NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
636600 | 6qkf | 34357 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 HT1 ARG 1 0.554 -0.895 -11.537 2 H2 ARG 1 HT2 ARG 1 -0.905 -1.304 -12.277 3 H3 ARG 1 HT3 ARG 1 0.227 -2.507 -11.928 4 HA ARG 1 HA ARG 1 -1.332 -0.900 -10.002 5 HB2 ARG 1 HB2 ARG 1 -1.318 -3.849 -10.658 6 HB3 ARG 1 HB1 ARG 1 -2.183 -3.142 -9.301 7 HG2 ARG 1 HG2 ARG 1 -3.552 -1.837 -10.819 8 HG3 ARG 1 HG1 ARG 1 -2.658 -2.476 -12.199 9 HD2 ARG 1 HD2 ARG 1 -3.433 -4.718 -11.693 10 HD3 ARG 1 HD1 ARG 1 -4.258 -4.129 -10.250 11 HE ARG 1 HE ARG 1 -5.316 -2.652 -12.289 12 HH11 ARG 1 HH11 ARG 1 -4.986 -6.074 -11.650 13 HH12 ARG 1 HH12 ARG 1 -6.450 -6.506 -12.471 14 HH21 ARG 1 HH21 ARG 1 -7.260 -3.217 -13.373 15 HH22 ARG 1 HH22 ARG 1 -7.745 -4.880 -13.444 16 H GLY 2 HN GLY 2 1.466 -2.934 -10.529 17 HA2 GLY 2 HA2 GLY 2 3.383 -2.962 -9.218 18 HA3 GLY 2 HA1 GLY 2 2.522 -2.062 -7.979 19 H GLY 3 HN GLY 3 0.624 -3.433 -7.018 20 HA2 GLY 3 HA2 GLY 3 0.385 -6.091 -6.823 21 HA3 GLY 3 HA1 GLY 3 1.881 -5.821 -5.936 22 H ARG 4 HN ARG 4 1.615 -3.795 -4.404 23 HA ARG 4 HA ARG 4 -0.991 -3.959 -3.057 24 HB2 ARG 4 HB2 ARG 4 0.186 -3.736 -0.881 25 HB3 ARG 4 HB1 ARG 4 0.550 -5.241 -1.708 26 HG2 ARG 4 HG2 ARG 4 2.683 -4.317 -2.458 27 HG3 ARG 4 HG1 ARG 4 2.316 -2.804 -1.629 28 HD2 ARG 4 HD2 ARG 4 3.789 -4.130 -0.257 29 HD3 ARG 4 HD1 ARG 4 2.202 -4.039 0.503 30 HE ARG 4 HE ARG 4 2.140 -6.347 -0.961 31 HH11 ARG 4 HH11 ARG 4 4.220 -5.073 1.550 32 HH12 ARG 4 HH12 ARG 4 4.599 -6.633 2.204 33 HH21 ARG 4 HH21 ARG 4 2.644 -8.411 -0.091 34 HH22 ARG 4 HH22 ARG 4 3.708 -8.526 1.272 35 H LEU 5 HN LEU 5 -1.891 -2.053 -2.560 36 HA LEU 5 HA LEU 5 -0.273 0.361 -3.049 37 HB2 LEU 5 HB2 LEU 5 -3.219 -0.073 -3.558 38 HB3 LEU 5 HB1 LEU 5 -2.377 1.450 -3.767 39 HG LEU 5 HG LEU 5 -1.822 -1.069 -5.338 40 HD11 LEU 5 HD11 LEU 5 -3.998 -0.096 -5.866 41 HD12 LEU 5 HD12 LEU 5 -2.860 0.104 -7.197 42 HD13 LEU 5 HD13 LEU 5 -3.233 1.468 -6.144 43 HD21 LEU 5 HD21 LEU 5 0.162 0.309 -5.102 44 HD22 LEU 5 HD22 LEU 5 -0.742 1.734 -5.617 45 HD23 LEU 5 HD23 LEU 5 -0.461 0.411 -6.749 46 H CYS 6 HN CYS 6 0.013 1.579 -1.310 47 HA CYS 6 HA CYS 6 -1.910 1.302 0.900 48 HB2 CYS 6 HB2 CYS 6 0.947 2.246 1.141 49 HB3 CYS 6 HB1 CYS 6 -0.139 1.771 2.437 50 H TYR 7 HN TYR 7 -3.137 3.015 1.264 51 HA TYR 7 HA TYR 7 -2.198 5.636 0.304 52 HB2 TYR 7 HB2 TYR 7 -5.038 4.623 0.555 53 HB3 TYR 7 HB1 TYR 7 -4.581 6.247 0.052 54 HD1 TYR 7 HD1 TYR 7 -3.174 6.471 -2.077 55 HD2 TYR 7 HD2 TYR 7 -5.240 2.907 -1.016 56 HE1 TYR 7 HE1 TYR 7 -3.078 5.726 -4.417 57 HE2 TYR 7 HE2 TYR 7 -5.148 2.151 -3.354 58 HH TYR 7 HH TYR 7 -3.162 3.599 -5.679 59 H CYS 8 HN CYS 8 -1.740 7.023 1.858 60 HA CYS 8 HA CYS 8 -3.029 6.681 4.477 61 HB2 CYS 8 HB2 CYS 8 -0.525 8.253 3.852 62 HB3 CYS 8 HB1 CYS 8 -1.150 7.847 5.442 63 H ARG 9 HN ARG 9 -4.494 8.153 5.072 64 HA ARG 9 HA ARG 9 -4.476 10.745 3.675 65 HB2 ARG 9 HB2 ARG 9 -6.257 9.065 2.917 66 HB3 ARG 9 HB1 ARG 9 -6.991 9.303 4.496 67 HG2 ARG 9 HG2 ARG 9 -8.097 10.704 2.896 68 HG3 ARG 9 HG1 ARG 9 -7.173 11.722 4.004 69 HD2 ARG 9 HD2 ARG 9 -6.945 12.434 1.655 70 HD3 ARG 9 HD1 ARG 9 -5.406 11.960 2.369 71 HE ARG 9 HE ARG 9 -6.907 10.012 0.771 72 HH11 ARG 9 HH11 ARG 9 -4.113 12.092 1.141 73 HH12 ARG 9 HH12 ARG 9 -3.203 11.305 -0.104 74 HH21 ARG 9 HH21 ARG 9 -5.712 8.980 -0.876 75 HH22 ARG 9 HH22 ARG 9 -4.117 9.543 -1.263 76 H GLY 10 HN GLY 10 -3.412 11.667 5.477 77 HA2 GLY 10 HA2 GLY 10 -3.636 13.111 7.285 78 HA3 GLY 10 HA1 GLY 10 -5.262 12.494 7.549 79 H TRP 11 HN TRP 11 -5.567 11.191 9.244 80 HA TRP 11 HA TRP 11 -3.159 10.074 10.523 81 HB2 TRP 11 HB2 TRP 11 -5.819 10.851 11.733 82 HB3 TRP 11 HB1 TRP 11 -4.525 10.047 12.615 83 HD1 TRP 11 HD1 TRP 11 -5.705 13.433 11.558 84 HE1 TRP 11 HE1 TRP 11 -4.003 15.225 12.280 85 HE3 TRP 11 HE3 TRP 11 -1.836 10.378 12.913 86 HZ2 TRP 11 HZ2 TRP 11 -1.376 15.327 13.293 87 HZ3 TRP 11 HZ3 TRP 11 0.238 11.404 13.750 88 HH2 TRP 11 HH2 TRP 11 0.461 13.829 13.935 89 H ILE 12 HN ILE 12 -5.012 8.988 8.376 90 HA ILE 12 HA ILE 12 -5.209 6.330 9.575 91 HB ILE 12 HB ILE 12 -7.483 7.054 9.667 92 HG12 ILE 12 HG12 ILE 12 -7.123 5.371 7.177 93 HG13 ILE 12 HG11 ILE 12 -7.126 4.762 8.830 94 HG21 ILE 12 HG21 ILE 12 -7.196 7.903 6.792 95 HG22 ILE 12 HG22 ILE 12 -7.359 8.966 8.189 96 HG23 ILE 12 HG23 ILE 12 -8.697 7.918 7.719 97 HD11 ILE 12 HD11 ILE 12 -9.251 4.355 7.743 98 HD12 ILE 12 HD12 ILE 12 -9.438 6.079 7.423 99 HD13 ILE 12 HD13 ILE 12 -9.446 5.485 9.082 100 H CYS 13 HN CYS 13 -4.275 4.825 8.325 101 HA CYS 13 HA CYS 13 -4.033 5.370 5.458 102 HB2 CYS 13 HB2 CYS 13 -1.907 6.015 6.556 103 HB3 CYS 13 HB1 CYS 13 -1.763 4.378 7.189 104 H PHE 14 HN PHE 14 -4.590 3.735 4.237 105 HA PHE 14 HA PHE 14 -4.708 1.045 5.434 106 HB2 PHE 14 HB2 PHE 14 -6.757 0.627 4.145 107 HB3 PHE 14 HB1 PHE 14 -6.973 1.991 5.236 108 HD1 PHE 14 HD1 PHE 14 -6.804 0.907 1.778 109 HD2 PHE 14 HD2 PHE 14 -7.097 4.272 4.363 110 HE1 PHE 14 HE1 PHE 14 -7.509 2.293 -0.119 111 HE2 PHE 14 HE2 PHE 14 -7.808 5.670 2.473 112 HZ PHE 14 HZ PHE 14 -8.017 4.683 0.224 113 H CYS 15 HN CYS 15 -4.391 -0.704 3.934 114 HA CYS 15 HA CYS 15 -3.266 0.071 1.354 115 HB2 CYS 15 HB2 CYS 15 -1.414 -0.078 3.046 116 HB3 CYS 15 HB1 CYS 15 -1.822 -1.777 3.261 117 H VAL 16 HN VAL 16 -3.733 -1.319 -0.254 118 HA VAL 16 HA VAL 16 -5.092 -3.819 0.518 119 HB VAL 16 HB VAL 16 -6.521 -3.566 -1.490 120 HG11 VAL 16 HG11 VAL 16 -6.649 -1.267 0.459 121 HG12 VAL 16 HG12 VAL 16 -7.352 -2.868 0.686 122 HG13 VAL 16 HG13 VAL 16 -7.968 -1.807 -0.579 123 HG21 VAL 16 HG21 VAL 16 -5.286 -0.815 -1.666 124 HG22 VAL 16 HG22 VAL 16 -6.662 -1.388 -2.611 125 HG23 VAL 16 HG23 VAL 16 -5.074 -2.127 -2.829 126 H GLY 17 HN GLY 17 -4.581 -5.648 -0.542 127 HA2 GLY 17 HA2 GLY 17 -2.531 -5.446 -2.658 128 HA3 GLY 17 HA1 GLY 17 -2.585 -6.739 -1.466 129 H ARG 18 HN ARG 18 -2.631 -6.923 -4.385 130 HA ARG 18 HA ARG 18 -5.309 -8.093 -4.755 131 HB2 ARG 18 HB2 ARG 18 -3.473 -6.930 -6.853 132 HB3 ARG 18 HB1 ARG 18 -5.032 -7.681 -7.167 133 HG2 ARG 18 HG2 ARG 18 -4.568 -5.180 -5.560 134 HG3 ARG 18 HG1 ARG 18 -5.193 -5.256 -7.205 135 HD2 ARG 18 HD2 ARG 18 -7.126 -6.536 -6.392 136 HD3 ARG 18 HD1 ARG 18 -6.499 -6.418 -4.749 137 HE ARG 18 HE ARG 18 -7.049 -3.950 -6.226 138 HH11 ARG 18 HH11 ARG 18 -7.919 -6.175 -3.664 139 HH12 ARG 18 HH12 ARG 18 -8.946 -5.037 -2.852 140 HH21 ARG 18 HH21 ARG 18 -8.411 -2.459 -5.175 141 HH22 ARG 18 HH22 ARG 18 -9.233 -2.920 -3.720 Start of MODEL 2 1 H1 ARG 1 HT1 ARG 1 8.169 -2.040 -7.975 2 H2 ARG 1 HT2 ARG 1 8.440 -2.809 -9.454 3 H3 ARG 1 HT3 ARG 1 8.329 -3.720 -8.036 4 HA ARG 1 HA ARG 1 6.132 -2.113 -9.187 5 HB2 ARG 1 HB2 ARG 1 6.466 -5.120 -9.129 6 HB3 ARG 1 HB1 ARG 1 5.109 -4.238 -9.806 7 HG2 ARG 1 HG2 ARG 1 6.706 -3.215 -11.441 8 HG3 ARG 1 HG1 ARG 1 7.931 -4.332 -10.834 9 HD2 ARG 1 HD2 ARG 1 6.967 -5.312 -12.783 10 HD3 ARG 1 HD1 ARG 1 6.374 -6.209 -11.387 11 HE ARG 1 HE ARG 1 4.808 -4.187 -12.863 12 HH11 ARG 1 HH11 ARG 1 4.982 -7.118 -10.940 13 HH12 ARG 1 HH12 ARG 1 3.284 -7.446 -11.074 14 HH21 ARG 1 HH21 ARG 1 2.578 -4.615 -13.018 15 HH22 ARG 1 HH22 ARG 1 1.914 -6.018 -12.245 16 H GLY 2 HN GLY 2 4.012 -3.157 -8.238 17 HA2 GLY 2 HA2 GLY 2 4.367 -4.023 -5.475 18 HA3 GLY 2 HA1 GLY 2 3.523 -2.504 -5.732 19 H GLY 3 HN GLY 3 2.752 -5.307 -4.755 20 HA2 GLY 3 HA2 GLY 3 0.697 -6.053 -6.670 21 HA3 GLY 3 HA1 GLY 3 1.040 -6.852 -5.141 22 H ARG 4 HN ARG 4 0.969 -4.411 -3.606 23 HA ARG 4 HA ARG 4 -1.898 -3.771 -3.763 24 HB2 ARG 4 HB2 ARG 4 -1.865 -3.515 -1.292 25 HB3 ARG 4 HB1 ARG 4 -1.542 -5.159 -1.819 26 HG2 ARG 4 HG2 ARG 4 0.832 -4.844 -1.428 27 HG3 ARG 4 HG1 ARG 4 0.544 -3.168 -0.952 28 HD2 ARG 4 HD2 ARG 4 0.813 -4.680 0.980 29 HD3 ARG 4 HD1 ARG 4 -0.766 -3.896 0.945 30 HE ARG 4 HE ARG 4 -0.914 -6.395 -0.355 31 HH11 ARG 4 HH11 ARG 4 -0.553 -5.043 2.850 32 HH12 ARG 4 HH12 ARG 4 -1.343 -6.370 3.637 33 HH21 ARG 4 HH21 ARG 4 -1.955 -8.148 0.681 34 HH22 ARG 4 HH22 ARG 4 -2.143 -8.128 2.407 35 H LEU 5 HN LEU 5 -2.507 -1.667 -3.157 36 HA LEU 5 HA LEU 5 -0.310 0.286 -3.391 37 HB2 LEU 5 HB2 LEU 5 -3.215 0.647 -4.146 38 HB3 LEU 5 HB1 LEU 5 -1.922 1.804 -4.402 39 HG LEU 5 HG LEU 5 -2.158 -0.889 -5.750 40 HD11 LEU 5 HD11 LEU 5 -2.600 0.412 -7.770 41 HD12 LEU 5 HD12 LEU 5 -2.579 1.897 -6.819 42 HD13 LEU 5 HD13 LEU 5 -3.831 0.688 -6.539 43 HD21 LEU 5 HD21 LEU 5 -0.168 1.339 -6.157 44 HD22 LEU 5 HD22 LEU 5 -0.292 -0.126 -7.131 45 HD23 LEU 5 HD23 LEU 5 0.166 -0.235 -5.432 46 H CYS 6 HN CYS 6 -0.197 1.921 -1.902 47 HA CYS 6 HA CYS 6 -2.019 1.623 0.386 48 HB2 CYS 6 HB2 CYS 6 0.889 2.428 0.332 49 HB3 CYS 6 HB1 CYS 6 -0.122 2.435 1.773 50 H TYR 7 HN TYR 7 -3.018 3.352 1.199 51 HA TYR 7 HA TYR 7 -2.256 6.009 0.185 52 HB2 TYR 7 HB2 TYR 7 -5.097 5.051 0.604 53 HB3 TYR 7 HB1 TYR 7 -4.600 6.619 -0.016 54 HD1 TYR 7 HD1 TYR 7 -5.305 3.177 -0.820 55 HD2 TYR 7 HD2 TYR 7 -3.518 6.753 -2.275 56 HE1 TYR 7 HE1 TYR 7 -5.397 2.283 -3.106 57 HE2 TYR 7 HE2 TYR 7 -3.607 5.868 -4.570 58 HH TYR 7 HH TYR 7 -5.450 3.173 -5.425 59 H CYS 8 HN CYS 8 -1.990 7.478 1.770 60 HA CYS 8 HA CYS 8 -2.914 6.738 4.459 61 HB2 CYS 8 HB2 CYS 8 -0.737 8.688 3.683 62 HB3 CYS 8 HB1 CYS 8 -1.173 8.226 5.321 63 H ARG 9 HN ARG 9 -4.584 7.836 5.231 64 HA ARG 9 HA ARG 9 -5.204 10.442 4.009 65 HB2 ARG 9 HB2 ARG 9 -6.635 8.560 3.191 66 HB3 ARG 9 HB1 ARG 9 -7.198 8.328 4.839 67 HG2 ARG 9 HG2 ARG 9 -8.138 10.589 4.829 68 HG3 ARG 9 HG1 ARG 9 -7.590 10.799 3.164 69 HD2 ARG 9 HD2 ARG 9 -8.965 8.861 2.504 70 HD3 ARG 9 HD1 ARG 9 -9.559 8.745 4.158 71 HE ARG 9 HE ARG 9 -10.037 11.341 3.238 72 HH11 ARG 9 HH11 ARG 9 -11.076 8.071 2.566 73 HH12 ARG 9 HH12 ARG 9 -12.662 8.538 2.047 74 HH21 ARG 9 HH21 ARG 9 -12.119 11.974 2.541 75 HH22 ARG 9 HH22 ARG 9 -13.250 10.768 2.017 76 H GLY 10 HN GLY 10 -4.327 11.593 5.730 77 HA2 GLY 10 HA2 GLY 10 -4.596 12.832 7.650 78 HA3 GLY 10 HA1 GLY 10 -6.134 12.023 7.903 79 H TRP 11 HN TRP 11 -6.269 10.406 9.366 80 HA TRP 11 HA TRP 11 -3.851 9.946 10.956 81 HB2 TRP 11 HB2 TRP 11 -5.400 9.290 12.760 82 HB3 TRP 11 HB1 TRP 11 -5.728 10.915 12.169 83 HD1 TRP 11 HD1 TRP 11 -7.279 7.462 12.447 84 HE1 TRP 11 HE1 TRP 11 -9.750 7.584 11.726 85 HE3 TRP 11 HE3 TRP 11 -7.343 12.219 10.568 86 HZ2 TRP 11 HZ2 TRP 11 -11.481 9.448 10.523 87 HZ3 TRP 11 HZ3 TRP 11 -9.450 13.092 9.650 88 HH2 TRP 11 HH2 TRP 11 -11.476 11.734 9.629 89 H ILE 12 HN ILE 12 -5.665 8.410 8.629 90 HA ILE 12 HA ILE 12 -4.810 5.776 9.612 91 HB ILE 12 HB ILE 12 -7.181 5.836 9.955 92 HG12 ILE 12 HG12 ILE 12 -7.951 4.032 8.407 93 HG13 ILE 12 HG11 ILE 12 -6.494 4.280 7.452 94 HG21 ILE 12 HG21 ILE 12 -7.440 6.696 7.081 95 HG22 ILE 12 HG22 ILE 12 -7.764 7.681 8.507 96 HG23 ILE 12 HG23 ILE 12 -8.780 6.284 8.151 97 HD11 ILE 12 HD11 ILE 12 -6.587 3.396 10.325 98 HD12 ILE 12 HD12 ILE 12 -5.129 3.629 9.361 99 HD13 ILE 12 HD13 ILE 12 -6.281 2.365 8.928 100 H CYS 13 HN CYS 13 -3.565 4.704 8.260 101 HA CYS 13 HA CYS 13 -3.720 5.347 5.397 102 HB2 CYS 13 HB2 CYS 13 -1.601 6.136 6.451 103 HB3 CYS 13 HB1 CYS 13 -1.251 4.476 6.919 104 H PHE 14 HN PHE 14 -4.209 3.712 4.116 105 HA PHE 14 HA PHE 14 -4.067 0.984 5.197 106 HB2 PHE 14 HB2 PHE 14 -6.348 0.537 4.420 107 HB3 PHE 14 HB1 PHE 14 -6.341 1.853 5.589 108 HD1 PHE 14 HD1 PHE 14 -7.011 0.877 2.178 109 HD2 PHE 14 HD2 PHE 14 -6.705 4.178 4.835 110 HE1 PHE 14 HE1 PHE 14 -8.198 2.282 0.553 111 HE2 PHE 14 HE2 PHE 14 -7.899 5.598 3.217 112 HZ PHE 14 HZ PHE 14 -8.648 4.649 1.071 113 H CYS 15 HN CYS 15 -4.089 -0.683 3.586 114 HA CYS 15 HA CYS 15 -3.307 0.299 0.923 115 HB2 CYS 15 HB2 CYS 15 -2.266 -2.201 2.256 116 HB3 CYS 15 HB1 CYS 15 -1.733 -1.518 0.727 117 H VAL 16 HN VAL 16 -4.228 -0.608 -0.821 118 HA VAL 16 HA VAL 16 -6.118 -2.825 -0.351 119 HB VAL 16 HB VAL 16 -7.401 -1.973 -2.310 120 HG11 VAL 16 HG11 VAL 16 -8.070 -1.430 -0.012 121 HG12 VAL 16 HG12 VAL 16 -8.481 -0.140 -1.142 122 HG13 VAL 16 HG13 VAL 16 -7.082 0.030 -0.083 123 HG21 VAL 16 HG21 VAL 16 -7.001 0.325 -3.080 124 HG22 VAL 16 HG22 VAL 16 -5.629 -0.730 -3.415 125 HG23 VAL 16 HG23 VAL 16 -5.560 0.404 -2.067 126 H GLY 17 HN GLY 17 -6.268 -4.429 -1.966 127 HA2 GLY 17 HA2 GLY 17 -4.570 -4.317 -4.292 128 HA3 GLY 17 HA1 GLY 17 -4.007 -5.442 -3.064 129 H ARG 18 HN ARG 18 -5.433 -5.505 -5.867 130 HA ARG 18 HA ARG 18 -6.988 -7.879 -5.210 131 HB2 ARG 18 HB2 ARG 18 -8.534 -5.862 -5.335 132 HB3 ARG 18 HB1 ARG 18 -8.117 -5.756 -7.040 133 HG2 ARG 18 HG2 ARG 18 -10.170 -6.916 -6.906 134 HG3 ARG 18 HG1 ARG 18 -8.935 -8.120 -7.280 135 HD2 ARG 18 HD2 ARG 18 -10.422 -8.993 -5.589 136 HD3 ARG 18 HD1 ARG 18 -8.833 -8.708 -4.881 137 HE ARG 18 HE ARG 18 -10.776 -6.568 -4.584 138 HH11 ARG 18 HH11 ARG 18 -9.232 -9.359 -3.146 139 HH12 ARG 18 HH12 ARG 18 -9.664 -8.921 -1.526 140 HH21 ARG 18 HH21 ARG 18 -11.346 -5.988 -2.451 141 HH22 ARG 18 HH22 ARG 18 -10.879 -7.014 -1.132 Start of MODEL 3 1 H1 ARG 1 HT1 ARG 1 1.215 -11.425 -8.354 2 H2 ARG 1 HT2 ARG 1 1.465 -12.567 -9.573 3 H3 ARG 1 HT3 ARG 1 -0.038 -12.462 -8.808 4 HA ARG 1 HA ARG 1 1.186 -10.358 -10.486 5 HB2 ARG 1 HB2 ARG 1 0.469 -12.279 -11.821 6 HB3 ARG 1 HB1 ARG 1 -1.110 -12.244 -11.052 7 HG2 ARG 1 HG2 ARG 1 -1.223 -11.268 -13.259 8 HG3 ARG 1 HG1 ARG 1 -1.530 -10.037 -12.033 9 HD2 ARG 1 HD2 ARG 1 -0.078 -9.137 -13.735 10 HD3 ARG 1 HD1 ARG 1 0.819 -9.306 -12.230 11 HE ARG 1 HE ARG 1 1.099 -11.581 -13.946 12 HH11 ARG 1 HH11 ARG 1 2.267 -8.333 -13.363 13 HH12 ARG 1 HH12 ARG 1 3.816 -8.625 -14.092 14 HH21 ARG 1 HH21 ARG 1 3.132 -11.959 -14.916 15 HH22 ARG 1 HH22 ARG 1 4.306 -10.683 -14.970 16 H GLY 2 HN GLY 2 0.554 -8.432 -9.824 17 HA2 GLY 2 HA2 GLY 2 -1.933 -7.404 -9.753 18 HA3 GLY 2 HA1 GLY 2 -1.788 -8.122 -8.155 19 H GLY 3 HN GLY 3 -0.205 -7.322 -6.709 20 HA2 GLY 3 HA2 GLY 3 1.733 -5.682 -6.581 21 HA3 GLY 3 HA1 GLY 3 0.623 -4.562 -7.358 22 H ARG 4 HN ARG 4 0.806 -3.133 -5.572 23 HA ARG 4 HA ARG 4 -1.230 -3.595 -3.630 24 HB2 ARG 4 HB2 ARG 4 0.202 -3.265 -1.630 25 HB3 ARG 4 HB1 ARG 4 0.491 -4.788 -2.454 26 HG2 ARG 4 HG2 ARG 4 2.500 -3.833 -3.495 27 HG3 ARG 4 HG1 ARG 4 2.214 -2.322 -2.624 28 HD2 ARG 4 HD2 ARG 4 2.381 -3.521 -0.499 29 HD3 ARG 4 HD1 ARG 4 2.679 -5.023 -1.370 30 HE ARG 4 HE ARG 4 4.573 -3.043 -2.101 31 HH11 ARG 4 HH11 ARG 4 3.716 -5.247 0.465 32 HH12 ARG 4 HH12 ARG 4 5.328 -5.369 1.088 33 HH21 ARG 4 HH21 ARG 4 6.727 -3.205 -1.292 34 HH22 ARG 4 HH22 ARG 4 7.041 -4.217 0.082 35 H LEU 5 HN LEU 5 -2.139 -1.757 -3.036 36 HA LEU 5 HA LEU 5 -0.707 0.753 -3.637 37 HB2 LEU 5 HB2 LEU 5 -3.682 0.221 -3.730 38 HB3 LEU 5 HB1 LEU 5 -2.911 1.762 -4.055 39 HG LEU 5 HG LEU 5 -2.527 -0.737 -5.708 40 HD11 LEU 5 HD11 LEU 5 -3.901 0.380 -7.378 41 HD12 LEU 5 HD12 LEU 5 -4.159 1.732 -6.277 42 HD13 LEU 5 HD13 LEU 5 -4.806 0.140 -5.883 43 HD21 LEU 5 HD21 LEU 5 -1.646 2.111 -6.158 44 HD22 LEU 5 HD22 LEU 5 -1.471 0.789 -7.311 45 HD23 LEU 5 HD23 LEU 5 -0.597 0.745 -5.779 46 H CYS 6 HN CYS 6 -0.236 1.893 -1.868 47 HA CYS 6 HA CYS 6 -1.827 1.378 0.555 48 HB2 CYS 6 HB2 CYS 6 1.005 2.425 0.427 49 HB3 CYS 6 HB1 CYS 6 0.131 1.906 1.861 50 H TYR 7 HN TYR 7 -3.054 2.993 1.245 51 HA TYR 7 HA TYR 7 -2.396 5.732 0.362 52 HB2 TYR 7 HB2 TYR 7 -5.096 4.586 1.129 53 HB3 TYR 7 HB1 TYR 7 -4.791 6.233 0.596 54 HD1 TYR 7 HD1 TYR 7 -5.027 2.723 -0.461 55 HD2 TYR 7 HD2 TYR 7 -4.460 6.743 -1.740 56 HE1 TYR 7 HE1 TYR 7 -5.441 2.037 -2.786 57 HE2 TYR 7 HE2 TYR 7 -4.871 6.064 -4.065 58 HH TYR 7 HH TYR 7 -6.153 3.009 -4.888 59 H CYS 8 HN CYS 8 -1.633 6.957 1.958 60 HA CYS 8 HA CYS 8 -2.785 6.622 4.645 61 HB2 CYS 8 HB2 CYS 8 -0.481 5.662 4.491 62 HB3 CYS 8 HB1 CYS 8 0.109 7.250 4.026 63 H ARG 9 HN ARG 9 -3.770 8.415 5.272 64 HA ARG 9 HA ARG 9 -2.716 11.022 4.522 65 HB2 ARG 9 HB2 ARG 9 -4.182 10.386 2.644 66 HB3 ARG 9 HB1 ARG 9 -5.507 10.124 3.771 67 HG2 ARG 9 HG2 ARG 9 -5.415 12.504 4.385 68 HG3 ARG 9 HG1 ARG 9 -4.150 12.745 3.180 69 HD2 ARG 9 HD2 ARG 9 -6.933 11.731 2.619 70 HD3 ARG 9 HD1 ARG 9 -6.377 13.381 2.342 71 HE ARG 9 HE ARG 9 -4.659 12.179 0.829 72 HH11 ARG 9 HH11 ARG 9 -8.007 11.254 1.265 73 HH12 ARG 9 HH12 ARG 9 -8.151 10.549 -0.313 74 HH21 ARG 9 HH21 ARG 9 -4.846 11.264 -1.248 75 HH22 ARG 9 HH22 ARG 9 -6.351 10.557 -1.746 76 H GLY 10 HN GLY 10 -2.572 11.922 6.482 77 HA2 GLY 10 HA2 GLY 10 -3.294 12.911 8.431 78 HA3 GLY 10 HA1 GLY 10 -4.940 12.527 7.950 79 H TRP 11 HN TRP 11 -5.988 11.018 9.075 80 HA TRP 11 HA TRP 11 -4.392 9.368 10.918 81 HB2 TRP 11 HB2 TRP 11 -7.222 10.385 11.233 82 HB3 TRP 11 HB1 TRP 11 -6.394 9.329 12.374 83 HD1 TRP 11 HD1 TRP 11 -6.934 12.921 11.590 84 HE1 TRP 11 HE1 TRP 11 -5.439 14.398 13.078 85 HE3 TRP 11 HE3 TRP 11 -3.858 9.306 13.483 86 HZ2 TRP 11 HZ2 TRP 11 -3.244 14.069 14.821 87 HZ3 TRP 11 HZ3 TRP 11 -2.079 9.972 15.049 88 HH2 TRP 11 HH2 TRP 11 -1.779 12.305 15.702 89 H ILE 12 HN ILE 12 -5.832 9.080 8.070 90 HA ILE 12 HA ILE 12 -6.668 6.321 8.660 91 HB ILE 12 HB ILE 12 -8.637 7.413 7.915 92 HG12 ILE 12 HG12 ILE 12 -7.434 5.971 5.542 93 HG13 ILE 12 HG11 ILE 12 -8.212 5.198 6.918 94 HG21 ILE 12 HG21 ILE 12 -7.660 9.422 6.982 95 HG22 ILE 12 HG22 ILE 12 -8.785 8.696 5.834 96 HG23 ILE 12 HG23 ILE 12 -7.046 8.508 5.604 97 HD11 ILE 12 HD11 ILE 12 -9.545 7.058 4.964 98 HD12 ILE 12 HD12 ILE 12 -10.321 6.250 6.327 99 HD13 ILE 12 HD13 ILE 12 -9.684 5.300 4.984 100 H CYS 13 HN CYS 13 -5.325 4.870 7.916 101 HA CYS 13 HA CYS 13 -4.005 5.269 5.352 102 HB2 CYS 13 HB2 CYS 13 -2.473 4.541 7.862 103 HB3 CYS 13 HB1 CYS 13 -1.806 4.687 6.239 104 H PHE 14 HN PHE 14 -4.263 3.521 4.187 105 HA PHE 14 HA PHE 14 -4.229 0.884 5.420 106 HB2 PHE 14 HB2 PHE 14 -6.346 0.204 4.424 107 HB3 PHE 14 HB1 PHE 14 -6.614 1.599 5.464 108 HD1 PHE 14 HD1 PHE 14 -6.715 0.313 2.078 109 HD2 PHE 14 HD2 PHE 14 -7.064 3.815 4.474 110 HE1 PHE 14 HE1 PHE 14 -7.774 1.487 0.201 111 HE2 PHE 14 HE2 PHE 14 -8.130 4.994 2.596 112 HZ PHE 14 HZ PHE 14 -8.486 3.832 0.454 113 H CYS 15 HN CYS 15 -3.817 -0.790 3.891 114 HA CYS 15 HA CYS 15 -3.163 0.143 1.196 115 HB2 CYS 15 HB2 CYS 15 -1.082 0.079 2.565 116 HB3 CYS 15 HB1 CYS 15 -1.359 -1.637 2.847 117 H VAL 16 HN VAL 16 -3.737 -1.202 -0.394 118 HA VAL 16 HA VAL 16 -4.829 -3.820 0.407 119 HB VAL 16 HB VAL 16 -6.268 -3.676 -1.625 120 HG11 VAL 16 HG11 VAL 16 -7.863 -2.054 -0.691 121 HG12 VAL 16 HG12 VAL 16 -6.599 -1.451 0.382 122 HG13 VAL 16 HG13 VAL 16 -7.180 -3.108 0.547 123 HG21 VAL 16 HG21 VAL 16 -5.301 -0.819 -1.738 124 HG22 VAL 16 HG22 VAL 16 -6.589 -1.515 -2.721 125 HG23 VAL 16 HG23 VAL 16 -4.930 -2.084 -2.910 126 H GLY 17 HN GLY 17 -4.137 -5.614 -0.636 127 HA2 GLY 17 HA2 GLY 17 -2.099 -5.186 -2.719 128 HA3 GLY 17 HA1 GLY 17 -1.819 -6.269 -1.366 129 H ARG 18 HN ARG 18 -1.823 -6.764 -4.239 130 HA ARG 18 HA ARG 18 -3.820 -8.922 -4.260 131 HB2 ARG 18 HB2 ARG 18 -2.855 -7.215 -6.560 132 HB3 ARG 18 HB1 ARG 18 -3.741 -8.719 -6.781 133 HG2 ARG 18 HG2 ARG 18 -5.648 -7.787 -5.590 134 HG3 ARG 18 HG1 ARG 18 -4.754 -6.289 -5.318 135 HD2 ARG 18 HD2 ARG 18 -5.396 -7.419 -8.036 136 HD3 ARG 18 HD1 ARG 18 -6.363 -6.193 -7.218 137 HE ARG 18 HE ARG 18 -4.030 -4.980 -7.204 138 HH11 ARG 18 HH11 ARG 18 -5.465 -6.861 -9.791 139 HH12 ARG 18 HH12 ARG 18 -4.750 -5.908 -11.051 140 HH21 ARG 18 HH21 ARG 18 -3.069 -3.737 -8.859 141 HH22 ARG 18 HH22 ARG 18 -3.371 -4.140 -10.519 Start of MODEL 4 1 H1 ARG 1 HT1 ARG 1 5.806 -3.659 -4.173 2 H2 ARG 1 HT2 ARG 1 6.797 -3.451 -5.526 3 H3 ARG 1 HT3 ARG 1 7.466 -3.428 -3.973 4 HA ARG 1 HA ARG 1 7.940 -5.503 -5.048 5 HB2 ARG 1 HB2 ARG 1 7.085 -7.008 -3.316 6 HB3 ARG 1 HB1 ARG 1 7.665 -5.501 -2.627 7 HG2 ARG 1 HG2 ARG 1 5.386 -4.707 -2.382 8 HG3 ARG 1 HG1 ARG 1 4.775 -6.174 -3.146 9 HD2 ARG 1 HD2 ARG 1 6.341 -6.060 -0.568 10 HD3 ARG 1 HD1 ARG 1 4.595 -6.260 -0.695 11 HE ARG 1 HE ARG 1 5.972 -8.250 -2.189 12 HH11 ARG 1 HH11 ARG 1 5.071 -7.362 1.077 13 HH12 ARG 1 HH12 ARG 1 5.078 -8.996 1.655 14 HH21 ARG 1 HH21 ARG 1 5.988 -10.405 -1.419 15 HH22 ARG 1 HH22 ARG 1 5.603 -10.722 0.242 16 H GLY 2 HN GLY 2 4.733 -4.408 -5.554 17 HA2 GLY 2 HA2 GLY 2 4.237 -5.980 -7.746 18 HA3 GLY 2 HA1 GLY 2 3.627 -6.910 -6.388 19 H GLY 3 HN GLY 3 1.475 -6.788 -6.679 20 HA2 GLY 3 HA2 GLY 3 0.254 -4.274 -7.490 21 HA3 GLY 3 HA1 GLY 3 -0.551 -5.828 -7.348 22 H ARG 4 HN ARG 4 1.363 -4.040 -4.967 23 HA ARG 4 HA ARG 4 -1.055 -3.864 -3.299 24 HB2 ARG 4 HB2 ARG 4 1.807 -4.325 -2.434 25 HB3 ARG 4 HB1 ARG 4 0.493 -3.957 -1.325 26 HG2 ARG 4 HG2 ARG 4 -0.648 -5.995 -1.936 27 HG3 ARG 4 HG1 ARG 4 0.577 -6.345 -3.157 28 HD2 ARG 4 HD2 ARG 4 0.987 -7.670 -1.185 29 HD3 ARG 4 HD1 ARG 4 2.273 -6.482 -1.378 30 HE ARG 4 HE ARG 4 0.515 -5.264 0.300 31 HH11 ARG 4 HH11 ARG 4 2.114 -8.378 0.328 32 HH12 ARG 4 HH12 ARG 4 2.220 -8.453 2.057 33 HH21 ARG 4 HH21 ARG 4 0.649 -5.360 2.580 34 HH22 ARG 4 HH22 ARG 4 1.369 -6.746 3.340 35 H LEU 5 HN LEU 5 -1.664 -1.884 -2.804 36 HA LEU 5 HA LEU 5 0.325 0.286 -2.931 37 HB2 LEU 5 HB2 LEU 5 -2.526 0.374 -3.935 38 HB3 LEU 5 HB1 LEU 5 -1.440 1.747 -3.863 39 HG LEU 5 HG LEU 5 -1.001 -0.708 -5.569 40 HD11 LEU 5 HD11 LEU 5 -2.920 0.566 -6.342 41 HD12 LEU 5 HD12 LEU 5 -1.560 0.764 -7.446 42 HD13 LEU 5 HD13 LEU 5 -1.967 2.050 -6.312 43 HD21 LEU 5 HD21 LEU 5 0.450 1.936 -5.468 44 HD22 LEU 5 HD22 LEU 5 0.747 0.642 -6.628 45 HD23 LEU 5 HD23 LEU 5 1.080 0.385 -4.916 46 H CYS 6 HN CYS 6 0.403 1.437 -1.093 47 HA CYS 6 HA CYS 6 -1.915 1.215 0.687 48 HB2 CYS 6 HB2 CYS 6 0.259 0.154 1.461 49 HB3 CYS 6 HB1 CYS 6 0.899 1.789 1.594 50 H TYR 7 HN TYR 7 -2.853 2.991 1.482 51 HA TYR 7 HA TYR 7 -1.723 5.567 0.619 52 HB2 TYR 7 HB2 TYR 7 -4.626 4.727 0.609 53 HB3 TYR 7 HB1 TYR 7 -4.040 6.343 0.241 54 HD1 TYR 7 HD1 TYR 7 -4.709 3.062 -1.055 55 HD2 TYR 7 HD2 TYR 7 -2.556 6.660 -1.778 56 HE1 TYR 7 HE1 TYR 7 -4.471 2.437 -3.421 57 HE2 TYR 7 HE2 TYR 7 -2.315 6.045 -4.146 58 HH TYR 7 HH TYR 7 -2.328 3.985 -5.524 59 H CYS 8 HN CYS 8 -1.470 7.011 2.180 60 HA CYS 8 HA CYS 8 -2.883 6.584 4.722 61 HB2 CYS 8 HB2 CYS 8 -0.348 8.162 4.239 62 HB3 CYS 8 HB1 CYS 8 -1.083 7.818 5.798 63 H ARG 9 HN ARG 9 -4.484 7.971 5.136 64 HA ARG 9 HA ARG 9 -4.438 10.574 3.755 65 HB2 ARG 9 HB2 ARG 9 -6.246 9.020 3.042 66 HB3 ARG 9 HB1 ARG 9 -6.851 9.010 4.691 67 HG2 ARG 9 HG2 ARG 9 -7.262 11.429 4.538 68 HG3 ARG 9 HG1 ARG 9 -6.702 11.401 2.865 69 HD2 ARG 9 HD2 ARG 9 -9.110 11.332 2.895 70 HD3 ARG 9 HD1 ARG 9 -8.493 9.778 2.336 71 HE ARG 9 HE ARG 9 -9.208 10.091 5.164 72 HH11 ARG 9 HH11 ARG 9 -9.887 8.686 2.029 73 HH12 ARG 9 HH12 ARG 9 -11.007 7.519 2.654 74 HH21 ARG 9 HH21 ARG 9 -10.681 8.551 5.986 75 HH22 ARG 9 HH22 ARG 9 -11.444 7.429 4.905 76 H GLY 10 HN GLY 10 -3.311 11.613 5.421 77 HA2 GLY 10 HA2 GLY 10 -3.294 13.064 7.205 78 HA3 GLY 10 HA1 GLY 10 -5.009 12.752 7.407 79 H TRP 11 HN TRP 11 -5.667 10.962 8.667 80 HA TRP 11 HA TRP 11 -3.635 10.168 10.643 81 HB2 TRP 11 HB2 TRP 11 -5.570 9.969 12.234 82 HB3 TRP 11 HB1 TRP 11 -5.243 11.608 11.684 83 HD1 TRP 11 HD1 TRP 11 -7.043 12.738 10.051 84 HE1 TRP 11 HE1 TRP 11 -9.519 12.211 9.601 85 HE3 TRP 11 HE3 TRP 11 -7.247 8.045 12.068 86 HZ2 TRP 11 HZ2 TRP 11 -11.319 10.083 10.042 87 HZ3 TRP 11 HZ3 TRP 11 -9.385 6.830 12.012 88 HH2 TRP 11 HH2 TRP 11 -11.379 7.830 11.021 89 H ILE 12 HN ILE 12 -5.812 9.048 8.286 90 HA ILE 12 HA ILE 12 -5.754 6.339 9.439 91 HB ILE 12 HB ILE 12 -8.025 7.011 9.309 92 HG12 ILE 12 HG12 ILE 12 -7.423 5.329 6.866 93 HG13 ILE 12 HG11 ILE 12 -7.580 4.727 8.511 94 HG21 ILE 12 HG21 ILE 12 -7.794 8.932 7.853 95 HG22 ILE 12 HG22 ILE 12 -9.080 7.876 7.268 96 HG23 ILE 12 HG23 ILE 12 -7.506 7.876 6.470 97 HD11 ILE 12 HD11 ILE 12 -9.752 6.018 6.881 98 HD12 ILE 12 HD12 ILE 12 -9.917 5.447 8.540 99 HD13 ILE 12 HD13 ILE 12 -9.591 4.300 7.240 100 H CYS 13 HN CYS 13 -4.446 4.975 8.441 101 HA CYS 13 HA CYS 13 -4.020 5.322 5.553 102 HB2 CYS 13 HB2 CYS 13 -2.026 6.056 6.826 103 HB3 CYS 13 HB1 CYS 13 -1.936 4.465 7.577 104 H PHE 14 HN PHE 14 -4.375 3.587 4.350 105 HA PHE 14 HA PHE 14 -4.407 0.944 5.617 106 HB2 PHE 14 HB2 PHE 14 -6.551 0.382 4.619 107 HB3 PHE 14 HB1 PHE 14 -6.736 1.820 5.619 108 HD1 PHE 14 HD1 PHE 14 -7.045 0.414 2.332 109 HD2 PHE 14 HD2 PHE 14 -6.883 4.066 4.510 110 HE1 PHE 14 HE1 PHE 14 -8.011 1.598 0.411 111 HE2 PHE 14 HE2 PHE 14 -7.852 5.257 2.590 112 HZ PHE 14 HZ PHE 14 -8.417 4.023 0.535 113 H CYS 15 HN CYS 15 -4.107 -0.792 4.134 114 HA CYS 15 HA CYS 15 -2.902 0.092 1.607 115 HB2 CYS 15 HB2 CYS 15 -2.150 -2.425 3.074 116 HB3 CYS 15 HB1 CYS 15 -1.257 -1.606 1.799 117 H VAL 16 HN VAL 16 -3.538 -0.861 -0.271 118 HA VAL 16 HA VAL 16 -5.542 -3.004 -0.012 119 HB VAL 16 HB VAL 16 -6.461 -2.245 -2.194 120 HG11 VAL 16 HG11 VAL 16 -6.433 -0.164 -0.017 121 HG12 VAL 16 HG12 VAL 16 -7.496 -1.567 -0.101 122 HG13 VAL 16 HG13 VAL 16 -7.627 -0.290 -1.310 123 HG21 VAL 16 HG21 VAL 16 -4.504 -1.098 -3.076 124 HG22 VAL 16 HG22 VAL 16 -4.623 0.114 -1.801 125 HG23 VAL 16 HG23 VAL 16 -5.890 -0.009 -3.021 126 H GLY 17 HN GLY 17 -5.301 -4.841 -1.131 127 HA2 GLY 17 HA2 GLY 17 -3.536 -5.063 -3.398 128 HA3 GLY 17 HA1 GLY 17 -2.914 -5.838 -1.945 129 H ARG 18 HN ARG 18 -3.829 -6.986 -4.531 130 HA ARG 18 HA ARG 18 -5.584 -9.000 -3.397 131 HB2 ARG 18 HB2 ARG 18 -7.094 -8.860 -5.432 132 HB3 ARG 18 HB1 ARG 18 -7.260 -7.571 -4.252 133 HG2 ARG 18 HG2 ARG 18 -5.849 -6.129 -5.680 134 HG3 ARG 18 HG1 ARG 18 -5.800 -7.420 -6.882 135 HD2 ARG 18 HD2 ARG 18 -7.495 -5.809 -7.491 136 HD3 ARG 18 HD1 ARG 18 -8.259 -7.331 -7.033 137 HE ARG 18 HE ARG 18 -8.043 -5.422 -4.881 138 HH11 ARG 18 HH11 ARG 18 -9.998 -6.546 -7.554 139 HH12 ARG 18 HH12 ARG 18 -11.475 -5.911 -6.908 140 HH21 ARG 18 HH21 ARG 18 -9.987 -4.579 -4.024 141 HH22 ARG 18 HH22 ARG 18 -11.472 -4.789 -4.897 Start of MODEL 5 1 H1 ARG 1 HT1 ARG 1 4.353 -10.388 -9.588 2 H2 ARG 1 HT2 ARG 1 3.057 -9.587 -8.856 3 H3 ARG 1 HT3 ARG 1 4.149 -10.467 -7.913 4 HA ARG 1 HA ARG 1 5.914 -8.959 -8.416 5 HB2 ARG 1 HB2 ARG 1 3.830 -7.442 -9.992 6 HB3 ARG 1 HB1 ARG 1 5.480 -6.921 -9.702 7 HG2 ARG 1 HG2 ARG 1 6.317 -8.809 -10.989 8 HG3 ARG 1 HG1 ARG 1 4.663 -9.358 -11.266 9 HD2 ARG 1 HD2 ARG 1 5.891 -6.769 -12.192 10 HD3 ARG 1 HD1 ARG 1 5.444 -8.143 -13.200 11 HE ARG 1 HE ARG 1 3.091 -7.602 -12.206 12 HH11 ARG 1 HH11 ARG 1 5.535 -5.349 -13.294 13 HH12 ARG 1 HH12 ARG 1 4.395 -4.098 -13.671 14 HH21 ARG 1 HH21 ARG 1 1.586 -5.963 -12.693 15 HH22 ARG 1 HH22 ARG 1 2.144 -4.443 -13.322 16 H GLY 2 HN GLY 2 3.363 -9.336 -6.668 17 HA2 GLY 2 HA2 GLY 2 3.174 -8.343 -4.509 18 HA3 GLY 2 HA1 GLY 2 3.776 -6.835 -5.183 19 H GLY 3 HN GLY 3 2.363 -5.664 -6.656 20 HA2 GLY 3 HA2 GLY 3 0.345 -4.776 -7.279 21 HA3 GLY 3 HA1 GLY 3 -0.358 -6.360 -6.996 22 H ARG 4 HN ARG 4 1.217 -4.059 -4.786 23 HA ARG 4 HA ARG 4 -1.350 -3.758 -3.400 24 HB2 ARG 4 HB2 ARG 4 -0.250 -3.900 -1.221 25 HB3 ARG 4 HB1 ARG 4 -0.032 -5.388 -2.129 26 HG2 ARG 4 HG2 ARG 4 2.234 -4.829 -2.639 27 HG3 ARG 4 HG1 ARG 4 2.038 -3.212 -1.963 28 HD2 ARG 4 HD2 ARG 4 3.212 -4.594 -0.379 29 HD3 ARG 4 HD1 ARG 4 1.608 -4.227 0.247 30 HE ARG 4 HE ARG 4 1.743 -6.716 -1.177 31 HH11 ARG 4 HH11 ARG 4 2.174 -5.166 1.930 32 HH12 ARG 4 HH12 ARG 4 2.021 -6.642 2.827 33 HH21 ARG 4 HH21 ARG 4 1.515 -8.656 0.009 34 HH22 ARG 4 HH22 ARG 4 1.644 -8.624 1.738 35 H LEU 5 HN LEU 5 -1.876 -1.718 -3.010 36 HA LEU 5 HA LEU 5 0.256 0.319 -3.079 37 HB2 LEU 5 HB2 LEU 5 -2.594 0.582 -4.052 38 HB3 LEU 5 HB1 LEU 5 -1.408 1.874 -4.025 39 HG LEU 5 HG LEU 5 -1.200 -0.642 -5.680 40 HD11 LEU 5 HD11 LEU 5 -1.862 2.184 -6.485 41 HD12 LEU 5 HD12 LEU 5 -2.979 0.821 -6.465 42 HD13 LEU 5 HD13 LEU 5 -1.617 0.828 -7.584 43 HD21 LEU 5 HD21 LEU 5 0.665 0.537 -6.773 44 HD22 LEU 5 HD22 LEU 5 0.986 0.197 -5.074 45 HD23 LEU 5 HD23 LEU 5 0.530 1.824 -5.576 46 H CYS 6 HN CYS 6 0.414 1.522 -1.291 47 HA CYS 6 HA CYS 6 -1.756 1.251 0.673 48 HB2 CYS 6 HB2 CYS 6 1.109 1.893 1.321 49 HB3 CYS 6 HB1 CYS 6 -0.146 1.325 2.410 50 H TYR 7 HN TYR 7 -2.810 3.011 1.239 51 HA TYR 7 HA TYR 7 -1.688 5.617 0.441 52 HB2 TYR 7 HB2 TYR 7 -4.590 4.787 0.665 53 HB3 TYR 7 HB1 TYR 7 -4.013 6.376 0.184 54 HD1 TYR 7 HD1 TYR 7 -4.540 2.920 -0.868 55 HD2 TYR 7 HD2 TYR 7 -3.022 6.723 -2.015 56 HE1 TYR 7 HE1 TYR 7 -4.542 2.206 -3.223 57 HE2 TYR 7 HE2 TYR 7 -3.021 6.019 -4.367 58 HH TYR 7 HH TYR 7 -4.628 3.272 -5.468 59 H CYS 8 HN CYS 8 -1.256 6.971 2.054 60 HA CYS 8 HA CYS 8 -2.607 6.549 4.631 61 HB2 CYS 8 HB2 CYS 8 -0.055 8.066 4.050 62 HB3 CYS 8 HB1 CYS 8 -0.755 7.800 5.639 63 H ARG 9 HN ARG 9 -4.132 7.956 5.169 64 HA ARG 9 HA ARG 9 -4.116 10.613 3.908 65 HB2 ARG 9 HB2 ARG 9 -5.616 9.109 2.658 66 HB3 ARG 9 HB1 ARG 9 -6.494 8.759 4.137 67 HG2 ARG 9 HG2 ARG 9 -7.155 11.118 4.284 68 HG3 ARG 9 HG1 ARG 9 -6.311 11.431 2.765 69 HD2 ARG 9 HD2 ARG 9 -8.693 11.127 2.374 70 HD3 ARG 9 HD1 ARG 9 -7.771 9.822 1.631 71 HE ARG 9 HE ARG 9 -9.050 9.473 4.263 72 HH11 ARG 9 HH11 ARG 9 -8.638 8.474 0.926 73 HH12 ARG 9 HH12 ARG 9 -9.531 7.001 1.127 74 HH21 ARG 9 HH21 ARG 9 -10.231 7.534 4.518 75 HH22 ARG 9 HH22 ARG 9 -10.451 6.475 3.161 76 H GLY 10 HN GLY 10 -3.994 12.031 5.507 77 HA2 GLY 10 HA2 GLY 10 -4.559 13.205 7.394 78 HA3 GLY 10 HA1 GLY 10 -6.031 12.248 7.460 79 H TRP 11 HN TRP 11 -6.256 10.899 9.099 80 HA TRP 11 HA TRP 11 -3.934 10.501 10.846 81 HB2 TRP 11 HB2 TRP 11 -5.551 10.182 12.652 82 HB3 TRP 11 HB1 TRP 11 -5.850 11.704 11.824 83 HD1 TRP 11 HD1 TRP 11 -7.527 8.549 12.863 84 HE1 TRP 11 HE1 TRP 11 -9.936 8.473 11.962 85 HE3 TRP 11 HE3 TRP 11 -7.306 12.484 9.602 86 HZ2 TRP 11 HZ2 TRP 11 -11.531 9.896 10.126 87 HZ3 TRP 11 HZ3 TRP 11 -9.321 13.058 8.311 88 HH2 TRP 11 HH2 TRP 11 -11.390 11.787 8.570 89 H ILE 12 HN ILE 12 -5.515 8.867 8.510 90 HA ILE 12 HA ILE 12 -4.991 6.265 9.785 91 HB ILE 12 HB ILE 12 -6.838 5.280 8.467 92 HG12 ILE 12 HG12 ILE 12 -7.594 8.153 7.874 93 HG13 ILE 12 HG11 ILE 12 -6.919 7.027 6.701 94 HG21 ILE 12 HG21 ILE 12 -7.197 5.872 10.791 95 HG22 ILE 12 HG22 ILE 12 -8.666 6.132 9.854 96 HG23 ILE 12 HG23 ILE 12 -7.665 7.505 10.322 97 HD11 ILE 12 HD11 ILE 12 -9.313 7.210 6.437 98 HD12 ILE 12 HD12 ILE 12 -9.556 6.742 8.119 99 HD13 ILE 12 HD13 ILE 12 -8.880 5.586 6.973 100 H CYS 13 HN CYS 13 -4.228 4.612 8.412 101 HA CYS 13 HA CYS 13 -3.743 5.340 5.626 102 HB2 CYS 13 HB2 CYS 13 -1.646 5.832 6.856 103 HB3 CYS 13 HB1 CYS 13 -1.596 4.160 7.403 104 H PHE 14 HN PHE 14 -4.222 3.753 4.260 105 HA PHE 14 HA PHE 14 -4.588 1.036 5.335 106 HB2 PHE 14 HB2 PHE 14 -6.683 0.815 4.124 107 HB3 PHE 14 HB1 PHE 14 -6.777 2.217 5.186 108 HD1 PHE 14 HD1 PHE 14 -6.939 1.018 1.807 109 HD2 PHE 14 HD2 PHE 14 -6.529 4.510 4.201 110 HE1 PHE 14 HE1 PHE 14 -7.542 2.405 -0.126 111 HE2 PHE 14 HE2 PHE 14 -7.140 5.908 2.271 112 HZ PHE 14 HZ PHE 14 -7.646 4.855 0.102 113 H CYS 15 HN CYS 15 -4.356 -0.655 3.756 114 HA CYS 15 HA CYS 15 -3.127 0.251 1.251 115 HB2 CYS 15 HB2 CYS 15 -1.386 -0.409 2.922 116 HB3 CYS 15 HB1 CYS 15 -2.067 -2.030 2.921 117 H VAL 16 HN VAL 16 -3.769 -0.749 -0.537 118 HA VAL 16 HA VAL 16 -5.510 -3.113 -0.219 119 HB VAL 16 HB VAL 16 -5.583 -1.065 -2.447 120 HG11 VAL 16 HG11 VAL 16 -7.688 -2.146 -3.072 121 HG12 VAL 16 HG12 VAL 16 -7.459 -3.334 -1.789 122 HG13 VAL 16 HG13 VAL 16 -6.333 -3.274 -3.145 123 HG21 VAL 16 HG21 VAL 16 -7.422 -1.397 -0.080 124 HG22 VAL 16 HG22 VAL 16 -7.705 -0.317 -1.445 125 HG23 VAL 16 HG23 VAL 16 -6.325 -0.050 -0.379 126 H GLY 17 HN GLY 17 -4.654 -4.931 -0.978 127 HA2 GLY 17 HA2 GLY 17 -3.255 -4.990 -3.494 128 HA3 GLY 17 HA1 GLY 17 -2.214 -5.279 -2.107 129 H ARG 18 HN ARG 18 -3.352 -6.937 -4.426 130 HA ARG 18 HA ARG 18 -4.100 -9.237 -2.757 131 HB2 ARG 18 HB2 ARG 18 -6.093 -8.248 -3.903 132 HB3 ARG 18 HB1 ARG 18 -5.319 -8.574 -5.445 133 HG2 ARG 18 HG2 ARG 18 -5.364 -10.964 -4.968 134 HG3 ARG 18 HG1 ARG 18 -6.121 -10.640 -3.406 135 HD2 ARG 18 HD2 ARG 18 -7.267 -10.027 -6.127 136 HD3 ARG 18 HD1 ARG 18 -7.805 -11.289 -5.018 137 HE ARG 18 HE ARG 18 -8.054 -9.025 -3.554 138 HH11 ARG 18 HH11 ARG 18 -9.210 -9.965 -6.719 139 HH12 ARG 18 HH12 ARG 18 -10.627 -8.969 -6.639 140 HH21 ARG 18 HH21 ARG 18 -9.908 -7.702 -3.452 141 HH22 ARG 18 HH22 ARG 18 -11.027 -7.689 -4.778 Start of MODEL 6 1 H1 ARG 1 HT1 ARG 1 2.863 -2.671 -4.124 2 H2 ARG 1 HT2 ARG 1 4.419 -2.909 -3.509 3 H3 ARG 1 HT3 ARG 1 3.617 -4.178 -4.284 4 HA ARG 1 HA ARG 1 4.471 -1.653 -5.565 5 HB2 ARG 1 HB2 ARG 1 5.588 -4.453 -5.770 6 HB3 ARG 1 HB1 ARG 1 6.071 -3.107 -6.788 7 HG2 ARG 1 HG2 ARG 1 6.921 -1.926 -4.833 8 HG3 ARG 1 HG1 ARG 1 6.427 -3.274 -3.806 9 HD2 ARG 1 HD2 ARG 1 8.795 -3.427 -4.313 10 HD3 ARG 1 HD1 ARG 1 7.922 -4.760 -5.063 11 HE ARG 1 HE ARG 1 8.533 -2.377 -6.658 12 HH11 ARG 1 HH11 ARG 1 9.024 -5.781 -6.010 13 HH12 ARG 1 HH12 ARG 1 9.872 -6.072 -7.494 14 HH21 ARG 1 HH21 ARG 1 9.656 -2.754 -8.607 15 HH22 ARG 1 HH22 ARG 1 10.231 -4.351 -8.970 16 H GLY 2 HN GLY 2 2.927 -1.190 -7.027 17 HA2 GLY 2 HA2 GLY 2 1.680 -1.448 -8.950 18 HA3 GLY 2 HA1 GLY 2 2.363 -3.057 -9.124 19 H GLY 3 HN GLY 3 1.444 -4.765 -7.748 20 HA2 GLY 3 HA2 GLY 3 -1.412 -4.725 -7.878 21 HA3 GLY 3 HA1 GLY 3 -0.418 -6.016 -7.220 22 H ARG 4 HN ARG 4 0.939 -4.253 -5.340 23 HA ARG 4 HA ARG 4 -1.278 -3.775 -3.467 24 HB2 ARG 4 HB2 ARG 4 0.266 -5.577 -2.767 25 HB3 ARG 4 HB1 ARG 4 1.601 -4.432 -2.821 26 HG2 ARG 4 HG2 ARG 4 0.624 -3.140 -1.036 27 HG3 ARG 4 HG1 ARG 4 -0.803 -4.177 -1.027 28 HD2 ARG 4 HD2 ARG 4 0.643 -6.092 -0.434 29 HD3 ARG 4 HD1 ARG 4 2.020 -4.994 -0.357 30 HE ARG 4 HE ARG 4 0.273 -3.855 1.349 31 HH11 ARG 4 HH11 ARG 4 1.472 -7.125 1.037 32 HH12 ARG 4 HH12 ARG 4 1.322 -7.479 2.728 33 HH21 ARG 4 HH21 ARG 4 0.069 -4.326 3.590 34 HH22 ARG 4 HH22 ARG 4 0.522 -5.896 4.174 35 H LEU 5 HN LEU 5 -1.680 -1.756 -3.029 36 HA LEU 5 HA LEU 5 0.522 0.195 -2.977 37 HB2 LEU 5 HB2 LEU 5 -2.267 0.619 -4.065 38 HB3 LEU 5 HB1 LEU 5 -1.091 1.894 -3.816 39 HG LEU 5 HG LEU 5 -0.754 -0.420 -5.730 40 HD11 LEU 5 HD11 LEU 5 -1.404 2.475 -6.257 41 HD12 LEU 5 HD12 LEU 5 -2.511 1.115 -6.444 42 HD13 LEU 5 HD13 LEU 5 -1.088 1.243 -7.479 43 HD21 LEU 5 HD21 LEU 5 1.375 0.388 -4.887 44 HD22 LEU 5 HD22 LEU 5 0.916 2.049 -5.265 45 HD23 LEU 5 HD23 LEU 5 1.156 0.881 -6.565 46 H CYS 6 HN CYS 6 0.638 1.270 -1.092 47 HA CYS 6 HA CYS 6 -1.740 1.342 0.619 48 HB2 CYS 6 HB2 CYS 6 0.974 0.480 1.639 49 HB3 CYS 6 HB1 CYS 6 -0.555 0.466 2.515 50 H TYR 7 HN TYR 7 -2.056 3.284 1.466 51 HA TYR 7 HA TYR 7 0.209 5.123 1.748 52 HB2 TYR 7 HB2 TYR 7 -2.396 5.800 0.355 53 HB3 TYR 7 HB1 TYR 7 -1.109 6.942 0.723 54 HD1 TYR 7 HD1 TYR 7 1.121 6.658 -0.410 55 HD2 TYR 7 HD2 TYR 7 -2.332 4.482 -1.604 56 HE1 TYR 7 HE1 TYR 7 2.189 6.157 -2.565 57 HE2 TYR 7 HE2 TYR 7 -1.273 3.976 -3.763 58 HH TYR 7 HH TYR 7 2.013 4.433 -4.346 59 H CYS 8 HN CYS 8 -0.077 6.734 3.300 60 HA CYS 8 HA CYS 8 -2.387 6.337 5.074 61 HB2 CYS 8 HB2 CYS 8 0.264 7.646 5.722 62 HB3 CYS 8 HB1 CYS 8 -1.027 7.281 6.858 63 H ARG 9 HN ARG 9 -3.859 7.917 5.187 64 HA ARG 9 HA ARG 9 -3.160 10.547 4.068 65 HB2 ARG 9 HB2 ARG 9 -4.368 9.273 2.377 66 HB3 ARG 9 HB1 ARG 9 -5.656 8.932 3.523 67 HG2 ARG 9 HG2 ARG 9 -6.172 11.331 3.636 68 HG3 ARG 9 HG1 ARG 9 -4.908 11.639 2.441 69 HD2 ARG 9 HD2 ARG 9 -6.070 10.325 0.797 70 HD3 ARG 9 HD1 ARG 9 -7.270 9.830 1.985 71 HE ARG 9 HE ARG 9 -7.049 12.684 1.522 72 HH11 ARG 9 HH11 ARG 9 -8.708 9.695 0.784 73 HH12 ARG 9 HH12 ARG 9 -10.104 10.475 0.123 74 HH21 ARG 9 HH21 ARG 9 -8.892 13.732 0.652 75 HH22 ARG 9 HH22 ARG 9 -10.209 12.782 0.047 76 H GLY 10 HN GLY 10 -3.394 12.020 5.597 77 HA2 GLY 10 HA2 GLY 10 -4.504 13.344 7.134 78 HA3 GLY 10 HA1 GLY 10 -5.873 12.243 7.041 79 H TRP 11 HN TRP 11 -6.240 10.962 8.717 80 HA TRP 11 HA TRP 11 -3.992 10.413 10.537 81 HB2 TRP 11 HB2 TRP 11 -6.874 10.985 11.228 82 HB3 TRP 11 HB1 TRP 11 -5.727 10.290 12.370 83 HD1 TRP 11 HD1 TRP 11 -6.682 13.564 10.713 84 HE1 TRP 11 HE1 TRP 11 -5.342 15.480 11.793 85 HE3 TRP 11 HE3 TRP 11 -3.428 10.793 13.512 86 HZ2 TRP 11 HZ2 TRP 11 -3.186 15.771 13.591 87 HZ3 TRP 11 HZ3 TRP 11 -1.753 11.966 14.882 88 HH2 TRP 11 HH2 TRP 11 -1.635 14.404 14.919 89 H ILE 12 HN ILE 12 -5.879 9.077 8.295 90 HA ILE 12 HA ILE 12 -5.861 6.459 9.647 91 HB ILE 12 HB ILE 12 -7.604 5.715 8.087 92 HG12 ILE 12 HG12 ILE 12 -7.720 8.607 7.200 93 HG13 ILE 12 HG11 ILE 12 -7.091 7.276 6.234 94 HG21 ILE 12 HG21 ILE 12 -9.473 6.981 9.060 95 HG22 ILE 12 HG22 ILE 12 -8.330 8.187 9.650 96 HG23 ILE 12 HG23 ILE 12 -8.265 6.536 10.264 97 HD11 ILE 12 HD11 ILE 12 -9.925 7.556 7.207 98 HD12 ILE 12 HD12 ILE 12 -9.294 6.245 6.211 99 HD13 ILE 12 HD13 ILE 12 -9.353 7.888 5.574 100 H CYS 13 HN CYS 13 -5.123 4.670 8.423 101 HA CYS 13 HA CYS 13 -3.796 5.375 5.906 102 HB2 CYS 13 HB2 CYS 13 -2.149 5.284 7.811 103 HB3 CYS 13 HB1 CYS 13 -2.556 3.581 8.002 104 H PHE 14 HN PHE 14 -3.848 3.830 4.327 105 HA PHE 14 HA PHE 14 -5.324 1.373 4.970 106 HB2 PHE 14 HB2 PHE 14 -6.574 1.607 2.850 107 HB3 PHE 14 HB1 PHE 14 -6.907 2.929 3.964 108 HD1 PHE 14 HD1 PHE 14 -5.255 1.968 0.841 109 HD2 PHE 14 HD2 PHE 14 -6.245 5.175 3.460 110 HE1 PHE 14 HE1 PHE 14 -4.647 3.577 -0.905 111 HE2 PHE 14 HE2 PHE 14 -5.641 6.794 1.715 112 HZ PHE 14 HZ PHE 14 -4.840 5.998 -0.477 113 H CYS 15 HN CYS 15 -4.948 -0.376 3.530 114 HA CYS 15 HA CYS 15 -2.617 -0.157 1.789 115 HB2 CYS 15 HB2 CYS 15 -1.831 -0.737 4.103 116 HB3 CYS 15 HB1 CYS 15 -2.822 -2.184 4.032 117 H VAL 16 HN VAL 16 -3.202 -1.084 -0.083 118 HA VAL 16 HA VAL 16 -5.201 -3.247 0.015 119 HB VAL 16 HB VAL 16 -4.999 -1.073 -2.078 120 HG11 VAL 16 HG11 VAL 16 -6.987 -3.321 -1.766 121 HG12 VAL 16 HG12 VAL 16 -5.755 -3.182 -3.021 122 HG13 VAL 16 HG13 VAL 16 -7.084 -2.022 -2.956 123 HG21 VAL 16 HG21 VAL 16 -5.891 -0.242 0.045 124 HG22 VAL 16 HG22 VAL 16 -7.101 -1.524 0.040 125 HG23 VAL 16 HG23 VAL 16 -7.133 -0.276 -1.206 126 H GLY 17 HN GLY 17 -4.433 -5.091 -0.774 127 HA2 GLY 17 HA2 GLY 17 -2.835 -5.079 -3.197 128 HA3 GLY 17 HA1 GLY 17 -2.027 -5.693 -1.764 129 H ARG 18 HN ARG 18 -2.487 -7.200 -4.074 130 HA ARG 18 HA ARG 18 -4.381 -9.198 -3.039 131 HB2 ARG 18 HB2 ARG 18 -3.637 -8.679 -5.925 132 HB3 ARG 18 HB1 ARG 18 -4.702 -9.958 -5.363 133 HG2 ARG 18 HG2 ARG 18 -5.211 -7.003 -5.089 134 HG3 ARG 18 HG1 ARG 18 -5.940 -8.071 -6.286 135 HD2 ARG 18 HD2 ARG 18 -6.244 -8.326 -3.298 136 HD3 ARG 18 HD1 ARG 18 -7.436 -7.631 -4.392 137 HE ARG 18 HE ARG 18 -6.691 -10.293 -5.125 138 HH11 ARG 18 HH11 ARG 18 -8.748 -8.407 -3.015 139 HH12 ARG 18 HH12 ARG 18 -9.913 -9.673 -2.812 140 HH21 ARG 18 HH21 ARG 18 -8.221 -11.956 -4.865 141 HH22 ARG 18 HH22 ARG 18 -9.625 -11.689 -3.881 Start of MODEL 7 1 H1 ARG 1 HT1 ARG 1 8.215 -4.728 -7.707 2 H2 ARG 1 HT2 ARG 1 7.846 -4.909 -6.065 3 H3 ARG 1 HT3 ARG 1 6.748 -4.145 -7.097 4 HA ARG 1 HA ARG 1 6.377 -6.172 -8.298 5 HB2 ARG 1 HB2 ARG 1 8.584 -7.157 -8.047 6 HB3 ARG 1 HB1 ARG 1 8.350 -7.319 -6.314 7 HG2 ARG 1 HG2 ARG 1 8.091 -9.445 -7.519 8 HG3 ARG 1 HG1 ARG 1 6.627 -8.972 -6.656 9 HD2 ARG 1 HD2 ARG 1 6.132 -9.851 -8.895 10 HD3 ARG 1 HD1 ARG 1 5.639 -8.168 -8.721 11 HE ARG 1 HE ARG 1 8.263 -8.553 -9.873 12 HH11 ARG 1 HH11 ARG 1 4.833 -8.203 -10.501 13 HH12 ARG 1 HH12 ARG 1 5.061 -7.655 -12.130 14 HH21 ARG 1 HH21 ARG 1 8.563 -7.842 -12.017 15 HH22 ARG 1 HH22 ARG 1 7.180 -7.461 -12.994 16 H GLY 2 HN GLY 2 4.396 -6.813 -7.783 17 HA2 GLY 2 HA2 GLY 2 2.917 -7.995 -6.272 18 HA3 GLY 2 HA1 GLY 2 3.740 -7.203 -4.934 19 H GLY 3 HN GLY 3 0.900 -7.258 -6.370 20 HA2 GLY 3 HA2 GLY 3 0.445 -4.454 -6.859 21 HA3 GLY 3 HA1 GLY 3 -0.763 -5.729 -6.874 22 H ARG 4 HN ARG 4 1.376 -4.114 -4.541 23 HA ARG 4 HA ARG 4 -0.917 -3.986 -2.695 24 HB2 ARG 4 HB2 ARG 4 2.030 -4.035 -2.012 25 HB3 ARG 4 HB1 ARG 4 0.715 -3.902 -0.856 26 HG2 ARG 4 HG2 ARG 4 -0.085 -6.120 -1.529 27 HG3 ARG 4 HG1 ARG 4 1.274 -6.256 -2.647 28 HD2 ARG 4 HD2 ARG 4 1.473 -5.916 0.343 29 HD3 ARG 4 HD1 ARG 4 1.708 -7.425 -0.537 30 HE ARG 4 HE ARG 4 3.519 -5.838 -1.700 31 HH11 ARG 4 HH11 ARG 4 2.789 -6.421 1.671 32 HH12 ARG 4 HH12 ARG 4 4.412 -6.124 2.205 33 HH21 ARG 4 HH21 ARG 4 5.661 -5.471 -1.006 34 HH22 ARG 4 HH22 ARG 4 6.044 -5.573 0.684 35 H LEU 5 HN LEU 5 -1.696 -2.026 -2.420 36 HA LEU 5 HA LEU 5 0.112 0.273 -2.760 37 HB2 LEU 5 HB2 LEU 5 -2.746 0.063 -3.714 38 HB3 LEU 5 HB1 LEU 5 -1.747 1.500 -3.811 39 HG LEU 5 HG LEU 5 -1.198 -1.094 -5.256 40 HD11 LEU 5 HD11 LEU 5 -2.267 1.533 -6.267 41 HD12 LEU 5 HD12 LEU 5 -3.165 0.022 -6.132 42 HD13 LEU 5 HD13 LEU 5 -1.819 0.150 -7.264 43 HD21 LEU 5 HD21 LEU 5 0.476 0.239 -6.473 44 HD22 LEU 5 HD22 LEU 5 0.847 0.095 -4.757 45 HD23 LEU 5 HD23 LEU 5 0.163 1.591 -5.386 46 H CYS 6 HN CYS 6 0.047 1.725 -1.166 47 HA CYS 6 HA CYS 6 -2.145 1.515 0.787 48 HB2 CYS 6 HB2 CYS 6 0.683 2.477 1.269 49 HB3 CYS 6 HB1 CYS 6 -0.581 2.328 2.483 50 H TYR 7 HN TYR 7 -3.290 3.308 1.253 51 HA TYR 7 HA TYR 7 -2.349 5.849 0.091 52 HB2 TYR 7 HB2 TYR 7 -5.213 4.898 0.366 53 HB3 TYR 7 HB1 TYR 7 -4.709 6.465 -0.264 54 HD1 TYR 7 HD1 TYR 7 -5.263 2.982 -1.022 55 HD2 TYR 7 HD2 TYR 7 -3.390 6.544 -2.405 56 HE1 TYR 7 HE1 TYR 7 -5.089 2.011 -3.274 57 HE2 TYR 7 HE2 TYR 7 -3.216 5.582 -4.661 58 HH TYR 7 HH TYR 7 -3.166 3.383 -5.721 59 H CYS 8 HN CYS 8 -1.934 7.342 1.561 60 HA CYS 8 HA CYS 8 -3.039 6.947 4.258 61 HB2 CYS 8 HB2 CYS 8 -0.554 8.490 3.496 62 HB3 CYS 8 HB1 CYS 8 -1.090 8.094 5.120 63 H ARG 9 HN ARG 9 -4.451 8.368 4.967 64 HA ARG 9 HA ARG 9 -4.331 11.130 3.955 65 HB2 ARG 9 HB2 ARG 9 -6.772 9.468 4.597 66 HB3 ARG 9 HB1 ARG 9 -6.815 11.205 4.347 67 HG2 ARG 9 HG2 ARG 9 -5.957 10.873 2.064 68 HG3 ARG 9 HG1 ARG 9 -6.003 9.128 2.327 69 HD2 ARG 9 HD2 ARG 9 -8.411 10.913 2.614 70 HD3 ARG 9 HD1 ARG 9 -7.980 10.109 1.109 71 HE ARG 9 HE ARG 9 -8.492 8.032 2.087 72 HH11 ARG 9 HH11 ARG 9 -9.123 10.714 4.254 73 HH12 ARG 9 HH12 ARG 9 -10.166 9.797 5.291 74 HH21 ARG 9 HH21 ARG 9 -9.903 6.834 3.440 75 HH22 ARG 9 HH22 ARG 9 -10.620 7.603 4.821 76 H GLY 10 HN GLY 10 -2.978 11.580 5.777 77 HA2 GLY 10 HA2 GLY 10 -2.724 12.615 7.811 78 HA3 GLY 10 HA1 GLY 10 -4.471 12.586 7.979 79 H TRP 11 HN TRP 11 -5.427 11.036 9.227 80 HA TRP 11 HA TRP 11 -3.559 9.542 10.919 81 HB2 TRP 11 HB2 TRP 11 -6.419 10.396 11.384 82 HB3 TRP 11 HB1 TRP 11 -5.478 9.428 12.514 83 HD1 TRP 11 HD1 TRP 11 -5.843 12.988 11.199 84 HE1 TRP 11 HE1 TRP 11 -4.498 14.576 12.714 85 HE3 TRP 11 HE3 TRP 11 -3.433 9.512 14.065 86 HZ2 TRP 11 HZ2 TRP 11 -2.657 14.373 14.844 87 HZ3 TRP 11 HZ3 TRP 11 -1.897 10.293 15.821 88 HH2 TRP 11 HH2 TRP 11 -1.520 12.674 16.200 89 H ILE 12 HN ILE 12 -5.163 8.868 8.244 90 HA ILE 12 HA ILE 12 -5.567 6.093 9.079 91 HB ILE 12 HB ILE 12 -7.805 6.977 9.041 92 HG12 ILE 12 HG12 ILE 12 -8.829 5.581 7.248 93 HG13 ILE 12 HG11 ILE 12 -7.226 5.343 6.563 94 HG21 ILE 12 HG21 ILE 12 -7.221 7.938 6.247 95 HG22 ILE 12 HG22 ILE 12 -7.463 8.944 7.676 96 HG23 ILE 12 HG23 ILE 12 -8.797 7.983 7.038 97 HD11 ILE 12 HD11 ILE 12 -7.922 3.433 7.889 98 HD12 ILE 12 HD12 ILE 12 -8.114 4.473 9.301 99 HD13 ILE 12 HD13 ILE 12 -6.514 4.219 8.601 100 H CYS 13 HN CYS 13 -4.282 4.855 7.911 101 HA CYS 13 HA CYS 13 -4.110 5.378 5.031 102 HB2 CYS 13 HB2 CYS 13 -2.021 6.189 6.117 103 HB3 CYS 13 HB1 CYS 13 -1.753 4.568 6.753 104 H PHE 14 HN PHE 14 -4.787 3.682 3.953 105 HA PHE 14 HA PHE 14 -4.725 1.066 5.298 106 HB2 PHE 14 HB2 PHE 14 -6.750 0.484 4.053 107 HB3 PHE 14 HB1 PHE 14 -7.008 1.937 5.011 108 HD1 PHE 14 HD1 PHE 14 -6.778 0.542 1.668 109 HD2 PHE 14 HD2 PHE 14 -7.233 4.115 3.928 110 HE1 PHE 14 HE1 PHE 14 -7.529 1.713 -0.351 111 HE2 PHE 14 HE2 PHE 14 -7.989 5.300 1.910 112 HZ PHE 14 HZ PHE 14 -8.138 4.100 -0.237 113 H CYS 15 HN CYS 15 -4.370 -0.781 3.989 114 HA CYS 15 HA CYS 15 -2.924 -0.173 1.504 115 HB2 CYS 15 HB2 CYS 15 -2.239 -2.223 3.618 116 HB3 CYS 15 HB1 CYS 15 -1.445 -2.109 2.051 117 H VAL 16 HN VAL 16 -3.436 -1.307 -0.243 118 HA VAL 16 HA VAL 16 -5.370 -3.511 0.070 119 HB VAL 16 HB VAL 16 -4.946 -1.731 -2.341 120 HG11 VAL 16 HG11 VAL 16 -5.742 -3.959 -2.922 121 HG12 VAL 16 HG12 VAL 16 -6.995 -2.748 -3.194 122 HG13 VAL 16 HG13 VAL 16 -7.073 -3.793 -1.776 123 HG21 VAL 16 HG21 VAL 16 -7.121 -0.740 -1.771 124 HG22 VAL 16 HG22 VAL 16 -5.916 -0.460 -0.515 125 HG23 VAL 16 HG23 VAL 16 -7.155 -1.695 -0.287 126 H GLY 17 HN GLY 17 -4.605 -5.460 -0.401 127 HA2 GLY 17 HA2 GLY 17 -2.229 -5.636 -2.144 128 HA3 GLY 17 HA1 GLY 17 -2.563 -6.742 -0.818 129 H ARG 18 HN ARG 18 -2.441 -6.652 -3.999 130 HA ARG 18 HA ARG 18 -4.798 -8.375 -4.385 131 HB2 ARG 18 HB2 ARG 18 -4.742 -6.288 -5.740 132 HB3 ARG 18 HB1 ARG 18 -3.230 -6.823 -6.458 133 HG2 ARG 18 HG2 ARG 18 -5.124 -7.224 -7.937 134 HG3 ARG 18 HG1 ARG 18 -4.358 -8.737 -7.450 135 HD2 ARG 18 HD2 ARG 18 -6.810 -8.872 -7.401 136 HD3 ARG 18 HD1 ARG 18 -6.094 -9.124 -5.811 137 HE ARG 18 HE ARG 18 -6.977 -6.420 -6.431 138 HH11 ARG 18 HH11 ARG 18 -7.644 -9.467 -4.855 139 HH12 ARG 18 HH12 ARG 18 -8.868 -8.814 -3.817 140 HH21 ARG 18 HH21 ARG 18 -8.575 -5.538 -5.034 141 HH22 ARG 18 HH22 ARG 18 -9.382 -6.579 -3.904 Start of MODEL 8 1 H1 ARG 1 HT1 ARG 1 7.826 -5.966 -6.856 2 H2 ARG 1 HT2 ARG 1 6.136 -5.880 -6.817 3 H3 ARG 1 HT3 ARG 1 7.048 -5.145 -5.602 4 HA ARG 1 HA ARG 1 7.989 -3.599 -7.197 5 HB2 ARG 1 HB2 ARG 1 5.978 -4.795 -9.116 6 HB3 ARG 1 HB1 ARG 1 7.084 -3.474 -9.447 7 HG2 ARG 1 HG2 ARG 1 7.917 -6.296 -8.838 8 HG3 ARG 1 HG1 ARG 1 7.770 -5.610 -10.454 9 HD2 ARG 1 HD2 ARG 1 9.456 -3.916 -9.853 10 HD3 ARG 1 HD1 ARG 1 9.629 -4.679 -8.273 11 HE ARG 1 HE ARG 1 10.040 -6.437 -10.525 12 HH11 ARG 1 HH11 ARG 1 11.531 -4.252 -8.243 13 HH12 ARG 1 HH12 ARG 1 13.116 -4.932 -8.434 14 HH21 ARG 1 HH21 ARG 1 12.119 -7.334 -10.788 15 HH22 ARG 1 HH22 ARG 1 13.453 -6.684 -9.886 16 H GLY 2 HN GLY 2 4.608 -4.439 -7.891 17 HA2 GLY 2 HA2 GLY 2 3.670 -2.332 -6.116 18 HA3 GLY 2 HA1 GLY 2 3.351 -2.105 -7.831 19 H GLY 3 HN GLY 3 3.317 -5.017 -5.822 20 HA2 GLY 3 HA2 GLY 3 0.882 -5.934 -7.004 21 HA3 GLY 3 HA1 GLY 3 1.731 -6.680 -5.658 22 H ARG 4 HN ARG 4 1.653 -4.046 -4.211 23 HA ARG 4 HA ARG 4 -1.199 -4.042 -3.515 24 HB2 ARG 4 HB2 ARG 4 -0.603 -3.802 -1.148 25 HB3 ARG 4 HB1 ARG 4 0.017 -5.306 -1.813 26 HG2 ARG 4 HG2 ARG 4 2.232 -4.240 -2.054 27 HG3 ARG 4 HG1 ARG 4 1.586 -2.795 -1.275 28 HD2 ARG 4 HD2 ARG 4 2.726 -4.080 0.387 29 HD3 ARG 4 HD1 ARG 4 0.995 -4.202 0.690 30 HE ARG 4 HE ARG 4 2.074 -6.347 -0.907 31 HH11 ARG 4 HH11 ARG 4 1.379 -5.213 2.331 32 HH12 ARG 4 HH12 ARG 4 1.398 -6.801 3.029 33 HH21 ARG 4 HH21 ARG 4 2.103 -8.448 0.017 34 HH22 ARG 4 HH22 ARG 4 1.801 -8.637 1.715 35 H LEU 5 HN LEU 5 -2.069 -2.095 -2.862 36 HA LEU 5 HA LEU 5 -0.358 0.261 -3.322 37 HB2 LEU 5 HB2 LEU 5 -3.317 -0.056 -3.850 38 HB3 LEU 5 HB1 LEU 5 -2.410 1.430 -4.058 39 HG LEU 5 HG LEU 5 -1.948 -1.112 -5.624 40 HD11 LEU 5 HD11 LEU 5 -4.086 -0.082 -6.179 41 HD12 LEU 5 HD12 LEU 5 -2.929 0.108 -7.496 42 HD13 LEU 5 HD13 LEU 5 -3.283 1.467 -6.431 43 HD21 LEU 5 HD21 LEU 5 -0.529 0.305 -7.033 44 HD22 LEU 5 HD22 LEU 5 0.079 0.211 -5.381 45 HD23 LEU 5 HD23 LEU 5 -0.780 1.651 -5.925 46 H CYS 6 HN CYS 6 -0.079 1.500 -1.584 47 HA CYS 6 HA CYS 6 -1.935 1.107 0.661 48 HB2 CYS 6 HB2 CYS 6 0.963 1.963 0.779 49 HB3 CYS 6 HB1 CYS 6 -0.079 1.626 2.154 50 H TYR 7 HN TYR 7 -3.115 2.793 1.247 51 HA TYR 7 HA TYR 7 -2.323 5.450 0.243 52 HB2 TYR 7 HB2 TYR 7 -5.105 4.355 0.717 53 HB3 TYR 7 HB1 TYR 7 -4.732 5.985 0.175 54 HD1 TYR 7 HD1 TYR 7 -5.069 2.501 -0.796 55 HD2 TYR 7 HD2 TYR 7 -3.825 6.357 -2.093 56 HE1 TYR 7 HE1 TYR 7 -5.133 1.731 -3.130 57 HE2 TYR 7 HE2 TYR 7 -3.884 5.597 -4.429 58 HH TYR 7 HH TYR 7 -3.764 3.511 -5.689 59 H CYS 8 HN CYS 8 -1.733 6.788 1.798 60 HA CYS 8 HA CYS 8 -2.963 6.499 4.453 61 HB2 CYS 8 HB2 CYS 8 -0.439 7.993 3.705 62 HB3 CYS 8 HB1 CYS 8 -1.061 7.751 5.330 63 H ARG 9 HN ARG 9 -4.146 8.159 5.291 64 HA ARG 9 HA ARG 9 -4.269 10.673 3.815 65 HB2 ARG 9 HB2 ARG 9 -5.894 9.144 2.744 66 HB3 ARG 9 HB1 ARG 9 -6.691 8.930 4.294 67 HG2 ARG 9 HG2 ARG 9 -7.344 11.243 4.337 68 HG3 ARG 9 HG1 ARG 9 -6.423 11.563 2.864 69 HD2 ARG 9 HD2 ARG 9 -7.859 9.997 1.641 70 HD3 ARG 9 HD1 ARG 9 -8.788 9.713 3.111 71 HE ARG 9 HE ARG 9 -9.058 12.334 2.888 72 HH11 ARG 9 HH11 ARG 9 -9.239 9.879 0.401 73 HH12 ARG 9 HH12 ARG 9 -10.402 10.748 -0.551 74 HH21 ARG 9 HH21 ARG 9 -10.601 13.473 1.647 75 HH22 ARG 9 HH22 ARG 9 -11.183 12.782 0.166 76 H GLY 10 HN GLY 10 -3.866 12.065 5.389 77 HA2 GLY 10 HA2 GLY 10 -4.279 13.347 7.255 78 HA3 GLY 10 HA1 GLY 10 -5.728 12.393 7.534 79 H TRP 11 HN TRP 11 -5.730 11.109 9.248 80 HA TRP 11 HA TRP 11 -3.178 10.632 10.609 81 HB2 TRP 11 HB2 TRP 11 -5.984 10.456 11.720 82 HB3 TRP 11 HB1 TRP 11 -4.485 10.359 12.641 83 HD1 TRP 11 HD1 TRP 11 -2.962 12.706 12.608 84 HE1 TRP 11 HE1 TRP 11 -3.780 15.147 12.686 85 HE3 TRP 11 HE3 TRP 11 -7.795 11.988 11.110 86 HZ2 TRP 11 HZ2 TRP 11 -6.162 16.576 12.173 87 HZ3 TRP 11 HZ3 TRP 11 -9.277 13.943 10.930 88 HH2 TRP 11 HH2 TRP 11 -8.476 16.186 11.451 89 H ILE 12 HN ILE 12 -5.392 9.079 8.670 90 HA ILE 12 HA ILE 12 -4.787 6.463 9.880 91 HB ILE 12 HB ILE 12 -6.847 5.598 8.844 92 HG12 ILE 12 HG12 ILE 12 -7.442 8.494 8.189 93 HG13 ILE 12 HG11 ILE 12 -6.986 7.268 7.008 94 HG21 ILE 12 HG21 ILE 12 -8.435 6.684 10.374 95 HG22 ILE 12 HG22 ILE 12 -7.259 7.965 10.665 96 HG23 ILE 12 HG23 ILE 12 -6.900 6.309 11.156 97 HD11 ILE 12 HD11 ILE 12 -9.008 6.012 7.527 98 HD12 ILE 12 HD12 ILE 12 -9.384 7.656 7.013 99 HD13 ILE 12 HD13 ILE 12 -9.460 7.228 8.722 100 H CYS 13 HN CYS 13 -4.276 4.743 8.486 101 HA CYS 13 HA CYS 13 -4.019 5.353 5.646 102 HB2 CYS 13 HB2 CYS 13 -1.823 5.890 6.665 103 HB3 CYS 13 HB1 CYS 13 -1.734 4.245 7.289 104 H PHE 14 HN PHE 14 -4.282 3.609 4.331 105 HA PHE 14 HA PHE 14 -4.548 0.964 5.554 106 HB2 PHE 14 HB2 PHE 14 -6.711 0.587 4.441 107 HB3 PHE 14 HB1 PHE 14 -6.814 1.922 5.584 108 HD1 PHE 14 HD1 PHE 14 -7.086 4.209 4.801 109 HD2 PHE 14 HD2 PHE 14 -6.901 0.947 2.075 110 HE1 PHE 14 HE1 PHE 14 -7.971 5.653 3.017 111 HE2 PHE 14 HE2 PHE 14 -7.780 2.382 0.291 112 HZ PHE 14 HZ PHE 14 -8.318 4.741 0.758 113 H CYS 15 HN CYS 15 -4.404 -0.763 3.974 114 HA CYS 15 HA CYS 15 -3.400 0.120 1.375 115 HB2 CYS 15 HB2 CYS 15 -1.471 -0.246 2.923 116 HB3 CYS 15 HB1 CYS 15 -1.977 -1.922 3.092 117 H VAL 16 HN VAL 16 -3.988 -1.106 -0.296 118 HA VAL 16 HA VAL 16 -5.436 -3.598 0.306 119 HB VAL 16 HB VAL 16 -6.631 -3.178 -1.897 120 HG11 VAL 16 HG11 VAL 16 -7.055 -1.224 0.361 121 HG12 VAL 16 HG12 VAL 16 -7.736 -2.847 0.237 122 HG13 VAL 16 HG13 VAL 16 -8.232 -1.594 -0.901 123 HG21 VAL 16 HG21 VAL 16 -5.080 -1.502 -2.798 124 HG22 VAL 16 HG22 VAL 16 -5.534 -0.391 -1.508 125 HG23 VAL 16 HG23 VAL 16 -6.728 -0.879 -2.711 126 H GLY 17 HN GLY 17 -4.584 -5.404 -0.484 127 HA2 GLY 17 HA2 GLY 17 -2.496 -5.126 -2.550 128 HA3 GLY 17 HA1 GLY 17 -2.474 -6.340 -1.283 129 H ARG 18 HN ARG 18 -3.025 -5.863 -4.463 130 HA ARG 18 HA ARG 18 -4.003 -8.508 -4.812 131 HB2 ARG 18 HB2 ARG 18 -6.154 -7.395 -4.365 132 HB3 ARG 18 HB1 ARG 18 -5.827 -6.243 -5.653 133 HG2 ARG 18 HG2 ARG 18 -5.937 -7.977 -7.309 134 HG3 ARG 18 HG1 ARG 18 -6.081 -9.213 -6.061 135 HD2 ARG 18 HD2 ARG 18 -8.072 -6.997 -6.520 136 HD3 ARG 18 HD1 ARG 18 -8.235 -8.634 -7.151 137 HE ARG 18 HE ARG 18 -7.849 -8.617 -4.322 138 HH11 ARG 18 HH11 ARG 18 -10.251 -8.120 -6.819 139 HH12 ARG 18 HH12 ARG 18 -11.584 -8.562 -5.802 140 HH21 ARG 18 HH21 ARG 18 -9.599 -9.207 -2.981 141 HH22 ARG 18 HH22 ARG 18 -11.214 -9.180 -3.615 Start of MODEL 9 1 H1 ARG 1 HT1 ARG 1 2.468 0.313 -5.615 2 H2 ARG 1 HT2 ARG 1 0.895 0.095 -5.035 3 H3 ARG 1 HT3 ARG 1 1.477 1.655 -5.336 4 HA ARG 1 HA ARG 1 -0.024 0.940 -7.081 5 HB2 ARG 1 HB2 ARG 1 1.902 2.458 -7.557 6 HB3 ARG 1 HB1 ARG 1 2.858 1.054 -8.001 7 HG2 ARG 1 HG2 ARG 1 1.218 0.575 -9.803 8 HG3 ARG 1 HG1 ARG 1 0.398 2.083 -9.395 9 HD2 ARG 1 HD2 ARG 1 2.508 3.299 -9.838 10 HD3 ARG 1 HD1 ARG 1 3.244 1.782 -10.347 11 HE ARG 1 HE ARG 1 0.818 2.587 -11.736 12 HH11 ARG 1 HH11 ARG 1 4.319 2.440 -11.756 13 HH12 ARG 1 HH12 ARG 1 4.445 2.706 -13.464 14 HH21 ARG 1 HH21 ARG 1 0.988 2.952 -13.979 15 HH22 ARG 1 HH22 ARG 1 2.553 3.003 -14.727 16 H GLY 2 HN GLY 2 -0.751 -0.649 -8.438 17 HA2 GLY 2 HA2 GLY 2 -0.813 -2.622 -9.613 18 HA3 GLY 2 HA1 GLY 2 0.915 -2.773 -9.360 19 H GLY 3 HN GLY 3 1.687 -3.829 -7.503 20 HA2 GLY 3 HA2 GLY 3 0.240 -6.165 -6.881 21 HA3 GLY 3 HA1 GLY 3 1.708 -5.629 -6.078 22 H ARG 4 HN ARG 4 0.806 -3.215 -5.025 23 HA ARG 4 HA ARG 4 -1.609 -3.726 -3.528 24 HB2 ARG 4 HB2 ARG 4 -0.605 -3.532 -1.334 25 HB3 ARG 4 HB1 ARG 4 0.121 -4.882 -2.193 26 HG2 ARG 4 HG2 ARG 4 2.076 -3.506 -2.708 27 HG3 ARG 4 HG1 ARG 4 1.346 -2.155 -1.834 28 HD2 ARG 4 HD2 ARG 4 1.299 -3.545 0.205 29 HD3 ARG 4 HD1 ARG 4 2.099 -4.837 -0.684 30 HE ARG 4 HE ARG 4 3.646 -2.504 -0.883 31 HH11 ARG 4 HH11 ARG 4 2.678 -4.919 1.454 32 HH12 ARG 4 HH12 ARG 4 4.085 -4.710 2.449 33 HH21 ARG 4 HH21 ARG 4 5.513 -2.236 0.412 34 HH22 ARG 4 HH22 ARG 4 5.700 -3.176 1.855 35 H LEU 5 HN LEU 5 -2.461 -1.881 -2.559 36 HA LEU 5 HA LEU 5 -1.141 0.637 -3.334 37 HB2 LEU 5 HB2 LEU 5 -4.077 0.125 -2.855 38 HB3 LEU 5 HB1 LEU 5 -3.363 1.641 -3.364 39 HG LEU 5 HG LEU 5 -3.459 -0.907 -4.978 40 HD11 LEU 5 HD11 LEU 5 -4.874 1.732 -5.313 41 HD12 LEU 5 HD12 LEU 5 -5.608 0.211 -4.806 42 HD13 LEU 5 HD13 LEU 5 -4.947 0.370 -6.432 43 HD21 LEU 5 HD21 LEU 5 -1.412 0.325 -5.431 44 HD22 LEU 5 HD22 LEU 5 -2.339 1.802 -5.678 45 HD23 LEU 5 HD23 LEU 5 -2.525 0.450 -6.791 46 H CYS 6 HN CYS 6 -0.321 1.713 -1.672 47 HA CYS 6 HA CYS 6 -1.716 1.564 0.916 48 HB2 CYS 6 HB2 CYS 6 1.243 1.827 0.355 49 HB3 CYS 6 HB1 CYS 6 0.530 2.112 1.939 50 H TYR 7 HN TYR 7 -2.654 3.395 1.459 51 HA TYR 7 HA TYR 7 -1.402 5.921 0.620 52 HB2 TYR 7 HB2 TYR 7 -4.367 5.313 0.539 53 HB3 TYR 7 HB1 TYR 7 -3.633 6.877 0.197 54 HD1 TYR 7 HD1 TYR 7 -4.764 3.827 -1.196 55 HD2 TYR 7 HD2 TYR 7 -1.902 6.924 -1.749 56 HE1 TYR 7 HE1 TYR 7 -4.540 3.192 -3.559 57 HE2 TYR 7 HE2 TYR 7 -1.670 6.296 -4.114 58 HH TYR 7 HH TYR 7 -3.838 4.165 -5.668 59 H CYS 8 HN CYS 8 -0.927 7.095 2.341 60 HA CYS 8 HA CYS 8 -2.596 6.812 4.748 61 HB2 CYS 8 HB2 CYS 8 0.141 8.086 4.574 62 HB3 CYS 8 HB1 CYS 8 -0.735 7.644 6.029 63 H ARG 9 HN ARG 9 -3.998 8.402 5.097 64 HA ARG 9 HA ARG 9 -3.352 11.116 4.189 65 HB2 ARG 9 HB2 ARG 9 -5.942 9.658 3.628 66 HB3 ARG 9 HB1 ARG 9 -5.685 11.373 3.354 67 HG2 ARG 9 HG2 ARG 9 -4.002 10.896 1.688 68 HG3 ARG 9 HG1 ARG 9 -4.134 9.167 2.015 69 HD2 ARG 9 HD2 ARG 9 -6.340 10.931 0.956 70 HD3 ARG 9 HD1 ARG 9 -5.361 9.827 -0.008 71 HE ARG 9 HE ARG 9 -6.537 8.377 2.083 72 HH11 ARG 9 HH11 ARG 9 -7.447 10.039 -0.859 73 HH12 ARG 9 HH12 ARG 9 -8.857 9.070 -1.124 74 HH21 ARG 9 HH21 ARG 9 -8.396 7.083 1.726 75 HH22 ARG 9 HH22 ARG 9 -9.396 7.392 0.341 76 H GLY 10 HN GLY 10 -3.427 12.353 5.921 77 HA2 GLY 10 HA2 GLY 10 -4.209 13.325 7.858 78 HA3 GLY 10 HA1 GLY 10 -5.690 12.395 7.671 79 H TRP 11 HN TRP 11 -6.049 10.874 9.139 80 HA TRP 11 HA TRP 11 -3.718 9.740 10.529 81 HB2 TRP 11 HB2 TRP 11 -6.459 10.366 11.637 82 HB3 TRP 11 HB1 TRP 11 -5.239 9.431 12.497 83 HD1 TRP 11 HD1 TRP 11 -6.495 12.820 12.329 84 HE1 TRP 11 HE1 TRP 11 -4.787 14.522 13.236 85 HE3 TRP 11 HE3 TRP 11 -2.330 9.857 12.329 86 HZ2 TRP 11 HZ2 TRP 11 -2.033 14.593 13.859 87 HZ3 TRP 11 HZ3 TRP 11 -0.198 10.818 13.090 88 HH2 TRP 11 HH2 TRP 11 -0.053 13.136 13.836 89 H ILE 12 HN ILE 12 -5.541 8.957 8.158 90 HA ILE 12 HA ILE 12 -5.863 6.190 9.078 91 HB ILE 12 HB ILE 12 -8.093 7.005 8.832 92 HG12 ILE 12 HG12 ILE 12 -7.398 5.437 6.335 93 HG13 ILE 12 HG11 ILE 12 -7.602 4.736 7.940 94 HG21 ILE 12 HG21 ILE 12 -7.653 8.974 7.478 95 HG22 ILE 12 HG22 ILE 12 -8.943 8.004 6.767 96 HG23 ILE 12 HG23 ILE 12 -7.320 7.953 6.077 97 HD11 ILE 12 HD11 ILE 12 -9.588 4.421 6.578 98 HD12 ILE 12 HD12 ILE 12 -9.728 6.165 6.359 99 HD13 ILE 12 HD13 ILE 12 -9.931 5.458 7.961 100 H CYS 13 HN CYS 13 -4.522 4.906 8.105 101 HA CYS 13 HA CYS 13 -3.899 5.359 5.269 102 HB2 CYS 13 HB2 CYS 13 -1.952 5.927 6.716 103 HB3 CYS 13 HB1 CYS 13 -1.986 4.288 7.360 104 H PHE 14 HN PHE 14 -3.966 3.565 3.975 105 HA PHE 14 HA PHE 14 -4.528 1.003 5.266 106 HB2 PHE 14 HB2 PHE 14 -6.484 0.599 3.894 107 HB3 PHE 14 HB1 PHE 14 -6.706 2.089 4.805 108 HD1 PHE 14 HD1 PHE 14 -6.580 4.265 3.661 109 HD2 PHE 14 HD2 PHE 14 -6.384 0.592 1.520 110 HE1 PHE 14 HE1 PHE 14 -7.070 5.461 1.571 111 HE2 PHE 14 HE2 PHE 14 -6.869 1.782 -0.574 112 HZ PHE 14 HZ PHE 14 -7.213 4.222 -0.554 113 H CYS 15 HN CYS 15 -4.167 -0.810 3.980 114 HA CYS 15 HA CYS 15 -2.842 -0.337 1.405 115 HB2 CYS 15 HB2 CYS 15 -1.957 -2.215 3.603 116 HB3 CYS 15 HB1 CYS 15 -1.349 -2.294 1.953 117 H VAL 16 HN VAL 16 -3.566 -1.587 -0.208 118 HA VAL 16 HA VAL 16 -5.103 -3.988 0.442 119 HB VAL 16 HB VAL 16 -6.809 -2.275 0.245 120 HG11 VAL 16 HG11 VAL 16 -5.570 -1.668 -2.431 121 HG12 VAL 16 HG12 VAL 16 -5.752 -0.583 -1.051 122 HG13 VAL 16 HG13 VAL 16 -7.173 -1.120 -1.942 123 HG21 VAL 16 HG21 VAL 16 -6.732 -4.058 -2.183 124 HG22 VAL 16 HG22 VAL 16 -8.165 -3.248 -1.552 125 HG23 VAL 16 HG23 VAL 16 -7.354 -4.483 -0.590 126 H GLY 17 HN GLY 17 -4.625 -5.643 -0.831 127 HA2 GLY 17 HA2 GLY 17 -3.163 -5.067 -3.331 128 HA3 GLY 17 HA1 GLY 17 -2.862 -6.475 -2.320 129 H ARG 18 HN ARG 18 -4.486 -5.304 -4.995 130 HA ARG 18 HA ARG 18 -6.220 -7.679 -5.049 131 HB2 ARG 18 HB2 ARG 18 -7.507 -5.574 -4.721 132 HB3 ARG 18 HB1 ARG 18 -6.846 -4.965 -6.231 133 HG2 ARG 18 HG2 ARG 18 -7.956 -6.724 -7.467 134 HG3 ARG 18 HG1 ARG 18 -8.561 -7.425 -5.963 135 HD2 ARG 18 HD2 ARG 18 -9.791 -5.337 -5.518 136 HD3 ARG 18 HD1 ARG 18 -9.226 -4.694 -7.060 137 HE ARG 18 HE ARG 18 -10.458 -7.082 -7.658 138 HH11 ARG 18 HH11 ARG 18 -11.379 -4.067 -6.145 139 HH12 ARG 18 HH12 ARG 18 -13.038 -4.170 -6.645 140 HH21 ARG 18 HH21 ARG 18 -12.642 -7.225 -8.333 141 HH22 ARG 18 HH22 ARG 18 -13.752 -5.960 -7.903 Start of MODEL 10 1 H1 ARG 1 HT1 ARG 1 1.565 -11.992 -12.705 2 H2 ARG 1 HT2 ARG 1 0.077 -12.138 -11.911 3 H3 ARG 1 HT3 ARG 1 1.517 -12.230 -11.032 4 HA ARG 1 HA ARG 1 2.028 -9.952 -11.511 5 HB2 ARG 1 HB2 ARG 1 -0.572 -10.068 -13.039 6 HB3 ARG 1 HB1 ARG 1 0.192 -8.560 -12.564 7 HG2 ARG 1 HG2 ARG 1 1.459 -10.655 -14.313 8 HG3 ARG 1 HG1 ARG 1 0.656 -9.195 -14.894 9 HD2 ARG 1 HD2 ARG 1 2.267 -7.825 -13.660 10 HD3 ARG 1 HD1 ARG 1 3.067 -9.286 -13.088 11 HE ARG 1 HE ARG 1 2.934 -9.269 -15.915 12 HH11 ARG 1 HH11 ARG 1 4.631 -7.819 -13.225 13 HH12 ARG 1 HH12 ARG 1 6.061 -7.481 -14.143 14 HH21 ARG 1 HH21 ARG 1 4.823 -8.852 -17.127 15 HH22 ARG 1 HH22 ARG 1 6.169 -8.070 -16.361 16 H GLY 2 HN GLY 2 0.677 -8.020 -10.578 17 HA2 GLY 2 HA2 GLY 2 -1.548 -8.335 -8.991 18 HA3 GLY 2 HA1 GLY 2 -0.195 -8.861 -7.997 19 H GLY 3 HN GLY 3 -0.186 -7.191 -6.542 20 HA2 GLY 3 HA2 GLY 3 1.352 -5.039 -6.802 21 HA3 GLY 3 HA1 GLY 3 -0.136 -4.459 -7.532 22 H ARG 4 HN ARG 4 1.302 -3.637 -5.093 23 HA ARG 4 HA ARG 4 -0.970 -3.904 -3.241 24 HB2 ARG 4 HB2 ARG 4 1.942 -3.483 -2.517 25 HB3 ARG 4 HB1 ARG 4 0.604 -3.616 -1.383 26 HG2 ARG 4 HG2 ARG 4 0.228 -5.917 -2.053 27 HG3 ARG 4 HG1 ARG 4 1.509 -5.794 -3.258 28 HD2 ARG 4 HD2 ARG 4 2.418 -6.910 -1.359 29 HD3 ARG 4 HD1 ARG 4 3.097 -5.285 -1.394 30 HE ARG 4 HE ARG 4 0.743 -5.613 0.259 31 HH11 ARG 4 HH11 ARG 4 4.234 -5.541 0.099 32 HH12 ARG 4 HH12 ARG 4 4.440 -5.321 1.808 33 HH21 ARG 4 HH21 ARG 4 1.006 -5.317 2.522 34 HH22 ARG 4 HH22 ARG 4 2.606 -5.174 3.178 35 H LEU 5 HN LEU 5 -2.040 -2.067 -3.030 36 HA LEU 5 HA LEU 5 -0.604 0.468 -3.477 37 HB2 LEU 5 HB2 LEU 5 -3.514 -0.146 -4.021 38 HB3 LEU 5 HB1 LEU 5 -2.739 1.409 -4.254 39 HG LEU 5 HG LEU 5 -2.147 -1.121 -5.794 40 HD11 LEU 5 HD11 LEU 5 -3.471 1.454 -6.632 41 HD12 LEU 5 HD12 LEU 5 -4.281 -0.089 -6.376 42 HD13 LEU 5 HD13 LEU 5 -3.109 0.083 -7.681 43 HD21 LEU 5 HD21 LEU 5 -0.709 0.299 -7.176 44 HD22 LEU 5 HD22 LEU 5 -0.133 0.210 -5.512 45 HD23 LEU 5 HD23 LEU 5 -0.986 1.648 -6.075 46 H CYS 6 HN CYS 6 -0.439 1.662 -1.693 47 HA CYS 6 HA CYS 6 -2.513 1.320 0.358 48 HB2 CYS 6 HB2 CYS 6 -0.298 0.326 0.978 49 HB3 CYS 6 HB1 CYS 6 0.400 1.939 0.871 50 H TYR 7 HN TYR 7 -3.472 3.095 1.123 51 HA TYR 7 HA TYR 7 -2.406 5.690 0.230 52 HB2 TYR 7 HB2 TYR 7 -5.299 4.815 0.391 53 HB3 TYR 7 HB1 TYR 7 -4.769 6.460 0.051 54 HD1 TYR 7 HD1 TYR 7 -3.492 6.921 -2.054 55 HD2 TYR 7 HD2 TYR 7 -5.354 3.167 -1.319 56 HE1 TYR 7 HE1 TYR 7 -3.341 6.383 -4.448 57 HE2 TYR 7 HE2 TYR 7 -5.206 2.619 -3.712 58 HH TYR 7 HH TYR 7 -3.275 4.345 -5.874 59 H CYS 8 HN CYS 8 -1.912 7.003 1.830 60 HA CYS 8 HA CYS 8 -3.378 6.814 4.358 61 HB2 CYS 8 HB2 CYS 8 -0.361 6.925 4.197 62 HB3 CYS 8 HB1 CYS 8 -1.341 6.758 5.648 63 H ARG 9 HN ARG 9 -3.967 8.752 5.070 64 HA ARG 9 HA ARG 9 -2.323 11.091 4.572 65 HB2 ARG 9 HB2 ARG 9 -3.682 10.996 2.541 66 HB3 ARG 9 HB1 ARG 9 -5.147 10.881 3.503 67 HG2 ARG 9 HG2 ARG 9 -4.917 13.118 2.663 68 HG3 ARG 9 HG1 ARG 9 -4.691 13.131 4.412 69 HD2 ARG 9 HD2 ARG 9 -2.258 13.170 4.080 70 HD3 ARG 9 HD1 ARG 9 -2.504 13.190 2.335 71 HE ARG 9 HE ARG 9 -3.753 15.334 3.862 72 HH11 ARG 9 HH11 ARG 9 -1.091 14.293 1.847 73 HH12 ARG 9 HH12 ARG 9 -0.597 15.905 1.441 74 HH21 ARG 9 HH21 ARG 9 -3.118 17.462 3.326 75 HH22 ARG 9 HH22 ARG 9 -1.755 17.718 2.283 76 H GLY 10 HN GLY 10 -2.129 11.681 6.645 77 HA2 GLY 10 HA2 GLY 10 -2.866 12.924 8.476 78 HA3 GLY 10 HA1 GLY 10 -4.527 12.632 7.980 79 H TRP 11 HN TRP 11 -5.670 11.163 9.068 80 HA TRP 11 HA TRP 11 -4.206 9.533 11.029 81 HB2 TRP 11 HB2 TRP 11 -7.067 10.514 11.112 82 HB3 TRP 11 HB1 TRP 11 -6.275 9.551 12.358 83 HD1 TRP 11 HD1 TRP 11 -6.589 13.096 11.073 84 HE1 TRP 11 HE1 TRP 11 -5.341 14.690 12.661 85 HE3 TRP 11 HE3 TRP 11 -4.197 9.637 13.980 86 HZ2 TRP 11 HZ2 TRP 11 -3.578 14.504 14.855 87 HZ3 TRP 11 HZ3 TRP 11 -2.748 10.429 15.804 88 HH2 TRP 11 HH2 TRP 11 -2.446 12.814 16.230 89 H ILE 12 HN ILE 12 -5.685 9.256 8.120 90 HA ILE 12 HA ILE 12 -6.605 6.527 8.701 91 HB ILE 12 HB ILE 12 -8.436 7.848 7.854 92 HG12 ILE 12 HG12 ILE 12 -8.986 6.582 5.770 93 HG13 ILE 12 HG11 ILE 12 -7.337 5.969 5.758 94 HG21 ILE 12 HG21 ILE 12 -8.393 8.916 5.653 95 HG22 ILE 12 HG22 ILE 12 -6.689 8.490 5.486 96 HG23 ILE 12 HG23 ILE 12 -7.197 9.614 6.747 97 HD11 ILE 12 HD11 ILE 12 -9.375 5.498 7.922 98 HD12 ILE 12 HD12 ILE 12 -7.725 4.877 7.902 99 HD13 ILE 12 HD13 ILE 12 -8.880 4.342 6.684 100 H CYS 13 HN CYS 13 -5.407 4.943 7.960 101 HA CYS 13 HA CYS 13 -3.878 5.257 5.496 102 HB2 CYS 13 HB2 CYS 13 -2.307 5.952 7.216 103 HB3 CYS 13 HB1 CYS 13 -2.676 4.530 8.176 104 H PHE 14 HN PHE 14 -4.364 3.538 4.286 105 HA PHE 14 HA PHE 14 -4.538 0.914 5.552 106 HB2 PHE 14 HB2 PHE 14 -6.668 0.366 4.542 107 HB3 PHE 14 HB1 PHE 14 -6.860 1.828 5.500 108 HD1 PHE 14 HD1 PHE 14 -7.172 4.001 4.396 109 HD2 PHE 14 HD2 PHE 14 -6.933 0.380 2.179 110 HE1 PHE 14 HE1 PHE 14 -8.123 5.142 2.434 111 HE2 PHE 14 HE2 PHE 14 -7.874 1.508 0.218 112 HZ PHE 14 HZ PHE 14 -8.475 3.895 0.338 113 H CYS 15 HN CYS 15 -4.116 -0.801 4.145 114 HA CYS 15 HA CYS 15 -3.033 0.021 1.539 115 HB2 CYS 15 HB2 CYS 15 -1.910 -2.187 3.257 116 HB3 CYS 15 HB1 CYS 15 -1.203 -1.495 1.806 117 H VAL 16 HN VAL 16 -3.600 -1.183 -0.199 118 HA VAL 16 HA VAL 16 -5.178 -3.628 0.302 119 HB VAL 16 HB VAL 16 -5.426 -1.820 -2.106 120 HG11 VAL 16 HG11 VAL 16 -7.508 -3.057 -2.493 121 HG12 VAL 16 HG12 VAL 16 -7.165 -4.063 -1.086 122 HG13 VAL 16 HG13 VAL 16 -6.102 -4.121 -2.492 123 HG21 VAL 16 HG21 VAL 16 -7.514 -0.993 -1.136 124 HG22 VAL 16 HG22 VAL 16 -6.129 -0.593 -0.118 125 HG23 VAL 16 HG23 VAL 16 -7.199 -1.919 0.332 126 H GLY 17 HN GLY 17 -4.182 -5.427 -0.374 127 HA2 GLY 17 HA2 GLY 17 -2.488 -5.255 -2.774 128 HA3 GLY 17 HA1 GLY 17 -1.874 -6.031 -1.322 129 H ARG 18 HN ARG 18 -2.242 -7.181 -3.948 130 HA ARG 18 HA ARG 18 -4.335 -9.169 -3.357 131 HB2 ARG 18 HB2 ARG 18 -3.201 -8.258 -6.006 132 HB3 ARG 18 HB1 ARG 18 -4.299 -9.619 -5.823 133 HG2 ARG 18 HG2 ARG 18 -6.032 -8.157 -4.988 134 HG3 ARG 18 HG1 ARG 18 -4.929 -6.780 -5.040 135 HD2 ARG 18 HD2 ARG 18 -5.717 -8.409 -7.450 136 HD3 ARG 18 HD1 ARG 18 -6.517 -6.915 -6.966 137 HE ARG 18 HE ARG 18 -4.100 -5.983 -7.166 138 HH11 ARG 18 HH11 ARG 18 -5.553 -8.408 -9.233 139 HH12 ARG 18 HH12 ARG 18 -4.647 -7.939 -10.633 140 HH21 ARG 18 HH21 ARG 18 -2.911 -5.359 -9.004 141 HH22 ARG 18 HH22 ARG 18 -3.129 -6.212 -10.502
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