NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
583756 | 2mtt | 25186 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 1.045 5.137 3.928 2 H2 GLY 1 HT2 GLY 1 1.613 6.177 5.145 3 H3 GLY 1 HT3 GLY 1 0.369 5.067 5.482 4 HA2 GLY 1 HA2 GLY 1 3.242 4.541 5.036 5 HA3 GLY 1 HA1 GLY 1 2.240 4.077 6.412 6 H CYS 2 H CYS 2 -0.011 3.101 5.069 7 HA CYS 2 HA CYS 2 0.789 0.449 4.488 8 HB2 CYS 2 HB2 CYS 2 -1.497 1.212 5.297 9 HB3 CYS 2 HB1 CYS 2 -1.804 1.760 3.649 10 H ABA 3 H ABA 3 -0.210 3.161 2.459 11 HA ABA 3 HA ABA 3 -0.251 2.049 -0.044 12 HB3 ABA 3 HB1 ABA 3 0.890 4.388 -0.652 13 HB2 ABA 3 HB2 ABA 3 0.488 4.726 1.028 14 HG1 ABA 3 HG ABA 3 -1.857 4.621 0.584 15 H SER 4 H SER 4 2.603 3.292 1.670 16 HA SER 4 HA SER 4 4.479 2.706 -0.348 17 HB2 SER 4 HB2 SER 4 4.815 2.906 2.652 18 HB3 SER 4 HB1 SER 4 6.152 2.805 1.508 19 HG SER 4 HG SER 4 4.093 4.761 1.428 20 H ASP 5 H ASP 5 3.276 0.791 2.388 21 HA ASP 5 HA ASP 5 5.073 -1.366 1.980 22 HB2 ASP 5 HB2 ASP 5 2.430 -1.270 3.437 23 HB3 ASP 5 HB1 ASP 5 3.573 -2.614 3.504 24 HA PRO 6 HA PRO 6 2.915 -3.204 -1.515 25 HB2 PRO 6 HB2 PRO 6 4.181 -5.623 -1.579 26 HB3 PRO 6 HB1 PRO 6 4.928 -4.118 -2.153 27 HG2 PRO 6 HG2 PRO 6 5.319 -5.569 0.416 28 HG3 PRO 6 HG1 PRO 6 6.498 -4.723 -0.602 29 HD2 PRO 6 HD2 PRO 6 5.429 -3.642 1.685 30 HD3 PRO 6 HD1 PRO 6 6.033 -2.671 0.323 31 H ARG 7 H ARG 7 2.930 -4.493 1.669 32 HA ARG 7 HA ARG 7 1.179 -6.717 1.197 33 HB2 ARG 7 HB2 ARG 7 1.854 -5.242 3.757 34 HB3 ARG 7 HB1 ARG 7 1.005 -6.784 3.659 35 HG2 ARG 7 HG2 ARG 7 3.688 -6.474 2.338 36 HG3 ARG 7 HG1 ARG 7 3.600 -6.771 4.073 37 HD2 ARG 7 HD2 ARG 7 2.193 -8.790 3.604 38 HD3 ARG 7 HD1 ARG 7 2.426 -8.515 1.882 39 HE ARG 7 HE ARG 7 4.961 -8.608 3.072 40 HH11 ARG 7 1HH2 ARG 7 2.194 -10.613 2.523 41 HH12 ARG 7 2HH2 ARG 7 3.101 -12.086 2.458 42 HH21 ARG 7 1HH1 ARG 7 6.158 -10.539 2.990 43 HH22 ARG 7 2HH1 ARG 7 5.346 -12.045 2.722 44 H CYS 8 H CYS 8 0.703 -3.367 1.297 45 HA CYS 8 HA CYS 8 -1.705 -3.002 2.600 46 HB2 CYS 8 HB2 CYS 8 -0.143 -1.401 1.118 47 HB3 CYS 8 HB1 CYS 8 -1.418 -1.703 -0.062 48 H ARG 9 H ARG 9 -3.854 -3.181 2.076 49 HA ARG 9 HA ARG 9 -4.644 -5.425 0.573 50 HB2 ARG 9 HB2 ARG 9 -6.203 -3.062 1.634 51 HB3 ARG 9 HB1 ARG 9 -6.961 -4.450 0.850 52 HG2 ARG 9 HG2 ARG 9 -6.053 -5.959 2.520 53 HG3 ARG 9 HG1 ARG 9 -5.130 -4.649 3.257 54 HD2 ARG 9 HD2 ARG 9 -7.211 -3.489 3.844 55 HD3 ARG 9 HD1 ARG 9 -8.154 -4.755 3.063 56 HE ARG 9 HE ARG 9 -7.765 -6.126 4.912 57 HH11 ARG 9 1HH2 ARG 9 -5.750 -3.314 4.952 58 HH12 ARG 9 2HH2 ARG 9 -5.185 -3.571 6.568 59 HH21 ARG 9 1HH1 ARG 9 -7.028 -6.471 7.033 60 HH22 ARG 9 2HH1 ARG 9 -5.909 -5.358 7.747 61 H TYR 10 H TYR 10 -4.515 -1.990 -0.224 62 HA TYR 10 HA TYR 10 -5.087 -2.697 -3.041 63 HB2 TYR 10 HB2 TYR 10 -6.279 -0.584 -3.283 64 HB3 TYR 10 HB1 TYR 10 -7.019 -1.545 -2.002 65 HD1 TYR 10 HD2 TYR 10 -6.578 -0.996 0.391 66 HD2 TYR 10 HD1 TYR 10 -5.165 1.494 -2.810 67 HE1 TYR 10 HE2 TYR 10 -6.192 0.852 2.000 68 HE2 TYR 10 HE1 TYR 10 -4.773 3.341 -1.202 69 HH TYR 10 HH TYR 10 -6.094 3.551 1.710 70 H ARG 11 H ARG 11 -4.027 -1.435 -4.616 71 HA ARG 11 HA ARG 11 -1.393 -0.591 -3.859 72 HB2 ARG 11 HB2 ARG 11 -2.865 -0.417 -6.498 73 HB3 ARG 11 HB1 ARG 11 -1.156 -0.038 -6.274 74 HG2 ARG 11 HG2 ARG 11 -0.678 -2.304 -5.573 75 HG3 ARG 11 HG1 ARG 11 -2.395 -2.709 -5.557 76 HD2 ARG 11 HD2 ARG 11 -0.872 -1.836 -8.026 77 HD3 ARG 11 HD1 ARG 11 -1.210 -3.514 -7.613 78 HE ARG 11 HE ARG 11 -3.654 -2.164 -7.581 79 HH11 ARG 11 1HH2 ARG 11 -1.105 -2.927 -9.793 80 HH12 ARG 11 2HH2 ARG 11 -2.138 -2.980 -11.182 81 HH21 ARG 11 1HH1 ARG 11 -5.016 -2.232 -9.398 82 HH22 ARG 11 2HH1 ARG 11 -4.353 -2.586 -10.958 83 H ABA 12 H ABA 12 -0.532 1.458 -3.794 84 HA ABA 12 HA ABA 12 -2.493 3.649 -3.666 85 HB3 ABA 12 HB1 ABA 12 -0.030 4.595 -2.775 86 HB2 ABA 12 HB2 ABA 12 -0.089 2.935 -2.192 87 HG1 ABA 12 HG ABA 12 -2.641 4.351 -1.677 88 H ARG 13 H ARG 13 -0.594 2.322 -5.921 89 HA ARG 13 HA ARG 13 -0.127 4.912 -7.245 90 HB2 ARG 13 HB2 ARG 13 1.914 3.160 -8.112 91 HB3 ARG 13 HB1 ARG 13 2.092 4.642 -7.172 92 HG2 ARG 13 HG2 ARG 13 3.128 2.799 -5.966 93 HG3 ARG 13 HG1 ARG 13 1.695 3.330 -5.092 94 HD2 ARG 13 HD2 ARG 13 0.892 1.228 -5.206 95 HD3 ARG 13 HD1 ARG 13 0.829 1.378 -6.960 96 HE ARG 13 HE ARG 13 2.816 0.164 -7.102 97 HH11 ARG 13 1HH2 ARG 13 2.075 1.062 -3.844 98 HH12 ARG 13 2HH2 ARG 13 3.272 0.027 -3.140 99 HH21 ARG 13 1HH1 ARG 13 4.388 -1.199 -6.186 100 HH22 ARG 13 2HH1 ARG 13 4.582 -1.253 -4.466 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 0.711 6.395 2.051 2 H2 GLY 1 HT2 GLY 1 -0.557 6.905 3.061 3 H3 GLY 1 HT3 GLY 1 -0.623 5.381 2.313 4 HA2 GLY 1 HA2 GLY 1 1.680 5.913 4.021 5 HA3 GLY 1 HA1 GLY 1 0.124 5.677 4.816 6 H CYS 2 H CYS 2 -1.146 3.744 4.014 7 HA CYS 2 HA CYS 2 0.361 1.387 4.367 8 HB2 CYS 2 HB2 CYS 2 -2.047 1.552 4.878 9 HB3 CYS 2 HB1 CYS 2 -2.397 1.705 3.156 10 H ABA 3 H ABA 3 -1.049 2.855 1.468 11 HA ABA 3 HA ABA 3 -0.553 0.974 -0.440 12 HB3 ABA 3 HB1 ABA 3 -0.060 2.937 -1.986 13 HB2 ABA 3 HB2 ABA 3 -0.228 3.966 -0.562 14 HG1 ABA 3 HG ABA 3 -2.554 2.312 -0.556 15 H SER 4 H SER 4 1.799 2.851 1.309 16 HA SER 4 HA SER 4 4.013 2.576 -0.415 17 HB2 SER 4 HB2 SER 4 3.922 2.775 2.601 18 HB3 SER 4 HB1 SER 4 5.374 2.958 1.627 19 HG SER 4 HG SER 4 3.897 4.580 0.467 20 H ASP 5 H ASP 5 2.764 0.509 2.184 21 HA ASP 5 HA ASP 5 4.886 -1.379 2.004 22 HB2 ASP 5 HB2 ASP 5 2.138 -1.585 3.233 23 HB3 ASP 5 HB1 ASP 5 3.399 -2.805 3.408 24 HA PRO 6 HA PRO 6 3.452 -3.735 -1.499 25 HB2 PRO 6 HB2 PRO 6 4.735 -6.101 -1.018 26 HB3 PRO 6 HB1 PRO 6 5.577 -4.647 -1.592 27 HG2 PRO 6 HG2 PRO 6 5.413 -5.786 1.152 28 HG3 PRO 6 HG1 PRO 6 6.780 -5.021 0.328 29 HD2 PRO 6 HD2 PRO 6 5.229 -3.733 2.183 30 HD3 PRO 6 HD1 PRO 6 6.102 -2.900 0.874 31 H ARG 7 H ARG 7 3.131 -5.074 1.745 32 HA ARG 7 HA ARG 7 1.240 -7.110 0.948 33 HB2 ARG 7 HB2 ARG 7 2.141 -6.112 3.660 34 HB3 ARG 7 HB1 ARG 7 1.027 -7.458 3.418 35 HG2 ARG 7 HG2 ARG 7 2.791 -8.546 1.974 36 HG3 ARG 7 HG1 ARG 7 3.901 -7.273 2.482 37 HD2 ARG 7 HD2 ARG 7 2.433 -9.134 4.366 38 HD3 ARG 7 HD1 ARG 7 4.109 -9.330 3.867 39 HE ARG 7 HE ARG 7 3.071 -7.330 5.719 40 HH11 ARG 7 1HH2 ARG 7 5.649 -8.442 3.695 41 HH12 ARG 7 2HH2 ARG 7 6.873 -7.541 4.525 42 HH21 ARG 7 1HH1 ARG 7 4.671 -6.146 6.812 43 HH22 ARG 7 2HH1 ARG 7 6.320 -6.241 6.289 44 H CYS 8 H CYS 8 1.006 -3.832 1.262 45 HA CYS 8 HA CYS 8 -1.290 -3.338 2.764 46 HB2 CYS 8 HB2 CYS 8 0.233 -1.627 1.702 47 HB3 CYS 8 HB1 CYS 8 -0.597 -1.944 0.178 48 H ARG 9 H ARG 9 -3.446 -3.441 2.375 49 HA ARG 9 HA ARG 9 -4.467 -5.388 0.633 50 HB2 ARG 9 HB2 ARG 9 -5.715 -3.157 2.212 51 HB3 ARG 9 HB1 ARG 9 -6.696 -4.129 1.115 52 HG2 ARG 9 HG2 ARG 9 -6.738 -5.076 3.392 53 HG3 ARG 9 HG1 ARG 9 -5.946 -6.183 2.270 54 HD2 ARG 9 HD2 ARG 9 -3.778 -5.589 3.059 55 HD3 ARG 9 HD1 ARG 9 -4.396 -4.181 3.918 56 HE ARG 9 HE ARG 9 -5.678 -6.389 5.018 57 HH11 ARG 9 1HH2 ARG 9 -2.453 -5.213 4.584 58 HH12 ARG 9 2HH2 ARG 9 -1.838 -5.962 6.020 59 HH21 ARG 9 1HH1 ARG 9 -4.880 -7.374 6.903 60 HH22 ARG 9 2HH1 ARG 9 -3.213 -7.185 7.333 61 H TYR 10 H TYR 10 -4.165 -1.877 0.276 62 HA TYR 10 HA TYR 10 -4.875 -2.179 -2.581 63 HB2 TYR 10 HB2 TYR 10 -5.914 0.054 -2.494 64 HB3 TYR 10 HB1 TYR 10 -6.729 -1.078 -1.415 65 HD1 TYR 10 HD2 TYR 10 -6.201 -1.040 1.050 66 HD2 TYR 10 HD1 TYR 10 -4.814 1.997 -1.652 67 HE1 TYR 10 HE2 TYR 10 -5.746 0.461 2.971 68 HE2 TYR 10 HE1 TYR 10 -4.358 3.498 0.268 69 HH TYR 10 HH TYR 10 -5.283 2.600 3.561 70 H ARG 11 H ARG 11 -3.811 -0.741 -4.027 71 HA ARG 11 HA ARG 11 -1.227 0.214 -2.987 72 HB2 ARG 11 HB2 ARG 11 -0.541 0.194 -5.387 73 HB3 ARG 11 HB1 ARG 11 -1.040 -1.391 -4.794 74 HG2 ARG 11 HG2 ARG 11 -3.264 -1.087 -5.778 75 HG3 ARG 11 HG1 ARG 11 -2.818 0.529 -6.327 76 HD2 ARG 11 HD2 ARG 11 -1.359 -1.992 -7.156 77 HD3 ARG 11 HD1 ARG 11 -2.638 -1.242 -8.107 78 HE ARG 11 HE ARG 11 -0.763 0.752 -7.577 79 HH11 ARG 11 1HH2 ARG 11 -0.934 -2.319 -9.163 80 HH12 ARG 11 2HH2 ARG 11 0.286 -1.938 -10.332 81 HH21 ARG 11 1HH1 ARG 11 0.838 1.258 -9.106 82 HH22 ARG 11 2HH1 ARG 11 1.289 0.087 -10.300 83 H ABA 12 H ABA 12 -0.386 2.258 -3.718 84 HA ABA 12 HA ABA 12 -2.247 4.140 -4.940 85 HB3 ABA 12 HB1 ABA 12 -2.434 5.597 -3.157 86 HB2 ABA 12 HB2 ABA 12 -0.958 5.050 -2.408 87 HG1 ABA 12 HG ABA 12 -3.686 3.777 -2.155 88 H ARG 13 H ARG 13 -1.238 5.909 -5.890 89 HA ARG 13 HA ARG 13 1.661 5.617 -6.220 90 HB2 ARG 13 HB2 ARG 13 -0.311 6.037 -8.058 91 HB3 ARG 13 HB1 ARG 13 0.250 7.687 -7.778 92 HG2 ARG 13 HG2 ARG 13 2.014 5.327 -8.501 93 HG3 ARG 13 HG1 ARG 13 1.534 6.622 -9.596 94 HD2 ARG 13 HD2 ARG 13 2.536 8.161 -7.682 95 HD3 ARG 13 HD1 ARG 13 3.439 6.701 -7.288 96 HE ARG 13 HE ARG 13 3.612 7.218 -10.075 97 HH11 ARG 13 1HH2 ARG 13 4.677 8.360 -6.986 98 HH12 ARG 13 2HH2 ARG 13 6.158 9.025 -7.588 99 HH21 ARG 13 1HH1 ARG 13 5.552 8.090 -10.872 100 HH22 ARG 13 2HH1 ARG 13 6.653 8.872 -9.788 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 2.217 4.445 7.190 2 H2 GLY 1 HT2 GLY 1 2.294 5.784 6.148 3 H3 GLY 1 HT3 GLY 1 3.021 4.314 5.702 4 HA2 GLY 1 HA2 GLY 1 0.176 4.207 6.300 5 HA3 GLY 1 HA1 GLY 1 0.639 5.056 4.824 6 H CYS 2 H CYS 2 -0.802 2.592 4.907 7 HA CYS 2 HA CYS 2 0.862 0.333 4.482 8 HB2 CYS 2 HB2 CYS 2 -1.093 -0.781 3.792 9 HB3 CYS 2 HB1 CYS 2 -1.692 0.439 4.910 10 H ABA 3 H ABA 3 -0.280 2.926 2.427 11 HA ABA 3 HA ABA 3 0.138 1.879 -0.099 12 HB3 ABA 3 HB1 ABA 3 0.811 4.346 -0.641 13 HB2 ABA 3 HB2 ABA 3 0.396 4.654 1.027 14 HG1 ABA 3 HG ABA 3 -1.944 4.170 0.601 15 H SER 4 H SER 4 2.459 3.005 2.258 16 HA SER 4 HA SER 4 4.708 3.265 0.586 17 HB2 SER 4 HB2 SER 4 4.515 2.490 3.505 18 HB3 SER 4 HB1 SER 4 6.018 2.894 2.680 19 HG SER 4 HG SER 4 3.979 4.698 2.295 20 H ASP 5 H ASP 5 3.322 0.468 2.256 21 HA ASP 5 HA ASP 5 5.331 -1.238 0.965 22 HB2 ASP 5 HB2 ASP 5 3.559 -1.732 3.357 23 HB3 ASP 5 HB1 ASP 5 4.597 -2.955 2.632 24 HA PRO 6 HA PRO 6 2.213 -2.885 -1.754 25 HB2 PRO 6 HB2 PRO 6 3.284 -5.366 -2.242 26 HB3 PRO 6 HB1 PRO 6 3.886 -3.869 -2.983 27 HG2 PRO 6 HG2 PRO 6 4.963 -5.417 -0.683 28 HG3 PRO 6 HG1 PRO 6 5.824 -4.562 -1.972 29 HD2 PRO 6 HD2 PRO 6 5.530 -3.549 0.542 30 HD3 PRO 6 HD1 PRO 6 5.689 -2.530 -0.908 31 H ARG 7 H ARG 7 2.914 -4.203 1.298 32 HA ARG 7 HA ARG 7 1.255 -6.489 1.315 33 HB2 ARG 7 HB2 ARG 7 2.171 -4.648 3.533 34 HB3 ARG 7 HB1 ARG 7 1.268 -6.138 3.811 35 HG2 ARG 7 HG2 ARG 7 3.011 -7.470 2.806 36 HG3 ARG 7 HG1 ARG 7 3.869 -6.027 2.262 37 HD2 ARG 7 HD2 ARG 7 4.927 -6.916 4.286 38 HD3 ARG 7 HD1 ARG 7 4.198 -5.349 4.622 39 HE ARG 7 HE ARG 7 2.393 -7.499 5.193 40 HH11 ARG 7 1HH2 ARG 7 5.151 -5.744 6.327 41 HH12 ARG 7 2HH2 ARG 7 4.840 -6.063 8.000 42 HH21 ARG 7 1HH1 ARG 7 1.978 -7.924 7.387 43 HH22 ARG 7 2HH1 ARG 7 3.044 -7.297 8.600 44 H CYS 8 H CYS 8 0.570 -3.103 1.387 45 HA CYS 8 HA CYS 8 -1.800 -2.902 2.784 46 HB2 CYS 8 HB2 CYS 8 -0.565 -1.049 1.581 47 HB3 CYS 8 HB1 CYS 8 -1.334 -1.604 0.100 48 H ARG 9 H ARG 9 -4.006 -3.020 2.184 49 HA ARG 9 HA ARG 9 -4.769 -5.354 0.805 50 HB2 ARG 9 HB2 ARG 9 -6.352 -2.908 1.618 51 HB3 ARG 9 HB1 ARG 9 -7.085 -4.359 0.932 52 HG2 ARG 9 HG2 ARG 9 -6.250 -5.716 2.763 53 HG3 ARG 9 HG1 ARG 9 -5.336 -4.352 3.408 54 HD2 ARG 9 HD2 ARG 9 -8.350 -4.392 3.104 55 HD3 ARG 9 HD1 ARG 9 -7.501 -4.748 4.606 56 HE ARG 9 HE ARG 9 -6.580 -2.266 3.706 57 HH11 ARG 9 1HH2 ARG 9 -9.515 -3.772 4.750 58 HH12 ARG 9 2HH2 ARG 9 -10.191 -2.317 5.404 59 HH21 ARG 9 1HH1 ARG 9 -7.460 -0.354 4.560 60 HH22 ARG 9 2HH1 ARG 9 -9.028 -0.382 5.295 61 H TYR 10 H TYR 10 -4.541 -1.985 -0.221 62 HA TYR 10 HA TYR 10 -5.019 -2.872 -3.004 63 HB2 TYR 10 HB2 TYR 10 -6.204 -0.813 -3.462 64 HB3 TYR 10 HB1 TYR 10 -6.971 -1.609 -2.087 65 HD1 TYR 10 HD2 TYR 10 -6.422 -0.834 0.253 66 HD2 TYR 10 HD1 TYR 10 -5.193 1.333 -3.244 67 HE1 TYR 10 HE2 TYR 10 -6.022 1.181 1.643 68 HE2 TYR 10 HE1 TYR 10 -4.791 3.349 -1.855 69 HH TYR 10 HH TYR 10 -4.731 3.235 1.569 70 H ARG 11 H ARG 11 -3.927 -1.641 -4.632 71 HA ARG 11 HA ARG 11 -1.292 -0.828 -3.828 72 HB2 ARG 11 HB2 ARG 11 -2.748 -1.084 -6.437 73 HB3 ARG 11 HB1 ARG 11 -1.233 -0.185 -6.374 74 HG2 ARG 11 HG2 ARG 11 -0.804 -2.544 -6.923 75 HG3 ARG 11 HG1 ARG 11 -0.120 -2.146 -5.347 76 HD2 ARG 11 HD2 ARG 11 -1.932 -3.202 -4.195 77 HD3 ARG 11 HD1 ARG 11 -2.878 -3.343 -5.673 78 HE ARG 11 HE ARG 11 -0.494 -4.742 -6.088 79 HH11 ARG 11 1HH2 ARG 11 -3.269 -4.818 -4.022 80 HH12 ARG 11 2HH2 ARG 11 -3.231 -6.535 -3.803 81 HH21 ARG 11 1HH1 ARG 11 -0.436 -6.994 -5.804 82 HH22 ARG 11 2HH1 ARG 11 -1.627 -7.768 -4.811 83 H ABA 12 H ABA 12 -0.458 1.188 -3.655 84 HA ABA 12 HA ABA 12 -2.364 3.421 -3.775 85 HB3 ABA 12 HB1 ABA 12 -0.090 4.478 -2.732 86 HB2 ABA 12 HB2 ABA 12 0.058 2.796 -2.220 87 HG1 ABA 12 HG ABA 12 -2.665 3.805 -1.703 88 H ARG 13 H ARG 13 -0.475 1.996 -5.922 89 HA ARG 13 HA ARG 13 -0.105 4.421 -7.458 90 HB2 ARG 13 HB2 ARG 13 1.988 4.535 -6.314 91 HB3 ARG 13 HB1 ARG 13 2.254 2.799 -6.488 92 HG2 ARG 13 HG2 ARG 13 3.615 4.163 -8.106 93 HG3 ARG 13 HG1 ARG 13 2.529 3.036 -8.904 94 HD2 ARG 13 HD2 ARG 13 0.976 4.762 -9.448 95 HD3 ARG 13 HD1 ARG 13 1.745 5.900 -8.344 96 HE ARG 13 HE ARG 13 3.682 5.200 -10.206 97 HH11 ARG 13 1HH2 ARG 13 0.521 6.608 -10.178 98 HH12 ARG 13 2HH2 ARG 13 0.793 7.585 -11.582 99 HH21 ARG 13 1HH1 ARG 13 4.046 6.477 -12.049 100 HH22 ARG 13 2HH1 ARG 13 2.788 7.510 -12.642 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 -1.199 6.263 3.348 2 H2 GLY 1 HT2 GLY 1 -1.020 5.437 4.823 3 H3 GLY 1 HT3 GLY 1 -2.510 6.148 4.418 4 HA2 GLY 1 HA2 GLY 1 -2.847 3.899 3.999 5 HA3 GLY 1 HA1 GLY 1 -2.526 4.607 2.417 6 H CYS 2 H CYS 2 -1.899 1.975 4.120 7 HA CYS 2 HA CYS 2 0.851 1.584 4.177 8 HB2 CYS 2 HB2 CYS 2 0.230 -0.873 3.759 9 HB3 CYS 2 HB1 CYS 2 -0.453 -0.096 5.183 10 H ABA 3 H ABA 3 -1.053 2.278 1.514 11 HA ABA 3 HA ABA 3 -0.389 0.859 -0.644 12 HB3 ABA 3 HB1 ABA 3 -0.054 3.002 -1.907 13 HB2 ABA 3 HB2 ABA 3 -0.098 3.855 -0.365 14 HG1 ABA 3 HG ABA 3 -2.445 2.258 -0.324 15 H SER 4 H SER 4 1.894 2.762 1.250 16 HA SER 4 HA SER 4 4.090 2.629 -0.551 17 HB2 SER 4 HB2 SER 4 5.463 3.188 1.399 18 HB3 SER 4 HB1 SER 4 3.999 4.169 1.372 19 HG SER 4 HG SER 4 3.095 2.770 2.890 20 H ASP 5 H ASP 5 3.028 0.475 2.051 21 HA ASP 5 HA ASP 5 5.250 -1.331 1.665 22 HB2 ASP 5 HB2 ASP 5 2.800 -1.423 3.426 23 HB3 ASP 5 HB1 ASP 5 4.023 -2.692 3.400 24 HA PRO 6 HA PRO 6 3.265 -3.914 -1.368 25 HB2 PRO 6 HB2 PRO 6 4.410 -6.347 -0.781 26 HB3 PRO 6 HB1 PRO 6 5.243 -5.048 -1.658 27 HG2 PRO 6 HG2 PRO 6 5.455 -5.848 1.200 28 HG3 PRO 6 HG1 PRO 6 6.712 -5.296 0.080 29 HD2 PRO 6 HD2 PRO 6 5.609 -3.672 1.978 30 HD3 PRO 6 HD1 PRO 6 6.244 -3.062 0.435 31 H ARG 7 H ARG 7 3.149 -4.861 2.011 32 HA ARG 7 HA ARG 7 1.201 -6.928 1.730 33 HB2 ARG 7 HB2 ARG 7 2.105 -5.266 4.087 34 HB3 ARG 7 HB1 ARG 7 0.934 -6.579 4.220 35 HG2 ARG 7 HG2 ARG 7 2.645 -8.094 3.135 36 HG3 ARG 7 HG1 ARG 7 3.810 -6.777 3.286 37 HD2 ARG 7 HD2 ARG 7 2.266 -7.969 5.600 38 HD3 ARG 7 HD1 ARG 7 3.917 -8.408 5.178 39 HE ARG 7 HE ARG 7 3.042 -5.912 6.407 40 HH11 ARG 7 1HH2 ARG 7 5.510 -7.698 4.763 41 HH12 ARG 7 2HH2 ARG 7 6.802 -6.687 5.315 42 HH21 ARG 7 1HH1 ARG 7 4.732 -4.581 7.133 43 HH22 ARG 7 2HH1 ARG 7 6.363 -4.922 6.656 44 H CYS 8 H CYS 8 0.998 -3.546 1.535 45 HA CYS 8 HA CYS 8 -1.433 -2.922 2.718 46 HB2 CYS 8 HB2 CYS 8 0.251 -1.410 1.505 47 HB3 CYS 8 HB1 CYS 8 -0.605 -1.842 0.034 48 H ARG 9 H ARG 9 -3.532 -3.247 2.241 49 HA ARG 9 HA ARG 9 -4.304 -5.330 0.505 50 HB2 ARG 9 HB2 ARG 9 -5.898 -3.135 1.839 51 HB3 ARG 9 HB1 ARG 9 -6.633 -4.452 0.924 52 HG2 ARG 9 HG2 ARG 9 -5.577 -6.100 2.412 53 HG3 ARG 9 HG1 ARG 9 -4.805 -4.798 3.318 54 HD2 ARG 9 HD2 ARG 9 -7.011 -3.901 3.932 55 HD3 ARG 9 HD1 ARG 9 -7.796 -5.181 3.011 56 HE ARG 9 HE ARG 9 -6.071 -6.388 4.871 57 HH11 ARG 9 1HH2 ARG 9 -8.928 -4.439 4.748 58 HH12 ARG 9 2HH2 ARG 9 -9.587 -5.067 6.220 59 HH21 ARG 9 1HH1 ARG 9 -6.930 -7.217 6.804 60 HH22 ARG 9 2HH1 ARG 9 -8.456 -6.640 7.385 61 H TYR 10 H TYR 10 -4.270 -1.820 0.130 62 HA TYR 10 HA TYR 10 -4.930 -2.176 -2.732 63 HB2 TYR 10 HB2 TYR 10 -5.961 0.082 -2.626 64 HB3 TYR 10 HB1 TYR 10 -6.788 -1.093 -1.601 65 HD1 TYR 10 HD1 TYR 10 -6.535 -1.029 0.847 66 HD2 TYR 10 HD2 TYR 10 -4.655 1.897 -1.672 67 HE1 TYR 10 HE1 TYR 10 -6.132 0.413 2.823 68 HE2 TYR 10 HE2 TYR 10 -4.250 3.339 0.306 69 HH TYR 10 HH TYR 10 -4.076 3.178 2.691 70 H ARG 11 H ARG 11 -4.005 -0.582 -4.172 71 HA ARG 11 HA ARG 11 -1.344 0.279 -3.257 72 HB2 ARG 11 HB2 ARG 11 -1.421 -1.270 -5.177 73 HB3 ARG 11 HB1 ARG 11 -2.404 -0.106 -6.066 74 HG2 ARG 11 HG2 ARG 11 -0.616 1.532 -6.009 75 HG3 ARG 11 HG1 ARG 11 0.353 0.492 -4.967 76 HD2 ARG 11 HD2 ARG 11 0.488 -1.196 -6.739 77 HD3 ARG 11 HD1 ARG 11 -0.537 -0.211 -7.777 78 HE ARG 11 HE ARG 11 1.623 1.391 -7.063 79 HH11 ARG 11 1HH2 ARG 11 1.036 -1.609 -8.684 80 HH12 ARG 11 2HH2 ARG 11 2.409 -1.471 -9.731 81 HH21 ARG 11 1HH1 ARG 11 3.426 1.579 -8.431 82 HH22 ARG 11 2HH1 ARG 11 3.763 0.333 -9.587 83 H ABA 12 H ABA 12 -0.655 2.362 -3.445 84 HA ABA 12 HA ABA 12 -2.515 4.344 -4.587 85 HB3 ABA 12 HB1 ABA 12 -2.538 5.656 -2.715 86 HB2 ABA 12 HB2 ABA 12 -0.973 5.097 -2.151 87 HG1 ABA 12 HG ABA 12 -3.672 3.804 -1.706 88 H ARG 13 H ARG 13 -1.482 6.397 -5.116 89 HA ARG 13 HA ARG 13 1.206 5.956 -6.179 90 HB2 ARG 13 HB2 ARG 13 -0.357 8.492 -6.549 91 HB3 ARG 13 HB1 ARG 13 0.785 7.717 -7.646 92 HG2 ARG 13 HG2 ARG 13 -1.984 6.685 -6.955 93 HG3 ARG 13 HG1 ARG 13 -1.511 7.446 -8.471 94 HD2 ARG 13 HD2 ARG 13 -0.453 4.833 -7.361 95 HD3 ARG 13 HD1 ARG 13 -1.490 5.035 -8.768 96 HE ARG 13 HE ARG 13 1.372 5.530 -8.639 97 HH11 ARG 13 1HH2 ARG 13 -1.630 6.044 -10.284 98 HH12 ARG 13 2HH2 ARG 13 -0.890 6.413 -11.806 99 HH21 ARG 13 1HH1 ARG 13 2.347 6.014 -10.630 100 HH22 ARG 13 2HH1 ARG 13 1.361 6.395 -12.002 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 0.427 5.236 6.647 2 H2 GLY 1 HT2 GLY 1 1.806 4.800 7.539 3 H3 GLY 1 HT3 GLY 1 0.746 3.602 6.966 4 HA2 GLY 1 HA2 GLY 1 1.654 5.214 4.819 5 HA3 GLY 1 HA1 GLY 1 3.015 4.544 5.719 6 H CYS 2 H CYS 2 -0.247 3.252 5.098 7 HA CYS 2 HA CYS 2 0.658 0.604 4.667 8 HB2 CYS 2 HB2 CYS 2 -1.689 1.314 5.299 9 HB3 CYS 2 HB1 CYS 2 -1.908 1.811 3.622 10 H ABA 3 H ABA 3 -0.237 3.219 2.469 11 HA ABA 3 HA ABA 3 -0.048 1.910 0.025 12 HB3 ABA 3 HB1 ABA 3 0.823 4.287 -0.714 13 HB2 ABA 3 HB2 ABA 3 0.374 4.728 0.929 14 HG1 ABA 3 HG ABA 3 -1.953 4.313 0.500 15 H SER 4 H SER 4 2.475 3.186 2.099 16 HA SER 4 HA SER 4 4.608 2.999 0.240 17 HB2 SER 4 HB2 SER 4 6.049 3.357 2.090 18 HB3 SER 4 HB1 SER 4 4.576 4.245 2.467 19 HG SER 4 HG SER 4 5.665 2.002 3.648 20 H ASP 5 H ASP 5 2.916 0.604 2.104 21 HA ASP 5 HA ASP 5 5.066 -1.338 1.677 22 HB2 ASP 5 HB2 ASP 5 4.211 -2.563 3.415 23 HB3 ASP 5 HB1 ASP 5 3.706 -0.947 3.894 24 HA PRO 6 HA PRO 6 2.757 -3.047 -1.772 25 HB2 PRO 6 HB2 PRO 6 4.005 -5.465 -2.004 26 HB3 PRO 6 HB1 PRO 6 4.738 -3.934 -2.524 27 HG2 PRO 6 HG2 PRO 6 5.206 -5.511 -0.042 28 HG3 PRO 6 HG1 PRO 6 6.358 -4.625 -1.054 29 HD2 PRO 6 HD2 PRO 6 5.377 -3.645 1.311 30 HD3 PRO 6 HD1 PRO 6 5.939 -2.619 -0.027 31 H ARG 7 H ARG 7 2.910 -4.519 1.343 32 HA ARG 7 HA ARG 7 1.104 -6.688 0.807 33 HB2 ARG 7 HB2 ARG 7 1.884 -5.422 3.446 34 HB3 ARG 7 HB1 ARG 7 1.091 -6.982 3.238 35 HG2 ARG 7 HG2 ARG 7 3.822 -6.258 2.136 36 HG3 ARG 7 HG1 ARG 7 3.540 -7.233 3.576 37 HD2 ARG 7 HD2 ARG 7 3.752 -8.922 2.017 38 HD3 ARG 7 HD1 ARG 7 2.021 -8.635 1.888 39 HE ARG 7 HE ARG 7 3.538 -6.981 0.091 40 HH11 ARG 7 1HH2 ARG 7 2.199 -10.124 0.636 41 HH12 ARG 7 2HH2 ARG 7 2.059 -10.509 -1.047 42 HH21 ARG 7 1HH1 ARG 7 3.356 -7.477 -2.118 43 HH22 ARG 7 2HH1 ARG 7 2.714 -9.009 -2.606 44 H CYS 8 H CYS 8 0.713 -3.338 1.231 45 HA CYS 8 HA CYS 8 -1.577 -2.962 2.674 46 HB2 CYS 8 HB2 CYS 8 -0.158 -1.320 1.171 47 HB3 CYS 8 HB1 CYS 8 -1.417 -1.660 -0.018 48 H ARG 9 H ARG 9 -3.801 -2.883 2.189 49 HA ARG 9 HA ARG 9 -4.817 -5.193 0.956 50 HB2 ARG 9 HB2 ARG 9 -6.166 -2.602 1.747 51 HB3 ARG 9 HB1 ARG 9 -7.044 -4.021 1.181 52 HG2 ARG 9 HG2 ARG 9 -5.154 -4.017 3.555 53 HG3 ARG 9 HG1 ARG 9 -6.905 -3.874 3.686 54 HD2 ARG 9 HD2 ARG 9 -6.783 -6.152 3.891 55 HD3 ARG 9 HD1 ARG 9 -6.746 -6.092 2.134 56 HE ARG 9 HE ARG 9 -4.129 -5.903 3.347 57 HH11 ARG 9 1HH2 ARG 9 -6.667 -7.973 2.229 58 HH12 ARG 9 2HH2 ARG 9 -5.624 -9.326 1.941 59 HH21 ARG 9 1HH1 ARG 9 -2.756 -7.673 2.973 60 HH22 ARG 9 2HH1 ARG 9 -3.410 -9.156 2.363 61 H TYR 10 H TYR 10 -4.359 -1.915 -0.236 62 HA TYR 10 HA TYR 10 -4.997 -2.894 -2.946 63 HB2 TYR 10 HB2 TYR 10 -6.227 -0.886 -3.445 64 HB3 TYR 10 HB1 TYR 10 -6.922 -1.598 -1.987 65 HD1 TYR 10 HD2 TYR 10 -6.235 -0.685 0.279 66 HD2 TYR 10 HD1 TYR 10 -5.236 1.276 -3.410 67 HE1 TYR 10 HE2 TYR 10 -5.785 1.416 1.516 68 HE2 TYR 10 HE1 TYR 10 -4.779 3.375 -2.173 69 HH TYR 10 HH TYR 10 -4.314 3.518 1.090 70 H ARG 11 H ARG 11 -4.012 -1.640 -4.653 71 HA ARG 11 HA ARG 11 -1.332 -0.843 -3.985 72 HB2 ARG 11 HB2 ARG 11 -2.777 -0.569 -6.630 73 HB3 ARG 11 HB1 ARG 11 -1.032 -0.555 -6.367 74 HG2 ARG 11 HG2 ARG 11 -2.873 -2.890 -5.765 75 HG3 ARG 11 HG1 ARG 11 -1.806 -2.771 -7.163 76 HD2 ARG 11 HD2 ARG 11 -0.457 -3.980 -5.717 77 HD3 ARG 11 HD1 ARG 11 0.039 -2.341 -5.309 78 HE ARG 11 HE ARG 11 -2.152 -3.116 -3.678 79 HH11 ARG 11 1HH2 ARG 11 1.214 -3.698 -4.231 80 HH12 ARG 11 2HH2 ARG 11 1.550 -4.133 -2.589 81 HH21 ARG 11 1HH1 ARG 11 -1.718 -3.686 -1.523 82 HH22 ARG 11 2HH1 ARG 11 -0.110 -4.126 -1.055 83 H ABA 12 H ABA 12 -0.534 1.156 -3.696 84 HA ABA 12 HA ABA 12 -2.416 3.401 -3.806 85 HB3 ABA 12 HB1 ABA 12 -0.056 4.379 -2.802 86 HB2 ABA 12 HB2 ABA 12 -0.031 2.709 -2.242 87 HG1 ABA 12 HG ABA 12 -2.682 3.905 -1.756 88 H ARG 13 H ARG 13 -0.560 1.991 -5.995 89 HA ARG 13 HA ARG 13 0.953 4.260 -6.971 90 HB2 ARG 13 HB2 ARG 13 0.603 1.409 -7.722 91 HB3 ARG 13 HB1 ARG 13 0.983 2.519 -9.039 92 HG2 ARG 13 HG2 ARG 13 3.051 1.624 -8.073 93 HG3 ARG 13 HG1 ARG 13 2.933 3.353 -7.757 94 HD2 ARG 13 HD2 ARG 13 2.243 2.984 -5.494 95 HD3 ARG 13 HD1 ARG 13 1.981 1.268 -5.788 96 HE ARG 13 HE ARG 13 4.660 1.744 -6.346 97 HH11 ARG 13 1HH2 ARG 13 2.475 2.059 -3.682 98 HH12 ARG 13 2HH2 ARG 13 3.688 1.787 -2.476 99 HH21 ARG 13 1HH1 ARG 13 6.257 1.387 -4.771 100 HH22 ARG 13 2HH1 ARG 13 5.829 1.406 -3.093 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 -0.404 6.858 3.841 2 H2 GLY 1 HT2 GLY 1 -0.996 5.295 3.539 3 H3 GLY 1 HT3 GLY 1 -0.011 6.070 2.392 4 HA2 GLY 1 HA2 GLY 1 1.908 5.800 3.624 5 HA3 GLY 1 HA1 GLY 1 0.995 5.556 5.114 6 H CYS 2 H CYS 2 -0.932 3.739 4.101 7 HA CYS 2 HA CYS 2 0.422 1.284 4.419 8 HB2 CYS 2 HB2 CYS 2 -1.986 1.624 4.908 9 HB3 CYS 2 HB1 CYS 2 -2.300 1.775 3.180 10 H ABA 3 H ABA 3 -0.843 2.918 1.542 11 HA ABA 3 HA ABA 3 -0.321 0.982 -0.366 12 HB3 ABA 3 HB1 ABA 3 0.003 2.940 -1.941 13 HB2 ABA 3 HB2 ABA 3 -0.142 3.987 -0.527 14 HG1 ABA 3 HG ABA 3 -2.411 2.249 -0.409 15 H SER 4 H SER 4 1.918 2.803 1.494 16 HA SER 4 HA SER 4 4.132 2.721 -0.302 17 HB2 SER 4 HB2 SER 4 5.429 3.506 1.518 18 HB3 SER 4 HB1 SER 4 3.835 4.218 1.751 19 HG SER 4 HG SER 4 5.181 2.673 3.407 20 H ASP 5 H ASP 5 2.624 0.389 1.730 21 HA ASP 5 HA ASP 5 4.986 -1.333 1.640 22 HB2 ASP 5 HB2 ASP 5 2.447 -1.574 3.253 23 HB3 ASP 5 HB1 ASP 5 3.789 -2.710 3.307 24 HA PRO 6 HA PRO 6 3.080 -3.818 -1.567 25 HB2 PRO 6 HB2 PRO 6 4.433 -6.173 -1.186 26 HB3 PRO 6 HB1 PRO 6 5.151 -4.744 -1.958 27 HG2 PRO 6 HG2 PRO 6 5.470 -5.768 0.814 28 HG3 PRO 6 HG1 PRO 6 6.663 -5.019 -0.261 29 HD2 PRO 6 HD2 PRO 6 5.436 -3.675 1.779 30 HD3 PRO 6 HD1 PRO 6 6.055 -2.888 0.309 31 H ARG 7 H ARG 7 3.093 -4.832 1.761 32 HA ARG 7 HA ARG 7 1.289 -7.047 1.405 33 HB2 ARG 7 HB2 ARG 7 2.189 -5.548 3.875 34 HB3 ARG 7 HB1 ARG 7 1.177 -6.992 3.902 35 HG2 ARG 7 HG2 ARG 7 2.911 -8.313 2.859 36 HG3 ARG 7 HG1 ARG 7 3.900 -6.879 2.579 37 HD2 ARG 7 HD2 ARG 7 3.079 -7.866 5.322 38 HD3 ARG 7 HD1 ARG 7 4.631 -8.220 4.569 39 HE ARG 7 HE ARG 7 4.289 -5.440 4.517 40 HH11 ARG 7 1HH2 ARG 7 4.597 -8.029 6.792 41 HH12 ARG 7 2HH2 ARG 7 5.350 -7.052 8.010 42 HH21 ARG 7 1HH1 ARG 7 5.275 -4.154 6.108 43 HH22 ARG 7 2HH1 ARG 7 5.733 -4.859 7.621 44 H CYS 8 H CYS 8 0.904 -3.705 1.356 45 HA CYS 8 HA CYS 8 -1.495 -3.293 2.769 46 HB2 CYS 8 HB2 CYS 8 0.075 -1.585 1.664 47 HB3 CYS 8 HB1 CYS 8 -0.833 -1.900 0.186 48 H ARG 9 H ARG 9 -3.610 -3.506 2.254 49 HA ARG 9 HA ARG 9 -4.394 -5.519 0.458 50 HB2 ARG 9 HB2 ARG 9 -5.971 -3.331 1.831 51 HB3 ARG 9 HB1 ARG 9 -6.718 -4.611 0.876 52 HG2 ARG 9 HG2 ARG 9 -4.767 -5.395 3.004 53 HG3 ARG 9 HG1 ARG 9 -6.382 -4.893 3.501 54 HD2 ARG 9 HD2 ARG 9 -7.369 -6.575 1.984 55 HD3 ARG 9 HD1 ARG 9 -5.759 -7.079 1.488 56 HE ARG 9 HE ARG 9 -5.874 -7.280 4.277 57 HH11 ARG 9 1HH2 ARG 9 -7.362 -8.624 1.457 58 HH12 ARG 9 2HH2 ARG 9 -7.677 -10.163 2.187 59 HH21 ARG 9 1HH1 ARG 9 -6.282 -9.297 5.241 60 HH22 ARG 9 2HH1 ARG 9 -7.066 -10.543 4.329 61 H TYR 10 H TYR 10 -4.278 -2.004 0.145 62 HA TYR 10 HA TYR 10 -4.893 -2.313 -2.733 63 HB2 TYR 10 HB2 TYR 10 -5.954 -0.097 -2.659 64 HB3 TYR 10 HB1 TYR 10 -6.771 -1.230 -1.581 65 HD1 TYR 10 HD1 TYR 10 -6.470 -1.085 0.866 66 HD2 TYR 10 HD2 TYR 10 -4.663 1.763 -1.793 67 HE1 TYR 10 HE1 TYR 10 -6.049 0.434 2.780 68 HE2 TYR 10 HE2 TYR 10 -4.238 3.282 0.123 69 HH TYR 10 HH TYR 10 -5.337 3.626 2.472 70 H ARG 11 H ARG 11 -3.885 -0.740 -4.132 71 HA ARG 11 HA ARG 11 -1.288 0.172 -3.066 72 HB2 ARG 11 HB2 ARG 11 -2.166 -0.384 -5.907 73 HB3 ARG 11 HB1 ARG 11 -0.562 0.177 -5.433 74 HG2 ARG 11 HG2 ARG 11 -0.261 -1.841 -4.045 75 HG3 ARG 11 HG1 ARG 11 -1.865 -2.404 -4.518 76 HD2 ARG 11 HD2 ARG 11 -0.227 -3.501 -5.926 77 HD3 ARG 11 HD1 ARG 11 -1.127 -2.360 -6.903 78 HE ARG 11 HE ARG 11 1.662 -2.031 -5.993 79 HH11 ARG 11 1HH2 ARG 11 -1.077 -0.924 -7.801 80 HH12 ARG 11 2HH2 ARG 11 -0.172 0.215 -8.730 81 HH21 ARG 11 1HH1 ARG 11 2.851 -0.532 -7.211 82 HH22 ARG 11 2HH1 ARG 11 2.050 0.441 -8.398 83 H ABA 12 H ABA 12 -0.496 2.246 -3.580 84 HA ABA 12 HA ABA 12 -2.352 4.145 -4.819 85 HB3 ABA 12 HB1 ABA 12 -2.548 5.522 -3.007 86 HB2 ABA 12 HB2 ABA 12 -1.003 5.059 -2.345 87 HG1 ABA 12 HG ABA 12 -3.660 3.661 -1.947 88 H ARG 13 H ARG 13 -1.310 6.201 -5.353 89 HA ARG 13 HA ARG 13 1.371 5.762 -6.351 90 HB2 ARG 13 HB2 ARG 13 -0.169 8.354 -6.477 91 HB3 ARG 13 HB1 ARG 13 1.072 7.763 -7.585 92 HG2 ARG 13 HG2 ARG 13 -1.667 6.512 -7.199 93 HG3 ARG 13 HG1 ARG 13 -1.188 7.526 -8.559 94 HD2 ARG 13 HD2 ARG 13 -0.864 5.350 -9.384 95 HD3 ARG 13 HD1 ARG 13 0.751 5.828 -8.868 96 HE ARG 13 HE ARG 13 0.633 4.227 -7.180 97 HH11 ARG 13 1HH2 ARG 13 -2.468 4.800 -8.601 98 HH12 ARG 13 2HH2 ARG 13 -3.237 3.472 -7.796 99 HH21 ARG 13 1HH1 ARG 13 -0.366 2.485 -6.119 100 HH22 ARG 13 2HH1 ARG 13 -2.047 2.162 -6.390 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 1.416 5.446 3.918 2 H2 GLY 1 HT2 GLY 1 3.016 4.999 3.564 3 H3 GLY 1 HT3 GLY 1 2.701 6.154 4.769 4 HA2 GLY 1 HA2 GLY 1 3.232 4.115 5.850 5 HA3 GLY 1 HA1 GLY 1 1.509 4.427 6.054 6 H CYS 2 H CYS 2 0.009 3.095 5.069 7 HA CYS 2 HA CYS 2 0.807 0.448 4.462 8 HB2 CYS 2 HB2 CYS 2 -1.472 1.211 5.295 9 HB3 CYS 2 HB1 CYS 2 -1.796 1.757 3.650 10 H ABA 3 H ABA 3 -0.202 3.181 2.463 11 HA ABA 3 HA ABA 3 -0.277 2.088 -0.041 12 HB3 ABA 3 HB1 ABA 3 0.896 4.413 -0.655 13 HB2 ABA 3 HB2 ABA 3 0.513 4.752 1.029 14 HG1 ABA 3 HG ABA 3 -1.843 4.673 0.599 15 H SER 4 H SER 4 2.624 3.308 1.623 16 HA SER 4 HA SER 4 4.454 2.645 -0.423 17 HB2 SER 4 HB2 SER 4 6.172 2.895 1.308 18 HB3 SER 4 HB1 SER 4 4.987 4.194 1.417 19 HG SER 4 HG SER 4 4.884 3.537 3.423 20 H ASP 5 H ASP 5 3.203 0.821 2.334 21 HA ASP 5 HA ASP 5 4.993 -1.352 2.067 22 HB2 ASP 5 HB2 ASP 5 2.284 -1.195 3.380 23 HB3 ASP 5 HB1 ASP 5 3.392 -2.564 3.526 24 HA PRO 6 HA PRO 6 3.020 -3.276 -1.499 25 HB2 PRO 6 HB2 PRO 6 4.331 -5.678 -1.462 26 HB3 PRO 6 HB1 PRO 6 5.078 -4.172 -2.033 27 HG2 PRO 6 HG2 PRO 6 5.378 -5.568 0.577 28 HG3 PRO 6 HG1 PRO 6 6.585 -4.712 -0.396 29 HD2 PRO 6 HD2 PRO 6 5.384 -3.624 1.820 30 HD3 PRO 6 HD1 PRO 6 6.042 -2.663 0.475 31 H ARG 7 H ARG 7 2.885 -4.477 1.713 32 HA ARG 7 HA ARG 7 1.158 -6.723 1.155 33 HB2 ARG 7 HB2 ARG 7 1.860 -5.342 3.759 34 HB3 ARG 7 HB1 ARG 7 0.976 -6.861 3.619 35 HG2 ARG 7 HG2 ARG 7 3.622 -6.625 2.238 36 HG3 ARG 7 HG1 ARG 7 3.606 -6.860 3.986 37 HD2 ARG 7 HD2 ARG 7 2.157 -8.630 1.991 38 HD3 ARG 7 HD1 ARG 7 3.706 -9.013 2.734 39 HE ARG 7 HE ARG 7 1.912 -8.456 4.804 40 HH11 ARG 7 1HH2 ARG 7 2.346 -10.719 2.222 41 HH12 ARG 7 2HH2 ARG 7 1.556 -12.021 3.045 42 HH21 ARG 7 1HH1 ARG 7 0.875 -10.160 5.891 43 HH22 ARG 7 2HH1 ARG 7 0.723 -11.705 5.123 44 H CYS 8 H CYS 8 0.698 -3.399 1.232 45 HA CYS 8 HA CYS 8 -1.691 -3.011 2.590 46 HB2 CYS 8 HB2 CYS 8 -0.127 -1.410 1.129 47 HB3 CYS 8 HB1 CYS 8 -1.390 -1.696 -0.067 48 H ARG 9 H ARG 9 -3.841 -3.194 2.083 49 HA ARG 9 HA ARG 9 -4.644 -5.423 0.569 50 HB2 ARG 9 HB2 ARG 9 -6.240 -3.049 1.565 51 HB3 ARG 9 HB1 ARG 9 -6.953 -4.511 0.888 52 HG2 ARG 9 HG2 ARG 9 -5.100 -4.465 3.288 53 HG3 ARG 9 HG1 ARG 9 -6.857 -4.537 3.396 54 HD2 ARG 9 HD2 ARG 9 -6.431 -6.796 3.465 55 HD3 ARG 9 HD1 ARG 9 -6.459 -6.605 1.716 56 HE ARG 9 HE ARG 9 -4.185 -7.045 1.689 57 HH11 ARG 9 1HH2 ARG 9 -5.238 -6.162 4.865 58 HH12 ARG 9 2HH2 ARG 9 -3.719 -6.517 5.618 59 HH21 ARG 9 1HH1 ARG 9 -2.189 -7.512 2.670 60 HH22 ARG 9 2HH1 ARG 9 -1.993 -7.282 4.375 61 H TYR 10 H TYR 10 -4.496 -1.987 -0.222 62 HA TYR 10 HA TYR 10 -5.062 -2.693 -3.039 63 HB2 TYR 10 HB2 TYR 10 -6.250 -0.574 -3.288 64 HB3 TYR 10 HB1 TYR 10 -7.007 -1.548 -2.026 65 HD1 TYR 10 HD1 TYR 10 -6.580 -1.033 0.380 66 HD2 TYR 10 HD2 TYR 10 -5.162 1.511 -2.777 67 HE1 TYR 10 HE1 TYR 10 -6.231 0.799 2.014 68 HE2 TYR 10 HE2 TYR 10 -4.811 3.342 -1.144 69 HH TYR 10 HH TYR 10 -4.829 2.847 2.203 70 H ARG 11 H ARG 11 -4.000 -1.426 -4.608 71 HA ARG 11 HA ARG 11 -1.378 -0.563 -3.832 72 HB2 ARG 11 HB2 ARG 11 -2.854 -0.475 -6.470 73 HB3 ARG 11 HB1 ARG 11 -1.176 0.031 -6.269 74 HG2 ARG 11 HG2 ARG 11 -0.585 -2.207 -5.436 75 HG3 ARG 11 HG1 ARG 11 -2.264 -2.721 -5.603 76 HD2 ARG 11 HD2 ARG 11 -2.158 -2.284 -8.028 77 HD3 ARG 11 HD1 ARG 11 -0.482 -1.768 -7.864 78 HE ARG 11 HE ARG 11 -0.713 -4.355 -6.782 79 HH11 ARG 11 1HH2 ARG 11 -0.969 -2.672 -9.794 80 HH12 ARG 11 2HH2 ARG 11 -0.470 -4.026 -10.752 81 HH21 ARG 11 1HH1 ARG 11 -0.057 -6.135 -8.030 82 HH22 ARG 11 2HH1 ARG 11 0.046 -5.987 -9.754 83 H ABA 12 H ABA 12 -0.534 1.490 -3.765 84 HA ABA 12 HA ABA 12 -2.513 3.660 -3.636 85 HB3 ABA 12 HB1 ABA 12 -0.038 4.630 -2.781 86 HB2 ABA 12 HB2 ABA 12 -0.096 2.976 -2.181 87 HG1 ABA 12 HG ABA 12 -2.637 4.424 -1.666 88 H ARG 13 H ARG 13 -0.554 2.348 -5.877 89 HA ARG 13 HA ARG 13 0.418 4.889 -6.984 90 HB2 ARG 13 HB2 ARG 13 1.116 2.023 -7.321 91 HB3 ARG 13 HB1 ARG 13 1.245 3.030 -8.765 92 HG2 ARG 13 HG2 ARG 13 3.376 3.022 -7.552 93 HG3 ARG 13 HG1 ARG 13 2.659 4.630 -7.506 94 HD2 ARG 13 HD2 ARG 13 1.867 4.298 -5.257 95 HD3 ARG 13 HD1 ARG 13 2.281 2.589 -5.307 96 HE ARG 13 HE ARG 13 4.644 3.990 -5.769 97 HH11 ARG 13 1HH2 ARG 13 2.226 3.684 -3.313 98 HH12 ARG 13 2HH2 ARG 13 3.314 4.011 -2.006 99 HH21 ARG 13 1HH1 ARG 13 6.077 4.421 -4.060 100 HH22 ARG 13 2HH1 ARG 13 5.495 4.429 -2.429 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 2.366 6.456 5.585 2 H2 GLY 1 HT2 GLY 1 2.976 4.870 5.585 3 H3 GLY 1 HT3 GLY 1 1.456 5.199 6.269 4 HA2 GLY 1 HA2 GLY 1 0.463 5.595 4.199 5 HA3 GLY 1 HA1 GLY 1 2.038 5.687 3.409 6 H CYS 2 H CYS 2 -0.525 3.640 4.350 7 HA CYS 2 HA CYS 2 0.754 1.140 4.499 8 HB2 CYS 2 HB2 CYS 2 -1.571 1.478 5.170 9 HB3 CYS 2 HB1 CYS 2 -2.015 1.811 3.497 10 H ABA 3 H ABA 3 -0.687 2.837 1.720 11 HA ABA 3 HA ABA 3 -0.353 0.927 -0.244 12 HB3 ABA 3 HB1 ABA 3 -0.108 2.873 -1.825 13 HB2 ABA 3 HB2 ABA 3 -0.040 3.925 -0.409 14 HG1 ABA 3 HG ABA 3 -2.399 2.324 -0.056 15 H SER 4 H SER 4 2.075 2.825 1.356 16 HA SER 4 HA SER 4 4.133 2.571 -0.596 17 HB2 SER 4 HB2 SER 4 5.587 3.436 1.061 18 HB3 SER 4 HB1 SER 4 4.029 4.188 1.390 19 HG SER 4 HG SER 4 4.304 3.367 3.305 20 H ASP 5 H ASP 5 2.769 0.387 1.693 21 HA ASP 5 HA ASP 5 5.103 -1.372 1.532 22 HB2 ASP 5 HB2 ASP 5 4.350 -2.432 3.466 23 HB3 ASP 5 HB1 ASP 5 3.905 -0.750 3.734 24 HA PRO 6 HA PRO 6 2.992 -3.999 -1.397 25 HB2 PRO 6 HB2 PRO 6 4.247 -6.388 -0.876 26 HB3 PRO 6 HB1 PRO 6 4.995 -5.061 -1.789 27 HG2 PRO 6 HG2 PRO 6 5.378 -5.872 1.045 28 HG3 PRO 6 HG1 PRO 6 6.559 -5.270 -0.131 29 HD2 PRO 6 HD2 PRO 6 5.492 -3.704 1.835 30 HD3 PRO 6 HD1 PRO 6 6.063 -3.069 0.277 31 H ARG 7 H ARG 7 3.032 -4.747 2.000 32 HA ARG 7 HA ARG 7 1.208 -6.946 1.917 33 HB2 ARG 7 HB2 ARG 7 1.929 -5.076 4.193 34 HB3 ARG 7 HB1 ARG 7 1.049 -6.594 4.355 35 HG2 ARG 7 HG2 ARG 7 3.710 -6.598 2.969 36 HG3 ARG 7 HG1 ARG 7 3.667 -6.545 4.730 37 HD2 ARG 7 HD2 ARG 7 2.219 -8.581 4.714 38 HD3 ARG 7 HD1 ARG 7 2.369 -8.651 2.964 39 HE ARG 7 HE ARG 7 4.956 -8.582 4.086 40 HH11 ARG 7 1HH2 ARG 7 2.146 -10.590 3.875 41 HH12 ARG 7 2HH2 ARG 7 3.027 -12.075 4.007 42 HH21 ARG 7 1HH1 ARG 7 6.119 -10.526 4.259 43 HH22 ARG 7 2HH1 ARG 7 5.277 -12.039 4.225 44 H CYS 8 H CYS 8 0.829 -3.570 1.584 45 HA CYS 8 HA CYS 8 -1.668 -3.089 2.756 46 HB2 CYS 8 HB2 CYS 8 0.063 -1.557 1.404 47 HB3 CYS 8 HB1 CYS 8 -1.100 -1.861 0.111 48 H ARG 9 H ARG 9 -3.768 -3.290 2.065 49 HA ARG 9 HA ARG 9 -4.431 -5.497 0.450 50 HB2 ARG 9 HB2 ARG 9 -6.072 -3.156 1.425 51 HB3 ARG 9 HB1 ARG 9 -6.764 -4.517 0.543 52 HG2 ARG 9 HG2 ARG 9 -5.944 -6.071 2.261 53 HG3 ARG 9 HG1 ARG 9 -5.198 -4.729 3.131 54 HD2 ARG 9 HD2 ARG 9 -7.374 -5.309 4.125 55 HD3 ARG 9 HD1 ARG 9 -7.409 -3.686 3.439 56 HE ARG 9 HE ARG 9 -8.930 -4.442 1.840 57 HH11 ARG 9 1HH2 ARG 9 -7.480 -7.069 3.564 58 HH12 ARG 9 2HH2 ARG 9 -8.554 -8.265 2.918 59 HH21 ARG 9 1HH1 ARG 9 -10.341 -6.005 0.990 60 HH22 ARG 9 2HH1 ARG 9 -10.173 -7.663 1.461 61 H TYR 10 H TYR 10 -4.235 -2.035 -0.260 62 HA TYR 10 HA TYR 10 -4.313 -2.689 -3.129 63 HB2 TYR 10 HB2 TYR 10 -5.875 -0.920 -3.607 64 HB3 TYR 10 HB1 TYR 10 -6.605 -1.967 -2.389 65 HD1 TYR 10 HD1 TYR 10 -6.326 -1.300 0.083 66 HD2 TYR 10 HD2 TYR 10 -5.571 1.384 -3.183 67 HE1 TYR 10 HE1 TYR 10 -6.550 0.632 1.621 68 HE2 TYR 10 HE2 TYR 10 -5.793 3.317 -1.646 69 HH TYR 10 HH TYR 10 -6.014 2.896 1.813 70 H ARG 11 H ARG 11 -3.361 -1.042 -4.479 71 HA ARG 11 HA ARG 11 -1.175 0.335 -3.134 72 HB2 ARG 11 HB2 ARG 11 -1.838 0.028 -6.071 73 HB3 ARG 11 HB1 ARG 11 -0.376 0.783 -5.434 74 HG2 ARG 11 HG2 ARG 11 0.268 -1.304 -4.337 75 HG3 ARG 11 HG1 ARG 11 -1.228 -2.071 -4.869 76 HD2 ARG 11 HD2 ARG 11 0.550 -2.728 -6.384 77 HD3 ARG 11 HD1 ARG 11 -0.544 -1.643 -7.238 78 HE ARG 11 HE ARG 11 1.556 -0.145 -6.059 79 HH11 ARG 11 1HH2 ARG 11 0.876 -2.408 -8.587 80 HH12 ARG 11 2HH2 ARG 11 2.143 -1.842 -9.624 81 HH21 ARG 11 1HH1 ARG 11 3.221 0.603 -7.412 82 HH22 ARG 11 2HH1 ARG 11 3.470 -0.137 -8.958 83 H ABA 12 H ABA 12 -0.663 2.577 -3.552 84 HA ABA 12 HA ABA 12 -3.011 4.234 -4.246 85 HB3 ABA 12 HB1 ABA 12 -2.568 5.706 -2.457 86 HB2 ABA 12 HB2 ABA 12 -0.991 5.006 -2.168 87 HG1 ABA 12 HG ABA 12 -3.707 3.830 -1.415 88 H ARG 13 H ARG 13 -1.707 6.696 -3.923 89 HA ARG 13 HA ARG 13 0.497 6.596 -5.877 90 HB2 ARG 13 HB2 ARG 13 -1.040 8.930 -6.403 91 HB3 ARG 13 HB1 ARG 13 -0.747 7.556 -7.471 92 HG2 ARG 13 HG2 ARG 13 -3.142 7.831 -7.206 93 HG3 ARG 13 HG1 ARG 13 -2.651 6.360 -6.375 94 HD2 ARG 13 HD2 ARG 13 -3.631 7.178 -4.516 95 HD3 ARG 13 HD1 ARG 13 -2.360 8.393 -4.464 96 HE ARG 13 HE ARG 13 -4.397 9.200 -6.267 97 HH11 ARG 13 1HH2 ARG 13 -3.676 8.774 -2.910 98 HH12 ARG 13 2HH2 ARG 13 -4.764 10.011 -2.377 99 HH21 ARG 13 1HH1 ARG 13 -5.828 10.826 -5.575 100 HH22 ARG 13 2HH1 ARG 13 -5.981 11.174 -3.885 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 -3.310 4.553 5.042 2 H2 GLY 1 HT2 GLY 1 -2.384 3.129 5.055 3 H3 GLY 1 HT3 GLY 1 -3.662 3.304 3.949 4 HA2 GLY 1 HA2 GLY 1 -2.470 4.545 2.522 5 HA3 GLY 1 HA1 GLY 1 -1.599 5.347 3.833 6 H CYS 2 H CYS 2 -1.800 1.973 4.151 7 HA CYS 2 HA CYS 2 0.944 1.528 4.180 8 HB2 CYS 2 HB2 CYS 2 0.261 -0.913 3.726 9 HB3 CYS 2 HB1 CYS 2 -0.367 -0.145 5.182 10 H ABA 3 H ABA 3 -0.986 2.248 1.532 11 HA ABA 3 HA ABA 3 -0.352 0.811 -0.627 12 HB3 ABA 3 HB1 ABA 3 -0.115 2.888 -1.939 13 HB2 ABA 3 HB2 ABA 3 0.054 3.805 -0.441 14 HG1 ABA 3 HG ABA 3 -2.370 2.338 -0.126 15 H SER 4 H SER 4 1.960 2.692 1.247 16 HA SER 4 HA SER 4 4.133 2.536 -0.581 17 HB2 SER 4 HB2 SER 4 5.533 3.075 1.376 18 HB3 SER 4 HB1 SER 4 4.106 4.106 1.299 19 HG SER 4 HG SER 4 4.806 2.133 3.110 20 H ASP 5 H ASP 5 3.088 0.420 2.058 21 HA ASP 5 HA ASP 5 5.293 -1.404 1.670 22 HB2 ASP 5 HB2 ASP 5 2.849 -1.469 3.443 23 HB3 ASP 5 HB1 ASP 5 4.071 -2.740 3.429 24 HA PRO 6 HA PRO 6 3.257 -4.023 -1.300 25 HB2 PRO 6 HB2 PRO 6 4.396 -6.450 -0.708 26 HB3 PRO 6 HB1 PRO 6 5.228 -5.156 -1.593 27 HG2 PRO 6 HG2 PRO 6 5.450 -5.941 1.269 28 HG3 PRO 6 HG1 PRO 6 6.707 -5.410 0.139 29 HD2 PRO 6 HD2 PRO 6 5.627 -3.758 2.028 30 HD3 PRO 6 HD1 PRO 6 6.263 -3.169 0.476 31 H ARG 7 H ARG 7 3.082 -4.755 2.097 32 HA ARG 7 HA ARG 7 1.154 -6.886 1.869 33 HB2 ARG 7 HB2 ARG 7 1.961 -5.200 4.253 34 HB3 ARG 7 HB1 ARG 7 1.000 -6.676 4.321 35 HG2 ARG 7 HG2 ARG 7 3.710 -6.684 3.008 36 HG3 ARG 7 HG1 ARG 7 3.569 -6.834 4.758 37 HD2 ARG 7 HD2 ARG 7 2.029 -8.776 4.421 38 HD3 ARG 7 HD1 ARG 7 2.311 -8.662 2.688 39 HE ARG 7 HE ARG 7 4.806 -8.837 3.974 40 HH11 ARG 7 1HH2 ARG 7 1.930 -10.673 3.395 41 HH12 ARG 7 2HH2 ARG 7 2.735 -12.206 3.430 42 HH21 ARG 7 1HH1 ARG 7 5.868 -10.846 4.022 43 HH22 ARG 7 2HH1 ARG 7 4.964 -12.305 3.785 44 H CYS 8 H CYS 8 0.938 -3.583 1.446 45 HA CYS 8 HA CYS 8 -1.442 -2.883 2.749 46 HB2 CYS 8 HB2 CYS 8 0.239 -1.416 1.446 47 HB3 CYS 8 HB1 CYS 8 -0.696 -1.852 0.025 48 H ARG 9 H ARG 9 -3.582 -2.974 2.196 49 HA ARG 9 HA ARG 9 -4.480 -5.192 0.714 50 HB2 ARG 9 HB2 ARG 9 -5.915 -2.714 1.673 51 HB3 ARG 9 HB1 ARG 9 -6.732 -4.081 0.918 52 HG2 ARG 9 HG2 ARG 9 -5.876 -5.582 2.660 53 HG3 ARG 9 HG1 ARG 9 -5.004 -4.241 3.403 54 HD2 ARG 9 HD2 ARG 9 -7.143 -3.065 3.779 55 HD3 ARG 9 HD1 ARG 9 -8.009 -4.417 3.058 56 HE ARG 9 HE ARG 9 -6.809 -4.338 5.702 57 HH11 ARG 9 1HH2 ARG 9 -8.033 -6.248 3.091 58 HH12 ARG 9 2HH2 ARG 9 -8.373 -7.630 4.078 59 HH21 ARG 9 1HH1 ARG 9 -7.256 -6.145 7.005 60 HH22 ARG 9 2HH1 ARG 9 -7.933 -7.572 6.294 61 H TYR 10 H TYR 10 -4.166 -1.760 -0.137 62 HA TYR 10 HA TYR 10 -4.410 -2.511 -2.971 63 HB2 TYR 10 HB2 TYR 10 -5.995 -0.772 -3.441 64 HB3 TYR 10 HB1 TYR 10 -6.645 -1.703 -2.090 65 HD1 TYR 10 HD1 TYR 10 -6.102 -0.846 0.303 66 HD2 TYR 10 HD2 TYR 10 -5.683 1.543 -3.238 67 HE1 TYR 10 HE1 TYR 10 -6.166 1.209 1.686 68 HE2 TYR 10 HE2 TYR 10 -5.740 3.602 -1.856 69 HH TYR 10 HH TYR 10 -5.295 4.269 0.465 70 H ARG 11 H ARG 11 -3.515 -0.910 -4.424 71 HA ARG 11 HA ARG 11 -1.204 0.421 -3.267 72 HB2 ARG 11 HB2 ARG 11 -2.123 0.192 -6.142 73 HB3 ARG 11 HB1 ARG 11 -0.571 0.839 -5.608 74 HG2 ARG 11 HG2 ARG 11 0.066 -1.296 -4.660 75 HG3 ARG 11 HG1 ARG 11 -1.541 -1.959 -4.965 76 HD2 ARG 11 HD2 ARG 11 0.356 -0.985 -7.118 77 HD3 ARG 11 HD1 ARG 11 0.124 -2.673 -6.675 78 HE ARG 11 HE ARG 11 -2.401 -1.637 -7.253 79 HH11 ARG 11 1HH2 ARG 11 0.641 -2.162 -8.816 80 HH12 ARG 11 2HH2 ARG 11 -0.050 -2.393 -10.389 81 HH21 ARG 11 1HH1 ARG 11 -3.314 -1.936 -9.312 82 HH22 ARG 11 2HH1 ARG 11 -2.289 -2.264 -10.669 83 H ABA 12 H ABA 12 -0.678 2.641 -3.655 84 HA ABA 12 HA ABA 12 -2.999 4.380 -4.211 85 HB3 ABA 12 HB1 ABA 12 -2.476 5.798 -2.406 86 HB2 ABA 12 HB2 ABA 12 -0.912 5.051 -2.145 87 HG1 ABA 12 HG ABA 12 -3.637 3.951 -1.369 88 H ARG 13 H ARG 13 -1.838 6.808 -4.072 89 HA ARG 13 HA ARG 13 -0.112 6.792 -6.423 90 HB2 ARG 13 HB2 ARG 13 -0.987 9.269 -4.967 91 HB3 ARG 13 HB1 ARG 13 -0.671 9.043 -6.689 92 HG2 ARG 13 HG2 ARG 13 -3.011 7.901 -5.134 93 HG3 ARG 13 HG1 ARG 13 -3.077 9.202 -6.322 94 HD2 ARG 13 HD2 ARG 13 -2.120 7.572 -8.009 95 HD3 ARG 13 HD1 ARG 13 -2.369 6.303 -6.813 96 HE ARG 13 HE ARG 13 -4.767 7.795 -7.222 97 HH11 ARG 13 1HH2 ARG 13 -2.685 5.405 -8.611 98 HH12 ARG 13 2HH2 ARG 13 -3.944 4.634 -9.516 99 HH21 ARG 13 1HH1 ARG 13 -6.425 6.789 -8.406 100 HH22 ARG 13 2HH1 ARG 13 -6.062 5.417 -9.400 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 2.322 6.527 3.230 2 H2 GLY 1 HT2 GLY 1 0.874 6.886 2.417 3 H3 GLY 1 HT3 GLY 1 1.714 5.450 2.070 4 HA2 GLY 1 HA2 GLY 1 1.078 5.686 4.851 5 HA3 GLY 1 HA1 GLY 1 -0.354 5.700 3.821 6 H CYS 2 H CYS 2 -1.165 3.685 3.904 7 HA CYS 2 HA CYS 2 0.304 1.319 4.319 8 HB2 CYS 2 HB2 CYS 2 -2.103 1.440 4.721 9 HB3 CYS 2 HB1 CYS 2 -2.396 1.708 3.002 10 H ABA 3 H ABA 3 -1.024 2.712 1.347 11 HA ABA 3 HA ABA 3 -0.413 0.868 -0.534 12 HB3 ABA 3 HB1 ABA 3 -0.065 2.670 -2.119 13 HB2 ABA 3 HB2 ABA 3 0.238 3.804 -0.798 14 HG1 ABA 3 HG ABA 3 -2.333 2.638 -0.277 15 H SER 4 H SER 4 1.880 2.747 1.309 16 HA SER 4 HA SER 4 4.167 2.403 -0.296 17 HB2 SER 4 HB2 SER 4 4.084 3.980 1.585 18 HB3 SER 4 HB1 SER 4 3.971 2.633 2.715 19 HG SER 4 HG SER 4 6.034 2.259 2.472 20 H ASP 5 H ASP 5 2.829 0.425 2.333 21 HA ASP 5 HA ASP 5 4.920 -1.471 2.315 22 HB2 ASP 5 HB2 ASP 5 2.084 -1.654 3.326 23 HB3 ASP 5 HB1 ASP 5 3.312 -2.888 3.609 24 HA PRO 6 HA PRO 6 3.826 -3.861 -1.288 25 HB2 PRO 6 HB2 PRO 6 5.059 -6.228 -0.640 26 HB3 PRO 6 HB1 PRO 6 5.931 -4.790 -1.212 27 HG2 PRO 6 HG2 PRO 6 5.603 -5.839 1.554 28 HG3 PRO 6 HG1 PRO 6 7.010 -5.081 0.791 29 HD2 PRO 6 HD2 PRO 6 5.346 -3.758 2.505 30 HD3 PRO 6 HD1 PRO 6 6.269 -2.951 1.212 31 H ARG 7 H ARG 7 3.094 -5.003 1.937 32 HA ARG 7 HA ARG 7 1.252 -7.044 0.957 33 HB2 ARG 7 HB2 ARG 7 2.077 -6.200 3.740 34 HB3 ARG 7 HB1 ARG 7 0.902 -7.473 3.404 35 HG2 ARG 7 HG2 ARG 7 2.581 -8.719 2.127 36 HG3 ARG 7 HG1 ARG 7 3.760 -7.432 2.391 37 HD2 ARG 7 HD2 ARG 7 3.569 -7.791 4.839 38 HD3 ARG 7 HD1 ARG 7 2.453 -9.120 4.540 39 HE ARG 7 HE ARG 7 5.328 -9.143 4.122 40 HH11 ARG 7 1HH2 ARG 7 2.246 -10.580 3.493 41 HH12 ARG 7 2HH2 ARG 7 2.896 -12.135 3.094 42 HH21 ARG 7 1HH1 ARG 7 6.191 -11.181 3.603 43 HH22 ARG 7 2HH1 ARG 7 5.130 -12.476 3.157 44 H CYS 8 H CYS 8 1.036 -3.845 1.070 45 HA CYS 8 HA CYS 8 -1.215 -3.188 2.606 46 HB2 CYS 8 HB2 CYS 8 0.334 -1.586 1.410 47 HB3 CYS 8 HB1 CYS 8 -0.528 -1.985 -0.077 48 H ARG 9 H ARG 9 -3.365 -3.311 2.279 49 HA ARG 9 HA ARG 9 -4.420 -5.293 0.584 50 HB2 ARG 9 HB2 ARG 9 -5.751 -3.013 2.063 51 HB3 ARG 9 HB1 ARG 9 -6.644 -4.271 1.207 52 HG2 ARG 9 HG2 ARG 9 -4.537 -5.105 3.164 53 HG3 ARG 9 HG1 ARG 9 -6.087 -4.539 3.789 54 HD2 ARG 9 HD2 ARG 9 -7.261 -6.201 2.396 55 HD3 ARG 9 HD1 ARG 9 -5.721 -6.765 1.760 56 HE ARG 9 HE ARG 9 -5.334 -7.877 3.775 57 HH11 ARG 9 1HH2 ARG 9 -8.037 -5.726 3.981 58 HH12 ARG 9 2HH2 ARG 9 -8.574 -6.326 5.514 59 HH21 ARG 9 1HH1 ARG 9 -6.034 -8.670 5.786 60 HH22 ARG 9 2HH1 ARG 9 -7.441 -7.993 6.535 61 H TYR 10 H TYR 10 -4.170 -1.784 0.223 62 HA TYR 10 HA TYR 10 -5.018 -2.082 -2.597 63 HB2 TYR 10 HB2 TYR 10 -6.086 0.125 -2.456 64 HB3 TYR 10 HB1 TYR 10 -6.810 -1.000 -1.307 65 HD1 TYR 10 HD1 TYR 10 -6.245 -0.866 1.111 66 HD2 TYR 10 HD2 TYR 10 -4.816 2.037 -1.714 67 HE1 TYR 10 HE1 TYR 10 -5.678 0.669 2.975 68 HE2 TYR 10 HE2 TYR 10 -4.249 3.572 0.151 69 HH TYR 10 HH TYR 10 -4.062 3.777 2.368 70 H ARG 11 H ARG 11 -4.046 -0.631 -4.092 71 HA ARG 11 HA ARG 11 -1.403 0.297 -3.213 72 HB2 ARG 11 HB2 ARG 11 -2.568 -0.626 -5.792 73 HB3 ARG 11 HB1 ARG 11 -1.301 0.599 -5.878 74 HG2 ARG 11 HG2 ARG 11 -0.290 -1.635 -5.972 75 HG3 ARG 11 HG1 ARG 11 0.155 -0.847 -4.460 76 HD2 ARG 11 HD2 ARG 11 -1.637 -2.063 -3.288 77 HD3 ARG 11 HD1 ARG 11 -2.111 -2.833 -4.798 78 HE ARG 11 HE ARG 11 -0.292 -4.269 -4.576 79 HH11 ARG 11 1HH2 ARG 11 -0.040 -1.570 -2.425 80 HH12 ARG 11 2HH2 ARG 11 1.314 -2.212 -1.557 81 HH21 ARG 11 1HH1 ARG 11 1.485 -5.117 -3.442 82 HH22 ARG 11 2HH1 ARG 11 2.178 -4.220 -2.133 83 H ABA 12 H ABA 12 -0.612 2.378 -3.877 84 HA ABA 12 HA ABA 12 -2.694 4.345 -4.585 85 HB3 ABA 12 HB1 ABA 12 -1.949 5.874 -2.913 86 HB2 ABA 12 HB2 ABA 12 -0.551 4.907 -2.551 87 HG1 ABA 12 HG ABA 12 -3.414 4.299 -1.719 88 H ARG 13 H ARG 13 -1.994 6.108 -5.796 89 HA ARG 13 HA ARG 13 0.398 5.639 -7.353 90 HB2 ARG 13 HB2 ARG 13 -1.271 8.131 -7.534 91 HB3 ARG 13 HB1 ARG 13 -0.414 7.269 -8.815 92 HG2 ARG 13 HG2 ARG 13 -2.896 6.302 -7.361 93 HG3 ARG 13 HG1 ARG 13 -2.819 6.869 -9.029 94 HD2 ARG 13 HD2 ARG 13 -1.144 5.025 -9.477 95 HD3 ARG 13 HD1 ARG 13 -1.512 4.398 -7.873 96 HE ARG 13 HE ARG 13 -3.905 4.773 -9.375 97 HH11 ARG 13 1HH2 ARG 13 -1.110 2.761 -9.033 98 HH12 ARG 13 2HH2 ARG 13 -1.889 1.339 -9.641 99 HH21 ARG 13 1HH1 ARG 13 -4.933 2.913 -10.174 100 HH22 ARG 13 2HH1 ARG 13 -4.054 1.425 -10.287 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 2.439 4.941 3.394 2 H2 GLY 1 HT2 GLY 1 2.928 6.056 4.579 3 H3 GLY 1 HT3 GLY 1 1.279 5.712 4.360 4 HA2 GLY 1 HA2 GLY 1 3.341 4.174 5.739 5 HA3 GLY 1 HA1 GLY 1 1.637 4.387 6.144 6 H CYS 2 H CYS 2 0.062 3.107 5.100 7 HA CYS 2 HA CYS 2 0.846 0.449 4.502 8 HB2 CYS 2 HB2 CYS 2 -1.428 1.233 5.336 9 HB3 CYS 2 HB1 CYS 2 -1.752 1.770 3.689 10 H ABA 3 H ABA 3 -0.183 3.165 2.504 11 HA ABA 3 HA ABA 3 -0.253 2.066 -0.006 12 HB3 ABA 3 HB1 ABA 3 0.874 4.399 -0.632 13 HB2 ABA 3 HB2 ABA 3 0.498 4.746 1.053 14 HG1 ABA 3 HG ABA 3 -1.860 4.639 0.633 15 H SER 4 H SER 4 2.627 3.321 1.657 16 HA SER 4 HA SER 4 4.476 2.728 -0.385 17 HB2 SER 4 HB2 SER 4 4.847 2.934 2.609 18 HB3 SER 4 HB1 SER 4 6.173 2.809 1.457 19 HG SER 4 HG SER 4 4.271 4.867 1.798 20 H ASP 5 H ASP 5 3.321 0.810 2.361 21 HA ASP 5 HA ASP 5 5.091 -1.353 1.903 22 HB2 ASP 5 HB2 ASP 5 2.518 -1.220 3.467 23 HB3 ASP 5 HB1 ASP 5 3.627 -2.595 3.478 24 HA PRO 6 HA PRO 6 2.830 -3.209 -1.526 25 HB2 PRO 6 HB2 PRO 6 4.076 -5.646 -1.577 26 HB3 PRO 6 HB1 PRO 6 4.828 -4.156 -2.186 27 HG2 PRO 6 HG2 PRO 6 5.244 -5.576 0.395 28 HG3 PRO 6 HG1 PRO 6 6.419 -4.762 -0.653 29 HD2 PRO 6 HD2 PRO 6 5.414 -3.637 1.625 30 HD3 PRO 6 HD1 PRO 6 5.993 -2.694 0.232 31 H ARG 7 H ARG 7 2.930 -4.505 1.670 32 HA ARG 7 HA ARG 7 1.179 -6.711 1.280 33 HB2 ARG 7 HB2 ARG 7 1.927 -5.128 3.749 34 HB3 ARG 7 HB1 ARG 7 0.927 -6.579 3.781 35 HG2 ARG 7 HG2 ARG 7 3.544 -6.713 2.343 36 HG3 ARG 7 HG1 ARG 7 3.566 -6.733 4.107 37 HD2 ARG 7 HD2 ARG 7 1.926 -8.610 2.373 38 HD3 ARG 7 HD1 ARG 7 3.461 -9.024 3.128 39 HE ARG 7 HE ARG 7 1.821 -8.096 5.168 40 HH11 ARG 7 1HH2 ARG 7 1.838 -10.617 2.798 41 HH12 ARG 7 2HH2 ARG 7 0.930 -11.727 3.769 42 HH21 ARG 7 1HH1 ARG 7 0.629 -9.546 6.449 43 HH22 ARG 7 2HH1 ARG 7 0.246 -11.120 5.836 44 H CYS 8 H CYS 8 0.684 -3.320 1.412 45 HA CYS 8 HA CYS 8 -1.771 -2.985 2.614 46 HB2 CYS 8 HB2 CYS 8 -0.175 -1.388 1.134 47 HB3 CYS 8 HB1 CYS 8 -1.476 -1.668 -0.027 48 H ARG 9 H ARG 9 -3.903 -3.227 2.049 49 HA ARG 9 HA ARG 9 -4.603 -5.470 0.504 50 HB2 ARG 9 HB2 ARG 9 -6.251 -3.169 1.560 51 HB3 ARG 9 HB1 ARG 9 -6.953 -4.567 0.744 52 HG2 ARG 9 HG2 ARG 9 -5.983 -6.070 2.414 53 HG3 ARG 9 HG1 ARG 9 -5.193 -4.707 3.208 54 HD2 ARG 9 HD2 ARG 9 -7.377 -3.710 3.711 55 HD3 ARG 9 HD1 ARG 9 -8.189 -5.027 2.871 56 HE ARG 9 HE ARG 9 -7.789 -6.396 4.718 57 HH11 ARG 9 1HH2 ARG 9 -5.981 -3.452 4.890 58 HH12 ARG 9 2HH2 ARG 9 -5.472 -3.697 6.528 59 HH21 ARG 9 1HH1 ARG 9 -7.128 -6.725 6.866 60 HH22 ARG 9 2HH1 ARG 9 -6.122 -5.550 7.646 61 H TYR 10 H TYR 10 -4.525 -2.028 -0.257 62 HA TYR 10 HA TYR 10 -5.048 -2.720 -3.088 63 HB2 TYR 10 HB2 TYR 10 -6.238 -0.605 -3.334 64 HB3 TYR 10 HB1 TYR 10 -7.003 -1.583 -2.080 65 HD1 TYR 10 HD1 TYR 10 -6.637 -1.056 0.323 66 HD2 TYR 10 HD2 TYR 10 -5.110 1.465 -2.801 67 HE1 TYR 10 HE1 TYR 10 -6.297 0.772 1.963 68 HE2 TYR 10 HE2 TYR 10 -4.767 3.291 -1.162 69 HH TYR 10 HH TYR 10 -5.579 2.841 2.285 70 H ARG 11 H ARG 11 -3.959 -1.472 -4.638 71 HA ARG 11 HA ARG 11 -1.354 -0.597 -3.827 72 HB2 ARG 11 HB2 ARG 11 -2.803 -0.540 -6.480 73 HB3 ARG 11 HB1 ARG 11 -1.145 0.022 -6.269 74 HG2 ARG 11 HG2 ARG 11 -0.545 -2.219 -5.344 75 HG3 ARG 11 HG1 ARG 11 -2.184 -2.769 -5.700 76 HD2 ARG 11 HD2 ARG 11 -0.286 -1.636 -7.767 77 HD3 ARG 11 HD1 ARG 11 -0.516 -3.349 -7.484 78 HE ARG 11 HE ARG 11 -2.741 -3.168 -8.349 79 HH11 ARG 11 1HH2 ARG 11 -0.940 -0.209 -8.422 80 HH12 ARG 11 2HH2 ARG 11 -1.986 0.554 -9.564 81 HH21 ARG 11 1HH1 ARG 11 -4.115 -2.165 -9.847 82 HH22 ARG 11 2HH1 ARG 11 -3.784 -0.547 -10.370 83 H ABA 12 H ABA 12 -0.534 1.454 -3.710 84 HA ABA 12 HA ABA 12 -2.523 3.608 -3.603 85 HB3 ABA 12 HB1 ABA 12 -0.052 4.593 -2.746 86 HB2 ABA 12 HB2 ABA 12 -0.100 2.940 -2.147 87 HG1 ABA 12 HG ABA 12 -2.661 4.347 -1.625 88 H ARG 13 H ARG 13 -1.707 5.797 -4.313 89 HA ARG 13 HA ARG 13 -0.822 5.584 -7.056 90 HB2 ARG 13 HB2 ARG 13 -2.504 7.299 -5.786 91 HB3 ARG 13 HB1 ARG 13 -1.028 8.266 -5.823 92 HG2 ARG 13 HG2 ARG 13 -2.314 6.933 -8.228 93 HG3 ARG 13 HG1 ARG 13 -2.390 8.651 -7.841 94 HD2 ARG 13 HD2 ARG 13 0.220 8.497 -7.789 95 HD3 ARG 13 HD1 ARG 13 -0.022 7.025 -8.723 96 HE ARG 13 HE ARG 13 -1.532 9.092 -9.905 97 HH11 ARG 13 1HH2 ARG 13 1.741 8.133 -9.313 98 HH12 ARG 13 2HH2 ARG 13 2.371 8.916 -10.724 99 HH21 ARG 13 1HH1 ARG 13 -0.713 10.121 -11.757 100 HH22 ARG 13 2HH1 ARG 13 0.982 10.042 -12.107 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 -0.777 4.423 4.541 2 H2 GLY 1 HT2 GLY 1 -0.476 5.701 5.619 3 H3 GLY 1 HT3 GLY 1 -0.962 4.185 6.210 4 HA2 GLY 1 HA2 GLY 1 1.648 5.008 5.124 5 HA3 GLY 1 HA1 GLY 1 1.291 4.135 6.615 6 H CYS 2 H CYS 2 -0.754 2.565 4.920 7 HA CYS 2 HA CYS 2 0.864 0.284 4.461 8 HB2 CYS 2 HB2 CYS 2 -1.108 -0.778 3.738 9 HB3 CYS 2 HB1 CYS 2 -1.689 0.436 4.872 10 H ABA 3 H ABA 3 -0.261 2.902 2.423 11 HA ABA 3 HA ABA 3 0.170 1.867 -0.105 12 HB3 ABA 3 HB1 ABA 3 0.817 4.326 -0.656 13 HB2 ABA 3 HB2 ABA 3 0.448 4.645 1.022 14 HG1 ABA 3 HG ABA 3 -1.906 4.162 0.659 15 H SER 4 H SER 4 2.484 2.982 2.265 16 HA SER 4 HA SER 4 4.738 3.250 0.598 17 HB2 SER 4 HB2 SER 4 4.524 2.486 3.516 18 HB3 SER 4 HB1 SER 4 6.040 2.864 2.703 19 HG SER 4 HG SER 4 5.538 4.848 3.175 20 H ASP 5 H ASP 5 3.353 0.449 2.264 21 HA ASP 5 HA ASP 5 5.365 -1.255 0.971 22 HB2 ASP 5 HB2 ASP 5 3.612 -1.730 3.383 23 HB3 ASP 5 HB1 ASP 5 4.620 -2.972 2.648 24 HA PRO 6 HA PRO 6 2.258 -2.920 -1.736 25 HB2 PRO 6 HB2 PRO 6 3.304 -5.425 -2.172 26 HB3 PRO 6 HB1 PRO 6 3.923 -3.948 -2.939 27 HG2 PRO 6 HG2 PRO 6 4.980 -5.466 -0.610 28 HG3 PRO 6 HG1 PRO 6 5.851 -4.633 -1.909 29 HD2 PRO 6 HD2 PRO 6 5.551 -3.582 0.592 30 HD3 PRO 6 HD1 PRO 6 5.730 -2.586 -0.870 31 H ARG 7 H ARG 7 2.907 -4.191 1.346 32 HA ARG 7 HA ARG 7 1.225 -6.456 1.389 33 HB2 ARG 7 HB2 ARG 7 2.154 -4.572 3.563 34 HB3 ARG 7 HB1 ARG 7 1.184 -6.010 3.888 35 HG2 ARG 7 HG2 ARG 7 3.636 -6.319 2.203 36 HG3 ARG 7 HG1 ARG 7 3.843 -6.117 3.943 37 HD2 ARG 7 HD2 ARG 7 2.035 -8.188 2.661 38 HD3 ARG 7 HD1 ARG 7 3.661 -8.516 3.249 39 HE ARG 7 HE ARG 7 2.296 -7.350 5.368 40 HH11 ARG 7 1HH2 ARG 7 2.012 -10.125 3.320 41 HH12 ARG 7 2HH2 ARG 7 1.248 -11.107 4.524 42 HH21 ARG 7 1HH1 ARG 7 1.295 -8.634 6.953 43 HH22 ARG 7 2HH1 ARG 7 0.842 -10.263 6.581 44 H CYS 8 H CYS 8 0.570 -3.055 1.426 45 HA CYS 8 HA CYS 8 -1.832 -2.820 2.751 46 HB2 CYS 8 HB2 CYS 8 -0.551 -1.003 1.524 47 HB3 CYS 8 HB1 CYS 8 -1.325 -1.574 0.049 48 H ARG 9 H ARG 9 -4.021 -3.009 2.155 49 HA ARG 9 HA ARG 9 -4.729 -5.354 0.773 50 HB2 ARG 9 HB2 ARG 9 -6.361 -2.943 1.588 51 HB3 ARG 9 HB1 ARG 9 -7.066 -4.398 0.885 52 HG2 ARG 9 HG2 ARG 9 -6.191 -5.759 2.706 53 HG3 ARG 9 HG1 ARG 9 -5.347 -4.365 3.382 54 HD2 ARG 9 HD2 ARG 9 -7.452 -4.764 4.588 55 HD3 ARG 9 HD1 ARG 9 -7.511 -3.226 3.731 56 HE ARG 9 HE ARG 9 -9.161 -4.113 2.338 57 HH11 ARG 9 1HH2 ARG 9 -7.643 -6.565 4.250 58 HH12 ARG 9 2HH2 ARG 9 -8.788 -7.794 3.832 59 HH21 ARG 9 1HH1 ARG 9 -10.668 -5.720 1.785 60 HH22 ARG 9 2HH1 ARG 9 -10.501 -7.317 2.436 61 H TYR 10 H TYR 10 -4.564 -1.983 -0.258 62 HA TYR 10 HA TYR 10 -5.023 -2.886 -3.041 63 HB2 TYR 10 HB2 TYR 10 -6.223 -0.835 -3.506 64 HB3 TYR 10 HB1 TYR 10 -6.989 -1.642 -2.137 65 HD1 TYR 10 HD2 TYR 10 -6.520 -0.853 0.200 66 HD2 TYR 10 HD1 TYR 10 -5.178 1.305 -3.264 67 HE1 TYR 10 HE2 TYR 10 -6.150 1.162 1.598 68 HE2 TYR 10 HE1 TYR 10 -4.809 3.320 -1.865 69 HH TYR 10 HH TYR 10 -4.317 3.712 0.696 70 H ARG 11 H ARG 11 -3.936 -1.657 -4.671 71 HA ARG 11 HA ARG 11 -1.312 -0.819 -3.876 72 HB2 ARG 11 HB2 ARG 11 -1.736 -2.006 -6.005 73 HB3 ARG 11 HB1 ARG 11 -2.665 -0.620 -6.577 74 HG2 ARG 11 HG2 ARG 11 -0.699 0.816 -6.411 75 HG3 ARG 11 HG1 ARG 11 0.241 -0.508 -5.723 76 HD2 ARG 11 HD2 ARG 11 -0.032 -1.801 -7.791 77 HD3 ARG 11 HD1 ARG 11 -1.019 -0.515 -8.480 78 HE ARG 11 HE ARG 11 1.426 0.620 -7.718 79 HH11 ARG 11 1HH2 ARG 11 0.171 -1.752 -9.903 80 HH12 ARG 11 2HH2 ARG 11 1.407 -1.511 -11.092 81 HH21 ARG 11 1HH1 ARG 11 3.050 0.941 -9.274 82 HH22 ARG 11 2HH1 ARG 11 3.037 0.013 -10.736 83 H ABA 12 H ABA 12 -0.532 1.192 -3.600 84 HA ABA 12 HA ABA 12 -2.444 3.410 -3.694 85 HB3 ABA 12 HB1 ABA 12 -0.133 4.474 -2.716 86 HB2 ABA 12 HB2 ABA 12 0.018 2.790 -2.211 87 HG1 ABA 12 HG ABA 12 -2.686 3.818 -1.627 88 H ARG 13 H ARG 13 -1.093 5.598 -4.178 89 HA ARG 13 HA ARG 13 -0.349 5.344 -6.986 90 HB2 ARG 13 HB2 ARG 13 -0.365 7.936 -5.471 91 HB3 ARG 13 HB1 ARG 13 -0.758 7.630 -7.165 92 HG2 ARG 13 HG2 ARG 13 -2.426 6.811 -4.769 93 HG3 ARG 13 HG1 ARG 13 -2.819 8.082 -5.925 94 HD2 ARG 13 HD2 ARG 13 -2.618 5.110 -6.478 95 HD3 ARG 13 HD1 ARG 13 -4.067 6.105 -6.547 96 HE ARG 13 HE ARG 13 -2.281 7.248 -8.336 97 HH11 ARG 13 1HH2 ARG 13 -3.829 4.194 -7.834 98 HH12 ARG 13 2HH2 ARG 13 -3.873 3.784 -9.516 99 HH21 ARG 13 1HH1 ARG 13 -2.335 6.718 -10.543 100 HH22 ARG 13 2HH1 ARG 13 -3.027 5.212 -11.050 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 0.932 4.342 6.944 2 H2 GLY 1 HT2 GLY 1 0.226 4.537 5.410 3 H3 GLY 1 HT3 GLY 1 1.139 5.796 6.094 4 HA2 GLY 1 HA2 GLY 1 2.651 4.916 4.630 5 HA3 GLY 1 HA1 GLY 1 3.037 4.053 6.119 6 H CYS 2 H CYS 2 0.002 3.129 5.079 7 HA CYS 2 HA CYS 2 0.776 0.470 4.509 8 HB2 CYS 2 HB2 CYS 2 -1.508 1.264 5.292 9 HB3 CYS 2 HB1 CYS 2 -1.793 1.799 3.637 10 H ABA 3 H ABA 3 -0.192 3.178 2.455 11 HA ABA 3 HA ABA 3 -0.204 2.021 -0.037 12 HB3 ABA 3 HB1 ABA 3 0.887 4.370 -0.680 13 HB2 ABA 3 HB2 ABA 3 0.489 4.730 0.996 14 HG1 ABA 3 HG ABA 3 -1.858 4.565 0.574 15 H SER 4 H SER 4 2.593 3.274 1.742 16 HA SER 4 HA SER 4 4.529 2.757 -0.232 17 HB2 SER 4 HB2 SER 4 4.980 4.174 1.721 18 HB3 SER 4 HB1 SER 4 4.827 2.778 2.782 19 HG SER 4 HG SER 4 6.629 1.884 1.824 20 H ASP 5 H ASP 5 3.322 0.759 2.452 21 HA ASP 5 HA ASP 5 5.112 -1.394 1.934 22 HB2 ASP 5 HB2 ASP 5 2.522 -1.320 3.488 23 HB3 ASP 5 HB1 ASP 5 3.654 -2.676 3.475 24 HA PRO 6 HA PRO 6 2.856 -3.116 -1.539 25 HB2 PRO 6 HB2 PRO 6 4.065 -5.561 -1.671 26 HB3 PRO 6 HB1 PRO 6 4.830 -4.062 -2.237 27 HG2 PRO 6 HG2 PRO 6 5.249 -5.561 0.298 28 HG3 PRO 6 HG1 PRO 6 6.422 -4.725 -0.733 29 HD2 PRO 6 HD2 PRO 6 5.432 -3.656 1.595 30 HD3 PRO 6 HD1 PRO 6 6.014 -2.673 0.232 31 H ARG 7 H ARG 7 2.944 -4.530 1.605 32 HA ARG 7 HA ARG 7 1.159 -6.707 1.144 33 HB2 ARG 7 HB2 ARG 7 1.940 -5.216 3.657 34 HB3 ARG 7 HB1 ARG 7 0.901 -6.641 3.648 35 HG2 ARG 7 HG2 ARG 7 2.676 -7.954 2.572 36 HG3 ARG 7 HG1 ARG 7 3.717 -6.531 2.529 37 HD2 ARG 7 HD2 ARG 7 3.670 -6.412 4.986 38 HD3 ARG 7 HD1 ARG 7 2.611 -7.818 5.043 39 HE ARG 7 HE ARG 7 4.924 -8.510 3.592 40 HH11 ARG 7 1HH2 ARG 7 3.917 -7.608 6.778 41 HH12 ARG 7 2HH2 ARG 7 5.164 -8.507 7.577 42 HH21 ARG 7 1HH1 ARG 7 6.562 -9.692 4.632 43 HH22 ARG 7 2HH1 ARG 7 6.661 -9.687 6.362 44 H CYS 8 H CYS 8 0.708 -3.316 1.396 45 HA CYS 8 HA CYS 8 -1.716 -2.966 2.612 46 HB2 CYS 8 HB2 CYS 8 -0.146 -1.366 1.145 47 HB3 CYS 8 HB1 CYS 8 -1.409 -1.665 -0.049 48 H ARG 9 H ARG 9 -3.862 -3.184 2.096 49 HA ARG 9 HA ARG 9 -4.626 -5.426 0.587 50 HB2 ARG 9 HB2 ARG 9 -6.201 -3.075 1.645 51 HB3 ARG 9 HB1 ARG 9 -6.955 -4.447 0.836 52 HG2 ARG 9 HG2 ARG 9 -5.040 -5.014 3.059 53 HG3 ARG 9 HG1 ARG 9 -6.645 -4.416 3.481 54 HD2 ARG 9 HD2 ARG 9 -6.135 -6.800 1.675 55 HD3 ARG 9 HD1 ARG 9 -6.510 -6.917 3.392 56 HE ARG 9 HE ARG 9 -8.520 -5.364 2.264 57 HH11 ARG 9 1HH2 ARG 9 -7.200 -8.544 1.921 58 HH12 ARG 9 2HH2 ARG 9 -8.697 -9.262 1.428 59 HH21 ARG 9 1HH1 ARG 9 -10.486 -6.298 1.617 60 HH22 ARG 9 2HH1 ARG 9 -10.557 -7.990 1.255 61 H TYR 10 H TYR 10 -4.542 -1.991 -0.227 62 HA TYR 10 HA TYR 10 -5.093 -2.725 -3.041 63 HB2 TYR 10 HB2 TYR 10 -6.300 -0.636 -3.313 64 HB3 TYR 10 HB1 TYR 10 -7.023 -1.555 -1.994 65 HD1 TYR 10 HD2 TYR 10 -6.531 -0.945 0.379 66 HD2 TYR 10 HD1 TYR 10 -5.205 1.468 -2.918 67 HE1 TYR 10 HE2 TYR 10 -6.129 0.950 1.926 68 HE2 TYR 10 HE1 TYR 10 -4.800 3.362 -1.369 69 HH TYR 10 HH TYR 10 -5.121 4.130 0.715 70 H ARG 11 H ARG 11 -4.021 -1.491 -4.623 71 HA ARG 11 HA ARG 11 -1.391 -0.640 -3.862 72 HB2 ARG 11 HB2 ARG 11 -2.867 -0.541 -6.500 73 HB3 ARG 11 HB1 ARG 11 -1.177 -0.080 -6.297 74 HG2 ARG 11 HG2 ARG 11 -0.679 -2.342 -5.411 75 HG3 ARG 11 HG1 ARG 11 -2.363 -2.800 -5.671 76 HD2 ARG 11 HD2 ARG 11 -2.122 -2.350 -8.081 77 HD3 ARG 11 HD1 ARG 11 -0.443 -1.878 -7.828 78 HE ARG 11 HE ARG 11 0.118 -4.134 -7.618 79 HH11 ARG 11 1HH2 ARG 11 -3.308 -3.647 -7.546 80 HH12 ARG 11 2HH2 ARG 11 -3.689 -5.331 -7.676 81 HH21 ARG 11 1HH1 ARG 11 -0.375 -6.346 -7.790 82 HH22 ARG 11 2HH1 ARG 11 -2.030 -6.859 -7.814 83 H ABA 12 H ABA 12 -0.545 1.397 -3.757 84 HA ABA 12 HA ABA 12 -2.498 3.595 -3.675 85 HB3 ABA 12 HB1 ABA 12 -0.047 4.558 -2.789 86 HB2 ABA 12 HB2 ABA 12 -0.080 2.897 -2.203 87 HG1 ABA 12 HG ABA 12 -2.650 4.271 -1.678 88 H ARG 13 H ARG 13 -0.708 2.252 -5.968 89 HA ARG 13 HA ARG 13 0.432 4.746 -7.026 90 HB2 ARG 13 HB2 ARG 13 1.061 1.904 -7.287 91 HB3 ARG 13 HB1 ARG 13 0.998 2.721 -8.841 92 HG2 ARG 13 HG2 ARG 13 2.520 3.910 -6.530 93 HG3 ARG 13 HG1 ARG 13 3.237 2.687 -7.575 94 HD2 ARG 13 HD2 ARG 13 2.712 4.111 -9.551 95 HD3 ARG 13 HD1 ARG 13 2.123 5.360 -8.460 96 HE ARG 13 HE ARG 13 4.898 4.578 -8.879 97 HH11 ARG 13 1HH2 ARG 13 2.552 6.295 -7.003 98 HH12 ARG 13 2HH2 ARG 13 3.705 7.378 -6.301 99 HH21 ARG 13 1HH1 ARG 13 6.416 6.002 -7.967 100 HH22 ARG 13 2HH1 ARG 13 5.891 7.212 -6.844 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 1.900 5.244 5.464 2 H2 GLY 1 HT2 GLY 1 0.512 6.143 5.854 3 H3 GLY 1 HT3 GLY 1 1.781 6.865 4.984 4 HA2 GLY 1 HA2 GLY 1 -0.436 5.818 3.874 5 HA3 GLY 1 HA1 GLY 1 1.095 6.060 3.031 6 H CYS 2 H CYS 2 -1.190 3.779 4.021 7 HA CYS 2 HA CYS 2 0.366 1.466 4.406 8 HB2 CYS 2 HB2 CYS 2 -2.030 1.558 4.929 9 HB3 CYS 2 HB1 CYS 2 -2.405 1.722 3.215 10 H ABA 3 H ABA 3 -1.086 2.821 1.452 11 HA ABA 3 HA ABA 3 -0.556 0.951 -0.436 12 HB3 ABA 3 HB1 ABA 3 -0.019 2.892 -1.991 13 HB2 ABA 3 HB2 ABA 3 -0.152 3.938 -0.575 14 HG1 ABA 3 HG ABA 3 -2.527 2.364 -0.537 15 H SER 4 H SER 4 1.813 2.812 1.323 16 HA SER 4 HA SER 4 4.025 2.472 -0.391 17 HB2 SER 4 HB2 SER 4 3.914 2.752 2.619 18 HB3 SER 4 HB1 SER 4 5.384 2.865 1.657 19 HG SER 4 HG SER 4 3.618 4.761 2.172 20 H ASP 5 H ASP 5 2.729 0.446 2.217 21 HA ASP 5 HA ASP 5 4.855 -1.423 2.182 22 HB2 ASP 5 HB2 ASP 5 2.022 -1.624 3.204 23 HB3 ASP 5 HB1 ASP 5 3.243 -2.873 3.450 24 HA PRO 6 HA PRO 6 3.663 -3.722 -1.464 25 HB2 PRO 6 HB2 PRO 6 5.016 -6.059 -1.008 26 HB3 PRO 6 HB1 PRO 6 5.809 -4.561 -1.537 27 HG2 PRO 6 HG2 PRO 6 5.658 -5.766 1.179 28 HG3 PRO 6 HG1 PRO 6 6.998 -4.929 0.381 29 HD2 PRO 6 HD2 PRO 6 5.380 -3.734 2.251 30 HD3 PRO 6 HD1 PRO 6 6.227 -2.841 0.966 31 H ARG 7 H ARG 7 3.016 -4.843 1.748 32 HA ARG 7 HA ARG 7 1.238 -6.989 0.810 33 HB2 ARG 7 HB2 ARG 7 1.854 -6.196 3.660 34 HB3 ARG 7 HB1 ARG 7 1.154 -7.710 3.092 35 HG2 ARG 7 HG2 ARG 7 3.955 -6.730 2.475 36 HG3 ARG 7 HG1 ARG 7 3.549 -7.983 3.644 37 HD2 ARG 7 HD2 ARG 7 3.202 -8.087 0.638 38 HD3 ARG 7 HD1 ARG 7 4.224 -9.103 1.642 39 HE ARG 7 HE ARG 7 1.357 -9.384 1.266 40 HH11 ARG 7 1HH2 ARG 7 4.160 -10.120 3.157 41 HH12 ARG 7 2HH2 ARG 7 3.466 -11.531 3.884 42 HH21 ARG 7 1HH1 ARG 7 0.441 -11.228 2.217 43 HH22 ARG 7 2HH1 ARG 7 1.361 -12.158 3.352 44 H CYS 8 H CYS 8 0.985 -3.766 1.159 45 HA CYS 8 HA CYS 8 -1.293 -3.320 2.730 46 HB2 CYS 8 HB2 CYS 8 0.222 -1.569 1.692 47 HB3 CYS 8 HB1 CYS 8 -0.629 -1.855 0.173 48 H ARG 9 H ARG 9 -3.463 -3.445 2.347 49 HA ARG 9 HA ARG 9 -4.429 -5.360 0.534 50 HB2 ARG 9 HB2 ARG 9 -5.836 -3.160 2.053 51 HB3 ARG 9 HB1 ARG 9 -6.686 -4.381 1.104 52 HG2 ARG 9 HG2 ARG 9 -5.654 -6.165 2.446 53 HG3 ARG 9 HG1 ARG 9 -4.775 -4.959 3.385 54 HD2 ARG 9 HD2 ARG 9 -6.908 -3.982 4.138 55 HD3 ARG 9 HD1 ARG 9 -7.792 -5.182 3.199 56 HE ARG 9 HE ARG 9 -6.400 -5.629 5.717 57 HH11 ARG 9 1HH2 ARG 9 -7.834 -6.955 2.860 58 HH12 ARG 9 2HH2 ARG 9 -8.097 -8.520 3.552 59 HH21 ARG 9 1HH1 ARG 9 -6.745 -7.679 6.632 60 HH22 ARG 9 2HH1 ARG 9 -7.481 -8.931 5.688 61 H TYR 10 H TYR 10 -4.244 -1.836 0.326 62 HA TYR 10 HA TYR 10 -5.045 -2.026 -2.519 63 HB2 TYR 10 HB2 TYR 10 -5.949 0.277 -2.263 64 HB3 TYR 10 HB1 TYR 10 -6.793 -0.901 -1.256 65 HD1 TYR 10 HD1 TYR 10 -6.327 -1.032 1.181 66 HD2 TYR 10 HD2 TYR 10 -4.613 2.034 -1.291 67 HE1 TYR 10 HE1 TYR 10 -5.768 0.288 3.205 68 HE2 TYR 10 HE2 TYR 10 -4.052 3.353 0.733 69 HH TYR 10 HH TYR 10 -4.299 3.519 2.944 70 H ARG 11 H ARG 11 -3.943 -0.730 -3.989 71 HA ARG 11 HA ARG 11 -1.306 0.182 -3.054 72 HB2 ARG 11 HB2 ARG 11 -2.326 -0.515 -5.816 73 HB3 ARG 11 HB1 ARG 11 -0.704 0.085 -5.475 74 HG2 ARG 11 HG2 ARG 11 -0.331 -1.844 -3.954 75 HG3 ARG 11 HG1 ARG 11 -1.931 -2.461 -4.375 76 HD2 ARG 11 HD2 ARG 11 0.303 -1.952 -6.359 77 HD3 ARG 11 HD1 ARG 11 -0.125 -3.528 -5.710 78 HE ARG 11 HE ARG 11 -2.171 -3.449 -6.921 79 HH11 ARG 11 1HH2 ARG 11 -0.128 -0.702 -7.447 80 HH12 ARG 11 2HH2 ARG 11 -0.940 -0.214 -8.895 81 HH21 ARG 11 1HH1 ARG 11 -3.231 -2.811 -8.815 82 HH22 ARG 11 2HH1 ARG 11 -2.695 -1.403 -9.668 83 H ABA 12 H ABA 12 -0.473 2.191 -3.651 84 HA ABA 12 HA ABA 12 -2.269 4.106 -4.948 85 HB3 ABA 12 HB1 ABA 12 -2.411 5.559 -3.193 86 HB2 ABA 12 HB2 ABA 12 -0.898 5.041 -2.477 87 HG1 ABA 12 HG ABA 12 -3.627 3.793 -2.120 88 H ARG 13 H ARG 13 -1.206 5.913 -5.831 89 HA ARG 13 HA ARG 13 1.579 5.427 -6.503 90 HB2 ARG 13 HB2 ARG 13 -0.170 7.751 -7.331 91 HB3 ARG 13 HB1 ARG 13 1.315 7.208 -8.102 92 HG2 ARG 13 HG2 ARG 13 -1.156 5.481 -7.886 93 HG3 ARG 13 HG1 ARG 13 -0.817 6.526 -9.262 94 HD2 ARG 13 HD2 ARG 13 1.387 5.342 -9.528 95 HD3 ARG 13 HD1 ARG 13 0.863 4.211 -8.284 96 HE ARG 13 HE ARG 13 -0.160 4.394 -10.997 97 HH11 ARG 13 1HH2 ARG 13 -0.530 3.198 -7.773 98 HH12 ARG 13 2HH2 ARG 13 -1.560 1.883 -8.232 99 HH21 ARG 13 1HH1 ARG 13 -1.499 2.664 -11.610 100 HH22 ARG 13 2HH1 ARG 13 -2.109 1.581 -10.404 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 0.777 4.709 3.848 2 H2 GLY 1 HT2 GLY 1 2.221 5.517 4.237 3 H3 GLY 1 HT3 GLY 1 0.839 5.725 5.205 4 HA2 GLY 1 HA2 GLY 1 2.810 4.049 5.813 5 HA3 GLY 1 HA1 GLY 1 1.137 3.811 6.322 6 H CYS 2 H CYS 2 -0.249 2.482 4.967 7 HA CYS 2 HA CYS 2 1.015 0.076 4.151 8 HB2 CYS 2 HB2 CYS 2 -1.118 -0.753 3.898 9 HB3 CYS 2 HB1 CYS 2 -1.492 0.655 4.887 10 H ABA 3 H ABA 3 -0.301 2.859 2.435 11 HA ABA 3 HA ABA 3 -0.296 2.086 -0.164 12 HB3 ABA 3 HB1 ABA 3 0.807 4.526 -0.483 13 HB2 ABA 3 HB2 ABA 3 0.357 4.646 1.208 14 HG1 ABA 3 HG ABA 3 -1.982 4.559 0.652 15 H SER 4 H SER 4 2.558 3.244 1.623 16 HA SER 4 HA SER 4 4.385 2.819 -0.506 17 HB2 SER 4 HB2 SER 4 6.120 3.125 1.183 18 HB3 SER 4 HB1 SER 4 4.841 4.313 1.415 19 HG SER 4 HG SER 4 3.980 2.943 3.030 20 H ASP 5 H ASP 5 3.312 0.816 2.202 21 HA ASP 5 HA ASP 5 5.171 -1.287 1.584 22 HB2 ASP 5 HB2 ASP 5 2.831 -1.211 3.480 23 HB3 ASP 5 HB1 ASP 5 3.987 -2.535 3.366 24 HA PRO 6 HA PRO 6 2.573 -3.290 -1.468 25 HB2 PRO 6 HB2 PRO 6 3.811 -5.739 -1.527 26 HB3 PRO 6 HB1 PRO 6 4.479 -4.288 -2.302 27 HG2 PRO 6 HG2 PRO 6 5.203 -5.564 0.286 28 HG3 PRO 6 HG1 PRO 6 6.239 -4.787 -0.923 29 HD2 PRO 6 HD2 PRO 6 5.468 -3.571 1.404 30 HD3 PRO 6 HD1 PRO 6 5.878 -2.684 -0.087 31 H ARG 7 H ARG 7 2.877 -4.276 1.784 32 HA ARG 7 HA ARG 7 1.242 -6.599 1.742 33 HB2 ARG 7 HB2 ARG 7 1.864 -4.659 3.987 34 HB3 ARG 7 HB1 ARG 7 1.069 -6.219 4.193 35 HG2 ARG 7 HG2 ARG 7 3.683 -6.128 2.733 36 HG3 ARG 7 HG1 ARG 7 3.695 -6.007 4.492 37 HD2 ARG 7 HD2 ARG 7 2.379 -8.101 4.632 38 HD3 ARG 7 HD1 ARG 7 2.406 -8.230 2.878 39 HE ARG 7 HE ARG 7 5.060 -8.016 3.768 40 HH11 ARG 7 1HH2 ARG 7 2.336 -10.142 3.958 41 HH12 ARG 7 2HH2 ARG 7 3.292 -11.579 4.102 42 HH21 ARG 7 1HH1 ARG 7 6.320 -9.896 3.956 43 HH22 ARG 7 2HH1 ARG 7 5.548 -11.440 4.101 44 H CYS 8 H CYS 8 0.566 -3.221 1.548 45 HA CYS 8 HA CYS 8 -1.975 -3.046 2.712 46 HB2 CYS 8 HB2 CYS 8 -0.517 -1.186 1.700 47 HB3 CYS 8 HB1 CYS 8 -1.244 -1.625 0.158 48 H ARG 9 H ARG 9 -3.998 -3.640 2.095 49 HA ARG 9 HA ARG 9 -4.328 -5.689 0.171 50 HB2 ARG 9 HB2 ARG 9 -6.696 -5.542 0.678 51 HB3 ARG 9 HB1 ARG 9 -5.786 -5.361 2.180 52 HG2 ARG 9 HG2 ARG 9 -5.964 -2.874 1.922 53 HG3 ARG 9 HG1 ARG 9 -7.012 -3.136 0.527 54 HD2 ARG 9 HD2 ARG 9 -7.565 -4.177 3.314 55 HD3 ARG 9 HD1 ARG 9 -8.305 -2.742 2.610 56 HE ARG 9 HE ARG 9 -8.798 -4.795 0.815 57 HH11 ARG 9 1HH2 ARG 9 -9.410 -4.095 4.149 58 HH12 ARG 9 2HH2 ARG 9 -10.887 -4.998 4.209 59 HH21 ARG 9 1HH1 ARG 9 -10.734 -5.980 0.888 60 HH22 ARG 9 2HH1 ARG 9 -11.637 -6.065 2.364 61 H TYR 10 H TYR 10 -4.043 -2.353 -0.211 62 HA TYR 10 HA TYR 10 -5.090 -2.544 -2.964 63 HB2 TYR 10 HB2 TYR 10 -6.110 -0.342 -2.794 64 HB3 TYR 10 HB1 TYR 10 -6.772 -1.388 -1.537 65 HD1 TYR 10 HD1 TYR 10 -4.275 1.291 -2.201 66 HD2 TYR 10 HD2 TYR 10 -6.474 -0.888 0.775 67 HE1 TYR 10 HE1 TYR 10 -3.516 2.891 -0.466 68 HE2 TYR 10 HE2 TYR 10 -5.714 0.711 2.511 69 HH TYR 10 HH TYR 10 -4.914 3.095 2.585 70 H ARG 11 H ARG 11 -4.164 -0.969 -4.433 71 HA ARG 11 HA ARG 11 -1.380 -0.392 -3.750 72 HB2 ARG 11 HB2 ARG 11 -2.874 -0.175 -6.376 73 HB3 ARG 11 HB1 ARG 11 -1.144 0.095 -6.163 74 HG2 ARG 11 HG2 ARG 11 -0.836 -2.203 -5.403 75 HG3 ARG 11 HG1 ARG 11 -2.575 -2.489 -5.482 76 HD2 ARG 11 HD2 ARG 11 -1.546 -3.396 -7.487 77 HD3 ARG 11 HD1 ARG 11 -2.500 -1.984 -7.927 78 HE ARG 11 HE ARG 11 0.193 -1.231 -7.392 79 HH11 ARG 11 1HH2 ARG 11 -1.839 -2.837 -9.687 80 HH12 ARG 11 2HH2 ARG 11 -0.833 -2.460 -11.047 81 HH21 ARG 11 1HH1 ARG 11 1.516 -0.733 -9.170 82 HH22 ARG 11 2HH1 ARG 11 1.065 -1.268 -10.754 83 H ABA 12 H ABA 12 -0.460 1.650 -3.807 84 HA ABA 12 HA ABA 12 -2.385 3.885 -3.712 85 HB3 ABA 12 HB1 ABA 12 -0.040 4.852 -2.664 86 HB2 ABA 12 HB2 ABA 12 -0.012 3.165 -2.157 87 HG1 ABA 12 HG ABA 12 -2.659 4.443 -1.690 88 H ARG 13 H ARG 13 -0.558 2.515 -5.931 89 HA ARG 13 HA ARG 13 0.719 4.975 -6.925 90 HB2 ARG 13 HB2 ARG 13 1.124 2.056 -7.387 91 HB3 ARG 13 HB1 ARG 13 1.495 3.157 -8.717 92 HG2 ARG 13 HG2 ARG 13 3.489 2.785 -7.318 93 HG3 ARG 13 HG1 ARG 13 2.966 4.467 -7.230 94 HD2 ARG 13 HD2 ARG 13 1.936 4.125 -5.095 95 HD3 ARG 13 HD1 ARG 13 2.104 2.377 -5.224 96 HE ARG 13 HE ARG 13 4.677 3.450 -5.373 97 HH11 ARG 13 1HH2 ARG 13 2.012 3.317 -3.169 98 HH12 ARG 13 2HH2 ARG 13 3.003 3.390 -1.751 99 HH21 ARG 13 1HH1 ARG 13 5.983 3.545 -3.517 100 HH22 ARG 13 2HH1 ARG 13 5.251 3.520 -1.948 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 3.103 6.617 3.949 2 H2 GLY 1 HT2 GLY 1 3.424 5.100 4.646 3 H3 GLY 1 HT3 GLY 1 2.664 6.313 5.560 4 HA2 GLY 1 HA2 GLY 1 0.684 5.607 4.921 5 HA3 GLY 1 HA1 GLY 1 1.145 5.912 3.245 6 H CYS 2 H CYS 2 -0.394 3.675 4.530 7 HA CYS 2 HA CYS 2 1.103 1.302 4.563 8 HB2 CYS 2 HB2 CYS 2 -1.128 1.341 5.466 9 HB3 CYS 2 HB1 CYS 2 -1.806 1.776 3.896 10 H ABA 3 H ABA 3 -0.744 2.794 1.914 11 HA ABA 3 HA ABA 3 -0.564 0.968 -0.072 12 HB3 ABA 3 HB1 ABA 3 -0.218 2.918 -1.650 13 HB2 ABA 3 HB2 ABA 3 -0.106 3.946 -0.219 14 HG1 ABA 3 HG ABA 3 -2.468 2.428 0.196 15 H SER 4 H SER 4 2.101 2.828 1.249 16 HA SER 4 HA SER 4 3.994 2.371 -0.780 17 HB2 SER 4 HB2 SER 4 4.396 2.761 2.192 18 HB3 SER 4 HB1 SER 4 5.679 2.817 0.988 19 HG SER 4 HG SER 4 3.449 4.531 1.297 20 H ASP 5 H ASP 5 3.165 0.468 2.109 21 HA ASP 5 HA ASP 5 5.214 -1.475 1.627 22 HB2 ASP 5 HB2 ASP 5 4.203 -2.698 3.475 23 HB3 ASP 5 HB1 ASP 5 4.305 -0.988 3.883 24 HA PRO 6 HA PRO 6 2.999 -3.963 -1.325 25 HB2 PRO 6 HB2 PRO 6 4.157 -6.402 -0.887 26 HB3 PRO 6 HB1 PRO 6 4.955 -5.084 -1.769 27 HG2 PRO 6 HG2 PRO 6 5.310 -5.967 1.052 28 HG3 PRO 6 HG1 PRO 6 6.518 -5.418 -0.122 29 HD2 PRO 6 HD2 PRO 6 5.556 -3.812 1.866 30 HD3 PRO 6 HD1 PRO 6 6.113 -3.182 0.299 31 H ARG 7 H ARG 7 3.014 -4.693 2.051 32 HA ARG 7 HA ARG 7 1.193 -6.879 2.033 33 HB2 ARG 7 HB2 ARG 7 1.952 -4.890 4.180 34 HB3 ARG 7 HB1 ARG 7 0.882 -6.264 4.456 35 HG2 ARG 7 HG2 ARG 7 2.658 -7.804 3.704 36 HG3 ARG 7 HG1 ARG 7 3.731 -6.431 3.433 37 HD2 ARG 7 HD2 ARG 7 3.577 -5.837 5.823 38 HD3 ARG 7 HD1 ARG 7 2.510 -7.212 6.095 39 HE ARG 7 HE ARG 7 4.880 -8.149 4.895 40 HH11 ARG 7 1HH2 ARG 7 3.730 -6.700 7.819 41 HH12 ARG 7 2HH2 ARG 7 4.934 -7.438 8.821 42 HH21 ARG 7 1HH1 ARG 7 6.462 -9.121 6.204 43 HH22 ARG 7 2HH1 ARG 7 6.481 -8.809 7.907 44 H CYS 8 H CYS 8 0.828 -3.431 1.774 45 HA CYS 8 HA CYS 8 -1.725 -2.996 2.743 46 HB2 CYS 8 HB2 CYS 8 0.081 -1.519 1.294 47 HB3 CYS 8 HB1 CYS 8 -1.253 -1.711 0.152 48 H ARG 9 H ARG 9 -3.786 -3.181 1.960 49 HA ARG 9 HA ARG 9 -4.393 -5.438 0.386 50 HB2 ARG 9 HB2 ARG 9 -6.104 -3.058 1.150 51 HB3 ARG 9 HB1 ARG 9 -6.726 -4.541 0.437 52 HG2 ARG 9 HG2 ARG 9 -5.133 -4.521 3.010 53 HG3 ARG 9 HG1 ARG 9 -6.885 -4.357 2.987 54 HD2 ARG 9 HD2 ARG 9 -7.026 -6.535 1.762 55 HD3 ARG 9 HD1 ARG 9 -5.285 -6.714 1.934 56 HE ARG 9 HE ARG 9 -7.265 -7.000 4.041 57 HH11 ARG 9 1HH2 ARG 9 -3.954 -6.560 3.134 58 HH12 ARG 9 2HH2 ARG 9 -3.321 -7.202 4.611 59 HH21 ARG 9 1HH1 ARG 9 -6.440 -7.853 5.978 60 HH22 ARG 9 2HH1 ARG 9 -4.726 -7.934 6.222 61 H TYR 10 H TYR 10 -4.179 -2.000 -0.399 62 HA TYR 10 HA TYR 10 -4.188 -2.735 -3.249 63 HB2 TYR 10 HB2 TYR 10 -5.788 -1.058 -3.825 64 HB3 TYR 10 HB1 TYR 10 -6.498 -2.002 -2.514 65 HD1 TYR 10 HD1 TYR 10 -6.304 -1.116 -0.125 66 HD2 TYR 10 HD2 TYR 10 -5.393 1.259 -3.586 67 HE1 TYR 10 HE1 TYR 10 -6.529 0.948 1.231 68 HE2 TYR 10 HE2 TYR 10 -5.615 3.322 -2.229 69 HH TYR 10 HH TYR 10 -5.964 4.164 -0.208 70 H ARG 11 H ARG 11 -3.313 -1.046 -4.635 71 HA ARG 11 HA ARG 11 -1.139 0.370 -3.314 72 HB2 ARG 11 HB2 ARG 11 -0.774 -0.986 -5.390 73 HB3 ARG 11 HB1 ARG 11 -1.756 0.188 -6.269 74 HG2 ARG 11 HG2 ARG 11 -0.210 1.989 -5.579 75 HG3 ARG 11 HG1 ARG 11 0.780 0.804 -4.728 76 HD2 ARG 11 HD2 ARG 11 0.185 0.771 -7.701 77 HD3 ARG 11 HD1 ARG 11 1.693 1.314 -6.973 78 HE ARG 11 HE ARG 11 0.818 -1.435 -7.293 79 HH11 ARG 11 1HH2 ARG 11 2.858 0.816 -5.636 80 HH12 ARG 11 2HH2 ARG 11 4.029 -0.373 -5.174 81 HH21 ARG 11 1HH1 ARG 11 2.349 -3.001 -6.690 82 HH22 ARG 11 2HH1 ARG 11 3.741 -2.534 -5.771 83 H ABA 12 H ABA 12 -0.906 2.555 -3.212 84 HA ABA 12 HA ABA 12 -3.245 4.161 -4.016 85 HB3 ABA 12 HB1 ABA 12 -2.677 5.716 -2.306 86 HB2 ABA 12 HB2 ABA 12 -1.102 4.990 -2.057 87 HG1 ABA 12 HG ABA 12 -3.800 3.863 -1.195 88 H ARG 13 H ARG 13 -2.350 6.643 -4.136 89 HA ARG 13 HA ARG 13 -0.664 6.617 -6.510 90 HB2 ARG 13 HB2 ARG 13 -1.285 9.283 -5.776 91 HB3 ARG 13 HB1 ARG 13 -1.982 8.332 -7.088 92 HG2 ARG 13 HG2 ARG 13 -3.800 9.081 -5.713 93 HG3 ARG 13 HG1 ARG 13 -3.601 7.361 -5.406 94 HD2 ARG 13 HD2 ARG 13 -3.652 8.076 -3.218 95 HD3 ARG 13 HD1 ARG 13 -1.935 8.339 -3.516 96 HE ARG 13 HE ARG 13 -3.466 10.628 -4.268 97 HH11 ARG 13 1HH2 ARG 13 -2.189 8.876 -1.572 98 HH12 ARG 13 2HH2 ARG 13 -2.095 10.263 -0.540 99 HH21 ARG 13 1HH1 ARG 13 -3.349 12.450 -2.920 100 HH22 ARG 13 2HH1 ARG 13 -2.751 12.287 -1.303 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 3.257 5.982 4.989 2 H2 GLY 1 HT2 GLY 1 2.658 5.205 3.602 3 H3 GLY 1 HT3 GLY 1 3.959 4.531 4.462 4 HA2 GLY 1 HA2 GLY 1 2.543 4.124 6.366 5 HA3 GLY 1 HA1 GLY 1 1.192 4.850 5.494 6 H CYS 2 H CYS 2 -0.151 3.175 5.094 7 HA CYS 2 HA CYS 2 0.664 0.528 4.589 8 HB2 CYS 2 HB2 CYS 2 -1.643 1.303 5.296 9 HB3 CYS 2 HB1 CYS 2 -1.897 1.817 3.629 10 H ABA 3 H ABA 3 -0.295 3.177 2.465 11 HA ABA 3 HA ABA 3 -0.180 1.975 -0.014 12 HB3 ABA 3 HB1 ABA 3 0.814 4.332 -0.678 13 HB2 ABA 3 HB2 ABA 3 0.386 4.730 0.981 14 HG1 ABA 3 HG ABA 3 -1.959 4.454 0.529 15 H SER 4 H SER 4 2.491 3.249 1.921 16 HA SER 4 HA SER 4 4.533 2.904 0.018 17 HB2 SER 4 HB2 SER 4 4.636 2.804 3.037 18 HB3 SER 4 HB1 SER 4 6.058 2.849 2.003 19 HG SER 4 HG SER 4 5.698 4.939 2.330 20 H ASP 5 H ASP 5 3.227 0.691 2.481 21 HA ASP 5 HA ASP 5 5.103 -1.389 1.826 22 HB2 ASP 5 HB2 ASP 5 4.232 -2.548 3.585 23 HB3 ASP 5 HB1 ASP 5 3.654 -0.936 4.007 24 HA PRO 6 HA PRO 6 2.806 -3.027 -1.677 25 HB2 PRO 6 HB2 PRO 6 4.018 -5.460 -1.896 26 HB3 PRO 6 HB1 PRO 6 4.793 -3.943 -2.401 27 HG2 PRO 6 HG2 PRO 6 5.190 -5.547 0.073 28 HG3 PRO 6 HG1 PRO 6 6.375 -4.676 -0.914 29 HD2 PRO 6 HD2 PRO 6 5.375 -3.700 1.439 30 HD3 PRO 6 HD1 PRO 6 5.984 -2.678 0.121 31 H ARG 7 H ARG 7 2.958 -4.620 1.403 32 HA ARG 7 HA ARG 7 1.115 -6.718 0.848 33 HB2 ARG 7 HB2 ARG 7 2.033 -5.443 3.430 34 HB3 ARG 7 HB1 ARG 7 0.942 -6.825 3.364 35 HG2 ARG 7 HG2 ARG 7 2.650 -8.066 2.038 36 HG3 ARG 7 HG1 ARG 7 3.751 -6.701 2.236 37 HD2 ARG 7 HD2 ARG 7 2.494 -8.205 4.537 38 HD3 ARG 7 HD1 ARG 7 4.096 -8.540 3.913 39 HE ARG 7 HE ARG 7 4.831 -6.414 4.729 40 HH11 ARG 7 1HH2 ARG 7 1.519 -7.139 5.441 41 HH12 ARG 7 2HH2 ARG 7 1.385 -5.943 6.677 42 HH21 ARG 7 1HH1 ARG 7 4.654 -4.841 6.351 43 HH22 ARG 7 2HH1 ARG 7 3.154 -4.640 7.194 44 H CYS 8 H CYS 8 0.751 -3.341 1.333 45 HA CYS 8 HA CYS 8 -1.586 -2.962 2.675 46 HB2 CYS 8 HB2 CYS 8 -0.131 -1.335 1.209 47 HB3 CYS 8 HB1 CYS 8 -1.350 -1.672 -0.016 48 H ARG 9 H ARG 9 -3.797 -2.924 2.181 49 HA ARG 9 HA ARG 9 -4.778 -5.210 0.890 50 HB2 ARG 9 HB2 ARG 9 -6.119 -2.648 1.767 51 HB3 ARG 9 HB1 ARG 9 -7.012 -4.002 1.076 52 HG2 ARG 9 HG2 ARG 9 -5.112 -4.597 3.300 53 HG3 ARG 9 HG1 ARG 9 -6.624 -3.789 3.714 54 HD2 ARG 9 HD2 ARG 9 -6.474 -6.318 2.051 55 HD3 ARG 9 HD1 ARG 9 -6.738 -6.311 3.792 56 HE ARG 9 HE ARG 9 -8.639 -4.598 2.679 57 HH11 ARG 9 1HH2 ARG 9 -7.713 -7.929 2.548 58 HH12 ARG 9 2HH2 ARG 9 -9.314 -8.506 2.228 59 HH21 ARG 9 1HH1 ARG 9 -10.742 -5.345 2.258 60 HH22 ARG 9 2HH1 ARG 9 -11.030 -7.043 2.064 61 H TYR 10 H TYR 10 -4.387 -1.888 -0.226 62 HA TYR 10 HA TYR 10 -4.978 -2.824 -2.966 63 HB2 TYR 10 HB2 TYR 10 -6.201 -0.803 -3.432 64 HB3 TYR 10 HB1 TYR 10 -6.909 -1.548 -1.998 65 HD1 TYR 10 HD1 TYR 10 -6.236 -0.693 0.296 66 HD2 TYR 10 HD2 TYR 10 -5.204 1.359 -3.335 67 HE1 TYR 10 HE1 TYR 10 -5.801 1.377 1.589 68 HE2 TYR 10 HE2 TYR 10 -4.764 3.428 -2.041 69 HH TYR 10 HH TYR 10 -4.078 3.696 0.813 70 H ARG 11 H ARG 11 -3.950 -1.600 -4.636 71 HA ARG 11 HA ARG 11 -1.300 -0.763 -3.925 72 HB2 ARG 11 HB2 ARG 11 -1.874 -1.991 -6.029 73 HB3 ARG 11 HB1 ARG 11 -2.690 -0.534 -6.597 74 HG2 ARG 11 HG2 ARG 11 -0.624 0.738 -6.424 75 HG3 ARG 11 HG1 ARG 11 0.212 -0.664 -5.753 76 HD2 ARG 11 HD2 ARG 11 -0.214 -1.914 -7.834 77 HD3 ARG 11 HD1 ARG 11 -1.046 -0.514 -8.506 78 HE ARG 11 HE ARG 11 1.023 0.499 -8.849 79 HH11 ARG 11 1HH2 ARG 11 1.290 -2.325 -6.872 80 HH12 ARG 11 2HH2 ARG 11 3.020 -2.377 -6.936 81 HH21 ARG 11 1HH1 ARG 11 3.295 0.438 -8.943 82 HH22 ARG 11 2HH1 ARG 11 4.155 -0.813 -8.109 83 H ABA 12 H ABA 12 -0.543 1.246 -3.628 84 HA ABA 12 HA ABA 12 -2.451 3.453 -3.756 85 HB3 ABA 12 HB1 ABA 12 -0.064 4.466 -2.797 86 HB2 ABA 12 HB2 ABA 12 -0.063 2.811 -2.198 87 HG1 ABA 12 HG ABA 12 -2.692 4.097 -1.742 88 H ARG 13 H ARG 13 0.100 2.141 -5.539 89 HA ARG 13 HA ARG 13 -0.096 4.240 -7.497 90 HB2 ARG 13 HB2 ARG 13 1.536 5.360 -6.150 91 HB3 ARG 13 HB1 ARG 13 2.453 3.874 -5.902 92 HG2 ARG 13 HG2 ARG 13 3.503 5.423 -7.584 93 HG3 ARG 13 HG1 ARG 13 3.130 3.837 -8.243 94 HD2 ARG 13 HD2 ARG 13 2.455 5.814 -9.697 95 HD3 ARG 13 HD1 ARG 13 1.176 4.653 -9.362 96 HE ARG 13 HE ARG 13 1.200 6.744 -7.415 97 HH11 ARG 13 1HH2 ARG 13 0.359 5.974 -10.682 98 HH12 ARG 13 2HH2 ARG 13 -0.911 7.147 -10.778 99 HH21 ARG 13 1HH1 ARG 13 -0.465 8.284 -7.532 100 HH22 ARG 13 2HH1 ARG 13 -1.377 8.456 -8.995 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 -0.218 5.190 6.040 2 H2 GLY 1 HT2 GLY 1 1.055 6.301 5.864 3 H3 GLY 1 HT3 GLY 1 1.390 4.655 6.109 4 HA2 GLY 1 HA2 GLY 1 -0.222 5.427 3.783 5 HA3 GLY 1 HA1 GLY 1 1.522 5.685 3.731 6 H CYS 2 H CYS 2 -0.998 3.252 4.176 7 HA CYS 2 HA CYS 2 0.709 0.986 4.341 8 HB2 CYS 2 HB2 CYS 2 -1.241 -0.275 4.209 9 HB3 CYS 2 HB1 CYS 2 -1.872 1.261 4.786 10 H ABA 3 H ABA 3 -0.657 2.799 1.657 11 HA ABA 3 HA ABA 3 -0.199 0.999 -0.431 12 HB3 ABA 3 HB1 ABA 3 0.034 3.114 -1.836 13 HB2 ABA 3 HB2 ABA 3 -0.168 4.016 -0.336 14 HG1 ABA 3 HG ABA 3 -2.338 2.185 -0.322 15 H SER 4 H SER 4 2.009 2.845 1.468 16 HA SER 4 HA SER 4 4.179 2.956 -0.359 17 HB2 SER 4 HB2 SER 4 5.527 3.531 1.556 18 HB3 SER 4 HB1 SER 4 3.968 4.328 1.733 19 HG SER 4 HG SER 4 4.890 1.955 2.985 20 H ASP 5 H ASP 5 2.805 0.412 1.516 21 HA ASP 5 HA ASP 5 5.142 -1.272 0.932 22 HB2 ASP 5 HB2 ASP 5 3.239 -1.375 3.265 23 HB3 ASP 5 HB1 ASP 5 4.394 -2.648 2.888 24 HA PRO 6 HA PRO 6 2.395 -3.762 -1.545 25 HB2 PRO 6 HB2 PRO 6 3.696 -6.183 -1.413 26 HB3 PRO 6 HB1 PRO 6 4.239 -4.828 -2.423 27 HG2 PRO 6 HG2 PRO 6 5.240 -5.748 0.222 28 HG3 PRO 6 HG1 PRO 6 6.132 -5.112 -1.170 29 HD2 PRO 6 HD2 PRO 6 5.567 -3.609 1.040 30 HD3 PRO 6 HD1 PRO 6 5.768 -2.919 -0.585 31 H ARG 7 H ARG 7 3.035 -4.428 1.745 32 HA ARG 7 HA ARG 7 1.474 -6.751 2.117 33 HB2 ARG 7 HB2 ARG 7 2.153 -4.510 4.045 34 HB3 ARG 7 HB1 ARG 7 1.441 -6.055 4.507 35 HG2 ARG 7 HG2 ARG 7 3.964 -6.053 2.887 36 HG3 ARG 7 HG1 ARG 7 4.062 -5.728 4.616 37 HD2 ARG 7 HD2 ARG 7 2.865 -7.846 5.072 38 HD3 ARG 7 HD1 ARG 7 2.785 -8.176 3.348 39 HE ARG 7 HE ARG 7 5.481 -7.747 4.064 40 HH11 ARG 7 1HH2 ARG 7 2.867 -9.969 4.516 41 HH12 ARG 7 2HH2 ARG 7 3.892 -11.351 4.710 42 HH21 ARG 7 1HH1 ARG 7 6.832 -9.556 4.318 43 HH22 ARG 7 2HH1 ARG 7 6.137 -11.117 4.597 44 H CYS 8 H CYS 8 0.673 -3.364 1.793 45 HA CYS 8 HA CYS 8 -1.913 -3.430 2.958 46 HB2 CYS 8 HB2 CYS 8 -0.560 -1.385 2.312 47 HB3 CYS 8 HB1 CYS 8 -1.067 -1.678 0.652 48 H ARG 9 H ARG 9 -3.928 -3.829 2.105 49 HA ARG 9 HA ARG 9 -4.155 -5.753 0.059 50 HB2 ARG 9 HB2 ARG 9 -6.202 -3.928 1.331 51 HB3 ARG 9 HB1 ARG 9 -6.616 -5.199 0.180 52 HG2 ARG 9 HG2 ARG 9 -5.706 -6.904 1.634 53 HG3 ARG 9 HG1 ARG 9 -5.058 -5.686 2.733 54 HD2 ARG 9 HD2 ARG 9 -8.006 -6.010 2.119 55 HD3 ARG 9 HD1 ARG 9 -7.211 -6.719 3.521 56 HE ARG 9 HE ARG 9 -6.615 -3.980 3.505 57 HH11 ARG 9 1HH2 ARG 9 -9.329 -6.108 3.787 58 HH12 ARG 9 2HH2 ARG 9 -10.241 -5.035 4.794 59 HH21 ARG 9 1HH1 ARG 9 -7.806 -2.567 4.825 60 HH22 ARG 9 2HH1 ARG 9 -9.379 -3.029 5.382 61 H TYR 10 H TYR 10 -4.556 -2.236 0.041 62 HA TYR 10 HA TYR 10 -4.890 -2.336 -2.895 63 HB2 TYR 10 HB2 TYR 10 -5.890 -0.084 -2.673 64 HB3 TYR 10 HB1 TYR 10 -6.792 -1.299 -1.766 65 HD1 TYR 10 HD2 TYR 10 -4.524 1.593 -1.528 66 HD2 TYR 10 HD1 TYR 10 -6.731 -1.358 0.675 67 HE1 TYR 10 HE2 TYR 10 -4.182 2.894 0.557 68 HE2 TYR 10 HE1 TYR 10 -6.390 -0.059 2.759 69 HH TYR 10 HH TYR 10 -4.721 1.629 3.618 70 H ARG 11 H ARG 11 -3.814 -0.683 -4.135 71 HA ARG 11 HA ARG 11 -1.274 0.182 -2.892 72 HB2 ARG 11 HB2 ARG 11 -1.924 -0.363 -5.799 73 HB3 ARG 11 HB1 ARG 11 -0.361 0.180 -5.184 74 HG2 ARG 11 HG2 ARG 11 -0.072 -1.842 -3.908 75 HG3 ARG 11 HG1 ARG 11 -1.727 -2.355 -4.245 76 HD2 ARG 11 HD2 ARG 11 0.422 -1.963 -6.347 77 HD3 ARG 11 HD1 ARG 11 -0.057 -3.521 -5.680 78 HE ARG 11 HE ARG 11 -2.377 -2.279 -6.628 79 HH11 ARG 11 1HH2 ARG 11 0.649 -3.476 -7.805 80 HH12 ARG 11 2HH2 ARG 11 0.034 -3.888 -9.371 81 HH21 ARG 11 1HH1 ARG 11 -3.190 -2.817 -8.679 82 HH22 ARG 11 2HH1 ARG 11 -2.139 -3.515 -9.866 83 H ABA 12 H ABA 12 -0.463 2.258 -3.348 84 HA ABA 12 HA ABA 12 -2.242 4.145 -4.709 85 HB3 ABA 12 HB1 ABA 12 -2.659 5.441 -2.899 86 HB2 ABA 12 HB2 ABA 12 -1.097 5.122 -2.168 87 HG1 ABA 12 HG ABA 12 -3.652 3.547 -1.827 88 H ARG 13 H ARG 13 -1.202 6.126 -5.300 89 HA ARG 13 HA ARG 13 1.659 6.389 -4.917 90 HB2 ARG 13 HB2 ARG 13 2.345 6.130 -7.162 91 HB3 ARG 13 HB1 ARG 13 1.276 4.758 -6.875 92 HG2 ARG 13 HG2 ARG 13 0.546 7.351 -8.292 93 HG3 ARG 13 HG1 ARG 13 0.710 5.762 -9.020 94 HD2 ARG 13 HD2 ARG 13 -1.389 6.685 -7.058 95 HD3 ARG 13 HD1 ARG 13 -1.625 6.062 -8.688 96 HE ARG 13 HE ARG 13 -1.168 4.494 -6.285 97 HH11 ARG 13 1HH2 ARG 13 -1.112 4.652 -9.741 98 HH12 ARG 13 2HH2 ARG 13 -1.245 2.939 -9.959 99 HH21 ARG 13 1HH1 ARG 13 -1.343 2.247 -6.563 100 HH22 ARG 13 2HH1 ARG 13 -1.376 1.578 -8.160 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 2.294 5.403 7.191 2 H2 GLY 1 HT2 GLY 1 1.133 4.162 7.172 3 H3 GLY 1 HT3 GLY 1 0.643 5.788 7.243 4 HA2 GLY 1 HA2 GLY 1 0.391 5.642 5.044 5 HA3 GLY 1 HA1 GLY 1 2.150 5.763 5.006 6 H CYS 2 H CYS 2 -0.552 3.481 5.107 7 HA CYS 2 HA CYS 2 0.916 1.095 4.850 8 HB2 CYS 2 HB2 CYS 2 -1.483 1.156 5.406 9 HB3 CYS 2 HB1 CYS 2 -1.843 1.739 3.781 10 H ABA 3 H ABA 3 -0.525 3.199 2.365 11 HA ABA 3 HA ABA 3 -0.111 1.930 0.036 12 HB3 ABA 3 HB1 ABA 3 0.832 4.264 -0.782 13 HB2 ABA 3 HB2 ABA 3 0.379 4.769 0.838 14 HG1 ABA 3 HG ABA 3 -1.952 4.394 0.409 15 H SER 4 H SER 4 2.384 3.064 2.184 16 HA SER 4 HA SER 4 4.589 2.925 0.438 17 HB2 SER 4 HB2 SER 4 4.707 4.006 2.638 18 HB3 SER 4 HB1 SER 4 4.480 2.448 3.426 19 HG SER 4 HG SER 4 6.576 3.014 1.598 20 H ASP 5 H ASP 5 3.174 0.454 2.606 21 HA ASP 5 HA ASP 5 5.124 -1.502 1.825 22 HB2 ASP 5 HB2 ASP 5 4.148 -2.905 3.403 23 HB3 ASP 5 HB1 ASP 5 3.807 -1.305 4.056 24 HA PRO 6 HA PRO 6 2.876 -2.946 -1.767 25 HB2 PRO 6 HB2 PRO 6 4.059 -5.372 -2.129 26 HB3 PRO 6 HB1 PRO 6 4.860 -3.838 -2.527 27 HG2 PRO 6 HG2 PRO 6 5.207 -5.591 -0.147 28 HG3 PRO 6 HG1 PRO 6 6.414 -4.685 -1.074 29 HD2 PRO 6 HD2 PRO 6 5.399 -3.821 1.331 30 HD3 PRO 6 HD1 PRO 6 6.031 -2.727 0.077 31 H ARG 7 H ARG 7 2.933 -4.606 1.248 32 HA ARG 7 HA ARG 7 1.080 -6.689 0.557 33 HB2 ARG 7 HB2 ARG 7 1.965 -5.621 3.248 34 HB3 ARG 7 HB1 ARG 7 1.006 -7.077 3.006 35 HG2 ARG 7 HG2 ARG 7 3.578 -6.805 1.502 36 HG3 ARG 7 HG1 ARG 7 3.651 -7.208 3.217 37 HD2 ARG 7 HD2 ARG 7 1.998 -8.722 1.173 38 HD3 ARG 7 HD1 ARG 7 3.587 -9.223 1.740 39 HE ARG 7 HE ARG 7 2.017 -8.836 4.008 40 HH11 ARG 7 1HH2 ARG 7 2.059 -10.805 1.164 41 HH12 ARG 7 2HH2 ARG 7 1.268 -12.150 1.916 42 HH21 ARG 7 1HH1 ARG 7 0.978 -10.595 5.000 43 HH22 ARG 7 2HH1 ARG 7 0.656 -12.030 4.088 44 H CYS 8 H CYS 8 0.753 -3.358 1.146 45 HA CYS 8 HA CYS 8 -1.497 -2.949 2.610 46 HB2 CYS 8 HB2 CYS 8 -0.115 -1.389 0.900 47 HB3 CYS 8 HB1 CYS 8 -1.567 -1.660 -0.061 48 H ARG 9 H ARG 9 -3.736 -2.850 2.196 49 HA ARG 9 HA ARG 9 -4.831 -5.153 1.025 50 HB2 ARG 9 HB2 ARG 9 -5.990 -2.548 1.976 51 HB3 ARG 9 HB1 ARG 9 -7.012 -3.740 1.172 52 HG2 ARG 9 HG2 ARG 9 -7.063 -4.062 3.613 53 HG3 ARG 9 HG1 ARG 9 -6.314 -5.447 2.818 54 HD2 ARG 9 HD2 ARG 9 -4.125 -4.743 3.432 55 HD3 ARG 9 HD1 ARG 9 -4.686 -3.138 3.891 56 HE ARG 9 HE ARG 9 -4.866 -5.567 5.487 57 HH11 ARG 9 1HH2 ARG 9 -5.937 -2.326 4.919 58 HH12 ARG 9 2HH2 ARG 9 -6.483 -2.075 6.544 59 HH21 ARG 9 1HH1 ARG 9 -5.578 -5.245 7.619 60 HH22 ARG 9 2HH1 ARG 9 -6.279 -3.728 8.072 61 H TYR 10 H TYR 10 -4.342 -1.899 -0.228 62 HA TYR 10 HA TYR 10 -5.028 -2.901 -2.916 63 HB2 TYR 10 HB2 TYR 10 -6.243 -0.859 -3.409 64 HB3 TYR 10 HB1 TYR 10 -6.943 -1.604 -1.970 65 HD1 TYR 10 HD1 TYR 10 -6.259 -0.751 0.316 66 HD2 TYR 10 HD2 TYR 10 -5.253 1.303 -3.321 67 HE1 TYR 10 HE1 TYR 10 -5.821 1.321 1.606 68 HE2 TYR 10 HE2 TYR 10 -4.811 3.373 -2.029 69 HH TYR 10 HH TYR 10 -4.955 3.392 1.515 70 H ARG 11 H ARG 11 -4.035 -1.710 -4.645 71 HA ARG 11 HA ARG 11 -1.360 -0.887 -4.025 72 HB2 ARG 11 HB2 ARG 11 -2.989 -1.191 -6.516 73 HB3 ARG 11 HB1 ARG 11 -1.500 -0.249 -6.584 74 HG2 ARG 11 HG2 ARG 11 -1.047 -2.597 -7.140 75 HG3 ARG 11 HG1 ARG 11 -0.256 -2.168 -5.624 76 HD2 ARG 11 HD2 ARG 11 -1.964 -3.254 -4.331 77 HD3 ARG 11 HD1 ARG 11 -2.992 -3.455 -5.747 78 HE ARG 11 HE ARG 11 -0.604 -4.779 -6.303 79 HH11 ARG 11 1HH2 ARG 11 -3.187 -4.902 -4.003 80 HH12 ARG 11 2HH2 ARG 11 -3.056 -6.608 -3.740 81 HH21 ARG 11 1HH1 ARG 11 -0.427 -7.019 -5.964 82 HH22 ARG 11 2HH1 ARG 11 -1.493 -7.807 -4.850 83 H ABA 12 H ABA 12 -0.568 1.109 -3.734 84 HA ABA 12 HA ABA 12 -2.436 3.366 -3.860 85 HB3 ABA 12 HB1 ABA 12 -0.042 4.326 -2.891 86 HB2 ABA 12 HB2 ABA 12 -0.065 2.670 -2.286 87 HG1 ABA 12 HG ABA 12 -2.680 3.939 -1.840 88 H ARG 13 H ARG 13 -0.464 1.901 -5.975 89 HA ARG 13 HA ARG 13 0.874 4.267 -7.031 90 HB2 ARG 13 HB2 ARG 13 0.748 1.607 -8.424 91 HB3 ARG 13 HB1 ARG 13 2.034 2.815 -8.450 92 HG2 ARG 13 HG2 ARG 13 1.266 1.062 -6.098 93 HG3 ARG 13 HG1 ARG 13 2.731 0.933 -7.069 94 HD2 ARG 13 HD2 ARG 13 3.269 3.316 -6.387 95 HD3 ARG 13 HD1 ARG 13 1.939 3.203 -5.238 96 HE ARG 13 HE ARG 13 3.692 1.002 -4.886 97 HH11 ARG 13 1HH2 ARG 13 3.439 4.423 -4.434 98 HH12 ARG 13 2HH2 ARG 13 4.517 4.463 -3.079 99 HH21 ARG 13 1HH1 ARG 13 5.108 1.046 -3.110 100 HH22 ARG 13 2HH1 ARG 13 5.463 2.552 -2.329 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 3.942 3.739 5.463 2 H2 GLY 1 HT2 GLY 1 3.194 5.173 5.983 3 H3 GLY 1 HT3 GLY 1 4.505 5.238 4.903 4 HA2 GLY 1 HA2 GLY 1 1.797 5.135 4.287 5 HA3 GLY 1 HA1 GLY 1 3.161 5.092 3.168 6 H CYS 2 H CYS 2 0.615 3.313 4.578 7 HA CYS 2 HA CYS 2 1.546 0.671 4.328 8 HB2 CYS 2 HB2 CYS 2 -0.512 1.222 5.530 9 HB3 CYS 2 HB1 CYS 2 -1.267 1.753 4.028 10 H ABA 3 H ABA 3 -0.288 2.679 2.059 11 HA ABA 3 HA ABA 3 -0.682 0.943 -0.009 12 HB3 ABA 3 HB1 ABA 3 -0.364 2.931 -1.518 13 HB2 ABA 3 HB2 ABA 3 0.120 3.849 -0.090 14 HG1 ABA 3 HG ABA 3 -2.344 2.651 0.648 15 H SER 4 H SER 4 2.268 2.859 0.568 16 HA SER 4 HA SER 4 3.730 1.899 -1.634 17 HB2 SER 4 HB2 SER 4 4.660 2.927 1.055 18 HB3 SER 4 HB1 SER 4 5.732 2.611 -0.306 19 HG SER 4 HG SER 4 4.131 4.729 0.167 20 H ASP 5 H ASP 5 3.400 0.712 1.682 21 HA ASP 5 HA ASP 5 5.287 -1.400 1.351 22 HB2 ASP 5 HB2 ASP 5 3.144 -0.881 3.408 23 HB3 ASP 5 HB1 ASP 5 4.233 -2.265 3.484 24 HA PRO 6 HA PRO 6 2.789 -4.371 -0.794 25 HB2 PRO 6 HB2 PRO 6 3.876 -6.698 0.184 26 HB3 PRO 6 HB1 PRO 6 4.642 -5.703 -1.070 27 HG2 PRO 6 HG2 PRO 6 5.224 -5.875 1.842 28 HG3 PRO 6 HG1 PRO 6 6.331 -5.653 0.477 29 HD2 PRO 6 HD2 PRO 6 5.559 -3.610 2.107 30 HD3 PRO 6 HD1 PRO 6 6.005 -3.378 0.402 31 H ARG 7 H ARG 7 2.844 -4.164 2.624 32 HA ARG 7 HA ARG 7 1.119 -6.285 3.322 33 HB2 ARG 7 HB2 ARG 7 0.836 -5.145 5.423 34 HB3 ARG 7 HB1 ARG 7 2.512 -4.930 4.916 35 HG2 ARG 7 HG2 ARG 7 1.782 -2.728 3.868 36 HG3 ARG 7 HG1 ARG 7 0.252 -2.928 4.719 37 HD2 ARG 7 HD2 ARG 7 2.978 -2.882 6.038 38 HD3 ARG 7 HD1 ARG 7 1.845 -1.535 6.008 39 HE ARG 7 HE ARG 7 1.620 -3.960 7.609 40 HH11 ARG 7 1HH2 ARG 7 0.130 -1.120 6.307 41 HH12 ARG 7 2HH2 ARG 7 -1.136 -1.076 7.487 42 HH21 ARG 7 1HH1 ARG 7 -0.039 -3.908 9.161 43 HH22 ARG 7 2HH1 ARG 7 -1.233 -2.653 9.102 44 H CYS 8 H CYS 8 0.543 -3.188 1.853 45 HA CYS 8 HA CYS 8 -2.264 -3.061 2.514 46 HB2 CYS 8 HB2 CYS 8 -0.311 -1.376 1.215 47 HB3 CYS 8 HB1 CYS 8 -1.795 -1.457 0.269 48 H ARG 9 H ARG 9 -3.939 -3.888 1.440 49 HA ARG 9 HA ARG 9 -3.590 -5.850 -0.557 50 HB2 ARG 9 HB2 ARG 9 -6.062 -4.342 0.327 51 HB3 ARG 9 HB1 ARG 9 -6.087 -5.725 -0.765 52 HG2 ARG 9 HG2 ARG 9 -4.888 -5.793 2.023 53 HG3 ARG 9 HG1 ARG 9 -6.517 -6.349 1.638 54 HD2 ARG 9 HD2 ARG 9 -5.428 -8.359 1.390 55 HD3 ARG 9 HD1 ARG 9 -5.155 -7.729 -0.229 56 HE ARG 9 HE ARG 9 -2.903 -7.525 0.288 57 HH11 ARG 9 1HH2 ARG 9 -4.809 -7.894 3.152 58 HH12 ARG 9 2HH2 ARG 9 -3.444 -8.051 4.207 59 HH21 ARG 9 1HH1 ARG 9 -1.107 -7.729 1.665 60 HH22 ARG 9 2HH1 ARG 9 -1.349 -7.957 3.364 61 H TYR 10 H TYR 10 -4.463 -2.425 -0.722 62 HA TYR 10 HA TYR 10 -4.186 -2.566 -3.669 63 HB2 TYR 10 HB2 TYR 10 -5.842 -0.740 -3.815 64 HB3 TYR 10 HB1 TYR 10 -6.530 -2.186 -3.077 65 HD1 TYR 10 HD2 TYR 10 -6.966 -2.284 -0.655 66 HD2 TYR 10 HD1 TYR 10 -5.447 1.275 -2.516 67 HE1 TYR 10 HE2 TYR 10 -7.545 -0.977 1.372 68 HE2 TYR 10 HE1 TYR 10 -6.023 2.583 -0.490 69 HH TYR 10 HH TYR 10 -6.465 2.282 1.826 70 H ARG 11 H ARG 11 -3.255 -0.731 -4.693 71 HA ARG 11 HA ARG 11 -1.268 0.604 -3.057 72 HB2 ARG 11 HB2 ARG 11 -1.850 0.661 -6.024 73 HB3 ARG 11 HB1 ARG 11 -0.539 1.566 -5.265 74 HG2 ARG 11 HG2 ARG 11 0.334 -0.586 -4.326 75 HG3 ARG 11 HG1 ARG 11 -0.907 -1.443 -5.242 76 HD2 ARG 11 HD2 ARG 11 1.156 0.395 -6.481 77 HD3 ARG 11 HD1 ARG 11 1.315 -1.351 -6.405 78 HE ARG 11 HE ARG 11 -0.498 -1.545 -7.956 79 HH11 ARG 11 1HH2 ARG 11 0.392 1.711 -7.180 80 HH12 ARG 11 2HH2 ARG 11 -0.419 2.402 -8.541 81 HH21 ARG 11 1HH1 ARG 11 -1.568 -0.640 -9.743 82 HH22 ARG 11 2HH1 ARG 11 -1.530 1.074 -9.992 83 H ABA 12 H ABA 12 -0.915 2.963 -3.239 84 HA ABA 12 HA ABA 12 -3.490 4.416 -3.284 85 HB3 ABA 12 HB1 ABA 12 -2.357 6.055 -1.780 86 HB2 ABA 12 HB2 ABA 12 -0.952 5.031 -1.768 87 HG1 ABA 12 HG ABA 12 -3.653 4.365 -0.520 88 H ARG 13 H ARG 13 -3.167 6.828 -3.759 89 HA ARG 13 HA ARG 13 -1.004 7.428 -5.607 90 HB2 ARG 13 HB2 ARG 13 -2.463 6.424 -7.202 91 HB3 ARG 13 HB1 ARG 13 -3.884 7.197 -6.495 92 HG2 ARG 13 HG2 ARG 13 -3.134 8.311 -8.617 93 HG3 ARG 13 HG1 ARG 13 -3.107 9.396 -7.235 94 HD2 ARG 13 HD2 ARG 13 -0.735 9.212 -7.016 95 HD3 ARG 13 HD1 ARG 13 -0.671 7.833 -8.110 96 HE ARG 13 HE ARG 13 -1.737 9.944 -9.571 97 HH11 ARG 13 1HH2 ARG 13 1.152 9.212 -7.813 98 HH12 ARG 13 2HH2 ARG 13 2.170 10.200 -8.804 99 HH21 ARG 13 1HH1 ARG 13 -0.407 11.243 -10.876 100 HH22 ARG 13 2HH1 ARG 13 1.288 11.350 -10.539
Contact the webmaster for help, if required. Monday, June 3, 2024 8:48:24 AM GMT (wattos1)