NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
625465 | 6ceg | 30405 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 1 HT1 CYS 1 -9.508 -5.745 -1.577 2 H2 CYS 1 HT2 CYS 1 -9.801 -5.808 0.084 3 H3 CYS 1 HT3 CYS 1 -8.935 -7.048 -0.679 4 HA CYS 1 HA CYS 1 -8.093 -4.239 -0.463 5 HB2 CYS 1 HB2 CYS 1 -6.293 -5.180 0.967 6 HB3 CYS 1 HB1 CYS 1 -7.883 -5.231 1.698 7 H LYS 2 H LYS 2 -5.943 -3.938 -1.091 8 HA LYS 2 HA LYS 2 -5.346 -5.385 -3.511 9 HB2 LYS 2 HB2 LYS 2 -4.099 -2.972 -2.240 10 HB3 LYS 2 HB1 LYS 2 -3.505 -3.705 -3.718 11 HG2 LYS 2 HG2 LYS 2 -5.600 -3.268 -4.821 12 HG3 LYS 2 HG1 LYS 2 -6.269 -2.601 -3.326 13 HD2 LYS 2 HD2 LYS 2 -4.703 -0.818 -3.338 14 HD3 LYS 2 HD1 LYS 2 -3.797 -1.549 -4.656 15 HE2 LYS 2 HE2 LYS 2 -5.134 0.308 -5.452 16 HE3 LYS 2 HE1 LYS 2 -5.688 -1.209 -6.146 17 HZ1 LYS 2 HZ1 LYS 2 -6.892 0.080 -3.794 18 HZ2 LYS 2 HZ2 LYS 2 -7.546 -1.229 -4.661 19 HZ3 LYS 2 HZ3 LYS 2 -7.454 0.317 -5.364 20 HA PRO 3 HA PRO 3 -2.335 -8.135 -1.639 21 HB2 PRO 3 HB2 PRO 3 -1.221 -8.284 -4.375 22 HB3 PRO 3 HB1 PRO 3 -1.859 -9.576 -3.360 23 HG2 PRO 3 HG2 PRO 3 -3.209 -8.692 -5.493 24 HG3 PRO 3 HG1 PRO 3 -4.031 -9.193 -4.005 25 HD2 PRO 3 HD2 PRO 3 -3.467 -6.437 -5.018 26 HD3 PRO 3 HD1 PRO 3 -4.911 -7.105 -4.221 27 HA HYP 4 HA HYP 4 1.378 -5.759 -0.948 28 HB2 HYP 4 HB1 HYP 4 3.014 -7.206 -0.130 29 HB3 HYP 4 HB2 HYP 4 2.758 -8.381 -1.433 30 HG HYP 4 HG HYP 4 1.627 -9.297 0.490 31 HD22 HYP 4 HD11 HYP 4 -0.843 -8.535 -0.258 32 HD23 HYP 4 HD12 HYP 4 0.159 -9.441 -1.417 33 HD1 HYP 4 HD2 HYP 4 1.589 -6.972 1.341 34 H GLY 5 H GLY 5 2.643 -4.551 -2.192 35 HA2 GLY 5 HA2 GLY 5 4.131 -4.098 -3.912 36 HA3 GLY 5 HA1 GLY 5 3.648 -5.594 -4.692 37 H SER 6 H SER 6 0.764 -4.609 -4.149 38 HA SER 6 HA SER 6 0.366 -3.469 -6.706 39 HB2 SER 6 HB2 SER 6 -1.411 -4.624 -5.895 40 HB3 SER 6 HB1 SER 6 -1.493 -3.720 -4.333 41 HG SER 6 HG SER 6 -2.351 -1.996 -5.619 42 H LYS 7 H LYS 7 -0.848 -1.643 -6.858 43 HA LYS 7 HA LYS 7 0.645 0.616 -5.642 44 HB2 LYS 7 HB2 LYS 7 0.511 0.596 -8.140 45 HB3 LYS 7 HB1 LYS 7 -1.240 0.672 -8.035 46 HG2 LYS 7 HG2 LYS 7 -1.081 2.864 -6.973 47 HG3 LYS 7 HG1 LYS 7 0.676 2.783 -7.075 48 HD2 LYS 7 HD2 LYS 7 0.530 2.667 -9.514 49 HD3 LYS 7 HD1 LYS 7 -1.229 2.750 -9.418 50 HE2 LYS 7 HE2 LYS 7 -1.123 4.948 -8.429 51 HE3 LYS 7 HE1 LYS 7 0.634 4.866 -8.359 52 HZ1 LYS 7 HZ1 LYS 7 -0.998 4.881 -10.832 53 HZ2 LYS 7 HZ2 LYS 7 0.696 4.838 -10.764 54 HZ3 LYS 7 HZ3 LYS 7 -0.125 6.183 -10.215 55 H CYS 8 H CYS 8 -0.469 2.129 -4.379 56 HA CYS 8 HA CYS 8 -3.342 1.618 -4.001 57 HB2 CYS 8 HB2 CYS 8 -2.936 1.714 -1.563 58 HB3 CYS 8 HB1 CYS 8 -2.422 0.234 -2.364 59 H SER 9 H SER 9 -4.227 3.134 -2.266 60 HA SER 9 HA SER 9 -3.216 5.744 -2.763 61 HB2 SER 9 HB2 SER 9 -5.471 6.188 -1.661 62 HB3 SER 9 HB1 SER 9 -5.365 5.717 -3.381 63 HG SER 9 HG SER 9 -5.699 3.638 -1.452 64 HA HYP 10 HA HYP 10 -1.063 5.569 1.050 65 HB2 HYP 10 HB1 HYP 10 0.125 7.468 0.845 66 HB3 HYP 10 HB2 HYP 10 -1.262 8.447 1.329 67 HG HYP 10 HG HYP 10 -1.005 9.055 -0.982 68 HD22 HYP 10 HD11 HYP 10 -2.721 7.458 -2.099 69 HD23 HYP 10 HD12 HYP 10 -3.244 8.194 -0.560 70 HD1 HYP 10 HD2 HYP 10 -0.967 6.630 -1.998 71 H SER 11 H SER 11 -4.009 7.649 1.210 72 HA SER 11 HA SER 11 -3.928 7.266 4.094 73 HB2 SER 11 HB2 SER 11 -5.623 9.156 2.451 74 HB3 SER 11 HB1 SER 11 -5.528 9.107 4.209 75 HG SER 11 HG SER 11 -3.617 10.016 4.169 76 H MET 12 H MET 12 -5.260 5.710 1.504 77 HA MET 12 HA MET 12 -7.730 5.105 2.850 78 HB2 MET 12 HB2 MET 12 -6.573 4.213 0.232 79 HB3 MET 12 HB1 MET 12 -8.076 3.572 0.885 80 HG2 MET 12 HG2 MET 12 -7.551 6.470 0.383 81 HG3 MET 12 HG1 MET 12 -8.333 5.396 -0.768 82 HE1 MET 12 HE1 MET 12 -9.648 8.119 0.303 83 HE2 MET 12 HE2 MET 12 -11.309 7.597 0.585 84 HE3 MET 12 3HE MET 12 -10.442 7.040 -0.844 85 H ARG 13 H ARG 13 -4.676 3.763 2.324 86 HA ARG 13 HA ARG 13 -3.606 1.817 2.956 87 HB2 ARG 13 HB2 ARG 13 -3.975 2.942 5.066 88 HB3 ARG 13 HB1 ARG 13 -5.569 2.230 5.185 89 HG2 ARG 13 HG2 ARG 13 -4.513 0.011 5.482 90 HG3 ARG 13 HG1 ARG 13 -2.923 0.747 5.294 91 HD2 ARG 13 HD2 ARG 13 -4.903 1.342 7.490 92 HD3 ARG 13 HD1 ARG 13 -3.446 0.357 7.646 93 HE ARG 13 HE ARG 13 -3.042 3.046 6.694 94 HH11 ARG 13 HH11 ARG 13 -3.225 0.993 9.577 95 HH12 ARG 13 HH12 ARG 13 -2.251 2.020 10.520 96 HH21 ARG 13 HH21 ARG 13 -1.726 4.457 8.009 97 HH22 ARG 13 HH22 ARG 13 -1.389 4.018 9.626 98 H ASP 14 H ASP 14 -5.443 1.440 1.058 99 HA ASP 14 HA ASP 14 -7.387 -0.553 1.689 100 HB2 ASP 14 HB2 ASP 14 -7.917 -0.351 -0.736 101 HB3 ASP 14 HB1 ASP 14 -8.011 1.154 0.157 102 H CYS 15 H CYS 15 -4.368 -1.006 1.661 103 HA CYS 15 HA CYS 15 -4.197 -3.306 -0.123 104 HB2 CYS 15 HB2 CYS 15 -2.182 -2.259 1.862 105 HB3 CYS 15 HB1 CYS 15 -1.913 -3.525 0.697 106 H CYS 16 H CYS 16 -3.614 -5.391 0.753 107 HA CYS 16 HA CYS 16 -5.243 -6.130 2.916 108 HB2 CYS 16 HB2 CYS 16 -3.003 -7.590 1.558 109 HB3 CYS 16 HB1 CYS 16 -4.145 -8.319 2.675 110 H THR 17 H THR 17 -1.939 -5.197 2.712 111 HA THR 17 HA THR 17 -1.612 -5.767 5.552 112 HB THR 17 HB THR 17 0.796 -5.081 5.067 113 HG1 THR 17 HG1 THR 17 1.416 -5.113 2.869 114 HG21 THR 17 HG21 THR 17 -0.335 -7.497 3.620 115 HG22 THR 17 HG22 THR 17 0.124 -7.443 5.321 116 HG23 THR 17 HG23 THR 17 1.358 -7.281 4.070 117 H THR 18 H THR 18 -0.183 -3.306 3.596 118 HA THR 18 HA THR 18 -1.351 -1.068 5.053 119 HB THR 18 HB THR 18 1.613 -1.754 5.072 120 HG1 THR 18 HG1 THR 18 -0.400 -2.062 6.992 121 HG21 THR 18 HG21 THR 18 1.925 0.120 6.535 122 HG22 THR 18 HG22 THR 18 0.198 0.483 6.517 123 HG23 THR 18 HG23 THR 18 1.168 0.675 5.043 124 H CYS 19 H CYS 19 -0.741 0.948 3.828 125 HA CYS 19 HA CYS 19 0.310 0.394 1.134 126 HB2 CYS 19 HB2 CYS 19 -1.950 1.219 1.108 127 HB3 CYS 19 HB1 CYS 19 -1.534 2.579 2.158 128 H ILE 20 H ILE 20 2.293 1.061 0.900 129 HA ILE 20 HA ILE 20 3.653 2.643 2.835 130 HB ILE 20 HB ILE 20 4.552 1.965 0.009 131 HG12 ILE 20 HG12 ILE 20 4.861 0.395 2.582 132 HG13 ILE 20 HG11 ILE 20 3.926 -0.061 1.183 133 HG21 ILE 20 HG21 ILE 20 6.126 2.661 2.495 134 HG22 ILE 20 HG22 ILE 20 5.874 3.719 1.108 135 HG23 ILE 20 HG23 ILE 20 6.816 2.235 0.927 136 HD11 ILE 20 HD11 ILE 20 6.924 0.220 1.209 137 HD12 ILE 20 HD12 ILE 20 5.938 -0.293 -0.162 138 HD13 ILE 20 HD13 ILE 20 6.032 -1.299 1.283 139 H SER 21 H SER 21 3.338 4.760 3.023 140 HA SER 21 HA SER 21 1.876 6.255 1.145 141 HB2 SER 21 HB2 SER 21 3.497 7.217 3.496 142 HB3 SER 21 HB1 SER 21 2.211 8.108 2.679 143 HG SER 21 HG SER 21 1.352 5.649 3.366 144 H TYR 22 H TYR 22 5.209 5.650 1.382 145 HA TYR 22 HA TYR 22 6.092 7.975 -0.110 146 HB2 TYR 22 HB2 TYR 22 7.436 6.828 1.643 147 HB3 TYR 22 HB1 TYR 22 7.509 5.434 0.613 148 HD1 TYR 22 HD1 TYR 22 8.230 9.098 0.161 149 HD2 TYR 22 HD2 TYR 22 9.502 5.080 -0.438 150 HE1 TYR 22 HE1 TYR 22 10.286 9.905 -0.903 151 HE2 TYR 22 HE2 TYR 22 11.542 5.873 -1.501 152 HH TYR 22 HH TYR 22 12.377 7.871 -2.663 153 H THR 23 H THR 23 5.992 4.533 -0.623 154 HA THR 23 HA THR 23 6.814 4.770 -3.384 155 HB THR 23 HB THR 23 6.056 2.217 -1.973 156 HG1 THR 23 HG1 THR 23 8.562 3.592 -1.925 157 HG21 THR 23 HG21 THR 23 7.782 1.256 -3.425 158 HG22 THR 23 HG22 THR 23 8.162 2.851 -4.067 159 HG23 THR 23 HG23 THR 23 6.599 2.113 -4.411 160 H LYS 24 H LYS 24 3.844 4.672 -1.735 161 HA LYS 24 HA LYS 24 1.725 4.374 -2.209 162 HB2 LYS 24 HB2 LYS 24 2.401 4.644 -5.149 163 HB3 LYS 24 HB1 LYS 24 0.853 4.716 -4.413 164 HG2 LYS 24 HG2 LYS 24 1.441 6.975 -4.984 165 HG3 LYS 24 HG1 LYS 24 1.397 6.811 -3.238 166 HD2 LYS 24 HD2 LYS 24 3.275 8.192 -3.923 167 HD3 LYS 24 HD1 LYS 24 3.861 6.689 -3.211 168 HE2 LYS 24 HE2 LYS 24 4.205 5.789 -5.493 169 HE3 LYS 24 HE1 LYS 24 3.677 7.338 -6.156 170 HZ1 LYS 24 HZ1 LYS 24 5.577 8.404 -5.255 171 HZ2 LYS 24 HZ2 LYS 24 6.154 6.975 -5.965 172 HZ3 LYS 24 HZ3 LYS 24 5.958 7.077 -4.298 173 H ARG 25 H ARG 25 3.266 2.091 -1.910 174 HA ARG 25 HA ARG 25 1.820 0.261 -3.658 175 HB2 ARG 25 HB2 ARG 25 4.676 -0.087 -2.794 176 HB3 ARG 25 HB1 ARG 25 3.736 -1.298 -3.629 177 HG2 ARG 25 HG2 ARG 25 4.622 1.368 -4.731 178 HG3 ARG 25 HG1 ARG 25 5.220 -0.230 -5.201 179 HD2 ARG 25 HD2 ARG 25 2.766 -0.722 -5.849 180 HD3 ARG 25 HD1 ARG 25 2.551 0.999 -5.644 181 HE ARG 25 HE ARG 25 4.224 1.366 -7.349 182 HH11 ARG 25 HH11 ARG 25 2.701 -1.837 -7.257 183 HH12 ARG 25 HH12 ARG 25 2.763 -2.086 -8.928 184 HH21 ARG 25 HH21 ARG 25 4.365 0.985 -9.681 185 HH22 ARG 25 HH22 ARG 25 3.773 -0.457 -10.343 186 H CYS 26 H CYS 26 1.672 -1.880 -2.755 187 HA CYS 26 HA CYS 26 0.828 -1.629 -0.034 188 HB2 CYS 26 HB2 CYS 26 0.673 -3.955 -1.939 189 HB3 CYS 26 HB1 CYS 26 -0.055 -3.918 -0.334 190 H ARG 27 H ARG 27 1.755 -2.287 1.627 191 HA ARG 27 HA ARG 27 4.481 -2.754 1.811 192 HB2 ARG 27 HB2 ARG 27 2.962 -1.768 3.533 193 HB3 ARG 27 HB1 ARG 27 2.343 -3.367 3.824 194 HG2 ARG 27 HG2 ARG 27 4.529 -4.159 4.493 195 HG3 ARG 27 HG1 ARG 27 5.202 -2.548 4.255 196 HD2 ARG 27 HD2 ARG 27 3.940 -1.700 6.076 197 HD3 ARG 27 HD1 ARG 27 2.975 -3.182 6.173 198 HE ARG 27 HE ARG 27 5.449 -4.096 6.457 199 HH11 ARG 27 HH11 ARG 27 3.831 -1.432 8.189 200 HH12 ARG 27 HH12 ARG 27 4.633 -1.752 9.642 201 HH21 ARG 27 HH21 ARG 27 6.450 -4.556 8.445 202 HH22 ARG 27 HH22 ARG 27 6.171 -3.580 9.817 203 H LYS 28 H LYS 28 5.595 -4.553 2.661 204 HA LYS 28 HA LYS 28 5.005 -7.192 1.754 205 HB2 LYS 28 HB2 LYS 28 6.855 -6.298 3.959 206 HB3 LYS 28 HB1 LYS 28 6.962 -7.744 2.993 207 HG2 LYS 28 HG2 LYS 28 7.267 -5.001 1.795 208 HG3 LYS 28 HG1 LYS 28 8.627 -5.921 2.420 209 HD2 LYS 28 HD2 LYS 28 6.754 -6.873 0.252 210 HD3 LYS 28 HD1 LYS 28 8.324 -6.125 -0.035 211 HE2 LYS 28 HE2 LYS 28 7.813 -8.733 1.421 212 HE3 LYS 28 HE1 LYS 28 8.522 -8.526 -0.173 213 HZ1 LYS 28 HZ1 LYS 28 10.388 -7.377 0.827 214 HZ2 LYS 28 HZ2 LYS 28 10.221 -8.909 1.475 215 HZ3 LYS 28 HZ3 LYS 28 9.739 -7.578 2.370 216 H TYR 29 H TYR 29 5.238 -8.861 3.566 217 HA TYR 29 HA TYR 29 2.845 -8.641 5.150 218 HB2 TYR 29 HB2 TYR 29 4.894 -10.793 4.805 219 HB3 TYR 29 HB1 TYR 29 3.570 -10.942 5.937 220 HD1 TYR 29 HD1 TYR 29 1.210 -10.970 5.010 221 HD2 TYR 29 HD2 TYR 29 4.612 -11.112 2.463 222 HE1 TYR 29 HE1 TYR 29 -0.207 -11.762 3.183 223 HE2 TYR 29 HE2 TYR 29 3.208 -11.902 0.620 224 HH TYR 29 HH TYR 29 1.071 -13.041 0.306 225 H TYR 30 H TYR 30 6.208 -9.167 5.798 226 HA TYR 30 HA TYR 30 5.787 -8.158 8.466 227 HB2 TYR 30 HB2 TYR 30 7.983 -9.944 7.428 228 HB3 TYR 30 HB1 TYR 30 7.947 -9.273 9.056 229 HD1 TYR 30 HD1 TYR 30 6.007 -9.855 10.553 230 HD2 TYR 30 HD2 TYR 30 6.769 -11.906 6.914 231 HE1 TYR 30 HE1 TYR 30 4.608 -11.699 11.316 232 HE2 TYR 30 HE2 TYR 30 5.374 -13.771 7.664 233 HH TYR 30 HH TYR 30 4.639 -14.708 9.844 Start of MODEL 2 1 H1 CYS 1 HT1 CYS 1 -9.537 -6.080 0.504 2 H2 CYS 1 HT2 CYS 1 -8.652 -7.302 -0.254 3 H3 CYS 1 HT3 CYS 1 -9.301 -6.040 -1.168 4 HA CYS 1 HA CYS 1 -7.879 -4.476 -0.090 5 HB2 CYS 1 HB2 CYS 1 -6.033 -5.369 1.296 6 HB3 CYS 1 HB1 CYS 1 -7.607 -5.489 2.050 7 H LYS 2 H LYS 2 -5.712 -4.150 -0.749 8 HA LYS 2 HA LYS 2 -5.070 -5.649 -3.153 9 HB2 LYS 2 HB2 LYS 2 -3.905 -3.089 -2.036 10 HB3 LYS 2 HB1 LYS 2 -3.355 -3.866 -3.504 11 HG2 LYS 2 HG2 LYS 2 -6.162 -2.905 -3.058 12 HG3 LYS 2 HG1 LYS 2 -4.898 -1.997 -3.896 13 HD2 LYS 2 HD2 LYS 2 -4.670 -3.871 -5.492 14 HD3 LYS 2 HD1 LYS 2 -6.006 -4.690 -4.692 15 HE2 LYS 2 HE2 LYS 2 -7.516 -2.902 -5.288 16 HE3 LYS 2 HE1 LYS 2 -6.194 -1.981 -5.999 17 HZ1 LYS 2 HZ1 LYS 2 -7.177 -4.607 -6.957 18 HZ2 LYS 2 HZ2 LYS 2 -5.894 -3.739 -7.616 19 HZ3 LYS 2 HZ3 LYS 2 -7.452 -3.109 -7.687 20 HA PRO 3 HA PRO 3 -1.864 -8.031 -1.263 21 HB2 PRO 3 HB2 PRO 3 -0.653 -8.951 -3.481 22 HB3 PRO 3 HB1 PRO 3 -2.293 -9.459 -3.063 23 HG2 PRO 3 HG2 PRO 3 -1.406 -7.355 -5.001 24 HG3 PRO 3 HG1 PRO 3 -2.620 -8.630 -5.223 25 HD2 PRO 3 HD2 PRO 3 -3.282 -6.074 -4.588 26 HD3 PRO 3 HD1 PRO 3 -4.232 -7.474 -4.055 27 HA HYP 4 HA HYP 4 1.894 -5.642 -0.851 28 HB2 HYP 4 HB1 HYP 4 3.543 -7.030 -0.097 29 HB3 HYP 4 HB2 HYP 4 3.486 -8.034 -1.550 30 HG HYP 4 HG HYP 4 2.486 -9.432 0.093 31 HD22 HYP 4 HD11 HYP 4 -0.085 -8.873 -0.403 32 HD23 HYP 4 HD12 HYP 4 0.964 -9.332 -1.766 33 HD1 HYP 4 HD2 HYP 4 1.804 -7.051 1.169 34 H GLY 5 H GLY 5 3.063 -4.380 -2.159 35 HA2 GLY 5 HA2 GLY 5 4.348 -3.785 -3.990 36 HA3 GLY 5 HA1 GLY 5 4.039 -5.367 -4.667 37 H SER 6 H SER 6 1.049 -4.569 -4.054 38 HA SER 6 HA SER 6 0.537 -3.528 -6.647 39 HB2 SER 6 HB2 SER 6 -1.176 -4.803 -5.839 40 HB3 SER 6 HB1 SER 6 -1.287 -3.943 -4.258 41 HG SER 6 HG SER 6 -2.282 -2.281 -5.438 42 H LYS 7 H LYS 7 -0.800 -1.772 -6.750 43 HA LYS 7 HA LYS 7 0.638 0.546 -5.591 44 HB2 LYS 7 HB2 LYS 7 0.248 0.534 -8.079 45 HB3 LYS 7 HB1 LYS 7 -1.481 0.523 -7.781 46 HG2 LYS 7 HG2 LYS 7 -1.228 2.734 -6.653 47 HG3 LYS 7 HG1 LYS 7 0.458 2.744 -7.166 48 HD2 LYS 7 HD2 LYS 7 -0.268 2.569 -9.513 49 HD3 LYS 7 HD1 LYS 7 -1.949 2.585 -8.983 50 HE2 LYS 7 HE2 LYS 7 -1.376 4.796 -9.717 51 HE3 LYS 7 HE1 LYS 7 -1.539 4.818 -7.964 52 HZ1 LYS 7 HZ1 LYS 7 0.393 6.052 -8.666 53 HZ2 LYS 7 HZ2 LYS 7 0.988 4.716 -9.490 54 HZ3 LYS 7 HZ3 LYS 7 0.911 4.682 -7.818 55 H CYS 8 H CYS 8 -0.514 2.053 -4.327 56 HA CYS 8 HA CYS 8 -3.297 1.305 -3.746 57 HB2 CYS 8 HB2 CYS 8 -2.784 1.826 -1.351 58 HB3 CYS 8 HB1 CYS 8 -2.199 0.291 -1.978 59 H SER 9 H SER 9 -4.360 2.905 -2.283 60 HA SER 9 HA SER 9 -3.696 5.539 -3.148 61 HB2 SER 9 HB2 SER 9 -6.025 5.881 -2.239 62 HB3 SER 9 HB1 SER 9 -5.870 5.021 -3.792 63 HG SER 9 HG SER 9 -5.866 3.225 -1.759 64 HA HYP 10 HA HYP 10 -1.473 6.323 0.535 65 HB2 HYP 10 HB1 HYP 10 -1.010 8.420 -0.168 66 HB3 HYP 10 HB2 HYP 10 -2.315 8.936 0.905 67 HG HYP 10 HG HYP 10 -3.432 9.614 -0.985 68 HD22 HYP 10 HD11 HYP 10 -4.010 7.386 -2.463 69 HD23 HYP 10 HD12 HYP 10 -4.747 7.645 -0.871 70 HD1 HYP 10 HD2 HYP 10 -2.650 8.474 -3.024 71 H SER 11 H SER 11 -4.412 8.297 1.104 72 HA SER 11 HA SER 11 -4.359 7.757 3.849 73 HB2 SER 11 HB2 SER 11 -6.512 9.075 2.223 74 HB3 SER 11 HB1 SER 11 -6.095 9.370 3.916 75 HG SER 11 HG SER 11 -5.203 10.963 2.613 76 H MET 12 H MET 12 -5.683 5.955 1.282 77 HA MET 12 HA MET 12 -8.006 5.036 2.722 78 HB2 MET 12 HB2 MET 12 -6.799 4.170 0.111 79 HB3 MET 12 HB1 MET 12 -8.263 3.481 0.783 80 HG2 MET 12 HG2 MET 12 -7.887 6.374 0.073 81 HG3 MET 12 HG1 MET 12 -8.654 5.180 -0.963 82 HE1 MET 12 HE1 MET 12 -11.832 4.230 1.192 83 HE2 MET 12 HE2 MET 12 -10.265 3.439 1.258 84 HE3 MET 12 3HE MET 12 -10.942 3.922 -0.299 85 H ARG 13 H ARG 13 -4.841 4.024 2.079 86 HA ARG 13 HA ARG 13 -3.577 2.154 2.536 87 HB2 ARG 13 HB2 ARG 13 -3.944 3.166 4.733 88 HB3 ARG 13 HB1 ARG 13 -5.411 2.221 4.909 89 HG2 ARG 13 HG2 ARG 13 -3.963 0.152 4.866 90 HG3 ARG 13 HG1 ARG 13 -2.550 1.205 4.796 91 HD2 ARG 13 HD2 ARG 13 -2.797 0.489 7.059 92 HD3 ARG 13 HD1 ARG 13 -3.277 2.179 6.985 93 HE ARG 13 HE ARG 13 -5.606 0.783 6.677 94 HH11 ARG 13 HH11 ARG 13 -3.042 0.713 9.145 95 HH12 ARG 13 HH12 ARG 13 -4.100 0.389 10.431 96 HH21 ARG 13 HH21 ARG 13 -7.050 0.291 8.477 97 HH22 ARG 13 HH22 ARG 13 -6.433 0.099 10.036 98 H ASP 14 H ASP 14 -5.278 1.534 0.679 99 HA ASP 14 HA ASP 14 -7.273 -0.394 1.362 100 HB2 ASP 14 HB2 ASP 14 -7.696 -0.456 -1.062 101 HB3 ASP 14 HB1 ASP 14 -7.730 1.169 -0.395 102 H CYS 15 H CYS 15 -4.282 -0.896 1.548 103 HA CYS 15 HA CYS 15 -3.989 -3.351 0.015 104 HB2 CYS 15 HB2 CYS 15 -2.175 -2.146 2.088 105 HB3 CYS 15 HB1 CYS 15 -1.776 -3.427 0.970 106 H CYS 16 H CYS 16 -3.372 -5.328 1.184 107 HA CYS 16 HA CYS 16 -5.166 -5.907 3.274 108 HB2 CYS 16 HB2 CYS 16 -2.737 -7.441 2.351 109 HB3 CYS 16 HB1 CYS 16 -4.007 -8.073 3.386 110 H THR 17 H THR 17 -1.827 -4.990 3.167 111 HA THR 17 HA THR 17 -1.498 -5.305 6.032 112 HB THR 17 HB THR 17 0.876 -4.572 5.394 113 HG1 THR 17 HG1 THR 17 1.239 -4.942 3.035 114 HG21 THR 17 HG21 THR 17 0.261 -6.939 5.796 115 HG22 THR 17 HG22 THR 17 1.433 -6.801 4.484 116 HG23 THR 17 HG23 THR 17 -0.272 -7.078 4.120 117 H THR 18 H THR 18 -0.189 -2.889 3.900 118 HA THR 18 HA THR 18 -1.833 -0.771 4.694 119 HB THR 18 HB THR 18 -0.360 -0.967 6.746 120 HG1 THR 18 HG1 THR 18 0.195 1.298 6.726 121 HG21 THR 18 HG21 THR 18 1.831 -0.118 4.835 122 HG22 THR 18 HG22 THR 18 1.710 -1.693 5.613 123 HG23 THR 18 HG23 THR 18 1.990 -0.248 6.590 124 H CYS 19 H CYS 19 -0.711 1.288 3.835 125 HA CYS 19 HA CYS 19 0.326 0.649 1.143 126 HB2 CYS 19 HB2 CYS 19 -1.877 1.624 1.142 127 HB3 CYS 19 HB1 CYS 19 -1.364 2.955 2.181 128 H ILE 20 H ILE 20 2.346 1.110 1.000 129 HA ILE 20 HA ILE 20 3.906 2.603 2.825 130 HB ILE 20 HB ILE 20 4.510 1.902 -0.080 131 HG12 ILE 20 HG12 ILE 20 5.017 0.284 2.435 132 HG13 ILE 20 HG11 ILE 20 3.877 -0.087 1.172 133 HG21 ILE 20 HG21 ILE 20 6.863 2.016 0.568 134 HG22 ILE 20 HG22 ILE 20 6.400 2.472 2.202 135 HG23 ILE 20 HG23 ILE 20 6.053 3.560 0.851 136 HD11 ILE 20 HD11 ILE 20 6.860 -0.014 0.798 137 HD12 ILE 20 HD12 ILE 20 5.668 -0.424 -0.433 138 HD13 ILE 20 HD13 ILE 20 5.877 -1.466 0.975 139 H SER 21 H SER 21 3.451 4.725 3.060 140 HA SER 21 HA SER 21 2.059 6.270 1.161 141 HB2 SER 21 HB2 SER 21 3.605 7.187 3.572 142 HB3 SER 21 HB1 SER 21 2.330 8.085 2.742 143 HG SER 21 HG SER 21 1.448 5.618 3.353 144 H TYR 22 H TYR 22 5.393 5.637 1.510 145 HA TYR 22 HA TYR 22 6.374 8.008 0.247 146 HB2 TYR 22 HB2 TYR 22 7.705 6.487 1.746 147 HB3 TYR 22 HB1 TYR 22 7.671 5.301 0.474 148 HD1 TYR 22 HD1 TYR 22 9.095 5.439 -1.452 149 HD2 TYR 22 HD2 TYR 22 9.032 8.609 1.387 150 HE1 TYR 22 HE1 TYR 22 11.100 6.397 -2.483 151 HE2 TYR 22 HE2 TYR 22 11.036 9.575 0.356 152 HH TYR 22 HH TYR 22 12.957 8.750 -1.008 153 H THR 23 H THR 23 6.073 4.671 -0.778 154 HA THR 23 HA THR 23 6.654 5.366 -3.552 155 HB THR 23 HB THR 23 6.191 2.604 -2.458 156 HG1 THR 23 HG1 THR 23 8.793 3.488 -2.475 157 HG21 THR 23 HG21 THR 23 6.524 2.860 -4.893 158 HG22 THR 23 HG22 THR 23 7.883 2.018 -4.151 159 HG23 THR 23 HG23 THR 23 8.035 3.718 -4.591 160 H LYS 24 H LYS 24 3.872 4.619 -1.633 161 HA LYS 24 HA LYS 24 1.738 4.265 -1.952 162 HB2 LYS 24 HB2 LYS 24 2.058 4.873 -4.885 163 HB3 LYS 24 HB1 LYS 24 0.606 4.882 -3.930 164 HG2 LYS 24 HG2 LYS 24 2.870 6.818 -3.527 165 HG3 LYS 24 HG1 LYS 24 1.358 7.175 -4.357 166 HD2 LYS 24 HD2 LYS 24 0.121 6.673 -2.283 167 HD3 LYS 24 HD1 LYS 24 1.649 6.342 -1.467 168 HE2 LYS 24 HE2 LYS 24 0.952 8.568 -0.917 169 HE3 LYS 24 HE1 LYS 24 2.364 8.646 -1.963 170 HZ1 LYS 24 HZ1 LYS 24 0.720 10.253 -2.630 171 HZ2 LYS 24 HZ2 LYS 24 -0.450 9.049 -2.797 172 HZ3 LYS 24 HZ3 LYS 24 0.853 9.090 -3.849 173 H ARG 25 H ARG 25 3.282 2.142 -1.844 174 HA ARG 25 HA ARG 25 1.850 0.296 -3.593 175 HB2 ARG 25 HB2 ARG 25 4.680 0.022 -2.648 176 HB3 ARG 25 HB1 ARG 25 3.804 -1.226 -3.511 177 HG2 ARG 25 HG2 ARG 25 4.668 1.465 -4.548 178 HG3 ARG 25 HG1 ARG 25 5.290 -0.114 -5.025 179 HD2 ARG 25 HD2 ARG 25 2.888 -0.642 -5.778 180 HD3 ARG 25 HD1 ARG 25 2.593 1.051 -5.492 181 HE ARG 25 HE ARG 25 4.326 1.576 -7.078 182 HH11 ARG 25 HH11 ARG 25 2.965 -1.703 -7.294 183 HH12 ARG 25 HH12 ARG 25 3.112 -1.748 -8.997 184 HH21 ARG 25 HH21 ARG 25 4.553 1.416 -9.371 185 HH22 ARG 25 HH22 ARG 25 4.037 0.010 -10.190 186 H CYS 26 H CYS 26 1.769 -1.876 -2.608 187 HA CYS 26 HA CYS 26 0.937 -1.538 0.125 188 HB2 CYS 26 HB2 CYS 26 0.724 -3.879 -1.749 189 HB3 CYS 26 HB1 CYS 26 0.029 -3.818 -0.132 190 H ARG 27 H ARG 27 1.861 -2.328 1.828 191 HA ARG 27 HA ARG 27 4.595 -3.122 1.782 192 HB2 ARG 27 HB2 ARG 27 3.239 -1.878 3.612 193 HB3 ARG 27 HB1 ARG 27 2.667 -3.458 4.057 194 HG2 ARG 27 HG2 ARG 27 4.914 -4.227 4.514 195 HG3 ARG 27 HG1 ARG 27 5.557 -2.648 4.048 196 HD2 ARG 27 HD2 ARG 27 4.271 -1.618 5.865 197 HD3 ARG 27 HD1 ARG 27 3.674 -3.213 6.323 198 HE ARG 27 HE ARG 27 6.533 -2.923 6.226 199 HH11 ARG 27 HH11 ARG 27 3.638 -2.870 8.274 200 HH12 ARG 27 HH12 ARG 27 4.488 -3.026 9.736 201 HH21 ARG 27 HH21 ARG 27 7.711 -3.124 8.246 202 HH22 ARG 27 HH22 ARG 27 6.864 -3.169 9.713 203 H LYS 28 H LYS 28 5.359 -5.206 2.714 204 HA LYS 28 HA LYS 28 3.766 -7.455 1.794 205 HB2 LYS 28 HB2 LYS 28 6.397 -7.490 3.235 206 HB3 LYS 28 HB1 LYS 28 5.659 -8.787 2.366 207 HG2 LYS 28 HG2 LYS 28 5.907 -7.607 0.248 208 HG3 LYS 28 HG1 LYS 28 6.678 -6.266 1.088 209 HD2 LYS 28 HD2 LYS 28 7.769 -9.061 1.288 210 HD3 LYS 28 HD1 LYS 28 8.157 -8.021 -0.074 211 HE2 LYS 28 HE2 LYS 28 9.907 -7.952 1.637 212 HE3 LYS 28 HE1 LYS 28 9.153 -6.378 1.437 213 HZ1 LYS 28 HZ1 LYS 28 7.963 -6.716 3.484 214 HZ2 LYS 28 HZ2 LYS 28 9.583 -7.014 3.765 215 HZ3 LYS 28 HZ3 LYS 28 8.522 -8.293 3.642 216 H TYR 29 H TYR 29 3.903 -9.331 3.299 217 HA TYR 29 HA TYR 29 2.522 -8.657 5.728 218 HB2 TYR 29 HB2 TYR 29 3.408 -11.228 4.459 219 HB3 TYR 29 HB1 TYR 29 2.802 -11.214 6.104 220 HD1 TYR 29 HD1 TYR 29 0.493 -11.148 6.514 221 HD2 TYR 29 HD2 TYR 29 1.885 -10.395 2.569 222 HE1 TYR 29 HE1 TYR 29 -1.800 -11.245 5.706 223 HE2 TYR 29 HE2 TYR 29 -0.419 -10.486 1.736 224 HH TYR 29 HH TYR 29 -3.140 -10.556 3.900 225 H TYR 30 H TYR 30 5.530 -10.254 4.930 226 HA TYR 30 HA TYR 30 6.632 -9.176 7.351 227 HB2 TYR 30 HB2 TYR 30 7.287 -11.833 6.040 228 HB3 TYR 30 HB1 TYR 30 8.150 -11.144 7.411 229 HD1 TYR 30 HD1 TYR 30 6.738 -10.582 9.494 230 HD2 TYR 30 HD2 TYR 30 5.439 -13.228 6.433 231 HE1 TYR 30 HE1 TYR 30 5.110 -11.544 11.034 232 HE2 TYR 30 HE2 TYR 30 3.799 -14.209 7.978 233 HH TYR 30 HH TYR 30 3.481 -14.415 10.467 Start of MODEL 3 1 H1 CYS 1 HT1 CYS 1 -8.792 -6.970 -1.125 2 H2 CYS 1 HT2 CYS 1 -9.332 -5.675 -2.079 3 H3 CYS 1 HT3 CYS 1 -9.756 -5.742 -0.458 4 HA CYS 1 HA CYS 1 -8.056 -4.147 -0.902 5 HB2 CYS 1 HB2 CYS 1 -6.376 -5.028 0.739 6 HB3 CYS 1 HB1 CYS 1 -8.037 -5.010 1.300 7 H LYS 2 H LYS 2 -5.857 -3.771 -1.289 8 HA LYS 2 HA LYS 2 -4.940 -5.099 -3.671 9 HB2 LYS 2 HB2 LYS 2 -3.570 -2.957 -2.029 10 HB3 LYS 2 HB1 LYS 2 -3.172 -3.452 -3.654 11 HG2 LYS 2 HG2 LYS 2 -5.757 -2.148 -2.871 12 HG3 LYS 2 HG1 LYS 2 -4.349 -1.313 -3.516 13 HD2 LYS 2 HD2 LYS 2 -4.492 -2.684 -5.555 14 HD3 LYS 2 HD1 LYS 2 -5.956 -3.444 -4.910 15 HE2 LYS 2 HE2 LYS 2 -6.438 -1.626 -6.505 16 HE3 LYS 2 HE1 LYS 2 -7.097 -1.323 -4.896 17 HZ1 LYS 2 HZ1 LYS 2 -4.518 -0.193 -5.850 18 HZ2 LYS 2 HZ2 LYS 2 -5.408 0.236 -4.447 19 HZ3 LYS 2 HZ3 LYS 2 -6.001 0.612 -5.964 20 HA PRO 3 HA PRO 3 -2.266 -7.857 -1.343 21 HB2 PRO 3 HB2 PRO 3 -0.888 -8.898 -3.440 22 HB3 PRO 3 HB1 PRO 3 -2.566 -9.352 -3.113 23 HG2 PRO 3 HG2 PRO 3 -1.491 -7.386 -5.102 24 HG3 PRO 3 HG1 PRO 3 -2.773 -8.592 -5.301 25 HD2 PRO 3 HD2 PRO 3 -3.257 -5.955 -4.832 26 HD3 PRO 3 HD1 PRO 3 -4.352 -7.255 -4.314 27 HA HYP 4 HA HYP 4 1.558 -5.694 -0.635 28 HB2 HYP 4 HB1 HYP 4 3.144 -7.169 0.191 29 HB3 HYP 4 HB2 HYP 4 2.916 -8.314 -1.137 30 HG HYP 4 HG HYP 4 1.727 -9.280 0.726 31 HD22 HYP 4 HD11 HYP 4 -0.725 -8.428 -0.004 32 HD23 HYP 4 HD12 HYP 4 0.255 -9.338 -1.170 33 HD1 HYP 4 HD2 HYP 4 1.676 -6.903 1.580 34 H GLY 5 H GLY 5 2.769 -4.446 -1.891 35 HA2 GLY 5 HA2 GLY 5 4.280 -3.949 -3.586 36 HA3 GLY 5 HA1 GLY 5 3.918 -5.493 -4.334 37 H SER 6 H SER 6 0.954 -4.648 -3.945 38 HA SER 6 HA SER 6 0.620 -3.543 -6.534 39 HB2 SER 6 HB2 SER 6 -1.159 -4.784 -5.863 40 HB3 SER 6 HB1 SER 6 -1.316 -3.973 -4.263 41 HG SER 6 HG SER 6 -2.197 -2.209 -5.479 42 H LYS 7 H LYS 7 -0.698 -1.790 -6.749 43 HA LYS 7 HA LYS 7 0.662 0.541 -5.551 44 HB2 LYS 7 HB2 LYS 7 -1.409 0.553 -7.775 45 HB3 LYS 7 HB1 LYS 7 -0.484 1.944 -7.236 46 HG2 LYS 7 HG2 LYS 7 1.591 0.764 -7.976 47 HG3 LYS 7 HG1 LYS 7 0.563 -0.502 -8.652 48 HD2 LYS 7 HD2 LYS 7 0.488 2.420 -9.430 49 HD3 LYS 7 HD1 LYS 7 1.295 1.157 -10.345 50 HE2 LYS 7 HE2 LYS 7 -0.816 0.056 -10.774 51 HE3 LYS 7 HE1 LYS 7 -1.659 1.187 -9.723 52 HZ1 LYS 7 HZ1 LYS 7 -1.945 1.773 -12.033 53 HZ2 LYS 7 HZ2 LYS 7 -0.268 1.925 -12.247 54 HZ3 LYS 7 HZ3 LYS 7 -1.084 2.965 -11.210 55 H CYS 8 H CYS 8 -0.411 2.012 -4.265 56 HA CYS 8 HA CYS 8 -3.195 1.321 -3.642 57 HB2 CYS 8 HB2 CYS 8 -2.698 1.643 -1.275 58 HB3 CYS 8 HB1 CYS 8 -1.988 0.198 -1.970 59 H SER 9 H SER 9 -4.077 2.880 -1.929 60 HA SER 9 HA SER 9 -3.752 5.525 -2.947 61 HB2 SER 9 HB2 SER 9 -5.677 4.328 -1.046 62 HB3 SER 9 HB1 SER 9 -5.869 5.794 -1.979 63 HG SER 9 HG SER 9 -5.749 3.145 -2.996 64 HA HYP 10 HA HYP 10 -0.863 6.230 0.439 65 HB2 HYP 10 HB1 HYP 10 -0.129 7.775 -1.070 66 HB3 HYP 10 HB2 HYP 10 -0.871 8.915 0.060 67 HG HYP 10 HG HYP 10 -2.342 9.473 -1.712 68 HD22 HYP 10 HD11 HYP 10 -3.843 7.336 -2.250 69 HD23 HYP 10 HD12 HYP 10 -3.900 8.026 -0.603 70 HD1 HYP 10 HD2 HYP 10 -2.017 7.107 -2.953 71 H SER 11 H SER 11 -3.689 6.062 1.418 72 HA SER 11 HA SER 11 -3.538 7.552 3.828 73 HB2 SER 11 HB2 SER 11 -4.072 9.479 2.448 74 HB3 SER 11 HB1 SER 11 -5.397 8.601 1.695 75 HG SER 11 HG SER 11 -5.417 10.102 3.871 76 H MET 12 H MET 12 -5.760 6.164 1.461 77 HA MET 12 HA MET 12 -7.764 5.526 3.367 78 HB2 MET 12 HB2 MET 12 -7.445 4.497 0.551 79 HB3 MET 12 HB1 MET 12 -8.887 4.338 1.532 80 HG2 MET 12 HG2 MET 12 -7.674 6.904 0.523 81 HG3 MET 12 HG1 MET 12 -9.137 6.125 -0.075 82 HE1 MET 12 HE1 MET 12 -11.591 6.595 2.941 83 HE2 MET 12 HE2 MET 12 -10.549 5.195 2.666 84 HE3 MET 12 3HE MET 12 -11.392 5.957 1.306 85 H ARG 13 H ARG 13 -4.968 3.974 2.454 86 HA ARG 13 HA ARG 13 -4.075 1.908 2.641 87 HB2 ARG 13 HB2 ARG 13 -4.093 2.493 4.951 88 HB3 ARG 13 HB1 ARG 13 -5.788 2.043 5.089 89 HG2 ARG 13 HG2 ARG 13 -5.115 -0.332 4.713 90 HG3 ARG 13 HG1 ARG 13 -3.428 0.179 4.627 91 HD2 ARG 13 HD2 ARG 13 -5.240 0.533 7.009 92 HD3 ARG 13 HD1 ARG 13 -4.045 -0.748 6.828 93 HE ARG 13 HE ARG 13 -2.681 1.617 6.474 94 HH11 ARG 13 HH11 ARG 13 -4.656 0.264 9.104 95 HH12 ARG 13 HH12 ARG 13 -3.738 0.977 10.334 96 HH21 ARG 13 HH21 ARG 13 -1.423 2.600 8.199 97 HH22 ARG 13 HH22 ARG 13 -1.855 2.312 9.812 98 H ASP 14 H ASP 14 -5.225 1.361 0.703 99 HA ASP 14 HA ASP 14 -7.519 -0.340 1.029 100 HB2 ASP 14 HB2 ASP 14 -7.546 -0.268 -1.493 101 HB3 ASP 14 HB1 ASP 14 -7.749 1.285 -0.706 102 H CYS 15 H CYS 15 -4.398 -0.781 1.333 103 HA CYS 15 HA CYS 15 -4.116 -3.288 -0.101 104 HB2 CYS 15 HB2 CYS 15 -2.339 -2.242 2.098 105 HB3 CYS 15 HB1 CYS 15 -1.981 -3.460 0.912 106 H CYS 16 H CYS 16 -3.851 -5.288 0.912 107 HA CYS 16 HA CYS 16 -5.628 -5.870 2.992 108 HB2 CYS 16 HB2 CYS 16 -3.269 -7.463 1.990 109 HB3 CYS 16 HB1 CYS 16 -4.598 -8.096 2.947 110 H THR 17 H THR 17 -2.185 -5.194 2.955 111 HA THR 17 HA THR 17 -1.958 -5.696 5.804 112 HB THR 17 HB THR 17 0.477 -5.150 5.323 113 HG1 THR 17 HG1 THR 17 1.089 -5.147 3.099 114 HG21 THR 17 HG21 THR 17 0.913 -7.349 4.283 115 HG22 THR 17 HG22 THR 17 -0.780 -7.456 3.808 116 HG23 THR 17 HG23 THR 17 -0.340 -7.475 5.514 117 H THR 18 H THR 18 -0.382 -3.318 3.869 118 HA THR 18 HA THR 18 -1.496 -1.012 5.237 119 HB THR 18 HB THR 18 1.440 -1.784 5.407 120 HG1 THR 18 HG1 THR 18 -0.652 -2.337 7.023 121 HG21 THR 18 HG21 THR 18 1.113 0.646 5.285 122 HG22 THR 18 HG22 THR 18 1.733 0.136 6.850 123 HG23 THR 18 HG23 THR 18 0.027 0.577 6.683 124 H CYS 19 H CYS 19 -0.982 0.883 3.972 125 HA CYS 19 HA CYS 19 0.193 0.383 1.318 126 HB2 CYS 19 HB2 CYS 19 -2.067 1.319 1.248 127 HB3 CYS 19 HB1 CYS 19 -1.620 2.570 2.401 128 H ILE 20 H ILE 20 2.093 1.284 0.908 129 HA ILE 20 HA ILE 20 3.287 2.976 2.953 130 HB ILE 20 HB ILE 20 4.509 1.695 0.485 131 HG12 ILE 20 HG12 ILE 20 3.813 -0.035 2.064 132 HG13 ILE 20 HG11 ILE 20 5.568 0.088 2.055 133 HG21 ILE 20 HG21 ILE 20 5.740 3.675 1.174 134 HG22 ILE 20 HG22 ILE 20 6.683 2.219 1.495 135 HG23 ILE 20 HG23 ILE 20 5.865 3.044 2.817 136 HD11 ILE 20 HD11 ILE 20 5.436 1.396 4.132 137 HD12 ILE 20 HD12 ILE 20 4.750 -0.221 4.295 138 HD13 ILE 20 HD13 ILE 20 3.686 1.178 4.140 139 H SER 21 H SER 21 2.509 4.976 2.639 140 HA SER 21 HA SER 21 1.637 6.072 0.238 141 HB2 SER 21 HB2 SER 21 2.458 7.496 2.759 142 HB3 SER 21 HB1 SER 21 1.365 8.087 1.503 143 HG SER 21 HG SER 21 0.563 6.866 3.553 144 H TYR 22 H TYR 22 4.828 5.739 1.310 145 HA TYR 22 HA TYR 22 6.020 8.014 0.110 146 HB2 TYR 22 HB2 TYR 22 7.113 6.455 1.729 147 HB3 TYR 22 HB1 TYR 22 7.172 5.253 0.469 148 HD1 TYR 22 HD1 TYR 22 8.288 8.763 1.079 149 HD2 TYR 22 HD2 TYR 22 9.092 5.047 -0.833 150 HE1 TYR 22 HE1 TYR 22 10.451 9.624 0.326 151 HE2 TYR 22 HE2 TYR 22 11.255 5.899 -1.593 152 HH TYR 22 HH TYR 22 12.382 7.979 -1.990 153 H THR 23 H THR 23 5.746 4.717 -0.990 154 HA THR 23 HA THR 23 6.314 5.618 -3.727 155 HB THR 23 HB THR 23 7.855 3.928 -2.903 156 HG1 THR 23 HG1 THR 23 7.843 2.635 -4.601 157 HG21 THR 23 HG21 THR 23 5.439 2.156 -2.523 158 HG22 THR 23 HG22 THR 23 6.455 2.827 -1.249 159 HG23 THR 23 HG23 THR 23 7.119 1.636 -2.367 160 H LYS 24 H LYS 24 3.686 4.715 -1.830 161 HA LYS 24 HA LYS 24 1.626 4.148 -2.094 162 HB2 LYS 24 HB2 LYS 24 1.973 5.025 -4.961 163 HB3 LYS 24 HB1 LYS 24 0.512 4.413 -4.285 164 HG2 LYS 24 HG2 LYS 24 0.420 6.859 -4.346 165 HG3 LYS 24 HG1 LYS 24 0.288 6.220 -2.721 166 HD2 LYS 24 HD2 LYS 24 1.666 8.187 -2.681 167 HD3 LYS 24 HD1 LYS 24 2.689 6.789 -2.378 168 HE2 LYS 24 HE2 LYS 24 3.513 6.844 -4.628 169 HE3 LYS 24 HE1 LYS 24 2.382 8.132 -5.062 170 HZ1 LYS 24 HZ1 LYS 24 4.572 9.010 -4.665 171 HZ2 LYS 24 HZ2 LYS 24 4.643 8.377 -3.106 172 HZ3 LYS 24 HZ3 LYS 24 3.513 9.580 -3.503 173 H ARG 25 H ARG 25 3.149 2.158 -1.872 174 HA ARG 25 HA ARG 25 1.869 0.173 -3.565 175 HB2 ARG 25 HB2 ARG 25 4.727 0.031 -2.671 176 HB3 ARG 25 HB1 ARG 25 3.880 -1.248 -3.491 177 HG2 ARG 25 HG2 ARG 25 4.653 1.424 -4.665 178 HG3 ARG 25 HG1 ARG 25 5.354 -0.149 -5.049 179 HD2 ARG 25 HD2 ARG 25 2.921 -0.790 -5.768 180 HD3 ARG 25 HD1 ARG 25 2.654 0.919 -5.649 181 HE ARG 25 HE ARG 25 4.296 1.341 -7.314 182 HH11 ARG 25 HH11 ARG 25 3.292 -2.088 -7.131 183 HH12 ARG 25 HH12 ARG 25 3.486 -2.365 -8.791 184 HH21 ARG 25 HH21 ARG 25 4.571 0.907 -9.597 185 HH22 ARG 25 HH22 ARG 25 4.240 -0.650 -10.224 186 H CYS 26 H CYS 26 1.769 -1.861 -2.514 187 HA CYS 26 HA CYS 26 1.014 -1.469 0.225 188 HB2 CYS 26 HB2 CYS 26 0.780 -3.885 -1.546 189 HB3 CYS 26 HB1 CYS 26 0.063 -3.720 0.062 190 H ARG 27 H ARG 27 1.830 -2.280 1.947 191 HA ARG 27 HA ARG 27 4.572 -2.906 2.184 192 HB2 ARG 27 HB2 ARG 27 2.803 -1.900 3.831 193 HB3 ARG 27 HB1 ARG 27 2.508 -3.562 4.221 194 HG2 ARG 27 HG2 ARG 27 4.739 -3.934 4.940 195 HG3 ARG 27 HG1 ARG 27 5.235 -2.311 4.448 196 HD2 ARG 27 HD2 ARG 27 3.617 -1.408 6.059 197 HD3 ARG 27 HD1 ARG 27 3.266 -3.044 6.611 198 HE ARG 27 HE ARG 27 5.945 -1.835 6.758 199 HH11 ARG 27 HH11 ARG 27 3.446 -3.866 8.226 200 HH12 ARG 27 HH12 ARG 27 4.233 -3.961 9.726 201 HH21 ARG 27 HH21 ARG 27 7.010 -1.999 8.767 202 HH22 ARG 27 HH22 ARG 27 6.331 -2.900 10.048 203 H LYS 28 H LYS 28 5.494 -4.877 3.035 204 HA LYS 28 HA LYS 28 4.193 -7.292 2.004 205 HB2 LYS 28 HB2 LYS 28 6.889 -7.082 3.275 206 HB3 LYS 28 HB1 LYS 28 6.314 -8.266 2.122 207 HG2 LYS 28 HG2 LYS 28 6.249 -6.563 0.370 208 HG3 LYS 28 HG1 LYS 28 6.870 -5.380 1.509 209 HD2 LYS 28 HD2 LYS 28 8.901 -6.759 1.796 210 HD3 LYS 28 HD1 LYS 28 8.278 -7.875 0.571 211 HE2 LYS 28 HE2 LYS 28 8.922 -4.951 0.156 212 HE3 LYS 28 HE1 LYS 28 9.886 -6.315 -0.401 213 HZ1 LYS 28 HZ1 LYS 28 8.044 -6.996 -1.787 214 HZ2 LYS 28 HZ2 LYS 28 8.515 -5.425 -2.161 215 HZ3 LYS 28 HZ3 LYS 28 7.112 -5.692 -1.262 216 H TYR 29 H TYR 29 4.736 -9.210 3.430 217 HA TYR 29 HA TYR 29 3.305 -8.740 5.858 218 HB2 TYR 29 HB2 TYR 29 4.367 -11.226 4.571 219 HB3 TYR 29 HB1 TYR 29 3.660 -11.252 6.172 220 HD1 TYR 29 HD1 TYR 29 1.263 -10.577 6.436 221 HD2 TYR 29 HD2 TYR 29 3.021 -11.092 2.600 222 HE1 TYR 29 HE1 TYR 29 -0.962 -10.696 5.445 223 HE2 TYR 29 HE2 TYR 29 0.800 -11.215 1.591 224 HH TYR 29 HH TYR 29 -2.069 -10.430 3.371 225 H TYR 30 H TYR 30 6.478 -10.251 5.253 226 HA TYR 30 HA TYR 30 7.225 -9.273 7.863 227 HB2 TYR 30 HB2 TYR 30 8.042 -11.903 6.631 228 HB3 TYR 30 HB1 TYR 30 8.506 -11.304 8.217 229 HD1 TYR 30 HD1 TYR 30 6.118 -13.203 6.379 230 HD2 TYR 30 HD2 TYR 30 6.610 -10.893 9.908 231 HE1 TYR 30 HE1 TYR 30 4.119 -14.240 7.324 232 HE2 TYR 30 HE2 TYR 30 4.620 -11.930 10.873 233 HH TYR 30 HH TYR 30 2.576 -13.043 10.076 Start of MODEL 4 1 H1 CYS 1 HT1 CYS 1 -8.625 -7.308 -0.721 2 H2 CYS 1 HT2 CYS 1 -9.383 -6.095 -1.589 3 H3 CYS 1 HT3 CYS 1 -9.566 -6.180 0.079 4 HA CYS 1 HA CYS 1 -8.023 -4.422 -0.577 5 HB2 CYS 1 HB2 CYS 1 -6.150 -5.177 0.896 6 HB3 CYS 1 HB1 CYS 1 -7.744 -5.312 1.616 7 H LYS 2 H LYS 2 -5.769 -4.014 -1.117 8 HA LYS 2 HA LYS 2 -5.031 -5.431 -3.540 9 HB2 LYS 2 HB2 LYS 2 -3.591 -3.155 -2.161 10 HB3 LYS 2 HB1 LYS 2 -3.264 -3.777 -3.760 11 HG2 LYS 2 HG2 LYS 2 -5.732 -2.323 -2.877 12 HG3 LYS 2 HG1 LYS 2 -4.429 -1.682 -3.871 13 HD2 LYS 2 HD2 LYS 2 -4.977 -3.469 -5.550 14 HD3 LYS 2 HD1 LYS 2 -6.412 -3.835 -4.585 15 HE2 LYS 2 HE2 LYS 2 -5.733 -1.243 -5.959 16 HE3 LYS 2 HE1 LYS 2 -7.073 -2.327 -6.324 17 HZ1 LYS 2 HZ1 LYS 2 -7.858 -0.447 -5.080 18 HZ2 LYS 2 HZ2 LYS 2 -6.698 -0.675 -3.896 19 HZ3 LYS 2 HZ3 LYS 2 -7.949 -1.802 -4.060 20 HA PRO 3 HA PRO 3 -2.102 -8.035 -1.405 21 HB2 PRO 3 HB2 PRO 3 -0.743 -8.946 -3.569 22 HB3 PRO 3 HB1 PRO 3 -2.386 -9.486 -3.202 23 HG2 PRO 3 HG2 PRO 3 -1.477 -7.385 -5.133 24 HG3 PRO 3 HG1 PRO 3 -2.666 -8.681 -5.378 25 HD2 PRO 3 HD2 PRO 3 -3.389 -6.142 -4.815 26 HD3 PRO 3 HD1 PRO 3 -4.321 -7.543 -4.246 27 HA HYP 4 HA HYP 4 1.561 -5.599 -0.795 28 HB2 HYP 4 HB1 HYP 4 3.141 -6.921 0.203 29 HB3 HYP 4 HB2 HYP 4 3.143 -8.087 -1.132 30 HG HYP 4 HG HYP 4 1.952 -9.204 0.639 31 HD22 HYP 4 HD11 HYP 4 -0.493 -8.740 -0.293 32 HD23 HYP 4 HD12 HYP 4 0.726 -9.343 -1.441 33 HD1 HYP 4 HD2 HYP 4 1.477 -6.796 1.429 34 H GLY 5 H GLY 5 2.716 -4.384 -2.103 35 HA2 GLY 5 HA2 GLY 5 4.265 -4.007 -3.827 36 HA3 GLY 5 HA1 GLY 5 3.770 -5.520 -4.566 37 H SER 6 H SER 6 0.903 -4.645 -4.109 38 HA SER 6 HA SER 6 0.580 -3.392 -6.627 39 HB2 SER 6 HB2 SER 6 -1.224 -4.668 -6.098 40 HB3 SER 6 HB1 SER 6 -1.387 -4.002 -4.430 41 HG SER 6 HG SER 6 -2.289 -2.164 -5.414 42 H LYS 7 H LYS 7 -0.752 -1.637 -6.736 43 HA LYS 7 HA LYS 7 0.604 0.628 -5.432 44 HB2 LYS 7 HB2 LYS 7 0.221 0.806 -7.883 45 HB3 LYS 7 HB1 LYS 7 -1.517 0.725 -7.606 46 HG2 LYS 7 HG2 LYS 7 -1.383 2.834 -6.320 47 HG3 LYS 7 HG1 LYS 7 0.338 2.920 -6.678 48 HD2 LYS 7 HD2 LYS 7 -0.907 4.364 -8.187 49 HD3 LYS 7 HD1 LYS 7 -0.189 3.025 -9.075 50 HE2 LYS 7 HE2 LYS 7 -2.479 3.481 -9.802 51 HE3 LYS 7 HE1 LYS 7 -2.329 1.870 -9.117 52 HZ1 LYS 7 HZ1 LYS 7 -3.316 2.696 -7.060 53 HZ2 LYS 7 HZ2 LYS 7 -4.316 2.970 -8.358 54 HZ3 LYS 7 HZ3 LYS 7 -3.450 4.249 -7.702 55 H CYS 8 H CYS 8 -0.447 2.080 -4.140 56 HA CYS 8 HA CYS 8 -3.232 1.441 -3.400 57 HB2 CYS 8 HB2 CYS 8 -2.540 1.812 -1.047 58 HB3 CYS 8 HB1 CYS 8 -2.045 0.295 -1.784 59 H SER 9 H SER 9 -4.063 3.037 -1.746 60 HA SER 9 HA SER 9 -3.243 5.680 -2.446 61 HB2 SER 9 HB2 SER 9 -5.364 6.206 -1.428 62 HB3 SER 9 HB1 SER 9 -5.515 5.251 -2.926 63 HG SER 9 HG SER 9 -5.746 3.389 -1.385 64 HA HYP 10 HA HYP 10 -1.669 5.783 1.743 65 HB2 HYP 10 HB1 HYP 10 -0.096 7.374 1.274 66 HB3 HYP 10 HB2 HYP 10 -1.298 8.624 1.598 67 HG HYP 10 HG HYP 10 -0.930 9.001 -0.736 68 HD22 HYP 10 HD11 HYP 10 -2.692 7.436 -1.859 69 HD23 HYP 10 HD12 HYP 10 -3.270 8.387 -0.460 70 HD1 HYP 10 HD2 HYP 10 -1.023 6.417 -1.421 71 H SER 11 H SER 11 -4.561 6.985 0.857 72 HA SER 11 HA SER 11 -5.199 8.407 3.295 73 HB2 SER 11 HB2 SER 11 -7.307 8.799 1.881 74 HB3 SER 11 HB1 SER 11 -5.803 9.568 1.352 75 HG SER 11 HG SER 11 -6.962 8.452 -0.337 76 H MET 12 H MET 12 -6.624 5.925 1.189 77 HA MET 12 HA MET 12 -8.467 5.099 3.242 78 HB2 MET 12 HB2 MET 12 -8.018 4.001 0.468 79 HB3 MET 12 HB1 MET 12 -9.357 3.584 1.526 80 HG2 MET 12 HG2 MET 12 -10.163 5.870 1.439 81 HG3 MET 12 HG1 MET 12 -8.791 6.334 0.440 82 HE1 MET 12 HE1 MET 12 -11.823 6.539 -2.053 83 HE2 MET 12 HE2 MET 12 -10.466 7.410 -1.339 84 HE3 MET 12 3HE MET 12 -11.835 6.939 -0.335 85 H ARG 13 H ARG 13 -5.474 4.125 2.082 86 HA ARG 13 HA ARG 13 -4.146 2.314 2.214 87 HB2 ARG 13 HB2 ARG 13 -4.090 3.009 4.530 88 HB3 ARG 13 HB1 ARG 13 -5.583 2.128 4.823 89 HG2 ARG 13 HG2 ARG 13 -4.301 0.017 4.273 90 HG3 ARG 13 HG1 ARG 13 -2.843 1.010 4.188 91 HD2 ARG 13 HD2 ARG 13 -2.958 -0.041 6.352 92 HD3 ARG 13 HD1 ARG 13 -3.215 1.690 6.524 93 HE ARG 13 HE ARG 13 -5.533 -0.061 6.341 94 HH11 ARG 13 HH11 ARG 13 -3.508 2.108 8.265 95 HH12 ARG 13 HH12 ARG 13 -4.509 2.110 9.627 96 HH21 ARG 13 HH21 ARG 13 -6.970 -0.051 8.245 97 HH22 ARG 13 HH22 ARG 13 -6.519 0.836 9.623 98 H ASP 14 H ASP 14 -5.299 1.418 0.472 99 HA ASP 14 HA ASP 14 -7.417 -0.437 1.027 100 HB2 ASP 14 HB2 ASP 14 -7.545 -0.551 -1.470 101 HB3 ASP 14 HB1 ASP 14 -7.779 1.049 -0.778 102 H CYS 15 H CYS 15 -4.381 -0.817 1.460 103 HA CYS 15 HA CYS 15 -3.931 -3.291 -0.009 104 HB2 CYS 15 HB2 CYS 15 -2.252 -2.123 2.194 105 HB3 CYS 15 HB1 CYS 15 -1.807 -3.350 1.038 106 H CYS 16 H CYS 16 -3.505 -5.267 1.053 107 HA CYS 16 HA CYS 16 -5.267 -5.941 3.132 108 HB2 CYS 16 HB2 CYS 16 -2.821 -7.388 2.144 109 HB3 CYS 16 HB1 CYS 16 -4.123 -8.098 3.085 110 H THR 17 H THR 17 -1.886 -5.038 3.084 111 HA THR 17 HA THR 17 -1.672 -5.372 5.958 112 HB THR 17 HB THR 17 0.742 -4.688 5.448 113 HG1 THR 17 HG1 THR 17 1.260 -4.924 3.143 114 HG21 THR 17 HG21 THR 17 -0.358 -7.141 4.039 115 HG22 THR 17 HG22 THR 17 0.081 -7.055 5.748 116 HG23 THR 17 HG23 THR 17 1.324 -6.899 4.512 117 H THR 18 H THR 18 -0.163 -2.944 3.952 118 HA THR 18 HA THR 18 -1.823 -0.811 4.684 119 HB THR 18 HB THR 18 -0.498 -1.103 6.827 120 HG1 THR 18 HG1 THR 18 -0.475 1.002 7.074 121 HG21 THR 18 HG21 THR 18 1.838 -0.326 5.068 122 HG22 THR 18 HG22 THR 18 1.617 -1.878 5.874 123 HG23 THR 18 HG23 THR 18 1.880 -0.417 6.828 124 H CYS 19 H CYS 19 -0.453 1.254 3.994 125 HA CYS 19 HA CYS 19 0.553 0.581 1.296 126 HB2 CYS 19 HB2 CYS 19 -1.618 1.688 1.289 127 HB3 CYS 19 HB1 CYS 19 -1.001 2.987 2.302 128 H ILE 20 H ILE 20 2.572 1.235 0.912 129 HA ILE 20 HA ILE 20 3.984 2.847 2.834 130 HB ILE 20 HB ILE 20 4.936 1.921 0.100 131 HG12 ILE 20 HG12 ILE 20 5.014 0.399 2.728 132 HG13 ILE 20 HG11 ILE 20 4.119 -0.019 1.298 133 HG21 ILE 20 HG21 ILE 20 7.167 2.069 1.134 134 HG22 ILE 20 HG22 ILE 20 6.432 2.622 2.636 135 HG23 ILE 20 HG23 ILE 20 6.325 3.617 1.183 136 HD11 ILE 20 HD11 ILE 20 7.121 0.053 1.430 137 HD12 ILE 20 HD12 ILE 20 6.147 -0.419 0.038 138 HD13 ILE 20 HD13 ILE 20 6.123 -1.399 1.505 139 H SER 21 H SER 21 3.146 4.866 2.736 140 HA SER 21 HA SER 21 1.897 6.147 0.713 141 HB2 SER 21 HB2 SER 21 3.519 7.410 2.900 142 HB3 SER 21 HB1 SER 21 2.134 8.121 2.062 143 HG SER 21 HG SER 21 1.283 7.254 3.885 144 H TYR 22 H TYR 22 5.374 5.984 1.170 145 HA TYR 22 HA TYR 22 6.036 8.137 -0.594 146 HB2 TYR 22 HB2 TYR 22 7.547 7.225 1.190 147 HB3 TYR 22 HB1 TYR 22 7.721 5.783 0.230 148 HD1 TYR 22 HD1 TYR 22 8.453 9.423 0.187 149 HD2 TYR 22 HD2 TYR 22 9.229 5.638 -1.595 150 HE1 TYR 22 HE1 TYR 22 10.267 10.418 -1.114 151 HE2 TYR 22 HE2 TYR 22 11.052 6.623 -2.901 152 HH TYR 22 HH TYR 22 11.591 8.937 -3.774 153 H THR 23 H THR 23 6.191 4.679 -0.840 154 HA THR 23 HA THR 23 7.020 4.703 -3.603 155 HB THR 23 HB THR 23 6.185 2.306 -1.978 156 HG1 THR 23 HG1 THR 23 8.855 2.940 -1.911 157 HG21 THR 23 HG21 THR 23 8.311 2.715 -4.106 158 HG22 THR 23 HG22 THR 23 6.748 1.949 -4.369 159 HG23 THR 23 HG23 THR 23 7.934 1.190 -3.304 160 H LYS 24 H LYS 24 4.055 4.633 -1.945 161 HA LYS 24 HA LYS 24 1.915 4.441 -2.432 162 HB2 LYS 24 HB2 LYS 24 2.519 4.291 -5.375 163 HB3 LYS 24 HB1 LYS 24 1.064 4.767 -4.582 164 HG2 LYS 24 HG2 LYS 24 3.572 6.393 -4.352 165 HG3 LYS 24 HG1 LYS 24 2.286 6.717 -5.517 166 HD2 LYS 24 HD2 LYS 24 0.697 6.970 -3.671 167 HD3 LYS 24 HD1 LYS 24 1.991 6.652 -2.520 168 HE2 LYS 24 HE2 LYS 24 3.169 8.627 -3.249 169 HE3 LYS 24 HE1 LYS 24 1.933 8.943 -4.473 170 HZ1 LYS 24 HZ1 LYS 24 1.574 10.292 -2.524 171 HZ2 LYS 24 HZ2 LYS 24 1.523 8.926 -1.532 172 HZ3 LYS 24 HZ3 LYS 24 0.330 9.179 -2.696 173 H ARG 25 H ARG 25 3.516 2.143 -2.049 174 HA ARG 25 HA ARG 25 1.923 0.234 -3.579 175 HB2 ARG 25 HB2 ARG 25 4.812 -0.161 -2.863 176 HB3 ARG 25 HB1 ARG 25 3.801 -1.362 -3.628 177 HG2 ARG 25 HG2 ARG 25 4.735 1.249 -4.821 178 HG3 ARG 25 HG1 ARG 25 5.213 -0.380 -5.305 179 HD2 ARG 25 HD2 ARG 25 2.721 -0.756 -5.838 180 HD3 ARG 25 HD1 ARG 25 2.569 0.956 -5.567 181 HE ARG 25 HE ARG 25 4.359 1.168 -7.356 182 HH11 ARG 25 HH11 ARG 25 1.973 -1.414 -7.361 183 HH12 ARG 25 HH12 ARG 25 1.688 -1.389 -9.029 184 HH21 ARG 25 HH21 ARG 25 3.973 1.250 -9.693 185 HH22 ARG 25 HH22 ARG 25 2.875 0.174 -10.396 186 H CYS 26 H CYS 26 1.770 -1.858 -2.558 187 HA CYS 26 HA CYS 26 1.026 -1.448 0.183 188 HB2 CYS 26 HB2 CYS 26 0.692 -3.804 -1.658 189 HB3 CYS 26 HB1 CYS 26 0.036 -3.709 -0.026 190 H ARG 27 H ARG 27 1.945 -2.188 1.889 191 HA ARG 27 HA ARG 27 4.626 -3.050 1.964 192 HB2 ARG 27 HB2 ARG 27 3.261 -1.855 3.787 193 HB3 ARG 27 HB1 ARG 27 2.541 -3.401 4.093 194 HG2 ARG 27 HG2 ARG 27 4.707 -4.389 4.630 195 HG3 ARG 27 HG1 ARG 27 5.474 -2.828 4.362 196 HD2 ARG 27 HD2 ARG 27 4.292 -1.865 6.202 197 HD3 ARG 27 HD1 ARG 27 3.331 -3.331 6.408 198 HE ARG 27 HE ARG 27 5.952 -4.108 6.582 199 HH11 ARG 27 HH11 ARG 27 3.878 -1.867 8.410 200 HH12 ARG 27 HH12 ARG 27 4.641 -2.195 9.890 201 HH21 ARG 27 HH21 ARG 27 6.984 -4.513 8.672 202 HH22 ARG 27 HH22 ARG 27 6.399 -3.722 10.050 203 H LYS 28 H LYS 28 5.407 -5.099 2.697 204 HA LYS 28 HA LYS 28 3.816 -7.421 1.934 205 HB2 LYS 28 HB2 LYS 28 6.573 -7.286 3.146 206 HB3 LYS 28 HB1 LYS 28 5.788 -8.657 2.409 207 HG2 LYS 28 HG2 LYS 28 5.867 -7.674 0.233 208 HG3 LYS 28 HG1 LYS 28 6.520 -6.172 0.894 209 HD2 LYS 28 HD2 LYS 28 8.524 -7.293 1.594 210 HD3 LYS 28 HD1 LYS 28 7.874 -8.857 1.124 211 HE2 LYS 28 HE2 LYS 28 8.484 -6.559 -0.732 212 HE3 LYS 28 HE1 LYS 28 9.467 -8.002 -0.517 213 HZ1 LYS 28 HZ1 LYS 28 6.720 -7.890 -1.670 214 HZ2 LYS 28 HZ2 LYS 28 7.512 -9.307 -1.287 215 HZ3 LYS 28 HZ3 LYS 28 8.148 -8.298 -2.464 216 H TYR 29 H TYR 29 4.227 -9.247 3.506 217 HA TYR 29 HA TYR 29 2.928 -8.500 5.974 218 HB2 TYR 29 HB2 TYR 29 3.793 -11.159 4.835 219 HB3 TYR 29 HB1 TYR 29 3.035 -10.995 6.406 220 HD1 TYR 29 HD1 TYR 29 0.629 -10.377 6.541 221 HD2 TYR 29 HD2 TYR 29 2.530 -10.979 2.782 222 HE1 TYR 29 HE1 TYR 29 -1.572 -10.566 5.462 223 HE2 TYR 29 HE2 TYR 29 0.346 -11.159 1.696 224 HH TYR 29 HH TYR 29 -1.974 -11.811 2.389 225 H TYR 30 H TYR 30 5.785 -10.358 5.087 226 HA TYR 30 HA TYR 30 7.002 -9.632 7.582 227 HB2 TYR 30 HB2 TYR 30 7.798 -11.729 5.539 228 HB3 TYR 30 HB1 TYR 30 8.629 -11.425 7.060 229 HD1 TYR 30 HD1 TYR 30 7.705 -12.182 9.158 230 HD2 TYR 30 HD2 TYR 30 5.596 -12.766 5.520 231 HE1 TYR 30 HE1 TYR 30 6.186 -13.729 10.297 232 HE2 TYR 30 HE2 TYR 30 4.067 -14.307 6.632 233 HH TYR 30 HH TYR 30 4.006 -15.717 8.567 Start of MODEL 5 1 H1 CYS 1 HT1 CYS 1 -9.257 -6.002 -2.063 2 H2 CYS 1 HT2 CYS 1 -9.806 -5.880 -0.466 3 H3 CYS 1 HT3 CYS 1 -8.714 -7.100 -0.913 4 HA CYS 1 HA CYS 1 -8.175 -4.231 -0.989 5 HB2 CYS 1 HB2 CYS 1 -6.566 -4.843 0.872 6 HB3 CYS 1 HB1 CYS 1 -8.265 -4.794 1.292 7 H LYS 2 H LYS 2 -5.928 -3.777 -1.248 8 HA LYS 2 HA LYS 2 -4.926 -5.107 -3.563 9 HB2 LYS 2 HB2 LYS 2 -3.570 -3.014 -1.851 10 HB3 LYS 2 HB1 LYS 2 -3.096 -3.521 -3.452 11 HG2 LYS 2 HG2 LYS 2 -5.698 -2.170 -2.809 12 HG3 LYS 2 HG1 LYS 2 -4.226 -1.378 -3.385 13 HD2 LYS 2 HD2 LYS 2 -4.296 -2.714 -5.419 14 HD3 LYS 2 HD1 LYS 2 -5.777 -3.495 -4.856 15 HE2 LYS 2 HE2 LYS 2 -6.212 -1.661 -6.455 16 HE3 LYS 2 HE1 LYS 2 -6.952 -1.403 -4.878 17 HZ1 LYS 2 HZ1 LYS 2 -5.351 0.174 -4.308 18 HZ2 LYS 2 HZ2 LYS 2 -5.802 0.589 -5.868 19 HZ3 LYS 2 HZ3 LYS 2 -4.334 -0.219 -5.589 20 HA PRO 3 HA PRO 3 -2.291 -8.074 -1.492 21 HB2 PRO 3 HB2 PRO 3 -0.804 -8.772 -3.673 22 HB3 PRO 3 HB1 PRO 3 -2.469 -9.319 -3.460 23 HG2 PRO 3 HG2 PRO 3 -1.413 -7.050 -5.099 24 HG3 PRO 3 HG1 PRO 3 -2.619 -8.272 -5.536 25 HD2 PRO 3 HD2 PRO 3 -3.310 -5.792 -4.756 26 HD3 PRO 3 HD1 PRO 3 -4.303 -7.214 -4.366 27 HA HYP 4 HA HYP 4 1.370 -5.823 -0.383 28 HB2 HYP 4 HB1 HYP 4 2.279 -7.383 0.989 29 HB3 HYP 4 HB2 HYP 4 3.208 -8.000 -0.383 30 HG HYP 4 HG HYP 4 1.928 -9.903 -0.067 31 HD22 HYP 4 HD11 HYP 4 -0.510 -9.327 -1.070 32 HD23 HYP 4 HD12 HYP 4 0.917 -9.206 -2.124 33 HD1 HYP 4 HD2 HYP 4 -0.142 -9.727 0.856 34 H GLY 5 H GLY 5 2.573 -4.549 -1.574 35 HA2 GLY 5 HA2 GLY 5 4.273 -4.055 -3.089 36 HA3 GLY 5 HA1 GLY 5 4.008 -5.602 -3.874 37 H SER 6 H SER 6 0.988 -4.772 -3.650 38 HA SER 6 HA SER 6 0.807 -3.710 -6.273 39 HB2 SER 6 HB2 SER 6 -1.041 -4.938 -5.670 40 HB3 SER 6 HB1 SER 6 -1.283 -4.069 -4.114 41 HG SER 6 HG SER 6 -2.155 -2.414 -5.348 42 H LYS 7 H LYS 7 -0.482 -1.957 -6.573 43 HA LYS 7 HA LYS 7 0.763 0.360 -5.256 44 HB2 LYS 7 HB2 LYS 7 -0.189 1.786 -6.993 45 HB3 LYS 7 HB1 LYS 7 0.664 0.443 -7.730 46 HG2 LYS 7 HG2 LYS 7 -1.438 -0.678 -8.180 47 HG3 LYS 7 HG1 LYS 7 -2.317 0.620 -7.366 48 HD2 LYS 7 HD2 LYS 7 -1.440 2.212 -9.000 49 HD3 LYS 7 HD1 LYS 7 -0.612 0.892 -9.826 50 HE2 LYS 7 HE2 LYS 7 -2.765 -0.185 -10.240 51 HE3 LYS 7 HE1 LYS 7 -3.585 1.143 -9.426 52 HZ1 LYS 7 HZ1 LYS 7 -1.978 1.342 -11.912 53 HZ2 LYS 7 HZ2 LYS 7 -2.641 2.645 -11.091 54 HZ3 LYS 7 HZ3 LYS 7 -3.658 1.484 -11.775 55 H CYS 8 H CYS 8 -0.383 1.833 -4.131 56 HA CYS 8 HA CYS 8 -3.140 1.043 -3.531 57 HB2 CYS 8 HB2 CYS 8 -2.698 1.734 -1.203 58 HB3 CYS 8 HB1 CYS 8 -1.888 0.265 -1.714 59 H SER 9 H SER 9 -4.175 2.744 -2.111 60 HA SER 9 HA SER 9 -3.942 5.219 -3.488 61 HB2 SER 9 HB2 SER 9 -5.882 4.193 -1.499 62 HB3 SER 9 HB1 SER 9 -6.094 5.535 -2.623 63 HG SER 9 HG SER 9 -6.011 2.748 -3.199 64 HA HYP 10 HA HYP 10 -0.769 6.438 -0.587 65 HB2 HYP 10 HB1 HYP 10 -0.583 8.547 -1.346 66 HB3 HYP 10 HB2 HYP 10 -1.963 9.043 -0.351 67 HG HYP 10 HG HYP 10 -2.855 9.305 -2.599 68 HD22 HYP 10 HD11 HYP 10 -4.056 7.044 -2.906 69 HD23 HYP 10 HD12 HYP 10 -4.196 7.716 -1.255 70 HD1 HYP 10 HD2 HYP 10 -2.134 6.877 -3.347 71 H SER 11 H SER 11 -3.853 7.992 0.570 72 HA SER 11 HA SER 11 -2.974 7.362 3.276 73 HB2 SER 11 HB2 SER 11 -4.531 9.346 3.718 74 HB3 SER 11 HB1 SER 11 -2.972 9.663 2.935 75 HG SER 11 HG SER 11 -5.075 10.531 1.988 76 H MET 12 H MET 12 -4.850 5.779 1.288 77 HA MET 12 HA MET 12 -7.320 5.947 2.876 78 HB2 MET 12 HB2 MET 12 -6.843 4.713 0.182 79 HB3 MET 12 HB1 MET 12 -8.346 4.562 1.060 80 HG2 MET 12 HG2 MET 12 -8.635 6.986 0.977 81 HG3 MET 12 HG1 MET 12 -7.121 7.129 0.081 82 HE1 MET 12 HE1 MET 12 -9.868 7.870 -2.631 83 HE2 MET 12 HE2 MET 12 -8.442 8.490 -1.803 84 HE3 MET 12 3HE MET 12 -9.956 8.287 -0.923 85 H ARG 13 H ARG 13 -4.655 3.976 2.539 86 HA ARG 13 HA ARG 13 -4.168 1.796 2.821 87 HB2 ARG 13 HB2 ARG 13 -4.317 2.462 5.120 88 HB3 ARG 13 HB1 ARG 13 -6.067 2.292 5.082 89 HG2 ARG 13 HG2 ARG 13 -5.755 -0.169 4.753 90 HG3 ARG 13 HG1 ARG 13 -4.015 0.073 4.874 91 HD2 ARG 13 HD2 ARG 13 -6.017 0.692 7.041 92 HD3 ARG 13 HD1 ARG 13 -5.042 -0.768 6.954 93 HE ARG 13 HE ARG 13 -3.834 1.903 7.160 94 HH11 ARG 13 HH11 ARG 13 -4.060 -1.460 8.299 95 HH12 ARG 13 HH12 ARG 13 -2.843 -1.296 9.460 96 HH21 ARG 13 HH21 ARG 13 -2.177 2.122 8.813 97 HH22 ARG 13 HH22 ARG 13 -1.785 0.797 9.790 98 H ASP 14 H ASP 14 -5.105 1.210 0.830 99 HA ASP 14 HA ASP 14 -7.593 -0.296 1.017 100 HB2 ASP 14 HB2 ASP 14 -7.523 -0.207 -1.495 101 HB3 ASP 14 HB1 ASP 14 -7.639 1.367 -0.722 102 H CYS 15 H CYS 15 -4.561 -0.860 1.537 103 HA CYS 15 HA CYS 15 -4.275 -3.314 -0.013 104 HB2 CYS 15 HB2 CYS 15 -2.431 -2.214 2.095 105 HB3 CYS 15 HB1 CYS 15 -2.092 -3.475 0.926 106 H CYS 16 H CYS 16 -3.884 -5.315 1.004 107 HA CYS 16 HA CYS 16 -5.606 -5.890 3.173 108 HB2 CYS 16 HB2 CYS 16 -3.413 -7.505 1.913 109 HB3 CYS 16 HB1 CYS 16 -4.632 -8.135 3.012 110 H THR 17 H THR 17 -2.259 -5.139 2.928 111 HA THR 17 HA THR 17 -1.809 -5.613 5.754 112 HB THR 17 HB THR 17 0.525 -4.803 5.155 113 HG1 THR 17 HG1 THR 17 0.958 -4.769 2.877 114 HG21 THR 17 HG21 THR 17 -0.004 -7.212 5.216 115 HG22 THR 17 HG22 THR 17 1.148 -6.844 3.933 116 HG23 THR 17 HG23 THR 17 -0.548 -7.126 3.542 117 H THR 18 H THR 18 -0.532 -2.994 3.865 118 HA THR 18 HA THR 18 -2.310 -1.013 4.609 119 HB THR 18 HB THR 18 -1.145 -1.249 6.793 120 HG1 THR 18 HG1 THR 18 -0.730 0.967 7.006 121 HG21 THR 18 HG21 THR 18 1.058 -1.985 6.013 122 HG22 THR 18 HG22 THR 18 1.215 -0.539 7.008 123 HG23 THR 18 HG23 THR 18 1.323 -0.418 5.250 124 H CYS 19 H CYS 19 -1.157 1.138 3.977 125 HA CYS 19 HA CYS 19 0.080 0.604 1.349 126 HB2 CYS 19 HB2 CYS 19 -2.118 1.552 1.161 127 HB3 CYS 19 HB1 CYS 19 -1.748 2.796 2.346 128 H ILE 20 H ILE 20 2.085 1.232 1.172 129 HA ILE 20 HA ILE 20 3.423 2.877 3.074 130 HB ILE 20 HB ILE 20 4.285 1.960 0.313 131 HG12 ILE 20 HG12 ILE 20 4.583 0.570 2.993 132 HG13 ILE 20 HG11 ILE 20 3.682 0.036 1.610 133 HG21 ILE 20 HG21 ILE 20 5.875 2.910 2.675 134 HG22 ILE 20 HG22 ILE 20 5.644 3.762 1.147 135 HG23 ILE 20 HG23 ILE 20 6.564 2.255 1.188 136 HD11 ILE 20 HD11 ILE 20 6.676 0.301 1.651 137 HD12 ILE 20 HD12 ILE 20 5.695 -0.291 0.312 138 HD13 ILE 20 HD13 ILE 20 5.771 -1.202 1.822 139 H SER 21 H SER 21 2.733 4.943 3.056 140 HA SER 21 HA SER 21 1.474 6.240 0.919 141 HB2 SER 21 HB2 SER 21 1.142 6.768 3.316 142 HB3 SER 21 HB1 SER 21 2.764 7.450 3.374 143 HG SER 21 HG SER 21 1.651 8.676 1.398 144 H TYR 22 H TYR 22 4.795 5.868 1.629 145 HA TYR 22 HA TYR 22 5.936 8.169 0.462 146 HB2 TYR 22 HB2 TYR 22 6.962 6.478 2.037 147 HB3 TYR 22 HB1 TYR 22 7.102 5.410 0.668 148 HD1 TYR 22 HD1 TYR 22 8.927 5.589 -0.847 149 HD2 TYR 22 HD2 TYR 22 8.268 8.621 2.056 150 HE1 TYR 22 HE1 TYR 22 11.142 6.513 -1.322 151 HE2 TYR 22 HE2 TYR 22 10.478 9.561 1.585 152 HH TYR 22 HH TYR 22 12.630 8.763 0.688 153 H THR 23 H THR 23 5.657 4.864 -0.765 154 HA THR 23 HA THR 23 6.096 5.940 -3.476 155 HB THR 23 HB THR 23 7.906 4.450 -2.701 156 HG1 THR 23 HG1 THR 23 7.015 4.504 -4.963 157 HG21 THR 23 HG21 THR 23 7.498 2.025 -2.454 158 HG22 THR 23 HG22 THR 23 5.765 2.310 -2.624 159 HG23 THR 23 HG23 THR 23 6.634 2.967 -1.241 160 H LYS 24 H LYS 24 3.610 5.027 -1.692 161 HA LYS 24 HA LYS 24 1.556 4.299 -1.949 162 HB2 LYS 24 HB2 LYS 24 1.879 4.797 -4.903 163 HB3 LYS 24 HB1 LYS 24 0.391 4.610 -4.020 164 HG2 LYS 24 HG2 LYS 24 0.474 6.908 -4.319 165 HG3 LYS 24 HG1 LYS 24 1.120 6.704 -2.697 166 HD2 LYS 24 HD2 LYS 24 2.461 8.318 -3.929 167 HD3 LYS 24 HD1 LYS 24 3.416 6.861 -3.631 168 HE2 LYS 24 HE2 LYS 24 2.973 6.103 -5.916 169 HE3 LYS 24 HE1 LYS 24 1.964 7.518 -6.200 170 HZ1 LYS 24 HZ1 LYS 24 4.137 7.785 -7.131 171 HZ2 LYS 24 HZ2 LYS 24 4.890 7.523 -5.652 172 HZ3 LYS 24 HZ3 LYS 24 3.949 8.901 -5.884 173 H ARG 25 H ARG 25 3.134 2.261 -1.607 174 HA ARG 25 HA ARG 25 1.899 0.245 -3.333 175 HB2 ARG 25 HB2 ARG 25 4.726 0.083 -2.301 176 HB3 ARG 25 HB1 ARG 25 3.889 -1.191 -3.145 177 HG2 ARG 25 HG2 ARG 25 4.684 1.472 -4.307 178 HG3 ARG 25 HG1 ARG 25 5.415 -0.096 -4.663 179 HD2 ARG 25 HD2 ARG 25 3.091 -0.813 -5.493 180 HD3 ARG 25 HD1 ARG 25 2.659 0.866 -5.281 181 HE ARG 25 HE ARG 25 4.576 1.358 -6.803 182 HH11 ARG 25 HH11 ARG 25 2.584 -1.557 -7.148 183 HH12 ARG 25 HH12 ARG 25 2.781 -1.630 -8.845 184 HH21 ARG 25 HH21 ARG 25 4.825 1.220 -9.136 185 HH22 ARG 25 HH22 ARG 25 4.065 -0.074 -9.964 186 H CYS 26 H CYS 26 1.829 -1.880 -2.254 187 HA CYS 26 HA CYS 26 0.895 -1.412 0.432 188 HB2 CYS 26 HB2 CYS 26 0.779 -3.877 -1.289 189 HB3 CYS 26 HB1 CYS 26 -0.043 -3.653 0.253 190 H ARG 27 H ARG 27 1.702 -2.267 2.183 191 HA ARG 27 HA ARG 27 4.464 -2.891 2.301 192 HB2 ARG 27 HB2 ARG 27 2.881 -1.837 4.073 193 HB3 ARG 27 HB1 ARG 27 2.438 -3.478 4.412 194 HG2 ARG 27 HG2 ARG 27 4.720 -4.085 4.973 195 HG3 ARG 27 HG1 ARG 27 5.246 -2.435 4.638 196 HD2 ARG 27 HD2 ARG 27 3.787 -1.614 6.402 197 HD3 ARG 27 HD1 ARG 27 3.241 -3.246 6.747 198 HE ARG 27 HE ARG 27 6.047 -2.433 6.989 199 HH11 ARG 27 HH11 ARG 27 3.234 -4.141 8.328 200 HH12 ARG 27 HH12 ARG 27 3.949 -4.496 9.821 201 HH21 ARG 27 HH21 ARG 27 7.066 -2.956 9.056 202 HH22 ARG 27 HH22 ARG 27 6.188 -3.803 10.238 203 H LYS 28 H LYS 28 5.389 -4.887 2.926 204 HA LYS 28 HA LYS 28 3.841 -7.295 2.251 205 HB2 LYS 28 HB2 LYS 28 6.747 -7.030 2.967 206 HB3 LYS 28 HB1 LYS 28 5.921 -8.415 2.318 207 HG2 LYS 28 HG2 LYS 28 5.619 -7.344 0.180 208 HG3 LYS 28 HG1 LYS 28 6.299 -5.834 0.803 209 HD2 LYS 28 HD2 LYS 28 8.011 -6.991 -0.433 210 HD3 LYS 28 HD1 LYS 28 8.414 -7.054 1.283 211 HE2 LYS 28 HE2 LYS 28 7.262 -9.349 1.289 212 HE3 LYS 28 HE1 LYS 28 7.328 -9.245 -0.469 213 HZ1 LYS 28 HZ1 LYS 28 9.786 -8.944 -0.191 214 HZ2 LYS 28 HZ2 LYS 28 9.175 -10.433 0.276 215 HZ3 LYS 28 HZ3 LYS 28 9.553 -9.300 1.455 216 H TYR 29 H TYR 29 4.633 -9.152 3.633 217 HA TYR 29 HA TYR 29 4.189 -8.519 6.451 218 HB2 TYR 29 HB2 TYR 29 4.231 -11.121 4.892 219 HB3 TYR 29 HB1 TYR 29 4.075 -11.048 6.633 220 HD1 TYR 29 HD1 TYR 29 1.962 -10.503 7.648 221 HD2 TYR 29 HD2 TYR 29 2.394 -10.282 3.419 222 HE1 TYR 29 HE1 TYR 29 -0.464 -10.316 7.419 223 HE2 TYR 29 HE2 TYR 29 -0.031 -10.088 3.171 224 HH TYR 29 HH TYR 29 -2.075 -10.613 4.412 225 H TYR 30 H TYR 30 6.221 -10.571 4.439 226 HA TYR 30 HA TYR 30 8.582 -9.685 5.790 227 HB2 TYR 30 HB2 TYR 30 7.844 -12.565 5.198 228 HB3 TYR 30 HB1 TYR 30 9.454 -12.036 5.662 229 HD1 TYR 30 HD1 TYR 30 9.634 -10.841 7.953 230 HD2 TYR 30 HD2 TYR 30 6.310 -13.230 6.807 231 HE1 TYR 30 HE1 TYR 30 9.025 -11.110 10.309 232 HE2 TYR 30 HE2 TYR 30 5.692 -13.509 9.161 233 HH TYR 30 HH TYR 30 6.812 -13.393 11.395 Start of MODEL 6 1 H1 CYS 1 HT1 CYS 1 -8.518 -7.339 -0.566 2 H2 CYS 1 HT2 CYS 1 -9.307 -6.360 -1.658 3 H3 CYS 1 HT3 CYS 1 -9.734 -6.307 -0.025 4 HA CYS 1 HA CYS 1 -8.379 -4.415 -0.610 5 HB2 CYS 1 HB2 CYS 1 -6.430 -4.948 0.989 6 HB3 CYS 1 HB1 CYS 1 -8.061 -5.021 1.636 7 H LYS 2 H LYS 2 -5.991 -3.775 -0.981 8 HA LYS 2 HA LYS 2 -5.261 -5.077 -3.432 9 HB2 LYS 2 HB2 LYS 2 -3.820 -2.806 -2.033 10 HB3 LYS 2 HB1 LYS 2 -3.644 -3.284 -3.711 11 HG2 LYS 2 HG2 LYS 2 -6.095 -2.060 -2.435 12 HG3 LYS 2 HG1 LYS 2 -4.967 -1.297 -3.560 13 HD2 LYS 2 HD2 LYS 2 -5.718 -2.583 -5.374 14 HD3 LYS 2 HD1 LYS 2 -6.486 -3.772 -4.328 15 HE2 LYS 2 HE2 LYS 2 -8.179 -2.386 -5.389 16 HE3 LYS 2 HE1 LYS 2 -8.151 -2.111 -3.660 17 HZ1 LYS 2 HZ1 LYS 2 -6.953 -0.058 -4.012 18 HZ2 LYS 2 HZ2 LYS 2 -8.391 -0.076 -4.869 19 HZ3 LYS 2 HZ3 LYS 2 -6.927 -0.299 -5.686 20 HA PRO 3 HA PRO 3 -2.520 -7.956 -1.525 21 HB2 PRO 3 HB2 PRO 3 -1.229 -8.737 -3.810 22 HB3 PRO 3 HB1 PRO 3 -2.860 -9.274 -3.402 23 HG2 PRO 3 HG2 PRO 3 -1.993 -7.072 -5.231 24 HG3 PRO 3 HG1 PRO 3 -3.236 -8.311 -5.487 25 HD2 PRO 3 HD2 PRO 3 -3.859 -5.816 -4.759 26 HD3 PRO 3 HD1 PRO 3 -4.779 -7.212 -4.155 27 HA HYP 4 HA HYP 4 1.345 -5.907 -0.686 28 HB2 HYP 4 HB1 HYP 4 2.581 -7.503 0.366 29 HB3 HYP 4 HB2 HYP 4 2.965 -8.280 -1.174 30 HG HYP 4 HG HYP 4 1.632 -9.949 -0.251 31 HD22 HYP 4 HD11 HYP 4 -0.866 -9.155 -0.843 32 HD23 HYP 4 HD12 HYP 4 0.309 -9.377 -2.157 33 HD1 HYP 4 HD2 HYP 4 0.045 -9.573 1.169 34 H GLY 5 H GLY 5 2.561 -4.653 -1.944 35 HA2 GLY 5 HA2 GLY 5 4.040 -4.166 -3.674 36 HA3 GLY 5 HA1 GLY 5 3.600 -5.671 -4.457 37 H SER 6 H SER 6 0.668 -4.687 -3.880 38 HA SER 6 HA SER 6 0.295 -3.562 -6.428 39 HB2 SER 6 HB2 SER 6 -1.531 -4.702 -5.645 40 HB3 SER 6 HB1 SER 6 -1.583 -3.832 -4.070 41 HG SER 6 HG SER 6 -2.476 -2.129 -5.207 42 H LYS 7 H LYS 7 -0.894 -1.732 -6.568 43 HA LYS 7 HA LYS 7 0.597 0.506 -5.346 44 HB2 LYS 7 HB2 LYS 7 -0.487 2.019 -6.963 45 HB3 LYS 7 HB1 LYS 7 0.252 0.670 -7.806 46 HG2 LYS 7 HG2 LYS 7 -1.937 -0.376 -8.090 47 HG3 LYS 7 HG1 LYS 7 -2.679 0.921 -7.157 48 HD2 LYS 7 HD2 LYS 7 -2.019 2.546 -8.836 49 HD3 LYS 7 HD1 LYS 7 -1.198 1.291 -9.755 50 HE2 LYS 7 HE2 LYS 7 -3.379 1.784 -10.729 51 HE3 LYS 7 HE1 LYS 7 -3.345 0.142 -10.094 52 HZ1 LYS 7 HZ1 LYS 7 -4.552 0.960 -8.116 53 HZ2 LYS 7 HZ2 LYS 7 -5.399 1.247 -9.528 54 HZ3 LYS 7 HZ3 LYS 7 -4.610 2.506 -8.784 55 H CYS 8 H CYS 8 -0.407 2.040 -4.078 56 HA CYS 8 HA CYS 8 -3.148 1.289 -3.354 57 HB2 CYS 8 HB2 CYS 8 -2.575 2.096 -1.033 58 HB3 CYS 8 HB1 CYS 8 -1.992 0.517 -1.523 59 H SER 9 H SER 9 -4.332 2.921 -2.126 60 HA SER 9 HA SER 9 -3.980 5.435 -3.416 61 HB2 SER 9 HB2 SER 9 -6.109 4.449 -1.625 62 HB3 SER 9 HB1 SER 9 -6.176 5.722 -2.836 63 HG SER 9 HG SER 9 -6.079 2.932 -3.245 64 HA HYP 10 HA HYP 10 -1.710 6.884 0.059 65 HB2 HYP 10 HB1 HYP 10 -1.364 9.038 -0.566 66 HB3 HYP 10 HB2 HYP 10 -3.036 9.478 -0.190 67 HG HYP 10 HG HYP 10 -2.921 9.598 -2.633 68 HD22 HYP 10 HD11 HYP 10 -4.085 7.362 -3.151 69 HD23 HYP 10 HD12 HYP 10 -4.739 8.216 -1.725 70 HD1 HYP 10 HD2 HYP 10 -2.148 7.108 -2.962 71 H SER 11 H SER 11 -5.031 8.341 0.270 72 HA SER 11 HA SER 11 -4.726 8.334 3.121 73 HB2 SER 11 HB2 SER 11 -7.111 9.220 1.499 74 HB3 SER 11 HB1 SER 11 -6.657 9.698 3.133 75 HG SER 11 HG SER 11 -4.933 10.792 2.373 76 H MET 12 H MET 12 -5.923 6.155 0.833 77 HA MET 12 HA MET 12 -8.090 5.186 2.493 78 HB2 MET 12 HB2 MET 12 -6.997 3.913 -0.008 79 HB3 MET 12 HB1 MET 12 -8.446 3.434 0.837 80 HG2 MET 12 HG2 MET 12 -9.475 5.594 0.320 81 HG3 MET 12 HG1 MET 12 -8.022 6.059 -0.560 82 HE1 MET 12 HE1 MET 12 -10.837 6.220 -1.946 83 HE2 MET 12 HE2 MET 12 -10.482 5.489 -3.512 84 HE3 MET 12 3HE MET 12 -9.318 6.581 -2.766 85 H ARG 13 H ARG 13 -4.950 4.211 1.593 86 HA ARG 13 HA ARG 13 -3.514 2.546 2.277 87 HB2 ARG 13 HB2 ARG 13 -3.654 3.803 4.333 88 HB3 ARG 13 HB1 ARG 13 -5.184 3.056 4.720 89 HG2 ARG 13 HG2 ARG 13 -4.042 0.961 5.228 90 HG3 ARG 13 HG1 ARG 13 -2.509 1.643 4.672 91 HD2 ARG 13 HD2 ARG 13 -2.769 1.647 7.150 92 HD3 ARG 13 HD1 ARG 13 -2.494 3.238 6.450 93 HE ARG 13 HE ARG 13 -5.242 2.406 6.942 94 HH11 ARG 13 HH11 ARG 13 -2.477 4.379 7.939 95 HH12 ARG 13 HH12 ARG 13 -3.394 5.474 8.849 96 HH21 ARG 13 HH21 ARG 13 -6.526 3.972 8.249 97 HH22 ARG 13 HH22 ARG 13 -5.686 5.221 9.037 98 H ASP 14 H ASP 14 -5.410 1.760 0.693 99 HA ASP 14 HA ASP 14 -7.274 -0.171 1.589 100 HB2 ASP 14 HB2 ASP 14 -7.785 -0.313 -0.854 101 HB3 ASP 14 HB1 ASP 14 -7.944 1.287 -0.143 102 H CYS 15 H CYS 15 -4.310 -0.807 1.694 103 HA CYS 15 HA CYS 15 -4.183 -3.186 0.007 104 HB2 CYS 15 HB2 CYS 15 -2.180 -2.257 2.060 105 HB3 CYS 15 HB1 CYS 15 -1.963 -3.484 0.839 106 H CYS 16 H CYS 16 -3.621 -5.253 0.960 107 HA CYS 16 HA CYS 16 -5.312 -5.962 3.110 108 HB2 CYS 16 HB2 CYS 16 -3.080 -7.476 1.771 109 HB3 CYS 16 HB1 CYS 16 -4.254 -8.178 2.882 110 H THR 17 H THR 17 -1.912 -5.212 2.873 111 HA THR 17 HA THR 17 -1.502 -5.791 5.679 112 HB THR 17 HB THR 17 0.846 -4.940 5.068 113 HG1 THR 17 HG1 THR 17 1.198 -5.089 2.709 114 HG21 THR 17 HG21 THR 17 -0.230 -7.345 3.559 115 HG22 THR 17 HG22 THR 17 0.356 -7.358 5.223 116 HG23 THR 17 HG23 THR 17 1.470 -7.030 3.897 117 H THR 18 H THR 18 -0.310 -3.168 3.761 118 HA THR 18 HA THR 18 -2.012 -1.157 4.617 119 HB THR 18 HB THR 18 -0.739 -1.466 6.752 120 HG1 THR 18 HG1 THR 18 0.128 0.927 6.601 121 HG21 THR 18 HG21 THR 18 1.640 -0.550 5.125 122 HG22 THR 18 HG22 THR 18 1.414 -2.156 5.810 123 HG23 THR 18 HG23 THR 18 1.619 -0.767 6.877 124 H CYS 19 H CYS 19 -0.871 0.960 3.986 125 HA CYS 19 HA CYS 19 0.352 0.524 1.333 126 HB2 CYS 19 HB2 CYS 19 -1.799 1.598 1.260 127 HB3 CYS 19 HB1 CYS 19 -1.328 2.764 2.498 128 H ILE 20 H ILE 20 2.415 1.118 1.233 129 HA ILE 20 HA ILE 20 3.613 2.670 3.351 130 HB ILE 20 HB ILE 20 4.880 1.795 0.732 131 HG12 ILE 20 HG12 ILE 20 4.619 0.270 3.333 132 HG13 ILE 20 HG11 ILE 20 3.969 -0.172 1.783 133 HG21 ILE 20 HG21 ILE 20 6.105 3.491 2.001 134 HG22 ILE 20 HG22 ILE 20 6.979 1.957 2.000 135 HG23 ILE 20 HG23 ILE 20 6.075 2.459 3.429 136 HD11 ILE 20 HD11 ILE 20 6.916 -0.036 2.385 137 HD12 ILE 20 HD12 ILE 20 6.184 -0.532 0.860 138 HD13 ILE 20 HD13 ILE 20 5.950 -1.509 2.311 139 H SER 21 H SER 21 2.918 4.767 3.230 140 HA SER 21 HA SER 21 1.952 6.159 1.104 141 HB2 SER 21 HB2 SER 21 3.451 7.316 3.444 142 HB3 SER 21 HB1 SER 21 2.105 8.029 2.549 143 HG SER 21 HG SER 21 0.776 6.960 3.768 144 H TYR 22 H TYR 22 5.235 5.673 2.031 145 HA TYR 22 HA TYR 22 6.588 7.682 0.612 146 HB2 TYR 22 HB2 TYR 22 7.478 6.134 2.387 147 HB3 TYR 22 HB1 TYR 22 7.475 4.873 1.191 148 HD1 TYR 22 HD1 TYR 22 9.486 4.347 0.225 149 HD2 TYR 22 HD2 TYR 22 8.807 8.354 1.490 150 HE1 TYR 22 HE1 TYR 22 11.771 4.936 -0.433 151 HE2 TYR 22 HE2 TYR 22 11.085 8.951 0.825 152 HH TYR 22 HH TYR 22 13.244 7.761 0.558 153 H THR 23 H THR 23 5.985 4.336 -0.222 154 HA THR 23 HA THR 23 6.959 4.736 -2.948 155 HB THR 23 HB THR 23 6.015 2.164 -1.681 156 HG1 THR 23 HG1 THR 23 8.494 3.534 -1.575 157 HG21 THR 23 HG21 THR 23 6.420 2.129 -4.132 158 HG22 THR 23 HG22 THR 23 7.598 1.146 -3.263 159 HG23 THR 23 HG23 THR 23 8.050 2.740 -3.864 160 H LYS 24 H LYS 24 3.904 4.342 -1.305 161 HA LYS 24 HA LYS 24 1.786 4.093 -1.842 162 HB2 LYS 24 HB2 LYS 24 2.382 4.695 -4.730 163 HB3 LYS 24 HB1 LYS 24 0.879 4.759 -3.890 164 HG2 LYS 24 HG2 LYS 24 3.136 6.619 -3.250 165 HG3 LYS 24 HG1 LYS 24 1.727 7.035 -4.239 166 HD2 LYS 24 HD2 LYS 24 0.273 6.491 -2.308 167 HD3 LYS 24 HD1 LYS 24 1.716 6.178 -1.345 168 HE2 LYS 24 HE2 LYS 24 0.881 8.391 -0.891 169 HE3 LYS 24 HE1 LYS 24 2.443 8.487 -1.704 170 HZ1 LYS 24 HZ1 LYS 24 0.813 10.067 -2.568 171 HZ2 LYS 24 HZ2 LYS 24 -0.189 8.790 -3.041 172 HZ3 LYS 24 HZ3 LYS 24 1.322 8.996 -3.762 173 H ARG 25 H ARG 25 3.400 1.964 -1.745 174 HA ARG 25 HA ARG 25 1.873 0.170 -3.438 175 HB2 ARG 25 HB2 ARG 25 4.751 -0.200 -2.666 176 HB3 ARG 25 HB1 ARG 25 3.775 -1.408 -3.466 177 HG2 ARG 25 HG2 ARG 25 4.639 1.245 -4.610 178 HG3 ARG 25 HG1 ARG 25 5.238 -0.349 -5.081 179 HD2 ARG 25 HD2 ARG 25 2.760 -0.851 -5.690 180 HD3 ARG 25 HD1 ARG 25 2.550 0.862 -5.471 181 HE ARG 25 HE ARG 25 4.412 1.095 -7.171 182 HH11 ARG 25 HH11 ARG 25 2.086 -1.575 -7.257 183 HH12 ARG 25 HH12 ARG 25 1.941 -1.579 -8.950 184 HH21 ARG 25 HH21 ARG 25 4.300 1.010 -9.483 185 HH22 ARG 25 HH22 ARG 25 3.276 -0.111 -10.271 186 H CYS 26 H CYS 26 1.716 -1.940 -2.478 187 HA CYS 26 HA CYS 26 0.965 -1.615 0.258 188 HB2 CYS 26 HB2 CYS 26 0.719 -3.971 -1.597 189 HB3 CYS 26 HB1 CYS 26 -0.032 -3.831 -0.007 190 H ARG 27 H ARG 27 1.850 -2.466 1.928 191 HA ARG 27 HA ARG 27 4.592 -3.065 1.999 192 HB2 ARG 27 HB2 ARG 27 3.093 -2.079 3.789 193 HB3 ARG 27 HB1 ARG 27 2.511 -3.692 4.055 194 HG2 ARG 27 HG2 ARG 27 4.719 -4.470 4.676 195 HG3 ARG 27 HG1 ARG 27 5.371 -2.851 4.396 196 HD2 ARG 27 HD2 ARG 27 3.970 -1.959 6.149 197 HD3 ARG 27 HD1 ARG 27 3.228 -3.541 6.388 198 HE ARG 27 HE ARG 27 5.939 -3.868 6.652 199 HH11 ARG 27 HH11 ARG 27 3.370 -2.108 8.358 200 HH12 ARG 27 HH12 ARG 27 4.117 -2.229 9.876 201 HH21 ARG 27 HH21 ARG 27 6.944 -4.032 8.762 202 HH22 ARG 27 HH22 ARG 27 6.168 -3.353 10.112 203 H LYS 28 H LYS 28 5.634 -5.033 2.493 204 HA LYS 28 HA LYS 28 4.310 -7.477 1.615 205 HB2 LYS 28 HB2 LYS 28 7.061 -7.191 2.813 206 HB3 LYS 28 HB1 LYS 28 6.452 -8.458 1.786 207 HG2 LYS 28 HG2 LYS 28 6.414 -7.055 -0.135 208 HG3 LYS 28 HG1 LYS 28 6.822 -5.635 0.822 209 HD2 LYS 28 HD2 LYS 28 8.796 -6.384 -0.347 210 HD3 LYS 28 HD1 LYS 28 9.002 -6.698 1.367 211 HE2 LYS 28 HE2 LYS 28 9.794 -8.581 0.073 212 HE3 LYS 28 HE1 LYS 28 8.377 -9.041 1.003 213 HZ1 LYS 28 HZ1 LYS 28 8.302 -9.882 -1.276 214 HZ2 LYS 28 HZ2 LYS 28 8.370 -8.317 -1.876 215 HZ3 LYS 28 HZ3 LYS 28 7.029 -8.821 -0.996 216 H TYR 29 H TYR 29 4.878 -9.350 3.080 217 HA TYR 29 HA TYR 29 3.569 -8.902 5.556 218 HB2 TYR 29 HB2 TYR 29 4.924 -11.295 4.380 219 HB3 TYR 29 HB1 TYR 29 4.237 -11.333 5.994 220 HD1 TYR 29 HD1 TYR 29 1.706 -10.386 6.059 221 HD2 TYR 29 HD2 TYR 29 3.600 -12.026 2.619 222 HE1 TYR 29 HE1 TYR 29 -0.488 -10.845 5.075 223 HE2 TYR 29 HE2 TYR 29 1.403 -12.486 1.630 224 HH TYR 29 HH TYR 29 -0.923 -12.886 2.487 225 H TYR 30 H TYR 30 6.846 -10.002 4.842 226 HA TYR 30 HA TYR 30 7.654 -8.646 7.261 227 HB2 TYR 30 HB2 TYR 30 8.976 -11.018 5.934 228 HB3 TYR 30 HB1 TYR 30 9.572 -10.196 7.364 229 HD1 TYR 30 HD1 TYR 30 7.917 -10.159 9.411 230 HD2 TYR 30 HD2 TYR 30 7.630 -12.864 6.150 231 HE1 TYR 30 HE1 TYR 30 6.617 -11.703 10.810 232 HE2 TYR 30 HE2 TYR 30 6.333 -14.392 7.511 233 HH TYR 30 HH TYR 30 4.931 -13.582 10.428 Start of MODEL 7 1 H1 CYS 1 HT1 CYS 1 -9.397 -5.845 -1.147 2 H2 CYS 1 HT2 CYS 1 -9.635 -5.899 0.526 3 H3 CYS 1 HT3 CYS 1 -8.659 -7.051 -0.244 4 HA CYS 1 HA CYS 1 -8.083 -4.191 -0.100 5 HB2 CYS 1 HB2 CYS 1 -6.158 -5.038 1.288 6 HB3 CYS 1 HB1 CYS 1 -7.728 -5.062 2.063 7 H LYS 2 H LYS 2 -5.886 -3.763 -0.749 8 HA LYS 2 HA LYS 2 -5.252 -5.081 -3.213 9 HB2 LYS 2 HB2 LYS 2 -3.955 -2.764 -1.782 10 HB3 LYS 2 HB1 LYS 2 -3.361 -3.417 -3.293 11 HG2 LYS 2 HG2 LYS 2 -6.084 -2.217 -2.863 12 HG3 LYS 2 HG1 LYS 2 -4.700 -1.407 -3.597 13 HD2 LYS 2 HD2 LYS 2 -4.669 -3.154 -5.363 14 HD3 LYS 2 HD1 LYS 2 -6.128 -3.849 -4.655 15 HE2 LYS 2 HE2 LYS 2 -7.316 -1.747 -5.035 16 HE3 LYS 2 HE1 LYS 2 -5.860 -1.055 -5.742 17 HZ1 LYS 2 HZ1 LYS 2 -7.356 -3.383 -6.818 18 HZ2 LYS 2 HZ2 LYS 2 -5.945 -2.743 -7.467 19 HZ3 LYS 2 HZ3 LYS 2 -7.353 -1.818 -7.453 20 HA PRO 3 HA PRO 3 -2.297 -7.964 -1.505 21 HB2 PRO 3 HB2 PRO 3 -1.171 -7.908 -4.238 22 HB3 PRO 3 HB1 PRO 3 -1.809 -9.268 -3.315 23 HG2 PRO 3 HG2 PRO 3 -3.145 -8.261 -5.382 24 HG3 PRO 3 HG1 PRO 3 -3.988 -8.838 -3.932 25 HD2 PRO 3 HD2 PRO 3 -3.371 -6.034 -4.767 26 HD3 PRO 3 HD1 PRO 3 -4.834 -6.733 -4.032 27 HA HYP 4 HA HYP 4 1.557 -5.805 -0.760 28 HB2 HYP 4 HB1 HYP 4 3.171 -7.329 -0.268 29 HB3 HYP 4 HB2 HYP 4 2.937 -8.224 -1.775 30 HG HYP 4 HG HYP 4 1.920 -9.626 -0.129 31 HD22 HYP 4 HD11 HYP 4 -0.614 -8.816 -0.527 32 HD23 HYP 4 HD12 HYP 4 0.352 -9.346 -1.922 33 HD1 HYP 4 HD2 HYP 4 1.573 -7.306 1.126 34 H GLY 5 H GLY 5 2.817 -4.479 -1.917 35 HA2 GLY 5 HA2 GLY 5 4.148 -3.769 -3.629 36 HA3 GLY 5 HA1 GLY 5 3.795 -5.260 -4.485 37 H SER 6 H SER 6 0.820 -4.459 -3.875 38 HA SER 6 HA SER 6 0.392 -3.220 -6.366 39 HB2 SER 6 HB2 SER 6 -1.384 -4.453 -5.673 40 HB3 SER 6 HB1 SER 6 -1.457 -3.710 -4.031 41 HG SER 6 HG SER 6 -2.384 -1.895 -5.088 42 H LYS 7 H LYS 7 -0.878 -1.428 -6.407 43 HA LYS 7 HA LYS 7 0.666 0.804 -5.276 44 HB2 LYS 7 HB2 LYS 7 -0.048 0.795 -7.701 45 HB3 LYS 7 HB1 LYS 7 -1.717 0.906 -7.170 46 HG2 LYS 7 HG2 LYS 7 -1.027 3.057 -7.874 47 HG3 LYS 7 HG1 LYS 7 -1.138 3.101 -6.111 48 HD2 LYS 7 HD2 LYS 7 1.287 2.809 -5.966 49 HD3 LYS 7 HD1 LYS 7 1.386 2.744 -7.727 50 HE2 LYS 7 HE2 LYS 7 0.437 5.076 -6.074 51 HE3 LYS 7 HE1 LYS 7 1.991 4.951 -6.888 52 HZ1 LYS 7 HZ1 LYS 7 0.499 6.275 -8.165 53 HZ2 LYS 7 HZ2 LYS 7 -0.678 5.080 -8.219 54 HZ3 LYS 7 HZ3 LYS 7 0.780 4.858 -9.020 55 H CYS 8 H CYS 8 -0.206 2.151 -3.694 56 HA CYS 8 HA CYS 8 -2.870 1.339 -2.780 57 HB2 CYS 8 HB2 CYS 8 -2.191 2.300 -0.552 58 HB3 CYS 8 HB1 CYS 8 -1.524 0.751 -1.010 59 H SER 9 H SER 9 -4.148 2.883 -1.638 60 HA SER 9 HA SER 9 -4.071 5.376 -3.012 61 HB2 SER 9 HB2 SER 9 -6.281 5.500 -2.013 62 HB3 SER 9 HB1 SER 9 -6.091 4.176 -3.191 63 HG SER 9 HG SER 9 -6.273 2.734 -1.530 64 HA HYP 10 HA HYP 10 -2.917 7.134 0.915 65 HB2 HYP 10 HB1 HYP 10 -2.158 9.151 0.152 66 HB3 HYP 10 HB2 HYP 10 -3.809 9.774 0.050 67 HG HYP 10 HG HYP 10 -3.167 9.679 -2.270 68 HD22 HYP 10 HD11 HYP 10 -4.132 7.348 -2.941 69 HD23 HYP 10 HD12 HYP 10 -5.186 8.347 -1.906 70 HD1 HYP 10 HD2 HYP 10 -2.341 7.219 -2.399 71 H SER 11 H SER 11 -6.059 7.587 -0.376 72 HA SER 11 HA SER 11 -7.175 8.787 1.979 73 HB2 SER 11 HB2 SER 11 -8.548 7.738 -0.478 74 HB3 SER 11 HB1 SER 11 -9.166 8.930 0.667 75 HG SER 11 HG SER 11 -8.293 9.844 -1.264 76 H MET 12 H MET 12 -7.365 5.646 0.271 77 HA MET 12 HA MET 12 -9.099 4.673 2.386 78 HB2 MET 12 HB2 MET 12 -8.316 3.382 -0.215 79 HB3 MET 12 HB1 MET 12 -9.358 2.632 0.982 80 HG2 MET 12 HG2 MET 12 -10.978 4.447 0.692 81 HG3 MET 12 HG1 MET 12 -9.926 5.177 -0.520 82 HE1 MET 12 HE1 MET 12 -8.845 2.550 -2.079 83 HE2 MET 12 HE2 MET 12 -9.369 4.022 -2.890 84 HE3 MET 12 3HE MET 12 -10.023 2.466 -3.386 85 H ARG 13 H ARG 13 -5.965 4.206 1.152 86 HA ARG 13 HA ARG 13 -4.169 2.852 1.727 87 HB2 ARG 13 HB2 ARG 13 -4.355 4.271 3.699 88 HB3 ARG 13 HB1 ARG 13 -5.607 3.228 4.340 89 HG2 ARG 13 HG2 ARG 13 -3.847 1.431 4.560 90 HG3 ARG 13 HG1 ARG 13 -2.648 2.623 4.054 91 HD2 ARG 13 HD2 ARG 13 -2.747 2.386 6.495 92 HD3 ARG 13 HD1 ARG 13 -3.180 4.007 5.971 93 HE ARG 13 HE ARG 13 -5.519 2.556 6.128 94 HH11 ARG 13 HH11 ARG 13 -3.021 3.617 8.383 95 HH12 ARG 13 HH12 ARG 13 -4.068 3.788 9.712 96 HH21 ARG 13 HH21 ARG 13 -7.004 2.843 7.932 97 HH22 ARG 13 HH22 ARG 13 -6.399 3.348 9.430 98 H ASP 14 H ASP 14 -6.008 1.530 0.471 99 HA ASP 14 HA ASP 14 -7.454 -0.445 1.920 100 HB2 ASP 14 HB2 ASP 14 -8.352 -1.020 -0.246 101 HB3 ASP 14 HB1 ASP 14 -8.491 0.706 0.082 102 H CYS 15 H CYS 15 -4.576 -0.782 1.942 103 HA CYS 15 HA CYS 15 -4.068 -3.150 0.305 104 HB2 CYS 15 HB2 CYS 15 -2.298 -2.048 2.485 105 HB3 CYS 15 HB1 CYS 15 -1.885 -3.194 1.252 106 H CYS 16 H CYS 16 -3.511 -5.196 1.214 107 HA CYS 16 HA CYS 16 -5.168 -5.985 3.362 108 HB2 CYS 16 HB2 CYS 16 -2.882 -7.413 2.024 109 HB3 CYS 16 HB1 CYS 16 -4.034 -8.157 3.123 110 H THR 17 H THR 17 -1.858 -5.029 3.158 111 HA THR 17 HA THR 17 -1.467 -5.612 5.993 112 HB THR 17 HB THR 17 0.949 -4.996 5.409 113 HG1 THR 17 HG1 THR 17 1.302 -5.278 3.024 114 HG21 THR 17 HG21 THR 17 0.219 -7.350 5.635 115 HG22 THR 17 HG22 THR 17 1.410 -7.184 4.346 116 HG23 THR 17 HG23 THR 17 -0.300 -7.344 3.949 117 H THR 18 H THR 18 0.018 -3.163 4.022 118 HA THR 18 HA THR 18 -1.478 -0.989 4.989 119 HB THR 18 HB THR 18 -0.104 -1.427 6.997 120 HG1 THR 18 HG1 THR 18 0.157 0.642 7.289 121 HG21 THR 18 HG21 THR 18 2.272 -0.921 5.190 122 HG22 THR 18 HG22 THR 18 1.845 -2.461 5.931 123 HG23 THR 18 HG23 THR 18 2.334 -1.099 6.944 124 H CYS 19 H CYS 19 -0.098 1.034 4.373 125 HA CYS 19 HA CYS 19 0.762 0.611 1.580 126 HB2 CYS 19 HB2 CYS 19 -1.303 1.754 1.640 127 HB3 CYS 19 HB1 CYS 19 -0.790 2.829 2.936 128 H ILE 20 H ILE 20 2.849 0.893 1.373 129 HA ILE 20 HA ILE 20 4.506 2.299 3.229 130 HB ILE 20 HB ILE 20 5.129 1.358 0.403 131 HG12 ILE 20 HG12 ILE 20 5.323 -0.147 3.020 132 HG13 ILE 20 HG11 ILE 20 4.264 -0.502 1.683 133 HG21 ILE 20 HG21 ILE 20 6.945 1.906 2.757 134 HG22 ILE 20 HG22 ILE 20 6.780 2.906 1.308 135 HG23 ILE 20 HG23 ILE 20 7.459 1.285 1.186 136 HD11 ILE 20 HD11 ILE 20 7.266 -0.680 1.547 137 HD12 ILE 20 HD12 ILE 20 6.130 -1.096 0.263 138 HD13 ILE 20 HD13 ILE 20 6.166 -2.042 1.752 139 H SER 21 H SER 21 4.431 4.484 3.240 140 HA SER 21 HA SER 21 3.056 5.840 1.178 141 HB2 SER 21 HB2 SER 21 4.509 6.959 3.559 142 HB3 SER 21 HB1 SER 21 3.310 7.800 2.568 143 HG SER 21 HG SER 21 2.400 5.413 3.327 144 H TYR 22 H TYR 22 6.347 5.049 1.454 145 HA TYR 22 HA TYR 22 7.319 7.335 -0.000 146 HB2 TYR 22 HB2 TYR 22 8.717 5.844 1.525 147 HB3 TYR 22 HB1 TYR 22 8.659 4.652 0.252 148 HD1 TYR 22 HD1 TYR 22 9.824 8.086 0.979 149 HD2 TYR 22 HD2 TYR 22 10.092 4.756 -1.649 150 HE1 TYR 22 HE1 TYR 22 11.715 9.147 -0.163 151 HE2 TYR 22 HE2 TYR 22 11.980 5.806 -2.799 152 HH TYR 22 HH TYR 22 12.888 8.025 -3.146 153 H THR 23 H THR 23 6.893 3.925 -0.785 154 HA THR 23 HA THR 23 7.322 4.418 -3.606 155 HB THR 23 HB THR 23 6.952 1.928 -3.777 156 HG1 THR 23 HG1 THR 23 6.813 0.801 -1.818 157 HG21 THR 23 HG21 THR 23 9.203 2.917 -3.480 158 HG22 THR 23 HG22 THR 23 9.049 1.352 -2.682 159 HG23 THR 23 HG23 THR 23 8.980 2.836 -1.731 160 H LYS 24 H LYS 24 4.696 4.312 -1.489 161 HA LYS 24 HA LYS 24 2.477 4.359 -1.618 162 HB2 LYS 24 HB2 LYS 24 2.588 4.725 -4.594 163 HB3 LYS 24 HB1 LYS 24 1.361 5.202 -3.482 164 HG2 LYS 24 HG2 LYS 24 4.075 6.522 -3.575 165 HG3 LYS 24 HG1 LYS 24 2.582 7.191 -4.228 166 HD2 LYS 24 HD2 LYS 24 3.027 6.496 -1.318 167 HD3 LYS 24 HD1 LYS 24 3.204 8.109 -1.995 168 HE2 LYS 24 HE2 LYS 24 0.657 6.487 -2.077 169 HE3 LYS 24 HE1 LYS 24 1.021 7.698 -0.864 170 HZ1 LYS 24 HZ1 LYS 24 1.074 9.387 -2.523 171 HZ2 LYS 24 HZ2 LYS 24 -0.372 8.520 -2.691 172 HZ3 LYS 24 HZ3 LYS 24 0.879 8.276 -3.782 173 H ARG 25 H ARG 25 3.854 1.982 -1.763 174 HA ARG 25 HA ARG 25 1.970 0.384 -3.332 175 HB2 ARG 25 HB2 ARG 25 4.779 -0.331 -2.588 176 HB3 ARG 25 HB1 ARG 25 3.683 -1.362 -3.487 177 HG2 ARG 25 HG2 ARG 25 4.913 1.237 -4.385 178 HG3 ARG 25 HG1 ARG 25 5.281 -0.380 -4.990 179 HD2 ARG 25 HD2 ARG 25 2.874 -0.520 -5.750 180 HD3 ARG 25 HD1 ARG 25 2.727 1.148 -5.249 181 HE ARG 25 HE ARG 25 4.769 1.420 -6.808 182 HH11 ARG 25 HH11 ARG 25 1.909 -0.601 -7.433 183 HH12 ARG 25 HH12 ARG 25 1.871 -0.262 -9.098 184 HH21 ARG 25 HH21 ARG 25 4.687 1.880 -9.091 185 HH22 ARG 25 HH22 ARG 25 3.460 1.197 -10.054 186 H CYS 26 H CYS 26 1.637 -1.754 -2.369 187 HA CYS 26 HA CYS 26 1.078 -1.390 0.430 188 HB2 CYS 26 HB2 CYS 26 0.440 -3.673 -1.440 189 HB3 CYS 26 HB1 CYS 26 -0.157 -3.510 0.206 190 H ARG 27 H ARG 27 1.888 -2.605 2.031 191 HA ARG 27 HA ARG 27 4.585 -3.477 1.710 192 HB2 ARG 27 HB2 ARG 27 3.539 -2.427 3.795 193 HB3 ARG 27 HB1 ARG 27 2.792 -3.971 4.068 194 HG2 ARG 27 HG2 ARG 27 4.931 -5.091 4.231 195 HG3 ARG 27 HG1 ARG 27 5.757 -3.573 3.891 196 HD2 ARG 27 HD2 ARG 27 4.954 -2.633 5.947 197 HD3 ARG 27 HD1 ARG 27 3.997 -4.079 6.277 198 HE ARG 27 HE ARG 27 6.332 -5.202 6.095 199 HH11 ARG 27 HH11 ARG 27 5.733 -2.039 7.578 200 HH12 ARG 27 HH12 ARG 27 6.917 -2.217 8.774 201 HH21 ARG 27 HH21 ARG 27 7.908 -5.450 7.704 202 HH22 ARG 27 HH22 ARG 27 8.243 -4.212 8.841 203 H LYS 28 H LYS 28 5.415 -5.572 2.115 204 HA LYS 28 HA LYS 28 3.710 -7.855 1.390 205 HB2 LYS 28 HB2 LYS 28 6.636 -7.653 2.084 206 HB3 LYS 28 HB1 LYS 28 5.828 -9.069 1.475 207 HG2 LYS 28 HG2 LYS 28 5.339 -7.853 -0.625 208 HG3 LYS 28 HG1 LYS 28 6.289 -6.497 -0.014 209 HD2 LYS 28 HD2 LYS 28 8.244 -7.948 0.163 210 HD3 LYS 28 HD1 LYS 28 7.296 -9.306 -0.447 211 HE2 LYS 28 HE2 LYS 28 6.895 -8.050 -2.531 212 HE3 LYS 28 HE1 LYS 28 7.904 -6.748 -1.911 213 HZ1 LYS 28 HZ1 LYS 28 8.807 -9.526 -2.439 214 HZ2 LYS 28 HZ2 LYS 28 9.775 -8.289 -1.843 215 HZ3 LYS 28 HZ3 LYS 28 9.135 -8.187 -3.397 216 H TYR 29 H TYR 29 4.536 -9.778 2.707 217 HA TYR 29 HA TYR 29 3.424 -9.498 5.295 218 HB2 TYR 29 HB2 TYR 29 5.026 -11.627 3.958 219 HB3 TYR 29 HB1 TYR 29 4.597 -11.770 5.653 220 HD1 TYR 29 HD1 TYR 29 3.594 -12.458 2.316 221 HD2 TYR 29 HD2 TYR 29 1.983 -11.445 6.123 222 HE1 TYR 29 HE1 TYR 29 1.406 -13.275 1.596 223 HE2 TYR 29 HE2 TYR 29 -0.212 -12.269 5.425 224 HH TYR 29 HH TYR 29 -1.456 -12.634 3.284 225 H TYR 30 H TYR 30 6.609 -9.793 4.114 226 HA TYR 30 HA TYR 30 8.207 -9.346 6.343 227 HB2 TYR 30 HB2 TYR 30 8.608 -8.288 3.535 228 HB3 TYR 30 HB1 TYR 30 9.835 -8.255 4.791 229 HD1 TYR 30 HD1 TYR 30 8.098 -10.316 2.333 230 HD2 TYR 30 HD2 TYR 30 10.868 -10.341 5.557 231 HE1 TYR 30 HE1 TYR 30 8.880 -12.545 1.644 232 HE2 TYR 30 HE2 TYR 30 11.653 -12.545 4.883 233 HH TYR 30 HH TYR 30 10.805 -14.488 3.621 Start of MODEL 8 1 H1 CYS 1 HT1 CYS 1 -8.268 -7.881 -0.475 2 H2 CYS 1 HT2 CYS 1 -9.191 -6.915 -1.487 3 H3 CYS 1 HT3 CYS 1 -9.520 -6.947 0.177 4 HA CYS 1 HA CYS 1 -8.358 -4.947 -0.444 5 HB2 CYS 1 HB2 CYS 1 -6.329 -5.312 1.061 6 HB3 CYS 1 HB1 CYS 1 -7.905 -5.618 1.770 7 H LYS 2 H LYS 2 -6.136 -4.082 -0.954 8 HA LYS 2 HA LYS 2 -5.211 -5.329 -3.379 9 HB2 LYS 2 HB2 LYS 2 -4.126 -2.894 -1.917 10 HB3 LYS 2 HB1 LYS 2 -3.477 -3.525 -3.399 11 HG2 LYS 2 HG2 LYS 2 -5.502 -3.035 -4.593 12 HG3 LYS 2 HG1 LYS 2 -6.287 -2.505 -3.100 13 HD2 LYS 2 HD2 LYS 2 -4.778 -0.672 -2.864 14 HD3 LYS 2 HD1 LYS 2 -3.771 -1.259 -4.187 15 HE2 LYS 2 HE2 LYS 2 -5.182 0.661 -4.833 16 HE3 LYS 2 HE1 LYS 2 -5.534 -0.785 -5.774 17 HZ1 LYS 2 HZ1 LYS 2 -7.124 -0.046 -3.389 18 HZ2 LYS 2 HZ2 LYS 2 -7.539 -1.097 -4.637 19 HZ3 LYS 2 HZ3 LYS 2 -7.471 0.555 -4.922 20 HA PRO 3 HA PRO 3 -2.267 -7.900 -1.392 21 HB2 PRO 3 HB2 PRO 3 -0.818 -8.621 -3.573 22 HB3 PRO 3 HB1 PRO 3 -2.442 -9.249 -3.267 23 HG2 PRO 3 HG2 PRO 3 -1.586 -7.014 -5.068 24 HG3 PRO 3 HG1 PRO 3 -2.741 -8.323 -5.381 25 HD2 PRO 3 HD2 PRO 3 -3.523 -5.836 -4.688 26 HD3 PRO 3 HD1 PRO 3 -4.429 -7.286 -4.211 27 HA HYP 4 HA HYP 4 1.347 -5.462 -0.530 28 HB2 HYP 4 HB1 HYP 4 2.864 -6.846 0.495 29 HB3 HYP 4 HB2 HYP 4 2.813 -8.054 -0.804 30 HG HYP 4 HG HYP 4 1.505 -8.998 0.990 31 HD22 HYP 4 HD11 HYP 4 -0.883 -8.346 -0.002 32 HD23 HYP 4 HD12 HYP 4 0.280 -9.171 -1.073 33 HD1 HYP 4 HD2 HYP 4 1.290 -6.628 1.764 34 H GLY 5 H GLY 5 2.538 -4.254 -1.826 35 HA2 GLY 5 HA2 GLY 5 4.159 -3.895 -3.465 36 HA3 GLY 5 HA1 GLY 5 3.747 -5.443 -4.182 37 H SER 6 H SER 6 0.810 -4.504 -3.854 38 HA SER 6 HA SER 6 0.560 -3.494 -6.479 39 HB2 SER 6 HB2 SER 6 -1.312 -4.616 -5.704 40 HB3 SER 6 HB1 SER 6 -1.481 -3.594 -4.233 41 HG SER 6 HG SER 6 -2.265 -1.987 -5.627 42 H LYS 7 H LYS 7 -0.563 -1.707 -6.819 43 HA LYS 7 HA LYS 7 0.770 0.561 -5.482 44 HB2 LYS 7 HB2 LYS 7 0.359 2.024 -7.360 45 HB3 LYS 7 HB1 LYS 7 0.954 0.519 -8.008 46 HG2 LYS 7 HG2 LYS 7 -1.946 1.343 -7.973 47 HG3 LYS 7 HG1 LYS 7 -0.856 1.592 -9.332 48 HD2 LYS 7 HD2 LYS 7 -0.521 -0.875 -9.404 49 HD3 LYS 7 HD1 LYS 7 -1.772 -1.032 -8.164 50 HE2 LYS 7 HE2 LYS 7 -2.113 0.204 -10.892 51 HE3 LYS 7 HE1 LYS 7 -2.666 -1.397 -10.416 52 HZ1 LYS 7 HZ1 LYS 7 -3.646 1.195 -9.311 53 HZ2 LYS 7 HZ2 LYS 7 -4.180 -0.324 -8.815 54 HZ3 LYS 7 HZ3 LYS 7 -4.436 0.184 -10.398 55 H CYS 8 H CYS 8 -0.351 2.157 -4.445 56 HA CYS 8 HA CYS 8 -3.256 1.813 -4.339 57 HB2 CYS 8 HB2 CYS 8 -3.031 1.986 -1.840 58 HB3 CYS 8 HB1 CYS 8 -2.674 0.441 -2.593 59 H SER 9 H SER 9 -4.279 3.455 -2.970 60 HA SER 9 HA SER 9 -3.051 5.978 -3.323 61 HB2 SER 9 HB2 SER 9 -5.731 5.132 -2.305 62 HB3 SER 9 HB1 SER 9 -5.176 6.744 -2.769 63 HG SER 9 HG SER 9 -6.324 4.995 -4.314 64 HA HYP 10 HA HYP 10 -1.475 5.346 0.755 65 HB2 HYP 10 HB1 HYP 10 0.281 6.730 0.494 66 HB3 HYP 10 HB2 HYP 10 -0.728 8.139 0.862 67 HG HYP 10 HG HYP 10 -0.183 8.468 -1.502 68 HD22 HYP 10 HD11 HYP 10 -2.347 7.562 -2.555 69 HD23 HYP 10 HD12 HYP 10 -2.609 8.419 -1.009 70 HD1 HYP 10 HD2 HYP 10 -0.946 5.867 -1.949 71 H SER 11 H SER 11 -4.267 7.116 0.375 72 HA SER 11 HA SER 11 -4.445 7.509 3.266 73 HB2 SER 11 HB2 SER 11 -6.177 9.279 2.582 74 HB3 SER 11 HB1 SER 11 -4.473 9.669 2.326 75 HG SER 11 HG SER 11 -6.462 9.433 0.514 76 H MET 12 H MET 12 -5.279 5.372 1.038 77 HA MET 12 HA MET 12 -8.075 5.252 1.852 78 HB2 MET 12 HB2 MET 12 -6.726 3.964 -0.510 79 HB3 MET 12 HB1 MET 12 -8.385 3.611 -0.041 80 HG2 MET 12 HG2 MET 12 -8.994 5.944 -0.352 81 HG3 MET 12 HG1 MET 12 -7.330 6.338 -0.768 82 HE1 MET 12 HE1 MET 12 -8.185 7.544 -2.965 83 HE2 MET 12 HE2 MET 12 -9.853 7.135 -2.558 84 HE3 MET 12 3HE MET 12 -9.225 6.777 -4.165 85 H ARG 13 H ARG 13 -5.152 3.682 2.245 86 HA ARG 13 HA ARG 13 -4.409 1.870 3.414 87 HB2 ARG 13 HB2 ARG 13 -5.353 3.477 5.016 88 HB3 ARG 13 HB1 ARG 13 -6.864 2.606 4.945 89 HG2 ARG 13 HG2 ARG 13 -5.605 0.621 5.897 90 HG3 ARG 13 HG1 ARG 13 -4.215 1.691 6.090 91 HD2 ARG 13 HD2 ARG 13 -5.398 1.574 8.197 92 HD3 ARG 13 HD1 ARG 13 -5.621 3.176 7.502 93 HE ARG 13 HE ARG 13 -7.785 2.112 6.597 94 HH11 ARG 13 HH11 ARG 13 -6.434 1.620 9.835 95 HH12 ARG 13 HH12 ARG 13 -7.903 1.140 10.536 96 HH21 ARG 13 HH21 ARG 13 -9.787 1.529 7.530 97 HH22 ARG 13 HH22 ARG 13 -9.917 1.101 9.166 98 H ASP 14 H ASP 14 -6.149 1.124 1.209 99 HA ASP 14 HA ASP 14 -7.843 -0.977 2.295 100 HB2 ASP 14 HB2 ASP 14 -8.823 -1.129 0.140 101 HB3 ASP 14 HB1 ASP 14 -8.732 0.576 0.577 102 H CYS 15 H CYS 15 -4.806 -0.876 1.799 103 HA CYS 15 HA CYS 15 -4.387 -3.301 0.282 104 HB2 CYS 15 HB2 CYS 15 -2.469 -1.943 2.177 105 HB3 CYS 15 HB1 CYS 15 -2.095 -3.199 1.045 106 H CYS 16 H CYS 16 -3.734 -5.253 1.165 107 HA CYS 16 HA CYS 16 -5.151 -6.188 3.348 108 HB2 CYS 16 HB2 CYS 16 -2.654 -7.278 2.099 109 HB3 CYS 16 HB1 CYS 16 -3.773 -8.169 3.120 110 H THR 17 H THR 17 -1.979 -4.812 3.216 111 HA THR 17 HA THR 17 -1.600 -5.291 6.075 112 HB THR 17 HB THR 17 0.733 -4.390 5.488 113 HG1 THR 17 HG1 THR 17 1.168 -4.785 3.161 114 HG21 THR 17 HG21 THR 17 1.470 -6.579 4.600 115 HG22 THR 17 HG22 THR 17 -0.203 -6.977 4.206 116 HG23 THR 17 HG23 THR 17 0.287 -6.790 5.890 117 H THR 18 H THR 18 -0.451 -2.786 3.960 118 HA THR 18 HA THR 18 -2.250 -0.768 4.641 119 HB THR 18 HB THR 18 -0.958 -0.875 6.795 120 HG1 THR 18 HG1 THR 18 -1.290 1.189 6.895 121 HG21 THR 18 HG21 THR 18 1.373 -0.034 6.848 122 HG22 THR 18 HG22 THR 18 1.381 0.012 5.086 123 HG23 THR 18 HG23 THR 18 1.242 -1.532 5.925 124 H CYS 19 H CYS 19 -1.199 1.370 3.769 125 HA CYS 19 HA CYS 19 0.158 0.618 1.275 126 HB2 CYS 19 HB2 CYS 19 -2.074 1.507 0.950 127 HB3 CYS 19 HB1 CYS 19 -1.681 2.959 1.871 128 H ILE 20 H ILE 20 2.159 1.202 1.173 129 HA ILE 20 HA ILE 20 3.424 2.857 3.116 130 HB ILE 20 HB ILE 20 4.515 1.892 0.455 131 HG12 ILE 20 HG12 ILE 20 4.509 0.524 3.151 132 HG13 ILE 20 HG11 ILE 20 3.705 -0.012 1.699 133 HG21 ILE 20 HG21 ILE 20 6.701 2.123 1.539 134 HG22 ILE 20 HG22 ILE 20 5.905 2.703 3.002 135 HG23 ILE 20 HG23 ILE 20 5.823 3.656 1.521 136 HD11 ILE 20 HD11 ILE 20 6.697 0.200 1.983 137 HD12 ILE 20 HD12 ILE 20 5.819 -0.423 0.584 138 HD13 ILE 20 HD13 ILE 20 5.770 -1.290 2.119 139 H SER 21 H SER 21 3.153 4.990 3.036 140 HA SER 21 HA SER 21 2.190 6.354 0.776 141 HB2 SER 21 HB2 SER 21 1.739 7.038 3.113 142 HB3 SER 21 HB1 SER 21 3.430 7.498 3.290 143 HG SER 21 HG SER 21 3.046 9.265 2.307 144 H TYR 22 H TYR 22 5.359 5.535 1.721 145 HA TYR 22 HA TYR 22 6.779 7.569 0.295 146 HB2 TYR 22 HB2 TYR 22 7.681 6.211 2.177 147 HB3 TYR 22 HB1 TYR 22 7.625 4.813 1.147 148 HD1 TYR 22 HD1 TYR 22 9.107 8.231 1.147 149 HD2 TYR 22 HD2 TYR 22 9.536 4.154 0.030 150 HE1 TYR 22 HE1 TYR 22 11.365 8.696 0.360 151 HE2 TYR 22 HE2 TYR 22 11.810 4.605 -0.772 152 HH TYR 22 HH TYR 22 13.404 7.588 -0.095 153 H THR 23 H THR 23 6.237 4.153 -0.266 154 HA THR 23 HA THR 23 7.328 4.257 -2.940 155 HB THR 23 HB THR 23 6.062 1.865 -1.633 156 HG1 THR 23 HG1 THR 23 8.652 1.950 -1.072 157 HG21 THR 23 HG21 THR 23 7.877 0.693 -2.829 158 HG22 THR 23 HG22 THR 23 8.483 2.238 -3.422 159 HG23 THR 23 HG23 THR 23 6.910 1.651 -3.950 160 H LYS 24 H LYS 24 4.240 4.481 -1.511 161 HA LYS 24 HA LYS 24 2.129 4.633 -2.187 162 HB2 LYS 24 HB2 LYS 24 2.743 4.420 -5.104 163 HB3 LYS 24 HB1 LYS 24 1.550 5.364 -4.286 164 HG2 LYS 24 HG2 LYS 24 4.479 6.066 -4.280 165 HG3 LYS 24 HG1 LYS 24 3.253 6.817 -5.295 166 HD2 LYS 24 HD2 LYS 24 2.119 7.677 -3.333 167 HD3 LYS 24 HD1 LYS 24 3.256 6.829 -2.281 168 HE2 LYS 24 HE2 LYS 24 5.088 8.116 -3.150 169 HE3 LYS 24 HE1 LYS 24 4.028 8.950 -4.278 170 HZ1 LYS 24 HZ1 LYS 24 3.921 9.058 -1.326 171 HZ2 LYS 24 HZ2 LYS 24 2.840 9.850 -2.327 172 HZ3 LYS 24 HZ3 LYS 24 4.484 10.289 -2.334 173 H ARG 25 H ARG 25 3.444 2.165 -1.808 174 HA ARG 25 HA ARG 25 1.859 0.365 -3.500 175 HB2 ARG 25 HB2 ARG 25 4.654 -0.152 -2.496 176 HB3 ARG 25 HB1 ARG 25 3.662 -1.295 -3.369 177 HG2 ARG 25 HG2 ARG 25 4.787 1.284 -4.453 178 HG3 ARG 25 HG1 ARG 25 5.308 -0.353 -4.866 179 HD2 ARG 25 HD2 ARG 25 2.922 -0.747 -5.663 180 HD3 ARG 25 HD1 ARG 25 2.700 0.974 -5.417 181 HE ARG 25 HE ARG 25 4.364 1.397 -7.093 182 HH11 ARG 25 HH11 ARG 25 3.174 -1.953 -6.987 183 HH12 ARG 25 HH12 ARG 25 3.301 -2.166 -8.661 184 HH21 ARG 25 HH21 ARG 25 4.559 1.048 -9.378 185 HH22 ARG 25 HH22 ARG 25 4.120 -0.443 -10.063 186 H CYS 26 H CYS 26 1.557 -1.758 -2.442 187 HA CYS 26 HA CYS 26 0.723 -1.224 0.269 188 HB2 CYS 26 HB2 CYS 26 0.405 -3.690 -1.444 189 HB3 CYS 26 HB1 CYS 26 -0.328 -3.467 0.136 190 H ARG 27 H ARG 27 1.565 -2.100 2.043 191 HA ARG 27 HA ARG 27 4.327 -2.679 1.969 192 HB2 ARG 27 HB2 ARG 27 2.964 -1.646 3.896 193 HB3 ARG 27 HB1 ARG 27 2.545 -3.293 4.295 194 HG2 ARG 27 HG2 ARG 27 4.875 -3.907 4.556 195 HG3 ARG 27 HG1 ARG 27 5.360 -2.270 4.129 196 HD2 ARG 27 HD2 ARG 27 4.217 -1.427 6.110 197 HD3 ARG 27 HD1 ARG 27 3.743 -3.080 6.516 198 HE ARG 27 HE ARG 27 6.540 -2.856 6.135 199 HH11 ARG 27 HH11 ARG 27 3.995 -2.383 8.539 200 HH12 ARG 27 HH12 ARG 27 5.050 -2.440 9.872 201 HH21 ARG 27 HH21 ARG 27 7.973 -2.957 7.927 202 HH22 ARG 27 HH22 ARG 27 7.392 -2.785 9.520 203 H LYS 28 H LYS 28 5.442 -4.543 2.587 204 HA LYS 28 HA LYS 28 4.455 -7.051 1.577 205 HB2 LYS 28 HB2 LYS 28 6.835 -6.540 3.323 206 HB3 LYS 28 HB1 LYS 28 6.560 -7.870 2.241 207 HG2 LYS 28 HG2 LYS 28 6.835 -6.495 0.308 208 HG3 LYS 28 HG1 LYS 28 6.957 -5.041 1.304 209 HD2 LYS 28 HD2 LYS 28 8.942 -6.002 2.402 210 HD3 LYS 28 HD1 LYS 28 8.829 -7.395 1.334 211 HE2 LYS 28 HE2 LYS 28 9.171 -5.922 -0.596 212 HE3 LYS 28 HE1 LYS 28 9.292 -4.536 0.488 213 HZ1 LYS 28 HZ1 LYS 28 11.244 -5.572 1.520 214 HZ2 LYS 28 HZ2 LYS 28 11.494 -5.379 -0.128 215 HZ3 LYS 28 HZ3 LYS 28 11.102 -6.885 0.486 216 H TYR 29 H TYR 29 4.938 -8.947 3.051 217 HA TYR 29 HA TYR 29 3.470 -8.619 5.553 218 HB2 TYR 29 HB2 TYR 29 4.428 -11.047 4.025 219 HB3 TYR 29 HB1 TYR 29 3.754 -11.152 5.636 220 HD1 TYR 29 HD1 TYR 29 3.068 -11.082 2.130 221 HD2 TYR 29 HD2 TYR 29 1.323 -10.352 5.939 222 HE1 TYR 29 HE1 TYR 29 0.830 -11.285 1.145 223 HE2 TYR 29 HE2 TYR 29 -0.912 -10.552 4.968 224 HH TYR 29 HH TYR 29 -2.031 -10.428 2.853 225 H TYR 30 H TYR 30 6.382 -10.163 4.309 226 HA TYR 30 HA TYR 30 7.797 -9.328 6.657 227 HB2 TYR 30 HB2 TYR 30 8.044 -11.991 5.235 228 HB3 TYR 30 HB1 TYR 30 9.015 -11.469 6.605 229 HD1 TYR 30 HD1 TYR 30 7.794 -11.017 8.805 230 HD2 TYR 30 HD2 TYR 30 6.009 -13.099 5.571 231 HE1 TYR 30 HE1 TYR 30 6.125 -11.950 10.343 232 HE2 TYR 30 HE2 TYR 30 4.331 -14.038 7.078 233 HH TYR 30 HH TYR 30 3.894 -12.899 10.284 Start of MODEL 9 1 H1 CYS 1 HT1 CYS 1 -8.335 -7.826 -0.253 2 H2 CYS 1 HT2 CYS 1 -9.160 -6.679 -1.155 3 H3 CYS 1 HT3 CYS 1 -9.475 -6.813 0.490 4 HA CYS 1 HA CYS 1 -8.084 -4.925 0.064 5 HB2 CYS 1 HB2 CYS 1 -6.071 -5.619 1.386 6 HB3 CYS 1 HB1 CYS 1 -7.614 -5.917 2.154 7 H LYS 2 H LYS 2 -6.050 -4.151 -0.605 8 HA LYS 2 HA LYS 2 -5.259 -5.273 -3.133 9 HB2 LYS 2 HB2 LYS 2 -4.123 -2.921 -1.600 10 HB3 LYS 2 HB1 LYS 2 -3.465 -3.495 -3.107 11 HG2 LYS 2 HG2 LYS 2 -5.586 -3.002 -4.224 12 HG3 LYS 2 HG1 LYS 2 -6.229 -2.389 -2.694 13 HD2 LYS 2 HD2 LYS 2 -4.548 -0.673 -2.602 14 HD3 LYS 2 HD1 LYS 2 -3.724 -1.344 -4.005 15 HE2 LYS 2 HE2 LYS 2 -4.990 0.630 -4.612 16 HE3 LYS 2 HE1 LYS 2 -5.665 -0.799 -5.390 17 HZ1 LYS 2 HZ1 LYS 2 -7.359 0.686 -4.464 18 HZ2 LYS 2 HZ2 LYS 2 -6.765 0.383 -2.893 19 HZ3 LYS 2 HZ3 LYS 2 -7.410 -0.846 -3.792 20 HA PRO 3 HA PRO 3 -2.219 -8.009 -1.509 21 HB2 PRO 3 HB2 PRO 3 -0.935 -8.568 -3.858 22 HB3 PRO 3 HB1 PRO 3 -2.500 -9.262 -3.428 23 HG2 PRO 3 HG2 PRO 3 -1.884 -6.955 -5.225 24 HG3 PRO 3 HG1 PRO 3 -3.074 -8.250 -5.435 25 HD2 PRO 3 HD2 PRO 3 -3.728 -5.764 -4.581 26 HD3 PRO 3 HD1 PRO 3 -4.617 -7.215 -4.084 27 HA HYP 4 HA HYP 4 1.419 -5.595 -0.658 28 HB2 HYP 4 HB1 HYP 4 2.266 -7.271 0.654 29 HB3 HYP 4 HB2 HYP 4 3.325 -7.582 -0.727 30 HG HYP 4 HG HYP 4 2.054 -9.347 -1.462 31 HD22 HYP 4 HD11 HYP 4 -0.350 -8.462 0.117 32 HD23 HYP 4 HD12 HYP 4 -0.300 -9.202 -1.496 33 HD1 HYP 4 HD2 HYP 4 2.537 -10.102 0.390 34 H GLY 5 H GLY 5 2.379 -4.323 -2.033 35 HA2 GLY 5 HA2 GLY 5 4.039 -3.951 -3.706 36 HA3 GLY 5 HA1 GLY 5 3.556 -5.465 -4.445 37 H SER 6 H SER 6 0.668 -4.449 -3.901 38 HA SER 6 HA SER 6 0.266 -3.364 -6.462 39 HB2 SER 6 HB2 SER 6 -1.567 -4.408 -5.609 40 HB3 SER 6 HB1 SER 6 -1.559 -3.470 -4.066 41 HG SER 6 HG SER 6 -2.331 -1.713 -5.344 42 H LYS 7 H LYS 7 -0.809 -1.546 -6.719 43 HA LYS 7 HA LYS 7 0.733 0.730 -5.629 44 HB2 LYS 7 HB2 LYS 7 0.681 0.551 -8.112 45 HB3 LYS 7 HB1 LYS 7 -1.069 0.637 -8.077 46 HG2 LYS 7 HG2 LYS 7 -1.004 2.933 -7.352 47 HG3 LYS 7 HG1 LYS 7 0.740 2.852 -7.136 48 HD2 LYS 7 HD2 LYS 7 0.181 4.018 -9.207 49 HD3 LYS 7 HD1 LYS 7 1.042 2.519 -9.543 50 HE2 LYS 7 HE2 LYS 7 -0.763 2.801 -11.128 51 HE3 LYS 7 HE1 LYS 7 -1.130 1.440 -10.077 52 HZ1 LYS 7 HZ1 LYS 7 -3.061 2.811 -10.416 53 HZ2 LYS 7 HZ2 LYS 7 -2.277 4.187 -9.866 54 HZ3 LYS 7 HZ3 LYS 7 -2.601 2.911 -8.807 55 H CYS 8 H CYS 8 -0.273 2.366 -4.430 56 HA CYS 8 HA CYS 8 -3.162 2.270 -4.232 57 HB2 CYS 8 HB2 CYS 8 -2.937 2.166 -1.761 58 HB3 CYS 8 HB1 CYS 8 -2.697 0.664 -2.649 59 H SER 9 H SER 9 -3.958 3.876 -2.646 60 HA SER 9 HA SER 9 -2.377 6.253 -2.753 61 HB2 SER 9 HB2 SER 9 -4.580 7.190 -2.158 62 HB3 SER 9 HB1 SER 9 -4.492 6.488 -3.792 63 HG SER 9 HG SER 9 -5.858 4.966 -3.168 64 HA HYP 10 HA HYP 10 -1.842 5.673 1.607 65 HB2 HYP 10 HB1 HYP 10 -0.173 7.191 1.790 66 HB3 HYP 10 HB2 HYP 10 -1.367 8.461 2.075 67 HG HYP 10 HG HYP 10 -0.474 9.209 -0.006 68 HD22 HYP 10 HD11 HYP 10 -1.969 7.956 -1.771 69 HD23 HYP 10 HD12 HYP 10 -2.828 8.706 -0.397 70 HD1 HYP 10 HD2 HYP 10 -0.437 6.739 -1.107 71 H SER 11 H SER 11 -4.440 7.304 0.353 72 HA SER 11 HA SER 11 -5.556 8.277 2.810 73 HB2 SER 11 HB2 SER 11 -7.400 8.867 1.176 74 HB3 SER 11 HB1 SER 11 -5.844 9.660 0.909 75 HG SER 11 HG SER 11 -7.060 8.534 -0.925 76 H MET 12 H MET 12 -6.242 5.904 0.281 77 HA MET 12 HA MET 12 -8.458 4.792 1.678 78 HB2 MET 12 HB2 MET 12 -6.967 3.769 -0.729 79 HB3 MET 12 HB1 MET 12 -8.429 3.036 -0.086 80 HG2 MET 12 HG2 MET 12 -8.192 5.849 -1.121 81 HG3 MET 12 HG1 MET 12 -8.886 4.493 -2.002 82 HE1 MET 12 HE1 MET 12 -11.993 6.720 -1.107 83 HE2 MET 12 HE2 MET 12 -11.074 5.960 -2.408 84 HE3 MET 12 3HE MET 12 -10.367 7.286 -1.483 85 H ARG 13 H ARG 13 -5.286 3.713 1.007 86 HA ARG 13 HA ARG 13 -3.854 2.196 2.043 87 HB2 ARG 13 HB2 ARG 13 -4.082 3.934 3.679 88 HB3 ARG 13 HB1 ARG 13 -5.566 3.246 4.274 89 HG2 ARG 13 HG2 ARG 13 -4.281 1.377 5.239 90 HG3 ARG 13 HG1 ARG 13 -2.791 2.077 4.590 91 HD2 ARG 13 HD2 ARG 13 -3.131 2.645 6.976 92 HD3 ARG 13 HD1 ARG 13 -3.092 4.063 5.929 93 HE ARG 13 HE ARG 13 -5.735 3.024 6.470 94 HH11 ARG 13 HH11 ARG 13 -3.276 5.362 7.497 95 HH12 ARG 13 HH12 ARG 13 -4.376 6.350 8.331 96 HH21 ARG 13 HH21 ARG 13 -7.217 4.372 7.616 97 HH22 ARG 13 HH22 ARG 13 -6.649 5.768 8.434 98 H ASP 14 H ASP 14 -6.189 1.084 0.810 99 HA ASP 14 HA ASP 14 -7.419 -0.881 2.530 100 HB2 ASP 14 HB2 ASP 14 -8.738 -1.453 0.604 101 HB3 ASP 14 HB1 ASP 14 -8.744 0.298 0.836 102 H CYS 15 H CYS 15 -4.598 -1.070 1.914 103 HA CYS 15 HA CYS 15 -4.239 -3.439 0.307 104 HB2 CYS 15 HB2 CYS 15 -2.344 -2.185 2.296 105 HB3 CYS 15 HB1 CYS 15 -1.939 -3.387 1.098 106 H CYS 16 H CYS 16 -3.458 -5.445 1.193 107 HA CYS 16 HA CYS 16 -4.970 -6.373 3.349 108 HB2 CYS 16 HB2 CYS 16 -2.494 -7.517 2.089 109 HB3 CYS 16 HB1 CYS 16 -3.587 -8.394 3.147 110 H THR 17 H THR 17 -1.772 -5.056 3.195 111 HA THR 17 HA THR 17 -1.406 -5.433 6.072 112 HB THR 17 HB THR 17 0.910 -4.488 5.492 113 HG1 THR 17 HG1 THR 17 1.316 -4.944 3.124 114 HG21 THR 17 HG21 THR 17 0.528 -6.896 5.890 115 HG22 THR 17 HG22 THR 17 1.711 -6.645 4.608 116 HG23 THR 17 HG23 THR 17 0.053 -7.093 4.203 117 H THR 18 H THR 18 -0.228 -2.908 3.977 118 HA THR 18 HA THR 18 -1.950 -0.840 4.818 119 HB THR 18 HB THR 18 -0.507 -1.070 6.868 120 HG1 THR 18 HG1 THR 18 0.487 1.283 6.382 121 HG21 THR 18 HG21 THR 18 1.750 -0.332 4.993 122 HG22 THR 18 HG22 THR 18 1.541 -1.887 5.800 123 HG23 THR 18 HG23 THR 18 1.874 -0.441 6.748 124 H CYS 19 H CYS 19 -1.010 1.223 3.853 125 HA CYS 19 HA CYS 19 0.332 0.534 1.336 126 HB2 CYS 19 HB2 CYS 19 -1.932 1.373 1.028 127 HB3 CYS 19 HB1 CYS 19 -1.567 2.809 1.983 128 H ILE 20 H ILE 20 2.302 1.281 1.153 129 HA ILE 20 HA ILE 20 3.396 3.054 3.162 130 HB ILE 20 HB ILE 20 4.779 2.106 0.642 131 HG12 ILE 20 HG12 ILE 20 4.497 0.515 3.239 132 HG13 ILE 20 HG11 ILE 20 3.830 0.114 1.680 133 HG21 ILE 20 HG21 ILE 20 6.799 2.301 2.017 134 HG22 ILE 20 HG22 ILE 20 5.812 2.781 3.398 135 HG23 ILE 20 HG23 ILE 20 5.896 3.819 1.973 136 HD11 ILE 20 HD11 ILE 20 6.026 -0.209 0.746 137 HD12 ILE 20 HD12 ILE 20 5.825 -1.193 2.198 138 HD13 ILE 20 HD13 ILE 20 6.769 0.291 2.263 139 H SER 21 H SER 21 3.117 5.219 2.860 140 HA SER 21 HA SER 21 2.085 6.326 0.479 141 HB2 SER 21 HB2 SER 21 1.657 7.340 2.672 142 HB3 SER 21 HB1 SER 21 3.372 7.691 2.849 143 HG SER 21 HG SER 21 2.604 8.675 0.535 144 H TYR 22 H TYR 22 5.282 5.866 1.651 145 HA TYR 22 HA TYR 22 6.758 7.687 0.095 146 HB2 TYR 22 HB2 TYR 22 7.620 6.411 2.020 147 HB3 TYR 22 HB1 TYR 22 7.449 4.944 1.115 148 HD1 TYR 22 HD1 TYR 22 9.314 4.019 0.193 149 HD2 TYR 22 HD2 TYR 22 9.201 8.237 0.704 150 HE1 TYR 22 HE1 TYR 22 11.611 4.163 -0.612 151 HE2 TYR 22 HE2 TYR 22 11.512 8.397 -0.105 152 HH TYR 22 HH TYR 22 13.124 5.731 -1.562 153 H THR 23 H THR 23 6.157 4.286 -0.374 154 HA THR 23 HA THR 23 7.218 4.261 -3.058 155 HB THR 23 HB THR 23 5.812 1.967 -1.728 156 HG1 THR 23 HG1 THR 23 8.028 1.633 -0.781 157 HG21 THR 23 HG21 THR 23 8.340 2.169 -3.393 158 HG22 THR 23 HG22 THR 23 6.755 1.732 -4.017 159 HG23 THR 23 HG23 THR 23 7.557 0.678 -2.859 160 H LYS 24 H LYS 24 4.111 4.591 -1.571 161 HA LYS 24 HA LYS 24 1.991 4.475 -2.123 162 HB2 LYS 24 HB2 LYS 24 2.748 4.758 -5.038 163 HB3 LYS 24 HB1 LYS 24 1.217 5.015 -4.303 164 HG2 LYS 24 HG2 LYS 24 2.045 7.203 -4.755 165 HG3 LYS 24 HG1 LYS 24 2.090 6.955 -3.012 166 HD2 LYS 24 HD2 LYS 24 4.507 6.456 -3.195 167 HD3 LYS 24 HD1 LYS 24 4.426 6.804 -4.923 168 HE2 LYS 24 HE2 LYS 24 3.710 9.100 -4.416 169 HE3 LYS 24 HE1 LYS 24 3.793 8.727 -2.693 170 HZ1 LYS 24 HZ1 LYS 24 6.188 8.298 -2.977 171 HZ2 LYS 24 HZ2 LYS 24 5.762 9.876 -3.395 172 HZ3 LYS 24 HZ3 LYS 24 6.054 8.765 -4.596 173 H ARG 25 H ARG 25 3.308 2.150 -1.765 174 HA ARG 25 HA ARG 25 1.783 0.358 -3.481 175 HB2 ARG 25 HB2 ARG 25 4.633 -0.158 -2.642 176 HB3 ARG 25 HB1 ARG 25 3.612 -1.295 -3.493 177 HG2 ARG 25 HG2 ARG 25 4.744 1.294 -4.546 178 HG3 ARG 25 HG1 ARG 25 5.185 -0.338 -5.043 179 HD2 ARG 25 HD2 ARG 25 2.819 -0.622 -5.854 180 HD3 ARG 25 HD1 ARG 25 2.582 1.071 -5.419 181 HE ARG 25 HE ARG 25 4.221 0.062 -7.595 182 HH11 ARG 25 HH11 ARG 25 2.778 2.827 -5.898 183 HH12 ARG 25 HH12 ARG 25 3.176 3.948 -7.115 184 HH21 ARG 25 HH21 ARG 25 4.672 1.571 -9.271 185 HH22 ARG 25 HH22 ARG 25 4.272 3.217 -9.109 186 H CYS 26 H CYS 26 1.569 -1.785 -2.466 187 HA CYS 26 HA CYS 26 0.865 -1.339 0.299 188 HB2 CYS 26 HB2 CYS 26 0.473 -3.745 -1.478 189 HB3 CYS 26 HB1 CYS 26 -0.194 -3.563 0.142 190 H ARG 27 H ARG 27 1.824 -2.188 1.997 191 HA ARG 27 HA ARG 27 4.567 -2.882 1.868 192 HB2 ARG 27 HB2 ARG 27 3.225 -1.852 3.826 193 HB3 ARG 27 HB1 ARG 27 2.723 -3.478 4.145 194 HG2 ARG 27 HG2 ARG 27 5.067 -4.205 4.394 195 HG3 ARG 27 HG1 ARG 27 5.577 -2.523 4.218 196 HD2 ARG 27 HD2 ARG 27 4.270 -1.934 6.201 197 HD3 ARG 27 HD1 ARG 27 3.753 -3.611 6.355 198 HE ARG 27 HE ARG 27 6.603 -3.276 6.323 199 HH11 ARG 27 HH11 ARG 27 3.742 -3.394 8.396 200 HH12 ARG 27 HH12 ARG 27 4.609 -3.700 9.828 201 HH21 ARG 27 HH21 ARG 27 7.789 -3.724 8.258 202 HH22 ARG 27 HH22 ARG 27 6.987 -3.899 9.744 203 H LYS 28 H LYS 28 5.556 -4.855 2.323 204 HA LYS 28 HA LYS 28 3.960 -7.200 1.841 205 HB2 LYS 28 HB2 LYS 28 6.170 -8.372 2.465 206 HB3 LYS 28 HB1 LYS 28 5.973 -7.722 0.877 207 HG2 LYS 28 HG2 LYS 28 7.134 -5.602 2.149 208 HG3 LYS 28 HG1 LYS 28 7.715 -6.911 3.170 209 HD2 LYS 28 HD2 LYS 28 8.067 -6.808 0.172 210 HD3 LYS 28 HD1 LYS 28 9.280 -6.271 1.328 211 HE2 LYS 28 HE2 LYS 28 8.166 -9.073 1.201 212 HE3 LYS 28 HE1 LYS 28 9.640 -8.562 0.386 213 HZ1 LYS 28 HZ1 LYS 28 9.178 -8.628 3.340 214 HZ2 LYS 28 HZ2 LYS 28 10.507 -7.927 2.621 215 HZ3 LYS 28 HZ3 LYS 28 10.236 -9.571 2.449 216 H TYR 29 H TYR 29 4.252 -9.043 3.201 217 HA TYR 29 HA TYR 29 3.260 -8.298 5.822 218 HB2 TYR 29 HB2 TYR 29 3.652 -10.914 4.432 219 HB3 TYR 29 HB1 TYR 29 3.254 -10.852 6.135 220 HD1 TYR 29 HD1 TYR 29 1.047 -9.930 6.826 221 HD2 TYR 29 HD2 TYR 29 2.022 -10.528 2.736 222 HE1 TYR 29 HE1 TYR 29 -1.323 -9.838 6.266 223 HE2 TYR 29 HE2 TYR 29 -0.335 -10.434 2.151 224 HH TYR 29 HH TYR 29 -2.468 -10.763 3.165 225 H TYR 30 H TYR 30 5.865 -10.188 4.563 226 HA TYR 30 HA TYR 30 7.417 -9.614 6.908 227 HB2 TYR 30 HB2 TYR 30 7.213 -12.273 5.467 228 HB3 TYR 30 HB1 TYR 30 8.382 -11.903 6.723 229 HD1 TYR 30 HD1 TYR 30 7.530 -11.447 9.065 230 HD2 TYR 30 HD2 TYR 30 5.021 -13.017 6.011 231 HE1 TYR 30 HE1 TYR 30 5.952 -12.224 10.771 232 HE2 TYR 30 HE2 TYR 30 3.431 -13.795 7.706 233 HH TYR 30 HH TYR 30 3.471 -14.410 10.115 Start of MODEL 10 1 H1 CYS 1 HT1 CYS 1 -9.705 -5.804 0.158 2 H2 CYS 1 HT2 CYS 1 -8.737 -7.001 -0.550 3 H3 CYS 1 HT3 CYS 1 -9.379 -5.774 -1.512 4 HA CYS 1 HA CYS 1 -8.067 -4.162 -0.371 5 HB2 CYS 1 HB2 CYS 1 -6.208 -5.067 1.027 6 HB3 CYS 1 HB1 CYS 1 -7.792 -5.116 1.772 7 H LYS 2 H LYS 2 -5.950 -3.733 -1.034 8 HA LYS 2 HA LYS 2 -5.366 -5.074 -3.514 9 HB2 LYS 2 HB2 LYS 2 -3.846 -2.821 -2.175 10 HB3 LYS 2 HB1 LYS 2 -3.691 -3.330 -3.850 11 HG2 LYS 2 HG2 LYS 2 -6.138 -2.095 -2.582 12 HG3 LYS 2 HG1 LYS 2 -4.983 -1.308 -3.661 13 HD2 LYS 2 HD2 LYS 2 -5.661 -2.603 -5.508 14 HD3 LYS 2 HD1 LYS 2 -6.538 -3.751 -4.496 15 HE2 LYS 2 HE2 LYS 2 -8.065 -2.225 -5.712 16 HE3 LYS 2 HE1 LYS 2 -8.201 -2.074 -3.970 17 HZ1 LYS 2 HZ1 LYS 2 -6.658 -0.220 -5.708 18 HZ2 LYS 2 HZ2 LYS 2 -6.942 -0.077 -4.030 19 HZ3 LYS 2 HZ3 LYS 2 -8.223 0.033 -5.105 20 HA PRO 3 HA PRO 3 -2.612 -7.992 -1.778 21 HB2 PRO 3 HB2 PRO 3 -1.195 -8.611 -4.049 22 HB3 PRO 3 HB1 PRO 3 -2.821 -9.218 -3.728 23 HG2 PRO 3 HG2 PRO 3 -1.961 -6.915 -5.429 24 HG3 PRO 3 HG1 PRO 3 -3.186 -8.152 -5.756 25 HD2 PRO 3 HD2 PRO 3 -3.834 -5.685 -4.924 26 HD3 PRO 3 HD1 PRO 3 -4.769 -7.115 -4.438 27 HA HYP 4 HA HYP 4 1.123 -5.844 -0.681 28 HB2 HYP 4 HB1 HYP 4 2.304 -7.407 0.522 29 HB3 HYP 4 HB2 HYP 4 2.668 -8.336 -0.936 30 HG HYP 4 HG HYP 4 1.177 -9.782 0.194 31 HD22 HYP 4 HD11 HYP 4 -1.118 -9.079 -0.903 32 HD23 HYP 4 HD12 HYP 4 0.249 -9.389 -1.995 33 HD1 HYP 4 HD2 HYP 4 -0.287 -9.169 1.494 34 H GLY 5 H GLY 5 2.398 -4.644 -1.904 35 HA2 GLY 5 HA2 GLY 5 4.007 -4.263 -3.533 36 HA3 GLY 5 HA1 GLY 5 3.543 -5.758 -4.317 37 H SER 6 H SER 6 0.631 -4.667 -3.872 38 HA SER 6 HA SER 6 0.378 -3.516 -6.448 39 HB2 SER 6 HB2 SER 6 -1.512 -4.641 -5.798 40 HB3 SER 6 HB1 SER 6 -1.581 -3.866 -4.174 41 HG SER 6 HG SER 6 -2.405 -2.086 -5.229 42 H LYS 7 H LYS 7 -0.814 -1.666 -6.602 43 HA LYS 7 HA LYS 7 0.612 0.499 -5.197 44 HB2 LYS 7 HB2 LYS 7 -0.204 2.101 -6.844 45 HB3 LYS 7 HB1 LYS 7 0.563 0.762 -7.659 46 HG2 LYS 7 HG2 LYS 7 -1.715 -0.159 -8.146 47 HG3 LYS 7 HG1 LYS 7 -2.390 1.304 -7.423 48 HD2 LYS 7 HD2 LYS 7 -0.524 1.241 -9.804 49 HD3 LYS 7 HD1 LYS 7 -2.269 1.445 -9.894 50 HE2 LYS 7 HE2 LYS 7 -0.370 3.327 -8.465 51 HE3 LYS 7 HE1 LYS 7 -0.998 3.572 -10.084 52 HZ1 LYS 7 HZ1 LYS 7 -3.204 3.760 -9.223 53 HZ2 LYS 7 HZ2 LYS 7 -2.229 4.792 -8.330 54 HZ3 LYS 7 HZ3 LYS 7 -2.733 3.349 -7.669 55 H CYS 8 H CYS 8 -0.473 2.066 -4.003 56 HA CYS 8 HA CYS 8 -3.239 1.275 -3.389 57 HB2 CYS 8 HB2 CYS 8 -2.700 1.973 -1.030 58 HB3 CYS 8 HB1 CYS 8 -2.110 0.420 -1.584 59 H SER 9 H SER 9 -4.430 2.865 -2.109 60 HA SER 9 HA SER 9 -4.122 5.398 -3.356 61 HB2 SER 9 HB2 SER 9 -6.160 4.622 -1.376 62 HB3 SER 9 HB1 SER 9 -6.247 5.652 -2.806 63 HG SER 9 HG SER 9 -6.181 2.845 -2.704 64 HA HYP 10 HA HYP 10 -1.640 6.839 -0.032 65 HB2 HYP 10 HB1 HYP 10 -1.221 8.967 -0.711 66 HB3 HYP 10 HB2 HYP 10 -2.861 9.493 -0.301 67 HG HYP 10 HG HYP 10 -2.802 9.538 -2.742 68 HD22 HYP 10 HD11 HYP 10 -4.090 7.347 -3.168 69 HD23 HYP 10 HD12 HYP 10 -4.676 8.292 -1.768 70 HD1 HYP 10 HD2 HYP 10 -2.138 6.978 -2.927 71 H SER 11 H SER 11 -5.036 7.939 0.221 72 HA SER 11 HA SER 11 -4.633 8.202 3.075 73 HB2 SER 11 HB2 SER 11 -6.932 9.100 1.345 74 HB3 SER 11 HB1 SER 11 -6.726 9.460 3.063 75 HG SER 11 HG SER 11 -4.780 10.486 2.530 76 H MET 12 H MET 12 -6.177 6.118 0.791 77 HA MET 12 HA MET 12 -8.053 5.047 2.692 78 HB2 MET 12 HB2 MET 12 -7.220 3.881 0.039 79 HB3 MET 12 HB1 MET 12 -8.440 3.206 1.078 80 HG2 MET 12 HG2 MET 12 -9.791 5.225 0.833 81 HG3 MET 12 HG1 MET 12 -8.571 5.899 -0.244 82 HE1 MET 12 HE1 MET 12 -11.315 3.138 0.253 83 HE2 MET 12 HE2 MET 12 -9.883 2.135 -0.007 84 HE3 MET 12 3HE MET 12 -11.156 2.184 -1.220 85 H ARG 13 H ARG 13 -4.949 4.187 1.609 86 HA ARG 13 HA ARG 13 -3.427 2.557 2.190 87 HB2 ARG 13 HB2 ARG 13 -3.558 3.828 4.250 88 HB3 ARG 13 HB1 ARG 13 -5.003 2.964 4.720 89 HG2 ARG 13 HG2 ARG 13 -3.653 0.964 5.149 90 HG3 ARG 13 HG1 ARG 13 -2.217 1.789 4.527 91 HD2 ARG 13 HD2 ARG 13 -2.305 1.770 7.005 92 HD3 ARG 13 HD1 ARG 13 -2.283 3.390 6.320 93 HE ARG 13 HE ARG 13 -4.738 2.065 7.235 94 HH11 ARG 13 HH11 ARG 13 -2.605 4.944 7.176 95 HH12 ARG 13 HH12 ARG 13 -3.694 5.942 7.988 96 HH21 ARG 13 HH21 ARG 13 -6.257 3.521 8.356 97 HH22 ARG 13 HH22 ARG 13 -5.818 5.134 8.659 98 H ASP 14 H ASP 14 -5.480 1.705 0.726 99 HA ASP 14 HA ASP 14 -7.170 -0.308 1.780 100 HB2 ASP 14 HB2 ASP 14 -7.929 -0.461 -0.570 101 HB3 ASP 14 HB1 ASP 14 -8.026 1.152 0.128 102 H CYS 15 H CYS 15 -4.423 -1.009 1.948 103 HA CYS 15 HA CYS 15 -4.153 -3.232 0.041 104 HB2 CYS 15 HB2 CYS 15 -2.151 -2.299 2.090 105 HB3 CYS 15 HB1 CYS 15 -1.917 -3.491 0.843 106 H CYS 16 H CYS 16 -3.589 -5.318 0.839 107 HA CYS 16 HA CYS 16 -5.163 -6.174 3.005 108 HB2 CYS 16 HB2 CYS 16 -2.930 -7.549 1.547 109 HB3 CYS 16 HB1 CYS 16 -4.059 -8.337 2.639 110 H THR 17 H THR 17 -1.796 -5.287 2.762 111 HA THR 17 HA THR 17 -1.346 -5.974 5.558 112 HB THR 17 HB THR 17 0.991 -5.091 4.975 113 HG1 THR 17 HG1 THR 17 1.359 -5.139 2.626 114 HG21 THR 17 HG21 THR 17 -0.058 -7.434 3.370 115 HG22 THR 17 HG22 THR 17 0.487 -7.510 5.048 116 HG23 THR 17 HG23 THR 17 1.633 -7.135 3.763 117 H THR 18 H THR 18 -0.159 -3.283 3.713 118 HA THR 18 HA THR 18 -1.844 -1.305 4.717 119 HB THR 18 HB THR 18 -0.452 -1.722 6.770 120 HG1 THR 18 HG1 THR 18 -0.286 0.389 7.188 121 HG21 THR 18 HG21 THR 18 1.819 -0.748 5.032 122 HG22 THR 18 HG22 THR 18 1.648 -2.366 5.709 123 HG23 THR 18 HG23 THR 18 1.911 -0.985 6.774 124 H CYS 19 H CYS 19 -0.708 0.850 4.087 125 HA CYS 19 HA CYS 19 0.404 0.446 1.379 126 HB2 CYS 19 HB2 CYS 19 -1.789 1.390 1.317 127 HB3 CYS 19 HB1 CYS 19 -1.381 2.593 2.544 128 H ILE 20 H ILE 20 2.437 1.048 1.249 129 HA ILE 20 HA ILE 20 3.644 2.702 3.286 130 HB ILE 20 HB ILE 20 4.921 1.775 0.694 131 HG12 ILE 20 HG12 ILE 20 4.681 0.245 3.301 132 HG13 ILE 20 HG11 ILE 20 3.975 -0.184 1.766 133 HG21 ILE 20 HG21 ILE 20 6.080 2.425 3.413 134 HG22 ILE 20 HG22 ILE 20 6.123 3.471 2.000 135 HG23 ILE 20 HG23 ILE 20 7.006 1.942 1.989 136 HD11 ILE 20 HD11 ILE 20 6.939 -0.053 2.263 137 HD12 ILE 20 HD12 ILE 20 6.147 -0.583 0.780 138 HD13 ILE 20 HD13 ILE 20 5.976 -1.526 2.260 139 H SER 21 H SER 21 2.924 4.771 3.073 140 HA SER 21 HA SER 21 2.029 6.002 0.756 141 HB2 SER 21 HB2 SER 21 3.168 7.338 3.207 142 HB3 SER 21 HB1 SER 21 2.027 8.038 2.056 143 HG SER 21 HG SER 21 0.796 5.968 2.678 144 H TYR 22 H TYR 22 5.223 5.656 1.978 145 HA TYR 22 HA TYR 22 6.736 7.611 0.754 146 HB2 TYR 22 HB2 TYR 22 7.483 5.775 2.305 147 HB3 TYR 22 HB1 TYR 22 7.428 4.700 0.939 148 HD1 TYR 22 HD1 TYR 22 9.292 4.352 -0.389 149 HD2 TYR 22 HD2 TYR 22 9.079 7.861 2.003 150 HE1 TYR 22 HE1 TYR 22 11.589 4.901 -1.008 151 HE2 TYR 22 HE2 TYR 22 11.382 8.427 1.385 152 HH TYR 22 HH TYR 22 13.038 6.882 -1.136 153 H THR 23 H THR 23 5.894 4.473 -0.542 154 HA THR 23 HA THR 23 6.623 5.430 -3.241 155 HB THR 23 HB THR 23 8.085 3.638 -2.445 156 HG1 THR 23 HG1 THR 23 7.769 3.600 -4.618 157 HG21 THR 23 HG21 THR 23 6.597 2.503 -0.909 158 HG22 THR 23 HG22 THR 23 7.220 1.344 -2.087 159 HG23 THR 23 HG23 THR 23 5.577 1.971 -2.243 160 H LYS 24 H LYS 24 3.960 4.748 -1.420 161 HA LYS 24 HA LYS 24 1.789 4.345 -1.723 162 HB2 LYS 24 HB2 LYS 24 2.130 4.865 -4.667 163 HB3 LYS 24 HB1 LYS 24 0.698 4.971 -3.707 164 HG2 LYS 24 HG2 LYS 24 3.019 6.857 -3.388 165 HG3 LYS 24 HG1 LYS 24 1.532 7.221 -4.263 166 HD2 LYS 24 HD2 LYS 24 0.285 6.799 -2.129 167 HD3 LYS 24 HD1 LYS 24 1.843 6.631 -1.322 168 HE2 LYS 24 HE2 LYS 24 0.825 9.092 -2.750 169 HE3 LYS 24 HE1 LYS 24 0.935 8.876 -1.009 170 HZ1 LYS 24 HZ1 LYS 24 2.787 10.162 -1.772 171 HZ2 LYS 24 HZ2 LYS 24 3.197 9.023 -2.922 172 HZ3 LYS 24 HZ3 LYS 24 3.370 8.660 -1.274 173 H ARG 25 H ARG 25 3.357 2.133 -1.658 174 HA ARG 25 HA ARG 25 1.854 0.331 -3.406 175 HB2 ARG 25 HB2 ARG 25 4.733 -0.137 -2.589 176 HB3 ARG 25 HB1 ARG 25 3.749 -1.193 -3.577 177 HG2 ARG 25 HG2 ARG 25 4.813 1.527 -4.332 178 HG3 ARG 25 HG1 ARG 25 5.272 -0.032 -5.011 179 HD2 ARG 25 HD2 ARG 25 2.946 -0.281 -5.875 180 HD3 ARG 25 HD1 ARG 25 2.591 1.295 -5.201 181 HE ARG 25 HE ARG 25 4.591 0.878 -7.295 182 HH11 ARG 25 HH11 ARG 25 2.047 2.870 -5.813 183 HH12 ARG 25 HH12 ARG 25 2.022 4.000 -7.102 184 HH21 ARG 25 HH21 ARG 25 4.542 2.486 -9.016 185 HH22 ARG 25 HH22 ARG 25 3.428 3.775 -8.921 186 H CYS 26 H CYS 26 1.731 -1.887 -2.483 187 HA CYS 26 HA CYS 26 0.974 -1.573 0.261 188 HB2 CYS 26 HB2 CYS 26 0.694 -3.891 -1.647 189 HB3 CYS 26 HB1 CYS 26 -0.037 -3.795 -0.047 190 H ARG 27 H ARG 27 1.920 -2.472 1.902 191 HA ARG 27 HA ARG 27 4.683 -3.063 1.840 192 HB2 ARG 27 HB2 ARG 27 3.258 -2.139 3.761 193 HB3 ARG 27 HB1 ARG 27 2.718 -3.767 3.983 194 HG2 ARG 27 HG2 ARG 27 5.016 -4.545 4.317 195 HG3 ARG 27 HG1 ARG 27 5.571 -2.874 4.255 196 HD2 ARG 27 HD2 ARG 27 4.375 -2.337 6.240 197 HD3 ARG 27 HD1 ARG 27 3.512 -3.876 6.214 198 HE ARG 27 HE ARG 27 6.179 -4.483 6.257 199 HH11 ARG 27 HH11 ARG 27 3.949 -2.773 8.429 200 HH12 ARG 27 HH12 ARG 27 4.753 -3.257 9.847 201 HH21 ARG 27 HH21 ARG 27 7.235 -5.172 8.219 202 HH22 ARG 27 HH22 ARG 27 6.659 -4.646 9.718 203 H LYS 28 H LYS 28 5.726 -5.058 2.431 204 HA LYS 28 HA LYS 28 4.433 -7.526 1.607 205 HB2 LYS 28 HB2 LYS 28 7.072 -7.154 3.031 206 HB3 LYS 28 HB1 LYS 28 6.533 -8.525 2.099 207 HG2 LYS 28 HG2 LYS 28 6.652 -7.267 0.028 208 HG3 LYS 28 HG1 LYS 28 7.110 -5.816 0.910 209 HD2 LYS 28 HD2 LYS 28 9.068 -6.855 -0.114 210 HD3 LYS 28 HD1 LYS 28 9.185 -6.918 1.644 211 HE2 LYS 28 HE2 LYS 28 8.454 -9.250 1.610 212 HE3 LYS 28 HE1 LYS 28 8.288 -9.191 -0.140 213 HZ1 LYS 28 HZ1 LYS 28 10.340 -10.232 0.547 214 HZ2 LYS 28 HZ2 LYS 28 10.814 -8.848 1.376 215 HZ3 LYS 28 HZ3 LYS 28 10.700 -8.807 -0.296 216 H TYR 29 H TYR 29 4.872 -9.295 3.278 217 HA TYR 29 HA TYR 29 3.335 -8.548 5.570 218 HB2 TYR 29 HB2 TYR 29 4.593 -11.146 4.742 219 HB3 TYR 29 HB1 TYR 29 3.652 -10.964 6.219 220 HD1 TYR 29 HD1 TYR 29 1.241 -10.230 6.012 221 HD2 TYR 29 HD2 TYR 29 3.525 -11.426 2.644 222 HE1 TYR 29 HE1 TYR 29 -0.818 -10.518 4.740 223 HE2 TYR 29 HE2 TYR 29 1.476 -11.729 1.354 224 HH TYR 29 HH TYR 29 -0.963 -12.115 1.739 225 H TYR 30 H TYR 30 6.502 -10.086 5.313 226 HA TYR 30 HA TYR 30 7.279 -8.515 7.605 227 HB2 TYR 30 HB2 TYR 30 8.216 -11.272 6.781 228 HB3 TYR 30 HB1 TYR 30 9.027 -10.308 8.004 229 HD1 TYR 30 HD1 TYR 30 5.912 -12.100 7.181 230 HD2 TYR 30 HD2 TYR 30 8.187 -10.193 10.216 231 HE1 TYR 30 HE1 TYR 30 4.431 -13.047 8.863 232 HE2 TYR 30 HE2 TYR 30 6.715 -11.130 11.926 233 HH TYR 30 HH TYR 30 4.448 -12.002 12.111 Start of MODEL 11 1 H1 CYS 1 HT1 CYS 1 -8.506 -7.378 -0.374 2 H2 CYS 1 HT2 CYS 1 -9.335 -6.189 -1.236 3 H3 CYS 1 HT3 CYS 1 -9.530 -6.305 0.441 4 HA CYS 1 HA CYS 1 -8.118 -4.476 -0.101 5 HB2 CYS 1 HB2 CYS 1 -6.128 -5.243 1.223 6 HB3 CYS 1 HB1 CYS 1 -7.687 -5.467 1.993 7 H LYS 2 H LYS 2 -5.945 -3.852 -0.712 8 HA LYS 2 HA LYS 2 -5.225 -5.034 -3.232 9 HB2 LYS 2 HB2 LYS 2 -3.990 -2.701 -1.737 10 HB3 LYS 2 HB1 LYS 2 -3.440 -3.286 -3.284 11 HG2 LYS 2 HG2 LYS 2 -5.508 -2.742 -4.341 12 HG3 LYS 2 HG1 LYS 2 -6.229 -2.300 -2.792 13 HD2 LYS 2 HD2 LYS 2 -4.743 -0.436 -2.565 14 HD3 LYS 2 HD1 LYS 2 -3.822 -0.942 -3.982 15 HE2 LYS 2 HE2 LYS 2 -5.366 0.948 -4.438 16 HE3 LYS 2 HE1 LYS 2 -5.693 -0.471 -5.427 17 HZ1 LYS 2 HZ1 LYS 2 -7.689 0.654 -4.438 18 HZ2 LYS 2 HZ2 LYS 2 -7.207 0.061 -2.919 19 HZ3 LYS 2 HZ3 LYS 2 -7.568 -0.984 -4.160 20 HA PRO 3 HA PRO 3 -2.373 -7.927 -1.578 21 HB2 PRO 3 HB2 PRO 3 -1.088 -8.543 -3.905 22 HB3 PRO 3 HB1 PRO 3 -2.720 -9.100 -3.541 23 HG2 PRO 3 HG2 PRO 3 -1.850 -6.761 -5.195 24 HG3 PRO 3 HG1 PRO 3 -3.081 -7.985 -5.559 25 HD2 PRO 3 HD2 PRO 3 -3.716 -5.554 -4.633 26 HD3 PRO 3 HD1 PRO 3 -4.639 -7.003 -4.173 27 HA HYP 4 HA HYP 4 1.403 -5.826 -0.624 28 HB2 HYP 4 HB1 HYP 4 2.490 -7.436 0.528 29 HB3 HYP 4 HB2 HYP 4 3.125 -8.106 -0.976 30 HG HYP 4 HG HYP 4 1.787 -9.896 -0.376 31 HD22 HYP 4 HD11 HYP 4 -0.693 -9.185 -1.125 32 HD23 HYP 4 HD12 HYP 4 0.609 -9.209 -2.338 33 HD1 HYP 4 HD2 HYP 4 0.100 -9.757 0.909 34 H GLY 5 H GLY 5 2.531 -4.510 -1.825 35 HA2 GLY 5 HA2 GLY 5 4.161 -3.987 -3.429 36 HA3 GLY 5 HA1 GLY 5 3.800 -5.503 -4.240 37 H SER 6 H SER 6 0.823 -4.564 -3.807 38 HA SER 6 HA SER 6 0.517 -3.484 -6.387 39 HB2 SER 6 HB2 SER 6 -1.339 -4.578 -5.566 40 HB3 SER 6 HB1 SER 6 -1.428 -3.598 -4.058 41 HG SER 6 HG SER 6 -2.179 -1.908 -5.436 42 H LYS 7 H LYS 7 -0.604 -1.649 -6.623 43 HA LYS 7 HA LYS 7 0.810 0.550 -5.273 44 HB2 LYS 7 HB2 LYS 7 0.325 2.018 -7.129 45 HB3 LYS 7 HB1 LYS 7 0.998 0.534 -7.752 46 HG2 LYS 7 HG2 LYS 7 -1.424 -0.157 -8.203 47 HG3 LYS 7 HG1 LYS 7 -1.812 1.541 -7.932 48 HD2 LYS 7 HD2 LYS 7 0.092 2.031 -9.604 49 HD3 LYS 7 HD1 LYS 7 -0.054 0.341 -10.041 50 HE2 LYS 7 HE2 LYS 7 -1.370 1.681 -11.555 51 HE3 LYS 7 HE1 LYS 7 -2.432 0.678 -10.569 52 HZ1 LYS 7 HZ1 LYS 7 -3.183 3.017 -10.795 53 HZ2 LYS 7 HZ2 LYS 7 -1.811 3.517 -9.965 54 HZ3 LYS 7 HZ3 LYS 7 -2.950 2.555 -9.198 55 H CYS 8 H CYS 8 -0.252 2.122 -4.238 56 HA CYS 8 HA CYS 8 -3.130 1.697 -4.011 57 HB2 CYS 8 HB2 CYS 8 -2.798 2.058 -1.518 58 HB3 CYS 8 HB1 CYS 8 -2.485 0.479 -2.216 59 H SER 9 H SER 9 -4.280 3.304 -2.984 60 HA SER 9 HA SER 9 -3.355 5.901 -3.574 61 HB2 SER 9 HB2 SER 9 -5.839 4.985 -2.234 62 HB3 SER 9 HB1 SER 9 -5.540 6.429 -3.208 63 HG SER 9 HG SER 9 -5.110 4.985 -4.997 64 HA HYP 10 HA HYP 10 -1.576 6.222 0.418 65 HB2 HYP 10 HB1 HYP 10 -0.539 8.226 0.199 66 HB3 HYP 10 HB2 HYP 10 -2.068 9.086 0.449 67 HG HYP 10 HG HYP 10 -1.563 9.521 -1.890 68 HD22 HYP 10 HD11 HYP 10 -3.122 7.756 -2.965 69 HD23 HYP 10 HD12 HYP 10 -3.796 8.572 -1.529 70 HD1 HYP 10 HD2 HYP 10 -1.352 7.009 -2.624 71 H SER 11 H SER 11 -4.558 8.297 0.265 72 HA SER 11 HA SER 11 -4.725 8.108 3.098 73 HB2 SER 11 HB2 SER 11 -6.839 9.527 2.677 74 HB3 SER 11 HB1 SER 11 -5.263 10.240 2.350 75 HG SER 11 HG SER 11 -5.856 10.489 0.408 76 H MET 12 H MET 12 -5.956 6.285 0.527 77 HA MET 12 HA MET 12 -8.094 5.249 2.177 78 HB2 MET 12 HB2 MET 12 -7.183 4.372 -0.560 79 HB3 MET 12 HB1 MET 12 -8.400 3.495 0.354 80 HG2 MET 12 HG2 MET 12 -9.760 5.560 0.432 81 HG3 MET 12 HG1 MET 12 -8.573 6.335 -0.616 82 HE1 MET 12 HE1 MET 12 -10.511 6.963 -2.310 83 HE2 MET 12 HE2 MET 12 -11.695 6.177 -1.265 84 HE3 MET 12 3HE MET 12 -11.641 5.791 -2.985 85 H ARG 13 H ARG 13 -5.095 4.148 1.006 86 HA ARG 13 HA ARG 13 -3.596 2.571 1.758 87 HB2 ARG 13 HB2 ARG 13 -3.579 4.280 3.449 88 HB3 ARG 13 HB1 ARG 13 -4.931 3.538 4.266 89 HG2 ARG 13 HG2 ARG 13 -3.515 1.768 5.073 90 HG3 ARG 13 HG1 ARG 13 -2.192 2.270 4.018 91 HD2 ARG 13 HD2 ARG 13 -3.356 3.921 6.259 92 HD3 ARG 13 HD1 ARG 13 -1.843 3.008 6.336 93 HE ARG 13 HE ARG 13 -1.274 4.493 4.289 94 HH11 ARG 13 HH11 ARG 13 -3.029 5.626 7.171 95 HH12 ARG 13 HH12 ARG 13 -2.443 7.220 7.027 96 HH21 ARG 13 HH21 ARG 13 -0.529 6.689 4.106 97 HH22 ARG 13 HH22 ARG 13 -0.991 7.840 5.253 98 H ASP 14 H ASP 14 -5.990 1.452 0.803 99 HA ASP 14 HA ASP 14 -7.081 -0.496 2.626 100 HB2 ASP 14 HB2 ASP 14 -8.571 -1.053 0.821 101 HB3 ASP 14 HB1 ASP 14 -8.533 0.691 1.063 102 H CYS 15 H CYS 15 -4.407 -0.932 2.133 103 HA CYS 15 HA CYS 15 -4.198 -3.221 0.341 104 HB2 CYS 15 HB2 CYS 15 -2.158 -2.165 2.298 105 HB3 CYS 15 HB1 CYS 15 -1.882 -3.374 1.077 106 H CYS 16 H CYS 16 -3.481 -5.296 1.127 107 HA CYS 16 HA CYS 16 -5.046 -6.270 3.223 108 HB2 CYS 16 HB2 CYS 16 -2.652 -7.453 1.850 109 HB3 CYS 16 HB1 CYS 16 -3.758 -8.347 2.883 110 H THR 17 H THR 17 -1.790 -5.102 3.137 111 HA THR 17 HA THR 17 -1.467 -5.663 5.981 112 HB THR 17 HB THR 17 0.880 -4.742 5.486 113 HG1 THR 17 HG1 THR 17 1.238 -5.131 3.046 114 HG21 THR 17 HG21 THR 17 -0.012 -7.225 3.995 115 HG22 THR 17 HG22 THR 17 0.447 -7.164 5.697 116 HG23 THR 17 HG23 THR 17 1.650 -6.846 4.447 117 H THR 18 H THR 18 -0.237 -3.086 4.020 118 HA THR 18 HA THR 18 -1.993 -1.054 4.792 119 HB THR 18 HB THR 18 -0.698 -1.263 6.917 120 HG1 THR 18 HG1 THR 18 -0.395 0.915 7.115 121 HG21 THR 18 HG21 THR 18 1.453 -2.038 6.014 122 HG22 THR 18 HG22 THR 18 1.688 -0.575 6.970 123 HG23 THR 18 HG23 THR 18 1.682 -0.488 5.208 124 H CYS 19 H CYS 19 -0.889 1.051 4.026 125 HA CYS 19 HA CYS 19 0.400 0.421 1.450 126 HB2 CYS 19 HB2 CYS 19 -1.819 1.285 1.141 127 HB3 CYS 19 HB1 CYS 19 -1.487 2.667 2.190 128 H ILE 20 H ILE 20 2.404 1.014 1.395 129 HA ILE 20 HA ILE 20 3.546 2.858 3.290 130 HB ILE 20 HB ILE 20 4.865 1.847 0.749 131 HG12 ILE 20 HG12 ILE 20 4.682 0.249 3.380 132 HG13 ILE 20 HG11 ILE 20 3.962 -0.149 1.846 133 HG21 ILE 20 HG21 ILE 20 6.934 2.044 2.056 134 HG22 ILE 20 HG22 ILE 20 5.997 2.603 3.441 135 HG23 ILE 20 HG23 ILE 20 6.054 3.570 1.965 136 HD11 ILE 20 HD11 ILE 20 5.960 -1.457 2.289 137 HD12 ILE 20 HD12 ILE 20 6.914 0.028 2.338 138 HD13 ILE 20 HD13 ILE 20 6.127 -0.461 0.841 139 H SER 21 H SER 21 2.509 4.807 2.856 140 HA SER 21 HA SER 21 1.609 5.668 0.365 141 HB2 SER 21 HB2 SER 21 2.112 7.290 2.854 142 HB3 SER 21 HB1 SER 21 1.032 7.728 1.525 143 HG SER 21 HG SER 21 0.445 5.272 2.243 144 H TYR 22 H TYR 22 4.732 5.921 1.668 145 HA TYR 22 HA TYR 22 5.718 8.172 0.270 146 HB2 TYR 22 HB2 TYR 22 6.815 6.950 2.177 147 HB3 TYR 22 HB1 TYR 22 7.219 5.688 1.046 148 HD1 TYR 22 HD1 TYR 22 7.548 9.390 1.235 149 HD2 TYR 22 HD2 TYR 22 9.351 5.707 0.124 150 HE1 TYR 22 HE1 TYR 22 9.561 10.588 0.564 151 HE2 TYR 22 HE2 TYR 22 11.369 6.896 -0.561 152 HH TYR 22 HH TYR 22 12.003 9.151 -1.284 153 H THR 23 H THR 23 5.830 4.757 -0.381 154 HA THR 23 HA THR 23 6.768 5.146 -3.141 155 HB THR 23 HB THR 23 6.213 2.514 -1.752 156 HG1 THR 23 HG1 THR 23 8.437 4.257 -1.592 157 HG21 THR 23 HG21 THR 23 8.019 1.704 -3.219 158 HG22 THR 23 HG22 THR 23 8.221 3.327 -3.880 159 HG23 THR 23 HG23 THR 23 6.730 2.437 -4.171 160 H LYS 24 H LYS 24 3.904 4.880 -1.480 161 HA LYS 24 HA LYS 24 1.769 4.305 -1.803 162 HB2 LYS 24 HB2 LYS 24 2.423 4.915 -4.658 163 HB3 LYS 24 HB1 LYS 24 0.836 4.870 -3.939 164 HG2 LYS 24 HG2 LYS 24 1.119 6.728 -2.634 165 HG3 LYS 24 HG1 LYS 24 2.875 6.637 -2.710 166 HD2 LYS 24 HD2 LYS 24 2.889 7.305 -4.918 167 HD3 LYS 24 HD1 LYS 24 1.112 7.294 -5.043 168 HE2 LYS 24 HE2 LYS 24 1.984 9.593 -4.718 169 HE3 LYS 24 HE1 LYS 24 0.995 9.070 -3.357 170 HZ1 LYS 24 HZ1 LYS 24 3.960 9.041 -3.440 171 HZ2 LYS 24 HZ2 LYS 24 3.024 8.583 -2.107 172 HZ3 LYS 24 HZ3 LYS 24 3.024 10.181 -2.645 173 H ARG 25 H ARG 25 3.399 2.167 -1.637 174 HA ARG 25 HA ARG 25 1.975 0.282 -3.352 175 HB2 ARG 25 HB2 ARG 25 4.824 -0.053 -2.433 176 HB3 ARG 25 HB1 ARG 25 3.910 -1.204 -3.375 177 HG2 ARG 25 HG2 ARG 25 4.798 1.524 -4.303 178 HG3 ARG 25 HG1 ARG 25 5.448 -0.028 -4.834 179 HD2 ARG 25 HD2 ARG 25 3.124 -0.583 -5.692 180 HD3 ARG 25 HD1 ARG 25 2.690 1.037 -5.211 181 HE ARG 25 HE ARG 25 4.526 1.774 -6.771 182 HH11 ARG 25 HH11 ARG 25 2.599 -1.138 -7.377 183 HH12 ARG 25 HH12 ARG 25 2.506 -0.913 -9.048 184 HH21 ARG 25 HH21 ARG 25 4.361 2.115 -9.091 185 HH22 ARG 25 HH22 ARG 25 3.501 1.012 -10.050 186 H CYS 26 H CYS 26 1.793 -1.823 -2.364 187 HA CYS 26 HA CYS 26 1.028 -1.413 0.391 188 HB2 CYS 26 HB2 CYS 26 0.629 -3.787 -1.429 189 HB3 CYS 26 HB1 CYS 26 -0.070 -3.607 0.178 190 H ARG 27 H ARG 27 1.842 -2.468 2.084 191 HA ARG 27 HA ARG 27 4.600 -3.203 1.977 192 HB2 ARG 27 HB2 ARG 27 3.221 -2.131 3.908 193 HB3 ARG 27 HB1 ARG 27 2.734 -3.765 4.248 194 HG2 ARG 27 HG2 ARG 27 5.135 -4.421 4.438 195 HG3 ARG 27 HG1 ARG 27 5.548 -2.710 4.335 196 HD2 ARG 27 HD2 ARG 27 4.132 -2.299 6.309 197 HD3 ARG 27 HD1 ARG 27 3.828 -4.031 6.420 198 HE ARG 27 HE ARG 27 6.307 -2.625 6.978 199 HH11 ARG 27 HH11 ARG 27 4.713 -5.802 6.696 200 HH12 ARG 27 HH12 ARG 27 5.744 -6.567 7.798 201 HH21 ARG 27 HH21 ARG 27 7.722 -3.716 8.507 202 HH22 ARG 27 HH22 ARG 27 7.491 -5.366 8.852 203 H LYS 28 H LYS 28 5.408 -5.251 2.731 204 HA LYS 28 HA LYS 28 3.762 -7.585 1.984 205 HB2 LYS 28 HB2 LYS 28 6.663 -7.543 2.768 206 HB3 LYS 28 HB1 LYS 28 5.778 -8.789 1.936 207 HG2 LYS 28 HG2 LYS 28 5.607 -7.457 -0.069 208 HG3 LYS 28 HG1 LYS 28 6.398 -6.098 0.731 209 HD2 LYS 28 HD2 LYS 28 8.410 -7.511 1.053 210 HD3 LYS 28 HD1 LYS 28 7.616 -8.802 0.156 211 HE2 LYS 28 HE2 LYS 28 9.125 -7.607 -1.306 212 HE3 LYS 28 HE1 LYS 28 7.456 -7.314 -1.789 213 HZ1 LYS 28 HZ1 LYS 28 8.785 -5.302 -1.828 214 HZ2 LYS 28 HZ2 LYS 28 9.105 -5.431 -0.178 215 HZ3 LYS 28 HZ3 LYS 28 7.534 -5.171 -0.719 216 H TYR 29 H TYR 29 4.360 -9.470 3.419 217 HA TYR 29 HA TYR 29 3.814 -8.697 6.170 218 HB2 TYR 29 HB2 TYR 29 3.751 -11.322 4.701 219 HB3 TYR 29 HB1 TYR 29 3.678 -11.251 6.447 220 HD1 TYR 29 HD1 TYR 29 1.869 -10.662 3.310 221 HD2 TYR 29 HD2 TYR 29 1.698 -10.297 7.545 222 HE1 TYR 29 HE1 TYR 29 -0.552 -10.326 3.180 223 HE2 TYR 29 HE2 TYR 29 -0.712 -9.960 7.435 224 HH TYR 29 HH TYR 29 -2.514 -10.577 4.629 225 H TYR 30 H TYR 30 5.984 -10.764 4.384 226 HA TYR 30 HA TYR 30 7.827 -10.739 6.564 227 HB2 TYR 30 HB2 TYR 30 7.988 -12.125 3.880 228 HB3 TYR 30 HB1 TYR 30 9.174 -12.293 5.168 229 HD1 TYR 30 HD1 TYR 30 6.099 -13.514 3.825 230 HD2 TYR 30 HD2 TYR 30 8.352 -13.192 7.416 231 HE1 TYR 30 HE1 TYR 30 4.762 -15.308 4.818 232 HE2 TYR 30 HE2 TYR 30 7.035 -14.993 8.415 233 HH TYR 30 HH TYR 30 5.025 -17.003 6.632 Start of MODEL 12 1 H1 CYS 1 HT1 CYS 1 -9.246 -5.918 -1.802 2 H2 CYS 1 HT2 CYS 1 -9.653 -6.046 -0.165 3 H3 CYS 1 HT3 CYS 1 -8.641 -7.206 -0.903 4 HA CYS 1 HA CYS 1 -8.023 -4.351 -0.559 5 HB2 CYS 1 HB2 CYS 1 -6.244 -5.234 0.950 6 HB3 CYS 1 HB1 CYS 1 -7.865 -5.354 1.592 7 H LYS 2 H LYS 2 -5.862 -3.858 -1.043 8 HA LYS 2 HA LYS 2 -5.059 -5.103 -3.521 9 HB2 LYS 2 HB2 LYS 2 -3.614 -2.942 -1.970 10 HB3 LYS 2 HB1 LYS 2 -3.368 -3.390 -3.641 11 HG2 LYS 2 HG2 LYS 2 -5.879 -2.166 -2.536 12 HG3 LYS 2 HG1 LYS 2 -4.583 -1.328 -3.403 13 HD2 LYS 2 HD2 LYS 2 -5.006 -2.617 -5.382 14 HD3 LYS 2 HD1 LYS 2 -6.226 -3.578 -4.541 15 HE2 LYS 2 HE2 LYS 2 -7.203 -1.813 -5.954 16 HE3 LYS 2 HE1 LYS 2 -7.616 -1.638 -4.250 17 HZ1 LYS 2 HZ1 LYS 2 -7.005 0.427 -5.369 18 HZ2 LYS 2 HZ2 LYS 2 -5.415 -0.125 -5.565 19 HZ3 LYS 2 HZ3 LYS 2 -6.080 0.110 -4.014 20 HA PRO 3 HA PRO 3 -2.201 -7.906 -1.542 21 HB2 PRO 3 HB2 PRO 3 -0.970 -8.805 -3.793 22 HB3 PRO 3 HB1 PRO 3 -2.599 -9.318 -3.336 23 HG2 PRO 3 HG2 PRO 3 -1.753 -7.229 -5.304 24 HG3 PRO 3 HG1 PRO 3 -3.015 -8.466 -5.462 25 HD2 PRO 3 HD2 PRO 3 -3.557 -5.891 -4.841 26 HD3 PRO 3 HD1 PRO 3 -4.534 -7.248 -4.237 27 HA HYP 4 HA HYP 4 1.579 -5.661 -0.907 28 HB2 HYP 4 HB1 HYP 4 3.061 -7.086 0.107 29 HB3 HYP 4 HB2 HYP 4 3.064 -8.209 -1.261 30 HG HYP 4 HG HYP 4 1.787 -9.338 0.423 31 HD22 HYP 4 HD11 HYP 4 -0.639 -8.713 -0.483 32 HD23 HYP 4 HD12 HYP 4 0.546 -9.340 -1.655 33 HD1 HYP 4 HD2 HYP 4 1.511 -7.056 1.421 34 H GLY 5 H GLY 5 2.461 -4.394 -2.331 35 HA2 GLY 5 HA2 GLY 5 4.147 -4.065 -3.988 36 HA3 GLY 5 HA1 GLY 5 3.636 -5.571 -4.732 37 H SER 6 H SER 6 0.779 -4.619 -4.196 38 HA SER 6 HA SER 6 0.402 -3.315 -6.700 39 HB2 SER 6 HB2 SER 6 -1.422 -4.579 -6.082 40 HB3 SER 6 HB1 SER 6 -1.540 -3.868 -4.431 41 HG SER 6 HG SER 6 -2.429 -2.060 -5.470 42 H LYS 7 H LYS 7 -0.880 -1.503 -6.686 43 HA LYS 7 HA LYS 7 0.571 0.618 -5.232 44 HB2 LYS 7 HB2 LYS 7 -0.475 2.293 -6.658 45 HB3 LYS 7 HB1 LYS 7 0.233 1.042 -7.662 46 HG2 LYS 7 HG2 LYS 7 -1.924 0.084 -8.088 47 HG3 LYS 7 HG1 LYS 7 -2.685 1.174 -6.935 48 HD2 LYS 7 HD2 LYS 7 -1.279 2.043 -9.460 49 HD3 LYS 7 HD1 LYS 7 -3.024 1.856 -9.302 50 HE2 LYS 7 HE2 LYS 7 -2.976 3.573 -7.486 51 HE3 LYS 7 HE1 LYS 7 -1.259 3.793 -7.788 52 HZ1 LYS 7 HZ1 LYS 7 -1.787 4.493 -10.050 53 HZ2 LYS 7 HZ2 LYS 7 -2.564 5.461 -8.920 54 HZ3 LYS 7 HZ3 LYS 7 -3.427 4.284 -9.746 55 H CYS 8 H CYS 8 -0.488 2.132 -3.946 56 HA CYS 8 HA CYS 8 -3.170 1.262 -3.139 57 HB2 CYS 8 HB2 CYS 8 -2.503 2.153 -0.845 58 HB3 CYS 8 HB1 CYS 8 -1.919 0.574 -1.339 59 H SER 9 H SER 9 -4.360 2.884 -1.870 60 HA SER 9 HA SER 9 -4.222 5.366 -3.247 61 HB2 SER 9 HB2 SER 9 -6.159 4.275 -1.297 62 HB3 SER 9 HB1 SER 9 -6.392 5.562 -2.479 63 HG SER 9 HG SER 9 -6.121 2.782 -2.948 64 HA HYP 10 HA HYP 10 -1.644 7.060 -0.141 65 HB2 HYP 10 HB1 HYP 10 -1.459 9.169 -0.934 66 HB3 HYP 10 HB2 HYP 10 -3.062 9.603 -0.316 67 HG HYP 10 HG HYP 10 -3.354 9.598 -2.748 68 HD22 HYP 10 HD11 HYP 10 -4.497 7.298 -2.989 69 HD23 HYP 10 HD12 HYP 10 -4.973 8.177 -1.507 70 HD1 HYP 10 HD2 HYP 10 -2.449 7.090 -2.953 71 H SER 11 H SER 11 -5.113 7.675 0.477 72 HA SER 11 HA SER 11 -4.402 7.866 3.330 73 HB2 SER 11 HB2 SER 11 -6.651 9.266 1.888 74 HB3 SER 11 HB1 SER 11 -6.219 9.454 3.592 75 HG SER 11 HG SER 11 -5.385 10.975 1.800 76 H MET 12 H MET 12 -5.412 5.544 1.520 77 HA MET 12 HA MET 12 -7.885 5.060 3.037 78 HB2 MET 12 HB2 MET 12 -7.126 3.911 0.365 79 HB3 MET 12 HB1 MET 12 -8.558 3.472 1.279 80 HG2 MET 12 HG2 MET 12 -9.409 5.722 1.116 81 HG3 MET 12 HG1 MET 12 -7.945 6.244 0.286 82 HE1 MET 12 HE1 MET 12 -11.082 3.356 -1.491 83 HE2 MET 12 HE2 MET 12 -11.213 4.111 0.096 84 HE3 MET 12 3HE MET 12 -9.987 2.878 -0.197 85 H ARG 13 H ARG 13 -4.755 3.962 2.631 86 HA ARG 13 HA ARG 13 -3.569 2.049 3.097 87 HB2 ARG 13 HB2 ARG 13 -4.295 3.028 5.260 88 HB3 ARG 13 HB1 ARG 13 -5.678 1.953 5.219 89 HG2 ARG 13 HG2 ARG 13 -3.905 0.059 5.167 90 HG3 ARG 13 HG1 ARG 13 -2.752 1.308 5.636 91 HD2 ARG 13 HD2 ARG 13 -3.451 0.257 7.642 92 HD3 ARG 13 HD1 ARG 13 -4.297 1.804 7.587 93 HE ARG 13 HE ARG 13 -5.800 -0.272 6.374 94 HH11 ARG 13 HH11 ARG 13 -5.081 1.132 9.545 95 HH12 ARG 13 HH12 ARG 13 -6.452 0.452 10.292 96 HH21 ARG 13 HH21 ARG 13 -7.595 -1.191 7.374 97 HH22 ARG 13 HH22 ARG 13 -7.922 -0.923 9.037 98 H ASP 14 H ASP 14 -5.329 1.589 1.060 99 HA ASP 14 HA ASP 14 -7.321 -0.375 1.606 100 HB2 ASP 14 HB2 ASP 14 -7.762 -0.253 -0.837 101 HB3 ASP 14 HB1 ASP 14 -7.824 1.300 -0.020 102 H CYS 15 H CYS 15 -4.332 -0.947 1.717 103 HA CYS 15 HA CYS 15 -4.189 -3.276 -0.027 104 HB2 CYS 15 HB2 CYS 15 -2.211 -2.313 2.029 105 HB3 CYS 15 HB1 CYS 15 -1.956 -3.548 0.825 106 H CYS 16 H CYS 16 -3.633 -5.347 0.922 107 HA CYS 16 HA CYS 16 -5.367 -6.084 2.996 108 HB2 CYS 16 HB2 CYS 16 -2.958 -7.522 1.900 109 HB3 CYS 16 HB1 CYS 16 -4.225 -8.257 2.874 110 H THR 17 H THR 17 -1.973 -5.235 2.943 111 HA THR 17 HA THR 17 -1.753 -5.690 5.794 112 HB THR 17 HB THR 17 0.645 -4.922 5.285 113 HG1 THR 17 HG1 THR 17 1.164 -5.097 3.006 114 HG21 THR 17 HG21 THR 17 -0.403 -7.372 3.835 115 HG22 THR 17 HG22 THR 17 0.044 -7.314 5.543 116 HG23 THR 17 HG23 THR 17 1.277 -7.095 4.303 117 H THR 18 H THR 18 -0.406 -3.209 3.790 118 HA THR 18 HA THR 18 -2.105 -1.126 4.414 119 HB THR 18 HB THR 18 -1.134 -1.318 6.617 120 HG1 THR 18 HG1 THR 18 -0.625 0.851 6.849 121 HG21 THR 18 HG21 THR 18 1.024 -2.276 6.124 122 HG22 THR 18 HG22 THR 18 1.263 -0.782 7.032 123 HG23 THR 18 HG23 THR 18 1.524 -0.810 5.287 124 H CYS 19 H CYS 19 -0.650 0.963 3.994 125 HA CYS 19 HA CYS 19 0.397 0.519 1.260 126 HB2 CYS 19 HB2 CYS 19 -1.670 1.754 1.375 127 HB3 CYS 19 HB1 CYS 19 -1.023 2.843 2.595 128 H ILE 20 H ILE 20 2.470 0.982 0.974 129 HA ILE 20 HA ILE 20 4.108 2.291 2.942 130 HB ILE 20 HB ILE 20 4.759 1.652 0.041 131 HG12 ILE 20 HG12 ILE 20 5.020 -0.172 2.443 132 HG13 ILE 20 HG11 ILE 20 3.912 -0.360 1.115 133 HG21 ILE 20 HG21 ILE 20 6.361 3.108 1.155 134 HG22 ILE 20 HG22 ILE 20 7.078 1.527 0.840 135 HG23 ILE 20 HG23 ILE 20 6.533 1.939 2.467 136 HD11 ILE 20 HD11 ILE 20 6.904 -0.462 0.805 137 HD12 ILE 20 HD12 ILE 20 5.706 -0.736 -0.457 138 HD13 ILE 20 HD13 ILE 20 5.840 -1.868 0.883 139 H SER 21 H SER 21 3.578 4.448 3.094 140 HA SER 21 HA SER 21 2.275 5.950 1.143 141 HB2 SER 21 HB2 SER 21 3.927 6.988 3.426 142 HB3 SER 21 HB1 SER 21 2.526 7.753 2.673 143 HG SER 21 HG SER 21 1.428 5.673 3.329 144 H TYR 22 H TYR 22 5.630 5.337 1.591 145 HA TYR 22 HA TYR 22 6.746 7.622 0.336 146 HB2 TYR 22 HB2 TYR 22 7.906 5.897 1.800 147 HB3 TYR 22 HB1 TYR 22 7.869 4.831 0.421 148 HD1 TYR 22 HD1 TYR 22 9.234 5.347 -1.605 149 HD2 TYR 22 HD2 TYR 22 9.567 7.648 1.953 150 HE1 TYR 22 HE1 TYR 22 11.388 6.226 -2.380 151 HE2 TYR 22 HE2 TYR 22 11.735 8.535 1.175 152 HH TYR 22 HH TYR 22 12.849 8.217 -1.998 153 H THR 23 H THR 23 6.231 4.337 -0.831 154 HA THR 23 HA THR 23 6.706 5.205 -3.599 155 HB THR 23 HB THR 23 6.424 2.369 -2.596 156 HG1 THR 23 HG1 THR 23 8.931 3.591 -2.919 157 HG21 THR 23 HG21 THR 23 7.945 3.593 -4.921 158 HG22 THR 23 HG22 THR 23 6.441 2.689 -5.047 159 HG23 THR 23 HG23 THR 23 7.912 1.882 -4.503 160 H LYS 24 H LYS 24 4.077 4.604 -1.577 161 HA LYS 24 HA LYS 24 1.965 4.094 -1.718 162 HB2 LYS 24 HB2 LYS 24 2.059 4.986 -4.603 163 HB3 LYS 24 HB1 LYS 24 0.653 4.661 -3.654 164 HG2 LYS 24 HG2 LYS 24 0.910 7.058 -3.784 165 HG3 LYS 24 HG1 LYS 24 1.136 6.510 -2.132 166 HD2 LYS 24 HD2 LYS 24 3.549 6.663 -2.403 167 HD3 LYS 24 HD1 LYS 24 3.331 7.172 -4.078 168 HE2 LYS 24 HE2 LYS 24 2.209 9.181 -3.361 169 HE3 LYS 24 HE1 LYS 24 2.254 8.631 -1.684 170 HZ1 LYS 24 HZ1 LYS 24 4.655 8.752 -1.741 171 HZ2 LYS 24 HZ2 LYS 24 3.980 10.232 -2.118 172 HZ3 LYS 24 HZ3 LYS 24 4.624 9.278 -3.354 173 H ARG 25 H ARG 25 3.342 1.994 -1.720 174 HA ARG 25 HA ARG 25 1.848 0.252 -3.513 175 HB2 ARG 25 HB2 ARG 25 4.728 -0.204 -2.701 176 HB3 ARG 25 HB1 ARG 25 3.739 -1.334 -3.599 177 HG2 ARG 25 HG2 ARG 25 4.734 1.349 -4.539 178 HG3 ARG 25 HG1 ARG 25 5.205 -0.235 -5.153 179 HD2 ARG 25 HD2 ARG 25 2.737 -0.532 -5.807 180 HD3 ARG 25 HD1 ARG 25 2.560 1.138 -5.357 181 HE ARG 25 HE ARG 25 4.209 0.204 -7.577 182 HH11 ARG 25 HH11 ARG 25 2.483 2.821 -5.914 183 HH12 ARG 25 HH12 ARG 25 2.501 3.890 -7.228 184 HH21 ARG 25 HH21 ARG 25 4.198 1.653 -9.429 185 HH22 ARG 25 HH22 ARG 25 3.467 3.189 -9.307 186 H CYS 26 H CYS 26 1.712 -1.942 -2.592 187 HA CYS 26 HA CYS 26 0.912 -1.622 0.135 188 HB2 CYS 26 HB2 CYS 26 0.679 -3.968 -1.724 189 HB3 CYS 26 HB1 CYS 26 -0.052 -3.869 -0.119 190 H ARG 27 H ARG 27 1.722 -2.452 1.849 191 HA ARG 27 HA ARG 27 4.481 -3.058 1.933 192 HB2 ARG 27 HB2 ARG 27 2.918 -1.892 3.636 193 HB3 ARG 27 HB1 ARG 27 2.495 -3.506 4.117 194 HG2 ARG 27 HG2 ARG 27 4.713 -4.011 4.844 195 HG3 ARG 27 HG1 ARG 27 5.322 -2.498 4.159 196 HD2 ARG 27 HD2 ARG 27 3.984 -1.215 5.695 197 HD3 ARG 27 HD1 ARG 27 3.277 -2.683 6.352 198 HE ARG 27 HE ARG 27 5.799 -3.139 6.841 199 HH11 ARG 27 HH11 ARG 27 4.173 0.009 7.131 200 HH12 ARG 27 HH12 ARG 27 4.934 0.417 8.597 201 HH21 ARG 27 HH21 ARG 27 6.825 -2.572 8.861 202 HH22 ARG 27 HH22 ARG 27 6.482 -1.071 9.601 203 H LYS 28 H LYS 28 5.422 -4.957 2.760 204 HA LYS 28 HA LYS 28 4.293 -7.406 1.691 205 HB2 LYS 28 HB2 LYS 28 6.819 -6.942 3.240 206 HB3 LYS 28 HB1 LYS 28 6.434 -8.304 2.204 207 HG2 LYS 28 HG2 LYS 28 6.470 -6.938 0.250 208 HG3 LYS 28 HG1 LYS 28 6.670 -5.479 1.208 209 HD2 LYS 28 HD2 LYS 28 8.839 -6.359 2.011 210 HD3 LYS 28 HD1 LYS 28 8.634 -7.748 0.946 211 HE2 LYS 28 HE2 LYS 28 8.810 -4.862 0.118 212 HE3 LYS 28 HE1 LYS 28 10.049 -6.095 -0.117 213 HZ1 LYS 28 HZ1 LYS 28 7.364 -6.000 -1.359 214 HZ2 LYS 28 HZ2 LYS 28 8.428 -7.297 -1.516 215 HZ3 LYS 28 HZ3 LYS 28 8.843 -5.781 -2.136 216 H TYR 29 H TYR 29 4.899 -9.311 3.120 217 HA TYR 29 HA TYR 29 3.144 -9.399 5.338 218 HB2 TYR 29 HB2 TYR 29 5.238 -11.253 4.279 219 HB3 TYR 29 HB1 TYR 29 4.518 -11.578 5.849 220 HD1 TYR 29 HD1 TYR 29 3.691 -11.069 2.244 221 HD2 TYR 29 HD2 TYR 29 2.420 -12.611 5.993 222 HE1 TYR 29 HE1 TYR 29 1.780 -12.126 1.153 223 HE2 TYR 29 HE2 TYR 29 0.504 -13.678 4.914 224 HH TYR 29 HH TYR 29 0.225 -14.088 1.607 225 H TYR 30 H TYR 30 6.651 -9.412 5.166 226 HA TYR 30 HA TYR 30 6.747 -8.386 7.853 227 HB2 TYR 30 HB2 TYR 30 8.988 -9.289 6.002 228 HB3 TYR 30 HB1 TYR 30 9.223 -8.667 7.624 229 HD1 TYR 30 HD1 TYR 30 8.032 -11.527 5.639 230 HD2 TYR 30 HD2 TYR 30 8.827 -10.040 9.539 231 HE1 TYR 30 HE1 TYR 30 7.877 -13.798 6.528 232 HE2 TYR 30 HE2 TYR 30 8.673 -12.309 10.443 233 HH TYR 30 HH TYR 30 7.799 -14.447 9.943 Start of MODEL 13 1 H1 CYS 1 HT1 CYS 1 -8.628 -7.243 -1.156 2 H2 CYS 1 HT2 CYS 1 -9.370 -6.113 -2.166 3 H3 CYS 1 HT3 CYS 1 -9.780 -6.179 -0.523 4 HA CYS 1 HA CYS 1 -8.356 -4.329 -1.023 5 HB2 CYS 1 HB2 CYS 1 -6.560 -4.930 0.677 6 HB3 CYS 1 HB1 CYS 1 -8.225 -5.084 1.213 7 H LYS 2 H LYS 2 -5.997 -3.748 -1.243 8 HA LYS 2 HA LYS 2 -4.926 -4.969 -3.624 9 HB2 LYS 2 HB2 LYS 2 -3.746 -2.783 -1.872 10 HB3 LYS 2 HB1 LYS 2 -3.157 -3.290 -3.424 11 HG2 LYS 2 HG2 LYS 2 -5.869 -2.091 -3.003 12 HG3 LYS 2 HG1 LYS 2 -4.417 -1.187 -3.433 13 HD2 LYS 2 HD2 LYS 2 -4.193 -2.610 -5.448 14 HD3 LYS 2 HD1 LYS 2 -5.742 -3.358 -5.040 15 HE2 LYS 2 HE2 LYS 2 -5.963 -1.550 -6.711 16 HE3 LYS 2 HE1 LYS 2 -6.860 -1.235 -5.227 17 HZ1 LYS 2 HZ1 LYS 2 -5.226 0.303 -4.507 18 HZ2 LYS 2 HZ2 LYS 2 -5.561 0.708 -6.097 19 HZ3 LYS 2 HZ3 LYS 2 -4.145 -0.103 -5.726 20 HA PRO 3 HA PRO 3 -2.365 -7.795 -1.260 21 HB2 PRO 3 HB2 PRO 3 -0.977 -8.811 -3.355 22 HB3 PRO 3 HB1 PRO 3 -2.658 -9.255 -3.040 23 HG2 PRO 3 HG2 PRO 3 -1.560 -7.261 -4.982 24 HG3 PRO 3 HG1 PRO 3 -2.836 -8.472 -5.224 25 HD2 PRO 3 HD2 PRO 3 -3.373 -5.874 -4.747 26 HD3 PRO 3 HD1 PRO 3 -4.430 -7.186 -4.183 27 HA HYP 4 HA HYP 4 1.467 -5.703 -0.417 28 HB2 HYP 4 HB1 HYP 4 2.237 -7.352 0.946 29 HB3 HYP 4 HB2 HYP 4 3.276 -7.793 -0.418 30 HG HYP 4 HG HYP 4 1.894 -9.509 -1.076 31 HD22 HYP 4 HD11 HYP 4 -0.451 -8.362 0.453 32 HD23 HYP 4 HD12 HYP 4 -0.468 -9.224 -1.098 33 HD1 HYP 4 HD2 HYP 4 0.605 -9.990 1.038 34 H GLY 5 H GLY 5 2.526 -4.484 -1.772 35 HA2 GLY 5 HA2 GLY 5 4.224 -4.148 -3.353 36 HA3 GLY 5 HA1 GLY 5 3.819 -5.693 -4.084 37 H SER 6 H SER 6 0.888 -4.710 -3.764 38 HA SER 6 HA SER 6 0.652 -3.620 -6.369 39 HB2 SER 6 HB2 SER 6 -1.209 -4.765 -5.674 40 HB3 SER 6 HB1 SER 6 -1.371 -3.859 -4.124 41 HG SER 6 HG SER 6 -2.183 -2.183 -5.372 42 H LYS 7 H LYS 7 -0.565 -1.791 -6.602 43 HA LYS 7 HA LYS 7 0.864 0.438 -5.310 44 HB2 LYS 7 HB2 LYS 7 0.701 0.562 -7.789 45 HB3 LYS 7 HB1 LYS 7 -1.055 0.620 -7.675 46 HG2 LYS 7 HG2 LYS 7 -0.930 2.761 -6.518 47 HG3 LYS 7 HG1 LYS 7 0.827 2.690 -6.537 48 HD2 LYS 7 HD2 LYS 7 -0.929 2.796 -8.983 49 HD3 LYS 7 HD1 LYS 7 -0.120 4.189 -8.273 50 HE2 LYS 7 HE2 LYS 7 2.057 3.019 -8.641 51 HE3 LYS 7 HE1 LYS 7 1.182 1.746 -9.483 52 HZ1 LYS 7 HZ1 LYS 7 1.296 4.594 -10.263 53 HZ2 LYS 7 HZ2 LYS 7 0.421 3.417 -11.094 54 HZ3 LYS 7 HZ3 LYS 7 2.110 3.344 -11.025 55 H CYS 8 H CYS 8 -0.171 1.967 -4.118 56 HA CYS 8 HA CYS 8 -2.930 1.265 -3.378 57 HB2 CYS 8 HB2 CYS 8 -2.317 1.827 -1.063 58 HB3 CYS 8 HB1 CYS 8 -1.613 0.350 -1.695 59 H SER 9 H SER 9 -3.882 2.862 -1.867 60 HA SER 9 HA SER 9 -3.470 5.542 -2.798 61 HB2 SER 9 HB2 SER 9 -5.765 4.280 -1.412 62 HB3 SER 9 HB1 SER 9 -5.675 5.766 -2.367 63 HG SER 9 HG SER 9 -5.642 3.093 -3.255 64 HA HYP 10 HA HYP 10 -1.680 6.158 1.206 65 HB2 HYP 10 HB1 HYP 10 -0.935 8.287 0.989 66 HB3 HYP 10 HB2 HYP 10 -2.571 8.948 1.154 67 HG HYP 10 HG HYP 10 -1.999 9.345 -1.187 68 HD22 HYP 10 HD11 HYP 10 -3.347 7.399 -2.221 69 HD23 HYP 10 HD12 HYP 10 -4.157 8.160 -0.822 70 HD1 HYP 10 HD2 HYP 10 -1.519 6.750 -1.572 71 H SER 11 H SER 11 -4.711 8.159 1.212 72 HA SER 11 HA SER 11 -4.827 7.760 4.040 73 HB2 SER 11 HB2 SER 11 -6.822 9.305 3.837 74 HB3 SER 11 HB1 SER 11 -5.270 9.953 3.310 75 HG SER 11 HG SER 11 -7.541 9.515 1.902 76 H MET 12 H MET 12 -6.509 6.495 1.259 77 HA MET 12 HA MET 12 -8.718 5.538 2.790 78 HB2 MET 12 HB2 MET 12 -7.849 4.853 -0.002 79 HB3 MET 12 HB1 MET 12 -9.231 4.103 0.778 80 HG2 MET 12 HG2 MET 12 -10.287 6.284 1.020 81 HG3 MET 12 HG1 MET 12 -8.906 7.050 0.242 82 HE1 MET 12 HE1 MET 12 -11.765 4.102 -1.872 83 HE2 MET 12 HE2 MET 12 -11.908 4.571 -0.178 84 HE3 MET 12 3HE MET 12 -10.554 3.577 -0.711 85 H ARG 13 H ARG 13 -5.651 4.333 2.178 86 HA ARG 13 HA ARG 13 -4.574 2.379 2.498 87 HB2 ARG 13 HB2 ARG 13 -4.890 3.036 4.786 88 HB3 ARG 13 HB1 ARG 13 -6.518 2.377 4.767 89 HG2 ARG 13 HG2 ARG 13 -5.537 0.098 4.558 90 HG3 ARG 13 HG1 ARG 13 -3.926 0.814 4.595 91 HD2 ARG 13 HD2 ARG 13 -4.391 1.721 6.817 92 HD3 ARG 13 HD1 ARG 13 -5.987 0.972 6.781 93 HE ARG 13 HE ARG 13 -4.369 -1.114 6.366 94 HH11 ARG 13 HH11 ARG 13 -4.517 1.366 8.854 95 HH12 ARG 13 HH12 ARG 13 -3.727 0.442 10.042 96 HH21 ARG 13 HH21 ARG 13 -3.203 -2.358 7.936 97 HH22 ARG 13 HH22 ARG 13 -2.904 -1.714 9.503 98 H ASP 14 H ASP 14 -5.279 1.479 0.573 99 HA ASP 14 HA ASP 14 -7.603 -0.221 0.697 100 HB2 ASP 14 HB2 ASP 14 -7.337 -0.302 -1.802 101 HB3 ASP 14 HB1 ASP 14 -7.672 1.284 -1.134 102 H CYS 15 H CYS 15 -4.491 -0.619 1.306 103 HA CYS 15 HA CYS 15 -4.158 -3.185 -0.037 104 HB2 CYS 15 HB2 CYS 15 -2.419 -2.098 2.155 105 HB3 CYS 15 HB1 CYS 15 -2.054 -3.328 0.980 106 H CYS 16 H CYS 16 -3.868 -5.123 1.013 107 HA CYS 16 HA CYS 16 -5.682 -5.706 3.070 108 HB2 CYS 16 HB2 CYS 16 -3.272 -7.272 2.168 109 HB3 CYS 16 HB1 CYS 16 -4.679 -7.910 3.016 110 H THR 17 H THR 17 -2.221 -5.041 3.052 111 HA THR 17 HA THR 17 -1.997 -5.441 5.909 112 HB THR 17 HB THR 17 0.405 -4.674 5.375 113 HG1 THR 17 HG1 THR 17 0.920 -4.873 3.118 114 HG21 THR 17 HG21 THR 17 1.037 -6.863 4.415 115 HG22 THR 17 HG22 THR 17 -0.642 -7.158 3.975 116 HG23 THR 17 HG23 THR 17 -0.179 -7.066 5.674 117 H THR 18 H THR 18 -0.593 -2.939 3.915 118 HA THR 18 HA THR 18 -2.302 -0.862 4.520 119 HB THR 18 HB THR 18 -1.234 -1.092 6.773 120 HG1 THR 18 HG1 THR 18 -0.644 1.174 6.899 121 HG21 THR 18 HG21 THR 18 1.295 -0.297 5.317 122 HG22 THR 18 HG22 THR 18 0.981 -1.856 6.079 123 HG23 THR 18 HG23 THR 18 1.111 -0.399 7.068 124 H CYS 19 H CYS 19 -0.962 1.239 3.919 125 HA CYS 19 HA CYS 19 0.288 0.604 1.321 126 HB2 CYS 19 HB2 CYS 19 -1.798 1.822 1.170 127 HB3 CYS 19 HB1 CYS 19 -1.247 3.017 2.335 128 H ILE 20 H ILE 20 2.371 1.133 1.088 129 HA ILE 20 HA ILE 20 3.651 2.876 3.018 130 HB ILE 20 HB ILE 20 4.899 1.590 0.572 131 HG12 ILE 20 HG12 ILE 20 4.504 0.386 3.318 132 HG13 ILE 20 HG11 ILE 20 3.892 -0.199 1.806 133 HG21 ILE 20 HG21 ILE 20 6.985 1.828 1.848 134 HG22 ILE 20 HG22 ILE 20 6.080 2.482 3.207 135 HG23 ILE 20 HG23 ILE 20 6.157 3.383 1.692 136 HD11 ILE 20 HD11 ILE 20 5.819 -1.533 2.559 137 HD12 ILE 20 HD12 ILE 20 6.831 -0.097 2.453 138 HD13 ILE 20 HD13 ILE 20 6.091 -0.763 0.997 139 H SER 21 H SER 21 2.682 4.814 2.458 140 HA SER 21 HA SER 21 2.120 5.674 -0.108 141 HB2 SER 21 HB2 SER 21 2.581 7.352 2.351 142 HB3 SER 21 HB1 SER 21 1.685 7.816 0.901 143 HG SER 21 HG SER 21 0.420 6.956 2.749 144 H TYR 22 H TYR 22 5.139 5.498 1.358 145 HA TYR 22 HA TYR 22 6.636 7.548 0.184 146 HB2 TYR 22 HB2 TYR 22 7.437 5.905 1.909 147 HB3 TYR 22 HB1 TYR 22 7.416 4.679 0.675 148 HD1 TYR 22 HD1 TYR 22 9.165 4.439 -0.925 149 HD2 TYR 22 HD2 TYR 22 9.181 7.727 1.771 150 HE1 TYR 22 HE1 TYR 22 11.465 4.919 -1.550 151 HE2 TYR 22 HE2 TYR 22 11.494 8.229 1.140 152 HH TYR 22 HH TYR 22 13.001 6.869 -1.563 153 H THR 23 H THR 23 6.143 4.231 -0.885 154 HA THR 23 HA THR 23 7.067 4.920 -3.600 155 HB THR 23 HB THR 23 6.505 2.110 -2.669 156 HG1 THR 23 HG1 THR 23 8.620 2.058 -1.838 157 HG21 THR 23 HG21 THR 23 7.130 2.520 -5.023 158 HG22 THR 23 HG22 THR 23 8.377 1.602 -4.181 159 HG23 THR 23 HG23 THR 23 8.605 3.320 -4.486 160 H LYS 24 H LYS 24 4.252 4.580 -1.882 161 HA LYS 24 HA LYS 24 2.076 4.296 -2.264 162 HB2 LYS 24 HB2 LYS 24 2.645 4.358 -5.220 163 HB3 LYS 24 HB1 LYS 24 1.140 4.631 -4.399 164 HG2 LYS 24 HG2 LYS 24 3.504 6.477 -4.188 165 HG3 LYS 24 HG1 LYS 24 2.086 6.737 -5.202 166 HD2 LYS 24 HD2 LYS 24 0.675 6.686 -3.168 167 HD3 LYS 24 HD1 LYS 24 2.148 6.544 -2.202 168 HE2 LYS 24 HE2 LYS 24 2.943 8.658 -3.101 169 HE3 LYS 24 HE1 LYS 24 1.470 8.816 -4.059 170 HZ1 LYS 24 HZ1 LYS 24 1.713 8.876 -1.103 171 HZ2 LYS 24 HZ2 LYS 24 0.256 8.688 -1.904 172 HZ3 LYS 24 HZ3 LYS 24 1.156 10.100 -2.127 173 H ARG 25 H ARG 25 3.657 2.051 -1.864 174 HA ARG 25 HA ARG 25 2.111 0.114 -3.416 175 HB2 ARG 25 HB2 ARG 25 4.946 -0.287 -2.523 176 HB3 ARG 25 HB1 ARG 25 3.968 -1.492 -3.311 177 HG2 ARG 25 HG2 ARG 25 5.011 1.064 -4.532 178 HG3 ARG 25 HG1 ARG 25 5.483 -0.584 -4.939 179 HD2 ARG 25 HD2 ARG 25 3.027 -0.957 -5.612 180 HD3 ARG 25 HD1 ARG 25 2.860 0.756 -5.364 181 HE ARG 25 HE ARG 25 4.788 0.902 -7.045 182 HH11 ARG 25 HH11 ARG 25 2.154 -1.430 -7.217 183 HH12 ARG 25 HH12 ARG 25 1.991 -1.361 -8.906 184 HH21 ARG 25 HH21 ARG 25 4.618 0.979 -9.360 185 HH22 ARG 25 HH22 ARG 25 3.470 0.016 -10.166 186 H CYS 26 H CYS 26 1.839 -1.904 -2.349 187 HA CYS 26 HA CYS 26 0.993 -1.405 0.348 188 HB2 CYS 26 HB2 CYS 26 0.693 -3.840 -1.390 189 HB3 CYS 26 HB1 CYS 26 -0.063 -3.617 0.187 190 H ARG 27 H ARG 27 1.693 -2.279 2.126 191 HA ARG 27 HA ARG 27 4.407 -2.996 2.353 192 HB2 ARG 27 HB2 ARG 27 2.859 -1.862 4.071 193 HB3 ARG 27 HB1 ARG 27 2.251 -3.452 4.366 194 HG2 ARG 27 HG2 ARG 27 4.348 -4.285 5.133 195 HG3 ARG 27 HG1 ARG 27 5.152 -2.769 4.718 196 HD2 ARG 27 HD2 ARG 27 3.886 -1.584 6.374 197 HD3 ARG 27 HD1 ARG 27 2.910 -3.011 6.707 198 HE ARG 27 HE ARG 27 5.521 -3.742 7.154 199 HH11 ARG 27 HH11 ARG 27 3.430 -1.226 8.463 200 HH12 ARG 27 HH12 ARG 27 3.977 -1.410 10.059 201 HH21 ARG 27 HH21 ARG 27 6.298 -3.962 9.363 202 HH22 ARG 27 HH22 ARG 27 5.621 -2.985 10.578 203 H LYS 28 H LYS 28 5.346 -4.928 2.839 204 HA LYS 28 HA LYS 28 3.849 -7.408 2.268 205 HB2 LYS 28 HB2 LYS 28 6.798 -7.008 2.739 206 HB3 LYS 28 HB1 LYS 28 5.984 -8.380 2.039 207 HG2 LYS 28 HG2 LYS 28 5.485 -7.246 0.023 208 HG3 LYS 28 HG1 LYS 28 5.958 -5.695 0.704 209 HD2 LYS 28 HD2 LYS 28 7.715 -6.373 -0.754 210 HD3 LYS 28 HD1 LYS 28 8.300 -6.589 0.881 211 HE2 LYS 28 HE2 LYS 28 7.214 -8.811 -0.865 212 HE3 LYS 28 HE1 LYS 28 8.921 -8.434 -0.690 213 HZ1 LYS 28 HZ1 LYS 28 8.428 -10.238 0.736 214 HZ2 LYS 28 HZ2 LYS 28 7.077 -9.510 1.366 215 HZ3 LYS 28 HZ3 LYS 28 8.590 -8.928 1.779 216 H TYR 29 H TYR 29 4.838 -9.204 3.645 217 HA TYR 29 HA TYR 29 4.350 -8.562 6.441 218 HB2 TYR 29 HB2 TYR 29 5.129 -11.174 5.118 219 HB3 TYR 29 HB1 TYR 29 4.603 -10.988 6.773 220 HD1 TYR 29 HD1 TYR 29 3.606 -11.999 3.605 221 HD2 TYR 29 HD2 TYR 29 2.182 -9.756 6.931 222 HE1 TYR 29 HE1 TYR 29 1.313 -12.399 2.879 223 HE2 TYR 29 HE2 TYR 29 -0.125 -10.152 6.215 224 HH TYR 29 HH TYR 29 -0.958 -12.478 3.966 225 H TYR 30 H TYR 30 6.735 -10.303 4.603 226 HA TYR 30 HA TYR 30 8.906 -8.969 5.928 227 HB2 TYR 30 HB2 TYR 30 8.664 -11.944 5.381 228 HB3 TYR 30 HB1 TYR 30 10.163 -11.146 5.813 229 HD1 TYR 30 HD1 TYR 30 10.389 -10.163 8.082 230 HD2 TYR 30 HD2 TYR 30 7.079 -12.611 7.037 231 HE1 TYR 30 HE1 TYR 30 9.934 -10.535 10.450 232 HE2 TYR 30 HE2 TYR 30 6.607 -12.994 9.406 233 HH TYR 30 HH TYR 30 7.821 -12.938 11.554 Start of MODEL 14 1 H1 CYS 1 HT1 CYS 1 -9.649 -6.178 -0.284 2 H2 CYS 1 HT2 CYS 1 -8.456 -7.295 -0.712 3 H3 CYS 1 HT3 CYS 1 -9.119 -6.307 -1.888 4 HA CYS 1 HA CYS 1 -8.174 -4.394 -0.920 5 HB2 CYS 1 HB2 CYS 1 -6.457 -4.781 0.920 6 HB3 CYS 1 HB1 CYS 1 -8.141 -4.856 1.405 7 H LYS 2 H LYS 2 -5.879 -3.805 -1.159 8 HA LYS 2 HA LYS 2 -4.881 -5.079 -3.492 9 HB2 LYS 2 HB2 LYS 2 -3.558 -2.960 -1.782 10 HB3 LYS 2 HB1 LYS 2 -3.147 -3.416 -3.411 11 HG2 LYS 2 HG2 LYS 2 -5.759 -2.181 -2.625 12 HG3 LYS 2 HG1 LYS 2 -4.356 -1.293 -3.213 13 HD2 LYS 2 HD2 LYS 2 -4.452 -2.682 -5.283 14 HD3 LYS 2 HD1 LYS 2 -5.979 -3.350 -4.697 15 HE2 LYS 2 HE2 LYS 2 -6.959 -1.124 -4.627 16 HE3 LYS 2 HE1 LYS 2 -5.419 -0.422 -5.118 17 HZ1 LYS 2 HZ1 LYS 2 -5.604 -1.636 -7.202 18 HZ2 LYS 2 HZ2 LYS 2 -6.882 -0.573 -6.978 19 HZ3 LYS 2 HZ3 LYS 2 -7.123 -2.225 -6.746 20 HA PRO 3 HA PRO 3 -2.220 -7.921 -1.218 21 HB2 PRO 3 HB2 PRO 3 -1.044 -8.464 -3.857 22 HB3 PRO 3 HB1 PRO 3 -1.911 -9.568 -2.788 23 HG2 PRO 3 HG2 PRO 3 -2.987 -8.705 -5.094 24 HG3 PRO 3 HG1 PRO 3 -3.968 -9.001 -3.653 25 HD2 PRO 3 HD2 PRO 3 -2.984 -6.396 -4.748 26 HD3 PRO 3 HD1 PRO 3 -4.571 -6.852 -4.076 27 HA HYP 4 HA HYP 4 1.603 -5.719 -0.647 28 HB2 HYP 4 HB1 HYP 4 3.151 -7.158 0.213 29 HB3 HYP 4 HB2 HYP 4 3.048 -8.274 -1.161 30 HG HYP 4 HG HYP 4 1.869 -9.396 0.615 31 HD22 HYP 4 HD11 HYP 4 -0.601 -8.720 -0.136 32 HD23 HYP 4 HD12 HYP 4 0.492 -9.390 -1.374 33 HD1 HYP 4 HD2 HYP 4 1.674 -7.100 1.629 34 H GLY 5 H GLY 5 2.738 -4.473 -1.955 35 HA2 GLY 5 HA2 GLY 5 4.239 -4.041 -3.700 36 HA3 GLY 5 HA1 GLY 5 3.731 -5.532 -4.472 37 H SER 6 H SER 6 0.867 -4.624 -3.925 38 HA SER 6 HA SER 6 0.496 -3.394 -6.442 39 HB2 SER 6 HB2 SER 6 -1.289 -4.667 -5.841 40 HB3 SER 6 HB1 SER 6 -1.419 -3.970 -4.187 41 HG SER 6 HG SER 6 -2.336 -2.139 -5.211 42 H LYS 7 H LYS 7 -0.825 -1.632 -6.530 43 HA LYS 7 HA LYS 7 0.525 0.584 -5.125 44 HB2 LYS 7 HB2 LYS 7 -0.501 2.167 -6.740 45 HB3 LYS 7 HB1 LYS 7 0.465 0.929 -7.528 46 HG2 LYS 7 HG2 LYS 7 -1.489 -0.231 -8.268 47 HG3 LYS 7 HG1 LYS 7 -2.535 0.800 -7.294 48 HD2 LYS 7 HD2 LYS 7 -2.566 1.424 -9.685 49 HD3 LYS 7 HD1 LYS 7 -1.964 2.725 -8.660 50 HE2 LYS 7 HE2 LYS 7 0.322 2.174 -9.264 51 HE3 LYS 7 HE1 LYS 7 -0.235 0.805 -10.220 52 HZ1 LYS 7 HZ1 LYS 7 0.269 2.767 -11.572 53 HZ2 LYS 7 HZ2 LYS 7 -0.916 3.654 -10.778 54 HZ3 LYS 7 HZ3 LYS 7 -1.336 2.325 -11.710 55 H CYS 8 H CYS 8 -0.535 2.091 -3.968 56 HA CYS 8 HA CYS 8 -3.352 1.495 -3.372 57 HB2 CYS 8 HB2 CYS 8 -2.689 2.182 -0.985 58 HB3 CYS 8 HB1 CYS 8 -2.363 0.548 -1.544 59 H SER 9 H SER 9 -4.343 3.271 -1.931 60 HA SER 9 HA SER 9 -3.948 5.746 -3.266 61 HB2 SER 9 HB2 SER 9 -5.937 6.313 -2.047 62 HB3 SER 9 HB1 SER 9 -6.144 4.793 -2.923 63 HG SER 9 HG SER 9 -5.850 3.702 -0.965 64 HA HYP 10 HA HYP 10 -2.169 7.250 0.587 65 HB2 HYP 10 HB1 HYP 10 -1.380 9.221 -0.260 66 HB3 HYP 10 HB2 HYP 10 -2.935 9.998 0.044 67 HG HYP 10 HG HYP 10 -2.887 10.013 -2.324 68 HD22 HYP 10 HD11 HYP 10 -4.100 7.748 -2.904 69 HD23 HYP 10 HD12 HYP 10 -4.857 8.767 -1.652 70 HD1 HYP 10 HD2 HYP 10 -2.222 7.748 -3.155 71 H SER 11 H SER 11 -5.288 6.893 0.523 72 HA SER 11 HA SER 11 -5.650 8.168 3.114 73 HB2 SER 11 HB2 SER 11 -6.467 9.799 1.454 74 HB3 SER 11 HB1 SER 11 -7.602 8.601 0.848 75 HG SER 11 HG SER 11 -8.888 9.072 2.396 76 H MET 12 H MET 12 -6.666 5.589 0.859 77 HA MET 12 HA MET 12 -8.814 4.907 2.663 78 HB2 MET 12 HB2 MET 12 -7.954 3.636 0.084 79 HB3 MET 12 HB1 MET 12 -9.262 3.024 1.076 80 HG2 MET 12 HG2 MET 12 -10.398 5.227 0.796 81 HG3 MET 12 HG1 MET 12 -9.129 5.670 -0.345 82 HE1 MET 12 HE1 MET 12 -8.621 2.841 -1.848 83 HE2 MET 12 HE2 MET 12 -8.720 4.396 -2.668 84 HE3 MET 12 3HE MET 12 -9.700 3.043 -3.228 85 H ARG 13 H ARG 13 -5.600 4.034 2.313 86 HA ARG 13 HA ARG 13 -4.352 2.210 2.707 87 HB2 ARG 13 HB2 ARG 13 -4.752 2.993 4.993 88 HB3 ARG 13 HB1 ARG 13 -6.261 2.095 5.009 89 HG2 ARG 13 HG2 ARG 13 -4.991 -0.021 4.903 90 HG3 ARG 13 HG1 ARG 13 -3.483 0.885 4.834 91 HD2 ARG 13 HD2 ARG 13 -3.937 1.789 7.056 92 HD3 ARG 13 HD1 ARG 13 -5.446 0.871 7.122 93 HE ARG 13 HE ARG 13 -3.912 -1.128 6.817 94 HH11 ARG 13 HH11 ARG 13 -3.022 1.768 8.686 95 HH12 ARG 13 HH12 ARG 13 -1.841 0.936 9.599 96 HH21 ARG 13 HH21 ARG 13 -2.287 -2.193 8.080 97 HH22 ARG 13 HH22 ARG 13 -1.445 -1.347 9.286 98 H ASP 14 H ASP 14 -5.487 1.554 0.749 99 HA ASP 14 HA ASP 14 -7.504 -0.419 1.024 100 HB2 ASP 14 HB2 ASP 14 -7.385 -0.434 -1.519 101 HB3 ASP 14 HB1 ASP 14 -7.887 1.063 -0.749 102 H CYS 15 H CYS 15 -4.352 -0.645 1.390 103 HA CYS 15 HA CYS 15 -3.991 -3.211 0.077 104 HB2 CYS 15 HB2 CYS 15 -2.226 -2.053 2.231 105 HB3 CYS 15 HB1 CYS 15 -1.864 -3.303 1.092 106 H CYS 16 H CYS 16 -3.707 -5.126 1.152 107 HA CYS 16 HA CYS 16 -5.403 -5.592 3.343 108 HB2 CYS 16 HB2 CYS 16 -3.132 -7.265 2.306 109 HB3 CYS 16 HB1 CYS 16 -4.459 -7.824 3.321 110 H THR 17 H THR 17 -1.927 -5.027 3.083 111 HA THR 17 HA THR 17 -1.557 -5.423 5.920 112 HB THR 17 HB THR 17 0.838 -4.791 5.310 113 HG1 THR 17 HG1 THR 17 1.279 -4.949 3.021 114 HG21 THR 17 HG21 THR 17 0.132 -7.143 5.555 115 HG22 THR 17 HG22 THR 17 1.309 -6.977 4.252 116 HG23 THR 17 HG23 THR 17 -0.404 -7.155 3.875 117 H THR 18 H THR 18 -0.103 -2.949 3.944 118 HA THR 18 HA THR 18 -1.665 -0.810 4.857 119 HB THR 18 HB THR 18 -0.316 -1.193 6.909 120 HG1 THR 18 HG1 THR 18 0.013 0.864 7.206 121 HG21 THR 18 HG21 THR 18 1.670 -2.187 5.923 122 HG22 THR 18 HG22 THR 18 2.117 -0.776 6.883 123 HG23 THR 18 HG23 THR 18 2.057 -0.665 5.125 124 H CYS 19 H CYS 19 -0.429 1.244 4.092 125 HA CYS 19 HA CYS 19 0.570 0.606 1.389 126 HB2 CYS 19 HB2 CYS 19 -1.570 1.640 1.383 127 HB3 CYS 19 HB1 CYS 19 -1.031 2.954 2.440 128 H ILE 20 H ILE 20 2.641 0.955 1.272 129 HA ILE 20 HA ILE 20 4.099 2.588 3.108 130 HB ILE 20 HB ILE 20 5.025 1.471 0.439 131 HG12 ILE 20 HG12 ILE 20 5.028 0.200 3.185 132 HG13 ILE 20 HG11 ILE 20 4.183 -0.347 1.766 133 HG21 ILE 20 HG21 ILE 20 6.579 2.329 2.882 134 HG22 ILE 20 HG22 ILE 20 6.482 3.197 1.349 135 HG23 ILE 20 HG23 ILE 20 7.270 1.623 1.422 136 HD11 ILE 20 HD11 ILE 20 7.183 -0.278 2.000 137 HD12 ILE 20 HD12 ILE 20 6.247 -0.910 0.643 138 HD13 ILE 20 HD13 ILE 20 6.175 -1.706 2.216 139 H SER 21 H SER 21 3.553 4.668 2.992 140 HA SER 21 HA SER 21 2.475 6.127 0.977 141 HB2 SER 21 HB2 SER 21 4.316 7.142 3.124 142 HB3 SER 21 HB1 SER 21 3.047 8.045 2.289 143 HG SER 21 HG SER 21 1.890 7.375 3.904 144 H TYR 22 H TYR 22 5.874 5.565 1.542 145 HA TYR 22 HA TYR 22 7.088 7.517 -0.018 146 HB2 TYR 22 HB2 TYR 22 8.187 5.914 1.548 147 HB3 TYR 22 HB1 TYR 22 7.973 4.671 0.349 148 HD1 TYR 22 HD1 TYR 22 9.676 7.931 0.889 149 HD2 TYR 22 HD2 TYR 22 9.534 4.334 -1.374 150 HE1 TYR 22 HE1 TYR 22 11.816 8.504 -0.142 151 HE2 TYR 22 HE2 TYR 22 11.686 4.898 -2.414 152 HH TYR 22 HH TYR 22 13.705 7.324 -1.246 153 H THR 23 H THR 23 6.327 4.213 -0.909 154 HA THR 23 HA THR 23 6.796 4.859 -3.740 155 HB THR 23 HB THR 23 6.277 2.096 -2.681 156 HG1 THR 23 HG1 THR 23 8.797 2.333 -2.596 157 HG21 THR 23 HG21 THR 23 8.123 3.205 -4.819 158 HG22 THR 23 HG22 THR 23 6.558 2.458 -5.119 159 HG23 THR 23 HG23 THR 23 7.878 1.497 -4.449 160 H LYS 24 H LYS 24 4.191 4.595 -1.622 161 HA LYS 24 HA LYS 24 2.001 4.214 -1.692 162 HB2 LYS 24 HB2 LYS 24 2.157 4.786 -4.649 163 HB3 LYS 24 HB1 LYS 24 0.749 4.785 -3.639 164 HG2 LYS 24 HG2 LYS 24 3.012 6.711 -3.220 165 HG3 LYS 24 HG1 LYS 24 1.531 7.088 -4.108 166 HD2 LYS 24 HD2 LYS 24 0.212 6.594 -2.090 167 HD3 LYS 24 HD1 LYS 24 1.698 6.228 -1.213 168 HE2 LYS 24 HE2 LYS 24 0.898 8.468 -0.711 169 HE3 LYS 24 HE1 LYS 24 2.457 8.520 -1.525 170 HZ1 LYS 24 HZ1 LYS 24 0.926 10.169 -2.424 171 HZ2 LYS 24 HZ2 LYS 24 -0.186 8.964 -2.789 172 HZ3 LYS 24 HZ3 LYS 24 1.292 9.015 -3.593 173 H ARG 25 H ARG 25 3.475 2.027 -1.692 174 HA ARG 25 HA ARG 25 1.853 0.261 -3.332 175 HB2 ARG 25 HB2 ARG 25 4.767 -0.188 -2.689 176 HB3 ARG 25 HB1 ARG 25 3.733 -1.331 -3.504 177 HG2 ARG 25 HG2 ARG 25 4.610 1.352 -4.563 178 HG3 ARG 25 HG1 ARG 25 5.130 -0.234 -5.132 179 HD2 ARG 25 HD2 ARG 25 2.666 -0.681 -5.679 180 HD3 ARG 25 HD1 ARG 25 2.426 1.002 -5.281 181 HE ARG 25 HE ARG 25 3.958 1.587 -7.068 182 HH11 ARG 25 HH11 ARG 25 2.538 -1.652 -7.219 183 HH12 ARG 25 HH12 ARG 25 2.445 -1.680 -8.913 184 HH21 ARG 25 HH21 ARG 25 3.851 1.541 -9.390 185 HH22 ARG 25 HH22 ARG 25 3.197 0.182 -10.187 186 H CYS 26 H CYS 26 1.728 -1.895 -2.416 187 HA CYS 26 HA CYS 26 1.040 -1.584 0.343 188 HB2 CYS 26 HB2 CYS 26 0.718 -3.920 -1.518 189 HB3 CYS 26 HB1 CYS 26 0.006 -3.791 0.095 190 H ARG 27 H ARG 27 1.975 -2.372 2.014 191 HA ARG 27 HA ARG 27 4.680 -3.130 1.974 192 HB2 ARG 27 HB2 ARG 27 3.392 -2.018 3.862 193 HB3 ARG 27 HB1 ARG 27 2.710 -3.580 4.174 194 HG2 ARG 27 HG2 ARG 27 4.872 -4.566 4.598 195 HG3 ARG 27 HG1 ARG 27 5.651 -3.022 4.265 196 HD2 ARG 27 HD2 ARG 27 4.730 -2.042 6.188 197 HD3 ARG 27 HD1 ARG 27 3.610 -3.381 6.433 198 HE ARG 27 HE ARG 27 6.300 -4.244 6.410 199 HH11 ARG 27 HH11 ARG 27 4.168 -2.421 8.491 200 HH12 ARG 27 HH12 ARG 27 4.593 -3.175 9.949 201 HH21 ARG 27 HH21 ARG 27 6.970 -5.334 8.392 202 HH22 ARG 27 HH22 ARG 27 6.223 -4.954 9.876 203 H LYS 28 H LYS 28 5.649 -5.091 2.536 204 HA LYS 28 HA LYS 28 4.351 -7.515 1.664 205 HB2 LYS 28 HB2 LYS 28 6.932 -7.242 3.164 206 HB3 LYS 28 HB1 LYS 28 6.431 -8.547 2.131 207 HG2 LYS 28 HG2 LYS 28 6.565 -7.141 0.159 208 HG3 LYS 28 HG1 LYS 28 7.023 -5.764 1.157 209 HD2 LYS 28 HD2 LYS 28 8.602 -8.321 0.870 210 HD3 LYS 28 HD1 LYS 28 8.956 -6.811 0.035 211 HE2 LYS 28 HE2 LYS 28 9.278 -5.713 2.235 212 HE3 LYS 28 HE1 LYS 28 8.994 -7.266 3.017 213 HZ1 LYS 28 HZ1 LYS 28 11.234 -6.638 1.170 214 HZ2 LYS 28 HZ2 LYS 28 10.894 -8.149 1.794 215 HZ3 LYS 28 HZ3 LYS 28 11.331 -6.902 2.838 216 H TYR 29 H TYR 29 4.708 -9.393 3.158 217 HA TYR 29 HA TYR 29 3.299 -8.887 5.622 218 HB2 TYR 29 HB2 TYR 29 4.480 -11.407 4.450 219 HB3 TYR 29 HB1 TYR 29 3.532 -11.355 5.921 220 HD1 TYR 29 HD1 TYR 29 1.127 -10.113 5.524 221 HD2 TYR 29 HD2 TYR 29 3.423 -12.076 2.536 222 HE1 TYR 29 HE1 TYR 29 -0.903 -10.439 4.188 223 HE2 TYR 29 HE2 TYR 29 1.401 -12.397 1.188 224 HH TYR 29 HH TYR 29 -1.520 -10.834 1.774 225 H TYR 30 H TYR 30 6.305 -10.502 4.760 226 HA TYR 30 HA TYR 30 7.557 -9.445 7.132 227 HB2 TYR 30 HB2 TYR 30 7.893 -12.171 5.871 228 HB3 TYR 30 HB1 TYR 30 9.016 -11.518 7.051 229 HD1 TYR 30 HD1 TYR 30 5.557 -12.704 6.537 230 HD2 TYR 30 HD2 TYR 30 8.507 -11.562 9.375 231 HE1 TYR 30 HE1 TYR 30 4.185 -13.631 8.338 232 HE2 TYR 30 HE2 TYR 30 7.137 -12.490 11.179 233 HH TYR 30 HH TYR 30 4.496 -14.505 10.562 Start of MODEL 15 1 H1 CYS 1 HT1 CYS 1 -9.431 -6.525 -0.076 2 H2 CYS 1 HT2 CYS 1 -8.271 -7.587 -0.667 3 H3 CYS 1 HT3 CYS 1 -9.101 -6.605 -1.740 4 HA CYS 1 HA CYS 1 -8.065 -4.640 -0.673 5 HB2 CYS 1 HB2 CYS 1 -6.267 -5.014 0.858 6 HB3 CYS 1 HB1 CYS 1 -7.690 -5.825 1.491 7 H LYS 2 H LYS 2 -5.695 -4.184 -1.053 8 HA LYS 2 HA LYS 2 -4.881 -5.477 -3.514 9 HB2 LYS 2 HB2 LYS 2 -3.665 -3.189 -1.997 10 HB3 LYS 2 HB1 LYS 2 -3.119 -3.757 -3.555 11 HG2 LYS 2 HG2 LYS 2 -5.779 -2.470 -2.945 12 HG3 LYS 2 HG1 LYS 2 -4.450 -1.774 -3.867 13 HD2 LYS 2 HD2 LYS 2 -4.713 -3.637 -5.518 14 HD3 LYS 2 HD1 LYS 2 -6.149 -4.146 -4.628 15 HE2 LYS 2 HE2 LYS 2 -5.733 -1.491 -5.988 16 HE3 LYS 2 HE1 LYS 2 -6.767 -2.791 -6.552 17 HZ1 LYS 2 HZ1 LYS 2 -7.146 -1.205 -4.054 18 HZ2 LYS 2 HZ2 LYS 2 -8.132 -2.496 -4.556 19 HZ3 LYS 2 HZ3 LYS 2 -8.030 -1.098 -5.489 20 HA PRO 3 HA PRO 3 -1.885 -8.006 -1.396 21 HB2 PRO 3 HB2 PRO 3 -0.557 -8.950 -3.531 22 HB3 PRO 3 HB1 PRO 3 -2.227 -9.435 -3.210 23 HG2 PRO 3 HG2 PRO 3 -1.188 -7.381 -5.122 24 HG3 PRO 3 HG1 PRO 3 -2.438 -8.610 -5.383 25 HD2 PRO 3 HD2 PRO 3 -2.999 -6.005 -4.798 26 HD3 PRO 3 HD1 PRO 3 -4.065 -7.357 -4.358 27 HA HYP 4 HA HYP 4 1.966 -5.833 -0.786 28 HB2 HYP 4 HB1 HYP 4 3.244 -7.461 0.111 29 HB3 HYP 4 HB2 HYP 4 3.755 -7.919 -1.513 30 HG HYP 4 HG HYP 4 2.296 -9.663 -1.605 31 HD22 HYP 4 HD11 HYP 4 0.307 -8.296 0.212 32 HD23 HYP 4 HD12 HYP 4 -0.011 -9.270 -1.242 33 HD1 HYP 4 HD2 HYP 4 1.589 -10.381 0.370 34 H GLY 5 H GLY 5 3.073 -4.482 -1.963 35 HA2 GLY 5 HA2 GLY 5 4.452 -3.745 -3.634 36 HA3 GLY 5 HA1 GLY 5 4.209 -5.259 -4.465 37 H SER 6 H SER 6 1.176 -4.561 -3.981 38 HA SER 6 HA SER 6 0.822 -3.381 -6.536 39 HB2 SER 6 HB2 SER 6 -0.941 -4.712 -5.909 40 HB3 SER 6 HB1 SER 6 -1.170 -3.918 -4.310 41 HG SER 6 HG SER 6 -2.169 -2.282 -5.409 42 H LYS 7 H LYS 7 -0.518 -1.654 -6.660 43 HA LYS 7 HA LYS 7 0.685 0.617 -5.215 44 HB2 LYS 7 HB2 LYS 7 -0.355 2.090 -6.938 45 HB3 LYS 7 HB1 LYS 7 0.716 0.893 -7.643 46 HG2 LYS 7 HG2 LYS 7 -1.275 -0.478 -8.195 47 HG3 LYS 7 HG1 LYS 7 -2.280 0.828 -7.583 48 HD2 LYS 7 HD2 LYS 7 -1.369 2.346 -9.235 49 HD3 LYS 7 HD1 LYS 7 -0.299 1.075 -9.829 50 HE2 LYS 7 HE2 LYS 7 -2.279 -0.275 -10.411 51 HE3 LYS 7 HE1 LYS 7 -3.305 1.056 -9.883 52 HZ1 LYS 7 HZ1 LYS 7 -2.977 1.081 -12.278 53 HZ2 LYS 7 HZ2 LYS 7 -1.319 1.174 -12.067 54 HZ3 LYS 7 HZ3 LYS 7 -2.291 2.449 -11.576 55 H CYS 8 H CYS 8 -0.621 2.050 -4.065 56 HA CYS 8 HA CYS 8 -3.327 0.980 -3.586 57 HB2 CYS 8 HB2 CYS 8 -2.915 1.633 -1.162 58 HB3 CYS 8 HB1 CYS 8 -2.208 0.143 -1.767 59 H SER 9 H SER 9 -4.632 2.460 -2.149 60 HA SER 9 HA SER 9 -4.741 4.924 -3.385 61 HB2 SER 9 HB2 SER 9 -6.472 5.267 -1.673 62 HB3 SER 9 HB1 SER 9 -6.764 3.912 -2.774 63 HG SER 9 HG SER 9 -6.072 2.513 -1.131 64 HA HYP 10 HA HYP 10 -1.498 6.813 -1.100 65 HB2 HYP 10 HB1 HYP 10 -1.374 8.683 -2.377 66 HB3 HYP 10 HB2 HYP 10 -2.735 9.389 -1.493 67 HG HYP 10 HG HYP 10 -3.681 9.109 -3.674 68 HD22 HYP 10 HD11 HYP 10 -4.845 6.796 -3.405 69 HD23 HYP 10 HD12 HYP 10 -4.972 7.877 -1.992 70 HD1 HYP 10 HD2 HYP 10 -3.215 6.714 -4.300 71 H SER 11 H SER 11 -1.665 6.284 0.982 72 HA SER 11 HA SER 11 -1.865 6.549 3.194 73 HB2 SER 11 HB2 SER 11 -3.150 9.223 2.576 74 HB3 SER 11 HB1 SER 11 -2.453 8.735 4.120 75 HG SER 11 HG SER 11 -0.737 9.617 3.332 76 H MET 12 H MET 12 -4.381 5.875 1.259 77 HA MET 12 HA MET 12 -6.474 6.156 3.267 78 HB2 MET 12 HB2 MET 12 -6.692 4.983 0.503 79 HB3 MET 12 HB1 MET 12 -8.015 5.458 1.549 80 HG2 MET 12 HG2 MET 12 -6.003 7.277 0.274 81 HG3 MET 12 HG1 MET 12 -7.674 7.075 -0.226 82 HE1 MET 12 HE1 MET 12 -9.041 6.905 2.767 83 HE2 MET 12 HE2 MET 12 -9.756 7.804 1.428 84 HE3 MET 12 3HE MET 12 -9.508 8.591 2.984 85 H ARG 13 H ARG 13 -4.490 3.869 1.825 86 HA ARG 13 HA ARG 13 -3.922 1.743 2.207 87 HB2 ARG 13 HB2 ARG 13 -3.567 2.504 4.426 88 HB3 ARG 13 HB1 ARG 13 -5.285 2.348 4.755 89 HG2 ARG 13 HG2 ARG 13 -5.000 -0.150 4.422 90 HG3 ARG 13 HG1 ARG 13 -3.263 0.140 4.309 91 HD2 ARG 13 HD2 ARG 13 -3.847 -0.559 6.568 92 HD3 ARG 13 HD1 ARG 13 -3.316 1.125 6.574 93 HE ARG 13 HE ARG 13 -6.127 0.878 6.250 94 HH11 ARG 13 HH11 ARG 13 -3.626 0.875 8.732 95 HH12 ARG 13 HH12 ARG 13 -4.668 1.352 9.985 96 HH21 ARG 13 HH21 ARG 13 -7.549 1.507 7.907 97 HH22 ARG 13 HH22 ARG 13 -6.994 1.724 9.501 98 H ASP 14 H ASP 14 -5.153 0.899 0.541 99 HA ASP 14 HA ASP 14 -7.476 -0.615 1.436 100 HB2 ASP 14 HB2 ASP 14 -8.053 -0.815 -0.953 101 HB3 ASP 14 HB1 ASP 14 -8.009 0.864 -0.429 102 H CYS 15 H CYS 15 -4.579 -1.044 1.650 103 HA CYS 15 HA CYS 15 -4.176 -3.641 0.312 104 HB2 CYS 15 HB2 CYS 15 -2.371 -2.296 2.304 105 HB3 CYS 15 HB1 CYS 15 -1.926 -3.518 1.147 106 H CYS 16 H CYS 16 -4.020 -5.526 1.604 107 HA CYS 16 HA CYS 16 -5.414 -5.506 4.083 108 HB2 CYS 16 HB2 CYS 16 -3.739 -7.593 2.756 109 HB3 CYS 16 HB1 CYS 16 -4.366 -7.859 4.373 110 H THR 17 H THR 17 -2.038 -5.133 3.347 111 HA THR 17 HA THR 17 -1.306 -5.461 6.122 112 HB THR 17 HB THR 17 0.979 -4.792 5.223 113 HG1 THR 17 HG1 THR 17 1.106 -4.892 2.878 114 HG21 THR 17 HG21 THR 17 0.336 -7.164 5.492 115 HG22 THR 17 HG22 THR 17 1.346 -6.943 4.062 116 HG23 THR 17 HG23 THR 17 -0.399 -7.139 3.886 117 H THR 18 H THR 18 -0.161 -2.982 3.979 118 HA THR 18 HA THR 18 -1.751 -0.923 4.911 119 HB THR 18 HB THR 18 -0.296 -1.203 6.930 120 HG1 THR 18 HG1 THR 18 -0.641 0.833 7.103 121 HG21 THR 18 HG21 THR 18 1.779 -1.915 5.848 122 HG22 THR 18 HG22 THR 18 2.065 -0.466 6.820 123 HG23 THR 18 HG23 THR 18 1.929 -0.343 5.067 124 H CYS 19 H CYS 19 -0.982 1.087 3.950 125 HA CYS 19 HA CYS 19 0.249 0.577 1.326 126 HB2 CYS 19 HB2 CYS 19 -2.009 1.451 1.306 127 HB3 CYS 19 HB1 CYS 19 -1.579 2.768 2.395 128 H ILE 20 H ILE 20 2.227 1.287 1.150 129 HA ILE 20 HA ILE 20 3.386 2.948 3.217 130 HB ILE 20 HB ILE 20 4.630 1.865 0.658 131 HG12 ILE 20 HG12 ILE 20 4.024 -0.006 2.197 132 HG13 ILE 20 HG11 ILE 20 5.764 0.207 2.140 133 HG21 ILE 20 HG21 ILE 20 5.978 3.132 3.040 134 HG22 ILE 20 HG22 ILE 20 5.799 3.847 1.440 135 HG23 ILE 20 HG23 ILE 20 6.802 2.411 1.656 136 HD11 ILE 20 HD11 ILE 20 3.911 1.138 4.319 137 HD12 ILE 20 HD12 ILE 20 5.645 1.417 4.272 138 HD13 ILE 20 HD13 ILE 20 5.023 -0.233 4.383 139 H SER 21 H SER 21 2.514 4.915 3.097 140 HA SER 21 HA SER 21 1.347 6.248 1.123 141 HB2 SER 21 HB2 SER 21 2.955 7.507 3.328 142 HB3 SER 21 HB1 SER 21 1.536 8.177 2.516 143 HG SER 21 HG SER 21 0.789 7.236 4.364 144 H TYR 22 H TYR 22 4.829 6.366 1.749 145 HA TYR 22 HA TYR 22 5.543 8.566 0.190 146 HB2 TYR 22 HB2 TYR 22 6.974 7.288 1.795 147 HB3 TYR 22 HB1 TYR 22 7.113 6.036 0.592 148 HD1 TYR 22 HD1 TYR 22 7.806 9.650 1.092 149 HD2 TYR 22 HD2 TYR 22 8.845 6.086 -0.981 150 HE1 TYR 22 HE1 TYR 22 9.769 10.775 0.158 151 HE2 TYR 22 HE2 TYR 22 10.801 7.200 -1.931 152 HH TYR 22 HH TYR 22 11.588 9.525 -2.403 153 H THR 23 H THR 23 5.692 5.163 -0.683 154 HA THR 23 HA THR 23 6.107 5.828 -3.497 155 HB THR 23 HB THR 23 6.048 3.070 -2.274 156 HG1 THR 23 HG1 THR 23 8.541 4.066 -2.453 157 HG21 THR 23 HG21 THR 23 7.702 2.615 -4.048 158 HG22 THR 23 HG22 THR 23 7.599 4.301 -4.562 159 HG23 THR 23 HG23 THR 23 6.203 3.244 -4.740 160 H LYS 24 H LYS 24 3.575 5.035 -1.437 161 HA LYS 24 HA LYS 24 1.509 4.265 -1.528 162 HB2 LYS 24 HB2 LYS 24 1.561 5.245 -4.370 163 HB3 LYS 24 HB1 LYS 24 0.153 4.968 -3.386 164 HG2 LYS 24 HG2 LYS 24 0.436 6.778 -2.042 165 HG3 LYS 24 HG1 LYS 24 2.186 6.778 -2.228 166 HD2 LYS 24 HD2 LYS 24 1.954 7.586 -4.449 167 HD3 LYS 24 HD1 LYS 24 0.185 7.666 -4.291 168 HE2 LYS 24 HE2 LYS 24 1.210 9.892 -3.916 169 HE3 LYS 24 HE1 LYS 24 0.474 9.297 -2.430 170 HZ1 LYS 24 HZ1 LYS 24 2.678 10.271 -2.057 171 HZ2 LYS 24 HZ2 LYS 24 3.374 9.142 -3.077 172 HZ3 LYS 24 HZ3 LYS 24 2.657 8.642 -1.638 173 H ARG 25 H ARG 25 3.018 2.307 -1.524 174 HA ARG 25 HA ARG 25 1.830 0.400 -3.390 175 HB2 ARG 25 HB2 ARG 25 4.652 0.225 -2.321 176 HB3 ARG 25 HB1 ARG 25 3.868 -0.942 -3.351 177 HG2 ARG 25 HG2 ARG 25 4.677 1.852 -4.100 178 HG3 ARG 25 HG1 ARG 25 5.388 0.348 -4.682 179 HD2 ARG 25 HD2 ARG 25 3.048 -0.184 -5.630 180 HD3 ARG 25 HD1 ARG 25 2.661 1.462 -5.207 181 HE ARG 25 HE ARG 25 4.795 0.784 -7.087 182 HH11 ARG 25 HH11 ARG 25 2.224 2.988 -6.005 183 HH12 ARG 25 HH12 ARG 25 2.219 3.912 -7.425 184 HH21 ARG 25 HH21 ARG 25 4.773 2.098 -9.084 185 HH22 ARG 25 HH22 ARG 25 3.692 3.412 -9.185 186 H CYS 26 H CYS 26 1.813 -1.802 -2.441 187 HA CYS 26 HA CYS 26 0.936 -1.495 0.304 188 HB2 CYS 26 HB2 CYS 26 0.590 -3.784 -1.629 189 HB3 CYS 26 HB1 CYS 26 -0.061 -3.736 0.006 190 H ARG 27 H ARG 27 1.887 -2.330 1.934 191 HA ARG 27 HA ARG 27 4.553 -3.244 1.814 192 HB2 ARG 27 HB2 ARG 27 3.322 -2.030 3.709 193 HB3 ARG 27 HB1 ARG 27 2.584 -3.549 4.033 194 HG2 ARG 27 HG2 ARG 27 4.633 -4.633 4.561 195 HG3 ARG 27 HG1 ARG 27 5.560 -3.202 4.115 196 HD2 ARG 27 HD2 ARG 27 4.679 -1.974 5.909 197 HD3 ARG 27 HD1 ARG 27 3.473 -3.205 6.276 198 HE ARG 27 HE ARG 27 5.901 -4.466 6.417 199 HH11 ARG 27 HH11 ARG 27 4.526 -1.714 8.177 200 HH12 ARG 27 HH12 ARG 27 5.093 -2.221 9.685 201 HH21 ARG 27 HH21 ARG 27 6.684 -5.145 8.482 202 HH22 ARG 27 HH22 ARG 27 6.384 -4.214 9.879 203 H LYS 28 H LYS 28 5.307 -5.375 2.471 204 HA LYS 28 HA LYS 28 3.374 -7.490 1.975 205 HB2 LYS 28 HB2 LYS 28 5.383 -8.995 2.393 206 HB3 LYS 28 HB1 LYS 28 5.277 -8.170 0.866 207 HG2 LYS 28 HG2 LYS 28 6.931 -6.522 1.761 208 HG3 LYS 28 HG1 LYS 28 6.978 -7.446 3.268 209 HD2 LYS 28 HD2 LYS 28 7.812 -9.385 2.079 210 HD3 LYS 28 HD1 LYS 28 7.676 -8.536 0.540 211 HE2 LYS 28 HE2 LYS 28 9.991 -8.604 1.381 212 HE3 LYS 28 HE1 LYS 28 9.374 -6.959 1.239 213 HZ1 LYS 28 HZ1 LYS 28 9.372 -8.486 3.781 214 HZ2 LYS 28 HZ2 LYS 28 9.114 -6.828 3.576 215 HZ3 LYS 28 HZ3 LYS 28 10.644 -7.473 3.332 216 H TYR 29 H TYR 29 3.675 -9.439 3.253 217 HA TYR 29 HA TYR 29 2.751 -8.822 5.911 218 HB2 TYR 29 HB2 TYR 29 3.201 -11.366 4.405 219 HB3 TYR 29 HB1 TYR 29 2.865 -11.403 6.117 220 HD1 TYR 29 HD1 TYR 29 1.496 -10.774 2.762 221 HD2 TYR 29 HD2 TYR 29 0.612 -10.790 6.931 222 HE1 TYR 29 HE1 TYR 29 -0.905 -10.722 2.251 223 HE2 TYR 29 HE2 TYR 29 -1.778 -10.728 6.437 224 HH TYR 29 HH TYR 29 -3.266 -10.136 4.694 225 H TYR 30 H TYR 30 5.468 -10.507 4.561 226 HA TYR 30 HA TYR 30 6.809 -10.302 7.107 227 HB2 TYR 30 HB2 TYR 30 7.494 -11.981 4.680 228 HB3 TYR 30 HB1 TYR 30 8.399 -11.980 6.191 229 HD1 TYR 30 HD1 TYR 30 5.363 -13.098 4.500 230 HD2 TYR 30 HD2 TYR 30 7.442 -12.971 8.196 231 HE1 TYR 30 HE1 TYR 30 3.850 -14.804 5.389 232 HE2 TYR 30 HE2 TYR 30 5.945 -14.680 9.108 233 HH TYR 30 HH TYR 30 3.679 -15.466 8.690 Start of MODEL 16 1 H1 CYS 1 HT1 CYS 1 -9.469 -6.178 -1.537 2 H2 CYS 1 HT2 CYS 1 -9.668 -6.465 0.122 3 H3 CYS 1 HT3 CYS 1 -8.669 -7.467 -0.809 4 HA CYS 1 HA CYS 1 -8.186 -4.609 -0.360 5 HB2 CYS 1 HB2 CYS 1 -6.262 -5.443 0.990 6 HB3 CYS 1 HB1 CYS 1 -7.826 -5.692 1.732 7 H LYS 2 H LYS 2 -5.927 -4.100 -0.901 8 HA LYS 2 HA LYS 2 -5.268 -5.280 -3.462 9 HB2 LYS 2 HB2 LYS 2 -3.881 -3.001 -2.026 10 HB3 LYS 2 HB1 LYS 2 -3.641 -3.489 -3.689 11 HG2 LYS 2 HG2 LYS 2 -6.169 -2.371 -2.530 12 HG3 LYS 2 HG1 LYS 2 -5.019 -1.517 -3.552 13 HD2 LYS 2 HD2 LYS 2 -5.487 -3.100 -5.370 14 HD3 LYS 2 HD1 LYS 2 -6.646 -3.935 -4.335 15 HE2 LYS 2 HE2 LYS 2 -7.969 -1.896 -4.165 16 HE3 LYS 2 HE1 LYS 2 -6.814 -1.060 -5.199 17 HZ1 LYS 2 HZ1 LYS 2 -8.453 -3.401 -5.984 18 HZ2 LYS 2 HZ2 LYS 2 -7.362 -2.594 -6.974 19 HZ3 LYS 2 HZ3 LYS 2 -8.743 -1.803 -6.432 20 HA PRO 3 HA PRO 3 -2.335 -8.114 -1.847 21 HB2 PRO 3 HB2 PRO 3 -0.910 -8.560 -4.130 22 HB3 PRO 3 HB1 PRO 3 -2.531 -9.218 -3.869 23 HG2 PRO 3 HG2 PRO 3 -1.703 -6.766 -5.373 24 HG3 PRO 3 HG1 PRO 3 -2.848 -8.033 -5.856 25 HD2 PRO 3 HD2 PRO 3 -3.692 -5.698 -4.868 26 HD3 PRO 3 HD1 PRO 3 -4.526 -7.215 -4.471 27 HA HYP 4 HA HYP 4 1.366 -5.890 -0.719 28 HB2 HYP 4 HB1 HYP 4 2.541 -7.496 0.397 29 HB3 HYP 4 HB2 HYP 4 3.104 -8.165 -1.143 30 HG HYP 4 HG HYP 4 1.811 -9.952 -0.474 31 HD22 HYP 4 HD11 HYP 4 -0.691 -9.251 -1.174 32 HD23 HYP 4 HD12 HYP 4 0.586 -9.328 -2.410 33 HD1 HYP 4 HD2 HYP 4 0.479 -9.887 1.040 34 H GLY 5 H GLY 5 2.417 -4.510 -1.944 35 HA2 GLY 5 HA2 GLY 5 4.048 -3.969 -3.529 36 HA3 GLY 5 HA1 GLY 5 3.673 -5.440 -4.403 37 H SER 6 H SER 6 0.712 -4.599 -3.885 38 HA SER 6 HA SER 6 0.342 -3.314 -6.374 39 HB2 SER 6 HB2 SER 6 -1.447 -4.572 -5.735 40 HB3 SER 6 HB1 SER 6 -1.553 -3.861 -4.081 41 HG SER 6 HG SER 6 -2.463 -2.061 -5.090 42 H LYS 7 H LYS 7 -0.950 -1.524 -6.401 43 HA LYS 7 HA LYS 7 0.512 0.664 -5.069 44 HB2 LYS 7 HB2 LYS 7 -1.598 0.896 -7.236 45 HB3 LYS 7 HB1 LYS 7 -0.613 2.216 -6.625 46 HG2 LYS 7 HG2 LYS 7 1.401 0.984 -7.457 47 HG3 LYS 7 HG1 LYS 7 0.307 -0.163 -8.227 48 HD2 LYS 7 HD2 LYS 7 0.406 2.808 -8.754 49 HD3 LYS 7 HD1 LYS 7 1.103 1.564 -9.784 50 HE2 LYS 7 HE2 LYS 7 -1.098 0.648 -10.215 51 HE3 LYS 7 HE1 LYS 7 -1.829 1.812 -9.109 52 HZ1 LYS 7 HZ1 LYS 7 -1.076 3.592 -10.546 53 HZ2 LYS 7 HZ2 LYS 7 -2.053 2.521 -11.397 54 HZ3 LYS 7 HZ3 LYS 7 -0.382 2.481 -11.611 55 H CYS 8 H CYS 8 -0.573 2.190 -3.787 56 HA CYS 8 HA CYS 8 -3.224 1.243 -2.959 57 HB2 CYS 8 HB2 CYS 8 -2.688 2.312 -0.729 58 HB3 CYS 8 HB1 CYS 8 -1.943 0.775 -1.121 59 H SER 9 H SER 9 -4.646 2.692 -1.998 60 HA SER 9 HA SER 9 -5.047 4.985 -3.558 61 HB2 SER 9 HB2 SER 9 -6.963 5.177 -1.984 62 HB3 SER 9 HB1 SER 9 -6.897 3.647 -2.876 63 HG SER 9 HG SER 9 -6.124 2.665 -1.048 64 HA HYP 10 HA HYP 10 -2.793 7.955 -1.250 65 HB2 HYP 10 HB1 HYP 10 -3.311 9.739 -2.561 66 HB3 HYP 10 HB2 HYP 10 -4.698 10.061 -1.517 67 HG HYP 10 HG HYP 10 -5.874 9.539 -3.481 68 HD22 HYP 10 HD11 HYP 10 -6.032 6.879 -3.455 69 HD23 HYP 10 HD12 HYP 10 -6.477 7.737 -1.965 70 HD1 HYP 10 HD2 HYP 10 -4.827 7.650 -4.683 71 H SER 11 H SER 11 -2.814 7.240 0.812 72 HA SER 11 HA SER 11 -3.068 7.317 3.029 73 HB2 SER 11 HB2 SER 11 -4.868 9.692 2.519 74 HB3 SER 11 HB1 SER 11 -4.089 9.283 4.053 75 HG SER 11 HG SER 11 -2.441 10.356 3.351 76 H MET 12 H MET 12 -5.318 6.132 1.139 77 HA MET 12 HA MET 12 -7.428 5.955 3.145 78 HB2 MET 12 HB2 MET 12 -7.367 4.923 0.310 79 HB3 MET 12 HB1 MET 12 -8.733 4.746 1.395 80 HG2 MET 12 HG2 MET 12 -9.013 7.137 1.489 81 HG3 MET 12 HG1 MET 12 -7.574 7.367 0.494 82 HE1 MET 12 HE1 MET 12 -9.007 8.924 -1.115 83 HE2 MET 12 HE2 MET 12 -10.429 8.653 -0.109 84 HE3 MET 12 3HE MET 12 -10.526 8.425 -1.856 85 H ARG 13 H ARG 13 -4.970 4.137 1.785 86 HA ARG 13 HA ARG 13 -4.023 2.129 2.195 87 HB2 ARG 13 HB2 ARG 13 -3.783 3.102 4.362 88 HB3 ARG 13 HB1 ARG 13 -5.425 2.638 4.763 89 HG2 ARG 13 HG2 ARG 13 -4.678 0.262 4.617 90 HG3 ARG 13 HG1 ARG 13 -3.020 0.841 4.393 91 HD2 ARG 13 HD2 ARG 13 -4.810 1.353 6.752 92 HD3 ARG 13 HD1 ARG 13 -3.433 0.251 6.726 93 HE ARG 13 HE ARG 13 -2.278 2.545 6.061 94 HH11 ARG 13 HH11 ARG 13 -4.648 1.896 8.598 95 HH12 ARG 13 HH12 ARG 13 -4.030 3.054 9.679 96 HH21 ARG 13 HH21 ARG 13 -1.408 4.150 7.532 97 HH22 ARG 13 HH22 ARG 13 -2.125 4.362 9.057 98 H ASP 14 H ASP 14 -5.240 1.094 0.571 99 HA ASP 14 HA ASP 14 -7.542 -0.498 1.402 100 HB2 ASP 14 HB2 ASP 14 -7.957 -0.659 -1.046 101 HB3 ASP 14 HB1 ASP 14 -8.040 0.982 -0.420 102 H CYS 15 H CYS 15 -4.599 -1.051 1.675 103 HA CYS 15 HA CYS 15 -4.143 -3.325 -0.065 104 HB2 CYS 15 HB2 CYS 15 -2.453 -2.351 2.240 105 HB3 CYS 15 HB1 CYS 15 -1.999 -3.495 1.013 106 H CYS 16 H CYS 16 -3.362 -5.369 0.935 107 HA CYS 16 HA CYS 16 -5.166 -6.272 2.957 108 HB2 CYS 16 HB2 CYS 16 -2.774 -7.608 1.698 109 HB3 CYS 16 HB1 CYS 16 -3.968 -8.413 2.706 110 H THR 17 H THR 17 -1.806 -5.310 2.793 111 HA THR 17 HA THR 17 -1.422 -5.902 5.606 112 HB THR 17 HB THR 17 0.939 -5.107 5.071 113 HG1 THR 17 HG1 THR 17 1.362 -5.153 2.720 114 HG21 THR 17 HG21 THR 17 -0.153 -7.425 3.443 115 HG22 THR 17 HG22 THR 17 0.359 -7.509 5.129 116 HG23 THR 17 HG23 THR 17 1.543 -7.180 3.862 117 H THR 18 H THR 18 -0.089 -3.244 3.794 118 HA THR 18 HA THR 18 -1.775 -1.230 4.760 119 HB THR 18 HB THR 18 -0.474 -1.662 6.843 120 HG1 THR 18 HG1 THR 18 -0.472 0.426 7.226 121 HG21 THR 18 HG21 THR 18 1.911 -1.054 6.938 122 HG22 THR 18 HG22 THR 18 1.912 -0.818 5.191 123 HG23 THR 18 HG23 THR 18 1.632 -2.425 5.866 124 H CYS 19 H CYS 19 -0.605 0.911 4.215 125 HA CYS 19 HA CYS 19 0.394 0.551 1.466 126 HB2 CYS 19 HB2 CYS 19 -1.719 1.560 1.415 127 HB3 CYS 19 HB1 CYS 19 -1.393 2.597 2.792 128 H ILE 20 H ILE 20 2.468 1.002 1.293 129 HA ILE 20 HA ILE 20 3.958 2.441 3.247 130 HB ILE 20 HB ILE 20 4.781 1.758 0.406 131 HG12 ILE 20 HG12 ILE 20 4.986 0.061 2.913 132 HG13 ILE 20 HG11 ILE 20 4.027 -0.271 1.496 133 HG21 ILE 20 HG21 ILE 20 6.241 3.362 1.527 134 HG22 ILE 20 HG22 ILE 20 7.066 1.818 1.332 135 HG23 ILE 20 HG23 ILE 20 6.414 2.274 2.905 136 HD11 ILE 20 HD11 ILE 20 6.065 -1.637 1.545 137 HD12 ILE 20 HD12 ILE 20 7.034 -0.168 1.492 138 HD13 ILE 20 HD13 ILE 20 5.988 -0.585 0.135 139 H SER 21 H SER 21 3.608 4.568 3.418 140 HA SER 21 HA SER 21 2.404 6.097 1.432 141 HB2 SER 21 HB2 SER 21 3.086 7.974 3.093 142 HB3 SER 21 HB1 SER 21 1.933 6.737 3.595 143 HG SER 21 HG SER 21 4.552 7.169 4.404 144 H TYR 22 H TYR 22 5.577 5.157 1.594 145 HA TYR 22 HA TYR 22 6.753 7.558 0.453 146 HB2 TYR 22 HB2 TYR 22 7.925 5.897 2.005 147 HB3 TYR 22 HB1 TYR 22 7.976 4.819 0.640 148 HD1 TYR 22 HD1 TYR 22 9.441 7.825 2.098 149 HD2 TYR 22 HD2 TYR 22 9.417 5.302 -1.333 150 HE1 TYR 22 HE1 TYR 22 11.546 8.826 1.343 151 HE2 TYR 22 HE2 TYR 22 11.505 6.294 -2.093 152 HH TYR 22 HH TYR 22 12.797 8.364 -1.790 153 H THR 23 H THR 23 6.332 4.162 -0.580 154 HA THR 23 HA THR 23 6.895 4.866 -3.339 155 HB THR 23 HB THR 23 6.746 2.331 -3.626 156 HG1 THR 23 HG1 THR 23 6.805 1.136 -1.732 157 HG21 THR 23 HG21 THR 23 8.766 3.408 -1.647 158 HG22 THR 23 HG22 THR 23 8.891 3.542 -3.402 159 HG23 THR 23 HG23 THR 23 8.952 1.957 -2.633 160 H LYS 24 H LYS 24 4.179 4.587 -1.416 161 HA LYS 24 HA LYS 24 1.959 4.486 -1.715 162 HB2 LYS 24 HB2 LYS 24 2.263 4.690 -4.696 163 HB3 LYS 24 HB1 LYS 24 0.974 5.238 -3.687 164 HG2 LYS 24 HG2 LYS 24 3.699 6.544 -3.676 165 HG3 LYS 24 HG1 LYS 24 2.306 7.141 -4.572 166 HD2 LYS 24 HD2 LYS 24 2.371 6.777 -1.570 167 HD3 LYS 24 HD1 LYS 24 2.720 8.302 -2.384 168 HE2 LYS 24 HE2 LYS 24 0.475 8.266 -3.373 169 HE3 LYS 24 HE1 LYS 24 0.121 6.766 -2.512 170 HZ1 LYS 24 HZ1 LYS 24 0.382 7.927 -0.425 171 HZ2 LYS 24 HZ2 LYS 24 -0.745 8.740 -1.355 172 HZ3 LYS 24 HZ3 LYS 24 0.808 9.347 -1.213 173 H ARG 25 H ARG 25 3.487 2.137 -1.665 174 HA ARG 25 HA ARG 25 1.827 0.384 -3.333 175 HB2 ARG 25 HB2 ARG 25 4.659 -0.122 -2.449 176 HB3 ARG 25 HB1 ARG 25 3.661 -1.266 -3.323 177 HG2 ARG 25 HG2 ARG 25 4.827 1.323 -4.319 178 HG3 ARG 25 HG1 ARG 25 5.181 -0.315 -4.865 179 HD2 ARG 25 HD2 ARG 25 2.708 -0.434 -5.530 180 HD3 ARG 25 HD1 ARG 25 2.688 1.292 -5.257 181 HE ARG 25 HE ARG 25 4.211 -0.099 -7.314 182 HH11 ARG 25 HH11 ARG 25 3.286 3.001 -5.915 183 HH12 ARG 25 HH12 ARG 25 3.369 3.865 -7.367 184 HH21 ARG 25 HH21 ARG 25 4.294 1.036 -9.309 185 HH22 ARG 25 HH22 ARG 25 3.943 2.708 -9.399 186 H CYS 26 H CYS 26 1.653 -1.820 -2.378 187 HA CYS 26 HA CYS 26 0.964 -1.521 0.393 188 HB2 CYS 26 HB2 CYS 26 0.595 -3.829 -1.515 189 HB3 CYS 26 HB1 CYS 26 -0.096 -3.714 0.102 190 H ARG 27 H ARG 27 1.939 -2.467 1.990 191 HA ARG 27 HA ARG 27 4.679 -3.116 1.835 192 HB2 ARG 27 HB2 ARG 27 3.364 -2.222 3.839 193 HB3 ARG 27 HB1 ARG 27 2.774 -3.839 4.033 194 HG2 ARG 27 HG2 ARG 27 5.045 -4.717 4.247 195 HG3 ARG 27 HG1 ARG 27 5.664 -3.073 4.164 196 HD2 ARG 27 HD2 ARG 27 4.641 -2.510 6.227 197 HD3 ARG 27 HD1 ARG 27 3.731 -4.030 6.273 198 HE ARG 27 HE ARG 27 6.477 -4.534 6.030 199 HH11 ARG 27 HH11 ARG 27 4.153 -3.538 8.557 200 HH12 ARG 27 HH12 ARG 27 5.058 -4.228 9.812 201 HH21 ARG 27 HH21 ARG 27 7.617 -5.548 7.743 202 HH22 ARG 27 HH22 ARG 27 7.077 -5.396 9.348 203 H LYS 28 H LYS 28 5.743 -5.133 2.108 204 HA LYS 28 HA LYS 28 4.345 -7.582 1.463 205 HB2 LYS 28 HB2 LYS 28 7.125 -7.063 2.520 206 HB3 LYS 28 HB1 LYS 28 6.490 -8.633 2.142 207 HG2 LYS 28 HG2 LYS 28 6.870 -6.422 0.134 208 HG3 LYS 28 HG1 LYS 28 7.910 -7.833 0.351 209 HD2 LYS 28 HD2 LYS 28 5.891 -9.272 -0.112 210 HD3 LYS 28 HD1 LYS 28 5.034 -7.794 -0.541 211 HE2 LYS 28 HE2 LYS 28 5.856 -8.864 -2.540 212 HE3 LYS 28 HE1 LYS 28 6.712 -7.343 -2.281 213 HZ1 LYS 28 HZ1 LYS 28 8.272 -9.121 -2.895 214 HZ2 LYS 28 HZ2 LYS 28 7.722 -10.049 -1.617 215 HZ3 LYS 28 HZ3 LYS 28 8.555 -8.641 -1.306 216 H TYR 29 H TYR 29 5.132 -9.360 3.039 217 HA TYR 29 HA TYR 29 3.312 -9.069 5.213 218 HB2 TYR 29 HB2 TYR 29 5.194 -11.284 4.485 219 HB3 TYR 29 HB1 TYR 29 4.025 -11.390 5.788 220 HD1 TYR 29 HD1 TYR 29 1.536 -10.926 5.102 221 HD2 TYR 29 HD2 TYR 29 4.594 -11.896 2.309 222 HE1 TYR 29 HE1 TYR 29 -0.165 -11.541 3.465 223 HE2 TYR 29 HE2 TYR 29 2.907 -12.513 0.664 224 HH TYR 29 HH TYR 29 0.528 -13.268 0.674 225 H TYR 30 H TYR 30 6.727 -9.855 5.186 226 HA TYR 30 HA TYR 30 6.920 -8.558 7.761 227 HB2 TYR 30 HB2 TYR 30 8.679 -10.713 6.573 228 HB3 TYR 30 HB1 TYR 30 9.037 -9.879 8.081 229 HD1 TYR 30 HD1 TYR 30 7.035 -12.439 6.469 230 HD2 TYR 30 HD2 TYR 30 7.574 -10.202 10.038 231 HE1 TYR 30 HE1 TYR 30 5.614 -14.036 7.678 232 HE2 TYR 30 HE2 TYR 30 6.178 -11.773 11.258 233 HH TYR 30 HH TYR 30 5.234 -14.786 9.983 Start of MODEL 17 1 H1 CYS 1 HT1 CYS 1 -9.204 -7.111 -1.968 2 H2 CYS 1 HT2 CYS 1 -9.578 -7.138 -0.306 3 H3 CYS 1 HT3 CYS 1 -8.348 -8.139 -0.945 4 HA CYS 1 HA CYS 1 -8.286 -5.212 -0.946 5 HB2 CYS 1 HB2 CYS 1 -6.410 -5.577 0.685 6 HB3 CYS 1 HB1 CYS 1 -8.011 -5.904 1.319 7 H LYS 2 H LYS 2 -6.052 -4.496 -1.349 8 HA LYS 2 HA LYS 2 -5.055 -6.042 -3.555 9 HB2 LYS 2 HB2 LYS 2 -4.509 -3.239 -2.678 10 HB3 LYS 2 HB1 LYS 2 -3.503 -3.999 -3.897 11 HG2 LYS 2 HG2 LYS 2 -5.543 -4.459 -5.252 12 HG3 LYS 2 HG1 LYS 2 -6.501 -3.606 -4.054 13 HD2 LYS 2 HD2 LYS 2 -4.227 -2.271 -5.514 14 HD3 LYS 2 HD1 LYS 2 -5.832 -2.372 -6.214 15 HE2 LYS 2 HE2 LYS 2 -5.600 -0.236 -5.168 16 HE3 LYS 2 HE1 LYS 2 -6.711 -1.195 -4.198 17 HZ1 LYS 2 HZ1 LYS 2 -4.865 -1.638 -2.676 18 HZ2 LYS 2 HZ2 LYS 2 -5.266 -0.047 -2.777 19 HZ3 LYS 2 HZ3 LYS 2 -3.864 -0.617 -3.603 20 HA PRO 3 HA PRO 3 -1.985 -8.049 -1.220 21 HB2 PRO 3 HB2 PRO 3 -0.661 -9.189 -3.279 22 HB3 PRO 3 HB1 PRO 3 -2.298 -9.693 -2.839 23 HG2 PRO 3 HG2 PRO 3 -1.422 -7.779 -4.973 24 HG3 PRO 3 HG1 PRO 3 -2.558 -9.135 -5.100 25 HD2 PRO 3 HD2 PRO 3 -3.406 -6.622 -4.802 26 HD3 PRO 3 HD1 PRO 3 -4.250 -7.991 -4.045 27 HA HYP 4 HA HYP 4 1.820 -5.780 -0.900 28 HB2 HYP 4 HB1 HYP 4 3.479 -7.147 -0.175 29 HB3 HYP 4 HB2 HYP 4 3.374 -8.199 -1.592 30 HG HYP 4 HG HYP 4 2.389 -9.515 0.138 31 HD22 HYP 4 HD11 HYP 4 -0.171 -8.936 -0.363 32 HD23 HYP 4 HD12 HYP 4 0.862 -9.485 -1.703 33 HD1 HYP 4 HD2 HYP 4 1.873 -7.124 1.156 34 H GLY 5 H GLY 5 2.887 -4.485 -2.199 35 HA2 GLY 5 HA2 GLY 5 4.298 -3.963 -3.959 36 HA3 GLY 5 HA1 GLY 5 3.850 -5.473 -4.732 37 H SER 6 H SER 6 0.967 -4.703 -4.155 38 HA SER 6 HA SER 6 0.529 -3.451 -6.639 39 HB2 SER 6 HB2 SER 6 -1.177 -4.821 -6.026 40 HB3 SER 6 HB1 SER 6 -1.326 -4.133 -4.368 41 HG SER 6 HG SER 6 -2.274 -2.330 -5.392 42 H LYS 7 H LYS 7 -0.847 -1.763 -6.703 43 HA LYS 7 HA LYS 7 0.443 0.566 -5.454 44 HB2 LYS 7 HB2 LYS 7 -0.893 1.995 -6.958 45 HB3 LYS 7 HB1 LYS 7 -0.054 0.751 -7.866 46 HG2 LYS 7 HG2 LYS 7 -2.123 -0.518 -8.090 47 HG3 LYS 7 HG1 LYS 7 -2.969 0.665 -7.093 48 HD2 LYS 7 HD2 LYS 7 -2.488 2.408 -8.745 49 HD3 LYS 7 HD1 LYS 7 -1.639 1.232 -9.741 50 HE2 LYS 7 HE2 LYS 7 -4.567 1.102 -9.008 51 HE3 LYS 7 HE1 LYS 7 -3.940 1.709 -10.532 52 HZ1 LYS 7 HZ1 LYS 7 -4.709 -0.547 -10.717 53 HZ2 LYS 7 HZ2 LYS 7 -3.666 -1.085 -9.531 54 HZ3 LYS 7 HZ3 LYS 7 -3.052 -0.493 -10.994 55 H CYS 8 H CYS 8 -0.710 2.098 -4.149 56 HA CYS 8 HA CYS 8 -3.352 1.159 -3.355 57 HB2 CYS 8 HB2 CYS 8 -2.748 1.859 -1.009 58 HB3 CYS 8 HB1 CYS 8 -2.160 0.313 -1.600 59 H SER 9 H SER 9 -4.593 2.641 -2.077 60 HA SER 9 HA SER 9 -4.553 5.170 -3.252 61 HB2 SER 9 HB2 SER 9 -6.125 3.925 -1.065 62 HB3 SER 9 HB1 SER 9 -6.592 5.347 -2.023 63 HG SER 9 HG SER 9 -6.188 3.729 -3.840 64 HA HYP 10 HA HYP 10 -1.229 6.652 -0.818 65 HB2 HYP 10 HB1 HYP 10 -1.155 8.718 -1.679 66 HB3 HYP 10 HB2 HYP 10 -2.479 9.260 -0.634 67 HG HYP 10 HG HYP 10 -3.480 9.308 -2.883 68 HD22 HYP 10 HD11 HYP 10 -4.730 7.059 -2.819 69 HD23 HYP 10 HD12 HYP 10 -4.723 7.881 -1.231 70 HD1 HYP 10 HD2 HYP 10 -2.764 6.780 -3.279 71 H SER 11 H SER 11 -3.861 8.599 0.603 72 HA SER 11 HA SER 11 -2.748 7.869 3.166 73 HB2 SER 11 HB2 SER 11 -4.809 9.967 2.476 74 HB3 SER 11 HB1 SER 11 -3.938 9.794 4.000 75 HG SER 11 HG SER 11 -3.198 11.274 2.105 76 H MET 12 H MET 12 -4.839 6.428 1.305 77 HA MET 12 HA MET 12 -7.014 6.131 3.209 78 HB2 MET 12 HB2 MET 12 -6.634 4.958 0.468 79 HB3 MET 12 HB1 MET 12 -8.054 4.672 1.463 80 HG2 MET 12 HG2 MET 12 -8.614 7.021 1.382 81 HG3 MET 12 HG1 MET 12 -7.139 7.371 0.484 82 HE1 MET 12 HE1 MET 12 -9.897 7.988 -2.202 83 HE2 MET 12 HE2 MET 12 -8.555 8.680 -1.284 84 HE3 MET 12 3HE MET 12 -10.076 8.297 -0.479 85 H ARG 13 H ARG 13 -4.441 4.383 1.863 86 HA ARG 13 HA ARG 13 -3.384 2.423 2.342 87 HB2 ARG 13 HB2 ARG 13 -2.886 3.708 4.301 88 HB3 ARG 13 HB1 ARG 13 -4.412 3.255 5.018 89 HG2 ARG 13 HG2 ARG 13 -3.601 0.993 5.338 90 HG3 ARG 13 HG1 ARG 13 -2.126 1.363 4.440 91 HD2 ARG 13 HD2 ARG 13 -2.972 2.688 7.019 92 HD3 ARG 13 HD1 ARG 13 -1.766 1.412 6.885 93 HE ARG 13 HE ARG 13 -1.254 3.765 5.266 94 HH11 ARG 13 HH11 ARG 13 -0.606 2.158 8.373 95 HH12 ARG 13 HH12 ARG 13 0.768 3.093 8.709 96 HH21 ARG 13 HH21 ARG 13 0.698 5.028 5.749 97 HH22 ARG 13 HH22 ARG 13 1.486 4.748 7.224 98 H ASP 14 H ASP 14 -4.834 1.237 1.031 99 HA ASP 14 HA ASP 14 -7.012 -0.167 2.420 100 HB2 ASP 14 HB2 ASP 14 -8.085 -0.262 0.307 101 HB3 ASP 14 HB1 ASP 14 -7.572 1.403 0.586 102 H CYS 15 H CYS 15 -4.007 -0.849 1.717 103 HA CYS 15 HA CYS 15 -4.143 -3.210 0.083 104 HB2 CYS 15 HB2 CYS 15 -2.034 -2.405 2.070 105 HB3 CYS 15 HB1 CYS 15 -1.839 -3.610 0.830 106 H CYS 16 H CYS 16 -3.613 -5.405 0.858 107 HA CYS 16 HA CYS 16 -5.186 -6.316 2.972 108 HB2 CYS 16 HB2 CYS 16 -2.745 -7.590 1.736 109 HB3 CYS 16 HB1 CYS 16 -3.930 -8.429 2.724 110 H THR 17 H THR 17 -1.801 -5.352 2.867 111 HA THR 17 HA THR 17 -1.469 -5.981 5.676 112 HB THR 17 HB THR 17 0.926 -5.300 5.099 113 HG1 THR 17 HG1 THR 17 1.383 -5.272 2.835 114 HG21 THR 17 HG21 THR 17 -0.353 -7.591 3.590 115 HG22 THR 17 HG22 THR 17 0.245 -7.661 5.252 116 HG23 THR 17 HG23 THR 17 1.369 -7.422 3.908 117 H THR 18 H THR 18 -0.092 -3.434 3.751 118 HA THR 18 HA THR 18 -1.679 -1.350 4.751 119 HB THR 18 HB THR 18 -0.272 -1.752 6.755 120 HG1 THR 18 HG1 THR 18 0.192 0.315 7.065 121 HG21 THR 18 HG21 THR 18 1.692 -2.671 5.663 122 HG22 THR 18 HG22 THR 18 2.123 -1.309 6.699 123 HG23 THR 18 HG23 THR 18 2.044 -1.095 4.950 124 H CYS 19 H CYS 19 -0.370 0.739 4.105 125 HA CYS 19 HA CYS 19 0.505 0.326 1.306 126 HB2 CYS 19 HB2 CYS 19 -1.727 1.258 1.402 127 HB3 CYS 19 HB1 CYS 19 -1.227 2.457 2.591 128 H ILE 20 H ILE 20 2.473 1.061 0.987 129 HA ILE 20 HA ILE 20 3.897 2.508 2.990 130 HB ILE 20 HB ILE 20 4.702 1.925 0.118 131 HG12 ILE 20 HG12 ILE 20 5.020 0.178 2.598 132 HG13 ILE 20 HG11 ILE 20 4.077 -0.150 1.177 133 HG21 ILE 20 HG21 ILE 20 6.353 2.478 2.582 134 HG22 ILE 20 HG22 ILE 20 6.084 3.598 1.241 135 HG23 ILE 20 HG23 ILE 20 6.990 2.109 0.979 136 HD11 ILE 20 HD11 ILE 20 6.053 -0.344 -0.201 137 HD12 ILE 20 HD12 ILE 20 6.145 -1.435 1.181 138 HD13 ILE 20 HD13 ILE 20 7.076 0.061 1.176 139 H SER 21 H SER 21 2.979 4.446 3.254 140 HA SER 21 HA SER 21 1.564 6.004 1.576 141 HB2 SER 21 HB2 SER 21 3.270 6.944 3.862 142 HB3 SER 21 HB1 SER 21 1.805 7.713 3.244 143 HG SER 21 HG SER 21 0.711 5.739 3.747 144 H TYR 22 H TYR 22 5.061 5.877 1.640 145 HA TYR 22 HA TYR 22 5.432 8.428 0.392 146 HB2 TYR 22 HB2 TYR 22 7.130 7.041 1.762 147 HB3 TYR 22 HB1 TYR 22 7.410 6.183 0.265 148 HD1 TYR 22 HD1 TYR 22 7.752 9.436 1.920 149 HD2 TYR 22 HD2 TYR 22 8.617 7.200 -1.594 150 HE1 TYR 22 HE1 TYR 22 9.294 11.185 1.202 151 HE2 TYR 22 HE2 TYR 22 10.170 8.948 -2.320 152 HH TYR 22 HH TYR 22 10.477 11.403 -1.923 153 H THR 23 H THR 23 5.730 5.122 -0.797 154 HA THR 23 HA THR 23 5.909 6.148 -3.531 155 HB THR 23 HB THR 23 7.657 4.566 -2.809 156 HG1 THR 23 HG1 THR 23 6.723 4.605 -5.068 157 HG21 THR 23 HG21 THR 23 5.416 2.550 -2.617 158 HG22 THR 23 HG22 THR 23 6.362 3.182 -1.271 159 HG23 THR 23 HG23 THR 23 7.135 2.173 -2.495 160 H LYS 24 H LYS 24 3.509 4.954 -1.517 161 HA LYS 24 HA LYS 24 1.484 4.196 -1.705 162 HB2 LYS 24 HB2 LYS 24 1.492 5.256 -4.530 163 HB3 LYS 24 HB1 LYS 24 0.124 4.667 -3.649 164 HG2 LYS 24 HG2 LYS 24 -0.000 7.063 -3.581 165 HG3 LYS 24 HG1 LYS 24 0.359 6.447 -1.975 166 HD2 LYS 24 HD2 LYS 24 1.649 8.448 -2.428 167 HD3 LYS 24 HD1 LYS 24 2.714 7.054 -2.277 168 HE2 LYS 24 HE2 LYS 24 2.912 6.905 -4.687 169 HE3 LYS 24 HE1 LYS 24 1.770 8.232 -4.894 170 HZ1 LYS 24 HZ1 LYS 24 3.315 9.696 -3.798 171 HZ2 LYS 24 HZ2 LYS 24 4.091 8.955 -5.094 172 HZ3 LYS 24 HZ3 LYS 24 4.389 8.436 -3.513 173 H ARG 25 H ARG 25 3.029 2.244 -1.735 174 HA ARG 25 HA ARG 25 1.739 0.397 -3.576 175 HB2 ARG 25 HB2 ARG 25 4.640 0.273 -2.785 176 HB3 ARG 25 HB1 ARG 25 3.801 -0.978 -3.664 177 HG2 ARG 25 HG2 ARG 25 4.409 1.801 -4.643 178 HG3 ARG 25 HG1 ARG 25 5.127 0.299 -5.223 179 HD2 ARG 25 HD2 ARG 25 2.724 -0.405 -5.821 180 HD3 ARG 25 HD1 ARG 25 2.317 1.249 -5.462 181 HE ARG 25 HE ARG 25 4.155 0.483 -7.588 182 HH11 ARG 25 HH11 ARG 25 1.842 2.775 -6.189 183 HH12 ARG 25 HH12 ARG 25 1.473 3.509 -7.689 184 HH21 ARG 25 HH21 ARG 25 3.638 1.560 -9.661 185 HH22 ARG 25 HH22 ARG 25 2.497 2.822 -9.659 186 H CYS 26 H CYS 26 1.823 -1.818 -2.695 187 HA CYS 26 HA CYS 26 1.063 -1.589 0.074 188 HB2 CYS 26 HB2 CYS 26 0.782 -3.873 -1.875 189 HB3 CYS 26 HB1 CYS 26 0.145 -3.863 -0.233 190 H ARG 27 H ARG 27 1.975 -2.541 1.703 191 HA ARG 27 HA ARG 27 4.748 -3.217 1.604 192 HB2 ARG 27 HB2 ARG 27 3.339 -2.184 3.560 193 HB3 ARG 27 HB1 ARG 27 2.793 -3.791 3.769 194 HG2 ARG 27 HG2 ARG 27 5.014 -4.676 4.126 195 HG3 ARG 27 HG1 ARG 27 5.689 -3.057 3.977 196 HD2 ARG 27 HD2 ARG 27 4.763 -2.363 5.970 197 HD3 ARG 27 HD1 ARG 27 3.561 -3.659 5.988 198 HE ARG 27 HE ARG 27 6.076 -4.806 5.999 199 HH11 ARG 27 HH11 ARG 27 4.220 -2.785 8.229 200 HH12 ARG 27 HH12 ARG 27 4.714 -3.618 9.625 201 HH21 ARG 27 HH21 ARG 27 6.701 -6.001 7.908 202 HH22 ARG 27 HH22 ARG 27 6.169 -5.488 9.443 203 H LYS 28 H LYS 28 5.600 -5.295 2.262 204 HA LYS 28 HA LYS 28 4.126 -7.686 1.516 205 HB2 LYS 28 HB2 LYS 28 6.681 -7.391 3.094 206 HB3 LYS 28 HB1 LYS 28 6.081 -8.837 2.318 207 HG2 LYS 28 HG2 LYS 28 6.389 -7.928 0.140 208 HG3 LYS 28 HG1 LYS 28 6.807 -6.352 0.801 209 HD2 LYS 28 HD2 LYS 28 8.789 -7.377 1.870 210 HD3 LYS 28 HD1 LYS 28 8.372 -8.908 1.089 211 HE2 LYS 28 HE2 LYS 28 10.078 -7.688 -0.167 212 HE3 LYS 28 HE1 LYS 28 8.596 -7.876 -1.095 213 HZ1 LYS 28 HZ1 LYS 28 9.348 -5.412 0.394 214 HZ2 LYS 28 HZ2 LYS 28 7.998 -5.593 -0.607 215 HZ3 LYS 28 HZ3 LYS 28 9.536 -5.638 -1.258 216 H TYR 29 H TYR 29 4.390 -9.420 3.268 217 HA TYR 29 HA TYR 29 2.348 -8.713 5.112 218 HB2 TYR 29 HB2 TYR 29 3.934 -11.248 4.785 219 HB3 TYR 29 HB1 TYR 29 2.636 -11.054 5.939 220 HD1 TYR 29 HD1 TYR 29 3.497 -11.428 2.398 221 HD2 TYR 29 HD2 TYR 29 0.296 -10.842 5.139 222 HE1 TYR 29 HE1 TYR 29 1.899 -11.981 0.635 223 HE2 TYR 29 HE2 TYR 29 -1.317 -11.399 3.385 224 HH TYR 29 HH TYR 29 -1.471 -11.454 0.963 225 H TYR 30 H TYR 30 5.592 -9.982 5.702 226 HA TYR 30 HA TYR 30 5.551 -8.454 8.153 227 HB2 TYR 30 HB2 TYR 30 6.996 -11.067 7.677 228 HB3 TYR 30 HB1 TYR 30 6.895 -10.188 9.200 229 HD1 TYR 30 HD1 TYR 30 4.384 -9.730 9.997 230 HD2 TYR 30 HD2 TYR 30 5.569 -12.844 7.363 231 HE1 TYR 30 HE1 TYR 30 2.328 -10.959 10.534 232 HE2 TYR 30 HE2 TYR 30 3.527 -14.087 7.895 233 HH TYR 30 HH TYR 30 1.884 -14.179 9.806 Start of MODEL 18 1 H1 CYS 1 HT1 CYS 1 -8.871 -7.038 -0.650 2 H2 CYS 1 HT2 CYS 1 -9.472 -5.991 -1.790 3 H3 CYS 1 HT3 CYS 1 -10.003 -5.880 -0.176 4 HA CYS 1 HA CYS 1 -8.416 -4.158 -0.671 5 HB2 CYS 1 HB2 CYS 1 -6.643 -4.837 1.003 6 HB3 CYS 1 HB1 CYS 1 -8.301 -4.858 1.576 7 H LYS 2 H LYS 2 -6.162 -3.684 -1.089 8 HA LYS 2 HA LYS 2 -5.347 -5.149 -3.413 9 HB2 LYS 2 HB2 LYS 2 -4.070 -2.758 -2.067 10 HB3 LYS 2 HB1 LYS 2 -3.494 -3.503 -3.534 11 HG2 LYS 2 HG2 LYS 2 -5.464 -2.936 -4.732 12 HG3 LYS 2 HG1 LYS 2 -6.261 -2.384 -3.257 13 HD2 LYS 2 HD2 LYS 2 -4.732 -0.562 -3.036 14 HD3 LYS 2 HD1 LYS 2 -3.737 -1.174 -4.353 15 HE2 LYS 2 HE2 LYS 2 -5.174 0.733 -5.012 16 HE3 LYS 2 HE1 LYS 2 -5.478 -0.728 -5.950 17 HZ1 LYS 2 HZ1 LYS 2 -7.453 -1.123 -4.728 18 HZ2 LYS 2 HZ2 LYS 2 -7.498 0.504 -5.169 19 HZ3 LYS 2 HZ3 LYS 2 -7.089 0.056 -3.592 20 HA PRO 3 HA PRO 3 -2.661 -7.944 -1.330 21 HB2 PRO 3 HB2 PRO 3 -1.283 -8.817 -3.529 22 HB3 PRO 3 HB1 PRO 3 -2.923 -9.346 -3.145 23 HG2 PRO 3 HG2 PRO 3 -2.013 -7.240 -5.061 24 HG3 PRO 3 HG1 PRO 3 -3.262 -8.482 -5.272 25 HD2 PRO 3 HD2 PRO 3 -3.851 -5.925 -4.682 26 HD3 PRO 3 HD1 PRO 3 -4.825 -7.285 -4.077 27 HA HYP 4 HA HYP 4 1.172 -5.855 -0.436 28 HB2 HYP 4 HB1 HYP 4 2.487 -7.387 0.644 29 HB3 HYP 4 HB2 HYP 4 2.592 -8.436 -0.780 30 HG HYP 4 HG HYP 4 1.176 -9.659 0.677 31 HD22 HYP 4 HD11 HYP 4 -1.196 -8.839 -0.241 32 HD23 HYP 4 HD12 HYP 4 -0.016 -9.471 -1.404 33 HD1 HYP 4 HD2 HYP 4 -0.506 -8.637 1.716 34 H GLY 5 H GLY 5 2.551 -4.718 -1.613 35 HA2 GLY 5 HA2 GLY 5 4.139 -4.306 -3.252 36 HA3 GLY 5 HA1 GLY 5 3.748 -5.861 -3.953 37 H SER 6 H SER 6 0.826 -4.648 -3.620 38 HA SER 6 HA SER 6 0.726 -3.705 -6.309 39 HB2 SER 6 HB2 SER 6 -1.200 -4.782 -5.642 40 HB3 SER 6 HB1 SER 6 -1.432 -3.781 -4.163 41 HG SER 6 HG SER 6 -2.180 -2.194 -5.538 42 H LYS 7 H LYS 7 -0.402 -1.843 -6.641 43 HA LYS 7 HA LYS 7 0.932 0.391 -5.249 44 HB2 LYS 7 HB2 LYS 7 0.246 1.876 -7.134 45 HB3 LYS 7 HB1 LYS 7 1.229 0.526 -7.658 46 HG2 LYS 7 HG2 LYS 7 -0.772 -0.609 -8.484 47 HG3 LYS 7 HG1 LYS 7 -1.764 0.755 -7.958 48 HD2 LYS 7 HD2 LYS 7 -1.307 0.936 -10.345 49 HD3 LYS 7 HD1 LYS 7 -0.491 2.234 -9.481 50 HE2 LYS 7 HE2 LYS 7 1.626 0.972 -9.585 51 HE3 LYS 7 HE1 LYS 7 0.800 -0.332 -10.442 52 HZ1 LYS 7 HZ1 LYS 7 1.126 2.456 -11.408 53 HZ2 LYS 7 HZ2 LYS 7 0.379 1.227 -12.270 54 HZ3 LYS 7 HZ3 LYS 7 2.028 1.152 -11.942 55 H CYS 8 H CYS 8 -0.282 1.993 -4.210 56 HA CYS 8 HA CYS 8 -3.109 1.256 -3.929 57 HB2 CYS 8 HB2 CYS 8 -2.780 1.596 -1.453 58 HB3 CYS 8 HB1 CYS 8 -2.241 0.087 -2.174 59 H SER 9 H SER 9 -4.362 2.698 -2.599 60 HA SER 9 HA SER 9 -4.048 5.351 -3.411 61 HB2 SER 9 HB2 SER 9 -5.916 4.479 -1.333 62 HB3 SER 9 HB1 SER 9 -6.132 5.499 -2.776 63 HG SER 9 HG SER 9 -6.325 2.749 -2.492 64 HA HYP 10 HA HYP 10 -1.578 6.039 0.247 65 HB2 HYP 10 HB1 HYP 10 -0.309 7.762 -0.521 66 HB3 HYP 10 HB2 HYP 10 -1.657 8.900 -0.362 67 HG HYP 10 HG HYP 10 -1.365 8.666 -2.778 68 HD22 HYP 10 HD11 HYP 10 -3.305 7.066 -3.238 69 HD23 HYP 10 HD12 HYP 10 -3.648 8.276 -1.965 70 HD1 HYP 10 HD2 HYP 10 -1.616 5.975 -2.675 71 H SER 11 H SER 11 -4.620 7.714 -0.116 72 HA SER 11 HA SER 11 -4.492 8.486 2.687 73 HB2 SER 11 HB2 SER 11 -6.530 9.274 0.579 74 HB3 SER 11 HB1 SER 11 -6.431 9.905 2.220 75 HG SER 11 HG SER 11 -5.424 11.300 0.764 76 H MET 12 H MET 12 -6.066 6.272 0.500 77 HA MET 12 HA MET 12 -7.896 5.465 2.577 78 HB2 MET 12 HB2 MET 12 -7.500 4.239 -0.157 79 HB3 MET 12 HB1 MET 12 -8.589 3.569 1.043 80 HG2 MET 12 HG2 MET 12 -9.788 5.784 1.043 81 HG3 MET 12 HG1 MET 12 -8.789 6.227 -0.337 82 HE1 MET 12 HE1 MET 12 -9.929 3.599 -3.042 83 HE2 MET 12 HE2 MET 12 -8.576 3.441 -1.926 84 HE3 MET 12 3HE MET 12 -8.896 4.990 -2.707 85 H ARG 13 H ARG 13 -5.006 4.306 1.229 86 HA ARG 13 HA ARG 13 -3.483 2.751 1.888 87 HB2 ARG 13 HB2 ARG 13 -3.474 4.330 3.745 88 HB3 ARG 13 HB1 ARG 13 -4.827 3.500 4.466 89 HG2 ARG 13 HG2 ARG 13 -3.389 1.659 5.091 90 HG3 ARG 13 HG1 ARG 13 -2.052 2.338 4.155 91 HD2 ARG 13 HD2 ARG 13 -3.362 3.675 6.521 92 HD3 ARG 13 HD1 ARG 13 -1.827 2.807 6.568 93 HE ARG 13 HE ARG 13 -0.960 4.465 4.991 94 HH11 ARG 13 HH11 ARG 13 -3.801 5.401 6.918 95 HH12 ARG 13 HH12 ARG 13 -3.493 7.058 6.812 96 HH21 ARG 13 HH21 ARG 13 -0.542 6.773 4.843 97 HH22 ARG 13 HH22 ARG 13 -1.572 7.869 5.611 98 H ASP 14 H ASP 14 -5.670 1.752 0.741 99 HA ASP 14 HA ASP 14 -7.203 -0.124 2.258 100 HB2 ASP 14 HB2 ASP 14 -8.361 -0.440 0.159 101 HB3 ASP 14 HB1 ASP 14 -8.243 1.267 0.584 102 H CYS 15 H CYS 15 -4.380 -0.776 1.917 103 HA CYS 15 HA CYS 15 -4.393 -3.120 0.189 104 HB2 CYS 15 HB2 CYS 15 -2.270 -2.332 2.189 105 HB3 CYS 15 HB1 CYS 15 -2.134 -3.531 0.942 106 H CYS 16 H CYS 16 -3.963 -5.237 1.010 107 HA CYS 16 HA CYS 16 -5.572 -5.961 3.174 108 HB2 CYS 16 HB2 CYS 16 -3.375 -7.465 1.790 109 HB3 CYS 16 HB1 CYS 16 -4.557 -8.193 2.878 110 H THR 17 H THR 17 -2.109 -5.316 2.958 111 HA THR 17 HA THR 17 -1.810 -5.859 5.791 112 HB THR 17 HB THR 17 0.583 -5.054 5.273 113 HG1 THR 17 HG1 THR 17 1.100 -5.249 2.972 114 HG21 THR 17 HG21 THR 17 0.035 -7.443 5.534 115 HG22 THR 17 HG22 THR 17 1.236 -7.213 4.265 116 HG23 THR 17 HG23 THR 17 -0.446 -7.515 3.838 117 H THR 18 H THR 18 -0.464 -3.296 3.869 118 HA THR 18 HA THR 18 -2.119 -1.231 4.745 119 HB THR 18 HB THR 18 -0.878 -1.622 6.869 120 HG1 THR 18 HG1 THR 18 -1.360 0.431 6.834 121 HG21 THR 18 HG21 THR 18 1.219 -2.475 5.946 122 HG22 THR 18 HG22 THR 18 1.517 -1.123 7.030 123 HG23 THR 18 HG23 THR 18 1.584 -0.883 5.280 124 H CYS 19 H CYS 19 -1.147 0.818 3.933 125 HA CYS 19 HA CYS 19 0.311 0.275 1.429 126 HB2 CYS 19 HB2 CYS 19 -1.954 1.194 1.138 127 HB3 CYS 19 HB1 CYS 19 -1.542 2.536 2.202 128 H ILE 20 H ILE 20 2.264 1.121 1.273 129 HA ILE 20 HA ILE 20 3.238 2.768 3.452 130 HB ILE 20 HB ILE 20 4.713 1.636 1.041 131 HG12 ILE 20 HG12 ILE 20 3.916 -0.170 2.553 132 HG13 ILE 20 HG11 ILE 20 5.667 -0.019 2.624 133 HG21 ILE 20 HG21 ILE 20 5.820 3.629 1.923 134 HG22 ILE 20 HG22 ILE 20 6.780 2.190 2.269 135 HG23 ILE 20 HG23 ILE 20 5.812 2.935 3.543 136 HD11 ILE 20 HD11 ILE 20 5.421 1.232 4.717 137 HD12 ILE 20 HD12 ILE 20 4.743 -0.395 4.801 138 HD13 ILE 20 HD13 ILE 20 3.674 0.996 4.633 139 H SER 21 H SER 21 2.569 4.766 3.270 140 HA SER 21 HA SER 21 1.595 6.063 1.083 141 HB2 SER 21 HB2 SER 21 2.848 7.395 3.470 142 HB3 SER 21 HB1 SER 21 1.491 7.961 2.496 143 HG SER 21 HG SER 21 1.467 6.512 4.643 144 H TYR 22 H TYR 22 4.930 5.753 2.007 145 HA TYR 22 HA TYR 22 5.949 8.030 0.617 146 HB2 TYR 22 HB2 TYR 22 7.082 6.644 2.473 147 HB3 TYR 22 HB1 TYR 22 7.467 5.497 1.216 148 HD1 TYR 22 HD1 TYR 22 9.109 6.051 -0.546 149 HD2 TYR 22 HD2 TYR 22 8.256 8.774 2.608 150 HE1 TYR 22 HE1 TYR 22 11.139 7.317 -1.092 151 HE2 TYR 22 HE2 TYR 22 10.273 10.047 2.068 152 HH TYR 22 HH TYR 22 12.004 9.531 -0.816 153 H THR 23 H THR 23 5.959 4.581 -0.103 154 HA THR 23 HA THR 23 6.854 5.179 -2.821 155 HB THR 23 HB THR 23 8.134 3.452 -1.648 156 HG1 THR 23 HG1 THR 23 6.633 2.709 -3.915 157 HG21 THR 23 HG21 THR 23 6.387 2.533 -0.214 158 HG22 THR 23 HG22 THR 23 7.135 1.241 -1.161 159 HG23 THR 23 HG23 THR 23 5.555 1.871 -1.620 160 H LYS 24 H LYS 24 3.953 4.681 -1.297 161 HA LYS 24 HA LYS 24 1.821 4.461 -1.943 162 HB2 LYS 24 HB2 LYS 24 2.570 4.500 -4.851 163 HB3 LYS 24 HB1 LYS 24 1.134 5.084 -4.072 164 HG2 LYS 24 HG2 LYS 24 3.822 6.437 -3.872 165 HG3 LYS 24 HG1 LYS 24 2.498 6.952 -4.910 166 HD2 LYS 24 HD2 LYS 24 1.116 7.365 -2.938 167 HD3 LYS 24 HD1 LYS 24 2.427 6.803 -1.898 168 HE2 LYS 24 HE2 LYS 24 3.854 8.612 -2.748 169 HE3 LYS 24 HE1 LYS 24 2.511 9.192 -3.734 170 HZ1 LYS 24 HZ1 LYS 24 2.479 8.974 -0.780 171 HZ2 LYS 24 HZ2 LYS 24 1.275 9.692 -1.727 172 HZ3 LYS 24 HZ3 LYS 24 2.806 10.381 -1.615 173 H ARG 25 H ARG 25 3.373 2.143 -1.513 174 HA ARG 25 HA ARG 25 2.017 0.239 -3.297 175 HB2 ARG 25 HB2 ARG 25 4.818 -0.154 -2.240 176 HB3 ARG 25 HB1 ARG 25 3.914 -1.284 -3.220 177 HG2 ARG 25 HG2 ARG 25 4.989 1.389 -4.070 178 HG3 ARG 25 HG1 ARG 25 5.512 -0.207 -4.620 179 HD2 ARG 25 HD2 ARG 25 3.232 -0.549 -5.577 180 HD3 ARG 25 HD1 ARG 25 2.841 1.076 -5.045 181 HE ARG 25 HE ARG 25 4.918 0.482 -7.003 182 HH11 ARG 25 HH11 ARG 25 2.330 2.612 -5.782 183 HH12 ARG 25 HH12 ARG 25 2.379 3.636 -7.140 184 HH21 ARG 25 HH21 ARG 25 4.975 1.920 -8.812 185 HH22 ARG 25 HH22 ARG 25 3.915 3.247 -8.885 186 H CYS 26 H CYS 26 1.845 -1.954 -2.327 187 HA CYS 26 HA CYS 26 0.935 -1.552 0.376 188 HB2 CYS 26 HB2 CYS 26 0.680 -3.925 -1.476 189 HB3 CYS 26 HB1 CYS 26 -0.061 -3.799 0.118 190 H ARG 27 H ARG 27 1.765 -2.459 2.084 191 HA ARG 27 HA ARG 27 4.505 -3.029 2.158 192 HB2 ARG 27 HB2 ARG 27 2.945 -2.175 4.001 193 HB3 ARG 27 HB1 ARG 27 2.489 -3.833 4.202 194 HG2 ARG 27 HG2 ARG 27 4.719 -4.523 4.671 195 HG3 ARG 27 HG1 ARG 27 5.313 -2.876 4.447 196 HD2 ARG 27 HD2 ARG 27 4.018 -2.140 6.315 197 HD3 ARG 27 HD1 ARG 27 3.330 -3.758 6.534 198 HE ARG 27 HE ARG 27 6.127 -2.983 6.940 199 HH11 ARG 27 HH11 ARG 27 3.465 -5.273 7.521 200 HH12 ARG 27 HH12 ARG 27 4.351 -6.297 8.533 201 HH21 ARG 27 HH21 ARG 27 7.363 -4.395 8.390 202 HH22 ARG 27 HH22 ARG 27 6.621 -5.782 9.048 203 H LYS 28 H LYS 28 5.603 -4.951 2.448 204 HA LYS 28 HA LYS 28 4.381 -7.391 1.456 205 HB2 LYS 28 HB2 LYS 28 7.100 -7.004 2.690 206 HB3 LYS 28 HB1 LYS 28 6.576 -8.329 1.720 207 HG2 LYS 28 HG2 LYS 28 6.433 -6.909 -0.248 208 HG3 LYS 28 HG1 LYS 28 6.975 -5.527 0.719 209 HD2 LYS 28 HD2 LYS 28 9.052 -6.705 1.237 210 HD3 LYS 28 HD1 LYS 28 8.521 -8.082 0.277 211 HE2 LYS 28 HE2 LYS 28 10.099 -6.692 -0.970 212 HE3 LYS 28 HE1 LYS 28 8.513 -6.693 -1.732 213 HZ1 LYS 28 HZ1 LYS 28 9.553 -4.475 -1.618 214 HZ2 LYS 28 HZ2 LYS 28 9.512 -4.543 0.059 215 HZ3 LYS 28 HZ3 LYS 28 8.075 -4.534 -0.821 216 H TYR 29 H TYR 29 5.070 -9.332 2.748 217 HA TYR 29 HA TYR 29 3.905 -9.297 5.373 218 HB2 TYR 29 HB2 TYR 29 5.430 -11.357 3.794 219 HB3 TYR 29 HB1 TYR 29 4.939 -11.662 5.439 220 HD1 TYR 29 HD1 TYR 29 3.656 -10.937 2.007 221 HD2 TYR 29 HD2 TYR 29 2.711 -12.427 5.880 222 HE1 TYR 29 HE1 TYR 29 1.534 -11.792 1.153 223 HE2 TYR 29 HE2 TYR 29 0.580 -13.281 5.030 224 HH TYR 29 HH TYR 29 -0.087 -13.554 1.731 225 H TYR 30 H TYR 30 7.101 -9.832 4.050 226 HA TYR 30 HA TYR 30 8.274 -8.686 6.415 227 HB2 TYR 30 HB2 TYR 30 9.269 -11.055 4.810 228 HB3 TYR 30 HB1 TYR 30 10.233 -10.222 6.026 229 HD1 TYR 30 HD1 TYR 30 9.570 -10.347 8.401 230 HD2 TYR 30 HD2 TYR 30 7.582 -12.633 5.424 231 HE1 TYR 30 HE1 TYR 30 8.624 -11.768 10.147 232 HE2 TYR 30 HE2 TYR 30 6.619 -14.073 7.162 233 HH TYR 30 HH TYR 30 6.716 -13.242 10.471 Start of MODEL 19 1 H1 CYS 1 HT1 CYS 1 -9.671 -6.749 -0.644 2 H2 CYS 1 HT2 CYS 1 -8.469 -7.483 -1.573 3 H3 CYS 1 HT3 CYS 1 -9.407 -6.281 -2.252 4 HA CYS 1 HA CYS 1 -8.428 -4.656 -0.742 5 HB2 CYS 1 HB2 CYS 1 -6.537 -5.292 0.605 6 HB3 CYS 1 HB1 CYS 1 -7.869 -6.332 1.064 7 H LYS 2 H LYS 2 -6.014 -4.064 -1.072 8 HA LYS 2 HA LYS 2 -5.223 -4.941 -3.720 9 HB2 LYS 2 HB2 LYS 2 -4.071 -2.776 -1.947 10 HB3 LYS 2 HB1 LYS 2 -3.386 -3.253 -3.478 11 HG2 LYS 2 HG2 LYS 2 -5.289 -2.565 -4.686 12 HG3 LYS 2 HG1 LYS 2 -6.206 -2.291 -3.199 13 HD2 LYS 2 HD2 LYS 2 -4.791 -0.476 -2.584 14 HD3 LYS 2 HD1 LYS 2 -3.683 -0.834 -3.911 15 HE2 LYS 2 HE2 LYS 2 -5.204 1.105 -4.319 16 HE3 LYS 2 HE1 LYS 2 -5.301 -0.164 -5.540 17 HZ1 LYS 2 HZ1 LYS 2 -7.318 -0.916 -4.636 18 HZ2 LYS 2 HZ2 LYS 2 -7.477 0.780 -4.686 19 HZ3 LYS 2 HZ3 LYS 2 -7.136 -0.014 -3.244 20 HA PRO 3 HA PRO 3 -2.542 -8.031 -2.001 21 HB2 PRO 3 HB2 PRO 3 -1.127 -7.765 -4.592 22 HB3 PRO 3 HB1 PRO 3 -1.850 -9.200 -3.867 23 HG2 PRO 3 HG2 PRO 3 -2.998 -7.999 -5.949 24 HG3 PRO 3 HG1 PRO 3 -3.975 -8.668 -4.635 25 HD2 PRO 3 HD2 PRO 3 -3.246 -5.826 -5.183 26 HD3 PRO 3 HD1 PRO 3 -4.779 -6.548 -4.632 27 HA HYP 4 HA HYP 4 1.045 -5.756 -0.674 28 HB2 HYP 4 HB1 HYP 4 2.129 -7.276 0.663 29 HB3 HYP 4 HB2 HYP 4 2.658 -8.207 -0.742 30 HG HYP 4 HG HYP 4 1.084 -9.676 0.273 31 HD22 HYP 4 HD11 HYP 4 -1.084 -9.072 -1.090 32 HD23 HYP 4 HD12 HYP 4 0.415 -9.322 -2.023 33 HD1 HYP 4 HD2 HYP 4 -0.557 -9.079 1.341 34 H GLY 5 H GLY 5 2.500 -4.585 -1.740 35 HA2 GLY 5 HA2 GLY 5 4.208 -4.193 -3.278 36 HA3 GLY 5 HA1 GLY 5 3.781 -5.680 -4.108 37 H SER 6 H SER 6 0.876 -4.683 -3.805 38 HA SER 6 HA SER 6 0.621 -3.611 -6.392 39 HB2 SER 6 HB2 SER 6 -1.250 -4.729 -5.620 40 HB3 SER 6 HB1 SER 6 -1.353 -3.782 -4.101 41 HG SER 6 HG SER 6 -2.173 -2.122 -5.363 42 H LYS 7 H LYS 7 -0.548 -1.810 -6.674 43 HA LYS 7 HA LYS 7 0.845 0.544 -5.543 44 HB2 LYS 7 HB2 LYS 7 0.550 0.357 -8.035 45 HB3 LYS 7 HB1 LYS 7 -1.188 0.432 -7.804 46 HG2 LYS 7 HG2 LYS 7 -0.992 2.685 -6.922 47 HG3 LYS 7 HG1 LYS 7 0.763 2.608 -7.090 48 HD2 LYS 7 HD2 LYS 7 0.510 2.314 -9.512 49 HD3 LYS 7 HD1 LYS 7 -1.243 2.407 -9.336 50 HE2 LYS 7 HE2 LYS 7 -0.305 4.536 -10.063 51 HE3 LYS 7 HE1 LYS 7 -1.058 4.669 -8.475 52 HZ1 LYS 7 HZ1 LYS 7 1.203 4.464 -7.500 53 HZ2 LYS 7 HZ2 LYS 7 1.013 5.821 -8.415 54 HZ3 LYS 7 HZ3 LYS 7 1.868 4.504 -9.045 55 H CYS 8 H CYS 8 -0.248 1.994 -4.180 56 HA CYS 8 HA CYS 8 -2.979 1.122 -3.582 57 HB2 CYS 8 HB2 CYS 8 -2.550 1.588 -1.223 58 HB3 CYS 8 HB1 CYS 8 -1.659 0.215 -1.859 59 H SER 9 H SER 9 -4.025 2.634 -1.915 60 HA SER 9 HA SER 9 -4.236 5.128 -3.166 61 HB2 SER 9 HB2 SER 9 -6.044 5.223 -1.445 62 HB3 SER 9 HB1 SER 9 -6.219 4.011 -2.727 63 HG SER 9 HG SER 9 -6.306 2.556 -1.145 64 HA HYP 10 HA HYP 10 -0.881 7.079 -0.955 65 HB2 HYP 10 HB1 HYP 10 -1.300 9.230 -1.474 66 HB3 HYP 10 HB2 HYP 10 -2.682 9.306 -0.369 67 HG HYP 10 HG HYP 10 -3.694 9.396 -2.611 68 HD22 HYP 10 HD11 HYP 10 -4.471 6.962 -2.764 69 HD23 HYP 10 HD12 HYP 10 -4.613 7.625 -1.111 70 HD1 HYP 10 HD2 HYP 10 -2.528 7.104 -3.321 71 H SER 11 H SER 11 -3.905 7.847 0.882 72 HA SER 11 HA SER 11 -2.553 6.711 3.193 73 HB2 SER 11 HB2 SER 11 -3.520 8.713 4.525 74 HB3 SER 11 HB1 SER 11 -2.073 8.973 3.553 75 HG SER 11 HG SER 11 -4.500 9.427 2.266 76 H MET 12 H MET 12 -4.674 5.692 1.493 77 HA MET 12 HA MET 12 -6.959 5.786 3.335 78 HB2 MET 12 HB2 MET 12 -6.785 4.645 0.553 79 HB3 MET 12 HB1 MET 12 -8.207 4.557 1.581 80 HG2 MET 12 HG2 MET 12 -8.370 6.979 1.589 81 HG3 MET 12 HG1 MET 12 -6.917 7.086 0.598 82 HE1 MET 12 HE1 MET 12 -10.876 5.205 -0.867 83 HE2 MET 12 HE2 MET 12 -10.640 5.837 0.764 84 HE3 MET 12 3HE MET 12 -9.789 4.381 0.247 85 H ARG 13 H ARG 13 -4.641 3.723 2.036 86 HA ARG 13 HA ARG 13 -3.912 1.614 2.453 87 HB2 ARG 13 HB2 ARG 13 -3.407 2.602 4.534 88 HB3 ARG 13 HB1 ARG 13 -5.048 2.389 5.092 89 HG2 ARG 13 HG2 ARG 13 -4.649 -0.107 5.060 90 HG3 ARG 13 HG1 ARG 13 -2.971 0.221 4.624 91 HD2 ARG 13 HD2 ARG 13 -3.189 -0.213 7.032 92 HD3 ARG 13 HD1 ARG 13 -2.657 1.440 6.739 93 HE ARG 13 HE ARG 13 -5.355 1.657 6.913 94 HH11 ARG 13 HH11 ARG 13 -2.910 0.313 9.140 95 HH12 ARG 13 HH12 ARG 13 -3.831 0.628 10.518 96 HH21 ARG 13 HH21 ARG 13 -6.590 2.053 8.833 97 HH22 ARG 13 HH22 ARG 13 -5.965 1.618 10.354 98 H ASP 14 H ASP 14 -5.542 0.820 0.905 99 HA ASP 14 HA ASP 14 -7.482 -0.866 2.287 100 HB2 ASP 14 HB2 ASP 14 -8.746 -0.979 0.269 101 HB3 ASP 14 HB1 ASP 14 -8.509 0.719 0.668 102 H CYS 15 H CYS 15 -4.646 -1.206 1.743 103 HA CYS 15 HA CYS 15 -4.453 -3.576 0.056 104 HB2 CYS 15 HB2 CYS 15 -2.425 -2.495 2.033 105 HB3 CYS 15 HB1 CYS 15 -2.123 -3.644 0.742 106 H CYS 16 H CYS 16 -3.890 -5.688 0.983 107 HA CYS 16 HA CYS 16 -5.234 -6.230 3.416 108 HB2 CYS 16 HB2 CYS 16 -3.504 -7.832 1.617 109 HB3 CYS 16 HB1 CYS 16 -3.906 -8.488 3.196 110 H THR 17 H THR 17 -1.981 -5.379 2.709 111 HA THR 17 HA THR 17 -1.183 -5.925 5.442 112 HB THR 17 HB THR 17 1.029 -5.015 4.630 113 HG1 THR 17 HG1 THR 17 1.252 -4.883 2.376 114 HG21 THR 17 HG21 THR 17 -0.155 -7.369 3.156 115 HG22 THR 17 HG22 THR 17 0.575 -7.420 4.760 116 HG23 THR 17 HG23 THR 17 1.567 -7.047 3.348 117 H THR 18 H THR 18 -0.233 -3.226 3.501 118 HA THR 18 HA THR 18 -1.380 -1.135 5.101 119 HB THR 18 HB THR 18 1.601 -1.776 5.261 120 HG1 THR 18 HG1 THR 18 -0.408 -2.571 6.802 121 HG21 THR 18 HG21 THR 18 1.810 0.077 6.810 122 HG22 THR 18 HG22 THR 18 0.103 0.492 6.599 123 HG23 THR 18 HG23 THR 18 1.239 0.641 5.243 124 H CYS 19 H CYS 19 -0.668 0.979 4.029 125 HA CYS 19 HA CYS 19 0.352 0.533 1.306 126 HB2 CYS 19 HB2 CYS 19 -1.890 1.349 1.288 127 HB3 CYS 19 HB1 CYS 19 -1.538 2.598 2.479 128 H ILE 20 H ILE 20 2.342 1.252 1.061 129 HA ILE 20 HA ILE 20 3.646 2.954 2.970 130 HB ILE 20 HB ILE 20 4.572 2.214 0.168 131 HG12 ILE 20 HG12 ILE 20 4.911 0.599 2.736 132 HG13 ILE 20 HG11 ILE 20 3.986 0.168 1.329 133 HG21 ILE 20 HG21 ILE 20 6.111 2.986 2.660 134 HG22 ILE 20 HG22 ILE 20 5.853 3.993 1.238 135 HG23 ILE 20 HG23 ILE 20 6.832 2.529 1.117 136 HD11 ILE 20 HD11 ILE 20 6.966 0.498 1.332 137 HD12 ILE 20 HD12 ILE 20 5.968 -0.023 -0.024 138 HD13 ILE 20 HD13 ILE 20 6.101 -1.034 1.419 139 H SER 21 H SER 21 3.094 5.052 2.967 140 HA SER 21 HA SER 21 1.414 6.137 0.995 141 HB2 SER 21 HB2 SER 21 1.441 6.688 3.467 142 HB3 SER 21 HB1 SER 21 2.862 7.679 3.153 143 HG SER 21 HG SER 21 0.273 7.914 2.131 144 H TYR 22 H TYR 22 4.852 6.367 1.507 145 HA TYR 22 HA TYR 22 5.354 8.656 -0.089 146 HB2 TYR 22 HB2 TYR 22 6.884 7.575 1.628 147 HB3 TYR 22 HB1 TYR 22 7.214 6.354 0.430 148 HD1 TYR 22 HD1 TYR 22 7.764 9.874 1.309 149 HD2 TYR 22 HD2 TYR 22 8.604 6.798 -1.498 150 HE1 TYR 22 HE1 TYR 22 9.560 11.242 0.355 151 HE2 TYR 22 HE2 TYR 22 10.401 8.150 -2.459 152 HH TYR 22 HH TYR 22 11.742 10.719 -0.969 153 H THR 23 H THR 23 5.808 5.233 -0.717 154 HA THR 23 HA THR 23 6.472 5.608 -3.504 155 HB THR 23 HB THR 23 5.955 2.996 -2.067 156 HG1 THR 23 HG1 THR 23 8.362 4.496 -2.216 157 HG21 THR 23 HG21 THR 23 7.830 3.732 -4.331 158 HG22 THR 23 HG22 THR 23 6.285 2.920 -4.528 159 HG23 THR 23 HG23 THR 23 7.590 2.118 -3.658 160 H LYS 24 H LYS 24 3.612 4.905 -1.680 161 HA LYS 24 HA LYS 24 1.590 4.286 -2.024 162 HB2 LYS 24 HB2 LYS 24 1.947 5.048 -4.919 163 HB3 LYS 24 HB1 LYS 24 0.444 4.613 -4.150 164 HG2 LYS 24 HG2 LYS 24 0.377 6.964 -4.279 165 HG3 LYS 24 HG1 LYS 24 0.779 6.600 -2.605 166 HD2 LYS 24 HD2 LYS 24 3.130 7.025 -3.073 167 HD3 LYS 24 HD1 LYS 24 2.736 7.364 -4.759 168 HE2 LYS 24 HE2 LYS 24 1.306 9.228 -4.013 169 HE3 LYS 24 HE1 LYS 24 1.785 8.894 -2.349 170 HZ1 LYS 24 HZ1 LYS 24 4.087 9.302 -2.994 171 HZ2 LYS 24 HZ2 LYS 24 3.135 10.663 -3.256 172 HZ3 LYS 24 HZ3 LYS 24 3.595 9.699 -4.550 173 H ARG 25 H ARG 25 3.088 2.295 -1.719 174 HA ARG 25 HA ARG 25 1.920 0.306 -3.502 175 HB2 ARG 25 HB2 ARG 25 4.743 0.181 -2.477 176 HB3 ARG 25 HB1 ARG 25 3.930 -1.108 -3.313 177 HG2 ARG 25 HG2 ARG 25 4.657 1.562 -4.505 178 HG3 ARG 25 HG1 ARG 25 5.430 0.012 -4.858 179 HD2 ARG 25 HD2 ARG 25 3.086 -0.771 -5.594 180 HD3 ARG 25 HD1 ARG 25 2.669 0.920 -5.432 181 HE ARG 25 HE ARG 25 4.490 1.358 -7.060 182 HH11 ARG 25 HH11 ARG 25 2.699 -1.703 -7.108 183 HH12 ARG 25 HH12 ARG 25 2.746 -1.874 -8.794 184 HH21 ARG 25 HH21 ARG 25 4.558 1.102 -9.426 185 HH22 ARG 25 HH22 ARG 25 3.842 -0.270 -10.122 186 H CYS 26 H CYS 26 1.832 -1.826 -2.475 187 HA CYS 26 HA CYS 26 1.020 -1.379 0.249 188 HB2 CYS 26 HB2 CYS 26 0.637 -3.802 -1.522 189 HB3 CYS 26 HB1 CYS 26 -0.072 -3.578 0.076 190 H ARG 27 H ARG 27 1.880 -2.250 1.882 191 HA ARG 27 HA ARG 27 4.634 -2.845 2.018 192 HB2 ARG 27 HB2 ARG 27 2.984 -1.842 3.687 193 HB3 ARG 27 HB1 ARG 27 2.499 -3.470 4.007 194 HG2 ARG 27 HG2 ARG 27 4.693 -4.078 4.779 195 HG3 ARG 27 HG1 ARG 27 5.288 -2.441 4.450 196 HD2 ARG 27 HD2 ARG 27 3.667 -1.571 6.058 197 HD3 ARG 27 HD1 ARG 27 3.107 -3.209 6.375 198 HE ARG 27 HE ARG 27 5.754 -3.337 6.838 199 HH11 ARG 27 HH11 ARG 27 3.125 -1.306 8.120 200 HH12 ARG 27 HH12 ARG 27 3.882 -1.056 9.620 201 HH21 ARG 27 HH21 ARG 27 6.769 -2.980 8.927 202 HH22 ARG 27 HH22 ARG 27 5.972 -1.995 10.067 203 H LYS 28 H LYS 28 5.507 -4.907 2.975 204 HA LYS 28 HA LYS 28 4.035 -7.286 2.086 205 HB2 LYS 28 HB2 LYS 28 6.777 -7.095 3.335 206 HB3 LYS 28 HB1 LYS 28 6.028 -8.504 2.674 207 HG2 LYS 28 HG2 LYS 28 6.816 -6.104 1.030 208 HG3 LYS 28 HG1 LYS 28 7.716 -7.617 1.131 209 HD2 LYS 28 HD2 LYS 28 4.898 -7.298 0.064 210 HD3 LYS 28 HD1 LYS 28 6.348 -7.498 -0.910 211 HE2 LYS 28 HE2 LYS 28 5.235 -9.538 1.041 212 HE3 LYS 28 HE1 LYS 28 5.075 -9.586 -0.706 213 HZ1 LYS 28 HZ1 LYS 28 6.843 -11.040 0.005 214 HZ2 LYS 28 HZ2 LYS 28 7.641 -9.817 0.804 215 HZ3 LYS 28 HZ3 LYS 28 7.499 -9.783 -0.872 216 H TYR 29 H TYR 29 4.427 -9.089 3.728 217 HA TYR 29 HA TYR 29 2.932 -8.278 6.076 218 HB2 TYR 29 HB2 TYR 29 3.965 -10.988 5.201 219 HB3 TYR 29 HB1 TYR 29 2.925 -10.708 6.580 220 HD1 TYR 29 HD1 TYR 29 0.571 -9.839 6.151 221 HD2 TYR 29 HD2 TYR 29 3.113 -11.222 3.030 222 HE1 TYR 29 HE1 TYR 29 -1.373 -10.056 4.668 223 HE2 TYR 29 HE2 TYR 29 1.191 -11.437 1.550 224 HH TYR 29 HH TYR 29 -1.291 -11.752 1.811 225 H TYR 30 H TYR 30 5.789 -10.205 5.438 226 HA TYR 30 HA TYR 30 7.253 -8.933 7.545 227 HB2 TYR 30 HB2 TYR 30 7.164 -11.930 7.026 228 HB3 TYR 30 HB1 TYR 30 8.083 -11.104 8.272 229 HD1 TYR 30 HD1 TYR 30 6.845 -10.043 10.193 230 HD2 TYR 30 HD2 TYR 30 4.910 -12.558 7.377 231 HE1 TYR 30 HE1 TYR 30 4.964 -10.324 11.750 232 HE2 TYR 30 HE2 TYR 30 3.023 -12.846 8.901 233 HH TYR 30 HH TYR 30 2.538 -10.913 11.642 Start of MODEL 20 1 H1 CYS 1 HT1 CYS 1 -8.735 -7.123 -1.179 2 H2 CYS 1 HT2 CYS 1 -9.393 -5.872 -2.077 3 H3 CYS 1 HT3 CYS 1 -9.782 -6.035 -0.431 4 HA CYS 1 HA CYS 1 -8.185 -4.273 -0.792 5 HB2 CYS 1 HB2 CYS 1 -6.359 -5.193 0.666 6 HB3 CYS 1 HB1 CYS 1 -7.969 -5.301 1.335 7 H LYS 2 H LYS 2 -6.005 -3.755 -1.295 8 HA LYS 2 HA LYS 2 -5.191 -4.974 -3.759 9 HB2 LYS 2 HB2 LYS 2 -3.932 -2.755 -2.129 10 HB3 LYS 2 HB1 LYS 2 -3.401 -3.258 -3.720 11 HG2 LYS 2 HG2 LYS 2 -6.122 -2.145 -3.098 12 HG3 LYS 2 HG1 LYS 2 -4.772 -1.218 -3.741 13 HD2 LYS 2 HD2 LYS 2 -4.740 -2.682 -5.730 14 HD3 LYS 2 HD1 LYS 2 -6.131 -3.562 -5.085 15 HE2 LYS 2 HE2 LYS 2 -7.465 -1.552 -5.143 16 HE3 LYS 2 HE1 LYS 2 -6.085 -0.612 -5.691 17 HZ1 LYS 2 HZ1 LYS 2 -7.438 -2.791 -7.181 18 HZ2 LYS 2 HZ2 LYS 2 -6.094 -1.949 -7.753 19 HZ3 LYS 2 HZ3 LYS 2 -7.552 -1.151 -7.503 20 HA PRO 3 HA PRO 3 -2.501 -7.933 -1.862 21 HB2 PRO 3 HB2 PRO 3 -1.045 -8.573 -4.096 22 HB3 PRO 3 HB1 PRO 3 -2.678 -9.176 -3.798 23 HG2 PRO 3 HG2 PRO 3 -1.778 -6.897 -5.511 24 HG3 PRO 3 HG1 PRO 3 -3.002 -8.136 -5.848 25 HD2 PRO 3 HD2 PRO 3 -3.654 -5.648 -5.051 26 HD3 PRO 3 HD1 PRO 3 -4.611 -7.068 -4.583 27 HA HYP 4 HA HYP 4 1.276 -5.872 -0.720 28 HB2 HYP 4 HB1 HYP 4 2.550 -7.470 0.315 29 HB3 HYP 4 HB2 HYP 4 2.811 -8.346 -1.197 30 HG HYP 4 HG HYP 4 1.379 -9.801 0.002 31 HD22 HYP 4 HD11 HYP 4 -0.966 -9.045 -1.012 32 HD23 HYP 4 HD12 HYP 4 0.367 -9.364 -2.149 33 HD1 HYP 4 HD2 HYP 4 -0.487 -8.915 0.994 34 H GLY 5 H GLY 5 2.256 -4.500 -1.994 35 HA2 GLY 5 HA2 GLY 5 3.996 -3.989 -3.522 36 HA3 GLY 5 HA1 GLY 5 3.647 -5.487 -4.360 37 H SER 6 H SER 6 0.672 -4.582 -3.939 38 HA SER 6 HA SER 6 0.402 -3.351 -6.472 39 HB2 SER 6 HB2 SER 6 -1.431 -4.581 -5.918 40 HB3 SER 6 HB1 SER 6 -1.566 -3.914 -4.253 41 HG SER 6 HG SER 6 -2.447 -2.064 -5.224 42 H LYS 7 H LYS 7 -0.909 -1.553 -6.546 43 HA LYS 7 HA LYS 7 0.566 0.672 -5.318 44 HB2 LYS 7 HB2 LYS 7 -1.733 0.834 -7.286 45 HB3 LYS 7 HB1 LYS 7 -0.713 2.167 -6.780 46 HG2 LYS 7 HG2 LYS 7 1.213 1.054 -7.837 47 HG3 LYS 7 HG1 LYS 7 0.127 -0.218 -8.407 48 HD2 LYS 7 HD2 LYS 7 -1.198 1.462 -9.594 49 HD3 LYS 7 HD1 LYS 7 -0.091 2.713 -9.044 50 HE2 LYS 7 HE2 LYS 7 1.735 1.667 -10.251 51 HE3 LYS 7 HE1 LYS 7 0.672 0.366 -10.771 52 HZ1 LYS 7 HZ1 LYS 7 0.380 3.238 -11.493 53 HZ2 LYS 7 HZ2 LYS 7 -0.671 2.010 -11.953 54 HZ3 LYS 7 HZ3 LYS 7 0.910 2.009 -12.504 55 H CYS 8 H CYS 8 -0.404 2.132 -3.930 56 HA CYS 8 HA CYS 8 -3.136 1.429 -3.068 57 HB2 CYS 8 HB2 CYS 8 -2.445 2.058 -0.789 58 HB3 CYS 8 HB1 CYS 8 -1.861 0.520 -1.382 59 H SER 9 H SER 9 -4.236 3.012 -1.823 60 HA SER 9 HA SER 9 -3.737 5.666 -2.779 61 HB2 SER 9 HB2 SER 9 -5.936 4.760 -1.016 62 HB3 SER 9 HB1 SER 9 -5.885 5.993 -2.273 63 HG SER 9 HG SER 9 -6.021 3.209 -2.565 64 HA HYP 10 HA HYP 10 -1.526 6.600 0.934 65 HB2 HYP 10 HB1 HYP 10 -0.980 8.785 0.610 66 HB3 HYP 10 HB2 HYP 10 -2.646 9.318 0.898 67 HG HYP 10 HG HYP 10 -2.269 9.648 -1.508 68 HD22 HYP 10 HD11 HYP 10 -3.624 7.608 -2.322 69 HD23 HYP 10 HD12 HYP 10 -4.321 8.408 -0.882 70 HD1 HYP 10 HD2 HYP 10 -1.736 7.081 -1.899 71 H SER 11 H SER 11 -4.836 8.025 1.082 72 HA SER 11 HA SER 11 -4.685 7.735 3.948 73 HB2 SER 11 HB2 SER 11 -6.916 8.990 3.850 74 HB3 SER 11 HB1 SER 11 -5.459 9.870 3.391 75 HG SER 11 HG SER 11 -6.602 10.300 1.700 76 H MET 12 H MET 12 -6.278 6.227 1.243 77 HA MET 12 HA MET 12 -8.245 4.885 2.824 78 HB2 MET 12 HB2 MET 12 -7.120 3.939 0.180 79 HB3 MET 12 HB1 MET 12 -8.487 3.268 1.006 80 HG2 MET 12 HG2 MET 12 -9.734 5.343 0.687 81 HG3 MET 12 HG1 MET 12 -8.361 6.026 -0.188 82 HE1 MET 12 HE1 MET 12 -10.867 5.330 -3.110 83 HE2 MET 12 HE2 MET 12 -9.845 6.529 -2.318 84 HE3 MET 12 3HE MET 12 -11.259 5.887 -1.483 85 H ARG 13 H ARG 13 -5.115 4.146 1.687 86 HA ARG 13 HA ARG 13 -3.654 2.443 2.022 87 HB2 ARG 13 HB2 ARG 13 -3.511 3.543 4.156 88 HB3 ARG 13 HB1 ARG 13 -4.983 2.767 4.697 89 HG2 ARG 13 HG2 ARG 13 -3.840 0.691 4.988 90 HG3 ARG 13 HG1 ARG 13 -2.428 1.280 4.116 91 HD2 ARG 13 HD2 ARG 13 -2.096 1.247 6.562 92 HD3 ARG 13 HD1 ARG 13 -1.914 2.838 5.846 93 HE ARG 13 HE ARG 13 -4.554 2.419 6.818 94 HH11 ARG 13 HH11 ARG 13 -1.250 3.134 7.855 95 HH12 ARG 13 HH12 ARG 13 -1.710 4.030 9.223 96 HH21 ARG 13 HH21 ARG 13 -5.196 3.681 8.722 97 HH22 ARG 13 HH22 ARG 13 -3.979 4.352 9.714 98 H ASP 14 H ASP 14 -5.524 1.670 0.541 99 HA ASP 14 HA ASP 14 -7.344 -0.306 1.454 100 HB2 ASP 14 HB2 ASP 14 -7.966 -0.385 -0.938 101 HB3 ASP 14 HB1 ASP 14 -8.065 1.220 -0.231 102 H CYS 15 H CYS 15 -4.735 -1.110 1.881 103 HA CYS 15 HA CYS 15 -4.266 -3.275 -0.061 104 HB2 CYS 15 HB2 CYS 15 -2.444 -2.357 2.145 105 HB3 CYS 15 HB1 CYS 15 -2.089 -3.474 0.863 106 H CYS 16 H CYS 16 -3.784 -5.355 0.746 107 HA CYS 16 HA CYS 16 -5.446 -6.252 2.827 108 HB2 CYS 16 HB2 CYS 16 -3.075 -7.585 1.542 109 HB3 CYS 16 HB1 CYS 16 -4.319 -8.399 2.481 110 H THR 17 H THR 17 -2.058 -5.365 2.697 111 HA THR 17 HA THR 17 -1.722 -6.026 5.504 112 HB THR 17 HB THR 17 0.671 -5.267 5.018 113 HG1 THR 17 HG1 THR 17 1.165 -5.250 2.704 114 HG21 THR 17 HG21 THR 17 -0.424 -7.558 3.359 115 HG22 THR 17 HG22 THR 17 0.029 -7.658 5.058 116 HG23 THR 17 HG23 THR 17 1.261 -7.348 3.832 117 H THR 18 H THR 18 -0.315 -3.383 3.737 118 HA THR 18 HA THR 18 -1.925 -1.332 4.773 119 HB THR 18 HB THR 18 -0.612 -1.874 6.819 120 HG1 THR 18 HG1 THR 18 0.046 0.223 7.233 121 HG21 THR 18 HG21 THR 18 1.797 -1.383 6.907 122 HG22 THR 18 HG22 THR 18 1.787 -1.101 5.167 123 HG23 THR 18 HG23 THR 18 1.434 -2.710 5.802 124 H CYS 19 H CYS 19 -0.511 0.805 4.263 125 HA CYS 19 HA CYS 19 0.462 0.389 1.502 126 HB2 CYS 19 HB2 CYS 19 -1.673 1.466 1.423 127 HB3 CYS 19 HB1 CYS 19 -1.228 2.590 2.698 128 H ILE 20 H ILE 20 2.478 1.031 1.170 129 HA ILE 20 HA ILE 20 3.820 2.790 3.055 130 HB ILE 20 HB ILE 20 4.914 1.665 0.464 131 HG12 ILE 20 HG12 ILE 20 4.809 0.235 3.141 132 HG13 ILE 20 HG11 ILE 20 4.002 -0.233 1.673 133 HG21 ILE 20 HG21 ILE 20 7.071 1.826 1.644 134 HG22 ILE 20 HG22 ILE 20 6.236 2.449 3.066 135 HG23 ILE 20 HG23 ILE 20 6.240 3.381 1.568 136 HD11 ILE 20 HD11 ILE 20 6.993 -0.158 1.982 137 HD12 ILE 20 HD12 ILE 20 6.095 -0.701 0.565 138 HD13 ILE 20 HD13 ILE 20 5.993 -1.604 2.076 139 H SER 21 H SER 21 3.123 4.891 2.617 140 HA SER 21 HA SER 21 2.177 5.578 0.014 141 HB2 SER 21 HB2 SER 21 1.152 6.460 2.109 142 HB3 SER 21 HB1 SER 21 2.617 7.402 2.383 143 HG SER 21 HG SER 21 1.294 8.761 1.416 144 H TYR 22 H TYR 22 5.230 5.501 1.327 145 HA TYR 22 HA TYR 22 6.433 7.648 -0.118 146 HB2 TYR 22 HB2 TYR 22 7.539 6.483 1.781 147 HB3 TYR 22 HB1 TYR 22 7.625 5.039 0.813 148 HD1 TYR 22 HD1 TYR 22 9.554 4.562 -0.354 149 HD2 TYR 22 HD2 TYR 22 8.705 8.613 0.601 150 HE1 TYR 22 HE1 TYR 22 11.683 5.234 -1.342 151 HE2 TYR 22 HE2 TYR 22 10.845 9.297 -0.391 152 HH TYR 22 HH TYR 22 12.649 7.326 -2.373 153 H THR 23 H THR 23 6.331 4.214 -0.629 154 HA THR 23 HA THR 23 7.305 4.342 -3.350 155 HB THR 23 HB THR 23 6.206 1.931 -1.884 156 HG1 THR 23 HG1 THR 23 8.813 3.030 -1.830 157 HG21 THR 23 HG21 THR 23 6.812 1.649 -4.279 158 HG22 THR 23 HG22 THR 23 7.883 0.734 -3.223 159 HG23 THR 23 HG23 THR 23 8.427 2.256 -3.926 160 H LYS 24 H LYS 24 4.305 4.442 -1.777 161 HA LYS 24 HA LYS 24 2.135 4.485 -2.296 162 HB2 LYS 24 HB2 LYS 24 2.558 4.266 -5.247 163 HB3 LYS 24 HB1 LYS 24 1.355 5.126 -4.362 164 HG2 LYS 24 HG2 LYS 24 4.207 6.061 -4.684 165 HG3 LYS 24 HG1 LYS 24 2.800 6.708 -5.517 166 HD2 LYS 24 HD2 LYS 24 3.335 6.800 -2.547 167 HD3 LYS 24 HD1 LYS 24 3.501 8.138 -3.678 168 HE2 LYS 24 HE2 LYS 24 1.091 8.032 -4.132 169 HE3 LYS 24 HE1 LYS 24 0.947 6.695 -2.992 170 HZ1 LYS 24 HZ1 LYS 24 1.772 8.231 -1.227 171 HZ2 LYS 24 HZ2 LYS 24 0.316 8.669 -1.922 172 HZ3 LYS 24 HZ3 LYS 24 1.703 9.500 -2.353 173 H ARG 25 H ARG 25 3.479 2.058 -1.862 174 HA ARG 25 HA ARG 25 1.838 0.242 -3.472 175 HB2 ARG 25 HB2 ARG 25 4.660 -0.348 -2.632 176 HB3 ARG 25 HB1 ARG 25 3.607 -1.445 -3.499 177 HG2 ARG 25 HG2 ARG 25 4.868 1.092 -4.497 178 HG3 ARG 25 HG1 ARG 25 5.188 -0.556 -5.046 179 HD2 ARG 25 HD2 ARG 25 2.755 -0.606 -5.829 180 HD3 ARG 25 HD1 ARG 25 2.706 1.067 -5.364 181 HE ARG 25 HE ARG 25 4.579 0.107 -7.387 182 HH11 ARG 25 HH11 ARG 25 2.322 2.555 -6.147 183 HH12 ARG 25 HH12 ARG 25 2.453 3.570 -7.509 184 HH21 ARG 25 HH21 ARG 25 4.751 1.565 -9.286 185 HH22 ARG 25 HH22 ARG 25 3.839 2.995 -9.303 186 H CYS 26 H CYS 26 1.552 -1.853 -2.436 187 HA CYS 26 HA CYS 26 0.879 -1.452 0.326 188 HB2 CYS 26 HB2 CYS 26 0.503 -3.815 -1.513 189 HB3 CYS 26 HB1 CYS 26 -0.212 -3.629 0.088 190 H ARG 27 H ARG 27 1.747 -2.511 1.986 191 HA ARG 27 HA ARG 27 4.512 -3.165 1.882 192 HB2 ARG 27 HB2 ARG 27 3.097 -2.248 3.827 193 HB3 ARG 27 HB1 ARG 27 2.592 -3.886 4.051 194 HG2 ARG 27 HG2 ARG 27 4.921 -4.627 4.300 195 HG3 ARG 27 HG1 ARG 27 5.433 -2.944 4.247 196 HD2 ARG 27 HD2 ARG 27 4.280 -2.481 6.299 197 HD3 ARG 27 HD1 ARG 27 3.513 -4.075 6.278 198 HE ARG 27 HE ARG 27 6.300 -4.316 6.143 199 HH11 ARG 27 HH11 ARG 27 3.802 -3.555 8.561 200 HH12 ARG 27 HH12 ARG 27 4.680 -4.220 9.851 201 HH21 ARG 27 HH21 ARG 27 7.423 -5.240 7.854 202 HH22 ARG 27 HH22 ARG 27 6.818 -5.198 9.462 203 H LYS 28 H LYS 28 5.491 -5.196 2.477 204 HA LYS 28 HA LYS 28 4.045 -7.699 1.850 205 HB2 LYS 28 HB2 LYS 28 6.898 -7.117 2.712 206 HB3 LYS 28 HB1 LYS 28 6.257 -8.694 2.372 207 HG2 LYS 28 HG2 LYS 28 6.544 -6.469 0.363 208 HG3 LYS 28 HG1 LYS 28 7.606 -7.864 0.527 209 HD2 LYS 28 HD2 LYS 28 5.673 -9.352 0.077 210 HD3 LYS 28 HD1 LYS 28 4.677 -7.924 -0.195 211 HE2 LYS 28 HE2 LYS 28 7.138 -8.667 -1.767 212 HE3 LYS 28 HE1 LYS 28 5.477 -8.943 -2.292 213 HZ1 LYS 28 HZ1 LYS 28 5.170 -6.509 -2.262 214 HZ2 LYS 28 HZ2 LYS 28 6.426 -6.960 -3.292 215 HZ3 LYS 28 HZ3 LYS 28 6.763 -6.319 -1.791 216 H TYR 29 H TYR 29 4.991 -9.344 3.543 217 HA TYR 29 HA TYR 29 3.471 -8.829 5.871 218 HB2 TYR 29 HB2 TYR 29 5.363 -11.021 5.123 219 HB3 TYR 29 HB1 TYR 29 4.700 -10.938 6.751 220 HD1 TYR 29 HD1 TYR 29 3.857 -11.378 3.169 221 HD2 TYR 29 HD2 TYR 29 2.386 -11.485 7.154 222 HE1 TYR 29 HE1 TYR 29 1.816 -12.436 2.372 223 HE2 TYR 29 HE2 TYR 29 0.335 -12.551 6.370 224 HH TYR 29 HH TYR 29 -0.936 -12.752 4.375 225 H TYR 30 H TYR 30 6.978 -9.178 5.535 226 HA TYR 30 HA TYR 30 7.186 -7.368 7.764 227 HB2 TYR 30 HB2 TYR 30 9.092 -9.554 6.927 228 HB3 TYR 30 HB1 TYR 30 9.519 -8.301 8.087 229 HD1 TYR 30 HD1 TYR 30 7.907 -11.464 7.610 230 HD2 TYR 30 HD2 TYR 30 8.124 -8.098 10.192 231 HE1 TYR 30 HE1 TYR 30 6.900 -12.788 9.413 232 HE2 TYR 30 HE2 TYR 30 7.123 -9.402 12.000 233 HH TYR 30 HH TYR 30 5.761 -11.373 12.295
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