NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
558228 | 2m2h | 18914 | 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 H GLY 1 10.645 -0.303 -3.857 2 HA2 GLY 1 2HA GLY 1 11.325 -2.503 -3.958 3 HA3 GLY 1 1HA GLY 1 12.414 -2.133 -2.634 4 H VAL 2 H VAL 2 10.009 -0.882 -1.207 5 HA VAL 2 HA VAL 2 9.259 -3.355 0.087 6 HB VAL 2 HB VAL 2 8.541 -0.492 0.810 7 HG11 VAL 2 1HG1 VAL 2 6.958 -2.087 1.745 8 HG12 VAL 2 2HG1 VAL 2 7.963 -1.395 3.017 9 HG13 VAL 2 3HG1 VAL 2 8.285 -3.027 2.430 10 HG21 VAL 2 3HG2 VAL 2 10.941 -0.838 0.934 11 HG22 VAL 2 1HG2 VAL 2 10.707 -2.281 1.920 12 HG23 VAL 2 2HG2 VAL 2 10.264 -0.701 2.559 13 H ABA 3 H ABU 3 7.717 -4.403 -0.996 14 HA ABA 3 HA ABU 3 5.576 -3.065 -2.349 15 HB3 ABA 3 1HB ABU 3 5.863 -5.986 -1.563 16 HB2 ABA 3 2HB ABU 3 6.409 -5.292 -3.084 17 HG1 ABA 3 1HG ABU 3 4.105 -4.748 -3.674 18 HG3 ABA 3 3HG ABU 3 4.310 -6.472 -3.371 19 HG2 ABA 3 2HG ABU 3 3.553 -5.445 -2.154 20 H ARG 4 H ARG 4 4.110 -2.027 -1.223 21 HA ARG 4 HA ARG 4 3.238 -3.181 1.324 22 HB2 ARG 4 2HB ARG 4 4.481 -1.125 1.670 23 HB3 ARG 4 1HB ARG 4 3.476 -0.290 0.501 24 HG2 ARG 4 2HG ARG 4 1.545 -0.525 1.972 25 HG3 ARG 4 1HG ARG 4 2.539 -1.404 3.138 26 HD2 ARG 4 2HD ARG 4 3.098 1.404 2.200 27 HD3 ARG 4 1HD ARG 4 2.233 1.014 3.691 28 HE ARG 4 HE ARG 4 4.362 -0.301 4.193 29 HH11 ARG 4 1HH1 ARG 4 4.357 2.825 2.471 30 HH12 ARG 4 2HH1 ARG 4 5.873 3.298 3.075 31 HH21 ARG 4 1HH2 ARG 4 6.433 0.405 5.055 32 HH22 ARG 4 2HH2 ARG 4 7.065 1.907 4.575 33 H CYS 5 H CYS 5 1.224 -3.777 1.407 34 HA CYS 5 HA CYS 5 -0.652 -2.784 -0.582 35 HB2 CYS 5 2HB CYS 5 -0.928 -5.088 1.355 36 HB3 CYS 5 1HB CYS 5 -2.040 -4.640 0.060 37 H VAL 6 H VAL 6 -1.806 -1.230 -0.097 38 HA VAL 6 HA VAL 6 -2.448 -0.664 2.721 39 HB VAL 6 HB VAL 6 -2.448 1.309 0.434 40 HG11 VAL 6 1HG1 VAL 6 -2.425 3.018 2.189 41 HG12 VAL 6 2HG1 VAL 6 -2.471 1.748 3.409 42 HG13 VAL 6 3HG1 VAL 6 -3.832 1.959 2.307 43 HG21 VAL 6 3HG2 VAL 6 -0.161 0.532 0.708 44 HG22 VAL 6 1HG2 VAL 6 -0.236 0.859 2.439 45 HG23 VAL 6 2HG2 VAL 6 -0.309 2.191 1.285 46 H ABA 7 H ABU 7 -4.542 -0.556 3.184 47 HA ABA 7 HA ABU 7 -6.463 -1.170 1.126 48 HB3 ABA 7 1HB ABU 7 -8.075 -1.249 3.004 49 HB2 ABA 7 2HB ABU 7 -6.804 -0.733 4.105 50 HG1 ABA 7 1HG ABU 7 -5.554 -2.774 3.636 51 HG3 ABA 7 3HG ABU 7 -7.169 -3.134 4.251 52 HG2 ABA 7 2HG ABU 7 -6.825 -3.297 2.529 53 H ARG 8 H ARG 8 -7.191 0.403 -0.042 54 HA ARG 8 HA ARG 8 -7.557 3.060 1.142 55 HB2 ARG 8 2HB ARG 8 -7.039 2.279 -1.734 56 HB3 ARG 8 1HB ARG 8 -7.416 3.903 -1.198 57 HG2 ARG 8 2HG ARG 8 -4.985 2.339 -0.333 58 HG3 ARG 8 1HG ARG 8 -5.005 3.517 -1.645 59 HD2 ARG 8 2HD ARG 8 -4.131 4.602 0.305 60 HD3 ARG 8 1HD ARG 8 -5.741 5.238 0.016 61 HE ARG 8 HE ARG 8 -5.921 3.103 1.838 62 HH11 ARG 8 1HH1 ARG 8 -4.709 6.424 1.729 63 HH12 ARG 8 2HH1 ARG 8 -4.926 6.698 3.386 64 HH21 ARG 8 1HH2 ARG 8 -6.220 3.463 4.081 65 HH22 ARG 8 2HH2 ARG 8 -5.770 4.964 4.762 66 H ARG 9 H ARG 9 -9.544 2.933 1.852 67 HA ARG 9 HA ARG 9 -11.757 2.774 1.942 68 HB2 ARG 9 2HB ARG 9 -11.440 4.715 0.402 69 HB3 ARG 9 1HB ARG 9 -11.557 3.618 -0.957 70 HG2 ARG 9 2HG ARG 9 -13.858 3.252 -0.595 71 HG3 ARG 9 1HG ARG 9 -13.801 3.979 1.011 72 HD2 ARG 9 2HD ARG 9 -13.307 5.426 -1.590 73 HD3 ARG 9 1HD ARG 9 -14.786 5.515 -0.627 74 HE ARG 9 HE ARG 9 -12.970 6.212 1.167 75 HH11 ARG 9 1HH1 ARG 9 -13.438 7.440 -2.138 76 HH12 ARG 9 2HH1 ARG 9 -12.709 8.943 -1.784 77 HH21 ARG 9 1HH2 ARG 9 -11.981 8.298 1.592 78 HH22 ARG 9 2HH2 ARG 9 -11.903 9.436 0.327 79 H GLY 10 H GLY 10 -10.800 0.376 1.870 80 HA2 GLY 10 2HA GLY 10 -11.829 -1.680 1.716 81 HA3 GLY 10 1HA GLY 10 -12.797 -0.996 0.424 82 H VAL 11 H VAL 11 -10.373 -0.021 -1.045 83 HA VAL 11 HA VAL 11 -9.960 -2.520 -2.446 84 HB VAL 11 HB VAL 11 -8.974 0.257 -3.175 85 HG11 VAL 11 1HG1 VAL 11 -7.727 -1.523 -4.290 86 HG12 VAL 11 2HG1 VAL 11 -8.736 -0.641 -5.438 87 HG13 VAL 11 3HG1 VAL 11 -9.237 -2.230 -4.869 88 HG21 VAL 11 3HG2 VAL 11 -10.871 0.318 -4.741 89 HG22 VAL 11 1HG2 VAL 11 -11.399 0.232 -3.060 90 HG23 VAL 11 2HG2 VAL 11 -11.447 -1.208 -4.078 91 H ABA 12 H ABU 12 -8.154 -3.690 -2.410 92 HA ABA 12 HA ABU 12 -6.048 -2.875 -0.589 93 HB3 ABA 12 1HB ABU 12 -6.396 -5.446 -2.160 94 HB2 ABA 12 2HB ABU 12 -6.946 -5.193 -0.511 95 HG1 ABA 12 1HG ABU 12 -4.640 -4.906 0.229 96 HG3 ABA 12 3HG ABU 12 -4.872 -6.464 -0.565 97 HG2 ABA 12 2HG ABU 12 -4.078 -5.142 -1.424 98 H ARG 13 H ARG 13 -4.611 -1.518 -1.421 99 HA ARG 13 HA ARG 13 -3.812 -1.826 -4.227 100 HB2 ARG 13 2HB ARG 13 -3.466 0.517 -2.358 101 HB3 ARG 13 1HB ARG 13 -2.976 0.471 -4.044 102 HG2 ARG 13 2HG ARG 13 -5.798 0.291 -3.010 103 HG3 ARG 13 1HG ARG 13 -5.052 1.700 -3.768 104 HD2 ARG 13 2HD ARG 13 -5.513 -0.980 -5.065 105 HD3 ARG 13 1HD ARG 13 -6.467 0.460 -5.346 106 HE ARG 13 HE ARG 13 -3.620 0.184 -6.043 107 HH11 ARG 13 1HH1 ARG 13 -6.798 1.568 -6.674 108 HH12 ARG 13 2HH1 ARG 13 -6.437 2.161 -8.216 109 HH21 ARG 13 1HH2 ARG 13 -3.045 0.983 -8.132 110 HH22 ARG 13 2HH2 ARG 13 -4.196 1.829 -9.078 111 H CYS 14 H CYS 14 -2.057 -3.028 -4.414 112 HA CYS 14 HA CYS 14 0.050 -2.780 -2.403 113 HB2 CYS 14 2HB CYS 14 -0.230 -4.775 -4.653 114 HB3 CYS 14 1HB CYS 14 0.995 -4.769 -3.384 115 H VAL 15 H VAL 15 1.516 -1.451 -2.726 116 HA VAL 15 HA VAL 15 2.351 -0.776 -5.471 117 HB VAL 15 HB VAL 15 2.187 1.183 -3.174 118 HG11 VAL 15 1HG1 VAL 15 2.535 2.901 -4.873 119 HG12 VAL 15 2HG1 VAL 15 2.673 1.646 -6.103 120 HG13 VAL 15 3HG1 VAL 15 3.870 1.748 -4.808 121 HG21 VAL 15 3HG2 VAL 15 -0.086 0.561 -3.816 122 HG22 VAL 15 1HG2 VAL 15 0.283 0.930 -5.498 123 HG23 VAL 15 2HG2 VAL 15 0.260 2.224 -4.303 124 H ABA 16 H ABU 16 4.540 -0.703 -5.700 125 HA ABA 16 HA ABU 16 6.100 -1.449 -3.392 126 HB3 ABA 16 1HB ABU 16 6.531 -2.752 -5.370 127 HB2 ABA 16 2HB ABU 16 7.959 -1.804 -4.996 128 HG1 ABA 16 1HG ABU 16 7.380 -0.217 -6.767 129 HG3 ABA 16 3HG ABU 16 7.582 -1.856 -7.383 130 HG2 ABA 16 2HG ABU 16 5.966 -1.188 -7.167 131 H ARG 17 H ARG 17 7.010 -0.066 -2.181 132 HA ARG 17 HA ARG 17 7.750 2.545 -3.294 133 HB2 ARG 17 2HB ARG 17 6.957 1.889 -0.442 134 HB3 ARG 17 1HB ARG 17 7.389 3.477 -1.055 135 HG2 ARG 17 2HG ARG 17 4.986 1.869 -1.919 136 HG3 ARG 17 1HG ARG 17 4.966 3.198 -0.763 137 HD2 ARG 17 2HD ARG 17 5.869 3.462 -3.638 138 HD3 ARG 17 1HD ARG 17 4.239 3.809 -3.081 139 HE ARG 17 HE ARG 17 6.121 5.264 -1.559 140 HH11 ARG 17 1HH1 ARG 17 4.775 5.244 -4.865 141 HH12 ARG 17 2HH1 ARG 17 4.810 6.939 -5.016 142 HH21 ARG 17 1HH2 ARG 17 6.157 7.627 -1.834 143 HH22 ARG 17 2HH2 ARG 17 5.599 8.306 -3.284 144 H ARG 18 H ARG 18 9.807 2.303 -3.735 145 HA ARG 18 HA ARG 18 11.984 1.934 -3.612 146 HB2 ARG 18 2HB ARG 18 11.838 3.725 -1.912 147 HB3 ARG 18 1HB ARG 18 11.555 2.532 -0.662 148 HG2 ARG 18 2HG ARG 18 13.862 3.492 -0.706 149 HG3 ARG 18 1HG ARG 18 13.804 1.732 -0.814 150 HD2 ARG 18 2HD ARG 18 15.443 2.678 -2.355 151 HD3 ARG 18 1HD ARG 18 14.148 1.862 -3.221 152 HE ARG 18 HE ARG 18 13.797 4.703 -2.874 153 HH11 ARG 18 1HH1 ARG 18 15.012 2.143 -5.019 154 HH12 ARG 18 2HH1 ARG 18 15.070 3.138 -6.395 155 HH21 ARG 18 1HH2 ARG 18 13.848 6.043 -4.777 156 HH22 ARG 18 2HH2 ARG 18 14.393 5.403 -6.258 Start of MODEL 2 1 H1 GLY 1 H GLY 1 10.597 -1.200 -4.255 2 HA2 GLY 1 2HA GLY 1 10.809 -3.489 -4.236 3 HA3 GLY 1 1HA GLY 1 11.996 -3.283 -2.956 4 H VAL 2 H VAL 2 10.122 -1.514 -1.407 5 HA VAL 2 HA VAL 2 8.885 -3.700 -0.021 6 HB VAL 2 HB VAL 2 8.978 -0.748 0.687 7 HG11 VAL 2 1HG1 VAL 2 8.192 -1.428 2.916 8 HG12 VAL 2 2HG1 VAL 2 8.028 -3.090 2.355 9 HG13 VAL 2 3HG1 VAL 2 7.001 -1.826 1.677 10 HG21 VAL 2 3HG2 VAL 2 11.150 -1.838 0.750 11 HG22 VAL 2 1HG2 VAL 2 10.493 -3.115 1.771 12 HG23 VAL 2 2HG2 VAL 2 10.594 -1.466 2.385 13 H ABA 3 H ABU 3 7.103 -4.416 -0.747 14 HA ABA 3 HA ABU 3 5.213 -2.808 -2.191 15 HB3 ABA 3 1HB ABU 3 5.073 -5.701 -1.297 16 HB2 ABA 3 2HB ABU 3 5.730 -5.153 -2.830 17 HG1 ABA 3 1HG ABU 3 2.875 -4.866 -1.941 18 HG3 ABA 3 3HG ABU 3 3.538 -4.303 -3.475 19 HG2 ABA 3 2HG ABU 3 3.495 -6.030 -3.114 20 H ARG 4 H ARG 4 4.414 -1.349 -0.766 21 HA ARG 4 HA ARG 4 3.249 -2.235 1.742 22 HB2 ARG 4 2HB ARG 4 4.513 -0.107 1.698 23 HB3 ARG 4 1HB ARG 4 3.386 0.533 0.512 24 HG2 ARG 4 2HG ARG 4 2.842 1.427 2.688 25 HG3 ARG 4 1HG ARG 4 1.560 0.324 2.181 26 HD2 ARG 4 2HD ARG 4 2.627 -1.457 3.551 27 HD3 ARG 4 1HD ARG 4 3.797 -0.264 4.111 28 HE ARG 4 HE ARG 4 0.949 0.233 4.549 29 HH11 ARG 4 1HH1 ARG 4 4.105 -0.554 5.906 30 HH12 ARG 4 2HH1 ARG 4 3.614 -0.374 7.525 31 HH21 ARG 4 1HH2 ARG 4 0.282 0.487 6.746 32 HH22 ARG 4 2HH2 ARG 4 1.401 0.245 8.020 33 H CYS 5 H CYS 5 1.211 -2.953 1.755 34 HA CYS 5 HA CYS 5 -0.560 -2.048 -0.371 35 HB2 CYS 5 2HB CYS 5 -0.812 -4.442 1.443 36 HB3 CYS 5 1HB CYS 5 -1.887 -4.013 0.115 37 H VAL 6 H VAL 6 -1.899 -0.607 0.054 38 HA VAL 6 HA VAL 6 -2.851 -0.194 2.814 39 HB VAL 6 HB VAL 6 -2.879 1.784 0.529 40 HG11 VAL 6 1HG1 VAL 6 -3.281 3.478 2.255 41 HG12 VAL 6 2HG1 VAL 6 -3.301 2.213 3.477 42 HG13 VAL 6 3HG1 VAL 6 -4.545 2.247 2.228 43 HG21 VAL 6 3HG2 VAL 6 -0.980 2.931 1.609 44 HG22 VAL 6 1HG2 VAL 6 -0.555 1.305 1.076 45 HG23 VAL 6 2HG2 VAL 6 -0.874 1.618 2.782 46 H ABA 7 H ABU 7 -4.996 -0.341 3.095 47 HA ABA 7 HA ABU 7 -6.563 -1.153 0.775 48 HB3 ABA 7 1HB ABU 7 -8.174 -2.049 2.444 49 HB2 ABA 7 2HB ABU 7 -7.089 -1.534 3.725 50 HG1 ABA 7 1HG ABU 7 -6.848 -3.907 3.289 51 HG3 ABA 7 3HG ABU 7 -6.451 -3.570 1.605 52 HG2 ABA 7 2HG ABU 7 -5.364 -3.042 2.887 53 H ARG 8 H ARG 8 -7.137 0.734 -0.087 54 HA ARG 8 HA ARG 8 -8.464 2.685 1.621 55 HB2 ARG 8 2HB ARG 8 -8.393 4.208 -0.345 56 HB3 ARG 8 1HB ARG 8 -6.795 3.636 0.106 57 HG2 ARG 8 2HG ARG 8 -6.822 2.063 -1.760 58 HG3 ARG 8 1HG ARG 8 -8.458 2.573 -2.175 59 HD2 ARG 8 2HD ARG 8 -5.942 4.239 -2.275 60 HD3 ARG 8 1HD ARG 8 -6.909 3.691 -3.642 61 HE ARG 8 HE ARG 8 -7.414 5.901 -1.882 62 HH11 ARG 8 1HH1 ARG 8 -8.862 3.760 -4.302 63 HH12 ARG 8 2HH1 ARG 8 -10.132 4.817 -4.698 64 HH21 ARG 8 1HH2 ARG 8 -9.161 7.372 -2.442 65 HH22 ARG 8 2HH2 ARG 8 -10.299 6.917 -3.611 66 H ARG 9 H ARG 9 -10.537 2.414 1.943 67 HA ARG 9 HA ARG 9 -12.679 1.759 1.747 68 HB2 ARG 9 2HB ARG 9 -12.625 3.570 -0.008 69 HB3 ARG 9 1HB ARG 9 -12.250 2.355 -1.212 70 HG2 ARG 9 2HG ARG 9 -14.597 3.030 -1.320 71 HG3 ARG 9 1HG ARG 9 -14.447 1.330 -0.877 72 HD2 ARG 9 2HD ARG 9 -16.148 2.457 0.472 73 HD3 ARG 9 1HD ARG 9 -14.802 1.900 1.464 74 HE ARG 9 HE ARG 9 -14.687 4.639 0.532 75 HH11 ARG 9 1HH1 ARG 9 -15.515 2.473 3.213 76 HH12 ARG 9 2HH1 ARG 9 -15.391 3.677 4.403 77 HH21 ARG 9 1HH2 ARG 9 -14.569 6.290 2.157 78 HH22 ARG 9 2HH2 ARG 9 -14.850 5.895 3.795 79 H GLY 10 H GLY 10 -10.932 -0.264 1.925 80 HA2 GLY 10 2HA GLY 10 -10.955 -2.532 1.863 81 HA3 GLY 10 1HA GLY 10 -12.339 -2.400 0.785 82 H VAL 11 H VAL 11 -10.398 -0.578 -0.895 83 HA VAL 11 HA VAL 11 -9.604 -2.724 -2.639 84 HB VAL 11 HB VAL 11 -9.169 0.268 -2.933 85 HG11 VAL 11 1HG1 VAL 11 -8.991 -1.954 -4.960 86 HG12 VAL 11 2HG1 VAL 11 -7.649 -0.986 -4.343 87 HG13 VAL 11 3HG1 VAL 11 -8.902 -0.237 -5.335 88 HG21 VAL 11 3HG2 VAL 11 -11.362 -1.481 -4.045 89 HG22 VAL 11 1HG2 VAL 11 -11.114 0.218 -4.445 90 HG23 VAL 11 2HG2 VAL 11 -11.542 -0.252 -2.798 91 H ABA 12 H ABU 12 -7.695 -3.638 -2.642 92 HA ABA 12 HA ABU 12 -5.674 -2.691 -0.820 93 HB3 ABA 12 1HB ABU 12 -5.753 -5.150 -2.576 94 HB2 ABA 12 2HB ABU 12 -6.250 -5.080 -0.892 95 HG1 ABA 12 1HG ABU 12 -3.462 -4.562 -1.891 96 HG3 ABA 12 3HG ABU 12 -3.991 -4.569 -0.208 97 HG2 ABA 12 2HG ABU 12 -4.031 -6.058 -1.154 98 H ARG 13 H ARG 13 -4.607 -1.046 -1.593 99 HA ARG 13 HA ARG 13 -3.568 -1.103 -4.320 100 HB2 ARG 13 2HB ARG 13 -4.704 0.948 -3.590 101 HB3 ARG 13 1HB ARG 13 -3.592 1.087 -2.235 102 HG2 ARG 13 2HG ARG 13 -1.726 1.308 -3.820 103 HG3 ARG 13 1HG ARG 13 -2.873 1.252 -5.152 104 HD2 ARG 13 2HD ARG 13 -3.989 3.248 -4.222 105 HD3 ARG 13 1HD ARG 13 -2.764 3.301 -2.953 106 HE ARG 13 HE ARG 13 -1.751 3.291 -5.642 107 HH11 ARG 13 1HH1 ARG 13 -2.540 5.224 -2.803 108 HH12 ARG 13 2HH1 ARG 13 -1.894 6.667 -3.418 109 HH21 ARG 13 1HH2 ARG 13 -0.752 5.237 -6.454 110 HH22 ARG 13 2HH2 ARG 13 -0.860 6.688 -5.558 111 H CYS 14 H CYS 14 -1.717 -2.181 -4.402 112 HA CYS 14 HA CYS 14 0.170 -1.896 -2.199 113 HB2 CYS 14 2HB CYS 14 0.187 -3.840 -4.506 114 HB3 CYS 14 1HB CYS 14 1.334 -3.811 -3.176 115 H VAL 15 H VAL 15 1.707 -0.572 -2.329 116 HA VAL 15 HA VAL 15 2.623 0.367 -4.954 117 HB VAL 15 HB VAL 15 3.008 1.700 -2.290 118 HG11 VAL 15 1HG1 VAL 15 3.371 2.736 -5.085 119 HG12 VAL 15 2HG1 VAL 15 4.639 2.374 -3.913 120 HG13 VAL 15 3HG1 VAL 15 3.519 3.710 -3.623 121 HG21 VAL 15 3HG2 VAL 15 0.614 1.658 -2.734 122 HG22 VAL 15 1HG2 VAL 15 0.880 2.331 -4.341 123 HG23 VAL 15 2HG2 VAL 15 1.222 3.299 -2.903 124 H ABA 16 H ABU 16 4.622 -0.122 -5.424 125 HA ABA 16 HA ABU 16 6.249 -1.532 -3.452 126 HB3 ABA 16 1HB ABU 16 7.663 -2.170 -5.395 127 HB2 ABA 16 2HB ABU 16 6.570 -1.279 -6.446 128 HG1 ABA 16 1HG ABU 16 6.093 -3.654 -6.517 129 HG3 ABA 16 3HG ABU 16 5.836 -3.671 -4.773 130 HG2 ABA 16 2HG ABU 16 4.739 -2.767 -5.815 131 H ARG 17 H ARG 17 6.979 0.096 -2.236 132 HA ARG 17 HA ARG 17 8.447 2.303 -3.455 133 HB2 ARG 17 2HB ARG 17 6.887 2.797 -1.631 134 HB3 ARG 17 1HB ARG 17 7.758 1.702 -0.573 135 HG2 ARG 17 2HG ARG 17 9.738 3.164 -0.729 136 HG3 ARG 17 1HG ARG 17 8.816 4.274 -1.743 137 HD2 ARG 17 2HD ARG 17 7.205 4.593 0.056 138 HD3 ARG 17 1HD ARG 17 8.102 3.465 1.067 139 HE ARG 17 HE ARG 17 9.941 5.318 0.415 140 HH11 ARG 17 1HH1 ARG 17 6.714 5.476 1.856 141 HH12 ARG 17 2HH1 ARG 17 7.019 6.905 2.736 142 HH21 ARG 17 1HH2 ARG 17 10.384 7.290 1.706 143 HH22 ARG 17 2HH2 ARG 17 9.136 7.935 2.658 144 H ARG 18 H ARG 18 10.309 1.490 -4.191 145 HA ARG 18 HA ARG 18 12.399 0.703 -4.279 146 HB2 ARG 18 2HB ARG 18 12.690 2.513 -2.503 147 HB3 ARG 18 1HB ARG 18 12.548 1.251 -1.289 148 HG2 ARG 18 2HG ARG 18 14.559 0.160 -2.197 149 HG3 ARG 18 1HG ARG 18 14.696 1.434 -3.404 150 HD2 ARG 18 2HD ARG 18 16.224 1.881 -1.589 151 HD3 ARG 18 1HD ARG 18 14.942 3.088 -1.575 152 HE ARG 18 HE ARG 18 14.409 0.848 0.120 153 HH11 ARG 18 1HH1 ARG 18 16.040 4.003 -0.006 154 HH12 ARG 18 2HH1 ARG 18 16.078 4.193 1.680 155 HH21 ARG 18 1HH2 ARG 18 14.469 1.155 2.438 156 HH22 ARG 18 2HH2 ARG 18 15.171 2.569 3.089 Start of MODEL 3 1 H1 GLY 1 H GLY 1 10.901 -1.477 -4.052 2 HA2 GLY 1 2HA GLY 1 11.000 -3.715 -3.706 3 HA3 GLY 1 1HA GLY 1 12.077 -3.389 -2.355 4 H VAL 2 H VAL 2 10.127 -1.474 -1.145 5 HA VAL 2 HA VAL 2 8.771 -3.464 0.423 6 HB VAL 2 HB VAL 2 8.643 -0.447 0.650 7 HG11 VAL 2 1HG1 VAL 2 7.884 -0.826 2.942 8 HG12 VAL 2 2HG1 VAL 2 7.938 -2.566 2.681 9 HG13 VAL 2 3HG1 VAL 2 6.784 -1.584 1.787 10 HG21 VAL 2 3HG2 VAL 2 10.420 -2.405 2.106 11 HG22 VAL 2 1HG2 VAL 2 10.309 -0.677 2.442 12 HG23 VAL 2 2HG2 VAL 2 10.934 -1.237 0.889 13 H ABA 3 H ABU 3 6.979 -4.310 -0.313 14 HA ABA 3 HA ABU 3 5.209 -2.876 -2.076 15 HB3 ABA 3 1HB ABU 3 4.942 -5.638 -0.855 16 HB2 ABA 3 2HB ABU 3 5.705 -5.294 -2.403 17 HG1 ABA 3 1HG ABU 3 3.460 -6.144 -2.716 18 HG3 ABA 3 3HG ABU 3 2.810 -4.832 -1.732 19 HG2 ABA 3 2HG ABU 3 3.584 -4.476 -3.277 20 H ARG 4 H ARG 4 4.243 -1.292 -0.992 21 HA ARG 4 HA ARG 4 3.006 -1.755 1.597 22 HB2 ARG 4 2HB ARG 4 3.350 0.670 -0.140 23 HB3 ARG 4 1HB ARG 4 2.349 0.684 1.305 24 HG2 ARG 4 2HG ARG 4 5.259 -0.032 1.273 25 HG3 ARG 4 1HG ARG 4 4.626 1.579 1.625 26 HD2 ARG 4 2HD ARG 4 3.331 0.647 3.492 27 HD3 ARG 4 1HD ARG 4 4.002 -0.951 3.162 28 HE ARG 4 HE ARG 4 6.117 0.797 3.491 29 HH11 ARG 4 1HH1 ARG 4 3.432 -0.317 5.501 30 HH12 ARG 4 2HH1 ARG 4 4.346 -0.305 6.944 31 HH21 ARG 4 1HH2 ARG 4 7.327 0.863 5.433 32 HH22 ARG 4 2HH2 ARG 4 6.635 0.389 6.901 33 H CYS 5 H CYS 5 1.156 -2.837 1.454 34 HA CYS 5 HA CYS 5 -0.704 -2.123 -0.663 35 HB2 CYS 5 2HB CYS 5 -0.826 -4.354 1.345 36 HB3 CYS 5 1HB CYS 5 -1.960 -4.016 0.032 37 H VAL 6 H VAL 6 -1.854 -0.587 -0.299 38 HA VAL 6 HA VAL 6 -2.706 0.020 2.435 39 HB VAL 6 HB VAL 6 -2.992 1.767 -0.002 40 HG11 VAL 6 1HG1 VAL 6 -3.271 3.606 1.608 41 HG12 VAL 6 2HG1 VAL 6 -3.165 2.445 2.931 42 HG13 VAL 6 3HG1 VAL 6 -4.507 2.361 1.788 43 HG21 VAL 6 3HG2 VAL 6 -1.030 3.043 0.798 44 HG22 VAL 6 1HG2 VAL 6 -0.612 1.385 0.359 45 HG23 VAL 6 2HG2 VAL 6 -0.779 1.831 2.057 46 H ABA 7 H ABU 7 -4.705 -0.259 2.927 47 HA ABA 7 HA ABU 7 -6.555 -1.272 0.916 48 HB3 ABA 7 1HB ABU 7 -7.945 -1.938 2.873 49 HB2 ABA 7 2HB ABU 7 -6.724 -1.250 3.934 50 HG1 ABA 7 1HG ABU 7 -6.428 -3.625 3.843 51 HG3 ABA 7 3HG ABU 7 -6.401 -3.585 2.084 52 HG2 ABA 7 2HG ABU 7 -5.081 -2.857 2.993 53 H ARG 8 H ARG 8 -7.101 0.602 -0.090 54 HA ARG 8 HA ARG 8 -8.223 2.793 1.437 55 HB2 ARG 8 2HB ARG 8 -7.795 2.362 -1.526 56 HB3 ARG 8 1HB ARG 8 -8.529 3.805 -0.849 57 HG2 ARG 8 2HG ARG 8 -6.460 4.306 0.353 58 HG3 ARG 8 1HG ARG 8 -5.735 2.828 -0.279 59 HD2 ARG 8 2HD ARG 8 -5.839 3.637 -2.505 60 HD3 ARG 8 1HD ARG 8 -6.800 5.037 -2.022 61 HE ARG 8 HE ARG 8 -4.652 5.466 -0.600 62 HH11 ARG 8 1HH1 ARG 8 -4.824 4.342 -3.951 63 HH12 ARG 8 2HH1 ARG 8 -3.426 5.148 -4.472 64 HH21 ARG 8 1HH2 ARG 8 -2.679 6.631 -1.314 65 HH22 ARG 8 2HH2 ARG 8 -2.189 6.492 -2.928 66 H ARG 9 H ARG 9 -10.067 2.142 2.278 67 HA ARG 9 HA ARG 9 -12.129 1.336 2.572 68 HB2 ARG 9 2HB ARG 9 -12.626 3.404 1.250 69 HB3 ARG 9 1HB ARG 9 -12.614 2.438 -0.216 70 HG2 ARG 9 2HG ARG 9 -14.521 1.142 0.615 71 HG3 ARG 9 1HG ARG 9 -14.529 2.105 2.089 72 HD2 ARG 9 2HD ARG 9 -14.980 3.158 -0.703 73 HD3 ARG 9 1HD ARG 9 -16.234 2.847 0.498 74 HE ARG 9 HE ARG 9 -14.147 4.658 1.330 75 HH11 ARG 9 1HH1 ARG 9 -17.373 4.385 -0.110 76 HH12 ARG 9 2HH1 ARG 9 -17.777 6.006 0.214 77 HH21 ARG 9 1HH2 ARG 9 -14.711 6.835 1.750 78 HH22 ARG 9 2HH2 ARG 9 -16.246 7.433 1.274 79 H GLY 10 H GLY 10 -10.764 -0.688 2.295 80 HA2 GLY 10 2HA GLY 10 -10.929 -2.895 1.927 81 HA3 GLY 10 1HA GLY 10 -12.367 -2.551 0.984 82 H VAL 11 H VAL 11 -10.374 -0.662 -0.607 83 HA VAL 11 HA VAL 11 -9.700 -2.751 -2.498 84 HB VAL 11 HB VAL 11 -9.570 0.255 -2.826 85 HG11 VAL 11 1HG1 VAL 11 -8.041 -0.910 -4.332 86 HG12 VAL 11 2HG1 VAL 11 -9.393 -0.237 -5.237 87 HG13 VAL 11 3HG1 VAL 11 -9.347 -1.962 -4.869 88 HG21 VAL 11 3HG2 VAL 11 -11.628 0.028 -4.121 89 HG22 VAL 11 1HG2 VAL 11 -11.856 -0.559 -2.476 90 HG23 VAL 11 2HG2 VAL 11 -11.654 -1.706 -3.802 91 H ABA 12 H ABU 12 -7.728 -3.604 -2.462 92 HA ABA 12 HA ABU 12 -5.654 -2.395 -0.991 93 HB3 ABA 12 1HB ABU 12 -4.467 -4.440 -1.749 94 HB2 ABA 12 2HB ABU 12 -5.921 -4.897 -2.614 95 HG1 ABA 12 1HG ABU 12 -5.803 -6.046 -0.490 96 HG3 ABA 12 3HG ABU 12 -5.686 -4.506 0.356 97 HG2 ABA 12 2HG ABU 12 -7.167 -4.928 -0.513 98 H ARG 13 H ARG 13 -4.336 -1.010 -1.782 99 HA ARG 13 HA ARG 13 -3.540 -1.155 -4.605 100 HB2 ARG 13 2HB ARG 13 -4.732 0.926 -4.093 101 HB3 ARG 13 1HB ARG 13 -3.687 1.212 -2.721 102 HG2 ARG 13 2HG ARG 13 -3.126 2.681 -4.578 103 HG3 ARG 13 1HG ARG 13 -1.795 1.591 -4.221 104 HD2 ARG 13 2HD ARG 13 -3.791 0.925 -6.361 105 HD3 ARG 13 1HD ARG 13 -2.475 2.050 -6.686 106 HE ARG 13 HE ARG 13 -1.129 -0.030 -5.736 107 HH11 ARG 13 1HH1 ARG 13 -3.792 -0.047 -8.077 108 HH12 ARG 13 2HH1 ARG 13 -3.148 -1.302 -9.007 109 HH21 ARG 13 1HH2 ARG 13 -0.221 -1.763 -7.044 110 HH22 ARG 13 2HH2 ARG 13 -1.076 -2.312 -8.402 111 H CYS 14 H CYS 14 -1.734 -2.309 -4.514 112 HA CYS 14 HA CYS 14 0.182 -1.835 -2.369 113 HB2 CYS 14 2HB CYS 14 0.251 -3.890 -4.583 114 HB3 CYS 14 1HB CYS 14 1.316 -3.815 -3.188 115 H VAL 15 H VAL 15 1.658 -0.502 -2.535 116 HA VAL 15 HA VAL 15 2.654 0.290 -5.180 117 HB VAL 15 HB VAL 15 2.981 1.758 -2.599 118 HG11 VAL 15 1HG1 VAL 15 4.578 2.378 -4.291 119 HG12 VAL 15 2HG1 VAL 15 3.476 3.715 -3.979 120 HG13 VAL 15 3HG1 VAL 15 3.274 2.734 -5.426 121 HG21 VAL 15 3HG2 VAL 15 0.808 2.235 -4.646 122 HG22 VAL 15 1HG2 VAL 15 1.151 3.301 -3.283 123 HG23 VAL 15 2HG2 VAL 15 0.585 1.655 -2.995 124 H ABA 16 H ABU 16 4.561 -0.477 -5.526 125 HA ABA 16 HA ABU 16 6.199 -1.564 -3.377 126 HB3 ABA 16 1HB ABU 16 7.621 -2.457 -5.207 127 HB2 ABA 16 2HB ABU 16 6.545 -1.701 -6.376 128 HG1 ABA 16 1HG ABU 16 5.780 -3.848 -4.415 129 HG3 ABA 16 3HG ABU 16 4.698 -3.085 -5.579 130 HG2 ABA 16 2HG ABU 16 6.054 -4.063 -6.142 131 H ARG 17 H ARG 17 7.103 0.054 -2.345 132 HA ARG 17 HA ARG 17 8.574 2.097 -3.850 133 HB2 ARG 17 2HB ARG 17 7.793 2.013 -0.941 134 HB3 ARG 17 1HB ARG 17 8.640 3.333 -1.723 135 HG2 ARG 17 2HG ARG 17 6.668 3.706 -3.154 136 HG3 ARG 17 1HG ARG 17 5.828 2.423 -2.270 137 HD2 ARG 17 2HD ARG 17 5.216 4.599 -1.376 138 HD3 ARG 17 1HD ARG 17 6.136 3.676 -0.188 139 HE ARG 17 HE ARG 17 7.709 5.431 -1.838 140 HH11 ARG 17 1HH1 ARG 17 6.016 5.099 1.247 141 HH12 ARG 17 2HH1 ARG 17 6.772 6.413 1.984 142 HH21 ARG 17 1HH2 ARG 17 8.767 7.221 -0.851 143 HH22 ARG 17 2HH2 ARG 17 8.419 7.649 0.765 144 H ARG 18 H ARG 18 10.548 1.394 -4.234 145 HA ARG 18 HA ARG 18 12.560 0.413 -4.070 146 HB2 ARG 18 2HB ARG 18 12.914 2.449 -2.724 147 HB3 ARG 18 1HB ARG 18 12.385 1.600 -1.282 148 HG2 ARG 18 2HG ARG 18 14.335 0.131 -1.431 149 HG3 ARG 18 1HG ARG 18 14.858 0.973 -2.889 150 HD2 ARG 18 2HD ARG 18 15.197 2.999 -1.698 151 HD3 ARG 18 1HD ARG 18 14.382 2.359 -0.276 152 HE ARG 18 HE ARG 18 16.272 0.852 0.012 153 HH11 ARG 18 1HH1 ARG 18 16.853 3.573 -2.182 154 HH12 ARG 18 2HH1 ARG 18 18.477 3.765 -1.720 155 HH21 ARG 18 1HH2 ARG 18 18.479 1.138 0.649 156 HH22 ARG 18 2HH2 ARG 18 19.421 2.363 -0.077 Start of MODEL 4 1 H1 GLY 1 H GLY 1 11.043 -0.725 -3.994 2 HA2 GLY 1 2HA GLY 1 11.358 -2.983 -4.154 3 HA3 GLY 1 1HA GLY 1 12.605 -2.814 -2.928 4 H VAL 2 H VAL 2 10.227 -1.319 -1.447 5 HA VAL 2 HA VAL 2 9.315 -3.734 -0.095 6 HB VAL 2 HB VAL 2 9.042 -0.831 0.742 7 HG11 VAL 2 1HG1 VAL 2 7.343 -2.273 1.756 8 HG12 VAL 2 2HG1 VAL 2 8.506 -1.716 2.961 9 HG13 VAL 2 3HG1 VAL 2 8.609 -3.357 2.333 10 HG21 VAL 2 3HG2 VAL 2 11.032 -2.900 1.670 11 HG22 VAL 2 1HG2 VAL 2 10.865 -1.269 2.315 12 HG23 VAL 2 2HG2 VAL 2 11.387 -1.506 0.649 13 H ABA 3 H ABU 3 7.382 -4.478 -0.610 14 HA ABA 3 HA ABU 3 5.568 -2.840 -2.157 15 HB3 ABA 3 1HB ABU 3 5.269 -5.716 -1.240 16 HB2 ABA 3 2HB ABU 3 5.967 -5.219 -2.780 17 HG1 ABA 3 1HG ABU 3 3.668 -5.958 -3.057 18 HG3 ABA 3 3HG ABU 3 3.124 -4.743 -1.900 19 HG2 ABA 3 2HG ABU 3 3.825 -4.245 -3.438 20 H ARG 4 H ARG 4 4.140 -1.636 -1.243 21 HA ARG 4 HA ARG 4 3.239 -2.233 1.484 22 HB2 ARG 4 2HB ARG 4 3.544 0.376 0.003 23 HB3 ARG 4 1HB ARG 4 2.694 0.229 1.531 24 HG2 ARG 4 2HG ARG 4 5.579 -0.536 1.142 25 HG3 ARG 4 1HG ARG 4 5.038 1.046 1.724 26 HD2 ARG 4 2HD ARG 4 4.447 -1.612 3.047 27 HD3 ARG 4 1HD ARG 4 5.667 -0.453 3.575 28 HE ARG 4 HE ARG 4 3.842 1.133 3.930 29 HH11 ARG 4 1HH1 ARG 4 3.093 -2.349 4.052 30 HH12 ARG 4 2HH1 ARG 4 1.649 -2.122 4.930 31 HH21 ARG 4 1HH2 ARG 4 1.871 1.394 5.171 32 HH22 ARG 4 2HH2 ARG 4 0.949 0.024 5.584 33 H CYS 5 H CYS 5 1.268 -3.033 1.531 34 HA CYS 5 HA CYS 5 -0.657 -2.237 -0.516 35 HB2 CYS 5 2HB CYS 5 -0.771 -4.511 1.473 36 HB3 CYS 5 1HB CYS 5 -1.924 -4.190 0.184 37 H VAL 6 H VAL 6 -2.102 -0.805 0.014 38 HA VAL 6 HA VAL 6 -2.792 -0.434 2.857 39 HB VAL 6 HB VAL 6 -2.878 1.676 0.687 40 HG11 VAL 6 1HG1 VAL 6 -3.179 3.274 2.493 41 HG12 VAL 6 2HG1 VAL 6 -3.125 1.963 3.672 42 HG13 VAL 6 3HG1 VAL 6 -4.454 2.049 2.514 43 HG21 VAL 6 3HG2 VAL 6 -0.902 2.704 1.767 44 HG22 VAL 6 1HG2 VAL 6 -0.554 1.108 1.099 45 HG23 VAL 6 2HG2 VAL 6 -0.790 1.300 2.833 46 H ABA 7 H ABU 7 -4.936 -0.433 3.296 47 HA ABA 7 HA ABU 7 -6.688 -1.172 1.076 48 HB3 ABA 7 1HB ABU 7 -7.202 -1.424 4.046 49 HB2 ABA 7 2HB ABU 7 -6.545 -2.713 3.046 50 HG1 ABA 7 1HG ABU 7 -8.596 -2.734 1.722 51 HG3 ABA 7 3HG ABU 7 -8.920 -3.027 3.433 52 HG2 ABA 7 2HG ABU 7 -9.257 -1.446 2.722 53 H ARG 8 H ARG 8 -7.320 0.623 0.186 54 HA ARG 8 HA ARG 8 -8.364 2.773 1.874 55 HB2 ARG 8 2HB ARG 8 -7.457 2.781 -1.007 56 HB3 ARG 8 1HB ARG 8 -8.131 4.176 -0.175 57 HG2 ARG 8 2HG ARG 8 -6.274 4.193 1.383 58 HG3 ARG 8 1HG ARG 8 -5.631 2.718 0.665 59 HD2 ARG 8 2HD ARG 8 -4.416 4.666 -0.124 60 HD3 ARG 8 1HD ARG 8 -5.280 3.883 -1.439 61 HE ARG 8 HE ARG 8 -6.487 6.180 -0.090 62 HH11 ARG 8 1HH1 ARG 8 -5.206 4.718 -3.034 63 HH12 ARG 8 2HH1 ARG 8 -5.479 6.060 -4.027 64 HH21 ARG 8 1HH2 ARG 8 -6.904 8.074 -1.470 65 HH22 ARG 8 2HH2 ARG 8 -6.478 8.013 -3.110 66 H ARG 9 H ARG 9 -10.359 2.233 2.284 67 HA ARG 9 HA ARG 9 -12.494 1.669 2.126 68 HB2 ARG 9 2HB ARG 9 -12.555 3.915 1.059 69 HB3 ARG 9 1HB ARG 9 -12.343 3.158 -0.509 70 HG2 ARG 9 2HG ARG 9 -14.475 1.984 -0.221 71 HG3 ARG 9 1HG ARG 9 -14.700 2.791 1.333 72 HD2 ARG 9 2HD ARG 9 -14.350 4.218 -1.284 73 HD3 ARG 9 1HD ARG 9 -15.916 3.813 -0.586 74 HE ARG 9 HE ARG 9 -14.890 5.159 1.399 75 HH11 ARG 9 1HH1 ARG 9 -14.597 5.921 -2.055 76 HH12 ARG 9 2HH1 ARG 9 -14.685 7.599 -1.855 77 HH21 ARG 9 1HH2 ARG 9 -15.064 7.520 1.682 78 HH22 ARG 9 2HH2 ARG 9 -14.944 8.524 0.310 79 H GLY 10 H GLY 10 -11.303 -0.460 1.783 80 HA2 GLY 10 2HA GLY 10 -11.794 -2.573 1.099 81 HA3 GLY 10 1HA GLY 10 -12.835 -1.850 -0.119 82 H VAL 11 H VAL 11 -10.479 -0.151 -1.084 83 HA VAL 11 HA VAL 11 -9.503 -2.177 -2.907 84 HB VAL 11 HB VAL 11 -8.947 0.813 -2.867 85 HG11 VAL 11 1HG1 VAL 11 -8.191 0.513 -5.179 86 HG12 VAL 11 2HG1 VAL 11 -8.455 -1.224 -5.049 87 HG13 VAL 11 3HG1 VAL 11 -7.216 -0.443 -4.060 88 HG21 VAL 11 3HG2 VAL 11 -11.301 0.382 -3.234 89 HG22 VAL 11 1HG2 VAL 11 -10.917 -0.779 -4.505 90 HG23 VAL 11 2HG2 VAL 11 -10.550 0.928 -4.732 91 H ABA 12 H ABU 12 -7.975 -3.381 -2.040 92 HA ABA 12 HA ABU 12 -5.900 -2.216 -0.402 93 HB3 ABA 12 1HB ABU 12 -6.216 -5.063 -1.407 94 HB2 ABA 12 2HB ABU 12 -6.812 -4.472 0.139 95 HG1 ABA 12 1HG ABU 12 -4.523 -4.011 0.853 96 HG3 ABA 12 3HG ABU 12 -4.736 -5.709 0.412 97 HG2 ABA 12 2HG ABU 12 -3.925 -4.601 -0.696 98 H ARG 13 H ARG 13 -4.747 -0.921 -1.586 99 HA ARG 13 HA ARG 13 -3.829 -1.745 -4.210 100 HB2 ARG 13 2HB ARG 13 -4.689 0.532 -4.006 101 HB3 ARG 13 1HB ARG 13 -3.504 0.888 -2.756 102 HG2 ARG 13 2HG ARG 13 -2.839 1.853 -4.900 103 HG3 ARG 13 1HG ARG 13 -1.691 0.612 -4.385 104 HD2 ARG 13 2HD ARG 13 -2.843 -1.011 -5.845 105 HD3 ARG 13 1HD ARG 13 -3.911 0.285 -6.389 106 HE ARG 13 HE ARG 13 -1.358 1.156 -6.887 107 HH11 ARG 13 1HH1 ARG 13 -3.332 -1.603 -7.862 108 HH12 ARG 13 2HH1 ARG 13 -2.596 -1.799 -9.373 109 HH21 ARG 13 1HH2 ARG 13 -0.335 0.903 -8.999 110 HH22 ARG 13 2HH2 ARG 13 -0.871 -0.338 -10.043 111 H CYS 14 H CYS 14 -2.018 -2.810 -4.370 112 HA CYS 14 HA CYS 14 0.061 -2.438 -2.364 113 HB2 CYS 14 2HB CYS 14 -0.247 -4.512 -4.540 114 HB3 CYS 14 1HB CYS 14 1.057 -4.463 -3.354 115 H VAL 15 H VAL 15 1.667 -1.173 -2.794 116 HA VAL 15 HA VAL 15 2.488 -0.794 -5.568 117 HB VAL 15 HB VAL 15 1.145 1.142 -4.939 118 HG11 VAL 15 1HG1 VAL 15 1.880 2.708 -3.175 119 HG12 VAL 15 2HG1 VAL 15 3.124 1.556 -2.701 120 HG13 VAL 15 3HG1 VAL 15 1.422 1.131 -2.533 121 HG21 VAL 15 3HG2 VAL 15 3.012 1.499 -6.464 122 HG22 VAL 15 1HG2 VAL 15 4.073 1.826 -5.097 123 HG23 VAL 15 2HG2 VAL 15 2.744 2.927 -5.466 124 H ABA 16 H ABU 16 4.644 -0.427 -5.838 125 HA ABA 16 HA ABU 16 6.262 -1.470 -3.661 126 HB3 ABA 16 1HB ABU 16 7.967 -1.834 -5.386 127 HB2 ABA 16 2HB ABU 16 6.917 -1.064 -6.576 128 HG1 ABA 16 1HG ABU 16 5.259 -2.820 -6.249 129 HG3 ABA 16 3HG ABU 16 6.809 -3.483 -6.761 130 HG2 ABA 16 2HG ABU 16 6.314 -3.600 -5.073 131 H ARG 17 H ARG 17 7.462 -0.229 -2.480 132 HA ARG 17 HA ARG 17 8.433 2.321 -3.545 133 HB2 ARG 17 2HB ARG 17 7.317 1.729 -0.807 134 HB3 ARG 17 1HB ARG 17 8.239 3.174 -1.188 135 HG2 ARG 17 2HG ARG 17 6.536 3.817 -2.814 136 HG3 ARG 17 1HG ARG 17 5.613 2.368 -2.402 137 HD2 ARG 17 2HD ARG 17 5.299 3.122 -0.161 138 HD3 ARG 17 1HD ARG 17 6.406 4.471 -0.406 139 HE ARG 17 HE ARG 17 4.317 4.558 -2.274 140 HH11 ARG 17 1HH1 ARG 17 4.895 5.116 1.164 141 HH12 ARG 17 2HH1 ARG 17 3.721 6.342 1.323 142 HH21 ARG 17 1HH2 ARG 17 2.730 6.229 -2.103 143 HH22 ARG 17 2HH2 ARG 17 2.431 6.992 -0.617 144 H ARG 18 H ARG 18 10.475 1.850 -3.890 145 HA ARG 18 HA ARG 18 12.645 1.379 -3.573 146 HB2 ARG 18 2HB ARG 18 12.298 3.042 -1.679 147 HB3 ARG 18 1HB ARG 18 12.040 1.686 -0.608 148 HG2 ARG 18 2HG ARG 18 14.284 2.620 -0.371 149 HG3 ARG 18 1HG ARG 18 14.338 0.955 -0.942 150 HD2 ARG 18 2HD ARG 18 15.944 2.445 -2.099 151 HD3 ARG 18 1HD ARG 18 14.799 1.683 -3.192 152 HE ARG 18 HE ARG 18 13.600 3.802 -3.227 153 HH11 ARG 18 1HH1 ARG 18 16.956 3.960 -2.074 154 HH12 ARG 18 2HH1 ARG 18 17.235 5.516 -2.683 155 HH21 ARG 18 1HH2 ARG 18 14.001 5.938 -4.072 156 HH22 ARG 18 2HH2 ARG 18 15.520 6.676 -3.830 Start of MODEL 5 1 H1 GLY 1 H GLY 1 10.799 -0.900 -4.351 2 HA2 GLY 1 2HA GLY 1 10.970 -3.184 -4.336 3 HA3 GLY 1 1HA GLY 1 12.295 -2.979 -3.200 4 H VAL 2 H VAL 2 10.122 -1.259 -1.689 5 HA VAL 2 HA VAL 2 9.227 -3.488 -0.074 6 HB VAL 2 HB VAL 2 8.982 -0.501 0.420 7 HG11 VAL 2 1HG1 VAL 2 8.509 -1.127 2.751 8 HG12 VAL 2 2HG1 VAL 2 8.565 -2.831 2.296 9 HG13 VAL 2 3HG1 VAL 2 7.307 -1.787 1.640 10 HG21 VAL 2 3HG2 VAL 2 10.990 -2.464 1.533 11 HG22 VAL 2 1HG2 VAL 2 10.834 -0.774 2.009 12 HG23 VAL 2 2HG2 VAL 2 11.327 -1.187 0.365 13 H ABA 3 H ABU 3 7.412 -4.365 -0.717 14 HA ABA 3 HA ABU 3 5.379 -2.758 -2.015 15 HB3 ABA 3 1HB ABU 3 5.438 -5.724 -1.395 16 HB2 ABA 3 2HB ABU 3 5.942 -5.013 -2.922 17 HG1 ABA 3 1HG ABU 3 3.157 -4.917 -1.774 18 HG3 ABA 3 3HG ABU 3 3.665 -4.217 -3.312 19 HG2 ABA 3 2HG ABU 3 3.707 -5.964 -3.081 20 H ARG 4 H ARG 4 4.137 -1.665 -0.712 21 HA ARG 4 HA ARG 4 3.290 -2.962 1.777 22 HB2 ARG 4 2HB ARG 4 4.671 -0.913 2.127 23 HB3 ARG 4 1HB ARG 4 3.466 0.016 1.247 24 HG2 ARG 4 2HG ARG 4 3.223 0.286 3.666 25 HG3 ARG 4 1HG ARG 4 1.803 -0.492 2.962 26 HD2 ARG 4 2HD ARG 4 2.476 -1.565 5.063 27 HD3 ARG 4 1HD ARG 4 2.613 -2.679 3.709 28 HE ARG 4 HE ARG 4 4.919 -1.231 4.840 29 HH11 ARG 4 1HH1 ARG 4 3.525 -4.285 3.636 30 HH12 ARG 4 2HH1 ARG 4 4.946 -5.175 3.871 31 HH21 ARG 4 1HH2 ARG 4 6.853 -2.489 5.174 32 HH22 ARG 4 2HH2 ARG 4 6.863 -4.147 4.782 33 H CYS 5 H CYS 5 1.225 -3.470 1.858 34 HA CYS 5 HA CYS 5 -0.544 -2.312 -0.144 35 HB2 CYS 5 2HB CYS 5 -0.982 -4.756 1.564 36 HB3 CYS 5 1HB CYS 5 -1.960 -4.194 0.207 37 H VAL 6 H VAL 6 -1.697 -0.778 0.377 38 HA VAL 6 HA VAL 6 -2.695 -0.446 3.140 39 HB VAL 6 HB VAL 6 -2.516 1.633 0.963 40 HG11 VAL 6 1HG1 VAL 6 -2.817 3.273 2.763 41 HG12 VAL 6 2HG1 VAL 6 -2.979 1.946 3.913 42 HG13 VAL 6 3HG1 VAL 6 -4.174 2.152 2.633 43 HG21 VAL 6 3HG2 VAL 6 -0.242 0.961 1.510 44 HG22 VAL 6 1HG2 VAL 6 -0.566 1.195 3.228 45 HG23 VAL 6 2HG2 VAL 6 -0.554 2.579 2.133 46 H ABA 7 H ABU 7 -4.869 -0.507 3.327 47 HA ABA 7 HA ABU 7 -6.363 -0.958 0.856 48 HB3 ABA 7 1HB ABU 7 -8.102 -1.954 2.312 49 HB2 ABA 7 2HB ABU 7 -7.062 -1.679 3.702 50 HG1 ABA 7 1HG ABU 7 -5.380 -3.164 2.749 51 HG3 ABA 7 3HG ABU 7 -6.927 -3.981 2.968 52 HG2 ABA 7 2HG ABU 7 -6.429 -3.455 1.361 53 H ARG 8 H ARG 8 -7.560 0.578 0.111 54 HA ARG 8 HA ARG 8 -8.740 2.475 1.992 55 HB2 ARG 8 2HB ARG 8 -7.379 3.079 -0.634 56 HB3 ARG 8 1HB ARG 8 -8.454 4.221 0.159 57 HG2 ARG 8 2HG ARG 8 -5.991 3.068 1.450 58 HG3 ARG 8 1HG ARG 8 -6.019 4.602 0.581 59 HD2 ARG 8 2HD ARG 8 -7.594 5.532 2.131 60 HD3 ARG 8 1HD ARG 8 -7.832 3.980 2.916 61 HE ARG 8 HE ARG 8 -5.630 4.133 3.788 62 HH11 ARG 8 1HH1 ARG 8 -6.766 7.171 2.342 63 HH12 ARG 8 2HH1 ARG 8 -5.887 8.168 3.396 64 HH21 ARG 8 1HH2 ARG 8 -4.425 5.522 5.236 65 HH22 ARG 8 2HH2 ARG 8 -4.510 7.211 5.063 66 H ARG 9 H ARG 9 -10.736 2.136 2.024 67 HA ARG 9 HA ARG 9 -12.851 1.685 1.549 68 HB2 ARG 9 2HB ARG 9 -12.519 3.802 0.146 69 HB3 ARG 9 1HB ARG 9 -12.324 2.751 -1.247 70 HG2 ARG 9 2HG ARG 9 -14.590 3.616 -1.162 71 HG3 ARG 9 1HG ARG 9 -14.601 1.871 -0.882 72 HD2 ARG 9 2HD ARG 9 -14.696 2.279 1.542 73 HD3 ARG 9 1HD ARG 9 -14.738 4.014 1.232 74 HE ARG 9 HE ARG 9 -16.821 2.835 -0.154 75 HH11 ARG 9 1HH1 ARG 9 -15.768 3.321 3.177 76 HH12 ARG 9 2HH1 ARG 9 -17.317 3.252 3.863 77 HH21 ARG 9 1HH2 ARG 9 -19.033 2.789 0.796 78 HH22 ARG 9 2HH2 ARG 9 -19.206 2.980 2.478 79 H GLY 10 H GLY 10 -11.253 -0.428 1.426 80 HA2 GLY 10 2HA GLY 10 -11.554 -2.632 0.937 81 HA3 GLY 10 1HA GLY 10 -12.729 -2.123 -0.266 82 H VAL 11 H VAL 11 -10.409 -0.233 -1.231 83 HA VAL 11 HA VAL 11 -9.444 -2.121 -3.192 84 HB VAL 11 HB VAL 11 -8.783 0.824 -2.925 85 HG11 VAL 11 1HG1 VAL 11 -8.239 0.687 -5.314 86 HG12 VAL 11 2HG1 VAL 11 -8.590 -1.039 -5.289 87 HG13 VAL 11 3HG1 VAL 11 -7.242 -0.401 -4.347 88 HG21 VAL 11 3HG2 VAL 11 -10.975 -0.446 -4.561 89 HG22 VAL 11 1HG2 VAL 11 -10.518 1.258 -4.584 90 HG23 VAL 11 2HG2 VAL 11 -11.201 0.553 -3.121 91 H ABA 12 H ABU 12 -7.763 -3.294 -2.660 92 HA ABA 12 HA ABU 12 -5.891 -2.426 -0.670 93 HB3 ABA 12 1HB ABU 12 -5.853 -4.864 -2.469 94 HB2 ABA 12 2HB ABU 12 -6.564 -4.803 -0.859 95 HG1 ABA 12 1HG ABU 12 -3.649 -4.409 -1.494 96 HG3 ABA 12 3HG ABU 12 -4.373 -4.382 0.114 97 HG2 ABA 12 2HG ABU 12 -4.376 -5.870 -0.829 98 H ARG 13 H ARG 13 -4.449 -0.988 -1.215 99 HA ARG 13 HA ARG 13 -3.411 -0.848 -3.939 100 HB2 ARG 13 2HB ARG 13 -3.119 0.990 -1.555 101 HB3 ARG 13 1HB ARG 13 -2.390 1.265 -3.126 102 HG2 ARG 13 2HG ARG 13 -5.349 1.100 -2.600 103 HG3 ARG 13 1HG ARG 13 -4.422 2.595 -2.740 104 HD2 ARG 13 2HD ARG 13 -3.737 1.919 -4.995 105 HD3 ARG 13 1HD ARG 13 -4.757 0.484 -4.865 106 HE ARG 13 HE ARG 13 -6.431 2.518 -4.329 107 HH11 ARG 13 1HH1 ARG 13 -4.198 1.887 -7.005 108 HH12 ARG 13 2HH1 ARG 13 -5.181 2.639 -8.167 109 HH21 ARG 13 1HH2 ARG 13 -7.740 3.608 -5.915 110 HH22 ARG 13 2HH2 ARG 13 -7.210 3.656 -7.534 111 H CYS 14 H CYS 14 -1.791 -2.370 -4.102 112 HA CYS 14 HA CYS 14 0.180 -2.357 -1.968 113 HB2 CYS 14 2HB CYS 14 -0.041 -4.141 -4.384 114 HB3 CYS 14 1HB CYS 14 1.189 -4.223 -3.118 115 H VAL 15 H VAL 15 1.524 -0.955 -2.068 116 HA VAL 15 HA VAL 15 2.299 0.183 -4.654 117 HB VAL 15 HB VAL 15 2.856 1.289 -1.929 118 HG11 VAL 15 1HG1 VAL 15 2.935 2.588 -4.639 119 HG12 VAL 15 2HG1 VAL 15 4.317 2.153 -3.637 120 HG13 VAL 15 3HG1 VAL 15 3.205 3.421 -3.108 121 HG21 VAL 15 3HG2 VAL 15 0.438 1.188 -2.179 122 HG22 VAL 15 1HG2 VAL 15 0.545 1.994 -3.743 123 HG23 VAL 15 2HG2 VAL 15 0.975 2.866 -2.271 124 H ABA 16 H ABU 16 4.151 -0.314 -5.353 125 HA ABA 16 HA ABU 16 6.130 -1.609 -3.643 126 HB3 ABA 16 1HB ABU 16 7.272 -2.170 -5.790 127 HB2 ABA 16 2HB ABU 16 5.989 -1.335 -6.659 128 HG1 ABA 16 1HG ABU 16 5.645 -3.791 -4.961 129 HG3 ABA 16 3HG ABU 16 4.358 -2.934 -5.806 130 HG2 ABA 16 2HG ABU 16 5.640 -3.725 -6.724 131 H ARG 17 H ARG 17 7.202 -0.074 -2.607 132 HA ARG 17 HA ARG 17 8.291 2.139 -4.204 133 HB2 ARG 17 2HB ARG 17 6.496 2.722 -2.523 134 HB3 ARG 17 1HB ARG 17 7.594 2.173 -1.269 135 HG2 ARG 17 2HG ARG 17 9.215 3.894 -2.006 136 HG3 ARG 17 1HG ARG 17 8.005 4.491 -3.147 137 HD2 ARG 17 2HD ARG 17 7.864 5.838 -1.177 138 HD3 ARG 17 1HD ARG 17 6.449 4.786 -1.209 139 HE ARG 17 HE ARG 17 8.843 4.148 0.358 140 HH11 ARG 17 1HH1 ARG 17 5.292 4.425 0.218 141 HH12 ARG 17 2HH1 ARG 17 5.091 4.021 1.861 142 HH21 ARG 17 1HH2 ARG 17 8.510 3.613 2.600 143 HH22 ARG 17 2HH2 ARG 17 6.938 3.534 3.217 144 H ARG 18 H ARG 18 10.390 1.712 -4.472 145 HA ARG 18 HA ARG 18 12.545 1.144 -4.109 146 HB2 ARG 18 2HB ARG 18 12.405 2.930 -2.406 147 HB3 ARG 18 1HB ARG 18 11.803 1.784 -1.229 148 HG2 ARG 18 2HG ARG 18 13.979 0.616 -1.314 149 HG3 ARG 18 1HG ARG 18 14.566 1.859 -2.420 150 HD2 ARG 18 2HD ARG 18 14.345 3.539 -0.801 151 HD3 ARG 18 1HD ARG 18 13.418 2.493 0.278 152 HE ARG 18 HE ARG 18 15.835 1.275 -0.151 153 HH11 ARG 18 1HH1 ARG 18 14.777 4.355 1.227 154 HH12 ARG 18 2HH1 ARG 18 15.976 4.396 2.434 155 HH21 ARG 18 1HH2 ARG 18 17.462 1.296 1.507 156 HH22 ARG 18 2HH2 ARG 18 17.551 2.611 2.588 Start of MODEL 6 1 H1 GLY 1 H GLY 1 10.731 -1.498 -4.666 2 HA2 GLY 1 2HA GLY 1 10.759 -3.767 -4.453 3 HA3 GLY 1 1HA GLY 1 12.113 -3.561 -3.349 4 H VAL 2 H VAL 2 10.593 -1.667 -1.626 5 HA VAL 2 HA VAL 2 9.325 -3.680 -0.025 6 HB VAL 2 HB VAL 2 9.609 -0.713 0.529 7 HG11 VAL 2 1HG1 VAL 2 9.285 -1.360 2.866 8 HG12 VAL 2 2HG1 VAL 2 9.071 -3.037 2.370 9 HG13 VAL 2 3HG1 VAL 2 7.901 -1.814 1.872 10 HG21 VAL 2 3HG2 VAL 2 11.802 -1.745 0.195 11 HG22 VAL 2 1HG2 VAL 2 11.402 -2.991 1.379 12 HG23 VAL 2 2HG2 VAL 2 11.555 -1.310 1.888 13 H ABA 3 H ABU 3 7.387 -4.230 -0.621 14 HA ABA 3 HA ABU 3 5.608 -2.389 -1.931 15 HB3 ABA 3 1HB ABU 3 5.251 -5.289 -1.177 16 HB2 ABA 3 2HB ABU 3 5.851 -4.705 -2.722 17 HG1 ABA 3 1HG ABU 3 3.538 -5.361 -2.897 18 HG3 ABA 3 3HG ABU 3 3.105 -4.237 -1.606 19 HG2 ABA 3 2HG ABU 3 3.710 -3.625 -3.151 20 H ARG 4 H ARG 4 4.271 -1.152 -0.909 21 HA ARG 4 HA ARG 4 3.402 -1.775 1.826 22 HB2 ARG 4 2HB ARG 4 3.255 0.800 0.246 23 HB3 ARG 4 1HB ARG 4 2.745 0.597 1.913 24 HG2 ARG 4 2HG ARG 4 5.556 0.350 0.863 25 HG3 ARG 4 1HG ARG 4 4.890 1.690 1.802 26 HD2 ARG 4 2HD ARG 4 4.453 0.122 3.660 27 HD3 ARG 4 1HD ARG 4 5.180 -1.156 2.687 28 HE ARG 4 HE ARG 4 6.975 0.955 2.891 29 HH11 ARG 4 1HH1 ARG 4 5.607 -1.659 4.848 30 HH12 ARG 4 2HH1 ARG 4 6.888 -1.720 5.951 31 HH21 ARG 4 1HH2 ARG 4 8.765 0.849 4.327 32 HH22 ARG 4 2HH2 ARG 4 8.777 -0.265 5.627 33 H CYS 5 H CYS 5 1.468 -2.724 1.940 34 HA CYS 5 HA CYS 5 -0.465 -2.146 -0.182 35 HB2 CYS 5 2HB CYS 5 -0.373 -4.427 1.777 36 HB3 CYS 5 1HB CYS 5 -1.593 -4.187 0.529 37 H VAL 6 H VAL 6 -1.943 -0.806 0.258 38 HA VAL 6 HA VAL 6 -2.856 -0.475 3.047 39 HB VAL 6 HB VAL 6 -2.924 1.640 0.885 40 HG11 VAL 6 1HG1 VAL 6 -3.380 3.203 2.717 41 HG12 VAL 6 2HG1 VAL 6 -3.361 1.853 3.855 42 HG13 VAL 6 3HG1 VAL 6 -4.600 1.930 2.599 43 HG21 VAL 6 3HG2 VAL 6 -1.060 2.761 2.057 44 HG22 VAL 6 1HG2 VAL 6 -0.585 1.189 1.415 45 HG23 VAL 6 2HG2 VAL 6 -0.922 1.372 3.134 46 H ABA 7 H ABU 7 -5.016 -0.627 3.339 47 HA ABA 7 HA ABU 7 -6.622 -1.213 0.953 48 HB3 ABA 7 1HB ABU 7 -6.970 -2.300 3.761 49 HB2 ABA 7 2HB ABU 7 -6.264 -3.182 2.413 50 HG1 ABA 7 1HG ABU 7 -8.397 -3.083 1.223 51 HG3 ABA 7 3HG ABU 7 -8.564 -3.867 2.796 52 HG2 ABA 7 2HG ABU 7 -9.103 -2.200 2.576 53 H ARG 8 H ARG 8 -7.686 0.571 0.522 54 HA ARG 8 HA ARG 8 -9.297 1.759 2.658 55 HB2 ARG 8 2HB ARG 8 -7.674 3.289 0.616 56 HB3 ARG 8 1HB ARG 8 -8.955 4.013 1.576 57 HG2 ARG 8 2HG ARG 8 -7.720 3.418 3.617 58 HG3 ARG 8 1HG ARG 8 -6.432 2.766 2.616 59 HD2 ARG 8 2HD ARG 8 -6.051 4.970 1.643 60 HD3 ARG 8 1HD ARG 8 -7.385 5.629 2.596 61 HE ARG 8 HE ARG 8 -5.408 4.313 4.171 62 HH11 ARG 8 1HH1 ARG 8 -6.102 7.432 2.622 63 HH12 ARG 8 2HH1 ARG 8 -5.273 8.328 3.809 64 HH21 ARG 8 1HH2 ARG 8 -4.257 5.543 5.715 65 HH22 ARG 8 2HH2 ARG 8 -4.170 7.245 5.585 66 H ARG 9 H ARG 9 -11.345 2.069 2.142 67 HA ARG 9 HA ARG 9 -13.294 2.012 1.035 68 HB2 ARG 9 2HB ARG 9 -12.261 4.047 -0.024 69 HB3 ARG 9 1HB ARG 9 -11.638 3.028 -1.303 70 HG2 ARG 9 2HG ARG 9 -13.910 2.555 -2.044 71 HG3 ARG 9 1HG ARG 9 -14.553 3.512 -0.706 72 HD2 ARG 9 2HD ARG 9 -12.752 4.562 -2.888 73 HD3 ARG 9 1HD ARG 9 -14.499 4.758 -2.843 74 HE ARG 9 HE ARG 9 -13.562 5.747 -0.447 75 HH11 ARG 9 1HH1 ARG 9 -13.037 6.538 -3.850 76 HH12 ARG 9 2HH1 ARG 9 -12.850 8.202 -3.589 77 HH21 ARG 9 1HH2 ARG 9 -13.274 8.036 -0.073 78 HH22 ARG 9 2HH2 ARG 9 -12.940 9.085 -1.374 79 H GLY 10 H GLY 10 -11.930 -0.290 1.266 80 HA2 GLY 10 2HA GLY 10 -12.105 -2.474 0.693 81 HA3 GLY 10 1HA GLY 10 -13.187 -1.939 -0.582 82 H VAL 11 H VAL 11 -10.308 -0.308 -0.991 83 HA VAL 11 HA VAL 11 -9.451 -2.217 -3.030 84 HB VAL 11 HB VAL 11 -8.756 0.723 -2.730 85 HG11 VAL 11 1HG1 VAL 11 -8.240 -1.168 -5.025 86 HG12 VAL 11 2HG1 VAL 11 -7.030 -0.529 -3.915 87 HG13 VAL 11 3HG1 VAL 11 -7.877 0.559 -5.014 88 HG21 VAL 11 3HG2 VAL 11 -10.712 -0.598 -4.617 89 HG22 VAL 11 1HG2 VAL 11 -10.258 1.106 -4.636 90 HG23 VAL 11 2HG2 VAL 11 -11.121 0.440 -3.250 91 H ABA 12 H ABU 12 -7.756 -3.421 -2.539 92 HA ABA 12 HA ABU 12 -5.880 -2.544 -0.473 93 HB3 ABA 12 1HB ABU 12 -6.101 -5.224 -1.888 94 HB2 ABA 12 2HB ABU 12 -6.838 -4.850 -0.334 95 HG1 ABA 12 1HG ABU 12 -4.793 -6.131 -0.045 96 HG3 ABA 12 3HG ABU 12 -3.880 -4.890 -0.903 97 HG2 ABA 12 2HG ABU 12 -4.627 -4.521 0.651 98 H ARG 13 H ARG 13 -4.730 -1.038 -1.526 99 HA ARG 13 HA ARG 13 -3.577 -1.623 -4.145 100 HB2 ARG 13 2HB ARG 13 -4.688 0.555 -3.775 101 HB3 ARG 13 1HB ARG 13 -3.520 0.923 -2.515 102 HG2 ARG 13 2HG ARG 13 -1.714 0.795 -4.206 103 HG3 ARG 13 1HG ARG 13 -2.940 0.540 -5.448 104 HD2 ARG 13 2HD ARG 13 -2.320 2.869 -5.432 105 HD3 ARG 13 1HD ARG 13 -3.959 2.707 -4.814 106 HE ARG 13 HE ARG 13 -1.978 2.697 -2.753 107 HH11 ARG 13 1HH1 ARG 13 -3.929 4.785 -4.814 108 HH12 ARG 13 2HH1 ARG 13 -3.880 6.124 -3.772 109 HH21 ARG 13 1HH2 ARG 13 -1.888 4.573 -1.288 110 HH22 ARG 13 2HH2 ARG 13 -2.725 5.983 -1.707 111 H CYS 14 H CYS 14 -1.603 -2.402 -4.283 112 HA CYS 14 HA CYS 14 0.229 -1.993 -2.045 113 HB2 CYS 14 2HB CYS 14 0.255 -4.072 -4.231 114 HB3 CYS 14 1HB CYS 14 1.452 -3.930 -2.958 115 H VAL 15 H VAL 15 1.738 -0.618 -2.304 116 HA VAL 15 HA VAL 15 2.525 0.187 -5.027 117 HB VAL 15 HB VAL 15 2.843 1.857 -2.546 118 HG11 VAL 15 1HG1 VAL 15 2.996 3.718 -4.133 119 HG12 VAL 15 2HG1 VAL 15 2.836 2.577 -5.464 120 HG13 VAL 15 3HG1 VAL 15 4.242 2.498 -4.395 121 HG21 VAL 15 3HG2 VAL 15 0.518 1.933 -4.469 122 HG22 VAL 15 1HG2 VAL 15 0.820 3.111 -3.191 123 HG23 VAL 15 2HG2 VAL 15 0.459 1.436 -2.777 124 H ABA 16 H ABU 16 4.592 -0.043 -5.500 125 HA ABA 16 HA ABU 16 6.330 -1.294 -3.557 126 HB3 ABA 16 1HB ABU 16 6.705 -0.778 -6.509 127 HB2 ABA 16 2HB ABU 16 6.128 -2.275 -5.790 128 HG1 ABA 16 1HG ABU 16 8.467 -2.438 -6.447 129 HG3 ABA 16 3HG ABU 16 8.858 -1.082 -5.389 130 HG2 ABA 16 2HG ABU 16 8.272 -2.599 -4.702 131 H ARG 17 H ARG 17 7.576 -0.086 -2.313 132 HA ARG 17 HA ARG 17 8.754 2.363 -3.435 133 HB2 ARG 17 2HB ARG 17 8.428 1.513 -0.538 134 HB3 ARG 17 1HB ARG 17 9.132 3.027 -1.089 135 HG2 ARG 17 2HG ARG 17 6.267 2.171 -1.444 136 HG3 ARG 17 1HG ARG 17 6.867 3.358 -0.281 137 HD2 ARG 17 2HD ARG 17 7.627 4.776 -2.125 138 HD3 ARG 17 1HD ARG 17 7.059 3.578 -3.286 139 HE ARG 17 HE ARG 17 5.029 4.422 -1.501 140 HH11 ARG 17 1HH1 ARG 17 6.738 5.315 -4.469 141 HH12 ARG 17 2HH1 ARG 17 5.474 6.229 -5.120 142 HH21 ARG 17 1HH2 ARG 17 3.226 5.685 -2.426 143 HH22 ARG 17 2HH2 ARG 17 3.445 6.455 -3.922 144 H ARG 18 H ARG 18 10.497 1.549 -4.403 145 HA ARG 18 HA ARG 18 12.359 0.367 -4.863 146 HB2 ARG 18 2HB ARG 18 13.196 2.221 -3.398 147 HB3 ARG 18 1HB ARG 18 13.115 1.116 -2.027 148 HG2 ARG 18 2HG ARG 18 14.722 -0.357 -3.117 149 HG3 ARG 18 1HG ARG 18 14.820 0.755 -4.480 150 HD2 ARG 18 2HD ARG 18 15.668 2.494 -2.976 151 HD3 ARG 18 1HD ARG 18 15.582 1.353 -1.629 152 HE ARG 18 HE ARG 18 17.045 0.134 -3.592 153 HH11 ARG 18 1HH1 ARG 18 17.396 3.026 -1.546 154 HH12 ARG 18 2HH1 ARG 18 19.082 3.036 -1.588 155 HH21 ARG 18 1HH2 ARG 18 19.404 0.140 -3.631 156 HH22 ARG 18 2HH2 ARG 18 20.257 1.344 -2.793 Start of MODEL 7 1 H1 GLY 1 H GLY 1 11.035 -2.345 -4.464 2 HA2 GLY 1 2HA GLY 1 11.110 -4.467 -3.582 3 HA3 GLY 1 1HA GLY 1 12.448 -3.912 -2.593 4 H VAL 2 H VAL 2 10.665 -1.547 -1.746 5 HA VAL 2 HA VAL 2 9.486 -2.970 0.495 6 HB VAL 2 HB VAL 2 9.739 0.020 0.023 7 HG11 VAL 2 1HG1 VAL 2 9.301 0.243 2.427 8 HG12 VAL 2 2HG1 VAL 2 9.070 -1.501 2.547 9 HG13 VAL 2 3HG1 VAL 2 7.952 -0.527 1.592 10 HG21 VAL 2 3HG2 VAL 2 11.931 -1.043 0.171 11 HG22 VAL 2 1HG2 VAL 2 11.465 -1.818 1.685 12 HG23 VAL 2 2HG2 VAL 2 11.616 -0.063 1.604 13 H ABA 3 H ABU 3 7.492 -3.689 0.190 14 HA ABA 3 HA ABU 3 5.662 -2.112 -1.476 15 HB3 ABA 3 1HB ABU 3 5.536 -5.050 -0.763 16 HB2 ABA 3 2HB ABU 3 6.127 -4.409 -2.291 17 HG1 ABA 3 1HG ABU 3 3.920 -3.520 -2.798 18 HG3 ABA 3 3HG ABU 3 3.831 -5.253 -2.472 19 HG2 ABA 3 2HG ABU 3 3.322 -4.096 -1.245 20 H ARG 4 H ARG 4 3.962 -1.230 -0.581 21 HA ARG 4 HA ARG 4 3.022 -2.218 2.018 22 HB2 ARG 4 2HB ARG 4 4.199 -0.119 2.395 23 HB3 ARG 4 1HB ARG 4 3.284 0.654 1.112 24 HG2 ARG 4 2HG ARG 4 1.238 0.437 2.385 25 HG3 ARG 4 1HG ARG 4 2.096 -0.446 3.645 26 HD2 ARG 4 2HD ARG 4 2.693 2.387 2.826 27 HD3 ARG 4 1HD ARG 4 1.696 1.924 4.205 28 HE ARG 4 HE ARG 4 4.229 0.677 4.305 29 HH11 ARG 4 1HH1 ARG 4 2.647 3.788 4.857 30 HH12 ARG 4 2HH1 ARG 4 3.760 4.321 6.029 31 HH21 ARG 4 1HH2 ARG 4 5.777 1.409 5.937 32 HH22 ARG 4 2HH2 ARG 4 5.560 2.920 6.677 33 H CYS 5 H CYS 5 0.956 -2.830 1.935 34 HA CYS 5 HA CYS 5 -0.661 -1.866 -0.296 35 HB2 CYS 5 2HB CYS 5 -0.979 -4.341 1.384 36 HB3 CYS 5 1HB CYS 5 -2.019 -3.862 0.048 37 H VAL 6 H VAL 6 -2.082 -0.466 0.101 38 HA VAL 6 HA VAL 6 -3.087 -0.140 2.836 39 HB VAL 6 HB VAL 6 -3.370 1.732 0.513 40 HG11 VAL 6 1HG1 VAL 6 -3.897 3.442 2.219 41 HG12 VAL 6 2HG1 VAL 6 -3.800 2.192 3.458 42 HG13 VAL 6 3HG1 VAL 6 -5.037 2.097 2.208 43 HG21 VAL 6 3HG2 VAL 6 -0.992 1.512 1.009 44 HG22 VAL 6 1HG2 VAL 6 -1.294 1.861 2.707 45 HG23 VAL 6 2HG2 VAL 6 -1.560 3.110 1.491 46 H ABA 7 H ABU 7 -5.033 -0.751 3.157 47 HA ABA 7 HA ABU 7 -6.741 -1.471 0.886 48 HB3 ABA 7 1HB ABU 7 -7.078 -2.222 3.806 49 HB2 ABA 7 2HB ABU 7 -6.293 -3.241 2.604 50 HG1 ABA 7 1HG ABU 7 -9.170 -2.367 2.554 51 HG3 ABA 7 3HG ABU 7 -8.382 -3.385 1.352 52 HG2 ABA 7 2HG ABU 7 -8.577 -3.968 3.005 53 H ARG 8 H ARG 8 -7.571 0.399 0.315 54 HA ARG 8 HA ARG 8 -8.893 1.992 2.371 55 HB2 ARG 8 2HB ARG 8 -8.855 3.868 0.708 56 HB3 ARG 8 1HB ARG 8 -7.271 3.324 1.227 57 HG2 ARG 8 2HG ARG 8 -6.998 2.089 -0.861 58 HG3 ARG 8 1HG ARG 8 -8.608 2.589 -1.373 59 HD2 ARG 8 2HD ARG 8 -6.872 3.950 -2.409 60 HD3 ARG 8 1HD ARG 8 -7.899 4.924 -1.357 61 HE ARG 8 HE ARG 8 -6.046 4.652 0.321 62 HH11 ARG 8 1HH1 ARG 8 -5.405 4.699 -3.166 63 HH12 ARG 8 2HH1 ARG 8 -3.778 5.186 -2.977 64 HH21 ARG 8 1HH2 ARG 8 -3.888 5.396 0.535 65 HH22 ARG 8 2HH2 ARG 8 -2.894 5.616 -0.843 66 H ARG 9 H ARG 9 -10.824 1.305 2.628 67 HA ARG 9 HA ARG 9 -12.986 0.841 2.345 68 HB2 ARG 9 2HB ARG 9 -12.784 3.238 1.572 69 HB3 ARG 9 1HB ARG 9 -12.754 2.640 -0.070 70 HG2 ARG 9 2HG ARG 9 -15.019 1.871 0.100 71 HG3 ARG 9 1HG ARG 9 -15.053 2.214 1.835 72 HD2 ARG 9 2HD ARG 9 -14.705 4.244 -0.367 73 HD3 ARG 9 1HD ARG 9 -16.169 3.988 0.589 74 HE ARG 9 HE ARG 9 -14.500 4.475 2.526 75 HH11 ARG 9 1HH1 ARG 9 -14.715 6.198 -0.572 76 HH12 ARG 9 2HH1 ARG 9 -14.086 7.657 0.019 77 HH21 ARG 9 1HH2 ARG 9 -13.627 6.510 3.353 78 HH22 ARG 9 2HH2 ARG 9 -13.475 7.847 2.319 79 H GLY 10 H GLY 10 -11.465 -1.160 1.442 80 HA2 GLY 10 2HA GLY 10 -12.144 -3.166 0.481 81 HA3 GLY 10 1HA GLY 10 -13.121 -2.198 -0.617 82 H VAL 11 H VAL 11 -10.680 -0.442 -1.125 83 HA VAL 11 HA VAL 11 -9.604 -2.174 -3.215 84 HB VAL 11 HB VAL 11 -9.224 0.811 -2.845 85 HG11 VAL 11 1HG1 VAL 11 -8.616 -0.976 -5.199 86 HG12 VAL 11 2HG1 VAL 11 -7.429 -0.212 -4.140 87 HG13 VAL 11 3HG1 VAL 11 -8.458 0.779 -5.175 88 HG21 VAL 11 3HG2 VAL 11 -11.093 -0.681 -4.675 89 HG22 VAL 11 1HG2 VAL 11 -10.847 1.067 -4.670 90 HG23 VAL 11 2HG2 VAL 11 -11.556 0.270 -3.263 91 H ABA 12 H ABU 12 -7.819 -3.236 -2.752 92 HA ABA 12 HA ABU 12 -5.949 -2.145 -0.807 93 HB3 ABA 12 1HB ABU 12 -6.024 -4.867 -2.142 94 HB2 ABA 12 2HB ABU 12 -6.690 -4.508 -0.556 95 HG1 ABA 12 1HG ABU 12 -3.788 -4.320 -1.319 96 HG3 ABA 12 3HG ABU 12 -4.463 -3.962 0.270 97 HG2 ABA 12 2HG ABU 12 -4.537 -5.605 -0.367 98 H ARG 13 H ARG 13 -4.807 -0.658 -1.798 99 HA ARG 13 HA ARG 13 -3.655 -1.294 -4.411 100 HB2 ARG 13 2HB ARG 13 -5.010 0.812 -4.187 101 HB3 ARG 13 1HB ARG 13 -3.830 1.400 -3.030 102 HG2 ARG 13 2HG ARG 13 -3.511 2.369 -5.258 103 HG3 ARG 13 1HG ARG 13 -2.115 1.424 -4.745 104 HD2 ARG 13 2HD ARG 13 -2.687 1.019 -7.097 105 HD3 ARG 13 1HD ARG 13 -2.835 -0.445 -6.136 106 HE ARG 13 HE ARG 13 -5.172 1.208 -6.884 107 HH11 ARG 13 1HH1 ARG 13 -3.619 -1.973 -6.674 108 HH12 ARG 13 2HH1 ARG 13 -4.944 -2.804 -7.333 109 HH21 ARG 13 1HH2 ARG 13 -6.964 0.020 -7.854 110 HH22 ARG 13 2HH2 ARG 13 -6.843 -1.679 -8.037 111 H CYS 14 H CYS 14 -1.523 -1.729 -4.533 112 HA CYS 14 HA CYS 14 0.022 -1.396 -2.080 113 HB2 CYS 14 2HB CYS 14 0.455 -3.292 -4.375 114 HB3 CYS 14 1HB CYS 14 1.391 -3.233 -2.886 115 H VAL 15 H VAL 15 1.595 -0.075 -2.032 116 HA VAL 15 HA VAL 15 2.668 1.011 -4.543 117 HB VAL 15 HB VAL 15 3.183 1.965 -1.728 118 HG11 VAL 15 1HG1 VAL 15 3.924 4.056 -2.790 119 HG12 VAL 15 2HG1 VAL 15 3.628 3.338 -4.372 120 HG13 VAL 15 3HG1 VAL 15 4.869 2.663 -3.317 121 HG21 VAL 15 3HG2 VAL 15 1.568 3.792 -2.132 122 HG22 VAL 15 1HG2 VAL 15 0.797 2.206 -2.154 123 HG23 VAL 15 2HG2 VAL 15 1.137 3.047 -3.669 124 H ABA 16 H ABU 16 4.650 0.425 -5.073 125 HA ABA 16 HA ABU 16 6.246 -1.029 -3.090 126 HB3 ABA 16 1HB ABU 16 5.963 -1.716 -6.029 127 HB2 ABA 16 2HB ABU 16 5.233 -2.613 -4.702 128 HG1 ABA 16 1HG ABU 16 7.444 -3.191 -3.859 129 HG3 ABA 16 3HG ABU 16 7.239 -3.716 -5.531 130 HG2 ABA 16 2HG ABU 16 8.184 -2.275 -5.169 131 H ARG 17 H ARG 17 7.982 0.075 -2.702 132 HA ARG 17 HA ARG 17 9.221 1.446 -4.957 133 HB2 ARG 17 2HB ARG 17 8.078 3.061 -3.430 134 HB3 ARG 17 1HB ARG 17 9.163 2.532 -2.145 135 HG2 ARG 17 2HG ARG 17 11.085 3.264 -3.464 136 HG3 ARG 17 1HG ARG 17 9.997 3.802 -4.739 137 HD2 ARG 17 2HD ARG 17 10.630 5.699 -3.444 138 HD3 ARG 17 1HD ARG 17 8.941 5.336 -3.095 139 HE ARG 17 HE ARG 17 10.497 4.032 -1.211 140 HH11 ARG 17 1HH1 ARG 17 9.683 7.334 -2.154 141 HH12 ARG 17 2HH1 ARG 17 9.996 8.007 -0.620 142 HH21 ARG 17 1HH2 ARG 17 10.945 4.970 0.921 143 HH22 ARG 17 2HH2 ARG 17 10.746 6.652 1.142 144 H ARG 18 H ARG 18 10.942 0.388 -5.374 145 HA ARG 18 HA ARG 18 12.865 -0.727 -5.268 146 HB2 ARG 18 2HB ARG 18 13.561 1.533 -4.518 147 HB3 ARG 18 1HB ARG 18 13.320 1.043 -2.852 148 HG2 ARG 18 2HG ARG 18 15.155 -0.496 -2.973 149 HG3 ARG 18 1HG ARG 18 15.299 -0.237 -4.717 150 HD2 ARG 18 2HD ARG 18 15.670 1.897 -2.632 151 HD3 ARG 18 1HD ARG 18 16.994 1.017 -3.403 152 HE ARG 18 HE ARG 18 15.716 1.936 -5.515 153 HH11 ARG 18 1HH1 ARG 18 16.607 3.682 -2.554 154 HH12 ARG 18 2HH1 ARG 18 16.833 5.177 -3.349 155 HH21 ARG 18 1HH2 ARG 18 16.004 4.005 -6.575 156 HH22 ARG 18 2HH2 ARG 18 16.481 5.366 -5.674 Start of MODEL 8 1 H1 GLY 1 H GLY 1 11.110 -1.306 -4.502 2 HA2 GLY 1 2HA GLY 1 11.565 -3.486 -4.028 3 HA3 GLY 1 1HA GLY 1 12.760 -2.902 -2.879 4 H VAL 2 H VAL 2 10.377 -1.132 -1.806 5 HA VAL 2 HA VAL 2 9.429 -3.255 -0.039 6 HB VAL 2 HB VAL 2 9.311 -0.249 0.349 7 HG11 VAL 2 1HG1 VAL 2 7.461 -1.395 1.481 8 HG12 VAL 2 2HG1 VAL 2 8.618 -0.757 2.647 9 HG13 VAL 2 3HG1 VAL 2 8.608 -2.482 2.262 10 HG21 VAL 2 3HG2 VAL 2 11.576 -1.188 0.446 11 HG22 VAL 2 1HG2 VAL 2 11.052 -2.316 1.692 12 HG23 VAL 2 2HG2 VAL 2 11.049 -0.581 2.018 13 H ABA 3 H ABU 3 7.623 -4.142 -0.683 14 HA ABA 3 HA ABU 3 5.549 -2.521 -1.931 15 HB3 ABA 3 1HB ABU 3 5.711 -5.522 -1.533 16 HB2 ABA 3 2HB ABU 3 6.194 -4.682 -3.002 17 HG1 ABA 3 1HG ABU 3 3.894 -3.924 -3.328 18 HG3 ABA 3 3HG ABU 3 4.001 -5.679 -3.259 19 HG2 ABA 3 2HG ABU 3 3.406 -4.780 -1.866 20 H ARG 4 H ARG 4 3.830 -1.898 -0.843 21 HA ARG 4 HA ARG 4 3.185 -3.197 1.695 22 HB2 ARG 4 2HB ARG 4 4.573 -1.172 2.079 23 HB3 ARG 4 1HB ARG 4 3.375 -0.222 1.226 24 HG2 ARG 4 2HG ARG 4 1.794 -0.461 2.942 25 HG3 ARG 4 1HG ARG 4 2.691 -1.792 3.686 26 HD2 ARG 4 2HD ARG 4 3.638 1.070 3.488 27 HD3 ARG 4 1HD ARG 4 3.013 0.288 4.949 28 HE ARG 4 HE ARG 4 5.026 -1.332 4.082 29 HH11 ARG 4 1HH1 ARG 4 4.875 2.080 5.110 30 HH12 ARG 4 2HH1 ARG 4 6.486 2.099 5.674 31 HH21 ARG 4 1HH2 ARG 4 7.261 -1.252 4.887 32 HH22 ARG 4 2HH2 ARG 4 7.831 0.213 5.545 33 H CYS 5 H CYS 5 1.130 -3.721 1.759 34 HA CYS 5 HA CYS 5 -0.709 -2.519 -0.178 35 HB2 CYS 5 2HB CYS 5 -0.880 -5.161 1.266 36 HB3 CYS 5 1HB CYS 5 -1.990 -4.575 0.036 37 H VAL 6 H VAL 6 -2.140 -1.220 0.490 38 HA VAL 6 HA VAL 6 -3.162 -1.441 3.239 39 HB VAL 6 HB VAL 6 -2.767 1.144 1.714 40 HG11 VAL 6 1HG1 VAL 6 -3.475 0.640 4.587 41 HG12 VAL 6 2HG1 VAL 6 -4.558 1.218 3.319 42 HG13 VAL 6 3HG1 VAL 6 -3.215 2.225 3.859 43 HG21 VAL 6 3HG2 VAL 6 -0.908 1.669 3.221 44 HG22 VAL 6 1HG2 VAL 6 -0.566 0.230 2.262 45 HG23 VAL 6 2HG2 VAL 6 -1.046 0.063 3.951 46 H ABA 7 H ABU 7 -5.360 -1.335 3.313 47 HA ABA 7 HA ABU 7 -6.727 -1.303 0.788 48 HB3 ABA 7 1HB ABU 7 -7.495 -3.004 2.289 49 HB2 ABA 7 2HB ABU 7 -8.782 -1.823 2.137 50 HG1 ABA 7 1HG ABU 7 -8.593 -2.546 4.423 51 HG3 ABA 7 3HG ABU 7 -6.894 -2.073 4.458 52 HG2 ABA 7 2HG ABU 7 -8.146 -0.842 4.283 53 H ARG 8 H ARG 8 -7.423 0.361 -0.130 54 HA ARG 8 HA ARG 8 -8.137 2.745 1.438 55 HB2 ARG 8 2HB ARG 8 -7.169 2.570 -1.428 56 HB3 ARG 8 1HB ARG 8 -7.566 4.044 -0.566 57 HG2 ARG 8 2HG ARG 8 -5.301 2.176 0.115 58 HG3 ARG 8 1HG ARG 8 -5.145 3.698 -0.754 59 HD2 ARG 8 2HD ARG 8 -6.014 4.892 1.200 60 HD3 ARG 8 1HD ARG 8 -6.129 3.360 2.076 61 HE ARG 8 HE ARG 8 -3.531 3.647 1.112 62 HH11 ARG 8 1HH1 ARG 8 -5.629 5.156 3.544 63 HH12 ARG 8 2HH1 ARG 8 -4.334 5.638 4.542 64 HH21 ARG 8 1HH2 ARG 8 -1.800 4.270 2.470 65 HH22 ARG 8 2HH2 ARG 8 -2.082 5.058 3.947 66 H ARG 9 H ARG 9 -10.257 2.791 1.557 67 HA ARG 9 HA ARG 9 -12.431 2.639 1.136 68 HB2 ARG 9 2HB ARG 9 -11.764 4.417 -0.501 69 HB3 ARG 9 1HB ARG 9 -11.625 3.184 -1.740 70 HG2 ARG 9 2HG ARG 9 -13.987 2.753 -1.653 71 HG3 ARG 9 1HG ARG 9 -14.173 3.832 -0.268 72 HD2 ARG 9 2HD ARG 9 -13.238 4.659 -3.017 73 HD3 ARG 9 1HD ARG 9 -14.862 4.906 -2.372 74 HE ARG 9 HE ARG 9 -12.907 6.010 -0.638 75 HH11 ARG 9 1HH1 ARG 9 -14.494 6.672 -3.723 76 HH12 ARG 9 2HH1 ARG 9 -14.377 8.360 -3.586 77 HH21 ARG 9 1HH2 ARG 9 -12.737 8.319 -0.446 78 HH22 ARG 9 2HH2 ARG 9 -13.375 9.313 -1.683 79 H GLY 10 H GLY 10 -11.288 0.296 1.460 80 HA2 GLY 10 2HA GLY 10 -11.866 -1.869 1.389 81 HA3 GLY 10 1HA GLY 10 -13.062 -1.443 0.180 82 H VAL 11 H VAL 11 -10.309 -0.260 -1.106 83 HA VAL 11 HA VAL 11 -9.874 -2.750 -2.595 84 HB VAL 11 HB VAL 11 -9.114 0.081 -3.319 85 HG11 VAL 11 1HG1 VAL 11 -7.615 -1.500 -4.367 86 HG12 VAL 11 2HG1 VAL 11 -8.705 -0.838 -5.587 87 HG13 VAL 11 3HG1 VAL 11 -8.975 -2.458 -4.949 88 HG21 VAL 11 3HG2 VAL 11 -10.916 -0.016 -4.981 89 HG22 VAL 11 1HG2 VAL 11 -11.537 -0.202 -3.343 90 HG23 VAL 11 2HG2 VAL 11 -11.372 -1.613 -4.391 91 H ABA 12 H ABU 12 -8.057 -3.837 -2.235 92 HA ABA 12 HA ABU 12 -6.057 -2.818 -0.471 93 HB3 ABA 12 1HB ABU 12 -6.047 -5.319 -2.182 94 HB2 ABA 12 2HB ABU 12 -6.666 -5.223 -0.538 95 HG1 ABA 12 1HG ABU 12 -4.462 -6.229 -0.571 96 HG3 ABA 12 3HG ABU 12 -3.804 -4.800 -1.366 97 HG2 ABA 12 2HG ABU 12 -4.426 -4.683 0.278 98 H ARG 13 H ARG 13 -4.829 -1.213 -1.215 99 HA ARG 13 HA ARG 13 -3.810 -1.361 -3.938 100 HB2 ARG 13 2HB ARG 13 -3.925 0.910 -1.960 101 HB3 ARG 13 1HB ARG 13 -3.053 1.006 -3.477 102 HG2 ARG 13 2HG ARG 13 -5.159 0.606 -4.685 103 HG3 ARG 13 1HG ARG 13 -6.015 0.574 -3.140 104 HD2 ARG 13 2HD ARG 13 -6.198 2.772 -4.210 105 HD3 ARG 13 1HD ARG 13 -5.311 2.870 -2.694 106 HE ARG 13 HE ARG 13 -3.598 2.504 -4.935 107 HH11 ARG 13 1HH1 ARG 13 -5.454 5.042 -3.247 108 HH12 ARG 13 2HH1 ARG 13 -4.375 6.280 -3.656 109 HH21 ARG 13 1HH2 ARG 13 -2.156 4.266 -5.516 110 HH22 ARG 13 2HH2 ARG 13 -2.482 5.842 -4.971 111 H CYS 14 H CYS 14 -1.902 -2.189 -4.189 112 HA CYS 14 HA CYS 14 -0.017 -2.158 -1.965 113 HB2 CYS 14 2HB CYS 14 0.007 -3.758 -4.519 114 HB3 CYS 14 1HB CYS 14 1.162 -3.894 -3.196 115 H VAL 15 H VAL 15 1.451 -0.743 -1.947 116 HA VAL 15 HA VAL 15 2.265 0.543 -4.466 117 HB VAL 15 HB VAL 15 2.683 1.536 -1.643 118 HG11 VAL 15 1HG1 VAL 15 3.202 3.696 -2.669 119 HG12 VAL 15 2HG1 VAL 15 2.988 2.978 -4.268 120 HG13 VAL 15 3HG1 VAL 15 4.284 2.417 -3.225 121 HG21 VAL 15 3HG2 VAL 15 0.539 2.387 -3.592 122 HG22 VAL 15 1HG2 VAL 15 0.875 3.174 -2.050 123 HG23 VAL 15 2HG2 VAL 15 0.286 1.510 -2.083 124 H ABA 16 H ABU 16 4.340 0.335 -5.022 125 HA ABA 16 HA ABU 16 6.114 -1.098 -3.173 126 HB3 ABA 16 1HB ABU 16 6.091 -1.254 -6.199 127 HB2 ABA 16 2HB ABU 16 5.411 -2.476 -5.135 128 HG1 ABA 16 1HG ABU 16 8.312 -1.686 -5.268 129 HG3 ABA 16 3HG ABU 16 7.629 -2.920 -4.211 130 HG2 ABA 16 2HG ABU 16 7.598 -3.144 -5.961 131 H ARG 17 H ARG 17 7.548 0.228 -2.445 132 HA ARG 17 HA ARG 17 8.653 2.252 -4.261 133 HB2 ARG 17 2HB ARG 17 8.181 2.501 -1.300 134 HB3 ARG 17 1HB ARG 17 9.053 3.671 -2.279 135 HG2 ARG 17 2HG ARG 17 7.009 4.016 -3.604 136 HG3 ARG 17 1HG ARG 17 6.169 2.904 -2.522 137 HD2 ARG 17 2HD ARG 17 6.662 4.351 -0.638 138 HD3 ARG 17 1HD ARG 17 7.533 5.449 -1.713 139 HE ARG 17 HE ARG 17 5.211 5.462 -2.889 140 HH11 ARG 17 1HH1 ARG 17 5.879 5.572 0.582 141 HH12 ARG 17 2HH1 ARG 17 4.482 6.444 0.970 142 HH21 ARG 17 1HH2 ARG 17 3.352 6.694 -2.394 143 HH22 ARG 17 2HH2 ARG 17 2.979 7.128 -0.785 144 H ARG 18 H ARG 18 10.459 1.440 -4.856 145 HA ARG 18 HA ARG 18 12.580 0.765 -4.908 146 HB2 ARG 18 2HB ARG 18 12.626 2.901 -3.406 147 HB3 ARG 18 1HB ARG 18 12.971 1.766 -2.115 148 HG2 ARG 18 2HG ARG 18 14.907 0.950 -3.322 149 HG3 ARG 18 1HG ARG 18 14.599 2.118 -4.613 150 HD2 ARG 18 2HD ARG 18 16.272 3.046 -3.212 151 HD3 ARG 18 1HD ARG 18 14.768 3.907 -2.883 152 HE ARG 18 HE ARG 18 15.415 1.643 -1.204 153 HH11 ARG 18 1HH1 ARG 18 15.180 5.167 -1.501 154 HH12 ARG 18 2HH1 ARG 18 15.512 5.465 0.140 155 HH21 ARG 18 1HH2 ARG 18 15.866 2.070 1.050 156 HH22 ARG 18 2HH2 ARG 18 15.956 3.680 1.603 Start of MODEL 9 1 H1 GLY 1 H GLY 1 10.610 -1.357 -4.286 2 HA2 GLY 1 2HA GLY 1 11.166 -3.583 -3.877 3 HA3 GLY 1 1HA GLY 1 12.372 -2.972 -2.752 4 H VAL 2 H VAL 2 10.199 -1.145 -1.645 5 HA VAL 2 HA VAL 2 9.251 -3.084 0.298 6 HB VAL 2 HB VAL 2 8.965 -0.062 0.302 7 HG11 VAL 2 1HG1 VAL 2 8.523 -2.069 2.510 8 HG12 VAL 2 2HG1 VAL 2 7.271 -1.146 1.670 9 HG13 VAL 2 3HG1 VAL 2 8.445 -0.314 2.686 10 HG21 VAL 2 3HG2 VAL 2 10.960 -1.809 1.744 11 HG22 VAL 2 1HG2 VAL 2 10.779 -0.069 1.961 12 HG23 VAL 2 2HG2 VAL 2 11.309 -0.712 0.408 13 H ABA 3 H ABU 3 7.515 -4.132 -0.355 14 HA ABA 3 HA ABU 3 5.422 -2.818 -1.867 15 HB3 ABA 3 1HB ABU 3 5.578 -5.640 -0.764 16 HB2 ABA 3 2HB ABU 3 6.055 -5.166 -2.388 17 HG1 ABA 3 1HG ABU 3 3.757 -4.545 -2.902 18 HG3 ABA 3 3HG ABU 3 3.865 -6.227 -2.385 19 HG2 ABA 3 2HG ABU 3 3.266 -4.998 -1.273 20 H ARG 4 H ARG 4 4.207 -1.484 -0.720 21 HA ARG 4 HA ARG 4 3.300 -2.362 1.932 22 HB2 ARG 4 2HB ARG 4 4.527 -0.200 1.879 23 HB3 ARG 4 1HB ARG 4 3.340 0.431 0.752 24 HG2 ARG 4 2HG ARG 4 1.593 0.229 2.421 25 HG3 ARG 4 1HG ARG 4 2.735 -0.481 3.560 26 HD2 ARG 4 2HD ARG 4 2.381 1.859 4.070 27 HD3 ARG 4 1HD ARG 4 4.035 1.607 3.531 28 HE ARG 4 HE ARG 4 3.244 2.445 1.313 29 HH11 ARG 4 1HH1 ARG 4 1.657 3.481 4.292 30 HH12 ARG 4 2HH1 ARG 4 1.070 4.932 3.672 31 HH21 ARG 4 1HH2 ARG 4 2.499 4.456 0.441 32 HH22 ARG 4 2HH2 ARG 4 1.563 5.522 1.385 33 H CYS 5 H CYS 5 1.342 -3.249 1.865 34 HA CYS 5 HA CYS 5 -0.506 -2.387 -0.222 35 HB2 CYS 5 2HB CYS 5 -0.668 -4.766 1.618 36 HB3 CYS 5 1HB CYS 5 -1.787 -4.395 0.313 37 H VAL 6 H VAL 6 -1.908 -1.000 0.135 38 HA VAL 6 HA VAL 6 -2.823 -0.570 2.898 39 HB VAL 6 HB VAL 6 -2.913 1.380 0.621 40 HG11 VAL 6 1HG1 VAL 6 -4.601 1.831 2.276 41 HG12 VAL 6 2HG1 VAL 6 -3.355 3.077 2.368 42 HG13 VAL 6 3HG1 VAL 6 -3.397 1.780 3.563 43 HG21 VAL 6 3HG2 VAL 6 -0.906 1.272 2.879 44 HG22 VAL 6 1HG2 VAL 6 -1.051 2.593 1.721 45 HG23 VAL 6 2HG2 VAL 6 -0.573 0.983 1.172 46 H ABA 7 H ABU 7 -4.823 -0.959 3.226 47 HA ABA 7 HA ABU 7 -6.646 -1.539 1.022 48 HB3 ABA 7 1HB ABU 7 -8.173 -2.352 2.806 49 HB2 ABA 7 2HB ABU 7 -6.980 -1.883 4.013 50 HG1 ABA 7 1HG ABU 7 -6.894 -4.270 3.598 51 HG3 ABA 7 3HG ABU 7 -6.616 -3.976 1.884 52 HG2 ABA 7 2HG ABU 7 -5.401 -3.499 3.066 53 H ARG 8 H ARG 8 -7.136 0.395 0.212 54 HA ARG 8 HA ARG 8 -8.094 2.466 2.045 55 HB2 ARG 8 2HB ARG 8 -6.205 2.969 0.461 56 HB3 ARG 8 1HB ARG 8 -7.324 2.710 -0.866 57 HG2 ARG 8 2HG ARG 8 -7.070 5.069 -0.474 58 HG3 ARG 8 1HG ARG 8 -8.703 4.581 -0.014 59 HD2 ARG 8 2HD ARG 8 -8.058 4.537 2.330 60 HD3 ARG 8 1HD ARG 8 -6.392 4.920 1.899 61 HE ARG 8 HE ARG 8 -8.286 6.842 0.965 62 HH11 ARG 8 1HH1 ARG 8 -6.386 5.864 3.787 63 HH12 ARG 8 2HH1 ARG 8 -6.303 7.421 4.452 64 HH21 ARG 8 1HH2 ARG 8 -8.229 8.989 1.911 65 HH22 ARG 8 2HH2 ARG 8 -7.412 9.238 3.378 66 H ARG 9 H ARG 9 -10.173 1.892 2.362 67 HA ARG 9 HA ARG 9 -12.351 1.605 2.078 68 HB2 ARG 9 2HB ARG 9 -12.106 3.974 1.393 69 HB3 ARG 9 1HB ARG 9 -11.903 3.475 -0.273 70 HG2 ARG 9 2HG ARG 9 -14.168 4.405 0.322 71 HG3 ARG 9 1HG ARG 9 -14.185 2.817 -0.442 72 HD2 ARG 9 2HD ARG 9 -15.755 2.978 1.455 73 HD3 ARG 9 1HD ARG 9 -14.515 1.750 1.686 74 HE ARG 9 HE ARG 9 -13.852 4.269 2.846 75 HH11 ARG 9 1HH1 ARG 9 -15.621 1.243 3.385 76 HH12 ARG 9 2HH1 ARG 9 -15.563 1.344 5.087 77 HH21 ARG 9 1HH2 ARG 9 -13.773 4.372 5.244 78 HH22 ARG 9 2HH2 ARG 9 -14.503 3.106 6.134 79 H GLY 10 H GLY 10 -11.072 -0.539 1.235 80 HA2 GLY 10 2HA GLY 10 -11.971 -2.468 0.361 81 HA3 GLY 10 1HA GLY 10 -12.836 -1.449 -0.792 82 H VAL 11 H VAL 11 -10.282 0.048 -1.323 83 HA VAL 11 HA VAL 11 -9.360 -1.781 -3.348 84 HB VAL 11 HB VAL 11 -8.524 1.093 -2.845 85 HG11 VAL 11 1HG1 VAL 11 -6.848 -0.163 -4.100 86 HG12 VAL 11 2HG1 VAL 11 -7.640 1.022 -5.137 87 HG13 VAL 11 3HG1 VAL 11 -8.083 -0.681 -5.248 88 HG21 VAL 11 3HG2 VAL 11 -10.884 0.984 -3.407 89 HG22 VAL 11 1HG2 VAL 11 -10.527 -0.024 -4.811 90 HG23 VAL 11 2HG2 VAL 11 -9.973 1.648 -4.761 91 H ABA 12 H ABU 12 -8.051 -3.246 -2.525 92 HA ABA 12 HA ABU 12 -5.991 -2.586 -0.612 93 HB3 ABA 12 1HB ABU 12 -6.433 -5.125 -2.225 94 HB2 ABA 12 2HB ABU 12 -7.094 -4.836 -0.621 95 HG1 ABA 12 1HG ABU 12 -4.846 -4.746 0.311 96 HG3 ABA 12 3HG ABU 12 -5.121 -6.269 -0.537 97 HG2 ABA 12 2HG ABU 12 -4.168 -4.996 -1.296 98 H ARG 13 H ARG 13 -4.676 -1.147 -1.539 99 HA ARG 13 HA ARG 13 -3.637 -1.749 -4.199 100 HB2 ARG 13 2HB ARG 13 -4.702 0.455 -3.911 101 HB3 ARG 13 1HB ARG 13 -3.533 0.844 -2.655 102 HG2 ARG 13 2HG ARG 13 -1.722 0.670 -4.272 103 HG3 ARG 13 1HG ARG 13 -2.875 0.261 -5.539 104 HD2 ARG 13 2HD ARG 13 -2.282 2.576 -5.708 105 HD3 ARG 13 1HD ARG 13 -3.964 2.453 -5.194 106 HE ARG 13 HE ARG 13 -2.597 2.680 -2.878 107 HH11 ARG 13 1HH1 ARG 13 -2.635 4.619 -5.850 108 HH12 ARG 13 2HH1 ARG 13 -2.246 6.081 -5.063 109 HH21 ARG 13 1HH2 ARG 13 -2.074 4.746 -1.800 110 HH22 ARG 13 2HH2 ARG 13 -1.959 6.145 -2.747 111 H CYS 14 H CYS 14 -1.744 -2.640 -4.269 112 HA CYS 14 HA CYS 14 0.091 -2.233 -2.052 113 HB2 CYS 14 2HB CYS 14 0.260 -4.170 -4.351 114 HB3 CYS 14 1HB CYS 14 1.385 -4.062 -2.996 115 H VAL 15 H VAL 15 1.393 -0.774 -2.096 116 HA VAL 15 HA VAL 15 2.278 0.376 -4.652 117 HB VAL 15 HB VAL 15 2.665 1.494 -1.918 118 HG11 VAL 15 1HG1 VAL 15 2.958 3.659 -3.075 119 HG12 VAL 15 2HG1 VAL 15 2.743 2.833 -4.612 120 HG13 VAL 15 3HG1 VAL 15 4.126 2.439 -3.588 121 HG21 VAL 15 3HG2 VAL 15 0.358 2.112 -3.764 122 HG22 VAL 15 1HG2 VAL 15 0.722 3.001 -2.284 123 HG23 VAL 15 2HG2 VAL 15 0.260 1.300 -2.202 124 H ABA 16 H ABU 16 4.130 -0.301 -5.206 125 HA ABA 16 HA ABU 16 5.989 -1.380 -3.240 126 HB3 ABA 16 1HB ABU 16 7.167 -2.334 -5.139 127 HB2 ABA 16 2HB ABU 16 6.082 -1.546 -6.267 128 HG1 ABA 16 1HG ABU 16 4.221 -2.868 -5.371 129 HG3 ABA 16 3HG ABU 16 5.507 -3.882 -6.019 130 HG2 ABA 16 2HG ABU 16 5.340 -3.680 -4.275 131 H ARG 17 H ARG 17 7.228 0.067 -2.429 132 HA ARG 17 HA ARG 17 8.283 2.183 -4.165 133 HB2 ARG 17 2HB ARG 17 6.911 3.100 -2.383 134 HB3 ARG 17 1HB ARG 17 7.792 2.178 -1.178 135 HG2 ARG 17 2HG ARG 17 8.475 4.519 -1.139 136 HG3 ARG 17 1HG ARG 17 9.810 3.487 -1.646 137 HD2 ARG 17 2HD ARG 17 9.341 4.053 -3.986 138 HD3 ARG 17 1HD ARG 17 8.034 5.113 -3.464 139 HE ARG 17 HE ARG 17 10.215 5.997 -2.106 140 HH11 ARG 17 1HH1 ARG 17 9.465 5.494 -5.516 141 HH12 ARG 17 2HH1 ARG 17 10.470 6.732 -6.094 142 HH21 ARG 17 1HH2 ARG 17 11.620 7.740 -2.886 143 HH22 ARG 17 2HH2 ARG 17 11.747 8.040 -4.548 144 H ARG 18 H ARG 18 10.110 1.272 -4.888 145 HA ARG 18 HA ARG 18 12.251 0.645 -4.965 146 HB2 ARG 18 2HB ARG 18 12.424 2.822 -3.707 147 HB3 ARG 18 1HB ARG 18 12.428 1.910 -2.215 148 HG2 ARG 18 2HG ARG 18 14.674 2.592 -2.799 149 HG3 ARG 18 1HG ARG 18 14.530 0.836 -2.889 150 HD2 ARG 18 2HD ARG 18 14.294 0.957 -5.296 151 HD3 ARG 18 1HD ARG 18 14.360 2.716 -5.237 152 HE ARG 18 HE ARG 18 16.591 1.239 -4.139 153 HH11 ARG 18 1HH1 ARG 18 15.311 3.165 -6.837 154 HH12 ARG 18 2HH1 ARG 18 16.827 3.401 -7.571 155 HH21 ARG 18 1HH2 ARG 18 18.707 1.620 -5.169 156 HH22 ARG 18 2HH2 ARG 18 18.780 2.489 -6.624 Start of MODEL 10 1 H1 GLY 1 H GLY 1 9.811 0.877 -4.145 2 HA2 GLY 1 2HA GLY 1 10.862 -1.043 -4.851 3 HA3 GLY 1 1HA GLY 1 11.976 -0.831 -3.505 4 H VAL 2 H VAL 2 9.760 -0.493 -1.574 5 HA VAL 2 HA VAL 2 9.393 -3.342 -1.138 6 HB VAL 2 HB VAL 2 8.931 -1.009 0.727 7 HG11 VAL 2 1HG1 VAL 2 8.927 -3.974 1.270 8 HG12 VAL 2 2HG1 VAL 2 7.531 -2.898 1.327 9 HG13 VAL 2 3HG1 VAL 2 8.836 -2.716 2.501 10 HG21 VAL 2 3HG2 VAL 2 11.204 -2.992 0.620 11 HG22 VAL 2 1HG2 VAL 2 10.986 -1.748 1.851 12 HG23 VAL 2 2HG2 VAL 2 11.294 -1.289 0.174 13 H ABA 3 H ABU 3 7.577 -4.225 -1.731 14 HA ABA 3 HA ABU 3 5.231 -2.583 -2.167 15 HB3 ABA 3 1HB ABU 3 5.659 -5.545 -2.587 16 HB2 ABA 3 2HB ABU 3 5.836 -4.302 -3.818 17 HG1 ABA 3 1HG ABU 3 3.296 -5.027 -2.398 18 HG3 ABA 3 3HG ABU 3 3.460 -3.759 -3.611 19 HG2 ABA 3 2HG ABU 3 3.720 -5.443 -4.063 20 H ARG 4 H ARG 4 3.746 -2.316 -0.744 21 HA ARG 4 HA ARG 4 3.438 -4.271 1.427 22 HB2 ARG 4 2HB ARG 4 3.134 -1.265 1.599 23 HB3 ARG 4 1HB ARG 4 2.735 -2.391 2.883 24 HG2 ARG 4 2HG ARG 4 5.480 -1.902 1.742 25 HG3 ARG 4 1HG ARG 4 4.867 -1.299 3.281 26 HD2 ARG 4 2HD ARG 4 5.245 -4.205 2.535 27 HD3 ARG 4 1HD ARG 4 6.297 -3.262 3.583 28 HE ARG 4 HE ARG 4 3.491 -3.525 4.356 29 HH11 ARG 4 1HH1 ARG 4 6.835 -4.558 4.862 30 HH12 ARG 4 2HH1 ARG 4 6.540 -5.183 6.419 31 HH21 ARG 4 1HH2 ARG 4 3.087 -4.400 6.486 32 HH22 ARG 4 2HH2 ARG 4 4.372 -5.068 7.368 33 H CYS 5 H CYS 5 1.414 -4.956 1.715 34 HA CYS 5 HA CYS 5 -0.558 -3.917 -0.108 35 HB2 CYS 5 2HB CYS 5 -0.692 -6.273 1.750 36 HB3 CYS 5 1HB CYS 5 -1.866 -5.879 0.489 37 H VAL 6 H VAL 6 -1.976 -2.519 0.321 38 HA VAL 6 HA VAL 6 -2.582 -1.861 3.125 39 HB VAL 6 HB VAL 6 -2.007 0.109 0.877 40 HG11 VAL 6 1HG1 VAL 6 -2.019 1.832 2.621 41 HG12 VAL 6 2HG1 VAL 6 -2.473 0.605 3.806 42 HG13 VAL 6 3HG1 VAL 6 -3.570 1.004 2.487 43 HG21 VAL 6 3HG2 VAL 6 0.052 0.706 2.098 44 HG22 VAL 6 1HG2 VAL 6 0.067 -0.962 1.526 45 HG23 VAL 6 2HG2 VAL 6 -0.261 -0.621 3.222 46 H ABA 7 H ABU 7 -4.706 -0.957 3.354 47 HA ABA 7 HA ABU 7 -6.529 -1.528 1.209 48 HB3 ABA 7 1HB ABU 7 -7.028 -0.149 3.872 49 HB2 ABA 7 2HB ABU 7 -7.063 -1.895 3.670 50 HG1 ABA 7 1HG ABU 7 -8.890 0.053 2.305 51 HG3 ABA 7 3HG ABU 7 -8.926 -1.701 2.133 52 HG2 ABA 7 2HG ABU 7 -9.296 -0.966 3.691 53 H ARG 8 H ARG 8 -6.016 -0.189 -0.389 54 HA ARG 8 HA ARG 8 -5.518 2.642 0.084 55 HB2 ARG 8 2HB ARG 8 -3.854 1.299 -1.176 56 HB3 ARG 8 1HB ARG 8 -5.087 0.913 -2.362 57 HG2 ARG 8 2HG ARG 8 -5.263 3.286 -2.942 58 HG3 ARG 8 1HG ARG 8 -4.016 3.655 -1.749 59 HD2 ARG 8 2HD ARG 8 -2.453 2.186 -2.982 60 HD3 ARG 8 1HD ARG 8 -3.699 1.928 -4.203 61 HE ARG 8 HE ARG 8 -3.409 4.646 -3.910 62 HH11 ARG 8 1HH1 ARG 8 -1.423 1.925 -5.113 63 HH12 ARG 8 2HH1 ARG 8 -0.428 2.885 -6.075 64 HH21 ARG 8 1HH2 ARG 8 -2.022 5.972 -5.257 65 HH22 ARG 8 2HH2 ARG 8 -0.802 5.252 -6.194 66 H ARG 9 H ARG 9 -7.273 3.827 -0.047 67 HA ARG 9 HA ARG 9 -9.232 4.725 -0.650 68 HB2 ARG 9 2HB ARG 9 -8.046 4.753 -2.933 69 HB3 ARG 9 1HB ARG 9 -8.926 3.281 -3.299 70 HG2 ARG 9 2HG ARG 9 -11.045 4.521 -3.008 71 HG3 ARG 9 1HG ARG 9 -10.107 5.999 -2.775 72 HD2 ARG 9 2HD ARG 9 -9.075 5.628 -4.998 73 HD3 ARG 9 1HD ARG 9 -10.146 4.246 -5.228 74 HE ARG 9 HE ARG 9 -11.191 6.920 -4.707 75 HH11 ARG 9 1HH1 ARG 9 -11.165 4.017 -6.745 76 HH12 ARG 9 2HH1 ARG 9 -12.320 4.628 -7.842 77 HH21 ARG 9 1HH2 ARG 9 -12.779 7.710 -6.219 78 HH22 ARG 9 2HH2 ARG 9 -13.231 6.765 -7.555 79 H GLY 10 H GLY 10 -9.194 2.445 0.785 80 HA2 GLY 10 2HA GLY 10 -10.729 1.001 1.693 81 HA3 GLY 10 1HA GLY 10 -11.807 1.502 0.400 82 H VAL 11 H VAL 11 -9.118 0.570 -1.195 83 HA VAL 11 HA VAL 11 -10.195 -2.121 -1.643 84 HB VAL 11 HB VAL 11 -8.414 -0.482 -3.439 85 HG11 VAL 11 1HG1 VAL 11 -8.261 -2.858 -3.871 86 HG12 VAL 11 2HG1 VAL 11 -9.124 -2.067 -5.194 87 HG13 VAL 11 3HG1 VAL 11 -10.015 -2.981 -3.983 88 HG21 VAL 11 3HG2 VAL 11 -10.555 0.661 -3.195 89 HG22 VAL 11 1HG2 VAL 11 -11.407 -0.825 -3.617 90 HG23 VAL 11 2HG2 VAL 11 -10.395 -0.018 -4.817 91 H ABA 12 H ABU 12 -8.887 -3.790 -1.158 92 HA ABA 12 HA ABU 12 -6.307 -3.351 -0.009 93 HB3 ABA 12 1HB ABU 12 -7.630 -5.940 -0.873 94 HB2 ABA 12 2HB ABU 12 -7.772 -5.217 0.722 95 HG1 ABA 12 1HG ABU 12 -5.230 -6.241 -0.524 96 HG3 ABA 12 3HG ABU 12 -5.374 -5.517 1.080 97 HG2 ABA 12 2HG ABU 12 -6.183 -7.043 0.727 98 H ARG 13 H ARG 13 -4.773 -2.651 -1.320 99 HA ARG 13 HA ARG 13 -4.243 -4.111 -3.808 100 HB2 ARG 13 2HB ARG 13 -5.540 -1.913 -4.118 101 HB3 ARG 13 1HB ARG 13 -4.118 -1.103 -3.510 102 HG2 ARG 13 2HG ARG 13 -4.045 -0.915 -5.865 103 HG3 ARG 13 1HG ARG 13 -2.852 -2.140 -5.439 104 HD2 ARG 13 2HD ARG 13 -5.660 -2.845 -6.266 105 HD3 ARG 13 1HD ARG 13 -4.379 -2.619 -7.443 106 HE ARG 13 HE ARG 13 -3.208 -4.445 -6.122 107 HH11 ARG 13 1HH1 ARG 13 -6.751 -4.321 -6.467 108 HH12 ARG 13 2HH1 ARG 13 -6.962 -5.996 -6.420 109 HH21 ARG 13 1HH2 ARG 13 -3.502 -6.781 -6.065 110 HH22 ARG 13 2HH2 ARG 13 -5.062 -7.436 -6.188 111 H CYS 14 H CYS 14 -1.968 -4.214 -4.194 112 HA CYS 14 HA CYS 14 -0.440 -3.320 -1.909 113 HB2 CYS 14 2HB CYS 14 0.426 -5.266 -4.057 114 HB3 CYS 14 1HB CYS 14 1.214 -4.971 -2.510 115 H VAL 15 H VAL 15 0.962 -1.833 -1.925 116 HA VAL 15 HA VAL 15 1.435 -0.480 -4.473 117 HB VAL 15 HB VAL 15 0.017 0.825 -3.026 118 HG11 VAL 15 1HG1 VAL 15 0.605 -0.103 -0.860 119 HG12 VAL 15 2HG1 VAL 15 0.742 1.651 -0.821 120 HG13 VAL 15 3HG1 VAL 15 2.195 0.655 -0.937 121 HG21 VAL 15 3HG2 VAL 15 2.803 1.987 -3.101 122 HG22 VAL 15 1HG2 VAL 15 1.326 2.911 -2.832 123 HG23 VAL 15 2HG2 VAL 15 1.585 2.092 -4.370 124 H ABA 16 H ABU 16 3.427 0.213 -4.922 125 HA ABA 16 HA ABU 16 5.567 -1.077 -3.408 126 HB3 ABA 16 1HB ABU 16 5.671 0.227 -6.137 127 HB2 ABA 16 2HB ABU 16 5.423 -1.493 -5.860 128 HG1 ABA 16 1HG ABU 16 7.718 -1.038 -6.467 129 HG3 ABA 16 3HG ABU 16 7.875 0.072 -5.104 130 HG2 ABA 16 2HG ABU 16 7.621 -1.647 -4.813 131 H ARG 17 H ARG 17 6.268 0.138 -1.841 132 HA ARG 17 HA ARG 17 6.594 3.003 -2.267 133 HB2 ARG 17 2HB ARG 17 6.407 1.339 0.240 134 HB3 ARG 17 1HB ARG 17 6.855 3.034 0.225 135 HG2 ARG 17 2HG ARG 17 4.669 3.600 -0.725 136 HG3 ARG 17 1HG ARG 17 4.226 1.890 -0.688 137 HD2 ARG 17 2HD ARG 17 4.358 1.823 1.685 138 HD3 ARG 17 1HD ARG 17 5.094 3.422 1.748 139 HE ARG 17 HE ARG 17 2.487 3.358 0.552 140 HH11 ARG 17 1HH1 ARG 17 4.290 3.722 3.593 141 HH12 ARG 17 2HH1 ARG 17 3.064 4.592 4.378 142 HH21 ARG 17 1HH2 ARG 17 0.846 4.562 1.593 143 HH22 ARG 17 2HH2 ARG 17 1.030 5.119 3.193 144 H ARG 18 H ARG 18 8.513 3.166 -3.196 145 HA ARG 18 HA ARG 18 10.746 3.248 -3.464 146 HB2 ARG 18 2HB ARG 18 10.426 4.417 -1.249 147 HB3 ARG 18 1HB ARG 18 10.808 2.904 -0.459 148 HG2 ARG 18 2HG ARG 18 13.058 2.985 -1.453 149 HG3 ARG 18 1HG ARG 18 12.643 4.529 -2.207 150 HD2 ARG 18 2HD ARG 18 12.247 5.525 -0.031 151 HD3 ARG 18 1HD ARG 18 12.582 3.981 0.748 152 HE ARG 18 HE ARG 18 14.752 4.896 -0.857 153 HH11 ARG 18 1HH1 ARG 18 13.201 5.317 2.304 154 HH12 ARG 18 2HH1 ARG 18 14.651 5.736 3.104 155 HH21 ARG 18 1HH2 ARG 18 16.705 5.470 0.229 156 HH22 ARG 18 2HH2 ARG 18 16.701 5.843 1.885 Start of MODEL 11 1 H1 GLY 1 H GLY 1 10.971 -1.644 -4.266 2 HA2 GLY 1 2HA GLY 1 10.702 -3.863 -4.008 3 HA3 GLY 1 1HA GLY 1 12.072 -3.813 -2.910 4 H VAL 2 H VAL 2 10.036 -1.637 -1.582 5 HA VAL 2 HA VAL 2 8.877 -3.642 0.178 6 HB VAL 2 HB VAL 2 8.971 -0.618 0.482 7 HG11 VAL 2 1HG1 VAL 2 7.125 -1.600 1.717 8 HG12 VAL 2 2HG1 VAL 2 8.377 -1.041 2.828 9 HG13 VAL 2 3HG1 VAL 2 8.220 -2.758 2.470 10 HG21 VAL 2 3HG2 VAL 2 11.216 -1.545 0.559 11 HG22 VAL 2 1HG2 VAL 2 10.709 -2.728 1.767 12 HG23 VAL 2 2HG2 VAL 2 10.724 -1.008 2.162 13 H ABA 3 H ABU 3 6.891 -4.261 -0.247 14 HA ABA 3 HA ABU 3 5.238 -2.670 -2.020 15 HB3 ABA 3 1HB ABU 3 4.798 -5.439 -0.876 16 HB2 ABA 3 2HB ABU 3 5.503 -5.093 -2.448 17 HG1 ABA 3 1HG ABU 3 2.703 -4.411 -1.604 18 HG3 ABA 3 3HG ABU 3 3.417 -4.094 -3.184 19 HG2 ABA 3 2HG ABU 3 3.174 -5.757 -2.640 20 H ARG 4 H ARG 4 4.394 -1.054 -0.897 21 HA ARG 4 HA ARG 4 3.278 -1.521 1.736 22 HB2 ARG 4 2HB ARG 4 4.606 0.534 1.311 23 HB3 ARG 4 1HB ARG 4 3.423 1.037 0.114 24 HG2 ARG 4 2HG ARG 4 1.740 1.323 1.767 25 HG3 ARG 4 1HG ARG 4 2.732 0.531 2.989 26 HD2 ARG 4 2HD ARG 4 2.824 2.870 3.410 27 HD3 ARG 4 1HD ARG 4 4.375 2.383 2.750 28 HE ARG 4 HE ARG 4 2.384 3.517 0.934 29 HH11 ARG 4 1HH1 ARG 4 5.497 3.847 2.609 30 HH12 ARG 4 2HH1 ARG 4 5.926 5.285 1.844 31 HH21 ARG 4 1HH2 ARG 4 2.943 5.515 -0.085 32 HH22 ARG 4 2HH2 ARG 4 4.416 6.301 0.253 33 H CYS 5 H CYS 5 1.328 -2.322 1.860 34 HA CYS 5 HA CYS 5 -0.554 -1.774 -0.295 35 HB2 CYS 5 2HB CYS 5 -0.542 -3.948 1.783 36 HB3 CYS 5 1HB CYS 5 -1.790 -3.716 0.569 37 H VAL 6 H VAL 6 -1.928 -0.358 0.009 38 HA VAL 6 HA VAL 6 -2.776 0.340 2.736 39 HB VAL 6 HB VAL 6 -3.181 1.939 0.254 40 HG11 VAL 6 1HG1 VAL 6 -3.390 3.853 1.806 41 HG12 VAL 6 2HG1 VAL 6 -3.203 2.733 3.154 42 HG13 VAL 6 3HG1 VAL 6 -4.591 2.590 2.075 43 HG21 VAL 6 3HG2 VAL 6 -1.208 3.308 0.816 44 HG22 VAL 6 1HG2 VAL 6 -0.779 1.636 0.458 45 HG23 VAL 6 2HG2 VAL 6 -0.832 2.191 2.131 46 H ABA 7 H ABU 7 -4.711 -0.294 3.182 47 HA ABA 7 HA ABU 7 -6.485 -1.129 1.034 48 HB3 ABA 7 1HB ABU 7 -6.115 -2.952 2.519 49 HB2 ABA 7 2HB ABU 7 -7.732 -2.353 2.861 50 HG1 ABA 7 1HG ABU 7 -6.568 -2.936 4.907 51 HG3 ABA 7 3HG ABU 7 -5.297 -1.778 4.520 52 HG2 ABA 7 2HG ABU 7 -6.936 -1.213 4.847 53 H ARG 8 H ARG 8 -7.541 0.544 0.391 54 HA ARG 8 HA ARG 8 -8.891 2.192 2.406 55 HB2 ARG 8 2HB ARG 8 -7.274 3.428 0.998 56 HB3 ARG 8 1HB ARG 8 -8.140 2.926 -0.439 57 HG2 ARG 8 2HG ARG 8 -8.703 5.212 0.118 58 HG3 ARG 8 1HG ARG 8 -10.120 4.184 0.330 59 HD2 ARG 8 2HD ARG 8 -9.670 4.106 2.757 60 HD3 ARG 8 1HD ARG 8 -8.283 5.174 2.514 61 HE ARG 8 HE ARG 8 -10.458 6.451 1.416 62 HH11 ARG 8 1HH1 ARG 8 -9.555 5.306 4.640 63 HH12 ARG 8 2HH1 ARG 8 -10.486 6.464 5.465 64 HH21 ARG 8 1HH2 ARG 8 -11.693 8.079 2.562 65 HH22 ARG 8 2HH2 ARG 8 -11.697 8.103 4.256 66 H ARG 9 H ARG 9 -10.771 1.142 2.657 67 HA ARG 9 HA ARG 9 -12.867 0.418 2.298 68 HB2 ARG 9 2HB ARG 9 -13.059 2.816 1.589 69 HB3 ARG 9 1HB ARG 9 -12.780 2.307 -0.065 70 HG2 ARG 9 2HG ARG 9 -14.832 0.948 0.039 71 HG3 ARG 9 1HG ARG 9 -15.124 1.570 1.668 72 HD2 ARG 9 2HD ARG 9 -15.270 3.807 0.832 73 HD3 ARG 9 1HD ARG 9 -14.819 3.276 -0.787 74 HE ARG 9 HE ARG 9 -17.220 2.262 0.512 75 HH11 ARG 9 1HH1 ARG 9 -15.702 3.927 -2.234 76 HH12 ARG 9 2HH1 ARG 9 -17.160 4.113 -3.094 77 HH21 ARG 9 1HH2 ARG 9 -19.215 2.482 -0.722 78 HH22 ARG 9 2HH2 ARG 9 -19.167 3.270 -2.231 79 H GLY 10 H GLY 10 -11.211 -1.455 1.513 80 HA2 GLY 10 2HA GLY 10 -11.564 -3.456 0.412 81 HA3 GLY 10 1HA GLY 10 -12.620 -2.563 -0.669 82 H VAL 11 H VAL 11 -10.453 -0.482 -1.052 83 HA VAL 11 HA VAL 11 -9.204 -1.834 -3.265 84 HB VAL 11 HB VAL 11 -8.968 1.045 -2.326 85 HG11 VAL 11 1HG1 VAL 11 -8.054 1.516 -4.566 86 HG12 VAL 11 2HG1 VAL 11 -8.081 -0.216 -4.917 87 HG13 VAL 11 3HG1 VAL 11 -7.033 0.409 -3.646 88 HG21 VAL 11 3HG2 VAL 11 -10.642 -0.145 -4.541 89 HG22 VAL 11 1HG2 VAL 11 -10.480 1.577 -4.192 90 HG23 VAL 11 2HG2 VAL 11 -11.238 0.504 -3.013 91 H ABA 12 H ABU 12 -7.600 -3.128 -2.658 92 HA ABA 12 HA ABU 12 -5.701 -2.262 -0.648 93 HB3 ABA 12 1HB ABU 12 -5.793 -4.849 -2.228 94 HB2 ABA 12 2HB ABU 12 -6.538 -4.617 -0.650 95 HG1 ABA 12 1HG ABU 12 -4.408 -5.797 -0.472 96 HG3 ABA 12 3HG ABU 12 -3.588 -4.430 -1.225 97 HG2 ABA 12 2HG ABU 12 -4.352 -4.237 0.350 98 H ARG 13 H ARG 13 -4.888 -0.562 -1.775 99 HA ARG 13 HA ARG 13 -3.596 -0.933 -4.314 100 HB2 ARG 13 2HB ARG 13 -4.696 1.176 -3.923 101 HB3 ARG 13 1HB ARG 13 -3.777 1.428 -2.452 102 HG2 ARG 13 2HG ARG 13 -1.761 1.782 -3.688 103 HG3 ARG 13 1HG ARG 13 -2.536 1.292 -5.193 104 HD2 ARG 13 2HD ARG 13 -3.344 3.681 -3.534 105 HD3 ARG 13 1HD ARG 13 -2.310 3.754 -4.956 106 HE ARG 13 HE ARG 13 -4.181 2.829 -6.218 107 HH11 ARG 13 1HH1 ARG 13 -4.926 4.489 -3.158 108 HH12 ARG 13 2HH1 ARG 13 -6.481 4.972 -3.632 109 HH21 ARG 13 1HH2 ARG 13 -6.352 3.475 -6.849 110 HH22 ARG 13 2HH2 ARG 13 -7.337 4.346 -5.775 111 H CYS 14 H CYS 14 -1.849 -2.088 -4.268 112 HA CYS 14 HA CYS 14 0.121 -1.671 -2.153 113 HB2 CYS 14 2HB CYS 14 -0.065 -3.820 -4.258 114 HB3 CYS 14 1HB CYS 14 1.179 -3.714 -3.029 115 H VAL 15 H VAL 15 1.678 -0.397 -2.487 116 HA VAL 15 HA VAL 15 2.569 0.159 -5.245 117 HB VAL 15 HB VAL 15 3.076 1.859 -2.815 118 HG11 VAL 15 1HG1 VAL 15 4.625 2.258 -4.599 119 HG12 VAL 15 2HG1 VAL 15 3.543 3.647 -4.456 120 HG13 VAL 15 3HG1 VAL 15 3.307 2.475 -5.750 121 HG21 VAL 15 3HG2 VAL 15 1.282 3.396 -3.591 122 HG22 VAL 15 1HG2 VAL 15 0.668 1.819 -3.094 123 HG23 VAL 15 2HG2 VAL 15 0.827 2.201 -4.805 124 H ABA 16 H ABU 16 4.571 -0.443 -5.664 125 HA ABA 16 HA ABU 16 6.162 -1.488 -3.482 126 HB3 ABA 16 1HB ABU 16 5.921 -3.086 -5.261 127 HB2 ABA 16 2HB ABU 16 7.579 -2.504 -5.297 128 HG1 ABA 16 1HG ABU 16 6.705 -2.733 -7.541 129 HG3 ABA 16 3HG ABU 16 5.389 -1.623 -7.157 130 HG2 ABA 16 2HG ABU 16 7.052 -1.044 -7.171 131 H ARG 17 H ARG 17 7.468 -0.168 -2.563 132 HA ARG 17 HA ARG 17 8.870 1.814 -4.217 133 HB2 ARG 17 2HB ARG 17 7.170 2.785 -2.646 134 HB3 ARG 17 1HB ARG 17 8.082 2.106 -1.306 135 HG2 ARG 17 2HG ARG 17 8.598 4.445 -1.539 136 HG3 ARG 17 1HG ARG 17 10.014 3.483 -1.967 137 HD2 ARG 17 2HD ARG 17 9.709 5.307 -3.554 138 HD3 ARG 17 1HD ARG 17 9.476 3.761 -4.351 139 HE ARG 17 HE ARG 17 7.129 5.187 -3.361 140 HH11 ARG 17 1HH1 ARG 17 9.042 4.164 -6.197 141 HH12 ARG 17 2HH1 ARG 17 7.795 4.541 -7.292 142 HH21 ARG 17 1HH2 ARG 17 5.467 5.641 -4.900 143 HH22 ARG 17 2HH2 ARG 17 5.746 5.364 -6.567 144 H ARG 18 H ARG 18 10.892 1.105 -4.439 145 HA ARG 18 HA ARG 18 12.908 0.158 -4.076 146 HB2 ARG 18 2HB ARG 18 13.150 2.058 -2.484 147 HB3 ARG 18 1HB ARG 18 12.463 1.074 -1.200 148 HG2 ARG 18 2HG ARG 18 14.431 -0.462 -1.450 149 HG3 ARG 18 1HG ARG 18 15.110 0.686 -2.602 150 HD2 ARG 18 2HD ARG 18 15.241 2.387 -0.928 151 HD3 ARG 18 1HD ARG 18 14.350 1.383 0.218 152 HE ARG 18 HE ARG 18 16.774 0.194 -0.759 153 HH11 ARG 18 1HH1 ARG 18 15.459 2.366 1.697 154 HH12 ARG 18 2HH1 ARG 18 16.638 1.988 2.866 155 HH21 ARG 18 1HH2 ARG 18 18.409 -0.321 0.834 156 HH22 ARG 18 2HH2 ARG 18 18.348 0.410 2.364 Start of MODEL 12 1 H1 GLY 1 H GLY 1 10.618 -0.657 -4.422 2 HA2 GLY 1 2HA GLY 1 10.865 -2.935 -4.479 3 HA3 GLY 1 1HA GLY 1 12.242 -2.731 -3.401 4 H VAL 2 H VAL 2 10.299 -0.949 -1.735 5 HA VAL 2 HA VAL 2 9.417 -3.133 -0.064 6 HB VAL 2 HB VAL 2 9.131 -0.138 0.374 7 HG11 VAL 2 1HG1 VAL 2 7.526 -1.450 1.677 8 HG12 VAL 2 2HG1 VAL 2 8.737 -0.704 2.722 9 HG13 VAL 2 3HG1 VAL 2 8.844 -2.420 2.336 10 HG21 VAL 2 3HG2 VAL 2 11.482 -0.768 0.248 11 HG22 VAL 2 1HG2 VAL 2 11.224 -2.048 1.433 12 HG23 VAL 2 2HG2 VAL 2 11.046 -0.360 1.906 13 H ABA 3 H ABU 3 7.600 -4.064 -0.549 14 HA ABA 3 HA ABU 3 5.484 -2.533 -1.848 15 HB3 ABA 3 1HB ABU 3 5.867 -5.525 -1.572 16 HB2 ABA 3 2HB ABU 3 6.283 -4.578 -2.992 17 HG1 ABA 3 1HG ABU 3 3.517 -4.962 -1.885 18 HG3 ABA 3 3HG ABU 3 3.935 -4.005 -3.309 19 HG2 ABA 3 2HG ABU 3 4.195 -5.753 -3.309 20 H ARG 4 H ARG 4 3.950 -1.832 -0.595 21 HA ARG 4 HA ARG 4 3.211 -3.399 1.781 22 HB2 ARG 4 2HB ARG 4 4.403 -1.343 2.411 23 HB3 ARG 4 1HB ARG 4 3.263 -0.387 1.483 24 HG2 ARG 4 2HG ARG 4 1.487 -0.915 3.011 25 HG3 ARG 4 1HG ARG 4 2.515 -2.067 3.870 26 HD2 ARG 4 2HD ARG 4 3.017 0.899 3.646 27 HD3 ARG 4 1HD ARG 4 2.348 0.081 5.063 28 HE ARG 4 HE ARG 4 4.696 -1.209 4.465 29 HH11 ARG 4 1HH1 ARG 4 3.850 2.092 5.394 30 HH12 ARG 4 2HH1 ARG 4 5.310 2.388 6.222 31 HH21 ARG 4 1HH2 ARG 4 6.681 -0.824 5.558 32 HH22 ARG 4 2HH2 ARG 4 6.985 0.663 6.323 33 H CYS 5 H CYS 5 1.057 -3.811 2.031 34 HA CYS 5 HA CYS 5 -0.636 -2.934 -0.179 35 HB2 CYS 5 2HB CYS 5 -0.987 -5.253 1.704 36 HB3 CYS 5 1HB CYS 5 -1.999 -4.884 0.310 37 H VAL 6 H VAL 6 -2.008 -1.494 0.085 38 HA VAL 6 HA VAL 6 -2.914 -0.868 2.808 39 HB VAL 6 HB VAL 6 -2.747 1.008 0.448 40 HG11 VAL 6 1HG1 VAL 6 -3.270 1.589 3.357 41 HG12 VAL 6 2HG1 VAL 6 -4.440 1.666 2.045 42 HG13 VAL 6 3HG1 VAL 6 -3.086 2.804 2.092 43 HG21 VAL 6 3HG2 VAL 6 -0.815 2.062 1.561 44 HG22 VAL 6 1HG2 VAL 6 -0.487 0.390 1.108 45 HG23 VAL 6 2HG2 VAL 6 -0.847 0.793 2.786 46 H ABA 7 H ABU 7 -5.007 -0.801 3.129 47 HA ABA 7 HA ABU 7 -6.812 -1.483 0.939 48 HB3 ABA 7 1HB ABU 7 -8.440 -1.976 2.734 49 HB2 ABA 7 2HB ABU 7 -7.272 -1.442 3.934 50 HG1 ABA 7 1HG ABU 7 -5.788 -3.276 3.324 51 HG3 ABA 7 3HG ABU 7 -7.369 -3.863 3.834 52 HG2 ABA 7 2HG ABU 7 -6.955 -3.823 2.120 53 H ARG 8 H ARG 8 -6.972 0.443 -0.049 54 HA ARG 8 HA ARG 8 -7.790 2.740 1.547 55 HB2 ARG 8 2HB ARG 8 -5.880 3.218 0.181 56 HB3 ARG 8 1HB ARG 8 -6.657 2.539 -1.241 57 HG2 ARG 8 2HG ARG 8 -8.246 4.349 -1.297 58 HG3 ARG 8 1HG ARG 8 -7.608 5.000 0.210 59 HD2 ARG 8 2HD ARG 8 -5.976 4.668 -2.296 60 HD3 ARG 8 1HD ARG 8 -6.826 6.153 -1.879 61 HE ARG 8 HE ARG 8 -5.436 5.871 0.295 62 HH11 ARG 8 1HH1 ARG 8 -4.274 5.106 -2.958 63 HH12 ARG 8 2HH1 ARG 8 -2.698 5.666 -2.700 64 HH21 ARG 8 1HH2 ARG 8 -3.239 6.707 0.654 65 HH22 ARG 8 2HH2 ARG 8 -2.100 6.577 -0.624 66 H ARG 9 H ARG 9 -9.827 2.782 1.805 67 HA ARG 9 HA ARG 9 -12.047 2.973 1.466 68 HB2 ARG 9 2HB ARG 9 -11.086 4.668 -0.226 69 HB3 ARG 9 1HB ARG 9 -11.421 3.463 -1.454 70 HG2 ARG 9 2HG ARG 9 -13.795 3.548 -0.879 71 HG3 ARG 9 1HG ARG 9 -13.447 4.770 0.347 72 HD2 ARG 9 2HD ARG 9 -13.041 5.024 -2.630 73 HD3 ARG 9 1HD ARG 9 -14.250 5.849 -1.647 74 HE ARG 9 HE ARG 9 -11.510 6.325 -0.871 75 HH11 ARG 9 1HH1 ARG 9 -14.248 7.520 -2.773 76 HH12 ARG 9 2HH1 ARG 9 -13.584 9.070 -2.999 77 HH21 ARG 9 1HH2 ARG 9 -10.625 8.408 -1.151 78 HH22 ARG 9 2HH2 ARG 9 -11.424 9.600 -2.074 79 H GLY 10 H GLY 10 -11.013 0.492 1.531 80 HA2 GLY 10 2HA GLY 10 -11.907 -1.597 1.371 81 HA3 GLY 10 1HA GLY 10 -12.954 -0.962 0.105 82 H VAL 11 H VAL 11 -10.348 0.130 -1.142 83 HA VAL 11 HA VAL 11 -9.936 -2.219 -2.799 84 HB VAL 11 HB VAL 11 -8.890 0.598 -3.202 85 HG11 VAL 11 1HG1 VAL 11 -8.579 -0.049 -5.515 86 HG12 VAL 11 2HG1 VAL 11 -9.254 -1.640 -5.175 87 HG13 VAL 11 3HG1 VAL 11 -7.724 -1.171 -4.452 88 HG21 VAL 11 3HG2 VAL 11 -10.745 0.941 -4.761 89 HG22 VAL 11 1HG2 VAL 11 -11.330 0.635 -3.127 90 HG23 VAL 11 2HG2 VAL 11 -11.392 -0.645 -4.344 91 H ABA 12 H ABU 12 -8.359 -3.523 -2.179 92 HA ABA 12 HA ABU 12 -6.107 -2.515 -0.647 93 HB3 ABA 12 1HB ABU 12 -6.828 -5.348 -1.467 94 HB2 ABA 12 2HB ABU 12 -7.202 -4.599 0.077 95 HG1 ABA 12 1HG ABU 12 -4.440 -5.193 -0.963 96 HG3 ABA 12 3HG ABU 12 -4.821 -4.421 0.578 97 HG2 ABA 12 2HG ABU 12 -5.312 -6.088 0.285 98 H ARG 13 H ARG 13 -4.578 -1.602 -1.768 99 HA ARG 13 HA ARG 13 -3.599 -2.960 -4.183 100 HB2 ARG 13 2HB ARG 13 -3.656 0.023 -3.654 101 HB3 ARG 13 1HB ARG 13 -2.839 -0.737 -5.009 102 HG2 ARG 13 2HG ARG 13 -5.799 -0.781 -4.480 103 HG3 ARG 13 1HG ARG 13 -4.968 0.215 -5.675 104 HD2 ARG 13 2HD ARG 13 -4.204 -1.791 -6.831 105 HD3 ARG 13 1HD ARG 13 -5.014 -2.807 -5.644 106 HE ARG 13 HE ARG 13 -6.767 -0.951 -6.914 107 HH11 ARG 13 1HH1 ARG 13 -5.186 -4.085 -7.420 108 HH12 ARG 13 2HH1 ARG 13 -6.455 -4.717 -8.369 109 HH21 ARG 13 1HH2 ARG 13 -8.484 -1.849 -8.240 110 HH22 ARG 13 2HH2 ARG 13 -8.331 -3.459 -8.830 111 H CYS 14 H CYS 14 -1.456 -3.252 -4.331 112 HA CYS 14 HA CYS 14 0.053 -2.559 -1.930 113 HB2 CYS 14 2HB CYS 14 0.724 -4.613 -4.029 114 HB3 CYS 14 1HB CYS 14 1.493 -4.384 -2.458 115 H VAL 15 H VAL 15 1.354 -1.017 -1.967 116 HA VAL 15 HA VAL 15 2.222 -0.021 -4.567 117 HB VAL 15 HB VAL 15 0.977 1.604 -3.290 118 HG11 VAL 15 1HG1 VAL 15 3.040 1.272 -1.107 119 HG12 VAL 15 2HG1 VAL 15 1.336 0.820 -1.018 120 HG13 VAL 15 3HG1 VAL 15 1.793 2.518 -1.141 121 HG21 VAL 15 3HG2 VAL 15 3.910 2.298 -3.357 122 HG22 VAL 15 1HG2 VAL 15 2.596 3.468 -3.212 123 HG23 VAL 15 2HG2 VAL 15 2.750 2.484 -4.671 124 H ABA 16 H ABU 16 4.273 0.252 -5.005 125 HA ABA 16 HA ABU 16 6.155 -0.985 -3.162 126 HB3 ABA 16 1HB ABU 16 5.986 -2.316 -5.144 127 HB2 ABA 16 2HB ABU 16 7.515 -1.444 -5.220 128 HG1 ABA 16 1HG ABU 16 6.526 0.169 -6.756 129 HG3 ABA 16 3HG ABU 16 6.436 -1.472 -7.394 130 HG2 ABA 16 2HG ABU 16 5.003 -0.718 -6.702 131 H ARG 17 H ARG 17 7.599 0.238 -2.325 132 HA ARG 17 HA ARG 17 8.438 2.666 -3.732 133 HB2 ARG 17 2HB ARG 17 8.032 2.315 -0.758 134 HB3 ARG 17 1HB ARG 17 8.762 3.723 -1.511 135 HG2 ARG 17 2HG ARG 17 6.646 4.131 -2.711 136 HG3 ARG 17 1HG ARG 17 5.924 2.781 -1.832 137 HD2 ARG 17 2HD ARG 17 5.382 4.910 -0.776 138 HD3 ARG 17 1HD ARG 17 6.389 3.922 0.282 139 HE ARG 17 HE ARG 17 8.083 5.531 -1.204 140 HH11 ARG 17 1HH1 ARG 17 5.602 6.000 1.249 141 HH12 ARG 17 2HH1 ARG 17 6.270 7.421 1.889 142 HH21 ARG 17 1HH2 ARG 17 9.025 7.435 -0.370 143 HH22 ARG 17 2HH2 ARG 17 8.302 8.292 0.922 144 H ARG 18 H ARG 18 10.306 1.998 -4.504 145 HA ARG 18 HA ARG 18 12.432 1.275 -4.661 146 HB2 ARG 18 2HB ARG 18 12.813 3.145 -3.041 147 HB3 ARG 18 1HB ARG 18 12.576 2.031 -1.712 148 HG2 ARG 18 2HG ARG 18 14.943 2.518 -2.053 149 HG3 ARG 18 1HG ARG 18 14.593 0.817 -2.348 150 HD2 ARG 18 2HD ARG 18 14.567 1.243 -4.764 151 HD3 ARG 18 1HD ARG 18 14.921 2.945 -4.460 152 HE ARG 18 HE ARG 18 16.856 1.419 -3.187 153 HH11 ARG 18 1HH1 ARG 18 15.850 2.075 -6.518 154 HH12 ARG 18 2HH1 ARG 18 17.410 1.915 -7.157 155 HH21 ARG 18 1HH2 ARG 18 19.020 1.189 -4.103 156 HH22 ARG 18 2HH2 ARG 18 19.239 1.362 -5.782 Start of MODEL 13 1 H1 GLY 1 H GLY 1 11.099 -0.595 -3.830 2 HA2 GLY 1 2HA GLY 1 11.727 -2.757 -3.934 3 HA3 GLY 1 1HA GLY 1 12.743 -2.458 -2.531 4 H VAL 2 H VAL 2 10.085 -1.398 -1.243 5 HA VAL 2 HA VAL 2 9.326 -4.055 -0.276 6 HB VAL 2 HB VAL 2 8.824 -1.335 0.936 7 HG11 VAL 2 1HG1 VAL 2 7.170 -2.972 1.648 8 HG12 VAL 2 2HG1 VAL 2 8.242 -2.566 2.988 9 HG13 VAL 2 3HG1 VAL 2 8.452 -4.089 2.122 10 HG21 VAL 2 3HG2 VAL 2 10.916 -3.391 1.659 11 HG22 VAL 2 1HG2 VAL 2 10.570 -1.930 2.587 12 HG23 VAL 2 2HG2 VAL 2 11.203 -1.805 0.946 13 H ABA 3 H ABU 3 7.393 -4.814 -0.910 14 HA ABA 3 HA ABU 3 5.585 -3.158 -2.351 15 HB3 ABA 3 1HB ABU 3 5.175 -5.950 -1.231 16 HB2 ABA 3 2HB ABU 3 5.812 -5.586 -2.831 17 HG1 ABA 3 1HG ABU 3 3.486 -6.218 -2.969 18 HG3 ABA 3 3HG ABU 3 3.053 -4.932 -1.843 19 HG2 ABA 3 2HG ABU 3 3.693 -4.531 -3.437 20 H ARG 4 H ARG 4 4.494 -1.680 -1.374 21 HA ARG 4 HA ARG 4 3.640 -2.031 1.393 22 HB2 ARG 4 2HB ARG 4 5.070 -0.083 0.876 23 HB3 ARG 4 1HB ARG 4 3.908 0.449 -0.327 24 HG2 ARG 4 2HG ARG 4 2.266 0.870 1.403 25 HG3 ARG 4 1HG ARG 4 3.361 0.213 2.623 26 HD2 ARG 4 2HD ARG 4 3.889 2.675 0.947 27 HD3 ARG 4 1HD ARG 4 3.350 2.668 2.624 28 HE ARG 4 HE ARG 4 5.880 1.350 1.932 29 HH11 ARG 4 1HH1 ARG 4 4.258 4.095 3.469 30 HH12 ARG 4 2HH1 ARG 4 5.593 4.531 4.414 31 HH21 ARG 4 1HH2 ARG 4 7.748 2.003 3.223 32 HH22 ARG 4 2HH2 ARG 4 7.588 3.312 4.291 33 H CYS 5 H CYS 5 1.647 -2.788 1.526 34 HA CYS 5 HA CYS 5 -0.282 -2.121 -0.557 35 HB2 CYS 5 2HB CYS 5 -0.372 -4.320 1.520 36 HB3 CYS 5 1HB CYS 5 -1.550 -4.059 0.243 37 H VAL 6 H VAL 6 -1.838 -0.816 -0.152 38 HA VAL 6 HA VAL 6 -2.480 -0.103 2.632 39 HB VAL 6 HB VAL 6 -2.677 1.673 0.194 40 HG11 VAL 6 1HG1 VAL 6 -4.211 2.304 1.947 41 HG12 VAL 6 2HG1 VAL 6 -2.926 3.509 1.815 42 HG13 VAL 6 3HG1 VAL 6 -2.893 2.328 3.123 43 HG21 VAL 6 3HG2 VAL 6 -0.509 1.677 2.294 44 HG22 VAL 6 1HG2 VAL 6 -0.704 2.868 1.008 45 HG23 VAL 6 2HG2 VAL 6 -0.332 1.194 0.605 46 H ABA 7 H ABU 7 -4.631 -0.123 3.080 47 HA ABA 7 HA ABU 7 -6.426 -0.838 0.875 48 HB3 ABA 7 1HB ABU 7 -6.741 -1.425 3.823 49 HB2 ABA 7 2HB ABU 7 -6.197 -2.593 2.619 50 HG1 ABA 7 1HG ABU 7 -8.530 -2.919 3.186 51 HG3 ABA 7 3HG ABU 7 -8.893 -1.266 2.701 52 HG2 ABA 7 2HG ABU 7 -8.355 -2.435 1.496 53 H ARG 8 H ARG 8 -7.679 0.723 0.293 54 HA ARG 8 HA ARG 8 -8.687 2.521 2.348 55 HB2 ARG 8 2HB ARG 8 -6.886 3.651 1.067 56 HB3 ARG 8 1HB ARG 8 -7.789 3.366 -0.415 57 HG2 ARG 8 2HG ARG 8 -8.095 5.652 0.344 58 HG3 ARG 8 1HG ARG 8 -9.614 4.758 0.440 59 HD2 ARG 8 2HD ARG 8 -9.297 6.148 2.403 60 HD3 ARG 8 1HD ARG 8 -9.280 4.447 2.849 61 HE ARG 8 HE ARG 8 -6.677 5.615 2.382 62 HH11 ARG 8 1HH1 ARG 8 -9.145 4.897 4.834 63 HH12 ARG 8 2HH1 ARG 8 -8.087 5.060 6.142 64 HH21 ARG 8 1HH2 ARG 8 -5.250 5.858 4.195 65 HH22 ARG 8 2HH2 ARG 8 -5.801 5.624 5.791 66 H ARG 9 H ARG 9 -10.738 2.191 2.477 67 HA ARG 9 HA ARG 9 -12.869 1.799 2.077 68 HB2 ARG 9 2HB ARG 9 -12.525 4.001 0.838 69 HB3 ARG 9 1HB ARG 9 -12.433 3.065 -0.641 70 HG2 ARG 9 2HG ARG 9 -14.655 4.056 -0.312 71 HG3 ARG 9 1HG ARG 9 -14.727 2.293 -0.320 72 HD2 ARG 9 2HD ARG 9 -14.854 2.223 2.064 73 HD3 ARG 9 1HD ARG 9 -14.582 3.963 2.189 74 HE ARG 9 HE ARG 9 -16.846 3.510 0.648 75 HH11 ARG 9 1HH1 ARG 9 -15.815 2.939 3.992 76 HH12 ARG 9 2HH1 ARG 9 -17.353 3.156 4.667 77 HH21 ARG 9 1HH2 ARG 9 -18.954 3.842 1.573 78 HH22 ARG 9 2HH2 ARG 9 -19.198 3.695 3.258 79 H GLY 10 H GLY 10 -11.504 -0.409 1.802 80 HA2 GLY 10 2HA GLY 10 -11.899 -2.529 1.141 81 HA3 GLY 10 1HA GLY 10 -13.105 -1.867 0.045 82 H VAL 11 H VAL 11 -10.383 -0.191 -0.689 83 HA VAL 11 HA VAL 11 -9.674 -2.106 -2.781 84 HB VAL 11 HB VAL 11 -9.064 0.867 -2.633 85 HG11 VAL 11 1HG1 VAL 11 -8.697 -1.089 -4.905 86 HG12 VAL 11 2HG1 VAL 11 -7.409 -0.361 -3.946 87 HG13 VAL 11 3HG1 VAL 11 -8.409 0.651 -4.988 88 HG21 VAL 11 3HG2 VAL 11 -10.750 1.112 -4.405 89 HG22 VAL 11 1HG2 VAL 11 -11.444 0.488 -2.910 90 HG23 VAL 11 2HG2 VAL 11 -11.134 -0.604 -4.261 91 H ABA 12 H ABU 12 -8.056 -3.350 -2.102 92 HA ABA 12 HA ABU 12 -5.922 -2.216 -0.484 93 HB3 ABA 12 1HB ABU 12 -6.369 -5.066 -1.417 94 HB2 ABA 12 2HB ABU 12 -6.892 -4.432 0.139 95 HG1 ABA 12 1HG ABU 12 -4.849 -5.726 0.360 96 HG3 ABA 12 3HG ABU 12 -4.037 -4.675 -0.802 97 HG2 ABA 12 2HG ABU 12 -4.557 -4.033 0.759 98 H ARG 13 H ARG 13 -4.554 -1.126 -1.646 99 HA ARG 13 HA ARG 13 -3.782 -2.129 -4.292 100 HB2 ARG 13 2HB ARG 13 -2.971 0.162 -4.741 101 HB3 ARG 13 1HB ARG 13 -4.681 0.105 -4.360 102 HG2 ARG 13 2HG ARG 13 -4.214 0.883 -2.090 103 HG3 ARG 13 1HG ARG 13 -2.488 0.933 -2.464 104 HD2 ARG 13 2HD ARG 13 -3.529 3.145 -2.598 105 HD3 ARG 13 1HD ARG 13 -2.896 2.631 -4.158 106 HE ARG 13 HE ARG 13 -5.281 1.899 -4.577 107 HH11 ARG 13 1HH1 ARG 13 -4.442 4.756 -2.641 108 HH12 ARG 13 2HH1 ARG 13 -5.897 5.550 -2.984 109 HH21 ARG 13 1HH2 ARG 13 -7.280 3.023 -5.005 110 HH22 ARG 13 2HH2 ARG 13 -7.546 4.550 -4.303 111 H CYS 14 H CYS 14 -1.793 -2.839 -4.617 112 HA CYS 14 HA CYS 14 0.151 -2.404 -2.487 113 HB2 CYS 14 2HB CYS 14 -0.066 -4.631 -4.504 114 HB3 CYS 14 1HB CYS 14 1.275 -4.439 -3.380 115 H VAL 15 H VAL 15 1.740 -1.155 -2.888 116 HA VAL 15 HA VAL 15 2.538 -0.658 -5.682 117 HB VAL 15 HB VAL 15 2.595 1.346 -3.408 118 HG11 VAL 15 1HG1 VAL 15 4.303 1.763 -5.071 119 HG12 VAL 15 2HG1 VAL 15 3.070 3.020 -5.123 120 HG13 VAL 15 3HG1 VAL 15 3.087 1.756 -6.352 121 HG21 VAL 15 3HG2 VAL 15 0.274 0.911 -4.003 122 HG22 VAL 15 1HG2 VAL 15 0.635 1.204 -5.703 123 HG23 VAL 15 2HG2 VAL 15 0.741 2.525 -4.539 124 H ABA 16 H ABU 16 4.713 -0.632 -6.030 125 HA ABA 16 HA ABU 16 6.380 -1.748 -3.958 126 HB3 ABA 16 1HB ABU 16 7.051 -0.849 -6.778 127 HB2 ABA 16 2HB ABU 16 6.661 -2.492 -6.289 128 HG1 ABA 16 1HG ABU 16 9.055 -2.172 -6.602 129 HG3 ABA 16 3HG ABU 16 9.053 -0.932 -5.351 130 HG2 ABA 16 2HG ABU 16 8.668 -2.597 -4.932 131 H ARG 17 H ARG 17 7.177 -0.469 -2.473 132 HA ARG 17 HA ARG 17 7.857 2.283 -3.189 133 HB2 ARG 17 2HB ARG 17 5.887 1.926 -1.619 134 HB3 ARG 17 1HB ARG 17 7.021 1.218 -0.486 135 HG2 ARG 17 2HG ARG 17 6.641 3.475 0.170 136 HG3 ARG 17 1HG ARG 17 8.271 3.380 -0.503 137 HD2 ARG 17 2HD ARG 17 7.119 5.368 -1.323 138 HD3 ARG 17 1HD ARG 17 7.429 4.244 -2.643 139 HE ARG 17 HE ARG 17 4.872 3.734 -1.594 140 HH11 ARG 17 1HH1 ARG 17 6.549 6.118 -3.585 141 HH12 ARG 17 2HH1 ARG 17 5.146 6.770 -4.273 142 HH21 ARG 17 1HH2 ARG 17 2.930 4.564 -2.543 143 HH22 ARG 17 2HH2 ARG 17 2.975 5.843 -3.654 144 H ARG 18 H ARG 18 9.996 2.022 -3.562 145 HA ARG 18 HA ARG 18 12.181 1.656 -3.259 146 HB2 ARG 18 2HB ARG 18 11.737 3.337 -1.483 147 HB3 ARG 18 1HB ARG 18 11.457 2.038 -0.343 148 HG2 ARG 18 2HG ARG 18 13.665 3.073 -0.066 149 HG3 ARG 18 1HG ARG 18 13.774 1.366 -0.493 150 HD2 ARG 18 2HD ARG 18 15.408 2.737 -1.697 151 HD3 ARG 18 1HD ARG 18 14.282 1.927 -2.778 152 HE ARG 18 HE ARG 18 13.267 4.461 -2.228 153 HH11 ARG 18 1HH1 ARG 18 16.092 3.094 -3.810 154 HH12 ARG 18 2HH1 ARG 18 16.257 4.352 -4.950 155 HH21 ARG 18 1HH2 ARG 18 13.428 6.134 -3.824 156 HH22 ARG 18 2HH2 ARG 18 14.665 6.103 -4.989 Start of MODEL 14 1 H1 GLY 1 H GLY 1 11.092 -1.204 -4.454 2 HA2 GLY 1 2HA GLY 1 10.929 -3.412 -4.037 3 HA3 GLY 1 1HA GLY 1 12.306 -3.235 -2.964 4 H VAL 2 H VAL 2 10.357 -0.980 -1.774 5 HA VAL 2 HA VAL 2 9.363 -2.744 0.274 6 HB VAL 2 HB VAL 2 9.171 0.284 0.082 7 HG11 VAL 2 1HG1 VAL 2 7.487 -0.652 1.568 8 HG12 VAL 2 2HG1 VAL 2 8.718 0.203 2.499 9 HG13 VAL 2 3HG1 VAL 2 8.730 -1.559 2.430 10 HG21 VAL 2 3HG2 VAL 2 11.158 -1.420 1.594 11 HG22 VAL 2 1HG2 VAL 2 11.035 0.334 1.689 12 HG23 VAL 2 2HG2 VAL 2 11.507 -0.438 0.174 13 H ABA 3 H ABU 3 7.513 -3.684 -0.113 14 HA ABA 3 HA ABU 3 5.475 -2.282 -1.689 15 HB3 ABA 3 1HB ABU 3 5.757 -5.247 -1.151 16 HB2 ABA 3 2HB ABU 3 6.226 -4.428 -2.637 17 HG1 ABA 3 1HG ABU 3 3.895 -3.797 -3.031 18 HG3 ABA 3 3HG ABU 3 4.089 -5.543 -2.913 19 HG2 ABA 3 2HG ABU 3 3.422 -4.643 -1.555 20 H ARG 4 H ARG 4 4.031 -1.388 -0.544 21 HA ARG 4 HA ARG 4 3.220 -2.612 1.999 22 HB2 ARG 4 2HB ARG 4 4.256 -0.439 2.315 23 HB3 ARG 4 1HB ARG 4 3.174 0.280 1.134 24 HG2 ARG 4 2HG ARG 4 1.278 -0.089 2.595 25 HG3 ARG 4 1HG ARG 4 2.316 -0.930 3.749 26 HD2 ARG 4 2HD ARG 4 1.895 1.370 4.455 27 HD3 ARG 4 1HD ARG 4 3.599 1.087 4.104 28 HE ARG 4 HE ARG 4 1.903 2.283 2.046 29 HH11 ARG 4 1HH1 ARG 4 4.593 2.632 4.351 30 HH12 ARG 4 2HH1 ARG 4 5.097 4.128 3.714 31 HH21 ARG 4 1HH2 ARG 4 2.599 4.324 1.221 32 HH22 ARG 4 2HH2 ARG 4 3.948 5.118 1.887 33 H CYS 5 H CYS 5 1.311 -3.559 1.909 34 HA CYS 5 HA CYS 5 -0.631 -2.655 -0.066 35 HB2 CYS 5 2HB CYS 5 -0.555 -5.164 1.619 36 HB3 CYS 5 1HB CYS 5 -1.809 -4.755 0.458 37 H VAL 6 H VAL 6 -2.222 -1.456 0.513 38 HA VAL 6 HA VAL 6 -3.291 -1.692 3.193 39 HB VAL 6 HB VAL 6 -1.847 0.160 3.313 40 HG11 VAL 6 1HG1 VAL 6 -3.236 1.319 0.891 41 HG12 VAL 6 2HG1 VAL 6 -1.563 0.765 0.991 42 HG13 VAL 6 3HG1 VAL 6 -2.073 2.197 1.889 43 HG21 VAL 6 3HG2 VAL 6 -4.698 1.111 3.113 44 HG22 VAL 6 1HG2 VAL 6 -3.400 2.023 3.885 45 HG23 VAL 6 2HG2 VAL 6 -3.884 0.458 4.533 46 H ABA 7 H ABU 7 -5.392 -1.638 3.267 47 HA ABA 7 HA ABU 7 -6.770 -1.594 0.717 48 HB3 ABA 7 1HB ABU 7 -7.329 -3.533 1.981 49 HB2 ABA 7 2HB ABU 7 -8.742 -2.492 2.027 50 HG1 ABA 7 1HG ABU 7 -8.136 -1.749 4.268 51 HG3 ABA 7 3HG ABU 7 -8.377 -3.492 4.170 52 HG2 ABA 7 2HG ABU 7 -6.743 -2.834 4.239 53 H ARG 8 H ARG 8 -7.073 0.318 0.059 54 HA ARG 8 HA ARG 8 -7.998 2.400 1.879 55 HB2 ARG 8 2HB ARG 8 -7.098 2.624 -0.995 56 HB3 ARG 8 1HB ARG 8 -7.409 3.951 0.109 57 HG2 ARG 8 2HG ARG 8 -5.538 3.119 1.532 58 HG3 ARG 8 1HG ARG 8 -5.189 1.938 0.268 59 HD2 ARG 8 2HD ARG 8 -3.760 3.888 0.034 60 HD3 ARG 8 1HD ARG 8 -4.867 3.772 -1.336 61 HE ARG 8 HE ARG 8 -6.032 5.332 0.655 62 HH11 ARG 8 1HH1 ARG 8 -3.354 5.583 -1.691 63 HH12 ARG 8 2HH1 ARG 8 -3.431 7.278 -1.778 64 HH21 ARG 8 1HH2 ARG 8 -6.137 7.656 0.475 65 HH22 ARG 8 2HH2 ARG 8 -5.034 8.491 -0.512 66 H ARG 9 H ARG 9 -10.087 2.383 2.085 67 HA ARG 9 HA ARG 9 -12.294 2.365 1.715 68 HB2 ARG 9 2HB ARG 9 -11.619 4.462 0.477 69 HB3 ARG 9 1HB ARG 9 -11.576 3.520 -1.003 70 HG2 ARG 9 2HG ARG 9 -13.641 4.821 -0.836 71 HG3 ARG 9 1HG ARG 9 -13.983 3.089 -0.791 72 HD2 ARG 9 2HD ARG 9 -14.137 3.199 1.651 73 HD3 ARG 9 1HD ARG 9 -13.814 4.931 1.584 74 HE ARG 9 HE ARG 9 -15.936 4.857 0.095 75 HH11 ARG 9 1HH1 ARG 9 -15.349 2.991 3.056 76 HH12 ARG 9 2HH1 ARG 9 -16.976 2.937 3.515 77 HH21 ARG 9 1HH2 ARG 9 -18.186 4.764 0.732 78 HH22 ARG 9 2HH2 ARG 9 -18.636 3.972 2.170 79 H GLY 10 H GLY 10 -11.307 -0.057 1.468 80 HA2 GLY 10 2HA GLY 10 -12.162 -2.075 0.886 81 HA3 GLY 10 1HA GLY 10 -13.094 -1.244 -0.350 82 H VAL 11 H VAL 11 -10.427 0.001 -1.296 83 HA VAL 11 HA VAL 11 -9.840 -2.224 -3.093 84 HB VAL 11 HB VAL 11 -8.999 0.682 -3.274 85 HG11 VAL 11 1HG1 VAL 11 -8.816 -1.537 -5.314 86 HG12 VAL 11 2HG1 VAL 11 -7.467 -0.770 -4.473 87 HG13 VAL 11 3HG1 VAL 11 -8.434 0.159 -5.616 88 HG21 VAL 11 3HG2 VAL 11 -10.710 0.882 -5.040 89 HG22 VAL 11 1HG2 VAL 11 -11.417 0.462 -3.480 90 HG23 VAL 11 2HG2 VAL 11 -11.216 -0.776 -4.718 91 H ABA 12 H ABU 12 -8.102 -3.424 -2.759 92 HA ABA 12 HA ABU 12 -6.166 -2.643 -0.787 93 HB3 ABA 12 1HB ABU 12 -6.239 -5.082 -2.580 94 HB2 ABA 12 2HB ABU 12 -6.921 -4.991 -0.958 95 HG1 ABA 12 1HG ABU 12 -4.701 -4.618 -0.033 96 HG3 ABA 12 3HG ABU 12 -4.772 -6.127 -0.943 97 HG2 ABA 12 2HG ABU 12 -4.008 -4.704 -1.652 98 H ARG 13 H ARG 13 -4.665 -1.281 -1.269 99 HA ARG 13 HA ARG 13 -3.596 -1.241 -3.986 100 HB2 ARG 13 2HB ARG 13 -4.656 0.838 -3.156 101 HB3 ARG 13 1HB ARG 13 -3.486 0.888 -1.847 102 HG2 ARG 13 2HG ARG 13 -2.855 2.425 -3.608 103 HG3 ARG 13 1HG ARG 13 -1.672 1.121 -3.489 104 HD2 ARG 13 2HD ARG 13 -2.247 1.668 -5.828 105 HD3 ARG 13 1HD ARG 13 -2.659 0.005 -5.409 106 HE ARG 13 HE ARG 13 -4.786 1.891 -5.043 107 HH11 ARG 13 1HH1 ARG 13 -3.271 -0.256 -7.430 108 HH12 ARG 13 2HH1 ARG 13 -4.694 -0.426 -8.355 109 HH21 ARG 13 1HH2 ARG 13 -6.716 1.635 -6.325 110 HH22 ARG 13 2HH2 ARG 13 -6.685 0.645 -7.710 111 H CYS 14 H CYS 14 -1.703 -2.257 -4.137 112 HA CYS 14 HA CYS 14 0.110 -2.176 -1.849 113 HB2 CYS 14 2HB CYS 14 0.176 -3.994 -4.253 114 HB3 CYS 14 1HB CYS 14 1.269 -3.997 -2.869 115 H VAL 15 H VAL 15 1.449 -0.654 -1.997 116 HA VAL 15 HA VAL 15 2.321 0.270 -4.652 117 HB VAL 15 HB VAL 15 2.772 1.650 -2.017 118 HG11 VAL 15 1HG1 VAL 15 4.342 2.337 -3.713 119 HG12 VAL 15 2HG1 VAL 15 3.217 3.658 -3.388 120 HG13 VAL 15 3HG1 VAL 15 3.026 2.674 -4.839 121 HG21 VAL 15 3HG2 VAL 15 0.581 2.195 -4.023 122 HG22 VAL 15 1HG2 VAL 15 0.942 3.201 -2.620 123 HG23 VAL 15 2HG2 VAL 15 0.370 1.548 -2.396 124 H ABA 16 H ABU 16 4.265 -0.157 -5.226 125 HA ABA 16 HA ABU 16 6.164 -1.150 -3.215 126 HB3 ABA 16 1HB ABU 16 5.991 -1.962 -6.124 127 HB2 ABA 16 2HB ABU 16 5.398 -2.919 -4.775 128 HG1 ABA 16 1HG ABU 16 7.533 -3.748 -5.534 129 HG3 ABA 16 3HG ABU 16 8.264 -2.164 -5.281 130 HG2 ABA 16 2HG ABU 16 7.681 -3.097 -3.901 131 H ARG 17 H ARG 17 7.641 0.245 -2.842 132 HA ARG 17 HA ARG 17 8.888 1.665 -5.067 133 HB2 ARG 17 2HB ARG 17 7.324 3.237 -4.064 134 HB3 ARG 17 1HB ARG 17 7.967 2.897 -2.469 135 HG2 ARG 17 2HG ARG 17 10.033 3.968 -2.991 136 HG3 ARG 17 1HG ARG 17 9.577 4.137 -4.688 137 HD2 ARG 17 2HD ARG 17 8.118 5.401 -2.372 138 HD3 ARG 17 1HD ARG 17 9.291 6.232 -3.397 139 HE ARG 17 HE ARG 17 7.682 5.425 -5.243 140 HH11 ARG 17 1HH1 ARG 17 6.714 6.739 -2.095 141 HH12 ARG 17 2HH1 ARG 17 5.207 7.329 -2.642 142 HH21 ARG 17 1HH2 ARG 17 5.638 6.244 -5.993 143 HH22 ARG 17 2HH2 ARG 17 4.593 7.076 -4.953 144 H ARG 18 H ARG 18 10.952 1.298 -5.066 145 HA ARG 18 HA ARG 18 13.007 0.655 -4.539 146 HB2 ARG 18 2HB ARG 18 12.841 2.763 -3.140 147 HB3 ARG 18 1HB ARG 18 12.453 1.751 -1.759 148 HG2 ARG 18 2HG ARG 18 14.797 2.423 -1.737 149 HG3 ARG 18 1HG ARG 18 14.652 0.674 -1.931 150 HD2 ARG 18 2HD ARG 18 16.357 1.638 -3.425 151 HD3 ARG 18 1HD ARG 18 15.051 0.881 -4.325 152 HE ARG 18 HE ARG 18 14.737 3.696 -3.842 153 HH11 ARG 18 1HH1 ARG 18 15.982 1.254 -6.118 154 HH12 ARG 18 2HH1 ARG 18 15.924 2.297 -7.457 155 HH21 ARG 18 1HH2 ARG 18 14.697 5.119 -5.728 156 HH22 ARG 18 2HH2 ARG 18 15.206 4.516 -7.234 Start of MODEL 15 1 H1 GLY 1 H GLY 1 11.296 -2.047 -3.883 2 HA2 GLY 1 2HA GLY 1 11.795 -4.033 -2.802 3 HA3 GLY 1 1HA GLY 1 12.888 -3.098 -1.782 4 H VAL 2 H VAL 2 10.752 -1.042 -1.346 5 HA VAL 2 HA VAL 2 9.439 -2.467 0.810 6 HB VAL 2 HB VAL 2 9.416 0.509 0.178 7 HG11 VAL 2 1HG1 VAL 2 8.414 -0.969 2.623 8 HG12 VAL 2 2HG1 VAL 2 7.410 -0.171 1.417 9 HG13 VAL 2 3HG1 VAL 2 8.480 0.785 2.442 10 HG21 VAL 2 3HG2 VAL 2 11.622 -0.288 0.838 11 HG22 VAL 2 1HG2 VAL 2 10.933 -1.039 2.277 12 HG23 VAL 2 2HG2 VAL 2 10.917 0.716 2.103 13 H ABA 3 H ABU 3 7.772 -3.562 0.157 14 HA ABA 3 HA ABU 3 5.850 -2.362 -1.681 15 HB3 ABA 3 1HB ABU 3 6.171 -5.213 -0.711 16 HB2 ABA 3 2HB ABU 3 6.664 -4.604 -2.286 17 HG1 ABA 3 1HG ABU 3 4.594 -5.851 -2.457 18 HG3 ABA 3 3HG ABU 3 3.835 -4.783 -1.279 19 HG2 ABA 3 2HG ABU 3 4.321 -4.148 -2.845 20 H ARG 4 H ARG 4 4.089 -1.519 -0.851 21 HA ARG 4 HA ARG 4 3.124 -2.551 1.717 22 HB2 ARG 4 2HB ARG 4 4.233 -0.349 2.063 23 HB3 ARG 4 1HB ARG 4 3.125 0.364 0.899 24 HG2 ARG 4 2HG ARG 4 1.234 -0.221 2.342 25 HG3 ARG 4 1HG ARG 4 2.353 -0.909 3.517 26 HD2 ARG 4 2HD ARG 4 1.716 1.305 4.219 27 HD3 ARG 4 1HD ARG 4 3.414 1.314 3.745 28 HE ARG 4 HE ARG 4 2.030 2.043 1.497 29 HH11 ARG 4 1HH1 ARG 4 2.270 3.344 4.803 30 HH12 ARG 4 2HH1 ARG 4 1.950 4.940 4.310 31 HH21 ARG 4 1HH2 ARG 4 1.613 4.268 0.885 32 HH22 ARG 4 2HH2 ARG 4 1.603 5.467 2.102 33 H CYS 5 H CYS 5 0.979 -2.902 1.800 34 HA CYS 5 HA CYS 5 -0.579 -2.084 -0.518 35 HB2 CYS 5 2HB CYS 5 -0.857 -4.541 1.212 36 HB3 CYS 5 1HB CYS 5 -1.977 -4.087 -0.071 37 H VAL 6 H VAL 6 -2.104 -0.748 -0.118 38 HA VAL 6 HA VAL 6 -3.022 -0.379 2.648 39 HB VAL 6 HB VAL 6 -3.239 1.544 0.363 40 HG11 VAL 6 1HG1 VAL 6 -4.865 1.956 2.082 41 HG12 VAL 6 2HG1 VAL 6 -3.650 3.236 2.116 42 HG13 VAL 6 3HG1 VAL 6 -3.610 1.948 3.322 43 HG21 VAL 6 3HG2 VAL 6 -0.883 1.225 0.800 44 HG22 VAL 6 1HG2 VAL 6 -1.134 1.515 2.521 45 HG23 VAL 6 2HG2 VAL 6 -1.374 2.824 1.360 46 H ABA 7 H ABU 7 -4.997 -0.903 2.964 47 HA ABA 7 HA ABU 7 -6.797 -1.259 0.675 48 HB3 ABA 7 1HB ABU 7 -7.019 -2.571 3.399 49 HB2 ABA 7 2HB ABU 7 -6.233 -3.338 2.025 50 HG1 ABA 7 1HG ABU 7 -9.127 -2.521 2.133 51 HG3 ABA 7 3HG ABU 7 -8.321 -3.330 0.792 52 HG2 ABA 7 2HG ABU 7 -8.508 -4.157 2.337 53 H ARG 8 H ARG 8 -8.022 0.418 0.509 54 HA ARG 8 HA ARG 8 -9.079 1.678 2.943 55 HB2 ARG 8 2HB ARG 8 -7.244 3.040 2.104 56 HB3 ARG 8 1HB ARG 8 -7.941 3.037 0.498 57 HG2 ARG 8 2HG ARG 8 -9.839 4.337 1.303 58 HG3 ARG 8 1HG ARG 8 -9.166 4.321 2.938 59 HD2 ARG 8 2HD ARG 8 -7.204 5.519 2.162 60 HD3 ARG 8 1HD ARG 8 -7.803 5.474 0.508 61 HE ARG 8 HE ARG 8 -9.686 6.703 2.223 62 HH11 ARG 8 1HH1 ARG 8 -6.556 7.353 0.670 63 HH12 ARG 8 2HH1 ARG 8 -6.832 9.030 0.566 64 HH21 ARG 8 1HH2 ARG 8 -10.015 8.974 2.101 65 HH22 ARG 8 2HH2 ARG 8 -8.860 9.991 1.368 66 H ARG 9 H ARG 9 -11.189 1.594 2.914 67 HA ARG 9 HA ARG 9 -13.344 1.590 2.297 68 HB2 ARG 9 2HB ARG 9 -12.578 3.790 1.199 69 HB3 ARG 9 1HB ARG 9 -12.463 2.891 -0.299 70 HG2 ARG 9 2HG ARG 9 -14.526 4.131 -0.277 71 HG3 ARG 9 1HG ARG 9 -14.903 2.413 -0.140 72 HD2 ARG 9 2HD ARG 9 -15.281 2.616 2.212 73 HD3 ARG 9 1HD ARG 9 -14.694 4.278 2.214 74 HE ARG 9 HE ARG 9 -16.921 3.877 0.473 75 HH11 ARG 9 1HH1 ARG 9 -16.073 4.383 3.878 76 HH12 ARG 9 2HH1 ARG 9 -17.513 5.186 4.265 77 HH21 ARG 9 1HH2 ARG 9 -18.942 4.978 1.038 78 HH22 ARG 9 2HH2 ARG 9 -19.167 5.535 2.624 79 H GLY 10 H GLY 10 -11.793 -0.598 1.867 80 HA2 GLY 10 2HA GLY 10 -12.104 -2.713 1.124 81 HA3 GLY 10 1HA GLY 10 -13.453 -2.093 0.181 82 H VAL 11 H VAL 11 -10.754 -0.282 -0.538 83 HA VAL 11 HA VAL 11 -10.205 -1.898 -2.912 84 HB VAL 11 HB VAL 11 -9.759 1.074 -2.449 85 HG11 VAL 11 1HG1 VAL 11 -9.228 1.200 -4.824 86 HG12 VAL 11 2HG1 VAL 11 -9.476 -0.532 -4.980 87 HG13 VAL 11 3HG1 VAL 11 -8.130 0.077 -4.014 88 HG21 VAL 11 3HG2 VAL 11 -11.588 1.407 -4.033 89 HG22 VAL 11 1HG2 VAL 11 -12.124 0.502 -2.618 90 HG23 VAL 11 2HG2 VAL 11 -11.818 -0.337 -4.141 91 H ABA 12 H ABU 12 -8.386 -2.974 -2.813 92 HA ABA 12 HA ABU 12 -6.261 -2.120 -1.004 93 HB3 ABA 12 1HB ABU 12 -6.611 -4.720 -2.515 94 HB2 ABA 12 2HB ABU 12 -7.092 -4.466 -0.843 95 HG1 ABA 12 1HG ABU 12 -4.274 -4.316 -1.890 96 HG3 ABA 12 3HG ABU 12 -4.775 -4.100 -0.209 97 HG2 ABA 12 2HG ABU 12 -4.977 -5.664 -1.002 98 H ARG 13 H ARG 13 -4.565 -1.153 -1.760 99 HA ARG 13 HA ARG 13 -3.787 -1.481 -4.579 100 HB2 ARG 13 2HB ARG 13 -3.740 1.056 -2.922 101 HB3 ARG 13 1HB ARG 13 -3.095 0.890 -4.549 102 HG2 ARG 13 2HG ARG 13 -5.344 0.458 -5.409 103 HG3 ARG 13 1HG ARG 13 -5.995 0.576 -3.775 104 HD2 ARG 13 2HD ARG 13 -6.314 2.646 -5.089 105 HD3 ARG 13 1HD ARG 13 -5.342 2.901 -3.638 106 HE ARG 13 HE ARG 13 -3.425 2.544 -5.341 107 HH11 ARG 13 1HH1 ARG 13 -6.338 4.514 -5.832 108 HH12 ARG 13 2HH1 ARG 13 -5.624 5.470 -7.044 109 HH21 ARG 13 1HH2 ARG 13 -2.449 3.899 -6.930 110 HH22 ARG 13 2HH2 ARG 13 -3.376 5.113 -7.690 111 H CYS 14 H CYS 14 -1.580 -1.813 -4.856 112 HA CYS 14 HA CYS 14 0.066 -1.733 -2.419 113 HB2 CYS 14 2HB CYS 14 0.207 -3.746 -4.675 114 HB3 CYS 14 1HB CYS 14 1.282 -3.693 -3.285 115 H VAL 15 H VAL 15 1.982 -0.722 -2.581 116 HA VAL 15 HA VAL 15 2.906 0.093 -5.265 117 HB VAL 15 HB VAL 15 3.396 1.629 -2.696 118 HG11 VAL 15 1HG1 VAL 15 4.105 3.450 -4.156 119 HG12 VAL 15 2HG1 VAL 15 3.776 2.446 -5.567 120 HG13 VAL 15 3HG1 VAL 15 5.051 1.988 -4.442 121 HG21 VAL 15 3HG2 VAL 15 1.002 1.692 -3.202 122 HG22 VAL 15 1HG2 VAL 15 1.362 2.277 -4.827 123 HG23 VAL 15 2HG2 VAL 15 1.745 3.279 -3.424 124 H ABA 16 H ABU 16 5.096 -0.272 -5.664 125 HA ABA 16 HA ABU 16 6.604 -1.590 -3.523 126 HB3 ABA 16 1HB ABU 16 7.786 -2.772 -5.334 127 HB2 ABA 16 2HB ABU 16 6.752 -2.001 -6.521 128 HG1 ABA 16 1HG ABU 16 4.803 -3.121 -5.542 129 HG3 ABA 16 3HG ABU 16 6.014 -4.258 -6.127 130 HG2 ABA 16 2HG ABU 16 5.868 -3.947 -4.399 131 H ARG 17 H ARG 17 7.742 0.147 -2.761 132 HA ARG 17 HA ARG 17 9.211 1.742 -4.741 133 HB2 ARG 17 2HB ARG 17 8.542 2.409 -1.876 134 HB3 ARG 17 1HB ARG 17 9.549 3.400 -2.917 135 HG2 ARG 17 2HG ARG 17 7.611 3.629 -4.468 136 HG3 ARG 17 1HG ARG 17 6.634 2.770 -3.276 137 HD2 ARG 17 2HD ARG 17 8.113 5.345 -2.788 138 HD3 ARG 17 1HD ARG 17 6.390 5.206 -3.109 139 HE ARG 17 HE ARG 17 6.336 3.792 -1.040 140 HH11 ARG 17 1HH1 ARG 17 8.779 6.326 -1.425 141 HH12 ARG 17 2HH1 ARG 17 8.869 6.707 0.223 142 HH21 ARG 17 1HH2 ARG 17 6.463 4.320 1.256 143 HH22 ARG 17 2HH2 ARG 17 7.519 5.543 1.782 144 H ARG 18 H ARG 18 10.924 0.593 -5.118 145 HA ARG 18 HA ARG 18 12.970 -0.298 -4.967 146 HB2 ARG 18 2HB ARG 18 13.288 2.131 -4.311 147 HB3 ARG 18 1HB ARG 18 13.379 1.591 -2.647 148 HG2 ARG 18 2HG ARG 18 15.609 1.936 -3.532 149 HG3 ARG 18 1HG ARG 18 15.347 0.223 -3.221 150 HD2 ARG 18 2HD ARG 18 16.497 0.594 -5.354 151 HD3 ARG 18 1HD ARG 18 14.927 -0.162 -5.602 152 HE ARG 18 HE ARG 18 14.719 2.648 -5.795 153 HH11 ARG 18 1HH1 ARG 18 15.826 -0.166 -7.679 154 HH12 ARG 18 2HH1 ARG 18 15.677 0.638 -9.168 155 HH21 ARG 18 1HH2 ARG 18 14.527 3.689 -7.873 156 HH22 ARG 18 2HH2 ARG 18 14.927 2.840 -9.289 Start of MODEL 16 1 H1 GLY 1 H GLY 1 10.598 -0.304 -4.223 2 HA2 GLY 1 2HA GLY 1 10.588 -2.525 -4.638 3 HA3 GLY 1 1HA GLY 1 12.070 -2.628 -3.697 4 H VAL 2 H VAL 2 10.047 -1.150 -1.623 5 HA VAL 2 HA VAL 2 9.384 -3.688 -0.380 6 HB VAL 2 HB VAL 2 9.107 -0.869 0.717 7 HG11 VAL 2 1HG1 VAL 2 8.850 -1.957 2.903 8 HG12 VAL 2 2HG1 VAL 2 8.912 -3.537 2.124 9 HG13 VAL 2 3HG1 VAL 2 7.568 -2.448 1.793 10 HG21 VAL 2 3HG2 VAL 2 11.233 -2.960 1.180 11 HG22 VAL 2 1HG2 VAL 2 11.091 -1.440 2.062 12 HG23 VAL 2 2HG2 VAL 2 11.431 -1.426 0.333 13 H ABA 3 H ABU 3 7.552 -4.564 -0.812 14 HA ABA 3 HA ABU 3 5.423 -3.152 -2.085 15 HB3 ABA 3 1HB ABU 3 5.518 -5.973 -1.008 16 HB2 ABA 3 2HB ABU 3 5.984 -5.503 -2.635 17 HG1 ABA 3 1HG ABU 3 3.693 -4.785 -3.078 18 HG3 ABA 3 3HG ABU 3 3.771 -6.487 -2.616 19 HG2 ABA 3 2HG ABU 3 3.230 -5.275 -1.448 20 H ARG 4 H ARG 4 4.431 -1.728 -0.853 21 HA ARG 4 HA ARG 4 3.425 -2.584 1.760 22 HB2 ARG 4 2HB ARG 4 4.812 -0.528 1.761 23 HB3 ARG 4 1HB ARG 4 3.684 0.214 0.632 24 HG2 ARG 4 2HG ARG 4 1.897 0.022 2.294 25 HG3 ARG 4 1HG ARG 4 3.038 -0.692 3.431 26 HD2 ARG 4 2HD ARG 4 4.369 1.359 3.367 27 HD3 ARG 4 1HD ARG 4 3.218 2.067 2.234 28 HE ARG 4 HE ARG 4 1.940 1.135 4.587 29 HH11 ARG 4 1HH1 ARG 4 3.898 3.829 3.408 30 HH12 ARG 4 2HH1 ARG 4 3.231 4.956 4.488 31 HH21 ARG 4 1HH2 ARG 4 1.045 2.674 6.072 32 HH22 ARG 4 2HH2 ARG 4 1.561 4.298 6.002 33 H CYS 5 H CYS 5 1.288 -2.848 1.999 34 HA CYS 5 HA CYS 5 -0.352 -2.270 -0.333 35 HB2 CYS 5 2HB CYS 5 -0.830 -4.170 1.953 36 HB3 CYS 5 1HB CYS 5 -1.864 -3.967 0.537 37 H VAL 6 H VAL 6 -1.733 -0.769 -0.344 38 HA VAL 6 HA VAL 6 -2.480 0.483 2.190 39 HB VAL 6 HB VAL 6 -2.965 1.480 -0.610 40 HG11 VAL 6 1HG1 VAL 6 -3.055 2.949 2.018 41 HG12 VAL 6 2HG1 VAL 6 -4.437 2.459 1.038 42 HG13 VAL 6 3HG1 VAL 6 -3.316 3.675 0.428 43 HG21 VAL 6 3HG2 VAL 6 -1.047 3.027 -0.308 44 HG22 VAL 6 1HG2 VAL 6 -0.550 1.334 -0.300 45 HG23 VAL 6 2HG2 VAL 6 -0.672 2.223 1.215 46 H ABA 7 H ABU 7 -4.449 0.217 2.849 47 HA ABA 7 HA ABU 7 -6.424 -1.092 1.118 48 HB3 ABA 7 1HB ABU 7 -7.355 -2.023 3.222 49 HB2 ABA 7 2HB ABU 7 -6.018 -1.309 4.108 50 HG1 ABA 7 1HG ABU 7 -5.627 -3.660 3.756 51 HG3 ABA 7 3HG ABU 7 -5.805 -3.451 2.016 52 HG2 ABA 7 2HG ABU 7 -4.443 -2.704 2.850 53 H ARG 8 H ARG 8 -7.639 0.609 0.481 54 HA ARG 8 HA ARG 8 -8.789 2.203 2.631 55 HB2 ARG 8 2HB ARG 8 -6.989 3.543 1.634 56 HB3 ARG 8 1HB ARG 8 -7.735 3.377 0.053 57 HG2 ARG 8 2HG ARG 8 -9.724 4.563 0.882 58 HG3 ARG 8 1HG ARG 8 -8.943 4.750 2.449 59 HD2 ARG 8 2HD ARG 8 -8.716 6.781 1.199 60 HD3 ARG 8 1HD ARG 8 -7.132 6.016 1.350 61 HE ARG 8 HE ARG 8 -8.242 5.160 -1.042 62 HH11 ARG 8 1HH1 ARG 8 -7.128 8.212 0.376 63 HH12 ARG 8 2HH1 ARG 8 -6.730 8.925 -1.115 64 HH21 ARG 8 1HH2 ARG 8 -7.700 6.176 -3.123 65 HH22 ARG 8 2HH2 ARG 8 -7.094 7.760 -3.122 66 H ARG 9 H ARG 9 -10.845 2.025 2.597 67 HA ARG 9 HA ARG 9 -12.987 1.817 2.022 68 HB2 ARG 9 2HB ARG 9 -12.336 4.033 1.025 69 HB3 ARG 9 1HB ARG 9 -12.156 3.215 -0.511 70 HG2 ARG 9 2HG ARG 9 -14.494 2.701 -0.585 71 HG3 ARG 9 1HG ARG 9 -14.722 3.324 1.052 72 HD2 ARG 9 2HD ARG 9 -13.778 4.923 -1.310 73 HD3 ARG 9 1HD ARG 9 -15.418 4.947 -0.652 74 HE ARG 9 HE ARG 9 -13.646 5.507 1.422 75 HH11 ARG 9 1HH1 ARG 9 -14.608 7.053 -1.593 76 HH12 ARG 9 2HH1 ARG 9 -14.458 8.645 -1.005 77 HH21 ARG 9 1HH2 ARG 9 -13.395 7.636 2.233 78 HH22 ARG 9 2HH2 ARG 9 -13.734 8.991 1.259 79 H GLY 10 H GLY 10 -11.704 -0.451 1.642 80 HA2 GLY 10 2HA GLY 10 -12.173 -2.502 0.842 81 HA3 GLY 10 1HA GLY 10 -13.377 -1.734 -0.185 82 H VAL 11 H VAL 11 -10.425 -0.243 -0.645 83 HA VAL 11 HA VAL 11 -9.822 -1.993 -2.911 84 HB VAL 11 HB VAL 11 -9.217 0.970 -2.658 85 HG11 VAL 11 1HG1 VAL 11 -8.892 -0.912 -4.991 86 HG12 VAL 11 2HG1 VAL 11 -7.594 -0.190 -4.039 87 HG13 VAL 11 3HG1 VAL 11 -8.624 0.828 -5.047 88 HG21 VAL 11 3HG2 VAL 11 -10.948 1.311 -4.375 89 HG22 VAL 11 1HG2 VAL 11 -11.621 0.598 -2.910 90 HG23 VAL 11 2HG2 VAL 11 -11.328 -0.408 -4.326 91 H ABA 12 H ABU 12 -8.048 -3.083 -2.658 92 HA ABA 12 HA ABU 12 -5.962 -2.076 -0.865 93 HB3 ABA 12 1HB ABU 12 -6.604 -4.922 -1.698 94 HB2 ABA 12 2HB ABU 12 -6.943 -4.200 -0.129 95 HG1 ABA 12 1HG ABU 12 -4.204 -4.668 -1.278 96 HG3 ABA 12 3HG ABU 12 -4.558 -3.975 0.303 97 HG2 ABA 12 2HG ABU 12 -4.995 -5.647 -0.044 98 H ARG 13 H ARG 13 -4.316 -1.286 -1.880 99 HA ARG 13 HA ARG 13 -3.425 -2.534 -4.374 100 HB2 ARG 13 2HB ARG 13 -3.677 0.407 -3.764 101 HB3 ARG 13 1HB ARG 13 -2.596 -0.191 -5.015 102 HG2 ARG 13 2HG ARG 13 -5.560 -0.728 -4.945 103 HG3 ARG 13 1HG ARG 13 -4.805 0.573 -5.872 104 HD2 ARG 13 2HD ARG 13 -3.499 -1.042 -7.114 105 HD3 ARG 13 1HD ARG 13 -4.179 -2.373 -6.186 106 HE ARG 13 HE ARG 13 -6.308 -1.054 -7.319 107 HH11 ARG 13 1HH1 ARG 13 -3.376 -2.611 -8.562 108 HH12 ARG 13 2HH1 ARG 13 -4.091 -3.215 -9.965 109 HH21 ARG 13 1HH2 ARG 13 -7.324 -1.881 -9.249 110 HH22 ARG 13 2HH2 ARG 13 -6.430 -2.780 -10.380 111 H CYS 14 H CYS 14 -1.462 -3.250 -4.328 112 HA CYS 14 HA CYS 14 0.285 -2.377 -2.153 113 HB2 CYS 14 2HB CYS 14 0.499 -4.827 -3.904 114 HB3 CYS 14 1HB CYS 14 1.480 -4.452 -2.489 115 H VAL 15 H VAL 15 1.799 -1.075 -2.490 116 HA VAL 15 HA VAL 15 2.794 -0.691 -5.234 117 HB VAL 15 HB VAL 15 2.909 1.308 -2.974 118 HG11 VAL 15 1HG1 VAL 15 3.313 2.944 -4.766 119 HG12 VAL 15 2HG1 VAL 15 3.321 1.621 -5.935 120 HG13 VAL 15 3HG1 VAL 15 4.552 1.693 -4.674 121 HG21 VAL 15 3HG2 VAL 15 0.553 0.886 -3.483 122 HG22 VAL 15 1HG2 VAL 15 0.855 1.214 -5.187 123 HG23 VAL 15 2HG2 VAL 15 1.033 2.503 -4.003 124 H ABA 16 H ABU 16 4.939 -0.894 -5.491 125 HA ABA 16 HA ABU 16 6.478 -1.747 -3.183 126 HB3 ABA 16 1HB ABU 16 8.184 -2.422 -4.856 127 HB2 ABA 16 2HB ABU 16 7.137 -1.811 -6.133 128 HG1 ABA 16 1HG ABU 16 6.506 -4.075 -4.252 129 HG3 ABA 16 3HG ABU 16 5.428 -3.446 -5.495 130 HG2 ABA 16 2HG ABU 16 6.941 -4.219 -5.958 131 H ARG 17 H ARG 17 6.901 0.072 -2.101 132 HA ARG 17 HA ARG 17 8.177 2.312 -3.464 133 HB2 ARG 17 2HB ARG 17 7.255 1.941 -0.609 134 HB3 ARG 17 1HB ARG 17 8.148 3.350 -1.152 135 HG2 ARG 17 2HG ARG 17 6.326 3.845 -2.753 136 HG3 ARG 17 1HG ARG 17 5.424 2.478 -2.096 137 HD2 ARG 17 2HD ARG 17 4.727 4.641 -1.114 138 HD3 ARG 17 1HD ARG 17 5.362 3.519 0.093 139 HE ARG 17 HE ARG 17 7.445 5.124 -0.849 140 HH11 ARG 17 1HH1 ARG 17 4.465 5.590 1.011 141 HH12 ARG 17 2HH1 ARG 17 5.129 6.719 2.088 142 HH21 ARG 17 1HH2 ARG 17 8.377 6.715 0.658 143 HH22 ARG 17 2HH2 ARG 17 7.396 7.376 1.871 144 H ARG 18 H ARG 18 10.228 2.162 -3.834 145 HA ARG 18 HA ARG 18 12.408 1.633 -3.758 146 HB2 ARG 18 2HB ARG 18 12.234 2.974 -1.579 147 HB3 ARG 18 1HB ARG 18 12.108 1.442 -0.736 148 HG2 ARG 18 2HG ARG 18 14.343 0.835 -1.684 149 HG3 ARG 18 1HG ARG 18 14.464 2.486 -2.298 150 HD2 ARG 18 2HD ARG 18 14.212 1.627 0.582 151 HD3 ARG 18 1HD ARG 18 15.622 2.335 -0.198 152 HE ARG 18 HE ARG 18 13.793 4.232 -0.588 153 HH11 ARG 18 1HH1 ARG 18 14.614 2.462 2.374 154 HH12 ARG 18 2HH1 ARG 18 14.235 3.750 3.405 155 HH21 ARG 18 1HH2 ARG 18 13.253 5.968 0.820 156 HH22 ARG 18 2HH2 ARG 18 13.479 5.840 2.493 Start of MODEL 17 1 H1 GLY 1 H GLY 1 10.775 0.209 -3.827 2 HA2 GLY 1 2HA GLY 1 11.220 -1.937 -4.422 3 HA3 GLY 1 1HA GLY 1 12.562 -1.874 -3.288 4 H VAL 2 H VAL 2 9.880 -0.959 -1.565 5 HA VAL 2 HA VAL 2 9.552 -3.696 -0.594 6 HB VAL 2 HB VAL 2 8.889 -1.089 0.807 7 HG11 VAL 2 1HG1 VAL 2 7.458 -2.902 1.556 8 HG12 VAL 2 2HG1 VAL 2 8.633 -2.488 2.809 9 HG13 VAL 2 3HG1 VAL 2 8.865 -3.931 1.823 10 HG21 VAL 2 3HG2 VAL 2 11.286 -1.364 0.559 11 HG22 VAL 2 1HG2 VAL 2 11.183 -3.002 1.206 12 HG23 VAL 2 2HG2 VAL 2 10.811 -1.618 2.237 13 H ABA 3 H ABU 3 7.777 -4.708 -1.152 14 HA ABA 3 HA ABU 3 5.560 -3.309 -2.314 15 HB3 ABA 3 1HB ABU 3 5.872 -6.244 -1.661 16 HB2 ABA 3 2HB ABU 3 6.315 -5.504 -3.193 17 HG1 ABA 3 1HG ABU 3 3.965 -4.888 -3.555 18 HG3 ABA 3 3HG ABU 3 4.186 -6.629 -3.382 19 HG2 ABA 3 2HG ABU 3 3.533 -5.682 -2.041 20 H ARG 4 H ARG 4 4.266 -2.274 -1.049 21 HA ARG 4 HA ARG 4 3.314 -3.538 1.421 22 HB2 ARG 4 2HB ARG 4 2.882 -1.242 2.253 23 HB3 ARG 4 1HB ARG 4 4.585 -1.565 1.950 24 HG2 ARG 4 2HG ARG 4 4.448 -0.314 -0.146 25 HG3 ARG 4 1HG ARG 4 2.735 -0.005 0.150 26 HD2 ARG 4 2HD ARG 4 4.182 1.900 0.794 27 HD3 ARG 4 1HD ARG 4 3.262 1.244 2.148 28 HE ARG 4 HE ARG 4 5.601 -0.106 2.255 29 HH11 ARG 4 1HH1 ARG 4 4.806 3.343 2.318 30 HH12 ARG 4 2HH1 ARG 4 6.168 3.732 3.260 31 HH21 ARG 4 1HH2 ARG 4 7.396 0.474 3.552 32 HH22 ARG 4 2HH2 ARG 4 7.690 2.101 3.952 33 H CYS 5 H CYS 5 1.058 -2.768 1.943 34 HA CYS 5 HA CYS 5 -0.424 -2.312 -0.518 35 HB2 CYS 5 2HB CYS 5 -1.151 -4.391 1.555 36 HB3 CYS 5 1HB CYS 5 -2.063 -4.024 0.092 37 H VAL 6 H VAL 6 -1.847 -0.838 -0.404 38 HA VAL 6 HA VAL 6 -2.469 0.362 2.197 39 HB VAL 6 HB VAL 6 -2.996 1.454 -0.543 40 HG11 VAL 6 1HG1 VAL 6 -4.326 2.486 1.158 41 HG12 VAL 6 2HG1 VAL 6 -3.127 3.640 0.568 42 HG13 VAL 6 3HG1 VAL 6 -2.886 2.835 2.119 43 HG21 VAL 6 3HG2 VAL 6 -0.979 2.871 -0.309 44 HG22 VAL 6 1HG2 VAL 6 -0.588 1.155 -0.383 45 HG23 VAL 6 2HG2 VAL 6 -0.560 2.000 1.164 46 H ABA 7 H ABU 7 -4.425 0.045 2.888 47 HA ABA 7 HA ABU 7 -6.444 -1.016 1.078 48 HB3 ABA 7 1HB ABU 7 -6.224 -2.435 2.999 49 HB2 ABA 7 2HB ABU 7 -7.723 -1.540 3.196 50 HG1 ABA 7 1HG ABU 7 -5.142 -0.943 4.605 51 HG3 ABA 7 3HG ABU 7 -6.640 -0.029 4.770 52 HG2 ABA 7 2HG ABU 7 -6.564 -1.710 5.307 53 H ARG 8 H ARG 8 -7.089 0.722 0.023 54 HA ARG 8 HA ARG 8 -7.970 3.020 1.607 55 HB2 ARG 8 2HB ARG 8 -6.242 3.393 -0.153 56 HB3 ARG 8 1HB ARG 8 -7.416 2.887 -1.358 57 HG2 ARG 8 2HG ARG 8 -8.867 4.748 -0.737 58 HG3 ARG 8 1HG ARG 8 -7.690 5.253 0.479 59 HD2 ARG 8 2HD ARG 8 -7.249 5.131 -2.505 60 HD3 ARG 8 1HD ARG 8 -7.463 6.589 -1.544 61 HE ARG 8 HE ARG 8 -5.164 4.758 -1.390 62 HH11 ARG 8 1HH1 ARG 8 -6.493 7.997 -0.852 63 HH12 ARG 8 2HH1 ARG 8 -4.973 8.737 -0.678 64 HH21 ARG 8 1HH2 ARG 8 -3.099 5.773 -1.154 65 HH22 ARG 8 2HH2 ARG 8 -2.992 7.451 -0.859 66 H ARG 9 H ARG 9 -9.969 2.586 2.183 67 HA ARG 9 HA ARG 9 -12.173 2.282 2.149 68 HB2 ARG 9 2HB ARG 9 -12.016 4.390 0.824 69 HB3 ARG 9 1HB ARG 9 -11.986 3.435 -0.647 70 HG2 ARG 9 2HG ARG 9 -14.238 2.641 -0.200 71 HG3 ARG 9 1HG ARG 9 -14.271 3.533 1.319 72 HD2 ARG 9 2HD ARG 9 -13.916 4.767 -1.407 73 HD3 ARG 9 1HD ARG 9 -15.436 4.698 -0.522 74 HE ARG 9 HE ARG 9 -13.976 5.912 1.266 75 HH11 ARG 9 1HH1 ARG 9 -13.980 6.520 -2.228 76 HH12 ARG 9 2HH1 ARG 9 -13.604 8.157 -2.087 77 HH21 ARG 9 1HH2 ARG 9 -13.530 8.188 1.462 78 HH22 ARG 9 2HH2 ARG 9 -13.352 9.143 0.057 79 H GLY 10 H GLY 10 -11.054 -0.012 1.891 80 HA2 GLY 10 2HA GLY 10 -11.717 -2.130 1.458 81 HA3 GLY 10 1HA GLY 10 -12.942 -1.443 0.396 82 H VAL 11 H VAL 11 -10.263 -0.055 -0.771 83 HA VAL 11 HA VAL 11 -9.802 -2.265 -2.618 84 HB VAL 11 HB VAL 11 -9.136 0.681 -2.944 85 HG11 VAL 11 1HG1 VAL 11 -7.594 -0.736 -4.193 86 HG12 VAL 11 2HG1 VAL 11 -8.680 0.099 -5.305 87 HG13 VAL 11 3HG1 VAL 11 -8.947 -1.605 -4.914 88 HG21 VAL 11 3HG2 VAL 11 -10.959 0.718 -4.596 89 HG22 VAL 11 1HG2 VAL 11 -11.549 0.288 -2.991 90 HG23 VAL 11 2HG2 VAL 11 -11.336 -0.965 -4.209 91 H ABA 12 H ABU 12 -8.206 -3.466 -1.897 92 HA ABA 12 HA ABU 12 -5.972 -2.308 -0.481 93 HB3 ABA 12 1HB ABU 12 -6.504 -5.177 -1.311 94 HB2 ABA 12 2HB ABU 12 -6.912 -4.473 0.251 95 HG1 ABA 12 1HG ABU 12 -4.549 -4.125 0.731 96 HG3 ABA 12 3HG ABU 12 -4.895 -5.822 0.385 97 HG2 ABA 12 2HG ABU 12 -4.131 -4.811 -0.839 98 H ARG 13 H ARG 13 -4.700 -1.208 -1.749 99 HA ARG 13 HA ARG 13 -3.929 -2.288 -4.363 100 HB2 ARG 13 2HB ARG 13 -4.773 -0.005 -4.387 101 HB3 ARG 13 1HB ARG 13 -3.603 0.463 -3.164 102 HG2 ARG 13 2HG ARG 13 -1.777 0.009 -4.734 103 HG3 ARG 13 1HG ARG 13 -2.961 -0.449 -5.956 104 HD2 ARG 13 2HD ARG 13 -2.737 2.256 -4.652 105 HD3 ARG 13 1HD ARG 13 -2.156 1.836 -6.263 106 HE ARG 13 HE ARG 13 -4.873 1.182 -6.075 107 HH11 ARG 13 1HH1 ARG 13 -2.775 3.990 -6.278 108 HH12 ARG 13 2HH1 ARG 13 -3.960 5.011 -6.952 109 HH21 ARG 13 1HH2 ARG 13 -6.523 2.577 -6.978 110 HH22 ARG 13 2HH2 ARG 13 -6.135 4.195 -7.330 111 H CYS 14 H CYS 14 -2.048 -3.339 -4.447 112 HA CYS 14 HA CYS 14 -0.091 -2.786 -2.385 113 HB2 CYS 14 2HB CYS 14 -0.246 -5.058 -4.379 114 HB3 CYS 14 1HB CYS 14 1.008 -4.874 -3.163 115 H VAL 15 H VAL 15 1.707 -1.795 -2.719 116 HA VAL 15 HA VAL 15 2.563 -1.191 -5.424 117 HB VAL 15 HB VAL 15 1.089 0.623 -4.771 118 HG11 VAL 15 1HG1 VAL 15 1.214 0.520 -2.369 119 HG12 VAL 15 2HG1 VAL 15 1.612 2.154 -2.902 120 HG13 VAL 15 3HG1 VAL 15 2.894 1.051 -2.397 121 HG21 VAL 15 3HG2 VAL 15 2.622 2.560 -5.063 122 HG22 VAL 15 1HG2 VAL 15 2.941 1.243 -6.189 123 HG23 VAL 15 2HG2 VAL 15 3.984 1.474 -4.791 124 H ABA 16 H ABU 16 4.698 -0.778 -5.564 125 HA ABA 16 HA ABU 16 6.305 -1.652 -3.291 126 HB3 ABA 16 1HB ABU 16 8.124 -1.885 -4.943 127 HB2 ABA 16 2HB ABU 16 7.056 -1.277 -6.198 128 HG1 ABA 16 1HG ABU 16 7.225 -3.685 -6.323 129 HG3 ABA 16 3HG ABU 16 6.687 -3.826 -4.652 130 HG2 ABA 16 2HG ABU 16 5.587 -3.214 -5.880 131 H ARG 17 H ARG 17 6.960 -0.090 -2.019 132 HA ARG 17 HA ARG 17 7.896 2.413 -3.246 133 HB2 ARG 17 2HB ARG 17 6.068 2.904 -1.712 134 HB3 ARG 17 1HB ARG 17 6.831 1.949 -0.443 135 HG2 ARG 17 2HG ARG 17 8.666 3.514 -0.304 136 HG3 ARG 17 1HG ARG 17 8.020 4.452 -1.637 137 HD2 ARG 17 2HD ARG 17 6.670 4.012 1.018 138 HD3 ARG 17 1HD ARG 17 7.580 5.451 0.570 139 HE ARG 17 HE ARG 17 5.247 4.674 -1.032 140 HH11 ARG 17 1HH1 ARG 17 6.845 7.032 1.068 141 HH12 ARG 17 2HH1 ARG 17 5.602 8.181 0.980 142 HH21 ARG 17 1HH2 ARG 17 3.539 6.251 -1.186 143 HH22 ARG 17 2HH2 ARG 17 3.657 7.740 -0.362 144 H ARG 18 H ARG 18 9.972 2.564 -3.339 145 HA ARG 18 HA ARG 18 12.169 2.343 -2.994 146 HB2 ARG 18 2HB ARG 18 11.545 3.515 -0.830 147 HB3 ARG 18 1HB ARG 18 11.470 1.943 -0.058 148 HG2 ARG 18 2HG ARG 18 13.841 1.601 -0.506 149 HG3 ARG 18 1HG ARG 18 13.921 3.163 -1.312 150 HD2 ARG 18 2HD ARG 18 14.760 3.352 0.956 151 HD3 ARG 18 1HD ARG 18 13.264 4.259 0.784 152 HE ARG 18 HE ARG 18 12.758 1.645 1.748 153 HH11 ARG 18 1HH1 ARG 18 14.027 4.778 2.782 154 HH12 ARG 18 2HH1 ARG 18 13.547 4.624 4.401 155 HH21 ARG 18 1HH2 ARG 18 12.124 1.393 4.013 156 HH22 ARG 18 2HH2 ARG 18 12.419 2.644 5.112 Start of MODEL 18 1 H1 GLY 1 H GLY 1 10.986 -2.052 -4.348 2 HA2 GLY 1 2HA GLY 1 10.862 -4.169 -3.576 3 HA3 GLY 1 1HA GLY 1 12.271 -3.817 -2.587 4 H VAL 2 H VAL 2 10.345 -1.389 -1.690 5 HA VAL 2 HA VAL 2 9.274 -2.912 0.540 6 HB VAL 2 HB VAL 2 9.310 0.091 0.108 7 HG11 VAL 2 1HG1 VAL 2 8.896 0.220 2.520 8 HG12 VAL 2 2HG1 VAL 2 8.793 -1.532 2.600 9 HG13 VAL 2 3HG1 VAL 2 7.591 -0.622 1.686 10 HG21 VAL 2 3HG2 VAL 2 11.196 -1.631 1.716 11 HG22 VAL 2 1HG2 VAL 2 11.194 0.131 1.667 12 HG23 VAL 2 2HG2 VAL 2 11.576 -0.789 0.213 13 H ABA 3 H ABU 3 7.288 -3.676 0.347 14 HA ABA 3 HA ABU 3 5.471 -2.309 -1.480 15 HB3 ABA 3 1HB ABU 3 5.483 -5.190 -0.560 16 HB2 ABA 3 2HB ABU 3 6.020 -4.612 -2.129 17 HG1 ABA 3 1HG ABU 3 3.742 -3.874 -2.637 18 HG3 ABA 3 3HG ABU 3 3.802 -5.598 -2.272 19 HG2 ABA 3 2HG ABU 3 3.208 -4.457 -1.064 20 H ARG 4 H ARG 4 4.227 -1.015 -0.377 21 HA ARG 4 HA ARG 4 3.032 -2.042 2.089 22 HB2 ARG 4 2HB ARG 4 3.356 0.799 1.129 23 HB3 ARG 4 1HB ARG 4 2.205 0.383 2.384 24 HG2 ARG 4 2HG ARG 4 4.094 -0.563 3.710 25 HG3 ARG 4 1HG ARG 4 5.195 0.053 2.481 26 HD2 ARG 4 2HD ARG 4 4.998 1.568 4.431 27 HD3 ARG 4 1HD ARG 4 4.483 2.329 2.925 28 HE ARG 4 HE ARG 4 2.157 1.892 3.658 29 HH11 ARG 4 1HH1 ARG 4 4.657 2.017 6.214 30 HH12 ARG 4 2HH1 ARG 4 3.557 2.539 7.399 31 HH21 ARG 4 1HH2 ARG 4 0.719 2.602 5.298 32 HH22 ARG 4 2HH2 ARG 4 1.280 2.897 6.881 33 H CYS 5 H CYS 5 1.173 -2.966 1.828 34 HA CYS 5 HA CYS 5 -0.539 -2.072 -0.321 35 HB2 CYS 5 2HB CYS 5 -0.818 -4.390 1.576 36 HB3 CYS 5 1HB CYS 5 -1.989 -3.971 0.332 37 H VAL 6 H VAL 6 -1.794 -0.596 -0.075 38 HA VAL 6 HA VAL 6 -2.669 0.235 2.591 39 HB VAL 6 HB VAL 6 -3.127 1.680 0.043 40 HG11 VAL 6 1HG1 VAL 6 -4.294 2.534 1.931 41 HG12 VAL 6 2HG1 VAL 6 -3.064 3.701 1.442 42 HG13 VAL 6 3HG1 VAL 6 -2.794 2.671 2.849 43 HG21 VAL 6 3HG2 VAL 6 -1.002 2.985 0.381 44 HG22 VAL 6 1HG2 VAL 6 -0.760 1.290 -0.050 45 HG23 VAL 6 2HG2 VAL 6 -0.559 1.804 1.618 46 H ABA 7 H ABU 7 -4.529 -0.563 3.034 47 HA ABA 7 HA ABU 7 -6.427 -1.262 0.921 48 HB3 ABA 7 1HB ABU 7 -7.543 -2.617 2.682 49 HB2 ABA 7 2HB ABU 7 -6.294 -2.118 3.809 50 HG1 ABA 7 1HG ABU 7 -4.605 -3.219 2.423 51 HG3 ABA 7 3HG ABU 7 -5.853 -4.343 2.961 52 HG2 ABA 7 2HG ABU 7 -5.870 -3.737 1.307 53 H ARG 8 H ARG 8 -7.910 0.176 0.537 54 HA ARG 8 HA ARG 8 -9.029 1.653 2.772 55 HB2 ARG 8 2HB ARG 8 -9.062 3.707 1.334 56 HB3 ARG 8 1HB ARG 8 -7.485 3.208 1.915 57 HG2 ARG 8 2HG ARG 8 -6.917 2.317 -0.243 58 HG3 ARG 8 1HG ARG 8 -8.547 2.630 -0.844 59 HD2 ARG 8 2HD ARG 8 -6.967 4.329 -1.607 60 HD3 ARG 8 1HD ARG 8 -8.198 5.023 -0.555 61 HE ARG 8 HE ARG 8 -6.145 4.449 1.122 62 HH11 ARG 8 1HH1 ARG 8 -6.442 6.369 -1.831 63 HH12 ARG 8 2HH1 ARG 8 -5.228 7.474 -1.430 64 HH21 ARG 8 1HH2 ARG 8 -4.460 5.953 1.705 65 HH22 ARG 8 2HH2 ARG 8 -4.052 7.215 0.639 66 H ARG 9 H ARG 9 -10.966 0.991 2.866 67 HA ARG 9 HA ARG 9 -13.125 0.552 2.449 68 HB2 ARG 9 2HB ARG 9 -12.900 3.028 1.893 69 HB3 ARG 9 1HB ARG 9 -12.852 2.551 0.207 70 HG2 ARG 9 2HG ARG 9 -15.092 1.592 0.417 71 HG3 ARG 9 1HG ARG 9 -15.140 2.105 2.104 72 HD2 ARG 9 2HD ARG 9 -14.816 4.435 1.374 73 HD3 ARG 9 1HD ARG 9 -14.868 3.896 -0.302 74 HE ARG 9 HE ARG 9 -17.144 3.063 1.175 75 HH11 ARG 9 1HH1 ARG 9 -15.767 5.815 -0.562 76 HH12 ARG 9 2HH1 ARG 9 -17.270 6.559 -0.868 77 HH21 ARG 9 1HH2 ARG 9 -19.217 4.091 0.725 78 HH22 ARG 9 2HH2 ARG 9 -19.252 5.589 -0.096 79 H GLY 10 H GLY 10 -11.561 -1.360 1.419 80 HA2 GLY 10 2HA GLY 10 -12.151 -3.274 0.299 81 HA3 GLY 10 1HA GLY 10 -13.227 -2.282 -0.672 82 H VAL 11 H VAL 11 -10.686 -0.453 -0.954 83 HA VAL 11 HA VAL 11 -9.709 -1.929 -3.287 84 HB VAL 11 HB VAL 11 -9.390 1.026 -2.689 85 HG11 VAL 11 1HG1 VAL 11 -8.879 -0.576 -5.189 86 HG12 VAL 11 2HG1 VAL 11 -7.665 0.200 -4.169 87 HG13 VAL 11 3HG1 VAL 11 -8.808 1.179 -5.090 88 HG21 VAL 11 3HG2 VAL 11 -11.753 0.485 -3.015 89 HG22 VAL 11 1HG2 VAL 11 -11.365 -0.333 -4.530 90 HG23 VAL 11 2HG2 VAL 11 -11.125 1.408 -4.384 91 H ABA 12 H ABU 12 -7.797 -2.842 -3.113 92 HA ABA 12 HA ABU 12 -5.971 -1.922 -1.039 93 HB3 ABA 12 1HB ABU 12 -6.004 -4.491 -2.637 94 HB2 ABA 12 2HB ABU 12 -6.590 -4.308 -0.988 95 HG1 ABA 12 1HG ABU 12 -3.739 -3.971 -1.898 96 HG3 ABA 12 3HG ABU 12 -4.318 -3.769 -0.245 97 HG2 ABA 12 2HG ABU 12 -4.399 -5.352 -1.018 98 H ARG 13 H ARG 13 -4.563 -0.509 -1.715 99 HA ARG 13 HA ARG 13 -3.474 -0.724 -4.423 100 HB2 ARG 13 2HB ARG 13 -3.533 1.568 -2.465 101 HB3 ARG 13 1HB ARG 13 -2.535 1.582 -3.909 102 HG2 ARG 13 2HG ARG 13 -4.529 1.426 -5.303 103 HG3 ARG 13 1HG ARG 13 -5.544 1.372 -3.860 104 HD2 ARG 13 2HD ARG 13 -5.419 3.633 -4.888 105 HD3 ARG 13 1HD ARG 13 -4.851 3.587 -3.221 106 HE ARG 13 HE ARG 13 -2.761 3.248 -5.154 107 HH11 ARG 13 1HH1 ARG 13 -4.737 5.746 -3.622 108 HH12 ARG 13 2HH1 ARG 13 -3.524 6.928 -3.624 109 HH21 ARG 13 1HH2 ARG 13 -1.058 4.912 -5.178 110 HH22 ARG 13 2HH2 ARG 13 -1.395 6.434 -4.490 111 H CYS 14 H CYS 14 -1.665 -1.927 -4.429 112 HA CYS 14 HA CYS 14 0.123 -1.737 -2.122 113 HB2 CYS 14 2HB CYS 14 0.138 -3.735 -4.380 114 HB3 CYS 14 1HB CYS 14 1.216 -3.727 -2.992 115 H VAL 15 H VAL 15 1.659 -0.435 -2.205 116 HA VAL 15 HA VAL 15 2.701 0.430 -4.812 117 HB VAL 15 HB VAL 15 3.290 1.661 -2.134 118 HG11 VAL 15 1HG1 VAL 15 3.860 3.670 -3.450 119 HG12 VAL 15 2HG1 VAL 15 3.553 2.751 -4.924 120 HG13 VAL 15 3HG1 VAL 15 4.858 2.270 -3.845 121 HG21 VAL 15 3HG2 VAL 15 0.876 1.788 -2.418 122 HG22 VAL 15 1HG2 VAL 15 1.083 2.469 -4.031 123 HG23 VAL 15 2HG2 VAL 15 1.584 3.393 -2.616 124 H ABA 16 H ABU 16 4.659 -0.163 -5.361 125 HA ABA 16 HA ABU 16 6.350 -1.531 -3.396 126 HB3 ABA 16 1HB ABU 16 7.298 -2.733 -5.341 127 HB2 ABA 16 2HB ABU 16 6.138 -1.927 -6.386 128 HG1 ABA 16 1HG ABU 16 5.467 -3.847 -4.173 129 HG3 ABA 16 3HG ABU 16 4.305 -3.016 -5.206 130 HG2 ABA 16 2HG ABU 16 5.430 -4.184 -5.900 131 H ARG 17 H ARG 17 7.669 0.103 -2.774 132 HA ARG 17 HA ARG 17 9.066 1.492 -4.948 133 HB2 ARG 17 2HB ARG 17 7.599 2.969 -3.514 134 HB3 ARG 17 1HB ARG 17 8.648 2.585 -2.158 135 HG2 ARG 17 2HG ARG 17 10.549 3.562 -3.312 136 HG3 ARG 17 1HG ARG 17 9.533 3.912 -4.707 137 HD2 ARG 17 2HD ARG 17 9.775 5.926 -3.445 138 HD3 ARG 17 1HD ARG 17 8.127 5.351 -3.241 139 HE ARG 17 HE ARG 17 8.768 4.513 -1.063 140 HH11 ARG 17 1HH1 ARG 17 10.887 6.942 -2.559 141 HH12 ARG 17 2HH1 ARG 17 11.595 7.450 -1.112 142 HH21 ARG 17 1HH2 ARG 17 9.779 5.251 1.000 143 HH22 ARG 17 2HH2 ARG 17 10.939 6.477 0.935 144 H ARG 18 H ARG 18 10.932 0.656 -5.194 145 HA ARG 18 HA ARG 18 12.868 -0.385 -4.926 146 HB2 ARG 18 2HB ARG 18 13.406 1.866 -3.938 147 HB3 ARG 18 1HB ARG 18 13.090 1.196 -2.344 148 HG2 ARG 18 2HG ARG 18 15.466 1.229 -2.709 149 HG3 ARG 18 1HG ARG 18 14.910 -0.447 -2.719 150 HD2 ARG 18 2HD ARG 18 14.819 -0.255 -5.254 151 HD3 ARG 18 1HD ARG 18 15.678 1.269 -5.072 152 HE ARG 18 HE ARG 18 16.650 -1.387 -4.359 153 HH11 ARG 18 1HH1 ARG 18 17.360 2.013 -5.053 154 HH12 ARG 18 2HH1 ARG 18 19.045 1.784 -5.138 155 HH21 ARG 18 1HH2 ARG 18 18.959 -1.702 -4.572 156 HH22 ARG 18 2HH2 ARG 18 19.977 -0.375 -4.855 Start of MODEL 19 1 H1 GLY 1 H GLY 1 10.468 -0.429 -4.602 2 HA2 GLY 1 2HA GLY 1 10.655 -2.581 -5.373 3 HA3 GLY 1 1HA GLY 1 12.022 -2.755 -4.282 4 H VAL 2 H VAL 2 9.995 -1.565 -2.179 5 HA VAL 2 HA VAL 2 8.961 -4.210 -1.453 6 HB VAL 2 HB VAL 2 9.501 -1.794 0.296 7 HG11 VAL 2 1HG1 VAL 2 9.162 -3.352 2.162 8 HG12 VAL 2 2HG1 VAL 2 8.683 -4.597 1.004 9 HG13 VAL 2 3HG1 VAL 2 7.707 -3.139 1.186 10 HG21 VAL 2 3HG2 VAL 2 11.568 -2.762 -0.506 11 HG22 VAL 2 1HG2 VAL 2 11.047 -4.365 0.007 12 HG23 VAL 2 2HG2 VAL 2 11.364 -3.111 1.210 13 H ABA 3 H ABU 3 6.747 -4.434 -1.866 14 HA ABA 3 HA ABU 3 5.211 -2.097 -2.117 15 HB3 ABA 3 1HB ABU 3 5.039 -4.104 -3.595 16 HB2 ABA 3 2HB ABU 3 3.545 -3.523 -2.909 17 HG1 ABA 3 1HG ABU 3 3.511 -5.351 -1.318 18 HG3 ABA 3 3HG ABU 3 3.683 -5.994 -2.953 19 HG2 ABA 3 2HG ABU 3 5.080 -5.897 -1.872 20 H ARG 4 H ARG 4 3.974 -1.243 -0.691 21 HA ARG 4 HA ARG 4 3.457 -2.660 1.813 22 HB2 ARG 4 2HB ARG 4 3.530 0.307 1.221 23 HB3 ARG 4 1HB ARG 4 3.025 -0.375 2.767 24 HG2 ARG 4 2HG ARG 4 5.207 -1.403 3.052 25 HG3 ARG 4 1HG ARG 4 5.713 -0.778 1.488 26 HD2 ARG 4 2HD ARG 4 5.526 1.498 2.322 27 HD3 ARG 4 1HD ARG 4 4.945 0.892 3.882 28 HE ARG 4 HE ARG 4 7.219 -0.431 3.573 29 HH11 ARG 4 1HH1 ARG 4 6.548 3.054 3.455 30 HH12 ARG 4 2HH1 ARG 4 8.125 3.518 3.853 31 HH21 ARG 4 1HH2 ARG 4 9.384 0.214 4.141 32 HH22 ARG 4 2HH2 ARG 4 9.780 1.862 4.250 33 H CYS 5 H CYS 5 1.441 -3.174 2.295 34 HA CYS 5 HA CYS 5 -0.530 -2.536 0.231 35 HB2 CYS 5 2HB CYS 5 -0.436 -4.867 2.124 36 HB3 CYS 5 1HB CYS 5 -1.583 -4.626 0.803 37 H VAL 6 H VAL 6 -2.180 -1.376 0.683 38 HA VAL 6 HA VAL 6 -3.095 -1.117 3.454 39 HB VAL 6 HB VAL 6 -2.895 1.155 1.453 40 HG11 VAL 6 1HG1 VAL 6 -3.476 2.641 3.310 41 HG12 VAL 6 2HG1 VAL 6 -3.650 1.246 4.369 42 HG13 VAL 6 3HG1 VAL 6 -4.744 1.452 3.002 43 HG21 VAL 6 3HG2 VAL 6 -1.175 0.643 3.875 44 HG22 VAL 6 1HG2 VAL 6 -1.148 2.111 2.900 45 HG23 VAL 6 2HG2 VAL 6 -0.665 0.571 2.187 46 H ABA 7 H ABU 7 -5.317 -1.068 3.597 47 HA ABA 7 HA ABU 7 -6.783 -1.546 1.145 48 HB3 ABA 7 1HB ABU 7 -7.397 -3.090 2.878 49 HB2 ABA 7 2HB ABU 7 -8.748 -1.981 2.703 50 HG1 ABA 7 1HG ABU 7 -6.685 -1.894 4.881 51 HG3 ABA 7 3HG ABU 7 -8.012 -0.753 4.675 52 HG2 ABA 7 2HG ABU 7 -8.350 -2.450 5.030 53 H ARG 8 H ARG 8 -6.774 0.257 0.130 54 HA ARG 8 HA ARG 8 -7.819 2.675 1.420 55 HB2 ARG 8 2HB ARG 8 -5.527 2.772 0.435 56 HB3 ARG 8 1HB ARG 8 -6.213 2.352 -1.126 57 HG2 ARG 8 2HG ARG 8 -5.775 4.716 -1.034 58 HG3 ARG 8 1HG ARG 8 -7.517 4.446 -1.082 59 HD2 ARG 8 2HD ARG 8 -6.959 6.176 0.536 60 HD3 ARG 8 1HD ARG 8 -7.623 4.760 1.352 61 HE ARG 8 HE ARG 8 -4.774 4.717 1.218 62 HH11 ARG 8 1HH1 ARG 8 -7.493 6.028 3.092 63 HH12 ARG 8 2HH1 ARG 8 -6.544 6.329 4.469 64 HH21 ARG 8 1HH2 ARG 8 -3.518 5.130 3.172 65 HH22 ARG 8 2HH2 ARG 8 -4.308 5.831 4.509 66 H ARG 9 H ARG 9 -9.883 3.077 0.950 67 HA ARG 9 HA ARG 9 -11.872 3.254 -0.106 68 HB2 ARG 9 2HB ARG 9 -10.466 4.517 -1.767 69 HB3 ARG 9 1HB ARG 9 -10.209 3.030 -2.647 70 HG2 ARG 9 2HG ARG 9 -11.830 4.402 -3.790 71 HG3 ARG 9 1HG ARG 9 -12.623 2.957 -3.170 72 HD2 ARG 9 2HD ARG 9 -12.632 5.580 -1.704 73 HD3 ARG 9 1HD ARG 9 -13.850 5.177 -2.908 74 HE ARG 9 HE ARG 9 -14.078 3.100 -1.312 75 HH11 ARG 9 1HH1 ARG 9 -13.696 6.485 -0.415 76 HH12 ARG 9 2HH1 ARG 9 -14.743 6.403 0.927 77 HH21 ARG 9 1HH2 ARG 9 -15.476 2.961 0.595 78 HH22 ARG 9 2HH2 ARG 9 -15.752 4.355 1.523 79 H GLY 10 H GLY 10 -11.202 0.839 0.866 80 HA2 GLY 10 2HA GLY 10 -11.928 -1.313 0.926 81 HA3 GLY 10 1HA GLY 10 -12.932 -0.891 -0.457 82 H VAL 11 H VAL 11 -9.848 -0.177 -1.344 83 HA VAL 11 HA VAL 11 -9.529 -2.735 -2.706 84 HB VAL 11 HB VAL 11 -8.269 -0.045 -3.325 85 HG11 VAL 11 1HG1 VAL 11 -7.591 -1.054 -5.443 86 HG12 VAL 11 2HG1 VAL 11 -8.308 -2.583 -4.946 87 HG13 VAL 11 3HG1 VAL 11 -6.919 -1.940 -4.071 88 HG21 VAL 11 3HG2 VAL 11 -9.795 0.055 -5.247 89 HG22 VAL 11 1HG2 VAL 11 -10.672 0.034 -3.717 90 HG23 VAL 11 2HG2 VAL 11 -10.577 -1.429 -4.696 91 H ABA 12 H ABU 12 -8.144 -4.010 -1.656 92 HA ABA 12 HA ABU 12 -6.040 -2.906 -0.019 93 HB3 ABA 12 1HB ABU 12 -6.529 -5.783 -0.852 94 HB2 ABA 12 2HB ABU 12 -7.207 -5.047 0.595 95 HG1 ABA 12 1HG ABU 12 -5.263 -6.411 1.123 96 HG3 ABA 12 3HG ABU 12 -4.273 -5.425 0.043 97 HG2 ABA 12 2HG ABU 12 -4.974 -4.710 1.493 98 H ARG 13 H ARG 13 -4.721 -1.800 -1.273 99 HA ARG 13 HA ARG 13 -3.566 -3.186 -3.588 100 HB2 ARG 13 2HB ARG 13 -3.169 -0.979 -4.599 101 HB3 ARG 13 1HB ARG 13 -4.877 -1.259 -4.305 102 HG2 ARG 13 2HG ARG 13 -4.738 0.153 -2.289 103 HG3 ARG 13 1HG ARG 13 -3.036 0.448 -2.640 104 HD2 ARG 13 2HD ARG 13 -5.360 1.173 -4.424 105 HD3 ARG 13 1HD ARG 13 -4.455 2.293 -3.411 106 HE ARG 13 HE ARG 13 -2.740 0.894 -5.197 107 HH11 ARG 13 1HH1 ARG 13 -5.027 3.569 -5.092 108 HH12 ARG 13 2HH1 ARG 13 -4.351 4.379 -6.427 109 HH21 ARG 13 1HH2 ARG 13 -1.840 1.979 -7.046 110 HH22 ARG 13 2HH2 ARG 13 -2.525 3.454 -7.567 111 H CYS 14 H CYS 14 -1.336 -2.704 -4.025 112 HA CYS 14 HA CYS 14 0.106 -2.038 -1.574 113 HB2 CYS 14 2HB CYS 14 0.917 -4.068 -3.670 114 HB3 CYS 14 1HB CYS 14 1.701 -3.747 -2.127 115 H VAL 15 H VAL 15 1.451 -0.437 -1.753 116 HA VAL 15 HA VAL 15 2.159 0.469 -4.433 117 HB VAL 15 HB VAL 15 1.051 2.170 -3.192 118 HG11 VAL 15 1HG1 VAL 15 1.943 3.130 -1.080 119 HG12 VAL 15 2HG1 VAL 15 3.152 1.841 -1.048 120 HG13 VAL 15 3HG1 VAL 15 1.442 1.446 -0.907 121 HG21 VAL 15 3HG2 VAL 15 2.724 4.001 -3.179 122 HG22 VAL 15 1HG2 VAL 15 2.785 3.002 -4.631 123 HG23 VAL 15 2HG2 VAL 15 3.993 2.792 -3.363 124 H ABA 16 H ABU 16 4.133 0.530 -5.078 125 HA ABA 16 HA ABU 16 6.060 -1.034 -3.569 126 HB3 ABA 16 1HB ABU 16 7.348 -1.077 -5.666 127 HB2 ABA 16 2HB ABU 16 6.159 -0.015 -6.409 128 HG1 ABA 16 1HG ABU 16 5.644 -2.802 -5.398 129 HG3 ABA 16 3HG ABU 16 4.441 -1.727 -6.106 130 HG2 ABA 16 2HG ABU 16 5.792 -2.308 -7.084 131 H ARG 17 H ARG 17 7.201 0.027 -2.160 132 HA ARG 17 HA ARG 17 8.360 2.576 -2.957 133 HB2 ARG 17 2HB ARG 17 6.815 2.739 -1.044 134 HB3 ARG 17 1HB ARG 17 7.737 1.516 -0.189 135 HG2 ARG 17 2HG ARG 17 9.277 3.005 0.511 136 HG3 ARG 17 1HG ARG 17 9.296 3.853 -1.038 137 HD2 ARG 17 2HD ARG 17 7.096 4.085 1.023 138 HD3 ARG 17 1HD ARG 17 8.400 5.258 0.802 139 HE ARG 17 HE ARG 17 7.485 5.179 -1.635 140 HH11 ARG 17 1HH1 ARG 17 5.573 5.445 1.339 141 HH12 ARG 17 2HH1 ARG 17 4.256 6.214 0.576 142 HH21 ARG 17 1HH2 ARG 17 5.677 6.244 -2.663 143 HH22 ARG 17 2HH2 ARG 17 4.314 6.666 -1.733 144 H ARG 18 H ARG 18 10.233 2.171 -3.736 145 HA ARG 18 HA ARG 18 12.286 1.430 -4.129 146 HB2 ARG 18 2HB ARG 18 12.657 2.663 -1.980 147 HB3 ARG 18 1HB ARG 18 12.469 1.151 -1.115 148 HG2 ARG 18 2HG ARG 18 14.457 0.253 -2.135 149 HG3 ARG 18 1HG ARG 18 14.616 1.684 -3.158 150 HD2 ARG 18 2HD ARG 18 16.129 1.742 -1.219 151 HD3 ARG 18 1HD ARG 18 14.973 3.071 -1.220 152 HE ARG 18 HE ARG 18 14.149 0.767 0.283 153 HH11 ARG 18 1HH1 ARG 18 15.880 3.843 0.419 154 HH12 ARG 18 2HH1 ARG 18 15.706 4.018 2.101 155 HH21 ARG 18 1HH2 ARG 18 13.890 1.037 2.595 156 HH22 ARG 18 2HH2 ARG 18 14.554 2.416 3.351 Start of MODEL 20 1 H1 GLY 1 H GLY 1 11.420 -1.547 -4.098 2 HA2 GLY 1 2HA GLY 1 11.194 -3.761 -3.683 3 HA3 GLY 1 1HA GLY 1 12.478 -3.580 -2.500 4 H VAL 2 H VAL 2 10.280 -1.351 -1.580 5 HA VAL 2 HA VAL 2 9.151 -3.161 0.385 6 HB VAL 2 HB VAL 2 8.988 -0.136 0.245 7 HG11 VAL 2 1HG1 VAL 2 8.388 -2.031 2.510 8 HG12 VAL 2 2HG1 VAL 2 7.195 -1.152 1.556 9 HG13 VAL 2 3HG1 VAL 2 8.314 -0.271 2.597 10 HG21 VAL 2 3HG2 VAL 2 11.294 -0.835 0.503 11 HG22 VAL 2 1HG2 VAL 2 10.846 -1.895 1.839 12 HG23 VAL 2 2HG2 VAL 2 10.694 -0.150 2.012 13 H ABA 3 H ABU 3 7.273 -4.010 -0.027 14 HA ABA 3 HA ABU 3 5.461 -2.746 -1.923 15 HB3 ABA 3 1HB ABU 3 5.378 -5.512 -0.679 16 HB2 ABA 3 2HB ABU 3 6.056 -5.143 -2.258 17 HG1 ABA 3 1HG ABU 3 3.848 -4.442 -3.043 18 HG3 ABA 3 3HG ABU 3 3.833 -6.106 -2.459 19 HG2 ABA 3 2HG ABU 3 3.172 -4.814 -1.457 20 H ARG 4 H ARG 4 4.408 -1.230 -0.839 21 HA ARG 4 HA ARG 4 3.308 -1.811 1.799 22 HB2 ARG 4 2HB ARG 4 3.379 0.769 0.219 23 HB3 ARG 4 1HB ARG 4 2.766 0.597 1.856 24 HG2 ARG 4 2HG ARG 4 5.021 -0.062 2.600 25 HG3 ARG 4 1HG ARG 4 5.611 0.191 0.956 26 HD2 ARG 4 2HD ARG 4 4.965 2.525 1.058 27 HD3 ARG 4 1HD ARG 4 4.311 2.300 2.675 28 HE ARG 4 HE ARG 4 7.152 1.815 2.117 29 HH11 ARG 4 1HH1 ARG 4 4.660 3.547 3.970 30 HH12 ARG 4 2HH1 ARG 4 5.784 4.388 4.939 31 HH21 ARG 4 1HH2 ARG 4 8.673 2.976 3.513 32 HH22 ARG 4 2HH2 ARG 4 8.079 4.049 4.695 33 H CYS 5 H CYS 5 1.357 -2.678 1.808 34 HA CYS 5 HA CYS 5 -0.468 -2.066 -0.394 35 HB2 CYS 5 2HB CYS 5 -0.480 -4.367 1.547 36 HB3 CYS 5 1HB CYS 5 -1.711 -4.078 0.325 37 H VAL 6 H VAL 6 -1.982 -0.746 -0.028 38 HA VAL 6 HA VAL 6 -2.974 -0.479 2.690 39 HB VAL 6 HB VAL 6 -1.689 1.426 2.212 40 HG11 VAL 6 1HG1 VAL 6 -2.198 3.015 0.356 41 HG12 VAL 6 2HG1 VAL 6 -3.390 1.867 -0.259 42 HG13 VAL 6 3HG1 VAL 6 -1.687 1.432 -0.233 43 HG21 VAL 6 3HG2 VAL 6 -3.356 3.250 2.476 44 HG22 VAL 6 1HG2 VAL 6 -3.634 1.847 3.513 45 HG23 VAL 6 2HG2 VAL 6 -4.616 2.075 2.074 46 H ABA 7 H ABU 7 -4.935 -0.791 2.954 47 HA ABA 7 HA ABU 7 -6.692 -1.122 0.626 48 HB3 ABA 7 1HB ABU 7 -7.068 -2.172 3.448 49 HB2 ABA 7 2HB ABU 7 -6.466 -3.114 2.089 50 HG1 ABA 7 1HG ABU 7 -8.591 -2.868 0.944 51 HG3 ABA 7 3HG ABU 7 -8.820 -3.583 2.539 52 HG2 ABA 7 2HG ABU 7 -9.203 -1.883 2.266 53 H ARG 8 H ARG 8 -7.814 0.534 0.175 54 HA ARG 8 HA ARG 8 -8.759 2.214 2.366 55 HB2 ARG 8 2HB ARG 8 -8.090 3.003 -0.464 56 HB3 ARG 8 1HB ARG 8 -8.749 4.092 0.750 57 HG2 ARG 8 2HG ARG 8 -6.732 3.761 2.113 58 HG3 ARG 8 1HG ARG 8 -6.102 2.676 0.871 59 HD2 ARG 8 2HD ARG 8 -6.746 5.594 0.493 60 HD3 ARG 8 1HD ARG 8 -5.134 4.916 0.696 61 HE ARG 8 HE ARG 8 -6.402 3.636 -1.445 62 HH11 ARG 8 1HH1 ARG 8 -4.882 6.716 -0.626 63 HH12 ARG 8 2HH1 ARG 8 -4.639 7.170 -2.260 64 HH21 ARG 8 1HH2 ARG 8 -6.027 4.268 -3.677 65 HH22 ARG 8 2HH2 ARG 8 -5.278 5.776 -3.983 66 H ARG 9 H ARG 9 -10.776 1.659 2.709 67 HA ARG 9 HA ARG 9 -12.993 1.349 2.476 68 HB2 ARG 9 2HB ARG 9 -12.689 3.559 1.240 69 HB3 ARG 9 1HB ARG 9 -12.709 2.639 -0.249 70 HG2 ARG 9 2HG ARG 9 -14.860 3.683 0.143 71 HG3 ARG 9 1HG ARG 9 -15.010 1.928 0.248 72 HD2 ARG 9 2HD ARG 9 -15.182 1.977 2.579 73 HD3 ARG 9 1HD ARG 9 -14.578 3.632 2.680 74 HE ARG 9 HE ARG 9 -16.799 3.925 1.243 75 HH11 ARG 9 1HH1 ARG 9 -16.254 2.240 4.302 76 HH12 ARG 9 2HH1 ARG 9 -17.787 2.606 4.938 77 HH21 ARG 9 1HH2 ARG 9 -18.887 4.457 2.124 78 HH22 ARG 9 2HH2 ARG 9 -19.312 3.905 3.674 79 H GLY 10 H GLY 10 -11.330 -0.705 1.805 80 HA2 GLY 10 2HA GLY 10 -11.770 -2.891 1.154 81 HA3 GLY 10 1HA GLY 10 -13.067 -2.232 0.170 82 H VAL 11 H VAL 11 -10.782 -0.292 -0.795 83 HA VAL 11 HA VAL 11 -10.019 -2.014 -3.009 84 HB VAL 11 HB VAL 11 -9.538 0.960 -2.614 85 HG11 VAL 11 1HG1 VAL 11 -9.059 1.001 -5.025 86 HG12 VAL 11 2HG1 VAL 11 -9.239 -0.754 -5.079 87 HG13 VAL 11 3HG1 VAL 11 -7.926 -0.030 -4.150 88 HG21 VAL 11 3HG2 VAL 11 -11.645 -0.451 -4.251 89 HG22 VAL 11 1HG2 VAL 11 -11.364 1.289 -4.229 90 HG23 VAL 11 2HG2 VAL 11 -11.923 0.462 -2.773 91 H ABA 12 H ABU 12 -8.278 -3.206 -2.628 92 HA ABA 12 HA ABU 12 -6.171 -2.223 -0.862 93 HB3 ABA 12 1HB ABU 12 -6.472 -4.940 -2.179 94 HB2 ABA 12 2HB ABU 12 -7.050 -4.544 -0.565 95 HG1 ABA 12 1HG ABU 12 -4.938 -5.757 -0.482 96 HG3 ABA 12 3HG ABU 12 -4.172 -4.494 -1.450 97 HG2 ABA 12 2HG ABU 12 -4.766 -4.127 0.167 98 H ARG 13 H ARG 13 -4.511 -1.193 -1.653 99 HA ARG 13 HA ARG 13 -3.683 -1.785 -4.403 100 HB2 ARG 13 2HB ARG 13 -4.877 0.371 -4.252 101 HB3 ARG 13 1HB ARG 13 -3.739 0.899 -3.025 102 HG2 ARG 13 2HG ARG 13 -1.952 0.923 -4.603 103 HG3 ARG 13 1HG ARG 13 -2.977 0.164 -5.825 104 HD2 ARG 13 2HD ARG 13 -3.420 2.884 -4.605 105 HD3 ARG 13 1HD ARG 13 -2.772 2.570 -6.220 106 HE ARG 13 HE ARG 13 -5.523 2.187 -5.308 107 HH11 ARG 13 1HH1 ARG 13 -3.197 1.970 -7.982 108 HH12 ARG 13 2HH1 ARG 13 -4.388 1.911 -9.191 109 HH21 ARG 13 1HH2 ARG 13 -7.147 2.038 -6.976 110 HH22 ARG 13 2HH2 ARG 13 -6.683 1.913 -8.604 111 H CYS 14 H CYS 14 -1.498 -1.993 -4.704 112 HA CYS 14 HA CYS 14 0.143 -1.764 -2.277 113 HB2 CYS 14 2HB CYS 14 0.341 -3.885 -4.404 114 HB3 CYS 14 1HB CYS 14 1.406 -3.713 -3.019 115 H VAL 15 H VAL 15 1.658 -0.369 -2.469 116 HA VAL 15 HA VAL 15 2.749 0.174 -5.118 117 HB VAL 15 HB VAL 15 1.791 2.147 -4.220 118 HG11 VAL 15 1HG1 VAL 15 2.576 3.227 -2.115 119 HG12 VAL 15 2HG1 VAL 15 3.570 1.804 -1.797 120 HG13 VAL 15 3HG1 VAL 15 1.814 1.660 -1.834 121 HG21 VAL 15 3HG2 VAL 15 3.801 2.488 -5.500 122 HG22 VAL 15 1HG2 VAL 15 4.794 2.323 -4.053 123 HG23 VAL 15 2HG2 VAL 15 3.709 3.704 -4.230 124 H ABA 16 H ABU 16 4.703 -0.212 -5.557 125 HA ABA 16 HA ABU 16 6.389 -1.344 -3.447 126 HB3 ABA 16 1HB ABU 16 7.571 -2.495 -5.270 127 HB2 ABA 16 2HB ABU 16 6.471 -1.771 -6.428 128 HG1 ABA 16 1HG ABU 16 4.598 -2.965 -5.421 129 HG3 ABA 16 3HG ABU 16 5.856 -4.070 -5.976 130 HG2 ABA 16 2HG ABU 16 5.698 -3.707 -4.256 131 H ARG 17 H ARG 17 7.853 0.023 -2.784 132 HA ARG 17 HA ARG 17 9.313 1.597 -4.778 133 HB2 ARG 17 2HB ARG 17 7.686 3.093 -3.688 134 HB3 ARG 17 1HB ARG 17 8.317 2.631 -2.116 135 HG2 ARG 17 2HG ARG 17 10.490 3.613 -2.717 136 HG3 ARG 17 1HG ARG 17 9.819 4.116 -4.269 137 HD2 ARG 17 2HD ARG 17 9.810 5.946 -2.648 138 HD3 ARG 17 1HD ARG 17 8.166 5.497 -3.111 139 HE ARG 17 HE ARG 17 9.137 4.174 -0.773 140 HH11 ARG 17 1HH1 ARG 17 7.622 7.165 -1.901 141 HH12 ARG 17 2HH1 ARG 17 6.824 7.465 -0.422 142 HH21 ARG 17 1HH2 ARG 17 8.031 4.609 1.246 143 HH22 ARG 17 2HH2 ARG 17 7.054 6.009 1.374 144 H ARG 18 H ARG 18 11.371 1.042 -4.654 145 HA ARG 18 HA ARG 18 13.348 0.280 -3.957 146 HB2 ARG 18 2HB ARG 18 13.243 2.395 -2.600 147 HB3 ARG 18 1HB ARG 18 12.559 1.476 -1.272 148 HG2 ARG 18 2HG ARG 18 14.630 0.193 -1.082 149 HG3 ARG 18 1HG ARG 18 15.318 1.085 -2.436 150 HD2 ARG 18 2HD ARG 18 16.090 1.961 -0.283 151 HD3 ARG 18 1HD ARG 18 15.152 3.159 -1.177 152 HE ARG 18 HE ARG 18 13.510 1.681 0.600 153 HH11 ARG 18 1HH1 ARG 18 15.925 4.247 0.615 154 HH12 ARG 18 2HH1 ARG 18 15.298 5.047 1.977 155 HH21 ARG 18 1HH2 ARG 18 12.609 2.783 2.459 156 HH22 ARG 18 2HH2 ARG 18 13.359 4.188 3.061
Contact the webmaster for help, if required. Tuesday, May 14, 2024 5:52:47 PM GMT (wattos1)