5.981 0.392 -1.948 53 HG3 ARG 9 HG1 ARG 9 6.115 1.987 -1.207 54 HD2 ARG 9 HD2 ARG 9 8.475 0.297 -2.069 55 HD3 ARG 9 HD1 ARG 9 7.795 1.612 -3.020 56 HE ARG 9 HE ARG 9 9.400 1.864 -0.601 57 HH11 ARG 9 1HH2 ARG 9 7.220 3.314 -2.865 58 HH12 ARG 9 2HH2 ARG 9 7.688 4.937 -2.487 59 HH21 ARG 9 1HH1 ARG 9 10.019 3.992 -0.101 60 HH22 ARG 9 2HH1 ARG 9 9.273 5.321 -0.922 61 H TYR 10 H TYR 10 3.615 0.577 -1.023 62 HA TYR 10 HA TYR 10 3.193 3.268 -0.062 63 HB2 TYR 10 HB2 TYR 10 2.941 2.620 -2.458 64 HB3 TYR 10 HB1 TYR 10 1.530 1.662 -2.009 65 HD1 TYR 10 HD2 TYR 10 2.912 5.088 -2.205 66 HD2 TYR 10 HD1 TYR 10 -0.573 2.699 -1.440 67 HE1 TYR 10 HE2 TYR 10 1.497 7.121 -2.309 68 HE2 TYR 10 HE1 TYR 10 -1.990 4.732 -1.543 69 HH TYR 10 HH TYR 10 -0.829 7.720 -2.732 70 H ARG 11 H ARG 11 1.718 3.957 1.373 71 HA ARG 11 HA ARG 11 -0.247 1.993 2.388 72 HB2 ARG 11 HB2 ARG 11 1.035 4.324 3.842 73 HB3 ARG 11 HB1 ARG 11 -0.146 3.208 4.526 74 HG2 ARG 11 HG2 ARG 11 2.343 2.082 3.290 75 HG3 ARG 11 HG1 ARG 11 2.448 2.801 4.896 76 HD2 ARG 11 HD2 ARG 11 0.415 0.679 4.152 77 HD3 ARG 11 HD1 ARG 11 1.972 0.313 4.881 78 HE ARG 11 HE ARG 11 0.786 2.222 6.512 79 HH11 ARG 11 1HH2 ARG 11 0.108 -0.961 5.336 80 HH12 ARG 11 2HH2 ARG 11 -0.794 -1.436 6.737 81 HH21 ARG 11 1HH1 ARG 11 -0.397 1.606 8.352 82 HH22 ARG 11 2HH1 ARG 11 -1.080 0.017 8.444 83 H ABA 12 H ABA 12 -2.360 2.566 2.544 84 HA ABA 12 HA ABA 12 -3.101 5.107 1.259 85 HB3 ABA 12 HB1 ABA 12 -5.421 3.946 1.276 86 HB2 ABA 12 HB2 ABA 12 -4.515 2.483 1.663 87 HG1 ABA 12 HG ABA 12 -3.967 4.182 -0.826 88 H ARG 13 H ARG 13 -4.838 6.376 2.155 89 HA ARG 13 HA ARG 13 -4.728 6.443 5.076 90 HB2 ARG 13 HB2 ARG 13 -5.820 8.643 4.831 91 HB3 ARG 13 HB1 ARG 13 -4.354 8.538 3.856 92 HG2 ARG 13 HG2 ARG 13 -5.721 7.997 1.866 93 HG3 ARG 13 HG1 ARG 13 -7.186 8.126 2.838 94 HD2 ARG 13 HD2 ARG 13 -6.658 10.478 3.336 95 HD3 ARG 13 HD1 ARG 13 -5.183 10.357 2.380 96 HE ARG 13 HE ARG 13 -7.368 9.585 0.770 97 HH11 ARG 13 1HH2 ARG 13 -6.029 12.344 2.373 98 HH12 ARG 13 2HH2 ARG 13 -6.661 13.485 1.233 99 HH21 ARG 13 1HH1 ARG 13 -8.198 11.076 -0.729 100 HH22 ARG 13 2HH1 ARG 13 -7.888 12.767 -0.523 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 0.771 3.860 -7.838 2 H2 GLY 1 HT2 GLY 1 0.955 2.768 -6.549 3 H3 GLY 1 HT3 GLY 1 -0.385 3.812 -6.597 4 HA2 GLY 1 HA2 GLY 1 -1.457 2.629 -8.226 5 HA3 GLY 1 HA1 GLY 1 0.052 1.921 -8.805 6 H CYS 2 H CYS 2 0.928 1.396 -6.001 7 HA CYS 2 HA CYS 2 -0.673 -1.048 -5.579 8 HB2 CYS 2 HB2 CYS 2 1.273 -2.002 -4.549 9 HB3 CYS 2 HB1 CYS 2 1.773 -1.286 -6.081 10 H ABA 3 H ABA 3 -1.820 1.159 -4.634 11 HA ABA 3 HA ABA 3 -1.069 1.563 -1.850 12 HB3 ABA 3 HB1 ABA 3 -3.101 2.756 -3.704 13 HB2 ABA 3 HB2 ABA 3 -1.829 3.555 -2.779 14 HG1 ABA 3 HG ABA 3 -4.345 2.352 -1.511 15 H SER 4 H SER 4 -3.619 -0.007 -3.715 16 HA SER 4 HA SER 4 -5.265 -0.679 -1.487 17 HB2 SER 4 HB2 SER 4 -6.436 -2.128 -3.032 18 HB3 SER 4 HB1 SER 4 -6.042 -0.625 -3.862 19 HG SER 4 HG SER 4 -5.300 -2.081 -5.250 20 H ASP 5 H ASP 5 -2.343 -1.971 -2.754 21 HA ASP 5 HA ASP 5 -2.706 -4.576 -1.508 22 HB2 ASP 5 HB2 ASP 5 -0.332 -3.400 -2.961 23 HB3 ASP 5 HB1 ASP 5 -0.479 -5.073 -2.422 24 HA PRO 6 HA PRO 6 -0.956 -2.928 2.278 25 HB2 PRO 6 HB2 PRO 6 -1.195 -5.229 3.744 26 HB3 PRO 6 HB1 PRO 6 -2.555 -4.141 3.407 27 HG2 PRO 6 HG2 PRO 6 -1.829 -6.720 2.121 28 HG3 PRO 6 HG1 PRO 6 -3.425 -6.062 2.514 29 HD2 PRO 6 HD2 PRO 6 -2.336 -6.017 -0.015 30 HD3 PRO 6 HD1 PRO 6 -3.555 -4.855 0.558 31 H ARG 7 H ARG 7 0.190 -5.579 0.390 32 HA ARG 7 HA ARG 7 2.550 -6.101 1.964 33 HB2 ARG 7 HB2 ARG 7 1.786 -6.918 -0.851 34 HB3 ARG 7 HB1 ARG 7 3.213 -7.496 0.011 35 HG2 ARG 7 HG2 ARG 7 0.553 -7.730 1.363 36 HG3 ARG 7 HG1 ARG 7 0.938 -8.870 0.073 37 HD2 ARG 7 HD2 ARG 7 2.712 -8.332 2.471 38 HD3 ARG 7 HD1 ARG 7 1.611 -9.698 2.333 39 HE ARG 7 HE ARG 7 3.214 -9.766 0.065 40 HH11 ARG 7 1HH2 ARG 7 3.586 -9.874 3.502 41 HH12 ARG 7 2HH2 ARG 7 5.006 -10.865 3.456 42 HH21 ARG 7 1HH1 ARG 7 5.076 -11.065 -0.005 43 HH22 ARG 7 2HH1 ARG 7 5.850 -11.539 1.471 44 H CYS 8 H CYS 8 1.613 -3.722 -0.269 45 HA CYS 8 HA CYS 8 4.273 -3.210 -1.316 46 HB2 CYS 8 HB2 CYS 8 1.963 -2.781 -2.466 47 HB3 CYS 8 HB1 CYS 8 1.986 -1.283 -1.536 48 H ARG 9 H ARG 9 5.406 -1.207 -1.033 49 HA ARG 9 HA ARG 9 5.777 -0.539 1.667 50 HB2 ARG 9 HB2 ARG 9 7.492 -0.192 -0.072 51 HB3 ARG 9 HB1 ARG 9 6.503 1.083 -0.785 52 HG2 ARG 9 HG2 ARG 9 6.663 2.411 1.243 53 HG3 ARG 9 HG1 ARG 9 7.515 1.109 2.071 54 HD2 ARG 9 HD2 ARG 9 8.535 2.507 -0.415 55 HD3 ARG 9 HD1 ARG 9 9.044 2.900 1.224 56 HE ARG 9 HE ARG 9 9.434 0.156 0.889 57 HH11 ARG 9 1HH2 ARG 9 10.527 3.149 -0.460 58 HH12 ARG 9 2HH2 ARG 9 12.095 2.546 -0.883 59 HH21 ARG 9 1HH1 ARG 9 11.488 -0.643 0.336 60 HH22 ARG 9 2HH1 ARG 9 12.638 0.398 -0.433 61 H TYR 10 H TYR 10 4.003 1.145 -0.915 62 HA TYR 10 HA TYR 10 3.022 3.122 1.017 63 HB2 TYR 10 HB2 TYR 10 3.860 3.692 -1.348 64 HB3 TYR 10 HB1 TYR 10 2.335 3.012 -1.915 65 HD1 TYR 10 HD1 TYR 10 3.907 5.738 -0.001 66 HD2 TYR 10 HD2 TYR 10 0.199 4.085 -1.406 67 HE1 TYR 10 HE1 TYR 10 2.749 7.857 0.561 68 HE2 TYR 10 HE2 TYR 10 -0.958 6.206 -0.844 69 HH TYR 10 HH TYR 10 -0.748 8.146 0.369 70 H ARG 11 H ARG 11 1.148 2.844 2.028 71 HA ARG 11 HA ARG 11 -0.946 1.220 0.717 72 HB2 ARG 11 HB2 ARG 11 0.200 -0.023 2.568 73 HB3 ARG 11 HB1 ARG 11 -0.347 1.229 3.681 74 HG2 ARG 11 HG2 ARG 11 -2.704 0.766 2.944 75 HG3 ARG 11 HG1 ARG 11 -2.092 -0.592 2.001 76 HD2 ARG 11 HD2 ARG 11 -2.832 -1.476 4.112 77 HD3 ARG 11 HD1 ARG 11 -1.071 -1.493 4.128 78 HE ARG 11 HE ARG 11 -1.113 0.127 5.804 79 HH11 ARG 11 1HH2 ARG 11 -4.216 -0.257 4.323 80 HH12 ARG 11 2HH2 ARG 11 -5.047 0.717 5.491 81 HH21 ARG 11 1HH1 ARG 11 -2.194 1.406 7.338 82 HH22 ARG 11 2HH1 ARG 11 -3.902 1.658 7.197 83 H ABA 12 H ABA 12 -2.881 2.180 0.590 84 HA ABA 12 HA ABA 12 -3.244 4.748 1.985 85 HB3 ABA 12 HB1 ABA 12 -4.531 5.424 0.227 86 HB2 ABA 12 HB2 ABA 12 -5.233 3.825 -0.011 87 HG1 ABA 12 HG ABA 12 -2.561 4.799 -1.085 88 H ARG 13 H ARG 13 -6.039 4.860 1.853 89 HA ARG 13 HA ARG 13 -6.715 3.116 4.103 90 HB2 ARG 13 HB2 ARG 13 -8.697 4.566 4.328 91 HB3 ARG 13 HB1 ARG 13 -7.208 5.512 4.301 92 HG2 ARG 13 HG2 ARG 13 -7.543 5.947 1.883 93 HG3 ARG 13 HG1 ARG 13 -9.056 5.043 1.941 94 HD2 ARG 13 HD2 ARG 13 -9.947 6.627 3.605 95 HD3 ARG 13 HD1 ARG 13 -8.435 7.529 3.561 96 HE ARG 13 HE ARG 13 -9.442 7.344 0.936 97 HH11 ARG 13 1HH2 ARG 13 -10.161 8.762 4.009 98 HH12 ARG 13 2HH2 ARG 13 -10.990 10.128 3.340 99 HH21 ARG 13 1HH1 ARG 13 -10.528 9.132 0.050 100 HH22 ARG 13 2HH1 ARG 13 -11.198 10.337 1.099 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 -1.067 3.020 -6.559 2 H2 GLY 1 HT2 GLY 1 -1.174 3.863 -8.030 3 H3 GLY 1 HT3 GLY 1 0.344 3.440 -7.400 4 HA2 GLY 1 HA2 GLY 1 -1.534 1.862 -8.929 5 HA3 GLY 1 HA1 GLY 1 0.218 1.706 -8.790 6 H CYS 2 H CYS 2 0.638 1.389 -6.138 7 HA CYS 2 HA CYS 2 -0.793 -1.127 -5.531 8 HB2 CYS 2 HB2 CYS 2 1.142 -1.896 -4.449 9 HB3 CYS 2 HB1 CYS 2 1.684 -1.204 -5.970 10 H ABA 3 H ABA 3 -2.102 1.026 -4.858 11 HA ABA 3 HA ABA 3 -1.531 1.896 -2.154 12 HB3 ABA 3 HB1 ABA 3 -4.170 2.407 -3.448 13 HB2 ABA 3 HB2 ABA 3 -2.740 3.170 -4.144 14 HG1 ABA 3 HG ABA 3 -2.747 4.712 -2.354 15 H SER 4 H SER 4 -3.974 -0.118 -3.766 16 HA SER 4 HA SER 4 -5.367 -0.754 -1.342 17 HB2 SER 4 HB2 SER 4 -6.621 -2.311 -2.700 18 HB3 SER 4 HB1 SER 4 -6.400 -0.824 -3.618 19 HG SER 4 HG SER 4 -5.819 -2.422 -4.990 20 H ASP 5 H ASP 5 -2.481 -1.895 -2.800 21 HA ASP 5 HA ASP 5 -2.614 -4.543 -1.697 22 HB2 ASP 5 HB2 ASP 5 -0.325 -3.024 -2.923 23 HB3 ASP 5 HB1 ASP 5 -0.275 -4.728 -2.464 24 HA PRO 6 HA PRO 6 -1.049 -3.025 2.283 25 HB2 PRO 6 HB2 PRO 6 -1.169 -5.346 3.675 26 HB3 PRO 6 HB1 PRO 6 -2.614 -4.399 3.271 27 HG2 PRO 6 HG2 PRO 6 -1.551 -6.866 1.992 28 HG3 PRO 6 HG1 PRO 6 -3.224 -6.390 2.322 29 HD2 PRO 6 HD2 PRO 6 -2.000 -6.156 -0.154 30 HD3 PRO 6 HD1 PRO 6 -3.408 -5.201 0.371 31 H ARG 7 H ARG 7 0.303 -5.636 0.420 32 HA ARG 7 HA ARG 7 2.662 -5.993 2.027 33 HB2 ARG 7 HB2 ARG 7 3.406 -7.464 0.258 34 HB3 ARG 7 HB1 ARG 7 1.695 -7.765 0.556 35 HG2 ARG 7 HG2 ARG 7 1.166 -6.190 -1.340 36 HG3 ARG 7 HG1 ARG 7 2.891 -6.129 -1.698 37 HD2 ARG 7 HD2 ARG 7 2.903 -8.596 -1.973 38 HD3 ARG 7 HD1 ARG 7 1.166 -8.618 -1.684 39 HE ARG 7 HE ARG 7 2.506 -7.757 -4.109 40 HH11 ARG 7 1HH2 ARG 7 -0.339 -7.644 -2.141 41 HH12 ARG 7 2HH2 ARG 7 -1.396 -7.234 -3.450 42 HH21 ARG 7 1HH1 ARG 7 1.126 -7.218 -5.831 43 HH22 ARG 7 2HH1 ARG 7 -0.566 -6.993 -5.540 44 H CYS 8 H CYS 8 1.687 -3.763 -0.391 45 HA CYS 8 HA CYS 8 4.265 -3.113 -1.432 46 HB2 CYS 8 HB2 CYS 8 1.911 -2.599 -2.393 47 HB3 CYS 8 HB1 CYS 8 1.962 -1.185 -1.342 48 H ARG 9 H ARG 9 5.502 -1.206 -1.010 49 HA ARG 9 HA ARG 9 5.966 -0.672 1.699 50 HB2 ARG 9 HB2 ARG 9 7.603 -0.312 -0.158 51 HB3 ARG 9 HB1 ARG 9 6.665 1.097 -0.656 52 HG2 ARG 9 HG2 ARG 9 6.996 2.086 1.597 53 HG3 ARG 9 HG1 ARG 9 7.994 0.701 2.035 54 HD2 ARG 9 HD2 ARG 9 8.561 2.603 -0.255 55 HD3 ARG 9 HD1 ARG 9 9.365 2.637 1.312 56 HE ARG 9 HE ARG 9 9.798 0.704 -0.821 57 HH11 ARG 9 1HH2 ARG 9 10.153 1.542 2.517 58 HH12 ARG 9 2HH2 ARG 9 11.476 0.458 2.791 59 HH21 ARG 9 1HH1 ARG 9 11.530 -0.722 -0.469 60 HH22 ARG 9 2HH1 ARG 9 12.255 -0.823 1.100 61 H TYR 10 H TYR 10 4.157 1.164 -0.752 62 HA TYR 10 HA TYR 10 3.279 3.060 1.313 63 HB2 TYR 10 HB2 TYR 10 4.066 3.990 -0.828 64 HB3 TYR 10 HB1 TYR 10 2.828 3.067 -1.682 65 HD1 TYR 10 HD1 TYR 10 3.337 5.688 0.919 66 HD2 TYR 10 HD2 TYR 10 0.598 3.870 -1.847 67 HE1 TYR 10 HE1 TYR 10 1.695 7.495 1.357 68 HE2 TYR 10 HE2 TYR 10 -1.043 5.676 -1.408 69 HH TYR 10 HH TYR 10 -1.046 7.999 -0.598 70 H ARG 11 H ARG 11 1.353 2.871 2.266 71 HA ARG 11 HA ARG 11 -0.686 1.136 0.998 72 HB2 ARG 11 HB2 ARG 11 -0.140 1.591 3.941 73 HB3 ARG 11 HB1 ARG 11 -1.456 0.615 3.286 74 HG2 ARG 11 HG2 ARG 11 0.099 -0.931 2.275 75 HG3 ARG 11 HG1 ARG 11 1.467 0.105 2.680 76 HD2 ARG 11 HD2 ARG 11 -0.367 -1.192 4.713 77 HD3 ARG 11 HD1 ARG 11 1.216 -1.811 4.256 78 HE ARG 11 HE ARG 11 1.572 0.851 5.026 79 HH11 ARG 11 1HH2 ARG 11 0.503 -2.156 6.363 80 HH12 ARG 11 2HH2 ARG 11 1.029 -1.788 7.971 81 HH21 ARG 11 1HH1 ARG 11 2.265 1.343 7.133 82 HH22 ARG 11 2HH1 ARG 11 2.026 0.194 8.407 83 H ABA 12 H ABA 12 -2.804 1.826 0.994 84 HA ABA 12 HA ABA 12 -3.404 4.449 2.185 85 HB3 ABA 12 HB1 ABA 12 -2.871 5.087 -0.036 86 HB2 ABA 12 HB2 ABA 12 -4.631 5.005 0.014 87 HG1 ABA 12 HG ABA 12 -4.110 2.447 -0.816 88 H ARG 13 H ARG 13 -5.865 4.911 1.757 89 HA ARG 13 HA ARG 13 -7.343 2.964 3.137 90 HB2 ARG 13 HB2 ARG 13 -8.324 5.205 1.352 91 HB3 ARG 13 HB1 ARG 13 -9.325 4.296 2.484 92 HG2 ARG 13 HG2 ARG 13 -8.038 5.088 4.368 93 HG3 ARG 13 HG1 ARG 13 -6.844 5.829 3.303 94 HD2 ARG 13 HD2 ARG 13 -9.766 6.620 3.406 95 HD3 ARG 13 HD1 ARG 13 -8.474 7.478 4.241 96 HE ARG 13 HE ARG 13 -7.728 7.302 1.556 97 HH11 ARG 13 1HH2 ARG 13 -10.254 8.652 3.497 98 HH12 ARG 13 2HH2 ARG 13 -10.550 9.985 2.431 99 HH21 ARG 13 1HH1 ARG 13 -8.109 9.047 0.153 100 HH22 ARG 13 2HH1 ARG 13 -9.336 10.209 0.537
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