NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
655122 | 7l54 | 30829 | 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 HN GLY 1 -6.880 -5.902 0.423 2 HA2 GLY 1 HA2 GLY 1 -5.142 -3.643 0.899 3 HA3 GLY 1 HA1 GLY 1 -5.692 -4.234 -0.657 4 H PHE 2 HN PHE 2 -5.740 -1.796 -0.783 5 HA PHE 2 HA PHE 2 -8.469 -0.925 -0.409 6 HB2 PHE 2 HB2 PHE 2 -7.861 1.173 0.690 7 HB3 PHE 2 HB1 PHE 2 -7.287 -0.170 1.664 8 HD1 PHE 2 HD1 PHE 2 -6.403 2.824 -0.124 9 HD2 PHE 2 HD2 PHE 2 -4.812 -0.730 1.604 10 HE1 PHE 2 HE1 PHE 2 -4.164 3.828 -0.131 11 HE2 PHE 2 HE2 PHE 2 -2.572 0.273 1.600 12 HZ PHE 2 HZ PHE 2 -2.243 2.557 0.733 13 H CYS 3 HN CYS 3 -8.837 1.078 -1.699 14 HA CYS 3 HA CYS 3 -6.772 1.574 -3.676 15 HB2 CYS 3 HB2 CYS 3 -8.308 -0.155 -4.595 16 HB3 CYS 3 HB1 CYS 3 -9.647 0.965 -4.387 17 H TRP 4 HN TRP 4 -6.342 3.602 -3.215 18 HA TRP 4 HA TRP 4 -8.553 5.536 -3.059 19 HB2 TRP 4 HB2 TRP 4 -7.742 5.077 -0.832 20 HB3 TRP 4 HB1 TRP 4 -6.097 5.393 -1.348 21 HD1 TRP 4 HD1 TRP 4 -5.290 7.681 -1.252 22 HE1 TRP 4 HE1 TRP 4 -6.257 10.050 -0.631 23 HE3 TRP 4 3HE TRP 4 -10.194 6.479 -1.108 24 HZ2 TRP 4 HZ2 TRP 4 -8.796 11.175 -0.194 25 HZ3 TRP 4 HZ3 TRP 4 -11.851 8.259 -0.631 26 HH2 TRP 4 2HH TRP 4 -11.150 10.534 -0.169 27 H HIS 5 HN HIS 5 -8.408 6.243 -5.056 28 HA HIS 5 HA HIS 5 -7.732 7.503 -6.772 29 HB2 HIS 5 HB2 HIS 5 -6.410 9.081 -4.560 30 HB3 HIS 5 HB1 HIS 5 -6.680 9.681 -6.190 31 HD1 HIS 5 HD1 HIS 5 -8.852 10.965 -6.463 32 HD2 HIS 5 HD2 HIS 5 -8.919 8.349 -3.249 33 HE1 HIS 5 HE1 HIS 5 -11.066 11.352 -5.219 34 H HIS 6 HN HIS 6 -6.498 5.622 -7.369 35 HA HIS 6 HA HIS 6 -4.802 4.755 -8.557 36 HB2 HIS 6 HB2 HIS 6 -3.444 7.445 -8.211 37 HB3 HIS 6 HB1 HIS 6 -2.819 6.152 -9.225 38 HD1 HIS 6 HD1 HIS 6 -4.900 9.119 -9.380 39 HD2 HIS 6 HD2 HIS 6 -4.713 5.475 -11.371 40 HE1 HIS 6 HE1 HIS 6 -6.232 9.421 -11.486 41 H SER 7 HN SER 7 -4.507 5.544 -5.333 42 HA SER 7 HA SER 7 -2.041 4.008 -5.133 43 HB2 SER 7 HB2 SER 7 -3.553 5.519 -2.986 44 HB3 SER 7 HB1 SER 7 -1.921 4.845 -2.862 45 HG SER 7 HG SER 7 -2.193 6.438 -5.013 46 H CYS 8 HN CYS 8 -2.881 2.029 -5.575 47 HA CYS 8 HA CYS 8 -4.917 1.062 -3.739 48 HB2 CYS 8 HB2 CYS 8 -4.773 0.410 -6.694 49 HB3 CYS 8 HB1 CYS 8 -6.015 -0.110 -5.556 50 H VAL 9 HN VAL 9 -3.860 -0.231 -2.502 51 HA VAL 9 HA VAL 9 -1.805 -1.980 -3.581 52 HB VAL 9 HB VAL 9 -2.666 -1.524 -0.698 53 HG11 VAL 9 HG11 VAL 9 -0.294 -3.014 -1.818 54 HG12 VAL 9 HG12 VAL 9 -1.682 -3.723 -0.991 55 HG13 VAL 9 3HG1 VAL 9 -0.566 -2.677 -0.110 56 HG21 VAL 9 HG21 VAL 9 -0.576 -0.258 -0.452 57 HG22 VAL 9 HG22 VAL 9 -1.639 0.481 -1.650 58 HG23 VAL 9 HG23 VAL 9 -0.249 -0.470 -2.171 59 HA PRO 10 HA PRO 10 -5.097 -5.036 -3.884 60 HB2 PRO 10 HB2 PRO 10 -2.764 -6.803 -4.348 61 HB3 PRO 10 HB1 PRO 10 -4.220 -6.594 -5.325 62 HG2 PRO 10 HG2 PRO 10 -1.940 -5.551 -6.161 63 HG3 PRO 10 HG1 PRO 10 -3.432 -4.605 -6.282 64 HD2 PRO 10 HD2 PRO 10 -1.256 -4.420 -4.227 65 HD3 PRO 10 HD1 PRO 10 -2.095 -3.129 -5.128 66 H SER 11 HN SER 11 -5.826 -6.790 -2.699 67 HA SER 11 HA SER 11 -4.929 -7.043 -0.040 68 HB2 SER 11 HB2 SER 11 -6.793 -8.803 -1.646 69 HB3 SER 11 HB1 SER 11 -6.634 -8.802 0.112 70 HG SER 11 HG SER 11 -8.385 -7.582 -0.675 71 H GLY 12 HN GLY 12 -3.105 -8.043 0.527 72 HA2 GLY 12 HA2 GLY 12 -2.129 -10.240 0.863 73 HA3 GLY 12 HA1 GLY 12 -2.433 -10.552 -0.846 74 H THR 13 HN THR 13 -1.675 -7.501 -1.001 75 HA THR 13 HA THR 13 0.991 -8.089 -1.793 76 HB THR 13 HB THR 13 -0.571 -5.498 -1.869 77 HG1 THR 13 HG1 THR 13 -0.963 -7.626 -3.199 78 HG21 THR 13 HG21 THR 13 1.136 -4.737 -3.465 79 HG22 THR 13 HG22 THR 13 2.011 -6.252 -3.267 80 HG23 THR 13 HG23 THR 13 1.887 -5.125 -1.915 81 H CYS 14 HN CYS 14 2.359 -8.348 -0.259 82 HA CYS 14 HA CYS 14 2.742 -6.169 1.648 83 HB2 CYS 14 HB2 CYS 14 3.451 -9.092 2.034 84 HB3 CYS 14 HB1 CYS 14 3.727 -7.803 3.195 85 H ALA 15 HN ALA 15 4.280 -4.989 0.838 86 HA ALA 15 HA ALA 15 6.812 -6.140 0.134 87 HB1 ALA 15 HB1 ALA 15 5.594 -6.446 -1.965 88 HB2 ALA 15 HB2 ALA 15 6.832 -5.200 -2.140 89 HB3 ALA 15 HB3 ALA 15 5.139 -4.742 -1.960 90 H ASP 16 HN ASP 16 8.212 -4.224 -0.720 91 HA ASP 16 HA ASP 16 7.777 -2.052 1.140 92 HB2 ASP 16 HB2 ASP 16 10.077 -1.387 0.604 93 HB3 ASP 16 HB1 ASP 16 10.004 -3.079 1.082 94 H PHE 17 HN PHE 17 7.421 -0.052 0.610 95 HA PHE 17 HA PHE 17 7.281 0.770 -2.187 96 HB2 PHE 17 HB2 PHE 17 5.281 1.309 0.042 97 HB3 PHE 17 HB1 PHE 17 5.272 2.139 -1.503 98 HD1 PHE 17 HD1 PHE 17 4.272 1.144 -3.412 99 HD2 PHE 17 HD2 PHE 17 4.760 -1.118 0.151 100 HE1 PHE 17 HE1 PHE 17 2.791 -0.594 -4.316 101 HE2 PHE 17 HE2 PHE 17 3.279 -2.865 -0.743 102 HZ PHE 17 HZ PHE 17 2.290 -2.605 -2.978 103 HA PRO 18 HA PRO 18 9.783 4.237 -0.917 104 HB2 PRO 18 HB2 PRO 18 7.576 5.981 -1.920 105 HB3 PRO 18 HB1 PRO 18 9.307 6.054 -2.264 106 HG2 PRO 18 HG2 PRO 18 7.650 5.052 -4.068 107 HG3 PRO 18 HG1 PRO 18 9.217 4.277 -3.768 108 HD2 PRO 18 HD2 PRO 18 6.489 3.428 -2.907 109 HD3 PRO 18 HD1 PRO 18 7.876 2.444 -3.411 110 H TRP 19 HN TRP 19 10.026 5.470 0.876 111 HA TRP 19 HA TRP 19 8.069 5.494 2.975 112 HB2 TRP 19 HB2 TRP 19 10.703 5.624 2.992 113 HB3 TRP 19 HB1 TRP 19 10.435 7.348 2.797 114 HD1 TRP 19 HD1 TRP 19 9.489 8.618 4.796 115 HE1 TRP 19 HE1 TRP 19 9.167 8.028 7.338 116 HE3 TRP 19 3HE TRP 19 10.127 3.662 4.478 117 HZ2 TRP 19 HZ2 TRP 19 9.190 5.700 8.926 118 HZ3 TRP 19 HZ3 TRP 19 9.958 2.261 6.524 119 HH2 TRP 19 2HH TRP 19 9.497 3.282 8.698 120 HA PRO 20 HA PRO 20 7.512 7.183 4.804 121 HB2 PRO 20 HB2 PRO 20 5.094 7.949 5.591 122 HB3 PRO 20 HB1 PRO 20 6.414 9.100 5.340 123 HG2 PRO 20 HG2 PRO 20 4.131 8.422 3.532 124 HG3 PRO 20 HG1 PRO 20 4.791 10.015 3.942 125 HD2 PRO 20 HD2 PRO 20 5.400 8.656 1.642 126 HD3 PRO 20 HD1 PRO 20 6.479 9.838 2.404 127 H LEU 21 HN LEU 21 5.954 5.645 2.316 128 HA LEU 21 HA LEU 21 4.167 4.112 3.915 129 HB2 LEU 21 HB2 LEU 21 5.227 3.655 1.128 130 HB3 LEU 21 HB1 LEU 21 4.215 2.479 1.931 131 HG LEU 21 HG LEU 21 2.416 4.210 2.080 132 HD11 LEU 21 HD11 LEU 21 3.742 6.220 1.939 133 HD12 LEU 21 HD12 LEU 21 2.545 6.174 0.640 134 HD13 LEU 21 HD13 LEU 21 4.237 5.798 0.300 135 HD21 LEU 21 HD21 LEU 21 2.379 2.536 0.330 136 HD22 LEU 21 HD22 LEU 21 3.409 3.545 -0.685 137 HD23 LEU 21 HD23 LEU 21 1.778 4.077 -0.281 138 H GLY 22 HN GLY 22 7.202 3.107 2.313 139 HA2 GLY 22 HA2 GLY 22 8.887 1.803 3.216 140 HA3 GLY 22 HA1 GLY 22 8.004 1.775 4.743 141 H HIS 23 HN HIS 23 7.758 -0.341 5.183 142 HA HIS 23 HA HIS 23 7.053 -2.112 3.017 143 HB2 HIS 23 HB2 HIS 23 8.612 -2.856 4.864 144 HB3 HIS 23 HB1 HIS 23 7.241 -2.770 5.967 145 HD1 HIS 23 HD1 HIS 23 5.649 -4.805 5.997 146 HD2 HIS 23 HD2 HIS 23 8.360 -4.849 2.846 147 HE1 HIS 23 HE1 HIS 23 5.422 -7.053 4.914 148 H GLN 24 HN GLN 24 5.079 -2.498 2.468 149 HA GLN 24 HA GLN 24 2.925 -1.803 4.341 150 HB2 GLN 24 HB2 GLN 24 2.952 -1.719 1.322 151 HB3 GLN 24 HB1 GLN 24 1.542 -1.422 2.321 152 HG2 GLN 24 HG2 GLN 24 4.065 0.220 2.385 153 HG3 GLN 24 HG1 GLN 24 2.620 0.622 1.459 154 HE21 GLN 24 1HE2 GLN 24 3.990 0.358 4.638 155 HE22 GLN 24 2HE2 GLN 24 2.784 1.270 5.455 156 H CYS 25 HN CYS 25 1.810 -3.501 4.971 157 HA CYS 25 HA CYS 25 1.669 -5.785 3.167 158 HB2 CYS 25 HB2 CYS 25 3.280 -6.294 4.971 159 HB3 CYS 25 HB1 CYS 25 2.045 -5.931 6.167 160 H PHE 26 HN PHE 26 -0.297 -5.425 2.446 161 HA PHE 26 HA PHE 26 -2.366 -5.147 4.485 162 HB2 PHE 26 HB2 PHE 26 -2.356 -4.200 1.613 163 HB3 PHE 26 HB1 PHE 26 -3.798 -4.229 2.620 164 HD1 PHE 26 HD1 PHE 26 -0.631 -2.538 1.951 165 HD2 PHE 26 HD2 PHE 26 -4.027 -2.691 4.508 166 HE1 PHE 26 HE1 PHE 26 -0.075 -0.305 2.853 167 HE2 PHE 26 HE2 PHE 26 -3.463 -0.487 5.403 168 HZ PHE 26 HZ PHE 26 -1.483 0.708 4.567 169 HA PRO 27 HA PRO 27 -3.285 -9.401 3.114 170 HB2 PRO 27 HB2 PRO 27 -5.113 -9.092 5.442 171 HB3 PRO 27 HB1 PRO 27 -3.983 -10.403 5.087 172 HG2 PRO 27 HG2 PRO 27 -3.435 -8.658 7.014 173 HG3 PRO 27 HG1 PRO 27 -2.157 -9.228 5.931 174 HD2 PRO 27 HD2 PRO 27 -3.643 -6.639 5.897 175 HD3 PRO 27 HD1 PRO 27 -1.912 -6.945 5.641 176 H ASP 28 HN ASP 28 -5.269 -6.735 4.073 177 HA ASP 28 HA ASP 28 -7.135 -7.308 1.921 178 HB2 ASP 28 HB2 ASP 28 -8.963 -6.264 3.208 179 HB3 ASP 28 HB1 ASP 28 -8.312 -7.614 4.117 Start of MODEL 2 1 H1 GLY 1 HN GLY 1 -5.879 -7.919 -0.287 2 HA2 GLY 1 HA2 GLY 1 -5.249 -5.127 -0.227 3 HA3 GLY 1 HA1 GLY 1 -5.442 -6.121 -1.657 4 H PHE 2 HN PHE 2 -6.413 -3.828 -2.120 5 HA PHE 2 HA PHE 2 -9.206 -4.104 -2.290 6 HB2 PHE 2 HB2 PHE 2 -9.845 -2.098 -0.933 7 HB3 PHE 2 HB1 PHE 2 -9.267 -3.453 0.020 8 HD1 PHE 2 HD1 PHE 2 -8.603 -0.022 -1.066 9 HD2 PHE 2 HD2 PHE 2 -7.162 -3.299 1.244 10 HE1 PHE 2 HE1 PHE 2 -7.037 1.473 0.084 11 HE2 PHE 2 HE2 PHE 2 -5.592 -1.801 2.388 12 HZ PHE 2 HZ PHE 2 -5.528 0.588 1.813 13 H CYS 3 HN CYS 3 -10.219 -2.142 -3.276 14 HA CYS 3 HA CYS 3 -8.284 -0.543 -4.781 15 HB2 CYS 3 HB2 CYS 3 -10.863 -1.730 -5.843 16 HB3 CYS 3 HB1 CYS 3 -9.847 -0.589 -6.699 17 H TRP 4 HN TRP 4 -8.489 1.392 -3.910 18 HA TRP 4 HA TRP 4 -11.166 2.535 -3.818 19 HB2 TRP 4 HB2 TRP 4 -10.823 3.568 -1.685 20 HB3 TRP 4 HB1 TRP 4 -10.283 1.914 -1.484 21 HD1 TRP 4 HD1 TRP 4 -7.234 2.333 -2.581 22 HE1 TRP 4 HE1 TRP 4 -5.578 3.639 -1.126 23 HE3 TRP 4 3HE TRP 4 -10.569 4.869 0.345 24 HZ2 TRP 4 HZ2 TRP 4 -5.676 5.523 0.986 25 HZ3 TRP 4 HZ3 TRP 4 -9.698 6.391 2.068 26 HH2 TRP 4 2HH TRP 4 -7.298 6.700 2.377 27 H HIS 5 HN HIS 5 -11.131 4.819 -4.403 28 HA HIS 5 HA HIS 5 -10.324 6.662 -5.578 29 HB2 HIS 5 HB2 HIS 5 -7.774 5.715 -4.294 30 HB3 HIS 5 HB1 HIS 5 -7.798 7.132 -5.304 31 HD1 HIS 5 HD1 HIS 5 -7.452 9.018 -3.716 32 HD2 HIS 5 HD2 HIS 5 -10.118 6.214 -2.212 33 HE1 HIS 5 HE1 HIS 5 -8.133 9.857 -1.431 34 H HIS 6 HN HIS 6 -10.323 3.872 -6.722 35 HA HIS 6 HA HIS 6 -9.770 2.744 -8.601 36 HB2 HIS 6 HB2 HIS 6 -10.324 4.957 -9.680 37 HB3 HIS 6 HB1 HIS 6 -8.627 5.391 -9.565 38 HD1 HIS 6 HD1 HIS 6 -7.496 5.136 -11.794 39 HD2 HIS 6 HD2 HIS 6 -10.552 2.370 -11.249 40 HE1 HIS 6 HE1 HIS 6 -7.620 3.822 -13.928 41 H SER 7 HN SER 7 -7.903 3.101 -6.319 42 HA SER 7 HA SER 7 -5.396 2.385 -7.639 43 HB2 SER 7 HB2 SER 7 -5.903 3.411 -4.839 44 HB3 SER 7 HB1 SER 7 -4.324 3.072 -5.552 45 HG SER 7 HG SER 7 -6.159 4.871 -6.706 46 H CYS 8 HN CYS 8 -5.000 0.267 -7.554 47 HA CYS 8 HA CYS 8 -6.423 -1.336 -5.571 48 HB2 CYS 8 HB2 CYS 8 -5.369 -2.057 -8.292 49 HB3 CYS 8 HB1 CYS 8 -6.010 -3.224 -7.141 50 H VAL 9 HN VAL 9 -5.308 -2.116 -4.006 51 HA VAL 9 HA VAL 9 -2.500 -2.687 -4.487 52 HB VAL 9 HB VAL 9 -2.220 -2.738 -1.990 53 HG11 VAL 9 HG11 VAL 9 -1.642 -0.751 -3.267 54 HG12 VAL 9 HG12 VAL 9 -2.253 -0.324 -1.670 55 HG13 VAL 9 3HG1 VAL 9 -3.290 -0.147 -3.088 56 HG21 VAL 9 HG21 VAL 9 -4.538 -3.171 -1.327 57 HG22 VAL 9 HG22 VAL 9 -5.020 -1.593 -1.947 58 HG23 VAL 9 HG23 VAL 9 -3.935 -1.701 -0.561 59 HA PRO 10 HA PRO 10 -3.840 -6.967 -4.523 60 HB2 PRO 10 HB2 PRO 10 -0.902 -7.384 -4.271 61 HB3 PRO 10 HB1 PRO 10 -2.028 -8.050 -5.459 62 HG2 PRO 10 HG2 PRO 10 -0.334 -6.131 -6.150 63 HG3 PRO 10 HG1 PRO 10 -1.998 -6.135 -6.761 64 HD2 PRO 10 HD2 PRO 10 -0.786 -4.495 -4.578 65 HD3 PRO 10 HD1 PRO 10 -1.944 -4.026 -5.848 66 H SER 11 HN SER 11 -3.601 -8.803 -3.038 67 HA SER 11 HA SER 11 -3.503 -7.965 -0.313 68 HB2 SER 11 HB2 SER 11 -3.875 -10.727 -1.494 69 HB3 SER 11 HB1 SER 11 -4.191 -10.273 0.181 70 HG SER 11 HG SER 11 -6.093 -10.258 -1.014 71 H GLY 12 HN GLY 12 -1.068 -8.564 -2.283 72 HA2 GLY 12 HA2 GLY 12 0.583 -9.865 -0.248 73 HA3 GLY 12 HA1 GLY 12 0.911 -9.892 -1.981 74 H THR 13 HN THR 13 -0.326 -6.940 -0.937 75 HA THR 13 HA THR 13 2.119 -5.607 -1.498 76 HB THR 13 HB THR 13 -0.422 -4.495 -0.267 77 HG1 THR 13 HG1 THR 13 -1.010 -5.094 -2.220 78 HG21 THR 13 HG21 THR 13 1.903 -3.080 -1.605 79 HG22 THR 13 HG22 THR 13 1.527 -3.040 0.117 80 HG23 THR 13 HG23 THR 13 0.419 -2.307 -1.044 81 H CYS 14 HN CYS 14 3.551 -6.305 -0.075 82 HA CYS 14 HA CYS 14 3.420 -4.997 2.511 83 HB2 CYS 14 HB2 CYS 14 2.644 -7.311 2.958 84 HB3 CYS 14 HB1 CYS 14 4.149 -7.926 2.283 85 H ALA 15 HN ALA 15 4.925 -3.609 2.173 86 HA ALA 15 HA ALA 15 7.646 -4.413 2.081 87 HB1 ALA 15 HB1 ALA 15 8.226 -3.264 -0.005 88 HB2 ALA 15 HB2 ALA 15 6.519 -2.948 -0.316 89 HB3 ALA 15 HB3 ALA 15 7.124 -4.606 -0.316 90 H ASP 16 HN ASP 16 9.026 -2.438 2.173 91 HA ASP 16 HA ASP 16 7.567 -0.325 3.531 92 HB2 ASP 16 HB2 ASP 16 9.729 0.343 4.474 93 HB3 ASP 16 HB1 ASP 16 9.433 -1.360 4.786 94 H PHE 17 HN PHE 17 7.613 1.725 2.838 95 HA PHE 17 HA PHE 17 9.164 2.437 0.460 96 HB2 PHE 17 HB2 PHE 17 6.223 3.070 0.875 97 HB3 PHE 17 HB1 PHE 17 7.183 3.598 -0.487 98 HD1 PHE 17 HD1 PHE 17 5.142 1.029 0.934 99 HD2 PHE 17 HD2 PHE 17 7.943 1.857 -2.150 100 HE1 PHE 17 HE1 PHE 17 4.393 -0.977 -0.272 101 HE2 PHE 17 HE2 PHE 17 7.200 -0.150 -3.365 102 HZ PHE 17 HZ PHE 17 5.417 -1.568 -2.418 103 HA PRO 18 HA PRO 18 9.472 5.076 4.326 104 HB2 PRO 18 HB2 PRO 18 11.909 6.178 3.408 105 HB3 PRO 18 HB1 PRO 18 11.709 4.932 4.638 106 HG2 PRO 18 HG2 PRO 18 12.428 4.668 1.780 107 HG3 PRO 18 HG1 PRO 18 12.833 3.621 3.144 108 HD2 PRO 18 HD2 PRO 18 11.008 2.943 1.276 109 HD3 PRO 18 HD1 PRO 18 10.882 2.411 2.961 110 H TRP 19 HN TRP 19 10.575 6.293 1.166 111 HA TRP 19 HA TRP 19 9.548 8.838 1.972 112 HB2 TRP 19 HB2 TRP 19 11.488 8.041 -0.114 113 HB3 TRP 19 HB1 TRP 19 10.672 9.598 -0.221 114 HD1 TRP 19 HD1 TRP 19 10.977 11.243 1.875 115 HE1 TRP 19 HE1 TRP 19 13.043 11.571 3.441 116 HE3 TRP 19 3HE TRP 19 13.378 6.856 0.945 117 HZ2 TRP 19 HZ2 TRP 19 15.368 10.108 4.155 118 HZ3 TRP 19 HZ3 TRP 19 15.502 6.376 2.102 119 HH2 TRP 19 2HH TRP 19 16.468 7.977 3.673 120 HA PRO 20 HA PRO 20 8.026 9.502 2.592 121 HB2 PRO 20 HB2 PRO 20 5.892 11.207 1.981 122 HB3 PRO 20 HB1 PRO 20 7.596 11.640 1.809 123 HG2 PRO 20 HG2 PRO 20 5.826 11.529 -0.303 124 HG3 PRO 20 HG1 PRO 20 7.569 11.359 -0.455 125 HD2 PRO 20 HD2 PRO 20 5.546 9.125 -0.189 126 HD3 PRO 20 HD1 PRO 20 6.836 9.314 -1.412 127 H LEU 21 HN LEU 21 6.820 7.046 2.021 128 HA LEU 21 HA LEU 21 3.990 7.355 2.724 129 HB2 LEU 21 HB2 LEU 21 5.437 5.020 1.511 130 HB3 LEU 21 HB1 LEU 21 3.727 5.046 1.847 131 HG LEU 21 HG LEU 21 5.183 6.769 -0.164 132 HD11 LEU 21 HD11 LEU 21 3.249 4.493 -0.535 133 HD12 LEU 21 HD12 LEU 21 4.983 4.452 -0.853 134 HD13 LEU 21 HD13 LEU 21 3.934 5.488 -1.821 135 HD21 LEU 21 HD21 LEU 21 2.948 7.509 -0.866 136 HD22 LEU 21 HD22 LEU 21 3.304 7.997 0.787 137 HD23 LEU 21 HD23 LEU 21 2.234 6.628 0.482 138 H GLY 22 HN GLY 22 6.467 4.857 3.349 139 HA2 GLY 22 HA2 GLY 22 7.105 4.732 5.783 140 HA3 GLY 22 HA1 GLY 22 5.371 4.635 6.069 141 H HIS 23 HN HIS 23 4.943 2.634 6.673 142 HA HIS 23 HA HIS 23 6.200 0.409 5.218 143 HB2 HIS 23 HB2 HIS 23 6.744 0.524 7.627 144 HB3 HIS 23 HB1 HIS 23 5.032 0.500 8.014 145 HD1 HIS 23 HD1 HIS 23 3.985 -1.774 8.312 146 HD2 HIS 23 HD2 HIS 23 7.716 -1.929 6.493 147 HE1 HIS 23 HE1 HIS 23 4.610 -4.213 8.223 148 H GLN 24 HN GLN 24 4.837 -0.539 3.781 149 HA GLN 24 HA GLN 24 1.953 -0.379 4.297 150 HB2 GLN 24 HB2 GLN 24 3.524 -0.314 1.757 151 HB3 GLN 24 HB1 GLN 24 1.876 -0.895 1.744 152 HG2 GLN 24 HG2 GLN 24 1.994 1.408 1.058 153 HG3 GLN 24 HG1 GLN 24 1.104 1.264 2.559 154 HE21 GLN 24 1HE2 GLN 24 1.881 2.248 4.357 155 HE22 GLN 24 2HE2 GLN 24 3.225 3.328 4.361 156 H CYS 25 HN CYS 25 1.303 -2.233 5.104 157 HA CYS 25 HA CYS 25 1.756 -4.588 3.494 158 HB2 CYS 25 HB2 CYS 25 2.265 -4.532 6.476 159 HB3 CYS 25 HB1 CYS 25 1.989 -6.022 5.584 160 H PHE 26 HN PHE 26 -0.040 -5.086 2.785 161 HA PHE 26 HA PHE 26 -2.416 -4.924 4.501 162 HB2 PHE 26 HB2 PHE 26 -2.246 -4.664 1.481 163 HB3 PHE 26 HB1 PHE 26 -3.717 -4.576 2.439 164 HD1 PHE 26 HD1 PHE 26 -0.862 -2.772 1.170 165 HD2 PHE 26 HD2 PHE 26 -4.039 -2.648 3.990 166 HE1 PHE 26 HE1 PHE 26 -0.557 -0.343 1.398 167 HE2 PHE 26 HE2 PHE 26 -3.736 -0.216 4.227 168 HZ PHE 26 HZ PHE 26 -1.995 0.937 2.928 169 HA PRO 27 HA PRO 27 -1.992 -9.406 3.803 170 HB2 PRO 27 HB2 PRO 27 -4.334 -9.443 5.613 171 HB3 PRO 27 HB1 PRO 27 -2.789 -10.281 5.775 172 HG2 PRO 27 HG2 PRO 27 -3.398 -8.199 7.339 173 HG3 PRO 27 HG1 PRO 27 -1.747 -8.454 6.747 174 HD2 PRO 27 HD2 PRO 27 -3.834 -6.543 5.775 175 HD3 PRO 27 HD1 PRO 27 -2.086 -6.299 5.996 176 H ASP 28 HN ASP 28 -4.762 -7.333 3.575 177 HA ASP 28 HA ASP 28 -5.901 -9.057 1.512 178 HB2 ASP 28 HB2 ASP 28 -7.177 -9.229 3.714 179 HB3 ASP 28 HB1 ASP 28 -7.542 -7.516 3.542 Start of MODEL 3 1 H1 GLY 1 HN GLY 1 -6.290 -5.926 -1.817 2 HA2 GLY 1 HA2 GLY 1 -5.138 -3.497 -0.768 3 HA3 GLY 1 HA1 GLY 1 -5.245 -3.966 -2.462 4 H PHE 2 HN PHE 2 -5.859 -1.649 -2.624 5 HA PHE 2 HA PHE 2 -8.703 -1.447 -2.693 6 HB2 PHE 2 HB2 PHE 2 -8.852 0.608 -1.326 7 HB3 PHE 2 HB1 PHE 2 -8.346 -0.775 -0.373 8 HD1 PHE 2 HD1 PHE 2 -7.576 2.564 -1.429 9 HD2 PHE 2 HD2 PHE 2 -5.887 -0.962 0.253 10 HE1 PHE 2 HE1 PHE 2 -5.674 3.870 -0.604 11 HE2 PHE 2 HE2 PHE 2 -3.979 0.343 1.079 12 HZ PHE 2 HZ PHE 2 -3.870 2.766 0.652 13 H CYS 3 HN CYS 3 -9.413 0.426 -3.810 14 HA CYS 3 HA CYS 3 -7.393 1.889 -5.315 15 HB2 CYS 3 HB2 CYS 3 -9.769 0.399 -6.432 16 HB3 CYS 3 HB1 CYS 3 -8.990 1.704 -7.304 17 H TRP 4 HN TRP 4 -7.724 3.920 -4.715 18 HA TRP 4 HA TRP 4 -10.304 5.070 -5.161 19 HB2 TRP 4 HB2 TRP 4 -10.732 5.900 -2.988 20 HB3 TRP 4 HB1 TRP 4 -10.220 4.242 -2.703 21 HD1 TRP 4 HD1 TRP 4 -7.019 4.778 -2.647 22 HE1 TRP 4 HE1 TRP 4 -5.997 6.090 -0.683 23 HE3 TRP 4 3HE TRP 4 -11.241 7.082 -0.944 24 HZ2 TRP 4 HZ2 TRP 4 -6.883 7.876 1.323 25 HZ3 TRP 4 HZ3 TRP 4 -11.078 8.560 1.009 26 HH2 TRP 4 2HH TRP 4 -8.939 8.941 2.124 27 H HIS 5 HN HIS 5 -10.072 7.341 -5.545 28 HA HIS 5 HA HIS 5 -8.975 9.252 -6.214 29 HB2 HIS 5 HB2 HIS 5 -7.016 8.270 -4.124 30 HB3 HIS 5 HB1 HIS 5 -6.763 9.779 -4.973 31 HD1 HIS 5 HD1 HIS 5 -7.251 11.547 -3.212 32 HD2 HIS 5 HD2 HIS 5 -10.045 8.477 -3.183 33 HE1 HIS 5 HE1 HIS 5 -8.959 12.170 -1.481 34 H HIS 6 HN HIS 6 -8.533 6.650 -7.522 35 HA HIS 6 HA HIS 6 -7.386 5.645 -9.140 36 HB2 HIS 6 HB2 HIS 6 -6.222 8.408 -9.523 37 HB3 HIS 6 HB1 HIS 6 -5.838 7.061 -10.593 38 HD1 HIS 6 HD1 HIS 6 -7.933 9.890 -10.532 39 HD2 HIS 6 HD2 HIS 6 -8.516 5.902 -11.535 40 HE1 HIS 6 HE1 HIS 6 -9.955 9.849 -12.010 41 H SER 7 HN SER 7 -6.384 5.751 -6.392 42 HA SER 7 HA SER 7 -3.584 5.061 -6.878 43 HB2 SER 7 HB2 SER 7 -5.023 5.642 -4.270 44 HB3 SER 7 HB1 SER 7 -3.284 5.430 -4.488 45 HG SER 7 HG SER 7 -4.228 7.285 -6.163 46 H CYS 8 HN CYS 8 -3.538 2.899 -7.324 47 HA CYS 8 HA CYS 8 -5.300 1.180 -5.766 48 HB2 CYS 8 HB2 CYS 8 -4.053 0.767 -8.464 49 HB3 CYS 8 HB1 CYS 8 -4.752 -0.540 -7.520 50 H VAL 9 HN VAL 9 -4.484 0.145 -4.228 51 HA VAL 9 HA VAL 9 -1.675 -0.684 -4.306 52 HB VAL 9 HB VAL 9 -3.633 -0.584 -1.963 53 HG11 VAL 9 HG11 VAL 9 -0.675 -1.169 -1.977 54 HG12 VAL 9 HG12 VAL 9 -1.959 -2.339 -1.686 55 HG13 VAL 9 3HG1 VAL 9 -1.690 -1.024 -0.543 56 HG21 VAL 9 HG21 VAL 9 -2.277 1.287 -1.139 57 HG22 VAL 9 HG22 VAL 9 -3.004 1.652 -2.703 58 HG23 VAL 9 HG23 VAL 9 -1.298 1.219 -2.603 59 HA PRO 10 HA PRO 10 -3.494 -4.566 -5.529 60 HB2 PRO 10 HB2 PRO 10 -1.285 -6.145 -5.281 61 HB3 PRO 10 HB1 PRO 10 -1.559 -5.053 -6.640 62 HG2 PRO 10 HG2 PRO 10 0.125 -4.658 -4.203 63 HG3 PRO 10 HG1 PRO 10 0.476 -4.228 -5.885 64 HD2 PRO 10 HD2 PRO 10 -0.346 -2.414 -4.059 65 HD3 PRO 10 HD1 PRO 10 -0.770 -2.292 -5.778 66 H SER 11 HN SER 11 -4.074 -6.641 -4.719 67 HA SER 11 HA SER 11 -4.211 -6.757 -1.842 68 HB2 SER 11 HB2 SER 11 -5.392 -8.526 -3.987 69 HB3 SER 11 HB1 SER 11 -5.752 -8.639 -2.263 70 HG SER 11 HG SER 11 -7.098 -7.294 -3.879 71 H GLY 12 HN GLY 12 -2.532 -7.626 -0.808 72 HA2 GLY 12 HA2 GLY 12 -1.534 -9.759 -0.226 73 HA3 GLY 12 HA1 GLY 12 -1.343 -10.058 -1.952 74 H THR 13 HN THR 13 -0.793 -6.874 -0.741 75 HA THR 13 HA THR 13 2.002 -7.359 -1.252 76 HB THR 13 HB THR 13 1.109 -5.619 -2.684 77 HG1 THR 13 HG1 THR 13 3.048 -4.956 -2.395 78 HG21 THR 13 HG21 THR 13 0.293 -3.468 -1.790 79 HG22 THR 13 HG22 THR 13 0.389 -4.124 -0.155 80 HG23 THR 13 HG23 THR 13 -0.749 -4.808 -1.314 81 H CYS 14 HN CYS 14 2.847 -8.058 0.453 82 HA CYS 14 HA CYS 14 2.926 -6.238 2.721 83 HB2 CYS 14 HB2 CYS 14 3.039 -9.267 2.862 84 HB3 CYS 14 HB1 CYS 14 3.251 -8.170 4.223 85 H ALA 15 HN ALA 15 4.667 -5.205 2.240 86 HA ALA 15 HA ALA 15 7.211 -6.530 2.250 87 HB1 ALA 15 HB1 ALA 15 7.900 -5.617 0.069 88 HB2 ALA 15 HB2 ALA 15 6.255 -5.046 -0.202 89 HB3 ALA 15 HB3 ALA 15 6.581 -6.776 -0.106 90 H ASP 16 HN ASP 16 8.947 -4.765 2.090 91 HA ASP 16 HA ASP 16 7.873 -2.463 3.468 92 HB2 ASP 16 HB2 ASP 16 10.094 -2.030 4.271 93 HB3 ASP 16 HB1 ASP 16 9.713 -3.719 4.573 94 H PHE 17 HN PHE 17 7.737 -0.615 2.640 95 HA PHE 17 HA PHE 17 8.967 -0.144 0.042 96 HB2 PHE 17 HB2 PHE 17 6.375 0.871 1.240 97 HB3 PHE 17 HB1 PHE 17 7.065 1.497 -0.249 98 HD1 PHE 17 HD1 PHE 17 5.557 -1.478 1.338 99 HD2 PHE 17 HD2 PHE 17 6.796 0.337 -2.300 100 HE1 PHE 17 HE1 PHE 17 4.356 -3.212 0.063 101 HE2 PHE 17 HE2 PHE 17 5.606 -1.394 -3.573 102 HZ PHE 17 HZ PHE 17 4.378 -3.174 -2.375 103 HA PRO 18 HA PRO 18 11.438 3.190 1.552 104 HB2 PRO 18 HB2 PRO 18 9.917 4.891 -0.372 105 HB3 PRO 18 HB1 PRO 18 11.664 4.780 -0.111 106 HG2 PRO 18 HG2 PRO 18 10.572 3.571 -2.190 107 HG3 PRO 18 HG1 PRO 18 11.837 2.761 -1.247 108 HD2 PRO 18 HD2 PRO 18 8.899 2.275 -1.278 109 HD3 PRO 18 HD1 PRO 18 10.240 1.127 -1.069 110 H TRP 19 HN TRP 19 11.130 4.194 3.397 111 HA TRP 19 HA TRP 19 8.682 5.016 4.553 112 HB2 TRP 19 HB2 TRP 19 10.989 4.591 5.656 113 HB3 TRP 19 HB1 TRP 19 11.376 6.239 5.183 114 HD1 TRP 19 HD1 TRP 19 10.007 8.148 6.344 115 HE1 TRP 19 HE1 TRP 19 8.738 8.255 8.631 116 HE3 TRP 19 3HE TRP 19 9.655 3.204 7.229 117 HZ2 TRP 19 HZ2 TRP 19 7.733 6.418 10.517 118 HZ3 TRP 19 HZ3 TRP 19 8.528 2.414 9.283 119 HH2 TRP 19 2HH TRP 19 7.590 4.002 10.888 120 HA PRO 20 HA PRO 20 7.728 6.688 5.854 121 HB2 PRO 20 HB2 PRO 20 5.455 8.288 5.172 122 HB3 PRO 20 HB1 PRO 20 6.683 8.582 6.404 123 HG2 PRO 20 HG2 PRO 20 6.384 10.119 4.152 124 HG3 PRO 20 HG1 PRO 20 7.904 9.939 5.043 125 HD2 PRO 20 HD2 PRO 20 7.009 8.527 2.550 126 HD3 PRO 20 HD1 PRO 20 8.584 9.246 2.930 127 H LEU 21 HN LEU 21 7.201 5.306 3.021 128 HA LEU 21 HA LEU 21 4.467 4.544 3.370 129 HB2 LEU 21 HB2 LEU 21 6.670 3.239 1.762 130 HB3 LEU 21 HB1 LEU 21 4.997 2.725 1.733 131 HG LEU 21 HG LEU 21 5.992 5.432 0.824 132 HD11 LEU 21 HD11 LEU 21 6.742 3.671 -0.670 133 HD12 LEU 21 HD12 LEU 21 5.464 4.622 -1.427 134 HD13 LEU 21 HD13 LEU 21 5.100 3.030 -0.764 135 HD21 LEU 21 HD21 LEU 21 3.734 5.673 -0.100 136 HD22 LEU 21 HD22 LEU 21 3.708 5.525 1.655 137 HD23 LEU 21 HD23 LEU 21 3.267 4.145 0.648 138 H GLY 22 HN GLY 22 7.541 2.808 3.890 139 HA2 GLY 22 HA2 GLY 22 8.125 1.577 5.765 140 HA3 GLY 22 HA1 GLY 22 6.504 1.817 6.395 141 H HIS 23 HN HIS 23 6.619 -0.465 6.944 142 HA HIS 23 HA HIS 23 6.540 -2.338 4.765 143 HB2 HIS 23 HB2 HIS 23 7.486 -2.991 6.987 144 HB3 HIS 23 HB1 HIS 23 5.893 -2.768 7.700 145 HD1 HIS 23 HD1 HIS 23 4.339 -4.794 7.638 146 HD2 HIS 23 HD2 HIS 23 7.621 -5.182 5.118 147 HE1 HIS 23 HE1 HIS 23 4.256 -7.153 6.755 148 H GLN 24 HN GLN 24 4.890 -2.199 3.497 149 HA GLN 24 HA GLN 24 2.239 -1.586 4.542 150 HB2 GLN 24 HB2 GLN 24 3.224 -2.093 1.724 151 HB3 GLN 24 HB1 GLN 24 1.571 -1.697 2.130 152 HG2 GLN 24 HG2 GLN 24 3.955 0.099 2.575 153 HG3 GLN 24 HG1 GLN 24 2.855 0.199 1.209 154 HE21 GLN 24 1HE2 GLN 24 2.136 2.220 1.611 155 HE22 GLN 24 2HE2 GLN 24 1.196 2.669 2.984 156 H CYS 25 HN CYS 25 0.727 -3.185 4.835 157 HA CYS 25 HA CYS 25 1.182 -5.682 3.472 158 HB2 CYS 25 HB2 CYS 25 2.262 -5.964 5.697 159 HB3 CYS 25 HB1 CYS 25 0.723 -5.584 6.460 160 H PHE 26 HN PHE 26 -0.440 -5.333 2.229 161 HA PHE 26 HA PHE 26 -3.114 -5.127 3.444 162 HB2 PHE 26 HB2 PHE 26 -2.189 -4.190 0.712 163 HB3 PHE 26 HB1 PHE 26 -3.846 -4.137 1.289 164 HD1 PHE 26 HD1 PHE 26 -0.536 -2.603 1.476 165 HD2 PHE 26 HD2 PHE 26 -4.519 -2.514 2.936 166 HE1 PHE 26 HE1 PHE 26 -0.147 -0.351 2.390 167 HE2 PHE 26 HE2 PHE 26 -4.139 -0.266 3.861 168 HZ PHE 26 HZ PHE 26 -1.948 0.818 3.582 169 HA PRO 27 HA PRO 27 -3.150 -9.315 1.526 170 HB2 PRO 27 HB2 PRO 27 -5.587 -9.438 3.229 171 HB3 PRO 27 HB1 PRO 27 -4.264 -10.597 3.094 172 HG2 PRO 27 HG2 PRO 27 -4.467 -9.080 5.262 173 HG3 PRO 27 HG1 PRO 27 -2.882 -9.404 4.537 174 HD2 PRO 27 HD2 PRO 27 -4.588 -6.948 4.317 175 HD3 PRO 27 HD1 PRO 27 -2.835 -7.079 4.573 176 H ASP 28 HN ASP 28 -5.657 -6.954 2.105 177 HA ASP 28 HA ASP 28 -6.757 -7.488 -0.549 178 HB2 ASP 28 HB2 ASP 28 -8.234 -6.437 1.898 179 HB3 ASP 28 HB1 ASP 28 -8.893 -6.463 0.272 Start of MODEL 4 1 H1 GLY 1 HN GLY 1 -5.185 -6.020 0.372 2 HA2 GLY 1 HA2 GLY 1 -4.805 -4.584 -1.415 3 HA3 GLY 1 HA1 GLY 1 -5.658 -5.703 -2.470 4 H PHE 2 HN PHE 2 -6.431 -3.390 -3.049 5 HA PHE 2 HA PHE 2 -9.119 -3.200 -2.170 6 HB2 PHE 2 HB2 PHE 2 -9.031 -0.860 -1.332 7 HB3 PHE 2 HB1 PHE 2 -8.099 -1.932 -0.305 8 HD1 PHE 2 HD1 PHE 2 -7.983 0.894 -2.615 9 HD2 PHE 2 HD2 PHE 2 -5.654 -1.775 -0.250 10 HE1 PHE 2 HE1 PHE 2 -6.046 2.390 -2.831 11 HE2 PHE 2 HE2 PHE 2 -3.722 -0.280 -0.466 12 HZ PHE 2 HZ PHE 2 -3.913 1.798 -1.754 13 H CYS 3 HN CYS 3 -10.230 -1.519 -3.487 14 HA CYS 3 HA CYS 3 -8.623 -0.799 -5.817 15 HB2 CYS 3 HB2 CYS 3 -9.941 -2.885 -6.277 16 HB3 CYS 3 HB1 CYS 3 -11.412 -1.975 -5.966 17 H TRP 4 HN TRP 4 -8.844 1.245 -6.412 18 HA TRP 4 HA TRP 4 -11.250 2.717 -5.882 19 HB2 TRP 4 HB2 TRP 4 -10.327 4.319 -4.382 20 HB3 TRP 4 HB1 TRP 4 -9.812 2.747 -3.775 21 HD1 TRP 4 HD1 TRP 4 -7.156 2.390 -5.589 22 HE1 TRP 4 HE1 TRP 4 -5.122 3.876 -5.158 23 HE3 TRP 4 3HE TRP 4 -9.464 6.169 -3.046 24 HZ2 TRP 4 HZ2 TRP 4 -4.564 6.353 -3.888 25 HZ3 TRP 4 HZ3 TRP 4 -8.100 8.049 -2.241 26 HH2 TRP 4 2HH TRP 4 -5.694 8.119 -2.656 27 H HIS 5 HN HIS 5 -11.146 4.773 -7.060 28 HA HIS 5 HA HIS 5 -10.633 6.061 -8.908 29 HB2 HIS 5 HB2 HIS 5 -7.875 5.177 -8.082 30 HB3 HIS 5 HB1 HIS 5 -8.103 6.169 -9.503 31 HD1 HIS 5 HD1 HIS 5 -7.182 8.361 -8.791 32 HD2 HIS 5 HD2 HIS 5 -9.678 6.711 -5.917 33 HE1 HIS 5 HE1 HIS 5 -7.317 10.056 -6.940 34 H HIS 6 HN HIS 6 -11.186 3.128 -9.163 35 HA HIS 6 HA HIS 6 -11.417 1.558 -10.736 36 HB2 HIS 6 HB2 HIS 6 -11.923 3.452 -12.285 37 HB3 HIS 6 HB1 HIS 6 -10.212 3.615 -12.632 38 HD1 HIS 6 HD1 HIS 6 -9.319 2.235 -14.545 39 HD2 HIS 6 HD2 HIS 6 -13.097 1.037 -13.310 40 HE1 HIS 6 HE1 HIS 6 -10.134 0.606 -16.295 41 H SER 7 HN SER 7 -8.783 2.155 -9.216 42 HA SER 7 HA SER 7 -7.131 0.366 -10.820 43 HB2 SER 7 HB2 SER 7 -6.167 2.651 -10.543 44 HB3 SER 7 HB1 SER 7 -6.208 2.425 -8.796 45 HG SER 7 HG SER 7 -4.387 1.624 -10.580 46 H CYS 8 HN CYS 8 -7.130 -1.549 -9.987 47 HA CYS 8 HA CYS 8 -7.839 -1.887 -7.205 48 HB2 CYS 8 HB2 CYS 8 -7.650 -3.923 -9.428 49 HB3 CYS 8 HB1 CYS 8 -8.237 -4.225 -7.799 50 H VAL 9 HN VAL 9 -6.223 -1.891 -5.857 51 HA VAL 9 HA VAL 9 -3.550 -2.629 -6.536 52 HB VAL 9 HB VAL 9 -4.861 -2.062 -3.847 53 HG11 VAL 9 HG11 VAL 9 -2.844 -3.390 -3.542 54 HG12 VAL 9 HG12 VAL 9 -2.579 -1.737 -2.983 55 HG13 VAL 9 3HG1 VAL 9 -1.928 -2.261 -4.537 56 HG21 VAL 9 HG21 VAL 9 -3.780 0.136 -4.017 57 HG22 VAL 9 HG22 VAL 9 -4.919 -0.139 -5.336 58 HG23 VAL 9 HG23 VAL 9 -3.186 -0.288 -5.622 59 HA PRO 10 HA PRO 10 -4.584 -6.914 -6.088 60 HB2 PRO 10 HB2 PRO 10 -2.086 -7.923 -6.455 61 HB3 PRO 10 HB1 PRO 10 -3.110 -7.350 -7.774 62 HG2 PRO 10 HG2 PRO 10 -0.838 -5.997 -6.407 63 HG3 PRO 10 HG1 PRO 10 -1.289 -5.983 -8.122 64 HD2 PRO 10 HD2 PRO 10 -1.812 -3.943 -6.390 65 HD3 PRO 10 HD1 PRO 10 -2.796 -4.283 -7.825 66 H SER 11 HN SER 11 -4.196 -8.691 -4.790 67 HA SER 11 HA SER 11 -3.705 -8.095 -2.103 68 HB2 SER 11 HB2 SER 11 -4.043 -10.669 -2.033 69 HB3 SER 11 HB1 SER 11 -5.393 -9.624 -2.488 70 HG SER 11 HG SER 11 -5.405 -10.476 -4.351 71 H GLY 12 HN GLY 12 -1.739 -7.914 -1.218 72 HA2 GLY 12 HA2 GLY 12 0.161 -9.152 -0.410 73 HA3 GLY 12 HA1 GLY 12 0.317 -9.857 -2.015 74 H THR 13 HN THR 13 -0.513 -6.544 -1.866 75 HA THR 13 HA THR 13 2.012 -5.883 -3.054 76 HB THR 13 HB THR 13 -0.368 -4.108 -2.428 77 HG1 THR 13 HG1 THR 13 -1.129 -5.382 -3.979 78 HG21 THR 13 HG21 THR 13 1.753 -2.858 -2.758 79 HG22 THR 13 HG22 THR 13 0.616 -2.582 -4.076 80 HG23 THR 13 HG23 THR 13 1.977 -3.678 -4.305 81 H CYS 14 HN CYS 14 3.483 -6.090 -1.488 82 HA CYS 14 HA CYS 14 3.236 -4.523 0.955 83 HB2 CYS 14 HB2 CYS 14 5.391 -6.462 0.118 84 HB3 CYS 14 HB1 CYS 14 5.202 -5.741 1.705 85 H ALA 15 HN ALA 15 4.375 -2.669 1.300 86 HA ALA 15 HA ALA 15 6.586 -2.071 -0.485 87 HB1 ALA 15 HB1 ALA 15 5.744 0.210 -0.815 88 HB2 ALA 15 HB2 ALA 15 4.288 -0.198 0.091 89 HB3 ALA 15 HB3 ALA 15 4.614 -0.986 -1.452 90 H ASP 16 HN ASP 16 8.248 -1.023 0.568 91 HA ASP 16 HA ASP 16 7.754 -0.387 3.373 92 HB2 ASP 16 HB2 ASP 16 10.151 -0.627 3.728 93 HB3 ASP 16 HB1 ASP 16 9.546 -2.074 2.932 94 H PHE 17 HN PHE 17 8.167 1.616 4.116 95 HA PHE 17 HA PHE 17 9.110 3.587 2.178 96 HB2 PHE 17 HB2 PHE 17 7.007 3.962 4.323 97 HB3 PHE 17 HB1 PHE 17 7.537 5.175 3.163 98 HD1 PHE 17 HD1 PHE 17 6.945 4.854 0.743 99 HD2 PHE 17 HD2 PHE 17 5.331 2.426 3.836 100 HE1 PHE 17 HE1 PHE 17 5.125 4.158 -0.755 101 HE2 PHE 17 HE2 PHE 17 3.510 1.725 2.340 102 HZ PHE 17 HZ PHE 17 3.398 2.581 0.058 103 HA PRO 18 HA PRO 18 12.050 4.416 5.427 104 HB2 PRO 18 HB2 PRO 18 12.005 7.266 4.670 105 HB3 PRO 18 HB1 PRO 18 13.340 6.112 4.599 106 HG2 PRO 18 HG2 PRO 18 12.158 6.971 2.365 107 HG3 PRO 18 HG1 PRO 18 12.700 5.293 2.535 108 HD2 PRO 18 HD2 PRO 18 9.938 6.417 2.829 109 HD3 PRO 18 HD1 PRO 18 10.484 4.964 1.959 110 H TRP 19 HN TRP 19 12.509 6.195 7.159 111 HA TRP 19 HA TRP 19 10.477 6.147 9.025 112 HB2 TRP 19 HB2 TRP 19 12.773 6.348 9.718 113 HB3 TRP 19 HB1 TRP 19 12.962 7.860 8.848 114 HD1 TRP 19 HD1 TRP 19 11.050 6.497 11.950 115 HE1 TRP 19 HE1 TRP 19 10.834 8.417 13.651 116 HE3 TRP 19 3HE TRP 19 13.091 10.274 9.177 117 HZ2 TRP 19 HZ2 TRP 19 11.437 11.174 13.792 118 HZ3 TRP 19 HZ3 TRP 19 13.227 12.520 10.165 119 HH2 TRP 19 2HH TRP 19 12.416 12.955 12.426 120 HA PRO 20 HA PRO 20 9.366 6.765 10.447 121 HB2 PRO 20 HB2 PRO 20 7.079 8.012 11.424 122 HB3 PRO 20 HB1 PRO 20 8.734 8.348 11.936 123 HG2 PRO 20 HG2 PRO 20 7.019 10.118 10.628 124 HG3 PRO 20 HG1 PRO 20 8.762 10.332 10.828 125 HD2 PRO 20 HD2 PRO 20 7.252 9.234 8.469 126 HD3 PRO 20 HD1 PRO 20 8.679 10.300 8.491 127 H LEU 21 HN LEU 21 8.038 6.643 7.650 128 HA LEU 21 HA LEU 21 5.350 5.832 8.138 129 HB2 LEU 21 HB2 LEU 21 7.104 5.462 5.717 130 HB3 LEU 21 HB1 LEU 21 5.386 5.107 5.758 131 HG LEU 21 HG LEU 21 6.656 7.837 6.069 132 HD11 LEU 21 HD11 LEU 21 6.786 7.044 3.795 133 HD12 LEU 21 HD12 LEU 21 5.568 8.315 3.920 134 HD13 LEU 21 HD13 LEU 21 5.073 6.626 3.814 135 HD21 LEU 21 HD21 LEU 21 3.751 7.032 5.998 136 HD22 LEU 21 HD22 LEU 21 4.355 8.686 5.958 137 HD23 LEU 21 HD23 LEU 21 4.624 7.688 7.385 138 H GLY 22 HN GLY 22 8.116 3.903 6.894 139 HA2 GLY 22 HA2 GLY 22 8.801 1.860 7.852 140 HA3 GLY 22 HA1 GLY 22 7.255 1.759 8.687 141 H HIS 23 HN HIS 23 7.107 -0.395 7.906 142 HA HIS 23 HA HIS 23 6.771 -0.708 5.038 143 HB2 HIS 23 HB2 HIS 23 8.136 -2.382 6.210 144 HB3 HIS 23 HB1 HIS 23 6.788 -2.758 7.271 145 HD1 HIS 23 HD1 HIS 23 5.176 -4.557 6.459 146 HD2 HIS 23 HD2 HIS 23 7.730 -3.177 3.488 147 HE1 HIS 23 HE1 HIS 23 4.845 -6.094 4.488 148 H GLN 24 HN GLN 24 4.873 -1.113 4.069 149 HA GLN 24 HA GLN 24 2.538 -1.689 5.698 150 HB2 GLN 24 HB2 GLN 24 2.520 0.778 5.207 151 HB3 GLN 24 HB1 GLN 24 2.628 0.384 3.505 152 HG2 GLN 24 HG2 GLN 24 0.337 0.940 4.158 153 HG3 GLN 24 HG1 GLN 24 0.485 -0.700 3.536 154 HE21 GLN 24 1HE2 GLN 24 -1.348 -1.438 4.568 155 HE22 GLN 24 2HE2 GLN 24 -1.431 -1.656 6.274 156 H CYS 25 HN CYS 25 1.431 -3.321 4.798 157 HA CYS 25 HA CYS 25 1.813 -3.801 1.955 158 HB2 CYS 25 HB2 CYS 25 3.241 -5.391 3.198 159 HB3 CYS 25 HB1 CYS 25 1.830 -5.927 4.107 160 H PHE 26 HN PHE 26 0.079 -4.550 0.908 161 HA PHE 26 HA PHE 26 -2.409 -4.653 2.457 162 HB2 PHE 26 HB2 PHE 26 -2.067 -4.028 -0.495 163 HB3 PHE 26 HB1 PHE 26 -3.564 -3.946 0.424 164 HD1 PHE 26 HD1 PHE 26 -0.727 -2.138 -0.728 165 HD2 PHE 26 HD2 PHE 26 -3.641 -2.261 2.377 166 HE1 PHE 26 HE1 PHE 26 -0.262 0.217 -0.202 167 HE2 PHE 26 HE2 PHE 26 -3.184 0.094 2.902 168 HZ PHE 26 HZ PHE 26 -1.491 1.338 1.614 169 HA PRO 27 HA PRO 27 -1.571 -8.953 1.077 170 HB2 PRO 27 HB2 PRO 27 -3.338 -9.643 3.311 171 HB3 PRO 27 HB1 PRO 27 -1.664 -10.124 3.016 172 HG2 PRO 27 HG2 PRO 27 -2.302 -8.405 4.978 173 HG3 PRO 27 HG1 PRO 27 -0.803 -8.246 4.045 174 HD2 PRO 27 HD2 PRO 27 -3.379 -6.760 3.749 175 HD3 PRO 27 HD1 PRO 27 -1.711 -6.141 3.737 176 H ASP 28 HN ASP 28 -4.576 -7.359 1.726 177 HA ASP 28 HA ASP 28 -6.006 -9.377 0.128 178 HB2 ASP 28 HB2 ASP 28 -6.964 -8.904 2.360 179 HB3 ASP 28 HB1 ASP 28 -7.150 -7.213 1.910 Start of MODEL 5 1 H1 GLY 1 HN GLY 1 -7.193 -5.935 0.105 2 HA2 GLY 1 HA2 GLY 1 -5.923 -3.331 -0.071 3 HA3 GLY 1 HA1 GLY 1 -6.030 -4.537 -1.348 4 H PHE 2 HN PHE 2 -6.563 -2.457 -2.520 5 HA PHE 2 HA PHE 2 -9.336 -2.243 -2.991 6 HB2 PHE 2 HB2 PHE 2 -9.635 0.134 -2.271 7 HB3 PHE 2 HB1 PHE 2 -9.400 -0.955 -0.912 8 HD1 PHE 2 HD1 PHE 2 -7.991 1.833 -2.827 9 HD2 PHE 2 HD2 PHE 2 -7.345 -0.849 0.421 10 HE1 PHE 2 HE1 PHE 2 -6.169 3.264 -2.000 11 HE2 PHE 2 HE2 PHE 2 -5.525 0.579 1.240 12 HZ PHE 2 HZ PHE 2 -4.936 2.639 0.027 13 H CYS 3 HN CYS 3 -9.736 -0.492 -4.618 14 HA CYS 3 HA CYS 3 -7.271 0.162 -6.036 15 HB2 CYS 3 HB2 CYS 3 -9.989 -0.515 -7.186 16 HB3 CYS 3 HB1 CYS 3 -8.657 0.125 -8.131 17 H TRP 4 HN TRP 4 -6.862 2.209 -6.027 18 HA TRP 4 HA TRP 4 -9.032 4.138 -6.143 19 HB2 TRP 4 HB2 TRP 4 -8.607 4.006 -3.810 20 HB3 TRP 4 HB1 TRP 4 -6.871 4.038 -4.043 21 HD1 TRP 4 HD1 TRP 4 -9.727 6.528 -5.047 22 HE1 TRP 4 HE1 TRP 4 -8.900 8.908 -4.461 23 HE3 TRP 4 3HE TRP 4 -5.200 5.352 -3.042 24 HZ2 TRP 4 HZ2 TRP 4 -6.657 10.097 -3.316 25 HZ3 TRP 4 HZ3 TRP 4 -3.773 7.174 -2.199 26 HH2 TRP 4 2HH TRP 4 -4.492 9.497 -2.331 27 H HIS 5 HN HIS 5 -8.597 5.794 -7.368 28 HA HIS 5 HA HIS 5 -7.811 6.631 -9.238 29 HB2 HIS 5 HB2 HIS 5 -6.268 8.474 -8.891 30 HB3 HIS 5 HB1 HIS 5 -7.289 8.298 -7.498 31 HD1 HIS 5 HD1 HIS 5 -4.815 9.969 -7.145 32 HD2 HIS 5 HD2 HIS 5 -4.861 5.885 -6.461 33 HE1 HIS 5 HE1 HIS 5 -2.825 9.503 -5.708 34 H HIS 6 HN HIS 6 -7.394 4.294 -9.710 35 HA HIS 6 HA HIS 6 -6.521 2.924 -11.204 36 HB2 HIS 6 HB2 HIS 6 -4.491 5.099 -11.786 37 HB3 HIS 6 HB1 HIS 6 -4.616 3.599 -12.697 38 HD1 HIS 6 HD1 HIS 6 -5.398 6.908 -13.289 39 HD2 HIS 6 HD2 HIS 6 -7.703 3.445 -13.407 40 HE1 HIS 6 HE1 HIS 6 -7.377 7.438 -14.740 41 H SER 7 HN SER 7 -5.406 3.312 -8.331 42 HA SER 7 HA SER 7 -3.085 1.583 -8.740 43 HB2 SER 7 HB2 SER 7 -2.564 3.774 -7.687 44 HB3 SER 7 HB1 SER 7 -3.711 3.413 -6.402 45 HG SER 7 HG SER 7 -1.153 2.499 -6.826 46 H CYS 8 HN CYS 8 -3.470 -0.456 -8.207 47 HA CYS 8 HA CYS 8 -5.632 -1.024 -6.338 48 HB2 CYS 8 HB2 CYS 8 -4.510 -2.668 -8.592 49 HB3 CYS 8 HB1 CYS 8 -5.570 -3.349 -7.362 50 H VAL 9 HN VAL 9 -5.084 -1.485 -4.463 51 HA VAL 9 HA VAL 9 -2.456 -2.464 -3.748 52 HB VAL 9 HB VAL 9 -4.865 -1.766 -2.036 53 HG11 VAL 9 HG11 VAL 9 -3.279 -1.645 -0.174 54 HG12 VAL 9 HG12 VAL 9 -1.995 -2.210 -1.245 55 HG13 VAL 9 3HG1 VAL 9 -3.359 -3.262 -0.873 56 HG21 VAL 9 HG21 VAL 9 -3.685 0.329 -1.547 57 HG22 VAL 9 HG22 VAL 9 -4.075 0.172 -3.260 58 HG23 VAL 9 HG23 VAL 9 -2.429 -0.123 -2.700 59 HA PRO 10 HA PRO 10 -4.191 -6.667 -3.667 60 HB2 PRO 10 HB2 PRO 10 -1.653 -7.450 -2.445 61 HB3 PRO 10 HB1 PRO 10 -2.323 -7.920 -4.006 62 HG2 PRO 10 HG2 PRO 10 -0.177 -6.293 -3.766 63 HG3 PRO 10 HG1 PRO 10 -1.330 -6.178 -5.105 64 HD2 PRO 10 HD2 PRO 10 -1.088 -4.481 -2.659 65 HD3 PRO 10 HD1 PRO 10 -1.457 -4.027 -4.340 66 H SER 11 HN SER 11 -5.015 -8.019 -2.071 67 HA SER 11 HA SER 11 -5.047 -6.983 0.613 68 HB2 SER 11 HB2 SER 11 -6.393 -9.404 -0.597 69 HB3 SER 11 HB1 SER 11 -6.732 -8.720 0.995 70 HG SER 11 HG SER 11 -7.978 -8.116 -1.090 71 H GLY 12 HN GLY 12 -3.225 -7.405 1.758 72 HA2 GLY 12 HA2 GLY 12 -2.384 -9.243 3.163 73 HA3 GLY 12 HA1 GLY 12 -2.186 -10.142 1.661 74 H THR 13 HN THR 13 -1.566 -6.974 0.975 75 HA THR 13 HA THR 13 1.209 -7.576 0.823 76 HB THR 13 HB THR 13 0.125 -6.383 -1.069 77 HG1 THR 13 HG1 THR 13 2.424 -6.084 -0.534 78 HG21 THR 13 HG21 THR 13 -1.451 -4.948 0.102 79 HG22 THR 13 HG22 THR 13 -0.354 -3.932 -0.849 80 HG23 THR 13 HG23 THR 13 -0.125 -4.098 0.886 81 H CYS 14 HN CYS 14 2.256 -7.574 2.571 82 HA CYS 14 HA CYS 14 2.344 -5.102 4.139 83 HB2 CYS 14 HB2 CYS 14 2.797 -7.902 5.211 84 HB3 CYS 14 HB1 CYS 14 2.737 -6.411 6.148 85 H ALA 15 HN ALA 15 4.060 -4.143 3.382 86 HA ALA 15 HA ALA 15 6.613 -5.476 3.449 87 HB1 ALA 15 HB1 ALA 15 5.782 -6.107 1.235 88 HB2 ALA 15 HB2 ALA 15 7.127 -4.972 1.095 89 HB3 ALA 15 HB3 ALA 15 5.473 -4.412 0.861 90 H ASP 16 HN ASP 16 8.285 -3.833 2.570 91 HA ASP 16 HA ASP 16 7.677 -1.263 3.772 92 HB2 ASP 16 HB2 ASP 16 10.147 -0.910 3.709 93 HB3 ASP 16 HB1 ASP 16 9.683 -2.322 4.646 94 H PHE 17 HN PHE 17 7.122 0.308 2.593 95 HA PHE 17 HA PHE 17 7.682 0.263 -0.264 96 HB2 PHE 17 HB2 PHE 17 5.715 1.893 1.384 97 HB3 PHE 17 HB1 PHE 17 5.866 1.972 -0.366 98 HD1 PHE 17 HD1 PHE 17 4.660 -0.010 2.474 99 HD2 PHE 17 HD2 PHE 17 4.980 0.192 -1.762 100 HE1 PHE 17 HE1 PHE 17 3.002 -1.827 2.260 101 HE2 PHE 17 HE2 PHE 17 3.330 -1.618 -1.978 102 HZ PHE 17 HZ PHE 17 2.341 -2.630 0.032 103 HA PRO 18 HA PRO 18 10.833 3.354 -0.060 104 HB2 PRO 18 HB2 PRO 18 9.700 5.227 -1.860 105 HB3 PRO 18 HB1 PRO 18 10.850 3.946 -2.252 106 HG2 PRO 18 HG2 PRO 18 7.884 3.972 -2.507 107 HG3 PRO 18 HG1 PRO 18 9.093 3.174 -3.529 108 HD2 PRO 18 HD2 PRO 18 7.598 1.781 -1.830 109 HD3 PRO 18 HD1 PRO 18 9.314 1.380 -2.058 110 H TRP 19 HN TRP 19 11.179 4.815 1.427 111 HA TRP 19 HA TRP 19 9.114 5.897 2.961 112 HB2 TRP 19 HB2 TRP 19 12.043 6.031 3.009 113 HB3 TRP 19 HB1 TRP 19 11.227 7.381 3.785 114 HD1 TRP 19 HD1 TRP 19 10.063 6.953 6.048 115 HE1 TRP 19 HE1 TRP 19 9.931 4.899 7.633 116 HE3 TRP 19 3HE TRP 19 11.922 3.449 2.927 117 HZ2 TRP 19 HZ2 TRP 19 10.534 2.143 7.528 118 HZ3 TRP 19 HZ3 TRP 19 12.115 1.095 3.707 119 HH2 TRP 19 2HH TRP 19 11.430 0.474 5.964 120 HA PRO 20 HA PRO 20 8.999 7.627 4.475 121 HB2 PRO 20 HB2 PRO 20 6.875 9.573 4.549 122 HB3 PRO 20 HB1 PRO 20 8.450 9.634 5.339 123 HG2 PRO 20 HG2 PRO 20 7.771 11.293 3.353 124 HG3 PRO 20 HG1 PRO 20 9.435 10.740 3.576 125 HD2 PRO 20 HD2 PRO 20 7.343 9.647 1.697 126 HD3 PRO 20 HD1 PRO 20 9.026 10.102 1.330 127 H LEU 21 HN LEU 21 7.427 6.343 2.103 128 HA LEU 21 HA LEU 21 4.821 6.013 3.181 129 HB2 LEU 21 HB2 LEU 21 6.410 4.433 1.163 130 HB3 LEU 21 HB1 LEU 21 4.853 3.875 1.727 131 HG LEU 21 HG LEU 21 3.752 5.821 0.744 132 HD11 LEU 21 HD11 LEU 21 5.523 7.487 1.024 133 HD12 LEU 21 HD12 LEU 21 4.948 7.422 -0.641 134 HD13 LEU 21 HD13 LEU 21 6.486 6.670 -0.206 135 HD21 LEU 21 HD21 LEU 21 4.104 3.842 -0.623 136 HD22 LEU 21 HD22 LEU 21 5.648 4.492 -1.172 137 HD23 LEU 21 HD23 LEU 21 4.145 5.314 -1.590 138 H GLY 22 HN GLY 22 7.673 3.864 3.161 139 HA2 GLY 22 HA2 GLY 22 8.561 2.729 4.934 140 HA3 GLY 22 HA1 GLY 22 7.255 3.329 5.940 141 H HIS 23 HN HIS 23 7.311 1.196 6.796 142 HA HIS 23 HA HIS 23 6.445 -1.032 5.172 143 HB2 HIS 23 HB2 HIS 23 8.008 -1.371 7.068 144 HB3 HIS 23 HB1 HIS 23 6.780 -0.768 8.170 145 HD1 HIS 23 HD1 HIS 23 5.110 -2.467 9.057 146 HD2 HIS 23 HD2 HIS 23 7.389 -3.900 5.893 147 HE1 HIS 23 HE1 HIS 23 4.596 -4.936 8.891 148 H GLN 24 HN GLN 24 4.460 -1.473 4.709 149 HA GLN 24 HA GLN 24 2.345 -0.561 6.493 150 HB2 GLN 24 HB2 GLN 24 2.372 -0.181 3.485 151 HB3 GLN 24 HB1 GLN 24 0.971 0.092 4.512 152 HG2 GLN 24 HG2 GLN 24 2.188 1.845 5.704 153 HG3 GLN 24 HG1 GLN 24 3.589 1.569 4.678 154 HE21 GLN 24 1HE2 GLN 24 3.532 3.665 4.002 155 HE22 GLN 24 2HE2 GLN 24 2.375 4.260 2.858 156 H CYS 25 HN CYS 25 0.496 -1.867 6.444 157 HA CYS 25 HA CYS 25 0.821 -4.432 5.080 158 HB2 CYS 25 HB2 CYS 25 1.771 -4.599 7.361 159 HB3 CYS 25 HB1 CYS 25 0.249 -4.036 8.025 160 H PHE 26 HN PHE 26 -0.885 -4.410 3.793 161 HA PHE 26 HA PHE 26 -3.464 -3.529 4.906 162 HB2 PHE 26 HB2 PHE 26 -2.660 -3.776 1.997 163 HB3 PHE 26 HB1 PHE 26 -4.219 -3.254 2.591 164 HD1 PHE 26 HD1 PHE 26 -0.901 -2.248 1.706 165 HD2 PHE 26 HD2 PHE 26 -4.351 -1.111 3.916 166 HE1 PHE 26 HE1 PHE 26 -0.142 0.082 1.688 167 HE2 PHE 26 HE2 PHE 26 -3.599 1.222 3.898 168 HZ PHE 26 HZ PHE 26 -1.485 1.821 2.774 169 HA PRO 27 HA PRO 27 -4.223 -8.039 4.620 170 HB2 PRO 27 HB2 PRO 27 -6.563 -7.279 6.255 171 HB3 PRO 27 HB1 PRO 27 -5.310 -8.474 6.599 172 HG2 PRO 27 HG2 PRO 27 -5.431 -6.165 7.950 173 HG3 PRO 27 HG1 PRO 27 -3.878 -6.905 7.520 174 HD2 PRO 27 HD2 PRO 27 -5.304 -4.614 6.218 175 HD3 PRO 27 HD1 PRO 27 -3.579 -4.807 6.591 176 H ASP 28 HN ASP 28 -6.171 -5.270 3.993 177 HA ASP 28 HA ASP 28 -7.671 -6.738 1.969 178 HB2 ASP 28 HB2 ASP 28 -9.254 -6.388 3.787 179 HB3 ASP 28 HB1 ASP 28 -8.788 -4.698 3.917 Start of MODEL 6 1 H1 GLY 1 HN GLY 1 -6.526 -5.161 1.790 2 HA2 GLY 1 HA2 GLY 1 -5.433 -2.437 1.824 3 HA3 GLY 1 HA1 GLY 1 -5.590 -3.452 0.394 4 H PHE 2 HN PHE 2 -6.722 -1.978 -0.756 5 HA PHE 2 HA PHE 2 -9.509 -1.929 -0.404 6 HB2 PHE 2 HB2 PHE 2 -9.683 0.602 -0.261 7 HB3 PHE 2 HB1 PHE 2 -9.177 -0.195 1.219 8 HD1 PHE 2 HD1 PHE 2 -7.951 1.813 -1.670 9 HD2 PHE 2 HD2 PHE 2 -7.120 0.336 2.246 10 HE1 PHE 2 HE1 PHE 2 -6.000 3.303 -1.514 11 HE2 PHE 2 HE2 PHE 2 -5.167 1.822 2.388 12 HZ PHE 2 HZ PHE 2 -4.609 3.301 0.507 13 H CYS 3 HN CYS 3 -10.499 -1.239 -2.284 14 HA CYS 3 HA CYS 3 -8.851 -0.077 -4.356 15 HB2 CYS 3 HB2 CYS 3 -10.602 -2.520 -4.754 16 HB3 CYS 3 HB1 CYS 3 -9.834 -1.611 -6.048 17 H TRP 4 HN TRP 4 -9.740 1.788 -4.158 18 HA TRP 4 HA TRP 4 -12.155 2.372 -5.401 19 HB2 TRP 4 HB2 TRP 4 -13.562 3.061 -3.548 20 HB3 TRP 4 HB1 TRP 4 -13.022 1.408 -3.294 21 HD1 TRP 4 HD1 TRP 4 -10.136 2.329 -1.924 22 HE1 TRP 4 HE1 TRP 4 -10.240 3.146 0.534 23 HE3 TRP 4 3HE TRP 4 -15.097 3.475 -1.647 24 HZ2 TRP 4 HZ2 TRP 4 -12.148 4.139 2.301 25 HZ3 TRP 4 HZ3 TRP 4 -15.980 4.342 0.470 26 HH2 TRP 4 2HH TRP 4 -14.536 4.662 2.397 27 H HIS 5 HN HIS 5 -12.582 4.789 -5.107 28 HA HIS 5 HA HIS 5 -11.809 6.927 -5.244 29 HB2 HIS 5 HB2 HIS 5 -9.968 5.924 -3.045 30 HB3 HIS 5 HB1 HIS 5 -9.950 7.592 -3.576 31 HD1 HIS 5 HD1 HIS 5 -10.749 8.530 -1.296 32 HD2 HIS 5 HD2 HIS 5 -13.327 5.681 -2.877 33 HE1 HIS 5 HE1 HIS 5 -12.834 8.640 0.094 34 H HIS 6 HN HIS 6 -10.797 4.821 -6.905 35 HA HIS 6 HA HIS 6 -9.333 4.327 -8.514 36 HB2 HIS 6 HB2 HIS 6 -8.453 7.195 -8.091 37 HB3 HIS 6 HB1 HIS 6 -7.801 6.171 -9.364 38 HD1 HIS 6 HD1 HIS 6 -10.571 8.466 -8.656 39 HD2 HIS 6 HD2 HIS 6 -9.835 5.302 -11.250 40 HE1 HIS 6 HE1 HIS 6 -12.279 8.663 -10.487 41 H SER 7 HN SER 7 -8.638 3.940 -5.629 42 HA SER 7 HA SER 7 -5.755 3.569 -6.009 43 HB2 SER 7 HB2 SER 7 -7.260 4.061 -3.432 44 HB3 SER 7 HB1 SER 7 -5.512 3.905 -3.608 45 HG SER 7 HG SER 7 -5.944 5.760 -5.221 46 H CYS 8 HN CYS 8 -5.532 1.389 -6.445 47 HA CYS 8 HA CYS 8 -7.092 -0.443 -4.783 48 HB2 CYS 8 HB2 CYS 8 -7.927 -0.518 -7.076 49 HB3 CYS 8 HB1 CYS 8 -6.307 -0.858 -7.671 50 H VAL 9 HN VAL 9 -5.815 -0.976 -3.294 51 HA VAL 9 HA VAL 9 -3.326 -2.245 -4.070 52 HB VAL 9 HB VAL 9 -2.558 -1.884 -1.688 53 HG11 VAL 9 HG11 VAL 9 -3.167 0.606 -3.274 54 HG12 VAL 9 HG12 VAL 9 -1.768 -0.448 -3.478 55 HG13 VAL 9 3HG1 VAL 9 -1.963 0.480 -1.991 56 HG21 VAL 9 HG21 VAL 9 -4.729 -1.494 -0.619 57 HG22 VAL 9 HG22 VAL 9 -4.929 -0.010 -1.549 58 HG23 VAL 9 HG23 VAL 9 -3.646 -0.128 -0.345 59 HA PRO 10 HA PRO 10 -5.783 -5.810 -2.944 60 HB2 PRO 10 HB2 PRO 10 -3.289 -7.225 -3.688 61 HB3 PRO 10 HB1 PRO 10 -4.926 -7.443 -4.314 62 HG2 PRO 10 HG2 PRO 10 -3.050 -6.262 -5.790 63 HG3 PRO 10 HG1 PRO 10 -4.728 -5.691 -5.814 64 HD2 PRO 10 HD2 PRO 10 -2.366 -4.546 -4.368 65 HD3 PRO 10 HD1 PRO 10 -3.660 -3.728 -5.282 66 H SER 11 HN SER 11 -5.908 -6.927 -1.056 67 HA SER 11 HA SER 11 -4.145 -6.468 1.087 68 HB2 SER 11 HB2 SER 11 -6.147 -8.709 0.723 69 HB3 SER 11 HB1 SER 11 -5.487 -8.138 2.257 70 HG SER 11 HG SER 11 -7.646 -7.325 1.243 71 H GLY 12 HN GLY 12 -2.182 -7.394 1.495 72 HA2 GLY 12 HA2 GLY 12 -0.975 -9.482 1.753 73 HA3 GLY 12 HA1 GLY 12 -1.612 -9.958 0.181 74 H THR 13 HN THR 13 -1.157 -6.852 -0.253 75 HA THR 13 HA THR 13 1.234 -7.212 -1.720 76 HB THR 13 HB THR 13 -0.304 -4.670 -1.137 77 HG1 THR 13 HG1 THR 13 -1.640 -5.873 -2.286 78 HG21 THR 13 HG21 THR 13 0.835 -3.787 -3.146 79 HG22 THR 13 HG22 THR 13 1.766 -5.281 -3.268 80 HG23 THR 13 HG23 THR 13 1.996 -4.211 -1.888 81 H CYS 14 HN CYS 14 2.972 -7.509 -0.591 82 HA CYS 14 HA CYS 14 3.837 -5.434 1.297 83 HB2 CYS 14 HB2 CYS 14 4.838 -8.245 0.838 84 HB3 CYS 14 HB1 CYS 14 5.675 -7.074 1.848 85 H ALA 15 HN ALA 15 5.121 -3.956 0.471 86 HA ALA 15 HA ALA 15 6.990 -4.712 -1.620 87 HB1 ALA 15 HB1 ALA 15 5.010 -2.450 -1.916 88 HB2 ALA 15 HB2 ALA 15 5.006 -3.954 -2.838 89 HB3 ALA 15 HB3 ALA 15 6.334 -2.806 -3.024 90 H ASP 16 HN ASP 16 8.672 -3.113 -1.871 91 HA ASP 16 HA ASP 16 8.965 -1.592 0.583 92 HB2 ASP 16 HB2 ASP 16 11.389 -1.652 0.195 93 HB3 ASP 16 HB1 ASP 16 10.714 -3.270 0.279 94 H PHE 17 HN PHE 17 9.058 0.428 0.610 95 HA PHE 17 HA PHE 17 9.004 1.903 -1.938 96 HB2 PHE 17 HB2 PHE 17 7.520 2.474 0.632 97 HB3 PHE 17 HB1 PHE 17 7.406 3.454 -0.814 98 HD1 PHE 17 HD1 PHE 17 6.307 0.471 0.915 99 HD2 PHE 17 HD2 PHE 17 6.183 2.524 -2.801 100 HE1 PHE 17 HE1 PHE 17 4.401 -0.922 0.203 101 HE2 PHE 17 HE2 PHE 17 4.288 1.137 -3.504 102 HZ PHE 17 HZ PHE 17 3.396 -0.595 -1.975 103 HA PRO 18 HA PRO 18 12.571 3.749 0.246 104 HB2 PRO 18 HB2 PRO 18 13.531 5.146 -1.877 105 HB3 PRO 18 HB1 PRO 18 13.781 3.407 -1.696 106 HG2 PRO 18 HG2 PRO 18 11.803 4.874 -3.385 107 HG3 PRO 18 HG1 PRO 18 12.755 3.433 -3.772 108 HD2 PRO 18 HD2 PRO 18 10.127 3.348 -3.033 109 HD3 PRO 18 HD1 PRO 18 11.260 2.019 -2.745 110 H TRP 19 HN TRP 19 9.948 4.833 0.319 111 HA TRP 19 HA TRP 19 9.574 7.367 -0.378 112 HB2 TRP 19 HB2 TRP 19 7.701 6.163 0.280 113 HB3 TRP 19 HB1 TRP 19 8.375 5.828 1.860 114 HD1 TRP 19 HD1 TRP 19 8.701 8.146 3.275 115 HE1 TRP 19 HE1 TRP 19 6.838 10.005 3.753 116 HE3 TRP 19 3HE TRP 19 5.643 7.137 -0.580 117 HZ2 TRP 19 HZ2 TRP 19 4.408 10.804 2.552 118 HZ3 TRP 19 HZ3 TRP 19 3.580 8.430 -0.888 119 HH2 TRP 19 2HH TRP 19 2.978 10.221 0.645 120 HA PRO 20 HA PRO 20 11.364 5.760 1.984 121 HB2 PRO 20 HB2 PRO 20 12.795 5.599 4.342 122 HB3 PRO 20 HB1 PRO 20 13.482 5.940 2.750 123 HG2 PRO 20 HG2 PRO 20 13.147 7.754 4.990 124 HG3 PRO 20 HG1 PRO 20 13.976 8.038 3.454 125 HD2 PRO 20 HD2 PRO 20 11.257 8.820 4.275 126 HD3 PRO 20 HD1 PRO 20 12.238 9.423 2.924 127 H LEU 21 HN LEU 21 9.782 4.631 2.356 128 HA LEU 21 HA LEU 21 8.492 4.512 4.992 129 HB2 LEU 21 HB2 LEU 21 7.654 3.766 2.247 130 HB3 LEU 21 HB1 LEU 21 6.967 2.831 3.547 131 HG LEU 21 HG LEU 21 6.723 5.832 3.221 132 HD11 LEU 21 HD11 LEU 21 5.482 4.560 1.524 133 HD12 LEU 21 HD12 LEU 21 4.403 5.362 2.662 134 HD13 LEU 21 HD13 LEU 21 4.699 3.629 2.802 135 HD21 LEU 21 HD21 LEU 21 5.469 3.920 5.187 136 HD22 LEU 21 HD22 LEU 21 5.061 5.621 5.020 137 HD23 LEU 21 HD23 LEU 21 6.667 5.155 5.570 138 H GLY 22 HN GLY 22 10.059 2.582 2.553 139 HA2 GLY 22 HA2 GLY 22 11.526 0.797 3.010 140 HA3 GLY 22 HA1 GLY 22 10.850 0.681 4.634 141 H HIS 23 HN HIS 23 10.553 -1.550 4.357 142 HA HIS 23 HA HIS 23 8.839 -2.538 2.278 143 HB2 HIS 23 HB2 HIS 23 10.658 -3.911 3.286 144 HB3 HIS 23 HB1 HIS 23 9.776 -3.907 4.807 145 HD1 HIS 23 HD1 HIS 23 8.065 -5.753 5.110 146 HD2 HIS 23 HD2 HIS 23 9.261 -5.273 1.162 147 HE1 HIS 23 HE1 HIS 23 7.089 -7.695 3.855 148 H GLN 24 HN GLN 24 6.799 -2.071 2.288 149 HA GLN 24 HA GLN 24 5.366 -1.800 4.838 150 HB2 GLN 24 HB2 GLN 24 4.738 -0.678 2.121 151 HB3 GLN 24 HB1 GLN 24 3.767 -0.409 3.545 152 HG2 GLN 24 HG2 GLN 24 6.591 0.528 3.074 153 HG3 GLN 24 HG1 GLN 24 5.136 1.519 3.030 154 HE21 GLN 24 1HE2 GLN 24 4.128 2.008 4.954 155 HE22 GLN 24 2HE2 GLN 24 4.905 1.874 6.482 156 H CYS 25 HN CYS 25 3.665 -3.090 5.165 157 HA CYS 25 HA CYS 25 2.795 -4.816 2.965 158 HB2 CYS 25 HB2 CYS 25 3.112 -5.420 5.885 159 HB3 CYS 25 HB1 CYS 25 2.086 -6.397 4.840 160 H PHE 26 HN PHE 26 0.671 -5.078 2.644 161 HA PHE 26 HA PHE 26 -1.119 -3.502 4.347 162 HB2 PHE 26 HB2 PHE 26 -1.431 -4.309 1.441 163 HB3 PHE 26 HB1 PHE 26 -2.657 -3.471 2.380 164 HD1 PHE 26 HD1 PHE 26 0.444 -3.149 0.519 165 HD2 PHE 26 HD2 PHE 26 -2.277 -1.150 3.110 166 HE1 PHE 26 HE1 PHE 26 1.427 -0.990 -0.122 167 HE2 PHE 26 HE2 PHE 26 -1.300 1.005 2.482 168 HZ PHE 26 HZ PHE 26 0.565 1.092 0.857 169 HA PRO 27 HA PRO 27 -2.399 -7.757 5.543 170 HB2 PRO 27 HB2 PRO 27 -4.053 -6.024 7.327 171 HB3 PRO 27 HB1 PRO 27 -3.097 -7.451 7.739 172 HG2 PRO 27 HG2 PRO 27 -2.215 -5.033 8.394 173 HG3 PRO 27 HG1 PRO 27 -1.095 -6.266 7.785 174 HD2 PRO 27 HD2 PRO 27 -2.251 -3.896 6.365 175 HD3 PRO 27 HD1 PRO 27 -0.622 -4.588 6.270 176 H ASP 28 HN ASP 28 -4.528 -4.906 5.370 177 HA ASP 28 HA ASP 28 -6.103 -6.337 3.440 178 HB2 ASP 28 HB2 ASP 28 -8.215 -5.586 4.337 179 HB3 ASP 28 HB1 ASP 28 -7.369 -6.368 5.651 Start of MODEL 7 1 H1 GLY 1 HN GLY 1 -7.896 -5.627 -0.075 2 HA2 GLY 1 HA2 GLY 1 -6.020 -3.428 -0.277 3 HA3 GLY 1 HA1 GLY 1 -6.607 -4.423 -1.607 4 H PHE 2 HN PHE 2 -6.511 -1.785 -2.012 5 HA PHE 2 HA PHE 2 -9.277 -1.097 -2.271 6 HB2 PHE 2 HB2 PHE 2 -9.093 1.084 -1.112 7 HB3 PHE 2 HB1 PHE 2 -8.876 -0.267 -0.009 8 HD1 PHE 2 HD1 PHE 2 -7.280 2.593 -1.626 9 HD2 PHE 2 HD2 PHE 2 -6.705 -0.695 1.015 10 HE1 PHE 2 HE1 PHE 2 -5.175 3.579 -0.869 11 HE2 PHE 2 HE2 PHE 2 -4.589 0.291 1.781 12 HZ PHE 2 HZ PHE 2 -3.820 2.433 0.837 13 H CYS 3 HN CYS 3 -9.448 1.068 -3.389 14 HA CYS 3 HA CYS 3 -7.143 1.509 -5.121 15 HB2 CYS 3 HB2 CYS 3 -10.069 1.548 -5.858 16 HB3 CYS 3 HB1 CYS 3 -8.787 2.151 -6.894 17 H TRP 4 HN TRP 4 -6.420 3.460 -5.134 18 HA TRP 4 HA TRP 4 -8.145 5.761 -4.563 19 HB2 TRP 4 HB2 TRP 4 -7.064 5.181 -2.399 20 HB3 TRP 4 HB1 TRP 4 -5.492 5.254 -3.189 21 HD1 TRP 4 HD1 TRP 4 -8.434 7.545 -2.367 22 HE1 TRP 4 HE1 TRP 4 -7.616 9.975 -2.171 23 HE3 TRP 4 3HE TRP 4 -3.609 6.834 -3.762 24 HZ2 TRP 4 HZ2 TRP 4 -5.211 11.407 -2.608 25 HZ3 TRP 4 HZ3 TRP 4 -2.130 8.815 -3.896 26 HH2 TRP 4 2HH TRP 4 -2.910 11.012 -3.313 27 H HIS 5 HN HIS 5 -8.002 6.915 -6.182 28 HA HIS 5 HA HIS 5 -7.097 8.437 -7.650 29 HB2 HIS 5 HB2 HIS 5 -5.803 8.527 -5.415 30 HB3 HIS 5 HB1 HIS 5 -4.432 8.027 -6.329 31 HD1 HIS 5 HD1 HIS 5 -3.312 10.011 -7.677 32 HD2 HIS 5 HD2 HIS 5 -6.960 10.733 -5.937 33 HE1 HIS 5 HE1 HIS 5 -3.565 12.506 -7.767 34 H HIS 6 HN HIS 6 -7.282 5.832 -8.476 35 HA HIS 6 HA HIS 6 -6.807 4.516 -10.239 36 HB2 HIS 6 HB2 HIS 6 -6.242 6.684 -11.404 37 HB3 HIS 6 HB1 HIS 6 -4.563 6.440 -10.948 38 HD1 HIS 6 HD1 HIS 6 -3.246 5.533 -12.866 39 HD2 HIS 6 HD2 HIS 6 -7.191 4.251 -12.904 40 HE1 HIS 6 HE1 HIS 6 -3.510 4.169 -14.973 41 H SER 7 HN SER 7 -5.178 4.583 -7.567 42 HA SER 7 HA SER 7 -3.236 2.587 -8.475 43 HB2 SER 7 HB2 SER 7 -3.212 4.218 -5.932 44 HB3 SER 7 HB1 SER 7 -1.931 3.153 -6.530 45 HG SER 7 HG SER 7 -2.928 5.312 -8.019 46 H CYS 8 HN CYS 8 -3.684 0.548 -7.861 47 HA CYS 8 HA CYS 8 -5.613 0.158 -5.688 48 HB2 CYS 8 HB2 CYS 8 -5.384 -1.415 -8.251 49 HB3 CYS 8 HB1 CYS 8 -6.421 -1.831 -6.898 50 H VAL 9 HN VAL 9 -4.805 -0.903 -4.089 51 HA VAL 9 HA VAL 9 -2.609 -2.751 -4.593 52 HB VAL 9 HB VAL 9 -2.252 -2.770 -2.113 53 HG11 VAL 9 HG11 VAL 9 -2.225 -0.019 -3.333 54 HG12 VAL 9 HG12 VAL 9 -0.944 -1.229 -3.430 55 HG13 VAL 9 3HG1 VAL 9 -1.350 -0.497 -1.880 56 HG21 VAL 9 HG21 VAL 9 -4.364 -0.608 -2.044 57 HG22 VAL 9 HG22 VAL 9 -3.360 -1.105 -0.683 58 HG23 VAL 9 HG23 VAL 9 -4.522 -2.234 -1.379 59 HA PRO 10 HA PRO 10 -5.739 -5.828 -4.123 60 HB2 PRO 10 HB2 PRO 10 -4.195 -8.037 -4.305 61 HB3 PRO 10 HB1 PRO 10 -4.587 -7.034 -5.704 62 HG2 PRO 10 HG2 PRO 10 -2.076 -7.135 -4.095 63 HG3 PRO 10 HG1 PRO 10 -2.287 -6.919 -5.841 64 HD2 PRO 10 HD2 PRO 10 -1.782 -4.871 -4.062 65 HD3 PRO 10 HD1 PRO 10 -2.553 -4.667 -5.648 66 H SER 11 HN SER 11 -6.526 -7.291 -2.577 67 HA SER 11 HA SER 11 -5.751 -6.921 0.082 68 HB2 SER 11 HB2 SER 11 -7.439 -9.101 -1.157 69 HB3 SER 11 HB1 SER 11 -7.419 -8.656 0.552 70 HG SER 11 HG SER 11 -9.097 -7.716 -0.996 71 H GLY 12 HN GLY 12 -4.112 -7.828 1.181 72 HA2 GLY 12 HA2 GLY 12 -3.033 -9.870 1.897 73 HA3 GLY 12 HA1 GLY 12 -3.102 -10.413 0.222 74 H THR 13 HN THR 13 -2.440 -7.184 0.258 75 HA THR 13 HA THR 13 0.262 -7.616 -0.504 76 HB THR 13 HB THR 13 -1.345 -5.076 -0.191 77 HG1 THR 13 HG1 THR 13 -2.083 -6.089 -1.912 78 HG21 THR 13 HG21 THR 13 1.037 -4.551 0.089 79 HG22 THR 13 HG22 THR 13 0.466 -3.969 -1.475 80 HG23 THR 13 HG23 THR 13 1.427 -5.444 -1.377 81 H CYS 14 HN CYS 14 1.379 -8.343 1.158 82 HA CYS 14 HA CYS 14 1.935 -6.433 3.323 83 HB2 CYS 14 HB2 CYS 14 0.839 -8.567 4.106 84 HB3 CYS 14 HB1 CYS 14 2.169 -9.461 3.392 85 H ALA 15 HN ALA 15 3.703 -5.411 2.705 86 HA ALA 15 HA ALA 15 6.045 -6.919 1.990 87 HB1 ALA 15 HB1 ALA 15 4.811 -5.063 -0.044 88 HB2 ALA 15 HB2 ALA 15 4.855 -6.818 -0.160 89 HB3 ALA 15 HB3 ALA 15 6.360 -5.896 -0.193 90 H ASP 16 HN ASP 16 7.769 -5.315 1.302 91 HA ASP 16 HA ASP 16 7.734 -3.060 3.117 92 HB2 ASP 16 HB2 ASP 16 10.158 -2.968 2.690 93 HB3 ASP 16 HB1 ASP 16 9.681 -4.582 3.195 94 H PHE 17 HN PHE 17 7.874 -1.022 2.421 95 HA PHE 17 HA PHE 17 7.925 -0.465 -0.453 96 HB2 PHE 17 HB2 PHE 17 5.938 0.589 1.583 97 HB3 PHE 17 HB1 PHE 17 6.130 1.257 -0.028 98 HD1 PHE 17 HD1 PHE 17 4.848 -1.528 1.950 99 HD2 PHE 17 HD2 PHE 17 5.328 0.041 -1.973 100 HE1 PHE 17 HE1 PHE 17 3.186 -3.131 1.110 101 HE2 PHE 17 HE2 PHE 17 3.671 -1.555 -2.817 102 HZ PHE 17 HZ PHE 17 2.597 -3.144 -1.284 103 HA PRO 18 HA PRO 18 10.946 2.552 0.606 104 HB2 PRO 18 HB2 PRO 18 10.137 4.731 -0.892 105 HB3 PRO 18 HB1 PRO 18 11.053 3.363 -1.528 106 HG2 PRO 18 HG2 PRO 18 8.110 3.881 -1.632 107 HG3 PRO 18 HG1 PRO 18 9.180 3.253 -2.899 108 HD2 PRO 18 HD2 PRO 18 7.601 1.614 -1.520 109 HD3 PRO 18 HD1 PRO 18 9.250 1.128 -1.954 110 H TRP 19 HN TRP 19 11.321 4.611 1.584 111 HA TRP 19 HA TRP 19 9.774 5.232 3.767 112 HB2 TRP 19 HB2 TRP 19 12.086 5.891 3.720 113 HB3 TRP 19 HB1 TRP 19 11.852 6.838 2.262 114 HD1 TRP 19 HD1 TRP 19 11.062 6.990 6.050 115 HE1 TRP 19 HE1 TRP 19 10.733 9.458 6.694 116 HE3 TRP 19 3HE TRP 19 11.310 9.086 1.420 117 HZ2 TRP 19 HZ2 TRP 19 10.584 11.954 5.414 118 HZ3 TRP 19 HZ3 TRP 19 11.056 11.517 1.211 119 HH2 TRP 19 2HH TRP 19 10.703 12.912 3.160 120 HA PRO 20 HA PRO 20 8.923 6.404 5.051 121 HB2 PRO 20 HB2 PRO 20 6.566 7.771 5.855 122 HB3 PRO 20 HB1 PRO 20 8.234 8.334 5.996 123 HG2 PRO 20 HG2 PRO 20 6.372 9.532 4.403 124 HG3 PRO 20 HG1 PRO 20 8.108 9.591 4.096 125 HD2 PRO 20 HD2 PRO 20 6.082 7.697 2.909 126 HD3 PRO 20 HD1 PRO 20 7.322 8.669 2.068 127 H LEU 21 HN LEU 21 7.199 4.826 3.021 128 HA LEU 21 HA LEU 21 4.889 4.068 4.526 129 HB2 LEU 21 HB2 LEU 21 6.160 2.778 2.122 130 HB3 LEU 21 HB1 LEU 21 4.644 2.267 2.833 131 HG LEU 21 HG LEU 21 5.196 4.917 1.511 132 HD11 LEU 21 HD11 LEU 21 3.526 2.556 0.677 133 HD12 LEU 21 HD12 LEU 21 5.016 3.124 -0.085 134 HD13 LEU 21 HD13 LEU 21 3.559 4.114 -0.141 135 HD21 LEU 21 HD21 LEU 21 2.656 3.857 2.756 136 HD22 LEU 21 HD22 LEU 21 2.787 5.327 1.792 137 HD23 LEU 21 HD23 LEU 21 3.619 5.218 3.339 138 H GLY 22 HN GLY 22 7.978 2.466 3.784 139 HA2 GLY 22 HA2 GLY 22 9.208 1.072 5.114 140 HA3 GLY 22 HA1 GLY 22 8.083 1.377 6.424 141 H HIS 23 HN HIS 23 6.702 -0.186 6.950 142 HA HIS 23 HA HIS 23 6.508 -2.494 5.136 143 HB2 HIS 23 HB2 HIS 23 6.292 -2.426 8.161 144 HB3 HIS 23 HB1 HIS 23 5.984 -3.845 7.172 145 HD1 HIS 23 HD1 HIS 23 8.656 -2.105 8.948 146 HD2 HIS 23 HD2 HIS 23 8.366 -4.756 5.759 147 HE1 HIS 23 HE1 HIS 23 10.943 -3.111 8.677 148 H GLN 24 HN GLN 24 4.596 -2.740 4.250 149 HA GLN 24 HA GLN 24 2.257 -1.714 5.689 150 HB2 GLN 24 HB2 GLN 24 2.825 -1.431 2.731 151 HB3 GLN 24 HB1 GLN 24 1.292 -1.044 3.497 152 HG2 GLN 24 HG2 GLN 24 3.907 0.265 4.189 153 HG3 GLN 24 HG1 GLN 24 2.727 0.922 3.057 154 HE21 GLN 24 1HE2 GLN 24 3.786 1.843 5.697 155 HE22 GLN 24 2HE2 GLN 24 2.375 2.172 6.618 156 H CYS 25 HN CYS 25 0.799 -3.205 5.994 157 HA CYS 25 HA CYS 25 0.610 -5.389 4.097 158 HB2 CYS 25 HB2 CYS 25 0.679 -5.737 7.106 159 HB3 CYS 25 HB1 CYS 25 0.352 -7.017 5.942 160 H PHE 26 HN PHE 26 -1.129 -4.902 3.192 161 HA PHE 26 HA PHE 26 -3.440 -3.959 4.691 162 HB2 PHE 26 HB2 PHE 26 -3.051 -4.208 1.699 163 HB3 PHE 26 HB1 PHE 26 -4.373 -3.385 2.513 164 HD1 PHE 26 HD1 PHE 26 -1.134 -3.047 1.089 165 HD2 PHE 26 HD2 PHE 26 -3.750 -1.381 4.003 166 HE1 PHE 26 HE1 PHE 26 0.169 -0.969 1.060 167 HE2 PHE 26 HE2 PHE 26 -2.454 0.699 3.981 168 HZ PHE 26 HZ PHE 26 -0.488 0.914 2.511 169 HA PRO 27 HA PRO 27 -4.875 -8.271 4.391 170 HB2 PRO 27 HB2 PRO 27 -7.123 -7.867 5.920 171 HB3 PRO 27 HB1 PRO 27 -5.533 -8.207 6.607 172 HG2 PRO 27 HG2 PRO 27 -6.951 -5.598 6.305 173 HG3 PRO 27 HG1 PRO 27 -5.951 -6.179 7.646 174 HD2 PRO 27 HD2 PRO 27 -5.068 -4.421 5.795 175 HD3 PRO 27 HD1 PRO 27 -3.992 -5.582 6.597 176 H ASP 28 HN ASP 28 -6.569 -5.295 3.828 177 HA ASP 28 HA ASP 28 -8.135 -6.549 1.743 178 HB2 ASP 28 HB2 ASP 28 -9.973 -5.005 2.206 179 HB3 ASP 28 HB1 ASP 28 -9.621 -5.928 3.656 Start of MODEL 8 1 H1 GLY 1 HN GLY 1 -7.773 -5.916 -0.788 2 HA2 GLY 1 HA2 GLY 1 -5.949 -3.888 -1.448 3 HA3 GLY 1 HA1 GLY 1 -6.825 -4.896 -2.590 4 H PHE 2 HN PHE 2 -6.284 -2.267 -3.122 5 HA PHE 2 HA PHE 2 -8.929 -1.176 -3.346 6 HB2 PHE 2 HB2 PHE 2 -8.293 1.008 -2.337 7 HB3 PHE 2 HB1 PHE 2 -8.354 -0.306 -1.170 8 HD1 PHE 2 HD1 PHE 2 -6.318 2.256 -2.704 9 HD2 PHE 2 HD2 PHE 2 -6.193 -1.272 -0.329 10 HE1 PHE 2 HE1 PHE 2 -4.046 2.822 -1.977 11 HE2 PHE 2 HE2 PHE 2 -3.914 -0.697 0.392 12 HZ PHE 2 HZ PHE 2 -2.842 1.349 -0.434 13 H CYS 3 HN CYS 3 -9.133 0.115 -5.108 14 HA CYS 3 HA CYS 3 -6.684 0.756 -6.608 15 HB2 CYS 3 HB2 CYS 3 -9.486 0.435 -7.703 16 HB3 CYS 3 HB1 CYS 3 -8.015 0.631 -8.634 17 H TRP 4 HN TRP 4 -6.365 2.915 -7.121 18 HA TRP 4 HA TRP 4 -8.338 4.870 -7.346 19 HB2 TRP 4 HB2 TRP 4 -8.220 6.093 -5.298 20 HB3 TRP 4 HB1 TRP 4 -8.436 4.390 -4.891 21 HD1 TRP 4 HD1 TRP 4 -5.294 3.548 -4.988 22 HE1 TRP 4 HE1 TRP 4 -3.738 4.356 -3.098 23 HE3 TRP 4 3HE TRP 4 -8.099 7.447 -3.241 24 HZ2 TRP 4 HZ2 TRP 4 -3.715 6.371 -1.142 25 HZ3 TRP 4 HZ3 TRP 4 -7.240 8.758 -1.348 26 HH2 TRP 4 2HH TRP 4 -5.093 8.227 -0.319 27 H HIS 5 HN HIS 5 -7.331 7.014 -7.688 28 HA HIS 5 HA HIS 5 -5.726 8.387 -8.531 29 HB2 HIS 5 HB2 HIS 5 -4.011 6.655 -6.744 30 HB3 HIS 5 HB1 HIS 5 -3.282 7.911 -7.723 31 HD1 HIS 5 HD1 HIS 5 -2.597 9.546 -5.889 32 HD2 HIS 5 HD2 HIS 5 -6.537 8.283 -5.507 33 HE1 HIS 5 HE1 HIS 5 -3.603 10.978 -4.102 34 H HIS 6 HN HIS 6 -6.538 5.887 -9.823 35 HA HIS 6 HA HIS 6 -6.185 4.642 -11.625 36 HB2 HIS 6 HB2 HIS 6 -4.126 6.770 -12.233 37 HB3 HIS 6 HB1 HIS 6 -4.421 5.419 -13.324 38 HD1 HIS 6 HD1 HIS 6 -6.397 5.637 -14.900 39 HD2 HIS 6 HD2 HIS 6 -6.403 8.491 -11.876 40 HE1 HIS 6 HE1 HIS 6 -8.279 7.236 -15.441 41 H SER 7 HN SER 7 -4.732 4.135 -9.096 42 HA SER 7 HA SER 7 -2.861 2.216 -10.241 43 HB2 SER 7 HB2 SER 7 -1.650 4.160 -9.158 44 HB3 SER 7 HB1 SER 7 -2.460 3.750 -7.648 45 HG SER 7 HG SER 7 -0.218 2.850 -8.408 46 H CYS 8 HN CYS 8 -2.639 0.352 -8.595 47 HA CYS 8 HA CYS 8 -4.802 0.236 -6.736 48 HB2 CYS 8 HB2 CYS 8 -5.925 -0.391 -8.863 49 HB3 CYS 8 HB1 CYS 8 -4.790 -1.724 -9.041 50 H VAL 9 HN VAL 9 -4.446 -1.077 -5.137 51 HA VAL 9 HA VAL 9 -2.090 -2.825 -5.266 52 HB VAL 9 HB VAL 9 -3.296 -1.441 -2.841 53 HG11 VAL 9 HG11 VAL 9 -1.283 -2.191 -1.669 54 HG12 VAL 9 HG12 VAL 9 -0.765 -3.038 -3.128 55 HG13 VAL 9 3HG1 VAL 9 -2.232 -3.544 -2.288 56 HG21 VAL 9 HG21 VAL 9 -1.283 -0.038 -2.812 57 HG22 VAL 9 HG22 VAL 9 -2.225 0.200 -4.286 58 HG23 VAL 9 HG23 VAL 9 -0.755 -0.774 -4.326 59 HA PRO 10 HA PRO 10 -5.673 -5.583 -4.678 60 HB2 PRO 10 HB2 PRO 10 -3.782 -7.766 -5.133 61 HB3 PRO 10 HB1 PRO 10 -5.188 -7.304 -6.092 62 HG2 PRO 10 HG2 PRO 10 -2.657 -6.954 -6.984 63 HG3 PRO 10 HG1 PRO 10 -3.978 -5.855 -7.415 64 HD2 PRO 10 HD2 PRO 10 -1.825 -5.510 -5.357 65 HD3 PRO 10 HD1 PRO 10 -2.488 -4.336 -6.522 66 H SER 11 HN SER 11 -5.990 -7.636 -3.323 67 HA SER 11 HA SER 11 -4.942 -7.179 -0.706 68 HB2 SER 11 HB2 SER 11 -6.655 -9.447 -1.742 69 HB3 SER 11 HB1 SER 11 -6.416 -9.013 -0.051 70 HG SER 11 HG SER 11 -8.252 -8.130 -1.665 71 H GLY 12 HN GLY 12 -3.309 -8.321 0.340 72 HA2 GLY 12 HA2 GLY 12 -2.176 -10.442 0.650 73 HA3 GLY 12 HA1 GLY 12 -2.190 -10.625 -1.101 74 H THR 13 HN THR 13 -1.784 -7.492 -0.611 75 HA THR 13 HA THR 13 0.993 -7.653 -1.260 76 HB THR 13 HB THR 13 -0.737 -5.185 -1.034 77 HG1 THR 13 HG1 THR 13 -1.753 -6.117 -2.653 78 HG21 THR 13 HG21 THR 13 1.789 -5.798 -2.594 79 HG22 THR 13 HG22 THR 13 1.700 -4.806 -1.139 80 HG23 THR 13 HG23 THR 13 0.913 -4.268 -2.623 81 H CYS 14 HN CYS 14 2.234 -7.902 0.363 82 HA CYS 14 HA CYS 14 2.156 -5.988 2.572 83 HB2 CYS 14 HB2 CYS 14 3.264 -8.794 2.437 84 HB3 CYS 14 HB1 CYS 14 3.648 -7.675 3.738 85 H ALA 15 HN ALA 15 3.429 -4.393 1.961 86 HA ALA 15 HA ALA 15 6.053 -5.085 0.852 87 HB1 ALA 15 HB1 ALA 15 5.914 -3.202 -0.684 88 HB2 ALA 15 HB2 ALA 15 4.290 -2.832 -0.107 89 HB3 ALA 15 HB3 ALA 15 4.594 -4.336 -0.977 90 H ASP 16 HN ASP 16 7.718 -3.680 1.415 91 HA ASP 16 HA ASP 16 7.083 -2.074 3.743 92 HB2 ASP 16 HB2 ASP 16 9.538 -2.135 4.192 93 HB3 ASP 16 HB1 ASP 16 8.782 -3.720 4.187 94 H PHE 17 HN PHE 17 6.727 -0.123 3.452 95 HA PHE 17 HA PHE 17 8.068 1.399 1.310 96 HB2 PHE 17 HB2 PHE 17 5.633 2.080 2.984 97 HB3 PHE 17 HB1 PHE 17 6.232 3.054 1.660 98 HD1 PHE 17 HD1 PHE 17 4.564 -0.086 2.627 99 HD2 PHE 17 HD2 PHE 17 5.474 2.585 -0.559 100 HE1 PHE 17 HE1 PHE 17 2.899 -1.208 1.229 101 HE2 PHE 17 HE2 PHE 17 3.811 1.451 -1.973 102 HZ PHE 17 HZ PHE 17 2.512 -0.453 -1.064 103 HA PRO 18 HA PRO 18 10.507 2.075 5.147 104 HB2 PRO 18 HB2 PRO 18 11.855 3.980 3.289 105 HB3 PRO 18 HB1 PRO 18 12.559 2.819 4.416 106 HG2 PRO 18 HG2 PRO 18 12.461 2.262 1.824 107 HG3 PRO 18 HG1 PRO 18 12.139 1.007 3.030 108 HD2 PRO 18 HD2 PRO 18 10.225 2.479 1.277 109 HD3 PRO 18 HD1 PRO 18 10.176 0.801 1.852 110 H TRP 19 HN TRP 19 10.321 5.118 3.318 111 HA TRP 19 HA TRP 19 9.889 6.435 5.858 112 HB2 TRP 19 HB2 TRP 19 11.702 7.298 4.621 113 HB3 TRP 19 HB1 TRP 19 10.727 7.477 3.168 114 HD1 TRP 19 HD1 TRP 19 10.498 8.880 6.798 115 HE1 TRP 19 HE1 TRP 19 9.948 11.395 6.628 116 HE3 TRP 19 3HE TRP 19 10.276 9.336 1.717 117 HZ2 TRP 19 HZ2 TRP 19 9.492 13.308 4.626 118 HZ3 TRP 19 HZ3 TRP 19 9.783 11.551 0.753 119 HH2 TRP 19 2HH TRP 19 9.399 13.488 2.182 120 HA PRO 20 HA PRO 20 8.639 6.320 7.174 121 HB2 PRO 20 HB2 PRO 20 6.929 7.688 8.640 122 HB3 PRO 20 HB1 PRO 20 8.123 8.575 7.684 123 HG2 PRO 20 HG2 PRO 20 5.207 8.387 7.291 124 HG3 PRO 20 HG1 PRO 20 6.345 9.582 6.658 125 HD2 PRO 20 HD2 PRO 20 5.318 7.149 5.401 126 HD3 PRO 20 HD1 PRO 20 6.169 8.515 4.650 127 H LEU 21 HN LEU 21 7.061 4.502 5.652 128 HA LEU 21 HA LEU 21 4.621 4.037 7.221 129 HB2 LEU 21 HB2 LEU 21 5.519 2.824 4.658 130 HB3 LEU 21 HB1 LEU 21 4.032 2.363 5.434 131 HG LEU 21 HG LEU 21 3.411 4.891 5.099 132 HD11 LEU 21 HD11 LEU 21 5.451 4.543 2.914 133 HD12 LEU 21 HD12 LEU 21 5.687 5.531 4.338 134 HD13 LEU 21 HD13 LEU 21 4.412 5.946 3.182 135 HD21 LEU 21 HD21 LEU 21 3.530 2.905 2.849 136 HD22 LEU 21 HD22 LEU 21 2.546 4.364 2.879 137 HD23 LEU 21 HD23 LEU 21 2.247 3.079 4.052 138 H GLY 22 HN GLY 22 7.072 2.006 5.728 139 HA2 GLY 22 HA2 GLY 22 8.325 0.401 6.943 140 HA3 GLY 22 HA1 GLY 22 7.007 0.318 8.117 141 H HIS 23 HN HIS 23 6.926 -1.941 7.801 142 HA HIS 23 HA HIS 23 6.214 -3.005 5.236 143 HB2 HIS 23 HB2 HIS 23 7.448 -4.307 6.995 144 HB3 HIS 23 HB1 HIS 23 5.981 -4.295 7.962 145 HD1 HIS 23 HD1 HIS 23 4.613 -6.380 7.698 146 HD2 HIS 23 HD2 HIS 23 6.872 -5.522 4.320 147 HE1 HIS 23 HE1 HIS 23 4.147 -8.218 6.074 148 H GLN 24 HN GLN 24 4.299 -2.711 4.382 149 HA GLN 24 HA GLN 24 1.993 -2.335 6.155 150 HB2 GLN 24 HB2 GLN 24 2.559 -1.228 3.419 151 HB3 GLN 24 HB1 GLN 24 1.028 -1.022 4.237 152 HG2 GLN 24 HG2 GLN 24 3.702 -0.015 5.203 153 HG3 GLN 24 HG1 GLN 24 2.472 0.950 4.396 154 HE21 GLN 24 1HE2 GLN 24 3.378 -0.648 7.357 155 HE22 GLN 24 2HE2 GLN 24 2.170 0.110 8.334 156 H CYS 25 HN CYS 25 0.559 -3.878 6.073 157 HA CYS 25 HA CYS 25 0.209 -5.459 3.629 158 HB2 CYS 25 HB2 CYS 25 -0.372 -6.161 6.521 159 HB3 CYS 25 HB1 CYS 25 -0.880 -7.137 5.152 160 H PHE 26 HN PHE 26 -1.462 -4.642 2.585 161 HA PHE 26 HA PHE 26 -3.445 -3.137 4.049 162 HB2 PHE 26 HB2 PHE 26 -3.259 -3.743 1.089 163 HB3 PHE 26 HB1 PHE 26 -4.409 -2.630 1.817 164 HD1 PHE 26 HD1 PHE 26 -1.131 -3.029 0.465 165 HD2 PHE 26 HD2 PHE 26 -3.455 -0.624 3.098 166 HE1 PHE 26 HE1 PHE 26 0.537 -1.230 0.292 167 HE2 PHE 26 HE2 PHE 26 -1.792 1.178 2.923 168 HZ PHE 26 HZ PHE 26 0.208 0.878 1.520 169 HA PRO 27 HA PRO 27 -5.737 -6.833 5.017 170 HB2 PRO 27 HB2 PRO 27 -7.960 -4.890 5.351 171 HB3 PRO 27 HB1 PRO 27 -7.363 -6.119 6.464 172 HG2 PRO 27 HG2 PRO 27 -6.811 -3.544 6.871 173 HG3 PRO 27 HG1 PRO 27 -5.611 -4.803 7.206 174 HD2 PRO 27 HD2 PRO 27 -5.762 -2.891 4.925 175 HD3 PRO 27 HD1 PRO 27 -4.346 -3.542 5.780 176 H ASP 28 HN ASP 28 -7.135 -4.336 2.958 177 HA ASP 28 HA ASP 28 -8.205 -6.392 1.211 178 HB2 ASP 28 HB2 ASP 28 -9.691 -3.844 1.938 179 HB3 ASP 28 HB1 ASP 28 -10.242 -5.110 0.854 Start of MODEL 9 1 H1 GLY 1 HN GLY 1 -5.240 -5.148 1.789 2 HA2 GLY 1 HA2 GLY 1 -4.589 -4.959 -0.437 3 HA3 GLY 1 HA1 GLY 1 -5.671 -6.268 -0.865 4 H PHE 2 HN PHE 2 -5.305 -3.677 -2.105 5 HA PHE 2 HA PHE 2 -8.110 -2.933 -2.144 6 HB2 PHE 2 HB2 PHE 2 -7.672 -0.551 -2.069 7 HB3 PHE 2 HB1 PHE 2 -7.024 -1.287 -0.615 8 HD1 PHE 2 HD1 PHE 2 -6.292 0.568 -3.638 9 HD2 PHE 2 HD2 PHE 2 -4.557 -1.484 -0.341 10 HE1 PHE 2 HE1 PHE 2 -4.146 1.665 -4.090 11 HE2 PHE 2 HE2 PHE 2 -2.414 -0.393 -0.788 12 HZ PHE 2 HZ PHE 2 -2.199 1.184 -2.663 13 H CYS 3 HN CYS 3 -8.697 -1.845 -4.110 14 HA CYS 3 HA CYS 3 -6.764 -1.544 -6.193 15 HB2 CYS 3 HB2 CYS 3 -7.254 -3.973 -6.296 16 HB3 CYS 3 HB1 CYS 3 -8.967 -3.603 -6.456 17 H TRP 4 HN TRP 4 -7.320 0.479 -6.676 18 HA TRP 4 HA TRP 4 -9.817 0.970 -7.934 19 HB2 TRP 4 HB2 TRP 4 -10.768 2.549 -6.419 20 HB3 TRP 4 HB1 TRP 4 -10.278 1.148 -5.469 21 HD1 TRP 4 HD1 TRP 4 -7.171 2.076 -5.030 22 HE1 TRP 4 HE1 TRP 4 -6.713 4.017 -3.384 23 HE3 TRP 4 3HE TRP 4 -11.820 4.188 -4.925 24 HZ2 TRP 4 HZ2 TRP 4 -8.125 6.145 -2.225 25 HZ3 TRP 4 HZ3 TRP 4 -12.185 6.165 -3.513 26 HH2 TRP 4 2HH TRP 4 -10.373 7.118 -2.187 27 H HIS 5 HN HIS 5 -9.743 3.075 -8.997 28 HA HIS 5 HA HIS 5 -8.677 4.722 -10.195 29 HB2 HIS 5 HB2 HIS 5 -6.930 4.730 -7.716 30 HB3 HIS 5 HB1 HIS 5 -6.663 5.843 -9.037 31 HD1 HIS 5 HD1 HIS 5 -7.316 8.051 -7.983 32 HD2 HIS 5 HD2 HIS 5 -10.108 5.053 -7.266 33 HE1 HIS 5 HE1 HIS 5 -9.222 9.139 -6.738 34 H HIS 6 HN HIS 6 -7.895 1.839 -10.373 35 HA HIS 6 HA HIS 6 -6.444 0.432 -11.309 36 HB2 HIS 6 HB2 HIS 6 -5.319 2.942 -12.580 37 HB3 HIS 6 HB1 HIS 6 -4.805 1.316 -13.016 38 HD1 HIS 6 HD1 HIS 6 -7.411 3.841 -13.722 39 HD2 HIS 6 HD2 HIS 6 -6.897 -0.260 -14.215 40 HE1 HIS 6 HE1 HIS 6 -9.145 3.114 -15.398 41 H SER 7 HN SER 7 -5.815 1.960 -8.755 42 HA SER 7 HA SER 7 -2.972 1.328 -8.581 43 HB2 SER 7 HB2 SER 7 -4.757 2.864 -6.660 44 HB3 SER 7 HB1 SER 7 -2.995 2.757 -6.610 45 HG SER 7 HG SER 7 -3.451 3.614 -8.961 46 H CYS 8 HN CYS 8 -2.930 -0.799 -8.106 47 HA CYS 8 HA CYS 8 -4.823 -1.742 -6.097 48 HB2 CYS 8 HB2 CYS 8 -4.057 -3.245 -8.598 49 HB3 CYS 8 HB1 CYS 8 -5.217 -3.749 -7.372 50 H VAL 9 HN VAL 9 -3.854 -2.487 -4.457 51 HA VAL 9 HA VAL 9 -1.377 -3.967 -4.780 52 HB VAL 9 HB VAL 9 -2.046 -2.024 -2.521 53 HG11 VAL 9 HG11 VAL 9 -0.828 -3.963 -1.709 54 HG12 VAL 9 HG12 VAL 9 0.191 -2.523 -1.675 55 HG13 VAL 9 3HG1 VAL 9 0.401 -3.721 -2.950 56 HG21 VAL 9 HG21 VAL 9 0.108 -1.851 -4.633 57 HG22 VAL 9 HG22 VAL 9 -0.107 -0.729 -3.290 58 HG23 VAL 9 HG23 VAL 9 -1.340 -0.849 -4.545 59 HA PRO 10 HA PRO 10 -4.569 -6.588 -2.981 60 HB2 PRO 10 HB2 PRO 10 -3.449 -8.946 -3.651 61 HB3 PRO 10 HB1 PRO 10 -4.315 -7.941 -4.819 62 HG2 PRO 10 HG2 PRO 10 -1.373 -8.210 -4.365 63 HG3 PRO 10 HG1 PRO 10 -2.262 -8.135 -5.895 64 HD2 PRO 10 HD2 PRO 10 -0.965 -6.012 -4.810 65 HD3 PRO 10 HD1 PRO 10 -2.401 -5.843 -5.840 66 H SER 11 HN SER 11 -4.541 -8.459 -1.526 67 HA SER 11 HA SER 11 -3.184 -7.924 0.855 68 HB2 SER 11 HB2 SER 11 -5.341 -8.999 0.848 69 HB3 SER 11 HB1 SER 11 -4.741 -10.340 -0.109 70 HG SER 11 HG SER 11 -4.616 -9.878 2.597 71 H GLY 12 HN GLY 12 -1.085 -8.226 1.188 72 HA2 GLY 12 HA2 GLY 12 0.564 -9.979 1.633 73 HA3 GLY 12 HA1 GLY 12 0.142 -10.651 0.059 74 H THR 13 HN THR 13 -0.119 -7.775 -0.899 75 HA THR 13 HA THR 13 2.644 -7.572 -1.646 76 HB THR 13 HB THR 13 0.262 -5.875 -2.466 77 HG1 THR 13 HG1 THR 13 0.590 -8.315 -3.024 78 HG21 THR 13 HG21 THR 13 2.458 -4.758 -2.788 79 HG22 THR 13 HG22 THR 13 1.680 -5.148 -4.321 80 HG23 THR 13 HG23 THR 13 3.003 -6.147 -3.729 81 H CYS 14 HN CYS 14 3.959 -6.547 -0.415 82 HA CYS 14 HA CYS 14 2.978 -4.436 1.314 83 HB2 CYS 14 HB2 CYS 14 4.225 -6.351 2.333 84 HB3 CYS 14 HB1 CYS 14 5.635 -5.889 1.393 85 H ALA 15 HN ALA 15 3.231 -2.454 0.746 86 HA ALA 15 HA ALA 15 4.985 -1.876 -1.509 87 HB1 ALA 15 HB1 ALA 15 3.652 0.137 -1.770 88 HB2 ALA 15 HB2 ALA 15 2.762 -0.254 -0.307 89 HB3 ALA 15 HB3 ALA 15 2.619 -1.295 -1.728 90 H ASP 16 HN ASP 16 6.479 -0.262 -1.454 91 HA ASP 16 HA ASP 16 7.340 0.547 1.201 92 HB2 ASP 16 HB2 ASP 16 9.525 1.000 0.140 93 HB3 ASP 16 HB1 ASP 16 9.012 -0.657 -0.120 94 H PHE 17 HN PHE 17 6.996 2.499 1.862 95 HA PHE 17 HA PHE 17 6.664 4.691 -0.076 96 HB2 PHE 17 HB2 PHE 17 5.116 4.229 2.484 97 HB3 PHE 17 HB1 PHE 17 4.940 5.626 1.444 98 HD1 PHE 17 HD1 PHE 17 3.534 2.642 2.399 99 HD2 PHE 17 HD2 PHE 17 4.336 4.908 -1.102 100 HE1 PHE 17 HE1 PHE 17 1.699 1.487 1.235 101 HE2 PHE 17 HE2 PHE 17 2.498 3.753 -2.268 102 HZ PHE 17 HZ PHE 17 1.182 2.043 -1.094 103 HA PRO 18 HA PRO 18 9.603 6.880 2.535 104 HB2 PRO 18 HB2 PRO 18 8.500 9.388 2.667 105 HB3 PRO 18 HB1 PRO 18 9.388 8.782 1.264 106 HG2 PRO 18 HG2 PRO 18 6.430 8.891 1.725 107 HG3 PRO 18 HG1 PRO 18 7.349 9.320 0.270 108 HD2 PRO 18 HD2 PRO 18 6.077 6.986 0.446 109 HD3 PRO 18 HD1 PRO 18 7.664 7.104 -0.336 110 H TRP 19 HN TRP 19 9.665 8.334 4.523 111 HA TRP 19 HA TRP 19 8.244 7.133 6.705 112 HB2 TRP 19 HB2 TRP 19 10.617 8.098 6.643 113 HB3 TRP 19 HB1 TRP 19 9.858 9.679 6.668 114 HD1 TRP 19 HD1 TRP 19 8.543 10.285 8.886 115 HE1 TRP 19 HE1 TRP 19 8.965 9.575 11.354 116 HE3 TRP 19 3HE TRP 19 11.368 6.192 8.011 117 HZ2 TRP 19 HZ2 TRP 19 10.349 7.511 12.709 118 HZ3 TRP 19 HZ3 TRP 19 12.220 4.881 9.914 119 HH2 TRP 19 2HH TRP 19 11.717 5.531 12.216 120 HA PRO 20 HA PRO 20 7.462 7.460 8.600 121 HB2 PRO 20 HB2 PRO 20 5.330 7.575 10.147 122 HB3 PRO 20 HB1 PRO 20 6.459 8.936 10.075 123 HG2 PRO 20 HG2 PRO 20 3.756 8.653 8.860 124 HG3 PRO 20 HG1 PRO 20 4.557 10.099 9.495 125 HD2 PRO 20 HD2 PRO 20 4.396 9.277 6.781 126 HD3 PRO 20 HD1 PRO 20 5.353 10.618 7.436 127 H LEU 21 HN LEU 21 5.952 6.826 5.991 128 HA LEU 21 HA LEU 21 4.042 4.868 6.874 129 HB2 LEU 21 HB2 LEU 21 5.034 5.531 4.113 130 HB3 LEU 21 HB1 LEU 21 3.667 4.491 4.482 131 HG LEU 21 HG LEU 21 3.836 7.451 5.070 132 HD11 LEU 21 HD11 LEU 21 3.651 7.022 2.704 133 HD12 LEU 21 HD12 LEU 21 2.132 7.664 3.337 134 HD13 LEU 21 HD13 LEU 21 2.290 5.940 2.995 135 HD21 LEU 21 HD21 LEU 21 2.454 6.294 6.706 136 HD22 LEU 21 HD22 LEU 21 1.560 5.505 5.407 137 HD23 LEU 21 HD23 LEU 21 1.452 7.253 5.615 138 H GLY 22 HN GLY 22 6.899 4.620 4.669 139 HA2 GLY 22 HA2 GLY 22 8.572 3.064 4.698 140 HA3 GLY 22 HA1 GLY 22 7.944 2.449 6.222 141 H HIS 23 HN HIS 23 7.700 0.317 5.908 142 HA HIS 23 HA HIS 23 6.622 -0.575 3.386 143 HB2 HIS 23 HB2 HIS 23 7.854 -2.062 5.676 144 HB3 HIS 23 HB1 HIS 23 6.974 -2.907 4.403 145 HD1 HIS 23 HD1 HIS 23 10.239 -2.703 5.199 146 HD2 HIS 23 HD2 HIS 23 8.165 -1.392 1.850 147 HE1 HIS 23 HE1 HIS 23 11.934 -2.561 3.348 148 H GLN 24 HN GLN 24 4.619 -0.202 3.266 149 HA GLN 24 HA GLN 24 2.904 -1.020 5.447 150 HB2 GLN 24 HB2 GLN 24 2.332 0.518 2.930 151 HB3 GLN 24 HB1 GLN 24 1.060 -0.009 4.018 152 HG2 GLN 24 HG2 GLN 24 3.317 1.885 4.661 153 HG3 GLN 24 HG1 GLN 24 1.612 2.277 4.438 154 HE21 GLN 24 1HE2 GLN 24 0.653 -0.053 5.930 155 HE22 GLN 24 2HE2 GLN 24 0.993 0.270 7.590 156 H CYS 25 HN CYS 25 2.705 -3.021 5.464 157 HA CYS 25 HA CYS 25 2.466 -4.565 3.034 158 HB2 CYS 25 HB2 CYS 25 2.528 -5.470 5.915 159 HB3 CYS 25 HB1 CYS 25 2.634 -6.512 4.502 160 H PHE 26 HN PHE 26 0.513 -4.481 2.156 161 HA PHE 26 HA PHE 26 -1.787 -3.971 3.766 162 HB2 PHE 26 HB2 PHE 26 -1.477 -4.474 0.805 163 HB3 PHE 26 HB1 PHE 26 -3.004 -4.057 1.572 164 HD1 PHE 26 HD1 PHE 26 0.252 -2.843 0.505 165 HD2 PHE 26 HD2 PHE 26 -3.356 -1.818 2.499 166 HE1 PHE 26 HE1 PHE 26 0.834 -0.468 0.332 167 HE2 PHE 26 HE2 PHE 26 -2.775 0.564 2.325 168 HZ PHE 26 HZ PHE 26 -0.676 1.237 1.245 169 HA PRO 27 HA PRO 27 -2.456 -8.344 4.252 170 HB2 PRO 27 HB2 PRO 27 -3.920 -8.220 6.473 171 HB3 PRO 27 HB1 PRO 27 -2.190 -7.867 6.506 172 HG2 PRO 27 HG2 PRO 27 -4.506 -5.996 6.552 173 HG3 PRO 27 HG1 PRO 27 -2.971 -5.896 7.428 174 HD2 PRO 27 HD2 PRO 27 -3.577 -4.528 5.086 175 HD3 PRO 27 HD1 PRO 27 -1.945 -4.824 5.712 176 H ASP 28 HN ASP 28 -4.745 -5.864 3.625 177 HA ASP 28 HA ASP 28 -6.817 -7.908 3.222 178 HB2 ASP 28 HB2 ASP 28 -7.389 -6.043 4.806 179 HB3 ASP 28 HB1 ASP 28 -7.259 -4.925 3.457 Start of MODEL 10 1 H1 GLY 1 HN GLY 1 -6.527 -7.361 -1.189 2 HA2 GLY 1 HA2 GLY 1 -5.113 -4.859 -1.037 3 HA3 GLY 1 HA1 GLY 1 -5.640 -5.682 -2.498 4 H PHE 2 HN PHE 2 -5.982 -3.167 -2.648 5 HA PHE 2 HA PHE 2 -8.804 -2.722 -2.546 6 HB2 PHE 2 HB2 PHE 2 -8.651 -0.630 -1.223 7 HB3 PHE 2 HB1 PHE 2 -8.185 -2.019 -0.255 8 HD1 PHE 2 HD1 PHE 2 -7.224 1.202 -1.504 9 HD2 PHE 2 HD2 PHE 2 -5.694 -2.422 0.131 10 HE1 PHE 2 HE1 PHE 2 -5.130 2.343 -0.927 11 HE2 PHE 2 HE2 PHE 2 -3.600 -1.276 0.706 12 HZ PHE 2 HZ PHE 2 -3.316 1.106 0.177 13 H CYS 3 HN CYS 3 -9.150 -0.391 -3.533 14 HA CYS 3 HA CYS 3 -6.894 0.341 -5.171 15 HB2 CYS 3 HB2 CYS 3 -8.117 -1.390 -6.473 16 HB3 CYS 3 HB1 CYS 3 -9.559 -0.383 -6.400 17 H TRP 4 HN TRP 4 -6.694 2.443 -5.061 18 HA TRP 4 HA TRP 4 -8.957 4.151 -5.410 19 HB2 TRP 4 HB2 TRP 4 -8.881 5.307 -3.324 20 HB3 TRP 4 HB1 TRP 4 -8.802 3.595 -2.935 21 HD1 TRP 4 HD1 TRP 4 -5.557 3.297 -3.252 22 HE1 TRP 4 HE1 TRP 4 -4.067 4.354 -1.434 23 HE3 TRP 4 3HE TRP 4 -8.897 6.616 -1.281 24 HZ2 TRP 4 HZ2 TRP 4 -4.292 6.302 0.574 25 HZ3 TRP 4 HZ3 TRP 4 -8.178 8.036 0.589 26 HH2 TRP 4 2HH TRP 4 -5.924 7.876 1.498 27 H HIS 5 HN HIS 5 -8.196 6.367 -5.860 28 HA HIS 5 HA HIS 5 -6.780 7.825 -6.943 29 HB2 HIS 5 HB2 HIS 5 -4.698 6.319 -5.317 30 HB3 HIS 5 HB1 HIS 5 -4.291 7.683 -6.336 31 HD1 HIS 5 HD1 HIS 5 -3.810 9.587 -4.811 32 HD2 HIS 5 HD2 HIS 5 -7.050 7.350 -3.510 33 HE1 HIS 5 HE1 HIS 5 -4.641 10.706 -2.709 34 H HIS 6 HN HIS 6 -7.515 5.252 -8.065 35 HA HIS 6 HA HIS 6 -7.211 3.920 -9.849 36 HB2 HIS 6 HB2 HIS 6 -5.014 5.873 -10.617 37 HB3 HIS 6 HB1 HIS 6 -5.567 4.564 -11.649 38 HD1 HIS 6 HD1 HIS 6 -7.553 5.095 -13.159 39 HD2 HIS 6 HD2 HIS 6 -7.005 7.891 -10.128 40 HE1 HIS 6 HE1 HIS 6 -9.158 6.980 -13.645 41 H SER 7 HN SER 7 -5.362 3.845 -7.306 42 HA SER 7 HA SER 7 -3.290 2.115 -8.402 43 HB2 SER 7 HB2 SER 7 -3.568 3.302 -5.623 44 HB3 SER 7 HB1 SER 7 -2.159 2.459 -6.269 45 HG SER 7 HG SER 7 -2.921 4.481 -7.885 46 H CYS 8 HN CYS 8 -4.286 0.165 -8.662 47 HA CYS 8 HA CYS 8 -5.900 -0.887 -6.487 48 HB2 CYS 8 HB2 CYS 8 -5.277 -2.108 -9.186 49 HB3 CYS 8 HB1 CYS 8 -6.376 -2.774 -7.996 50 H VAL 9 HN VAL 9 -4.627 -1.501 -4.896 51 HA VAL 9 HA VAL 9 -2.117 -2.852 -5.342 52 HB VAL 9 HB VAL 9 -3.655 -2.407 -2.758 53 HG11 VAL 9 HG11 VAL 9 -1.490 -2.742 -1.655 54 HG12 VAL 9 HG12 VAL 9 -0.757 -3.103 -3.218 55 HG13 VAL 9 3HG1 VAL 9 -1.999 -4.168 -2.559 56 HG21 VAL 9 HG21 VAL 9 -2.150 -0.496 -2.372 57 HG22 VAL 9 HG22 VAL 9 -3.152 -0.267 -3.805 58 HG23 VAL 9 HG23 VAL 9 -1.460 -0.732 -3.978 59 HA PRO 10 HA PRO 10 -4.466 -6.693 -5.668 60 HB2 PRO 10 HB2 PRO 10 -1.779 -7.910 -5.618 61 HB3 PRO 10 HB1 PRO 10 -3.051 -8.072 -6.833 62 HG2 PRO 10 HG2 PRO 10 -0.870 -6.636 -7.336 63 HG3 PRO 10 HG1 PRO 10 -2.461 -6.093 -7.896 64 HD2 PRO 10 HD2 PRO 10 -0.871 -5.157 -5.533 65 HD3 PRO 10 HD1 PRO 10 -1.796 -4.219 -6.730 66 H SER 11 HN SER 11 -4.955 -8.422 -4.345 67 HA SER 11 HA SER 11 -4.427 -8.056 -1.594 68 HB2 SER 11 HB2 SER 11 -5.772 -10.348 -3.039 69 HB3 SER 11 HB1 SER 11 -5.853 -10.024 -1.306 70 HG SER 11 HG SER 11 -7.653 -9.208 -2.407 71 H GLY 12 HN GLY 12 -2.425 -8.442 -0.845 72 HA2 GLY 12 HA2 GLY 12 -1.197 -10.423 -0.017 73 HA3 GLY 12 HA1 GLY 12 -1.077 -10.878 -1.719 74 H THR 13 HN THR 13 -1.060 -7.832 -2.186 75 HA THR 13 HA THR 13 1.774 -7.743 -2.358 76 HB THR 13 HB THR 13 -0.311 -5.750 -3.253 77 HG1 THR 13 HG1 THR 13 0.687 -8.113 -4.153 78 HG21 THR 13 HG21 THR 13 1.482 -4.883 -4.704 79 HG22 THR 13 HG22 THR 13 2.611 -6.051 -4.020 80 HG23 THR 13 HG23 THR 13 1.958 -4.762 -3.010 81 H CYS 14 HN CYS 14 2.961 -7.065 -0.934 82 HA CYS 14 HA CYS 14 2.177 -5.028 1.006 83 HB2 CYS 14 HB2 CYS 14 3.214 -7.139 1.848 84 HB3 CYS 14 HB1 CYS 14 4.637 -6.806 0.872 85 H ALA 15 HN ALA 15 3.179 -3.039 0.971 86 HA ALA 15 HA ALA 15 5.151 -2.696 -1.156 87 HB1 ALA 15 HB1 ALA 15 2.862 -0.822 -0.592 88 HB2 ALA 15 HB2 ALA 15 2.990 -1.916 -1.971 89 HB3 ALA 15 HB3 ALA 15 4.135 -0.586 -1.788 90 H ASP 16 HN ASP 16 6.762 -1.284 -0.758 91 HA ASP 16 HA ASP 16 7.031 -0.438 1.991 92 HB2 ASP 16 HB2 ASP 16 9.399 0.009 1.448 93 HB3 ASP 16 HB1 ASP 16 8.949 -1.623 0.994 94 H PHE 17 HN PHE 17 5.987 1.331 2.396 95 HA PHE 17 HA PHE 17 5.819 3.419 0.416 96 HB2 PHE 17 HB2 PHE 17 4.555 3.078 3.136 97 HB3 PHE 17 HB1 PHE 17 4.347 4.519 2.146 98 HD1 PHE 17 HD1 PHE 17 2.833 4.535 0.320 99 HD2 PHE 17 HD2 PHE 17 3.650 0.911 2.381 100 HE1 PHE 17 HE1 PHE 17 0.936 3.465 -0.812 101 HE2 PHE 17 HE2 PHE 17 1.761 -0.160 1.246 102 HZ PHE 17 HZ PHE 17 0.395 1.122 -0.357 103 HA PRO 18 HA PRO 18 9.439 5.276 2.217 104 HB2 PRO 18 HB2 PRO 18 8.669 7.596 0.552 105 HB3 PRO 18 HB1 PRO 18 10.179 6.689 0.564 106 HG2 PRO 18 HG2 PRO 18 8.434 6.442 -1.452 107 HG3 PRO 18 HG1 PRO 18 9.376 5.060 -0.866 108 HD2 PRO 18 HD2 PRO 18 6.514 5.759 -0.335 109 HD3 PRO 18 HD1 PRO 18 7.269 4.178 -0.652 110 H TRP 19 HN TRP 19 9.727 6.645 3.865 111 HA TRP 19 HA TRP 19 8.855 8.997 4.257 112 HB2 TRP 19 HB2 TRP 19 6.521 8.687 4.536 113 HB3 TRP 19 HB1 TRP 19 6.772 7.333 5.627 114 HD1 TRP 19 HD1 TRP 19 7.958 8.114 7.902 115 HE1 TRP 19 HE1 TRP 19 7.222 10.065 9.532 116 HE3 TRP 19 3HE TRP 19 5.379 10.837 4.576 117 HZ2 TRP 19 HZ2 TRP 19 5.665 12.455 9.280 118 HZ3 TRP 19 HZ3 TRP 19 4.279 12.923 5.279 119 HH2 TRP 19 2HH TRP 19 4.422 13.707 7.586 120 HA PRO 20 HA PRO 20 9.309 5.808 5.205 121 HB2 PRO 20 HB2 PRO 20 9.905 3.900 7.053 122 HB3 PRO 20 HB1 PRO 20 11.072 4.554 5.902 123 HG2 PRO 20 HG2 PRO 20 10.799 5.081 8.793 124 HG3 PRO 20 HG1 PRO 20 12.214 5.261 7.748 125 HD2 PRO 20 HD2 PRO 20 10.441 7.318 8.666 126 HD3 PRO 20 HD1 PRO 20 11.806 7.490 7.551 127 H LEU 21 HN LEU 21 7.107 5.696 4.948 128 HA LEU 21 HA LEU 21 5.401 5.337 7.219 129 HB2 LEU 21 HB2 LEU 21 4.976 4.804 4.270 130 HB3 LEU 21 HB1 LEU 21 3.719 4.570 5.465 131 HG LEU 21 HG LEU 21 5.003 7.208 4.727 132 HD11 LEU 21 HD11 LEU 21 3.554 6.352 2.988 133 HD12 LEU 21 HD12 LEU 21 2.830 7.741 3.797 134 HD13 LEU 21 HD13 LEU 21 2.265 6.112 4.167 135 HD21 LEU 21 HD21 LEU 21 4.348 7.147 7.083 136 HD22 LEU 21 HD22 LEU 21 2.737 6.595 6.624 137 HD23 LEU 21 HD23 LEU 21 3.289 8.200 6.150 138 H GLY 22 HN GLY 22 7.363 3.526 5.293 139 HA2 GLY 22 HA2 GLY 22 8.363 1.475 5.965 140 HA3 GLY 22 HA1 GLY 22 7.060 1.260 7.118 141 H HIS 23 HN HIS 23 7.397 -0.921 6.249 142 HA HIS 23 HA HIS 23 6.369 -1.503 3.610 143 HB2 HIS 23 HB2 HIS 23 7.209 -3.356 5.855 144 HB3 HIS 23 HB1 HIS 23 6.835 -3.846 4.209 145 HD1 HIS 23 HD1 HIS 23 9.544 -2.270 6.287 146 HD2 HIS 23 HD2 HIS 23 8.824 -3.312 2.331 147 HE1 HIS 23 HE1 HIS 23 11.761 -2.134 5.123 148 H GLN 24 HN GLN 24 4.249 -1.275 3.423 149 HA GLN 24 HA GLN 24 2.555 -2.241 5.607 150 HB2 GLN 24 HB2 GLN 24 1.838 -0.513 3.233 151 HB3 GLN 24 HB1 GLN 24 0.720 -1.017 4.492 152 HG2 GLN 24 HG2 GLN 24 3.136 0.747 4.866 153 HG3 GLN 24 HG1 GLN 24 1.448 1.258 4.828 154 HE21 GLN 24 1HE2 GLN 24 3.511 1.488 6.939 155 HE22 GLN 24 2HE2 GLN 24 2.784 0.785 8.327 156 H CYS 25 HN CYS 25 1.845 -4.185 5.409 157 HA CYS 25 HA CYS 25 1.865 -5.405 2.773 158 HB2 CYS 25 HB2 CYS 25 1.879 -6.687 5.503 159 HB3 CYS 25 HB1 CYS 25 1.922 -7.542 3.966 160 H PHE 26 HN PHE 26 -0.028 -5.686 1.753 161 HA PHE 26 HA PHE 26 -2.432 -5.706 3.421 162 HB2 PHE 26 HB2 PHE 26 -2.205 -5.009 0.493 163 HB3 PHE 26 HB1 PHE 26 -3.626 -4.843 1.510 164 HD1 PHE 26 HD1 PHE 26 -0.696 -3.301 0.253 165 HD2 PHE 26 HD2 PHE 26 -3.501 -3.167 3.443 166 HE1 PHE 26 HE1 PHE 26 -0.020 -0.999 0.737 167 HE2 PHE 26 HE2 PHE 26 -2.821 -0.850 3.939 168 HZ PHE 26 HZ PHE 26 -1.076 0.232 2.582 169 HA PRO 27 HA PRO 27 -2.602 -10.027 1.784 170 HB2 PRO 27 HB2 PRO 27 -4.637 -10.141 3.943 171 HB3 PRO 27 HB1 PRO 27 -3.289 -11.237 3.628 172 HG2 PRO 27 HG2 PRO 27 -3.213 -9.558 5.690 173 HG3 PRO 27 HG1 PRO 27 -1.758 -9.886 4.730 174 HD2 PRO 27 HD2 PRO 27 -3.585 -7.519 4.649 175 HD3 PRO 27 HD1 PRO 27 -1.813 -7.574 4.578 176 H ASP 28 HN ASP 28 -4.966 -7.626 2.608 177 HA ASP 28 HA ASP 28 -6.722 -8.566 0.466 178 HB2 ASP 28 HB2 ASP 28 -7.930 -8.636 2.596 179 HB3 ASP 28 HB1 ASP 28 -7.426 -6.991 2.968 Start of MODEL 11 1 H1 GLY 1 HN GLY 1 -6.318 -7.992 -1.152 2 HA2 GLY 1 HA2 GLY 1 -5.376 -5.321 -1.431 3 HA3 GLY 1 HA1 GLY 1 -5.753 -6.447 -2.720 4 H PHE 2 HN PHE 2 -6.301 -3.675 -2.593 5 HA PHE 2 HA PHE 2 -9.196 -3.690 -2.976 6 HB2 PHE 2 HB2 PHE 2 -7.819 -1.690 -1.153 7 HB3 PHE 2 HB1 PHE 2 -9.475 -1.572 -1.707 8 HD1 PHE 2 HD1 PHE 2 -7.252 -2.874 0.777 9 HD2 PHE 2 HD2 PHE 2 -11.111 -3.359 -0.948 10 HE1 PHE 2 HE1 PHE 2 -7.984 -4.097 2.771 11 HE2 PHE 2 HE2 PHE 2 -11.845 -4.592 1.051 12 HZ PHE 2 HZ PHE 2 -10.284 -4.959 2.913 13 H CYS 3 HN CYS 3 -9.833 -2.177 -4.482 14 HA CYS 3 HA CYS 3 -7.696 -0.663 -5.764 15 HB2 CYS 3 HB2 CYS 3 -10.529 -1.240 -6.682 16 HB3 CYS 3 HB1 CYS 3 -9.350 -0.288 -7.579 17 H TRP 4 HN TRP 4 -7.341 1.070 -4.631 18 HA TRP 4 HA TRP 4 -9.378 3.056 -4.427 19 HB2 TRP 4 HB2 TRP 4 -9.439 3.247 -2.024 20 HB3 TRP 4 HB1 TRP 4 -9.755 1.576 -2.465 21 HD1 TRP 4 HD1 TRP 4 -6.506 0.813 -2.708 22 HE1 TRP 4 HE1 TRP 4 -5.214 0.487 -0.508 23 HE3 TRP 4 3HE TRP 4 -9.686 3.248 0.465 24 HZ2 TRP 4 HZ2 TRP 4 -5.514 1.173 2.225 25 HZ3 TRP 4 HZ3 TRP 4 -9.111 3.362 2.852 26 HH2 TRP 4 2HH TRP 4 -7.070 2.342 3.703 27 H HIS 5 HN HIS 5 -8.358 5.081 -3.465 28 HA HIS 5 HA HIS 5 -6.739 6.668 -3.588 29 HB2 HIS 5 HB2 HIS 5 -5.008 4.283 -2.884 30 HB3 HIS 5 HB1 HIS 5 -4.332 5.889 -3.035 31 HD1 HIS 5 HD1 HIS 5 -3.847 6.637 -0.657 32 HD2 HIS 5 HD2 HIS 5 -7.499 4.690 -0.984 33 HE1 HIS 5 HE1 HIS 5 -4.840 6.623 1.646 34 H HIS 6 HN HIS 6 -7.567 5.153 -5.948 35 HA HIS 6 HA HIS 6 -7.230 5.062 -8.157 36 HB2 HIS 6 HB2 HIS 6 -6.522 7.416 -7.911 37 HB3 HIS 6 HB1 HIS 6 -4.882 6.908 -7.569 38 HD1 HIS 6 HD1 HIS 6 -3.464 7.500 -9.537 39 HD2 HIS 6 HD2 HIS 6 -7.226 6.187 -10.701 40 HE1 HIS 6 HE1 HIS 6 -3.447 7.516 -12.043 41 H SER 7 HN SER 7 -6.035 3.114 -6.307 42 HA SER 7 HA SER 7 -4.314 1.852 -8.262 43 HB2 SER 7 HB2 SER 7 -2.626 1.339 -6.413 44 HB3 SER 7 HB1 SER 7 -2.613 2.968 -7.092 45 HG SER 7 HG SER 7 -4.342 2.761 -5.002 46 H CYS 8 HN CYS 8 -4.392 -0.361 -8.219 47 HA CYS 8 HA CYS 8 -6.097 -1.562 -6.185 48 HB2 CYS 8 HB2 CYS 8 -5.056 -2.687 -8.796 49 HB3 CYS 8 HB1 CYS 8 -6.049 -3.576 -7.649 50 H VAL 9 HN VAL 9 -4.907 -1.738 -4.478 51 HA VAL 9 HA VAL 9 -2.226 -2.631 -4.671 52 HB VAL 9 HB VAL 9 -2.220 -2.573 -2.162 53 HG11 VAL 9 HG11 VAL 9 -3.353 -0.120 -3.503 54 HG12 VAL 9 HG12 VAL 9 -1.651 -0.577 -3.424 55 HG13 VAL 9 3HG1 VAL 9 -2.517 -0.143 -1.950 56 HG21 VAL 9 HG21 VAL 9 -4.175 -1.660 -0.976 57 HG22 VAL 9 HG22 VAL 9 -4.553 -3.197 -1.752 58 HG23 VAL 9 HG23 VAL 9 -5.097 -1.686 -2.481 59 HA PRO 10 HA PRO 10 -3.438 -6.896 -4.529 60 HB2 PRO 10 HB2 PRO 10 -0.748 -7.759 -4.084 61 HB3 PRO 10 HB1 PRO 10 -1.628 -7.690 -5.608 62 HG2 PRO 10 HG2 PRO 10 0.529 -6.088 -5.003 63 HG3 PRO 10 HG1 PRO 10 -0.726 -5.660 -6.176 64 HD2 PRO 10 HD2 PRO 10 -0.425 -4.803 -3.324 65 HD3 PRO 10 HD1 PRO 10 -0.864 -3.858 -4.761 66 H SER 11 HN SER 11 -3.557 -8.776 -3.272 67 HA SER 11 HA SER 11 -3.719 -8.323 -0.448 68 HB2 SER 11 HB2 SER 11 -4.185 -10.869 -2.001 69 HB3 SER 11 HB1 SER 11 -4.788 -10.470 -0.393 70 HG SER 11 HG SER 11 -5.973 -10.031 -2.673 71 H GLY 12 HN GLY 12 -1.737 -8.336 0.654 72 HA2 GLY 12 HA2 GLY 12 -0.394 -9.877 1.880 73 HA3 GLY 12 HA1 GLY 12 -0.208 -10.820 0.401 74 H THR 13 HN THR 13 -0.194 -7.788 -0.627 75 HA THR 13 HA THR 13 2.659 -7.839 -0.831 76 HB THR 13 HB THR 13 0.611 -6.058 -2.144 77 HG1 THR 13 HG1 THR 13 1.404 -8.587 -2.567 78 HG21 THR 13 HG21 THR 13 2.433 -5.443 -3.688 79 HG22 THR 13 HG22 THR 13 3.555 -6.439 -2.767 80 HG23 THR 13 HG23 THR 13 2.852 -4.998 -2.033 81 H CYS 14 HN CYS 14 3.709 -7.012 0.661 82 HA CYS 14 HA CYS 14 2.953 -4.541 2.008 83 HB2 CYS 14 HB2 CYS 14 5.287 -6.415 2.419 84 HB3 CYS 14 HB1 CYS 14 5.066 -4.912 3.306 85 H ALA 15 HN ALA 15 3.296 -2.837 0.817 86 HA ALA 15 HA ALA 15 5.642 -2.725 -0.902 87 HB1 ALA 15 HB1 ALA 15 3.498 -2.103 -1.901 88 HB2 ALA 15 HB2 ALA 15 4.580 -0.711 -1.845 89 HB3 ALA 15 HB3 ALA 15 3.273 -0.863 -0.670 90 H ASP 16 HN ASP 16 7.388 -1.581 -0.332 91 HA ASP 16 HA ASP 16 7.306 -0.154 2.181 92 HB2 ASP 16 HB2 ASP 16 9.735 -0.085 2.001 93 HB3 ASP 16 HB1 ASP 16 9.151 -1.733 1.807 94 H PHE 17 HN PHE 17 7.404 1.955 2.370 95 HA PHE 17 HA PHE 17 8.056 3.502 -0.007 96 HB2 PHE 17 HB2 PHE 17 5.871 4.041 1.987 97 HB3 PHE 17 HB1 PHE 17 6.393 5.208 0.777 98 HD1 PHE 17 HD1 PHE 17 4.458 2.254 1.497 99 HD2 PHE 17 HD2 PHE 17 5.909 4.755 -1.610 100 HE1 PHE 17 HE1 PHE 17 2.799 1.296 -0.042 101 HE2 PHE 17 HE2 PHE 17 4.259 3.797 -3.158 102 HZ PHE 17 HZ PHE 17 2.693 2.051 -2.353 103 HA PRO 18 HA PRO 18 10.958 4.881 3.336 104 HB2 PRO 18 HB2 PRO 18 12.510 5.509 0.891 105 HB3 PRO 18 HB1 PRO 18 13.016 4.617 2.330 106 HG2 PRO 18 HG2 PRO 18 12.601 3.323 0.069 107 HG3 PRO 18 HG1 PRO 18 12.009 2.636 1.594 108 HD2 PRO 18 HD2 PRO 18 10.494 4.178 -0.486 109 HD3 PRO 18 HD1 PRO 18 10.065 2.640 0.299 110 H TRP 19 HN TRP 19 8.804 6.281 2.085 111 HA TRP 19 HA TRP 19 9.355 8.563 0.859 112 HB2 TRP 19 HB2 TRP 19 7.181 7.792 0.720 113 HB3 TRP 19 HB1 TRP 19 7.013 7.795 2.468 114 HD1 TRP 19 HD1 TRP 19 7.121 10.290 3.482 115 HE1 TRP 19 HE1 TRP 19 5.754 12.455 2.697 116 HE3 TRP 19 3HE TRP 19 6.123 8.847 -1.227 117 HZ2 TRP 19 HZ2 TRP 19 4.458 13.285 0.333 118 HZ3 TRP 19 HZ3 TRP 19 4.824 10.317 -2.714 119 HH2 TRP 19 2HH TRP 19 4.012 12.490 -1.949 120 HA PRO 20 HA PRO 20 9.425 7.320 3.991 121 HB2 PRO 20 HB2 PRO 20 9.550 7.662 6.771 122 HB3 PRO 20 HB1 PRO 20 10.909 7.307 5.696 123 HG2 PRO 20 HG2 PRO 20 10.394 9.739 7.105 124 HG3 PRO 20 HG1 PRO 20 11.685 9.428 5.935 125 HD2 PRO 20 HD2 PRO 20 9.055 10.764 5.538 126 HD3 PRO 20 HD1 PRO 20 10.586 10.999 4.665 127 H LEU 21 HN LEU 21 7.554 6.552 3.700 128 HA LEU 21 HA LEU 21 5.286 7.267 5.476 129 HB2 LEU 21 HB2 LEU 21 5.336 5.680 2.911 130 HB3 LEU 21 HB1 LEU 21 3.932 5.734 3.947 131 HG LEU 21 HG LEU 21 5.132 8.076 2.447 132 HD11 LEU 21 HD11 LEU 21 3.117 7.932 1.112 133 HD12 LEU 21 HD12 LEU 21 2.618 6.495 2.004 134 HD13 LEU 21 HD13 LEU 21 4.068 6.452 1.003 135 HD21 LEU 21 HD21 LEU 21 3.142 9.283 3.167 136 HD22 LEU 21 HD22 LEU 21 4.085 8.769 4.563 137 HD23 LEU 21 HD23 LEU 21 2.623 7.888 4.110 138 H GLY 22 HN GLY 22 7.370 4.691 4.479 139 HA2 GLY 22 HA2 GLY 22 8.062 3.014 6.077 140 HA3 GLY 22 HA1 GLY 22 6.491 3.162 6.846 141 H HIS 23 HN HIS 23 6.397 0.843 6.706 142 HA HIS 23 HA HIS 23 6.114 -0.309 4.054 143 HB2 HIS 23 HB2 HIS 23 6.055 -1.560 6.809 144 HB3 HIS 23 HB1 HIS 23 5.726 -2.457 5.337 145 HD1 HIS 23 HD1 HIS 23 8.407 -1.849 7.610 146 HD2 HIS 23 HD2 HIS 23 8.069 -2.167 3.481 147 HE1 HIS 23 HE1 HIS 23 10.705 -2.413 6.770 148 H GLN 24 HN GLN 24 4.250 -0.543 3.092 149 HA GLN 24 HA GLN 24 1.810 -0.293 4.682 150 HB2 GLN 24 HB2 GLN 24 2.321 0.133 1.751 151 HB3 GLN 24 HB1 GLN 24 0.730 0.216 2.473 152 HG2 GLN 24 HG2 GLN 24 3.065 2.034 3.032 153 HG3 GLN 24 HG1 GLN 24 1.590 2.381 2.120 154 HE21 GLN 24 1HE2 GLN 24 -0.279 2.751 3.198 155 HE22 GLN 24 2HE2 GLN 24 -0.374 3.047 4.891 156 H CYS 25 HN CYS 25 1.195 -2.206 5.208 157 HA CYS 25 HA CYS 25 1.405 -4.401 3.279 158 HB2 CYS 25 HB2 CYS 25 1.095 -4.465 6.275 159 HB3 CYS 25 HB1 CYS 25 0.946 -5.884 5.249 160 H PHE 26 HN PHE 26 -0.286 -4.928 2.214 161 HA PHE 26 HA PHE 26 -2.911 -4.369 3.374 162 HB2 PHE 26 HB2 PHE 26 -2.216 -4.934 0.474 163 HB3 PHE 26 HB1 PHE 26 -3.760 -4.396 1.108 164 HD1 PHE 26 HD1 PHE 26 -0.422 -3.378 0.114 165 HD2 PHE 26 HD2 PHE 26 -4.060 -2.100 1.922 166 HE1 PHE 26 HE1 PHE 26 0.250 -1.037 -0.198 167 HE2 PHE 26 HE2 PHE 26 -3.389 0.245 1.605 168 HZ PHE 26 HZ PHE 26 -1.230 0.771 0.543 169 HA PRO 27 HA PRO 27 -2.710 -8.876 3.766 170 HB2 PRO 27 HB2 PRO 27 -4.993 -9.127 5.243 171 HB3 PRO 27 HB1 PRO 27 -3.441 -8.675 5.949 172 HG2 PRO 27 HG2 PRO 27 -5.764 -6.953 5.204 173 HG3 PRO 27 HG1 PRO 27 -4.698 -6.845 6.614 174 HD2 PRO 27 HD2 PRO 27 -4.474 -5.234 4.436 175 HD3 PRO 27 HD1 PRO 27 -3.089 -5.674 5.456 176 H ASP 28 HN ASP 28 -5.270 -6.879 2.627 177 HA ASP 28 HA ASP 28 -6.157 -8.910 0.775 178 HB2 ASP 28 HB2 ASP 28 -7.712 -8.947 2.742 179 HB3 ASP 28 HB1 ASP 28 -7.994 -7.229 2.516 Start of MODEL 12 1 H1 GLY 1 HN GLY 1 -6.717 -6.972 0.362 2 HA2 GLY 1 HA2 GLY 1 -5.722 -4.494 -0.670 3 HA3 GLY 1 HA1 GLY 1 -5.954 -5.987 -1.568 4 H PHE 2 HN PHE 2 -6.549 -3.702 -2.799 5 HA PHE 2 HA PHE 2 -9.250 -3.911 -3.468 6 HB2 PHE 2 HB2 PHE 2 -9.991 -1.632 -2.739 7 HB3 PHE 2 HB1 PHE 2 -9.698 -2.714 -1.389 8 HD1 PHE 2 HD1 PHE 2 -8.938 0.442 -2.873 9 HD2 PHE 2 HD2 PHE 2 -7.491 -2.461 -0.125 10 HE1 PHE 2 HE1 PHE 2 -7.457 2.122 -1.858 11 HE2 PHE 2 HE2 PHE 2 -6.010 -0.783 0.878 12 HZ PHE 2 HZ PHE 2 -5.999 1.516 0.008 13 H CYS 3 HN CYS 3 -9.763 -1.776 -4.883 14 HA CYS 3 HA CYS 3 -7.357 -1.386 -6.503 15 HB2 CYS 3 HB2 CYS 3 -10.269 -1.300 -7.327 16 HB3 CYS 3 HB1 CYS 3 -8.900 -1.007 -8.393 17 H TRP 4 HN TRP 4 -6.514 0.573 -6.576 18 HA TRP 4 HA TRP 4 -8.155 2.923 -6.369 19 HB2 TRP 4 HB2 TRP 4 -7.168 3.803 -4.368 20 HB3 TRP 4 HB1 TRP 4 -7.690 2.157 -4.036 21 HD1 TRP 4 HD1 TRP 4 -4.928 0.735 -5.228 22 HE1 TRP 4 HE1 TRP 4 -2.798 0.878 -3.784 23 HE3 TRP 4 3HE TRP 4 -6.249 4.643 -2.211 24 HZ2 TRP 4 HZ2 TRP 4 -1.822 2.441 -1.657 25 HZ3 TRP 4 HZ3 TRP 4 -4.662 5.382 -0.487 26 HH2 TRP 4 2HH TRP 4 -2.505 4.296 -0.220 27 H HIS 5 HN HIS 5 -6.853 4.816 -6.929 28 HA HIS 5 HA HIS 5 -5.269 5.921 -8.163 29 HB2 HIS 5 HB2 HIS 5 -3.510 3.736 -7.037 30 HB3 HIS 5 HB1 HIS 5 -2.873 5.034 -8.020 31 HD1 HIS 5 HD1 HIS 5 -1.534 6.351 -6.366 32 HD2 HIS 5 HD2 HIS 5 -5.261 5.314 -4.881 33 HE1 HIS 5 HE1 HIS 5 -1.701 7.411 -4.081 34 H HIS 6 HN HIS 6 -6.819 3.637 -9.314 35 HA HIS 6 HA HIS 6 -7.105 2.528 -11.240 36 HB2 HIS 6 HB2 HIS 6 -6.146 4.569 -12.341 37 HB3 HIS 6 HB1 HIS 6 -4.544 3.877 -12.193 38 HD1 HIS 6 HD1 HIS 6 -3.749 2.820 -14.326 39 HD2 HIS 6 HD2 HIS 6 -7.891 2.785 -13.982 40 HE1 HIS 6 HE1 HIS 6 -4.613 1.820 -16.471 41 H SER 7 HN SER 7 -5.139 1.632 -8.962 42 HA SER 7 HA SER 7 -4.068 -0.653 -10.452 43 HB2 SER 7 HB2 SER 7 -2.760 0.813 -8.148 44 HB3 SER 7 HB1 SER 7 -2.122 -0.624 -8.949 45 HG SER 7 HG SER 7 -2.190 0.674 -10.926 46 H CYS 8 HN CYS 8 -4.483 -2.621 -9.559 47 HA CYS 8 HA CYS 8 -6.025 -2.610 -7.095 48 HB2 CYS 8 HB2 CYS 8 -5.712 -4.755 -9.197 49 HB3 CYS 8 HB1 CYS 8 -6.690 -4.908 -7.742 50 H VAL 9 HN VAL 9 -5.046 -2.984 -5.313 51 HA VAL 9 HA VAL 9 -2.561 -4.502 -5.328 52 HB VAL 9 HB VAL 9 -2.535 -2.208 -4.331 53 HG11 VAL 9 HG11 VAL 9 -4.757 -2.015 -3.473 54 HG12 VAL 9 HG12 VAL 9 -3.592 -1.734 -2.178 55 HG13 VAL 9 3HG1 VAL 9 -4.444 -3.275 -2.281 56 HG21 VAL 9 HG21 VAL 9 -2.037 -4.404 -2.333 57 HG22 VAL 9 HG22 VAL 9 -1.418 -2.758 -2.209 58 HG23 VAL 9 HG23 VAL 9 -0.900 -3.796 -3.537 59 HA PRO 10 HA PRO 10 -5.043 -7.727 -3.445 60 HB2 PRO 10 HB2 PRO 10 -3.186 -9.624 -3.231 61 HB3 PRO 10 HB1 PRO 10 -3.771 -9.093 -4.814 62 HG2 PRO 10 HG2 PRO 10 -1.234 -8.377 -3.402 63 HG3 PRO 10 HG1 PRO 10 -1.502 -8.733 -5.118 64 HD2 PRO 10 HD2 PRO 10 -1.321 -6.184 -4.036 65 HD3 PRO 10 HD1 PRO 10 -2.089 -6.583 -5.581 66 H SER 11 HN SER 11 -4.752 -9.321 -1.532 67 HA SER 11 HA SER 11 -3.892 -7.798 0.788 68 HB2 SER 11 HB2 SER 11 -5.352 -10.447 0.615 69 HB3 SER 11 HB1 SER 11 -5.195 -9.414 2.037 70 HG SER 11 HG SER 11 -6.866 -9.248 -0.117 71 H GLY 12 HN GLY 12 -2.065 -8.358 1.973 72 HA2 GLY 12 HA2 GLY 12 -0.813 -10.181 2.966 73 HA3 GLY 12 HA1 GLY 12 -0.894 -10.995 1.405 74 H THR 13 HN THR 13 -0.591 -8.016 0.486 75 HA THR 13 HA THR 13 2.271 -8.272 0.337 76 HB THR 13 HB THR 13 1.148 -8.050 -1.820 77 HG1 THR 13 HG1 THR 13 3.166 -7.086 -1.704 78 HG21 THR 13 HG21 THR 13 -0.002 -5.970 -2.458 79 HG22 THR 13 HG22 THR 13 0.128 -5.406 -0.793 80 HG23 THR 13 HG23 THR 13 -0.844 -6.829 -1.170 81 H CYS 14 HN CYS 14 3.417 -7.215 1.639 82 HA CYS 14 HA CYS 14 2.533 -4.581 2.587 83 HB2 CYS 14 HB2 CYS 14 2.645 -6.283 4.414 84 HB3 CYS 14 HB1 CYS 14 4.352 -6.512 4.053 85 H ALA 15 HN ALA 15 3.663 -2.979 1.772 86 HA ALA 15 HA ALA 15 6.354 -3.603 0.786 87 HB1 ALA 15 HB1 ALA 15 4.778 -3.285 -1.055 88 HB2 ALA 15 HB2 ALA 15 5.978 -1.992 -1.015 89 HB3 ALA 15 HB3 ALA 15 4.348 -1.699 -0.417 90 H ASP 16 HN ASP 16 7.763 -1.721 0.633 91 HA ASP 16 HA ASP 16 7.412 -0.063 2.989 92 HB2 ASP 16 HB2 ASP 16 9.837 0.379 2.841 93 HB3 ASP 16 HB1 ASP 16 9.493 -1.341 2.935 94 H PHE 17 HN PHE 17 6.872 1.899 2.829 95 HA PHE 17 HA PHE 17 7.368 3.416 0.364 96 HB2 PHE 17 HB2 PHE 17 5.026 3.660 2.295 97 HB3 PHE 17 HB1 PHE 17 5.303 4.710 0.917 98 HD1 PHE 17 HD1 PHE 17 4.356 1.317 1.971 99 HD2 PHE 17 HD2 PHE 17 4.623 4.040 -1.277 100 HE1 PHE 17 HE1 PHE 17 2.956 -0.177 0.610 101 HE2 PHE 17 HE2 PHE 17 3.238 2.550 -2.649 102 HZ PHE 17 HZ PHE 17 2.397 0.436 -1.706 103 HA PRO 18 HA PRO 18 10.106 4.779 3.610 104 HB2 PRO 18 HB2 PRO 18 11.134 6.970 2.192 105 HB3 PRO 18 HB1 PRO 18 11.794 5.335 2.243 106 HG2 PRO 18 HG2 PRO 18 10.084 6.622 0.183 107 HG3 PRO 18 HG1 PRO 18 11.339 5.392 -0.006 108 HD2 PRO 18 HD2 PRO 18 8.715 4.825 -0.159 109 HD3 PRO 18 HD1 PRO 18 9.886 3.657 0.480 110 H TRP 19 HN TRP 19 9.240 7.851 2.072 111 HA TRP 19 HA TRP 19 8.761 8.732 4.777 112 HB2 TRP 19 HB2 TRP 19 10.518 9.940 3.671 113 HB3 TRP 19 HB1 TRP 19 9.460 10.335 2.320 114 HD1 TRP 19 HD1 TRP 19 9.631 11.052 6.140 115 HE1 TRP 19 HE1 TRP 19 8.752 13.421 6.544 116 HE3 TRP 19 3HE TRP 19 8.303 12.234 1.349 117 HZ2 TRP 19 HZ2 TRP 19 7.630 15.533 5.027 118 HZ3 TRP 19 HZ3 TRP 19 7.332 14.447 0.911 119 HH2 TRP 19 2HH TRP 19 7.004 16.062 2.715 120 HA PRO 20 HA PRO 20 7.685 9.157 6.158 121 HB2 PRO 20 HB2 PRO 20 5.595 10.285 7.494 122 HB3 PRO 20 HB1 PRO 20 6.845 11.245 6.701 123 HG2 PRO 20 HG2 PRO 20 4.075 11.118 6.042 124 HG3 PRO 20 HG1 PRO 20 5.337 12.012 5.186 125 HD2 PRO 20 HD2 PRO 20 4.216 9.299 4.603 126 HD3 PRO 20 HD1 PRO 20 4.828 10.533 3.474 127 H LEU 21 HN LEU 21 6.375 6.959 4.862 128 HA LEU 21 HA LEU 21 4.190 6.205 6.665 129 HB2 LEU 21 HB2 LEU 21 4.994 5.030 4.017 130 HB3 LEU 21 HB1 LEU 21 3.631 4.499 4.978 131 HG LEU 21 HG LEU 21 3.926 7.220 3.699 132 HD11 LEU 21 HD11 LEU 21 3.555 5.425 2.084 133 HD12 LEU 21 HD12 LEU 21 2.166 6.495 2.210 134 HD13 LEU 21 HD13 LEU 21 2.128 4.911 2.986 135 HD21 LEU 21 HD21 LEU 21 1.578 7.529 4.362 136 HD22 LEU 21 HD22 LEU 21 2.636 7.352 5.758 137 HD23 LEU 21 HD23 LEU 21 1.634 5.997 5.232 138 H GLY 22 HN GLY 22 6.789 4.454 4.993 139 HA2 GLY 22 HA2 GLY 22 8.394 3.163 6.133 140 HA3 GLY 22 HA1 GLY 22 7.259 2.969 7.467 141 H HIS 23 HN HIS 23 6.598 0.941 7.559 142 HA HIS 23 HA HIS 23 6.376 -0.580 5.082 143 HB2 HIS 23 HB2 HIS 23 6.234 -1.503 7.963 144 HB3 HIS 23 HB1 HIS 23 6.121 -2.560 6.561 145 HD1 HIS 23 HD1 HIS 23 8.539 -1.504 8.973 146 HD2 HIS 23 HD2 HIS 23 8.583 -2.163 4.867 147 HE1 HIS 23 HE1 HIS 23 10.942 -1.819 8.356 148 H GLN 24 HN GLN 24 4.518 -0.385 4.100 149 HA GLN 24 HA GLN 24 2.092 -0.186 5.715 150 HB2 GLN 24 HB2 GLN 24 2.584 0.617 2.850 151 HB3 GLN 24 HB1 GLN 24 1.009 0.652 3.618 152 HG2 GLN 24 HG2 GLN 24 3.422 2.236 4.468 153 HG3 GLN 24 HG1 GLN 24 2.031 2.851 3.577 154 HE21 GLN 24 1HE2 GLN 24 0.072 1.339 5.127 155 HE22 GLN 24 2HE2 GLN 24 -0.017 2.074 6.668 156 H CYS 25 HN CYS 25 1.158 -1.976 5.986 157 HA CYS 25 HA CYS 25 1.467 -4.093 4.024 158 HB2 CYS 25 HB2 CYS 25 0.358 -4.187 6.825 159 HB3 CYS 25 HB1 CYS 25 0.674 -5.568 5.780 160 H PHE 26 HN PHE 26 -0.278 -4.968 2.961 161 HA PHE 26 HA PHE 26 -2.847 -3.699 3.520 162 HB2 PHE 26 HB2 PHE 26 -1.818 -4.878 0.918 163 HB3 PHE 26 HB1 PHE 26 -3.445 -4.266 1.168 164 HD1 PHE 26 HD1 PHE 26 0.076 -3.357 0.733 165 HD2 PHE 26 HD2 PHE 26 -3.878 -1.887 1.296 166 HE1 PHE 26 HE1 PHE 26 0.822 -1.102 0.068 167 HE2 PHE 26 HE2 PHE 26 -3.141 0.365 0.638 168 HZ PHE 26 HZ PHE 26 -0.788 0.761 0.024 169 HA PRO 27 HA PRO 27 -3.632 -8.055 4.671 170 HB2 PRO 27 HB2 PRO 27 -5.636 -6.961 6.472 171 HB3 PRO 27 HB1 PRO 27 -4.164 -7.838 6.886 172 HG2 PRO 27 HG2 PRO 27 -4.537 -5.188 7.431 173 HG3 PRO 27 HG1 PRO 27 -2.947 -5.918 7.166 174 HD2 PRO 27 HD2 PRO 27 -4.639 -4.323 5.286 175 HD3 PRO 27 HD1 PRO 27 -2.876 -4.286 5.534 176 H ASP 28 HN ASP 28 -5.429 -5.449 3.548 177 HA ASP 28 HA ASP 28 -7.377 -7.212 2.318 178 HB2 ASP 28 HB2 ASP 28 -8.484 -6.286 4.334 179 HB3 ASP 28 HB1 ASP 28 -8.142 -4.658 3.756 Start of MODEL 13 1 H1 GLY 1 HN GLY 1 -7.619 -4.961 1.813 2 HA2 GLY 1 HA2 GLY 1 -6.119 -2.674 1.007 3 HA3 GLY 1 HA1 GLY 1 -6.765 -3.914 -0.053 4 H PHE 2 HN PHE 2 -6.964 -1.692 -1.220 5 HA PHE 2 HA PHE 2 -9.699 -0.843 -1.050 6 HB2 PHE 2 HB2 PHE 2 -9.101 1.575 -0.830 7 HB3 PHE 2 HB1 PHE 2 -8.755 0.641 0.616 8 HD1 PHE 2 HD1 PHE 2 -7.348 2.664 -2.066 9 HD2 PHE 2 HD2 PHE 2 -6.407 0.139 1.233 10 HE1 PHE 2 HE1 PHE 2 -5.044 3.519 -2.069 11 HE2 PHE 2 HE2 PHE 2 -4.099 0.992 1.231 12 HZ PHE 2 HZ PHE 2 -3.414 2.679 -0.418 13 H CYS 3 HN CYS 3 -10.318 0.306 -2.951 14 HA CYS 3 HA CYS 3 -8.219 0.514 -4.943 15 HB2 CYS 3 HB2 CYS 3 -9.409 -1.636 -5.360 16 HB3 CYS 3 HB1 CYS 3 -10.919 -0.743 -5.504 17 H TRP 4 HN TRP 4 -8.152 2.464 -5.667 18 HA TRP 4 HA TRP 4 -10.575 3.901 -6.277 19 HB2 TRP 4 HB2 TRP 4 -10.126 5.808 -4.939 20 HB3 TRP 4 HB1 TRP 4 -9.805 4.447 -3.872 21 HD1 TRP 4 HD1 TRP 4 -6.770 3.854 -4.598 22 HE1 TRP 4 HE1 TRP 4 -4.933 5.558 -3.997 23 HE3 TRP 4 3HE TRP 4 -9.680 8.017 -4.123 24 HZ2 TRP 4 HZ2 TRP 4 -4.761 8.328 -3.413 25 HZ3 TRP 4 HZ3 TRP 4 -8.609 10.149 -3.534 26 HH2 TRP 4 2HH TRP 4 -6.200 10.293 -3.181 27 H HIS 5 HN HIS 5 -10.075 5.607 -7.837 28 HA HIS 5 HA HIS 5 -9.008 6.427 -9.679 29 HB2 HIS 5 HB2 HIS 5 -6.681 5.914 -7.852 30 HB3 HIS 5 HB1 HIS 5 -6.377 6.472 -9.479 31 HD1 HIS 5 HD1 HIS 5 -5.650 8.847 -9.099 32 HD2 HIS 5 HD2 HIS 5 -9.025 7.874 -6.899 33 HE1 HIS 5 HE1 HIS 5 -6.387 10.986 -7.965 34 H HIS 6 HN HIS 6 -9.572 3.555 -9.321 35 HA HIS 6 HA HIS 6 -9.431 1.578 -10.329 36 HB2 HIS 6 HB2 HIS 6 -9.515 2.975 -12.442 37 HB3 HIS 6 HB1 HIS 6 -7.758 2.938 -12.484 38 HD1 HIS 6 HD1 HIS 6 -7.160 1.389 -14.385 39 HD2 HIS 6 HD2 HIS 6 -10.303 -0.064 -12.096 40 HE1 HIS 6 HE1 HIS 6 -7.726 -0.867 -15.343 41 H SER 7 HN SER 7 -7.302 2.657 -8.487 42 HA SER 7 HA SER 7 -5.171 0.777 -9.136 43 HB2 SER 7 HB2 SER 7 -4.600 3.217 -8.646 44 HB3 SER 7 HB1 SER 7 -5.213 2.958 -7.015 45 HG SER 7 HG SER 7 -3.123 1.558 -8.274 46 H CYS 8 HN CYS 8 -5.846 -1.134 -8.383 47 HA CYS 8 HA CYS 8 -7.323 -1.205 -5.884 48 HB2 CYS 8 HB2 CYS 8 -6.928 -3.395 -7.929 49 HB3 CYS 8 HB1 CYS 8 -7.897 -3.524 -6.473 50 H VAL 9 HN VAL 9 -6.157 -1.336 -4.187 51 HA VAL 9 HA VAL 9 -3.636 -2.757 -4.129 52 HB VAL 9 HB VAL 9 -5.086 -1.139 -2.001 53 HG11 VAL 9 HG11 VAL 9 -2.230 -2.081 -2.106 54 HG12 VAL 9 HG12 VAL 9 -3.494 -2.701 -1.044 55 HG13 VAL 9 3HG1 VAL 9 -2.928 -1.040 -0.864 56 HG21 VAL 9 HG21 VAL 9 -3.519 0.654 -2.522 57 HG22 VAL 9 HG22 VAL 9 -4.517 0.241 -3.919 58 HG23 VAL 9 HG23 VAL 9 -2.844 -0.312 -3.834 59 HA PRO 10 HA PRO 10 -6.000 -6.258 -2.657 60 HB2 PRO 10 HB2 PRO 10 -3.939 -7.953 -2.258 61 HB3 PRO 10 HB1 PRO 10 -4.546 -7.562 -3.870 62 HG2 PRO 10 HG2 PRO 10 -2.140 -6.534 -2.439 63 HG3 PRO 10 HG1 PRO 10 -2.342 -6.935 -4.151 64 HD2 PRO 10 HD2 PRO 10 -2.409 -4.382 -3.152 65 HD3 PRO 10 HD1 PRO 10 -3.210 -4.885 -4.652 66 H SER 11 HN SER 11 -6.360 -7.404 -0.748 67 HA SER 11 HA SER 11 -5.500 -6.086 1.651 68 HB2 SER 11 HB2 SER 11 -7.250 -8.531 1.245 69 HB3 SER 11 HB1 SER 11 -7.057 -7.641 2.759 70 HG SER 11 HG SER 11 -7.995 -6.538 0.330 71 H GLY 12 HN GLY 12 -3.772 -6.686 2.851 72 HA2 GLY 12 HA2 GLY 12 -2.546 -8.403 3.943 73 HA3 GLY 12 HA1 GLY 12 -2.814 -9.434 2.540 74 H THR 13 HN THR 13 -2.214 -6.323 1.582 75 HA THR 13 HA THR 13 0.366 -7.052 0.644 76 HB THR 13 HB THR 13 -1.025 -5.694 -0.828 77 HG1 THR 13 HG1 THR 13 1.034 -5.240 -1.248 78 HG21 THR 13 HG21 THR 13 -0.904 -3.606 1.330 79 HG22 THR 13 HG22 THR 13 -2.350 -4.450 0.762 80 HG23 THR 13 HG23 THR 13 -1.509 -3.311 -0.298 81 H CYS 14 HN CYS 14 1.701 -7.334 2.251 82 HA CYS 14 HA CYS 14 2.445 -4.935 3.731 83 HB2 CYS 14 HB2 CYS 14 2.551 -7.778 4.779 84 HB3 CYS 14 HB1 CYS 14 3.036 -6.332 5.665 85 H ALA 15 HN ALA 15 4.062 -4.257 2.611 86 HA ALA 15 HA ALA 15 6.364 -5.976 2.254 87 HB1 ALA 15 HB1 ALA 15 5.050 -4.504 -0.033 88 HB2 ALA 15 HB2 ALA 15 5.105 -6.255 0.175 89 HB3 ALA 15 HB3 ALA 15 6.594 -5.351 -0.109 90 H ASP 16 HN ASP 16 8.287 -4.730 1.846 91 HA ASP 16 HA ASP 16 8.020 -2.044 2.916 92 HB2 ASP 16 HB2 ASP 16 10.408 -2.132 3.369 93 HB3 ASP 16 HB1 ASP 16 9.614 -3.540 4.058 94 H PHE 17 HN PHE 17 8.267 -0.380 1.866 95 HA PHE 17 HA PHE 17 9.231 -0.454 -0.902 96 HB2 PHE 17 HB2 PHE 17 7.213 1.336 0.499 97 HB3 PHE 17 HB1 PHE 17 7.773 1.605 -1.139 98 HD1 PHE 17 HD1 PHE 17 6.007 -0.892 0.996 99 HD2 PHE 17 HD2 PHE 17 6.612 0.645 -2.917 100 HE1 PHE 17 HE1 PHE 17 4.148 -2.265 0.177 101 HE2 PHE 17 HE2 PHE 17 4.753 -0.733 -3.746 102 HZ PHE 17 HZ PHE 17 3.517 -2.191 -2.190 103 HA PRO 18 HA PRO 18 12.495 2.382 0.261 104 HB2 PRO 18 HB2 PRO 18 12.035 4.511 -1.482 105 HB3 PRO 18 HB1 PRO 18 12.979 3.067 -1.862 106 HG2 PRO 18 HG2 PRO 18 10.124 3.693 -2.491 107 HG3 PRO 18 HG1 PRO 18 11.342 2.891 -3.499 108 HD2 PRO 18 HD2 PRO 18 9.464 1.470 -2.281 109 HD3 PRO 18 HD1 PRO 18 11.132 0.872 -2.351 110 H TRP 19 HN TRP 19 12.926 4.335 1.336 111 HA TRP 19 HA TRP 19 10.944 5.401 3.095 112 HB2 TRP 19 HB2 TRP 19 13.493 5.295 3.387 113 HB3 TRP 19 HB1 TRP 19 13.572 6.681 2.309 114 HD1 TRP 19 HD1 TRP 19 12.559 8.919 3.224 115 HE1 TRP 19 HE1 TRP 19 12.234 9.837 5.649 116 HE3 TRP 19 3HE TRP 19 12.957 4.576 5.697 117 HZ2 TRP 19 HZ2 TRP 19 12.167 8.763 8.266 118 HZ3 TRP 19 HZ3 TRP 19 12.756 4.549 8.163 119 HH2 TRP 19 2HH TRP 19 12.369 6.599 9.406 120 HA PRO 20 HA PRO 20 10.413 7.236 4.151 121 HB2 PRO 20 HB2 PRO 20 8.343 8.815 4.570 122 HB3 PRO 20 HB1 PRO 20 9.910 9.477 4.088 123 HG2 PRO 20 HG2 PRO 20 7.452 9.048 2.456 124 HG3 PRO 20 HG1 PRO 20 8.612 10.385 2.406 125 HD2 PRO 20 HD2 PRO 20 8.575 8.177 0.675 126 HD3 PRO 20 HD1 PRO 20 9.927 9.300 0.894 127 H LEU 21 HN LEU 21 8.823 5.446 2.050 128 HA LEU 21 HA LEU 21 6.366 5.057 3.472 129 HB2 LEU 21 HB2 LEU 21 7.642 3.461 1.257 130 HB3 LEU 21 HB1 LEU 21 6.137 2.997 2.011 131 HG LEU 21 HG LEU 21 5.196 5.203 1.243 132 HD11 LEU 21 HD11 LEU 21 7.269 6.404 0.847 133 HD12 LEU 21 HD12 LEU 21 6.282 6.346 -0.611 134 HD13 LEU 21 HD13 LEU 21 7.685 5.287 -0.453 135 HD21 LEU 21 HD21 LEU 21 6.132 3.246 -0.838 136 HD22 LEU 21 HD22 LEU 21 4.824 4.409 -1.043 137 HD23 LEU 21 HD23 LEU 21 4.678 3.119 0.147 138 H GLY 22 HN GLY 22 8.891 2.657 2.768 139 HA2 GLY 22 HA2 GLY 22 9.938 1.261 4.279 140 HA3 GLY 22 HA1 GLY 22 8.909 1.908 5.561 141 H HIS 23 HN HIS 23 8.213 -0.038 6.327 142 HA HIS 23 HA HIS 23 7.095 -1.986 4.541 143 HB2 HIS 23 HB2 HIS 23 8.240 -2.641 6.656 144 HB3 HIS 23 HB1 HIS 23 6.941 -1.872 7.563 145 HD1 HIS 23 HD1 HIS 23 5.025 -3.414 8.179 146 HD2 HIS 23 HD2 HIS 23 7.252 -4.817 4.960 147 HE1 HIS 23 HE1 HIS 23 4.080 -5.664 7.600 148 H GLN 24 HN GLN 24 5.336 -1.494 3.549 149 HA GLN 24 HA GLN 24 3.184 -0.048 4.902 150 HB2 GLN 24 HB2 GLN 24 3.404 -1.035 2.045 151 HB3 GLN 24 HB1 GLN 24 2.150 0.020 2.670 152 HG2 GLN 24 HG2 GLN 24 5.076 0.696 2.435 153 HG3 GLN 24 HG1 GLN 24 3.789 1.233 1.358 154 HE21 GLN 24 1HE2 GLN 24 2.376 2.813 2.056 155 HE22 GLN 24 2HE2 GLN 24 2.704 3.795 3.421 156 H CYS 25 HN CYS 25 1.494 -1.195 5.697 157 HA CYS 25 HA CYS 25 1.103 -3.924 4.737 158 HB2 CYS 25 HB2 CYS 25 2.591 -4.014 6.733 159 HB3 CYS 25 HB1 CYS 25 1.350 -3.186 7.657 160 H PHE 26 HN PHE 26 -0.822 -3.801 3.944 161 HA PHE 26 HA PHE 26 -2.891 -2.397 5.486 162 HB2 PHE 26 HB2 PHE 26 -2.786 -2.904 2.502 163 HB3 PHE 26 HB1 PHE 26 -4.112 -2.123 3.351 164 HD1 PHE 26 HD1 PHE 26 -0.870 -1.685 1.834 165 HD2 PHE 26 HD2 PHE 26 -3.694 0.061 4.482 166 HE1 PHE 26 HE1 PHE 26 0.236 0.483 1.570 167 HE2 PHE 26 HE2 PHE 26 -2.588 2.245 4.223 168 HZ PHE 26 HZ PHE 26 -0.616 2.448 2.759 169 HA PRO 27 HA PRO 27 -4.336 -6.680 6.031 170 HB2 PRO 27 HB2 PRO 27 -6.305 -5.217 7.709 171 HB3 PRO 27 HB1 PRO 27 -5.283 -6.593 8.135 172 HG2 PRO 27 HG2 PRO 27 -4.740 -4.168 9.084 173 HG3 PRO 27 HG1 PRO 27 -3.437 -5.257 8.575 174 HD2 PRO 27 HD2 PRO 27 -4.611 -2.911 7.135 175 HD3 PRO 27 HD1 PRO 27 -2.912 -3.410 7.294 176 H ASP 28 HN ASP 28 -6.298 -3.787 5.493 177 HA ASP 28 HA ASP 28 -8.073 -5.384 3.791 178 HB2 ASP 28 HB2 ASP 28 -9.294 -4.578 5.789 179 HB3 ASP 28 HB1 ASP 28 -8.803 -2.930 5.428 Start of MODEL 14 1 H1 GLY 1 HN GLY 1 -6.316 -3.557 2.338 2 HA2 GLY 1 HA2 GLY 1 -5.209 -2.922 0.363 3 HA3 GLY 1 HA1 GLY 1 -6.395 -3.847 -0.559 4 H PHE 2 HN PHE 2 -6.168 -1.610 -1.697 5 HA PHE 2 HA PHE 2 -8.618 -0.250 -1.263 6 HB2 PHE 2 HB2 PHE 2 -7.795 1.961 -0.694 7 HB3 PHE 2 HB1 PHE 2 -7.178 0.849 0.517 8 HD1 PHE 2 HD1 PHE 2 -6.362 3.250 -2.052 9 HD2 PHE 2 HD2 PHE 2 -4.751 0.172 0.410 10 HE1 PHE 2 HE1 PHE 2 -4.099 4.075 -2.512 11 HE2 PHE 2 HE2 PHE 2 -2.489 0.998 -0.048 12 HZ PHE 2 HZ PHE 2 -2.160 2.951 -1.516 13 H CYS 3 HN CYS 3 -8.640 1.694 -2.874 14 HA CYS 3 HA CYS 3 -6.641 1.420 -4.922 15 HB2 CYS 3 HB2 CYS 3 -8.509 -0.116 -5.589 16 HB3 CYS 3 HB1 CYS 3 -9.596 1.271 -5.587 17 H TRP 4 HN TRP 4 -6.144 3.296 -5.829 18 HA TRP 4 HA TRP 4 -7.840 5.630 -5.278 19 HB2 TRP 4 HB2 TRP 4 -6.080 5.674 -3.627 20 HB3 TRP 4 HB1 TRP 4 -4.863 5.410 -4.868 21 HD1 TRP 4 HD1 TRP 4 -4.097 7.384 -6.248 22 HE1 TRP 4 HE1 TRP 4 -4.443 9.987 -6.119 23 HE3 TRP 4 3HE TRP 4 -7.943 7.502 -2.955 24 HZ2 TRP 4 HZ2 TRP 4 -6.128 11.767 -4.780 25 HZ3 TRP 4 HZ3 TRP 4 -8.892 9.698 -2.316 26 HH2 TRP 4 2HH TRP 4 -7.999 11.759 -3.210 27 H HIS 5 HN HIS 5 -8.551 6.119 -7.132 28 HA HIS 5 HA HIS 5 -8.711 6.725 -9.293 29 HB2 HIS 5 HB2 HIS 5 -5.981 7.922 -8.716 30 HB3 HIS 5 HB1 HIS 5 -6.958 8.317 -10.120 31 HD1 HIS 5 HD1 HIS 5 -6.450 10.775 -8.754 32 HD2 HIS 5 HD2 HIS 5 -9.359 8.226 -7.245 33 HE1 HIS 5 HE1 HIS 5 -7.888 12.156 -7.196 34 H HIS 6 HN HIS 6 -8.436 4.328 -9.456 35 HA HIS 6 HA HIS 6 -8.024 2.584 -10.759 36 HB2 HIS 6 HB2 HIS 6 -6.306 4.415 -12.456 37 HB3 HIS 6 HB1 HIS 6 -6.773 2.781 -12.890 38 HD1 HIS 6 HD1 HIS 6 -7.616 6.010 -13.831 39 HD2 HIS 6 HD2 HIS 6 -9.904 2.749 -12.661 40 HE1 HIS 6 HE1 HIS 6 -9.913 6.420 -14.761 41 H SER 7 HN SER 7 -5.671 3.967 -8.882 42 HA SER 7 HA SER 7 -3.771 1.858 -9.470 43 HB2 SER 7 HB2 SER 7 -2.914 4.189 -9.010 44 HB3 SER 7 HB1 SER 7 -3.587 4.068 -7.389 45 HG SER 7 HG SER 7 -1.977 2.851 -6.800 46 H CYS 8 HN CYS 8 -4.714 0.026 -8.760 47 HA CYS 8 HA CYS 8 -5.937 0.082 -6.126 48 HB2 CYS 8 HB2 CYS 8 -6.127 -2.053 -8.249 49 HB3 CYS 8 HB1 CYS 8 -7.002 -1.995 -6.728 50 H VAL 9 HN VAL 9 -5.105 -0.916 -4.475 51 HA VAL 9 HA VAL 9 -2.780 -2.658 -4.857 52 HB VAL 9 HB VAL 9 -3.600 -1.062 -2.398 53 HG11 VAL 9 HG11 VAL 9 -1.378 -1.637 -1.528 54 HG12 VAL 9 HG12 VAL 9 -1.082 -2.621 -2.963 55 HG13 VAL 9 3HG1 VAL 9 -2.358 -3.072 -1.835 56 HG21 VAL 9 HG21 VAL 9 -1.670 0.389 -2.883 57 HG22 VAL 9 HG22 VAL 9 -2.882 0.449 -4.162 58 HG23 VAL 9 HG23 VAL 9 -1.408 -0.487 -4.392 59 HA PRO 10 HA PRO 10 -6.022 -5.499 -3.611 60 HB2 PRO 10 HB2 PRO 10 -4.646 -7.791 -3.949 61 HB3 PRO 10 HB1 PRO 10 -5.267 -6.848 -5.308 62 HG2 PRO 10 HG2 PRO 10 -2.504 -6.932 -4.171 63 HG3 PRO 10 HG1 PRO 10 -3.014 -6.934 -5.869 64 HD2 PRO 10 HD2 PRO 10 -2.132 -4.704 -4.587 65 HD3 PRO 10 HD1 PRO 10 -3.313 -4.651 -5.911 66 H SER 11 HN SER 11 -6.355 -7.237 -2.049 67 HA SER 11 HA SER 11 -5.260 -6.633 0.471 68 HB2 SER 11 HB2 SER 11 -6.713 -8.781 0.934 69 HB3 SER 11 HB1 SER 11 -7.473 -7.233 0.552 70 HG SER 11 HG SER 11 -7.320 -9.560 -0.951 71 H GLY 12 HN GLY 12 -3.673 -7.657 1.581 72 HA2 GLY 12 HA2 GLY 12 -2.526 -9.642 2.210 73 HA3 GLY 12 HA1 GLY 12 -2.715 -10.230 0.560 74 H THR 13 HN THR 13 -2.040 -7.031 0.440 75 HA THR 13 HA THR 13 0.563 -7.528 -0.595 76 HB THR 13 HB THR 13 -0.940 -4.927 -0.233 77 HG1 THR 13 HG1 THR 13 -2.021 -5.859 -1.790 78 HG21 THR 13 HG21 THR 13 0.663 -3.992 -1.864 79 HG22 THR 13 HG22 THR 13 1.551 -5.515 -1.865 80 HG23 THR 13 HG23 THR 13 1.489 -4.533 -0.403 81 H CYS 14 HN CYS 14 1.826 -8.177 1.083 82 HA CYS 14 HA CYS 14 2.668 -6.040 2.926 83 HB2 CYS 14 HB2 CYS 14 3.162 -9.033 3.033 84 HB3 CYS 14 HB1 CYS 14 4.002 -7.883 4.061 85 H ALA 15 HN ALA 15 4.133 -4.867 1.936 86 HA ALA 15 HA ALA 15 6.282 -6.263 0.528 87 HB1 ALA 15 HB1 ALA 15 4.626 -5.628 -1.173 88 HB2 ALA 15 HB2 ALA 15 6.142 -4.750 -1.368 89 HB3 ALA 15 HB3 ALA 15 4.747 -3.949 -0.650 90 H ASP 16 HN ASP 16 8.054 -4.744 -0.007 91 HA ASP 16 HA ASP 16 8.627 -3.022 2.194 92 HB2 ASP 16 HB2 ASP 16 10.801 -2.684 1.050 93 HB3 ASP 16 HB1 ASP 16 10.424 -4.392 1.232 94 H PHE 17 HN PHE 17 8.700 -0.875 2.149 95 HA PHE 17 HA PHE 17 7.812 0.534 -0.260 96 HB2 PHE 17 HB2 PHE 17 6.597 0.675 2.503 97 HB3 PHE 17 HB1 PHE 17 6.434 1.997 1.361 98 HD1 PHE 17 HD1 PHE 17 5.675 -1.621 1.832 99 HD2 PHE 17 HD2 PHE 17 4.726 1.978 -0.208 100 HE1 PHE 17 HE1 PHE 17 3.666 -2.681 0.908 101 HE2 PHE 17 HE2 PHE 17 2.726 0.927 -1.138 102 HZ PHE 17 HZ PHE 17 2.188 -1.409 -0.594 103 HA PRO 18 HA PRO 18 11.051 3.314 0.948 104 HB2 PRO 18 HB2 PRO 18 10.073 5.683 0.023 105 HB3 PRO 18 HB1 PRO 18 10.758 4.450 -1.045 106 HG2 PRO 18 HG2 PRO 18 7.901 5.037 -0.392 107 HG3 PRO 18 HG1 PRO 18 8.634 4.690 -1.969 108 HD2 PRO 18 HD2 PRO 18 7.295 2.807 -0.596 109 HD3 PRO 18 HD1 PRO 18 8.727 2.409 -1.565 110 H TRP 19 HN TRP 19 11.158 5.692 1.902 111 HA TRP 19 HA TRP 19 10.139 5.730 4.524 112 HB2 TRP 19 HB2 TRP 19 12.185 6.918 3.647 113 HB3 TRP 19 HB1 TRP 19 11.117 8.036 2.816 114 HD1 TRP 19 HD1 TRP 19 9.551 9.524 4.436 115 HE1 TRP 19 HE1 TRP 19 10.065 10.571 6.737 116 HE3 TRP 19 3HE TRP 19 13.463 6.570 5.727 117 HZ2 TRP 19 HZ2 TRP 19 11.953 10.163 8.840 118 HZ3 TRP 19 HZ3 TRP 19 14.582 6.940 7.884 119 HH2 TRP 19 2HH TRP 19 13.835 8.706 9.408 120 HA PRO 20 HA PRO 20 9.301 6.550 6.070 121 HB2 PRO 20 HB2 PRO 20 7.347 7.264 7.677 122 HB3 PRO 20 HB1 PRO 20 8.256 8.488 6.781 123 HG2 PRO 20 HG2 PRO 20 5.486 7.520 6.368 124 HG3 PRO 20 HG1 PRO 20 6.197 9.087 5.957 125 HD2 PRO 20 HD2 PRO 20 5.816 6.785 4.249 126 HD3 PRO 20 HD1 PRO 20 6.474 8.373 3.812 127 H LEU 21 HN LEU 21 7.649 4.570 4.359 128 HA LEU 21 HA LEU 21 6.159 3.231 6.458 129 HB2 LEU 21 HB2 LEU 21 6.332 2.688 3.512 130 HB3 LEU 21 HB1 LEU 21 5.469 1.650 4.628 131 HG LEU 21 HG LEU 21 4.817 4.550 4.070 132 HD11 LEU 21 HD11 LEU 21 2.822 3.657 2.982 133 HD12 LEU 21 HD12 LEU 21 3.406 2.016 3.253 134 HD13 LEU 21 HD13 LEU 21 4.294 3.102 2.186 135 HD21 LEU 21 HD21 LEU 21 3.428 2.487 5.787 136 HD22 LEU 21 HD22 LEU 21 2.767 4.060 5.365 137 HD23 LEU 21 HD23 LEU 21 4.223 3.962 6.350 138 H GLY 22 HN GLY 22 8.662 2.203 4.074 139 HA2 GLY 22 HA2 GLY 22 10.483 0.858 4.542 140 HA3 GLY 22 HA1 GLY 22 9.864 0.584 6.171 141 H HIS 23 HN HIS 23 7.648 -0.531 6.081 142 HA HIS 23 HA HIS 23 7.331 -2.487 3.973 143 HB2 HIS 23 HB2 HIS 23 8.746 -3.618 5.706 144 HB3 HIS 23 HB1 HIS 23 7.562 -3.189 6.932 145 HD1 HIS 23 HD1 HIS 23 5.563 -4.779 7.211 146 HD2 HIS 23 HD2 HIS 23 7.874 -5.609 3.866 147 HE1 HIS 23 HE1 HIS 23 4.724 -6.972 6.326 148 H GLN 24 HN GLN 24 5.136 -2.958 3.772 149 HA GLN 24 HA GLN 24 3.336 -1.966 5.812 150 HB2 GLN 24 HB2 GLN 24 3.710 -0.003 4.394 151 HB3 GLN 24 HB1 GLN 24 3.261 -0.925 2.973 152 HG2 GLN 24 HG2 GLN 24 1.437 0.492 3.579 153 HG3 GLN 24 HG1 GLN 24 0.984 -1.173 3.913 154 HE21 GLN 24 1HE2 GLN 24 -0.071 1.307 4.967 155 HE22 GLN 24 2HE2 GLN 24 0.113 1.236 6.679 156 H CYS 25 HN CYS 25 1.481 -3.057 5.900 157 HA CYS 25 HA CYS 25 0.968 -5.087 3.871 158 HB2 CYS 25 HB2 CYS 25 0.517 -5.104 6.848 159 HB3 CYS 25 HB1 CYS 25 -0.220 -6.274 5.767 160 H PHE 26 HN PHE 26 -1.122 -5.397 3.241 161 HA PHE 26 HA PHE 26 -3.142 -3.547 4.251 162 HB2 PHE 26 HB2 PHE 26 -2.607 -4.127 1.319 163 HB3 PHE 26 HB1 PHE 26 -4.008 -3.269 1.938 164 HD1 PHE 26 HD1 PHE 26 -0.539 -3.028 0.974 165 HD2 PHE 26 HD2 PHE 26 -3.698 -1.040 3.016 166 HE1 PHE 26 HE1 PHE 26 0.681 -0.900 0.793 167 HE2 PHE 26 HE2 PHE 26 -2.484 1.085 2.842 168 HZ PHE 26 HZ PHE 26 -0.287 1.158 1.721 169 HA PRO 27 HA PRO 27 -4.776 -7.856 4.509 170 HB2 PRO 27 HB2 PRO 27 -6.602 -6.447 6.378 171 HB3 PRO 27 HB1 PRO 27 -5.688 -7.939 6.619 172 HG2 PRO 27 HG2 PRO 27 -4.927 -5.690 7.813 173 HG3 PRO 27 HG1 PRO 27 -3.726 -6.807 7.142 174 HD2 PRO 27 HD2 PRO 27 -4.748 -4.228 6.013 175 HD3 PRO 27 HD1 PRO 27 -3.092 -4.867 6.055 176 H ASP 28 HN ASP 28 -6.351 -4.811 3.944 177 HA ASP 28 HA ASP 28 -8.565 -6.229 2.602 178 HB2 ASP 28 HB2 ASP 28 -8.514 -3.411 3.702 179 HB3 ASP 28 HB1 ASP 28 -9.815 -4.054 2.714 Start of MODEL 15 1 H1 GLY 1 HN GLY 1 -7.210 -5.967 0.514 2 HA2 GLY 1 HA2 GLY 1 -5.706 -3.583 -0.013 3 HA3 GLY 1 HA1 GLY 1 -6.446 -4.645 -1.201 4 H PHE 2 HN PHE 2 -6.652 -2.157 -1.842 5 HA PHE 2 HA PHE 2 -9.419 -1.518 -1.407 6 HB2 PHE 2 HB2 PHE 2 -8.951 0.834 -0.767 7 HB3 PHE 2 HB1 PHE 2 -8.432 -0.322 0.445 8 HD1 PHE 2 HD1 PHE 2 -7.373 2.239 -1.926 9 HD2 PHE 2 HD2 PHE 2 -6.032 -0.703 0.849 10 HE1 PHE 2 HE1 PHE 2 -5.157 3.285 -1.891 11 HE2 PHE 2 HE2 PHE 2 -3.806 0.344 0.880 12 HZ PHE 2 HZ PHE 2 -3.371 2.345 -0.491 13 H CYS 3 HN CYS 3 -10.213 0.028 -2.910 14 HA CYS 3 HA CYS 3 -8.432 0.574 -5.168 15 HB2 CYS 3 HB2 CYS 3 -11.395 -0.041 -5.193 16 HB3 CYS 3 HB1 CYS 3 -10.477 0.518 -6.583 17 H TRP 4 HN TRP 4 -8.139 2.675 -5.498 18 HA TRP 4 HA TRP 4 -10.330 4.475 -5.189 19 HB2 TRP 4 HB2 TRP 4 -9.466 5.864 -3.488 20 HB3 TRP 4 HB1 TRP 4 -9.171 4.243 -2.886 21 HD1 TRP 4 HD1 TRP 4 -6.301 3.811 -4.423 22 HE1 TRP 4 HE1 TRP 4 -4.251 5.171 -3.587 23 HE3 TRP 4 3HE TRP 4 -8.743 7.481 -1.865 24 HZ2 TRP 4 HZ2 TRP 4 -3.779 7.473 -2.037 25 HZ3 TRP 4 HZ3 TRP 4 -7.434 9.203 -0.719 26 HH2 TRP 4 2HH TRP 4 -4.998 9.192 -0.801 27 H HIS 5 HN HIS 5 -9.918 6.426 -6.394 28 HA HIS 5 HA HIS 5 -9.015 7.639 -8.136 29 HB2 HIS 5 HB2 HIS 5 -6.441 6.537 -6.971 30 HB3 HIS 5 HB1 HIS 5 -6.458 7.640 -8.332 31 HD1 HIS 5 HD1 HIS 5 -5.530 9.739 -7.369 32 HD2 HIS 5 HD2 HIS 5 -8.388 8.024 -4.900 33 HE1 HIS 5 HE1 HIS 5 -5.814 11.334 -5.430 34 H HIS 6 HN HIS 6 -9.791 4.783 -8.469 35 HA HIS 6 HA HIS 6 -9.860 3.138 -9.990 36 HB2 HIS 6 HB2 HIS 6 -8.399 5.131 -11.743 37 HB3 HIS 6 HB1 HIS 6 -8.860 3.535 -12.312 38 HD1 HIS 6 HD1 HIS 6 -11.309 3.193 -12.972 39 HD2 HIS 6 HD2 HIS 6 -10.521 6.903 -11.289 40 HE1 HIS 6 HE1 HIS 6 -13.383 4.577 -13.371 41 H SER 7 HN SER 7 -7.520 3.578 -8.126 42 HA SER 7 HA SER 7 -5.688 1.735 -9.442 43 HB2 SER 7 HB2 SER 7 -4.772 3.985 -8.813 44 HB3 SER 7 HB1 SER 7 -5.165 3.630 -7.135 45 HG SER 7 HG SER 7 -3.176 2.610 -8.778 46 H CYS 8 HN CYS 8 -5.910 -0.249 -8.700 47 HA CYS 8 HA CYS 8 -7.014 -0.650 -6.028 48 HB2 CYS 8 HB2 CYS 8 -6.953 -2.469 -8.423 49 HB3 CYS 8 HB1 CYS 8 -7.461 -2.983 -6.821 50 H VAL 9 HN VAL 9 -5.919 -1.566 -4.534 51 HA VAL 9 HA VAL 9 -3.344 -2.836 -5.157 52 HB VAL 9 HB VAL 9 -4.308 -1.656 -2.518 53 HG11 VAL 9 HG11 VAL 9 -2.724 -3.472 -2.208 54 HG12 VAL 9 HG12 VAL 9 -1.988 -1.930 -1.770 55 HG13 VAL 9 3HG1 VAL 9 -1.588 -2.693 -3.309 56 HG21 VAL 9 HG21 VAL 9 -3.920 0.130 -4.132 57 HG22 VAL 9 HG22 VAL 9 -2.317 -0.514 -4.483 58 HG23 VAL 9 HG23 VAL 9 -2.671 0.147 -2.887 59 HA PRO 10 HA PRO 10 -6.036 -6.348 -4.024 60 HB2 PRO 10 HB2 PRO 10 -3.615 -7.933 -4.564 61 HB3 PRO 10 HB1 PRO 10 -5.207 -8.041 -5.316 62 HG2 PRO 10 HG2 PRO 10 -3.086 -7.058 -6.632 63 HG3 PRO 10 HG1 PRO 10 -4.722 -6.428 -6.885 64 HD2 PRO 10 HD2 PRO 10 -2.468 -5.270 -5.288 65 HD3 PRO 10 HD1 PRO 10 -3.654 -4.459 -6.337 66 H SER 11 HN SER 11 -6.167 -7.727 -2.254 67 HA SER 11 HA SER 11 -4.573 -7.150 0.005 68 HB2 SER 11 HB2 SER 11 -6.448 -9.480 -0.464 69 HB3 SER 11 HB1 SER 11 -5.950 -8.813 1.095 70 HG SER 11 HG SER 11 -7.856 -7.986 -0.666 71 H GLY 12 HN GLY 12 -2.634 -8.044 0.524 72 HA2 GLY 12 HA2 GLY 12 -1.366 -10.109 0.762 73 HA3 GLY 12 HA1 GLY 12 -1.856 -10.501 -0.888 74 H THR 13 HN THR 13 -1.599 -7.410 -1.176 75 HA THR 13 HA THR 13 0.963 -7.490 -2.389 76 HB THR 13 HB THR 13 -0.832 -5.110 -1.869 77 HG1 THR 13 HG1 THR 13 -2.038 -6.195 -3.168 78 HG21 THR 13 HG21 THR 13 0.352 -4.091 -3.764 79 HG22 THR 13 HG22 THR 13 1.352 -5.529 -3.928 80 HG23 THR 13 HG23 THR 13 1.497 -4.515 -2.490 81 H CYS 14 HN CYS 14 2.663 -7.528 -1.151 82 HA CYS 14 HA CYS 14 2.890 -5.642 1.053 83 HB2 CYS 14 HB2 CYS 14 4.688 -7.896 0.143 84 HB3 CYS 14 HB1 CYS 14 5.108 -6.775 1.433 85 H ALA 15 HN ALA 15 4.119 -3.851 0.913 86 HA ALA 15 HA ALA 15 5.715 -3.501 -1.487 87 HB1 ALA 15 HB1 ALA 15 4.701 -1.319 -1.912 88 HB2 ALA 15 HB2 ALA 15 3.565 -1.586 -0.591 89 HB3 ALA 15 HB3 ALA 15 3.503 -2.609 -2.026 90 H ASP 16 HN ASP 16 7.400 -2.137 -1.204 91 HA ASP 16 HA ASP 16 8.028 -1.473 1.528 92 HB2 ASP 16 HB2 ASP 16 10.256 -0.854 0.613 93 HB3 ASP 16 HB1 ASP 16 9.799 -2.509 0.232 94 H PHE 17 HN PHE 17 8.260 0.524 2.298 95 HA PHE 17 HA PHE 17 7.864 2.827 0.564 96 HB2 PHE 17 HB2 PHE 17 6.308 2.377 3.138 97 HB3 PHE 17 HB1 PHE 17 6.252 3.839 2.168 98 HD1 PHE 17 HD1 PHE 17 4.999 0.501 2.673 99 HD2 PHE 17 HD2 PHE 17 5.107 3.758 -0.061 100 HE1 PHE 17 HE1 PHE 17 3.066 -0.434 1.482 101 HE2 PHE 17 HE2 PHE 17 3.173 2.820 -1.252 102 HZ PHE 17 HZ PHE 17 2.151 0.711 -0.459 103 HA PRO 18 HA PRO 18 11.635 2.600 3.206 104 HB2 PRO 18 HB2 PRO 18 12.153 4.972 1.470 105 HB3 PRO 18 HB1 PRO 18 13.257 3.688 1.972 106 HG2 PRO 18 HG2 PRO 18 12.197 3.618 -0.451 107 HG3 PRO 18 HG1 PRO 18 12.334 2.133 0.506 108 HD2 PRO 18 HD2 PRO 18 9.930 3.782 -0.095 109 HD3 PRO 18 HD1 PRO 18 10.074 2.025 0.105 110 H TRP 19 HN TRP 19 10.792 5.972 2.383 111 HA TRP 19 HA TRP 19 11.291 6.490 5.165 112 HB2 TRP 19 HB2 TRP 19 12.616 7.818 3.684 113 HB3 TRP 19 HB1 TRP 19 11.190 8.375 2.816 114 HD1 TRP 19 HD1 TRP 19 12.450 8.547 6.499 115 HE1 TRP 19 HE1 TRP 19 11.907 10.894 7.407 116 HE3 TRP 19 3HE TRP 19 10.171 10.484 2.369 117 HZ2 TRP 19 HZ2 TRP 19 10.674 13.267 6.472 118 HZ3 TRP 19 HZ3 TRP 19 9.343 12.797 2.448 119 HH2 TRP 19 2HH TRP 19 9.592 14.155 4.461 120 HA PRO 20 HA PRO 20 10.685 6.392 6.844 121 HB2 PRO 20 HB2 PRO 20 9.332 7.175 9.022 122 HB3 PRO 20 HB1 PRO 20 10.186 8.348 8.017 123 HG2 PRO 20 HG2 PRO 20 7.319 8.070 8.422 124 HG3 PRO 20 HG1 PRO 20 8.192 9.340 7.553 125 HD2 PRO 20 HD2 PRO 20 6.905 6.884 6.512 126 HD3 PRO 20 HD1 PRO 20 7.248 8.409 5.669 127 H LEU 21 HN LEU 21 8.659 4.644 5.573 128 HA LEU 21 HA LEU 21 7.282 3.457 7.900 129 HB2 LEU 21 HB2 LEU 21 6.660 3.115 4.982 130 HB3 LEU 21 HB1 LEU 21 5.738 2.424 6.298 131 HG LEU 21 HG LEU 21 5.993 5.352 5.610 132 HD11 LEU 21 HD11 LEU 21 4.573 4.148 4.085 133 HD12 LEU 21 HD12 LEU 21 3.608 5.199 5.122 134 HD13 LEU 21 HD13 LEU 21 3.665 3.464 5.433 135 HD21 LEU 21 HD21 LEU 21 4.433 4.040 7.843 136 HD22 LEU 21 HD22 LEU 21 4.336 5.738 7.385 137 HD23 LEU 21 HD23 LEU 21 5.839 5.088 8.034 138 H GLY 22 HN GLY 22 9.577 2.775 5.444 139 HA2 GLY 22 HA2 GLY 22 11.085 1.028 5.394 140 HA3 GLY 22 HA1 GLY 22 10.196 0.261 6.708 141 H HIS 23 HN HIS 23 8.239 -0.828 6.215 142 HA HIS 23 HA HIS 23 7.719 -1.563 3.456 143 HB2 HIS 23 HB2 HIS 23 9.557 -3.083 4.213 144 HB3 HIS 23 HB1 HIS 23 8.536 -3.619 5.537 145 HD1 HIS 23 HD1 HIS 23 6.919 -5.534 5.027 146 HD2 HIS 23 HD2 HIS 23 8.654 -3.886 1.629 147 HE1 HIS 23 HE1 HIS 23 6.302 -7.052 3.143 148 H GLN 24 HN GLN 24 5.593 -2.521 3.238 149 HA GLN 24 HA GLN 24 4.014 -2.773 5.680 150 HB2 GLN 24 HB2 GLN 24 3.920 -0.356 4.694 151 HB3 GLN 24 HB1 GLN 24 3.087 -1.114 3.368 152 HG2 GLN 24 HG2 GLN 24 1.321 -1.879 4.807 153 HG3 GLN 24 HG1 GLN 24 2.141 -1.198 6.210 154 HE21 GLN 24 1HE2 GLN 24 -0.461 -0.598 5.219 155 HE22 GLN 24 2HE2 GLN 24 -0.486 1.087 4.833 156 H CYS 25 HN CYS 25 2.318 -4.238 5.409 157 HA CYS 25 HA CYS 25 1.946 -5.347 2.728 158 HB2 CYS 25 HB2 CYS 25 1.947 -6.779 5.389 159 HB3 CYS 25 HB1 CYS 25 1.318 -7.489 3.910 160 H PHE 26 HN PHE 26 -0.101 -5.535 2.023 161 HA PHE 26 HA PHE 26 -2.120 -4.374 3.781 162 HB2 PHE 26 HB2 PHE 26 -2.125 -4.728 0.774 163 HB3 PHE 26 HB1 PHE 26 -3.391 -3.943 1.709 164 HD1 PHE 26 HD1 PHE 26 -0.038 -3.628 0.319 165 HD2 PHE 26 HD2 PHE 26 -3.007 -1.760 2.723 166 HE1 PHE 26 HE1 PHE 26 1.161 -1.497 0.129 167 HE2 PHE 26 HE2 PHE 26 -1.809 0.378 2.537 168 HZ PHE 26 HZ PHE 26 0.277 0.513 1.246 169 HA PRO 27 HA PRO 27 -3.655 -8.665 3.866 170 HB2 PRO 27 HB2 PRO 27 -5.178 -8.366 6.092 171 HB3 PRO 27 HB1 PRO 27 -3.434 -8.625 6.185 172 HG2 PRO 27 HG2 PRO 27 -4.990 -6.088 6.443 173 HG3 PRO 27 HG1 PRO 27 -3.581 -6.636 7.366 174 HD2 PRO 27 HD2 PRO 27 -3.454 -4.832 5.322 175 HD3 PRO 27 HD1 PRO 27 -2.102 -5.888 5.777 176 H ASP 28 HN ASP 28 -5.172 -5.624 3.843 177 HA ASP 28 HA ASP 28 -7.483 -6.709 2.443 178 HB2 ASP 28 HB2 ASP 28 -8.244 -6.195 4.728 179 HB3 ASP 28 HB1 ASP 28 -7.582 -4.568 4.590 Start of MODEL 16 1 H1 GLY 1 HN GLY 1 -6.784 -6.670 0.150 2 HA2 GLY 1 HA2 GLY 1 -5.695 -3.992 -0.201 3 HA3 GLY 1 HA1 GLY 1 -5.897 -5.202 -1.462 4 H PHE 2 HN PHE 2 -6.693 -3.060 -2.413 5 HA PHE 2 HA PHE 2 -9.483 -3.137 -2.661 6 HB2 PHE 2 HB2 PHE 2 -9.934 -0.807 -1.832 7 HB3 PHE 2 HB1 PHE 2 -9.517 -1.923 -0.542 8 HD1 PHE 2 HD1 PHE 2 -8.665 1.142 -2.229 9 HD2 PHE 2 HD2 PHE 2 -7.201 -1.814 0.457 10 HE1 PHE 2 HE1 PHE 2 -6.902 2.677 -1.481 11 HE2 PHE 2 HE2 PHE 2 -5.439 -0.273 1.195 12 HZ PHE 2 HZ PHE 2 -5.296 1.978 0.224 13 H CYS 3 HN CYS 3 -10.147 -1.384 -4.226 14 HA CYS 3 HA CYS 3 -7.865 -0.794 -5.957 15 HB2 CYS 3 HB2 CYS 3 -10.772 -1.260 -6.645 16 HB3 CYS 3 HB1 CYS 3 -9.546 -0.788 -7.808 17 H TRP 4 HN TRP 4 -7.312 1.273 -6.151 18 HA TRP 4 HA TRP 4 -9.317 3.332 -6.177 19 HB2 TRP 4 HB2 TRP 4 -8.582 4.563 -4.280 20 HB3 TRP 4 HB1 TRP 4 -8.712 2.888 -3.755 21 HD1 TRP 4 HD1 TRP 4 -5.758 1.911 -4.738 22 HE1 TRP 4 HE1 TRP 4 -3.701 2.715 -3.451 23 HE3 TRP 4 3HE TRP 4 -7.808 5.996 -2.447 24 HZ2 TRP 4 HZ2 TRP 4 -3.030 4.833 -1.678 25 HZ3 TRP 4 HZ3 TRP 4 -6.393 7.347 -0.961 26 HH2 TRP 4 2HH TRP 4 -4.051 6.768 -0.586 27 H HIS 5 HN HIS 5 -8.332 5.408 -6.852 28 HA HIS 5 HA HIS 5 -6.980 6.670 -8.208 29 HB2 HIS 5 HB2 HIS 5 -4.903 4.958 -6.839 30 HB3 HIS 5 HB1 HIS 5 -4.428 6.122 -8.057 31 HD1 HIS 5 HD1 HIS 5 -3.241 7.856 -6.608 32 HD2 HIS 5 HD2 HIS 5 -6.946 6.743 -5.089 33 HE1 HIS 5 HE1 HIS 5 -3.694 9.399 -4.697 34 H HIS 6 HN HIS 6 -8.144 4.118 -9.150 35 HA HIS 6 HA HIS 6 -8.184 2.713 -10.873 36 HB2 HIS 6 HB2 HIS 6 -6.389 4.812 -12.102 37 HB3 HIS 6 HB1 HIS 6 -6.936 3.396 -12.997 38 HD1 HIS 6 HD1 HIS 6 -9.424 3.327 -13.682 39 HD2 HIS 6 HD2 HIS 6 -8.321 6.739 -11.602 40 HE1 HIS 6 HE1 HIS 6 -11.364 4.934 -13.901 41 H SER 7 HN SER 7 -6.370 2.235 -8.757 42 HA SER 7 HA SER 7 -4.694 0.336 -10.135 43 HB2 SER 7 HB2 SER 7 -2.844 0.845 -8.439 44 HB3 SER 7 HB1 SER 7 -3.088 2.045 -9.705 45 HG SER 7 HG SER 7 -4.642 2.589 -7.562 46 H CYS 8 HN CYS 8 -5.121 -1.607 -9.416 47 HA CYS 8 HA CYS 8 -6.552 -1.874 -6.944 48 HB2 CYS 8 HB2 CYS 8 -5.969 -3.787 -9.177 49 HB3 CYS 8 HB1 CYS 8 -6.644 -4.327 -7.642 50 H VAL 9 HN VAL 9 -5.695 -2.212 -5.133 51 HA VAL 9 HA VAL 9 -2.972 -3.172 -4.880 52 HB VAL 9 HB VAL 9 -4.967 -2.187 -2.801 53 HG11 VAL 9 HG11 VAL 9 -3.278 -3.625 -1.814 54 HG12 VAL 9 HG12 VAL 9 -3.044 -1.952 -1.310 55 HG13 VAL 9 3HG1 VAL 9 -2.003 -2.653 -2.548 56 HG21 VAL 9 HG21 VAL 9 -3.670 -0.101 -2.781 57 HG22 VAL 9 HG22 VAL 9 -4.396 -0.410 -4.359 58 HG23 VAL 9 HG23 VAL 9 -2.678 -0.715 -4.104 59 HA PRO 10 HA PRO 10 -4.958 -7.139 -4.129 60 HB2 PRO 10 HB2 PRO 10 -2.688 -8.637 -4.103 61 HB3 PRO 10 HB1 PRO 10 -3.472 -8.094 -5.588 62 HG2 PRO 10 HG2 PRO 10 -1.032 -7.065 -4.250 63 HG3 PRO 10 HG1 PRO 10 -1.436 -7.113 -5.968 64 HD2 PRO 10 HD2 PRO 10 -1.598 -4.869 -4.326 65 HD3 PRO 10 HD1 PRO 10 -2.392 -5.059 -5.899 66 H SER 11 HN SER 11 -5.330 -8.396 -2.367 67 HA SER 11 HA SER 11 -4.534 -7.480 0.191 68 HB2 SER 11 HB2 SER 11 -5.903 -10.056 -0.615 69 HB3 SER 11 HB1 SER 11 -5.888 -9.331 0.995 70 HG SER 11 HG SER 11 -7.790 -8.828 -0.055 71 H GLY 12 HN GLY 12 -2.479 -7.865 0.998 72 HA2 GLY 12 HA2 GLY 12 -1.199 -9.685 1.937 73 HA3 GLY 12 HA1 GLY 12 -1.347 -10.477 0.368 74 H THR 13 HN THR 13 -1.120 -7.310 -0.370 75 HA THR 13 HA THR 13 1.657 -7.692 -0.893 76 HB THR 13 HB THR 13 0.191 -6.743 -2.693 77 HG1 THR 13 HG1 THR 13 2.075 -6.173 -3.253 78 HG21 THR 13 HG21 THR 13 0.176 -4.266 -0.966 79 HG22 THR 13 HG22 THR 13 -1.233 -5.255 -1.360 80 HG23 THR 13 HG23 THR 13 -0.401 -4.351 -2.627 81 H CYS 14 HN CYS 14 3.058 -7.242 0.457 82 HA CYS 14 HA CYS 14 2.766 -4.883 2.173 83 HB2 CYS 14 HB2 CYS 14 3.957 -7.530 3.030 84 HB3 CYS 14 HB1 CYS 14 3.674 -6.119 4.047 85 H ALA 15 HN ALA 15 4.430 -3.527 1.995 86 HA ALA 15 HA ALA 15 7.006 -4.544 1.136 87 HB1 ALA 15 HB1 ALA 15 5.494 -2.436 -0.398 88 HB2 ALA 15 HB2 ALA 15 5.817 -4.083 -0.937 89 HB3 ALA 15 HB3 ALA 15 7.153 -2.954 -0.705 90 H ASP 16 HN ASP 16 8.556 -2.622 1.009 91 HA ASP 16 HA ASP 16 8.194 -1.089 3.416 92 HB2 ASP 16 HB2 ASP 16 10.530 -0.487 3.158 93 HB3 ASP 16 HB1 ASP 16 10.358 -2.228 2.977 94 H PHE 17 HN PHE 17 8.024 1.039 3.463 95 HA PHE 17 HA PHE 17 8.035 2.570 0.979 96 HB2 PHE 17 HB2 PHE 17 5.858 2.583 3.093 97 HB3 PHE 17 HB1 PHE 17 6.041 3.869 1.920 98 HD1 PHE 17 HD1 PHE 17 5.253 0.289 2.348 99 HD2 PHE 17 HD2 PHE 17 5.163 3.634 -0.266 100 HE1 PHE 17 HE1 PHE 17 3.774 -0.949 0.836 101 HE2 PHE 17 HE2 PHE 17 3.683 2.399 -1.794 102 HZ PHE 17 HZ PHE 17 2.981 0.104 -1.237 103 HA PRO 18 HA PRO 18 10.931 3.949 4.252 104 HB2 PRO 18 HB2 PRO 18 11.884 5.553 1.933 105 HB3 PRO 18 HB1 PRO 18 12.802 4.602 3.105 106 HG2 PRO 18 HG2 PRO 18 12.382 3.676 0.646 107 HG3 PRO 18 HG1 PRO 18 12.343 2.596 2.048 108 HD2 PRO 18 HD2 PRO 18 10.088 3.686 0.435 109 HD3 PRO 18 HD1 PRO 18 10.262 2.104 1.215 110 H TRP 19 HN TRP 19 10.115 6.466 1.856 111 HA TRP 19 HA TRP 19 9.897 8.237 4.110 112 HB2 TRP 19 HB2 TRP 19 11.405 8.990 2.405 113 HB3 TRP 19 HB1 TRP 19 10.159 8.840 1.170 114 HD1 TRP 19 HD1 TRP 19 10.814 10.917 4.375 115 HE1 TRP 19 HE1 TRP 19 9.770 13.243 4.054 116 HE3 TRP 19 3HE TRP 19 8.659 10.191 -0.189 117 HZ2 TRP 19 HZ2 TRP 19 8.227 14.601 2.100 118 HZ3 TRP 19 HZ3 TRP 19 7.420 12.038 -1.225 119 HH2 TRP 19 2HH TRP 19 7.208 14.210 -0.097 120 HA PRO 20 HA PRO 20 8.915 8.710 5.525 121 HB2 PRO 20 HB2 PRO 20 6.974 10.183 6.765 122 HB3 PRO 20 HB1 PRO 20 8.171 10.893 5.679 123 HG2 PRO 20 HG2 PRO 20 5.355 10.786 5.280 124 HG3 PRO 20 HG1 PRO 20 6.574 11.338 4.124 125 HD2 PRO 20 HD2 PRO 20 5.293 8.650 4.390 126 HD3 PRO 20 HD1 PRO 20 5.777 9.521 2.913 127 H LEU 21 HN LEU 21 7.449 6.295 4.941 128 HA LEU 21 HA LEU 21 5.646 5.994 7.251 129 HB2 LEU 21 HB2 LEU 21 5.955 4.182 4.858 130 HB3 LEU 21 HB1 LEU 21 4.893 3.845 6.190 131 HG LEU 21 HG LEU 21 3.767 6.100 5.498 132 HD11 LEU 21 HD11 LEU 21 3.909 6.599 3.145 133 HD12 LEU 21 HD12 LEU 21 5.085 5.314 2.919 134 HD13 LEU 21 HD13 LEU 21 5.513 6.727 3.876 135 HD21 LEU 21 HD21 LEU 21 2.699 3.927 5.390 136 HD22 LEU 21 HD22 LEU 21 3.518 3.584 3.865 137 HD23 LEU 21 HD23 LEU 21 2.326 4.882 3.955 138 H GLY 22 HN GLY 22 7.812 3.859 5.508 139 HA2 GLY 22 HA2 GLY 22 9.727 2.942 6.802 140 HA3 GLY 22 HA1 GLY 22 8.523 2.574 8.046 141 H HIS 23 HN HIS 23 6.715 1.213 7.413 142 HA HIS 23 HA HIS 23 7.142 -0.509 5.102 143 HB2 HIS 23 HB2 HIS 23 8.369 -1.588 6.985 144 HB3 HIS 23 HB1 HIS 23 6.902 -1.557 7.948 145 HD1 HIS 23 HD1 HIS 23 5.207 -3.487 7.556 146 HD2 HIS 23 HD2 HIS 23 8.390 -3.457 4.878 147 HE1 HIS 23 HE1 HIS 23 5.092 -5.665 6.336 148 H GLN 24 HN GLN 24 5.180 -1.252 4.274 149 HA GLN 24 HA GLN 24 2.783 -0.730 5.877 150 HB2 GLN 24 HB2 GLN 24 3.179 1.141 4.198 151 HB3 GLN 24 HB1 GLN 24 3.074 -0.068 2.945 152 HG2 GLN 24 HG2 GLN 24 0.992 1.102 3.089 153 HG3 GLN 24 HG1 GLN 24 0.771 -0.567 3.600 154 HE21 GLN 24 1HE2 GLN 24 -1.098 -0.058 4.735 155 HE22 GLN 24 2HE2 GLN 24 -1.057 0.797 6.227 156 H CYS 25 HN CYS 25 1.618 -2.530 5.992 157 HA CYS 25 HA CYS 25 1.867 -4.517 3.856 158 HB2 CYS 25 HB2 CYS 25 2.948 -5.206 5.978 159 HB3 CYS 25 HB1 CYS 25 1.443 -4.926 6.828 160 H PHE 26 HN PHE 26 -0.024 -4.898 2.830 161 HA PHE 26 HA PHE 26 -2.472 -3.918 4.111 162 HB2 PHE 26 HB2 PHE 26 -1.967 -4.548 1.184 163 HB3 PHE 26 HB1 PHE 26 -3.444 -3.902 1.861 164 HD1 PHE 26 HD1 PHE 26 -0.060 -3.146 0.777 165 HD2 PHE 26 HD2 PHE 26 -3.562 -1.570 2.596 166 HE1 PHE 26 HE1 PHE 26 0.740 -0.857 0.326 167 HE2 PHE 26 HE2 PHE 26 -2.772 0.714 2.157 168 HZ PHE 26 HZ PHE 26 -0.617 1.074 1.017 169 HA PRO 27 HA PRO 27 -3.094 -8.463 4.543 170 HB2 PRO 27 HB2 PRO 27 -5.370 -7.405 6.139 171 HB3 PRO 27 HB1 PRO 27 -4.176 -8.626 6.584 172 HG2 PRO 27 HG2 PRO 27 -4.079 -6.191 7.649 173 HG3 PRO 27 HG1 PRO 27 -2.592 -7.047 7.200 174 HD2 PRO 27 HD2 PRO 27 -3.997 -4.822 5.777 175 HD3 PRO 27 HD1 PRO 27 -2.263 -5.103 6.006 176 H ASP 28 HN ASP 28 -5.427 -5.879 3.961 177 HA ASP 28 HA ASP 28 -6.720 -7.545 1.975 178 HB2 ASP 28 HB2 ASP 28 -8.084 -5.672 3.938 179 HB3 ASP 28 HB1 ASP 28 -8.850 -6.283 2.482 Start of MODEL 17 1 H1 GLY 1 HN GLY 1 -4.667 -5.804 2.692 2 HA2 GLY 1 HA2 GLY 1 -3.981 -4.962 0.620 3 HA3 GLY 1 HA1 GLY 1 -5.123 -6.070 -0.126 4 H PHE 2 HN PHE 2 -5.446 -4.142 -1.591 5 HA PHE 2 HA PHE 2 -7.930 -3.008 -0.947 6 HB2 PHE 2 HB2 PHE 2 -7.396 -0.612 -0.872 7 HB3 PHE 2 HB1 PHE 2 -6.614 -1.446 0.456 8 HD1 PHE 2 HD1 PHE 2 -6.127 0.435 -2.641 9 HD2 PHE 2 HD2 PHE 2 -4.172 -1.635 0.522 10 HE1 PHE 2 HE1 PHE 2 -3.996 1.501 -3.259 11 HE2 PHE 2 HE2 PHE 2 -2.051 -0.575 -0.097 12 HZ PHE 2 HZ PHE 2 -1.961 1.001 -1.989 13 H CYS 3 HN CYS 3 -8.586 -1.386 -2.666 14 HA CYS 3 HA CYS 3 -6.938 -1.605 -5.034 15 HB2 CYS 3 HB2 CYS 3 -8.753 -3.325 -5.228 16 HB3 CYS 3 HB1 CYS 3 -9.949 -2.042 -5.064 17 H TRP 4 HN TRP 4 -6.385 0.362 -5.503 18 HA TRP 4 HA TRP 4 -8.345 2.454 -5.557 19 HB2 TRP 4 HB2 TRP 4 -7.610 2.377 -3.199 20 HB3 TRP 4 HB1 TRP 4 -5.949 2.609 -3.705 21 HD1 TRP 4 HD1 TRP 4 -8.647 4.770 -5.362 22 HE1 TRP 4 HE1 TRP 4 -8.389 7.201 -4.548 23 HE3 TRP 4 3HE TRP 4 -5.130 4.046 -1.733 24 HZ2 TRP 4 HZ2 TRP 4 -6.884 8.614 -2.653 25 HZ3 TRP 4 HZ3 TRP 4 -4.322 6.004 -0.491 26 HH2 TRP 4 2HH TRP 4 -5.178 8.222 -0.937 27 H HIS 5 HN HIS 5 -7.477 4.311 -6.632 28 HA HIS 5 HA HIS 5 -6.411 5.348 -8.303 29 HB2 HIS 5 HB2 HIS 5 -3.978 3.643 -7.577 30 HB3 HIS 5 HB1 HIS 5 -4.060 5.035 -8.655 31 HD1 HIS 5 HD1 HIS 5 -3.626 7.317 -7.622 32 HD2 HIS 5 HD2 HIS 5 -4.339 4.362 -4.796 33 HE1 HIS 5 HE1 HIS 5 -3.114 8.342 -5.358 34 H HIS 6 HN HIS 6 -7.856 2.903 -8.511 35 HA HIS 6 HA HIS 6 -8.587 1.366 -9.950 36 HB2 HIS 6 HB2 HIS 6 -8.379 3.292 -11.581 37 HB3 HIS 6 HB1 HIS 6 -6.791 2.687 -12.019 38 HD1 HIS 6 HD1 HIS 6 -6.979 1.604 -14.260 39 HD2 HIS 6 HD2 HIS 6 -10.296 0.857 -11.881 40 HE1 HIS 6 HE1 HIS 6 -8.498 0.128 -15.639 41 H SER 7 HN SER 7 -6.096 1.003 -8.365 42 HA SER 7 HA SER 7 -5.048 -1.261 -9.892 43 HB2 SER 7 HB2 SER 7 -3.555 0.439 -7.886 44 HB3 SER 7 HB1 SER 7 -2.887 -0.871 -8.862 45 HG SER 7 HG SER 7 -3.160 1.696 -9.436 46 H CYS 8 HN CYS 8 -5.875 -3.026 -8.979 47 HA CYS 8 HA CYS 8 -6.514 -3.079 -6.159 48 HB2 CYS 8 HB2 CYS 8 -6.822 -5.225 -8.272 49 HB3 CYS 8 HB1 CYS 8 -7.449 -5.295 -6.634 50 H VAL 9 HN VAL 9 -5.174 -3.874 -4.664 51 HA VAL 9 HA VAL 9 -2.951 -5.461 -5.637 52 HB VAL 9 HB VAL 9 -2.303 -3.209 -4.776 53 HG11 VAL 9 HG11 VAL 9 -3.971 -2.819 -3.137 54 HG12 VAL 9 HG12 VAL 9 -2.368 -2.675 -2.420 55 HG13 VAL 9 3HG1 VAL 9 -3.337 -4.122 -2.132 56 HG21 VAL 9 HG21 VAL 9 -0.502 -3.930 -3.269 57 HG22 VAL 9 HG22 VAL 9 -0.662 -4.973 -4.681 58 HG23 VAL 9 HG23 VAL 9 -1.284 -5.503 -3.116 59 HA PRO 10 HA PRO 10 -4.758 -8.824 -3.417 60 HB2 PRO 10 HB2 PRO 10 -2.378 -10.177 -2.888 61 HB3 PRO 10 HB1 PRO 10 -3.346 -10.341 -4.354 62 HG2 PRO 10 HG2 PRO 10 -0.910 -8.695 -3.864 63 HG3 PRO 10 HG1 PRO 10 -1.387 -9.587 -5.318 64 HD2 PRO 10 HD2 PRO 10 -1.624 -6.937 -5.166 65 HD3 PRO 10 HD1 PRO 10 -2.837 -7.920 -6.013 66 H SER 11 HN SER 11 -4.789 -9.795 -1.374 67 HA SER 11 HA SER 11 -4.572 -7.994 0.745 68 HB2 SER 11 HB2 SER 11 -4.888 -10.995 0.839 69 HB3 SER 11 HB1 SER 11 -5.265 -9.855 2.133 70 HG SER 11 HG SER 11 -6.439 -9.440 -0.373 71 H GLY 12 HN GLY 12 -3.218 -7.941 2.542 72 HA2 GLY 12 HA2 GLY 12 -1.294 -8.325 3.753 73 HA3 GLY 12 HA1 GLY 12 -0.846 -9.573 2.589 74 H THR 13 HN THR 13 -1.665 -6.161 2.096 75 HA THR 13 HA THR 13 0.644 -5.871 0.404 76 HB THR 13 HB THR 13 -1.214 -3.683 1.306 77 HG1 THR 13 HG1 THR 13 -1.633 -5.785 -0.551 78 HG21 THR 13 HG21 THR 13 0.788 -3.012 0.057 79 HG22 THR 13 HG22 THR 13 -0.667 -2.733 -0.900 80 HG23 THR 13 HG23 THR 13 0.358 -4.129 -1.239 81 H CYS 14 HN CYS 14 2.054 -6.378 2.224 82 HA CYS 14 HA CYS 14 2.595 -3.987 3.818 83 HB2 CYS 14 HB2 CYS 14 3.208 -6.846 4.609 84 HB3 CYS 14 HB1 CYS 14 3.378 -5.407 5.615 85 H ALA 15 HN ALA 15 4.121 -2.996 2.891 86 HA ALA 15 HA ALA 15 6.562 -4.308 2.188 87 HB1 ALA 15 HB1 ALA 15 5.183 -4.778 0.213 88 HB2 ALA 15 HB2 ALA 15 6.515 -3.688 -0.165 89 HB3 ALA 15 HB3 ALA 15 4.881 -3.050 0.018 90 H ASP 16 HN ASP 16 7.930 -2.612 1.006 91 HA ASP 16 HA ASP 16 7.888 -0.227 2.637 92 HB2 ASP 16 HB2 ASP 16 10.211 0.016 1.860 93 HB3 ASP 16 HB1 ASP 16 9.927 -1.567 2.567 94 H PHE 17 HN PHE 17 7.375 1.681 1.869 95 HA PHE 17 HA PHE 17 7.225 2.157 -1.025 96 HB2 PHE 17 HB2 PHE 17 5.389 3.076 1.214 97 HB3 PHE 17 HB1 PHE 17 5.330 3.748 -0.405 98 HD1 PHE 17 HD1 PHE 17 4.816 0.668 1.582 99 HD2 PHE 17 HD2 PHE 17 4.140 2.646 -2.123 100 HE1 PHE 17 HE1 PHE 17 3.221 -1.093 0.938 101 HE2 PHE 17 HE2 PHE 17 2.553 0.892 -2.773 102 HZ PHE 17 HZ PHE 17 2.088 -0.983 -1.243 103 HA PRO 18 HA PRO 18 9.988 5.568 -0.327 104 HB2 PRO 18 HB2 PRO 18 8.758 7.653 -1.654 105 HB3 PRO 18 HB1 PRO 18 9.710 6.393 -2.443 106 HG2 PRO 18 HG2 PRO 18 6.738 6.593 -2.114 107 HG3 PRO 18 HG1 PRO 18 7.674 6.119 -3.544 108 HD2 PRO 18 HD2 PRO 18 6.500 4.280 -2.026 109 HD3 PRO 18 HD1 PRO 18 8.116 3.994 -2.700 110 H TRP 19 HN TRP 19 10.121 7.881 0.463 111 HA TRP 19 HA TRP 19 8.807 8.199 2.968 112 HB2 TRP 19 HB2 TRP 19 11.109 9.056 2.269 113 HB3 TRP 19 HB1 TRP 19 10.281 10.280 1.324 114 HD1 TRP 19 HD1 TRP 19 8.720 11.996 2.853 115 HE1 TRP 19 HE1 TRP 19 9.242 13.009 5.197 116 HE3 TRP 19 3HE TRP 19 12.287 8.703 4.363 117 HZ2 TRP 19 HZ2 TRP 19 10.970 12.470 7.353 118 HZ3 TRP 19 HZ3 TRP 19 13.339 9.018 6.562 119 HH2 TRP 19 2HH TRP 19 12.695 10.861 8.019 120 HA PRO 20 HA PRO 20 7.966 9.413 4.325 121 HB2 PRO 20 HB2 PRO 20 5.904 10.434 5.611 122 HB3 PRO 20 HB1 PRO 20 7.046 11.486 4.767 123 HG2 PRO 20 HG2 PRO 20 4.280 10.701 3.999 124 HG3 PRO 20 HG1 PRO 20 5.147 12.212 3.682 125 HD2 PRO 20 HD2 PRO 20 4.825 10.006 1.909 126 HD3 PRO 20 HD1 PRO 20 5.824 11.443 1.657 127 H LEU 21 HN LEU 21 6.266 7.474 2.560 128 HA LEU 21 HA LEU 21 4.357 6.445 4.432 129 HB2 LEU 21 HB2 LEU 21 5.347 5.246 1.840 130 HB3 LEU 21 HB1 LEU 21 4.073 4.563 2.822 131 HG LEU 21 HG LEU 21 2.831 6.781 2.405 132 HD11 LEU 21 HD11 LEU 21 4.818 6.944 0.154 133 HD12 LEU 21 HD12 LEU 21 4.718 8.033 1.530 134 HD13 LEU 21 HD13 LEU 21 3.393 7.966 0.366 135 HD21 LEU 21 HD21 LEU 21 2.142 4.665 1.452 136 HD22 LEU 21 HD22 LEU 21 3.317 4.845 0.150 137 HD23 LEU 21 HD23 LEU 21 1.956 5.959 0.268 138 H GLY 22 HN GLY 22 7.283 5.011 2.959 139 HA2 GLY 22 HA2 GLY 22 8.830 3.617 3.906 140 HA3 GLY 22 HA1 GLY 22 8.106 3.936 5.482 141 H HIS 23 HN HIS 23 7.703 1.955 6.284 142 HA HIS 23 HA HIS 23 6.713 -0.089 4.521 143 HB2 HIS 23 HB2 HIS 23 8.285 -0.666 6.348 144 HB3 HIS 23 HB1 HIS 23 7.068 -0.195 7.527 145 HD1 HIS 23 HD1 HIS 23 5.318 -1.961 8.131 146 HD2 HIS 23 HD2 HIS 23 7.622 -2.975 4.833 147 HE1 HIS 23 HE1 HIS 23 4.732 -4.359 7.583 148 H GLN 24 HN GLN 24 4.727 -0.251 3.984 149 HA GLN 24 HA GLN 24 2.601 0.707 5.794 150 HB2 GLN 24 HB2 GLN 24 2.539 0.324 2.785 151 HB3 GLN 24 HB1 GLN 24 1.206 0.907 3.771 152 HG2 GLN 24 HG2 GLN 24 3.852 2.307 3.468 153 HG3 GLN 24 HG1 GLN 24 2.399 2.691 2.547 154 HE21 GLN 24 1HE2 GLN 24 3.902 2.782 5.693 155 HE22 GLN 24 2HE2 GLN 24 2.801 3.917 6.381 156 H CYS 25 HN CYS 25 0.785 -0.746 6.041 157 HA CYS 25 HA CYS 25 1.146 -3.377 4.930 158 HB2 CYS 25 HB2 CYS 25 2.536 -3.413 6.963 159 HB3 CYS 25 HB1 CYS 25 1.142 -2.927 7.915 160 H PHE 26 HN PHE 26 -0.648 -3.433 3.954 161 HA PHE 26 HA PHE 26 -3.162 -2.953 5.401 162 HB2 PHE 26 HB2 PHE 26 -2.719 -3.321 2.418 163 HB3 PHE 26 HB1 PHE 26 -4.224 -2.906 3.193 164 HD1 PHE 26 HD1 PHE 26 -0.862 -1.650 2.339 165 HD2 PHE 26 HD2 PHE 26 -4.738 -0.685 3.804 166 HE1 PHE 26 HE1 PHE 26 -0.371 0.741 2.055 167 HE2 PHE 26 HE2 PHE 26 -4.255 1.692 3.527 168 HZ PHE 26 HZ PHE 26 -2.068 2.419 2.652 169 HA PRO 27 HA PRO 27 -2.639 -7.464 5.733 170 HB2 PRO 27 HB2 PRO 27 -5.172 -7.097 7.238 171 HB3 PRO 27 HB1 PRO 27 -3.713 -7.982 7.698 172 HG2 PRO 27 HG2 PRO 27 -4.228 -5.631 8.796 173 HG3 PRO 27 HG1 PRO 27 -2.576 -6.052 8.307 174 HD2 PRO 27 HD2 PRO 27 -4.553 -4.272 6.941 175 HD3 PRO 27 HD1 PRO 27 -2.804 -4.071 7.157 176 H ASP 28 HN ASP 28 -5.676 -5.841 4.889 177 HA ASP 28 HA ASP 28 -6.471 -8.281 3.463 178 HB2 ASP 28 HB2 ASP 28 -8.738 -7.422 3.370 179 HB3 ASP 28 HB1 ASP 28 -8.151 -7.347 5.021 Start of MODEL 18 1 H1 GLY 1 HN GLY 1 -5.757 -5.468 1.631 2 HA2 GLY 1 HA2 GLY 1 -5.311 -4.721 -0.525 3 HA3 GLY 1 HA1 GLY 1 -6.325 -6.017 -1.147 4 H PHE 2 HN PHE 2 -6.416 -3.361 -2.168 5 HA PHE 2 HA PHE 2 -9.204 -2.947 -1.971 6 HB2 PHE 2 HB2 PHE 2 -9.290 -0.682 -1.054 7 HB3 PHE 2 HB1 PHE 2 -8.649 -1.813 0.123 8 HD1 PHE 2 HD1 PHE 2 -7.930 1.100 -1.976 9 HD2 PHE 2 HD2 PHE 2 -6.343 -1.646 0.870 10 HE1 PHE 2 HE1 PHE 2 -6.039 2.613 -1.573 11 HE2 PHE 2 HE2 PHE 2 -4.446 -0.129 1.263 12 HZ PHE 2 HZ PHE 2 -4.296 1.996 0.048 13 H CYS 3 HN CYS 3 -9.964 -1.107 -3.257 14 HA CYS 3 HA CYS 3 -8.025 -0.375 -5.319 15 HB2 CYS 3 HB2 CYS 3 -10.961 -0.992 -5.704 16 HB3 CYS 3 HB1 CYS 3 -9.824 -0.479 -6.942 17 H TRP 4 HN TRP 4 -7.975 1.715 -5.845 18 HA TRP 4 HA TRP 4 -10.175 3.478 -5.481 19 HB2 TRP 4 HB2 TRP 4 -9.269 4.939 -3.831 20 HB3 TRP 4 HB1 TRP 4 -9.013 3.324 -3.187 21 HD1 TRP 4 HD1 TRP 4 -6.206 2.655 -4.594 22 HE1 TRP 4 HE1 TRP 4 -4.093 3.934 -3.857 23 HE3 TRP 4 3HE TRP 4 -8.429 6.734 -2.495 24 HZ2 TRP 4 HZ2 TRP 4 -3.469 6.376 -2.568 25 HZ3 TRP 4 HZ3 TRP 4 -7.011 8.490 -1.528 26 HH2 TRP 4 2HH TRP 4 -4.577 8.303 -1.563 27 H HIS 5 HN HIS 5 -9.703 5.485 -6.667 28 HA HIS 5 HA HIS 5 -8.805 6.612 -8.476 29 HB2 HIS 5 HB2 HIS 5 -6.316 5.477 -7.206 30 HB3 HIS 5 HB1 HIS 5 -6.205 6.455 -8.645 31 HD1 HIS 5 HD1 HIS 5 -5.213 8.611 -7.817 32 HD2 HIS 5 HD2 HIS 5 -8.192 7.192 -5.299 33 HE1 HIS 5 HE1 HIS 5 -5.414 10.290 -5.967 34 H HIS 6 HN HIS 6 -9.605 3.698 -8.735 35 HA HIS 6 HA HIS 6 -9.609 2.000 -10.200 36 HB2 HIS 6 HB2 HIS 6 -8.368 4.092 -11.991 37 HB3 HIS 6 HB1 HIS 6 -8.659 2.452 -12.557 38 HD1 HIS 6 HD1 HIS 6 -10.351 5.692 -12.059 39 HD2 HIS 6 HD2 HIS 6 -11.394 1.705 -12.561 40 HE1 HIS 6 HE1 HIS 6 -12.794 5.685 -12.702 41 H SER 7 HN SER 7 -7.287 2.536 -8.392 42 HA SER 7 HA SER 7 -5.355 0.764 -9.683 43 HB2 SER 7 HB2 SER 7 -4.967 2.725 -7.400 44 HB3 SER 7 HB1 SER 7 -3.705 1.784 -8.199 45 HG SER 7 HG SER 7 -5.323 3.314 -9.805 46 H CYS 8 HN CYS 8 -5.278 -1.220 -8.768 47 HA CYS 8 HA CYS 8 -6.562 -1.561 -6.161 48 HB2 CYS 8 HB2 CYS 8 -6.264 -3.502 -8.449 49 HB3 CYS 8 HB1 CYS 8 -6.870 -3.940 -6.859 50 H VAL 9 HN VAL 9 -5.317 -2.093 -4.551 51 HA VAL 9 HA VAL 9 -2.671 -3.086 -5.165 52 HB VAL 9 HB VAL 9 -2.709 -1.178 -3.618 53 HG11 VAL 9 HG11 VAL 9 -4.891 -1.449 -2.627 54 HG12 VAL 9 HG12 VAL 9 -3.655 -1.329 -1.373 55 HG13 VAL 9 3HG1 VAL 9 -4.348 -2.898 -1.782 56 HG21 VAL 9 HG21 VAL 9 -1.383 -2.095 -1.776 57 HG22 VAL 9 HG22 VAL 9 -0.932 -2.809 -3.329 58 HG23 VAL 9 HG23 VAL 9 -1.932 -3.717 -2.198 59 HA PRO 10 HA PRO 10 -4.123 -7.235 -4.455 60 HB2 PRO 10 HB2 PRO 10 -1.265 -7.811 -3.973 61 HB3 PRO 10 HB1 PRO 10 -2.367 -8.530 -5.146 62 HG2 PRO 10 HG2 PRO 10 -0.472 -6.841 -5.911 63 HG3 PRO 10 HG1 PRO 10 -2.076 -6.819 -6.663 64 HD2 PRO 10 HD2 PRO 10 -0.921 -4.968 -4.619 65 HD3 PRO 10 HD1 PRO 10 -1.947 -4.624 -6.035 66 H SER 11 HN SER 11 -4.556 -8.503 -2.772 67 HA SER 11 HA SER 11 -4.036 -7.638 -0.125 68 HB2 SER 11 HB2 SER 11 -5.082 -10.314 -1.002 69 HB3 SER 11 HB1 SER 11 -5.511 -9.361 0.420 70 HG SER 11 HG SER 11 -6.981 -8.402 -0.688 71 H GLY 12 HN GLY 12 -2.102 -8.085 0.850 72 HA2 GLY 12 HA2 GLY 12 -0.614 -9.805 1.657 73 HA3 GLY 12 HA1 GLY 12 -0.729 -10.558 0.067 74 H THR 13 HN THR 13 -0.492 -7.151 0.519 75 HA THR 13 HA THR 13 2.152 -7.226 -0.720 76 HB THR 13 HB THR 13 0.139 -4.958 -0.658 77 HG1 THR 13 HG1 THR 13 -0.715 -6.253 -2.094 78 HG21 THR 13 HG21 THR 13 2.465 -4.172 -0.845 79 HG22 THR 13 HG22 THR 13 1.606 -3.938 -2.369 80 HG23 THR 13 HG23 THR 13 2.737 -5.278 -2.191 81 H CYS 14 HN CYS 14 3.389 -7.396 1.050 82 HA CYS 14 HA CYS 14 3.317 -5.188 2.985 83 HB2 CYS 14 HB2 CYS 14 2.524 -7.339 3.971 84 HB3 CYS 14 HB1 CYS 14 4.030 -8.092 3.482 85 H ALA 15 HN ALA 15 4.993 -3.943 2.616 86 HA ALA 15 HA ALA 15 7.642 -5.050 2.330 87 HB1 ALA 15 HB1 ALA 15 6.870 -5.147 0.016 88 HB2 ALA 15 HB2 ALA 15 8.065 -3.856 0.185 89 HB3 ALA 15 HB3 ALA 15 6.351 -3.467 0.100 90 H ASP 16 HN ASP 16 9.260 -3.184 2.267 91 HA ASP 16 HA ASP 16 8.203 -1.006 3.856 92 HB2 ASP 16 HB2 ASP 16 10.553 -0.361 4.236 93 HB3 ASP 16 HB1 ASP 16 10.282 -2.042 4.671 94 H PHE 17 HN PHE 17 7.973 0.954 3.164 95 HA PHE 17 HA PHE 17 8.805 1.616 0.442 96 HB2 PHE 17 HB2 PHE 17 6.302 2.335 1.994 97 HB3 PHE 17 HB1 PHE 17 6.774 3.150 0.515 98 HD1 PHE 17 HD1 PHE 17 5.963 -0.244 1.852 99 HD2 PHE 17 HD2 PHE 17 5.991 2.357 -1.509 100 HE1 PHE 17 HE1 PHE 17 4.694 -1.904 0.565 101 HE2 PHE 17 HE2 PHE 17 4.730 0.700 -2.806 102 HZ PHE 17 HZ PHE 17 4.077 -1.438 -1.773 103 HA PRO 18 HA PRO 18 11.145 4.918 2.195 104 HB2 PRO 18 HB2 PRO 18 10.476 7.029 0.542 105 HB3 PRO 18 HB1 PRO 18 11.658 5.781 0.139 106 HG2 PRO 18 HG2 PRO 18 8.781 5.989 -0.658 107 HG3 PRO 18 HG1 PRO 18 10.181 5.502 -1.631 108 HD2 PRO 18 HD2 PRO 18 8.489 3.695 -0.645 109 HD3 PRO 18 HD1 PRO 18 10.233 3.371 -0.713 110 H TRP 19 HN TRP 19 10.989 7.134 3.075 111 HA TRP 19 HA TRP 19 8.825 7.364 4.904 112 HB2 TRP 19 HB2 TRP 19 11.212 8.082 5.246 113 HB3 TRP 19 HB1 TRP 19 10.910 9.408 4.134 114 HD1 TRP 19 HD1 TRP 19 9.080 11.194 4.962 115 HE1 TRP 19 HE1 TRP 19 8.563 12.067 7.363 116 HE3 TRP 19 3HE TRP 19 11.175 7.430 7.626 117 HZ2 TRP 19 HZ2 TRP 19 9.015 11.230 10.010 118 HZ3 TRP 19 HZ3 TRP 19 11.107 7.522 10.080 119 HH2 TRP 19 2HH TRP 19 10.046 9.390 11.240 120 HA PRO 20 HA PRO 20 7.539 8.368 5.936 121 HB2 PRO 20 HB2 PRO 20 4.986 9.413 6.225 122 HB3 PRO 20 HB1 PRO 20 6.486 10.269 6.577 123 HG2 PRO 20 HG2 PRO 20 4.621 10.901 4.541 124 HG3 PRO 20 HG1 PRO 20 6.232 11.598 4.758 125 HD2 PRO 20 HD2 PRO 20 5.351 9.383 2.956 126 HD3 PRO 20 HD1 PRO 20 6.586 10.637 2.687 127 H LEU 21 HN LEU 21 6.624 6.784 3.410 128 HA LEU 21 HA LEU 21 4.049 5.795 4.039 129 HB2 LEU 21 HB2 LEU 21 6.165 4.639 2.217 130 HB3 LEU 21 HB1 LEU 21 4.568 3.956 2.398 131 HG LEU 21 HG LEU 21 3.690 6.206 1.546 132 HD11 LEU 21 HD11 LEU 21 5.684 7.540 1.817 133 HD12 LEU 21 HD12 LEU 21 5.182 7.505 0.127 134 HD13 LEU 21 HD13 LEU 21 6.545 6.523 0.663 135 HD21 LEU 21 HD21 LEU 21 3.641 4.172 0.224 136 HD22 LEU 21 HD22 LEU 21 5.297 4.466 -0.313 137 HD23 LEU 21 HD23 LEU 21 4.008 5.570 -0.783 138 H GLY 22 HN GLY 22 7.299 4.301 4.363 139 HA2 GLY 22 HA2 GLY 22 8.058 3.078 6.143 140 HA3 GLY 22 HA1 GLY 22 6.474 3.219 6.903 141 H HIS 23 HN HIS 23 6.141 1.099 7.389 142 HA HIS 23 HA HIS 23 6.476 -0.790 5.215 143 HB2 HIS 23 HB2 HIS 23 6.014 -1.270 8.165 144 HB3 HIS 23 HB1 HIS 23 5.967 -2.558 6.967 145 HD1 HIS 23 HD1 HIS 23 8.200 -3.756 6.696 146 HD2 HIS 23 HD2 HIS 23 8.608 0.183 7.957 147 HE1 HIS 23 HE1 HIS 23 10.638 -3.417 7.057 148 H GLN 24 HN GLN 24 4.987 -0.737 3.930 149 HA GLN 24 HA GLN 24 2.232 -0.435 4.792 150 HB2 GLN 24 HB2 GLN 24 3.456 -0.369 2.035 151 HB3 GLN 24 HB1 GLN 24 1.747 -0.143 2.380 152 HG2 GLN 24 HG2 GLN 24 3.955 1.625 3.413 153 HG3 GLN 24 HG1 GLN 24 2.949 1.953 2.001 154 HE21 GLN 24 1HE2 GLN 24 0.871 2.611 2.274 155 HE22 GLN 24 2HE2 GLN 24 0.214 3.090 3.792 156 H CYS 25 HN CYS 25 1.178 -2.168 5.171 157 HA CYS 25 HA CYS 25 1.644 -4.540 3.537 158 HB2 CYS 25 HB2 CYS 25 1.377 -4.564 6.556 159 HB3 CYS 25 HB1 CYS 25 1.551 -5.978 5.521 160 H PHE 26 HN PHE 26 -0.073 -4.711 2.470 161 HA PHE 26 HA PHE 26 -2.683 -4.082 3.680 162 HB2 PHE 26 HB2 PHE 26 -2.026 -4.437 0.749 163 HB3 PHE 26 HB1 PHE 26 -3.484 -3.739 1.435 164 HD1 PHE 26 HD1 PHE 26 -0.114 -3.130 0.317 165 HD2 PHE 26 HD2 PHE 26 -3.328 -1.512 2.584 166 HE1 PHE 26 HE1 PHE 26 0.898 -0.909 0.149 167 HE2 PHE 26 HE2 PHE 26 -2.311 0.721 2.413 168 HZ PHE 26 HZ PHE 26 -0.207 1.024 1.201 169 HA PRO 27 HA PRO 27 -2.902 -8.622 3.267 170 HB2 PRO 27 HB2 PRO 27 -4.365 -9.127 5.449 171 HB3 PRO 27 HB1 PRO 27 -2.644 -8.745 5.547 172 HG2 PRO 27 HG2 PRO 27 -4.999 -7.019 6.108 173 HG3 PRO 27 HG1 PRO 27 -3.439 -7.085 6.946 174 HD2 PRO 27 HD2 PRO 27 -4.183 -5.199 5.038 175 HD3 PRO 27 HD1 PRO 27 -2.518 -5.558 5.528 176 H ASP 28 HN ASP 28 -5.516 -6.314 3.576 177 HA ASP 28 HA ASP 28 -7.451 -8.291 2.640 178 HB2 ASP 28 HB2 ASP 28 -7.816 -5.450 3.608 179 HB3 ASP 28 HB1 ASP 28 -9.108 -6.358 2.845 Start of MODEL 19 1 H1 GLY 1 HN GLY 1 -6.193 -8.146 -1.361 2 HA2 GLY 1 HA2 GLY 1 -5.778 -5.273 -1.036 3 HA3 GLY 1 HA1 GLY 1 -5.353 -6.234 -2.448 4 H PHE 2 HN PHE 2 -6.617 -3.964 -2.942 5 HA PHE 2 HA PHE 2 -8.996 -4.669 -4.212 6 HB2 PHE 2 HB2 PHE 2 -10.681 -3.473 -2.906 7 HB3 PHE 2 HB1 PHE 2 -9.909 -4.652 -1.866 8 HD1 PHE 2 HD1 PHE 2 -11.072 -1.391 -2.082 9 HD2 PHE 2 HD2 PHE 2 -7.841 -3.639 -0.467 10 HE1 PHE 2 HE1 PHE 2 -10.650 0.391 -0.454 11 HE2 PHE 2 HE2 PHE 2 -7.414 -1.853 1.162 12 HZ PHE 2 HZ PHE 2 -8.824 0.171 1.162 13 H CYS 3 HN CYS 3 -10.202 -2.279 -4.583 14 HA CYS 3 HA CYS 3 -7.987 -0.651 -5.559 15 HB2 CYS 3 HB2 CYS 3 -10.841 -0.770 -6.550 16 HB3 CYS 3 HB1 CYS 3 -9.524 0.157 -7.259 17 H TRP 4 HN TRP 4 -7.600 1.127 -4.523 18 HA TRP 4 HA TRP 4 -9.769 2.755 -3.519 19 HB2 TRP 4 HB2 TRP 4 -8.957 2.904 -1.291 20 HB3 TRP 4 HB1 TRP 4 -8.908 1.194 -1.693 21 HD1 TRP 4 HD1 TRP 4 -6.005 1.078 -3.082 22 HE1 TRP 4 HE1 TRP 4 -3.903 1.424 -1.639 23 HE3 TRP 4 3HE TRP 4 -8.134 3.458 0.901 24 HZ2 TRP 4 HZ2 TRP 4 -3.243 2.567 0.860 25 HZ3 TRP 4 HZ3 TRP 4 -6.692 4.136 2.774 26 HH2 TRP 4 2HH TRP 4 -4.299 3.691 2.745 27 H HIS 5 HN HIS 5 -9.024 5.011 -3.298 28 HA HIS 5 HA HIS 5 -7.832 6.834 -3.991 29 HB2 HIS 5 HB2 HIS 5 -5.589 4.859 -3.586 30 HB3 HIS 5 HB1 HIS 5 -5.245 6.476 -4.143 31 HD1 HIS 5 HD1 HIS 5 -4.154 7.533 -2.118 32 HD2 HIS 5 HD2 HIS 5 -7.558 5.375 -1.129 33 HE1 HIS 5 HE1 HIS 5 -4.526 7.899 0.341 34 H HIS 6 HN HIS 6 -8.899 4.830 -5.889 35 HA HIS 6 HA HIS 6 -9.068 4.384 -8.100 36 HB2 HIS 6 HB2 HIS 6 -8.884 6.866 -8.360 37 HB3 HIS 6 HB1 HIS 6 -7.145 6.731 -8.445 38 HD1 HIS 6 HD1 HIS 6 -6.304 6.893 -10.828 39 HD2 HIS 6 HD2 HIS 6 -10.129 5.279 -10.592 40 HE1 HIS 6 HE1 HIS 6 -7.056 6.571 -13.193 41 H SER 7 HN SER 7 -6.752 3.376 -6.319 42 HA SER 7 HA SER 7 -5.075 2.312 -8.469 43 HB2 SER 7 HB2 SER 7 -3.854 3.869 -6.976 44 HB3 SER 7 HB1 SER 7 -4.363 2.928 -5.580 45 HG SER 7 HG SER 7 -2.802 1.921 -7.723 46 H CYS 8 HN CYS 8 -4.997 0.117 -8.557 47 HA CYS 8 HA CYS 8 -6.469 -1.312 -6.503 48 HB2 CYS 8 HB2 CYS 8 -5.655 -2.158 -9.286 49 HB3 CYS 8 HB1 CYS 8 -6.545 -3.167 -8.147 50 H VAL 9 HN VAL 9 -5.396 -2.158 -4.969 51 HA VAL 9 HA VAL 9 -2.622 -2.870 -5.410 52 HB VAL 9 HB VAL 9 -2.939 -1.353 -3.524 53 HG11 VAL 9 HG11 VAL 9 -5.239 -1.808 -2.948 54 HG12 VAL 9 HG12 VAL 9 -4.209 -1.949 -1.522 55 HG13 VAL 9 3HG1 VAL 9 -4.790 -3.400 -2.336 56 HG21 VAL 9 HG21 VAL 9 -1.884 -2.637 -1.716 57 HG22 VAL 9 HG22 VAL 9 -1.167 -3.004 -3.286 58 HG23 VAL 9 HG23 VAL 9 -2.302 -4.133 -2.550 59 HA PRO 10 HA PRO 10 -4.024 -7.131 -5.574 60 HB2 PRO 10 HB2 PRO 10 -1.160 -7.764 -5.319 61 HB3 PRO 10 HB1 PRO 10 -2.282 -8.155 -6.626 62 HG2 PRO 10 HG2 PRO 10 -0.379 -6.313 -6.954 63 HG3 PRO 10 HG1 PRO 10 -1.986 -6.108 -7.671 64 HD2 PRO 10 HD2 PRO 10 -0.840 -4.873 -5.200 65 HD3 PRO 10 HD1 PRO 10 -1.802 -4.149 -6.516 66 H SER 11 HN SER 11 -4.225 -8.865 -4.203 67 HA SER 11 HA SER 11 -3.903 -8.418 -1.430 68 HB2 SER 11 HB2 SER 11 -4.643 -10.937 -2.938 69 HB3 SER 11 HB1 SER 11 -4.906 -10.627 -1.220 70 HG SER 11 HG SER 11 -6.782 -10.240 -2.508 71 H GLY 12 HN GLY 12 -2.034 -8.687 -0.324 72 HA2 GLY 12 HA2 GLY 12 -0.466 -10.334 0.474 73 HA3 GLY 12 HA1 GLY 12 -0.220 -10.823 -1.200 74 H THR 13 HN THR 13 -0.630 -7.641 -1.391 75 HA THR 13 HA THR 13 2.175 -7.173 -1.715 76 HB THR 13 HB THR 13 -0.098 -5.188 -1.940 77 HG1 THR 13 HG1 THR 13 -0.603 -6.604 -3.416 78 HG21 THR 13 HG21 THR 13 1.459 -3.997 -3.426 79 HG22 THR 13 HG22 THR 13 2.685 -5.230 -3.137 80 HG23 THR 13 HG23 THR 13 2.150 -4.192 -1.816 81 H CYS 14 HN CYS 14 3.236 -7.013 0.138 82 HA CYS 14 HA CYS 14 2.437 -4.823 1.888 83 HB2 CYS 14 HB2 CYS 14 3.625 -7.459 2.784 84 HB3 CYS 14 HB1 CYS 14 3.284 -6.085 3.833 85 H ALA 15 HN ALA 15 3.877 -3.306 1.992 86 HA ALA 15 HA ALA 15 6.688 -3.860 1.922 87 HB1 ALA 15 HB1 ALA 15 6.151 -3.764 -0.479 88 HB2 ALA 15 HB2 ALA 15 7.126 -2.382 0.017 89 HB3 ALA 15 HB3 ALA 15 5.393 -2.188 -0.241 90 H ASP 16 HN ASP 16 7.684 -2.349 3.159 91 HA ASP 16 HA ASP 16 6.070 -0.105 4.032 92 HB2 ASP 16 HB2 ASP 16 7.729 0.210 5.780 93 HB3 ASP 16 HB1 ASP 16 7.245 -1.478 5.755 94 H PHE 17 HN PHE 17 6.724 1.971 3.760 95 HA PHE 17 HA PHE 17 8.936 2.417 1.898 96 HB2 PHE 17 HB2 PHE 17 6.270 3.865 1.937 97 HB3 PHE 17 HB1 PHE 17 7.585 4.137 0.788 98 HD1 PHE 17 HD1 PHE 17 4.672 2.205 1.661 99 HD2 PHE 17 HD2 PHE 17 8.054 2.376 -0.904 100 HE1 PHE 17 HE1 PHE 17 3.618 0.565 0.175 101 HE2 PHE 17 HE2 PHE 17 7.002 0.739 -2.394 102 HZ PHE 17 HZ PHE 17 4.774 -0.174 -1.852 103 HA PRO 18 HA PRO 18 9.646 4.209 6.041 104 HB2 PRO 18 HB2 PRO 18 12.237 4.789 4.692 105 HB3 PRO 18 HB1 PRO 18 11.931 4.126 6.299 106 HG2 PRO 18 HG2 PRO 18 12.684 2.520 4.341 107 HG3 PRO 18 HG1 PRO 18 11.418 2.013 5.474 108 HD2 PRO 18 HD2 PRO 18 11.166 2.985 2.663 109 HD3 PRO 18 HD1 PRO 18 10.258 1.710 3.504 110 H TRP 19 HN TRP 19 11.430 6.060 3.577 111 HA TRP 19 HA TRP 19 10.280 8.375 4.873 112 HB2 TRP 19 HB2 TRP 19 12.685 8.245 5.114 113 HB3 TRP 19 HB1 TRP 19 12.879 8.162 3.367 114 HD1 TRP 19 HD1 TRP 19 11.344 10.643 5.929 115 HE1 TRP 19 HE1 TRP 19 11.873 13.030 5.144 116 HE3 TRP 19 3HE TRP 19 13.761 9.539 1.566 117 HZ2 TRP 19 HZ2 TRP 19 13.146 14.287 2.963 118 HZ3 TRP 19 HZ3 TRP 19 14.602 11.395 0.184 119 HH2 TRP 19 2HH TRP 19 14.298 13.718 0.872 120 HA PRO 20 HA PRO 20 8.828 9.400 4.899 121 HB2 PRO 20 HB2 PRO 20 7.484 11.609 4.155 122 HB3 PRO 20 HB1 PRO 20 9.236 11.631 4.387 123 HG2 PRO 20 HG2 PRO 20 7.785 12.033 1.934 124 HG3 PRO 20 HG1 PRO 20 9.536 12.042 2.183 125 HD2 PRO 20 HD2 PRO 20 7.771 9.813 1.278 126 HD3 PRO 20 HD1 PRO 20 9.466 10.151 0.853 127 H LEU 21 HN LEU 21 7.533 7.244 3.942 128 HA LEU 21 HA LEU 21 4.795 8.187 3.476 129 HB2 LEU 21 HB2 LEU 21 6.051 5.613 2.620 130 HB3 LEU 21 HB1 LEU 21 4.343 5.948 2.464 131 HG LEU 21 HG LEU 21 5.241 6.184 0.340 132 HD11 LEU 21 HD11 LEU 21 5.036 8.956 1.428 133 HD12 LEU 21 HD12 LEU 21 3.730 7.949 0.803 134 HD13 LEU 21 HD13 LEU 21 4.999 8.520 -0.281 135 HD21 LEU 21 HD21 LEU 21 7.595 6.203 0.788 136 HD22 LEU 21 HD22 LEU 21 7.486 7.797 1.513 137 HD23 LEU 21 HD23 LEU 21 7.212 7.602 -0.220 138 H GLY 22 HN GLY 22 5.984 4.994 4.463 139 HA2 GLY 22 HA2 GLY 22 5.456 4.746 7.033 140 HA3 GLY 22 HA1 GLY 22 3.821 4.852 6.379 141 H HIS 23 HN HIS 23 3.401 2.687 6.998 142 HA HIS 23 HA HIS 23 4.846 0.671 5.404 143 HB2 HIS 23 HB2 HIS 23 3.490 0.386 8.097 144 HB3 HIS 23 HB1 HIS 23 3.994 -0.987 7.131 145 HD1 HIS 23 HD1 HIS 23 5.816 -1.885 8.704 146 HD2 HIS 23 HD2 HIS 23 6.281 2.142 7.771 147 HE1 HIS 23 HE1 HIS 23 8.001 -1.209 9.701 148 H GLN 24 HN GLN 24 3.649 -0.451 3.904 149 HA GLN 24 HA GLN 24 0.742 -0.344 4.235 150 HB2 GLN 24 HB2 GLN 24 2.339 -0.332 1.680 151 HB3 GLN 24 HB1 GLN 24 0.603 -0.545 1.741 152 HG2 GLN 24 HG2 GLN 24 0.531 1.718 2.896 153 HG3 GLN 24 HG1 GLN 24 2.220 1.881 2.407 154 HE21 GLN 24 1HE2 GLN 24 -1.034 1.699 1.360 155 HE22 GLN 24 2HE2 GLN 24 -0.785 2.207 -0.280 156 H CYS 25 HN CYS 25 -0.108 -2.271 4.585 157 HA CYS 25 HA CYS 25 0.972 -4.509 3.100 158 HB2 CYS 25 HB2 CYS 25 2.004 -4.663 5.328 159 HB3 CYS 25 HB1 CYS 25 0.419 -4.582 6.077 160 H PHE 26 HN PHE 26 -0.551 -5.343 1.971 161 HA PHE 26 HA PHE 26 -3.287 -5.263 3.021 162 HB2 PHE 26 HB2 PHE 26 -2.366 -5.035 0.150 163 HB3 PHE 26 HB1 PHE 26 -4.037 -5.221 0.648 164 HD1 PHE 26 HD1 PHE 26 -1.129 -2.959 0.658 165 HD2 PHE 26 HD2 PHE 26 -5.295 -3.373 1.421 166 HE1 PHE 26 HE1 PHE 26 -1.347 -0.517 0.773 167 HE2 PHE 26 HE2 PHE 26 -5.512 -0.923 1.541 168 HZ PHE 26 HZ PHE 26 -3.548 0.498 1.218 169 HA PRO 27 HA PRO 27 -2.366 -9.763 2.518 170 HB2 PRO 27 HB2 PRO 27 -4.712 -9.820 4.353 171 HB3 PRO 27 HB1 PRO 27 -3.171 -10.673 4.501 172 HG2 PRO 27 HG2 PRO 27 -3.736 -8.606 6.087 173 HG3 PRO 27 HG1 PRO 27 -2.099 -8.839 5.446 174 HD2 PRO 27 HD2 PRO 27 -4.229 -6.935 4.544 175 HD3 PRO 27 HD1 PRO 27 -2.482 -6.674 4.716 176 H ASP 28 HN ASP 28 -5.256 -7.865 2.614 177 HA ASP 28 HA ASP 28 -6.417 -9.357 0.379 178 HB2 ASP 28 HB2 ASP 28 -7.772 -9.596 2.455 179 HB3 ASP 28 HB1 ASP 28 -7.839 -7.846 2.601 Start of MODEL 20 1 H1 GLY 1 HN GLY 1 -5.196 -5.586 0.585 2 HA2 GLY 1 HA2 GLY 1 -4.693 -5.053 -1.604 3 HA3 GLY 1 HA1 GLY 1 -5.619 -6.428 -2.182 4 H PHE 2 HN PHE 2 -5.641 -3.483 -2.774 5 HA PHE 2 HA PHE 2 -8.513 -3.227 -2.714 6 HB2 PHE 2 HB2 PHE 2 -8.487 -0.958 -1.791 7 HB3 PHE 2 HB1 PHE 2 -7.814 -2.087 -0.628 8 HD1 PHE 2 HD1 PHE 2 -7.227 0.860 -2.644 9 HD2 PHE 2 HD2 PHE 2 -5.345 -2.102 -0.242 10 HE1 PHE 2 HE1 PHE 2 -5.248 2.294 -2.437 11 HE2 PHE 2 HE2 PHE 2 -3.364 -0.674 -0.033 12 HZ PHE 2 HZ PHE 2 -3.307 1.526 -1.124 13 H CYS 3 HN CYS 3 -9.237 -1.817 -4.344 14 HA CYS 3 HA CYS 3 -7.122 -0.717 -6.000 15 HB2 CYS 3 HB2 CYS 3 -8.068 -2.732 -7.108 16 HB3 CYS 3 HB1 CYS 3 -9.673 -2.013 -7.008 17 H TRP 4 HN TRP 4 -7.319 1.359 -6.268 18 HA TRP 4 HA TRP 4 -9.934 2.547 -6.128 19 HB2 TRP 4 HB2 TRP 4 -9.520 3.922 -4.268 20 HB3 TRP 4 HB1 TRP 4 -8.888 2.354 -3.782 21 HD1 TRP 4 HD1 TRP 4 -5.923 2.689 -5.092 22 HE1 TRP 4 HE1 TRP 4 -4.286 4.377 -4.064 23 HE3 TRP 4 3HE TRP 4 -9.251 5.556 -2.506 24 HZ2 TRP 4 HZ2 TRP 4 -4.410 6.639 -2.377 25 HZ3 TRP 4 HZ3 TRP 4 -8.402 7.452 -1.186 26 HH2 TRP 4 2HH TRP 4 -6.026 7.967 -1.124 27 H HIS 5 HN HIS 5 -9.935 4.552 -7.230 28 HA HIS 5 HA HIS 5 -9.217 6.146 -8.749 29 HB2 HIS 5 HB2 HIS 5 -6.602 5.698 -7.282 30 HB3 HIS 5 HB1 HIS 5 -6.797 6.935 -8.506 31 HD1 HIS 5 HD1 HIS 5 -6.768 9.082 -7.220 32 HD2 HIS 5 HD2 HIS 5 -9.068 6.185 -5.349 33 HE1 HIS 5 HE1 HIS 5 -7.701 10.164 -5.138 34 H HIS 6 HN HIS 6 -9.091 3.288 -9.314 35 HA HIS 6 HA HIS 6 -8.657 1.865 -10.954 36 HB2 HIS 6 HB2 HIS 6 -7.371 4.231 -12.350 37 HB3 HIS 6 HB1 HIS 6 -7.564 2.648 -13.097 38 HD1 HIS 6 HD1 HIS 6 -9.915 2.034 -13.941 39 HD2 HIS 6 HD2 HIS 6 -9.740 5.694 -11.987 40 HE1 HIS 6 HE1 HIS 6 -12.140 3.163 -14.363 41 H SER 7 HN SER 7 -6.583 2.779 -8.810 42 HA SER 7 HA SER 7 -4.293 1.373 -9.928 43 HB2 SER 7 HB2 SER 7 -4.549 2.957 -7.352 44 HB3 SER 7 HB1 SER 7 -3.055 2.342 -8.060 45 HG SER 7 HG SER 7 -3.950 3.694 -9.973 46 H CYS 8 HN CYS 8 -4.684 -0.748 -9.668 47 HA CYS 8 HA CYS 8 -6.025 -1.669 -7.272 48 HB2 CYS 8 HB2 CYS 8 -5.204 -3.236 -9.719 49 HB3 CYS 8 HB1 CYS 8 -6.198 -3.819 -8.396 50 H VAL 9 HN VAL 9 -4.872 -2.111 -5.579 51 HA VAL 9 HA VAL 9 -2.075 -2.814 -5.819 52 HB VAL 9 HB VAL 9 -3.813 -2.142 -3.409 53 HG11 VAL 9 HG11 VAL 9 -1.912 -3.534 -2.788 54 HG12 VAL 9 HG12 VAL 9 -1.722 -1.891 -2.176 55 HG13 VAL 9 3HG1 VAL 9 -0.819 -2.413 -3.598 56 HG21 VAL 9 HG21 VAL 9 -2.651 0.017 -3.400 57 HG22 VAL 9 HG22 VAL 9 -3.559 -0.231 -4.892 58 HG23 VAL 9 HG23 VAL 9 -1.808 -0.435 -4.881 59 HA PRO 10 HA PRO 10 -3.616 -7.008 -5.483 60 HB2 PRO 10 HB2 PRO 10 -1.244 -8.278 -5.699 61 HB3 PRO 10 HB1 PRO 10 -2.048 -7.528 -7.083 62 HG2 PRO 10 HG2 PRO 10 0.192 -6.477 -5.400 63 HG3 PRO 10 HG1 PRO 10 0.005 -6.434 -7.161 64 HD2 PRO 10 HD2 PRO 10 -0.540 -4.316 -5.555 65 HD3 PRO 10 HD1 PRO 10 -1.384 -4.602 -7.091 66 H SER 11 HN SER 11 -3.902 -8.455 -3.888 67 HA SER 11 HA SER 11 -3.125 -7.899 -1.261 68 HB2 SER 11 HB2 SER 11 -4.158 -10.190 -0.883 69 HB3 SER 11 HB1 SER 11 -5.193 -9.000 -1.676 70 HG SER 11 HG SER 11 -3.584 -10.752 -3.179 71 H GLY 12 HN GLY 12 -0.950 -8.010 -0.763 72 HA2 GLY 12 HA2 GLY 12 0.435 -10.095 -0.059 73 HA3 GLY 12 HA1 GLY 12 0.566 -10.266 -1.805 74 H THR 13 HN THR 13 0.495 -7.245 -1.982 75 HA THR 13 HA THR 13 3.321 -7.016 -1.767 76 HB THR 13 HB THR 13 2.267 -6.007 -3.724 77 HG1 THR 13 HG1 THR 13 2.981 -3.661 -3.101 78 HG21 THR 13 HG21 THR 13 0.905 -4.126 -1.796 79 HG22 THR 13 HG22 THR 13 0.113 -5.375 -2.755 80 HG23 THR 13 HG23 THR 13 0.870 -3.998 -3.554 81 H CYS 14 HN CYS 14 4.334 -6.487 -0.110 82 HA CYS 14 HA CYS 14 3.233 -4.566 1.774 83 HB2 CYS 14 HB2 CYS 14 4.670 -7.139 2.521 84 HB3 CYS 14 HB1 CYS 14 4.084 -5.924 3.654 85 H ALA 15 HN ALA 15 4.502 -2.887 1.567 86 HA ALA 15 HA ALA 15 7.382 -3.303 1.338 87 HB1 ALA 15 HB1 ALA 15 7.534 -1.735 -0.503 88 HB2 ALA 15 HB2 ALA 15 5.784 -1.529 -0.495 89 HB3 ALA 15 HB3 ALA 15 6.481 -3.084 -0.940 90 H ASP 16 HN ASP 16 8.536 -1.219 1.581 91 HA ASP 16 HA ASP 16 7.211 0.348 3.615 92 HB2 ASP 16 HB2 ASP 16 9.474 1.241 4.129 93 HB3 ASP 16 HB1 ASP 16 9.383 -0.504 4.294 94 H PHE 17 HN PHE 17 6.548 2.222 3.320 95 HA PHE 17 HA PHE 17 7.081 3.579 0.780 96 HB2 PHE 17 HB2 PHE 17 4.691 3.673 2.657 97 HB3 PHE 17 HB1 PHE 17 4.871 4.741 1.275 98 HD1 PHE 17 HD1 PHE 17 4.524 1.185 2.263 99 HD2 PHE 17 HD2 PHE 17 4.233 4.026 -0.890 100 HE1 PHE 17 HE1 PHE 17 3.460 -0.510 0.840 101 HE2 PHE 17 HE2 PHE 17 3.167 2.324 -2.312 102 HZ PHE 17 HZ PHE 17 2.782 0.064 -1.458 103 HA PRO 18 HA PRO 18 9.262 7.068 2.339 104 HB2 PRO 18 HB2 PRO 18 7.063 8.938 2.169 105 HB3 PRO 18 HB1 PRO 18 8.506 8.834 1.161 106 HG2 PRO 18 HG2 PRO 18 5.807 7.752 0.682 107 HG3 PRO 18 HG1 PRO 18 7.104 8.095 -0.472 108 HD2 PRO 18 HD2 PRO 18 6.399 5.585 0.121 109 HD3 PRO 18 HD1 PRO 18 8.096 6.020 -0.162 110 H TRP 19 HN TRP 19 9.765 7.282 4.352 111 HA TRP 19 HA TRP 19 8.243 6.833 6.652 112 HB2 TRP 19 HB2 TRP 19 10.796 7.017 6.301 113 HB3 TRP 19 HB1 TRP 19 10.563 8.746 6.510 114 HD1 TRP 19 HD1 TRP 19 9.789 9.554 8.893 115 HE1 TRP 19 HE1 TRP 19 10.049 8.466 11.266 116 HE3 TRP 19 3HE TRP 19 10.793 4.826 7.452 117 HZ2 TRP 19 HZ2 TRP 19 10.598 5.908 12.304 118 HZ3 TRP 19 HZ3 TRP 19 11.168 3.087 9.164 119 HH2 TRP 19 2HH TRP 19 11.073 3.628 11.540 120 HA PRO 20 HA PRO 20 7.796 7.363 8.643 121 HB2 PRO 20 HB2 PRO 20 5.836 7.946 10.281 122 HB3 PRO 20 HB1 PRO 20 7.238 9.019 10.152 123 HG2 PRO 20 HG2 PRO 20 4.510 9.320 8.976 124 HG3 PRO 20 HG1 PRO 20 5.546 10.554 9.710 125 HD2 PRO 20 HD2 PRO 20 5.289 10.034 6.964 126 HD3 PRO 20 HD1 PRO 20 6.589 10.972 7.723 127 H LEU 21 HN LEU 21 5.843 7.264 6.069 128 HA LEU 21 HA LEU 21 3.587 5.795 6.875 129 HB2 LEU 21 HB2 LEU 21 5.141 5.580 4.285 130 HB3 LEU 21 HB1 LEU 21 3.565 4.871 4.557 131 HG LEU 21 HG LEU 21 4.153 7.837 4.572 132 HD11 LEU 21 HD11 LEU 21 4.406 6.888 2.350 133 HD12 LEU 21 HD12 LEU 21 2.944 7.870 2.445 134 HD13 LEU 21 HD13 LEU 21 2.830 6.111 2.487 135 HD21 LEU 21 HD21 LEU 21 2.263 7.247 5.998 136 HD22 LEU 21 HD22 LEU 21 1.542 6.327 4.678 137 HD23 LEU 21 HD23 LEU 21 1.712 8.076 4.543 138 H GLY 22 HN GLY 22 6.705 4.606 5.660 139 HA2 GLY 22 HA2 GLY 22 7.967 2.868 6.461 140 HA3 GLY 22 HA1 GLY 22 6.775 2.648 7.729 141 H HIS 23 HN HIS 23 6.746 0.470 7.540 142 HA HIS 23 HA HIS 23 6.349 -0.808 5.022 143 HB2 HIS 23 HB2 HIS 23 7.669 -1.870 6.805 144 HB3 HIS 23 HB1 HIS 23 6.230 -1.958 7.815 145 HD1 HIS 23 HD1 HIS 23 4.948 -4.115 7.631 146 HD2 HIS 23 HD2 HIS 23 7.391 -3.421 4.344 147 HE1 HIS 23 HE1 HIS 23 4.810 -6.188 6.215 148 H GLN 24 HN GLN 24 4.551 -0.748 4.048 149 HA GLN 24 HA GLN 24 2.060 -0.965 5.557 150 HB2 GLN 24 HB2 GLN 24 2.553 0.100 2.774 151 HB3 GLN 24 HB1 GLN 24 0.978 -0.054 3.535 152 HG2 GLN 24 HG2 GLN 24 3.223 1.699 4.506 153 HG3 GLN 24 HG1 GLN 24 1.810 2.212 3.580 154 HE21 GLN 24 1HE2 GLN 24 2.785 2.887 6.292 155 HE22 GLN 24 2HE2 GLN 24 1.432 2.661 7.313 156 H CYS 25 HN CYS 25 1.409 -2.914 5.557 157 HA CYS 25 HA CYS 25 2.099 -4.676 3.337 158 HB2 CYS 25 HB2 CYS 25 2.794 -5.319 5.664 159 HB3 CYS 25 HB1 CYS 25 1.095 -5.399 6.096 160 H PHE 26 HN PHE 26 0.534 -5.134 1.930 161 HA PHE 26 HA PHE 26 -2.217 -4.713 2.832 162 HB2 PHE 26 HB2 PHE 26 -1.131 -4.469 0.015 163 HB3 PHE 26 HB1 PHE 26 -2.786 -4.165 0.513 164 HD1 PHE 26 HD1 PHE 26 0.443 -2.766 0.002 165 HD2 PHE 26 HD2 PHE 26 -3.177 -2.235 2.169 166 HE1 PHE 26 HE1 PHE 26 1.018 -0.403 0.374 167 HE2 PHE 26 HE2 PHE 26 -2.612 0.133 2.542 168 HZ PHE 26 HZ PHE 26 -0.512 1.051 1.643 169 HA PRO 27 HA PRO 27 -2.004 -9.176 1.701 170 HB2 PRO 27 HB2 PRO 27 -3.493 -9.716 4.120 171 HB3 PRO 27 HB1 PRO 27 -1.841 -10.193 3.728 172 HG2 PRO 27 HG2 PRO 27 -2.451 -8.393 5.685 173 HG3 PRO 27 HG1 PRO 27 -0.925 -8.373 4.786 174 HD2 PRO 27 HD2 PRO 27 -3.394 -6.736 4.360 175 HD3 PRO 27 HD1 PRO 27 -1.691 -6.215 4.362 176 H ASP 28 HN ASP 28 -4.362 -6.902 2.408 177 HA ASP 28 HA ASP 28 -6.620 -8.615 1.743 178 HB2 ASP 28 HB2 ASP 28 -6.528 -5.677 2.477 179 HB3 ASP 28 HB1 ASP 28 -7.998 -6.568 2.126
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