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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
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4942 |
1g26 ![]() ![]() |
4656 | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H VAL 1 H VAL 1 -8.322 8.820 -0.729 2 HA VAL 1 HA VAL 1 -6.848 6.936 -0.586 3 HB VAL 1 HB VAL 1 -5.011 7.368 -2.118 4 1HG1 VAL 1 1HG1 VAL 1 -7.063 7.353 -3.294 5 2HG1 VAL 1 2HG1 VAL 1 -6.276 8.834 -3.841 6 3HG1 VAL 1 3HG1 VAL 1 -7.554 8.910 -2.629 7 1HG2 VAL 1 1HG2 VAL 1 -5.057 10.101 -2.633 8 2HG2 VAL 1 2HG2 VAL 1 -3.819 9.250 -1.709 9 3HG2 VAL 1 3HG2 VAL 1 -5.173 10.014 -0.876 10 H VAL 2 H VAL 2 -5.078 6.023 0.570 11 HA VAL 2 HA VAL 2 -3.991 7.753 2.740 12 HB VAL 2 HB VAL 2 -3.917 4.747 2.336 13 1HG1 VAL 2 1HG1 VAL 2 -2.407 6.157 4.042 14 2HG1 VAL 2 2HG1 VAL 2 -3.096 4.596 4.487 15 3HG1 VAL 2 3HG1 VAL 2 -3.883 6.086 5.004 16 1HG2 VAL 2 1HG2 VAL 2 -5.771 5.870 4.325 17 2HG2 VAL 2 2HG2 VAL 2 -6.039 4.599 3.133 18 3HG2 VAL 2 3HG2 VAL 2 -6.181 6.293 2.663 19 H HIS 3 H HIS 3 -2.404 8.790 1.247 20 HA HIS 3 HA HIS 3 -0.486 7.510 -0.347 21 1HB HIS 3 2HB HIS 3 0.916 9.552 0.336 22 2HB HIS 3 1HB HIS 3 -0.684 9.889 -0.324 23 HD1 HIS 3 HD1 HIS 3 -0.894 8.523 3.052 24 HD2 HIS 3 HD2 HIS 3 -0.402 12.315 1.393 25 HE1 HIS 3 HE1 HIS 3 -1.433 10.183 4.887 26 H CYS 4 H CYS 4 0.148 5.507 0.700 27 HA CYS 4 HA CYS 4 1.222 5.280 3.327 28 1HB CYS 4 2HB CYS 4 1.721 3.769 0.743 29 2HB CYS 4 1HB CYS 4 2.260 3.204 2.325 30 H ASP 5 H ASP 5 2.542 6.654 0.437 31 HA ASP 5 HA ASP 5 4.824 7.785 1.725 32 1HB ASP 5 2HB ASP 5 5.124 5.107 1.488 33 2HB ASP 5 1HB ASP 5 5.754 5.606 -0.082 34 H MET 6 H MET 6 6.614 8.106 -0.292 35 HA MET 6 HA MET 6 5.015 9.519 -2.347 36 1HB MET 6 2HB MET 6 7.903 9.457 -1.462 37 2HB MET 6 1HB MET 6 7.405 10.323 -2.917 38 1HG MET 6 2HG MET 6 5.554 11.291 -1.253 39 2HG MET 6 1HG MET 6 6.790 10.913 -0.054 40 1HE MET 6 1HE MET 6 5.959 13.246 0.150 41 2HE MET 6 2HE MET 6 5.912 14.371 -1.204 42 3HE MET 6 3HE MET 6 7.233 14.457 -0.042 43 H GLU 7 H GLU 7 5.752 6.431 -2.137 44 HA GLU 7 HA GLU 7 6.549 6.195 -5.021 45 1HB GLU 7 2HB GLU 7 7.633 5.034 -2.526 46 2HB GLU 7 1HB GLU 7 7.418 3.880 -3.843 47 1HG GLU 7 2HG GLU 7 9.459 4.640 -4.514 48 2HG GLU 7 1HG GLU 7 8.524 5.977 -5.186 49 H VAL 8 H VAL 8 4.069 5.795 -2.892 50 HA VAL 8 HA VAL 8 2.606 3.988 -4.648 51 HB VAL 8 HB VAL 8 4.174 2.502 -3.339 52 1HG1 VAL 8 1HG1 VAL 8 3.883 2.246 -0.976 53 2HG1 VAL 8 2HG1 VAL 8 2.431 3.247 -0.980 54 3HG1 VAL 8 3HG1 VAL 8 4.008 3.981 -1.268 55 1HG2 VAL 8 1HG2 VAL 8 2.574 0.936 -3.608 56 2HG2 VAL 8 2HG2 VAL 8 1.392 2.228 -3.820 57 3HG2 VAL 8 3HG2 VAL 8 1.689 1.560 -2.215 58 H ILE 9 H ILE 9 0.351 3.872 -4.021 59 HA ILE 9 HA ILE 9 -0.469 5.425 -1.617 60 HB ILE 9 HB ILE 9 -0.253 7.007 -3.504 61 1HG1 ILE 9 2HG1 ILE 9 -3.129 6.322 -2.807 62 2HG1 ILE 9 1HG1 ILE 9 -2.060 7.362 -1.866 63 1HG2 ILE 9 1HG2 ILE 9 -1.070 4.846 -5.032 64 2HG2 ILE 9 2HG2 ILE 9 -0.940 6.509 -5.606 65 3HG2 ILE 9 3HG2 ILE 9 -2.491 5.891 -5.038 66 1HD1 ILE 9 1HD1 ILE 9 -3.735 8.463 -3.543 67 2HD1 ILE 9 2HD1 ILE 9 -2.571 7.961 -4.768 68 3HD1 ILE 9 3HD1 ILE 9 -2.077 9.060 -3.480 69 H CYS 10 H CYS 10 -2.072 4.266 -0.624 70 HA CYS 10 HA CYS 10 -3.837 2.544 -2.334 71 1HB CYS 10 2HB CYS 10 -2.452 2.020 0.306 72 2HB CYS 10 1HB CYS 10 -3.774 1.010 -0.281 73 HA PRO 11 HA PRO 11 -6.987 4.839 -0.250 74 1HB PRO 11 2HB PRO 11 -9.128 3.333 -1.047 75 2HB PRO 11 1HB PRO 11 -8.305 4.490 -2.111 76 1HG PRO 11 2HG PRO 11 -8.084 1.536 -2.002 77 2HG PRO 11 1HG PRO 11 -8.027 2.622 -3.395 78 1HD PRO 11 2HD PRO 11 -5.817 1.473 -2.237 79 2HD PRO 11 1HD PRO 11 -5.786 2.976 -3.184 80 H ASP 12 H ASP 12 -8.340 4.594 1.588 81 HA ASP 12 HA ASP 12 -7.627 3.095 3.741 82 1HB ASP 12 2HB ASP 12 -10.207 3.165 4.244 83 2HB ASP 12 1HB ASP 12 -9.325 4.680 4.056 84 H GLY 13 H GLY 13 -9.932 1.973 1.264 85 1HA GLY 13 2HA GLY 13 -10.546 -0.524 2.478 86 2HA GLY 13 1HA GLY 13 -10.730 -0.169 0.765 87 H TYR 14 H TYR 14 -7.519 0.409 1.315 88 HA TYR 14 HA TYR 14 -6.834 -2.461 0.770 89 1HB TYR 14 2HB TYR 14 -5.877 0.130 -0.461 90 2HB TYR 14 1HB TYR 14 -5.045 -1.407 -0.713 91 HD1 TYR 14 HD1 TYR 14 -5.686 -2.717 -2.529 92 HD2 TYR 14 HD2 TYR 14 -8.519 0.010 -0.796 93 HE1 TYR 14 HE1 TYR 14 -7.345 -3.341 -4.264 94 HE2 TYR 14 HE2 TYR 14 -10.179 -0.616 -2.532 95 HH TYR 14 HH TYR 14 -9.624 -1.830 -5.253 96 H THR 15 H THR 15 -4.752 -3.165 1.494 97 HA THR 15 HA THR 15 -3.645 -1.554 3.760 98 HB THR 15 HB THR 15 -3.016 -3.678 4.681 99 HG1 THR 15 HG1 THR 15 -2.671 -5.385 3.470 100 1HG2 THR 15 1HG2 THR 15 -5.442 -3.204 4.774 101 2HG2 THR 15 2HG2 THR 15 -5.127 -4.936 4.669 102 3HG2 THR 15 3HG2 THR 15 -5.658 -4.049 3.241 103 H CYS 16 H CYS 16 -1.488 -0.926 3.671 104 HA CYS 16 HA CYS 16 -0.039 -1.386 1.132 105 1HB CYS 16 2HB CYS 16 0.050 0.464 3.470 106 2HB CYS 16 1HB CYS 16 1.561 0.204 2.599 107 H CYS 17 H CYS 17 1.890 -2.553 0.995 108 HA CYS 17 HA CYS 17 2.959 -3.763 3.517 109 1HB CYS 17 2HB CYS 17 1.424 -5.033 1.530 110 2HB CYS 17 1HB CYS 17 3.084 -5.541 1.221 111 HG CYS 17 HG CYS 17 1.463 -6.172 3.788 112 H ARG 18 H ARG 18 5.233 -4.170 3.437 113 HA ARG 18 HA ARG 18 6.647 -2.771 1.208 114 1HB ARG 18 2HB ARG 18 6.836 -2.854 4.059 115 2HB ARG 18 1HB ARG 18 8.334 -3.514 3.402 116 1HG ARG 18 2HG ARG 18 7.686 -1.269 1.804 117 2HG ARG 18 1HG ARG 18 7.467 -0.769 3.482 118 1HD ARG 18 2HD ARG 18 9.895 -2.382 3.065 119 2HD ARG 18 1HD ARG 18 9.903 -0.837 2.189 120 HE ARG 18 HE ARG 18 8.987 -0.723 4.995 121 1HH1 ARG 18 1HH2 ARG 18 11.995 -1.462 4.252 122 2HH1 ARG 18 2HH2 ARG 18 12.726 0.080 4.552 123 1HH2 ARG 18 2HH1 ARG 18 9.705 1.777 4.702 124 2HH2 ARG 18 1HH1 ARG 18 11.428 1.914 4.808 125 H LEU 19 H LEU 19 7.822 -3.990 -0.231 126 HA LEU 19 HA LEU 19 7.852 -6.876 -0.088 127 1HB LEU 19 2HB LEU 19 8.514 -4.723 -1.887 128 2HB LEU 19 1HB LEU 19 9.822 -5.906 -1.888 129 HG LEU 19 HG LEU 19 7.551 -7.491 -1.912 130 1HD1 LEU 19 1HD1 LEU 19 5.831 -6.424 -2.901 131 2HD1 LEU 19 2HD1 LEU 19 6.876 -5.838 -4.194 132 3HD1 LEU 19 3HD1 LEU 19 6.724 -4.916 -2.698 133 1HD2 LEU 19 1HD2 LEU 19 8.557 -8.307 -3.785 134 2HD2 LEU 19 2HD2 LEU 19 9.832 -7.149 -3.405 135 3HD2 LEU 19 3HD2 LEU 19 8.578 -6.729 -4.572 136 HA PRO 20 HA PRO 20 11.597 -7.629 2.066 137 1HB PRO 20 2HB PRO 20 12.740 -9.652 0.622 138 2HB PRO 20 1HB PRO 20 11.296 -9.880 1.628 139 1HG PRO 20 2HG PRO 20 11.520 -9.571 -1.318 140 2HG PRO 20 1HG PRO 20 10.414 -10.574 -0.366 141 1HD PRO 20 2HD PRO 20 9.727 -8.180 -1.526 142 2HD PRO 20 1HD PRO 20 8.900 -8.889 -0.123 143 H SER 21 H SER 21 11.644 -6.142 -0.902 144 HA SER 21 HA SER 21 14.633 -5.869 -0.860 145 1HB SER 21 2HB SER 21 12.863 -6.794 -2.857 146 2HB SER 21 1HB SER 21 13.380 -5.193 -3.379 147 HG SER 21 HG SER 21 14.794 -7.538 -3.154 148 H GLY 22 H GLY 22 12.627 -4.217 0.588 149 1HA GLY 22 2HA GLY 22 12.358 -1.926 1.039 150 2HA GLY 22 1HA GLY 22 13.629 -1.615 -0.144 151 H ALA 23 H ALA 23 10.722 -3.414 -0.949 152 HA ALA 23 HA ALA 23 9.962 -1.191 -2.805 153 1HB ALA 23 1HB ALA 23 8.581 -3.455 -3.557 154 2HB ALA 23 2HB ALA 23 10.061 -4.134 -2.880 155 3HB ALA 23 3HB ALA 23 10.149 -2.976 -4.209 156 H TRP 24 H TRP 24 7.389 -1.631 -3.322 157 HA TRP 24 HA TRP 24 5.958 -1.884 -0.707 158 1HB TRP 24 2HB TRP 24 6.209 0.427 -2.580 159 2HB TRP 24 1HB TRP 24 4.637 0.172 -1.821 160 HD1 TRP 24 HD1 TRP 24 7.878 1.761 -1.210 161 HE1 TRP 24 HE1 TRP 24 8.153 2.379 1.277 162 HE3 TRP 24 HE3 TRP 24 4.015 -0.912 0.796 163 HZ2 TRP 24 HZ2 TRP 24 6.902 1.815 3.786 164 HZ3 TRP 24 HZ3 TRP 24 3.581 -0.855 3.236 165 HH2 TRP 24 HH2 TRP 24 5.017 0.504 4.732 166 H GLY 25 H GLY 25 3.811 -2.650 -0.921 167 1HA GLY 25 2HA GLY 25 2.775 -3.154 -3.657 168 2HA GLY 25 1HA GLY 25 2.977 -4.539 -2.583 169 H CYS 26 H CYS 26 0.445 -3.589 -3.633 170 HA CYS 26 HA CYS 26 -0.861 -2.648 -1.099 171 1HB CYS 26 2HB CYS 26 -0.776 -1.272 -3.344 172 2HB CYS 26 1HB CYS 26 -2.052 -2.382 -3.846 173 H CYS 27 H CYS 27 -2.465 -3.955 -0.272 174 HA CYS 27 HA CYS 27 -3.606 -6.095 -2.016 175 1HB CYS 27 2HB CYS 27 -1.732 -6.345 0.174 176 2HB CYS 27 1HB CYS 27 -3.238 -7.174 0.569 177 HG CYS 27 HG CYS 27 -1.289 -7.974 -1.682 178 HA PRO 28 HA PRO 28 -7.178 -4.382 0.035 179 1HB PRO 28 2HB PRO 28 -9.031 -5.957 -1.216 180 2HB PRO 28 1HB PRO 28 -8.272 -4.554 -1.994 181 1HG PRO 28 2HG PRO 28 -7.670 -7.449 -2.310 182 2HG PRO 28 1HG PRO 28 -7.670 -6.156 -3.519 183 1HD PRO 28 2HD PRO 28 -5.406 -7.175 -2.373 184 2HD PRO 28 1HD PRO 28 -5.530 -5.529 -3.035 185 H PHE 29 H PHE 29 -8.935 -5.297 1.453 186 HA PHE 29 HA PHE 29 -8.131 -7.945 2.618 187 1HB PHE 29 2HB PHE 29 -8.022 -5.439 3.745 188 2HB PHE 29 1HB PHE 29 -9.600 -6.004 4.291 189 HD1 PHE 29 HD1 PHE 29 -9.779 -7.566 6.054 190 HD2 PHE 29 HD2 PHE 29 -6.002 -6.990 4.092 191 HE1 PHE 29 HE1 PHE 29 -8.678 -8.999 7.752 192 HE2 PHE 29 HE2 PHE 29 -4.901 -8.423 5.790 193 HZ PHE 29 HZ PHE 29 -6.239 -9.427 7.621 194 H THR 30 H THR 30 -10.020 -7.839 0.509 195 HA THR 30 HA THR 30 -12.666 -8.091 1.884 196 HB THR 30 HB THR 30 -13.368 -8.093 -0.635 197 HG1 THR 30 HG1 THR 30 -11.818 -7.794 -2.005 198 1HG2 THR 30 1HG2 THR 30 -14.005 -6.089 0.196 199 2HG2 THR 30 2HG2 THR 30 -12.518 -5.463 -0.517 200 3HG2 THR 30 3HG2 THR 30 -12.547 -5.945 1.179 201 H GLN 31 H GLN 31 -12.125 -10.255 2.732 202 HA GLN 31 HA GLN 31 -11.966 -12.380 0.622 203 1HB GLN 31 2HB GLN 31 -11.307 -12.568 3.574 204 2HB GLN 31 1HB GLN 31 -10.829 -13.684 2.293 205 1HG GLN 31 2HG GLN 31 -9.870 -11.251 1.383 206 2HG GLN 31 1HG GLN 31 -9.586 -11.164 3.122 207 1HE2 GLN 31 1HE2 GLN 31 -7.705 -12.182 3.837 208 2HE2 GLN 31 2HE2 GLN 31 -6.862 -13.379 2.978 Start of MODEL 2 1 H VAL 1 H VAL 1 -7.800 10.653 -0.326 2 HA VAL 1 HA VAL 1 -7.593 8.268 -0.097 3 HB VAL 1 HB VAL 1 -4.928 8.360 -1.473 4 1HG1 VAL 1 1HG1 VAL 1 -7.080 6.502 -2.284 5 2HG1 VAL 1 2HG1 VAL 1 -6.559 6.352 -0.606 6 3HG1 VAL 1 3HG1 VAL 1 -5.388 6.172 -1.913 7 1HG2 VAL 1 1HG2 VAL 1 -6.444 8.144 -3.645 8 2HG2 VAL 1 2HG2 VAL 1 -5.949 9.729 -3.053 9 3HG2 VAL 1 3HG2 VAL 1 -7.563 9.117 -2.691 10 H VAL 2 H VAL 2 -5.184 6.908 0.523 11 HA VAL 2 HA VAL 2 -4.269 8.457 2.923 12 HB VAL 2 HB VAL 2 -3.931 6.221 3.912 13 1HG1 VAL 2 1HG1 VAL 2 -6.130 7.156 4.214 14 2HG1 VAL 2 2HG1 VAL 2 -6.343 5.453 3.809 15 3HG1 VAL 2 3HG1 VAL 2 -6.613 6.691 2.584 16 1HG2 VAL 2 1HG2 VAL 2 -3.686 4.406 2.598 17 2HG2 VAL 2 2HG2 VAL 2 -3.900 5.438 1.184 18 3HG2 VAL 2 3HG2 VAL 2 -5.295 4.650 1.920 19 H HIS 3 H HIS 3 -2.597 9.458 1.475 20 HA HIS 3 HA HIS 3 -0.668 8.264 -0.093 21 1HB HIS 3 2HB HIS 3 -0.887 10.575 1.704 22 2HB HIS 3 1HB HIS 3 0.775 10.036 1.472 23 HD1 HIS 3 HD1 HIS 3 0.827 9.183 -1.409 24 HD2 HIS 3 HD2 HIS 3 -1.215 12.595 -0.153 25 HE1 HIS 3 HE1 HIS 3 0.598 10.672 -3.445 26 H CYS 4 H CYS 4 0.759 6.606 0.251 27 HA CYS 4 HA CYS 4 1.353 5.797 3.061 28 1HB CYS 4 2HB CYS 4 0.649 4.463 0.678 29 2HB CYS 4 1HB CYS 4 2.340 4.052 0.966 30 H ASP 5 H ASP 5 2.939 6.592 -0.028 31 HA ASP 5 HA ASP 5 5.400 7.301 1.491 32 1HB ASP 5 2HB ASP 5 5.326 5.473 -0.931 33 2HB ASP 5 1HB ASP 5 6.758 5.925 -0.007 34 H MET 6 H MET 6 7.038 7.915 -0.638 35 HA MET 6 HA MET 6 6.069 10.437 -1.548 36 1HB MET 6 2HB MET 6 8.450 9.579 -1.324 37 2HB MET 6 1HB MET 6 8.187 8.680 -2.819 38 1HG MET 6 2HG MET 6 7.345 11.453 -3.086 39 2HG MET 6 1HG MET 6 9.040 11.335 -2.615 40 1HE MET 6 1HE MET 6 10.729 9.222 -5.165 41 2HE MET 6 2HE MET 6 9.654 8.245 -4.170 42 3HE MET 6 3HE MET 6 10.517 9.603 -3.451 43 H GLU 7 H GLU 7 6.428 7.346 -3.330 44 HA GLU 7 HA GLU 7 4.386 8.358 -5.283 45 1HB GLU 7 2HB GLU 7 5.703 7.267 -7.018 46 2HB GLU 7 1HB GLU 7 6.775 8.307 -6.079 47 1HG GLU 7 2HG GLU 7 6.684 5.761 -4.790 48 2HG GLU 7 1HG GLU 7 6.986 5.487 -6.506 49 H VAL 8 H VAL 8 3.224 7.035 -3.315 50 HA VAL 8 HA VAL 8 2.329 4.533 -4.510 51 HB VAL 8 HB VAL 8 4.534 4.629 -2.595 52 1HG1 VAL 8 1HG1 VAL 8 3.748 2.630 -1.273 53 2HG1 VAL 8 2HG1 VAL 8 2.126 2.921 -1.906 54 3HG1 VAL 8 3HG1 VAL 8 2.903 4.129 -0.882 55 1HG2 VAL 8 1HG2 VAL 8 3.539 3.051 -4.785 56 2HG2 VAL 8 2HG2 VAL 8 3.939 1.989 -3.435 57 3HG2 VAL 8 3HG2 VAL 8 5.161 3.077 -4.092 58 H ILE 9 H ILE 9 0.161 4.635 -4.068 59 HA ILE 9 HA ILE 9 -0.690 5.567 -1.343 60 HB ILE 9 HB ILE 9 -1.830 6.230 -4.076 61 1HG1 ILE 9 2HG1 ILE 9 -1.185 8.466 -2.362 62 2HG1 ILE 9 1HG1 ILE 9 0.225 7.419 -2.536 63 1HG2 ILE 9 1HG2 ILE 9 -2.769 7.085 -1.321 64 2HG2 ILE 9 2HG2 ILE 9 -3.590 5.913 -2.353 65 3HG2 ILE 9 3HG2 ILE 9 -3.461 7.598 -2.860 66 1HD1 ILE 9 1HD1 ILE 9 0.566 8.404 -4.537 67 2HD1 ILE 9 2HD1 ILE 9 -1.017 9.180 -4.499 68 3HD1 ILE 9 3HD1 ILE 9 -0.857 7.532 -5.106 69 H CYS 10 H CYS 10 -2.878 4.759 -0.752 70 HA CYS 10 HA CYS 10 -3.750 2.325 -2.264 71 1HB CYS 10 2HB CYS 10 -2.296 2.345 0.109 72 2HB CYS 10 1HB CYS 10 -3.960 2.138 0.654 73 HA PRO 11 HA PRO 11 -7.622 4.386 -1.724 74 1HB PRO 11 2HB PRO 11 -9.252 2.351 -2.556 75 2HB PRO 11 1HB PRO 11 -8.306 3.365 -3.664 76 1HG PRO 11 2HG PRO 11 -7.752 0.628 -2.670 77 2HG PRO 11 1HG PRO 11 -7.460 1.324 -4.266 78 1HD PRO 11 2HD PRO 11 -5.511 0.956 -2.384 79 2HD PRO 11 1HD PRO 11 -5.440 2.197 -3.655 80 H ASP 12 H ASP 12 -6.667 3.666 0.712 81 HA ASP 12 HA ASP 12 -7.321 3.062 2.893 82 1HB ASP 12 2HB ASP 12 -9.082 4.609 2.421 83 2HB ASP 12 1HB ASP 12 -9.924 3.441 1.403 84 H GLY 13 H GLY 13 -9.994 1.449 1.205 85 1HA GLY 13 2HA GLY 13 -10.244 -0.836 2.659 86 2HA GLY 13 1HA GLY 13 -10.426 -0.864 0.907 87 H TYR 14 H TYR 14 -7.549 -0.136 0.512 88 HA TYR 14 HA TYR 14 -6.486 -2.887 0.774 89 1HB TYR 14 2HB TYR 14 -5.660 -0.354 -0.662 90 2HB TYR 14 1HB TYR 14 -4.680 -1.822 -0.690 91 HD1 TYR 14 HD1 TYR 14 -5.083 -3.414 -2.348 92 HD2 TYR 14 HD2 TYR 14 -8.210 -0.690 -1.230 93 HE1 TYR 14 HE1 TYR 14 -6.533 -4.349 -4.130 94 HE2 TYR 14 HE2 TYR 14 -9.663 -1.628 -3.011 95 HH TYR 14 HH TYR 14 -9.465 -2.840 -5.092 96 H THR 15 H THR 15 -4.243 -3.186 1.565 97 HA THR 15 HA THR 15 -3.525 -1.200 3.698 98 HB THR 15 HB THR 15 -4.297 -3.189 4.744 99 HG1 THR 15 HG1 THR 15 -2.206 -4.245 5.334 100 1HG2 THR 15 1HG2 THR 15 -3.163 -5.428 3.922 101 2HG2 THR 15 2HG2 THR 15 -2.942 -4.520 2.426 102 3HG2 THR 15 3HG2 THR 15 -4.564 -4.777 3.071 103 H CYS 16 H CYS 16 -1.316 -0.659 3.869 104 HA CYS 16 HA CYS 16 0.320 -1.099 1.482 105 1HB CYS 16 2HB CYS 16 0.292 0.547 3.941 106 2HB CYS 16 1HB CYS 16 1.900 0.163 3.326 107 H CYS 17 H CYS 17 2.117 -2.447 1.324 108 HA CYS 17 HA CYS 17 3.122 -3.825 3.759 109 1HB CYS 17 2HB CYS 17 1.272 -4.913 1.844 110 2HB CYS 17 1HB CYS 17 2.797 -5.789 1.722 111 HG CYS 17 HG CYS 17 1.171 -5.527 4.385 112 H ARG 18 H ARG 18 5.315 -3.513 3.602 113 HA ARG 18 HA ARG 18 6.650 -2.899 1.103 114 1HB ARG 18 2HB ARG 18 7.232 -3.177 3.979 115 2HB ARG 18 1HB ARG 18 8.592 -3.584 2.934 116 1HG ARG 18 2HG ARG 18 7.419 -1.248 1.842 117 2HG ARG 18 1HG ARG 18 7.539 -0.981 3.581 118 1HD ARG 18 2HD ARG 18 9.953 -1.751 3.449 119 2HD ARG 18 1HD ARG 18 9.790 -1.718 1.682 120 HE ARG 18 HE ARG 18 9.223 0.696 3.365 121 1HH1 ARG 18 1HH2 ARG 18 9.329 -0.364 0.218 122 2HH1 ARG 18 2HH2 ARG 18 10.431 0.842 -0.356 123 1HH2 ARG 18 2HH1 ARG 18 11.180 2.042 2.810 124 2HH2 ARG 18 1HH1 ARG 18 11.479 2.205 1.112 125 H LEU 19 H LEU 19 8.100 -4.262 -0.078 126 HA LEU 19 HA LEU 19 7.495 -7.148 0.115 127 1HB LEU 19 2HB LEU 19 8.348 -5.189 -1.851 128 2HB LEU 19 1HB LEU 19 9.374 -6.624 -1.912 129 HG LEU 19 HG LEU 19 6.869 -7.727 -1.645 130 1HD1 LEU 19 1HD1 LEU 19 5.284 -6.274 -2.312 131 2HD1 LEU 19 2HD1 LEU 19 6.117 -6.085 -3.855 132 3HD1 LEU 19 3HD1 LEU 19 6.510 -5.020 -2.505 133 1HD2 LEU 19 1HD2 LEU 19 7.229 -7.595 -4.385 134 2HD2 LEU 19 2HD2 LEU 19 7.987 -8.779 -3.319 135 3HD2 LEU 19 3HD2 LEU 19 8.858 -7.313 -3.769 136 HA PRO 20 HA PRO 20 11.293 -8.390 1.930 137 1HB PRO 20 2HB PRO 20 12.060 -10.526 0.403 138 2HB PRO 20 1HB PRO 20 10.690 -10.588 1.528 139 1HG PRO 20 2HG PRO 20 10.696 -10.258 -1.427 140 2HG PRO 20 1HG PRO 20 9.583 -11.168 -0.395 141 1HD PRO 20 2HD PRO 20 9.010 -8.712 -1.452 142 2HD PRO 20 1HD PRO 20 8.294 -9.332 0.052 143 H SER 21 H SER 21 11.230 -7.062 -1.158 144 HA SER 21 HA SER 21 14.211 -7.146 -1.435 145 1HB SER 21 2HB SER 21 11.877 -6.814 -3.310 146 2HB SER 21 1HB SER 21 13.479 -6.262 -3.791 147 HG SER 21 HG SER 21 14.091 -8.269 -3.996 148 H GLY 22 H GLY 22 12.508 -5.358 0.340 149 1HA GLY 22 2HA GLY 22 12.616 -3.120 1.040 150 2HA GLY 22 1HA GLY 22 13.956 -2.915 -0.088 151 H ALA 23 H ALA 23 10.486 -3.689 -0.551 152 HA ALA 23 HA ALA 23 10.264 -1.227 -2.240 153 1HB ALA 23 1HB ALA 23 8.988 -3.830 -3.038 154 2HB ALA 23 2HB ALA 23 10.693 -3.555 -3.394 155 3HB ALA 23 3HB ALA 23 9.468 -2.474 -4.057 156 H TRP 24 H TRP 24 7.685 -1.284 -2.953 157 HA TRP 24 HA TRP 24 6.169 -1.640 -0.385 158 1HB TRP 24 2HB TRP 24 6.455 0.561 -2.359 159 2HB TRP 24 1HB TRP 24 4.828 0.295 -1.734 160 HD1 TRP 24 HD1 TRP 24 7.654 2.323 -0.995 161 HE1 TRP 24 HE1 TRP 24 7.785 2.970 1.497 162 HE3 TRP 24 HE3 TRP 24 4.398 -1.083 0.970 163 HZ2 TRP 24 HZ2 TRP 24 6.654 2.151 3.995 164 HZ3 TRP 24 HZ3 TRP 24 3.942 -1.127 3.406 165 HH2 TRP 24 HH2 TRP 24 5.064 0.484 4.919 166 H GLY 25 H GLY 25 4.034 -2.458 -0.578 167 1HA GLY 25 2HA GLY 25 2.948 -3.041 -3.257 168 2HA GLY 25 1HA GLY 25 3.341 -4.451 -2.271 169 H CYS 26 H CYS 26 0.787 -2.651 -3.138 170 HA CYS 26 HA CYS 26 -0.499 -2.529 -0.456 171 1HB CYS 26 2HB CYS 26 -0.699 -1.192 -3.042 172 2HB CYS 26 1HB CYS 26 -2.282 -1.704 -2.456 173 H CYS 27 H CYS 27 -1.917 -4.123 0.175 174 HA CYS 27 HA CYS 27 -2.978 -5.967 -1.946 175 1HB CYS 27 2HB CYS 27 -1.868 -6.512 0.821 176 2HB CYS 27 1HB CYS 27 -2.731 -7.723 -0.127 177 HG CYS 27 HG CYS 27 0.015 -7.632 -0.483 178 HA PRO 28 HA PRO 28 -6.935 -5.135 -0.224 179 1HB PRO 28 2HB PRO 28 -8.232 -7.448 -0.902 180 2HB PRO 28 1HB PRO 28 -7.815 -6.193 -2.087 181 1HG PRO 28 2HG PRO 28 -6.453 -8.775 -1.503 182 2HG PRO 28 1HG PRO 28 -6.721 -7.964 -3.054 183 1HD PRO 28 2HD PRO 28 -4.340 -7.927 -1.716 184 2HD PRO 28 1HD PRO 28 -4.864 -6.648 -2.834 185 H PHE 29 H PHE 29 -8.228 -5.699 1.627 186 HA PHE 29 HA PHE 29 -7.067 -7.876 3.339 187 1HB PHE 29 2HB PHE 29 -6.987 -5.185 3.761 188 2HB PHE 29 1HB PHE 29 -8.493 -5.595 4.584 189 HD1 PHE 29 HD1 PHE 29 -5.259 -7.443 4.149 190 HD2 PHE 29 HD2 PHE 29 -8.102 -5.744 6.883 191 HE1 PHE 29 HE1 PHE 29 -3.966 -8.355 6.058 192 HE2 PHE 29 HE2 PHE 29 -6.810 -6.657 8.793 193 HZ PHE 29 HZ PHE 29 -4.742 -7.962 8.381 194 H THR 30 H THR 30 -8.571 -9.130 4.542 195 HA THR 30 HA THR 30 -11.474 -8.644 3.995 196 HB THR 30 HB THR 30 -10.509 -11.448 4.023 197 HG1 THR 30 HG1 THR 30 -9.787 -9.569 2.036 198 1HG2 THR 30 1HG2 THR 30 -12.413 -11.748 2.845 199 2HG2 THR 30 2HG2 THR 30 -12.007 -10.457 1.715 200 3HG2 THR 30 3HG2 THR 30 -12.790 -10.073 3.248 201 H GLN 31 H GLN 31 -11.401 -7.861 6.282 202 HA GLN 31 HA GLN 31 -11.487 -10.155 8.207 203 1HB GLN 31 2HB GLN 31 -9.525 -8.162 8.016 204 2HB GLN 31 1HB GLN 31 -10.552 -7.643 9.353 205 1HG GLN 31 2HG GLN 31 -9.041 -9.051 10.443 206 2HG GLN 31 1HG GLN 31 -10.375 -10.154 10.100 207 1HE2 GLN 31 1HE2 GLN 31 -7.387 -8.952 8.450 208 2HE2 GLN 31 2HE2 GLN 31 -6.982 -10.458 7.780 Start of MODEL 3 1 H VAL 1 H VAL 1 -4.821 9.659 -1.077 2 HA VAL 1 HA VAL 1 -6.531 9.876 0.729 3 HB VAL 1 HB VAL 1 -6.676 6.911 0.107 4 1HG1 VAL 1 1HG1 VAL 1 -8.803 7.597 1.774 5 2HG1 VAL 1 2HG1 VAL 1 -7.416 8.413 2.497 6 3HG1 VAL 1 3HG1 VAL 1 -7.379 6.669 2.241 7 1HG2 VAL 1 1HG2 VAL 1 -7.936 9.157 -1.027 8 2HG2 VAL 1 2HG2 VAL 1 -9.145 8.435 0.034 9 3HG2 VAL 1 3HG2 VAL 1 -8.400 7.469 -1.239 10 H VAL 2 H VAL 2 -4.910 6.699 1.016 11 HA VAL 2 HA VAL 2 -3.593 7.663 3.506 12 HB VAL 2 HB VAL 2 -3.764 4.893 2.277 13 1HG1 VAL 2 1HG1 VAL 2 -2.630 6.040 4.752 14 2HG1 VAL 2 2HG1 VAL 2 -2.238 4.528 3.930 15 3HG1 VAL 2 3HG1 VAL 2 -3.638 4.614 4.999 16 1HG2 VAL 2 1HG2 VAL 2 -5.460 5.267 4.564 17 2HG2 VAL 2 2HG2 VAL 2 -5.921 4.817 2.922 18 3HG2 VAL 2 3HG2 VAL 2 -5.830 6.517 3.376 19 H HIS 3 H HIS 3 -2.151 8.999 1.960 20 HA HIS 3 HA HIS 3 -0.349 8.046 0.083 21 1HB HIS 3 2HB HIS 3 -0.312 10.129 2.228 22 2HB HIS 3 1HB HIS 3 1.192 9.814 1.361 23 HD1 HIS 3 HD1 HIS 3 0.855 9.800 -1.395 24 HD2 HIS 3 HD2 HIS 3 -1.973 11.867 0.866 25 HE1 HIS 3 HE1 HIS 3 -0.323 11.377 -2.988 26 H CYS 4 H CYS 4 0.705 6.081 0.316 27 HA CYS 4 HA CYS 4 1.917 5.325 2.908 28 1HB CYS 4 2HB CYS 4 0.640 3.843 1.194 29 2HB CYS 4 1HB CYS 4 2.136 3.883 0.262 30 H ASP 5 H ASP 5 2.837 6.630 -0.202 31 HA ASP 5 HA ASP 5 5.580 7.116 0.772 32 1HB ASP 5 2HB ASP 5 5.228 4.743 -0.331 33 2HB ASP 5 1HB ASP 5 5.260 5.659 -1.839 34 H MET 6 H MET 6 6.293 7.370 -2.218 35 HA MET 6 HA MET 6 5.455 10.161 -2.498 36 1HB MET 6 2HB MET 6 6.932 8.317 -4.402 37 2HB MET 6 1HB MET 6 6.953 10.080 -4.420 38 1HG MET 6 2HG MET 6 7.856 9.928 -2.017 39 2HG MET 6 1HG MET 6 8.146 8.222 -2.359 40 1HE MET 6 1HE MET 6 10.863 7.935 -4.751 41 2HE MET 6 2HE MET 6 9.220 8.011 -5.384 42 3HE MET 6 3HE MET 6 9.523 7.247 -3.825 43 H GLU 7 H GLU 7 4.978 7.177 -4.423 44 HA GLU 7 HA GLU 7 2.529 8.452 -5.605 45 1HB GLU 7 2HB GLU 7 4.856 6.966 -6.725 46 2HB GLU 7 1HB GLU 7 3.285 6.634 -7.454 47 1HG GLU 7 2HG GLU 7 3.053 8.778 -8.274 48 2HG GLU 7 1HG GLU 7 4.014 9.491 -6.978 49 H VAL 8 H VAL 8 3.607 6.061 -3.546 50 HA VAL 8 HA VAL 8 1.692 3.967 -4.379 51 HB VAL 8 HB VAL 8 3.543 4.217 -1.984 52 1HG1 VAL 8 1HG1 VAL 8 2.741 1.595 -3.134 53 2HG1 VAL 8 2HG1 VAL 8 1.493 2.478 -2.254 54 3HG1 VAL 8 3HG1 VAL 8 3.004 2.054 -1.451 55 1HG2 VAL 8 1HG2 VAL 8 4.065 2.563 -4.447 56 2HG2 VAL 8 2HG2 VAL 8 5.215 3.162 -3.251 57 3HG2 VAL 8 3HG2 VAL 8 4.501 4.272 -4.422 58 H ILE 9 H ILE 9 -0.189 5.559 -4.014 59 HA ILE 9 HA ILE 9 -0.863 5.770 -1.101 60 HB ILE 9 HB ILE 9 -2.080 7.731 -1.671 61 1HG1 ILE 9 2HG1 ILE 9 -1.846 6.847 -4.567 62 2HG1 ILE 9 1HG1 ILE 9 -3.312 6.790 -3.587 63 1HG2 ILE 9 1HG2 ILE 9 -0.478 9.089 -2.955 64 2HG2 ILE 9 2HG2 ILE 9 0.302 7.622 -3.548 65 3HG2 ILE 9 3HG2 ILE 9 0.372 8.025 -1.832 66 1HD1 ILE 9 1HD1 ILE 9 -2.193 9.022 -5.047 67 2HD1 ILE 9 2HD1 ILE 9 -2.335 9.419 -3.334 68 3HD1 ILE 9 3HD1 ILE 9 -3.755 8.898 -4.239 69 H CYS 10 H CYS 10 -2.500 4.461 -0.406 70 HA CYS 10 HA CYS 10 -4.266 3.185 -2.462 71 1HB CYS 10 2HB CYS 10 -2.886 2.358 0.013 72 2HB CYS 10 1HB CYS 10 -4.544 1.775 -0.116 73 HA PRO 11 HA PRO 11 -7.685 5.209 -0.572 74 1HB PRO 11 2HB PRO 11 -9.704 3.514 -1.283 75 2HB PRO 11 1HB PRO 11 -8.888 4.587 -2.435 76 1HG PRO 11 2HG PRO 11 -8.625 1.678 -2.062 77 2HG PRO 11 1HG PRO 11 -8.393 2.659 -3.512 78 1HD PRO 11 2HD PRO 11 -6.370 1.608 -1.870 79 2HD PRO 11 1HD PRO 11 -6.172 2.833 -3.139 80 H ASP 12 H ASP 12 -6.200 3.554 1.293 81 HA ASP 12 HA ASP 12 -6.521 2.712 3.478 82 1HB ASP 12 2HB ASP 12 -8.706 4.357 2.814 83 2HB ASP 12 1HB ASP 12 -9.418 2.903 3.513 84 H GLY 13 H GLY 13 -9.368 1.732 1.524 85 1HA GLY 13 2HA GLY 13 -9.911 -0.733 2.640 86 2HA GLY 13 1HA GLY 13 -10.078 -0.430 0.911 87 H TYR 14 H TYR 14 -7.091 0.114 0.755 88 HA TYR 14 HA TYR 14 -6.306 -2.737 0.452 89 1HB TYR 14 2HB TYR 14 -5.214 -0.075 -0.487 90 2HB TYR 14 1HB TYR 14 -4.393 -1.603 -0.800 91 HD1 TYR 14 HD1 TYR 14 -5.059 -2.993 -2.580 92 HD2 TYR 14 HD2 TYR 14 -7.641 0.175 -1.258 93 HE1 TYR 14 HE1 TYR 14 -6.555 -3.402 -4.519 94 HE2 TYR 14 HE2 TYR 14 -9.138 -0.233 -3.196 95 HH TYR 14 HH TYR 14 -9.671 -1.848 -4.797 96 H THR 15 H THR 15 -4.071 -3.350 1.121 97 HA THR 15 HA THR 15 -3.248 -1.941 3.635 98 HB THR 15 HB THR 15 -3.988 -4.144 4.147 99 HG1 THR 15 HG1 THR 15 -1.952 -3.737 5.023 100 1HG2 THR 15 1HG2 THR 15 -2.585 -4.875 1.584 101 2HG2 THR 15 2HG2 THR 15 -4.261 -5.168 2.049 102 3HG2 THR 15 3HG2 THR 15 -2.963 -6.103 2.791 103 H CYS 16 H CYS 16 -1.221 -1.073 3.630 104 HA CYS 16 HA CYS 16 0.466 -1.388 1.225 105 1HB CYS 16 2HB CYS 16 -0.234 0.737 2.649 106 2HB CYS 16 1HB CYS 16 1.147 0.262 3.636 107 H CYS 17 H CYS 17 1.590 -3.351 1.366 108 HA CYS 17 HA CYS 17 3.109 -3.874 3.897 109 1HB CYS 17 2HB CYS 17 1.555 -5.470 2.000 110 2HB CYS 17 1HB CYS 17 3.153 -6.156 2.293 111 HG CYS 17 HG CYS 17 2.502 -5.909 4.941 112 H ARG 18 H ARG 18 5.349 -3.974 3.757 113 HA ARG 18 HA ARG 18 6.575 -3.234 1.162 114 1HB ARG 18 2HB ARG 18 7.118 -2.970 4.022 115 2HB ARG 18 1HB ARG 18 8.546 -3.485 3.124 116 1HG ARG 18 2HG ARG 18 7.558 -1.548 1.466 117 2HG ARG 18 1HG ARG 18 7.105 -0.908 3.045 118 1HD ARG 18 2HD ARG 18 9.897 -1.736 2.175 119 2HD ARG 18 1HD ARG 18 9.339 -0.087 2.521 120 HE ARG 18 HE ARG 18 8.995 -0.789 4.876 121 1HH1 ARG 18 1HH2 ARG 18 11.540 -2.039 3.085 122 2HH1 ARG 18 2HH2 ARG 18 11.969 -3.272 4.222 123 1HH2 ARG 18 2HH1 ARG 18 9.191 -2.760 6.231 124 2HH2 ARG 18 1HH1 ARG 18 10.641 -3.679 6.003 125 H LEU 19 H LEU 19 7.672 -4.702 -0.086 126 HA LEU 19 HA LEU 19 7.611 -7.520 0.501 127 1HB LEU 19 2HB LEU 19 8.218 -5.724 -1.630 128 2HB LEU 19 1HB LEU 19 9.597 -6.808 -1.449 129 HG LEU 19 HG LEU 19 7.375 -8.481 -1.182 130 1HD1 LEU 19 1HD1 LEU 19 6.153 -7.958 -3.348 131 2HD1 LEU 19 2HD1 LEU 19 6.951 -6.385 -3.328 132 3HD1 LEU 19 3HD1 LEU 19 5.845 -6.830 -2.029 133 1HD2 LEU 19 1HD2 LEU 19 9.709 -8.330 -2.654 134 2HD2 LEU 19 2HD2 LEU 19 8.469 -8.255 -3.905 135 3HD2 LEU 19 3HD2 LEU 19 8.513 -9.619 -2.787 136 HA PRO 20 HA PRO 20 11.337 -8.133 2.738 137 1HB PRO 20 2HB PRO 20 12.407 -10.354 1.541 138 2HB PRO 20 1HB PRO 20 10.980 -10.416 2.595 139 1HG PRO 20 2HG PRO 20 11.130 -10.408 -0.384 140 2HG PRO 20 1HG PRO 20 10.082 -11.351 0.690 141 1HD PRO 20 2HD PRO 20 9.222 -9.145 -0.624 142 2HD PRO 20 1HD PRO 20 8.587 -9.627 0.966 143 H SER 21 H SER 21 11.370 -7.255 -0.519 144 HA SER 21 HA SER 21 14.347 -7.110 -0.662 145 1HB SER 21 2HB SER 21 12.171 -7.581 -2.482 146 2HB SER 21 1HB SER 21 13.060 -6.158 -3.016 147 HG SER 21 HG SER 21 14.339 -8.559 -2.231 148 H GLY 22 H GLY 22 12.549 -5.311 0.995 149 1HA GLY 22 2HA GLY 22 12.535 -3.031 1.561 150 2HA GLY 22 1HA GLY 22 13.877 -2.826 0.436 151 H ALA 23 H ALA 23 10.849 -4.206 -0.638 152 HA ALA 23 HA ALA 23 10.407 -1.751 -2.295 153 1HB ALA 23 1HB ALA 23 9.083 -4.366 -2.855 154 2HB ALA 23 2HB ALA 23 10.831 -4.285 -3.082 155 3HB ALA 23 3HB ALA 23 9.774 -3.196 -3.981 156 H TRP 24 H TRP 24 7.995 -1.435 -2.839 157 HA TRP 24 HA TRP 24 6.372 -1.816 -0.346 158 1HB TRP 24 2HB TRP 24 6.823 0.352 -2.311 159 2HB TRP 24 1HB TRP 24 5.143 0.137 -1.822 160 HD1 TRP 24 HD1 TRP 24 8.052 2.001 -0.836 161 HE1 TRP 24 HE1 TRP 24 7.953 2.704 1.643 162 HE3 TRP 24 HE3 TRP 24 4.320 -1.075 0.807 163 HZ2 TRP 24 HZ2 TRP 24 6.485 2.049 4.009 164 HZ3 TRP 24 HZ3 TRP 24 3.591 -1.014 3.175 165 HH2 TRP 24 HH2 TRP 24 4.669 0.543 4.776 166 H GLY 25 H GLY 25 4.167 -2.515 -0.611 167 1HA GLY 25 2HA GLY 25 3.229 -3.171 -3.332 168 2HA GLY 25 1HA GLY 25 3.476 -4.544 -2.255 169 H CYS 26 H CYS 26 1.264 -2.177 -3.230 170 HA CYS 26 HA CYS 26 -0.339 -2.283 -0.727 171 1HB CYS 26 2HB CYS 26 0.155 -0.366 -2.646 172 2HB CYS 26 1HB CYS 26 -1.420 -0.982 -3.147 173 H CYS 27 H CYS 27 -1.663 -4.055 -0.510 174 HA CYS 27 HA CYS 27 -3.039 -5.058 -2.988 175 1HB CYS 27 2HB CYS 27 -2.735 -7.333 -1.994 176 2HB CYS 27 1HB CYS 27 -1.199 -6.535 -2.330 177 HG CYS 27 HG CYS 27 -0.971 -5.990 0.216 178 HA PRO 28 HA PRO 28 -6.722 -4.667 -0.626 179 1HB PRO 28 2HB PRO 28 -8.276 -6.551 -1.860 180 2HB PRO 28 1HB PRO 28 -7.867 -4.997 -2.611 181 1HG PRO 28 2HG PRO 28 -6.688 -7.688 -3.072 182 2HG PRO 28 1HG PRO 28 -7.034 -6.394 -4.229 183 1HD PRO 28 2HD PRO 28 -4.538 -6.923 -3.253 184 2HD PRO 28 1HD PRO 28 -5.058 -5.320 -3.820 185 H PHE 29 H PHE 29 -7.815 -5.728 1.119 186 HA PHE 29 HA PHE 29 -7.125 -8.568 1.679 187 1HB PHE 29 2HB PHE 29 -5.359 -7.080 2.632 188 2HB PHE 29 1HB PHE 29 -6.601 -6.254 3.572 189 HD1 PHE 29 HD1 PHE 29 -4.890 -9.506 3.042 190 HD2 PHE 29 HD2 PHE 29 -7.511 -7.223 5.564 191 HE1 PHE 29 HE1 PHE 29 -4.708 -11.244 4.802 192 HE2 PHE 29 HE2 PHE 29 -7.331 -8.960 7.324 193 HZ PHE 29 HZ PHE 29 -5.930 -10.971 6.943 194 H THR 30 H THR 30 -9.628 -8.022 0.980 195 HA THR 30 HA THR 30 -11.151 -7.589 3.529 196 HB THR 30 HB THR 30 -11.418 -5.935 1.651 197 HG1 THR 30 HG1 THR 30 -13.818 -6.384 1.533 198 1HG2 THR 30 1HG2 THR 30 -12.151 -6.551 -0.452 199 2HG2 THR 30 2HG2 THR 30 -12.963 -8.001 0.141 200 3HG2 THR 30 3HG2 THR 30 -11.208 -7.980 -0.031 201 H GLN 31 H GLN 31 -10.528 -10.042 3.715 202 HA GLN 31 HA GLN 31 -12.878 -11.616 3.032 203 1HB GLN 31 2HB GLN 31 -11.683 -13.163 1.504 204 2HB GLN 31 1HB GLN 31 -11.711 -11.522 0.857 205 1HG GLN 31 2HG GLN 31 -9.467 -11.768 0.641 206 2HG GLN 31 1HG GLN 31 -9.416 -11.508 2.385 207 1HE2 GLN 31 1HE2 GLN 31 -7.707 -12.987 2.877 208 2HE2 GLN 31 2HE2 GLN 31 -7.835 -14.660 2.625 Start of MODEL 4 1 H VAL 1 H VAL 1 -7.140 9.524 2.121 2 HA VAL 1 HA VAL 1 -7.043 7.276 0.722 3 HB VAL 1 HB VAL 1 -5.155 7.448 -0.927 4 1HG1 VAL 1 1HG1 VAL 1 -7.676 9.030 -1.069 5 2HG1 VAL 1 2HG1 VAL 1 -7.131 7.689 -2.079 6 3HG1 VAL 1 3HG1 VAL 1 -6.483 9.310 -2.339 7 1HG2 VAL 1 1HG2 VAL 1 -5.169 10.250 0.160 8 2HG2 VAL 1 2HG2 VAL 1 -4.678 9.968 -1.511 9 3HG2 VAL 1 3HG2 VAL 1 -3.795 9.201 -0.191 10 H VAL 2 H VAL 2 -4.761 6.017 0.770 11 HA VAL 2 HA VAL 2 -3.511 6.713 3.400 12 HB VAL 2 HB VAL 2 -3.542 4.092 1.871 13 1HG1 VAL 2 1HG1 VAL 2 -1.777 4.429 3.628 14 2HG1 VAL 2 2HG1 VAL 2 -2.897 3.114 3.988 15 3HG1 VAL 2 3HG1 VAL 2 -3.068 4.668 4.806 16 1HG2 VAL 2 1HG2 VAL 2 -5.291 3.542 3.706 17 2HG2 VAL 2 2HG2 VAL 2 -5.823 4.514 2.333 18 3HG2 VAL 2 3HG2 VAL 2 -5.457 5.291 3.873 19 H HIS 3 H HIS 3 -1.756 8.030 2.799 20 HA HIS 3 HA HIS 3 -0.069 7.378 0.490 21 1HB HIS 3 2HB HIS 3 -0.257 9.459 2.633 22 2HB HIS 3 1HB HIS 3 1.279 9.285 1.785 23 HD1 HIS 3 HD1 HIS 3 1.248 9.679 -0.831 24 HD2 HIS 3 HD2 HIS 3 -2.320 10.614 1.112 25 HE1 HIS 3 HE1 HIS 3 -0.124 11.042 -2.468 26 H CYS 4 H CYS 4 0.751 5.247 1.059 27 HA CYS 4 HA CYS 4 2.237 4.896 3.573 28 1HB CYS 4 2HB CYS 4 1.583 3.239 1.133 29 2HB CYS 4 1HB CYS 4 2.695 2.644 2.367 30 H ASP 5 H ASP 5 2.986 6.531 0.822 31 HA ASP 5 HA ASP 5 5.852 6.426 1.328 32 1HB ASP 5 2HB ASP 5 4.871 4.355 -0.144 33 2HB ASP 5 1HB ASP 5 5.230 5.515 -1.423 34 H MET 6 H MET 6 6.823 7.386 -1.060 35 HA MET 6 HA MET 6 5.444 10.012 -1.259 36 1HB MET 6 2HB MET 6 8.124 9.018 -2.276 37 2HB MET 6 1HB MET 6 7.596 10.698 -2.234 38 1HG MET 6 2HG MET 6 7.348 10.498 0.254 39 2HG MET 6 1HG MET 6 8.044 8.881 0.151 40 1HE MET 6 1HE MET 6 10.027 8.538 0.914 41 2HE MET 6 2HE MET 6 11.553 9.323 0.515 42 3HE MET 6 3HE MET 6 10.674 8.439 -0.730 43 H GLU 7 H GLU 7 6.200 7.161 -3.189 44 HA GLU 7 HA GLU 7 5.107 8.522 -5.623 45 1HB GLU 7 2HB GLU 7 6.894 6.134 -5.123 46 2HB GLU 7 1HB GLU 7 6.202 6.466 -6.712 47 1HG GLU 7 2HG GLU 7 7.361 8.872 -5.576 48 2HG GLU 7 1HG GLU 7 8.554 7.573 -5.643 49 H VAL 8 H VAL 8 4.925 5.405 -3.848 50 HA VAL 8 HA VAL 8 2.469 4.691 -5.333 51 HB VAL 8 HB VAL 8 4.601 3.282 -4.449 52 1HG1 VAL 8 1HG1 VAL 8 3.688 3.801 -2.044 53 2HG1 VAL 8 2HG1 VAL 8 4.272 2.180 -2.418 54 3HG1 VAL 8 3HG1 VAL 8 2.540 2.513 -2.403 55 1HG2 VAL 8 1HG2 VAL 8 2.910 2.433 -5.984 56 2HG2 VAL 8 2HG2 VAL 8 1.746 2.288 -4.666 57 3HG2 VAL 8 3HG2 VAL 8 3.173 1.253 -4.701 58 H ILE 9 H ILE 9 0.410 4.773 -4.448 59 HA ILE 9 HA ILE 9 0.063 5.215 -1.533 60 HB ILE 9 HB ILE 9 -1.015 7.330 -1.819 61 1HG1 ILE 9 2HG1 ILE 9 -0.962 6.642 -4.770 62 2HG1 ILE 9 1HG1 ILE 9 -2.377 6.909 -3.750 63 1HG2 ILE 9 1HG2 ILE 9 0.714 8.692 -2.848 64 2HG2 ILE 9 2HG2 ILE 9 1.311 7.307 -3.764 65 3HG2 ILE 9 3HG2 ILE 9 1.483 7.344 -2.010 66 1HD1 ILE 9 1HD1 ILE 9 -2.322 9.062 -4.426 67 2HD1 ILE 9 2HD1 ILE 9 -0.735 8.856 -5.166 68 3HD1 ILE 9 3HD1 ILE 9 -0.864 9.240 -3.450 69 H CYS 10 H CYS 10 -1.751 4.113 -0.878 70 HA CYS 10 HA CYS 10 -3.793 3.398 -2.960 71 1HB CYS 10 2HB CYS 10 -2.451 1.867 -0.737 72 2HB CYS 10 1HB CYS 10 -4.030 1.354 -1.336 73 HA PRO 11 HA PRO 11 -6.697 5.066 -0.111 74 1HB PRO 11 2HB PRO 11 -8.953 3.693 -0.820 75 2HB PRO 11 1HB PRO 11 -8.234 4.969 -1.820 76 1HG PRO 11 2HG PRO 11 -8.239 2.065 -2.212 77 2HG PRO 11 1HG PRO 11 -8.031 3.363 -3.388 78 1HD PRO 11 2HD PRO 11 -6.001 1.733 -2.251 79 2HD PRO 11 1HD PRO 11 -5.788 3.133 -3.324 80 H ASP 12 H ASP 12 -8.415 4.337 1.577 81 HA ASP 12 HA ASP 12 -7.214 2.554 3.456 82 1HB ASP 12 2HB ASP 12 -9.140 4.486 3.440 83 2HB ASP 12 1HB ASP 12 -10.131 3.036 3.606 84 H GLY 13 H GLY 13 -9.327 1.926 0.764 85 1HA GLY 13 2HA GLY 13 -10.523 -0.501 1.747 86 2HA GLY 13 1HA GLY 13 -10.400 -0.040 0.051 87 H TYR 14 H TYR 14 -7.306 0.175 1.067 88 HA TYR 14 HA TYR 14 -6.752 -2.740 0.629 89 1HB TYR 14 2HB TYR 14 -5.500 -0.295 -0.647 90 2HB TYR 14 1HB TYR 14 -4.853 -1.927 -0.817 91 HD1 TYR 14 HD1 TYR 14 -6.022 -3.624 -2.117 92 HD2 TYR 14 HD2 TYR 14 -7.630 0.328 -1.652 93 HE1 TYR 14 HE1 TYR 14 -7.626 -4.064 -3.958 94 HE2 TYR 14 HE2 TYR 14 -9.236 -0.108 -3.496 95 HH TYR 14 HH TYR 14 -10.204 -1.814 -4.724 96 H THR 15 H THR 15 -4.318 -3.145 1.091 97 HA THR 15 HA THR 15 -3.421 -1.517 3.444 98 HB THR 15 HB THR 15 -2.990 -3.530 4.631 99 HG1 THR 15 HG1 THR 15 -2.959 -4.596 2.058 100 1HG2 THR 15 1HG2 THR 15 -5.321 -4.681 3.249 101 2HG2 THR 15 2HG2 THR 15 -5.525 -2.996 3.728 102 3HG2 THR 15 3HG2 THR 15 -5.131 -4.216 4.940 103 H CYS 16 H CYS 16 -1.473 -0.617 2.920 104 HA CYS 16 HA CYS 16 0.133 -1.659 0.699 105 1HB CYS 16 2HB CYS 16 1.493 0.338 1.210 106 2HB CYS 16 1HB CYS 16 -0.221 0.750 1.154 107 H CYS 17 H CYS 17 1.678 -3.198 0.953 108 HA CYS 17 HA CYS 17 2.917 -3.546 3.665 109 1HB CYS 17 2HB CYS 17 1.795 -5.371 1.612 110 2HB CYS 17 1HB CYS 17 3.294 -5.915 2.367 111 HG CYS 17 HG CYS 17 1.108 -6.622 3.789 112 H ARG 18 H ARG 18 5.099 -3.139 3.705 113 HA ARG 18 HA ARG 18 6.529 -2.550 1.211 114 1HB ARG 18 2HB ARG 18 6.604 -1.709 3.836 115 2HB ARG 18 1HB ARG 18 8.026 -2.749 3.740 116 1HG ARG 18 2HG ARG 18 8.040 -1.250 1.360 117 2HG ARG 18 1HG ARG 18 7.629 -0.100 2.633 118 1HD ARG 18 2HD ARG 18 9.626 -1.456 3.877 119 2HD ARG 18 1HD ARG 18 10.160 -1.590 2.189 120 HE ARG 18 HE ARG 18 9.349 1.061 3.310 121 1HH1 ARG 18 1HH2 ARG 18 12.149 0.520 3.965 122 2HH1 ARG 18 2HH2 ARG 18 13.005 1.083 2.569 123 1HH2 ARG 18 2HH1 ARG 18 10.196 1.119 0.534 124 2HH2 ARG 18 1HH1 ARG 18 11.899 1.422 0.625 125 H LEU 19 H LEU 19 7.585 -4.106 0.058 126 HA LEU 19 HA LEU 19 7.877 -6.829 0.954 127 1HB LEU 19 2HB LEU 19 8.191 -5.226 -1.386 128 2HB LEU 19 1HB LEU 19 9.680 -6.146 -1.170 129 HG LEU 19 HG LEU 19 7.873 -8.087 -0.647 130 1HD1 LEU 19 1HD1 LEU 19 6.279 -5.992 -1.583 131 2HD1 LEU 19 2HD1 LEU 19 5.810 -7.688 -1.472 132 3HD1 LEU 19 3HD1 LEU 19 6.467 -7.050 -2.980 133 1HD2 LEU 19 1HD2 LEU 19 9.757 -8.032 -2.338 134 2HD2 LEU 19 2HD2 LEU 19 8.636 -7.268 -3.465 135 3HD2 LEU 19 3HD2 LEU 19 8.320 -8.900 -2.877 136 HA PRO 20 HA PRO 20 11.784 -6.791 2.948 137 1HB PRO 20 2HB PRO 20 13.061 -8.966 1.885 138 2HB PRO 20 1HB PRO 20 11.694 -9.103 3.011 139 1HG PRO 20 2HG PRO 20 11.743 -9.379 0.048 140 2HG PRO 20 1HG PRO 20 10.820 -10.290 1.252 141 1HD PRO 20 2HD PRO 20 9.757 -8.292 -0.275 142 2HD PRO 20 1HD PRO 20 9.142 -8.740 1.331 143 H SER 21 H SER 21 11.733 -6.665 -0.537 144 HA SER 21 HA SER 21 14.602 -5.870 -0.658 145 1HB SER 21 2HB SER 21 12.668 -6.116 -2.959 146 2HB SER 21 1HB SER 21 14.413 -6.354 -2.964 147 HG SER 21 HG SER 21 13.688 -8.377 -2.871 148 H GLY 22 H GLY 22 12.501 -4.128 0.559 149 1HA GLY 22 2HA GLY 22 12.013 -1.832 0.558 150 2HA GLY 22 1HA GLY 22 13.250 -1.648 -0.688 151 H ALA 23 H ALA 23 10.284 -3.615 -0.818 152 HA ALA 23 HA ALA 23 9.456 -1.988 -3.198 153 1HB ALA 23 1HB ALA 23 9.550 -4.023 -4.183 154 2HB ALA 23 2HB ALA 23 8.142 -4.463 -3.216 155 3HB ALA 23 3HB ALA 23 9.764 -4.826 -2.627 156 H TRP 24 H TRP 24 6.876 -2.654 -3.497 157 HA TRP 24 HA TRP 24 5.522 -2.276 -0.858 158 1HB TRP 24 2HB TRP 24 5.669 -0.477 -3.233 159 2HB TRP 24 1HB TRP 24 4.118 -0.581 -2.401 160 HD1 TRP 24 HD1 TRP 24 7.158 1.351 -2.328 161 HE1 TRP 24 HE1 TRP 24 7.515 2.497 -0.047 162 HE3 TRP 24 HE3 TRP 24 3.783 -1.241 0.497 163 HZ2 TRP 24 HZ2 TRP 24 6.503 2.335 2.625 164 HZ3 TRP 24 HZ3 TRP 24 3.500 -0.724 2.906 165 HH2 TRP 24 HH2 TRP 24 4.855 1.058 3.971 166 H GLY 25 H GLY 25 3.389 -3.120 -0.823 167 1HA GLY 25 2HA GLY 25 2.323 -4.272 -3.347 168 2HA GLY 25 1HA GLY 25 2.564 -5.358 -1.977 169 H CYS 26 H CYS 26 0.323 -3.360 -3.464 170 HA CYS 26 HA CYS 26 -1.128 -2.660 -0.973 171 1HB CYS 26 2HB CYS 26 -1.187 -1.975 -3.875 172 2HB CYS 26 1HB CYS 26 -2.714 -1.849 -2.997 173 H CYS 27 H CYS 27 -2.164 -4.458 -0.125 174 HA CYS 27 HA CYS 27 -3.784 -6.118 -2.030 175 1HB CYS 27 2HB CYS 27 -2.458 -6.816 0.612 176 2HB CYS 27 1HB CYS 27 -3.399 -7.935 -0.376 177 HG CYS 27 HG CYS 27 -1.273 -8.369 -1.569 178 HA PRO 28 HA PRO 28 -7.240 -4.620 0.278 179 1HB PRO 28 2HB PRO 28 -9.090 -6.432 -0.600 180 2HB PRO 28 1HB PRO 28 -8.510 -5.081 -1.595 181 1HG PRO 28 2HG PRO 28 -7.731 -7.952 -1.663 182 2HG PRO 28 1HG PRO 28 -7.949 -6.808 -2.996 183 1HD PRO 28 2HD PRO 28 -5.510 -7.538 -2.009 184 2HD PRO 28 1HD PRO 28 -5.828 -5.981 -2.805 185 H PHE 29 H PHE 29 -8.350 -5.188 2.202 186 HA PHE 29 HA PHE 29 -7.226 -7.351 3.773 187 1HB PHE 29 2HB PHE 29 -8.306 -4.983 4.338 188 2HB PHE 29 1HB PHE 29 -9.779 -5.944 4.466 189 HD1 PHE 29 HD1 PHE 29 -10.277 -6.909 6.526 190 HD2 PHE 29 HD2 PHE 29 -6.179 -6.084 5.536 191 HE1 PHE 29 HE1 PHE 29 -9.577 -7.687 8.775 192 HE2 PHE 29 HE2 PHE 29 -5.480 -6.861 7.786 193 HZ PHE 29 HZ PHE 29 -7.178 -7.661 9.404 194 H THR 30 H THR 30 -7.784 -9.449 3.266 195 HA THR 30 HA THR 30 -10.701 -10.052 2.920 196 HB THR 30 HB THR 30 -9.727 -10.072 0.727 197 HG1 THR 30 HG1 THR 30 -9.646 -12.719 1.745 198 1HG2 THR 30 1HG2 THR 30 -7.511 -11.802 1.854 199 2HG2 THR 30 2HG2 THR 30 -7.362 -10.070 1.556 200 3HG2 THR 30 3HG2 THR 30 -7.629 -11.178 0.209 201 H GLN 31 H GLN 31 -9.921 -10.423 5.386 202 HA GLN 31 HA GLN 31 -8.778 -13.170 5.667 203 1HB GLN 31 2HB GLN 31 -8.886 -10.654 7.247 204 2HB GLN 31 1HB GLN 31 -8.953 -12.151 8.178 205 1HG GLN 31 2HG GLN 31 -6.668 -11.970 8.027 206 2HG GLN 31 1HG GLN 31 -6.956 -12.795 6.494 207 1HE2 GLN 31 1HE2 GLN 31 -4.689 -11.308 6.476 208 2HE2 GLN 31 2HE2 GLN 31 -4.899 -9.845 5.644 Start of MODEL 5 1 H VAL 1 H VAL 1 -7.709 9.091 0.000 2 HA VAL 1 HA VAL 1 -6.934 6.419 -0.699 3 HB VAL 1 HB VAL 1 -4.837 7.175 -1.992 4 1HG1 VAL 1 1HG1 VAL 1 -6.095 6.271 -3.629 5 2HG1 VAL 1 2HG1 VAL 1 -6.746 7.881 -3.942 6 3HG1 VAL 1 3HG1 VAL 1 -7.582 6.790 -2.835 7 1HG2 VAL 1 1HG2 VAL 1 -4.989 9.563 -1.414 8 2HG2 VAL 1 2HG2 VAL 1 -6.550 9.670 -2.228 9 3HG2 VAL 1 3HG2 VAL 1 -5.090 9.350 -3.162 10 H VAL 2 H VAL 2 -4.606 5.985 0.114 11 HA VAL 2 HA VAL 2 -3.975 7.838 2.391 12 HB VAL 2 HB VAL 2 -4.979 5.789 3.179 13 1HG1 VAL 2 1HG1 VAL 2 -3.519 3.637 2.496 14 2HG1 VAL 2 2HG1 VAL 2 -3.273 4.611 1.046 15 3HG1 VAL 2 3HG1 VAL 2 -4.907 4.176 1.550 16 1HG2 VAL 2 1HG2 VAL 2 -2.371 4.754 3.761 17 2HG2 VAL 2 2HG2 VAL 2 -3.427 5.703 4.808 18 3HG2 VAL 2 3HG2 VAL 2 -2.278 6.515 3.745 19 H HIS 3 H HIS 3 -2.348 8.920 1.083 20 HA HIS 3 HA HIS 3 -0.299 7.650 -0.416 21 1HB HIS 3 2HB HIS 3 0.854 9.835 -0.073 22 2HB HIS 3 1HB HIS 3 -0.845 10.039 -0.496 23 HD1 HIS 3 HD1 HIS 3 -0.900 8.883 2.861 24 HD2 HIS 3 HD2 HIS 3 -0.037 12.567 1.111 25 HE1 HIS 3 HE1 HIS 3 -1.133 10.618 4.691 26 H CYS 4 H CYS 4 0.266 5.775 1.007 27 HA CYS 4 HA CYS 4 1.319 5.931 3.620 28 1HB CYS 4 2HB CYS 4 0.928 4.026 1.676 29 2HB CYS 4 1HB CYS 4 2.689 4.099 1.751 30 H ASP 5 H ASP 5 2.772 6.795 0.539 31 HA ASP 5 HA ASP 5 5.079 7.979 1.994 32 1HB ASP 5 2HB ASP 5 5.061 5.562 0.339 33 2HB ASP 5 1HB ASP 5 6.235 6.751 -0.222 34 H MET 6 H MET 6 6.564 8.716 -0.263 35 HA MET 6 HA MET 6 4.714 10.680 -1.528 36 1HB MET 6 2HB MET 6 7.108 10.945 -0.293 37 2HB MET 6 1HB MET 6 7.657 10.730 -1.957 38 1HG MET 6 2HG MET 6 6.694 12.694 -2.677 39 2HG MET 6 1HG MET 6 5.390 12.611 -1.493 40 1HE MET 6 1HE MET 6 8.080 14.224 -2.755 41 2HE MET 6 2HE MET 6 9.396 13.503 -1.831 42 3HE MET 6 3HE MET 6 8.905 15.163 -1.503 43 H GLU 7 H GLU 7 5.367 7.667 -2.304 44 HA GLU 7 HA GLU 7 5.656 8.269 -5.223 45 1HB GLU 7 2HB GLU 7 7.203 6.349 -5.372 46 2HB GLU 7 1HB GLU 7 7.815 7.553 -4.237 47 1HG GLU 7 2HG GLU 7 6.988 6.265 -2.348 48 2HG GLU 7 1HG GLU 7 6.213 5.108 -3.432 49 H VAL 8 H VAL 8 4.510 6.060 -2.692 50 HA VAL 8 HA VAL 8 2.765 4.735 -4.742 51 HB VAL 8 HB VAL 8 4.535 3.372 -3.580 52 1HG1 VAL 8 1HG1 VAL 8 3.265 2.956 -1.090 53 2HG1 VAL 8 2HG1 VAL 8 3.368 4.704 -1.297 54 3HG1 VAL 8 3HG1 VAL 8 4.829 3.720 -1.375 55 1HG2 VAL 8 1HG2 VAL 8 2.907 1.571 -2.814 56 2HG2 VAL 8 2HG2 VAL 8 2.616 2.198 -4.436 57 3HG2 VAL 8 3HG2 VAL 8 1.612 2.736 -3.090 58 H ILE 9 H ILE 9 0.598 4.086 -3.904 59 HA ILE 9 HA ILE 9 -0.374 5.416 -1.453 60 HB ILE 9 HB ILE 9 -0.301 7.156 -3.256 61 1HG1 ILE 9 2HG1 ILE 9 -3.009 6.224 -2.265 62 2HG1 ILE 9 1HG1 ILE 9 -1.967 7.449 -1.542 63 1HG2 ILE 9 1HG2 ILE 9 -2.592 5.981 -4.685 64 2HG2 ILE 9 2HG2 ILE 9 -1.086 5.087 -4.893 65 3HG2 ILE 9 3HG2 ILE 9 -1.166 6.795 -5.327 66 1HD1 ILE 9 1HD1 ILE 9 -3.931 7.745 -3.652 67 2HD1 ILE 9 2HD1 ILE 9 -2.342 8.277 -4.202 68 3HD1 ILE 9 3HD1 ILE 9 -3.062 8.994 -2.761 69 H CYS 10 H CYS 10 -2.058 4.199 -0.616 70 HA CYS 10 HA CYS 10 -3.244 2.103 -2.396 71 1HB CYS 10 2HB CYS 10 -3.147 2.307 0.630 72 2HB CYS 10 1HB CYS 10 -3.625 0.895 -0.308 73 HA PRO 11 HA PRO 11 -7.035 4.324 -1.971 74 1HB PRO 11 2HB PRO 11 -8.733 2.428 -2.958 75 2HB PRO 11 1HB PRO 11 -7.644 3.382 -3.982 76 1HG PRO 11 2HG PRO 11 -7.435 0.573 -3.117 77 2HG PRO 11 1HG PRO 11 -6.827 1.354 -4.579 78 1HD PRO 11 2HD PRO 11 -5.319 0.670 -2.316 79 2HD PRO 11 1HD PRO 11 -4.809 1.736 -3.643 80 H ASP 12 H ASP 12 -6.104 2.939 0.451 81 HA ASP 12 HA ASP 12 -7.029 2.386 2.554 82 1HB ASP 12 2HB ASP 12 -8.811 4.015 1.248 83 2HB ASP 12 1HB ASP 12 -9.809 2.601 1.587 84 H GLY 13 H GLY 13 -9.224 1.118 0.011 85 1HA GLY 13 2HA GLY 13 -10.184 -1.161 1.202 86 2HA GLY 13 1HA GLY 13 -9.744 -1.129 -0.506 87 H TYR 14 H TYR 14 -6.890 -0.646 0.064 88 HA TYR 14 HA TYR 14 -6.181 -3.447 0.825 89 1HB TYR 14 2HB TYR 14 -4.637 -1.272 -0.625 90 2HB TYR 14 1HB TYR 14 -4.139 -2.956 -0.458 91 HD1 TYR 14 HD1 TYR 14 -6.813 -0.757 -1.829 92 HD2 TYR 14 HD2 TYR 14 -4.948 -4.624 -1.935 93 HE1 TYR 14 HE1 TYR 14 -8.152 -1.348 -3.835 94 HE2 TYR 14 HE2 TYR 14 -6.285 -5.216 -3.940 95 HH TYR 14 HH TYR 14 -8.701 -4.305 -4.868 96 H THR 15 H THR 15 -3.914 -3.560 1.891 97 HA THR 15 HA THR 15 -3.748 -1.471 4.037 98 HB THR 15 HB THR 15 -2.983 -3.292 5.461 99 HG1 THR 15 HG1 THR 15 -1.795 -4.586 4.232 100 1HG2 THR 15 1HG2 THR 15 -4.940 -4.949 5.058 101 2HG2 THR 15 2HG2 THR 15 -5.404 -3.850 3.760 102 3HG2 THR 15 3HG2 THR 15 -5.335 -3.270 5.424 103 H CYS 16 H CYS 16 -1.887 -0.277 3.983 104 HA CYS 16 HA CYS 16 0.146 -0.425 2.077 105 1HB CYS 16 2HB CYS 16 -0.428 1.320 3.897 106 2HB CYS 16 1HB CYS 16 0.610 0.366 4.956 107 H CYS 17 H CYS 17 1.733 -1.923 1.706 108 HA CYS 17 HA CYS 17 2.890 -3.416 4.008 109 1HB CYS 17 2HB CYS 17 1.166 -4.440 1.816 110 2HB CYS 17 1HB CYS 17 2.579 -5.421 2.203 111 HG CYS 17 HG CYS 17 1.369 -4.842 4.808 112 H ARG 18 H ARG 18 5.064 -3.932 3.657 113 HA ARG 18 HA ARG 18 6.286 -2.824 1.181 114 1HB ARG 18 2HB ARG 18 6.896 -2.959 3.968 115 2HB ARG 18 1HB ARG 18 8.168 -3.818 3.098 116 1HG ARG 18 2HG ARG 18 7.537 -1.446 1.630 117 2HG ARG 18 1HG ARG 18 7.790 -0.999 3.318 118 1HD ARG 18 2HD ARG 18 9.826 -2.848 2.811 119 2HD ARG 18 1HD ARG 18 9.758 -1.852 1.342 120 HE ARG 18 HE ARG 18 9.953 0.153 2.806 121 1HH1 ARG 18 1HH2 ARG 18 9.251 -1.703 5.253 122 2HH1 ARG 18 2HH2 ARG 18 10.763 -1.640 6.095 123 1HH2 ARG 18 2HH1 ARG 18 12.503 -0.293 3.416 124 2HH2 ARG 18 1HH1 ARG 18 12.602 -0.845 5.055 125 H LEU 19 H LEU 19 7.444 -4.123 -0.258 126 HA LEU 19 HA LEU 19 6.906 -6.988 -0.252 127 1HB LEU 19 2HB LEU 19 7.805 -4.894 -2.016 128 2HB LEU 19 1HB LEU 19 8.908 -6.267 -2.137 129 HG LEU 19 HG LEU 19 6.659 -7.659 -2.207 130 1HD1 LEU 19 1HD1 LEU 19 5.035 -5.978 -1.875 131 2HD1 LEU 19 2HD1 LEU 19 5.010 -6.242 -3.619 132 3HD1 LEU 19 3HD1 LEU 19 5.858 -4.848 -2.950 133 1HD2 LEU 19 1HD2 LEU 19 6.630 -7.119 -4.776 134 2HD2 LEU 19 2HD2 LEU 19 8.073 -7.845 -4.067 135 3HD2 LEU 19 3HD2 LEU 19 8.028 -6.113 -4.396 136 HA PRO 20 HA PRO 20 10.541 -8.395 1.765 137 1HB PRO 20 2HB PRO 20 11.092 -10.687 0.373 138 2HB PRO 20 1HB PRO 20 9.735 -10.544 1.507 139 1HG PRO 20 2HG PRO 20 9.737 -10.409 -1.463 140 2HG PRO 20 1HG PRO 20 8.555 -11.138 -0.367 141 1HD PRO 20 2HD PRO 20 8.205 -8.714 -1.579 142 2HD PRO 20 1HD PRO 20 7.452 -9.164 -0.033 143 H SER 21 H SER 21 10.606 -7.348 -1.464 144 HA SER 21 HA SER 21 13.572 -7.694 -1.667 145 1HB SER 21 2HB SER 21 12.546 -8.558 -3.594 146 2HB SER 21 1HB SER 21 11.284 -7.329 -3.587 147 HG SER 21 HG SER 21 12.663 -6.689 -5.150 148 H GLY 22 H GLY 22 12.145 -5.620 -0.010 149 1HA GLY 22 2HA GLY 22 12.509 -3.353 0.495 150 2HA GLY 22 1HA GLY 22 13.756 -3.348 -0.752 151 H ALA 23 H ALA 23 10.187 -3.478 -0.490 152 HA ALA 23 HA ALA 23 9.978 -1.301 -2.481 153 1HB ALA 23 1HB ALA 23 9.437 -2.649 -4.221 154 2HB ALA 23 2HB ALA 23 8.284 -3.548 -3.236 155 3HB ALA 23 3HB ALA 23 9.987 -4.003 -3.233 156 H TRP 24 H TRP 24 7.506 -0.881 -2.868 157 HA TRP 24 HA TRP 24 6.022 -1.388 -0.306 158 1HB TRP 24 2HB TRP 24 6.583 1.046 -1.934 159 2HB TRP 24 1HB TRP 24 4.985 0.934 -1.197 160 HD1 TRP 24 HD1 TRP 24 8.229 2.260 -0.452 161 HE1 TRP 24 HE1 TRP 24 8.632 2.485 2.085 162 HE3 TRP 24 HE3 TRP 24 4.435 -0.674 1.306 163 HZ2 TRP 24 HZ2 TRP 24 7.498 1.542 4.534 164 HZ3 TRP 24 HZ3 TRP 24 4.119 -0.992 3.744 165 HH2 TRP 24 HH2 TRP 24 5.646 0.111 5.359 166 H GLY 25 H GLY 25 3.784 -1.825 -0.527 167 1HA GLY 25 2HA GLY 25 2.414 -1.608 -3.077 168 2HA GLY 25 1HA GLY 25 2.836 -3.278 -2.695 169 H CYS 26 H CYS 26 0.142 -2.193 -2.863 170 HA CYS 26 HA CYS 26 -0.773 -2.130 -0.028 171 1HB CYS 26 2HB CYS 26 -2.413 -1.836 -2.555 172 2HB CYS 26 1HB CYS 26 -2.780 -1.215 -0.947 173 H CYS 27 H CYS 27 -1.543 -4.009 0.879 174 HA CYS 27 HA CYS 27 -2.265 -6.255 -0.967 175 1HB CYS 27 2HB CYS 27 -0.861 -5.950 1.611 176 2HB CYS 27 1HB CYS 27 -1.973 -7.317 1.547 177 HG CYS 27 HG CYS 27 0.521 -6.959 -0.282 178 HA PRO 28 HA PRO 28 -6.418 -5.582 0.489 179 1HB PRO 28 2HB PRO 28 -7.543 -7.745 -0.753 180 2HB PRO 28 1HB PRO 28 -7.121 -6.252 -1.614 181 1HG PRO 28 2HG PRO 28 -5.667 -8.844 -1.493 182 2HG PRO 28 1HG PRO 28 -5.876 -7.727 -2.851 183 1HD PRO 28 2HD PRO 28 -3.593 -7.896 -1.360 184 2HD PRO 28 1HD PRO 28 -4.105 -6.429 -2.224 185 H PHE 29 H PHE 29 -7.848 -6.659 2.029 186 HA PHE 29 HA PHE 29 -6.911 -9.256 3.131 187 1HB PHE 29 2HB PHE 29 -6.720 -8.275 5.376 188 2HB PHE 29 1HB PHE 29 -5.659 -7.429 4.252 189 HD1 PHE 29 HD1 PHE 29 -8.033 -6.981 6.785 190 HD2 PHE 29 HD2 PHE 29 -6.869 -5.381 2.971 191 HE1 PHE 29 HE1 PHE 29 -9.159 -4.843 7.336 192 HE2 PHE 29 HE2 PHE 29 -8.001 -3.247 3.520 193 HZ PHE 29 HZ PHE 29 -9.144 -2.975 5.704 194 H THR 30 H THR 30 -9.286 -6.585 3.492 195 HA THR 30 HA THR 30 -11.395 -8.681 3.805 196 HB THR 30 HB THR 30 -10.437 -7.672 5.988 197 HG1 THR 30 HG1 THR 30 -13.089 -7.910 5.186 198 1HG2 THR 30 1HG2 THR 30 -10.928 -5.481 6.558 199 2HG2 THR 30 2HG2 THR 30 -12.305 -5.393 5.461 200 3HG2 THR 30 3HG2 THR 30 -10.662 -5.301 4.824 201 H GLN 31 H GLN 31 -11.069 -7.422 1.404 202 HA GLN 31 HA GLN 31 -12.158 -4.934 0.848 203 1HB GLN 31 2HB GLN 31 -12.459 -7.630 -0.493 204 2HB GLN 31 1HB GLN 31 -13.043 -6.143 -1.240 205 1HG GLN 31 2HG GLN 31 -10.910 -5.297 -1.554 206 2HG GLN 31 1HG GLN 31 -10.239 -6.202 -0.196 207 1HE2 GLN 31 1HE2 GLN 31 -9.960 -8.605 -0.542 208 2HE2 GLN 31 2HE2 GLN 31 -9.697 -9.182 -2.116 Start of MODEL 6 1 H VAL 1 H VAL 1 -8.471 9.636 -0.276 2 HA VAL 1 HA VAL 1 -7.546 7.279 -1.064 3 HB VAL 1 HB VAL 1 -5.314 7.759 -2.243 4 1HG1 VAL 1 1HG1 VAL 1 -6.437 7.294 -4.145 5 2HG1 VAL 1 2HG1 VAL 1 -7.291 8.837 -4.100 6 3HG1 VAL 1 3HG1 VAL 1 -7.914 7.458 -3.195 7 1HG2 VAL 1 1HG2 VAL 1 -4.826 9.896 -2.990 8 2HG2 VAL 1 2HG2 VAL 1 -5.658 10.291 -1.486 9 3HG2 VAL 1 3HG2 VAL 1 -6.520 10.384 -3.022 10 H VAL 2 H VAL 2 -5.692 6.412 0.138 11 HA VAL 2 HA VAL 2 -4.895 8.190 2.404 12 HB VAL 2 HB VAL 2 -4.851 5.175 2.068 13 1HG1 VAL 2 1HG1 VAL 2 -3.764 6.957 4.061 14 2HG1 VAL 2 2HG1 VAL 2 -3.666 5.198 3.984 15 3HG1 VAL 2 3HG1 VAL 2 -5.038 5.971 4.778 16 1HG2 VAL 2 1HG2 VAL 2 -6.929 5.116 3.222 17 2HG2 VAL 2 2HG2 VAL 2 -7.124 6.382 2.010 18 3HG2 VAL 2 3HG2 VAL 2 -6.806 6.811 3.692 19 H HIS 3 H HIS 3 -2.966 9.171 1.756 20 HA HIS 3 HA HIS 3 -0.984 8.321 0.027 21 1HB HIS 3 2HB HIS 3 -0.937 9.808 2.650 22 2HB HIS 3 1HB HIS 3 0.547 9.568 1.728 23 HD1 HIS 3 HD1 HIS 3 1.020 11.463 0.195 24 HD2 HIS 3 HD2 HIS 3 -3.081 10.903 0.695 25 HE1 HIS 3 HE1 HIS 3 -0.121 13.242 -1.199 26 H CYS 4 H CYS 4 0.104 6.400 -0.061 27 HA CYS 4 HA CYS 4 0.332 4.649 2.277 28 1HB CYS 4 2HB CYS 4 0.440 4.501 -0.565 29 2HB CYS 4 1HB CYS 4 1.985 3.903 0.041 30 H ASP 5 H ASP 5 2.481 6.725 0.356 31 HA ASP 5 HA ASP 5 4.328 7.057 2.582 32 1HB ASP 5 2HB ASP 5 5.019 4.843 2.004 33 2HB ASP 5 1HB ASP 5 4.966 5.204 0.279 34 H MET 6 H MET 6 5.192 6.847 -0.860 35 HA MET 6 HA MET 6 5.096 9.816 -1.079 36 1HB MET 6 2HB MET 6 7.328 8.762 -0.170 37 2HB MET 6 1HB MET 6 7.584 8.320 -1.860 38 1HG MET 6 2HG MET 6 8.613 10.499 -1.397 39 2HG MET 6 1HG MET 6 7.260 10.693 -2.511 40 1HE MET 6 1HE MET 6 8.391 12.862 0.850 41 2HE MET 6 2HE MET 6 9.027 11.295 0.354 42 3HE MET 6 3HE MET 6 7.934 11.398 1.733 43 H GLU 7 H GLU 7 6.204 6.872 -2.825 44 HA GLU 7 HA GLU 7 5.118 8.061 -5.341 45 1HB GLU 7 2HB GLU 7 6.577 6.401 -6.415 46 2HB GLU 7 1HB GLU 7 7.490 7.308 -5.211 47 1HG GLU 7 2HG GLU 7 7.743 5.499 -3.843 48 2HG GLU 7 1HG GLU 7 6.140 4.864 -4.219 49 H VAL 8 H VAL 8 3.791 6.384 -2.973 50 HA VAL 8 HA VAL 8 2.171 4.691 -4.829 51 HB VAL 8 HB VAL 8 2.205 3.108 -2.668 52 1HG1 VAL 8 1HG1 VAL 8 3.047 1.838 -4.319 53 2HG1 VAL 8 2HG1 VAL 8 4.644 2.478 -3.928 54 3HG1 VAL 8 3HG1 VAL 8 3.658 3.261 -5.162 55 1HG2 VAL 8 1HG2 VAL 8 5.054 4.011 -2.575 56 2HG2 VAL 8 2HG2 VAL 8 4.072 3.267 -1.313 57 3HG2 VAL 8 3HG2 VAL 8 3.865 4.975 -1.699 58 H ILE 9 H ILE 9 -0.024 4.699 -4.335 59 HA ILE 9 HA ILE 9 -0.897 5.877 -1.740 60 HB ILE 9 HB ILE 9 -0.542 7.514 -3.782 61 1HG1 ILE 9 2HG1 ILE 9 -1.483 8.485 -1.880 62 2HG1 ILE 9 1HG1 ILE 9 -2.772 8.695 -3.061 63 1HG2 ILE 9 1HG2 ILE 9 -3.288 6.389 -4.400 64 2HG2 ILE 9 2HG2 ILE 9 -1.841 6.106 -5.369 65 3HG2 ILE 9 3HG2 ILE 9 -2.498 7.736 -5.221 66 1HD1 ILE 9 1HD1 ILE 9 -3.816 6.576 -2.228 67 2HD1 ILE 9 2HD1 ILE 9 -3.732 7.837 -0.997 68 3HD1 ILE 9 3HD1 ILE 9 -2.576 6.505 -0.975 69 H CYS 10 H CYS 10 -2.593 4.639 -0.964 70 HA CYS 10 HA CYS 10 -4.148 3.007 -2.947 71 1HB CYS 10 2HB CYS 10 -2.688 2.403 -0.506 72 2HB CYS 10 1HB CYS 10 -4.364 1.865 -0.392 73 HA PRO 11 HA PRO 11 -7.726 5.019 -1.383 74 1HB PRO 11 2HB PRO 11 -9.627 3.166 -2.028 75 2HB PRO 11 1HB PRO 11 -8.819 4.186 -3.232 76 1HG PRO 11 2HG PRO 11 -8.394 1.337 -2.581 77 2HG PRO 11 1HG PRO 11 -8.209 2.186 -4.119 78 1HD PRO 11 2HD PRO 11 -6.130 1.431 -2.425 79 2HD PRO 11 1HD PRO 11 -6.023 2.623 -3.737 80 H ASP 12 H ASP 12 -6.272 3.671 0.701 81 HA ASP 12 HA ASP 12 -6.653 2.998 2.934 82 1HB ASP 12 2HB ASP 12 -8.624 4.651 2.315 83 2HB ASP 12 1HB ASP 12 -9.600 3.184 2.401 84 H GLY 13 H GLY 13 -9.361 1.665 0.988 85 1HA GLY 13 2HA GLY 13 -9.841 -0.696 2.300 86 2HA GLY 13 1HA GLY 13 -9.893 -0.594 0.542 87 H TYR 14 H TYR 14 -6.940 0.075 0.493 88 HA TYR 14 HA TYR 14 -6.011 -2.750 0.704 89 1HB TYR 14 2HB TYR 14 -5.015 -0.276 -0.735 90 2HB TYR 14 1HB TYR 14 -4.186 -1.834 -0.783 91 HD1 TYR 14 HD1 TYR 14 -5.067 -3.694 -2.032 92 HD2 TYR 14 HD2 TYR 14 -7.279 -0.029 -1.703 93 HE1 TYR 14 HE1 TYR 14 -6.600 -4.459 -3.826 94 HE2 TYR 14 HE2 TYR 14 -8.814 -0.791 -3.498 95 HH TYR 14 HH TYR 14 -9.356 -2.448 -4.870 96 H THR 15 H THR 15 -3.984 -3.228 1.711 97 HA THR 15 HA THR 15 -3.216 -1.293 3.850 98 HB THR 15 HB THR 15 -3.949 -3.584 4.452 99 HG1 THR 15 HG1 THR 15 -1.198 -3.658 4.870 100 1HG2 THR 15 1HG2 THR 15 -1.685 -5.089 3.612 101 2HG2 THR 15 2HG2 THR 15 -2.316 -4.251 2.196 102 3HG2 THR 15 3HG2 THR 15 -3.368 -5.307 3.137 103 H CYS 16 H CYS 16 -1.030 -0.636 4.053 104 HA CYS 16 HA CYS 16 0.614 -0.960 1.604 105 1HB CYS 16 2HB CYS 16 -0.017 1.140 3.262 106 2HB CYS 16 1HB CYS 16 1.585 0.688 3.848 107 H CYS 17 H CYS 17 2.190 -2.493 1.574 108 HA CYS 17 HA CYS 17 3.664 -3.110 4.098 109 1HB CYS 17 2HB CYS 17 1.722 -4.728 2.770 110 2HB CYS 17 1HB CYS 17 3.297 -5.485 2.527 111 HG CYS 17 HG CYS 17 2.024 -4.922 5.323 112 H ARG 18 H ARG 18 5.871 -3.573 3.714 113 HA ARG 18 HA ARG 18 6.839 -2.950 0.987 114 1HB ARG 18 2HB ARG 18 7.756 -2.773 3.756 115 2HB ARG 18 1HB ARG 18 9.002 -3.414 2.683 116 1HG ARG 18 2HG ARG 18 7.900 -1.336 1.208 117 2HG ARG 18 1HG ARG 18 7.914 -0.703 2.853 118 1HD ARG 18 2HD ARG 18 10.382 -1.805 2.801 119 2HD ARG 18 1HD ARG 18 10.202 -1.391 1.084 120 HE ARG 18 HE ARG 18 9.262 0.790 2.687 121 1HH1 ARG 18 2HH1 ARG 18 11.466 0.285 0.393 122 2HH1 ARG 18 1HH1 ARG 18 12.771 1.172 1.110 123 1HH2 ARG 18 1HH2 ARG 18 11.231 1.454 4.204 124 2HH2 ARG 18 2HH2 ARG 18 12.636 1.835 3.265 125 H LEU 19 H LEU 19 7.715 -4.474 -0.363 126 HA LEU 19 HA LEU 19 7.369 -7.278 0.106 127 1HB LEU 19 2HB LEU 19 8.171 -5.460 -1.951 128 2HB LEU 19 1HB LEU 19 9.372 -6.750 -1.869 129 HG LEU 19 HG LEU 19 7.147 -8.245 -1.680 130 1HD1 LEU 19 1HD1 LEU 19 6.315 -5.607 -2.727 131 2HD1 LEU 19 2HD1 LEU 19 5.347 -6.874 -1.975 132 3HD1 LEU 19 3HD1 LEU 19 5.776 -6.988 -3.682 133 1HD2 LEU 19 1HD2 LEU 19 9.096 -7.669 -3.616 134 2HD2 LEU 19 2HD2 LEU 19 7.558 -7.546 -4.472 135 3HD2 LEU 19 3HD2 LEU 19 7.979 -9.035 -3.625 136 HA PRO 20 HA PRO 20 11.115 -8.467 2.062 137 1HB PRO 20 2HB PRO 20 11.840 -10.726 0.708 138 2HB PRO 20 1HB PRO 20 10.443 -10.665 1.801 139 1HG PRO 20 2HG PRO 20 10.529 -10.589 -1.166 140 2HG PRO 20 1HG PRO 20 9.338 -11.329 -0.086 141 1HD PRO 20 2HD PRO 20 8.988 -8.930 -1.393 142 2HD PRO 20 1HD PRO 20 8.120 -9.416 0.079 143 H SER 21 H SER 21 11.186 -7.219 -1.020 144 HA SER 21 HA SER 21 14.171 -7.472 -1.213 145 1HB SER 21 2HB SER 21 12.018 -7.072 -3.311 146 2HB SER 21 1HB SER 21 13.746 -7.072 -3.655 147 HG SER 21 HG SER 21 13.693 -9.166 -3.588 148 H GLY 22 H GLY 22 12.553 -5.444 0.319 149 1HA GLY 22 2HA GLY 22 12.705 -3.136 0.723 150 2HA GLY 22 1HA GLY 22 14.037 -3.106 -0.432 151 H ALA 23 H ALA 23 10.508 -3.687 -0.601 152 HA ALA 23 HA ALA 23 10.304 -1.514 -2.628 153 1HB ALA 23 1HB ALA 23 10.730 -3.964 -3.517 154 2HB ALA 23 2HB ALA 23 9.513 -2.955 -4.297 155 3HB ALA 23 3HB ALA 23 9.023 -4.187 -3.135 156 H TRP 24 H TRP 24 7.902 -1.082 -3.093 157 HA TRP 24 HA TRP 24 6.347 -1.446 -0.564 158 1HB TRP 24 2HB TRP 24 6.620 0.616 -2.694 159 2HB TRP 24 1HB TRP 24 5.022 0.439 -1.971 160 HD1 TRP 24 HD1 TRP 24 7.610 2.675 -1.552 161 HE1 TRP 24 HE1 TRP 24 8.007 3.401 0.890 162 HE3 TRP 24 HE3 TRP 24 5.150 -1.073 0.893 163 HZ2 TRP 24 HZ2 TRP 24 7.366 2.509 3.531 164 HZ3 TRP 24 HZ3 TRP 24 5.060 -1.111 3.370 165 HH2 TRP 24 HH2 TRP 24 6.164 0.674 4.692 166 H GLY 25 H GLY 25 4.203 -2.244 -0.673 167 1HA GLY 25 2HA GLY 25 3.044 -2.948 -3.286 168 2HA GLY 25 1HA GLY 25 3.463 -4.316 -2.255 169 H CYS 26 H CYS 26 0.837 -2.824 -3.160 170 HA CYS 26 HA CYS 26 -0.364 -2.431 -0.455 171 1HB CYS 26 2HB CYS 26 -0.466 -0.993 -2.793 172 2HB CYS 26 1HB CYS 26 -1.948 -1.942 -2.896 173 H CYS 27 H CYS 27 -1.660 -4.032 0.361 174 HA CYS 27 HA CYS 27 -2.752 -6.058 -1.568 175 1HB CYS 27 2HB CYS 27 -1.699 -6.390 1.257 176 2HB CYS 27 1HB CYS 27 -2.378 -7.686 0.273 177 HG CYS 27 HG CYS 27 -0.285 -6.668 -1.436 178 HA PRO 28 HA PRO 28 -6.588 -4.780 0.261 179 1HB PRO 28 2HB PRO 28 -8.182 -6.617 -0.989 180 2HB PRO 28 1HB PRO 28 -7.537 -5.183 -1.812 181 1HG PRO 28 2HG PRO 28 -6.629 -8.005 -1.937 182 2HG PRO 28 1HG PRO 28 -6.667 -6.773 -3.206 183 1HD PRO 28 2HD PRO 28 -4.406 -7.528 -1.832 184 2HD PRO 28 1HD PRO 28 -4.615 -5.962 -2.647 185 H PHE 29 H PHE 29 -7.963 -5.575 1.943 186 HA PHE 29 HA PHE 29 -7.424 -8.372 2.882 187 1HB PHE 29 2HB PHE 29 -7.424 -7.319 5.207 188 2HB PHE 29 1HB PHE 29 -6.037 -6.914 4.195 189 HD1 PHE 29 HD1 PHE 29 -5.516 -4.668 3.742 190 HD2 PHE 29 HD2 PHE 29 -9.444 -5.688 5.152 191 HE1 PHE 29 HE1 PHE 29 -6.072 -2.260 3.938 192 HE2 PHE 29 HE2 PHE 29 -9.999 -3.279 5.349 193 HZ PHE 29 HZ PHE 29 -8.312 -1.565 4.744 194 H THR 30 H THR 30 -9.252 -9.422 3.684 195 HA THR 30 HA THR 30 -11.850 -8.067 3.290 196 HB THR 30 HB THR 30 -10.929 -10.885 3.914 197 HG1 THR 30 HG1 THR 30 -11.086 -11.084 1.840 198 1HG2 THR 30 1HG2 THR 30 -12.975 -10.991 4.967 199 2HG2 THR 30 2HG2 THR 30 -13.506 -11.254 3.306 200 3HG2 THR 30 3HG2 THR 30 -13.644 -9.653 4.033 201 H GLN 31 H GLN 31 -13.479 -8.057 5.009 202 HA GLN 31 HA GLN 31 -12.678 -8.700 7.762 203 1HB GLN 31 2HB GLN 31 -12.570 -6.436 8.537 204 2HB GLN 31 1HB GLN 31 -11.595 -6.479 7.069 205 1HG GLN 31 2HG GLN 31 -14.207 -5.966 6.183 206 2HG GLN 31 1HG GLN 31 -14.008 -4.960 7.617 207 1HE2 GLN 31 1HE2 GLN 31 -11.857 -5.935 4.877 208 2HE2 GLN 31 2HE2 GLN 31 -11.315 -4.359 4.556 Start of MODEL 7 1 H VAL 1 H VAL 1 -6.862 10.990 0.873 2 HA VAL 1 HA VAL 1 -7.108 8.161 -0.105 3 HB VAL 1 HB VAL 1 -4.790 8.564 -1.017 4 1HG1 VAL 1 1HG1 VAL 1 -6.938 8.850 -2.346 5 2HG1 VAL 1 2HG1 VAL 1 -5.551 9.753 -2.959 6 3HG1 VAL 1 3HG1 VAL 1 -6.806 10.580 -2.035 7 1HG2 VAL 1 1HG2 VAL 1 -4.241 10.438 0.532 8 2HG2 VAL 1 2HG2 VAL 1 -5.430 11.444 -0.297 9 3HG2 VAL 1 3HG2 VAL 1 -3.997 10.881 -1.158 10 H VAL 2 H VAL 2 -5.034 6.901 0.644 11 HA VAL 2 HA VAL 2 -4.632 7.494 3.550 12 HB VAL 2 HB VAL 2 -4.325 4.976 1.881 13 1HG1 VAL 2 1HG1 VAL 2 -4.228 5.292 4.894 14 2HG1 VAL 2 2HG1 VAL 2 -2.795 5.139 3.879 15 3HG1 VAL 2 3HG1 VAL 2 -3.955 3.813 3.971 16 1HG2 VAL 2 1HG2 VAL 2 -6.393 5.772 3.954 17 2HG2 VAL 2 2HG2 VAL 2 -6.347 4.247 3.069 18 3HG2 VAL 2 3HG2 VAL 2 -6.661 5.755 2.211 19 H HIS 3 H HIS 3 -2.990 7.103 0.483 20 HA HIS 3 HA HIS 3 -0.723 7.401 -0.113 21 1HB HIS 3 2HB HIS 3 -1.513 9.279 1.852 22 2HB HIS 3 1HB HIS 3 0.101 8.739 2.312 23 HD1 HIS 3 HD1 HIS 3 1.452 8.340 -0.361 24 HD2 HIS 3 HD2 HIS 3 -1.042 11.591 0.409 25 HE1 HIS 3 HE1 HIS 3 2.090 10.143 -2.022 26 H CYS 4 H CYS 4 -0.058 5.183 0.081 27 HA CYS 4 HA CYS 4 0.561 3.842 2.524 28 1HB CYS 4 2HB CYS 4 1.116 3.574 -0.388 29 2HB CYS 4 1HB CYS 4 2.172 2.665 0.691 30 H ASP 5 H ASP 5 2.510 5.908 0.390 31 HA ASP 5 HA ASP 5 4.378 6.480 2.573 32 1HB ASP 5 2HB ASP 5 4.795 4.211 1.000 33 2HB ASP 5 1HB ASP 5 5.875 5.417 0.300 34 H MET 6 H MET 6 6.529 7.254 0.770 35 HA MET 6 HA MET 6 5.462 9.830 -0.121 36 1HB MET 6 2HB MET 6 8.028 8.502 0.400 37 2HB MET 6 1HB MET 6 8.086 9.598 -0.981 38 1HG MET 6 2HG MET 6 8.624 10.784 1.121 39 2HG MET 6 1HG MET 6 7.139 11.405 0.400 40 1HE MET 6 1HE MET 6 6.759 11.926 4.002 41 2HE MET 6 2HE MET 6 5.411 12.115 2.885 42 3HE MET 6 3HE MET 6 7.042 12.521 2.360 43 H GLU 7 H GLU 7 5.978 6.741 -1.578 44 HA GLU 7 HA GLU 7 5.495 7.961 -4.272 45 1HB GLU 7 2HB GLU 7 7.736 6.356 -3.244 46 2HB GLU 7 1HB GLU 7 7.056 5.731 -4.747 47 1HG GLU 7 2HG GLU 7 7.234 8.583 -4.954 48 2HG GLU 7 1HG GLU 7 8.795 7.962 -4.414 49 H VAL 8 H VAL 8 3.836 6.423 -2.162 50 HA VAL 8 HA VAL 8 2.705 4.454 -4.099 51 HB VAL 8 HB VAL 8 3.276 3.870 -1.179 52 1HG1 VAL 8 1HG1 VAL 8 2.823 1.857 -3.366 53 2HG1 VAL 8 2HG1 VAL 8 1.442 2.654 -2.612 54 3HG1 VAL 8 3HG1 VAL 8 2.549 1.694 -1.632 55 1HG2 VAL 8 1HG2 VAL 8 5.170 2.530 -1.975 56 2HG2 VAL 8 2HG2 VAL 8 5.372 4.206 -2.486 57 3HG2 VAL 8 3HG2 VAL 8 4.822 2.993 -3.640 58 H ILE 9 H ILE 9 0.444 4.119 -3.805 59 HA ILE 9 HA ILE 9 -0.971 5.293 -1.521 60 HB ILE 9 HB ILE 9 -0.421 7.271 -2.866 61 1HG1 ILE 9 2HG1 ILE 9 -3.297 6.754 -3.541 62 2HG1 ILE 9 1HG1 ILE 9 -2.816 6.767 -1.844 63 1HG2 ILE 9 1HG2 ILE 9 -0.912 5.451 -5.024 64 2HG2 ILE 9 2HG2 ILE 9 -0.275 7.094 -5.103 65 3HG2 ILE 9 3HG2 ILE 9 -2.014 6.818 -5.189 66 1HD1 ILE 9 1HD1 ILE 9 -1.722 8.993 -3.442 67 2HD1 ILE 9 2HD1 ILE 9 -2.448 9.012 -1.835 68 3HD1 ILE 9 3HD1 ILE 9 -3.477 9.009 -3.267 69 H CYS 10 H CYS 10 -3.062 4.423 -1.370 70 HA CYS 10 HA CYS 10 -3.903 2.619 -3.618 71 1HB CYS 10 2HB CYS 10 -3.303 2.144 -0.874 72 2HB CYS 10 1HB CYS 10 -5.040 1.916 -1.073 73 HA PRO 11 HA PRO 11 -7.773 4.695 -3.581 74 1HB PRO 11 2HB PRO 11 -9.519 2.670 -4.134 75 2HB PRO 11 1HB PRO 11 -8.378 3.314 -5.329 76 1HG PRO 11 2HG PRO 11 -8.276 0.795 -3.791 77 2HG PRO 11 1HG PRO 11 -7.644 1.165 -5.399 78 1HD PRO 11 2HD PRO 11 -6.152 1.009 -3.043 79 2HD PRO 11 1HD PRO 11 -5.618 1.734 -4.574 80 H ASP 12 H ASP 12 -6.932 3.893 -0.875 81 HA ASP 12 HA ASP 12 -7.903 3.856 1.265 82 1HB ASP 12 2HB ASP 12 -10.567 3.965 -0.149 83 2HB ASP 12 1HB ASP 12 -10.125 4.649 1.413 84 H GLY 13 H GLY 13 -8.406 2.171 2.575 85 1HA GLY 13 2HA GLY 13 -9.372 0.106 3.261 86 2HA GLY 13 1HA GLY 13 -10.113 -0.038 1.668 87 H TYR 14 H TYR 14 -6.673 0.424 2.487 88 HA TYR 14 HA TYR 14 -6.083 -2.346 1.598 89 1HB TYR 14 2HB TYR 14 -5.472 0.206 0.139 90 2HB TYR 14 1HB TYR 14 -4.338 -1.140 0.014 91 HD1 TYR 14 HD1 TYR 14 -5.457 -3.501 -0.448 92 HD2 TYR 14 HD2 TYR 14 -7.270 0.287 -1.349 93 HE1 TYR 14 HE1 TYR 14 -6.943 -4.606 -2.095 94 HE2 TYR 14 HE2 TYR 14 -8.758 -0.820 -2.996 95 HH TYR 14 HH TYR 14 -9.195 -4.145 -3.132 96 H THR 15 H THR 15 -3.969 -3.034 2.247 97 HA THR 15 HA THR 15 -2.709 -1.299 4.327 98 HB THR 15 HB THR 15 -3.541 -3.500 5.021 99 HG1 THR 15 HG1 THR 15 -1.605 -4.277 5.860 100 1HG2 THR 15 1HG2 THR 15 -1.733 -5.235 3.662 101 2HG2 THR 15 2HG2 THR 15 -2.548 -4.252 2.445 102 3HG2 THR 15 3HG2 THR 15 -3.494 -5.219 3.577 103 H CYS 16 H CYS 16 -0.458 -0.887 4.229 104 HA CYS 16 HA CYS 16 0.787 -1.298 1.557 105 1HB CYS 16 2HB CYS 16 1.829 0.325 3.888 106 2HB CYS 16 1HB CYS 16 2.159 0.554 2.172 107 H CYS 17 H CYS 17 2.047 -3.118 1.396 108 HA CYS 17 HA CYS 17 3.535 -4.039 3.830 109 1HB CYS 17 2HB CYS 17 2.452 -5.398 1.353 110 2HB CYS 17 1HB CYS 17 3.587 -6.202 2.437 111 HG CYS 17 HG CYS 17 0.937 -5.068 3.625 112 H ARG 18 H ARG 18 5.737 -3.792 3.760 113 HA ARG 18 HA ARG 18 7.023 -2.850 1.283 114 1HB ARG 18 2HB ARG 18 7.345 -2.564 4.061 115 2HB ARG 18 1HB ARG 18 8.768 -3.460 3.525 116 1HG ARG 18 2HG ARG 18 8.118 -1.308 1.679 117 2HG ARG 18 1HG ARG 18 8.371 -0.695 3.314 118 1HD ARG 18 2HD ARG 18 10.386 -2.664 2.812 119 2HD ARG 18 1HD ARG 18 10.361 -1.540 1.439 120 HE ARG 18 HE ARG 18 10.433 -0.548 4.264 121 1HH1 ARG 18 2HH1 ARG 18 12.369 -1.151 1.593 122 2HH1 ARG 18 1HH1 ARG 18 13.048 0.439 1.502 123 1HH2 ARG 18 1HH2 ARG 18 10.924 1.766 3.902 124 2HH2 ARG 18 2HH2 ARG 18 12.229 2.092 2.811 125 H LEU 19 H LEU 19 7.975 -4.241 -0.153 126 HA LEU 19 HA LEU 19 8.166 -7.090 0.349 127 1HB LEU 19 2HB LEU 19 8.399 -5.182 -1.799 128 2HB LEU 19 1HB LEU 19 9.770 -6.290 -1.856 129 HG LEU 19 HG LEU 19 7.653 -7.982 -1.319 130 1HD1 LEU 19 1HD1 LEU 19 6.445 -6.766 -3.618 131 2HD1 LEU 19 2HD1 LEU 19 6.555 -5.559 -2.338 132 3HD1 LEU 19 3HD1 LEU 19 5.721 -7.084 -2.043 133 1HD2 LEU 19 1HD2 LEU 19 8.087 -8.845 -3.487 134 2HD2 LEU 19 2HD2 LEU 19 9.603 -8.080 -3.011 135 3HD2 LEU 19 3HD2 LEU 19 8.510 -7.256 -4.125 136 HA PRO 20 HA PRO 20 12.212 -7.326 2.032 137 1HB PRO 20 2HB PRO 20 13.133 -9.652 0.924 138 2HB PRO 20 1HB PRO 20 11.893 -9.611 2.193 139 1HG PRO 20 2HG PRO 20 11.591 -10.001 -0.736 140 2HG PRO 20 1HG PRO 20 10.696 -10.737 0.601 141 1HD PRO 20 2HD PRO 20 9.747 -8.671 -0.937 142 2HD PRO 20 1HD PRO 20 9.208 -9.014 0.722 143 H SER 21 H SER 21 11.709 -6.825 -1.275 144 HA SER 21 HA SER 21 14.645 -6.544 -1.808 145 1HB SER 21 2HB SER 21 12.953 -8.038 -3.163 146 2HB SER 21 1HB SER 21 12.474 -6.507 -3.889 147 HG SER 21 HG SER 21 15.199 -7.120 -3.668 148 H GLY 22 H GLY 22 12.931 -4.561 -0.368 149 1HA GLY 22 2HA GLY 22 12.728 -2.221 -0.340 150 2HA GLY 22 1HA GLY 22 13.813 -2.187 -1.731 151 H ALA 23 H ALA 23 10.428 -3.043 -0.938 152 HA ALA 23 HA ALA 23 9.507 -1.456 -3.258 153 1HB ALA 23 1HB ALA 23 10.097 -4.195 -3.467 154 2HB ALA 23 2HB ALA 23 9.165 -3.235 -4.616 155 3HB ALA 23 3HB ALA 23 8.340 -4.119 -3.332 156 H TRP 24 H TRP 24 6.952 -1.860 -3.386 157 HA TRP 24 HA TRP 24 5.866 -2.150 -0.609 158 1HB TRP 24 2HB TRP 24 5.771 0.122 -2.549 159 2HB TRP 24 1HB TRP 24 4.340 -0.169 -1.561 160 HD1 TRP 24 HD1 TRP 24 7.427 1.704 -1.478 161 HE1 TRP 24 HE1 TRP 24 8.092 2.346 0.928 162 HE3 TRP 24 HE3 TRP 24 4.347 -1.409 1.150 163 HZ2 TRP 24 HZ2 TRP 24 7.407 1.636 3.613 164 HZ3 TRP 24 HZ3 TRP 24 4.374 -1.405 3.628 165 HH2 TRP 24 HH2 TRP 24 5.899 0.112 4.862 166 H GLY 25 H GLY 25 3.751 -3.013 -0.535 167 1HA GLY 25 2HA GLY 25 2.453 -3.665 -3.138 168 2HA GLY 25 1HA GLY 25 2.736 -4.956 -1.968 169 H CYS 26 H CYS 26 0.262 -3.318 -3.064 170 HA CYS 26 HA CYS 26 -0.902 -2.477 -0.459 171 1HB CYS 26 2HB CYS 26 -0.991 -1.556 -3.098 172 2HB CYS 26 1HB CYS 26 -2.579 -2.282 -2.841 173 H CYS 27 H CYS 27 -1.843 -4.147 0.665 174 HA CYS 27 HA CYS 27 -3.223 -6.315 -0.871 175 1HB CYS 27 2HB CYS 27 -1.749 -6.043 1.696 176 2HB CYS 27 1HB CYS 27 -3.113 -7.161 1.707 177 HG CYS 27 HG CYS 27 -0.661 -7.432 -0.218 178 HA PRO 28 HA PRO 28 -7.096 -4.670 0.439 179 1HB PRO 28 2HB PRO 28 -8.617 -6.933 0.188 180 2HB PRO 28 1HB PRO 28 -8.058 -5.982 -1.204 181 1HG PRO 28 2HG PRO 28 -6.954 -8.509 -0.073 182 2HG PRO 28 1HG PRO 28 -7.150 -8.020 -1.764 183 1HD PRO 28 2HD PRO 28 -4.769 -7.919 -0.458 184 2HD PRO 28 1HD PRO 28 -5.198 -6.811 -1.780 185 H PHE 29 H PHE 29 -8.406 -4.653 2.334 186 HA PHE 29 HA PHE 29 -8.080 -6.810 4.337 187 1HB PHE 29 2HB PHE 29 -6.245 -4.854 4.334 188 2HB PHE 29 1HB PHE 29 -7.501 -4.026 5.254 189 HD1 PHE 29 HD1 PHE 29 -6.347 -7.594 5.099 190 HD2 PHE 29 HD2 PHE 29 -7.050 -4.130 7.538 191 HE1 PHE 29 HE1 PHE 29 -5.731 -8.892 7.119 192 HE2 PHE 29 HE2 PHE 29 -6.434 -5.428 9.559 193 HZ PHE 29 HZ PHE 29 -5.774 -7.809 9.350 194 H THR 30 H THR 30 -10.218 -5.214 2.717 195 HA THR 30 HA THR 30 -11.857 -4.207 5.004 196 HB THR 30 HB THR 30 -13.205 -3.241 3.088 197 HG1 THR 30 HG1 THR 30 -12.550 -3.581 1.079 198 1HG2 THR 30 1HG2 THR 30 -11.222 -1.717 2.332 199 2HG2 THR 30 2HG2 THR 30 -10.291 -2.635 3.515 200 3HG2 THR 30 3HG2 THR 30 -11.702 -1.711 4.029 201 H GLN 31 H GLN 31 -11.451 -7.114 4.392 202 HA GLN 31 HA GLN 31 -13.898 -8.094 3.142 203 1HB GLN 31 2HB GLN 31 -12.990 -10.269 3.933 204 2HB GLN 31 1HB GLN 31 -11.751 -9.304 3.129 205 1HG GLN 31 2HG GLN 31 -10.698 -8.735 5.150 206 2HG GLN 31 1HG GLN 31 -12.129 -9.117 6.110 207 1HE2 GLN 31 1HE2 GLN 31 -10.347 -10.460 7.308 208 2HE2 GLN 31 2HE2 GLN 31 -10.101 -12.047 6.756 Start of MODEL 8 1 H VAL 1 H VAL 1 -8.203 8.707 -3.336 2 HA VAL 1 HA VAL 1 -7.448 5.888 -2.935 3 HB VAL 1 HB VAL 1 -5.221 6.301 -4.061 4 1HG1 VAL 1 1HG1 VAL 1 -6.042 5.793 -6.232 5 2HG1 VAL 1 2HG1 VAL 1 -7.519 6.723 -5.978 6 3HG1 VAL 1 3HG1 VAL 1 -7.283 5.193 -5.133 7 1HG2 VAL 1 1HG2 VAL 1 -5.008 8.210 -5.546 8 2HG2 VAL 1 2HG2 VAL 1 -5.422 8.807 -3.939 9 3HG2 VAL 1 3HG2 VAL 1 -6.660 8.721 -5.193 10 H VAL 2 H VAL 2 -5.680 5.705 -1.374 11 HA VAL 2 HA VAL 2 -5.356 8.176 0.282 12 HB VAL 2 HB VAL 2 -5.141 5.208 0.875 13 1HG1 VAL 2 1HG1 VAL 2 -4.117 5.711 2.818 14 2HG1 VAL 2 2HG1 VAL 2 -5.310 6.958 3.180 15 3HG1 VAL 2 3HG1 VAL 2 -3.893 7.349 2.206 16 1HG2 VAL 2 1HG2 VAL 2 -7.296 7.182 0.937 17 2HG2 VAL 2 2HG2 VAL 2 -7.063 6.407 2.503 18 3HG2 VAL 2 3HG2 VAL 2 -7.386 5.425 1.073 19 H HIS 3 H HIS 3 -3.249 8.804 0.930 20 HA HIS 3 HA HIS 3 -1.061 8.111 -0.832 21 1HB HIS 3 2HB HIS 3 -1.656 10.251 0.584 22 2HB HIS 3 1HB HIS 3 -0.764 9.422 1.861 23 HD1 HIS 3 HD1 HIS 3 -0.013 9.557 -1.876 24 HD2 HIS 3 HD2 HIS 3 1.726 10.633 1.758 25 HE1 HIS 3 HE1 HIS 3 2.315 10.395 -2.416 26 H CYS 4 H CYS 4 -1.079 5.716 -0.458 27 HA CYS 4 HA CYS 4 -0.746 4.252 1.840 28 1HB CYS 4 2HB CYS 4 -0.560 3.704 -0.733 29 2HB CYS 4 1HB CYS 4 1.173 3.850 -0.441 30 H ASP 5 H ASP 5 1.982 5.851 0.130 31 HA ASP 5 HA ASP 5 3.332 6.206 2.764 32 1HB ASP 5 2HB ASP 5 3.857 4.051 1.187 33 2HB ASP 5 1HB ASP 5 5.013 5.209 0.530 34 H MET 6 H MET 6 5.836 6.879 1.286 35 HA MET 6 HA MET 6 5.241 9.687 0.758 36 1HB MET 6 2HB MET 6 7.286 9.174 1.844 37 2HB MET 6 1HB MET 6 7.666 7.887 0.698 38 1HG MET 6 2HG MET 6 8.663 9.331 -0.722 39 2HG MET 6 1HG MET 6 7.304 10.452 -0.642 40 1HE MET 6 1HE MET 6 9.966 11.324 -1.147 41 2HE MET 6 2HE MET 6 11.028 10.399 -0.088 42 3HE MET 6 3HE MET 6 10.871 12.140 0.136 43 H GLU 7 H GLU 7 5.976 6.822 -1.206 44 HA GLU 7 HA GLU 7 5.446 8.480 -3.652 45 1HB GLU 7 2HB GLU 7 7.783 7.114 -2.834 46 2HB GLU 7 1HB GLU 7 7.087 6.149 -4.137 47 1HG GLU 7 2HG GLU 7 8.252 7.644 -5.435 48 2HG GLU 7 1HG GLU 7 6.786 8.598 -5.217 49 H VAL 8 H VAL 8 3.800 6.528 -1.863 50 HA VAL 8 HA VAL 8 2.867 4.780 -4.120 51 HB VAL 8 HB VAL 8 2.852 4.153 -1.153 52 1HG1 VAL 8 1HG1 VAL 8 1.721 2.299 -1.753 53 2HG1 VAL 8 2HG1 VAL 8 2.927 1.912 -2.980 54 3HG1 VAL 8 3HG1 VAL 8 1.574 2.972 -3.376 55 1HG2 VAL 8 1HG2 VAL 8 5.162 4.468 -2.224 56 2HG2 VAL 8 2HG2 VAL 8 4.776 3.061 -3.215 57 3HG2 VAL 8 3HG2 VAL 8 4.863 2.908 -1.459 58 H ILE 9 H ILE 9 0.544 4.455 -4.186 59 HA ILE 9 HA ILE 9 -1.090 6.062 -2.281 60 HB ILE 9 HB ILE 9 -0.457 7.518 -4.166 61 1HG1 ILE 9 2HG1 ILE 9 -3.057 7.444 -5.135 62 2HG1 ILE 9 1HG1 ILE 9 -3.204 6.700 -3.543 63 1HG2 ILE 9 1HG2 ILE 9 -0.619 6.891 -6.373 64 2HG2 ILE 9 2HG2 ILE 9 -2.021 5.861 -6.088 65 3HG2 ILE 9 3HG2 ILE 9 -0.407 5.288 -5.671 66 1HD1 ILE 9 1HD1 ILE 9 -3.235 9.386 -3.939 67 2HD1 ILE 9 2HD1 ILE 9 -1.511 9.131 -3.667 68 3HD1 ILE 9 3HD1 ILE 9 -2.681 8.634 -2.443 69 H CYS 10 H CYS 10 -2.340 4.357 -1.520 70 HA CYS 10 HA CYS 10 -3.760 2.682 -3.568 71 1HB CYS 10 2HB CYS 10 -2.685 2.073 -0.799 72 2HB CYS 10 1HB CYS 10 -3.779 0.987 -1.657 73 HA PRO 11 HA PRO 11 -7.485 4.158 -1.804 74 1HB PRO 11 2HB PRO 11 -9.133 1.983 -2.030 75 2HB PRO 11 1HB PRO 11 -8.638 2.985 -3.408 76 1HG PRO 11 2HG PRO 11 -7.652 0.329 -2.557 77 2HG PRO 11 1HG PRO 11 -7.838 0.997 -4.180 78 1HD PRO 11 2HD PRO 11 -5.438 0.791 -2.837 79 2HD PRO 11 1HD PRO 11 -5.759 1.920 -4.171 80 H ASP 12 H ASP 12 -8.818 4.063 0.099 81 HA ASP 12 HA ASP 12 -7.625 3.368 2.509 82 1HB ASP 12 2HB ASP 12 -9.904 4.584 1.689 83 2HB ASP 12 1HB ASP 12 -10.574 3.091 2.350 84 H GLY 13 H GLY 13 -9.165 1.188 0.272 85 1HA GLY 13 2HA GLY 13 -9.565 -0.890 2.323 86 2HA GLY 13 1HA GLY 13 -9.918 -1.055 0.601 87 H TYR 14 H TYR 14 -6.826 0.116 1.843 88 HA TYR 14 HA TYR 14 -5.572 -2.506 1.148 89 1HB TYR 14 2HB TYR 14 -5.235 0.187 -0.106 90 2HB TYR 14 1HB TYR 14 -3.806 -0.835 0.036 91 HD1 TYR 14 HD1 TYR 14 -3.414 -2.528 -1.535 92 HD2 TYR 14 HD2 TYR 14 -7.366 -0.913 -1.101 93 HE1 TYR 14 HE1 TYR 14 -4.167 -3.859 -3.487 94 HE2 TYR 14 HE2 TYR 14 -8.125 -2.245 -3.054 95 HH TYR 14 HH TYR 14 -6.701 -4.793 -4.205 96 H THR 15 H THR 15 -3.336 -2.654 1.964 97 HA THR 15 HA THR 15 -2.750 -0.792 4.239 98 HB THR 15 HB THR 15 -3.614 -2.806 5.192 99 HG1 THR 15 HG1 THR 15 -0.793 -3.033 5.018 100 1HG2 THR 15 1HG2 THR 15 -2.233 -4.980 4.319 101 2HG2 THR 15 2HG2 THR 15 -2.285 -4.016 2.843 102 3HG2 THR 15 3HG2 THR 15 -3.785 -4.475 3.650 103 H CYS 16 H CYS 16 -0.834 0.207 3.768 104 HA CYS 16 HA CYS 16 0.942 -0.443 1.686 105 1HB CYS 16 2HB CYS 16 0.696 1.396 3.843 106 2HB CYS 16 1HB CYS 16 2.340 0.758 3.889 107 H CYS 17 H CYS 17 2.484 -2.000 1.455 108 HA CYS 17 HA CYS 17 3.694 -3.247 3.877 109 1HB CYS 17 2HB CYS 17 1.610 -4.364 2.337 110 2HB CYS 17 1HB CYS 17 3.073 -5.214 1.836 111 HG CYS 17 HG CYS 17 2.214 -6.448 3.956 112 H ARG 18 H ARG 18 5.886 -3.478 3.552 113 HA ARG 18 HA ARG 18 7.046 -2.747 0.962 114 1HB ARG 18 2HB ARG 18 7.811 -3.036 3.763 115 2HB ARG 18 1HB ARG 18 9.041 -3.687 2.680 116 1HG ARG 18 2HG ARG 18 8.128 -1.246 1.539 117 2HG ARG 18 1HG ARG 18 8.447 -0.938 3.246 118 1HD ARG 18 2HD ARG 18 10.640 -2.409 2.663 119 2HD ARG 18 1HD ARG 18 10.350 -1.668 1.076 120 HE ARG 18 HE ARG 18 10.020 0.455 2.780 121 1HH1 ARG 18 2HH1 ARG 18 12.552 -0.884 1.192 122 2HH1 ARG 18 1HH1 ARG 18 13.792 -0.355 2.280 123 1HH2 ARG 18 1HH2 ARG 18 11.571 0.677 4.733 124 2HH2 ARG 18 2HH2 ARG 18 13.237 0.528 4.284 125 H LEU 19 H LEU 19 7.750 -4.180 -0.578 126 HA LEU 19 HA LEU 19 7.129 -6.968 -0.475 127 1HB LEU 19 2HB LEU 19 8.177 -5.005 -2.267 128 2HB LEU 19 1HB LEU 19 9.259 -6.397 -2.308 129 HG LEU 19 HG LEU 19 6.751 -7.568 -2.307 130 1HD1 LEU 19 1HD1 LEU 19 6.699 -5.170 -4.164 131 2HD1 LEU 19 2HD1 LEU 19 5.767 -5.295 -2.671 132 3HD1 LEU 19 3HD1 LEU 19 5.449 -6.404 -4.005 133 1HD2 LEU 19 1HD2 LEU 19 9.036 -7.575 -3.846 134 2HD2 LEU 19 2HD2 LEU 19 7.833 -6.955 -4.979 135 3HD2 LEU 19 3HD2 LEU 19 7.587 -8.517 -4.198 136 HA PRO 20 HA PRO 20 10.684 -8.643 1.503 137 1HB PRO 20 2HB PRO 20 10.955 -11.028 0.199 138 2HB PRO 20 1HB PRO 20 9.633 -10.695 1.335 139 1HG PRO 20 2HG PRO 20 9.605 -10.782 -1.619 140 2HG PRO 20 1HG PRO 20 8.326 -11.174 -0.462 141 1HD PRO 20 2HD PRO 20 8.527 -8.817 -1.940 142 2HD PRO 20 1HD PRO 20 7.505 -9.067 -0.509 143 H SER 21 H SER 21 11.401 -6.780 -0.610 144 HA SER 21 HA SER 21 14.115 -7.681 -1.154 145 1HB SER 21 2HB SER 21 11.941 -8.153 -3.044 146 2HB SER 21 1HB SER 21 13.235 -7.199 -3.760 147 HG SER 21 HG SER 21 13.291 -9.694 -3.629 148 H GLY 22 H GLY 22 12.603 -5.328 -0.039 149 1HA GLY 22 2HA GLY 22 13.051 -3.015 0.032 150 2HA GLY 22 1HA GLY 22 14.215 -3.248 -1.274 151 H ALA 23 H ALA 23 10.666 -3.511 -0.850 152 HA ALA 23 HA ALA 23 10.283 -1.657 -3.135 153 1HB ALA 23 1HB ALA 23 10.048 -4.576 -3.194 154 2HB ALA 23 2HB ALA 23 10.097 -3.433 -4.537 155 3HB ALA 23 3HB ALA 23 8.570 -3.770 -3.720 156 H TRP 24 H TRP 24 7.829 -1.266 -3.416 157 HA TRP 24 HA TRP 24 6.508 -1.383 -0.723 158 1HB TRP 24 2HB TRP 24 6.877 0.687 -2.815 159 2HB TRP 24 1HB TRP 24 5.276 0.639 -2.072 160 HD1 TRP 24 HD1 TRP 24 8.122 2.572 -1.634 161 HE1 TRP 24 HE1 TRP 24 8.592 3.208 0.820 162 HE3 TRP 24 HE3 TRP 24 5.216 -0.887 0.744 163 HZ2 TRP 24 HZ2 TRP 24 7.834 2.359 3.445 164 HZ3 TRP 24 HZ3 TRP 24 5.108 -0.953 3.217 165 HH2 TRP 24 HH2 TRP 24 6.413 0.665 4.571 166 H GLY 25 H GLY 25 4.276 -1.909 -0.677 167 1HA GLY 25 2HA GLY 25 2.678 -2.283 -3.044 168 2HA GLY 25 1HA GLY 25 3.293 -3.833 -2.464 169 H CYS 26 H CYS 26 0.643 -1.939 -2.287 170 HA CYS 26 HA CYS 26 0.103 -2.394 0.603 171 1HB CYS 26 2HB CYS 26 -1.865 -0.953 0.098 172 2HB CYS 26 1HB CYS 26 -0.353 -0.197 -0.403 173 H CYS 27 H CYS 27 -1.162 -4.089 1.257 174 HA CYS 27 HA CYS 27 -2.483 -5.749 -0.843 175 1HB CYS 27 2HB CYS 27 -0.953 -6.215 1.509 176 2HB CYS 27 1HB CYS 27 -2.576 -6.830 1.827 177 HG CYS 27 HG CYS 27 -1.010 -8.626 0.540 178 HA PRO 28 HA PRO 28 -6.458 -4.347 0.387 179 1HB PRO 28 2HB PRO 28 -7.952 -6.566 -0.195 180 2HB PRO 28 1HB PRO 28 -7.315 -5.471 -1.439 181 1HG PRO 28 2HG PRO 28 -6.260 -8.104 -0.518 182 2HG PRO 28 1HG PRO 28 -6.364 -7.442 -2.157 183 1HD PRO 28 2HD PRO 28 -4.058 -7.470 -0.734 184 2HD PRO 28 1HD PRO 28 -4.438 -6.207 -1.927 185 H PHE 29 H PHE 29 -7.805 -4.452 2.212 186 HA PHE 29 HA PHE 29 -6.888 -6.209 4.401 187 1HB PHE 29 2HB PHE 29 -7.720 -3.612 4.209 188 2HB PHE 29 1HB PHE 29 -9.205 -4.395 4.748 189 HD1 PHE 29 HD1 PHE 29 -6.428 -2.743 5.937 190 HD2 PHE 29 HD2 PHE 29 -8.615 -6.382 6.590 191 HE1 PHE 29 HE1 PHE 29 -5.527 -2.871 8.244 192 HE2 PHE 29 HE2 PHE 29 -7.713 -6.510 8.896 193 HZ PHE 29 HZ PHE 29 -6.169 -4.756 9.724 194 H THR 30 H THR 30 -7.844 -8.178 4.681 195 HA THR 30 HA THR 30 -10.781 -8.426 4.220 196 HB THR 30 HB THR 30 -9.488 -9.082 2.174 197 HG1 THR 30 HG1 THR 30 -10.944 -10.553 1.903 198 1HG2 THR 30 1HG2 THR 30 -7.956 -10.507 4.206 199 2HG2 THR 30 2HG2 THR 30 -7.514 -10.108 2.546 200 3HG2 THR 30 3HG2 THR 30 -8.448 -11.565 2.883 201 H GLN 31 H GLN 31 -9.225 -8.297 6.683 202 HA GLN 31 HA GLN 31 -9.155 -11.099 7.671 203 1HB GLN 31 2HB GLN 31 -7.823 -8.598 8.183 204 2HB GLN 31 1HB GLN 31 -8.552 -9.179 9.681 205 1HG GLN 31 2HG GLN 31 -6.782 -10.564 9.877 206 2HG GLN 31 1HG GLN 31 -7.451 -11.469 8.519 207 1HE2 GLN 31 1HE2 GLN 31 -7.025 -9.349 6.525 208 2HE2 GLN 31 2HE2 GLN 31 -5.349 -9.251 6.266 Start of MODEL 9 1 H VAL 1 H VAL 1 -8.584 9.541 -0.729 2 HA VAL 1 HA VAL 1 -7.321 7.402 -0.626 3 HB VAL 1 HB VAL 1 -5.143 8.234 -1.633 4 1HG1 VAL 1 1HG1 VAL 1 -7.665 9.584 -2.645 5 2HG1 VAL 1 2HG1 VAL 1 -7.231 7.903 -2.961 6 3HG1 VAL 1 3HG1 VAL 1 -6.229 9.209 -3.595 7 1HG2 VAL 1 1HG2 VAL 1 -6.390 10.875 -0.821 8 2HG2 VAL 1 2HG2 VAL 1 -5.119 10.747 -2.037 9 3HG2 VAL 1 3HG2 VAL 1 -4.800 10.255 -0.374 10 H VAL 2 H VAL 2 -4.967 6.642 0.049 11 HA VAL 2 HA VAL 2 -4.276 7.731 2.753 12 HB VAL 2 HB VAL 2 -4.866 4.891 1.883 13 1HG1 VAL 2 1HG1 VAL 2 -3.058 5.902 3.981 14 2HG1 VAL 2 2HG1 VAL 2 -3.150 4.298 3.252 15 3HG1 VAL 2 3HG1 VAL 2 -4.254 4.741 4.555 16 1HG2 VAL 2 1HG2 VAL 2 -6.237 6.973 3.387 17 2HG2 VAL 2 2HG2 VAL 2 -6.038 5.513 4.356 18 3HG2 VAL 2 3HG2 VAL 2 -6.860 5.431 2.798 19 H HIS 3 H HIS 3 -2.490 8.715 1.434 20 HA HIS 3 HA HIS 3 -0.608 7.485 -0.172 21 1HB HIS 3 2HB HIS 3 1.014 9.093 1.095 22 2HB HIS 3 1HB HIS 3 -0.374 9.789 0.262 23 HD1 HIS 3 HD1 HIS 3 -0.678 7.974 3.556 24 HD2 HIS 3 HD2 HIS 3 -0.777 11.885 2.115 25 HE1 HIS 3 HE1 HIS 3 -1.484 9.423 5.471 26 H CYS 4 H CYS 4 0.321 5.502 0.152 27 HA CYS 4 HA CYS 4 0.792 4.364 2.785 28 1HB CYS 4 2HB CYS 4 1.229 3.691 -0.089 29 2HB CYS 4 1HB CYS 4 2.207 2.817 1.092 30 H ASP 5 H ASP 5 2.621 6.332 0.566 31 HA ASP 5 HA ASP 5 4.788 6.632 2.529 32 1HB ASP 5 2HB ASP 5 6.503 5.712 1.066 33 2HB ASP 5 1HB ASP 5 5.233 4.501 1.248 34 H MET 6 H MET 6 6.435 7.377 -0.060 35 HA MET 6 HA MET 6 5.645 10.192 -0.055 36 1HB MET 6 2HB MET 6 7.975 9.631 -0.130 37 2HB MET 6 1HB MET 6 7.729 8.510 -1.469 38 1HG MET 6 2HG MET 6 6.712 11.075 -2.241 39 2HG MET 6 1HG MET 6 8.345 11.288 -1.608 40 1HE MET 6 1HE MET 6 8.085 11.010 -5.673 41 2HE MET 6 2HE MET 6 8.325 12.161 -4.360 42 3HE MET 6 3HE MET 6 6.753 11.394 -4.574 43 H GLU 7 H GLU 7 5.597 7.511 -2.414 44 HA GLU 7 HA GLU 7 3.766 9.167 -4.124 45 1HB GLU 7 2HB GLU 7 5.923 8.848 -5.177 46 2HB GLU 7 1HB GLU 7 5.906 7.126 -4.799 47 1HG GLU 7 2HG GLU 7 5.129 6.962 -6.947 48 2HG GLU 7 1HG GLU 7 3.582 7.310 -6.175 49 H VAL 8 H VAL 8 4.708 5.733 -3.692 50 HA VAL 8 HA VAL 8 2.478 4.432 -4.653 51 HB VAL 8 HB VAL 8 4.561 3.997 -2.624 52 1HG1 VAL 8 1HG1 VAL 8 2.859 3.357 -1.097 53 2HG1 VAL 8 2HG1 VAL 8 3.392 1.844 -1.827 54 3HG1 VAL 8 3HG1 VAL 8 1.893 2.601 -2.363 55 1HG2 VAL 8 1HG2 VAL 8 3.641 2.943 -5.127 56 2HG2 VAL 8 2HG2 VAL 8 3.753 1.621 -3.966 57 3HG2 VAL 8 3HG2 VAL 8 5.165 2.625 -4.298 58 H ILE 9 H ILE 9 0.324 4.528 -4.192 59 HA ILE 9 HA ILE 9 -0.591 5.008 -1.415 60 HB ILE 9 HB ILE 9 -0.287 7.248 -2.329 61 1HG1 ILE 9 2HG1 ILE 9 -3.237 6.654 -2.602 62 2HG1 ILE 9 1HG1 ILE 9 -2.425 6.586 -1.038 63 1HG2 ILE 9 1HG2 ILE 9 -1.946 7.673 -4.400 64 2HG2 ILE 9 2HG2 ILE 9 -1.559 5.979 -4.707 65 3HG2 ILE 9 3HG2 ILE 9 -0.268 7.178 -4.628 66 1HD1 ILE 9 1HD1 ILE 9 -3.054 8.804 -1.017 67 2HD1 ILE 9 2HD1 ILE 9 -2.998 8.945 -2.774 68 3HD1 ILE 9 3HD1 ILE 9 -1.502 8.964 -1.840 69 H CYS 10 H CYS 10 -2.670 4.130 -1.073 70 HA CYS 10 HA CYS 10 -3.826 2.634 -3.396 71 1HB CYS 10 2HB CYS 10 -3.159 2.029 -0.668 72 2HB CYS 10 1HB CYS 10 -4.897 1.817 -0.887 73 HA PRO 11 HA PRO 11 -7.499 5.027 -3.088 74 1HB PRO 11 2HB PRO 11 -9.348 3.227 -3.979 75 2HB PRO 11 1HB PRO 11 -8.152 3.989 -5.046 76 1HG PRO 11 2HG PRO 11 -8.203 1.254 -3.912 77 2HG PRO 11 1HG PRO 11 -7.565 1.828 -5.458 78 1HD PRO 11 2HD PRO 11 -6.049 1.226 -3.209 79 2HD PRO 11 1HD PRO 11 -5.508 2.205 -4.588 80 H ASP 12 H ASP 12 -6.773 3.873 -0.531 81 HA ASP 12 HA ASP 12 -7.768 3.489 1.559 82 1HB ASP 12 2HB ASP 12 -10.367 4.009 0.105 83 2HB ASP 12 1HB ASP 12 -9.991 4.320 1.800 84 H GLY 13 H GLY 13 -8.369 1.641 2.566 85 1HA GLY 13 2HA GLY 13 -9.713 -0.368 2.831 86 2HA GLY 13 1HA GLY 13 -9.995 -0.366 1.089 87 H TYR 14 H TYR 14 -6.781 0.355 1.580 88 HA TYR 14 HA TYR 14 -5.998 -2.537 1.378 89 1HB TYR 14 2HB TYR 14 -5.075 -0.073 -0.125 90 2HB TYR 14 1HB TYR 14 -4.210 -1.608 -0.184 91 HD1 TYR 14 HD1 TYR 14 -5.432 -3.679 -0.988 92 HD2 TYR 14 HD2 TYR 14 -7.037 0.283 -1.424 93 HE1 TYR 14 HE1 TYR 14 -7.002 -4.507 -2.721 94 HE2 TYR 14 HE2 TYR 14 -8.607 -0.545 -3.156 95 HH TYR 14 HH TYR 14 -9.665 -2.767 -3.769 96 H THR 15 H THR 15 -3.670 -2.888 2.013 97 HA THR 15 HA THR 15 -2.867 -0.986 4.189 98 HB THR 15 HB THR 15 -3.644 -3.312 4.798 99 HG1 THR 15 HG1 THR 15 -2.323 -2.436 6.269 100 1HG2 THR 15 1HG2 THR 15 -2.762 -5.147 3.818 101 2HG2 THR 15 2HG2 THR 15 -1.115 -4.545 4.001 102 3HG2 THR 15 3HG2 THR 15 -2.088 -4.044 2.619 103 H CYS 16 H CYS 16 -0.708 -0.316 4.243 104 HA CYS 16 HA CYS 16 0.817 -0.513 1.762 105 1HB CYS 16 2HB CYS 16 1.654 0.588 4.458 106 2HB CYS 16 1HB CYS 16 2.243 1.078 2.870 107 H CYS 17 H CYS 17 1.609 -2.626 1.462 108 HA CYS 17 HA CYS 17 3.190 -3.821 3.706 109 1HB CYS 17 2HB CYS 17 1.300 -4.778 1.731 110 2HB CYS 17 1HB CYS 17 2.821 -5.659 1.595 111 HG CYS 17 HG CYS 17 1.214 -6.732 3.465 112 H ARG 18 H ARG 18 5.388 -4.014 3.441 113 HA ARG 18 HA ARG 18 6.583 -3.061 0.896 114 1HB ARG 18 2HB ARG 18 7.207 -3.108 3.735 115 2HB ARG 18 1HB ARG 18 8.562 -3.717 2.784 116 1HG ARG 18 2HG ARG 18 7.501 -1.444 1.424 117 2HG ARG 18 1HG ARG 18 7.719 -1.005 3.119 118 1HD ARG 18 2HD ARG 18 10.057 -2.185 2.846 119 2HD ARG 18 1HD ARG 18 9.785 -1.886 1.117 120 HE ARG 18 HE ARG 18 9.364 0.379 2.992 121 1HH1 ARG 18 1HH2 ARG 18 9.868 -0.053 -0.158 122 2HH1 ARG 18 2HH2 ARG 18 11.342 0.847 -0.296 123 1HH2 ARG 18 2HH1 ARG 18 11.847 1.053 3.129 124 2HH2 ARG 18 1HH1 ARG 18 12.463 1.471 1.566 125 H LEU 19 H LEU 19 7.956 -4.379 -0.369 126 HA LEU 19 HA LEU 19 7.532 -7.269 -0.146 127 1HB LEU 19 2HB LEU 19 8.244 -5.300 -2.094 128 2HB LEU 19 1HB LEU 19 9.510 -6.531 -2.078 129 HG LEU 19 HG LEU 19 7.370 -8.149 -1.985 130 1HD1 LEU 19 1HD1 LEU 19 6.444 -5.548 -3.195 131 2HD1 LEU 19 2HD1 LEU 19 5.610 -6.584 -2.037 132 3HD1 LEU 19 3HD1 LEU 19 5.752 -7.082 -3.723 133 1HD2 LEU 19 1HD2 LEU 19 7.974 -8.715 -4.129 134 2HD2 LEU 19 2HD2 LEU 19 9.318 -7.628 -3.779 135 3HD2 LEU 19 3HD2 LEU 19 7.927 -7.045 -4.694 136 HA PRO 20 HA PRO 20 11.264 -8.319 1.900 137 1HB PRO 20 2HB PRO 20 12.056 -10.575 0.573 138 2HB PRO 20 1HB PRO 20 10.661 -10.536 1.668 139 1HG PRO 20 2HG PRO 20 10.737 -10.476 -1.302 140 2HG PRO 20 1HG PRO 20 9.583 -11.264 -0.216 141 1HD PRO 20 2HD PRO 20 9.103 -8.900 -1.520 142 2HD PRO 20 1HD PRO 20 8.304 -9.388 -0.011 143 H SER 21 H SER 21 11.317 -7.094 -1.191 144 HA SER 21 HA SER 21 14.314 -7.221 -1.339 145 1HB SER 21 2HB SER 21 12.912 -6.456 -3.779 146 2HB SER 21 1HB SER 21 14.058 -7.767 -3.521 147 HG SER 21 HG SER 21 11.317 -7.784 -3.558 148 H GLY 22 H GLY 22 12.641 -5.260 0.162 149 1HA GLY 22 2HA GLY 22 12.670 -2.939 0.523 150 2HA GLY 22 1HA GLY 22 13.956 -2.846 -0.682 151 H ALA 23 H ALA 23 10.639 -4.059 -1.094 152 HA ALA 23 HA ALA 23 10.219 -1.902 -3.141 153 1HB ALA 23 1HB ALA 23 9.799 -4.849 -3.072 154 2HB ALA 23 2HB ALA 23 10.262 -3.815 -4.424 155 3HB ALA 23 3HB ALA 23 8.576 -3.901 -3.917 156 H TRP 24 H TRP 24 7.650 -1.876 -3.597 157 HA TRP 24 HA TRP 24 6.261 -1.817 -0.936 158 1HB TRP 24 2HB TRP 24 6.729 0.221 -3.031 159 2HB TRP 24 1HB TRP 24 5.081 0.162 -2.407 160 HD1 TRP 24 HD1 TRP 24 8.078 1.949 -1.764 161 HE1 TRP 24 HE1 TRP 24 8.282 2.707 0.692 162 HE3 TRP 24 HE3 TRP 24 4.534 -1.038 0.379 163 HZ2 TRP 24 HZ2 TRP 24 7.098 2.122 3.230 164 HZ3 TRP 24 HZ3 TRP 24 4.094 -0.919 2.814 165 HH2 TRP 24 HH2 TRP 24 5.369 0.656 4.241 166 H GLY 25 H GLY 25 4.025 -2.368 -1.004 167 1HA GLY 25 2HA GLY 25 2.690 -2.929 -3.540 168 2HA GLY 25 1HA GLY 25 3.113 -4.386 -2.636 169 H CYS 26 H CYS 26 0.437 -3.080 -3.239 170 HA CYS 26 HA CYS 26 -0.514 -2.369 -0.515 171 1HB CYS 26 2HB CYS 26 -1.166 -1.761 -3.243 172 2HB CYS 26 1HB CYS 26 -2.587 -2.469 -2.474 173 H CYS 27 H CYS 27 -1.641 -3.829 0.741 174 HA CYS 27 HA CYS 27 -2.516 -6.389 -0.568 175 1HB CYS 27 2HB CYS 27 -1.123 -5.730 2.016 176 2HB CYS 27 1HB CYS 27 -2.082 -7.205 1.895 177 HG CYS 27 HG CYS 27 0.078 -6.735 -0.288 178 HA PRO 28 HA PRO 28 -6.508 -5.329 0.968 179 1HB PRO 28 2HB PRO 28 -7.666 -7.808 0.856 180 2HB PRO 28 1HB PRO 28 -7.349 -6.823 -0.587 181 1HG PRO 28 2HG PRO 28 -5.830 -9.137 0.499 182 2HG PRO 28 1HG PRO 28 -6.155 -8.686 -1.181 183 1HD PRO 28 2HD PRO 28 -3.771 -8.239 0.093 184 2HD PRO 28 1HD PRO 28 -4.357 -7.282 -1.285 185 H PHE 29 H PHE 29 -7.725 -5.532 2.943 186 HA PHE 29 HA PHE 29 -6.930 -7.548 4.941 187 1HB PHE 29 2HB PHE 29 -5.403 -5.305 4.738 188 2HB PHE 29 1HB PHE 29 -6.627 -4.750 5.881 189 HD1 PHE 29 HD1 PHE 29 -5.915 -4.937 8.089 190 HD2 PHE 29 HD2 PHE 29 -4.860 -8.012 5.282 191 HE1 PHE 29 HE1 PHE 29 -4.803 -6.211 9.902 192 HE2 PHE 29 HE2 PHE 29 -3.747 -9.286 7.094 193 HZ PHE 29 HZ PHE 29 -3.719 -8.386 9.405 194 H THR 30 H THR 30 -9.437 -7.303 3.905 195 HA THR 30 HA THR 30 -10.989 -5.739 5.942 196 HB THR 30 HB THR 30 -11.207 -5.126 3.518 197 HG1 THR 30 HG1 THR 30 -13.647 -5.801 3.611 198 1HG2 THR 30 1HG2 THR 30 -11.215 -6.819 2.036 199 2HG2 THR 30 2HG2 THR 30 -12.853 -7.191 2.572 200 3HG2 THR 30 3HG2 THR 30 -11.476 -8.006 3.315 201 H GLN 31 H GLN 31 -9.849 -8.483 6.268 202 HA GLN 31 HA GLN 31 -11.805 -10.522 5.904 203 1HB GLN 31 2HB GLN 31 -9.740 -10.187 8.105 204 2HB GLN 31 1HB GLN 31 -10.439 -11.711 7.551 205 1HG GLN 31 2HG GLN 31 -9.213 -10.025 5.443 206 2HG GLN 31 1HG GLN 31 -8.090 -10.722 6.610 207 1HE2 GLN 31 1HE2 GLN 31 -10.127 -11.435 3.881 208 2HE2 GLN 31 2HE2 GLN 31 -9.835 -13.107 3.838 Start of MODEL 10 1 H VAL 1 H VAL 1 -6.727 10.641 0.385 2 HA VAL 1 HA VAL 1 -6.184 8.378 -0.032 3 HB VAL 1 HB VAL 1 -3.978 8.189 -1.343 4 1HG1 VAL 1 1HG1 VAL 1 -5.911 10.290 -2.352 5 2HG1 VAL 1 2HG1 VAL 1 -6.293 8.568 -2.316 6 3HG1 VAL 1 3HG1 VAL 1 -4.959 9.156 -3.311 7 1HG2 VAL 1 1HG2 VAL 1 -2.945 10.196 -0.264 8 2HG2 VAL 1 2HG2 VAL 1 -4.130 11.210 -1.087 9 3HG2 VAL 1 3HG2 VAL 1 -2.947 10.298 -2.025 10 H VAL 2 H VAL 2 -4.429 6.675 0.500 11 HA VAL 2 HA VAL 2 -3.219 7.366 3.144 12 HB VAL 2 HB VAL 2 -3.793 4.681 1.848 13 1HG1 VAL 2 1HG1 VAL 2 -3.506 5.305 4.787 14 2HG1 VAL 2 2HG1 VAL 2 -2.100 4.923 3.792 15 3HG1 VAL 2 3HG1 VAL 2 -3.394 3.740 3.981 16 1HG2 VAL 2 1HG2 VAL 2 -5.797 6.232 2.251 17 2HG2 VAL 2 2HG2 VAL 2 -5.435 6.077 3.971 18 3HG2 VAL 2 3HG2 VAL 2 -5.867 4.651 3.028 19 H HIS 3 H HIS 3 -1.682 8.394 1.201 20 HA HIS 3 HA HIS 3 0.134 6.898 -0.276 21 1HB HIS 3 2HB HIS 3 1.518 8.851 -0.142 22 2HB HIS 3 1HB HIS 3 -0.141 9.427 0.022 23 HD1 HIS 3 HD1 HIS 3 -0.617 8.692 2.999 24 HD2 HIS 3 HD2 HIS 3 2.811 10.609 1.599 25 HE1 HIS 3 HE1 HIS 3 0.380 9.913 4.980 26 H CYS 4 H CYS 4 1.670 5.392 0.252 27 HA CYS 4 HA CYS 4 2.214 4.762 3.068 28 1HB CYS 4 2HB CYS 4 3.443 3.672 0.516 29 2HB CYS 4 1HB CYS 4 3.395 2.878 2.090 30 H ASP 5 H ASP 5 3.873 6.259 0.331 31 HA ASP 5 HA ASP 5 5.945 7.303 2.204 32 1HB ASP 5 2HB ASP 5 6.516 5.050 1.001 33 2HB ASP 5 1HB ASP 5 6.721 6.061 -0.430 34 H MET 6 H MET 6 5.267 7.163 -1.315 35 HA MET 6 HA MET 6 4.538 9.941 -1.545 36 1HB MET 6 2HB MET 6 6.691 10.678 -2.622 37 2HB MET 6 1HB MET 6 6.869 10.281 -0.913 38 1HG MET 6 2HG MET 6 7.785 8.106 -1.445 39 2HG MET 6 1HG MET 6 7.434 8.328 -3.159 40 1HE MET 6 1HE MET 6 8.520 11.731 -3.312 41 2HE MET 6 2HE MET 6 7.978 10.384 -4.309 42 3HE MET 6 3HE MET 6 9.640 10.958 -4.443 43 H GLU 7 H GLU 7 6.014 7.110 -3.091 44 HA GLU 7 HA GLU 7 4.679 7.840 -5.668 45 1HB GLU 7 2HB GLU 7 7.234 7.294 -5.272 46 2HB GLU 7 1HB GLU 7 6.673 5.622 -5.291 47 1HG GLU 7 2HG GLU 7 6.033 5.714 -7.514 48 2HG GLU 7 1HG GLU 7 5.734 7.451 -7.464 49 H VAL 8 H VAL 8 5.291 5.011 -3.547 50 HA VAL 8 HA VAL 8 3.128 3.487 -4.854 51 HB VAL 8 HB VAL 8 4.523 2.653 -2.328 52 1HG1 VAL 8 1HG1 VAL 8 4.649 0.552 -3.980 53 2HG1 VAL 8 2HG1 VAL 8 3.313 1.404 -4.753 54 3HG1 VAL 8 3HG1 VAL 8 3.190 0.922 -3.062 55 1HG2 VAL 8 1HG2 VAL 8 6.343 1.764 -4.023 56 2HG2 VAL 8 2HG2 VAL 8 6.466 3.404 -3.387 57 3HG2 VAL 8 3HG2 VAL 8 5.811 3.132 -5.002 58 H ILE 9 H ILE 9 1.105 4.292 -4.285 59 HA ILE 9 HA ILE 9 0.557 4.607 -1.349 60 HB ILE 9 HB ILE 9 0.538 6.751 -2.398 61 1HG1 ILE 9 2HG1 ILE 9 -1.616 5.851 -1.087 62 2HG1 ILE 9 1HG1 ILE 9 -1.572 7.466 -1.785 63 1HG2 ILE 9 1HG2 ILE 9 -1.095 5.438 -4.588 64 2HG2 ILE 9 2HG2 ILE 9 0.561 6.030 -4.721 65 3HG2 ILE 9 3HG2 ILE 9 -0.767 7.168 -4.489 66 1HD1 ILE 9 1HD1 ILE 9 -2.816 4.994 -3.030 67 2HD1 ILE 9 2HD1 ILE 9 -2.663 6.546 -3.850 68 3HD1 ILE 9 3HD1 ILE 9 -3.669 6.406 -2.410 69 H CYS 10 H CYS 10 -1.684 4.030 -0.730 70 HA CYS 10 HA CYS 10 -2.960 2.089 -2.636 71 1HB CYS 10 2HB CYS 10 -2.909 2.077 0.400 72 2HB CYS 10 1HB CYS 10 -3.550 0.805 -0.640 73 HA PRO 11 HA PRO 11 -6.575 4.539 -2.079 74 1HB PRO 11 2HB PRO 11 -8.483 2.737 -2.840 75 2HB PRO 11 1HB PRO 11 -7.377 3.525 -3.980 76 1HG PRO 11 2HG PRO 11 -7.380 0.764 -2.975 77 2HG PRO 11 1HG PRO 11 -6.730 1.419 -4.480 78 1HD PRO 11 2HD PRO 11 -5.270 0.723 -2.164 79 2HD PRO 11 1HD PRO 11 -4.664 1.578 -3.597 80 H ASP 12 H ASP 12 -5.608 3.084 0.357 81 HA ASP 12 HA ASP 12 -6.428 2.765 2.548 82 1HB ASP 12 2HB ASP 12 -7.875 4.718 1.538 83 2HB ASP 12 1HB ASP 12 -9.153 3.503 1.520 84 H GLY 13 H GLY 13 -9.012 1.780 0.257 85 1HA GLY 13 2HA GLY 13 -10.183 -0.275 1.676 86 2HA GLY 13 1HA GLY 13 -9.968 -0.349 -0.072 87 H TYR 14 H TYR 14 -6.941 -0.256 0.371 88 HA TYR 14 HA TYR 14 -6.666 -3.158 1.067 89 1HB TYR 14 2HB TYR 14 -4.950 -1.364 -0.678 90 2HB TYR 14 1HB TYR 14 -4.811 -3.116 -0.524 91 HD1 TYR 14 HD1 TYR 14 -7.264 -0.439 -1.439 92 HD2 TYR 14 HD2 TYR 14 -6.011 -4.513 -1.973 93 HE1 TYR 14 HE1 TYR 14 -8.971 -0.732 -3.215 94 HE2 TYR 14 HE2 TYR 14 -7.715 -4.805 -3.752 95 HH TYR 14 HH TYR 14 -9.135 -2.423 -5.343 96 H THR 15 H THR 15 -4.337 -3.661 1.804 97 HA THR 15 HA THR 15 -3.521 -1.678 3.888 98 HB THR 15 HB THR 15 -2.843 -3.567 5.146 99 HG1 THR 15 HG1 THR 15 -2.548 -5.608 4.106 100 1HG2 THR 15 1HG2 THR 15 -4.733 -5.006 5.206 101 2HG2 THR 15 2HG2 THR 15 -5.048 -4.793 3.484 102 3HG2 THR 15 3HG2 THR 15 -5.353 -3.467 4.607 103 H CYS 16 H CYS 16 -1.449 -0.794 3.726 104 HA CYS 16 HA CYS 16 0.106 -1.448 1.306 105 1HB CYS 16 2HB CYS 16 -0.490 0.857 2.401 106 2HB CYS 16 1HB CYS 16 0.894 0.515 3.441 107 H CYS 17 H CYS 17 1.296 -3.322 1.564 108 HA CYS 17 HA CYS 17 2.923 -3.637 4.058 109 1HB CYS 17 2HB CYS 17 2.997 -5.997 3.383 110 2HB CYS 17 1HB CYS 17 1.324 -5.437 3.369 111 HG CYS 17 HG CYS 17 2.451 -6.693 1.049 112 H ARG 18 H ARG 18 5.185 -3.645 3.861 113 HA ARG 18 HA ARG 18 6.322 -2.615 1.383 114 1HB ARG 18 2HB ARG 18 6.914 -2.473 4.039 115 2HB ARG 18 1HB ARG 18 8.087 -3.679 3.503 116 1HG ARG 18 2HG ARG 18 8.941 -2.180 1.799 117 2HG ARG 18 1HG ARG 18 7.677 -1.000 2.143 118 1HD ARG 18 2HD ARG 18 8.610 -0.955 4.552 119 2HD ARG 18 1HD ARG 18 10.035 -1.768 3.874 120 HE ARG 18 HE ARG 18 9.051 0.700 2.535 121 1HH1 ARG 18 1HH2 ARG 18 10.642 0.739 5.268 122 2HH1 ARG 18 2HH2 ARG 18 12.212 1.151 4.664 123 1HH2 ARG 18 2HH1 ARG 18 11.410 0.476 1.359 124 2HH2 ARG 18 1HH1 ARG 18 12.647 1.002 2.451 125 H LEU 19 H LEU 19 7.436 -3.742 -0.172 126 HA LEU 19 HA LEU 19 7.215 -6.636 -0.291 127 1HB LEU 19 2HB LEU 19 7.811 -4.381 -1.967 128 2HB LEU 19 1HB LEU 19 9.084 -5.585 -2.175 129 HG LEU 19 HG LEU 19 7.018 -7.253 -2.270 130 1HD1 LEU 19 1HD1 LEU 19 5.215 -5.767 -1.877 131 2HD1 LEU 19 2HD1 LEU 19 5.199 -6.011 -3.624 132 3HD1 LEU 19 3HD1 LEU 19 5.888 -4.535 -2.945 133 1HD2 LEU 19 1HD2 LEU 19 7.146 -5.795 -4.807 134 2HD2 LEU 19 2HD2 LEU 19 7.658 -7.441 -4.436 135 3HD2 LEU 19 3HD2 LEU 19 8.742 -6.088 -4.115 136 HA PRO 20 HA PRO 20 11.142 -7.865 1.252 137 1HB PRO 20 2HB PRO 20 12.223 -9.440 -0.708 138 2HB PRO 20 1HB PRO 20 10.848 -9.949 0.293 139 1HG PRO 20 2HG PRO 20 10.875 -8.892 -2.488 140 2HG PRO 20 1HG PRO 20 9.872 -10.163 -1.772 141 1HD PRO 20 2HD PRO 20 8.995 -7.615 -2.223 142 2HD PRO 20 1HD PRO 20 8.341 -8.674 -0.955 143 H SER 21 H SER 21 11.027 -5.983 -1.606 144 HA SER 21 HA SER 21 13.983 -5.505 -1.537 145 1HB SER 21 2HB SER 21 13.041 -6.238 -3.678 146 2HB SER 21 1HB SER 21 11.841 -4.951 -3.616 147 HG SER 21 HG SER 21 13.822 -4.562 -4.891 148 H GLY 22 H GLY 22 11.908 -4.346 0.328 149 1HA GLY 22 2HA GLY 22 11.671 -2.255 1.386 150 2HA GLY 22 1HA GLY 22 12.851 -1.604 0.247 151 H ALA 23 H ALA 23 10.314 -3.238 -1.315 152 HA ALA 23 HA ALA 23 9.267 -0.698 -2.380 153 1HB ALA 23 1HB ALA 23 7.787 -2.705 -3.488 154 2HB ALA 23 2HB ALA 23 9.227 -3.597 -2.996 155 3HB ALA 23 3HB ALA 23 9.373 -2.221 -4.090 156 H TRP 24 H TRP 24 6.645 -1.055 -2.774 157 HA TRP 24 HA TRP 24 5.416 -1.767 -0.142 158 1HB TRP 24 2HB TRP 24 5.471 0.830 -1.631 159 2HB TRP 24 1HB TRP 24 4.014 0.420 -0.727 160 HD1 TRP 24 HD1 TRP 24 7.146 2.145 -0.277 161 HE1 TRP 24 HE1 TRP 24 7.800 2.313 2.209 162 HE3 TRP 24 HE3 TRP 24 3.953 -1.309 1.714 163 HZ2 TRP 24 HZ2 TRP 24 7.068 1.139 4.713 164 HZ3 TRP 24 HZ3 TRP 24 3.951 -1.762 4.149 165 HH2 TRP 24 HH2 TRP 24 5.504 -0.545 5.651 166 H GLY 25 H GLY 25 3.261 -2.540 -0.338 167 1HA GLY 25 2HA GLY 25 2.049 -2.554 -3.050 168 2HA GLY 25 1HA GLY 25 2.337 -4.109 -2.269 169 H CYS 26 H CYS 26 -0.251 -2.899 -2.995 170 HA CYS 26 HA CYS 26 -1.443 -2.446 -0.284 171 1HB CYS 26 2HB CYS 26 -2.715 -1.965 -2.987 172 2HB CYS 26 1HB CYS 26 -3.145 -1.238 -1.440 173 H CYS 27 H CYS 27 -2.063 -4.458 0.494 174 HA CYS 27 HA CYS 27 -3.291 -6.421 -1.380 175 1HB CYS 27 2HB CYS 27 -1.750 -6.433 1.107 176 2HB CYS 27 1HB CYS 27 -3.143 -7.515 1.174 177 HG CYS 27 HG CYS 27 -2.173 -8.923 -0.695 178 HA PRO 28 HA PRO 28 -7.256 -5.145 0.136 179 1HB PRO 28 2HB PRO 28 -8.723 -7.154 -0.998 180 2HB PRO 28 1HB PRO 28 -8.098 -5.771 -1.916 181 1HG PRO 28 2HG PRO 28 -7.056 -8.549 -1.736 182 2HG PRO 28 1HG PRO 28 -7.118 -7.453 -3.125 183 1HD PRO 28 2HD PRO 28 -4.860 -7.931 -1.659 184 2HD PRO 28 1HD PRO 28 -5.153 -6.432 -2.569 185 H PHE 29 H PHE 29 -8.693 -5.802 1.809 186 HA PHE 29 HA PHE 29 -7.914 -8.329 3.230 187 1HB PHE 29 2HB PHE 29 -7.594 -5.810 4.096 188 2HB PHE 29 1HB PHE 29 -9.270 -6.043 4.594 189 HD1 PHE 29 HD1 PHE 29 -5.851 -7.513 4.843 190 HD2 PHE 29 HD2 PHE 29 -9.814 -7.352 6.492 191 HE1 PHE 29 HE1 PHE 29 -5.088 -8.829 6.803 192 HE2 PHE 29 HE2 PHE 29 -9.053 -8.668 8.452 193 HZ PHE 29 HZ PHE 29 -6.690 -9.406 8.606 194 H THR 30 H THR 30 -9.535 -9.721 2.424 195 HA THR 30 HA THR 30 -12.315 -9.058 3.268 196 HB THR 30 HB THR 30 -12.079 -8.353 0.931 197 HG1 THR 30 HG1 THR 30 -13.555 -10.630 1.580 198 1HG2 THR 30 1HG2 THR 30 -10.680 -9.434 -0.452 199 2HG2 THR 30 2HG2 THR 30 -11.682 -10.882 -0.347 200 3HG2 THR 30 3HG2 THR 30 -10.372 -10.631 0.806 201 H GLN 31 H GLN 31 -12.380 -10.723 4.806 202 HA GLN 31 HA GLN 31 -11.626 -13.477 3.913 203 1HB GLN 31 2HB GLN 31 -12.315 -12.586 6.716 204 2HB GLN 31 1HB GLN 31 -11.274 -13.917 6.214 205 1HG GLN 31 2HG GLN 31 -10.694 -10.953 6.103 206 2HG GLN 31 1HG GLN 31 -9.783 -12.211 6.939 207 1HE2 GLN 31 1HE2 GLN 31 -9.471 -14.159 4.972 208 2HE2 GLN 31 2HE2 GLN 31 -8.604 -13.527 3.657
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