NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11396 | 1rg3 | 6040 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1HT GLY 1 -12.121 2.795 -2.371 2 2H GLY 1 2HT GLY 1 -12.019 2.323 -0.750 3 3H GLY 1 3HT GLY 1 -12.469 1.199 -1.931 4 1HA GLY 1 1HA GLY 1 -10.379 0.731 -2.491 5 2HA GLY 1 2HA GLY 1 -9.945 2.433 -2.497 6 H ARG 2 H ARG 2 -8.196 2.632 -1.260 7 HA ARG 2 HA ARG 2 -6.838 2.619 0.562 8 1HB ARG 2 2HB ARG 2 -9.553 2.426 1.699 9 2HB ARG 2 1HB ARG 2 -8.260 1.894 2.766 10 1HG ARG 2 2HG ARG 2 -8.240 4.072 3.336 11 2HG ARG 2 1HG ARG 2 -7.200 4.201 1.915 12 1HD ARG 2 2HD ARG 2 -10.182 4.495 1.730 13 2HD ARG 2 1HD ARG 2 -9.139 5.858 2.132 14 HE ARG 2 HE ARG 2 -8.288 4.500 -0.233 15 1HH1 ARG 2 1HH1 ARG 2 -10.560 6.845 0.998 16 2HH1 ARG 2 2HH1 ARG 2 -10.738 7.657 -0.521 17 1HH2 ARG 2 1HH2 ARG 2 -8.521 5.567 -2.234 18 2HH2 ARG 2 2HH2 ARG 2 -9.581 6.931 -2.356 19 H MET 3 H MET 3 -5.351 1.160 1.068 20 HA MET 3 HA MET 3 -4.297 -0.851 1.257 21 1HB MET 3 2HB MET 3 -6.520 -2.145 2.695 22 2HB MET 3 1HB MET 3 -4.842 -1.935 3.169 23 1HG MET 3 2HG MET 3 -7.040 0.107 3.368 24 2HG MET 3 1HG MET 3 -6.285 -0.769 4.697 25 1HE MET 3 1HE MET 3 -4.619 2.226 5.868 26 2HE MET 3 2HE MET 3 -6.018 1.156 5.948 27 3HE MET 3 3HE MET 3 -6.102 2.650 5.013 28 H LEU 4 H LEU 4 -5.184 -0.798 -1.175 29 HA LEU 4 HA LEU 4 -5.610 -3.454 -1.879 30 1HB LEU 4 2HB LEU 4 -7.963 -2.312 -1.095 31 2HB LEU 4 1HB LEU 4 -8.001 -2.115 -2.836 32 HG LEU 4 HG LEU 4 -9.141 -4.148 -2.279 33 1HD1 LEU 4 1HD1 LEU 4 -8.208 -5.425 -3.890 34 2HD1 LEU 4 2HD1 LEU 4 -6.595 -5.330 -3.184 35 3HD1 LEU 4 3HD1 LEU 4 -7.218 -3.987 -4.143 36 1HD2 LEU 4 1HD2 LEU 4 -8.008 -4.436 -0.067 37 2HD2 LEU 4 2HD2 LEU 4 -6.624 -5.105 -0.931 38 3HD2 LEU 4 3HD2 LEU 4 -8.186 -5.920 -1.002 39 HA PRO 5 HA PRO 5 -5.683 -0.777 -5.787 40 1HB PRO 5 2HB PRO 5 -6.166 1.975 -4.950 41 2HB PRO 5 1HB PRO 5 -7.169 0.941 -5.975 42 1HG PRO 5 2HG PRO 5 -8.002 1.654 -3.516 43 2HG PRO 5 1HG PRO 5 -8.317 0.025 -4.156 44 1HD PRO 5 2HD PRO 5 -6.050 0.895 -2.390 45 2HD PRO 5 1HD PRO 5 -7.252 -0.392 -2.104 46 H GLN 6 H GLN 6 -4.111 0.166 -2.928 47 HA GLN 6 HA GLN 6 -1.784 1.076 -4.464 48 1HB GLN 6 2HB GLN 6 -3.014 2.977 -3.334 49 2HB GLN 6 1HB GLN 6 -2.577 2.243 -1.797 50 1HG GLN 6 2HG GLN 6 -0.249 2.551 -2.235 51 2HG GLN 6 1HG GLN 6 -0.582 3.086 -3.881 52 1HE2 GLN 6 1HE2 GLN 6 0.821 4.429 -1.686 53 2HE2 GLN 6 2HE2 GLN 6 0.003 5.934 -1.456 54 H LEU 7 H LEU 7 -2.947 -1.324 -2.599 55 HA LEU 7 HA LEU 7 -1.123 -1.698 -0.534 56 1HB LEU 7 2HB LEU 7 -3.107 -3.055 -0.732 57 2HB LEU 7 1HB LEU 7 -2.549 -3.722 -2.254 58 HG LEU 7 HG LEU 7 -0.827 -4.142 0.134 59 1HD1 LEU 7 1HD1 LEU 7 -3.583 -5.180 -0.165 60 2HD1 LEU 7 2HD1 LEU 7 -2.641 -4.857 1.291 61 3HD1 LEU 7 3HD1 LEU 7 -2.340 -6.320 0.352 62 1HD2 LEU 7 1HD2 LEU 7 0.027 -5.832 -1.086 63 2HD2 LEU 7 2HD2 LEU 7 -0.688 -4.952 -2.436 64 3HD2 LEU 7 3HD2 LEU 7 -1.547 -6.314 -1.719 65 H VAL 8 H VAL 8 -0.674 -1.969 -3.928 66 HA VAL 8 HA VAL 8 1.734 -3.567 -3.689 67 HB VAL 8 HB VAL 8 1.782 -2.713 -6.277 68 1HG1 VAL 8 1HG1 VAL 8 1.183 -4.894 -6.849 69 2HG1 VAL 8 2HG1 VAL 8 0.112 -5.064 -5.458 70 3HG1 VAL 8 3HG1 VAL 8 1.861 -5.042 -5.229 71 1HG2 VAL 8 1HG2 VAL 8 -0.381 -2.649 -7.217 72 2HG2 VAL 8 2HG2 VAL 8 -0.433 -1.549 -5.840 73 3HG2 VAL 8 3HG2 VAL 8 -1.138 -3.159 -5.708 74 H CYS 9 H CYS 9 1.062 -0.493 -5.289 75 HA CYS 9 HA CYS 9 3.688 0.401 -5.370 76 1HB CYS 9 2HB CYS 9 1.039 1.811 -5.381 77 2HB CYS 9 1HB CYS 9 2.516 2.761 -5.256 78 HG CYS 9 HG CYS 9 3.094 2.229 -7.626 79 H ARG 10 H ARG 10 1.288 0.613 -2.770 80 HA ARG 10 HA ARG 10 2.983 2.235 -1.173 81 1HB ARG 10 2HB ARG 10 0.621 2.074 -0.555 82 2HB ARG 10 1HB ARG 10 0.837 0.361 -0.193 83 1HG ARG 10 2HG ARG 10 2.860 1.824 1.203 84 2HG ARG 10 1HG ARG 10 1.285 2.590 1.509 85 1HD ARG 10 2HD ARG 10 1.517 -0.382 1.678 86 2HD ARG 10 1HD ARG 10 2.116 0.607 3.010 87 HE ARG 10 HE ARG 10 -0.638 0.174 2.253 88 1HH1 ARG 10 1HH1 ARG 10 1.597 2.177 4.041 89 2HH1 ARG 10 2HH1 ARG 10 0.383 2.789 5.112 90 1HH2 ARG 10 1HH2 ARG 10 -2.230 0.979 3.664 91 2HH2 ARG 10 2HH2 ARG 10 -1.790 2.108 4.901 92 H LEU 11 H LEU 11 2.472 -1.223 -1.414 93 HA LEU 11 HA LEU 11 3.907 -2.407 0.426 94 1HB LEU 11 2HB LEU 11 3.075 -3.224 -2.011 95 2HB LEU 11 1HB LEU 11 4.808 -3.180 -2.278 96 HG LEU 11 HG LEU 11 3.525 -4.704 -0.015 97 1HD1 LEU 11 1HD1 LEU 11 2.736 -5.571 -2.166 98 2HD1 LEU 11 2HD1 LEU 11 3.816 -6.706 -1.358 99 3HD1 LEU 11 3HD1 LEU 11 4.406 -5.736 -2.706 100 1HD2 LEU 11 1HD2 LEU 11 6.172 -5.349 -1.194 101 2HD2 LEU 11 2HD2 LEU 11 5.596 -5.528 0.464 102 3HD2 LEU 11 3HD2 LEU 11 6.053 -3.936 -0.145 103 H VAL 12 H VAL 12 5.114 -0.514 -2.239 104 HA VAL 12 HA VAL 12 7.818 -0.804 -1.527 105 HB VAL 12 HB VAL 12 6.550 1.561 -2.910 106 1HG1 VAL 12 1HG1 VAL 12 8.712 2.182 -2.158 107 2HG1 VAL 12 2HG1 VAL 12 8.861 1.823 -3.878 108 3HG1 VAL 12 3HG1 VAL 12 9.410 0.649 -2.681 109 1HG2 VAL 12 1HG2 VAL 12 6.482 -0.964 -3.856 110 2HG2 VAL 12 2HG2 VAL 12 8.036 -0.428 -4.496 111 3HG2 VAL 12 3HG2 VAL 12 6.566 0.467 -4.883 112 H LEU 13 H LEU 13 5.359 1.588 -0.901 113 HA LEU 13 HA LEU 13 6.929 2.799 1.159 114 1HB LEU 13 2HB LEU 13 4.130 3.581 1.078 115 2HB LEU 13 1HB LEU 13 5.591 4.554 1.162 116 HG LEU 13 HG LEU 13 4.594 3.256 -1.377 117 1HD1 LEU 13 1HD1 LEU 13 4.426 6.179 -0.986 118 2HD1 LEU 13 2HD1 LEU 13 3.229 5.191 -0.149 119 3HD1 LEU 13 3HD1 LEU 13 3.383 5.093 -1.903 120 1HD2 LEU 13 1HD2 LEU 13 7.086 4.104 -0.833 121 2HD2 LEU 13 2HD2 LEU 13 6.363 5.612 -1.391 122 3HD2 LEU 13 3HD2 LEU 13 6.353 4.191 -2.435 123 H ARG 14 H ARG 14 5.340 -0.015 1.125 124 HA ARG 14 HA ARG 14 3.906 0.085 3.550 125 1HB ARG 14 2HB ARG 14 3.448 -1.784 2.144 126 2HB ARG 14 1HB ARG 14 5.152 -2.202 2.031 127 1HG ARG 14 2HG ARG 14 3.932 -2.221 4.726 128 2HG ARG 14 1HG ARG 14 3.449 -3.497 3.606 129 1HD ARG 14 2HD ARG 14 6.346 -2.871 3.926 130 2HD ARG 14 1HD ARG 14 5.529 -3.792 5.188 131 HE ARG 14 HE ARG 14 4.857 -5.030 2.831 132 1HH1 ARG 14 1HH1 ARG 14 7.823 -4.270 4.505 133 2HH1 ARG 14 2HH1 ARG 14 8.676 -5.640 3.878 134 1HH2 ARG 14 1HH2 ARG 14 5.977 -6.835 2.006 135 2HH2 ARG 14 2HH2 ARG 14 7.628 -7.096 2.459 136 H CYS 15 H CYS 15 7.086 -0.495 2.398 137 HA CYS 15 HA CYS 15 8.317 -0.885 5.010 138 1HB CYS 15 2HB CYS 15 8.919 -1.576 2.306 139 2HB CYS 15 1HB CYS 15 10.220 -0.567 2.908 140 HG CYS 15 HG CYS 15 9.648 -2.784 4.860 141 H SER 16 H SER 16 7.555 1.604 2.802 142 HA SER 16 HA SER 16 9.328 3.484 2.597 143 1HB SER 16 2HB SER 16 7.273 4.330 2.054 144 2HB SER 16 1HB SER 16 6.519 3.743 3.534 145 HG SER 16 HG SER 16 6.738 6.009 3.546 Start of MODEL 2 1 1H GLY 1 1HT GLY 1 -12.927 0.309 -1.694 2 2H GLY 1 2HT GLY 1 -12.513 1.924 -1.983 3 3H GLY 1 3HT GLY 1 -12.009 1.165 -0.559 4 1HA GLY 1 1HA GLY 1 -11.024 -0.461 -2.505 5 2HA GLY 1 2HA GLY 1 -10.809 1.153 -3.162 6 H ARG 2 H ARG 2 -10.624 -0.067 0.175 7 HA ARG 2 HA ARG 2 -8.076 1.312 0.488 8 1HB ARG 2 2HB ARG 2 -10.059 0.100 2.384 9 2HB ARG 2 1HB ARG 2 -8.419 0.434 2.920 10 1HG ARG 2 2HG ARG 2 -10.036 2.231 3.454 11 2HG ARG 2 1HG ARG 2 -8.677 2.770 2.466 12 1HD ARG 2 2HD ARG 2 -11.137 1.862 1.074 13 2HD ARG 2 1HD ARG 2 -11.186 3.420 1.895 14 HE ARG 2 HE ARG 2 -8.868 3.294 0.317 15 1HH1 ARG 2 1HH1 ARG 2 -12.335 3.486 -0.037 16 2HH1 ARG 2 2HH1 ARG 2 -12.260 4.316 -1.554 17 1HH2 ARG 2 1HH2 ARG 2 -8.767 4.388 -1.678 18 2HH2 ARG 2 2HH2 ARG 2 -10.234 4.828 -2.488 19 H MET 3 H MET 3 -6.145 0.331 0.725 20 HA MET 3 HA MET 3 -4.552 -1.288 0.608 21 1HB MET 3 2HB MET 3 -6.541 -3.096 1.976 22 2HB MET 3 1HB MET 3 -4.786 -3.182 2.039 23 1HG MET 3 2HG MET 3 -5.807 -0.630 2.964 24 2HG MET 3 1HG MET 3 -6.438 -1.990 3.889 25 1HE MET 3 1HE MET 3 -4.882 0.446 4.590 26 2HE MET 3 2HE MET 3 -3.132 0.417 4.374 27 3HE MET 3 3HE MET 3 -3.843 -0.137 5.891 28 H LEU 4 H LEU 4 -5.336 -1.116 -1.751 29 HA LEU 4 HA LEU 4 -5.357 -3.724 -2.818 30 1HB LEU 4 2HB LEU 4 -7.866 -2.830 -2.213 31 2HB LEU 4 1HB LEU 4 -7.706 -2.409 -3.907 32 HG LEU 4 HG LEU 4 -6.799 -5.105 -3.517 33 1HD1 LEU 4 1HD1 LEU 4 -9.275 -5.864 -3.018 34 2HD1 LEU 4 2HD1 LEU 4 -9.313 -4.342 -2.128 35 3HD1 LEU 4 3HD1 LEU 4 -8.119 -5.574 -1.718 36 1HD2 LEU 4 1HD2 LEU 4 -7.979 -5.464 -5.418 37 2HD2 LEU 4 2HD2 LEU 4 -7.921 -3.704 -5.495 38 3HD2 LEU 4 3HD2 LEU 4 -9.360 -4.513 -4.873 39 HA PRO 5 HA PRO 5 -5.164 -0.581 -6.366 40 1HB PRO 5 2HB PRO 5 -5.941 2.007 -5.246 41 2HB PRO 5 1HB PRO 5 -6.711 1.085 -6.544 42 1HG PRO 5 2HG PRO 5 -7.946 1.375 -4.181 43 2HG PRO 5 1HG PRO 5 -8.012 -0.173 -5.055 44 1HD PRO 5 2HD PRO 5 -6.101 0.620 -2.879 45 2HD PRO 5 1HD PRO 5 -7.215 -0.773 -2.921 46 H GLN 6 H GLN 6 -4.062 0.154 -3.222 47 HA GLN 6 HA GLN 6 -1.602 1.322 -4.317 48 1HB GLN 6 2HB GLN 6 -3.157 2.987 -3.144 49 2HB GLN 6 1HB GLN 6 -2.762 2.134 -1.658 50 1HG GLN 6 2HG GLN 6 -0.341 2.591 -2.177 51 2HG GLN 6 1HG GLN 6 -0.907 3.663 -3.457 52 1HE2 GLN 6 1HE2 GLN 6 -2.867 5.068 -2.495 53 2HE2 GLN 6 2HE2 GLN 6 -2.431 5.937 -1.066 54 H LEU 7 H LEU 7 -2.910 -1.282 -2.842 55 HA LEU 7 HA LEU 7 -1.280 -1.787 -0.627 56 1HB LEU 7 2HB LEU 7 -3.287 -3.067 -1.083 57 2HB LEU 7 1HB LEU 7 -2.586 -3.692 -2.563 58 HG LEU 7 HG LEU 7 -1.207 -4.236 0.031 59 1HD1 LEU 7 1HD1 LEU 7 -3.154 -5.087 0.807 60 2HD1 LEU 7 2HD1 LEU 7 -2.691 -6.451 -0.211 61 3HD1 LEU 7 3HD1 LEU 7 -3.848 -5.260 -0.804 62 1HD2 LEU 7 1HD2 LEU 7 -1.108 -6.485 -1.469 63 2HD2 LEU 7 2HD2 LEU 7 0.090 -5.192 -1.541 64 3HD2 LEU 7 3HD2 LEU 7 -1.213 -5.255 -2.729 65 H VAL 8 H VAL 8 -0.664 -2.030 -4.016 66 HA VAL 8 HA VAL 8 1.751 -3.593 -3.669 67 HB VAL 8 HB VAL 8 0.764 -2.274 -6.190 68 1HG1 VAL 8 1HG1 VAL 8 2.123 -4.035 -7.282 69 2HG1 VAL 8 2HG1 VAL 8 2.704 -4.529 -5.693 70 3HG1 VAL 8 3HG1 VAL 8 3.083 -2.920 -6.308 71 1HG2 VAL 8 1HG2 VAL 8 0.139 -4.866 -6.542 72 2HG2 VAL 8 2HG2 VAL 8 -0.996 -3.666 -5.925 73 3HG2 VAL 8 3HG2 VAL 8 -0.132 -4.720 -4.806 74 H CYS 9 H CYS 9 1.037 -0.523 -5.249 75 HA CYS 9 HA CYS 9 3.639 0.434 -5.324 76 1HB CYS 9 2HB CYS 9 0.958 1.786 -5.299 77 2HB CYS 9 1HB CYS 9 2.417 2.763 -5.179 78 HG CYS 9 HG CYS 9 2.296 0.872 -7.595 79 H ARG 10 H ARG 10 1.255 0.532 -2.701 80 HA ARG 10 HA ARG 10 2.944 2.177 -1.111 81 1HB ARG 10 2HB ARG 10 0.507 1.853 -0.565 82 2HB ARG 10 1HB ARG 10 0.946 0.255 0.044 83 1HG ARG 10 2HG ARG 10 2.792 1.697 1.343 84 2HG ARG 10 1HG ARG 10 1.543 2.937 1.155 85 1HD ARG 10 2HD ARG 10 1.077 1.914 3.220 86 2HD ARG 10 1HD ARG 10 -0.100 1.246 2.093 87 HE ARG 10 HE ARG 10 2.203 -0.406 2.256 88 1HH1 ARG 10 1HH1 ARG 10 -0.693 0.472 3.993 89 2HH1 ARG 10 2HH1 ARG 10 -0.810 -1.045 4.820 90 1HH2 ARG 10 1HH2 ARG 10 2.050 -2.409 3.346 91 2HH2 ARG 10 2HH2 ARG 10 0.748 -2.680 4.453 92 H LEU 11 H LEU 11 2.481 -1.284 -1.381 93 HA LEU 11 HA LEU 11 3.955 -2.457 0.442 94 1HB LEU 11 2HB LEU 11 3.127 -3.247 -2.020 95 2HB LEU 11 1HB LEU 11 4.862 -3.200 -2.264 96 HG LEU 11 HG LEU 11 3.504 -4.772 -0.075 97 1HD1 LEU 11 1HD1 LEU 11 2.820 -5.845 -2.026 98 2HD1 LEU 11 2HD1 LEU 11 4.277 -6.720 -1.556 99 3HD1 LEU 11 3HD1 LEU 11 4.345 -5.524 -2.851 100 1HD2 LEU 11 1HD2 LEU 11 6.248 -5.320 -1.073 101 2HD2 LEU 11 2HD2 LEU 11 5.559 -5.555 0.533 102 3HD2 LEU 11 3HD2 LEU 11 6.011 -3.937 -0.003 103 H VAL 12 H VAL 12 5.096 -0.509 -2.213 104 HA VAL 12 HA VAL 12 7.813 -0.748 -1.539 105 HB VAL 12 HB VAL 12 6.564 1.677 -2.813 106 1HG1 VAL 12 1HG1 VAL 12 8.759 2.239 -2.402 107 2HG1 VAL 12 2HG1 VAL 12 8.873 1.559 -4.026 108 3HG1 VAL 12 3HG1 VAL 12 9.335 0.588 -2.629 109 1HG2 VAL 12 1HG2 VAL 12 5.788 -0.225 -4.064 110 2HG2 VAL 12 2HG2 VAL 12 7.418 -0.898 -4.128 111 3HG2 VAL 12 3HG2 VAL 12 7.045 0.591 -4.996 112 H LEU 13 H LEU 13 5.309 1.580 -0.860 113 HA LEU 13 HA LEU 13 6.870 2.818 1.195 114 1HB LEU 13 2HB LEU 13 4.049 3.514 1.157 115 2HB LEU 13 1HB LEU 13 5.481 4.527 1.232 116 HG LEU 13 HG LEU 13 4.549 3.217 -1.321 117 1HD1 LEU 13 1HD1 LEU 13 3.918 5.781 -1.697 118 2HD1 LEU 13 2HD1 LEU 13 3.610 5.667 0.037 119 3HD1 LEU 13 3HD1 LEU 13 2.770 4.592 -1.081 120 1HD2 LEU 13 1HD2 LEU 13 6.049 4.671 -2.404 121 2HD2 LEU 13 2HD2 LEU 13 6.942 4.019 -1.030 122 3HD2 LEU 13 3HD2 LEU 13 6.272 5.650 -0.955 123 H ARG 14 H ARG 14 5.357 -0.042 1.148 124 HA ARG 14 HA ARG 14 3.937 -0.015 3.579 125 1HB ARG 14 2HB ARG 14 3.526 -1.907 2.220 126 2HB ARG 14 1HB ARG 14 5.240 -2.208 1.984 127 1HG ARG 14 2HG ARG 14 4.190 -2.377 4.747 128 2HG ARG 14 1HG ARG 14 3.764 -3.666 3.619 129 1HD ARG 14 2HD ARG 14 6.587 -2.915 3.539 130 2HD ARG 14 1HD ARG 14 6.065 -3.541 5.103 131 HE ARG 14 HE ARG 14 5.084 -5.255 3.142 132 1HH1 ARG 14 1HH1 ARG 14 8.171 -4.229 4.405 133 2HH1 ARG 14 2HH1 ARG 14 8.963 -5.722 4.027 134 1HH2 ARG 14 1HH2 ARG 14 6.125 -7.219 2.644 135 2HH2 ARG 14 2HH2 ARG 14 7.802 -7.419 3.027 136 H CYS 15 H CYS 15 7.130 -0.520 2.412 137 HA CYS 15 HA CYS 15 8.391 -0.827 5.020 138 1HB CYS 15 2HB CYS 15 8.975 -1.575 2.334 139 2HB CYS 15 1HB CYS 15 10.258 -0.515 2.880 140 HG CYS 15 HG CYS 15 9.895 -2.587 4.968 141 H SER 16 H SER 16 7.561 1.615 2.784 142 HA SER 16 HA SER 16 9.316 3.499 2.512 143 1HB SER 16 2HB SER 16 6.517 3.620 3.032 144 2HB SER 16 1HB SER 16 7.298 4.981 3.820 145 HG SER 16 HG SER 16 7.120 5.768 1.855 Start of MODEL 3 1 1H GLY 1 1HT GLY 1 -10.602 0.360 -6.845 2 2H GLY 1 2HT GLY 1 -9.420 1.221 -5.996 3 3H GLY 1 3HT GLY 1 -11.056 1.463 -5.645 4 1HA GLY 1 1HA GLY 1 -11.291 -0.679 -4.703 5 2HA GLY 1 2HA GLY 1 -9.704 -1.148 -5.293 6 H ARG 2 H ARG 2 -10.783 -1.166 -2.562 7 HA ARG 2 HA ARG 2 -9.002 0.793 -1.281 8 1HB ARG 2 2HB ARG 2 -11.597 -0.412 -0.533 9 2HB ARG 2 1HB ARG 2 -10.444 -0.212 0.779 10 1HG ARG 2 2HG ARG 2 -11.912 1.703 0.640 11 2HG ARG 2 1HG ARG 2 -10.256 2.171 0.244 12 1HD ARG 2 2HD ARG 2 -11.942 1.346 -2.030 13 2HD ARG 2 1HD ARG 2 -12.412 2.846 -1.233 14 HE ARG 2 HE ARG 2 -10.215 2.486 -2.967 15 1HH1 ARG 2 1HH1 ARG 2 -11.113 4.127 -0.021 16 2HH1 ARG 2 2HH1 ARG 2 -9.972 5.411 -0.241 17 1HH2 ARG 2 1HH2 ARG 2 -8.713 4.173 -3.257 18 2HH2 ARG 2 2HH2 ARG 2 -8.609 5.437 -2.078 19 H MET 3 H MET 3 -7.188 0.099 -0.363 20 HA MET 3 HA MET 3 -5.565 -1.266 0.457 21 1HB MET 3 2HB MET 3 -7.863 -3.013 1.353 22 2HB MET 3 1HB MET 3 -6.227 -3.020 1.996 23 1HG MET 3 2HG MET 3 -6.680 -1.376 3.407 24 2HG MET 3 1HG MET 3 -7.388 -0.385 2.132 25 1HE MET 3 1HE MET 3 -8.730 -3.028 5.203 26 2HE MET 3 2HE MET 3 -9.317 -1.425 5.642 27 3HE MET 3 3HE MET 3 -7.625 -1.654 5.201 28 H LEU 4 H LEU 4 -5.314 -1.601 -1.977 29 HA LEU 4 HA LEU 4 -4.572 -4.204 -2.493 30 1HB LEU 4 2HB LEU 4 -7.274 -4.099 -2.646 31 2HB LEU 4 1HB LEU 4 -6.822 -3.791 -4.311 32 HG LEU 4 HG LEU 4 -7.245 -6.151 -4.001 33 1HD1 LEU 4 1HD1 LEU 4 -4.390 -5.349 -4.448 34 2HD1 LEU 4 2HD1 LEU 4 -5.615 -5.795 -5.635 35 3HD1 LEU 4 3HD1 LEU 4 -4.914 -7.028 -4.586 36 1HD2 LEU 4 1HD2 LEU 4 -6.780 -6.246 -1.590 37 2HD2 LEU 4 2HD2 LEU 4 -5.057 -6.086 -1.927 38 3HD2 LEU 4 3HD2 LEU 4 -5.934 -7.511 -2.481 39 HA PRO 5 HA PRO 5 -4.275 -1.676 -6.516 40 1HB PRO 5 2HB PRO 5 -5.799 0.780 -6.015 41 2HB PRO 5 1HB PRO 5 -6.025 -0.431 -7.286 42 1HG PRO 5 2HG PRO 5 -7.832 -0.211 -5.326 43 2HG PRO 5 1HG PRO 5 -7.332 -1.815 -5.910 44 1HD PRO 5 2HD PRO 5 -6.248 -0.309 -3.551 45 2HD PRO 5 1HD PRO 5 -6.984 -1.935 -3.587 46 H GLN 6 H GLN 6 -4.140 -0.193 -3.419 47 HA GLN 6 HA GLN 6 -1.891 1.504 -4.265 48 1HB GLN 6 2HB GLN 6 -3.853 2.701 -3.274 49 2HB GLN 6 1HB GLN 6 -3.600 1.800 -1.786 50 1HG GLN 6 2HG GLN 6 -1.395 2.802 -1.538 51 2HG GLN 6 1HG GLN 6 -1.625 3.691 -3.044 52 1HE2 GLN 6 1HE2 GLN 6 -3.721 3.081 -0.248 53 2HE2 GLN 6 2HE2 GLN 6 -4.049 4.745 0.086 54 H LEU 7 H LEU 7 -2.752 -1.314 -2.649 55 HA LEU 7 HA LEU 7 -0.899 -1.332 -0.523 56 1HB LEU 7 2HB LEU 7 -2.894 -3.031 -1.518 57 2HB LEU 7 1HB LEU 7 -1.412 -3.966 -1.564 58 HG LEU 7 HG LEU 7 -1.062 -3.584 0.819 59 1HD1 LEU 7 1HD1 LEU 7 -3.487 -1.852 0.521 60 2HD1 LEU 7 2HD1 LEU 7 -1.936 -1.477 1.274 61 3HD1 LEU 7 3HD1 LEU 7 -3.063 -2.575 2.074 62 1HD2 LEU 7 1HD2 LEU 7 -2.646 -5.095 1.590 63 2HD2 LEU 7 2HD2 LEU 7 -2.607 -5.416 -0.144 64 3HD2 LEU 7 3HD2 LEU 7 -3.914 -4.452 0.545 65 H VAL 8 H VAL 8 -0.703 -2.147 -3.886 66 HA VAL 8 HA VAL 8 1.774 -3.523 -3.809 67 HB VAL 8 HB VAL 8 0.655 -2.004 -6.160 68 1HG1 VAL 8 1HG1 VAL 8 2.091 -3.188 -7.492 69 2HG1 VAL 8 2HG1 VAL 8 2.184 -4.547 -6.374 70 3HG1 VAL 8 3HG1 VAL 8 3.065 -3.059 -6.028 71 1HG2 VAL 8 1HG2 VAL 8 -0.199 -4.404 -6.735 72 2HG2 VAL 8 2HG2 VAL 8 -1.139 -3.364 -5.665 73 3HG2 VAL 8 3HG2 VAL 8 -0.123 -4.638 -4.989 74 H CYS 9 H CYS 9 1.009 -0.339 -5.107 75 HA CYS 9 HA CYS 9 3.669 0.555 -5.188 76 1HB CYS 9 2HB CYS 9 0.997 1.904 -5.276 77 2HB CYS 9 1HB CYS 9 2.424 2.898 -5.009 78 HG CYS 9 HG CYS 9 2.897 2.781 -7.401 79 H ARG 10 H ARG 10 1.288 0.422 -2.625 80 HA ARG 10 HA ARG 10 3.104 1.947 -0.944 81 1HB ARG 10 2HB ARG 10 0.623 2.286 -0.658 82 2HB ARG 10 1HB ARG 10 0.608 0.703 0.132 83 1HG ARG 10 2HG ARG 10 2.800 1.968 1.271 84 2HG ARG 10 1HG ARG 10 1.588 3.257 1.123 85 1HD ARG 10 2HD ARG 10 1.109 2.349 3.208 86 2HD ARG 10 1HD ARG 10 -0.052 1.543 2.155 87 HE ARG 10 HE ARG 10 2.092 -0.134 2.186 88 1HH1 ARG 10 1HH1 ARG 10 0.087 1.308 4.652 89 2HH1 ARG 10 2HH1 ARG 10 0.287 -0.007 5.760 90 1HH2 ARG 10 1HH2 ARG 10 2.356 -1.866 3.644 91 2HH2 ARG 10 2HH2 ARG 10 1.575 -1.807 5.189 92 H LEU 11 H LEU 11 3.160 -0.984 -2.010 93 HA LEU 11 HA LEU 11 3.766 -2.455 0.343 94 1HB LEU 11 2HB LEU 11 3.094 -3.251 -2.177 95 2HB LEU 11 1HB LEU 11 4.841 -3.366 -2.262 96 HG LEU 11 HG LEU 11 3.085 -4.789 -0.259 97 1HD1 LEU 11 1HD1 LEU 11 2.719 -5.954 -2.208 98 2HD1 LEU 11 2HD1 LEU 11 4.139 -6.782 -1.569 99 3HD1 LEU 11 3HD1 LEU 11 4.318 -5.589 -2.855 100 1HD2 LEU 11 1HD2 LEU 11 5.966 -5.402 -0.727 101 2HD2 LEU 11 2HD2 LEU 11 4.970 -5.692 0.699 102 3HD2 LEU 11 3HD2 LEU 11 5.527 -4.060 0.329 103 H VAL 12 H VAL 12 5.274 -0.707 -2.271 104 HA VAL 12 HA VAL 12 7.949 -1.044 -1.314 105 HB VAL 12 HB VAL 12 6.886 1.213 -3.018 106 1HG1 VAL 12 1HG1 VAL 12 8.959 1.973 -2.509 107 2HG1 VAL 12 2HG1 VAL 12 9.415 0.896 -3.829 108 3HG1 VAL 12 3HG1 VAL 12 9.585 0.363 -2.157 109 1HG2 VAL 12 1HG2 VAL 12 6.741 -1.386 -3.734 110 2HG2 VAL 12 2HG2 VAL 12 8.360 -0.985 -4.309 111 3HG2 VAL 12 3HG2 VAL 12 6.969 -0.062 -4.877 112 H LEU 13 H LEU 13 5.384 1.270 -0.961 113 HA LEU 13 HA LEU 13 6.905 2.732 0.988 114 1HB LEU 13 2HB LEU 13 4.037 3.310 0.757 115 2HB LEU 13 1HB LEU 13 5.408 4.388 0.957 116 HG LEU 13 HG LEU 13 5.226 3.050 -1.672 117 1HD1 LEU 13 1HD1 LEU 13 3.489 5.411 -1.453 118 2HD1 LEU 13 2HD1 LEU 13 2.851 3.929 -0.739 119 3HD1 LEU 13 3HD1 LEU 13 3.319 3.959 -2.440 120 1HD2 LEU 13 1HD2 LEU 13 6.257 4.954 -2.419 121 2HD2 LEU 13 2HD2 LEU 13 6.822 4.916 -0.749 122 3HD2 LEU 13 3HD2 LEU 13 5.489 5.978 -1.205 123 H ARG 14 H ARG 14 5.480 -0.154 0.982 124 HA ARG 14 HA ARG 14 3.955 -0.080 3.318 125 1HB ARG 14 2HB ARG 14 3.647 -2.058 2.108 126 2HB ARG 14 1HB ARG 14 5.371 -2.311 1.898 127 1HG ARG 14 2HG ARG 14 4.261 -2.395 4.647 128 2HG ARG 14 1HG ARG 14 3.953 -3.758 3.570 129 1HD ARG 14 2HD ARG 14 6.732 -2.783 3.644 130 2HD ARG 14 1HD ARG 14 6.145 -3.527 5.130 131 HE ARG 14 HE ARG 14 5.567 -5.095 2.807 132 1HH1 ARG 14 1HH1 ARG 14 8.036 -4.323 5.150 133 2HH1 ARG 14 2HH1 ARG 14 8.869 -5.828 4.954 134 1HH2 ARG 14 1HH2 ARG 14 6.662 -7.075 2.548 135 2HH2 ARG 14 2HH2 ARG 14 8.090 -7.390 3.476 136 H CYS 15 H CYS 15 7.221 -0.562 2.380 137 HA CYS 15 HA CYS 15 8.331 -0.734 5.063 138 1HB CYS 15 2HB CYS 15 9.132 -1.455 2.414 139 2HB CYS 15 1HB CYS 15 10.329 -0.357 3.074 140 HG CYS 15 HG CYS 15 11.210 -2.489 3.984 141 H SER 16 H SER 16 7.522 1.625 2.738 142 HA SER 16 HA SER 16 9.165 3.621 2.552 143 1HB SER 16 2HB SER 16 7.057 4.264 1.898 144 2HB SER 16 1HB SER 16 6.313 3.742 3.406 145 HG SER 16 HG SER 16 6.861 5.594 4.341 Start of MODEL 4 1 1H GLY 1 1HT GLY 1 -11.029 1.618 -5.563 2 2H GLY 1 2HT GLY 1 -12.148 1.356 -4.322 3 3H GLY 1 3HT GLY 1 -12.234 0.444 -5.745 4 1HA GLY 1 1HA GLY 1 -11.279 -0.957 -4.117 5 2HA GLY 1 2HA GLY 1 -10.003 -0.481 -5.228 6 H ARG 2 H ARG 2 -11.193 -0.321 -1.999 7 HA ARG 2 HA ARG 2 -9.038 1.481 -1.180 8 1HB ARG 2 2HB ARG 2 -11.437 0.375 0.280 9 2HB ARG 2 1HB ARG 2 -10.174 1.302 1.079 10 1HG ARG 2 2HG ARG 2 -11.995 2.249 -1.121 11 2HG ARG 2 1HG ARG 2 -12.018 2.747 0.571 12 1HD ARG 2 2HD ARG 2 -10.836 4.486 -0.307 13 2HD ARG 2 1HD ARG 2 -9.504 3.382 0.038 14 HE ARG 2 HE ARG 2 -10.259 2.771 -2.513 15 1HH1 ARG 2 1HH1 ARG 2 -9.242 5.682 -0.881 16 2HH1 ARG 2 2HH1 ARG 2 -8.529 6.377 -2.299 17 1HH2 ARG 2 1HH2 ARG 2 -9.321 3.680 -4.377 18 2HH2 ARG 2 2HH2 ARG 2 -8.571 5.240 -4.283 19 H MET 3 H MET 3 -7.196 0.732 -0.377 20 HA MET 3 HA MET 3 -5.628 -0.641 0.532 21 1HB MET 3 2HB MET 3 -7.145 -0.734 2.458 22 2HB MET 3 1HB MET 3 -8.023 -2.062 1.712 23 1HG MET 3 2HG MET 3 -5.805 -3.314 1.730 24 2HG MET 3 1HG MET 3 -5.244 -2.055 2.829 25 1HE MET 3 1HE MET 3 -7.446 -2.470 5.940 26 2HE MET 3 2HE MET 3 -8.097 -1.551 4.583 27 3HE MET 3 3HE MET 3 -6.386 -1.426 4.991 28 H LEU 4 H LEU 4 -5.412 -1.214 -1.813 29 HA LEU 4 HA LEU 4 -4.934 -3.903 -2.148 30 1HB LEU 4 2HB LEU 4 -7.620 -3.543 -2.304 31 2HB LEU 4 1HB LEU 4 -7.149 -3.417 -3.987 32 HG LEU 4 HG LEU 4 -5.881 -5.653 -3.532 33 1HD1 LEU 4 1HD1 LEU 4 -8.042 -5.928 -1.467 34 2HD1 LEU 4 2HD1 LEU 4 -6.398 -5.452 -1.045 35 3HD1 LEU 4 3HD1 LEU 4 -6.696 -7.014 -1.807 36 1HD2 LEU 4 1HD2 LEU 4 -7.540 -5.831 -5.097 37 2HD2 LEU 4 2HD2 LEU 4 -8.775 -5.167 -4.027 38 3HD2 LEU 4 3HD2 LEU 4 -8.222 -6.829 -3.812 39 HA PRO 5 HA PRO 5 -4.417 -1.701 -6.326 40 1HB PRO 5 2HB PRO 5 -5.769 0.882 -6.065 41 2HB PRO 5 1HB PRO 5 -6.092 -0.428 -7.209 42 1HG PRO 5 2HG PRO 5 -7.861 0.127 -5.274 43 2HG PRO 5 1HG PRO 5 -7.504 -1.558 -5.718 44 1HD PRO 5 2HD PRO 5 -6.275 0.046 -3.496 45 2HD PRO 5 1HD PRO 5 -7.143 -1.511 -3.394 46 H GLN 6 H GLN 6 -4.157 -0.082 -3.332 47 HA GLN 6 HA GLN 6 -1.865 1.499 -4.276 48 1HB GLN 6 2HB GLN 6 -3.707 2.802 -3.237 49 2HB GLN 6 1HB GLN 6 -3.511 1.867 -1.763 50 1HG GLN 6 2HG GLN 6 -0.969 2.836 -2.314 51 2HG GLN 6 1HG GLN 6 -2.052 4.174 -2.697 52 1HE2 GLN 6 1HE2 GLN 6 -3.870 4.381 -0.969 53 2HE2 GLN 6 2HE2 GLN 6 -3.314 4.387 0.667 54 H LEU 7 H LEU 7 -2.790 -1.256 -2.553 55 HA LEU 7 HA LEU 7 -0.892 -1.341 -0.494 56 1HB LEU 7 2HB LEU 7 -2.956 -2.867 -1.057 57 2HB LEU 7 1HB LEU 7 -1.751 -3.828 -1.892 58 HG LEU 7 HG LEU 7 -0.459 -3.805 0.332 59 1HD1 LEU 7 1HD1 LEU 7 -3.063 -3.476 1.687 60 2HD1 LEU 7 2HD1 LEU 7 -2.269 -2.005 1.125 61 3HD1 LEU 7 3HD1 LEU 7 -1.434 -3.087 2.241 62 1HD2 LEU 7 1HD2 LEU 7 -2.963 -5.306 0.750 63 2HD2 LEU 7 2HD2 LEU 7 -1.289 -5.863 0.744 64 3HD2 LEU 7 3HD2 LEU 7 -2.134 -5.591 -0.781 65 H VAL 8 H VAL 8 -0.721 -2.125 -3.869 66 HA VAL 8 HA VAL 8 1.746 -3.518 -3.825 67 HB VAL 8 HB VAL 8 0.576 -1.965 -6.129 68 1HG1 VAL 8 1HG1 VAL 8 2.113 -2.923 -7.474 69 2HG1 VAL 8 2HG1 VAL 8 2.108 -4.441 -6.577 70 3HG1 VAL 8 3HG1 VAL 8 3.035 -3.067 -5.976 71 1HG2 VAL 8 1HG2 VAL 8 0.197 -4.881 -6.024 72 2HG2 VAL 8 2HG2 VAL 8 -0.902 -3.609 -6.559 73 3HG2 VAL 8 3HG2 VAL 8 -0.727 -3.956 -4.840 74 H CYS 9 H CYS 9 1.029 -0.326 -5.128 75 HA CYS 9 HA CYS 9 3.697 0.536 -5.196 76 1HB CYS 9 2HB CYS 9 1.211 2.251 -4.907 77 2HB CYS 9 1HB CYS 9 2.793 2.806 -5.445 78 HG CYS 9 HG CYS 9 2.298 1.000 -7.506 79 H ARG 10 H ARG 10 1.319 0.410 -2.642 80 HA ARG 10 HA ARG 10 3.118 1.932 -0.944 81 1HB ARG 10 2HB ARG 10 0.646 2.280 -0.685 82 2HB ARG 10 1HB ARG 10 0.598 0.681 0.071 83 1HG ARG 10 2HG ARG 10 2.770 1.900 1.292 84 2HG ARG 10 1HG ARG 10 1.575 3.204 1.137 85 1HD ARG 10 2HD ARG 10 1.006 2.266 3.181 86 2HD ARG 10 1HD ARG 10 -0.110 1.469 2.072 87 HE ARG 10 HE ARG 10 2.134 -0.140 2.225 88 1HH1 ARG 10 1HH1 ARG 10 -0.322 1.045 4.404 89 2HH1 ARG 10 2HH1 ARG 10 -0.251 -0.343 5.438 90 1HH2 ARG 10 1HH2 ARG 10 2.228 -1.966 3.584 91 2HH2 ARG 10 2HH2 ARG 10 1.196 -2.053 4.972 92 H LEU 11 H LEU 11 3.176 -1.003 -2.017 93 HA LEU 11 HA LEU 11 3.776 -2.475 0.340 94 1HB LEU 11 2HB LEU 11 3.090 -3.283 -2.162 95 2HB LEU 11 1HB LEU 11 4.837 -3.365 -2.285 96 HG LEU 11 HG LEU 11 3.739 -4.663 0.112 97 1HD1 LEU 11 1HD1 LEU 11 2.052 -5.084 -1.787 98 2HD1 LEU 11 2HD1 LEU 11 2.681 -6.469 -0.895 99 3HD1 LEU 11 3HD1 LEU 11 3.323 -6.083 -2.492 100 1HD2 LEU 11 1HD2 LEU 11 6.126 -4.670 -0.935 101 2HD2 LEU 11 2HD2 LEU 11 5.460 -5.930 -1.973 102 3HD2 LEU 11 3HD2 LEU 11 5.473 -6.145 -0.223 103 H VAL 12 H VAL 12 5.273 -0.718 -2.267 104 HA VAL 12 HA VAL 12 7.950 -1.046 -1.314 105 HB VAL 12 HB VAL 12 6.807 1.139 -3.054 106 1HG1 VAL 12 1HG1 VAL 12 8.905 1.817 -2.039 107 2HG1 VAL 12 2HG1 VAL 12 9.136 1.517 -3.762 108 3HG1 VAL 12 3HG1 VAL 12 9.673 0.324 -2.579 109 1HG2 VAL 12 1HG2 VAL 12 6.895 -1.464 -3.726 110 2HG2 VAL 12 2HG2 VAL 12 8.504 -0.959 -4.241 111 3HG2 VAL 12 3HG2 VAL 12 7.076 -0.150 -4.888 112 H LEU 13 H LEU 13 5.374 1.258 -0.972 113 HA LEU 13 HA LEU 13 6.868 2.741 0.982 114 1HB LEU 13 2HB LEU 13 3.981 3.245 0.715 115 2HB LEU 13 1HB LEU 13 5.315 4.357 0.975 116 HG LEU 13 HG LEU 13 5.232 3.060 -1.681 117 1HD1 LEU 13 1HD1 LEU 13 3.579 5.243 -2.038 118 2HD1 LEU 13 2HD1 LEU 13 2.929 4.452 -0.602 119 3HD1 LEU 13 3HD1 LEU 13 3.103 3.546 -2.106 120 1HD2 LEU 13 1HD2 LEU 13 6.142 5.085 -2.398 121 2HD2 LEU 13 2HD2 LEU 13 6.846 4.845 -0.799 122 3HD2 LEU 13 3HD2 LEU 13 5.504 5.968 -1.011 123 H ARG 14 H ARG 14 5.489 -0.166 0.975 124 HA ARG 14 HA ARG 14 3.967 -0.124 3.314 125 1HB ARG 14 2HB ARG 14 3.636 -2.100 2.162 126 2HB ARG 14 1HB ARG 14 5.333 -2.277 1.772 127 1HG ARG 14 2HG ARG 14 5.397 -2.586 4.462 128 2HG ARG 14 1HG ARG 14 3.815 -3.260 4.068 129 1HD ARG 14 2HD ARG 14 5.350 -5.056 3.937 130 2HD ARG 14 1HD ARG 14 4.965 -4.605 2.276 131 HE ARG 14 HE ARG 14 7.322 -3.332 3.334 132 1HH1 ARG 14 1HH1 ARG 14 6.063 -6.133 1.677 133 2HH1 ARG 14 2HH1 ARG 14 7.568 -6.513 0.911 134 1HH2 ARG 14 1HH2 ARG 14 9.305 -3.831 2.324 135 2HH2 ARG 14 2HH2 ARG 14 9.408 -5.209 1.281 136 H CYS 15 H CYS 15 7.238 -0.563 2.365 137 HA CYS 15 HA CYS 15 8.354 -0.720 5.050 138 1HB CYS 15 2HB CYS 15 9.172 -1.433 2.410 139 2HB CYS 15 1HB CYS 15 10.337 -0.289 3.048 140 HG CYS 15 HG CYS 15 11.315 -2.158 4.275 141 H SER 16 H SER 16 7.487 1.628 2.739 142 HA SER 16 HA SER 16 9.087 3.655 2.549 143 1HB SER 16 2HB SER 16 6.967 4.270 1.914 144 2HB SER 16 1HB SER 16 6.239 3.708 3.415 145 HG SER 16 HG SER 16 6.538 5.611 4.256 Start of MODEL 5 1 1H GLY 1 1HT GLY 1 -11.878 1.376 -3.087 2 2H GLY 1 2HT GLY 1 -11.963 1.260 -1.403 3 3H GLY 1 3HT GLY 1 -12.145 -0.126 -2.354 4 1HA GLY 1 1HA GLY 1 -9.948 -0.386 -2.703 5 2HA GLY 1 2HA GLY 1 -9.671 1.348 -2.734 6 H ARG 2 H ARG 2 -8.507 2.097 -1.106 7 HA ARG 2 HA ARG 2 -7.523 2.318 0.933 8 1HB ARG 2 2HB ARG 2 -10.034 0.888 1.814 9 2HB ARG 2 1HB ARG 2 -8.856 1.572 2.925 10 1HG ARG 2 2HG ARG 2 -10.489 3.207 2.795 11 2HG ARG 2 1HG ARG 2 -9.255 3.776 1.669 12 1HD ARG 2 2HD ARG 2 -11.326 2.017 0.527 13 2HD ARG 2 1HD ARG 2 -11.879 3.600 1.070 14 HE ARG 2 HE ARG 2 -9.520 3.690 -0.573 15 1HH1 ARG 2 1HH1 ARG 2 -13.011 3.653 -0.569 16 2HH1 ARG 2 2HH1 ARG 2 -13.144 4.407 -2.122 17 1HH2 ARG 2 1HH2 ARG 2 -9.695 4.679 -2.615 18 2HH2 ARG 2 2HH2 ARG 2 -11.262 4.989 -3.283 19 H MET 3 H MET 3 -5.687 1.131 0.773 20 HA MET 3 HA MET 3 -4.205 -0.553 1.143 21 1HB MET 3 2HB MET 3 -5.371 -0.461 3.403 22 2HB MET 3 1HB MET 3 -6.321 -1.839 2.866 23 1HG MET 3 2HG MET 3 -4.474 -2.572 4.231 24 2HG MET 3 1HG MET 3 -4.268 -3.134 2.574 25 1HE MET 3 1HE MET 3 -2.034 0.488 4.320 26 2HE MET 3 2HE MET 3 -2.682 -0.736 5.413 27 3HE MET 3 3HE MET 3 -3.772 0.195 4.385 28 H LEU 4 H LEU 4 -5.156 -0.840 -1.218 29 HA LEU 4 HA LEU 4 -5.179 -3.613 -1.711 30 1HB LEU 4 2HB LEU 4 -7.692 -2.574 -1.182 31 2HB LEU 4 1HB LEU 4 -7.617 -2.680 -2.930 32 HG LEU 4 HG LEU 4 -8.611 -4.690 -2.090 33 1HD1 LEU 4 1HD1 LEU 4 -5.882 -4.848 -3.249 34 2HD1 LEU 4 2HD1 LEU 4 -7.432 -5.355 -3.921 35 3HD1 LEU 4 3HD1 LEU 4 -6.637 -6.342 -2.695 36 1HD2 LEU 4 1HD2 LEU 4 -7.593 -4.466 0.198 37 2HD2 LEU 4 2HD2 LEU 4 -6.126 -5.184 -0.467 38 3HD2 LEU 4 3HD2 LEU 4 -7.631 -6.103 -0.457 39 HA PRO 5 HA PRO 5 -5.305 -1.275 -5.827 40 1HB PRO 5 2HB PRO 5 -6.236 1.435 -5.269 41 2HB PRO 5 1HB PRO 5 -7.000 0.189 -6.265 42 1HG PRO 5 2HG PRO 5 -8.119 0.957 -3.941 43 2HG PRO 5 1HG PRO 5 -8.143 -0.746 -4.451 44 1HD PRO 5 2HD PRO 5 -6.168 0.594 -2.628 45 2HD PRO 5 1HD PRO 5 -7.193 -0.830 -2.301 46 H GLN 6 H GLN 6 -4.119 0.093 -2.963 47 HA GLN 6 HA GLN 6 -1.867 1.319 -4.398 48 1HB GLN 6 2HB GLN 6 -3.426 2.957 -3.239 49 2HB GLN 6 1HB GLN 6 -2.904 2.246 -1.719 50 1HG GLN 6 2HG GLN 6 -0.526 2.805 -2.501 51 2HG GLN 6 1HG GLN 6 -1.314 3.848 -3.683 52 1HE2 GLN 6 1HE2 GLN 6 -1.629 3.108 -0.222 53 2HE2 GLN 6 2HE2 GLN 6 -1.728 4.753 0.294 54 H LEU 7 H LEU 7 -2.799 -1.223 -2.505 55 HA LEU 7 HA LEU 7 -0.868 -1.346 -0.490 56 1HB LEU 7 2HB LEU 7 -2.782 -2.823 -0.519 57 2HB LEU 7 1HB LEU 7 -2.231 -3.559 -2.012 58 HG LEU 7 HG LEU 7 -0.184 -3.783 0.003 59 1HD1 LEU 7 1HD1 LEU 7 -2.035 -3.644 1.590 60 2HD1 LEU 7 2HD1 LEU 7 -1.338 -5.264 1.552 61 3HD1 LEU 7 3HD1 LEU 7 -2.868 -4.942 0.735 62 1HD2 LEU 7 1HD2 LEU 7 0.019 -5.881 -0.842 63 2HD2 LEU 7 2HD2 LEU 7 -0.879 -5.147 -2.170 64 3HD2 LEU 7 3HD2 LEU 7 -1.724 -6.122 -0.967 65 H VAL 8 H VAL 8 -0.721 -2.155 -3.865 66 HA VAL 8 HA VAL 8 1.738 -3.559 -3.815 67 HB VAL 8 HB VAL 8 0.558 -2.031 -6.130 68 1HG1 VAL 8 1HG1 VAL 8 2.078 -3.015 -7.479 69 2HG1 VAL 8 2HG1 VAL 8 2.089 -4.515 -6.551 70 3HG1 VAL 8 3HG1 VAL 8 3.016 -3.124 -5.990 71 1HG2 VAL 8 1HG2 VAL 8 -0.099 -4.596 -6.627 72 2HG2 VAL 8 2HG2 VAL 8 -1.173 -3.448 -5.828 73 3HG2 VAL 8 3HG2 VAL 8 -0.218 -4.579 -4.867 74 H CYS 9 H CYS 9 1.038 -0.385 -5.165 75 HA CYS 9 HA CYS 9 3.712 0.462 -5.246 76 1HB CYS 9 2HB CYS 9 1.286 1.532 -6.063 77 2HB CYS 9 1HB CYS 9 1.792 2.632 -4.785 78 HG CYS 9 HG CYS 9 3.242 2.240 -7.483 79 H ARG 10 H ARG 10 1.318 0.411 -2.699 80 HA ARG 10 HA ARG 10 3.115 1.940 -1.011 81 1HB ARG 10 2HB ARG 10 0.637 2.268 -0.762 82 2HB ARG 10 1HB ARG 10 0.601 0.676 0.007 83 1HG ARG 10 2HG ARG 10 2.752 1.930 1.227 84 2HG ARG 10 1HG ARG 10 1.540 3.217 1.058 85 1HD ARG 10 2HD ARG 10 0.838 2.349 3.045 86 2HD ARG 10 1HD ARG 10 -0.079 1.311 1.954 87 HE ARG 10 HE ARG 10 2.212 -0.064 2.295 88 1HH1 ARG 10 1HH1 ARG 10 -0.027 1.386 4.545 89 2HH1 ARG 10 2HH1 ARG 10 0.283 0.228 5.795 90 1HH2 ARG 10 1HH2 ARG 10 2.618 -1.593 3.940 91 2HH2 ARG 10 2HH2 ARG 10 1.782 -1.463 5.452 92 H LEU 11 H LEU 11 3.182 -1.020 -2.046 93 HA LEU 11 HA LEU 11 3.790 -2.461 0.323 94 1HB LEU 11 2HB LEU 11 3.109 -3.337 -2.132 95 2HB LEU 11 1HB LEU 11 4.851 -3.318 -2.327 96 HG LEU 11 HG LEU 11 3.925 -5.535 -1.672 97 1HD1 LEU 11 1HD1 LEU 11 6.224 -5.160 -1.241 98 2HD1 LEU 11 2HD1 LEU 11 5.550 -5.895 0.213 99 3HD1 LEU 11 3HD1 LEU 11 5.868 -4.162 0.168 100 1HD2 LEU 11 1HD2 LEU 11 2.215 -4.376 -0.101 101 2HD2 LEU 11 2HD2 LEU 11 3.522 -4.441 1.081 102 3HD2 LEU 11 3HD2 LEU 11 2.906 -5.930 0.366 103 H VAL 12 H VAL 12 5.274 -0.689 -2.279 104 HA VAL 12 HA VAL 12 7.959 -0.977 -1.342 105 HB VAL 12 HB VAL 12 6.772 1.225 -3.029 106 1HG1 VAL 12 1HG1 VAL 12 8.814 2.034 -2.181 107 2HG1 VAL 12 2HG1 VAL 12 9.180 1.455 -3.805 108 3HG1 VAL 12 3HG1 VAL 12 9.614 0.478 -2.403 109 1HG2 VAL 12 1HG2 VAL 12 6.629 -1.177 -3.898 110 2HG2 VAL 12 2HG2 VAL 12 8.382 -1.086 -4.064 111 3HG2 VAL 12 3HG2 VAL 12 7.352 0.033 -4.958 112 H LEU 13 H LEU 13 5.351 1.288 -0.946 113 HA LEU 13 HA LEU 13 6.847 2.746 1.027 114 1HB LEU 13 2HB LEU 13 3.974 3.285 0.836 115 2HB LEU 13 1HB LEU 13 5.336 4.381 1.001 116 HG LEU 13 HG LEU 13 4.907 2.993 -1.610 117 1HD1 LEU 13 1HD1 LEU 13 3.170 5.071 -0.415 118 2HD1 LEU 13 2HD1 LEU 13 2.789 3.808 -1.585 119 3HD1 LEU 13 3HD1 LEU 13 3.630 5.268 -2.105 120 1HD2 LEU 13 1HD2 LEU 13 5.949 4.993 -2.481 121 2HD2 LEU 13 2HD2 LEU 13 6.938 4.321 -1.185 122 3HD2 LEU 13 3HD2 LEU 13 5.927 5.733 -0.880 123 H ARG 14 H ARG 14 5.478 -0.161 0.979 124 HA ARG 14 HA ARG 14 3.949 -0.164 3.307 125 1HB ARG 14 2HB ARG 14 3.641 -2.145 2.164 126 2HB ARG 14 1HB ARG 14 5.333 -2.282 1.739 127 1HG ARG 14 2HG ARG 14 5.382 -2.597 4.463 128 2HG ARG 14 1HG ARG 14 3.876 -3.388 3.995 129 1HD ARG 14 2HD ARG 14 5.667 -5.000 3.946 130 2HD ARG 14 1HD ARG 14 5.123 -4.679 2.300 131 HE ARG 14 HE ARG 14 7.190 -2.963 2.617 132 1HH1 ARG 14 1HH1 ARG 14 6.841 -6.401 3.101 133 2HH1 ARG 14 2HH1 ARG 14 8.491 -6.749 2.711 134 1HH2 ARG 14 1HH2 ARG 14 9.357 -3.420 2.095 135 2HH2 ARG 14 2HH2 ARG 14 9.923 -5.055 2.144 136 H CYS 15 H CYS 15 7.231 -0.552 2.377 137 HA CYS 15 HA CYS 15 8.328 -0.715 5.071 138 1HB CYS 15 2HB CYS 15 9.156 -1.451 2.445 139 2HB CYS 15 1HB CYS 15 10.319 -0.297 3.066 140 HG CYS 15 HG CYS 15 11.271 -2.068 4.453 141 H SER 16 H SER 16 7.483 1.632 2.748 142 HA SER 16 HA SER 16 9.103 3.646 2.565 143 1HB SER 16 2HB SER 16 7.016 4.307 1.903 144 2HB SER 16 1HB SER 16 6.243 3.703 3.365 145 HG SER 16 HG SER 16 7.479 6.149 2.876 Start of MODEL 6 1 1H GLY 1 1HT GLY 1 -11.758 0.931 -5.902 2 2H GLY 1 2HT GLY 1 -12.479 -0.465 -5.274 3 3H GLY 1 3HT GLY 1 -11.983 -0.423 -6.892 4 1HA GLY 1 1HA GLY 1 -10.301 -1.632 -5.898 5 2HA GLY 1 2HA GLY 1 -9.652 -0.002 -5.982 6 H ARG 2 H ARG 2 -8.803 0.787 -4.179 7 HA ARG 2 HA ARG 2 -8.271 1.091 -1.990 8 1HB ARG 2 2HB ARG 2 -11.137 0.346 -1.902 9 2HB ARG 2 1HB ARG 2 -10.253 0.212 -0.387 10 1HG ARG 2 2HG ARG 2 -11.235 2.364 -0.439 11 2HG ARG 2 1HG ARG 2 -9.506 2.578 -0.717 12 1HD ARG 2 2HD ARG 2 -11.232 2.239 -3.102 13 2HD ARG 2 1HD ARG 2 -11.372 3.759 -2.218 14 HE ARG 2 HE ARG 2 -8.660 3.005 -2.807 15 1HH1 ARG 2 1HH1 ARG 2 -11.503 4.628 -4.020 16 2HH1 ARG 2 2HH1 ARG 2 -10.614 5.631 -5.117 17 1HH2 ARG 2 1HH2 ARG 2 -7.492 4.325 -4.249 18 2HH2 ARG 2 2HH2 ARG 2 -8.339 5.460 -5.247 19 H MET 3 H MET 3 -6.933 -0.019 -0.718 20 HA MET 3 HA MET 3 -5.793 -1.748 0.218 21 1HB MET 3 2HB MET 3 -8.025 -1.979 1.381 22 2HB MET 3 1HB MET 3 -8.428 -3.222 0.205 23 1HG MET 3 2HG MET 3 -7.245 -4.766 1.278 24 2HG MET 3 1HG MET 3 -5.858 -3.694 1.464 25 1HE MET 3 1HE MET 3 -8.537 -5.132 4.692 26 2HE MET 3 2HE MET 3 -7.701 -5.946 3.369 27 3HE MET 3 3HE MET 3 -9.179 -5.036 3.051 28 H LEU 4 H LEU 4 -5.345 -1.649 -2.387 29 HA LEU 4 HA LEU 4 -4.482 -4.164 -3.089 30 1HB LEU 4 2HB LEU 4 -7.148 -4.182 -3.426 31 2HB LEU 4 1HB LEU 4 -6.635 -3.619 -5.005 32 HG LEU 4 HG LEU 4 -6.921 -6.015 -5.056 33 1HD1 LEU 4 1HD1 LEU 4 -5.182 -5.218 -6.472 34 2HD1 LEU 4 2HD1 LEU 4 -4.599 -6.695 -5.704 35 3HD1 LEU 4 3HD1 LEU 4 -4.047 -5.123 -5.125 36 1HD2 LEU 4 1HD2 LEU 4 -5.365 -5.876 -2.547 37 2HD2 LEU 4 2HD2 LEU 4 -5.033 -7.244 -3.608 38 3HD2 LEU 4 3HD2 LEU 4 -6.671 -6.965 -3.017 39 HA PRO 5 HA PRO 5 -3.974 -1.235 -6.814 40 1HB PRO 5 2HB PRO 5 -5.587 1.130 -6.169 41 2HB PRO 5 1HB PRO 5 -5.694 0.059 -7.572 42 1HG PRO 5 2HG PRO 5 -7.639 0.037 -5.736 43 2HG PRO 5 1HG PRO 5 -7.062 -1.486 -6.449 44 1HD PRO 5 2HD PRO 5 -6.186 -0.228 -3.870 45 2HD PRO 5 1HD PRO 5 -6.875 -1.852 -4.136 46 H GLN 6 H GLN 6 -4.084 -0.095 -3.576 47 HA GLN 6 HA GLN 6 -1.823 1.721 -4.075 48 1HB GLN 6 2HB GLN 6 -3.974 2.685 -3.089 49 2HB GLN 6 1HB GLN 6 -3.610 1.754 -1.643 50 1HG GLN 6 2HG GLN 6 -1.949 3.132 -1.005 51 2HG GLN 6 1HG GLN 6 -1.433 3.455 -2.659 52 1HE2 GLN 6 1HE2 GLN 6 -3.204 4.570 0.010 53 2HE2 GLN 6 2HE2 GLN 6 -3.857 5.997 -0.712 54 H LEU 7 H LEU 7 -2.702 -1.268 -2.869 55 HA LEU 7 HA LEU 7 -0.985 -1.457 -0.615 56 1HB LEU 7 2HB LEU 7 -3.041 -2.912 -1.389 57 2HB LEU 7 1HB LEU 7 -1.794 -3.848 -2.190 58 HG LEU 7 HG LEU 7 -0.690 -3.779 0.221 59 1HD1 LEU 7 1HD1 LEU 7 -2.852 -4.209 1.729 60 2HD1 LEU 7 2HD1 LEU 7 -3.509 -2.994 0.634 61 3HD1 LEU 7 3HD1 LEU 7 -2.076 -2.631 1.594 62 1HD2 LEU 7 1HD2 LEU 7 -2.314 -5.858 0.657 63 2HD2 LEU 7 2HD2 LEU 7 -1.002 -5.896 -0.522 64 3HD2 LEU 7 3HD2 LEU 7 -2.656 -5.585 -1.052 65 H VAL 8 H VAL 8 -0.677 -2.125 -4.009 66 HA VAL 8 HA VAL 8 1.795 -3.508 -3.881 67 HB VAL 8 HB VAL 8 0.703 -1.975 -6.233 68 1HG1 VAL 8 1HG1 VAL 8 2.025 -3.529 -7.566 69 2HG1 VAL 8 2HG1 VAL 8 2.590 -4.325 -6.097 70 3HG1 VAL 8 3HG1 VAL 8 3.050 -2.656 -6.427 71 1HG2 VAL 8 1HG2 VAL 8 0.011 -4.480 -6.810 72 2HG2 VAL 8 2HG2 VAL 8 -1.053 -3.389 -5.921 73 3HG2 VAL 8 3HG2 VAL 8 -0.083 -4.579 -5.051 74 H CYS 9 H CYS 9 1.013 -0.277 -5.039 75 HA CYS 9 HA CYS 9 3.690 0.602 -5.105 76 1HB CYS 9 2HB CYS 9 1.820 1.741 -6.317 77 2HB CYS 9 1HB CYS 9 1.203 2.305 -4.767 78 HG CYS 9 HG CYS 9 3.308 3.817 -4.541 79 H ARG 10 H ARG 10 1.302 0.372 -2.560 80 HA ARG 10 HA ARG 10 3.106 1.861 -0.829 81 1HB ARG 10 2HB ARG 10 0.632 2.222 -0.574 82 2HB ARG 10 1HB ARG 10 0.581 0.623 0.181 83 1HG ARG 10 2HG ARG 10 2.768 1.852 1.380 84 2HG ARG 10 1HG ARG 10 1.549 3.140 1.253 85 1HD ARG 10 2HD ARG 10 0.936 2.216 3.262 86 2HD ARG 10 1HD ARG 10 -0.069 1.272 2.162 87 HE ARG 10 HE ARG 10 2.247 -0.159 2.385 88 1HH1 ARG 10 1HH1 ARG 10 -0.124 1.061 4.638 89 2HH1 ARG 10 2HH1 ARG 10 0.115 -0.220 5.777 90 1HH2 ARG 10 1HH2 ARG 10 2.561 -1.845 3.882 91 2HH2 ARG 10 2HH2 ARG 10 1.641 -1.870 5.348 92 H LEU 11 H LEU 11 3.158 -1.064 -1.935 93 HA LEU 11 HA LEU 11 3.768 -2.519 0.441 94 1HB LEU 11 2HB LEU 11 3.468 -3.155 -2.390 95 2HB LEU 11 1HB LEU 11 4.924 -3.865 -1.725 96 HG LEU 11 HG LEU 11 2.130 -4.286 -0.661 97 1HD1 LEU 11 1HD1 LEU 11 2.875 -6.700 -1.458 98 2HD1 LEU 11 2HD1 LEU 11 3.825 -5.753 -2.602 99 3HD1 LEU 11 3HD1 LEU 11 2.073 -5.563 -2.541 100 1HD2 LEU 11 1HD2 LEU 11 4.836 -5.161 0.247 101 2HD2 LEU 11 2HD2 LEU 11 3.443 -6.214 0.502 102 3HD2 LEU 11 3HD2 LEU 11 3.461 -4.591 1.194 103 H VAL 12 H VAL 12 5.216 -0.784 -2.205 104 HA VAL 12 HA VAL 12 7.908 -1.121 -1.280 105 HB VAL 12 HB VAL 12 6.780 1.049 -3.046 106 1HG1 VAL 12 1HG1 VAL 12 9.156 1.143 -1.819 107 2HG1 VAL 12 2HG1 VAL 12 8.880 1.814 -3.426 108 3HG1 VAL 12 3HG1 VAL 12 9.610 0.218 -3.251 109 1HG2 VAL 12 1HG2 VAL 12 7.617 -1.731 -3.608 110 2HG2 VAL 12 2HG2 VAL 12 8.113 -0.500 -4.768 111 3HG2 VAL 12 3HG2 VAL 12 6.403 -0.729 -4.402 112 H LEU 13 H LEU 13 5.346 1.215 -1.010 113 HA LEU 13 HA LEU 13 6.832 2.752 0.901 114 1HB LEU 13 2HB LEU 13 3.914 3.143 0.604 115 2HB LEU 13 1HB LEU 13 5.188 4.306 0.945 116 HG LEU 13 HG LEU 13 5.313 3.081 -1.734 117 1HD1 LEU 13 1HD1 LEU 13 3.385 5.258 -1.706 118 2HD1 LEU 13 2HD1 LEU 13 2.794 3.811 -0.892 119 3HD1 LEU 13 3HD1 LEU 13 3.343 3.718 -2.565 120 1HD2 LEU 13 1HD2 LEU 13 6.783 4.905 -0.863 121 2HD2 LEU 13 2HD2 LEU 13 5.368 5.957 -0.849 122 3HD2 LEU 13 3HD2 LEU 13 5.952 5.287 -2.371 123 H ARG 14 H ARG 14 5.504 -0.193 0.987 124 HA ARG 14 HA ARG 14 4.040 -0.119 3.363 125 1HB ARG 14 2HB ARG 14 3.727 -2.133 2.255 126 2HB ARG 14 1HB ARG 14 5.425 -2.295 1.862 127 1HG ARG 14 2HG ARG 14 5.582 -2.558 4.517 128 2HG ARG 14 1HG ARG 14 3.943 -3.156 4.257 129 1HD ARG 14 2HD ARG 14 5.169 -5.086 4.008 130 2HD ARG 14 1HD ARG 14 5.054 -4.526 2.341 131 HE ARG 14 HE ARG 14 7.400 -3.593 3.711 132 1HH1 ARG 14 1HH1 ARG 14 6.018 -6.211 1.861 133 2HH1 ARG 14 2HH1 ARG 14 7.548 -6.778 1.284 134 1HH2 ARG 14 1HH2 ARG 14 9.415 -4.339 2.950 135 2HH2 ARG 14 2HH2 ARG 14 9.477 -5.715 1.902 136 H CYS 15 H CYS 15 7.296 -0.587 2.351 137 HA CYS 15 HA CYS 15 8.491 -0.672 4.996 138 1HB CYS 15 2HB CYS 15 9.263 -1.320 2.319 139 2HB CYS 15 1HB CYS 15 10.409 -0.158 2.960 140 HG CYS 15 HG CYS 15 11.248 -1.839 4.607 141 H SER 16 H SER 16 7.472 1.664 2.746 142 HA SER 16 HA SER 16 8.985 3.750 2.509 143 1HB SER 16 2HB SER 16 6.731 4.148 2.012 144 2HB SER 16 1HB SER 16 6.213 3.792 3.655 145 HG SER 16 HG SER 16 6.435 5.823 4.063 Start of MODEL 7 1 1H GLY 1 1HT GLY 1 -8.777 -0.040 -2.691 2 2H GLY 1 2HT GLY 1 -9.632 0.282 -4.114 3 3H GLY 1 3HT GLY 1 -10.435 0.286 -2.626 4 1HA GLY 1 1HA GLY 1 -9.184 2.426 -3.934 5 2HA GLY 1 2HA GLY 1 -10.067 2.440 -2.416 6 H ARG 2 H ARG 2 -8.886 1.992 -0.448 7 HA ARG 2 HA ARG 2 -6.032 2.681 -0.695 8 1HB ARG 2 2HB ARG 2 -8.165 3.641 1.122 9 2HB ARG 2 1HB ARG 2 -6.588 3.372 1.854 10 1HG ARG 2 2HG ARG 2 -5.986 5.376 1.142 11 2HG ARG 2 1HG ARG 2 -6.079 4.768 -0.511 12 1HD ARG 2 2HD ARG 2 -8.235 6.151 1.071 13 2HD ARG 2 1HD ARG 2 -7.425 6.733 -0.383 14 HE ARG 2 HE ARG 2 -8.565 4.438 -1.221 15 1HH1 ARG 2 1HH1 ARG 2 -9.818 7.194 0.520 16 2HH1 ARG 2 2HH1 ARG 2 -11.414 7.039 -0.130 17 1HH2 ARG 2 1HH2 ARG 2 -10.672 4.236 -2.077 18 2HH2 ARG 2 2HH2 ARG 2 -11.900 5.359 -1.600 19 H MET 3 H MET 3 -7.024 0.045 -0.837 20 HA MET 3 HA MET 3 -5.389 -1.205 1.137 21 1HB MET 3 2HB MET 3 -7.157 -2.577 2.177 22 2HB MET 3 1HB MET 3 -7.363 -0.866 2.527 23 1HG MET 3 2HG MET 3 -9.341 -0.772 1.504 24 2HG MET 3 1HG MET 3 -8.790 -1.745 0.142 25 1HE MET 3 1HE MET 3 -12.110 -2.880 2.053 26 2HE MET 3 2HE MET 3 -11.319 -1.306 1.960 27 3HE MET 3 3HE MET 3 -11.277 -2.228 3.463 28 H LEU 4 H LEU 4 -5.401 -1.118 -1.646 29 HA LEU 4 HA LEU 4 -5.108 -3.781 -2.333 30 1HB LEU 4 2HB LEU 4 -7.803 -2.868 -2.516 31 2HB LEU 4 1HB LEU 4 -7.204 -3.243 -4.120 32 HG LEU 4 HG LEU 4 -6.458 -5.377 -2.380 33 1HD1 LEU 4 1HD1 LEU 4 -8.647 -4.202 -1.293 34 2HD1 LEU 4 2HD1 LEU 4 -8.265 -5.920 -1.167 35 3HD1 LEU 4 3HD1 LEU 4 -9.391 -5.355 -2.400 36 1HD2 LEU 4 1HD2 LEU 4 -8.027 -4.946 -4.846 37 2HD2 LEU 4 2HD2 LEU 4 -8.334 -6.440 -3.963 38 3HD2 LEU 4 3HD2 LEU 4 -6.704 -6.066 -4.520 39 HA PRO 5 HA PRO 5 -4.654 -1.088 -6.226 40 1HB PRO 5 2HB PRO 5 -5.732 1.543 -5.504 41 2HB PRO 5 1HB PRO 5 -6.230 0.456 -6.808 42 1HG PRO 5 2HG PRO 5 -7.848 0.847 -4.714 43 2HG PRO 5 1HG PRO 5 -7.651 -0.780 -5.406 44 1HD PRO 5 2HD PRO 5 -6.190 0.400 -3.064 45 2HD PRO 5 1HD PRO 5 -7.177 -1.087 -3.124 46 H GLN 6 H GLN 6 -4.071 0.142 -3.075 47 HA GLN 6 HA GLN 6 -1.650 1.535 -4.000 48 1HB GLN 6 2HB GLN 6 -3.313 1.946 -1.510 49 2HB GLN 6 1HB GLN 6 -1.744 2.697 -1.769 50 1HG GLN 6 2HG GLN 6 -2.711 3.694 -3.876 51 2HG GLN 6 1HG GLN 6 -4.284 3.143 -3.304 52 1HE2 GLN 6 1HE2 GLN 6 -3.924 3.617 -0.569 53 2HE2 GLN 6 2HE2 GLN 6 -3.864 5.325 -0.314 54 H LEU 7 H LEU 7 -2.876 -1.164 -2.332 55 HA LEU 7 HA LEU 7 -0.965 -1.645 -0.378 56 1HB LEU 7 2HB LEU 7 -3.084 -2.902 -0.702 57 2HB LEU 7 1HB LEU 7 -2.358 -3.697 -2.085 58 HG LEU 7 HG LEU 7 -0.516 -4.222 -0.133 59 1HD1 LEU 7 1HD1 LEU 7 -2.254 -5.187 1.644 60 2HD1 LEU 7 2HD1 LEU 7 -3.141 -3.748 1.142 61 3HD1 LEU 7 3HD1 LEU 7 -1.513 -3.595 1.800 62 1HD2 LEU 7 1HD2 LEU 7 -2.819 -6.080 -0.390 63 2HD2 LEU 7 2HD2 LEU 7 -1.087 -6.401 -0.479 64 3HD2 LEU 7 3HD2 LEU 7 -1.919 -5.666 -1.850 65 H VAL 8 H VAL 8 -0.705 -1.807 -3.800 66 HA VAL 8 HA VAL 8 1.643 -3.499 -3.783 67 HB VAL 8 HB VAL 8 0.475 -1.966 -6.101 68 1HG1 VAL 8 1HG1 VAL 8 2.309 -4.360 -6.047 69 2HG1 VAL 8 2HG1 VAL 8 2.805 -2.702 -6.386 70 3HG1 VAL 8 3HG1 VAL 8 1.703 -3.535 -7.483 71 1HG2 VAL 8 1HG2 VAL 8 -0.339 -4.491 -4.810 72 2HG2 VAL 8 2HG2 VAL 8 -0.247 -4.512 -6.571 73 3HG2 VAL 8 3HG2 VAL 8 -1.284 -3.340 -5.756 74 H CYS 9 H CYS 9 1.085 -0.353 -5.276 75 HA CYS 9 HA CYS 9 3.747 0.423 -5.377 76 1HB CYS 9 2HB CYS 9 1.788 1.590 -6.495 77 2HB CYS 9 1HB CYS 9 1.436 2.328 -4.936 78 HG CYS 9 HG CYS 9 4.129 3.171 -5.347 79 H ARG 10 H ARG 10 1.371 0.753 -2.758 80 HA ARG 10 HA ARG 10 3.154 2.262 -1.159 81 1HB ARG 10 2HB ARG 10 0.772 2.168 -0.544 82 2HB ARG 10 1HB ARG 10 0.966 0.460 -0.142 83 1HG ARG 10 2HG ARG 10 3.033 1.743 1.243 84 2HG ARG 10 1HG ARG 10 1.619 2.801 1.426 85 1HD ARG 10 2HD ARG 10 1.618 -0.163 1.989 86 2HD ARG 10 1HD ARG 10 1.802 1.092 3.215 87 HE ARG 10 HE ARG 10 -0.568 1.307 1.572 88 1HH1 ARG 10 1HH1 ARG 10 0.816 0.047 4.521 89 2HH1 ARG 10 2HH1 ARG 10 -0.711 -0.081 5.327 90 1HH2 ARG 10 1HH2 ARG 10 -2.573 1.141 2.634 91 2HH2 ARG 10 2HH2 ARG 10 -2.634 0.542 4.258 92 H LEU 11 H LEU 11 2.541 -1.180 -1.474 93 HA LEU 11 HA LEU 11 3.948 -2.405 0.386 94 1HB LEU 11 2HB LEU 11 3.087 -3.210 -2.036 95 2HB LEU 11 1HB LEU 11 4.814 -3.169 -2.339 96 HG LEU 11 HG LEU 11 4.226 -5.397 -1.714 97 1HD1 LEU 11 1HD1 LEU 11 6.336 -4.811 -0.851 98 2HD1 LEU 11 2HD1 LEU 11 5.493 -5.628 0.465 99 3HD1 LEU 11 3HD1 LEU 11 5.626 -3.869 0.461 100 1HD2 LEU 11 1HD2 LEU 11 2.631 -4.019 0.368 101 2HD2 LEU 11 2HD2 LEU 11 3.340 -5.578 0.786 102 3HD2 LEU 11 3HD2 LEU 11 2.251 -5.446 -0.594 103 H VAL 12 H VAL 12 5.183 -0.583 -2.318 104 HA VAL 12 HA VAL 12 7.884 -0.896 -1.692 105 HB VAL 12 HB VAL 12 6.712 1.608 -2.888 106 1HG1 VAL 12 1HG1 VAL 12 9.035 1.205 -4.183 107 2HG1 VAL 12 2HG1 VAL 12 9.420 0.471 -2.627 108 3HG1 VAL 12 3HG1 VAL 12 8.896 2.153 -2.703 109 1HG2 VAL 12 1HG2 VAL 12 5.843 0.211 -4.440 110 2HG2 VAL 12 2HG2 VAL 12 6.949 -1.101 -4.034 111 3HG2 VAL 12 3HG2 VAL 12 7.493 0.225 -5.061 112 H LEU 13 H LEU 13 5.444 1.419 -0.796 113 HA LEU 13 HA LEU 13 7.181 2.472 1.240 114 1HB LEU 13 2HB LEU 13 4.481 3.504 1.305 115 2HB LEU 13 1HB LEU 13 6.031 4.333 1.373 116 HG LEU 13 HG LEU 13 4.936 3.231 -1.213 117 1HD1 LEU 13 1HD1 LEU 13 3.740 5.134 -1.655 118 2HD1 LEU 13 2HD1 LEU 13 4.642 6.105 -0.492 119 3HD1 LEU 13 3HD1 LEU 13 3.438 4.946 0.073 120 1HD2 LEU 13 1HD2 LEU 13 6.415 4.955 -2.169 121 2HD2 LEU 13 2HD2 LEU 13 7.295 3.769 -1.206 122 3HD2 LEU 13 3HD2 LEU 13 6.956 5.368 -0.542 123 H ARG 14 H ARG 14 5.361 -0.199 1.119 124 HA ARG 14 HA ARG 14 3.905 -0.174 3.502 125 1HB ARG 14 2HB ARG 14 3.548 -2.131 2.261 126 2HB ARG 14 1HB ARG 14 5.259 -2.350 1.931 127 1HG ARG 14 2HG ARG 14 4.565 -2.541 4.763 128 2HG ARG 14 1HG ARG 14 3.808 -3.767 3.746 129 1HD ARG 14 2HD ARG 14 5.823 -4.686 3.119 130 2HD ARG 14 1HD ARG 14 6.713 -3.193 3.409 131 HE ARG 14 HE ARG 14 5.645 -4.337 5.807 132 1HH1 ARG 14 1HH1 ARG 14 8.305 -4.457 3.551 133 2HH1 ARG 14 2HH1 ARG 14 9.418 -5.111 4.706 134 1HH2 ARG 14 1HH2 ARG 14 7.109 -5.200 7.326 135 2HH2 ARG 14 2HH2 ARG 14 8.738 -5.536 6.847 136 H CYS 15 H CYS 15 7.142 -0.581 2.486 137 HA CYS 15 HA CYS 15 8.339 -0.840 5.123 138 1HB CYS 15 2HB CYS 15 9.057 -1.545 2.528 139 2HB CYS 15 1HB CYS 15 10.101 -0.198 2.882 140 HG CYS 15 HG CYS 15 11.366 -2.281 3.666 141 H SER 16 H SER 16 8.003 1.382 2.457 142 HA SER 16 HA SER 16 9.367 3.491 3.831 143 1HB SER 16 2HB SER 16 9.132 2.894 1.172 144 2HB SER 16 1HB SER 16 8.036 4.264 1.361 145 HG SER 16 HG SER 16 9.734 5.476 1.415 Start of MODEL 8 1 1H GLY 1 1HT GLY 1 -12.296 2.802 -0.551 2 2H GLY 1 2HT GLY 1 -12.955 1.245 -0.493 3 3H GLY 1 3HT GLY 1 -12.854 2.066 -1.968 4 1HA GLY 1 1HA GLY 1 -11.093 0.242 -1.233 5 2HA GLY 1 2HA GLY 1 -10.691 1.596 -2.278 6 H ARG 2 H ARG 2 -8.984 2.755 -1.702 7 HA ARG 2 HA ARG 2 -7.244 3.573 -0.494 8 1HB ARG 2 2HB ARG 2 -9.638 4.035 1.063 9 2HB ARG 2 1HB ARG 2 -8.247 3.823 2.116 10 1HG ARG 2 2HG ARG 2 -8.585 6.163 1.587 11 2HG ARG 2 1HG ARG 2 -7.059 5.584 0.914 12 1HD ARG 2 2HD ARG 2 -9.490 5.471 -0.795 13 2HD ARG 2 1HD ARG 2 -8.746 7.043 -0.509 14 HE ARG 2 HE ARG 2 -6.672 5.426 -1.242 15 1HH1 ARG 2 1HH1 ARG 2 -9.729 6.308 -2.679 16 2HH1 ARG 2 2HH1 ARG 2 -9.154 6.140 -4.304 17 1HH2 ARG 2 1HH2 ARG 2 -5.916 5.205 -3.378 18 2HH2 ARG 2 2HH2 ARG 2 -6.990 5.512 -4.700 19 H MET 3 H MET 3 -7.463 0.753 -0.709 20 HA MET 3 HA MET 3 -5.440 -0.104 0.978 21 1HB MET 3 2HB MET 3 -6.720 -1.658 2.481 22 2HB MET 3 1HB MET 3 -6.913 0.048 2.855 23 1HG MET 3 2HG MET 3 -9.107 -0.044 2.552 24 2HG MET 3 1HG MET 3 -8.932 -0.860 1.000 25 1HE MET 3 1HE MET 3 -11.262 -2.659 4.010 26 2HE MET 3 2HE MET 3 -11.262 -1.182 3.045 27 3HE MET 3 3HE MET 3 -10.342 -1.254 4.548 28 H LEU 4 H LEU 4 -5.583 -0.505 -1.568 29 HA LEU 4 HA LEU 4 -5.508 -3.267 -1.917 30 1HB LEU 4 2HB LEU 4 -8.093 -2.191 -2.192 31 2HB LEU 4 1HB LEU 4 -7.537 -2.621 -3.798 32 HG LEU 4 HG LEU 4 -6.892 -4.828 -2.201 33 1HD1 LEU 4 1HD1 LEU 4 -8.846 -3.440 -0.828 34 2HD1 LEU 4 2HD1 LEU 4 -8.448 -5.147 -0.642 35 3HD1 LEU 4 3HD1 LEU 4 -9.749 -4.659 -1.728 36 1HD2 LEU 4 1HD2 LEU 4 -8.778 -4.162 -4.373 37 2HD2 LEU 4 2HD2 LEU 4 -9.104 -5.644 -3.473 38 3HD2 LEU 4 3HD2 LEU 4 -7.551 -5.425 -4.279 39 HA PRO 5 HA PRO 5 -4.654 -1.141 -6.071 40 1HB PRO 5 2HB PRO 5 -5.551 1.629 -5.790 41 2HB PRO 5 1HB PRO 5 -6.112 0.395 -6.925 42 1HG PRO 5 2HG PRO 5 -7.720 1.252 -4.954 43 2HG PRO 5 1HG PRO 5 -7.684 -0.464 -5.417 44 1HD PRO 5 2HD PRO 5 -6.158 0.868 -3.204 45 2HD PRO 5 1HD PRO 5 -7.283 -0.513 -3.104 46 H GLN 6 H GLN 6 -4.064 0.212 -3.049 47 HA GLN 6 HA GLN 6 -1.622 1.572 -3.950 48 1HB GLN 6 2HB GLN 6 -1.748 2.944 -2.035 49 2HB GLN 6 1HB GLN 6 -3.399 2.847 -2.632 50 1HG GLN 6 2HG GLN 6 -3.183 0.737 -0.842 51 2HG GLN 6 1HG GLN 6 -2.312 2.066 -0.077 52 1HE2 GLN 6 1HE2 GLN 6 -3.539 3.180 1.245 53 2HE2 GLN 6 2HE2 GLN 6 -5.219 3.528 1.038 54 H LEU 7 H LEU 7 -2.871 -1.137 -2.294 55 HA LEU 7 HA LEU 7 -0.962 -1.702 -0.382 56 1HB LEU 7 2HB LEU 7 -3.091 -2.936 -0.764 57 2HB LEU 7 1HB LEU 7 -2.347 -3.708 -2.150 58 HG LEU 7 HG LEU 7 -0.531 -4.332 -0.252 59 1HD1 LEU 7 1HD1 LEU 7 -2.240 -5.174 1.617 60 2HD1 LEU 7 2HD1 LEU 7 -3.062 -3.690 1.136 61 3HD1 LEU 7 3HD1 LEU 7 -1.398 -3.628 1.718 62 1HD2 LEU 7 1HD2 LEU 7 -2.917 -6.082 -0.331 63 2HD2 LEU 7 2HD2 LEU 7 -1.216 -6.468 -0.592 64 3HD2 LEU 7 3HD2 LEU 7 -2.153 -5.698 -1.874 65 H VAL 8 H VAL 8 -0.695 -1.815 -3.811 66 HA VAL 8 HA VAL 8 1.659 -3.498 -3.797 67 HB VAL 8 HB VAL 8 0.494 -1.963 -6.114 68 1HG1 VAL 8 1HG1 VAL 8 1.675 -4.121 -7.192 69 2HG1 VAL 8 2HG1 VAL 8 2.714 -3.879 -5.788 70 3HG1 VAL 8 3HG1 VAL 8 2.499 -2.579 -6.958 71 1HG2 VAL 8 1HG2 VAL 8 -0.225 -4.508 -6.590 72 2HG2 VAL 8 2HG2 VAL 8 -1.266 -3.341 -5.774 73 3HG2 VAL 8 3HG2 VAL 8 -0.320 -4.491 -4.829 74 H CYS 9 H CYS 9 1.078 -0.344 -5.266 75 HA CYS 9 HA CYS 9 3.737 0.448 -5.368 76 1HB CYS 9 2HB CYS 9 1.123 1.845 -5.479 77 2HB CYS 9 1HB CYS 9 2.505 2.847 -5.046 78 HG CYS 9 HG CYS 9 1.907 2.529 -7.739 79 H ARG 10 H ARG 10 1.369 0.738 -2.741 80 HA ARG 10 HA ARG 10 3.142 2.248 -1.136 81 1HB ARG 10 2HB ARG 10 0.768 2.134 -0.509 82 2HB ARG 10 1HB ARG 10 0.969 0.421 -0.130 83 1HG ARG 10 2HG ARG 10 3.039 1.744 1.250 84 2HG ARG 10 1HG ARG 10 1.580 2.727 1.485 85 1HD ARG 10 2HD ARG 10 1.706 -0.250 1.951 86 2HD ARG 10 1HD ARG 10 1.904 0.962 3.216 87 HE ARG 10 HE ARG 10 -0.532 1.200 1.690 88 1HH1 ARG 10 1HH1 ARG 10 0.996 -0.226 4.486 89 2HH1 ARG 10 2HH1 ARG 10 -0.494 -0.462 5.335 90 1HH2 ARG 10 1HH2 ARG 10 -2.492 0.889 2.804 91 2HH2 ARG 10 2HH2 ARG 10 -2.475 0.168 4.380 92 H LEU 11 H LEU 11 2.540 -1.196 -1.455 93 HA LEU 11 HA LEU 11 3.962 -2.437 0.373 94 1HB LEU 11 2HB LEU 11 3.091 -3.234 -2.034 95 2HB LEU 11 1HB LEU 11 4.805 -3.137 -2.383 96 HG LEU 11 HG LEU 11 4.069 -5.408 -1.732 97 1HD1 LEU 11 1HD1 LEU 11 6.010 -4.016 0.101 98 2HD1 LEU 11 2HD1 LEU 11 6.371 -4.851 -1.409 99 3HD1 LEU 11 3HD1 LEU 11 5.825 -5.767 -0.004 100 1HD2 LEU 11 1HD2 LEU 11 3.841 -4.626 1.107 101 2HD2 LEU 11 2HD2 LEU 11 3.017 -5.900 0.208 102 3HD2 LEU 11 3HD2 LEU 11 2.472 -4.228 0.068 103 H VAL 12 H VAL 12 5.187 -0.587 -2.314 104 HA VAL 12 HA VAL 12 7.889 -0.889 -1.684 105 HB VAL 12 HB VAL 12 6.650 1.568 -2.918 106 1HG1 VAL 12 1HG1 VAL 12 8.964 1.526 -4.101 107 2HG1 VAL 12 2HG1 VAL 12 9.439 0.510 -2.739 108 3HG1 VAL 12 3HG1 VAL 12 8.839 2.144 -2.454 109 1HG2 VAL 12 1HG2 VAL 12 6.341 -0.910 -3.942 110 2HG2 VAL 12 2HG2 VAL 12 7.873 -0.448 -4.682 111 3HG2 VAL 12 3HG2 VAL 12 6.442 0.552 -4.921 112 H LEU 13 H LEU 13 5.445 1.430 -0.799 113 HA LEU 13 HA LEU 13 7.176 2.476 1.244 114 1HB LEU 13 2HB LEU 13 4.491 3.539 1.290 115 2HB LEU 13 1HB LEU 13 6.052 4.349 1.351 116 HG LEU 13 HG LEU 13 4.843 3.264 -1.199 117 1HD1 LEU 13 1HD1 LEU 13 4.514 5.802 -1.609 118 2HD1 LEU 13 2HD1 LEU 13 4.530 5.911 0.152 119 3HD1 LEU 13 3HD1 LEU 13 3.320 4.917 -0.660 120 1HD2 LEU 13 1HD2 LEU 13 6.475 4.843 -2.220 121 2HD2 LEU 13 2HD2 LEU 13 7.221 3.509 -1.339 122 3HD2 LEU 13 3HD2 LEU 13 7.147 5.115 -0.611 123 H ARG 14 H ARG 14 5.339 -0.181 1.126 124 HA ARG 14 HA ARG 14 3.876 -0.120 3.510 125 1HB ARG 14 2HB ARG 14 3.525 -2.054 2.184 126 2HB ARG 14 1HB ARG 14 5.249 -2.353 2.013 127 1HG ARG 14 2HG ARG 14 3.995 -2.503 4.712 128 2HG ARG 14 1HG ARG 14 3.796 -3.841 3.578 129 1HD ARG 14 2HD ARG 14 6.539 -2.991 3.631 130 2HD ARG 14 1HD ARG 14 5.980 -3.321 5.270 131 HE ARG 14 HE ARG 14 6.386 -5.228 3.150 132 1HH1 ARG 14 1HH1 ARG 14 4.754 -4.588 6.168 133 2HH1 ARG 14 2HH1 ARG 14 4.550 -6.263 6.556 134 1HH2 ARG 14 1HH2 ARG 14 6.115 -7.431 3.659 135 2HH2 ARG 14 2HH2 ARG 14 5.321 -7.878 5.131 136 H CYS 15 H CYS 15 7.104 -0.574 2.483 137 HA CYS 15 HA CYS 15 8.304 -0.847 5.119 138 1HB CYS 15 2HB CYS 15 9.002 -1.549 2.503 139 2HB CYS 15 1HB CYS 15 10.096 -0.254 2.902 140 HG CYS 15 HG CYS 15 10.416 -2.011 5.153 141 H SER 16 H SER 16 7.985 1.368 2.446 142 HA SER 16 HA SER 16 9.385 3.468 3.802 143 1HB SER 16 2HB SER 16 9.133 2.854 1.145 144 2HB SER 16 1HB SER 16 8.068 4.248 1.331 145 HG SER 16 HG SER 16 9.886 5.300 2.367 Start of MODEL 9 1 1H GLY 1 1HT GLY 1 -11.242 -0.263 -4.593 2 2H GLY 1 2HT GLY 1 -10.711 -0.372 -2.992 3 3H GLY 1 3HT GLY 1 -9.589 -0.390 -4.257 4 1HA GLY 1 1HA GLY 1 -10.441 1.898 -4.866 5 2HA GLY 1 2HA GLY 1 -11.223 1.879 -3.293 6 H ARG 2 H ARG 2 -10.003 2.112 -1.439 7 HA ARG 2 HA ARG 2 -7.214 2.929 -1.897 8 1HB ARG 2 2HB ARG 2 -8.926 3.646 0.481 9 2HB ARG 2 1HB ARG 2 -7.400 4.373 -0.002 10 1HG ARG 2 2HG ARG 2 -9.476 4.539 -2.049 11 2HG ARG 2 1HG ARG 2 -9.882 5.372 -0.547 12 1HD ARG 2 2HD ARG 2 -8.772 6.925 -1.995 13 2HD ARG 2 1HD ARG 2 -7.685 6.529 -0.665 14 HE ARG 2 HE ARG 2 -6.949 4.779 -2.581 15 1HH1 ARG 2 1HH1 ARG 2 -7.400 8.240 -2.585 16 2HH1 ARG 2 2HH1 ARG 2 -6.203 8.520 -3.805 17 1HH2 ARG 2 1HH2 ARG 2 -5.374 5.145 -4.185 18 2HH2 ARG 2 2HH2 ARG 2 -5.054 6.764 -4.714 19 H MET 3 H MET 3 -7.821 0.204 -1.655 20 HA MET 3 HA MET 3 -6.050 -0.528 0.453 21 1HB MET 3 2HB MET 3 -7.688 -2.025 1.637 22 2HB MET 3 1HB MET 3 -7.946 -0.304 1.888 23 1HG MET 3 2HG MET 3 -9.637 -0.480 -0.030 24 2HG MET 3 1HG MET 3 -9.544 -2.219 0.236 25 1HE MET 3 1HE MET 3 -9.047 -1.640 3.761 26 2HE MET 3 2HE MET 3 -9.467 -3.055 2.797 27 3HE MET 3 3HE MET 3 -10.593 -2.451 4.013 28 H LEU 4 H LEU 4 -5.627 -0.981 -2.081 29 HA LEU 4 HA LEU 4 -5.259 -3.690 -2.351 30 1HB LEU 4 2HB LEU 4 -7.920 -3.083 -2.836 31 2HB LEU 4 1HB LEU 4 -7.210 -3.270 -4.427 32 HG LEU 4 HG LEU 4 -6.296 -5.452 -2.872 33 1HD1 LEU 4 1HD1 LEU 4 -8.006 -5.250 -1.279 34 2HD1 LEU 4 2HD1 LEU 4 -8.576 -6.479 -2.409 35 3HD1 LEU 4 3HD1 LEU 4 -9.210 -4.835 -2.499 36 1HD2 LEU 4 1HD2 LEU 4 -8.532 -5.791 -4.787 37 2HD2 LEU 4 2HD2 LEU 4 -7.005 -6.662 -4.660 38 3HD2 LEU 4 3HD2 LEU 4 -7.047 -5.060 -5.394 39 HA PRO 5 HA PRO 5 -4.321 -1.558 -6.503 40 1HB PRO 5 2HB PRO 5 -5.510 1.115 -6.300 41 2HB PRO 5 1HB PRO 5 -5.820 -0.153 -7.495 42 1HG PRO 5 2HG PRO 5 -7.705 0.477 -5.704 43 2HG PRO 5 1HG PRO 5 -7.406 -1.223 -6.132 44 1HD PRO 5 2HD PRO 5 -6.276 0.300 -3.806 45 2HD PRO 5 1HD PRO 5 -7.236 -1.205 -3.789 46 H GLN 6 H GLN 6 -4.173 0.082 -3.498 47 HA GLN 6 HA GLN 6 -1.725 1.507 -4.279 48 1HB GLN 6 2HB GLN 6 -3.554 2.876 -3.280 49 2HB GLN 6 1HB GLN 6 -3.446 1.905 -1.820 50 1HG GLN 6 2HG GLN 6 -0.939 2.634 -1.876 51 2HG GLN 6 1HG GLN 6 -1.554 3.938 -2.891 52 1HE2 GLN 6 1HE2 GLN 6 -1.643 2.481 0.275 53 2HE2 GLN 6 2HE2 GLN 6 -2.332 3.835 1.097 54 H LEU 7 H LEU 7 -2.990 -1.132 -2.513 55 HA LEU 7 HA LEU 7 -1.156 -1.427 -0.441 56 1HB LEU 7 2HB LEU 7 -3.306 -2.745 -0.976 57 2HB LEU 7 1HB LEU 7 -2.270 -3.756 -1.964 58 HG LEU 7 HG LEU 7 -1.400 -3.302 0.835 59 1HD1 LEU 7 1HD1 LEU 7 -2.965 -5.436 1.242 60 2HD1 LEU 7 2HD1 LEU 7 -3.970 -4.553 0.092 61 3HD1 LEU 7 3HD1 LEU 7 -3.471 -3.785 1.600 62 1HD2 LEU 7 1HD2 LEU 7 -1.187 -5.926 0.382 63 2HD2 LEU 7 2HD2 LEU 7 0.030 -4.762 -0.143 64 3HD2 LEU 7 3HD2 LEU 7 -1.179 -5.353 -1.286 65 H VAL 8 H VAL 8 -0.752 -1.798 -3.821 66 HA VAL 8 HA VAL 8 1.591 -3.481 -3.629 67 HB VAL 8 HB VAL 8 0.538 -2.035 -6.051 68 1HG1 VAL 8 1HG1 VAL 8 2.067 -3.139 -7.289 69 2HG1 VAL 8 2HG1 VAL 8 1.980 -4.593 -6.294 70 3HG1 VAL 8 3HG1 VAL 8 2.944 -3.216 -5.760 71 1HG2 VAL 8 1HG2 VAL 8 -0.330 -4.547 -4.735 72 2HG2 VAL 8 2HG2 VAL 8 -0.251 -4.533 -6.498 73 3HG2 VAL 8 3HG2 VAL 8 -1.265 -3.364 -5.650 74 H CYS 9 H CYS 9 1.033 -0.365 -5.186 75 HA CYS 9 HA CYS 9 3.683 0.437 -5.311 76 1HB CYS 9 2HB CYS 9 1.710 1.597 -6.401 77 2HB CYS 9 1HB CYS 9 1.352 2.313 -4.833 78 HG CYS 9 HG CYS 9 4.081 2.908 -6.189 79 H ARG 10 H ARG 10 1.349 0.684 -2.657 80 HA ARG 10 HA ARG 10 3.119 2.214 -1.058 81 1HB ARG 10 2HB ARG 10 0.800 2.139 -0.363 82 2HB ARG 10 1HB ARG 10 0.908 0.393 -0.130 83 1HG ARG 10 2HG ARG 10 3.038 1.662 1.329 84 2HG ARG 10 1HG ARG 10 1.487 2.432 1.740 85 1HD ARG 10 2HD ARG 10 1.640 -0.546 1.631 86 2HD ARG 10 1HD ARG 10 2.311 0.296 3.028 87 HE ARG 10 HE ARG 10 -0.472 -0.008 2.347 88 1HH1 ARG 10 1HH1 ARG 10 1.862 1.841 4.168 89 2HH1 ARG 10 2HH1 ARG 10 0.701 2.409 5.319 90 1HH2 ARG 10 1HH2 ARG 10 -2.002 0.739 3.861 91 2HH2 ARG 10 2HH2 ARG 10 -1.492 1.784 5.146 92 H LEU 11 H LEU 11 2.573 -1.228 -1.441 93 HA LEU 11 HA LEU 11 4.008 -2.462 0.388 94 1HB LEU 11 2HB LEU 11 3.113 -3.285 -1.981 95 2HB LEU 11 1HB LEU 11 4.809 -3.124 -2.397 96 HG LEU 11 HG LEU 11 4.438 -5.397 -1.799 97 1HD1 LEU 11 1HD1 LEU 11 6.393 -3.962 -0.721 98 2HD1 LEU 11 2HD1 LEU 11 6.178 -5.675 -0.365 99 3HD1 LEU 11 3HD1 LEU 11 5.587 -4.459 0.767 100 1HD2 LEU 11 1HD2 LEU 11 3.690 -5.609 0.796 101 2HD2 LEU 11 2HD2 LEU 11 2.585 -5.734 -0.572 102 3HD2 LEU 11 3HD2 LEU 11 2.751 -4.205 0.290 103 H VAL 12 H VAL 12 5.189 -0.579 -2.294 104 HA VAL 12 HA VAL 12 7.903 -0.845 -1.700 105 HB VAL 12 HB VAL 12 6.608 1.609 -2.882 106 1HG1 VAL 12 1HG1 VAL 12 8.812 1.866 -4.015 107 2HG1 VAL 12 2HG1 VAL 12 9.418 0.529 -3.038 108 3HG1 VAL 12 3HG1 VAL 12 8.888 2.020 -2.260 109 1HG2 VAL 12 1HG2 VAL 12 5.866 -0.197 -4.225 110 2HG2 VAL 12 2HG2 VAL 12 7.458 -0.955 -4.210 111 3HG2 VAL 12 3HG2 VAL 12 7.206 0.551 -5.094 112 H LEU 13 H LEU 13 5.423 1.406 -0.754 113 HA LEU 13 HA LEU 13 7.154 2.497 1.260 114 1HB LEU 13 2HB LEU 13 4.394 3.372 1.389 115 2HB LEU 13 1HB LEU 13 5.897 4.285 1.482 116 HG LEU 13 HG LEU 13 4.844 3.204 -1.131 117 1HD1 LEU 13 1HD1 LEU 13 3.546 5.045 -1.502 118 2HD1 LEU 13 2HD1 LEU 13 4.443 6.047 -0.360 119 3HD1 LEU 13 3HD1 LEU 13 3.302 4.839 0.233 120 1HD2 LEU 13 1HD2 LEU 13 6.215 5.155 -1.969 121 2HD2 LEU 13 2HD2 LEU 13 7.123 3.812 -1.274 122 3HD2 LEU 13 3HD2 LEU 13 6.866 5.283 -0.335 123 H ARG 14 H ARG 14 5.462 -0.265 1.140 124 HA ARG 14 HA ARG 14 4.064 -0.359 3.551 125 1HB ARG 14 2HB ARG 14 5.159 -2.320 1.713 126 2HB ARG 14 1HB ARG 14 5.435 -2.815 3.369 127 1HG ARG 14 2HG ARG 14 2.765 -1.915 3.213 128 2HG ARG 14 1HG ARG 14 3.042 -2.980 1.835 129 1HD ARG 14 2HD ARG 14 2.298 -4.348 3.624 130 2HD ARG 14 1HD ARG 14 4.028 -4.637 3.443 131 HE ARG 14 HE ARG 14 3.486 -2.608 5.368 132 1HH1 ARG 14 1HH1 ARG 14 3.542 -6.065 4.894 133 2HH1 ARG 14 2HH1 ARG 14 3.818 -6.415 6.567 134 1HH2 ARG 14 1HH2 ARG 14 3.849 -3.067 7.569 135 2HH2 ARG 14 2HH2 ARG 14 3.993 -4.714 8.086 136 H CYS 15 H CYS 15 7.299 -0.593 2.474 137 HA CYS 15 HA CYS 15 8.567 -0.795 5.079 138 1HB CYS 15 2HB CYS 15 9.263 -1.425 2.463 139 2HB CYS 15 1HB CYS 15 10.229 -0.015 2.802 140 HG CYS 15 HG CYS 15 10.415 -2.445 4.726 141 H SER 16 H SER 16 8.069 1.443 2.449 142 HA SER 16 HA SER 16 9.337 3.603 3.829 143 1HB SER 16 2HB SER 16 9.069 3.041 1.168 144 2HB SER 16 1HB SER 16 7.898 4.337 1.407 145 HG SER 16 HG SER 16 10.674 4.373 1.638 Start of MODEL 10 1 1H GLY 1 1HT GLY 1 -11.781 2.761 -1.740 2 2H GLY 1 2HT GLY 1 -10.689 3.665 -0.817 3 3H GLY 1 3HT GLY 1 -11.155 2.122 -0.303 4 1HA GLY 1 1HA GLY 1 -9.874 1.035 -1.845 5 2HA GLY 1 2HA GLY 1 -9.873 2.420 -2.927 6 H ARG 2 H ARG 2 -9.193 2.638 0.505 7 HA ARG 2 HA ARG 2 -6.500 3.581 -0.156 8 1HB ARG 2 2HB ARG 2 -8.249 3.922 2.276 9 2HB ARG 2 1HB ARG 2 -6.550 4.370 2.271 10 1HG ARG 2 2HG ARG 2 -7.794 6.338 1.847 11 2HG ARG 2 1HG ARG 2 -7.041 5.866 0.323 12 1HD ARG 2 2HD ARG 2 -9.627 4.628 0.608 13 2HD ARG 2 1HD ARG 2 -9.752 6.376 0.800 14 HE ARG 2 HE ARG 2 -9.079 4.927 -1.605 15 1HH1 ARG 2 1HH1 ARG 2 -8.975 8.005 0.043 16 2HH1 ARG 2 2HH1 ARG 2 -8.840 8.922 -1.418 17 1HH2 ARG 2 1HH2 ARG 2 -8.901 6.135 -3.526 18 2HH2 ARG 2 2HH2 ARG 2 -8.798 7.863 -3.444 19 H MET 3 H MET 3 -6.957 0.815 -0.290 20 HA MET 3 HA MET 3 -4.812 -0.182 1.204 21 1HB MET 3 2HB MET 3 -6.128 -1.758 2.689 22 2HB MET 3 1HB MET 3 -6.122 -0.068 3.177 23 1HG MET 3 2HG MET 3 -8.343 -0.851 1.424 24 2HG MET 3 1HG MET 3 -8.331 -1.613 3.013 25 1HE MET 3 1HE MET 3 -10.035 -0.897 4.231 26 2HE MET 3 2HE MET 3 -10.969 0.105 3.120 27 3HE MET 3 3HE MET 3 -10.496 0.740 4.696 28 H LEU 4 H LEU 4 -5.750 -0.272 -1.445 29 HA LEU 4 HA LEU 4 -5.644 -3.098 -1.903 30 1HB LEU 4 2HB LEU 4 -7.770 -1.976 -3.534 31 2HB LEU 4 1HB LEU 4 -7.685 -3.524 -2.719 32 HG LEU 4 HG LEU 4 -8.185 -1.080 -1.076 33 1HD1 LEU 4 1HD1 LEU 4 -10.595 -1.304 -1.477 34 2HD1 LEU 4 2HD1 LEU 4 -10.263 -2.475 -2.753 35 3HD1 LEU 4 3HD1 LEU 4 -9.721 -0.806 -2.926 36 1HD2 LEU 4 1HD2 LEU 4 -9.713 -3.545 -0.670 37 2HD2 LEU 4 2HD2 LEU 4 -8.823 -2.555 0.487 38 3HD2 LEU 4 3HD2 LEU 4 -7.967 -3.737 -0.504 39 HA PRO 5 HA PRO 5 -4.891 -0.834 -5.999 40 1HB PRO 5 2HB PRO 5 -5.577 1.975 -5.538 41 2HB PRO 5 1HB PRO 5 -6.270 0.841 -6.706 42 1HG PRO 5 2HG PRO 5 -7.730 1.682 -4.622 43 2HG PRO 5 1HG PRO 5 -7.810 -0.012 -5.156 44 1HD PRO 5 2HD PRO 5 -6.102 1.142 -2.975 45 2HD PRO 5 1HD PRO 5 -7.299 -0.177 -2.866 46 H GLN 6 H GLN 6 -4.039 0.474 -2.975 47 HA GLN 6 HA GLN 6 -1.529 1.572 -4.043 48 1HB GLN 6 2HB GLN 6 -2.523 2.091 -1.258 49 2HB GLN 6 1HB GLN 6 -1.417 3.049 -2.233 50 1HG GLN 6 2HG GLN 6 -3.543 3.327 -3.761 51 2HG GLN 6 1HG GLN 6 -4.384 2.963 -2.255 52 1HE2 GLN 6 1HE2 GLN 6 -4.535 4.494 -0.715 53 2HE2 GLN 6 2HE2 GLN 6 -3.868 6.083 -0.846 54 H LEU 7 H LEU 7 -2.922 -0.991 -2.290 55 HA LEU 7 HA LEU 7 -1.069 -1.671 -0.383 56 1HB LEU 7 2HB LEU 7 -3.267 -2.819 -1.020 57 2HB LEU 7 1HB LEU 7 -2.320 -3.716 -2.190 58 HG LEU 7 HG LEU 7 -0.920 -4.601 -0.356 59 1HD1 LEU 7 1HD1 LEU 7 -2.236 -4.291 1.951 60 2HD1 LEU 7 2HD1 LEU 7 -2.583 -2.728 1.210 61 3HD1 LEU 7 3HD1 LEU 7 -0.912 -3.240 1.449 62 1HD2 LEU 7 1HD2 LEU 7 -3.668 -5.240 0.523 63 2HD2 LEU 7 2HD2 LEU 7 -2.346 -6.310 0.057 64 3HD2 LEU 7 3HD2 LEU 7 -3.301 -5.496 -1.182 65 H VAL 8 H VAL 8 -0.749 -1.829 -3.821 66 HA VAL 8 HA VAL 8 1.595 -3.521 -3.742 67 HB VAL 8 HB VAL 8 0.486 -2.004 -6.099 68 1HG1 VAL 8 1HG1 VAL 8 2.689 -3.927 -5.713 69 2HG1 VAL 8 2HG1 VAL 8 2.495 -2.646 -6.909 70 3HG1 VAL 8 3HG1 VAL 8 1.669 -4.188 -7.127 71 1HG2 VAL 8 1HG2 VAL 8 -0.233 -4.565 -6.545 72 2HG2 VAL 8 2HG2 VAL 8 -1.288 -3.365 -5.799 73 3HG2 VAL 8 3HG2 VAL 8 -0.386 -4.495 -4.789 74 H CYS 9 H CYS 9 1.074 -0.384 -5.268 75 HA CYS 9 HA CYS 9 3.732 0.394 -5.359 76 1HB CYS 9 2HB CYS 9 1.148 1.914 -5.302 77 2HB CYS 9 1HB CYS 9 2.660 2.803 -5.151 78 HG CYS 9 HG CYS 9 1.564 2.201 -7.705 79 H ARG 10 H ARG 10 1.390 0.623 -2.735 80 HA ARG 10 HA ARG 10 3.092 2.160 -1.087 81 1HB ARG 10 2HB ARG 10 0.730 1.939 -0.477 82 2HB ARG 10 1HB ARG 10 0.978 0.218 -0.176 83 1HG ARG 10 2HG ARG 10 2.030 0.568 1.791 84 2HG ARG 10 1HG ARG 10 2.836 2.048 1.233 85 1HD ARG 10 2HD ARG 10 1.324 2.866 2.794 86 2HD ARG 10 1HD ARG 10 0.410 3.029 1.293 87 HE ARG 10 HE ARG 10 -0.349 0.606 2.142 88 1HH1 ARG 10 1HH1 ARG 10 -0.160 3.682 3.786 89 2HH1 ARG 10 2HH1 ARG 10 -1.464 3.326 4.867 90 1HH2 ARG 10 1HH2 ARG 10 -2.067 0.139 3.563 91 2HH2 ARG 10 2HH2 ARG 10 -2.547 1.316 4.741 92 H LEU 11 H LEU 11 2.602 -1.300 -1.449 93 HA LEU 11 HA LEU 11 4.079 -2.512 0.356 94 1HB LEU 11 2HB LEU 11 3.194 -3.355 -2.003 95 2HB LEU 11 1HB LEU 11 4.875 -3.125 -2.449 96 HG LEU 11 HG LEU 11 4.542 -5.427 -1.850 97 1HD1 LEU 11 1HD1 LEU 11 6.355 -5.687 -0.469 98 2HD1 LEU 11 2HD1 LEU 11 5.878 -4.358 0.589 99 3HD1 LEU 11 3HD1 LEU 11 6.575 -4.017 -0.995 100 1HD2 LEU 11 1HD2 LEU 11 2.526 -5.068 -0.460 101 2HD2 LEU 11 2HD2 LEU 11 3.561 -4.456 0.830 102 3HD2 LEU 11 3HD2 LEU 11 3.711 -6.131 0.299 103 H VAL 12 H VAL 12 5.219 -0.601 -2.326 104 HA VAL 12 HA VAL 12 7.939 -0.805 -1.711 105 HB VAL 12 HB VAL 12 6.607 1.623 -2.910 106 1HG1 VAL 12 1HG1 VAL 12 8.985 1.468 -4.136 107 2HG1 VAL 12 2HG1 VAL 12 9.405 0.733 -2.589 108 3HG1 VAL 12 3HG1 VAL 12 8.728 2.361 -2.636 109 1HG2 VAL 12 1HG2 VAL 12 6.377 -0.865 -3.959 110 2HG2 VAL 12 2HG2 VAL 12 7.867 -0.316 -4.726 111 3HG2 VAL 12 3HG2 VAL 12 6.384 0.619 -4.913 112 H LEU 13 H LEU 13 5.404 1.400 -0.790 113 HA LEU 13 HA LEU 13 7.088 2.511 1.254 114 1HB LEU 13 2HB LEU 13 4.349 3.429 1.314 115 2HB LEU 13 1HB LEU 13 5.865 4.318 1.402 116 HG LEU 13 HG LEU 13 4.773 3.209 -1.187 117 1HD1 LEU 13 1HD1 LEU 13 4.336 5.836 -1.421 118 2HD1 LEU 13 2HD1 LEU 13 4.045 5.651 0.308 119 3HD1 LEU 13 3HD1 LEU 13 3.111 4.704 -0.850 120 1HD2 LEU 13 1HD2 LEU 13 6.265 5.000 -2.113 121 2HD2 LEU 13 2HD2 LEU 13 7.104 3.674 -1.310 122 3HD2 LEU 13 3HD2 LEU 13 6.902 5.218 -0.483 123 H ARG 14 H ARG 14 5.382 -0.234 1.119 124 HA ARG 14 HA ARG 14 3.939 -0.266 3.516 125 1HB ARG 14 2HB ARG 14 3.654 -2.210 2.202 126 2HB ARG 14 1HB ARG 14 5.382 -2.408 1.960 127 1HG ARG 14 2HG ARG 14 4.592 -2.592 4.756 128 2HG ARG 14 1HG ARG 14 3.830 -3.809 3.730 129 1HD ARG 14 2HD ARG 14 5.799 -4.840 3.256 130 2HD ARG 14 1HD ARG 14 6.727 -3.344 3.341 131 HE ARG 14 HE ARG 14 5.728 -4.227 5.886 132 1HH1 ARG 14 1HH1 ARG 14 8.329 -4.520 3.578 133 2HH1 ARG 14 2HH1 ARG 14 9.486 -5.033 4.759 134 1HH2 ARG 14 1HH2 ARG 14 7.249 -4.901 7.442 135 2HH2 ARG 14 2HH2 ARG 14 8.873 -5.250 6.953 136 H CYS 15 H CYS 15 7.176 -0.552 2.459 137 HA CYS 15 HA CYS 15 8.408 -0.797 5.082 138 1HB CYS 15 2HB CYS 15 9.123 -1.428 2.453 139 2HB CYS 15 1HB CYS 15 10.152 -0.083 2.862 140 HG CYS 15 HG CYS 15 11.246 -1.484 4.708 141 H SER 16 H SER 16 7.963 1.435 2.440 142 HA SER 16 HA SER 16 9.263 3.585 3.819 143 1HB SER 16 2HB SER 16 9.023 2.999 1.155 144 2HB SER 16 1HB SER 16 7.885 4.330 1.369 145 HG SER 16 HG SER 16 10.653 4.294 1.595
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