NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
627411 | 6chc | 30413 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 H GLY 1 -4.607 -6.418 3.375 2 HA ARG 1 HA2 GLY 1 -4.701 -3.791 2.031 3 H TYR 2 H TYR 2 -2.622 -3.623 1.263 4 HA TYR 2 HA TYR 2 -0.568 -3.284 3.327 5 HB2 TYR 2 HB2 TYR 2 -0.510 -5.187 1.045 6 HB3 TYR 2 HB3 TYR 2 0.978 -4.313 1.388 7 HD1 TYR 2 HD1 TYR 2 -1.523 -6.633 2.816 8 HD2 TYR 2 HD2 TYR 2 2.329 -4.882 3.254 9 HE1 TYR 2 HE1 TYR 2 -1.005 -8.237 4.606 10 HE2 TYR 2 HE2 TYR 2 2.858 -6.481 5.045 11 HH TYR 2 HH TYR 2 1.461 -9.206 5.553 12 H CYS 3 H CYS 3 1.416 -2.188 2.380 13 HA CYS 3 HA CYS 3 0.562 0.188 1.030 14 HB2 CYS 3 HB2 CYS 3 2.871 -0.690 2.534 15 HB3 CYS 3 HB3 CYS 3 3.370 0.148 1.069 16 H GLN 4 H GLN 4 2.735 0.832 -0.566 17 HA GLN 4 HA GLN 4 2.413 -1.072 -2.790 18 HB2 GLN 4 HB2 GLN 4 3.291 1.691 -3.381 19 HB3 GLN 4 HB3 GLN 4 2.181 0.647 -4.262 20 HG2 GLN 4 HG2 GLN 4 1.510 2.062 -1.693 21 HG3 GLN 4 HG3 GLN 4 1.122 2.668 -3.303 22 HE21 GLN 4 HE21 GLN 4 0.108 0.738 -4.676 23 HE22 GLN 4 HE22 GLN 4 -1.249 -0.007 -3.907 24 H LYS 5 H LYS 5 4.226 -2.297 -2.057 25 HA LYS 5 HA LYS 5 6.471 -2.719 -1.655 26 HB2 LYS 5 HB2 LYS 5 6.161 -1.661 -4.443 27 HB3 LYS 5 HB3 LYS 5 7.755 -2.117 -3.857 28 HG2 LYS 5 HG2 LYS 5 5.682 -4.122 -3.367 29 HG3 LYS 5 HG3 LYS 5 5.994 -3.793 -5.072 30 HD2 LYS 5 HD2 LYS 5 8.237 -4.294 -3.141 31 HD3 LYS 5 HD3 LYS 5 7.375 -5.629 -3.912 32 HE2 LYS 5 HE2 LYS 5 7.978 -3.812 -5.960 33 HE3 LYS 5 HE3 LYS 5 9.434 -3.923 -4.972 34 HZ1 LYS 5 HZ1 LYS 5 8.007 -6.109 -6.366 35 HZ2 LYS 5 HZ2 LYS 5 9.147 -6.408 -5.153 36 HZ3 LYS 5 HZ3 LYS 5 9.610 -5.611 -6.572 37 H TRP 6 H TRP 6 5.987 -0.507 -0.216 38 HA TRP 6 HA TRP 6 7.123 1.892 -0.671 39 HB2 TRP 6 HB2 TRP 6 7.337 2.178 1.637 40 HB3 TRP 6 HB3 TRP 6 6.114 0.915 1.507 41 HD1 TRP 6 HD1 TRP 6 9.036 1.678 3.468 42 HE1 TRP 6 HE1 TRP 6 10.081 -0.433 4.504 43 HE3 TRP 6 HE3 TRP 6 6.685 -1.867 0.630 44 HZ2 TRP 6 HZ2 TRP 6 9.930 -3.232 4.162 45 HZ3 TRP 6 HZ3 TRP 6 7.193 -4.238 1.048 46 HH2 TRP 6 HH2 TRP 6 8.782 -4.903 2.777 47 H NLE 7 H NLE 7 8.738 -1.107 -0.204 48 HA NLE 7 HA NLE 7 11.367 -0.384 0.595 49 HB2 NLE 7 HB2 NLE 7 10.447 -2.691 0.401 50 HB3 NLE 7 HB3 NLE 7 10.618 -2.638 -1.353 51 HG2 NLE 7 HG2 NLE 7 12.935 -2.979 -1.267 52 HG3 NLE 7 HG3 NLE 7 13.164 -1.972 0.157 53 HD2 NLE 7 HD2 NLE 7 13.214 -3.815 1.518 54 HD3 NLE 7 HD3 NLE 7 11.617 -4.337 0.966 55 HE1 NLE 7 HE1 NLE 7 14.194 -4.855 -0.432 56 HE2 NLE 7 HE2 NLE 7 13.294 -5.952 0.446 57 HE3 NLE 7 HE3 NLE 7 12.687 -5.342 -0.981 58 H TRP 8 H TRP 8 9.920 0.553 -2.399 59 HA TRP 8 HA TRP 8 11.965 0.653 -4.226 60 HB2 TRP 8 HB2 TRP 8 9.932 2.836 -3.724 61 HB3 TRP 8 HB3 TRP 8 10.841 2.589 -5.211 62 HD1 TRP 8 HD1 TRP 8 10.374 -0.679 -5.164 63 HE1 TRP 8 HE1 TRP 8 8.077 -1.547 -5.935 64 HE3 TRP 8 HE3 TRP 8 7.643 3.600 -4.553 65 HZ2 TRP 8 HZ2 TRP 8 5.453 -0.550 -6.244 66 HZ3 TRP 8 HZ3 TRP 8 5.246 3.558 -5.109 67 HH2 TRP 8 HH2 TRP 8 4.176 1.527 -5.939 68 H THR 9 H THR 9 13.187 2.645 -4.942 69 HA THR 9 HA THR 9 14.766 3.583 -2.710 70 HB THR 9 HB THR 9 16.018 4.810 -4.615 71 HG1 THR 9 HG1 THR 9 15.624 3.707 -6.668 72 HG21 THR 9 HG21 THR 9 16.311 2.349 -3.479 73 HG22 THR 9 HG22 THR 9 17.447 3.071 -4.621 74 HG23 THR 9 HG23 THR 9 16.219 1.940 -5.192 75 H CYS 10 H CYS 10 12.726 4.736 -1.913 76 HA CYS 10 HA CYS 10 11.448 6.854 -2.941 77 HB2 CYS 10 HB2 CYS 10 11.141 7.709 -0.757 78 HB3 CYS 10 HB3 CYS 10 11.354 5.975 -0.550 79 H ASP 11 H ASP 11 11.776 9.021 -3.337 80 HA ASP 11 HA ASP 11 14.082 10.473 -2.647 81 HB2 ASP 11 HB2 ASP 11 14.311 8.802 -5.017 82 HB3 ASP 11 HB3 ASP 11 14.562 10.505 -5.388 83 H SER 12 H SER 12 11.603 10.029 -5.141 84 HA SER 12 HA SER 12 10.306 12.454 -4.615 85 HB2 SER 12 HB2 SER 12 11.063 13.287 -7.112 86 HB3 SER 12 HB3 SER 12 11.737 13.900 -5.604 87 HG SER 12 HG SER 12 13.358 13.204 -7.073 88 H LYS 13 H LYS 13 11.209 10.673 -7.574 89 HA LYS 13 HA LYS 13 8.593 10.738 -8.657 90 HB2 LYS 13 HB2 LYS 13 11.145 9.969 -9.532 91 HB3 LYS 13 HB3 LYS 13 10.160 8.516 -9.639 92 HG2 LYS 13 HG2 LYS 13 9.707 9.364 -11.681 93 HG3 LYS 13 HG3 LYS 13 8.470 10.236 -10.774 94 HD2 LYS 13 HD2 LYS 13 10.407 11.987 -10.455 95 HD3 LYS 13 HD3 LYS 13 11.049 11.215 -11.907 96 HE2 LYS 13 HE2 LYS 13 9.375 12.004 -13.229 97 HE3 LYS 13 HE3 LYS 13 8.182 11.960 -11.931 98 HZ1 LYS 13 HZ1 LYS 13 8.476 14.193 -12.153 99 HZ2 LYS 13 HZ2 LYS 13 10.094 14.066 -12.629 100 HZ3 LYS 13 HZ3 LYS 13 9.674 13.882 -11.001 101 H ARG 14 H ARG 14 9.958 8.882 -6.190 102 HA ARG 14 HA ARG 14 8.837 6.378 -6.443 103 HB2 ARG 14 HB2 ARG 14 8.771 6.369 -3.918 104 HB3 ARG 14 HB3 ARG 14 10.323 6.785 -4.634 105 HG2 ARG 14 HG2 ARG 14 10.048 8.300 -2.881 106 HG3 ARG 14 HG3 ARG 14 9.627 9.216 -4.329 107 HD2 ARG 14 HD2 ARG 14 7.322 7.860 -3.230 108 HD3 ARG 14 HD3 ARG 14 8.086 8.899 -2.028 109 HE ARG 14 HE ARG 14 7.910 10.429 -4.299 110 HH11 ARG 14 HH11 ARG 14 5.675 8.710 -2.255 111 HH12 ARG 14 HH12 ARG 14 4.359 9.794 -2.562 112 HH21 ARG 14 HH21 ARG 14 6.184 11.861 -4.712 113 HH22 ARG 14 HH22 ARG 14 4.649 11.586 -3.961 114 H ALA 15 H ALA 15 6.988 5.515 -5.052 115 HA ALA 15 HA ALA 15 4.713 7.369 -4.995 116 HB1 ALA 15 HB1 ALA 15 4.156 6.392 -6.983 117 HB2 ALA 15 HB2 ALA 15 4.952 4.869 -6.585 118 HB3 ALA 15 HB3 ALA 15 3.390 5.261 -5.867 119 H CYS 16 H CYS 16 6.431 6.166 -2.926 120 HA CYS 16 HA CYS 16 5.220 4.025 -1.613 121 HB2 CYS 16 HB2 CYS 16 6.817 6.356 -0.546 122 HB3 CYS 16 HB3 CYS 16 6.307 5.002 0.458 123 H CYS 17 H CYS 17 4.483 4.628 0.875 124 HA CYS 17 HA CYS 17 2.071 6.280 0.506 125 HB2 CYS 17 HB2 CYS 17 1.878 4.561 2.795 126 HB3 CYS 17 HB3 CYS 17 0.879 4.587 1.346 127 H GLU 18 H GLU 18 3.693 5.034 3.411 128 HA GLU 18 HA GLU 18 4.102 7.801 4.307 129 HB2 GLU 18 HB2 GLU 18 2.035 6.641 5.307 130 HB3 GLU 18 HB3 GLU 18 3.182 5.640 6.189 131 HG2 GLU 18 HG2 GLU 18 3.391 7.203 7.730 132 HG3 GLU 18 HG3 GLU 18 3.939 8.357 6.515 133 H GLY 19 H GLY 19 6.110 6.362 3.168 134 HA2 GLY 19 HA2 GLY 19 7.944 6.091 5.412 135 HA3 GLY 19 HA3 GLY 19 7.713 4.647 4.438 136 H LEU 20 H LEU 20 7.382 7.463 2.612 137 HA LEU 20 HA LEU 20 9.735 6.893 1.101 138 HB2 LEU 20 HB2 LEU 20 9.057 9.191 0.051 139 HB3 LEU 20 HB3 LEU 20 8.098 7.742 -0.245 140 HG LEU 20 HG LEU 20 6.864 9.930 0.258 141 HD11 LEU 20 HD11 LEU 20 5.509 8.393 2.103 142 HD12 LEU 20 HD12 LEU 20 6.371 7.204 1.127 143 HD13 LEU 20 HD13 LEU 20 5.287 8.361 0.354 144 HD21 LEU 20 HD21 LEU 20 6.741 10.731 2.418 145 HD22 LEU 20 HD22 LEU 20 8.446 10.294 2.293 146 HD23 LEU 20 HD23 LEU 20 7.318 9.221 3.125 147 H ARG 21 H ARG 21 9.295 8.500 3.975 148 HA ARG 21 HA ARG 21 11.111 10.674 3.632 149 HB2 ARG 21 HB2 ARG 21 9.271 9.987 5.538 150 HB3 ARG 21 HB3 ARG 21 10.784 9.625 6.358 151 HG2 ARG 21 HG2 ARG 21 11.338 12.064 5.326 152 HG3 ARG 21 HG3 ARG 21 9.603 12.206 5.620 153 HD2 ARG 21 HD2 ARG 21 11.203 10.989 7.783 154 HD3 ARG 21 HD3 ARG 21 11.476 12.705 7.482 155 HE ARG 21 HE ARG 21 9.144 11.500 8.640 156 HH11 ARG 21 HH11 ARG 21 10.358 14.241 6.869 157 HH12 ARG 21 HH12 ARG 21 9.093 15.303 7.390 158 HH21 ARG 21 HH21 ARG 21 7.472 12.889 9.332 159 HH22 ARG 21 HH22 ARG 21 7.453 14.533 8.793 160 H CYS 22 H CYS 22 12.797 9.349 2.555 161 HA CYS 22 HA CYS 22 14.898 8.757 4.397 162 HB2 CYS 22 HB2 CYS 22 15.214 6.431 3.936 163 HB3 CYS 22 HB3 CYS 22 13.536 6.641 4.431 164 H LYS 23 H LYS 23 16.439 7.125 2.659 165 HA LYS 23 HA LYS 23 17.062 9.104 0.588 166 HB2 LYS 23 HB2 LYS 23 18.732 8.097 2.384 167 HB3 LYS 23 HB3 LYS 23 18.866 6.805 1.199 168 HG2 LYS 23 HG2 LYS 23 20.423 8.033 0.208 169 HG3 LYS 23 HG3 LYS 23 19.126 9.115 -0.302 170 HD2 LYS 23 HD2 LYS 23 20.195 9.493 2.434 171 HD3 LYS 23 HD3 LYS 23 21.247 9.952 1.093 172 HE2 LYS 23 HE2 LYS 23 20.124 11.916 1.376 173 HE3 LYS 23 HE3 LYS 23 19.033 11.124 0.239 174 HZ1 LYS 23 HZ1 LYS 23 17.572 11.788 1.838 175 HZ2 LYS 23 HZ2 LYS 23 18.684 11.629 3.105 176 HZ3 LYS 23 HZ3 LYS 23 17.958 10.253 2.440 177 H LEU 24 H LEU 24 16.513 5.641 1.046 178 HA LEU 24 HA LEU 24 15.841 5.442 -1.799 179 HB2 LEU 24 HB2 LEU 24 17.925 3.941 -0.326 180 HB3 LEU 24 HB3 LEU 24 16.931 3.026 -1.459 181 HG LEU 24 HG LEU 24 17.605 4.657 -3.235 182 HD11 LEU 24 HD11 LEU 24 19.997 5.633 -2.258 183 HD12 LEU 24 HD12 LEU 24 18.856 5.914 -0.942 184 HD13 LEU 24 HD13 LEU 24 18.526 6.561 -2.549 185 HD21 LEU 24 HD21 LEU 24 19.597 3.536 -3.722 186 HD22 LEU 24 HD22 LEU 24 18.701 2.398 -2.715 187 HD23 LEU 24 HD23 LEU 24 20.015 3.347 -2.017 188 H TRP 25 H TRP 25 16.181 2.669 0.271 189 HA TRP 25 HA TRP 25 13.581 1.744 -0.174 190 HB2 TRP 25 HB2 TRP 25 14.590 -0.077 0.650 191 HB3 TRP 25 HB3 TRP 25 15.900 0.898 1.308 192 HD1 TRP 25 HD1 TRP 25 12.359 -0.310 2.312 193 HE1 TRP 25 HE1 TRP 25 12.286 -0.514 4.875 194 HE3 TRP 25 HE3 TRP 25 17.006 1.522 3.403 195 HZ2 TRP 25 HZ2 TRP 25 13.975 0.031 7.071 196 HZ3 TRP 25 HZ3 TRP 25 17.700 1.647 5.761 197 HH2 TRP 25 HH2 TRP 25 16.214 0.917 7.556 198 H CYS 26 H CYS 26 11.797 2.790 0.420 199 HA CYS 26 HA CYS 26 11.396 4.752 2.221 200 HB2 CYS 26 HB2 CYS 26 9.559 2.465 1.514 201 HB3 CYS 26 HB3 CYS 26 9.041 3.823 2.511 202 H ARG 27 H ARG 27 11.540 5.023 4.348 203 HA ARG 27 HA ARG 27 12.154 2.750 6.032 204 HB2 ARG 27 HB2 ARG 27 12.069 5.723 6.535 205 HB3 ARG 27 HB3 ARG 27 12.400 4.549 7.803 206 HG2 ARG 27 HG2 ARG 27 14.049 4.277 5.387 207 HG3 ARG 27 HG3 ARG 27 14.292 5.762 6.308 208 HD2 ARG 27 HD2 ARG 27 14.286 3.046 7.595 209 HD3 ARG 27 HD3 ARG 27 15.746 3.769 6.926 210 HE ARG 27 HE ARG 27 14.419 4.486 9.370 211 HH11 ARG 27 HH11 ARG 27 16.536 5.584 6.833 212 HH12 ARG 27 HH12 ARG 27 17.285 6.805 7.807 213 HH21 ARG 27 HH21 ARG 27 15.398 6.091 10.663 214 HH22 ARG 27 HH22 ARG 27 16.639 7.092 9.987 215 H LYS 28 H LYS 28 9.663 2.329 5.199 216 HA LYS 28 HA LYS 28 7.766 3.417 7.114 217 HB2 LYS 28 HB2 LYS 28 7.458 2.742 4.533 218 HB3 LYS 28 HB3 LYS 28 6.986 1.218 5.274 219 HG2 LYS 28 HG2 LYS 28 5.466 2.742 6.752 220 HG3 LYS 28 HG3 LYS 28 5.673 3.887 5.425 221 HD2 LYS 28 HD2 LYS 28 4.322 2.725 4.068 222 HD3 LYS 28 HD3 LYS 28 5.045 1.181 4.528 223 HE2 LYS 28 HE2 LYS 28 2.994 0.847 5.430 224 HE3 LYS 28 HE3 LYS 28 3.714 1.718 6.784 225 HZ1 LYS 28 HZ1 LYS 28 1.488 2.437 5.234 226 HZ2 LYS 28 HZ2 LYS 28 2.689 3.607 5.005 227 HZ3 LYS 28 HZ3 LYS 28 2.146 3.246 6.565 228 H ILE 29 H ILE 29 6.281 0.752 6.837 229 HA ILE 29 HA ILE 29 6.835 -0.277 9.359 230 HB ILE 29 HB ILE 29 5.413 -2.099 8.847 231 HG12 ILE 29 HG12 ILE 29 6.575 -2.818 6.783 232 HG13 ILE 29 HG13 ILE 29 4.827 -2.778 6.584 233 HG21 ILE 29 HG21 ILE 29 3.882 -0.568 7.038 234 HG22 ILE 29 HG22 ILE 29 3.706 -0.686 8.788 235 HG23 ILE 29 HG23 ILE 29 4.733 0.564 8.088 236 HD11 ILE 29 HD11 ILE 29 5.134 -0.497 5.548 237 HD12 ILE 29 HD12 ILE 29 6.863 -0.856 5.513 238 HD13 ILE 29 HD13 ILE 29 5.731 -1.871 4.618 239 H ILE 30 H ILE 30 8.519 -0.715 6.415 240 HA ILE 30 HA ILE 30 10.430 -1.844 5.900 241 HB ILE 30 HB ILE 30 10.553 -2.751 8.771 242 HG12 ILE 30 HG12 ILE 30 10.338 -0.410 8.974 243 HG13 ILE 30 HG13 ILE 30 12.075 -0.697 9.012 244 HG21 ILE 30 HG21 ILE 30 12.456 -3.699 8.146 245 HG22 ILE 30 HG22 ILE 30 12.215 -3.129 6.497 246 HG23 ILE 30 HG23 ILE 30 13.078 -2.122 7.659 247 HD11 ILE 30 HD11 ILE 30 11.664 1.194 7.633 248 HD12 ILE 30 HD12 ILE 30 12.137 -0.143 6.582 249 HD13 ILE 30 HD13 ILE 30 10.441 0.324 6.705 Start of MODEL 2 1 H1 ARG 1 H GLY 1 3.271 -4.509 4.674 2 HA ARG 1 HA2 GLY 1 0.872 -4.920 6.137 3 H TYR 2 H TYR 2 -0.531 -2.610 5.259 4 HA TYR 2 HA TYR 2 -0.939 -3.371 2.503 5 HB2 TYR 2 HB2 TYR 2 -2.349 -1.489 4.383 6 HB3 TYR 2 HB3 TYR 2 -2.758 -1.560 2.672 7 HD1 TYR 2 HD1 TYR 2 -2.725 -3.468 5.831 8 HD2 TYR 2 HD2 TYR 2 -4.030 -3.377 1.782 9 HE1 TYR 2 HE1 TYR 2 -4.219 -5.370 6.275 10 HE2 TYR 2 HE2 TYR 2 -5.526 -5.278 2.215 11 HH TYR 2 HH TYR 2 -6.093 -6.476 5.429 12 H CYS 3 H CYS 3 0.897 -2.659 1.418 13 HA CYS 3 HA CYS 3 0.892 0.184 0.793 14 HB2 CYS 3 HB2 CYS 3 3.104 -1.223 2.208 15 HB3 CYS 3 HB3 CYS 3 3.545 -0.061 0.961 16 H GLN 4 H GLN 4 3.063 0.386 -0.789 17 HA GLN 4 HA GLN 4 2.692 -1.736 -2.798 18 HB2 GLN 4 HB2 GLN 4 3.480 0.957 -3.739 19 HB3 GLN 4 HB3 GLN 4 2.407 -0.227 -4.476 20 HG2 GLN 4 HG2 GLN 4 1.678 1.464 -2.096 21 HG3 GLN 4 HG3 GLN 4 1.290 1.872 -3.767 22 HE21 GLN 4 HE21 GLN 4 0.312 -0.182 -4.934 23 HE22 GLN 4 HE22 GLN 4 -1.018 -0.893 -4.091 24 H LYS 5 H LYS 5 4.541 -2.822 -1.983 25 HA LYS 5 HA LYS 5 6.791 -3.161 -1.574 26 HB2 LYS 5 HB2 LYS 5 6.489 -2.277 -4.424 27 HB3 LYS 5 HB3 LYS 5 8.077 -2.690 -3.793 28 HG2 LYS 5 HG2 LYS 5 6.931 -4.881 -3.028 29 HG3 LYS 5 HG3 LYS 5 5.697 -4.443 -4.211 30 HD2 LYS 5 HD2 LYS 5 7.133 -5.752 -5.467 31 HD3 LYS 5 HD3 LYS 5 7.718 -4.123 -5.814 32 HE2 LYS 5 HE2 LYS 5 9.593 -4.379 -4.460 33 HE3 LYS 5 HE3 LYS 5 8.879 -5.713 -3.556 34 HZ1 LYS 5 HZ1 LYS 5 8.999 -6.558 -6.177 35 HZ2 LYS 5 HZ2 LYS 5 9.976 -7.070 -4.895 36 HZ3 LYS 5 HZ3 LYS 5 10.484 -5.799 -5.888 37 H TRP 6 H TRP 6 6.186 -0.831 -0.326 38 HA TRP 6 HA TRP 6 7.300 1.541 -0.943 39 HB2 TRP 6 HB2 TRP 6 7.424 2.026 1.341 40 HB3 TRP 6 HB3 TRP 6 6.230 0.733 1.275 41 HD1 TRP 6 HD1 TRP 6 9.076 1.718 3.254 42 HE1 TRP 6 HE1 TRP 6 10.115 -0.278 4.505 43 HE3 TRP 6 HE3 TRP 6 6.864 -2.101 0.670 44 HZ2 TRP 6 HZ2 TRP 6 10.010 -3.098 4.408 45 HZ3 TRP 6 HZ3 TRP 6 7.389 -4.418 1.312 46 HH2 TRP 6 HH2 TRP 6 8.930 -4.904 3.142 47 H NLE 7 H NLE 7 8.946 -1.375 -0.172 48 HA NLE 7 HA NLE 7 11.527 -0.555 0.665 49 HB2 NLE 7 HB2 NLE 7 10.643 -2.889 0.575 50 HB3 NLE 7 HB3 NLE 7 10.907 -2.943 -1.166 51 HG2 NLE 7 HG2 NLE 7 13.215 -3.254 -0.937 52 HG3 NLE 7 HG3 NLE 7 13.364 -2.127 0.406 53 HD2 NLE 7 HD2 NLE 7 13.389 -3.853 1.913 54 HD3 NLE 7 HD3 NLE 7 11.816 -4.433 1.354 55 HE1 NLE 7 HE1 NLE 7 14.442 -5.048 0.091 56 HE2 NLE 7 HE2 NLE 7 13.516 -6.072 1.030 57 HE3 NLE 7 HE3 NLE 7 12.956 -5.589 -0.463 58 H TRP 8 H TRP 8 10.186 0.138 -2.449 59 HA TRP 8 HA TRP 8 12.296 0.168 -4.196 60 HB2 TRP 8 HB2 TRP 8 10.239 2.367 -3.914 61 HB3 TRP 8 HB3 TRP 8 11.182 1.998 -5.355 62 HD1 TRP 8 HD1 TRP 8 10.723 -1.233 -5.143 63 HE1 TRP 8 HE1 TRP 8 8.434 -2.167 -5.858 64 HE3 TRP 8 HE3 TRP 8 7.943 3.035 -4.727 65 HZ2 TRP 8 HZ2 TRP 8 5.796 -1.218 -6.201 66 HZ3 TRP 8 HZ3 TRP 8 5.544 2.938 -5.268 67 HH2 TRP 8 HH2 TRP 8 4.495 0.855 -5.989 68 H THR 9 H THR 9 13.540 2.105 -4.985 69 HA THR 9 HA THR 9 14.999 3.223 -2.753 70 HB THR 9 HB THR 9 16.321 4.321 -4.716 71 HG1 THR 9 HG1 THR 9 14.768 3.841 -6.337 72 HG21 THR 9 HG21 THR 9 17.797 2.595 -4.572 73 HG22 THR 9 HG22 THR 9 16.560 1.371 -4.849 74 HG23 THR 9 HG23 THR 9 16.723 2.113 -3.260 75 H CYS 10 H CYS 10 12.862 4.401 -2.207 76 HA CYS 10 HA CYS 10 11.701 6.450 -3.508 77 HB2 CYS 10 HB2 CYS 10 11.118 7.399 -1.428 78 HB3 CYS 10 HB3 CYS 10 11.337 5.684 -1.094 79 H ASP 11 H ASP 11 12.065 8.625 -3.910 80 HA ASP 11 HA ASP 11 14.771 9.639 -3.386 81 HB2 ASP 11 HB2 ASP 11 13.513 9.126 -5.986 82 HB3 ASP 11 HB3 ASP 11 14.167 10.753 -5.825 83 H SER 12 H SER 12 12.039 10.957 -5.226 84 HA SER 12 HA SER 12 12.102 13.318 -3.490 85 HB2 SER 12 HB2 SER 12 10.753 14.384 -5.305 86 HB3 SER 12 HB3 SER 12 12.327 13.806 -5.851 87 HG SER 12 HG SER 12 11.372 12.430 -7.124 88 H LYS 13 H LYS 13 10.106 10.643 -4.424 89 HA LYS 13 HA LYS 13 8.364 10.919 -2.245 90 HB2 LYS 13 HB2 LYS 13 6.271 11.489 -3.463 91 HB3 LYS 13 HB3 LYS 13 7.421 12.816 -3.393 92 HG2 LYS 13 HG2 LYS 13 8.158 12.211 -5.693 93 HG3 LYS 13 HG3 LYS 13 6.847 11.028 -5.745 94 HD2 LYS 13 HD2 LYS 13 5.210 12.795 -5.427 95 HD3 LYS 13 HD3 LYS 13 6.498 13.992 -5.288 96 HE2 LYS 13 HE2 LYS 13 7.026 12.686 -7.679 97 HE3 LYS 13 HE3 LYS 13 5.270 12.853 -7.653 98 HZ1 LYS 13 HZ1 LYS 13 6.016 15.284 -6.870 99 HZ2 LYS 13 HZ2 LYS 13 5.745 14.871 -8.487 100 HZ3 LYS 13 HZ3 LYS 13 7.322 14.895 -7.872 101 H ARG 14 H ARG 14 8.810 9.732 -5.528 102 HA ARG 14 HA ARG 14 8.318 7.745 -6.529 103 HB2 ARG 14 HB2 ARG 14 9.442 7.198 -3.937 104 HB3 ARG 14 HB3 ARG 14 8.286 5.942 -4.360 105 HG2 ARG 14 HG2 ARG 14 10.622 6.818 -6.043 106 HG3 ARG 14 HG3 ARG 14 10.544 5.357 -5.058 107 HD2 ARG 14 HD2 ARG 14 8.606 4.608 -6.407 108 HD3 ARG 14 HD3 ARG 14 8.809 6.029 -7.433 109 HE ARG 14 HE ARG 14 11.186 4.435 -7.216 110 HH11 ARG 14 HH11 ARG 14 8.162 4.833 -8.895 111 HH12 ARG 14 HH12 ARG 14 8.694 4.007 -10.321 112 HH21 ARG 14 HH21 ARG 14 11.899 3.346 -9.088 113 HH22 ARG 14 HH22 ARG 14 10.820 3.161 -10.430 114 H ALA 15 H ALA 15 6.943 5.526 -5.929 115 HA ALA 15 HA ALA 15 4.224 6.549 -5.587 116 HB1 ALA 15 HB1 ALA 15 5.430 4.225 -6.980 117 HB2 ALA 15 HB2 ALA 15 3.788 4.046 -6.360 118 HB3 ALA 15 HB3 ALA 15 4.162 5.333 -7.507 119 H CYS 16 H CYS 16 6.339 5.727 -3.456 120 HA CYS 16 HA CYS 16 5.396 3.482 -2.071 121 HB2 CYS 16 HB2 CYS 16 6.885 5.945 -1.176 122 HB3 CYS 16 HB3 CYS 16 6.464 4.656 -0.054 123 H CYS 17 H CYS 17 4.786 4.160 0.478 124 HA CYS 17 HA CYS 17 2.145 5.416 0.174 125 HB2 CYS 17 HB2 CYS 17 2.031 4.179 2.593 126 HB3 CYS 17 HB3 CYS 17 1.537 3.433 1.078 127 H GLU 18 H GLU 18 4.024 4.865 3.115 128 HA GLU 18 HA GLU 18 4.201 7.768 3.517 129 HB2 GLU 18 HB2 GLU 18 2.365 6.220 4.841 130 HB3 GLU 18 HB3 GLU 18 3.716 6.226 5.966 131 HG2 GLU 18 HG2 GLU 18 3.649 8.821 5.453 132 HG3 GLU 18 HG3 GLU 18 1.967 8.447 5.087 133 H GLY 19 H GLY 19 6.248 6.057 2.614 134 HA2 GLY 19 HA2 GLY 19 8.125 6.340 4.858 135 HA3 GLY 19 HA3 GLY 19 8.036 4.801 4.013 136 H LEU 20 H LEU 20 7.428 7.277 1.864 137 HA LEU 20 HA LEU 20 9.854 6.846 0.452 138 HB2 LEU 20 HB2 LEU 20 8.964 8.916 -0.855 139 HB3 LEU 20 HB3 LEU 20 8.130 7.366 -0.962 140 HG LEU 20 HG LEU 20 6.731 9.511 -0.701 141 HD11 LEU 20 HD11 LEU 20 5.452 8.079 1.257 142 HD12 LEU 20 HD12 LEU 20 6.438 6.856 0.458 143 HD13 LEU 20 HD13 LEU 20 5.296 7.819 -0.481 144 HD21 LEU 20 HD21 LEU 20 6.492 10.468 1.400 145 HD22 LEU 20 HD22 LEU 20 8.235 10.230 1.270 146 HD23 LEU 20 HD23 LEU 20 7.259 9.108 2.219 147 H ARG 21 H ARG 21 9.218 8.684 3.141 148 HA ARG 21 HA ARG 21 10.856 10.963 2.549 149 HB2 ARG 21 HB2 ARG 21 10.595 11.502 4.928 150 HB3 ARG 21 HB3 ARG 21 9.047 11.122 4.181 151 HG2 ARG 21 HG2 ARG 21 8.699 9.369 5.521 152 HG3 ARG 21 HG3 ARG 21 10.366 8.809 5.375 153 HD2 ARG 21 HD2 ARG 21 10.774 10.990 6.869 154 HD3 ARG 21 HD3 ARG 21 9.128 10.608 7.373 155 HE ARG 21 HE ARG 21 11.509 9.178 8.048 156 HH11 ARG 21 HH11 ARG 21 8.082 8.866 7.523 157 HH12 ARG 21 HH12 ARG 21 7.921 7.469 8.534 158 HH21 ARG 21 HH21 ARG 21 11.311 7.338 9.383 159 HH22 ARG 21 HH22 ARG 21 9.760 6.600 9.592 160 H CYS 22 H CYS 22 12.411 8.959 1.808 161 HA CYS 22 HA CYS 22 14.526 8.973 3.831 162 HB2 CYS 22 HB2 CYS 22 14.968 6.630 3.640 163 HB3 CYS 22 HB3 CYS 22 13.249 6.806 3.977 164 H LYS 23 H LYS 23 16.272 7.270 2.396 165 HA LYS 23 HA LYS 23 16.978 9.062 0.191 166 HB2 LYS 23 HB2 LYS 23 18.540 8.281 2.182 167 HB3 LYS 23 HB3 LYS 23 18.789 6.886 1.139 168 HG2 LYS 23 HG2 LYS 23 20.379 8.058 0.135 169 HG3 LYS 23 HG3 LYS 23 19.099 9.060 -0.551 170 HD2 LYS 23 HD2 LYS 23 19.982 9.699 2.205 171 HD3 LYS 23 HD3 LYS 23 21.108 10.065 0.895 172 HE2 LYS 23 HE2 LYS 23 19.796 11.706 0.044 173 HE3 LYS 23 HE3 LYS 23 18.299 10.882 0.479 174 HZ1 LYS 23 HZ1 LYS 23 19.701 11.675 2.807 175 HZ2 LYS 23 HZ2 LYS 23 18.145 12.104 2.304 176 HZ3 LYS 23 HZ3 LYS 23 19.479 13.009 1.789 177 H LEU 24 H LEU 24 16.396 5.660 0.916 178 HA LEU 24 HA LEU 24 15.962 5.185 -1.937 179 HB2 LEU 24 HB2 LEU 24 18.007 3.908 -0.223 180 HB3 LEU 24 HB3 LEU 24 17.102 2.843 -1.296 181 HG LEU 24 HG LEU 24 17.800 4.384 -3.188 182 HD11 LEU 24 HD11 LEU 24 18.971 5.775 -0.949 183 HD12 LEU 24 HD12 LEU 24 18.782 6.293 -2.624 184 HD13 LEU 24 HD13 LEU 24 20.192 5.350 -2.148 185 HD21 LEU 24 HD21 LEU 24 20.105 3.053 -1.786 186 HD22 LEU 24 HD22 LEU 24 19.833 3.234 -3.518 187 HD23 LEU 24 HD23 LEU 24 18.817 2.143 -2.576 188 H TRP 25 H TRP 25 16.253 2.628 0.409 189 HA TRP 25 HA TRP 25 13.705 1.582 -0.120 190 HB2 TRP 25 HB2 TRP 25 14.726 -0.139 0.884 191 HB3 TRP 25 HB3 TRP 25 15.960 0.923 1.551 192 HD1 TRP 25 HD1 TRP 25 12.385 -0.298 2.416 193 HE1 TRP 25 HE1 TRP 25 12.162 -0.342 4.980 194 HE3 TRP 25 HE3 TRP 25 16.934 1.677 3.661 195 HZ2 TRP 25 HZ2 TRP 25 13.710 0.368 7.232 196 HZ3 TRP 25 HZ3 TRP 25 17.484 1.961 6.041 197 HH2 TRP 25 HH2 TRP 25 15.904 1.321 7.789 198 H CYS 26 H CYS 26 11.884 2.669 0.279 199 HA CYS 26 HA CYS 26 11.330 4.730 1.901 200 HB2 CYS 26 HB2 CYS 26 9.613 2.340 1.256 201 HB3 CYS 26 HB3 CYS 26 8.991 3.703 2.182 202 H ARG 27 H ARG 27 11.253 5.185 4.009 203 HA ARG 27 HA ARG 27 11.928 3.104 5.907 204 HB2 ARG 27 HB2 ARG 27 11.721 6.095 6.022 205 HB3 ARG 27 HB3 ARG 27 11.767 5.160 7.510 206 HG2 ARG 27 HG2 ARG 27 13.927 4.373 7.089 207 HG3 ARG 27 HG3 ARG 27 13.848 4.818 5.383 208 HD2 ARG 27 HD2 ARG 27 14.719 6.809 5.836 209 HD3 ARG 27 HD3 ARG 27 13.408 7.149 6.966 210 HE ARG 27 HE ARG 27 15.070 5.577 8.407 211 HH11 ARG 27 HH11 ARG 27 15.547 8.473 6.534 212 HH12 ARG 27 HH12 ARG 27 16.858 9.046 7.512 213 HH21 ARG 27 HH21 ARG 27 16.796 6.322 9.702 214 HH22 ARG 27 HH22 ARG 27 17.567 7.820 9.311 215 H LYS 28 H LYS 28 9.314 2.986 4.647 216 HA LYS 28 HA LYS 28 7.294 3.901 6.401 217 HB2 LYS 28 HB2 LYS 28 7.330 2.772 3.910 218 HB3 LYS 28 HB3 LYS 28 6.702 1.448 4.885 219 HG2 LYS 28 HG2 LYS 28 5.480 4.041 4.186 220 HG3 LYS 28 HG3 LYS 28 4.740 2.452 4.400 221 HD2 LYS 28 HD2 LYS 28 5.336 2.816 6.910 222 HD3 LYS 28 HD3 LYS 28 5.426 4.519 6.452 223 HE2 LYS 28 HE2 LYS 28 3.116 4.184 5.420 224 HE3 LYS 28 HE3 LYS 28 3.066 2.663 6.309 225 HZ1 LYS 28 HZ1 LYS 28 2.434 3.777 8.096 226 HZ2 LYS 28 HZ2 LYS 28 2.506 5.240 7.249 227 HZ3 LYS 28 HZ3 LYS 28 3.869 4.675 8.075 228 H ILE 29 H ILE 29 5.988 1.138 6.366 229 HA ILE 29 HA ILE 29 6.413 0.469 9.039 230 HB ILE 29 HB ILE 29 5.094 -1.464 8.680 231 HG12 ILE 29 HG12 ILE 29 6.399 -2.387 6.798 232 HG13 ILE 29 HG13 ILE 29 4.666 -2.436 6.485 233 HG21 ILE 29 HG21 ILE 29 4.359 1.055 7.590 234 HG22 ILE 29 HG22 ILE 29 3.641 -0.213 6.595 235 HG23 ILE 29 HG23 ILE 29 3.327 -0.170 8.329 236 HD11 ILE 29 HD11 ILE 29 4.990 -0.278 5.203 237 HD12 ILE 29 HD12 ILE 29 6.720 -0.599 5.306 238 HD13 ILE 29 HD13 ILE 29 5.658 -1.741 4.481 239 H ILE 30 H ILE 30 8.299 -0.241 6.278 240 HA ILE 30 HA ILE 30 10.270 -1.348 6.012 241 HB ILE 30 HB ILE 30 10.266 -1.874 8.980 242 HG12 ILE 30 HG12 ILE 30 9.936 0.460 8.867 243 HG13 ILE 30 HG13 ILE 30 11.677 0.267 9.036 244 HG21 ILE 30 HG21 ILE 30 12.168 -2.209 6.794 245 HG22 ILE 30 HG22 ILE 30 12.830 -1.342 8.178 246 HG23 ILE 30 HG23 ILE 30 12.138 -2.948 8.393 247 HD11 ILE 30 HD11 ILE 30 10.147 0.902 6.530 248 HD12 ILE 30 HD12 ILE 30 11.265 1.948 7.407 249 HD13 ILE 30 HD13 ILE 30 11.867 0.517 6.568 Start of MODEL 3 1 H1 ARG 1 H GLY 1 -0.058 -8.007 0.108 2 HA ARG 1 HA2 GLY 1 0.046 -7.497 2.423 3 H TYR 2 H TYR 2 0.917 -5.092 3.488 4 HA TYR 2 HA TYR 2 -0.994 -3.293 2.318 5 HB2 TYR 2 HB2 TYR 2 0.949 -2.770 4.575 6 HB3 TYR 2 HB3 TYR 2 -0.496 -1.840 4.192 7 HD1 TYR 2 HD1 TYR 2 0.796 -4.905 5.708 8 HD2 TYR 2 HD2 TYR 2 -2.712 -2.711 4.721 9 HE1 TYR 2 HE1 TYR 2 -0.516 -6.338 7.214 10 HE2 TYR 2 HE2 TYR 2 -4.034 -4.135 6.227 11 HH TYR 2 HH TYR 2 -2.702 -7.000 7.686 12 H CYS 3 H CYS 3 -0.340 -0.919 2.076 13 HA CYS 3 HA CYS 3 0.720 0.623 0.778 14 HB2 CYS 3 HB2 CYS 3 2.940 -0.763 2.223 15 HB3 CYS 3 HB3 CYS 3 3.342 0.408 0.971 16 H GLN 4 H GLN 4 2.917 0.670 -0.798 17 HA GLN 4 HA GLN 4 2.496 -1.559 -2.677 18 HB2 GLN 4 HB2 GLN 4 3.337 1.082 -3.742 19 HB3 GLN 4 HB3 GLN 4 2.301 -0.145 -4.460 20 HG2 GLN 4 HG2 GLN 4 1.473 1.650 -2.192 21 HG3 GLN 4 HG3 GLN 4 1.145 1.978 -3.893 22 HE21 GLN 4 HE21 GLN 4 0.337 -0.297 -4.935 23 HE22 GLN 4 HE22 GLN 4 -1.064 -0.914 -4.134 24 H LYS 5 H LYS 5 4.306 -2.669 -1.869 25 HA LYS 5 HA LYS 5 6.544 -3.053 -1.428 26 HB2 LYS 5 HB2 LYS 5 6.275 -2.240 -4.300 27 HB3 LYS 5 HB3 LYS 5 7.858 -2.651 -3.654 28 HG2 LYS 5 HG2 LYS 5 7.391 -4.765 -4.115 29 HG3 LYS 5 HG3 LYS 5 6.208 -4.716 -2.807 30 HD2 LYS 5 HD2 LYS 5 4.968 -5.475 -4.629 31 HD3 LYS 5 HD3 LYS 5 4.609 -3.746 -4.581 32 HE2 LYS 5 HE2 LYS 5 6.680 -3.617 -6.203 33 HE3 LYS 5 HE3 LYS 5 6.257 -5.299 -6.517 34 HZ1 LYS 5 HZ1 LYS 5 4.777 -4.512 -7.949 35 HZ2 LYS 5 HZ2 LYS 5 4.976 -2.920 -7.419 36 HZ3 LYS 5 HZ3 LYS 5 3.881 -3.942 -6.634 37 H TRP 6 H TRP 6 6.004 -0.692 -0.228 38 HA TRP 6 HA TRP 6 7.175 1.642 -0.887 39 HB2 TRP 6 HB2 TRP 6 7.304 2.165 1.384 40 HB3 TRP 6 HB3 TRP 6 6.083 0.898 1.345 41 HD1 TRP 6 HD1 TRP 6 8.934 1.863 3.318 42 HE1 TRP 6 HE1 TRP 6 9.938 -0.130 4.602 43 HE3 TRP 6 HE3 TRP 6 6.681 -1.961 0.780 44 HZ2 TRP 6 HZ2 TRP 6 9.794 -2.948 4.546 45 HZ3 TRP 6 HZ3 TRP 6 7.167 -4.276 1.457 46 HH2 TRP 6 HH2 TRP 6 8.693 -4.757 3.303 47 H NLE 7 H NLE 7 8.750 -1.299 -0.064 48 HA NLE 7 HA NLE 7 11.348 -0.532 0.766 49 HB2 NLE 7 HB2 NLE 7 10.400 -2.848 0.694 50 HB3 NLE 7 HB3 NLE 7 10.683 -2.924 -1.045 51 HG2 NLE 7 HG2 NLE 7 12.974 -3.296 -0.784 52 HG3 NLE 7 HG3 NLE 7 13.143 -2.148 0.538 53 HD2 NLE 7 HD2 NLE 7 13.117 -3.846 2.076 54 HD3 NLE 7 HD3 NLE 7 11.530 -4.391 1.520 55 HE1 NLE 7 HE1 NLE 7 14.141 -5.106 0.283 56 HE2 NLE 7 HE2 NLE 7 13.186 -6.083 1.237 57 HE3 NLE 7 HE3 NLE 7 12.644 -5.616 -0.269 58 H TRP 8 H TRP 8 10.033 0.133 -2.372 59 HA TRP 8 HA TRP 8 12.157 0.103 -4.101 60 HB2 TRP 8 HB2 TRP 8 10.127 2.336 -3.877 61 HB3 TRP 8 HB3 TRP 8 11.077 1.921 -5.304 62 HD1 TRP 8 HD1 TRP 8 10.565 -1.299 -5.017 63 HE1 TRP 8 HE1 TRP 8 8.266 -2.213 -5.732 64 HE3 TRP 8 HE3 TRP 8 7.851 3.025 -4.738 65 HZ2 TRP 8 HZ2 TRP 8 5.651 -1.229 -6.126 66 HZ3 TRP 8 HZ3 TRP 8 5.458 2.952 -5.300 67 HH2 TRP 8 HH2 TRP 8 4.382 0.870 -5.981 68 H THR 9 H THR 9 13.442 2.000 -4.911 69 HA THR 9 HA THR 9 14.895 3.142 -2.689 70 HB THR 9 HB THR 9 16.264 4.180 -4.632 71 HG1 THR 9 HG1 THR 9 15.807 3.490 -6.615 72 HG21 THR 9 HG21 THR 9 17.684 2.447 -4.384 73 HG22 THR 9 HG22 THR 9 16.480 1.259 -4.885 74 HG23 THR 9 HG23 THR 9 16.491 1.860 -3.227 75 H CYS 10 H CYS 10 12.799 4.367 -2.150 76 HA CYS 10 HA CYS 10 11.653 6.402 -3.488 77 HB2 CYS 10 HB2 CYS 10 11.100 7.405 -1.424 78 HB3 CYS 10 HB3 CYS 10 11.287 5.693 -1.061 79 H ASP 11 H ASP 11 12.048 8.553 -3.959 80 HA ASP 11 HA ASP 11 14.794 9.510 -3.516 81 HB2 ASP 11 HB2 ASP 11 13.195 9.554 -6.074 82 HB3 ASP 11 HB3 ASP 11 14.580 10.609 -5.810 83 H SER 12 H SER 12 11.992 10.929 -5.168 84 HA SER 12 HA SER 12 12.164 13.205 -3.312 85 HB2 SER 12 HB2 SER 12 10.500 13.665 -5.644 86 HB3 SER 12 HB3 SER 12 11.913 14.559 -5.085 87 HG SER 12 HG SER 12 11.842 13.175 -7.209 88 H LYS 13 H LYS 13 10.166 10.626 -4.367 89 HA LYS 13 HA LYS 13 8.302 10.930 -2.307 90 HB2 LYS 13 HB2 LYS 13 7.754 12.523 -4.657 91 HB3 LYS 13 HB3 LYS 13 6.480 11.338 -4.399 92 HG2 LYS 13 HG2 LYS 13 6.582 12.212 -1.935 93 HG3 LYS 13 HG3 LYS 13 7.321 13.627 -2.688 94 HD2 LYS 13 HD2 LYS 13 5.309 13.540 -4.301 95 HD3 LYS 13 HD3 LYS 13 4.572 12.493 -3.085 96 HE2 LYS 13 HE2 LYS 13 5.717 15.198 -2.435 97 HE3 LYS 13 HE3 LYS 13 4.041 14.969 -2.928 98 HZ1 LYS 13 HZ1 LYS 13 4.841 13.186 -0.831 99 HZ2 LYS 13 HZ2 LYS 13 3.496 14.208 -0.923 100 HZ3 LYS 13 HZ3 LYS 13 4.983 14.813 -0.384 101 H ARG 14 H ARG 14 8.850 9.787 -5.599 102 HA ARG 14 HA ARG 14 8.333 7.832 -6.654 103 HB2 ARG 14 HB2 ARG 14 9.515 7.240 -4.129 104 HB3 ARG 14 HB3 ARG 14 8.282 6.029 -4.449 105 HG2 ARG 14 HG2 ARG 14 9.495 6.064 -6.838 106 HG3 ARG 14 HG3 ARG 14 10.849 6.527 -5.807 107 HD2 ARG 14 HD2 ARG 14 11.067 4.453 -5.023 108 HD3 ARG 14 HD3 ARG 14 9.344 4.343 -4.659 109 HE ARG 14 HE ARG 14 9.027 3.215 -6.634 110 HH11 ARG 14 HH11 ARG 14 12.200 4.647 -6.608 111 HH12 ARG 14 HH12 ARG 14 12.727 3.822 -8.038 112 HH21 ARG 14 HH21 ARG 14 9.707 2.124 -8.516 113 HH22 ARG 14 HH22 ARG 14 11.308 2.386 -9.124 114 H ALA 15 H ALA 15 6.965 5.577 -6.002 115 HA ALA 15 HA ALA 15 4.240 6.607 -5.718 116 HB1 ALA 15 HB1 ALA 15 4.403 5.367 -7.679 117 HB2 ALA 15 HB2 ALA 15 5.392 4.116 -6.921 118 HB3 ALA 15 HB3 ALA 15 3.676 4.235 -6.537 119 H CYS 16 H CYS 16 6.326 5.830 -3.546 120 HA CYS 16 HA CYS 16 5.344 3.605 -2.141 121 HB2 CYS 16 HB2 CYS 16 6.905 6.038 -1.294 122 HB3 CYS 16 HB3 CYS 16 6.437 4.793 -0.140 123 H CYS 17 H CYS 17 4.764 4.345 0.403 124 HA CYS 17 HA CYS 17 2.113 5.563 0.080 125 HB2 CYS 17 HB2 CYS 17 2.067 4.556 2.590 126 HB3 CYS 17 HB3 CYS 17 1.616 3.630 1.162 127 H GLU 18 H GLU 18 4.159 5.343 2.965 128 HA GLU 18 HA GLU 18 4.269 8.269 3.096 129 HB2 GLU 18 HB2 GLU 18 2.337 7.243 4.466 130 HB3 GLU 18 HB3 GLU 18 3.598 6.651 5.541 131 HG2 GLU 18 HG2 GLU 18 3.615 8.597 6.580 132 HG3 GLU 18 HG3 GLU 18 4.111 9.387 5.084 133 H GLY 19 H GLY 19 6.147 5.937 2.606 134 HA2 GLY 19 HA2 GLY 19 8.080 6.575 4.750 135 HA3 GLY 19 HA3 GLY 19 8.005 5.013 3.950 136 H LEU 20 H LEU 20 7.428 7.416 1.714 137 HA LEU 20 HA LEU 20 9.864 6.944 0.342 138 HB2 LEU 20 HB2 LEU 20 9.010 8.995 -1.014 139 HB3 LEU 20 HB3 LEU 20 8.156 7.456 -1.096 140 HG LEU 20 HG LEU 20 6.789 9.629 -0.890 141 HD11 LEU 20 HD11 LEU 20 5.326 7.961 -0.657 142 HD12 LEU 20 HD12 LEU 20 5.465 8.249 1.077 143 HD13 LEU 20 HD13 LEU 20 6.444 6.998 0.313 144 HD21 LEU 20 HD21 LEU 20 6.534 10.615 1.201 145 HD22 LEU 20 HD22 LEU 20 8.276 10.368 1.077 146 HD23 LEU 20 HD23 LEU 20 7.293 9.264 2.040 147 H ARG 21 H ARG 21 9.213 8.854 2.984 148 HA ARG 21 HA ARG 21 10.902 11.089 2.358 149 HB2 ARG 21 HB2 ARG 21 10.593 11.710 4.706 150 HB3 ARG 21 HB3 ARG 21 9.056 11.322 3.945 151 HG2 ARG 21 HG2 ARG 21 8.664 9.629 5.344 152 HG3 ARG 21 HG3 ARG 21 10.323 9.037 5.239 153 HD2 ARG 21 HD2 ARG 21 9.980 9.688 7.490 154 HD3 ARG 21 HD3 ARG 21 10.982 10.937 6.749 155 HE ARG 21 HE ARG 21 9.314 12.438 7.150 156 HH11 ARG 21 HH11 ARG 21 7.971 9.228 7.255 157 HH12 ARG 21 HH12 ARG 21 6.404 9.758 7.773 158 HH21 ARG 21 HH21 ARG 21 7.255 13.150 7.830 159 HH22 ARG 21 HH22 ARG 21 5.999 11.989 8.098 160 H CYS 22 H CYS 22 12.412 8.991 1.728 161 HA CYS 22 HA CYS 22 14.492 9.045 3.787 162 HB2 CYS 22 HB2 CYS 22 14.893 6.684 3.664 163 HB3 CYS 22 HB3 CYS 22 13.180 6.915 3.996 164 H LYS 23 H LYS 23 16.197 7.216 2.418 165 HA LYS 23 HA LYS 23 17.017 8.939 0.194 166 HB2 LYS 23 HB2 LYS 23 18.507 8.122 2.229 167 HB3 LYS 23 HB3 LYS 23 18.725 6.710 1.204 168 HG2 LYS 23 HG2 LYS 23 20.150 7.774 -0.124 169 HG3 LYS 23 HG3 LYS 23 19.096 9.183 -0.258 170 HD2 LYS 23 HD2 LYS 23 20.658 8.700 2.249 171 HD3 LYS 23 HD3 LYS 23 21.437 9.435 0.845 172 HE2 LYS 23 HE2 LYS 23 20.456 11.400 1.231 173 HE3 LYS 23 HE3 LYS 23 18.869 10.650 1.398 174 HZ1 LYS 23 HZ1 LYS 23 19.516 10.051 3.700 175 HZ2 LYS 23 HZ2 LYS 23 19.415 11.718 3.439 176 HZ3 LYS 23 HZ3 LYS 23 20.927 10.964 3.512 177 H LEU 24 H LEU 24 16.355 5.555 0.975 178 HA LEU 24 HA LEU 24 15.916 5.050 -1.876 179 HB2 LEU 24 HB2 LEU 24 17.892 3.734 -0.112 180 HB3 LEU 24 HB3 LEU 24 16.973 2.687 -1.193 181 HG LEU 24 HG LEU 24 17.757 4.148 -3.091 182 HD11 LEU 24 HD11 LEU 24 20.124 5.144 -2.042 183 HD12 LEU 24 HD12 LEU 24 18.894 5.598 -0.864 184 HD13 LEU 24 HD13 LEU 24 18.718 6.078 -2.553 185 HD21 LEU 24 HD21 LEU 24 20.008 2.849 -1.583 186 HD22 LEU 24 HD22 LEU 24 19.800 2.990 -3.328 187 HD23 LEU 24 HD23 LEU 24 18.745 1.927 -2.396 188 H TRP 25 H TRP 25 16.097 2.524 0.511 189 HA TRP 25 HA TRP 25 13.527 1.548 -0.026 190 HB2 TRP 25 HB2 TRP 25 14.432 -0.188 1.052 191 HB3 TRP 25 HB3 TRP 25 15.748 0.827 1.637 192 HD1 TRP 25 HD1 TRP 25 12.249 -0.403 2.680 193 HE1 TRP 25 HE1 TRP 25 12.063 -0.226 5.241 194 HE3 TRP 25 HE3 TRP 25 16.673 1.965 3.656 195 HZ2 TRP 25 HZ2 TRP 25 13.589 0.782 7.390 196 HZ3 TRP 25 HZ3 TRP 25 17.234 2.500 5.992 197 HH2 TRP 25 HH2 TRP 25 15.721 1.921 7.820 198 H CYS 26 H CYS 26 11.718 2.655 0.343 199 HA CYS 26 HA CYS 26 11.210 4.779 1.911 200 HB2 CYS 26 HB2 CYS 26 9.435 2.427 1.282 201 HB3 CYS 26 HB3 CYS 26 8.839 3.819 2.181 202 H ARG 27 H ARG 27 11.004 5.276 4.015 203 HA ARG 27 HA ARG 27 11.493 3.142 5.954 204 HB2 ARG 27 HB2 ARG 27 11.681 6.148 6.136 205 HB3 ARG 27 HB3 ARG 27 11.852 5.092 7.533 206 HG2 ARG 27 HG2 ARG 27 13.835 4.142 6.705 207 HG3 ARG 27 HG3 ARG 27 13.569 4.798 5.090 208 HD2 ARG 27 HD2 ARG 27 13.844 7.073 6.001 209 HD3 ARG 27 HD3 ARG 27 14.181 6.377 7.585 210 HE ARG 27 HE ARG 27 15.977 5.210 5.856 211 HH11 ARG 27 HH11 ARG 27 15.198 8.439 6.899 212 HH12 ARG 27 HH12 ARG 27 16.812 9.036 6.691 213 HH21 ARG 27 HH21 ARG 27 18.104 5.984 5.577 214 HH22 ARG 27 HH22 ARG 27 18.463 7.638 5.937 215 H LYS 28 H LYS 28 9.369 2.263 5.921 216 HA LYS 28 HA LYS 28 7.510 3.760 7.614 217 HB2 LYS 28 HB2 LYS 28 7.077 3.051 4.816 218 HB3 LYS 28 HB3 LYS 28 5.818 2.427 5.873 219 HG2 LYS 28 HG2 LYS 28 6.689 5.296 5.950 220 HG3 LYS 28 HG3 LYS 28 5.440 4.714 4.848 221 HD2 LYS 28 HD2 LYS 28 5.294 4.171 7.796 222 HD3 LYS 28 HD3 LYS 28 4.714 5.692 7.116 223 HE2 LYS 28 HE2 LYS 28 3.524 3.941 5.451 224 HE3 LYS 28 HE3 LYS 28 3.595 2.966 6.918 225 HZ1 LYS 28 HZ1 LYS 28 2.231 4.408 8.048 226 HZ2 LYS 28 HZ2 LYS 28 1.573 4.497 6.494 227 HZ3 LYS 28 HZ3 LYS 28 2.590 5.728 7.052 228 H ILE 29 H ILE 29 7.007 0.765 5.804 229 HA ILE 29 HA ILE 29 6.656 -0.633 8.362 230 HB ILE 29 HB ILE 29 5.553 -2.402 6.962 231 HG12 ILE 29 HG12 ILE 29 6.742 -1.332 4.843 232 HG13 ILE 29 HG13 ILE 29 5.198 -2.164 4.705 233 HG21 ILE 29 HG21 ILE 29 4.077 -1.031 8.120 234 HG22 ILE 29 HG22 ILE 29 4.488 0.389 7.159 235 HG23 ILE 29 HG23 ILE 29 3.518 -0.904 6.452 236 HD11 ILE 29 HD11 ILE 29 5.602 0.190 3.614 237 HD12 ILE 29 HD12 ILE 29 4.043 -0.242 4.317 238 HD13 ILE 29 HD13 ILE 29 5.176 0.755 5.228 239 H ILE 30 H ILE 30 9.131 -0.539 8.352 240 HA ILE 30 HA ILE 30 10.660 -2.101 6.598 241 HB ILE 30 HB ILE 30 11.473 -1.935 9.458 242 HG12 ILE 30 HG12 ILE 30 10.546 0.231 9.289 243 HG13 ILE 30 HG13 ILE 30 12.259 0.448 8.947 244 HG21 ILE 30 HG21 ILE 30 12.786 -1.751 6.776 245 HG22 ILE 30 HG22 ILE 30 13.604 -1.159 8.219 246 HG23 ILE 30 HG23 ILE 30 13.125 -2.852 8.109 247 HD11 ILE 30 HD11 ILE 30 10.053 1.216 7.381 248 HD12 ILE 30 HD12 ILE 30 11.769 1.385 7.009 249 HD13 ILE 30 HD13 ILE 30 10.894 -0.062 6.503 Start of MODEL 4 1 H1 ARG 1 H GLY 1 2.055 -6.848 1.270 2 HA ARG 1 HA2 GLY 1 0.350 -6.553 2.818 3 H TYR 2 H TYR 2 0.457 -3.663 4.091 4 HA TYR 2 HA TYR 2 -1.756 -2.683 2.451 5 HB2 TYR 2 HB2 TYR 2 -0.826 -1.690 5.153 6 HB3 TYR 2 HB3 TYR 2 -2.338 -1.290 4.344 7 HD1 TYR 2 HD1 TYR 2 -0.990 -3.190 6.886 8 HD2 TYR 2 HD2 TYR 2 -3.701 -3.538 3.626 9 HE1 TYR 2 HE1 TYR 2 -2.079 -5.090 8.005 10 HE2 TYR 2 HE2 TYR 2 -4.800 -5.439 4.735 11 HH TYR 2 HH TYR 2 -3.761 -7.264 6.715 12 H CYS 3 H CYS 3 0.723 -2.391 1.261 13 HA CYS 3 HA CYS 3 0.837 0.494 0.990 14 HB2 CYS 3 HB2 CYS 3 2.976 -1.100 2.273 15 HB3 CYS 3 HB3 CYS 3 3.506 0.064 1.062 16 H GLN 4 H GLN 4 2.999 0.795 -0.600 17 HA GLN 4 HA GLN 4 2.531 -1.085 -2.820 18 HB2 GLN 4 HB2 GLN 4 3.396 1.598 -3.606 19 HB3 GLN 4 HB3 GLN 4 2.113 0.593 -4.262 20 HG2 GLN 4 HG2 GLN 4 1.871 2.165 -1.713 21 HG3 GLN 4 HG3 GLN 4 1.357 2.756 -3.292 22 HE21 GLN 4 HE21 GLN 4 0.078 0.803 -4.459 23 HE22 GLN 4 HE22 GLN 4 -1.257 0.235 -3.522 24 H LYS 5 H LYS 5 4.365 -2.296 -2.195 25 HA LYS 5 HA LYS 5 6.617 -2.722 -1.859 26 HB2 LYS 5 HB2 LYS 5 6.255 -1.552 -4.595 27 HB3 LYS 5 HB3 LYS 5 7.862 -2.019 -4.053 28 HG2 LYS 5 HG2 LYS 5 7.064 -3.876 -5.216 29 HG3 LYS 5 HG3 LYS 5 6.841 -4.290 -3.514 30 HD2 LYS 5 HD2 LYS 5 4.667 -4.599 -3.865 31 HD3 LYS 5 HD3 LYS 5 4.509 -2.932 -4.421 32 HE2 LYS 5 HE2 LYS 5 4.495 -3.524 -6.597 33 HE3 LYS 5 HE3 LYS 5 5.687 -4.802 -6.362 34 HZ1 LYS 5 HZ1 LYS 5 2.827 -4.966 -6.421 35 HZ2 LYS 5 HZ2 LYS 5 3.488 -5.722 -5.058 36 HZ3 LYS 5 HZ3 LYS 5 3.981 -6.188 -6.608 37 H TRP 6 H TRP 6 6.113 -0.546 -0.344 38 HA TRP 6 HA TRP 6 7.248 1.865 -0.721 39 HB2 TRP 6 HB2 TRP 6 7.467 2.075 1.596 40 HB3 TRP 6 HB3 TRP 6 6.248 0.815 1.427 41 HD1 TRP 6 HD1 TRP 6 9.190 1.522 3.390 42 HE1 TRP 6 HE1 TRP 6 10.239 -0.620 4.357 43 HE3 TRP 6 HE3 TRP 6 6.801 -1.936 0.479 44 HZ2 TRP 6 HZ2 TRP 6 10.075 -3.406 3.943 45 HZ3 TRP 6 HZ3 TRP 6 7.304 -4.319 0.829 46 HH2 TRP 6 HH2 TRP 6 8.907 -5.038 2.524 47 H NLE 7 H NLE 7 8.873 -1.143 -0.338 48 HA NLE 7 HA NLE 7 11.497 -0.453 0.476 49 HB2 NLE 7 HB2 NLE 7 10.590 -2.751 0.179 50 HB3 NLE 7 HB3 NLE 7 10.749 -2.619 -1.571 51 HG2 NLE 7 HG2 NLE 7 13.062 -2.971 -1.515 52 HG3 NLE 7 HG3 NLE 7 13.306 -2.009 -0.062 53 HD2 NLE 7 HD2 NLE 7 13.367 -3.891 1.246 54 HD3 NLE 7 HD3 NLE 7 11.771 -4.406 0.682 55 HE1 NLE 7 HE1 NLE 7 14.345 -4.863 -0.745 56 HE2 NLE 7 HE2 NLE 7 13.457 -5.991 0.103 57 HE3 NLE 7 HE3 NLE 7 12.837 -5.340 -1.300 58 H TRP 8 H TRP 8 10.053 0.558 -2.515 59 HA TRP 8 HA TRP 8 12.143 0.771 -4.287 60 HB2 TRP 8 HB2 TRP 8 9.998 2.849 -3.795 61 HB3 TRP 8 HB3 TRP 8 10.964 2.687 -5.259 62 HD1 TRP 8 HD1 TRP 8 10.626 -0.630 -5.222 63 HE1 TRP 8 HE1 TRP 8 8.407 -1.568 -6.128 64 HE3 TRP 8 HE3 TRP 8 7.738 3.570 -4.810 65 HZ2 TRP 8 HZ2 TRP 8 5.782 -0.650 -6.606 66 HZ3 TRP 8 HZ3 TRP 8 5.385 3.456 -5.517 67 HH2 TRP 8 HH2 TRP 8 4.428 1.389 -6.396 68 H THR 9 H THR 9 13.282 2.844 -4.930 69 HA THR 9 HA THR 9 14.784 3.776 -2.647 70 HB THR 9 HB THR 9 16.096 3.304 -4.567 71 HG1 THR 9 HG1 THR 9 15.859 6.132 -4.639 72 HG21 THR 9 HG21 THR 9 15.193 3.430 -6.600 73 HG22 THR 9 HG22 THR 9 15.334 5.185 -6.515 74 HG23 THR 9 HG23 THR 9 13.851 4.393 -5.986 75 H CYS 10 H CYS 10 12.706 4.805 -1.807 76 HA CYS 10 HA CYS 10 11.298 6.873 -2.737 77 HB2 CYS 10 HB2 CYS 10 11.059 7.708 -0.512 78 HB3 CYS 10 HB3 CYS 10 11.268 5.964 -0.381 79 H ASP 11 H ASP 11 11.507 9.024 -3.189 80 HA ASP 11 HA ASP 11 13.709 10.634 -2.492 81 HB2 ASP 11 HB2 ASP 11 14.602 8.928 -4.303 82 HB3 ASP 11 HB3 ASP 11 13.814 10.040 -5.419 83 H SER 12 H SER 12 11.521 10.094 -5.256 84 HA SER 12 HA SER 12 9.813 12.224 -4.718 85 HB2 SER 12 HB2 SER 12 12.312 13.001 -6.028 86 HB3 SER 12 HB3 SER 12 10.879 13.492 -6.930 87 HG SER 12 HG SER 12 11.799 14.331 -4.448 88 H LYS 13 H LYS 13 11.379 10.219 -7.122 89 HA LYS 13 HA LYS 13 9.054 10.363 -8.883 90 HB2 LYS 13 HB2 LYS 13 11.849 9.346 -9.151 91 HB3 LYS 13 HB3 LYS 13 10.605 8.671 -10.195 92 HG2 LYS 13 HG2 LYS 13 10.388 11.519 -10.197 93 HG3 LYS 13 HG3 LYS 13 12.058 11.054 -10.536 94 HD2 LYS 13 HD2 LYS 13 11.297 10.870 -12.653 95 HD3 LYS 13 HD3 LYS 13 10.733 9.291 -12.097 96 HE2 LYS 13 HE2 LYS 13 8.737 9.992 -12.854 97 HE3 LYS 13 HE3 LYS 13 8.673 10.889 -11.340 98 HZ1 LYS 13 HZ1 LYS 13 8.152 12.296 -13.234 99 HZ2 LYS 13 HZ2 LYS 13 9.655 11.955 -13.930 100 HZ3 LYS 13 HZ3 LYS 13 9.573 12.816 -12.475 101 H ARG 14 H ARG 14 9.174 8.993 -6.181 102 HA ARG 14 HA ARG 14 8.532 6.252 -7.021 103 HB2 ARG 14 HB2 ARG 14 9.205 7.404 -4.312 104 HB3 ARG 14 HB3 ARG 14 8.658 5.751 -4.557 105 HG2 ARG 14 HG2 ARG 14 11.172 6.993 -5.652 106 HG3 ARG 14 HG3 ARG 14 11.055 5.797 -4.359 107 HD2 ARG 14 HD2 ARG 14 11.530 4.409 -6.102 108 HD3 ARG 14 HD3 ARG 14 9.773 4.440 -6.233 109 HE ARG 14 HE ARG 14 10.018 5.419 -8.271 110 HH11 ARG 14 HH11 ARG 14 12.894 6.029 -6.406 111 HH12 ARG 14 HH12 ARG 14 13.721 6.834 -7.699 112 HH21 ARG 14 HH21 ARG 14 11.096 6.477 -9.982 113 HH22 ARG 14 HH22 ARG 14 12.696 7.087 -9.733 114 H ALA 15 H ALA 15 6.852 5.325 -5.221 115 HA ALA 15 HA ALA 15 4.636 7.212 -4.919 116 HB1 ALA 15 HB1 ALA 15 3.774 4.582 -5.878 117 HB2 ALA 15 HB2 ALA 15 3.211 6.196 -6.321 118 HB3 ALA 15 HB3 ALA 15 4.669 5.536 -7.062 119 H CYS 16 H CYS 16 6.398 6.106 -2.980 120 HA CYS 16 HA CYS 16 5.417 3.839 -1.670 121 HB2 CYS 16 HB2 CYS 16 6.908 6.258 -0.648 122 HB3 CYS 16 HB3 CYS 16 6.514 4.882 0.378 123 H CYS 17 H CYS 17 4.797 4.414 0.891 124 HA CYS 17 HA CYS 17 2.214 5.809 0.643 125 HB2 CYS 17 HB2 CYS 17 1.979 4.326 2.921 126 HB3 CYS 17 HB3 CYS 17 1.445 3.800 1.327 127 H GLU 18 H GLU 18 3.973 4.828 3.549 128 HA GLU 18 HA GLU 18 4.266 7.662 4.281 129 HB2 GLU 18 HB2 GLU 18 2.331 6.197 5.392 130 HB3 GLU 18 HB3 GLU 18 3.658 5.697 6.431 131 HG2 GLU 18 HG2 GLU 18 4.063 8.291 6.595 132 HG3 GLU 18 HG3 GLU 18 2.356 8.351 6.157 133 H GLY 19 H GLY 19 6.273 6.060 3.160 134 HA2 GLY 19 HA2 GLY 19 8.167 6.019 5.403 135 HA3 GLY 19 HA3 GLY 19 8.027 4.583 4.401 136 H LEU 20 H LEU 20 7.479 7.312 2.551 137 HA LEU 20 HA LEU 20 9.898 6.965 1.085 138 HB2 LEU 20 HB2 LEU 20 9.032 9.152 -0.026 139 HB3 LEU 20 HB3 LEU 20 8.177 7.629 -0.273 140 HG LEU 20 HG LEU 20 6.811 9.761 0.182 141 HD11 LEU 20 HD11 LEU 20 6.477 7.016 1.092 142 HD12 LEU 20 HD12 LEU 20 5.347 8.081 0.254 143 HD13 LEU 20 HD13 LEU 20 5.510 8.173 2.008 144 HD21 LEU 20 HD21 LEU 20 8.322 10.273 2.211 145 HD22 LEU 20 HD22 LEU 20 7.328 9.087 3.056 146 HD23 LEU 20 HD23 LEU 20 6.584 10.530 2.362 147 H ARG 21 H ARG 21 9.296 8.526 3.942 148 HA ARG 21 HA ARG 21 10.928 10.855 3.574 149 HB2 ARG 21 HB2 ARG 21 10.709 11.127 6.005 150 HB3 ARG 21 HB3 ARG 21 9.150 10.833 5.246 151 HG2 ARG 21 HG2 ARG 21 8.821 8.942 6.386 152 HG3 ARG 21 HG3 ARG 21 10.487 8.405 6.162 153 HD2 ARG 21 HD2 ARG 21 9.837 8.829 8.539 154 HD3 ARG 21 HD3 ARG 21 11.243 9.739 7.986 155 HE ARG 21 HE ARG 21 8.837 11.227 7.670 156 HH11 ARG 21 HH11 ARG 21 11.201 10.211 10.015 157 HH12 ARG 21 HH12 ARG 21 10.927 11.560 11.069 158 HH21 ARG 21 HH21 ARG 21 8.469 13.008 9.049 159 HH22 ARG 21 HH22 ARG 21 9.372 13.149 10.518 160 H CYS 22 H CYS 22 12.479 8.960 2.593 161 HA CYS 22 HA CYS 22 14.639 8.779 4.552 162 HB2 CYS 22 HB2 CYS 22 15.069 6.458 4.147 163 HB3 CYS 22 HB3 CYS 22 13.368 6.610 4.571 164 H LYS 23 H LYS 23 16.266 7.121 2.862 165 HA LYS 23 HA LYS 23 16.964 9.122 0.835 166 HB2 LYS 23 HB2 LYS 23 18.562 8.057 2.679 167 HB3 LYS 23 HB3 LYS 23 18.744 6.811 1.450 168 HG2 LYS 23 HG2 LYS 23 20.147 8.072 0.294 169 HG3 LYS 23 HG3 LYS 23 19.007 9.420 0.274 170 HD2 LYS 23 HD2 LYS 23 20.507 8.878 2.784 171 HD3 LYS 23 HD3 LYS 23 21.374 9.620 1.438 172 HE2 LYS 23 HE2 LYS 23 20.435 11.593 1.848 173 HE3 LYS 23 HE3 LYS 23 18.820 10.887 1.802 174 HZ1 LYS 23 HZ1 LYS 23 20.447 11.604 4.068 175 HZ2 LYS 23 HZ2 LYS 23 19.744 10.072 4.197 176 HZ3 LYS 23 HZ3 LYS 23 18.767 11.431 3.953 177 H LEU 24 H LEU 24 16.675 5.592 1.194 178 HA LEU 24 HA LEU 24 16.013 5.452 -1.670 179 HB2 LEU 24 HB2 LEU 24 18.039 3.957 -0.121 180 HB3 LEU 24 HB3 LEU 24 17.084 3.024 -1.272 181 HG LEU 24 HG LEU 24 17.876 4.352 -3.102 182 HD11 LEU 24 HD11 LEU 24 18.788 6.158 -0.935 183 HD12 LEU 24 HD12 LEU 24 18.082 6.535 -2.507 184 HD13 LEU 24 HD13 LEU 24 19.776 6.062 -2.393 185 HD21 LEU 24 HD21 LEU 24 20.169 3.743 -3.119 186 HD22 LEU 24 HD22 LEU 24 19.328 2.524 -2.161 187 HD23 LEU 24 HD23 LEU 24 20.264 3.786 -1.359 188 H TRP 25 H TRP 25 16.251 2.670 0.410 189 HA TRP 25 HA TRP 25 13.656 1.772 -0.173 190 HB2 TRP 25 HB2 TRP 25 14.589 -0.091 0.638 191 HB3 TRP 25 HB3 TRP 25 15.924 0.837 1.311 192 HD1 TRP 25 HD1 TRP 25 12.402 -0.406 2.294 193 HE1 TRP 25 HE1 TRP 25 12.313 -0.611 4.858 194 HE3 TRP 25 HE3 TRP 25 16.988 1.547 3.424 195 HZ2 TRP 25 HZ2 TRP 25 13.969 -0.022 7.067 196 HZ3 TRP 25 HZ3 TRP 25 17.660 1.692 5.786 197 HH2 TRP 25 HH2 TRP 25 16.180 0.924 7.569 198 H CYS 26 H CYS 26 11.836 2.733 0.435 199 HA CYS 26 HA CYS 26 11.387 4.676 2.250 200 HB2 CYS 26 HB2 CYS 26 9.610 2.383 1.441 201 HB3 CYS 26 HB3 CYS 26 9.045 3.654 2.521 202 H ARG 27 H ARG 27 11.286 4.925 4.404 203 HA ARG 27 HA ARG 27 12.065 2.689 6.072 204 HB2 ARG 27 HB2 ARG 27 11.787 5.646 6.483 205 HB3 ARG 27 HB3 ARG 27 11.881 4.574 7.875 206 HG2 ARG 27 HG2 ARG 27 14.055 3.942 7.409 207 HG3 ARG 27 HG3 ARG 27 13.933 4.407 5.711 208 HD2 ARG 27 HD2 ARG 27 15.236 6.099 6.610 209 HD3 ARG 27 HD3 ARG 27 13.620 6.801 6.634 210 HE ARG 27 HE ARG 27 13.840 5.666 9.079 211 HH11 ARG 27 HH11 ARG 27 15.835 7.875 7.276 212 HH12 ARG 27 HH12 ARG 27 16.457 8.670 8.685 213 HH21 ARG 27 HH21 ARG 27 14.651 6.701 10.942 214 HH22 ARG 27 HH22 ARG 27 15.783 8.001 10.770 215 H LYS 28 H LYS 28 9.420 2.645 4.853 216 HA LYS 28 HA LYS 28 7.415 3.319 6.722 217 HB2 LYS 28 HB2 LYS 28 7.502 2.275 4.134 218 HB3 LYS 28 HB3 LYS 28 6.733 1.016 5.093 219 HG2 LYS 28 HG2 LYS 28 5.838 3.850 4.682 220 HG3 LYS 28 HG3 LYS 28 4.989 2.358 4.271 221 HD2 LYS 28 HD2 LYS 28 5.579 2.350 7.065 222 HD3 LYS 28 HD3 LYS 28 4.808 3.881 6.650 223 HE2 LYS 28 HE2 LYS 28 3.694 1.271 5.685 224 HE3 LYS 28 HE3 LYS 28 3.318 1.877 7.297 225 HZ1 LYS 28 HZ1 LYS 28 1.775 2.458 5.331 226 HZ2 LYS 28 HZ2 LYS 28 2.945 3.620 4.956 227 HZ3 LYS 28 HZ3 LYS 28 2.162 3.661 6.454 228 H ILE 29 H ILE 29 6.119 0.610 6.550 229 HA ILE 29 HA ILE 29 6.691 -0.303 9.117 230 HB ILE 29 HB ILE 29 5.333 -2.189 8.666 231 HG12 ILE 29 HG12 ILE 29 6.515 -2.981 6.659 232 HG13 ILE 29 HG13 ILE 29 4.774 -2.948 6.404 233 HG21 ILE 29 HG21 ILE 29 4.552 0.406 7.922 234 HG22 ILE 29 HG22 ILE 29 3.843 -0.691 6.737 235 HG23 ILE 29 HG23 ILE 29 3.523 -0.924 8.454 236 HD11 ILE 29 HD11 ILE 29 6.885 -1.181 5.254 237 HD12 ILE 29 HD12 ILE 29 5.597 -2.074 4.440 238 HD13 ILE 29 HD13 ILE 29 5.215 -0.624 5.368 239 H ILE 30 H ILE 30 8.424 -0.766 6.212 240 HA ILE 30 HA ILE 30 10.378 -1.840 5.753 241 HB ILE 30 HB ILE 30 10.502 -2.687 8.640 242 HG12 ILE 30 HG12 ILE 30 10.148 -0.348 8.780 243 HG13 ILE 30 HG13 ILE 30 11.888 -0.564 8.909 244 HG21 ILE 30 HG21 ILE 30 12.263 -2.864 6.358 245 HG22 ILE 30 HG22 ILE 30 13.023 -1.995 7.690 246 HG23 ILE 30 HG23 ILE 30 12.397 -3.623 7.943 247 HD11 ILE 30 HD11 ILE 30 10.375 0.279 6.450 248 HD12 ILE 30 HD12 ILE 30 11.374 1.308 7.478 249 HD13 ILE 30 HD13 ILE 30 12.116 0.014 6.536 Start of MODEL 5 1 H1 ARG 1 H GLY 1 2.966 -6.446 3.265 2 HA ARG 1 HA2 GLY 1 0.895 -6.446 4.276 3 H TYR 2 H TYR 2 0.436 -3.095 4.417 4 HA TYR 2 HA TYR 2 -1.593 -3.273 2.290 5 HB2 TYR 2 HB2 TYR 2 -2.850 -1.577 3.495 6 HB3 TYR 2 HB3 TYR 2 -2.489 -2.923 4.571 7 HD1 TYR 2 HD1 TYR 2 -2.074 0.615 3.967 8 HD2 TYR 2 HD2 TYR 2 -0.677 -2.671 6.279 9 HE1 TYR 2 HE1 TYR 2 -1.073 2.182 5.580 10 HE2 TYR 2 HE2 TYR 2 0.327 -1.117 7.898 11 HH TYR 2 HH TYR 2 -0.387 1.696 8.432 12 H CYS 3 H CYS 3 1.260 -2.565 1.995 13 HA CYS 3 HA CYS 3 0.937 0.188 0.991 14 HB2 CYS 3 HB2 CYS 3 3.164 -1.152 2.418 15 HB3 CYS 3 HB3 CYS 3 3.618 -0.076 1.102 16 H GLN 4 H GLN 4 3.080 0.418 -0.633 17 HA GLN 4 HA GLN 4 2.688 -1.707 -2.634 18 HB2 GLN 4 HB2 GLN 4 3.449 0.994 -3.578 19 HB3 GLN 4 HB3 GLN 4 2.377 -0.196 -4.308 20 HG2 GLN 4 HG2 GLN 4 1.659 1.469 -1.909 21 HG3 GLN 4 HG3 GLN 4 1.262 1.899 -3.570 22 HE21 GLN 4 HE21 GLN 4 0.407 -0.317 -4.708 23 HE22 GLN 4 HE22 GLN 4 -0.964 -0.975 -3.890 24 H LYS 5 H LYS 5 4.551 -2.802 -1.891 25 HA LYS 5 HA LYS 5 6.808 -3.138 -1.517 26 HB2 LYS 5 HB2 LYS 5 6.429 -2.241 -4.349 27 HB3 LYS 5 HB3 LYS 5 8.049 -2.595 -3.765 28 HG2 LYS 5 HG2 LYS 5 6.841 -4.813 -2.937 29 HG3 LYS 5 HG3 LYS 5 5.778 -4.416 -4.290 30 HD2 LYS 5 HD2 LYS 5 7.293 -5.109 -5.766 31 HD3 LYS 5 HD3 LYS 5 8.543 -4.100 -5.037 32 HE2 LYS 5 HE2 LYS 5 7.730 -6.658 -3.720 33 HE3 LYS 5 HE3 LYS 5 8.825 -6.692 -5.102 34 HZ1 LYS 5 HZ1 LYS 5 9.724 -4.719 -3.342 35 HZ2 LYS 5 HZ2 LYS 5 10.477 -6.178 -3.744 36 HZ3 LYS 5 HZ3 LYS 5 9.420 -6.108 -2.426 37 H TRP 6 H TRP 6 6.213 -0.824 -0.232 38 HA TRP 6 HA TRP 6 7.316 1.559 -0.830 39 HB2 TRP 6 HB2 TRP 6 7.468 2.013 1.456 40 HB3 TRP 6 HB3 TRP 6 6.277 0.717 1.390 41 HD1 TRP 6 HD1 TRP 6 9.135 1.684 3.353 42 HE1 TRP 6 HE1 TRP 6 10.200 -0.323 4.560 43 HE3 TRP 6 HE3 TRP 6 6.929 -2.106 0.727 44 HZ2 TRP 6 HZ2 TRP 6 10.119 -3.142 4.416 45 HZ3 TRP 6 HZ3 TRP 6 7.477 -4.428 1.323 46 HH2 TRP 6 HH2 TRP 6 9.039 -4.934 3.131 47 H NLE 7 H NLE 7 8.976 -1.365 -0.124 48 HA NLE 7 HA NLE 7 11.565 -0.561 0.695 49 HB2 NLE 7 HB2 NLE 7 10.678 -2.895 0.556 50 HB3 NLE 7 HB3 NLE 7 10.937 -2.907 -1.187 51 HG2 NLE 7 HG2 NLE 7 13.241 -3.231 -0.969 52 HG3 NLE 7 HG3 NLE 7 13.400 -2.121 0.385 53 HD2 NLE 7 HD2 NLE 7 13.426 -3.861 1.877 54 HD3 NLE 7 HD3 NLE 7 11.856 -4.442 1.312 55 HE1 NLE 7 HE1 NLE 7 14.484 -5.028 0.042 56 HE2 NLE 7 HE2 NLE 7 13.566 -6.069 0.968 57 HE3 NLE 7 HE3 NLE 7 13.001 -5.572 -0.520 58 H TRP 8 H TRP 8 10.191 0.166 -2.408 59 HA TRP 8 HA TRP 8 12.296 0.252 -4.157 60 HB2 TRP 8 HB2 TRP 8 10.197 2.407 -3.847 61 HB3 TRP 8 HB3 TRP 8 11.144 2.072 -5.295 62 HD1 TRP 8 HD1 TRP 8 10.752 -1.169 -5.121 63 HE1 TRP 8 HE1 TRP 8 8.482 -2.139 -5.844 64 HE3 TRP 8 HE3 TRP 8 7.885 3.038 -4.649 65 HZ2 TRP 8 HZ2 TRP 8 5.824 -1.239 -6.171 66 HZ3 TRP 8 HZ3 TRP 8 5.488 2.897 -5.187 67 HH2 TRP 8 HH2 TRP 8 4.480 0.802 -5.933 68 H THR 9 H THR 9 13.540 2.180 -4.915 69 HA THR 9 HA THR 9 14.985 3.299 -2.684 70 HB THR 9 HB THR 9 16.342 2.628 -4.512 71 HG1 THR 9 HG1 THR 9 17.150 4.797 -5.234 72 HG21 THR 9 HG21 THR 9 15.373 2.531 -6.529 73 HG22 THR 9 HG22 THR 9 15.774 4.241 -6.685 74 HG23 THR 9 HG23 THR 9 14.182 3.759 -6.102 75 H CYS 10 H CYS 10 12.883 4.432 -2.025 76 HA CYS 10 HA CYS 10 11.602 6.467 -3.221 77 HB2 CYS 10 HB2 CYS 10 11.161 7.412 -1.091 78 HB3 CYS 10 HB3 CYS 10 11.375 5.688 -0.812 79 H ASP 11 H ASP 11 11.902 8.620 -3.696 80 HA ASP 11 HA ASP 11 14.594 9.725 -3.289 81 HB2 ASP 11 HB2 ASP 11 13.222 9.174 -5.834 82 HB3 ASP 11 HB3 ASP 11 13.904 10.793 -5.707 83 H SER 12 H SER 12 11.318 10.523 -4.444 84 HA SER 12 HA SER 12 10.806 12.485 -2.532 85 HB2 SER 12 HB2 SER 12 10.991 14.516 -4.086 86 HB3 SER 12 HB3 SER 12 12.498 13.884 -3.419 87 HG SER 12 HG SER 12 12.747 14.237 -5.623 88 H LYS 13 H LYS 13 10.322 11.345 -5.808 89 HA LYS 13 HA LYS 13 7.452 11.946 -5.531 90 HB2 LYS 13 HB2 LYS 13 9.152 12.110 -8.025 91 HB3 LYS 13 HB3 LYS 13 7.395 12.200 -8.021 92 HG2 LYS 13 HG2 LYS 13 7.477 14.217 -6.674 93 HG3 LYS 13 HG3 LYS 13 9.239 14.118 -6.611 94 HD2 LYS 13 HD2 LYS 13 8.909 14.045 -9.262 95 HD3 LYS 13 HD3 LYS 13 7.455 14.948 -8.829 96 HE2 LYS 13 HE2 LYS 13 9.334 16.194 -7.311 97 HE3 LYS 13 HE3 LYS 13 10.283 15.740 -8.727 98 HZ1 LYS 13 HZ1 LYS 13 9.456 17.747 -9.385 99 HZ2 LYS 13 HZ2 LYS 13 8.010 17.582 -8.526 100 HZ3 LYS 13 HZ3 LYS 13 8.232 16.737 -9.974 101 H ARG 14 H ARG 14 8.624 9.553 -4.686 102 HA ARG 14 HA ARG 14 8.381 7.549 -6.726 103 HB2 ARG 14 HB2 ARG 14 9.328 7.691 -4.019 104 HB3 ARG 14 HB3 ARG 14 8.200 6.350 -4.170 105 HG2 ARG 14 HG2 ARG 14 10.651 6.803 -5.862 106 HG3 ARG 14 HG3 ARG 14 10.479 5.619 -4.564 107 HD2 ARG 14 HD2 ARG 14 8.667 4.533 -5.824 108 HD3 ARG 14 HD3 ARG 14 8.893 5.699 -7.129 109 HE ARG 14 HE ARG 14 11.311 4.330 -6.503 110 HH11 ARG 14 HH11 ARG 14 8.278 4.017 -8.185 111 HH12 ARG 14 HH12 ARG 14 8.879 2.856 -9.322 112 HH21 ARG 14 HH21 ARG 14 12.114 2.803 -7.995 113 HH22 ARG 14 HH22 ARG 14 11.061 2.166 -9.214 114 H ALA 15 H ALA 15 7.000 5.501 -5.626 115 HA ALA 15 HA ALA 15 4.248 6.548 -5.504 116 HB1 ALA 15 HB1 ALA 15 4.330 5.336 -7.474 117 HB2 ALA 15 HB2 ALA 15 5.396 4.106 -6.795 118 HB3 ALA 15 HB3 ALA 15 3.696 4.157 -6.325 119 H CYS 16 H CYS 16 6.382 5.750 -3.390 120 HA CYS 16 HA CYS 16 5.475 3.502 -1.991 121 HB2 CYS 16 HB2 CYS 16 6.958 5.981 -1.135 122 HB3 CYS 16 HB3 CYS 16 6.535 4.717 0.018 123 H CYS 17 H CYS 17 4.876 4.181 0.559 124 HA CYS 17 HA CYS 17 2.207 5.375 0.271 125 HB2 CYS 17 HB2 CYS 17 2.211 4.193 2.739 126 HB3 CYS 17 HB3 CYS 17 1.638 3.431 1.260 127 H GLU 18 H GLU 18 4.184 4.958 3.175 128 HA GLU 18 HA GLU 18 4.303 7.872 3.496 129 HB2 GLU 18 HB2 GLU 18 2.373 6.644 4.784 130 HB3 GLU 18 HB3 GLU 18 3.666 6.169 5.875 131 HG2 GLU 18 HG2 GLU 18 3.590 8.135 6.878 132 HG3 GLU 18 HG3 GLU 18 3.876 8.963 5.348 133 H GLY 19 H GLY 19 6.288 5.864 2.744 134 HA2 GLY 19 HA2 GLY 19 8.168 6.297 4.980 135 HA3 GLY 19 HA3 GLY 19 8.093 4.756 4.139 136 H LEU 20 H LEU 20 7.524 7.265 1.997 137 HA LEU 20 HA LEU 20 9.960 6.818 0.606 138 HB2 LEU 20 HB2 LEU 20 9.101 8.899 -0.699 139 HB3 LEU 20 HB3 LEU 20 8.254 7.359 -0.823 140 HG LEU 20 HG LEU 20 6.876 9.516 -0.567 141 HD11 LEU 20 HD11 LEU 20 5.416 7.843 -0.365 142 HD12 LEU 20 HD12 LEU 20 5.565 8.078 1.375 143 HD13 LEU 20 HD13 LEU 20 6.543 6.855 0.563 144 HD21 LEU 20 HD21 LEU 20 6.619 10.462 1.540 145 HD22 LEU 20 HD22 LEU 20 8.361 10.209 1.425 146 HD23 LEU 20 HD23 LEU 20 7.367 9.088 2.358 147 H ARG 21 H ARG 21 9.313 8.635 3.303 148 HA ARG 21 HA ARG 21 10.969 10.911 2.744 149 HB2 ARG 21 HB2 ARG 21 10.691 11.428 5.128 150 HB3 ARG 21 HB3 ARG 21 9.148 11.068 4.362 151 HG2 ARG 21 HG2 ARG 21 10.227 8.652 5.410 152 HG3 ARG 21 HG3 ARG 21 10.283 9.893 6.663 153 HD2 ARG 21 HD2 ARG 21 7.846 9.192 5.031 154 HD3 ARG 21 HD3 ARG 21 8.172 8.600 6.659 155 HE ARG 21 HE ARG 21 8.217 11.461 6.465 156 HH11 ARG 21 HH11 ARG 21 6.182 8.664 6.862 157 HH12 ARG 21 HH12 ARG 21 4.919 9.534 7.669 158 HH21 ARG 21 HH21 ARG 21 6.563 12.618 7.528 159 HH22 ARG 21 HH22 ARG 21 5.137 11.785 8.047 160 H CYS 22 H CYS 22 12.530 8.925 1.996 161 HA CYS 22 HA CYS 22 14.626 8.909 4.034 162 HB2 CYS 22 HB2 CYS 22 15.058 6.562 3.828 163 HB3 CYS 22 HB3 CYS 22 13.342 6.748 4.174 164 H LYS 23 H LYS 23 16.331 7.151 2.564 165 HA LYS 23 HA LYS 23 17.090 8.971 0.396 166 HB2 LYS 23 HB2 LYS 23 18.751 6.742 1.568 167 HB3 LYS 23 HB3 LYS 23 19.304 8.092 0.586 168 HG2 LYS 23 HG2 LYS 23 18.085 9.297 2.762 169 HG3 LYS 23 HG3 LYS 23 18.935 7.911 3.447 170 HD2 LYS 23 HD2 LYS 23 20.577 9.531 3.496 171 HD3 LYS 23 HD3 LYS 23 20.907 8.743 1.951 172 HE2 LYS 23 HE2 LYS 23 20.986 11.028 1.463 173 HE3 LYS 23 HE3 LYS 23 19.384 10.525 0.929 174 HZ1 LYS 23 HZ1 LYS 23 18.610 12.164 2.186 175 HZ2 LYS 23 HZ2 LYS 23 20.107 12.424 2.927 176 HZ3 LYS 23 HZ3 LYS 23 19.049 11.258 3.544 177 H LEU 24 H LEU 24 16.721 5.499 1.059 178 HA LEU 24 HA LEU 24 16.217 5.098 -1.812 179 HB2 LEU 24 HB2 LEU 24 18.171 3.759 -0.049 180 HB3 LEU 24 HB3 LEU 24 17.257 2.712 -1.132 181 HG LEU 24 HG LEU 24 18.103 3.891 -3.060 182 HD11 LEU 24 HD11 LEU 24 20.065 5.572 -2.380 183 HD12 LEU 24 HD12 LEU 24 18.984 5.832 -1.012 184 HD13 LEU 24 HD13 LEU 24 18.405 6.096 -2.658 185 HD21 LEU 24 HD21 LEU 24 20.085 2.829 -3.064 186 HD22 LEU 24 HD22 LEU 24 19.544 2.217 -1.502 187 HD23 LEU 24 HD23 LEU 24 20.626 3.608 -1.578 188 H TRP 25 H TRP 25 16.345 2.516 0.520 189 HA TRP 25 HA TRP 25 13.761 1.588 -0.101 190 HB2 TRP 25 HB2 TRP 25 14.617 -0.219 0.896 191 HB3 TRP 25 HB3 TRP 25 15.972 0.733 1.496 192 HD1 TRP 25 HD1 TRP 25 12.436 -0.390 2.558 193 HE1 TRP 25 HE1 TRP 25 12.319 -0.349 5.129 194 HE3 TRP 25 HE3 TRP 25 17.009 1.673 3.546 195 HZ2 TRP 25 HZ2 TRP 25 13.949 0.453 7.289 196 HZ3 TRP 25 HZ3 TRP 25 17.651 2.046 5.892 197 HH2 TRP 25 HH2 TRP 25 16.152 1.448 7.724 198 H CYS 26 H CYS 26 11.921 2.577 0.387 199 HA CYS 26 HA CYS 26 11.430 4.666 2.021 200 HB2 CYS 26 HB2 CYS 26 9.669 2.312 1.357 201 HB3 CYS 26 HB3 CYS 26 9.078 3.669 2.311 202 H ARG 27 H ARG 27 11.361 5.095 4.136 203 HA ARG 27 HA ARG 27 12.027 2.980 6.002 204 HB2 ARG 27 HB2 ARG 27 11.774 5.973 6.242 205 HB3 ARG 27 HB3 ARG 27 12.002 4.946 7.651 206 HG2 ARG 27 HG2 ARG 27 14.097 4.109 6.695 207 HG3 ARG 27 HG3 ARG 27 13.869 5.167 5.301 208 HD2 ARG 27 HD2 ARG 27 14.455 5.897 8.150 209 HD3 ARG 27 HD3 ARG 27 15.330 6.354 6.688 210 HE ARG 27 HE ARG 27 12.944 7.516 6.301 211 HH11 ARG 27 HH11 ARG 27 15.105 7.488 9.031 212 HH12 ARG 27 HH12 ARG 27 14.632 9.061 9.586 213 HH21 ARG 27 HH21 ARG 27 12.316 9.588 7.019 214 HH22 ARG 27 HH22 ARG 27 13.046 10.252 8.442 215 H LYS 28 H LYS 28 9.393 2.951 4.748 216 HA LYS 28 HA LYS 28 7.409 3.852 6.554 217 HB2 LYS 28 HB2 LYS 28 7.485 2.561 4.042 218 HB3 LYS 28 HB3 LYS 28 6.541 1.527 5.105 219 HG2 LYS 28 HG2 LYS 28 5.862 4.367 5.285 220 HG3 LYS 28 HG3 LYS 28 5.565 3.641 3.704 221 HD2 LYS 28 HD2 LYS 28 3.590 3.091 4.668 222 HD3 LYS 28 HD3 LYS 28 4.533 1.723 5.267 223 HE2 LYS 28 HE2 LYS 28 4.791 2.685 7.386 224 HE3 LYS 28 HE3 LYS 28 4.339 4.288 6.811 225 HZ1 LYS 28 HZ1 LYS 28 2.637 2.951 8.147 226 HZ2 LYS 28 HZ2 LYS 28 2.411 2.056 6.731 227 HZ3 LYS 28 HZ3 LYS 28 2.108 3.719 6.736 228 H ILE 29 H ILE 29 5.927 1.280 6.602 229 HA ILE 29 HA ILE 29 6.473 0.472 9.197 230 HB ILE 29 HB ILE 29 4.978 -1.324 8.881 231 HG12 ILE 29 HG12 ILE 29 6.141 -2.338 6.945 232 HG13 ILE 29 HG13 ILE 29 4.398 -2.270 6.715 233 HG21 ILE 29 HG21 ILE 29 4.106 0.698 6.829 234 HG22 ILE 29 HG22 ILE 29 3.089 -0.304 7.862 235 HG23 ILE 29 HG23 ILE 29 4.057 0.989 8.568 236 HD11 ILE 29 HD11 ILE 29 6.443 -0.425 5.504 237 HD12 ILE 29 HD12 ILE 29 5.513 -1.673 4.674 238 HD13 ILE 29 HD13 ILE 29 4.697 -0.254 5.330 239 H ILE 30 H ILE 30 8.116 -0.319 6.298 240 HA ILE 30 HA ILE 30 10.016 -1.522 5.916 241 HB ILE 30 HB ILE 30 10.071 -2.237 8.842 242 HG12 ILE 30 HG12 ILE 30 9.867 0.146 8.801 243 HG13 ILE 30 HG13 ILE 30 11.570 -0.216 9.062 244 HG21 ILE 30 HG21 ILE 30 11.677 -3.498 7.721 245 HG22 ILE 30 HG22 ILE 30 12.084 -2.181 6.624 246 HG23 ILE 30 HG23 ILE 30 12.582 -2.107 8.314 247 HD11 ILE 30 HD11 ILE 30 12.102 0.320 6.807 248 HD12 ILE 30 HD12 ILE 30 10.396 0.450 6.380 249 HD13 ILE 30 HD13 ILE 30 11.126 1.634 7.464 Start of MODEL 6 1 H1 ARG 1 H GLY 1 -2.944 -5.151 -1.543 2 HA ARG 1 HA2 GLY 1 -2.855 -5.924 0.622 3 H TYR 2 H TYR 2 -0.293 -4.123 1.814 4 HA TYR 2 HA TYR 2 -2.167 -2.195 3.010 5 HB2 TYR 2 HB2 TYR 2 0.261 -3.597 4.034 6 HB3 TYR 2 HB3 TYR 2 -0.092 -1.989 4.655 7 HD1 TYR 2 HD1 TYR 2 -0.992 -5.488 4.732 8 HD2 TYR 2 HD2 TYR 2 -2.260 -1.579 5.834 9 HE1 TYR 2 HE1 TYR 2 -2.604 -6.462 6.314 10 HE2 TYR 2 HE2 TYR 2 -3.874 -2.543 7.419 11 HH TYR 2 HH TYR 2 -4.219 -4.606 8.669 12 H CYS 3 H CYS 3 0.897 -2.550 1.346 13 HA CYS 3 HA CYS 3 0.894 0.337 0.835 14 HB2 CYS 3 HB2 CYS 3 3.026 -1.249 2.162 15 HB3 CYS 3 HB3 CYS 3 3.547 -0.057 0.977 16 H GLN 4 H GLN 4 3.081 0.584 -0.725 17 HA GLN 4 HA GLN 4 2.672 -1.374 -2.886 18 HB2 GLN 4 HB2 GLN 4 3.436 1.396 -3.614 19 HB3 GLN 4 HB3 GLN 4 2.405 0.253 -4.464 20 HG2 GLN 4 HG2 GLN 4 1.587 1.704 -1.960 21 HG3 GLN 4 HG3 GLN 4 1.244 2.280 -3.590 22 HE21 GLN 4 HE21 GLN 4 -0.649 1.601 -1.550 23 HE22 GLN 4 HE22 GLN 4 -1.614 0.308 -2.165 24 H LYS 5 H LYS 5 4.524 -2.521 -2.204 25 HA LYS 5 HA LYS 5 6.778 -2.886 -1.830 26 HB2 LYS 5 HB2 LYS 5 6.427 -1.797 -4.598 27 HB3 LYS 5 HB3 LYS 5 8.041 -2.197 -4.024 28 HG2 LYS 5 HG2 LYS 5 6.934 -4.475 -3.387 29 HG3 LYS 5 HG3 LYS 5 5.726 -3.988 -4.581 30 HD2 LYS 5 HD2 LYS 5 7.293 -3.964 -6.320 31 HD3 LYS 5 HD3 LYS 5 8.662 -3.918 -5.207 32 HE2 LYS 5 HE2 LYS 5 7.186 -6.256 -4.629 33 HE3 LYS 5 HE3 LYS 5 7.373 -6.180 -6.380 34 HZ1 LYS 5 HZ1 LYS 5 9.448 -6.363 -4.301 35 HZ2 LYS 5 HZ2 LYS 5 9.821 -5.659 -5.792 36 HZ3 LYS 5 HZ3 LYS 5 9.277 -7.261 -5.725 37 H TRP 6 H TRP 6 6.209 -0.696 -0.369 38 HA TRP 6 HA TRP 6 7.287 1.734 -0.784 39 HB2 TRP 6 HB2 TRP 6 7.465 2.001 1.527 40 HB3 TRP 6 HB3 TRP 6 6.284 0.703 1.374 41 HD1 TRP 6 HD1 TRP 6 9.171 1.538 3.364 42 HE1 TRP 6 HE1 TRP 6 10.270 -0.549 4.391 43 HE3 TRP 6 HE3 TRP 6 6.941 -2.052 0.485 44 HZ2 TRP 6 HZ2 TRP 6 10.199 -3.349 4.030 45 HZ3 TRP 6 HZ3 TRP 6 7.511 -4.411 0.891 46 HH2 TRP 6 HH2 TRP 6 9.108 -5.043 2.626 47 H NLE 7 H NLE 7 8.975 -1.226 -0.341 48 HA NLE 7 HA NLE 7 11.572 -0.463 0.503 49 HB2 NLE 7 HB2 NLE 7 10.707 -2.787 0.221 50 HB3 NLE 7 HB3 NLE 7 10.915 -2.676 -1.524 51 HG2 NLE 7 HG2 NLE 7 13.230 -2.985 -1.396 52 HG3 NLE 7 HG3 NLE 7 13.415 -1.987 0.040 53 HD2 NLE 7 HD2 NLE 7 13.490 -3.840 1.384 54 HD3 NLE 7 HD3 NLE 7 11.913 -4.390 0.809 55 HE1 NLE 7 HE1 NLE 7 14.514 -4.844 -0.563 56 HE2 NLE 7 HE2 NLE 7 13.628 -5.966 0.297 57 HE3 NLE 7 HE3 NLE 7 13.023 -5.356 -1.133 58 H TRP 8 H TRP 8 10.144 0.498 -2.502 59 HA TRP 8 HA TRP 8 12.234 0.716 -4.272 60 HB2 TRP 8 HB2 TRP 8 10.095 2.802 -3.798 61 HB3 TRP 8 HB3 TRP 8 11.045 2.601 -5.267 62 HD1 TRP 8 HD1 TRP 8 10.711 -0.675 -5.270 63 HE1 TRP 8 HE1 TRP 8 8.466 -1.632 -6.089 64 HE3 TRP 8 HE3 TRP 8 7.788 3.471 -4.641 65 HZ2 TRP 8 HZ2 TRP 8 5.806 -0.743 -6.422 66 HZ3 TRP 8 HZ3 TRP 8 5.405 3.335 -5.234 67 HH2 TRP 8 HH2 TRP 8 4.437 1.270 -6.106 68 H THR 9 H THR 9 13.329 2.826 -4.929 69 HA THR 9 HA THR 9 14.806 3.790 -2.626 70 HB THR 9 HB THR 9 16.133 5.042 -4.410 71 HG1 THR 9 HG1 THR 9 14.807 3.280 -6.199 72 HG21 THR 9 HG21 THR 9 17.528 3.289 -4.400 73 HG22 THR 9 HG22 THR 9 16.373 2.266 -5.258 74 HG23 THR 9 HG23 THR 9 16.272 2.435 -3.506 75 H CYS 10 H CYS 10 12.771 4.883 -1.838 76 HA CYS 10 HA CYS 10 11.393 6.927 -2.912 77 HB2 CYS 10 HB2 CYS 10 11.125 7.864 -0.703 78 HB3 CYS 10 HB3 CYS 10 11.171 6.109 -0.567 79 H ASP 11 H ASP 11 11.735 8.928 -3.661 80 HA ASP 11 HA ASP 11 13.655 10.746 -2.811 81 HB2 ASP 11 HB2 ASP 11 14.742 8.705 -4.519 82 HB3 ASP 11 HB3 ASP 11 14.818 10.259 -5.341 83 H SER 12 H SER 12 12.846 9.781 -6.142 84 HA SER 12 HA SER 12 11.624 12.426 -6.518 85 HB2 SER 12 HB2 SER 12 11.814 11.731 -9.005 86 HB3 SER 12 HB3 SER 12 13.296 12.151 -8.144 87 HG SER 12 HG SER 12 12.456 9.719 -9.148 88 H LYS 13 H LYS 13 11.115 9.034 -7.491 89 HA LYS 13 HA LYS 13 8.583 9.248 -8.549 90 HB2 LYS 13 HB2 LYS 13 10.283 7.139 -7.625 91 HB3 LYS 13 HB3 LYS 13 8.644 6.829 -7.068 92 HG2 LYS 13 HG2 LYS 13 8.867 5.747 -9.153 93 HG3 LYS 13 HG3 LYS 13 7.887 7.188 -9.441 94 HD2 LYS 13 HD2 LYS 13 10.307 8.218 -9.917 95 HD3 LYS 13 HD3 LYS 13 10.633 6.538 -10.343 96 HE2 LYS 13 HE2 LYS 13 8.441 8.275 -11.473 97 HE3 LYS 13 HE3 LYS 13 9.930 7.811 -12.298 98 HZ1 LYS 13 HZ1 LYS 13 8.999 5.421 -11.673 99 HZ2 LYS 13 HZ2 LYS 13 8.582 6.211 -13.109 100 HZ3 LYS 13 HZ3 LYS 13 7.528 6.247 -11.786 101 H ARG 14 H ARG 14 9.419 8.542 -5.159 102 HA ARG 14 HA ARG 14 8.200 8.662 -3.236 103 HB2 ARG 14 HB2 ARG 14 8.041 11.127 -4.553 104 HB3 ARG 14 HB3 ARG 14 6.400 10.788 -4.019 105 HG2 ARG 14 HG2 ARG 14 7.101 10.604 -1.746 106 HG3 ARG 14 HG3 ARG 14 8.801 10.683 -2.213 107 HD2 ARG 14 HD2 ARG 14 7.236 12.942 -3.181 108 HD3 ARG 14 HD3 ARG 14 7.240 12.805 -1.424 109 HE ARG 14 HE ARG 14 9.860 12.540 -2.505 110 HH11 ARG 14 HH11 ARG 14 7.402 14.866 -1.684 111 HH12 ARG 14 HH12 ARG 14 8.526 16.160 -1.436 112 HH21 ARG 14 HH21 ARG 14 11.350 14.236 -2.183 113 HH22 ARG 14 HH22 ARG 14 10.770 15.802 -1.720 114 H ALA 15 H ALA 15 7.214 6.840 -5.187 115 HA ALA 15 HA ALA 15 4.320 7.085 -5.160 116 HB1 ALA 15 HB1 ALA 15 5.383 6.251 -7.176 117 HB2 ALA 15 HB2 ALA 15 6.101 4.920 -6.269 118 HB3 ALA 15 HB3 ALA 15 4.351 5.006 -6.469 119 H CYS 16 H CYS 16 6.301 6.412 -2.798 120 HA CYS 16 HA CYS 16 5.410 3.854 -1.879 121 HB2 CYS 16 HB2 CYS 16 6.928 6.114 -0.587 122 HB3 CYS 16 HB3 CYS 16 6.459 4.676 0.314 123 H CYS 17 H CYS 17 4.795 4.210 0.765 124 HA CYS 17 HA CYS 17 2.139 5.446 0.583 125 HB2 CYS 17 HB2 CYS 17 2.085 4.027 2.905 126 HB3 CYS 17 HB3 CYS 17 1.589 3.389 1.341 127 H GLU 18 H GLU 18 4.081 4.737 3.452 128 HA GLU 18 HA GLU 18 4.180 7.603 4.071 129 HB2 GLU 18 HB2 GLU 18 2.350 5.972 5.263 130 HB3 GLU 18 HB3 GLU 18 3.698 5.842 6.383 131 HG2 GLU 18 HG2 GLU 18 3.282 7.842 7.235 132 HG3 GLU 18 HG3 GLU 18 3.252 8.585 5.638 133 H GLY 19 H GLY 19 6.197 5.740 3.099 134 HA2 GLY 19 HA2 GLY 19 8.082 5.973 5.357 135 HA3 GLY 19 HA3 GLY 19 8.015 4.506 4.391 136 H LEU 20 H LEU 20 7.412 7.207 2.493 137 HA LEU 20 HA LEU 20 9.840 6.892 1.042 138 HB2 LEU 20 HB2 LEU 20 8.951 9.067 -0.073 139 HB3 LEU 20 HB3 LEU 20 8.118 7.536 -0.323 140 HG LEU 20 HG LEU 20 6.720 9.648 0.126 141 HD11 LEU 20 HD11 LEU 20 5.294 7.930 0.181 142 HD12 LEU 20 HD12 LEU 20 5.421 8.057 1.936 143 HD13 LEU 20 HD13 LEU 20 6.426 6.900 1.063 144 HD21 LEU 20 HD21 LEU 20 8.220 10.179 2.160 145 HD22 LEU 20 HD22 LEU 20 7.231 8.984 3.000 146 HD23 LEU 20 HD23 LEU 20 6.478 10.418 2.301 147 H ARG 21 H ARG 21 9.220 8.442 3.897 148 HA ARG 21 HA ARG 21 10.813 10.795 3.536 149 HB2 ARG 21 HB2 ARG 21 10.610 11.043 5.971 150 HB3 ARG 21 HB3 ARG 21 9.051 10.737 5.220 151 HG2 ARG 21 HG2 ARG 21 8.754 8.826 6.337 152 HG3 ARG 21 HG3 ARG 21 10.428 8.319 6.107 153 HD2 ARG 21 HD2 ARG 21 10.954 10.167 7.852 154 HD3 ARG 21 HD3 ARG 21 9.242 10.034 8.254 155 HE ARG 21 HE ARG 21 10.397 7.470 8.224 156 HH11 ARG 21 HH11 ARG 21 10.409 10.409 10.088 157 HH12 ARG 21 HH12 ARG 21 10.775 9.614 11.582 158 HH21 ARG 21 HH21 ARG 21 10.881 6.412 10.186 159 HH22 ARG 21 HH22 ARG 21 11.045 7.341 11.638 160 H CYS 22 H CYS 22 12.400 8.964 2.525 161 HA CYS 22 HA CYS 22 14.575 8.801 4.466 162 HB2 CYS 22 HB2 CYS 22 15.043 6.492 4.061 163 HB3 CYS 22 HB3 CYS 22 13.336 6.608 4.479 164 H LYS 23 H LYS 23 16.261 7.226 2.798 165 HA LYS 23 HA LYS 23 16.871 9.226 0.746 166 HB2 LYS 23 HB2 LYS 23 18.624 6.970 1.730 167 HB3 LYS 23 HB3 LYS 23 19.115 8.346 0.750 168 HG2 LYS 23 HG2 LYS 23 18.032 8.610 3.543 169 HG3 LYS 23 HG3 LYS 23 19.750 8.459 3.172 170 HD2 LYS 23 HD2 LYS 23 19.869 10.637 2.738 171 HD3 LYS 23 HD3 LYS 23 18.627 10.473 1.493 172 HE2 LYS 23 HE2 LYS 23 18.027 12.119 3.231 173 HE3 LYS 23 HE3 LYS 23 16.884 10.778 3.136 174 HZ1 LYS 23 HZ1 LYS 23 17.397 10.091 5.189 175 HZ2 LYS 23 HZ2 LYS 23 18.003 11.655 5.408 176 HZ3 LYS 23 HZ3 LYS 23 19.053 10.390 5.008 177 H LEU 24 H LEU 24 16.480 5.731 1.168 178 HA LEU 24 HA LEU 24 15.882 5.527 -1.696 179 HB2 LEU 24 HB2 LEU 24 17.979 4.099 -0.168 180 HB3 LEU 24 HB3 LEU 24 17.054 3.152 -1.332 181 HG LEU 24 HG LEU 24 17.721 4.786 -3.092 182 HD11 LEU 24 HD11 LEU 24 18.475 6.758 -2.377 183 HD12 LEU 24 HD12 LEU 24 20.003 5.935 -2.068 184 HD13 LEU 24 HD13 LEU 24 18.830 6.135 -0.767 185 HD21 LEU 24 HD21 LEU 24 18.905 2.694 -2.875 186 HD22 LEU 24 HD22 LEU 24 19.930 3.367 -1.608 187 HD23 LEU 24 HD23 LEU 24 20.049 3.981 -3.258 188 H TRP 25 H TRP 25 16.268 2.770 0.395 189 HA TRP 25 HA TRP 25 13.712 1.752 -0.138 190 HB2 TRP 25 HB2 TRP 25 14.780 -0.040 0.677 191 HB3 TRP 25 HB3 TRP 25 16.023 0.976 1.404 192 HD1 TRP 25 HD1 TRP 25 12.490 -0.372 2.250 193 HE1 TRP 25 HE1 TRP 25 12.336 -0.644 4.805 194 HE3 TRP 25 HE3 TRP 25 17.042 1.562 3.547 195 HZ2 TRP 25 HZ2 TRP 25 13.932 -0.109 7.071 196 HZ3 TRP 25 HZ3 TRP 25 17.650 1.647 5.929 197 HH2 TRP 25 HH2 TRP 25 16.126 0.828 7.653 198 H CYS 26 H CYS 26 11.889 2.759 0.419 199 HA CYS 26 HA CYS 26 11.379 4.672 2.233 200 HB2 CYS 26 HB2 CYS 26 9.650 2.340 1.425 201 HB3 CYS 26 HB3 CYS 26 9.053 3.620 2.477 202 H ARG 27 H ARG 27 11.348 4.926 4.378 203 HA ARG 27 HA ARG 27 12.077 2.677 6.053 204 HB2 ARG 27 HB2 ARG 27 11.891 5.642 6.453 205 HB3 ARG 27 HB3 ARG 27 11.975 4.574 7.846 206 HG2 ARG 27 HG2 ARG 27 14.116 3.817 7.280 207 HG3 ARG 27 HG3 ARG 27 13.991 4.434 5.632 208 HD2 ARG 27 HD2 ARG 27 15.266 6.094 6.507 209 HD3 ARG 27 HD3 ARG 27 13.684 6.730 6.955 210 HE ARG 27 HE ARG 27 14.172 6.316 9.161 211 HH11 ARG 27 HH11 ARG 27 16.514 4.731 7.130 212 HH12 ARG 27 HH12 ARG 27 17.565 4.315 8.442 213 HH21 ARG 27 HH21 ARG 27 15.548 5.773 10.899 214 HH22 ARG 27 HH22 ARG 27 17.014 4.906 10.587 215 H LYS 28 H LYS 28 9.421 2.709 4.860 216 HA LYS 28 HA LYS 28 7.466 3.451 6.767 217 HB2 LYS 28 HB2 LYS 28 7.474 2.448 4.158 218 HB3 LYS 28 HB3 LYS 28 6.664 1.208 5.108 219 HG2 LYS 28 HG2 LYS 28 5.797 3.968 5.637 220 HG3 LYS 28 HG3 LYS 28 5.429 3.345 4.027 221 HD2 LYS 28 HD2 LYS 28 4.358 1.382 5.056 222 HD3 LYS 28 HD3 LYS 28 4.689 2.052 6.653 223 HE2 LYS 28 HE2 LYS 28 3.249 3.910 6.255 224 HE3 LYS 28 HE3 LYS 28 3.082 3.490 4.550 225 HZ1 LYS 28 HZ1 LYS 28 1.193 2.547 5.283 226 HZ2 LYS 28 HZ2 LYS 28 1.744 2.376 6.873 227 HZ3 LYS 28 HZ3 LYS 28 2.208 1.257 5.693 228 H ILE 29 H ILE 29 6.074 0.782 6.545 229 HA ILE 29 HA ILE 29 6.600 -0.194 9.090 230 HB ILE 29 HB ILE 29 5.220 -2.049 8.589 231 HG12 ILE 29 HG12 ILE 29 6.417 -2.831 6.588 232 HG13 ILE 29 HG13 ILE 29 4.682 -2.763 6.307 233 HG21 ILE 29 HG21 ILE 29 3.802 -0.471 6.651 234 HG22 ILE 29 HG22 ILE 29 3.420 -0.771 8.345 235 HG23 ILE 29 HG23 ILE 29 4.483 0.564 7.906 236 HD11 ILE 29 HD11 ILE 29 6.847 -1.041 5.204 237 HD12 ILE 29 HD12 ILE 29 5.526 -1.862 4.372 238 HD13 ILE 29 HD13 ILE 29 5.203 -0.417 5.328 239 H ILE 30 H ILE 30 8.369 -0.638 6.203 240 HA ILE 30 HA ILE 30 10.310 -1.739 5.752 241 HB ILE 30 HB ILE 30 10.364 -2.588 8.644 242 HG12 ILE 30 HG12 ILE 30 10.139 -0.243 8.773 243 HG13 ILE 30 HG13 ILE 30 11.874 -0.528 8.872 244 HG21 ILE 30 HG21 ILE 30 12.438 -2.347 6.486 245 HG22 ILE 30 HG22 ILE 30 12.858 -2.440 8.196 246 HG23 ILE 30 HG23 ILE 30 11.993 -3.770 7.426 247 HD11 ILE 30 HD11 ILE 30 10.341 0.361 6.440 248 HD12 ILE 30 HD12 ILE 30 11.422 1.344 7.429 249 HD13 ILE 30 HD13 ILE 30 12.068 0.006 6.479 Start of MODEL 7 1 H1 ARG 1 H GLY 1 1.918 -3.313 7.675 2 HA ARG 1 HA2 GLY 1 0.137 -4.656 7.128 3 H TYR 2 H TYR 2 -0.920 -1.949 5.134 4 HA TYR 2 HA TYR 2 -0.354 -3.580 2.745 5 HB2 TYR 2 HB2 TYR 2 -2.414 -2.430 1.765 6 HB3 TYR 2 HB3 TYR 2 -2.703 -3.668 2.982 7 HD1 TYR 2 HD1 TYR 2 -2.983 -0.137 2.164 8 HD2 TYR 2 HD2 TYR 2 -3.407 -3.025 5.258 9 HE1 TYR 2 HE1 TYR 2 -4.295 1.473 3.479 10 HE2 TYR 2 HE2 TYR 2 -4.721 -1.423 6.583 11 HH TYR 2 HH TYR 2 -5.773 0.560 6.560 12 H CYS 3 H CYS 3 0.982 -2.644 1.362 13 HA CYS 3 HA CYS 3 0.878 0.234 0.934 14 HB2 CYS 3 HB2 CYS 3 3.147 -1.201 2.213 15 HB3 CYS 3 HB3 CYS 3 3.548 0.028 1.015 16 H GLN 4 H GLN 4 3.014 0.600 -0.678 17 HA GLN 4 HA GLN 4 2.626 -1.375 -2.830 18 HB2 GLN 4 HB2 GLN 4 3.353 1.408 -3.550 19 HB3 GLN 4 HB3 GLN 4 2.323 0.259 -4.394 20 HG2 GLN 4 HG2 GLN 4 1.528 1.701 -1.878 21 HG3 GLN 4 HG3 GLN 4 1.141 2.257 -3.506 22 HE21 GLN 4 HE21 GLN 4 0.268 0.251 -4.868 23 HE22 GLN 4 HE22 GLN 4 -1.061 -0.556 -4.115 24 H LYS 5 H LYS 5 4.495 -2.516 -2.216 25 HA LYS 5 HA LYS 5 6.759 -2.866 -1.871 26 HB2 LYS 5 HB2 LYS 5 6.371 -1.727 -4.618 27 HB3 LYS 5 HB3 LYS 5 7.988 -2.148 -4.068 28 HG2 LYS 5 HG2 LYS 5 7.548 -4.183 -4.851 29 HG3 LYS 5 HG3 LYS 5 6.534 -4.382 -3.421 30 HD2 LYS 5 HD2 LYS 5 4.591 -3.617 -4.669 31 HD3 LYS 5 HD3 LYS 5 5.596 -3.332 -6.092 32 HE2 LYS 5 HE2 LYS 5 5.814 -5.565 -6.553 33 HE3 LYS 5 HE3 LYS 5 5.620 -6.044 -4.867 34 HZ1 LYS 5 HZ1 LYS 5 3.731 -6.442 -6.613 35 HZ2 LYS 5 HZ2 LYS 5 3.328 -4.843 -6.243 36 HZ3 LYS 5 HZ3 LYS 5 3.361 -6.010 -5.021 37 H TRP 6 H TRP 6 6.184 -0.693 -0.378 38 HA TRP 6 HA TRP 6 7.244 1.748 -0.778 39 HB2 TRP 6 HB2 TRP 6 7.438 1.991 1.537 40 HB3 TRP 6 HB3 TRP 6 6.266 0.686 1.380 41 HD1 TRP 6 HD1 TRP 6 9.160 1.525 3.353 42 HE1 TRP 6 HE1 TRP 6 10.285 -0.565 4.353 43 HE3 TRP 6 HE3 TRP 6 6.937 -2.055 0.457 44 HZ2 TRP 6 HZ2 TRP 6 10.237 -3.361 3.962 45 HZ3 TRP 6 HZ3 TRP 6 7.531 -4.411 0.832 46 HH2 TRP 6 HH2 TRP 6 9.146 -5.049 2.548 47 H NLE 7 H NLE 7 8.953 -1.207 -0.381 48 HA NLE 7 HA NLE 7 11.551 -0.446 0.453 49 HB2 NLE 7 HB2 NLE 7 10.687 -2.768 0.128 50 HB3 NLE 7 HB3 NLE 7 10.901 -2.622 -1.614 51 HG2 NLE 7 HG2 NLE 7 13.212 -2.935 -1.484 52 HG3 NLE 7 HG3 NLE 7 13.397 -1.946 -0.042 53 HD2 NLE 7 HD2 NLE 7 13.482 -3.809 1.289 54 HD3 NLE 7 HD3 NLE 7 11.903 -4.360 0.713 55 HE1 NLE 7 HE1 NLE 7 14.504 -4.797 -0.670 56 HE2 NLE 7 HE2 NLE 7 13.622 -5.926 0.183 57 HE3 NLE 7 HE3 NLE 7 13.012 -5.309 -1.241 58 H TRP 8 H TRP 8 10.094 0.562 -2.523 59 HA TRP 8 HA TRP 8 12.165 0.824 -4.307 60 HB2 TRP 8 HB2 TRP 8 10.042 2.913 -3.770 61 HB3 TRP 8 HB3 TRP 8 10.964 2.716 -5.259 62 HD1 TRP 8 HD1 TRP 8 10.608 -0.547 -5.319 63 HE1 TRP 8 HE1 TRP 8 8.337 -1.480 -6.090 64 HE3 TRP 8 HE3 TRP 8 7.718 3.595 -4.519 65 HZ2 TRP 8 HZ2 TRP 8 5.671 -0.578 -6.327 66 HZ3 TRP 8 HZ3 TRP 8 5.317 3.475 -5.044 67 HH2 TRP 8 HH2 TRP 8 4.317 1.432 -5.931 68 H THR 9 H THR 9 13.264 2.938 -4.931 69 HA THR 9 HA THR 9 14.740 3.871 -2.611 70 HB THR 9 HB THR 9 16.108 5.100 -4.365 71 HG1 THR 9 HG1 THR 9 14.711 5.171 -6.092 72 HG21 THR 9 HG21 THR 9 17.464 3.314 -4.424 73 HG22 THR 9 HG22 THR 9 16.259 2.317 -5.240 74 HG23 THR 9 HG23 THR 9 16.209 2.502 -3.487 75 H CYS 10 H CYS 10 12.744 4.994 -1.814 76 HA CYS 10 HA CYS 10 11.379 7.046 -2.901 77 HB2 CYS 10 HB2 CYS 10 11.174 8.025 -0.674 78 HB3 CYS 10 HB3 CYS 10 11.080 6.270 -0.580 79 H ASP 11 H ASP 11 11.814 8.944 -3.807 80 HA ASP 11 HA ASP 11 13.651 10.831 -2.918 81 HB2 ASP 11 HB2 ASP 11 14.873 8.710 -4.423 82 HB3 ASP 11 HB3 ASP 11 15.006 10.220 -5.321 83 H SER 12 H SER 12 13.129 9.686 -6.245 84 HA SER 12 HA SER 12 12.116 12.315 -6.967 85 HB2 SER 12 HB2 SER 12 12.039 11.113 -9.301 86 HB3 SER 12 HB3 SER 12 13.590 11.590 -8.609 87 HG SER 12 HG SER 12 13.419 9.370 -9.437 88 H LYS 13 H LYS 13 11.046 9.099 -8.033 89 HA LYS 13 HA LYS 13 8.448 9.750 -8.636 90 HB2 LYS 13 HB2 LYS 13 9.699 7.184 -7.698 91 HB3 LYS 13 HB3 LYS 13 7.975 7.273 -8.036 92 HG2 LYS 13 HG2 LYS 13 9.992 8.152 -10.066 93 HG3 LYS 13 HG3 LYS 13 9.546 6.453 -9.888 94 HD2 LYS 13 HD2 LYS 13 7.288 6.891 -10.446 95 HD3 LYS 13 HD3 LYS 13 7.508 8.635 -10.270 96 HE2 LYS 13 HE2 LYS 13 7.547 8.385 -12.563 97 HE3 LYS 13 HE3 LYS 13 9.265 8.325 -12.169 98 HZ1 LYS 13 HZ1 LYS 13 9.251 6.435 -13.327 99 HZ2 LYS 13 HZ2 LYS 13 7.567 6.287 -13.278 100 HZ3 LYS 13 HZ3 LYS 13 8.503 5.736 -11.981 101 H ARG 14 H ARG 14 9.443 8.137 -5.611 102 HA ARG 14 HA ARG 14 8.573 8.176 -3.511 103 HB2 ARG 14 HB2 ARG 14 7.358 10.816 -4.340 104 HB3 ARG 14 HB3 ARG 14 7.617 10.251 -2.695 105 HG2 ARG 14 HG2 ARG 14 10.123 10.115 -3.898 106 HG3 ARG 14 HG3 ARG 14 9.418 11.626 -4.474 107 HD2 ARG 14 HD2 ARG 14 8.758 11.793 -1.884 108 HD3 ARG 14 HD3 ARG 14 10.219 10.815 -1.745 109 HE ARG 14 HE ARG 14 10.570 13.123 -3.406 110 HH11 ARG 14 HH11 ARG 14 10.542 11.969 -0.122 111 HH12 ARG 14 HH12 ARG 14 11.578 13.227 0.467 112 HH21 ARG 14 HH21 ARG 14 11.933 14.785 -2.643 113 HH22 ARG 14 HH22 ARG 14 12.367 14.830 -0.968 114 H ALA 15 H ALA 15 7.193 6.605 -5.207 115 HA ALA 15 HA ALA 15 4.359 7.244 -5.002 116 HB1 ALA 15 HB1 ALA 15 5.833 4.967 -6.313 117 HB2 ALA 15 HB2 ALA 15 4.074 5.107 -6.275 118 HB3 ALA 15 HB3 ALA 15 5.039 6.331 -7.099 119 H CYS 16 H CYS 16 6.313 6.374 -2.743 120 HA CYS 16 HA CYS 16 5.320 3.882 -1.794 121 HB2 CYS 16 HB2 CYS 16 6.861 6.116 -0.475 122 HB3 CYS 16 HB3 CYS 16 6.394 4.654 0.386 123 H CYS 17 H CYS 17 4.700 4.260 0.839 124 HA CYS 17 HA CYS 17 2.081 5.571 0.640 125 HB2 CYS 17 HB2 CYS 17 1.961 4.151 2.958 126 HB3 CYS 17 HB3 CYS 17 1.470 3.526 1.387 127 H GLU 18 H GLU 18 4.000 4.801 3.512 128 HA GLU 18 HA GLU 18 4.149 7.664 4.149 129 HB2 GLU 18 HB2 GLU 18 2.222 6.351 5.306 130 HB3 GLU 18 HB3 GLU 18 3.505 5.662 6.290 131 HG2 GLU 18 HG2 GLU 18 4.177 8.141 6.678 132 HG3 GLU 18 HG3 GLU 18 2.525 8.474 6.161 133 H GLY 19 H GLY 19 6.122 5.742 3.155 134 HA2 GLY 19 HA2 GLY 19 8.035 5.949 5.393 135 HA3 GLY 19 HA3 GLY 19 7.939 4.492 4.417 136 H LEU 20 H LEU 20 7.363 7.241 2.567 137 HA LEU 20 HA LEU 20 9.780 6.899 1.092 138 HB2 LEU 20 HB2 LEU 20 8.901 9.081 -0.019 139 HB3 LEU 20 HB3 LEU 20 8.056 7.553 -0.265 140 HG LEU 20 HG LEU 20 6.672 9.674 0.190 141 HD11 LEU 20 HD11 LEU 20 5.371 8.099 2.009 142 HD12 LEU 20 HD12 LEU 20 6.366 6.932 1.137 143 HD13 LEU 20 HD13 LEU 20 5.239 7.964 0.257 144 HD21 LEU 20 HD21 LEU 20 7.202 9.015 3.061 145 HD22 LEU 20 HD22 LEU 20 6.445 10.450 2.368 146 HD23 LEU 20 HD23 LEU 20 8.186 10.207 2.211 147 H ARG 21 H ARG 21 9.185 8.436 3.956 148 HA ARG 21 HA ARG 21 10.784 10.786 3.597 149 HB2 ARG 21 HB2 ARG 21 10.595 11.022 6.035 150 HB3 ARG 21 HB3 ARG 21 9.030 10.729 5.289 151 HG2 ARG 21 HG2 ARG 21 8.730 8.813 6.395 152 HG3 ARG 21 HG3 ARG 21 10.401 8.301 6.159 153 HD2 ARG 21 HD2 ARG 21 10.845 10.245 7.905 154 HD3 ARG 21 HD3 ARG 21 9.183 9.880 8.361 155 HE ARG 21 HE ARG 21 11.505 8.257 8.832 156 HH11 ARG 21 HH11 ARG 21 8.045 8.254 8.442 157 HH12 ARG 21 HH12 ARG 21 7.814 6.787 9.333 158 HH21 ARG 21 HH21 ARG 21 11.213 6.325 10.008 159 HH22 ARG 21 HH22 ARG 21 9.617 5.690 10.226 160 H CYS 22 H CYS 22 12.366 8.967 2.569 161 HA CYS 22 HA CYS 22 14.544 8.779 4.504 162 HB2 CYS 22 HB2 CYS 22 15.005 6.475 4.076 163 HB3 CYS 22 HB3 CYS 22 13.295 6.587 4.485 164 H LYS 23 H LYS 23 16.231 7.229 2.823 165 HA LYS 23 HA LYS 23 16.836 9.246 0.786 166 HB2 LYS 23 HB2 LYS 23 18.603 6.986 1.727 167 HB3 LYS 23 HB3 LYS 23 19.081 8.398 0.793 168 HG2 LYS 23 HG2 LYS 23 18.001 8.544 3.595 169 HG3 LYS 23 HG3 LYS 23 19.720 8.458 3.206 170 HD2 LYS 23 HD2 LYS 23 19.740 10.665 2.943 171 HD3 LYS 23 HD3 LYS 23 18.614 10.492 1.593 172 HE2 LYS 23 HE2 LYS 23 17.437 11.906 2.967 173 HE3 LYS 23 HE3 LYS 23 16.826 10.340 3.499 174 HZ1 LYS 23 HZ1 LYS 23 17.383 11.077 5.519 175 HZ2 LYS 23 HZ2 LYS 23 18.421 12.275 4.925 176 HZ3 LYS 23 HZ3 LYS 23 18.971 10.684 5.083 177 H LEU 24 H LEU 24 16.482 5.741 1.177 178 HA LEU 24 HA LEU 24 15.883 5.562 -1.690 179 HB2 LEU 24 HB2 LEU 24 17.973 4.129 -0.164 180 HB3 LEU 24 HB3 LEU 24 17.052 3.182 -1.329 181 HG LEU 24 HG LEU 24 17.725 4.786 -3.096 182 HD11 LEU 24 HD11 LEU 24 18.400 6.793 -2.388 183 HD12 LEU 24 HD12 LEU 24 19.958 6.020 -2.096 184 HD13 LEU 24 HD13 LEU 24 18.801 6.191 -0.777 185 HD21 LEU 24 HD21 LEU 24 19.945 3.445 -1.558 186 HD22 LEU 24 HD22 LEU 24 20.079 4.038 -3.212 187 HD23 LEU 24 HD23 LEU 24 18.959 2.730 -2.833 188 H TRP 25 H TRP 25 16.252 2.798 0.398 189 HA TRP 25 HA TRP 25 13.694 1.788 -0.160 190 HB2 TRP 25 HB2 TRP 25 14.751 -0.017 0.634 191 HB3 TRP 25 HB3 TRP 25 16.005 0.982 1.364 192 HD1 TRP 25 HD1 TRP 25 12.477 -0.373 2.218 193 HE1 TRP 25 HE1 TRP 25 12.333 -0.656 4.774 194 HE3 TRP 25 HE3 TRP 25 17.023 1.577 3.510 195 HZ2 TRP 25 HZ2 TRP 25 13.935 -0.126 7.035 196 HZ3 TRP 25 HZ3 TRP 25 17.641 1.652 5.891 197 HH2 TRP 25 HH2 TRP 25 16.127 0.819 7.615 198 H CYS 26 H CYS 26 11.869 2.777 0.414 199 HA CYS 26 HA CYS 26 11.371 4.677 2.255 200 HB2 CYS 26 HB2 CYS 26 9.624 2.363 1.423 201 HB3 CYS 26 HB3 CYS 26 9.037 3.648 2.474 202 H ARG 27 H ARG 27 11.311 4.899 4.406 203 HA ARG 27 HA ARG 27 12.049 2.629 6.049 204 HB2 ARG 27 HB2 ARG 27 11.795 5.583 6.529 205 HB3 ARG 27 HB3 ARG 27 11.955 4.465 7.876 206 HG2 ARG 27 HG2 ARG 27 13.918 4.289 5.651 207 HG3 ARG 27 HG3 ARG 27 14.049 5.626 6.797 208 HD2 ARG 27 HD2 ARG 27 13.951 3.881 8.629 209 HD3 ARG 27 HD3 ARG 27 14.167 2.674 7.363 210 HE ARG 27 HE ARG 27 16.380 3.203 7.322 211 HH11 ARG 27 HH11 ARG 27 14.629 5.872 8.714 212 HH12 ARG 27 HH12 ARG 27 16.056 6.775 9.103 213 HH21 ARG 27 HH21 ARG 27 18.265 4.384 7.828 214 HH22 ARG 27 HH22 ARG 27 18.124 5.929 8.596 215 H LYS 28 H LYS 28 9.392 2.686 4.829 216 HA LYS 28 HA LYS 28 7.419 3.369 6.731 217 HB2 LYS 28 HB2 LYS 28 7.489 2.301 4.115 218 HB3 LYS 28 HB3 LYS 28 6.573 1.164 5.095 219 HG2 LYS 28 HG2 LYS 28 5.864 3.980 5.501 220 HG3 LYS 28 HG3 LYS 28 5.532 3.352 3.886 221 HD2 LYS 28 HD2 LYS 28 3.588 2.735 4.887 222 HD3 LYS 28 HD3 LYS 28 4.556 1.325 5.323 223 HE2 LYS 28 HE2 LYS 28 4.836 2.036 7.510 224 HE3 LYS 28 HE3 LYS 28 4.505 3.720 7.113 225 HZ1 LYS 28 HZ1 LYS 28 2.710 2.492 8.352 226 HZ2 LYS 28 HZ2 LYS 28 2.433 1.613 6.934 227 HZ3 LYS 28 HZ3 LYS 28 2.214 3.289 6.944 228 H ILE 29 H ILE 29 5.990 0.768 6.565 229 HA ILE 29 HA ILE 29 6.567 -0.254 9.071 230 HB ILE 29 HB ILE 29 5.139 -2.072 8.590 231 HG12 ILE 29 HG12 ILE 29 6.318 -2.849 6.556 232 HG13 ILE 29 HG13 ILE 29 4.572 -2.812 6.339 233 HG21 ILE 29 HG21 ILE 29 4.115 0.201 8.535 234 HG22 ILE 29 HG22 ILE 29 4.206 0.143 6.776 235 HG23 ILE 29 HG23 ILE 29 3.209 -1.023 7.646 236 HD11 ILE 29 HD11 ILE 29 4.821 -0.635 5.181 237 HD12 ILE 29 HD12 ILE 29 6.570 -0.825 5.295 238 HD13 ILE 29 HD13 ILE 29 5.616 -1.979 4.363 239 H ILE 30 H ILE 30 8.243 -0.728 6.125 240 HA ILE 30 HA ILE 30 10.179 -1.832 5.643 241 HB ILE 30 HB ILE 30 10.235 -2.772 8.507 242 HG12 ILE 30 HG12 ILE 30 10.042 -0.414 8.676 243 HG13 ILE 30 HG13 ILE 30 11.763 -0.758 8.824 244 HG21 ILE 30 HG21 ILE 30 12.030 -2.963 6.226 245 HG22 ILE 30 HG22 ILE 30 12.804 -2.286 7.658 246 HG23 ILE 30 HG23 ILE 30 12.023 -3.864 7.740 247 HD11 ILE 30 HD11 ILE 30 10.358 0.209 6.346 248 HD12 ILE 30 HD12 ILE 30 11.376 1.171 7.416 249 HD13 ILE 30 HD13 ILE 30 12.080 -0.148 6.481 Start of MODEL 8 1 H1 ARG 1 H GLY 1 -0.982 -8.734 2.049 2 HA ARG 1 HA2 GLY 1 0.006 -6.881 1.120 3 H TYR 2 H TYR 2 0.201 -4.575 1.324 4 HA TYR 2 HA TYR 2 -1.650 -3.302 3.198 5 HB2 TYR 2 HB2 TYR 2 1.336 -3.529 3.608 6 HB3 TYR 2 HB3 TYR 2 0.307 -2.416 4.501 7 HD1 TYR 2 HD1 TYR 2 1.091 -5.973 3.926 8 HD2 TYR 2 HD2 TYR 2 -1.085 -3.182 6.290 9 HE1 TYR 2 HE1 TYR 2 0.605 -7.744 5.561 10 HE2 TYR 2 HE2 TYR 2 -1.573 -4.947 7.932 11 HH TYR 2 HH TYR 2 -1.530 -7.967 7.454 12 H CYS 3 H CYS 3 1.559 -2.473 1.895 13 HA CYS 3 HA CYS 3 0.349 -0.062 0.710 14 HB2 CYS 3 HB2 CYS 3 2.594 -0.382 2.425 15 HB3 CYS 3 HB3 CYS 3 3.196 0.144 0.856 16 H GLN 4 H GLN 4 2.597 0.645 -0.851 17 HA GLN 4 HA GLN 4 2.458 -1.434 -2.929 18 HB2 GLN 4 HB2 GLN 4 3.281 1.334 -3.623 19 HB3 GLN 4 HB3 GLN 4 2.331 0.179 -4.546 20 HG2 GLN 4 HG2 GLN 4 1.323 1.681 -2.143 21 HG3 GLN 4 HG3 GLN 4 1.060 2.169 -3.817 22 HE21 GLN 4 HE21 GLN 4 -0.893 1.486 -1.789 23 HE22 GLN 4 HE22 GLN 4 -1.807 0.162 -2.416 24 H LYS 5 H LYS 5 4.256 -2.571 -2.051 25 HA LYS 5 HA LYS 5 6.483 -2.916 -1.510 26 HB2 LYS 5 HB2 LYS 5 6.317 -2.009 -4.365 27 HB3 LYS 5 HB3 LYS 5 7.874 -2.431 -3.666 28 HG2 LYS 5 HG2 LYS 5 7.466 -4.607 -3.842 29 HG3 LYS 5 HG3 LYS 5 5.861 -4.443 -3.123 30 HD2 LYS 5 HD2 LYS 5 4.849 -4.477 -5.121 31 HD3 LYS 5 HD3 LYS 5 6.020 -3.359 -5.824 32 HE2 LYS 5 HE2 LYS 5 7.393 -5.038 -6.555 33 HE3 LYS 5 HE3 LYS 5 6.894 -6.148 -5.278 34 HZ1 LYS 5 HZ1 LYS 5 6.044 -6.909 -7.368 35 HZ2 LYS 5 HZ2 LYS 5 5.333 -5.409 -7.693 36 HZ3 LYS 5 HZ3 LYS 5 4.743 -6.369 -6.431 37 H TRP 6 H TRP 6 5.888 -0.648 -0.220 38 HA TRP 6 HA TRP 6 6.991 1.751 -0.750 39 HB2 TRP 6 HB2 TRP 6 7.090 2.163 1.547 40 HB3 TRP 6 HB3 TRP 6 5.905 0.864 1.430 41 HD1 TRP 6 HD1 TRP 6 8.729 1.804 3.464 42 HE1 TRP 6 HE1 TRP 6 9.769 -0.222 4.660 43 HE3 TRP 6 HE3 TRP 6 6.559 -1.943 0.747 44 HZ2 TRP 6 HZ2 TRP 6 9.679 -3.039 4.479 45 HZ3 TRP 6 HZ3 TRP 6 7.089 -4.277 1.323 46 HH2 TRP 6 HH2 TRP 6 8.617 -4.810 3.150 47 H NLE 7 H NLE 7 8.652 -1.175 -0.030 48 HA NLE 7 HA NLE 7 11.222 -0.336 0.837 49 HB2 NLE 7 HB2 NLE 7 10.367 -2.674 0.745 50 HB3 NLE 7 HB3 NLE 7 10.617 -2.722 -0.998 51 HG2 NLE 7 HG2 NLE 7 12.926 -3.028 -0.784 52 HG3 NLE 7 HG3 NLE 7 13.083 -1.890 0.548 53 HD2 NLE 7 HD2 NLE 7 13.083 -3.590 2.092 54 HD3 NLE 7 HD3 NLE 7 11.553 -4.235 1.483 55 HE1 NLE 7 HE1 NLE 7 14.241 -4.746 0.311 56 HE2 NLE 7 HE2 NLE 7 13.329 -5.805 1.224 57 HE3 NLE 7 HE3 NLE 7 12.797 -5.352 -0.291 58 H TRP 8 H TRP 8 9.892 0.392 -2.264 59 HA TRP 8 HA TRP 8 11.983 0.425 -4.026 60 HB2 TRP 8 HB2 TRP 8 9.961 2.649 -3.671 61 HB3 TRP 8 HB3 TRP 8 10.895 2.316 -5.127 62 HD1 TRP 8 HD1 TRP 8 10.395 -0.928 -4.973 63 HE1 TRP 8 HE1 TRP 8 8.098 -1.810 -5.728 64 HE3 TRP 8 HE3 TRP 8 7.684 3.382 -4.519 65 HZ2 TRP 8 HZ2 TRP 8 5.483 -0.810 -6.084 66 HZ3 TRP 8 HZ3 TRP 8 5.290 3.335 -5.088 67 HH2 TRP 8 HH2 TRP 8 4.214 1.281 -5.854 68 H THR 9 H THR 9 13.304 2.298 -4.775 69 HA THR 9 HA THR 9 14.770 3.377 -2.530 70 HB THR 9 HB THR 9 16.144 4.434 -4.482 71 HG1 THR 9 HG1 THR 9 15.774 3.580 -6.461 72 HG21 THR 9 HG21 THR 9 16.513 2.264 -3.003 73 HG22 THR 9 HG22 THR 9 17.562 2.641 -4.370 74 HG23 THR 9 HG23 THR 9 16.262 1.462 -4.555 75 H CYS 10 H CYS 10 12.740 4.653 -1.946 76 HA CYS 10 HA CYS 10 11.604 6.716 -3.255 77 HB2 CYS 10 HB2 CYS 10 11.150 7.749 -1.165 78 HB3 CYS 10 HB3 CYS 10 11.226 6.018 -0.848 79 H ASP 11 H ASP 11 12.065 8.793 -3.845 80 HA ASP 11 HA ASP 11 14.453 10.143 -3.033 81 HB2 ASP 11 HB2 ASP 11 15.094 10.289 -5.632 82 HB3 ASP 11 HB3 ASP 11 15.759 9.058 -4.562 83 H SER 12 H SER 12 12.847 10.278 -6.185 84 HA SER 12 HA SER 12 11.949 12.996 -5.514 85 HB2 SER 12 HB2 SER 12 13.122 11.800 -7.894 86 HB3 SER 12 HB3 SER 12 11.627 12.660 -8.260 87 HG SER 12 HG SER 12 12.679 14.375 -6.855 88 H LYS 13 H LYS 13 10.822 10.639 -7.921 89 HA LYS 13 HA LYS 13 8.173 11.352 -7.940 90 HB2 LYS 13 HB2 LYS 13 9.280 8.557 -8.266 91 HB3 LYS 13 HB3 LYS 13 7.700 9.102 -8.811 92 HG2 LYS 13 HG2 LYS 13 8.706 10.599 -10.401 93 HG3 LYS 13 HG3 LYS 13 10.319 10.216 -9.791 94 HD2 LYS 13 HD2 LYS 13 10.270 8.801 -11.577 95 HD3 LYS 13 HD3 LYS 13 9.529 7.745 -10.373 96 HE2 LYS 13 HE2 LYS 13 7.952 7.515 -11.978 97 HE3 LYS 13 HE3 LYS 13 7.339 9.009 -11.267 98 HZ1 LYS 13 HZ1 LYS 13 8.301 8.559 -13.883 99 HZ2 LYS 13 HZ2 LYS 13 9.254 9.739 -13.134 100 HZ3 LYS 13 HZ3 LYS 13 7.578 9.947 -13.243 101 H ARG 14 H ARG 14 9.638 8.774 -5.960 102 HA ARG 14 HA ARG 14 8.876 7.658 -4.122 103 HB2 ARG 14 HB2 ARG 14 7.753 10.393 -3.485 104 HB3 ARG 14 HB3 ARG 14 8.004 9.093 -2.328 105 HG2 ARG 14 HG2 ARG 14 10.187 9.530 -2.124 106 HG3 ARG 14 HG3 ARG 14 10.393 9.805 -3.856 107 HD2 ARG 14 HD2 ARG 14 10.591 11.970 -3.365 108 HD3 ARG 14 HD3 ARG 14 8.862 11.951 -3.019 109 HE ARG 14 HE ARG 14 11.021 12.061 -1.105 110 HH11 ARG 14 HH11 ARG 14 7.651 11.377 -1.643 111 HH12 ARG 14 HH12 ARG 14 7.202 11.623 0.011 112 HH21 ARG 14 HH21 ARG 14 10.443 12.387 1.078 113 HH22 ARG 14 HH22 ARG 14 8.789 12.199 1.559 114 H ALA 15 H ALA 15 7.417 6.346 -5.364 115 HA ALA 15 HA ALA 15 4.625 7.143 -5.468 116 HB1 ALA 15 HB1 ALA 15 6.110 4.727 -6.473 117 HB2 ALA 15 HB2 ALA 15 4.354 4.880 -6.560 118 HB3 ALA 15 HB3 ALA 15 5.382 6.031 -7.412 119 H CYS 16 H CYS 16 6.341 6.282 -2.984 120 HA CYS 16 HA CYS 16 4.925 4.000 -1.973 121 HB2 CYS 16 HB2 CYS 16 6.714 5.974 -0.541 122 HB3 CYS 16 HB3 CYS 16 6.152 4.439 0.115 123 H CYS 17 H CYS 17 4.056 4.318 0.421 124 HA CYS 17 HA CYS 17 2.116 6.533 0.312 125 HB2 CYS 17 HB2 CYS 17 1.202 4.502 2.077 126 HB3 CYS 17 HB3 CYS 17 0.500 5.008 0.543 127 H GLU 18 H GLU 18 4.480 4.851 2.209 128 HA GLU 18 HA GLU 18 4.544 6.999 4.122 129 HB2 GLU 18 HB2 GLU 18 2.781 5.714 5.139 130 HB3 GLU 18 HB3 GLU 18 3.702 4.226 4.970 131 HG2 GLU 18 HG2 GLU 18 4.587 4.533 6.967 132 HG3 GLU 18 HG3 GLU 18 5.281 6.065 6.439 133 H GLY 19 H GLY 19 6.611 7.370 4.565 134 HA2 GLY 19 HA2 GLY 19 8.709 6.591 5.487 135 HA3 GLY 19 HA3 GLY 19 8.467 5.079 4.624 136 H LEU 20 H LEU 20 7.514 7.387 2.526 137 HA LEU 20 HA LEU 20 9.747 7.069 0.830 138 HB2 LEU 20 HB2 LEU 20 8.598 9.108 -0.344 139 HB3 LEU 20 HB3 LEU 20 7.856 7.509 -0.365 140 HG LEU 20 HG LEU 20 6.358 9.542 0.083 141 HD11 LEU 20 HD11 LEU 20 6.365 6.876 1.128 142 HD12 LEU 20 HD12 LEU 20 5.003 7.871 0.615 143 HD13 LEU 20 HD13 LEU 20 5.591 7.971 2.275 144 HD21 LEU 20 HD21 LEU 20 7.272 9.232 2.914 145 HD22 LEU 20 HD22 LEU 20 6.345 10.538 2.173 146 HD23 LEU 20 HD23 LEU 20 8.069 10.379 1.837 147 H ARG 21 H ARG 21 9.350 8.993 3.534 148 HA ARG 21 HA ARG 21 10.939 11.233 2.645 149 HB2 ARG 21 HB2 ARG 21 10.746 12.030 4.936 150 HB3 ARG 21 HB3 ARG 21 9.172 11.524 4.335 151 HG2 ARG 21 HG2 ARG 21 8.946 9.991 5.929 152 HG3 ARG 21 HG3 ARG 21 10.582 9.376 5.682 153 HD2 ARG 21 HD2 ARG 21 11.169 11.695 6.876 154 HD3 ARG 21 HD3 ARG 21 9.576 11.414 7.579 155 HE ARG 21 HE ARG 21 11.210 9.091 7.743 156 HH11 ARG 21 HH11 ARG 21 10.654 12.207 9.193 157 HH12 ARG 21 HH12 ARG 21 11.268 11.740 10.744 158 HH21 ARG 21 HH21 ARG 21 12.022 8.465 9.780 159 HH22 ARG 21 HH22 ARG 21 12.048 9.610 11.075 160 H CYS 22 H CYS 22 12.332 8.929 2.150 161 HA CYS 22 HA CYS 22 14.515 9.098 4.118 162 HB2 CYS 22 HB2 CYS 22 14.961 6.741 3.873 163 HB3 CYS 22 HB3 CYS 22 13.265 6.943 4.296 164 H LYS 23 H LYS 23 16.187 7.293 2.617 165 HA LYS 23 HA LYS 23 16.969 9.124 0.464 166 HB2 LYS 23 HB2 LYS 23 18.500 8.255 2.446 167 HB3 LYS 23 HB3 LYS 23 18.716 6.881 1.368 168 HG2 LYS 23 HG2 LYS 23 20.285 8.013 0.298 169 HG3 LYS 23 HG3 LYS 23 19.062 9.183 -0.205 170 HD2 LYS 23 HD2 LYS 23 20.617 9.289 2.378 171 HD3 LYS 23 HD3 LYS 23 20.969 10.247 0.937 172 HE2 LYS 23 HE2 LYS 23 19.468 11.766 1.545 173 HE3 LYS 23 HE3 LYS 23 18.206 10.536 1.607 174 HZ1 LYS 23 HZ1 LYS 23 19.242 11.929 3.731 175 HZ2 LYS 23 HZ2 LYS 23 19.922 10.386 3.874 176 HZ3 LYS 23 HZ3 LYS 23 18.243 10.566 3.811 177 H LEU 24 H LEU 24 16.278 5.732 1.133 178 HA LEU 24 HA LEU 24 15.836 5.316 -1.729 179 HB2 LEU 24 HB2 LEU 24 17.843 3.954 -0.037 180 HB3 LEU 24 HB3 LEU 24 16.907 2.930 -1.123 181 HG LEU 24 HG LEU 24 17.643 4.471 -2.995 182 HD11 LEU 24 HD11 LEU 24 18.854 5.808 -0.745 183 HD12 LEU 24 HD12 LEU 24 18.679 6.347 -2.415 184 HD13 LEU 24 HD13 LEU 24 20.063 5.360 -1.949 185 HD21 LEU 24 HD21 LEU 24 19.589 3.236 -3.374 186 HD22 LEU 24 HD22 LEU 24 18.613 2.191 -2.342 187 HD23 LEU 24 HD23 LEU 24 19.955 3.106 -1.655 188 H TRP 25 H TRP 25 16.051 2.704 0.562 189 HA TRP 25 HA TRP 25 13.472 1.749 0.021 190 HB2 TRP 25 HB2 TRP 25 14.379 -0.032 1.020 191 HB3 TRP 25 HB3 TRP 25 15.718 0.952 1.604 192 HD1 TRP 25 HD1 TRP 25 12.219 -0.246 2.697 193 HE1 TRP 25 HE1 TRP 25 12.114 -0.178 5.268 194 HE3 TRP 25 HE3 TRP 25 16.738 1.950 3.639 195 HZ2 TRP 25 HZ2 TRP 25 13.732 0.690 7.410 196 HZ3 TRP 25 HZ3 TRP 25 17.384 2.365 5.976 197 HH2 TRP 25 HH2 TRP 25 15.911 1.748 7.823 198 H CYS 26 H CYS 26 11.630 2.737 0.514 199 HA CYS 26 HA CYS 26 11.182 4.824 2.198 200 HB2 CYS 26 HB2 CYS 26 9.357 2.554 1.426 201 HB3 CYS 26 HB3 CYS 26 8.795 3.920 2.380 202 H ARG 27 H ARG 27 11.083 5.170 4.328 203 HA ARG 27 HA ARG 27 11.658 2.978 6.122 204 HB2 ARG 27 HB2 ARG 27 11.267 5.931 6.649 205 HB3 ARG 27 HB3 ARG 27 11.782 4.753 7.849 206 HG2 ARG 27 HG2 ARG 27 13.855 4.436 6.824 207 HG3 ARG 27 HG3 ARG 27 13.317 5.167 5.310 208 HD2 ARG 27 HD2 ARG 27 13.113 7.337 6.489 209 HD3 ARG 27 HD3 ARG 27 13.773 6.579 7.936 210 HE ARG 27 HE ARG 27 15.641 6.066 6.039 211 HH11 ARG 27 HH11 ARG 27 14.074 8.964 7.160 212 HH12 ARG 27 HH12 ARG 27 15.426 9.988 6.811 213 HH21 ARG 27 HH21 ARG 27 17.430 7.403 5.575 214 HH22 ARG 27 HH22 ARG 27 17.336 9.098 5.909 215 H LYS 28 H LYS 28 9.717 1.772 5.971 216 HA LYS 28 HA LYS 28 7.486 2.959 7.485 217 HB2 LYS 28 HB2 LYS 28 7.250 2.455 4.879 218 HB3 LYS 28 HB3 LYS 28 6.918 0.833 5.477 219 HG2 LYS 28 HG2 LYS 28 5.313 2.309 7.082 220 HG3 LYS 28 HG3 LYS 28 5.283 3.265 5.598 221 HD2 LYS 28 HD2 LYS 28 4.537 0.366 5.941 222 HD3 LYS 28 HD3 LYS 28 3.480 1.705 5.487 223 HE2 LYS 28 HE2 LYS 28 5.754 0.567 3.862 224 HE3 LYS 28 HE3 LYS 28 4.032 0.383 3.533 225 HZ1 LYS 28 HZ1 LYS 28 4.586 2.100 2.146 226 HZ2 LYS 28 HZ2 LYS 28 5.744 2.746 3.197 227 HZ3 LYS 28 HZ3 LYS 28 4.097 2.969 3.514 228 H ILE 29 H ILE 29 6.252 0.158 6.919 229 HA ILE 29 HA ILE 29 6.677 -0.960 9.420 230 HB ILE 29 HB ILE 29 5.546 -2.900 8.670 231 HG12 ILE 29 HG12 ILE 29 7.021 -3.329 6.709 232 HG13 ILE 29 HG13 ILE 29 5.311 -3.540 6.344 233 HG21 ILE 29 HG21 ILE 29 3.712 -1.663 8.509 234 HG22 ILE 29 HG22 ILE 29 4.642 -0.289 7.914 235 HG23 ILE 29 HG23 ILE 29 4.020 -1.489 6.781 236 HD11 ILE 29 HD11 ILE 29 5.293 -1.287 5.338 237 HD12 ILE 29 HD12 ILE 29 7.031 -1.184 5.619 238 HD13 ILE 29 HD13 ILE 29 6.385 -2.408 4.528 239 H ILE 30 H ILE 30 8.646 -1.100 6.599 240 HA ILE 30 HA ILE 30 10.726 -1.959 6.243 241 HB ILE 30 HB ILE 30 10.690 -2.906 9.106 242 HG12 ILE 30 HG12 ILE 30 10.274 -0.612 9.332 243 HG13 ILE 30 HG13 ILE 30 12.027 -0.716 9.434 244 HG21 ILE 30 HG21 ILE 30 12.495 -3.410 7.118 245 HG22 ILE 30 HG22 ILE 30 13.191 -1.993 7.906 246 HG23 ILE 30 HG23 ILE 30 12.846 -3.444 8.844 247 HD11 ILE 30 HD11 ILE 30 10.368 0.180 7.097 248 HD12 ILE 30 HD12 ILE 30 11.512 1.126 8.050 249 HD13 ILE 30 HD13 ILE 30 12.096 -0.158 6.991 Start of MODEL 9 1 H1 ARG 1 H GLY 1 0.622 -8.630 1.748 2 HA ARG 1 HA2 GLY 1 1.426 -6.987 0.126 3 H TYR 2 H TYR 2 0.523 -5.585 2.655 4 HA TYR 2 HA TYR 2 -1.114 -3.402 1.923 5 HB2 TYR 2 HB2 TYR 2 0.787 -3.921 4.188 6 HB3 TYR 2 HB3 TYR 2 0.055 -2.334 3.988 7 HD1 TYR 2 HD1 TYR 2 -1.055 -5.911 3.931 8 HD2 TYR 2 HD2 TYR 2 -1.826 -1.941 5.250 9 HE1 TYR 2 HE1 TYR 2 -3.066 -6.699 5.104 10 HE2 TYR 2 HE2 TYR 2 -3.840 -2.718 6.430 11 HH TYR 2 HH TYR 2 -5.341 -5.512 5.856 12 H CYS 3 H CYS 3 -0.358 -1.103 1.962 13 HA CYS 3 HA CYS 3 0.767 0.571 0.905 14 HB2 CYS 3 HB2 CYS 3 2.883 -1.083 2.190 15 HB3 CYS 3 HB3 CYS 3 3.402 0.146 1.039 16 H GLN 4 H GLN 4 2.954 0.775 -0.662 17 HA GLN 4 HA GLN 4 2.493 -1.166 -2.827 18 HB2 GLN 4 HB2 GLN 4 3.299 1.605 -3.530 19 HB3 GLN 4 HB3 GLN 4 2.275 0.475 -4.408 20 HG2 GLN 4 HG2 GLN 4 1.422 1.892 -1.898 21 HG3 GLN 4 HG3 GLN 4 1.117 2.501 -3.523 22 HE21 GLN 4 HE21 GLN 4 -1.007 2.113 -1.969 23 HE22 GLN 4 HE22 GLN 4 -1.895 0.715 -2.454 24 H LYS 5 H LYS 5 4.324 -2.352 -2.167 25 HA LYS 5 HA LYS 5 6.574 -2.761 -1.800 26 HB2 LYS 5 HB2 LYS 5 6.223 -1.669 -4.564 27 HB3 LYS 5 HB3 LYS 5 7.836 -2.085 -4.002 28 HG2 LYS 5 HG2 LYS 5 7.249 -4.357 -3.709 29 HG3 LYS 5 HG3 LYS 5 5.531 -4.009 -3.911 30 HD2 LYS 5 HD2 LYS 5 5.941 -3.367 -6.242 31 HD3 LYS 5 HD3 LYS 5 7.657 -3.724 -6.034 32 HE2 LYS 5 HE2 LYS 5 6.726 -5.622 -7.083 33 HE3 LYS 5 HE3 LYS 5 6.949 -6.069 -5.391 34 HZ1 LYS 5 HZ1 LYS 5 4.766 -6.710 -6.410 35 HZ2 LYS 5 HZ2 LYS 5 4.374 -5.065 -6.460 36 HZ3 LYS 5 HZ3 LYS 5 4.656 -5.821 -4.974 37 H TRP 6 H TRP 6 6.060 -0.568 -0.328 38 HA TRP 6 HA TRP 6 7.180 1.843 -0.744 39 HB2 TRP 6 HB2 TRP 6 7.386 2.099 1.569 40 HB3 TRP 6 HB3 TRP 6 6.180 0.823 1.420 41 HD1 TRP 6 HD1 TRP 6 9.099 1.595 3.385 42 HE1 TRP 6 HE1 TRP 6 10.169 -0.518 4.393 43 HE3 TRP 6 HE3 TRP 6 6.780 -1.939 0.509 44 HZ2 TRP 6 HZ2 TRP 6 10.047 -3.313 4.017 45 HZ3 TRP 6 HZ3 TRP 6 7.311 -4.310 0.897 46 HH2 TRP 6 HH2 TRP 6 8.913 -4.980 2.614 47 H NLE 7 H NLE 7 8.819 -1.148 -0.333 48 HA NLE 7 HA NLE 7 11.436 -0.438 0.489 49 HB2 NLE 7 HB2 NLE 7 10.522 -2.743 0.191 50 HB3 NLE 7 HB3 NLE 7 10.727 -2.620 -1.554 51 HG2 NLE 7 HG2 NLE 7 13.035 -2.976 -1.437 52 HG3 NLE 7 HG3 NLE 7 13.246 -1.988 0.005 53 HD2 NLE 7 HD2 NLE 7 13.295 -3.851 1.338 54 HD3 NLE 7 HD3 NLE 7 11.702 -4.367 0.770 55 HE1 NLE 7 HE1 NLE 7 14.284 -4.866 -0.623 56 HE2 NLE 7 HE2 NLE 7 13.381 -5.974 0.238 57 HE3 NLE 7 HE3 NLE 7 12.779 -5.344 -1.185 58 H TRP 8 H TRP 8 9.997 0.573 -2.493 59 HA TRP 8 HA TRP 8 12.082 0.772 -4.277 60 HB2 TRP 8 HB2 TRP 8 9.972 2.885 -3.784 61 HB3 TRP 8 HB3 TRP 8 10.907 2.668 -5.262 62 HD1 TRP 8 HD1 TRP 8 10.528 -0.599 -5.274 63 HE1 TRP 8 HE1 TRP 8 8.262 -1.522 -6.068 64 HE3 TRP 8 HE3 TRP 8 7.666 3.581 -4.592 65 HZ2 TRP 8 HZ2 TRP 8 5.610 -0.602 -6.365 66 HZ3 TRP 8 HZ3 TRP 8 5.273 3.477 -5.158 67 HH2 TRP 8 HH2 TRP 8 4.270 1.428 -6.026 68 H THR 9 H THR 9 13.180 2.891 -4.931 69 HA THR 9 HA THR 9 14.686 3.819 -2.633 70 HB THR 9 HB THR 9 16.045 3.288 -4.499 71 HG1 THR 9 HG1 THR 9 16.964 5.370 -4.985 72 HG21 THR 9 HG21 THR 9 15.048 3.277 -6.507 73 HG22 THR 9 HG22 THR 9 15.447 4.994 -6.583 74 HG23 THR 9 HG23 THR 9 13.859 4.482 -6.012 75 H CYS 10 H CYS 10 12.726 4.943 -1.777 76 HA CYS 10 HA CYS 10 11.324 6.994 -2.818 77 HB2 CYS 10 HB2 CYS 10 11.204 7.979 -0.582 78 HB3 CYS 10 HB3 CYS 10 11.089 6.225 -0.493 79 H ASP 11 H ASP 11 11.719 8.904 -3.721 80 HA ASP 11 HA ASP 11 13.593 10.781 -2.893 81 HB2 ASP 11 HB2 ASP 11 14.745 8.673 -4.471 82 HB3 ASP 11 HB3 ASP 11 14.839 10.191 -5.360 83 H SER 12 H SER 12 12.911 9.660 -6.201 84 HA SER 12 HA SER 12 11.722 12.279 -6.767 85 HB2 SER 12 HB2 SER 12 12.009 10.519 -9.063 86 HB3 SER 12 HB3 SER 12 12.673 12.131 -8.798 87 HG SER 12 HG SER 12 14.000 9.895 -8.832 88 H LYS 13 H LYS 13 11.118 8.847 -7.521 89 HA LYS 13 HA LYS 13 8.583 9.074 -8.582 90 HB2 LYS 13 HB2 LYS 13 9.754 6.872 -6.878 91 HB3 LYS 13 HB3 LYS 13 8.227 6.731 -7.739 92 HG2 LYS 13 HG2 LYS 13 9.228 6.592 -9.783 93 HG3 LYS 13 HG3 LYS 13 10.638 7.526 -9.281 94 HD2 LYS 13 HD2 LYS 13 11.695 5.705 -8.382 95 HD3 LYS 13 HD3 LYS 13 10.181 4.877 -8.008 96 HE2 LYS 13 HE2 LYS 13 10.940 5.324 -10.859 97 HE3 LYS 13 HE3 LYS 13 11.727 4.034 -9.951 98 HZ1 LYS 13 HZ1 LYS 13 9.612 3.040 -9.507 99 HZ2 LYS 13 HZ2 LYS 13 9.731 3.303 -11.174 100 HZ3 LYS 13 HZ3 LYS 13 8.786 4.332 -10.221 101 H ARG 14 H ARG 14 9.424 8.505 -5.164 102 HA ARG 14 HA ARG 14 8.218 8.746 -3.244 103 HB2 ARG 14 HB2 ARG 14 8.134 11.157 -4.670 104 HB3 ARG 14 HB3 ARG 14 6.490 10.901 -4.104 105 HG2 ARG 14 HG2 ARG 14 7.201 10.807 -1.835 106 HG3 ARG 14 HG3 ARG 14 8.900 10.768 -2.311 107 HD2 ARG 14 HD2 ARG 14 8.043 13.049 -3.527 108 HD3 ARG 14 HD3 ARG 14 7.053 13.036 -2.067 109 HE ARG 14 HE ARG 14 9.662 12.508 -1.284 110 HH11 ARG 14 HH11 ARG 14 7.882 15.099 -2.782 111 HH12 ARG 14 HH12 ARG 14 8.908 16.343 -2.150 112 HH21 ARG 14 HH21 ARG 14 11.019 14.136 -0.445 113 HH22 ARG 14 HH22 ARG 14 10.694 15.795 -0.821 114 H ALA 15 H ALA 15 7.148 6.904 -5.162 115 HA ALA 15 HA ALA 15 4.263 7.248 -5.071 116 HB1 ALA 15 HB1 ALA 15 4.209 5.135 -6.352 117 HB2 ALA 15 HB2 ALA 15 5.206 6.376 -7.113 118 HB3 ALA 15 HB3 ALA 15 5.968 5.049 -6.234 119 H CYS 16 H CYS 16 6.266 6.537 -2.751 120 HA CYS 16 HA CYS 16 5.341 4.005 -1.798 121 HB2 CYS 16 HB2 CYS 16 6.921 6.245 -0.550 122 HB3 CYS 16 HB3 CYS 16 6.436 4.826 0.373 123 H CYS 17 H CYS 17 4.764 4.369 0.842 124 HA CYS 17 HA CYS 17 2.137 5.675 0.698 125 HB2 CYS 17 HB2 CYS 17 2.066 4.240 3.009 126 HB3 CYS 17 HB3 CYS 17 1.545 3.623 1.445 127 H GLU 18 H GLU 18 4.074 4.888 3.550 128 HA GLU 18 HA GLU 18 4.262 7.747 4.186 129 HB2 GLU 18 HB2 GLU 18 2.416 6.127 5.392 130 HB3 GLU 18 HB3 GLU 18 3.773 6.008 6.503 131 HG2 GLU 18 HG2 GLU 18 3.770 8.626 6.259 132 HG3 GLU 18 HG3 GLU 18 2.089 8.351 5.808 133 H GLY 19 H GLY 19 6.241 5.916 3.163 134 HA2 GLY 19 HA2 GLY 19 8.150 6.063 5.403 135 HA3 GLY 19 HA3 GLY 19 8.035 4.601 4.436 136 H LEU 20 H LEU 20 7.474 7.324 2.554 137 HA LEU 20 HA LEU 20 9.876 6.952 1.074 138 HB2 LEU 20 HB2 LEU 20 9.022 9.150 -0.031 139 HB3 LEU 20 HB3 LEU 20 8.157 7.635 -0.274 140 HG LEU 20 HG LEU 20 6.804 9.771 0.191 141 HD11 LEU 20 HD11 LEU 20 5.342 8.088 0.267 142 HD12 LEU 20 HD12 LEU 20 5.500 8.202 2.019 143 HD13 LEU 20 HD13 LEU 20 6.466 7.032 1.125 144 HD21 LEU 20 HD21 LEU 20 7.329 9.099 3.061 145 HD22 LEU 20 HD22 LEU 20 6.604 10.551 2.366 146 HD23 LEU 20 HD23 LEU 20 8.340 10.271 2.210 147 H ARG 21 H ARG 21 9.316 8.520 3.933 148 HA ARG 21 HA ARG 21 10.967 10.833 3.552 149 HB2 ARG 21 HB2 ARG 21 10.780 11.102 5.986 150 HB3 ARG 21 HB3 ARG 21 9.209 10.825 5.245 151 HG2 ARG 21 HG2 ARG 21 8.874 8.932 6.381 152 HG3 ARG 21 HG3 ARG 21 10.532 8.379 6.135 153 HD2 ARG 21 HD2 ARG 21 10.411 8.687 8.434 154 HD3 ARG 21 HD3 ARG 21 11.153 10.184 7.868 155 HE ARG 21 HE ARG 21 9.292 11.331 8.557 156 HH11 ARG 21 HH11 ARG 21 8.588 7.921 8.493 157 HH12 ARG 21 HH12 ARG 21 7.053 8.090 9.278 158 HH21 ARG 21 HH21 ARG 21 7.273 11.565 9.593 159 HH22 ARG 21 HH22 ARG 21 6.306 10.164 9.904 160 H CYS 22 H CYS 22 12.499 8.952 2.543 161 HA CYS 22 HA CYS 22 14.681 8.749 4.471 162 HB2 CYS 22 HB2 CYS 22 15.084 6.425 4.083 163 HB3 CYS 22 HB3 CYS 22 13.385 6.588 4.509 164 H LYS 23 H LYS 23 16.295 7.097 2.788 165 HA LYS 23 HA LYS 23 16.958 9.070 0.726 166 HB2 LYS 23 HB2 LYS 23 18.584 8.043 2.561 167 HB3 LYS 23 HB3 LYS 23 18.751 6.773 1.356 168 HG2 LYS 23 HG2 LYS 23 20.159 8.009 0.181 169 HG3 LYS 23 HG3 LYS 23 18.994 9.332 0.098 170 HD2 LYS 23 HD2 LYS 23 20.558 8.894 2.606 171 HD3 LYS 23 HD3 LYS 23 21.321 9.697 1.231 172 HE2 LYS 23 HE2 LYS 23 20.212 11.593 1.618 173 HE3 LYS 23 HE3 LYS 23 18.674 10.748 1.761 174 HZ1 LYS 23 HZ1 LYS 23 19.005 11.705 3.838 175 HZ2 LYS 23 HZ2 LYS 23 20.655 11.335 3.872 176 HZ3 LYS 23 HZ3 LYS 23 19.506 10.106 4.068 177 H LEU 24 H LEU 24 16.649 5.550 1.140 178 HA LEU 24 HA LEU 24 15.974 5.369 -1.719 179 HB2 LEU 24 HB2 LEU 24 18.002 3.886 -0.162 180 HB3 LEU 24 HB3 LEU 24 17.042 2.946 -1.303 181 HG LEU 24 HG LEU 24 17.823 4.283 -3.143 182 HD11 LEU 24 HD11 LEU 24 18.775 6.056 -0.975 183 HD12 LEU 24 HD12 LEU 24 18.106 6.451 -2.558 184 HD13 LEU 24 HD13 LEU 24 19.785 5.930 -2.415 185 HD21 LEU 24 HD21 LEU 24 19.672 3.060 -3.276 186 HD22 LEU 24 HD22 LEU 24 19.429 2.612 -1.587 187 HD23 LEU 24 HD23 LEU 24 20.450 3.992 -1.997 188 H TRP 25 H TRP 25 16.219 2.615 0.394 189 HA TRP 25 HA TRP 25 13.620 1.714 -0.156 190 HB2 TRP 25 HB2 TRP 25 14.584 -0.131 0.660 191 HB3 TRP 25 HB3 TRP 25 15.892 0.816 1.364 192 HD1 TRP 25 HD1 TRP 25 12.330 -0.398 2.265 193 HE1 TRP 25 HE1 TRP 25 12.190 -0.628 4.825 194 HE3 TRP 25 HE3 TRP 25 16.937 1.442 3.496 195 HZ2 TRP 25 HZ2 TRP 25 13.818 -0.098 7.069 196 HZ3 TRP 25 HZ3 TRP 25 17.569 1.548 5.873 197 HH2 TRP 25 HH2 TRP 25 16.041 0.794 7.620 198 H CYS 26 H CYS 26 11.814 2.718 0.434 199 HA CYS 26 HA CYS 26 11.389 4.679 2.236 200 HB2 CYS 26 HB2 CYS 26 9.579 2.403 1.447 201 HB3 CYS 26 HB3 CYS 26 9.032 3.699 2.506 202 H ARG 27 H ARG 27 11.376 4.946 4.380 203 HA ARG 27 HA ARG 27 12.028 2.670 6.059 204 HB2 ARG 27 HB2 ARG 27 11.991 5.645 6.455 205 HB3 ARG 27 HB3 ARG 27 12.071 4.567 7.841 206 HG2 ARG 27 HG2 ARG 27 14.167 3.746 7.235 207 HG3 ARG 27 HG3 ARG 27 14.013 4.320 5.575 208 HD2 ARG 27 HD2 ARG 27 15.475 5.855 6.508 209 HD3 ARG 27 HD3 ARG 27 13.919 6.670 6.653 210 HE ARG 27 HE ARG 27 14.084 6.511 8.936 211 HH11 ARG 27 HH11 ARG 27 16.447 4.427 7.459 212 HH12 ARG 27 HH12 ARG 27 17.256 4.071 8.948 213 HH21 ARG 27 HH21 ARG 27 15.139 6.050 10.903 214 HH22 ARG 27 HH22 ARG 27 16.512 4.995 10.908 215 H LYS 28 H LYS 28 9.436 2.568 4.984 216 HA LYS 28 HA LYS 28 7.532 3.495 6.923 217 HB2 LYS 28 HB2 LYS 28 7.434 2.527 4.284 218 HB3 LYS 28 HB3 LYS 28 6.526 1.371 5.249 219 HG2 LYS 28 HG2 LYS 28 5.882 4.134 5.892 220 HG3 LYS 28 HG3 LYS 28 5.564 3.719 4.206 221 HD2 LYS 28 HD2 LYS 28 3.654 2.800 4.889 222 HD3 LYS 28 HD3 LYS 28 4.619 1.542 5.665 223 HE2 LYS 28 HE2 LYS 28 3.525 4.069 6.877 224 HE3 LYS 28 HE3 LYS 28 3.168 2.404 7.328 225 HZ1 LYS 28 HZ1 LYS 28 5.661 3.927 7.800 226 HZ2 LYS 28 HZ2 LYS 28 5.602 2.241 7.925 227 HZ3 LYS 28 HZ3 LYS 28 4.647 3.196 8.942 228 H ILE 29 H ILE 29 5.990 0.912 6.655 229 HA ILE 29 HA ILE 29 6.487 -0.168 9.149 230 HB ILE 29 HB ILE 29 5.053 -1.962 8.589 231 HG12 ILE 29 HG12 ILE 29 6.262 -2.706 6.566 232 HG13 ILE 29 HG13 ILE 29 4.522 -2.625 6.301 233 HG21 ILE 29 HG21 ILE 29 4.426 0.706 7.860 234 HG22 ILE 29 HG22 ILE 29 3.630 -0.373 6.716 235 HG23 ILE 29 HG23 ILE 29 3.343 -0.556 8.446 236 HD11 ILE 29 HD11 ILE 29 6.633 -0.731 5.322 237 HD12 ILE 29 HD12 ILE 29 5.538 -1.738 4.374 238 HD13 ILE 29 HD13 ILE 29 4.911 -0.359 5.273 239 H ILE 30 H ILE 30 8.243 -0.600 6.248 240 HA ILE 30 HA ILE 30 10.166 -1.734 5.786 241 HB ILE 30 HB ILE 30 10.141 -2.663 8.657 242 HG12 ILE 30 HG12 ILE 30 10.066 -0.318 8.841 243 HG13 ILE 30 HG13 ILE 30 11.784 -0.697 8.917 244 HG21 ILE 30 HG21 ILE 30 12.086 -2.763 6.429 245 HG22 ILE 30 HG22 ILE 30 12.721 -2.427 8.039 246 HG23 ILE 30 HG23 ILE 30 11.804 -3.906 7.741 247 HD11 ILE 30 HD11 ILE 30 10.270 0.342 6.535 248 HD12 ILE 30 HD12 ILE 30 11.451 1.214 7.514 249 HD13 ILE 30 HD13 ILE 30 11.965 -0.144 6.516 Start of MODEL 10 1 H1 ARG 1 H GLY 1 1.390 -7.205 3.572 2 HA ARG 1 HA2 GLY 1 1.316 -6.757 1.317 3 H TYR 2 H TYR 2 0.760 -4.687 3.237 4 HA TYR 2 HA TYR 2 -1.288 -3.056 1.941 5 HB2 TYR 2 HB2 TYR 2 0.351 -2.512 4.427 6 HB3 TYR 2 HB3 TYR 2 -0.975 -1.519 3.832 7 HD1 TYR 2 HD1 TYR 2 -0.291 -3.535 6.394 8 HD2 TYR 2 HD2 TYR 2 -3.066 -3.362 3.172 9 HE1 TYR 2 HE1 TYR 2 -1.880 -4.883 7.700 10 HE2 TYR 2 HE2 TYR 2 -4.664 -4.708 4.470 11 HH TYR 2 HH TYR 2 -5.019 -5.092 7.125 12 H CYS 3 H CYS 3 -0.721 -0.680 1.678 13 HA CYS 3 HA CYS 3 0.449 0.921 0.567 14 HB2 CYS 3 HB2 CYS 3 2.357 -0.346 2.367 15 HB3 CYS 3 HB3 CYS 3 3.141 0.338 0.947 16 H GLN 4 H GLN 4 2.816 0.947 -0.819 17 HA GLN 4 HA GLN 4 2.467 -1.199 -2.806 18 HB2 GLN 4 HB2 GLN 4 3.459 1.451 -3.709 19 HB3 GLN 4 HB3 GLN 4 2.457 0.278 -4.552 20 HG2 GLN 4 HG2 GLN 4 1.470 1.983 -2.283 21 HG3 GLN 4 HG3 GLN 4 1.327 2.427 -3.982 22 HE21 GLN 4 HE21 GLN 4 -0.799 2.021 -2.108 23 HE22 GLN 4 HE22 GLN 4 -1.763 0.720 -2.708 24 H LYS 5 H LYS 5 4.178 -2.390 -1.906 25 HA LYS 5 HA LYS 5 6.369 -2.828 -1.278 26 HB2 LYS 5 HB2 LYS 5 6.240 -2.102 -4.168 27 HB3 LYS 5 HB3 LYS 5 7.822 -2.392 -3.458 28 HG2 LYS 5 HG2 LYS 5 7.499 -4.550 -3.835 29 HG3 LYS 5 HG3 LYS 5 6.252 -4.518 -2.586 30 HD2 LYS 5 HD2 LYS 5 5.056 -5.364 -4.353 31 HD3 LYS 5 HD3 LYS 5 4.753 -3.637 -4.555 32 HE2 LYS 5 HE2 LYS 5 5.963 -3.517 -6.458 33 HE3 LYS 5 HE3 LYS 5 7.166 -4.676 -5.890 34 HZ1 LYS 5 HZ1 LYS 5 4.903 -6.162 -6.205 35 HZ2 LYS 5 HZ2 LYS 5 6.210 -6.102 -7.279 36 HZ3 LYS 5 HZ3 LYS 5 4.865 -5.108 -7.528 37 H TRP 6 H TRP 6 5.924 -0.544 -0.029 38 HA TRP 6 HA TRP 6 7.094 1.808 -0.584 39 HB2 TRP 6 HB2 TRP 6 7.263 2.218 1.706 40 HB3 TRP 6 HB3 TRP 6 6.048 0.943 1.631 41 HD1 TRP 6 HD1 TRP 6 8.913 1.831 3.608 42 HE1 TRP 6 HE1 TRP 6 9.964 -0.212 4.765 43 HE3 TRP 6 HE3 TRP 6 6.687 -1.879 0.884 44 HZ2 TRP 6 HZ2 TRP 6 9.865 -3.025 4.551 45 HZ3 TRP 6 HZ3 TRP 6 7.219 -4.219 1.423 46 HH2 TRP 6 HH2 TRP 6 8.774 -4.779 3.219 47 H NLE 7 H NLE 7 8.677 -1.173 0.053 48 HA NLE 7 HA NLE 7 11.305 -0.410 0.848 49 HB2 NLE 7 HB2 NLE 7 10.366 -2.719 0.812 50 HB3 NLE 7 HB3 NLE 7 10.557 -2.795 -0.937 51 HG2 NLE 7 HG2 NLE 7 12.871 -3.142 -0.803 52 HG3 NLE 7 HG3 NLE 7 13.090 -2.041 0.552 53 HD2 NLE 7 HD2 NLE 7 13.097 -3.784 2.044 54 HD3 NLE 7 HD3 NLE 7 11.514 -4.344 1.490 55 HE1 NLE 7 HE1 NLE 7 14.122 -4.953 0.191 56 HE2 NLE 7 HE2 NLE 7 13.202 -5.987 1.122 57 HE3 NLE 7 HE3 NLE 7 12.627 -5.476 -0.359 58 H TRP 8 H TRP 8 9.894 0.328 -2.216 59 HA TRP 8 HA TRP 8 11.968 0.274 -4.021 60 HB2 TRP 8 HB2 TRP 8 9.927 2.487 -3.715 61 HB3 TRP 8 HB3 TRP 8 10.861 2.133 -5.167 62 HD1 TRP 8 HD1 TRP 8 10.406 -1.111 -4.942 63 HE1 TRP 8 HE1 TRP 8 8.118 -2.042 -5.664 64 HE3 TRP 8 HE3 TRP 8 7.634 3.167 -4.559 65 HZ2 TRP 8 HZ2 TRP 8 5.486 -1.087 -6.023 66 HZ3 TRP 8 HZ3 TRP 8 5.239 3.073 -5.112 67 HH2 TRP 8 HH2 TRP 8 4.188 0.990 -5.830 68 H THR 9 H THR 9 13.129 2.285 -4.888 69 HA THR 9 HA THR 9 14.735 3.339 -2.726 70 HB THR 9 HB THR 9 15.943 4.493 -4.705 71 HG1 THR 9 HG1 THR 9 14.700 4.265 -6.445 72 HG21 THR 9 HG21 THR 9 16.120 1.566 -5.082 73 HG22 THR 9 HG22 THR 9 16.351 2.154 -3.434 74 HG23 THR 9 HG23 THR 9 17.386 2.745 -4.735 75 H CYS 10 H CYS 10 12.693 4.507 -1.953 76 HA CYS 10 HA CYS 10 11.435 6.598 -3.135 77 HB2 CYS 10 HB2 CYS 10 10.918 7.420 -0.998 78 HB3 CYS 10 HB3 CYS 10 11.209 5.703 -0.732 79 H ASP 11 H ASP 11 11.737 8.913 -3.080 80 HA ASP 11 HA ASP 11 14.290 10.052 -2.499 81 HB2 ASP 11 HB2 ASP 11 13.920 8.921 -5.103 82 HB3 ASP 11 HB3 ASP 11 14.024 10.672 -5.256 83 H SER 12 H SER 12 11.211 10.327 -4.195 84 HA SER 12 HA SER 12 10.481 12.707 -2.889 85 HB2 SER 12 HB2 SER 12 12.324 13.381 -4.680 86 HB3 SER 12 HB3 SER 12 10.944 13.315 -5.775 87 HG SER 12 HG SER 12 10.821 14.743 -3.342 88 H LYS 13 H LYS 13 10.136 10.645 -5.709 89 HA LYS 13 HA LYS 13 7.285 10.503 -5.293 90 HB2 LYS 13 HB2 LYS 13 8.479 11.931 -7.635 91 HB3 LYS 13 HB3 LYS 13 6.999 11.009 -7.861 92 HG2 LYS 13 HG2 LYS 13 6.433 12.464 -5.618 93 HG3 LYS 13 HG3 LYS 13 7.434 13.579 -6.550 94 HD2 LYS 13 HD2 LYS 13 5.849 12.736 -8.514 95 HD3 LYS 13 HD3 LYS 13 4.752 12.458 -7.158 96 HE2 LYS 13 HE2 LYS 13 4.379 14.665 -8.069 97 HE3 LYS 13 HE3 LYS 13 5.075 14.799 -6.453 98 HZ1 LYS 13 HZ1 LYS 13 6.990 15.661 -7.246 99 HZ2 LYS 13 HZ2 LYS 13 5.988 16.169 -8.509 100 HZ3 LYS 13 HZ3 LYS 13 6.942 14.785 -8.691 101 H ARG 14 H ARG 14 8.635 8.404 -4.853 102 HA ARG 14 HA ARG 14 9.060 6.858 -7.292 103 HB2 ARG 14 HB2 ARG 14 10.041 6.750 -4.551 104 HB3 ARG 14 HB3 ARG 14 9.521 5.174 -5.133 105 HG2 ARG 14 HG2 ARG 14 11.454 6.959 -6.595 106 HG3 ARG 14 HG3 ARG 14 11.928 5.661 -5.498 107 HD2 ARG 14 HD2 ARG 14 11.411 4.042 -6.980 108 HD3 ARG 14 HD3 ARG 14 10.003 4.909 -7.593 109 HE ARG 14 HE ARG 14 12.362 6.210 -8.422 110 HH11 ARG 14 HH11 ARG 14 10.503 3.326 -9.011 111 HH12 ARG 14 HH12 ARG 14 11.033 3.161 -10.653 112 HH21 ARG 14 HH21 ARG 14 13.070 6.004 -10.582 113 HH22 ARG 14 HH22 ARG 14 12.496 4.685 -11.543 114 H ALA 15 H ALA 15 6.375 7.692 -6.180 115 HA ALA 15 HA ALA 15 4.273 6.803 -6.221 116 HB1 ALA 15 HB1 ALA 15 3.871 4.701 -7.202 117 HB2 ALA 15 HB2 ALA 15 5.290 5.342 -8.031 118 HB3 ALA 15 HB3 ALA 15 5.478 4.109 -6.785 119 H CYS 16 H CYS 16 6.460 6.394 -3.964 120 HA CYS 16 HA CYS 16 5.497 4.238 -2.390 121 HB2 CYS 16 HB2 CYS 16 7.510 6.306 -2.170 122 HB3 CYS 16 HB3 CYS 16 6.649 6.105 -0.647 123 H CYS 17 H CYS 17 4.550 4.538 -0.189 124 HA CYS 17 HA CYS 17 2.485 6.642 -0.244 125 HB2 CYS 17 HB2 CYS 17 1.178 4.973 1.210 126 HB3 CYS 17 HB3 CYS 17 1.318 4.620 -0.509 127 H GLU 18 H GLU 18 4.502 4.633 1.873 128 HA GLU 18 HA GLU 18 4.638 6.862 3.760 129 HB2 GLU 18 HB2 GLU 18 3.008 4.673 4.244 130 HB3 GLU 18 HB3 GLU 18 4.477 4.292 5.132 131 HG2 GLU 18 HG2 GLU 18 4.171 5.947 6.633 132 HG3 GLU 18 HG3 GLU 18 3.419 7.026 5.460 133 H GLY 19 H GLY 19 6.618 7.151 4.629 134 HA2 GLY 19 HA2 GLY 19 8.729 6.451 5.442 135 HA3 GLY 19 HA3 GLY 19 8.550 4.951 4.545 136 H LEU 20 H LEU 20 7.628 7.351 2.499 137 HA LEU 20 HA LEU 20 9.881 7.074 0.827 138 HB2 LEU 20 HB2 LEU 20 8.811 9.152 -0.302 139 HB3 LEU 20 HB3 LEU 20 7.974 7.601 -0.335 140 HG LEU 20 HG LEU 20 6.629 9.747 0.158 141 HD11 LEU 20 HD11 LEU 20 5.144 8.160 0.587 142 HD12 LEU 20 HD12 LEU 20 5.705 8.136 2.258 143 HD13 LEU 20 HD13 LEU 20 6.419 7.041 1.076 144 HD21 LEU 20 HD21 LEU 20 6.617 10.581 2.344 145 HD22 LEU 20 HD22 LEU 20 8.329 10.435 1.940 146 HD23 LEU 20 HD23 LEU 20 7.557 9.221 2.963 147 H ARG 21 H ARG 21 9.504 8.857 3.621 148 HA ARG 21 HA ARG 21 11.107 11.131 2.879 149 HB2 ARG 21 HB2 ARG 21 10.975 11.742 5.233 150 HB3 ARG 21 HB3 ARG 21 9.387 11.303 4.626 151 HG2 ARG 21 HG2 ARG 21 10.389 8.926 5.609 152 HG3 ARG 21 HG3 ARG 21 10.943 10.135 6.769 153 HD2 ARG 21 HD2 ARG 21 8.791 9.296 7.458 154 HD3 ARG 21 HD3 ARG 21 8.623 10.974 6.939 155 HE ARG 21 HE ARG 21 8.081 9.081 4.852 156 HH11 ARG 21 HH11 ARG 21 6.739 10.778 7.579 157 HH12 ARG 21 HH12 ARG 21 5.107 10.673 7.009 158 HH21 ARG 21 HH21 ARG 21 5.936 8.934 4.091 159 HH22 ARG 21 HH22 ARG 21 4.649 9.622 5.024 160 H CYS 22 H CYS 22 12.493 8.901 2.156 161 HA CYS 22 HA CYS 22 14.754 8.963 4.032 162 HB2 CYS 22 HB2 CYS 22 15.140 6.602 3.784 163 HB3 CYS 22 HB3 CYS 22 13.467 6.829 4.280 164 H LYS 23 H LYS 23 16.334 7.160 2.469 165 HA LYS 23 HA LYS 23 17.003 8.959 0.256 166 HB2 LYS 23 HB2 LYS 23 18.618 7.998 2.169 167 HB3 LYS 23 HB3 LYS 23 18.793 6.705 0.990 168 HG2 LYS 23 HG2 LYS 23 20.545 8.328 0.696 169 HG3 LYS 23 HG3 LYS 23 19.463 8.363 -0.697 170 HD2 LYS 23 HD2 LYS 23 20.100 10.621 0.061 171 HD3 LYS 23 HD3 LYS 23 18.360 10.339 0.167 172 HE2 LYS 23 HE2 LYS 23 18.523 9.955 2.542 173 HE3 LYS 23 HE3 LYS 23 20.282 10.062 2.477 174 HZ1 LYS 23 HZ1 LYS 23 18.310 12.167 2.540 175 HZ2 LYS 23 HZ2 LYS 23 19.527 12.403 1.389 176 HZ3 LYS 23 HZ3 LYS 23 19.935 12.189 3.017 177 H LEU 24 H LEU 24 16.314 5.574 0.974 178 HA LEU 24 HA LEU 24 15.689 5.160 -1.852 179 HB2 LEU 24 HB2 LEU 24 17.757 3.740 -0.269 180 HB3 LEU 24 HB3 LEU 24 16.770 2.774 -1.366 181 HG LEU 24 HG LEU 24 17.476 4.392 -3.192 182 HD11 LEU 24 HD11 LEU 24 18.602 6.202 -2.579 183 HD12 LEU 24 HD12 LEU 24 19.955 5.154 -2.158 184 HD13 LEU 24 HD13 LEU 24 18.773 5.603 -0.929 185 HD21 LEU 24 HD21 LEU 24 19.248 3.047 -3.748 186 HD22 LEU 24 HD22 LEU 24 18.451 2.046 -2.535 187 HD23 LEU 24 HD23 LEU 24 19.871 2.997 -2.097 188 H TRP 25 H TRP 25 16.023 2.526 0.389 189 HA TRP 25 HA TRP 25 13.417 1.588 0.022 190 HB2 TRP 25 HB2 TRP 25 14.398 -0.179 0.978 191 HB3 TRP 25 HB3 TRP 25 15.738 0.823 1.527 192 HD1 TRP 25 HD1 TRP 25 12.273 -0.395 2.707 193 HE1 TRP 25 HE1 TRP 25 12.236 -0.341 5.280 194 HE3 TRP 25 HE3 TRP 25 16.815 1.798 3.538 195 HZ2 TRP 25 HZ2 TRP 25 13.911 0.520 7.382 196 HZ3 TRP 25 HZ3 TRP 25 17.522 2.203 5.858 197 HH2 TRP 25 HH2 TRP 25 16.099 1.577 7.740 198 H CYS 26 H CYS 26 11.640 2.685 0.550 199 HA CYS 26 HA CYS 26 11.258 4.766 2.218 200 HB2 CYS 26 HB2 CYS 26 9.434 2.465 1.566 201 HB3 CYS 26 HB3 CYS 26 8.899 3.775 2.613 202 H ARG 27 H ARG 27 11.356 5.180 4.329 203 HA ARG 27 HA ARG 27 11.839 2.954 6.159 204 HB2 ARG 27 HB2 ARG 27 12.265 5.926 6.346 205 HB3 ARG 27 HB3 ARG 27 12.357 4.894 7.765 206 HG2 ARG 27 HG2 ARG 27 14.199 3.687 6.866 207 HG3 ARG 27 HG3 ARG 27 14.018 4.472 5.297 208 HD2 ARG 27 HD2 ARG 27 15.825 5.555 6.361 209 HD3 ARG 27 HD3 ARG 27 14.456 6.658 6.488 210 HE ARG 27 HE ARG 27 14.339 5.279 8.805 211 HH11 ARG 27 HH11 ARG 27 16.898 6.994 7.183 212 HH12 ARG 27 HH12 ARG 27 17.706 7.438 8.650 213 HH21 ARG 27 HH21 ARG 27 15.395 5.856 10.742 214 HH22 ARG 27 HH22 ARG 27 16.853 6.789 10.675 215 H LYS 28 H LYS 28 9.831 2.100 6.569 216 HA LYS 28 HA LYS 28 8.205 3.537 8.448 217 HB2 LYS 28 HB2 LYS 28 7.411 3.335 5.628 218 HB3 LYS 28 HB3 LYS 28 6.182 2.788 6.759 219 HG2 LYS 28 HG2 LYS 28 7.537 5.475 6.850 220 HG3 LYS 28 HG3 LYS 28 5.944 5.158 6.161 221 HD2 LYS 28 HD2 LYS 28 6.748 4.704 9.034 222 HD3 LYS 28 HD3 LYS 28 5.777 6.052 8.435 223 HE2 LYS 28 HE2 LYS 28 4.296 4.096 7.466 224 HE3 LYS 28 HE3 LYS 28 5.057 3.182 8.766 225 HZ1 LYS 28 HZ1 LYS 28 2.843 4.589 9.095 226 HZ2 LYS 28 HZ2 LYS 28 3.974 5.786 9.480 227 HZ3 LYS 28 HZ3 LYS 28 3.955 4.332 10.343 228 H ILE 29 H ILE 29 6.993 1.063 6.271 229 HA ILE 29 HA ILE 29 6.730 -0.750 8.545 230 HB ILE 29 HB ILE 29 5.350 -2.117 6.932 231 HG12 ILE 29 HG12 ILE 29 6.497 -0.720 4.972 232 HG13 ILE 29 HG13 ILE 29 4.889 -1.412 4.803 233 HG21 ILE 29 HG21 ILE 29 3.461 -0.360 6.915 234 HG22 ILE 29 HG22 ILE 29 4.121 -0.879 8.466 235 HG23 ILE 29 HG23 ILE 29 4.617 0.663 7.768 236 HD11 ILE 29 HD11 ILE 29 5.354 1.063 4.136 237 HD12 ILE 29 HD12 ILE 29 3.853 0.624 4.954 238 HD13 ILE 29 HD13 ILE 29 5.177 1.353 5.865 239 H ILE 30 H ILE 30 9.144 -1.026 8.441 240 HA ILE 30 HA ILE 30 10.429 -2.330 6.320 241 HB ILE 30 HB ILE 30 11.248 -2.882 9.139 242 HG12 ILE 30 HG12 ILE 30 10.745 -0.604 9.408 243 HG13 ILE 30 HG13 ILE 30 12.455 -0.604 8.993 244 HG21 ILE 30 HG21 ILE 30 13.282 -1.888 7.379 245 HG22 ILE 30 HG22 ILE 30 13.153 -3.463 8.161 246 HG23 ILE 30 HG23 ILE 30 12.388 -3.192 6.595 247 HD11 ILE 30 HD11 ILE 30 11.052 -0.440 6.569 248 HD12 ILE 30 HD12 ILE 30 10.277 0.689 7.682 249 HD13 ILE 30 HD13 ILE 30 12.006 0.812 7.364
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