NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
8698 | 1mpz | 5410 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H CYS 1 H CYS 1 -4.350 -4.540 1.721 2 HA CYS 1 HA CYS 1 -3.433 -7.281 2.135 3 1HB CYS 1 1HB CYS 1 -3.596 -6.064 -0.178 4 2HB CYS 1 2HB CYS 1 -2.063 -5.338 0.313 5 H THR 2 H THR 2 -1.840 -7.622 3.655 6 HA THR 2 HA THR 2 0.117 -5.563 4.168 7 HB THR 2 HB THR 2 -1.934 -6.452 6.264 8 HG1 THR 2 1HG THR 2 -1.081 -4.002 4.896 9 1HG2 THR 2 1HG2 THR 2 0.406 -6.206 7.223 10 2HG2 THR 2 2HG2 THR 2 0.462 -4.562 6.542 11 3HG2 THR 2 3HG2 THR 2 -0.725 -4.961 7.808 12 H THR 3 H THR 3 0.903 -7.668 2.922 13 HA THR 3 HA THR 3 1.332 -9.953 4.564 14 HB THR 3 HB THR 3 2.511 -8.964 1.915 15 HG1 THR 3 1HG THR 3 0.520 -10.926 2.819 16 1HG2 THR 3 1HG2 THR 3 3.822 -10.823 3.318 17 2HG2 THR 3 2HG2 THR 3 2.455 -11.854 2.833 18 3HG2 THR 3 3HG2 THR 3 3.480 -11.095 1.592 19 H GLY 4 H GLY 4 3.482 -7.254 3.454 20 1HA GLY 4 1HA GLY 4 4.943 -7.444 5.953 21 2HA GLY 4 2HA GLY 4 5.844 -7.922 4.529 22 HA PRO 5 HA PRO 5 6.626 -3.657 4.062 23 1HB PRO 5 1HB PRO 5 8.151 -3.788 1.800 24 2HB PRO 5 2HB PRO 5 8.801 -4.052 3.416 25 1HG PRO 5 1HG PRO 5 8.137 -5.996 1.299 26 2HG PRO 5 2HG PRO 5 9.222 -6.210 2.720 27 1HD PRO 5 1HD PRO 5 6.572 -7.226 2.336 28 2HD PRO 5 2HD PRO 5 7.537 -7.328 3.814 29 H CYS 6 H CYS 6 4.461 -5.390 2.458 30 HA CYS 6 HA CYS 6 2.990 -4.990 0.859 31 1HB CYS 6 1HB CYS 6 1.969 -2.677 0.940 32 2HB CYS 6 2HB CYS 6 1.946 -3.623 2.430 33 H CYS 7 H CYS 7 5.087 -2.005 0.941 34 HA CYS 7 HA CYS 7 4.927 -1.164 -1.558 35 1HB CYS 7 1HB CYS 7 6.732 -0.848 0.538 36 2HB CYS 7 2HB CYS 7 7.737 -1.302 -0.842 37 H ARG 8 H ARG 8 4.707 -2.478 -3.361 38 HA ARG 8 HA ARG 8 5.492 -3.648 -5.046 39 1HB ARG 8 1HB ARG 8 7.715 -4.115 -5.243 40 2HB ARG 8 2HB ARG 8 7.887 -3.292 -3.684 41 1HG ARG 8 1HG ARG 8 7.610 -5.468 -2.521 42 2HG ARG 8 2HG ARG 8 7.443 -6.289 -4.083 43 1HD ARG 8 1HD ARG 8 9.775 -5.071 -4.565 44 2HD ARG 8 2HD ARG 8 9.888 -5.070 -2.798 45 HE ARG 8 HE ARG 8 10.136 -7.410 -2.839 46 1HH1 ARG 8 2HH2 ARG 8 9.104 -6.280 -6.035 47 2HH1 ARG 8 1HH2 ARG 8 9.370 -7.810 -6.800 48 1HH2 ARG 8 2HH1 ARG 8 10.480 -9.397 -3.836 49 2HH2 ARG 8 1HH1 ARG 8 10.156 -9.599 -5.545 50 H GLN 9 H GLN 9 5.771 -5.110 -1.759 51 HA GLN 9 HA GLN 9 5.140 -7.704 -2.724 52 1HB GLN 9 1HB GLN 9 5.444 -6.469 0.025 53 2HB GLN 9 2HB GLN 9 4.907 -8.146 -0.173 54 1HG GLN 9 1HG GLN 9 7.191 -7.726 -1.866 55 2HG GLN 9 2HG GLN 9 7.586 -7.089 -0.262 56 1HE2 GLN 9 1HE2 GLN 9 8.913 -9.234 -1.294 57 2HE2 GLN 9 2HE2 GLN 9 8.516 -10.685 -0.437 58 H CYS 10 H CYS 10 3.441 -6.026 -0.015 59 HA CYS 10 HA CYS 10 0.935 -6.825 -1.297 60 1HB CYS 10 1HB CYS 10 1.918 -7.271 1.295 61 2HB CYS 10 2HB CYS 10 0.641 -6.065 1.468 62 H LYS 11 H LYS 11 1.557 -4.720 -2.605 63 HA LYS 11 HA LYS 11 -0.094 -2.643 -1.626 64 1HB LYS 11 1HB LYS 11 1.341 -1.419 -0.483 65 2HB LYS 11 2HB LYS 11 2.678 -2.521 -0.861 66 1HG LYS 11 1HG LYS 11 3.161 -0.240 -1.653 67 2HG LYS 11 2HG LYS 11 3.014 -1.347 -3.031 68 1HD LYS 11 1HD LYS 11 0.401 -0.418 -2.594 69 2HD LYS 11 2HD LYS 11 1.410 1.016 -2.335 70 1HE LYS 11 1HE LYS 11 2.514 -0.185 -4.611 71 2HE LYS 11 2HE LYS 11 0.772 -0.422 -4.829 72 1HZ LYS 11 1HZ LYS 11 1.295 1.698 -5.724 73 2HZ LYS 11 2HZ LYS 11 0.592 2.038 -4.296 74 3HZ LYS 11 3HZ LYS 11 2.229 2.089 -4.430 75 H LEU 12 H LEU 12 -1.177 -2.924 -3.591 76 HA LEU 12 HA LEU 12 0.443 -2.371 -5.976 77 1HB LEU 12 1HB LEU 12 -1.203 -3.531 -7.243 78 2HB LEU 12 2HB LEU 12 -0.650 -4.564 -5.913 79 HG LEU 12 HG LEU 12 -2.912 -3.270 -4.909 80 1HD1 LEU 12 1HD1 LEU 12 -3.124 -3.623 -7.848 81 2HD1 LEU 12 2HD1 LEU 12 -4.508 -4.173 -6.875 82 3HD1 LEU 12 3HD1 LEU 12 -3.954 -2.486 -6.758 83 1HD2 LEU 12 1HD2 LEU 12 -2.690 -5.436 -4.238 84 2HD2 LEU 12 2HD2 LEU 12 -3.928 -5.651 -5.500 85 3HD2 LEU 12 3HD2 LEU 12 -2.221 -6.014 -5.855 86 H LYS 13 H LYS 13 -1.342 -0.797 -3.704 87 HA LYS 13 HA LYS 13 -3.331 0.563 -4.950 88 1HB LYS 13 1HB LYS 13 -1.315 1.521 -2.914 89 2HB LYS 13 2HB LYS 13 -2.777 2.423 -3.356 90 1HG LYS 13 1HG LYS 13 -3.566 1.229 -1.537 91 2HG LYS 13 2HG LYS 13 -3.957 0.080 -2.829 92 1HD LYS 13 1HD LYS 13 -1.223 -0.309 -1.940 93 2HD LYS 13 2HD LYS 13 -2.311 -0.351 -0.541 94 1HE LYS 13 1HE LYS 13 -2.770 -1.946 -3.096 95 2HE LYS 13 2HE LYS 13 -1.923 -2.600 -1.687 96 1HZ LYS 13 1HZ LYS 13 -4.430 -3.004 -1.862 97 2HZ LYS 13 2HZ LYS 13 -3.890 -2.472 -0.422 98 3HZ LYS 13 3HZ LYS 13 -4.589 -1.415 -1.468 99 HA PRO 14 HA PRO 14 -1.534 3.107 -7.936 100 1HB PRO 14 1HB PRO 14 -3.123 5.328 -7.897 101 2HB PRO 14 2HB PRO 14 -3.584 3.827 -8.700 102 1HG PRO 14 1HG PRO 14 -4.483 4.954 -6.125 103 2HG PRO 14 2HG PRO 14 -5.286 3.708 -7.146 104 1HD PRO 14 1HD PRO 14 -3.826 3.342 -4.711 105 2HD PRO 14 2HD PRO 14 -4.461 2.069 -5.761 106 H ALA 15 H ALA 15 0.034 3.091 -5.725 107 HA ALA 15 HA ALA 15 1.523 4.284 -4.592 108 1HB ALA 15 1HB ALA 15 2.110 6.469 -6.237 109 2HB ALA 15 2HB ALA 15 2.871 4.861 -6.304 110 3HB ALA 15 3HB ALA 15 1.489 5.236 -7.360 111 H GLY 16 H GLY 16 0.519 5.049 -2.749 112 1HA GLY 16 1HA GLY 16 -0.966 7.587 -2.991 113 2HA GLY 16 2HA GLY 16 -1.147 6.399 -1.716 114 H THR 17 H THR 17 0.157 6.493 0.121 115 HA THR 17 HA THR 17 2.613 7.982 0.081 116 HB THR 17 HB THR 17 0.320 9.025 1.811 117 HG1 THR 17 1HG THR 17 -0.286 9.606 -0.281 118 1HG2 THR 17 1HG2 THR 17 3.176 9.754 1.296 119 2HG2 THR 17 2HG2 THR 17 2.026 11.111 1.234 120 3HG2 THR 17 3HG2 THR 17 2.154 10.120 2.707 121 H THR 18 H THR 18 3.276 8.247 2.621 122 HA THR 18 HA THR 18 3.256 5.500 3.537 123 HB THR 18 HB THR 18 4.740 8.066 4.263 124 HG1 THR 18 1HG THR 18 5.449 5.356 3.384 125 1HG2 THR 18 1HG2 THR 18 5.747 7.066 6.097 126 2HG2 THR 18 2HG2 THR 18 4.202 6.188 6.194 127 3HG2 THR 18 3HG2 THR 18 5.605 5.433 5.400 128 H CYS 19 H CYS 19 2.036 4.649 5.110 129 HA CYS 19 HA CYS 19 0.292 4.553 6.478 130 1HB CYS 19 1HB CYS 19 2.077 6.561 7.840 131 2HB CYS 19 2HB CYS 19 0.638 5.887 8.614 132 H TRP 20 H TRP 20 -0.704 5.826 4.387 133 HA TRP 20 HA TRP 20 -1.812 8.365 5.356 134 1HB TRP 20 1HB TRP 20 -0.618 7.683 2.936 135 2HB TRP 20 2HB TRP 20 -2.346 7.730 2.577 136 HD1 TRP 20 HD TRP 20 0.160 10.085 4.466 137 HE1 TRP 20 1HE TRP 20 -0.345 12.610 3.888 138 HE3 TRP 20 3HE TRP 20 -3.822 9.144 1.448 139 HZ2 TRP 20 2HZ TRP 20 -2.309 13.900 2.269 140 HZ3 TRP 20 3HZ TRP 20 -4.978 11.093 0.407 141 HH2 TRP 20 HH TRP 20 -4.281 13.406 0.777 142 H LYS 21 H LYS 21 -2.851 5.682 3.128 143 HA LYS 21 HA LYS 21 -4.684 4.448 3.068 144 1HB LYS 21 1HB LYS 21 -4.324 3.723 5.276 145 2HB LYS 21 2HB LYS 21 -4.861 5.261 5.973 146 1HG LYS 21 1HG LYS 21 -6.708 3.565 4.273 147 2HG LYS 21 2HG LYS 21 -6.511 3.233 6.002 148 1HD LYS 21 1HD LYS 21 -6.932 5.916 6.088 149 2HD LYS 21 2HD LYS 21 -7.848 5.532 4.621 150 1HE LYS 21 1HE LYS 21 -9.497 5.176 6.198 151 2HE LYS 21 2HE LYS 21 -8.789 3.554 6.189 152 1HZ LYS 21 1HZ LYS 21 -8.971 5.290 8.350 153 2HZ LYS 21 2HZ LYS 21 -8.203 3.855 8.323 154 3HZ LYS 21 3HZ LYS 21 -7.382 5.226 7.933 155 H THR 22 H THR 22 -6.554 4.864 1.980 156 HA THR 22 HA THR 22 -7.519 7.612 2.095 157 HB THR 22 HB THR 22 -8.536 7.045 -0.052 158 HG1 THR 22 1HG THR 22 -8.494 4.729 -0.639 159 1HG2 THR 22 1HG2 THR 22 -6.646 6.006 -1.330 160 2HG2 THR 22 2HG2 THR 22 -6.058 7.276 -0.232 161 3HG2 THR 22 3HG2 THR 22 -5.867 5.562 0.207 162 H SER 23 H SER 23 -9.237 4.447 1.729 163 HA SER 23 HA SER 23 -10.514 4.195 3.978 164 1HB SER 23 1HB SER 23 -11.511 6.667 2.660 165 2HB SER 23 2HB SER 23 -12.770 5.582 3.273 166 HG SER 23 HG SER 23 -12.169 5.985 5.322 167 H LEU 24 H LEU 24 -9.820 2.738 1.652 168 HA LEU 24 HA LEU 24 -12.196 1.286 1.234 169 1HB LEU 24 1HB LEU 24 -13.013 2.769 -0.271 170 2HB LEU 24 2HB LEU 24 -11.412 3.289 -0.826 171 HG LEU 24 HG LEU 24 -11.981 0.498 -1.479 172 1HD1 LEU 24 1HD1 LEU 24 -14.287 1.216 -1.581 173 2HD1 LEU 24 2HD1 LEU 24 -13.843 2.619 -2.582 174 3HD1 LEU 24 3HD1 LEU 24 -13.661 0.969 -3.228 175 1HD2 LEU 24 1HD2 LEU 24 -10.890 0.993 -3.432 176 2HD2 LEU 24 2HD2 LEU 24 -11.524 2.654 -3.502 177 3HD2 LEU 24 3HD2 LEU 24 -10.220 2.247 -2.362 178 H THR 25 H THR 25 -8.908 2.186 0.069 179 HA THR 25 HA THR 25 -8.385 -0.698 -0.248 180 HB THR 25 HB THR 25 -7.800 1.713 -1.923 181 HG1 THR 25 1HG THR 25 -9.169 -0.219 -2.418 182 1HG2 THR 25 1HG2 THR 25 -5.880 0.008 -2.860 183 2HG2 THR 25 2HG2 THR 25 -5.504 1.364 -1.770 184 3HG2 THR 25 3HG2 THR 25 -5.702 -0.278 -1.112 185 H SER 26 H SER 26 -6.607 2.416 0.337 186 HA SER 26 HA SER 26 -5.535 2.829 2.319 187 1HB SER 26 1HB SER 26 -6.288 0.539 3.210 188 2HB SER 26 2HB SER 26 -4.784 -0.110 2.533 189 HG SER 26 HG SER 26 -4.253 2.149 3.991 190 H HIS 27 H HIS 27 -3.812 3.968 1.505 191 HA HIS 27 HA HIS 27 -2.099 2.736 -0.430 192 1HB HIS 27 1HB HIS 27 -2.000 5.468 0.868 193 2HB HIS 27 2HB HIS 27 -1.023 4.948 -0.510 194 HD1 HIS 27 1HD HIS 27 -3.740 3.387 -1.693 195 HD2 HIS 27 2HD HIS 27 -3.170 7.454 -0.829 196 HE1 HIS 27 1HE HIS 27 -5.449 4.662 -3.096 197 HE2 HIS 27 2HE HIS 27 -5.057 7.162 -2.528 198 H TYR 28 H TYR 28 -1.623 4.269 2.835 199 HA TYR 28 HA TYR 28 0.357 4.203 4.024 200 1HB TYR 28 1HB TYR 28 -1.381 1.744 3.997 201 2HB TYR 28 2HB TYR 28 0.168 1.538 4.821 202 HD1 TYR 28 1HD TYR 28 -2.080 4.529 4.698 203 HD2 TYR 28 2HD TYR 28 -0.385 1.417 7.094 204 HE1 TYR 28 1HE TYR 28 -3.064 5.593 6.788 205 HE2 TYR 28 2HE TYR 28 -1.373 2.491 9.177 206 HH TYR 28 HH TYR 28 -2.621 4.066 9.966 207 H CYS 29 H CYS 29 1.427 4.154 1.543 208 HA CYS 29 HA CYS 29 3.819 2.974 1.808 209 1HB CYS 29 1HB CYS 29 1.842 1.026 0.697 210 2HB CYS 29 2HB CYS 29 3.498 1.019 0.086 211 H THR 30 H THR 30 3.013 1.808 -1.229 212 HA THR 30 HA THR 30 2.195 3.690 -2.890 213 HB THR 30 HB THR 30 4.775 4.552 -1.614 214 HG1 THR 30 1HG THR 30 3.091 5.992 -1.334 215 1HG2 THR 30 1HG2 THR 30 5.460 4.137 -4.011 216 2HG2 THR 30 2HG2 THR 30 4.080 5.128 -4.542 217 3HG2 THR 30 3HG2 THR 30 5.404 5.872 -3.613 218 H GLY 31 H GLY 31 4.433 1.185 -2.044 219 1HA GLY 31 1HA GLY 31 4.758 -0.692 -3.362 220 2HA GLY 31 2HA GLY 31 4.308 0.209 -4.796 221 H LYS 32 H LYS 32 6.921 -0.902 -2.796 222 HA LYS 32 HA LYS 32 8.967 -0.936 -4.249 223 1HB LYS 32 1HB LYS 32 8.621 1.034 -5.489 224 2HB LYS 32 2HB LYS 32 8.421 2.029 -4.036 225 1HG LYS 32 1HG LYS 32 10.719 1.964 -5.393 226 2HG LYS 32 2HG LYS 32 10.710 2.112 -3.627 227 1HD LYS 32 1HD LYS 32 11.361 -0.111 -3.312 228 2HD LYS 32 2HD LYS 32 10.729 -0.639 -4.881 229 1HE LYS 32 1HE LYS 32 12.612 1.089 -5.749 230 2HE LYS 32 2HE LYS 32 13.352 0.657 -4.199 231 1HZ LYS 32 1HZ LYS 32 13.815 -1.402 -4.978 232 2HZ LYS 32 2HZ LYS 32 12.361 -1.608 -5.682 233 3HZ LYS 32 3HZ LYS 32 13.530 -0.751 -6.460 234 H SER 33 H SER 33 9.391 1.918 -2.197 235 HA SER 33 HA SER 33 10.514 0.120 -0.193 236 1HB SER 33 1HB SER 33 11.398 2.754 -1.317 237 2HB SER 33 2HB SER 33 11.748 2.444 0.395 238 HG SER 33 HG SER 33 13.341 1.163 -0.218 239 H CYS 34 H CYS 34 8.410 -0.063 0.879 240 HA CYS 34 HA CYS 34 7.763 2.376 2.364 241 1HB CYS 34 1HB CYS 34 5.710 0.381 1.417 242 2HB CYS 34 2HB CYS 34 5.424 1.925 2.228 243 H ASP 35 H ASP 35 5.931 1.311 4.166 244 HA ASP 35 HA ASP 35 6.607 -1.223 5.087 245 1HB ASP 35 1HB ASP 35 8.697 0.229 5.655 246 2HB ASP 35 2HB ASP 35 7.672 0.989 6.881 247 HD2 ASP 35 HD ASP 35 9.352 -2.504 7.585 248 H CYS 36 H CYS 36 4.276 0.450 4.527 249 HA CYS 36 HA CYS 36 3.198 0.725 7.240 250 1HB CYS 36 1HB CYS 36 2.935 2.490 4.850 251 2HB CYS 36 2HB CYS 36 1.564 2.353 5.955 252 HA PRO 37 HA PRO 37 0.398 -2.273 5.735 253 1HB PRO 37 1HB PRO 37 -1.404 -2.256 7.789 254 2HB PRO 37 2HB PRO 37 0.107 -3.161 7.840 255 1HG PRO 37 1HG PRO 37 -0.624 -0.615 9.139 256 2HG PRO 37 2HG PRO 37 0.703 -1.756 9.569 257 1HD PRO 37 1HD PRO 37 0.888 0.769 8.230 258 2HD PRO 37 2HD PRO 37 2.200 -0.388 8.485 259 H LEU 38 H LEU 38 -0.826 -2.035 3.983 260 HA LEU 38 HA LEU 38 -2.637 0.250 4.055 261 1HB LEU 38 1HB LEU 38 -2.787 -0.861 1.552 262 2HB LEU 38 2HB LEU 38 -1.798 0.528 2.034 263 HG LEU 38 HG LEU 38 -0.351 -1.864 2.629 264 1HD1 LEU 38 1HD1 LEU 38 -1.110 -3.306 1.098 265 2HD1 LEU 38 2HD1 LEU 38 -1.981 -2.045 0.195 266 3HD1 LEU 38 3HD1 LEU 38 -0.241 -2.295 -0.080 267 1HD2 LEU 38 1HD2 LEU 38 0.186 0.068 0.370 268 2HD2 LEU 38 2HD2 LEU 38 0.456 0.483 2.079 269 3HD2 LEU 38 3HD2 LEU 38 1.351 -0.867 1.338 270 H TYR 39 H TYR 39 -3.948 -0.970 5.725 271 HA TYR 39 HA TYR 39 -6.282 -1.889 4.660 272 1HB TYR 39 1HB TYR 39 -5.340 -3.903 3.817 273 2HB TYR 39 2HB TYR 39 -4.063 -3.926 5.037 274 HD1 TYR 39 1HD TYR 39 -4.175 -5.595 6.638 275 HD2 TYR 39 2HD TYR 39 -7.808 -4.209 4.852 276 HE1 TYR 39 1HE TYR 39 -5.491 -7.327 7.954 277 HE2 TYR 39 2HE TYR 39 -9.112 -5.947 6.174 278 HH TYR 39 HH TYR 39 -7.589 -8.514 7.766 279 HA PRO 40 HA PRO 40 -6.376 -1.186 9.062 280 1HB PRO 40 1HB PRO 40 -8.662 0.309 9.077 281 2HB PRO 40 2HB PRO 40 -7.053 1.010 8.932 282 1HG PRO 40 1HG PRO 40 -9.119 0.566 6.874 283 2HG PRO 40 2HG PRO 40 -7.715 1.692 6.831 284 1HD PRO 40 1HD PRO 40 -8.031 -0.811 5.479 285 2HD PRO 40 2HD PRO 40 -6.569 0.181 5.532 286 H GLY 41 H GLY 41 -6.935 -2.774 10.399 287 1HA GLY 41 1HA GLY 41 -9.663 -3.624 10.471 288 2HA GLY 41 2HA GLY 41 -8.639 -4.803 9.677 Start of MODEL 2 1 H CYS 1 H CYS 1 -1.823 -3.345 2.229 2 HA CYS 1 HA CYS 1 -3.790 -4.339 1.925 3 1HB CYS 1 1HB CYS 1 -4.117 -5.871 0.357 4 2HB CYS 1 2HB CYS 1 -2.405 -5.646 -0.011 5 H THR 2 H THR 2 -1.090 -6.507 3.007 6 HA THR 2 HA THR 2 -1.801 -6.615 5.648 7 HB THR 2 HB THR 2 -3.774 -7.926 4.118 8 HG1 THR 2 1HG THR 2 -2.860 -8.468 6.850 9 1HG2 THR 2 1HG2 THR 2 -2.179 -9.998 5.694 10 2HG2 THR 2 2HG2 THR 2 -3.593 -10.270 4.646 11 3HG2 THR 2 3HG2 THR 2 -2.021 -9.845 3.927 12 H THR 3 H THR 3 -0.185 -7.711 2.819 13 HA THR 3 HA THR 3 1.262 -9.870 3.813 14 HB THR 3 HB THR 3 2.201 -7.725 1.842 15 HG1 THR 3 1HG THR 3 0.442 -10.070 1.661 16 1HG2 THR 3 1HG2 THR 3 3.922 -9.261 1.690 17 2HG2 THR 3 2HG2 THR 3 2.985 -10.529 2.516 18 3HG2 THR 3 3HG2 THR 3 2.729 -10.221 0.782 19 H GLY 4 H GLY 4 3.759 -7.850 3.007 20 1HA GLY 4 1HA GLY 4 4.410 -7.438 5.860 21 2HA GLY 4 2HA GLY 4 5.567 -7.749 4.580 22 HA PRO 5 HA PRO 5 5.914 -3.407 4.353 23 1HB PRO 5 1HB PRO 5 7.740 -3.266 2.327 24 2HB PRO 5 2HB PRO 5 8.187 -3.536 4.010 25 1HG PRO 5 1HG PRO 5 8.044 -5.435 1.760 26 2HG PRO 5 2HG PRO 5 8.941 -5.600 3.311 27 1HD PRO 5 1HD PRO 5 6.501 -6.873 2.521 28 2HD PRO 5 2HD PRO 5 7.258 -6.943 4.119 29 H CYS 6 H CYS 6 4.183 -5.275 2.419 30 HA CYS 6 HA CYS 6 2.742 -4.913 0.806 31 1HB CYS 6 1HB CYS 6 1.530 -2.917 0.738 32 2HB CYS 6 2HB CYS 6 2.032 -3.117 2.420 33 H CYS 7 H CYS 7 5.332 -2.368 0.821 34 HA CYS 7 HA CYS 7 5.340 -1.642 -1.770 35 1HB CYS 7 1HB CYS 7 7.387 -1.853 0.342 36 2HB CYS 7 2HB CYS 7 8.012 -1.745 -1.307 37 H ARG 8 H ARG 8 4.928 -3.152 -3.399 38 HA ARG 8 HA ARG 8 5.662 -4.534 -4.959 39 1HB ARG 8 1HB ARG 8 7.675 -5.804 -3.070 40 2HB ARG 8 2HB ARG 8 7.714 -5.780 -4.841 41 1HG ARG 8 1HG ARG 8 7.647 -3.071 -3.776 42 2HG ARG 8 2HG ARG 8 8.991 -3.976 -3.055 43 1HD ARG 8 1HD ARG 8 8.503 -4.101 -6.037 44 2HD ARG 8 2HD ARG 8 9.337 -2.698 -5.350 45 HE ARG 8 HE ARG 8 10.432 -5.243 -4.426 46 1HH1 ARG 8 2HH2 ARG 8 10.538 -2.868 -7.054 47 2HH1 ARG 8 1HH2 ARG 8 12.129 -3.322 -7.565 48 1HH2 ARG 8 2HH1 ARG 8 12.498 -5.828 -5.094 49 2HH2 ARG 8 1HH1 ARG 8 13.256 -5.015 -6.447 50 H GLN 9 H GLN 9 4.982 -5.353 -1.619 51 HA GLN 9 HA GLN 9 4.294 -8.068 -2.305 52 1HB GLN 9 1HB GLN 9 4.662 -6.498 0.214 53 2HB GLN 9 2HB GLN 9 3.538 -7.865 0.284 54 1HG GLN 9 1HG GLN 9 6.365 -8.068 -0.826 55 2HG GLN 9 2HG GLN 9 5.977 -8.388 0.872 56 1HE2 GLN 9 1HE2 GLN 9 6.507 -10.516 0.841 57 2HE2 GLN 9 2HE2 GLN 9 5.627 -11.737 -0.018 58 H CYS 10 H CYS 10 2.454 -6.044 0.005 59 HA CYS 10 HA CYS 10 0.115 -6.449 -1.714 60 1HB CYS 10 1HB CYS 10 0.581 -6.988 1.078 61 2HB CYS 10 2HB CYS 10 -0.748 -5.837 0.892 62 H LYS 11 H LYS 11 1.258 -4.386 -2.713 63 HA LYS 11 HA LYS 11 -0.129 -2.109 -1.597 64 1HB LYS 11 1HB LYS 11 1.610 -0.904 -0.893 65 2HB LYS 11 2HB LYS 11 2.443 -2.461 -0.759 66 1HG LYS 11 1HG LYS 11 3.981 -1.559 -2.155 67 2HG LYS 11 2HG LYS 11 2.789 -1.805 -3.444 68 1HD LYS 11 1HD LYS 11 3.638 0.692 -2.048 69 2HD LYS 11 2HD LYS 11 3.134 0.461 -3.730 70 1HE LYS 11 1HE LYS 11 0.791 -0.070 -2.410 71 2HE LYS 11 2HE LYS 11 1.510 1.117 -1.313 72 1HZ LYS 11 1HZ LYS 11 0.861 1.469 -4.180 73 2HZ LYS 11 2HZ LYS 11 0.316 2.347 -2.923 74 3HZ LYS 11 3HZ LYS 11 1.893 2.461 -3.373 75 H LEU 12 H LEU 12 -0.316 -3.922 -3.954 76 HA LEU 12 HA LEU 12 0.796 -2.795 -6.218 77 1HB LEU 12 1HB LEU 12 -0.994 -3.934 -7.420 78 2HB LEU 12 2HB LEU 12 -0.199 -4.970 -6.223 79 HG LEU 12 HG LEU 12 -2.334 -3.988 -4.807 80 1HD1 LEU 12 1HD1 LEU 12 -3.771 -3.040 -6.236 81 2HD1 LEU 12 2HD1 LEU 12 -2.968 -3.741 -7.662 82 3HD1 LEU 12 3HD1 LEU 12 -4.146 -4.706 -6.739 83 1HD2 LEU 12 1HD2 LEU 12 -1.349 -6.410 -5.422 84 2HD2 LEU 12 2HD2 LEU 12 -2.922 -6.164 -4.626 85 3HD2 LEU 12 3HD2 LEU 12 -2.848 -6.451 -6.380 86 H LYS 13 H LYS 13 -1.381 -1.407 -3.989 87 HA LYS 13 HA LYS 13 -3.224 -0.034 -5.351 88 1HB LYS 13 1HB LYS 13 -1.400 1.014 -3.179 89 2HB LYS 13 2HB LYS 13 -2.914 1.784 -3.682 90 1HG LYS 13 1HG LYS 13 -3.672 0.492 -1.915 91 2HG LYS 13 2HG LYS 13 -3.902 -0.661 -3.240 92 1HD LYS 13 1HD LYS 13 -1.187 -0.835 -2.245 93 2HD LYS 13 2HD LYS 13 -2.317 -0.982 -0.888 94 1HE LYS 13 1HE LYS 13 -3.170 -2.518 -3.248 95 2HE LYS 13 2HE LYS 13 -1.578 -3.022 -2.666 96 1HZ LYS 13 1HZ LYS 13 -3.461 -2.641 -0.536 97 2HZ LYS 13 2HZ LYS 13 -3.975 -3.769 -1.591 98 3HZ LYS 13 3HZ LYS 13 -2.492 -3.920 -0.897 99 HA PRO 14 HA PRO 14 -1.306 2.637 -8.144 100 1HB PRO 14 1HB PRO 14 -2.963 4.808 -8.172 101 2HB PRO 14 2HB PRO 14 -3.319 3.314 -9.036 102 1HG PRO 14 1HG PRO 14 -4.429 4.354 -6.507 103 2HG PRO 14 2HG PRO 14 -5.120 3.109 -7.609 104 1HD PRO 14 1HD PRO 14 -3.824 2.728 -5.084 105 2HD PRO 14 2HD PRO 14 -4.344 1.463 -6.205 106 H ALA 15 H ALA 15 -0.160 2.670 -5.542 107 HA ALA 15 HA ALA 15 1.281 3.866 -4.366 108 1HB ALA 15 1HB ALA 15 2.782 4.558 -5.892 109 2HB ALA 15 2HB ALA 15 1.508 4.818 -7.108 110 3HB ALA 15 3HB ALA 15 1.909 6.108 -5.949 111 H GLY 16 H GLY 16 1.049 5.269 -2.657 112 1HA GLY 16 1HA GLY 16 -0.738 7.573 -2.988 113 2HA GLY 16 2HA GLY 16 -1.137 6.371 -1.778 114 H THR 17 H THR 17 -0.549 7.035 0.237 115 HA THR 17 HA THR 17 2.081 8.340 0.486 116 HB THR 17 HB THR 17 -0.597 8.974 1.827 117 HG1 THR 17 1HG THR 17 0.025 9.838 -0.351 118 1HG2 THR 17 1HG2 THR 17 2.195 10.134 2.335 119 2HG2 THR 17 2HG2 THR 17 0.673 10.808 2.968 120 3HG2 THR 17 3HG2 THR 17 1.232 9.207 3.510 121 H THR 18 H THR 18 2.983 8.171 2.764 122 HA THR 18 HA THR 18 2.826 5.379 3.502 123 HB THR 18 HB THR 18 4.615 7.760 4.034 124 HG1 THR 18 1HG THR 18 6.071 6.130 3.208 125 1HG2 THR 18 1HG2 THR 18 4.279 6.739 6.303 126 2HG2 THR 18 2HG2 THR 18 4.638 5.136 5.618 127 3HG2 THR 18 3HG2 THR 18 5.903 6.387 5.665 128 H CYS 19 H CYS 19 2.009 4.494 5.356 129 HA CYS 19 HA CYS 19 0.388 4.379 6.884 130 1HB CYS 19 1HB CYS 19 1.878 6.585 8.277 131 2HB CYS 19 2HB CYS 19 1.058 5.189 8.982 132 H TRP 20 H TRP 20 -0.805 5.699 4.891 133 HA TRP 20 HA TRP 20 -1.931 8.128 6.110 134 1HB TRP 20 1HB TRP 20 -0.629 8.176 3.857 135 2HB TRP 20 2HB TRP 20 -2.116 7.502 3.185 136 HD1 TRP 20 HD TRP 20 -3.838 9.318 2.438 137 HE1 TRP 20 1HE TRP 20 -4.330 11.873 2.871 138 HE3 TRP 20 3HE TRP 20 -0.260 9.945 5.995 139 HZ2 TRP 20 2HZ TRP 20 -3.194 13.827 4.613 140 HZ3 TRP 20 3HZ TRP 20 -0.017 12.208 7.012 141 HH2 TRP 20 HH TRP 20 -1.411 14.111 6.376 142 H LYS 21 H LYS 21 -2.797 5.528 3.706 143 HA LYS 21 HA LYS 21 -4.554 4.190 3.571 144 1HB LYS 21 1HB LYS 21 -4.394 3.400 5.732 145 2HB LYS 21 2HB LYS 21 -4.787 4.965 6.465 146 1HG LYS 21 1HG LYS 21 -6.741 3.661 6.756 147 2HG LYS 21 2HG LYS 21 -7.122 4.681 5.358 148 1HD LYS 21 1HD LYS 21 -6.818 2.892 3.835 149 2HD LYS 21 2HD LYS 21 -5.910 1.918 5.004 150 1HE LYS 21 1HE LYS 21 -8.543 2.543 6.058 151 2HE LYS 21 2HE LYS 21 -8.706 1.827 4.447 152 1HZ LYS 21 1HZ LYS 21 -6.905 0.198 5.529 153 2HZ LYS 21 2HZ LYS 21 -7.680 0.629 6.896 154 3HZ LYS 21 3HZ LYS 21 -8.530 -0.025 5.647 155 H THR 22 H THR 22 -6.080 4.739 2.121 156 HA THR 22 HA THR 22 -7.231 7.367 2.197 157 HB THR 22 HB THR 22 -8.174 6.663 0.042 158 HG1 THR 22 1HG THR 22 -8.400 4.439 -0.328 159 1HG2 THR 22 1HG2 THR 22 -6.211 5.920 -1.162 160 2HG2 THR 22 2HG2 THR 22 -5.597 6.922 0.176 161 3HG2 THR 22 3HG2 THR 22 -5.531 5.147 0.291 162 H SER 23 H SER 23 -7.972 4.352 3.679 163 HA SER 23 HA SER 23 -9.573 4.127 5.233 164 1HB SER 23 1HB SER 23 -10.168 6.629 4.821 165 2HB SER 23 2HB SER 23 -11.455 6.004 3.776 166 HG SER 23 HG SER 23 -11.052 5.378 6.578 167 H LEU 24 H LEU 24 -9.605 3.858 1.836 168 HA LEU 24 HA LEU 24 -11.847 1.963 1.959 169 1HB LEU 24 1HB LEU 24 -12.289 3.934 0.586 170 2HB LEU 24 2HB LEU 24 -10.865 3.570 -0.404 171 HG LEU 24 HG LEU 24 -12.682 1.304 -0.247 172 1HD1 LEU 24 1HD1 LEU 24 -14.619 2.451 -0.198 173 2HD1 LEU 24 2HD1 LEU 24 -13.862 3.973 -0.727 174 3HD1 LEU 24 3HD1 LEU 24 -14.270 2.721 -1.923 175 1HD2 LEU 24 1HD2 LEU 24 -10.766 1.944 -1.905 176 2HD2 LEU 24 2HD2 LEU 24 -12.212 1.090 -2.494 177 3HD2 LEU 24 3HD2 LEU 24 -12.053 2.845 -2.743 178 H THR 25 H THR 25 -9.004 2.607 -0.211 179 HA THR 25 HA THR 25 -8.525 -0.269 -0.268 180 HB THR 25 HB THR 25 -7.984 2.123 -1.976 181 HG1 THR 25 1HG THR 25 -8.584 0.466 -3.475 182 1HG2 THR 25 1HG2 THR 25 -5.636 1.284 -1.425 183 2HG2 THR 25 2HG2 THR 25 -6.136 -0.316 -2.024 184 3HG2 THR 25 3HG2 THR 25 -6.092 1.077 -3.133 185 H SER 26 H SER 26 -6.827 2.802 0.597 186 HA SER 26 HA SER 26 -5.479 3.015 2.382 187 1HB SER 26 1HB SER 26 -4.690 0.091 2.220 188 2HB SER 26 2HB SER 26 -4.492 1.196 3.592 189 HG SER 26 HG SER 26 -7.122 1.126 2.973 190 H HIS 27 H HIS 27 -3.410 3.877 2.121 191 HA HIS 27 HA HIS 27 -1.964 2.904 -0.232 192 1HB HIS 27 1HB HIS 27 -2.083 5.634 1.055 193 2HB HIS 27 2HB HIS 27 -0.917 5.201 -0.201 194 HD1 HIS 27 1HD HIS 27 -2.966 7.462 -0.687 195 HD2 HIS 27 2HD HIS 27 -3.596 3.455 -1.757 196 HE1 HIS 27 1HE HIS 27 -4.714 7.485 -2.547 197 HE2 HIS 27 2HE HIS 27 -5.069 4.993 -3.170 198 H TYR 28 H TYR 28 -1.538 4.269 3.104 199 HA TYR 28 HA TYR 28 0.419 4.295 4.306 200 1HB TYR 28 1HB TYR 28 -1.045 1.710 4.009 201 2HB TYR 28 2HB TYR 28 0.582 1.490 4.662 202 HD1 TYR 28 1HD TYR 28 -2.338 3.807 5.177 203 HD2 TYR 28 2HD TYR 28 0.733 1.427 6.969 204 HE1 TYR 28 1HE TYR 28 -3.190 4.435 7.489 205 HE2 TYR 28 2HE TYR 28 -0.128 2.063 9.273 206 HH TYR 28 HH TYR 28 -2.098 4.601 9.823 207 H CYS 29 H CYS 29 1.122 4.292 1.454 208 HA CYS 29 HA CYS 29 3.746 3.936 1.502 209 1HB CYS 29 1HB CYS 29 3.957 1.651 0.264 210 2HB CYS 29 2HB CYS 29 3.960 1.732 2.027 211 H THR 30 H THR 30 4.444 2.961 -1.014 212 HA THR 30 HA THR 30 2.439 4.012 -2.870 213 HB THR 30 HB THR 30 3.998 5.881 -2.200 214 HG1 THR 30 1HG THR 30 3.332 6.079 -4.340 215 1HG2 THR 30 1HG2 THR 30 6.072 4.497 -1.818 216 2HG2 THR 30 2HG2 THR 30 6.094 4.101 -3.553 217 3HG2 THR 30 3HG2 THR 30 6.338 5.782 -3.021 218 H GLY 31 H GLY 31 5.531 2.260 -2.318 219 1HA GLY 31 1HA GLY 31 5.137 -0.044 -3.476 220 2HA GLY 31 2HA GLY 31 5.217 0.946 -4.920 221 H LYS 32 H LYS 32 7.035 -0.938 -2.803 222 HA LYS 32 HA LYS 32 9.206 -1.399 -2.775 223 1HB LYS 32 1HB LYS 32 9.183 -0.719 -5.181 224 2HB LYS 32 2HB LYS 32 9.676 0.908 -4.681 225 1HG LYS 32 1HG LYS 32 11.491 -0.865 -5.380 226 2HG LYS 32 2HG LYS 32 11.799 0.180 -3.982 227 1HD LYS 32 1HD LYS 32 11.227 -1.566 -2.443 228 2HD LYS 32 2HD LYS 32 10.514 -2.570 -3.717 229 1HE LYS 32 1HE LYS 32 12.531 -3.609 -3.781 230 2HE LYS 32 2HE LYS 32 13.116 -2.172 -4.632 231 1HZ LYS 32 1HZ LYS 32 14.407 -2.824 -2.589 232 2HZ LYS 32 2HZ LYS 32 13.892 -1.280 -2.569 233 3HZ LYS 32 3HZ LYS 32 13.077 -2.421 -1.708 234 H SER 33 H SER 33 9.364 2.200 -3.185 235 HA SER 33 HA SER 33 10.850 2.318 -0.746 236 1HB SER 33 1HB SER 33 11.078 3.705 -3.012 237 2HB SER 33 2HB SER 33 9.929 4.787 -2.205 238 HG SER 33 HG SER 33 11.423 5.277 -0.657 239 H CYS 34 H CYS 34 9.020 1.512 0.635 240 HA CYS 34 HA CYS 34 7.467 3.776 1.543 241 1HB CYS 34 1HB CYS 34 5.364 2.752 1.450 242 2HB CYS 34 2HB CYS 34 6.068 2.571 -0.159 243 H ASP 35 H ASP 35 5.849 2.144 3.355 244 HA ASP 35 HA ASP 35 7.143 0.183 4.670 245 1HB ASP 35 1HB ASP 35 8.685 2.454 4.960 246 2HB ASP 35 2HB ASP 35 7.676 2.534 6.413 247 HD2 ASP 35 HD ASP 35 10.656 1.808 6.227 248 H CYS 36 H CYS 36 4.690 -0.027 4.599 249 HA CYS 36 HA CYS 36 3.519 0.319 7.021 250 1HB CYS 36 1HB CYS 36 3.615 2.817 5.682 251 2HB CYS 36 2HB CYS 36 1.932 2.283 5.680 252 HA PRO 37 HA PRO 37 0.913 -2.213 4.590 253 1HB PRO 37 1HB PRO 37 -0.885 -2.948 6.509 254 2HB PRO 37 2HB PRO 37 0.677 -3.734 6.303 255 1HG PRO 37 1HG PRO 37 -0.206 -1.776 8.324 256 2HG PRO 37 2HG PRO 37 1.187 -2.914 8.397 257 1HD PRO 37 1HD PRO 37 1.219 -0.091 7.925 258 2HD PRO 37 2HD PRO 37 2.599 -1.191 7.829 259 H LEU 38 H LEU 38 -0.966 -2.237 3.357 260 HA LEU 38 HA LEU 38 -2.480 0.241 3.756 261 1HB LEU 38 1HB LEU 38 -2.535 -1.419 1.272 262 2HB LEU 38 2HB LEU 38 -2.873 0.309 1.477 263 HG LEU 38 HG LEU 38 -0.384 0.560 2.005 264 1HD1 LEU 38 1HD1 LEU 38 -0.520 -2.320 1.506 265 2HD1 LEU 38 2HD1 LEU 38 0.726 -1.494 0.541 266 3HD1 LEU 38 3HD1 LEU 38 0.733 -1.347 2.315 267 1HD2 LEU 38 1HD2 LEU 38 -0.416 -0.327 -0.784 268 2HD2 LEU 38 2HD2 LEU 38 -1.804 0.700 -0.351 269 3HD2 LEU 38 3HD2 LEU 38 -0.145 1.289 -0.092 270 H TYR 39 H TYR 39 -3.736 -0.698 5.513 271 HA TYR 39 HA TYR 39 -6.168 -1.737 4.647 272 1HB TYR 39 1HB TYR 39 -4.092 -3.637 4.742 273 2HB TYR 39 2HB TYR 39 -4.829 -3.816 6.338 274 HD1 TYR 39 1HD TYR 39 -5.915 -5.898 6.201 275 HD2 TYR 39 2HD TYR 39 -6.489 -3.027 3.081 276 HE1 TYR 39 1HE TYR 39 -7.723 -7.362 5.176 277 HE2 TYR 39 2HE TYR 39 -8.295 -4.501 2.067 278 HH TYR 39 HH TYR 39 -8.665 -7.296 2.277 279 HA PRO 40 HA PRO 40 -7.093 -0.501 8.687 280 1HB PRO 40 1HB PRO 40 -9.506 -1.709 9.111 281 2HB PRO 40 2HB PRO 40 -9.322 -0.225 8.182 282 1HG PRO 40 1HG PRO 40 -9.767 -2.993 7.264 283 2HG PRO 40 2HG PRO 40 -10.060 -1.455 6.376 284 1HD PRO 40 1HD PRO 40 -7.922 -3.328 6.033 285 2HD PRO 40 2HD PRO 40 -8.079 -1.752 5.247 286 H GLY 41 H GLY 41 -7.861 -3.935 8.318 287 1HA GLY 41 1HA GLY 41 -6.721 -4.334 11.013 288 2HA GLY 41 2HA GLY 41 -7.912 -5.358 10.238 Start of MODEL 3 1 H CYS 1 H CYS 1 -4.121 -2.876 1.644 2 HA CYS 1 HA CYS 1 -2.851 -4.965 0.395 3 1HB CYS 1 1HB CYS 1 -1.456 -3.224 0.465 4 2HB CYS 1 2HB CYS 1 -2.057 -2.646 2.022 5 H THR 2 H THR 2 -1.091 -6.399 1.572 6 HA THR 2 HA THR 2 -1.110 -7.111 4.174 7 HB THR 2 HB THR 2 -3.529 -7.474 4.125 8 HG1 THR 2 1HG THR 2 -2.098 -10.002 3.706 9 1HG2 THR 2 1HG2 THR 2 -4.333 -7.958 1.992 10 2HG2 THR 2 2HG2 THR 2 -2.865 -8.854 1.536 11 3HG2 THR 2 3HG2 THR 2 -4.100 -9.630 2.556 12 H THR 3 H THR 3 1.023 -7.190 3.025 13 HA THR 3 HA THR 3 1.527 -9.973 2.320 14 HB THR 3 HB THR 3 2.470 -7.646 0.572 15 HG1 THR 3 1HG THR 3 0.079 -8.080 0.636 16 1HG2 THR 3 1HG2 THR 3 2.317 -9.926 -0.974 17 2HG2 THR 3 2HG2 THR 3 3.815 -9.370 -0.187 18 3HG2 THR 3 3HG2 THR 3 2.808 -10.616 0.591 19 H GLY 4 H GLY 4 4.178 -8.296 1.332 20 1HA GLY 4 1HA GLY 4 5.507 -8.776 3.885 21 2HA GLY 4 2HA GLY 4 6.254 -8.478 2.328 22 HA PRO 5 HA PRO 5 6.795 -4.504 4.179 23 1HB PRO 5 1HB PRO 5 8.871 -3.710 2.594 24 2HB PRO 5 2HB PRO 5 9.092 -4.614 4.090 25 1HG PRO 5 1HG PRO 5 9.238 -5.521 1.286 26 2HG PRO 5 2HG PRO 5 9.924 -6.302 2.755 27 1HD PRO 5 1HD PRO 5 7.604 -7.057 1.256 28 2HD PRO 5 2HD PRO 5 8.146 -7.760 2.785 29 H CYS 6 H CYS 6 4.531 -4.594 2.934 30 HA CYS 6 HA CYS 6 3.674 -3.811 0.797 31 1HB CYS 6 1HB CYS 6 2.122 -2.562 1.766 32 2HB CYS 6 2HB CYS 6 2.972 -2.932 3.269 33 H CYS 7 H CYS 7 4.898 -3.222 -0.988 34 HA CYS 7 HA CYS 7 5.450 -0.727 -1.674 35 1HB CYS 7 1HB CYS 7 7.235 -1.373 0.438 36 2HB CYS 7 2HB CYS 7 8.186 -1.238 -1.045 37 H ARG 8 H ARG 8 4.700 -3.170 -2.826 38 HA ARG 8 HA ARG 8 5.763 -3.303 -5.150 39 1HB ARG 8 1HB ARG 8 8.048 -3.510 -4.603 40 2HB ARG 8 2HB ARG 8 7.737 -4.631 -3.266 41 1HG ARG 8 1HG ARG 8 8.670 -5.949 -5.019 42 2HG ARG 8 2HG ARG 8 6.934 -6.303 -5.053 43 1HD ARG 8 1HD ARG 8 8.302 -4.228 -6.820 44 2HD ARG 8 2HD ARG 8 7.968 -5.887 -7.336 45 HE ARG 8 HE ARG 8 5.499 -5.133 -6.576 46 1HH1 ARG 8 2HH2 ARG 8 7.897 -3.309 -8.440 47 2HH1 ARG 8 1HH2 ARG 8 6.710 -2.397 -9.310 48 1HH2 ARG 8 2HH1 ARG 8 3.960 -3.945 -7.708 49 2HH2 ARG 8 1HH1 ARG 8 4.456 -2.756 -8.895 50 H GLN 9 H GLN 9 4.502 -4.862 -2.362 51 HA GLN 9 HA GLN 9 3.306 -6.869 -4.073 52 1HB GLN 9 1HB GLN 9 5.006 -7.366 -1.657 53 2HB GLN 9 2HB GLN 9 3.585 -8.403 -1.880 54 1HG GLN 9 1HG GLN 9 5.236 -7.967 -4.314 55 2HG GLN 9 2HG GLN 9 6.054 -8.853 -3.020 56 1HE2 GLN 9 1HE2 GLN 9 5.782 -10.269 -5.142 57 2HE2 GLN 9 2HE2 GLN 9 4.479 -11.411 -5.084 58 H CYS 10 H CYS 10 3.372 -6.131 -0.510 59 HA CYS 10 HA CYS 10 0.692 -6.533 -0.110 60 1HB CYS 10 1HB CYS 10 2.119 -6.451 1.749 61 2HB CYS 10 2HB CYS 10 2.713 -4.838 1.345 62 H LYS 11 H LYS 11 2.523 -3.490 -0.868 63 HA LYS 11 HA LYS 11 0.115 -1.949 -0.997 64 1HB LYS 11 1HB LYS 11 1.477 -0.130 -1.191 65 2HB LYS 11 2HB LYS 11 2.572 -1.253 -0.364 66 1HG LYS 11 1HG LYS 11 4.007 -0.744 -2.050 67 2HG LYS 11 2HG LYS 11 3.041 -1.877 -3.013 68 1HD LYS 11 1HD LYS 11 1.539 0.340 -3.340 69 2HD LYS 11 2HD LYS 11 3.100 1.128 -3.055 70 1HE LYS 11 1HE LYS 11 4.053 0.215 -4.984 71 2HE LYS 11 2HE LYS 11 2.951 -1.170 -5.014 72 1HZ LYS 11 1HZ LYS 11 1.201 0.268 -5.775 73 2HZ LYS 11 2HZ LYS 11 2.081 1.619 -5.546 74 3HZ LYS 11 3HZ LYS 11 2.532 0.540 -6.704 75 H LEU 12 H LEU 12 -0.520 -4.011 -2.556 76 HA LEU 12 HA LEU 12 0.345 -3.887 -5.206 77 1HB LEU 12 1HB LEU 12 -1.299 -5.425 -5.659 78 2HB LEU 12 2HB LEU 12 -0.899 -5.729 -3.960 79 HG LEU 12 HG LEU 12 -2.989 -3.972 -3.738 80 1HD1 LEU 12 1HD1 LEU 12 -3.567 -5.718 -6.149 81 2HD1 LEU 12 2HD1 LEU 12 -4.758 -4.731 -5.267 82 3HD1 LEU 12 3HD1 LEU 12 -3.416 -3.945 -6.132 83 1HD2 LEU 12 1HD2 LEU 12 -4.285 -5.846 -2.994 84 2HD2 LEU 12 2HD2 LEU 12 -3.282 -6.980 -3.931 85 3HD2 LEU 12 3HD2 LEU 12 -2.588 -6.122 -2.534 86 H LYS 13 H LYS 13 -1.343 -1.592 -3.367 87 HA LYS 13 HA LYS 13 -3.225 -0.679 -5.226 88 1HB LYS 13 1HB LYS 13 -2.903 1.498 -3.873 89 2HB LYS 13 2HB LYS 13 -3.556 0.066 -3.057 90 1HG LYS 13 1HG LYS 13 -0.665 0.015 -2.946 91 2HG LYS 13 2HG LYS 13 -1.236 1.590 -2.366 92 1HD LYS 13 1HD LYS 13 -1.012 -0.457 -0.708 93 2HD LYS 13 2HD LYS 13 -2.395 0.640 -0.564 94 1HE LYS 13 1HE LYS 13 -2.835 -1.556 -2.484 95 2HE LYS 13 2HE LYS 13 -2.528 -2.134 -0.838 96 1HZ LYS 13 1HZ LYS 13 -4.279 -0.045 -0.537 97 2HZ LYS 13 2HZ LYS 13 -4.837 -0.798 -1.869 98 3HZ LYS 13 3HZ LYS 13 -4.625 -1.652 -0.481 99 HA PRO 14 HA PRO 14 -0.835 1.521 -8.070 100 1HB PRO 14 1HB PRO 14 -2.379 3.694 -8.667 101 2HB PRO 14 2HB PRO 14 -2.672 2.089 -9.338 102 1HG PRO 14 1HG PRO 14 -4.085 3.533 -7.188 103 2HG PRO 14 2HG PRO 14 -4.663 2.145 -8.177 104 1HD PRO 14 1HD PRO 14 -3.756 2.140 -5.461 105 2HD PRO 14 2HD PRO 14 -4.164 0.724 -6.440 106 H ALA 15 H ALA 15 0.008 1.906 -5.416 107 HA ALA 15 HA ALA 15 1.333 3.236 -4.247 108 1HB ALA 15 1HB ALA 15 1.678 4.756 -6.863 109 2HB ALA 15 2HB ALA 15 2.778 4.788 -5.465 110 3HB ALA 15 3HB ALA 15 2.581 3.291 -6.407 111 H GLY 16 H GLY 16 0.697 4.641 -2.688 112 1HA GLY 16 1HA GLY 16 -1.003 6.913 -3.518 113 2HA GLY 16 2HA GLY 16 -1.422 5.892 -2.157 114 H THR 17 H THR 17 -0.291 6.063 -0.168 115 HA THR 17 HA THR 17 2.034 7.770 -0.027 116 HB THR 17 HB THR 17 -0.635 8.548 1.262 117 HG1 THR 17 1HG THR 17 -0.028 10.465 -0.197 118 1HG2 THR 17 1HG2 THR 17 2.008 10.083 1.220 119 2HG2 THR 17 2HG2 THR 17 0.527 10.499 2.116 120 3HG2 THR 17 3HG2 THR 17 1.502 9.094 2.611 121 H THR 18 H THR 18 3.153 7.617 1.992 122 HA THR 18 HA THR 18 2.801 5.044 3.183 123 HB THR 18 HB THR 18 4.724 7.366 3.314 124 HG1 THR 18 1HG THR 18 4.895 4.436 3.264 125 1HG2 THR 18 1HG2 THR 18 4.165 5.435 5.547 126 2HG2 THR 18 2HG2 THR 18 5.868 5.597 5.058 127 3HG2 THR 18 3HG2 THR 18 4.959 7.027 5.604 128 H CYS 19 H CYS 19 1.871 4.440 5.070 129 HA CYS 19 HA CYS 19 0.222 4.668 6.576 130 1HB CYS 19 1HB CYS 19 2.095 6.649 7.845 131 2HB CYS 19 2HB CYS 19 1.045 5.464 8.628 132 H TRP 20 H TRP 20 -0.831 6.041 4.579 133 HA TRP 20 HA TRP 20 -1.492 8.690 5.674 134 1HB TRP 20 1HB TRP 20 -0.229 8.534 3.462 135 2HB TRP 20 2HB TRP 20 -1.726 7.899 2.778 136 HD1 TRP 20 HD TRP 20 -3.121 9.795 1.667 137 HE1 TRP 20 1HE TRP 20 -3.550 12.382 1.961 138 HE3 TRP 20 3HE TRP 20 -0.100 10.368 5.717 139 HZ2 TRP 20 2HZ TRP 20 -2.598 14.334 3.812 140 HZ3 TRP 20 3HZ TRP 20 0.095 12.647 6.707 141 HH2 TRP 20 HH TRP 20 -1.092 14.590 5.820 142 H LYS 21 H LYS 21 -2.807 6.137 3.428 143 HA LYS 21 HA LYS 21 -4.753 5.080 3.407 144 1HB LYS 21 1HB LYS 21 -4.990 4.374 5.514 145 2HB LYS 21 2HB LYS 21 -4.614 5.956 6.220 146 1HG LYS 21 1HG LYS 21 -6.903 5.498 6.749 147 2HG LYS 21 2HG LYS 21 -6.942 6.707 5.454 148 1HD LYS 21 1HD LYS 21 -7.506 5.054 3.811 149 2HD LYS 21 2HD LYS 21 -7.124 3.714 4.909 150 1HE LYS 21 1HE LYS 21 -9.534 3.936 4.791 151 2HE LYS 21 2HE LYS 21 -9.029 4.497 6.392 152 1HZ LYS 21 1HZ LYS 21 -10.640 5.953 5.033 153 2HZ LYS 21 2HZ LYS 21 -9.399 6.711 5.765 154 3HZ LYS 21 3HZ LYS 21 -9.307 6.360 4.160 155 H THR 22 H THR 22 -6.399 5.628 2.069 156 HA THR 22 HA THR 22 -7.389 8.396 2.282 157 HB THR 22 HB THR 22 -7.700 8.171 -0.234 158 HG1 THR 22 1HG THR 22 -5.955 5.868 0.195 159 1HG2 THR 22 1HG2 THR 22 -5.652 9.234 -0.098 160 2HG2 THR 22 2HG2 THR 22 -5.061 8.125 1.163 161 3HG2 THR 22 3HG2 THR 22 -5.006 7.636 -0.548 162 H SER 23 H SER 23 -9.629 8.598 1.135 163 HA SER 23 HA SER 23 -11.284 6.763 2.547 164 1HB SER 23 1HB SER 23 -11.483 9.424 1.577 165 2HB SER 23 2HB SER 23 -12.754 8.507 0.748 166 HG SER 23 HG SER 23 -13.518 7.802 2.836 167 H LEU 24 H LEU 24 -9.624 6.487 -0.295 168 HA LEU 24 HA LEU 24 -11.816 5.079 -1.648 169 1HB LEU 24 1HB LEU 24 -11.139 6.664 -3.132 170 2HB LEU 24 2HB LEU 24 -9.445 6.610 -2.614 171 HG LEU 24 HG LEU 24 -9.440 4.249 -3.685 172 1HD1 LEU 24 1HD1 LEU 24 -11.240 4.794 -5.771 173 2HD1 LEU 24 2HD1 LEU 24 -11.354 3.518 -4.535 174 3HD1 LEU 24 3HD1 LEU 24 -12.138 5.092 -4.264 175 1HD2 LEU 24 1HD2 LEU 24 -9.267 5.453 -6.041 176 2HD2 LEU 24 2HD2 LEU 24 -9.331 6.914 -5.026 177 3HD2 LEU 24 3HD2 LEU 24 -8.053 5.703 -4.764 178 H THR 25 H THR 25 -8.345 4.921 -0.661 179 HA THR 25 HA THR 25 -8.630 2.103 -0.182 180 HB THR 25 HB THR 25 -6.885 3.176 -2.460 181 HG1 THR 25 1HG THR 25 -9.030 1.196 -2.126 182 1HG2 THR 25 1HG2 THR 25 -6.762 0.657 -0.838 183 2HG2 THR 25 2HG2 THR 25 -6.761 0.437 -2.604 184 3HG2 THR 25 3HG2 THR 25 -5.498 1.424 -1.829 185 H SER 26 H SER 26 -7.692 1.794 1.727 186 HA SER 26 HA SER 26 -6.239 3.653 3.030 187 1HB SER 26 1HB SER 26 -7.269 1.454 3.873 188 2HB SER 26 2HB SER 26 -5.755 0.672 3.385 189 HG SER 26 HG SER 26 -4.621 2.063 4.850 190 H HIS 27 H HIS 27 -4.642 4.633 1.651 191 HA HIS 27 HA HIS 27 -2.541 2.892 0.674 192 1HB HIS 27 1HB HIS 27 -3.122 5.833 0.266 193 2HB HIS 27 2HB HIS 27 -1.729 4.994 -0.427 194 HD1 HIS 27 1HD HIS 27 -4.400 6.347 -1.857 195 HD2 HIS 27 2HD HIS 27 -3.390 2.292 -1.492 196 HE1 HIS 27 1HE HIS 27 -5.642 5.129 -3.725 197 HE2 HIS 27 2HE HIS 27 -4.989 2.635 -3.453 198 H TYR 28 H TYR 28 -1.232 2.265 2.369 199 HA TYR 28 HA TYR 28 -0.254 4.419 4.112 200 1HB TYR 28 1HB TYR 28 -1.143 1.610 4.348 201 2HB TYR 28 2HB TYR 28 0.484 1.795 5.013 202 HD1 TYR 28 1HD TYR 28 -2.762 3.697 5.104 203 HD2 TYR 28 2HD TYR 28 0.558 2.130 7.298 204 HE1 TYR 28 1HE TYR 28 -3.758 4.591 7.265 205 HE2 TYR 28 2HE TYR 28 -0.449 3.027 9.452 206 HH TYR 28 HH TYR 28 -2.013 4.243 10.335 207 H CYS 29 H CYS 29 0.692 3.727 1.306 208 HA CYS 29 HA CYS 29 3.454 3.799 1.928 209 1HB CYS 29 1HB CYS 29 2.871 1.479 0.175 210 2HB CYS 29 2HB CYS 29 4.233 1.772 1.261 211 H THR 30 H THR 30 4.187 2.786 -0.802 212 HA THR 30 HA THR 30 2.575 4.285 -2.653 213 HB THR 30 HB THR 30 5.332 5.239 -1.737 214 HG1 THR 30 1HG THR 30 2.701 6.456 -2.200 215 1HG2 THR 30 1HG2 THR 30 3.763 6.606 -3.923 216 2HG2 THR 30 2HG2 THR 30 5.518 6.611 -3.626 217 3HG2 THR 30 3HG2 THR 30 4.747 5.195 -4.380 218 H GLY 31 H GLY 31 5.457 2.340 -1.852 219 1HA GLY 31 1HA GLY 31 5.383 0.281 -3.347 220 2HA GLY 31 2HA GLY 31 5.541 1.431 -4.660 221 H LYS 32 H LYS 32 7.274 -0.659 -2.730 222 HA LYS 32 HA LYS 32 9.409 -0.943 -2.250 223 1HB LYS 32 1HB LYS 32 10.049 -0.954 -4.429 224 2HB LYS 32 2HB LYS 32 9.486 0.697 -4.740 225 1HG LYS 32 1HG LYS 32 11.729 0.383 -2.788 226 2HG LYS 32 2HG LYS 32 12.115 0.032 -4.482 227 1HD LYS 32 1HD LYS 32 10.571 2.413 -4.500 228 2HD LYS 32 2HD LYS 32 11.727 2.604 -3.170 229 1HE LYS 32 1HE LYS 32 13.179 1.460 -5.326 230 2HE LYS 32 2HE LYS 32 12.180 2.731 -6.045 231 1HZ LYS 32 1HZ LYS 32 13.317 3.671 -3.640 232 2HZ LYS 32 2HZ LYS 32 14.513 3.055 -4.556 233 3HZ LYS 32 3HZ LYS 32 13.520 4.206 -5.180 234 H SER 33 H SER 33 10.414 -0.311 -0.421 235 HA SER 33 HA SER 33 11.519 1.027 0.944 236 1HB SER 33 1HB SER 33 11.346 2.721 -1.286 237 2HB SER 33 2HB SER 33 10.689 3.691 0.043 238 HG SER 33 HG SER 33 13.168 2.235 0.284 239 H CYS 34 H CYS 34 8.964 -0.037 1.414 240 HA CYS 34 HA CYS 34 7.998 1.857 3.343 241 1HB CYS 34 1HB CYS 34 5.767 0.788 1.769 242 2HB CYS 34 2HB CYS 34 5.989 2.379 2.501 243 H ASP 35 H ASP 35 6.293 0.712 4.769 244 HA ASP 35 HA ASP 35 6.122 -2.104 4.449 245 1HB ASP 35 1HB ASP 35 8.396 -1.688 5.536 246 2HB ASP 35 2HB ASP 35 7.532 -1.023 6.930 247 HD2 ASP 35 HD ASP 35 6.484 -4.178 8.010 248 H CYS 36 H CYS 36 4.319 0.214 4.613 249 HA CYS 36 HA CYS 36 3.168 -0.091 7.279 250 1HB CYS 36 1HB CYS 36 3.474 2.124 5.469 251 2HB CYS 36 2HB CYS 36 1.764 1.880 5.838 252 HA PRO 37 HA PRO 37 -0.058 -2.396 5.468 253 1HB PRO 37 1HB PRO 37 -2.012 -2.114 7.358 254 2HB PRO 37 2HB PRO 37 -0.684 -3.264 7.506 255 1HG PRO 37 1HG PRO 37 -1.094 -0.660 8.830 256 2HG PRO 37 2HG PRO 37 -0.022 -2.016 9.329 257 1HD PRO 37 1HD PRO 37 0.705 0.467 8.103 258 2HD PRO 37 2HD PRO 37 1.776 -0.902 8.430 259 H LEU 38 H LEU 38 -1.338 -2.102 3.756 260 HA LEU 38 HA LEU 38 -2.665 0.513 3.717 261 1HB LEU 38 1HB LEU 38 -2.156 -1.213 1.326 262 2HB LEU 38 2HB LEU 38 -2.468 0.529 1.399 263 HG LEU 38 HG LEU 38 -0.120 0.265 2.823 264 1HD1 LEU 38 1HD1 LEU 38 0.475 -1.908 2.378 265 2HD1 LEU 38 2HD1 LEU 38 -0.270 -1.904 0.762 266 3HD1 LEU 38 3HD1 LEU 38 1.273 -1.058 1.033 267 1HD2 LEU 38 1HD2 LEU 38 0.538 0.745 0.087 268 2HD2 LEU 38 2HD2 LEU 38 -1.049 1.477 0.425 269 3HD2 LEU 38 3HD2 LEU 38 0.360 1.910 1.420 270 H TYR 39 H TYR 39 -3.707 -1.705 5.255 271 HA TYR 39 HA TYR 39 -5.580 -3.216 3.856 272 1HB TYR 39 1HB TYR 39 -4.684 -3.364 6.280 273 2HB TYR 39 2HB TYR 39 -5.714 -1.986 6.680 274 HD1 TYR 39 1HD TYR 39 -8.183 -2.246 6.693 275 HD2 TYR 39 2HD TYR 39 -5.582 -5.577 6.025 276 HE1 TYR 39 1HE TYR 39 -10.096 -3.848 7.182 277 HE2 TYR 39 2HE TYR 39 -7.503 -7.166 6.516 278 HH TYR 39 HH TYR 39 -9.537 -7.290 7.464 279 HA PRO 40 HA PRO 40 -8.378 0.037 2.923 280 1HB PRO 40 1HB PRO 40 -9.947 -1.387 1.197 281 2HB PRO 40 2HB PRO 40 -8.487 -0.537 0.696 282 1HG PRO 40 1HG PRO 40 -8.944 -3.416 1.151 283 2HG PRO 40 2HG PRO 40 -7.640 -2.623 0.196 284 1HD PRO 40 1HD PRO 40 -7.470 -3.819 2.792 285 2HD PRO 40 2HD PRO 40 -6.198 -2.911 1.963 286 H GLY 41 H GLY 41 -9.983 -3.113 3.031 287 1HA GLY 41 1HA GLY 41 -11.558 -2.101 5.303 288 2HA GLY 41 2HA GLY 41 -12.375 -2.707 3.876 Start of MODEL 4 1 H CYS 1 H CYS 1 -3.256 -3.883 2.864 2 HA CYS 1 HA CYS 1 -3.596 -6.668 3.075 3 1HB CYS 1 1HB CYS 1 -3.127 -7.122 0.915 4 2HB CYS 1 2HB CYS 1 -2.194 -5.644 0.670 5 H THR 2 H THR 2 -1.647 -7.626 4.172 6 HA THR 2 HA THR 2 0.315 -5.655 5.069 7 HB THR 2 HB THR 2 -0.120 -6.320 7.443 8 HG1 THR 2 1HG THR 2 -2.373 -7.675 6.135 9 1HG2 THR 2 1HG2 THR 2 -2.052 -5.026 7.782 10 2HG2 THR 2 2HG2 THR 2 -1.614 -4.500 6.138 11 3HG2 THR 2 3HG2 THR 2 -2.885 -5.724 6.372 12 H THR 3 H THR 3 0.047 -8.170 3.272 13 HA THR 3 HA THR 3 1.169 -10.388 4.307 14 HB THR 3 HB THR 3 1.739 -8.927 1.679 15 HG1 THR 3 1HG THR 3 0.086 -11.200 2.529 16 1HG2 THR 3 1HG2 THR 3 1.843 -11.793 1.454 17 2HG2 THR 3 2HG2 THR 3 3.147 -10.631 1.111 18 3HG2 THR 3 3HG2 THR 3 2.979 -11.323 2.742 19 H GLY 4 H GLY 4 3.212 -7.723 2.927 20 1HA GLY 4 1HA GLY 4 5.180 -8.327 5.040 21 2HA GLY 4 2HA GLY 4 5.663 -8.275 3.356 22 HA PRO 5 HA PRO 5 6.260 -4.027 4.351 23 1HB PRO 5 1HB PRO 5 7.845 -3.423 2.209 24 2HB PRO 5 2HB PRO 5 8.475 -4.063 3.724 25 1HG PRO 5 1HG PRO 5 8.031 -5.405 1.135 26 2HG PRO 5 2HG PRO 5 9.097 -5.912 2.495 27 1HD PRO 5 1HD PRO 5 6.554 -6.986 1.731 28 2HD PRO 5 2HD PRO 5 7.489 -7.411 3.170 29 H CYS 6 H CYS 6 4.122 -5.339 2.514 30 HA CYS 6 HA CYS 6 2.455 -4.605 1.291 31 1HB CYS 6 1HB CYS 6 1.518 -2.539 1.698 32 2HB CYS 6 2HB CYS 6 2.419 -2.880 3.178 33 H CYS 7 H CYS 7 5.308 -2.371 1.001 34 HA CYS 7 HA CYS 7 4.911 -1.460 -1.518 35 1HB CYS 7 1HB CYS 7 7.177 -1.793 0.277 36 2HB CYS 7 2HB CYS 7 7.651 -1.887 -1.421 37 H ARG 8 H ARG 8 4.721 -2.457 -3.499 38 HA ARG 8 HA ARG 8 4.931 -3.893 -5.102 39 1HB ARG 8 1HB ARG 8 7.276 -4.032 -5.023 40 2HB ARG 8 2HB ARG 8 7.290 -4.777 -3.416 41 1HG ARG 8 1HG ARG 8 7.907 -6.359 -5.254 42 2HG ARG 8 2HG ARG 8 6.479 -6.894 -4.349 43 1HD ARG 8 1HD ARG 8 5.173 -5.556 -6.232 44 2HD ARG 8 2HD ARG 8 6.667 -5.775 -7.155 45 HE ARG 8 HE ARG 8 4.728 -7.844 -6.403 46 1HH1 ARG 8 2HH2 ARG 8 8.072 -7.230 -7.405 47 2HH1 ARG 8 1HH2 ARG 8 8.315 -8.832 -8.015 48 1HH2 ARG 8 2HH1 ARG 8 5.048 -9.924 -7.196 49 2HH2 ARG 8 1HH1 ARG 8 6.587 -10.379 -7.898 50 H GLN 9 H GLN 9 3.840 -4.552 -2.071 51 HA GLN 9 HA GLN 9 2.947 -7.205 -2.881 52 1HB GLN 9 1HB GLN 9 4.127 -6.297 -0.274 53 2HB GLN 9 2HB GLN 9 2.868 -7.544 -0.232 54 1HG GLN 9 1HG GLN 9 4.377 -8.602 -2.175 55 2HG GLN 9 2HG GLN 9 5.647 -7.647 -1.395 56 1HE2 GLN 9 1HE2 GLN 9 5.008 -10.588 -1.628 57 2HE2 GLN 9 2HE2 GLN 9 5.072 -11.209 -0.012 58 H CYS 10 H CYS 10 2.141 -5.483 0.155 59 HA CYS 10 HA CYS 10 -0.610 -5.712 -0.368 60 1HB CYS 10 1HB CYS 10 0.652 -3.888 1.668 61 2HB CYS 10 2HB CYS 10 -0.947 -4.635 1.714 62 H LYS 11 H LYS 11 1.902 -3.336 -1.083 63 HA LYS 11 HA LYS 11 0.037 -1.194 -1.532 64 1HB LYS 11 1HB LYS 11 1.839 0.137 -1.595 65 2HB LYS 11 2HB LYS 11 2.639 -1.241 -0.817 66 1HG LYS 11 1HG LYS 11 4.113 -0.971 -2.548 67 2HG LYS 11 2HG LYS 11 2.932 -1.952 -3.431 68 1HD LYS 11 1HD LYS 11 1.816 0.426 -3.885 69 2HD LYS 11 2HD LYS 11 3.458 1.016 -3.567 70 1HE LYS 11 1HE LYS 11 4.259 -0.708 -5.285 71 2HE LYS 11 2HE LYS 11 2.558 -0.961 -5.709 72 1HZ LYS 11 1HZ LYS 11 3.260 0.705 -7.167 73 2HZ LYS 11 2HZ LYS 11 2.569 1.598 -5.993 74 3HZ LYS 11 3HZ LYS 11 4.204 1.426 -6.030 75 H LEU 12 H LEU 12 -0.656 -3.589 -2.941 76 HA LEU 12 HA LEU 12 0.306 -3.687 -5.535 77 1HB LEU 12 1HB LEU 12 -1.811 -4.840 -6.033 78 2HB LEU 12 2HB LEU 12 -0.941 -5.485 -4.629 79 HG LEU 12 HG LEU 12 -2.869 -3.498 -3.800 80 1HD1 LEU 12 1HD1 LEU 12 -4.212 -3.918 -5.678 81 2HD1 LEU 12 2HD1 LEU 12 -3.875 -5.666 -5.643 82 3HD1 LEU 12 3HD1 LEU 12 -4.900 -4.931 -4.387 83 1HD2 LEU 12 1HD2 LEU 12 -3.739 -5.841 -2.755 84 2HD2 LEU 12 2HD2 LEU 12 -2.056 -6.265 -3.147 85 3HD2 LEU 12 3HD2 LEU 12 -2.401 -4.878 -2.085 86 H LYS 13 H LYS 13 -1.095 -1.068 -4.008 87 HA LYS 13 HA LYS 13 -2.584 -0.176 -6.338 88 1HB LYS 13 1HB LYS 13 -3.395 1.570 -4.958 89 2HB LYS 13 2HB LYS 13 -3.468 0.080 -4.001 90 1HG LYS 13 1HG LYS 13 -1.066 1.922 -3.869 91 2HG LYS 13 2HG LYS 13 -2.505 2.246 -2.889 92 1HD LYS 13 1HD LYS 13 -0.540 -0.030 -2.742 93 2HD LYS 13 2HD LYS 13 -1.220 0.941 -1.424 94 1HE LYS 13 1HE LYS 13 -2.643 -1.209 -3.051 95 2HE LYS 13 2HE LYS 13 -2.169 -1.322 -1.351 96 1HZ LYS 13 1HZ LYS 13 -4.025 0.771 -2.322 97 2HZ LYS 13 2HZ LYS 13 -4.566 -0.684 -1.828 98 3HZ LYS 13 3HZ LYS 13 -3.731 0.274 -0.783 99 HA PRO 14 HA PRO 14 0.609 2.313 -7.826 100 1HB PRO 14 1HB PRO 14 -0.736 4.402 -8.961 101 2HB PRO 14 2HB PRO 14 -0.561 2.831 -9.741 102 1HG PRO 14 1HG PRO 14 -2.883 4.016 -8.360 103 2HG PRO 14 2HG PRO 14 -2.853 2.659 -9.544 104 1HD PRO 14 1HD PRO 14 -3.186 2.534 -6.703 105 2HD PRO 14 2HD PRO 14 -3.002 1.164 -7.805 106 H ALA 15 H ALA 15 0.717 2.520 -5.206 107 HA ALA 15 HA ALA 15 1.452 3.848 -3.596 108 1HB ALA 15 1HB ALA 15 2.496 6.014 -4.218 109 2HB ALA 15 2HB ALA 15 3.020 4.692 -5.287 110 3HB ALA 15 3HB ALA 15 1.807 5.865 -5.852 111 H GLY 16 H GLY 16 0.993 6.183 -2.531 112 1HA GLY 16 1HA GLY 16 -1.122 7.766 -3.054 113 2HA GLY 16 2HA GLY 16 -1.893 6.344 -2.379 114 H THR 17 H THR 17 1.322 7.830 -1.590 115 HA THR 17 HA THR 17 2.014 8.899 0.262 116 HB THR 17 HB THR 17 -0.712 8.526 1.563 117 HG1 THR 17 1HG THR 17 -1.190 10.534 0.285 118 1HG2 THR 17 1HG2 THR 17 0.283 9.985 3.025 119 2HG2 THR 17 2HG2 THR 17 1.672 10.226 1.938 120 3HG2 THR 17 3HG2 THR 17 0.192 11.190 1.720 121 H THR 18 H THR 18 2.198 8.399 2.790 122 HA THR 18 HA THR 18 2.317 5.461 3.001 123 HB THR 18 HB THR 18 4.468 7.194 2.793 124 HG1 THR 18 1HG THR 18 5.449 5.218 3.276 125 1HG2 THR 18 1HG2 THR 18 3.810 8.087 5.148 126 2HG2 THR 18 2HG2 THR 18 4.216 6.462 5.746 127 3HG2 THR 18 3HG2 THR 18 5.467 7.462 4.971 128 H CYS 19 H CYS 19 1.835 4.507 5.001 129 HA CYS 19 HA CYS 19 0.368 4.340 6.675 130 1HB CYS 19 1HB CYS 19 2.564 6.146 7.492 131 2HB CYS 19 2HB CYS 19 1.181 6.057 8.587 132 H TRP 20 H TRP 20 -1.214 5.463 4.972 133 HA TRP 20 HA TRP 20 -2.328 7.816 6.332 134 1HB TRP 20 1HB TRP 20 -1.061 8.233 4.113 135 2HB TRP 20 2HB TRP 20 -2.472 7.498 3.350 136 HD1 TRP 20 HD TRP 20 -1.450 10.649 5.329 137 HE1 TRP 20 1HE TRP 20 -3.256 12.557 5.084 138 HE3 TRP 20 3HE TRP 20 -4.892 7.802 2.900 139 HZ2 TRP 20 2HZ TRP 20 -5.862 12.662 3.926 140 HZ3 TRP 20 3HZ TRP 20 -7.041 8.885 2.247 141 HH2 TRP 20 HH TRP 20 -7.552 11.227 2.723 142 H LYS 21 H LYS 21 -3.017 5.390 3.699 143 HA LYS 21 HA LYS 21 -4.678 3.951 3.443 144 1HB LYS 21 1HB LYS 21 -4.712 4.386 6.347 145 2HB LYS 21 2HB LYS 21 -6.259 3.834 5.679 146 1HG LYS 21 1HG LYS 21 -5.290 1.854 4.797 147 2HG LYS 21 2HG LYS 21 -3.639 2.488 4.927 148 1HD LYS 21 1HD LYS 21 -3.784 0.996 6.736 149 2HD LYS 21 2HD LYS 21 -4.127 2.556 7.505 150 1HE LYS 21 1HE LYS 21 -6.528 1.229 6.414 151 2HE LYS 21 2HE LYS 21 -5.719 0.269 7.663 152 1HZ LYS 21 1HZ LYS 21 -7.144 1.686 8.842 153 2HZ LYS 21 2HZ LYS 21 -5.726 2.480 8.960 154 3HZ LYS 21 3HZ LYS 21 -6.836 2.961 7.848 155 H THR 22 H THR 22 -6.326 4.393 2.083 156 HA THR 22 HA THR 22 -7.764 6.906 2.513 157 HB THR 22 HB THR 22 -8.445 6.388 0.069 158 HG1 THR 22 1HG THR 22 -7.737 4.032 0.619 159 1HG2 THR 22 1HG2 THR 22 -5.444 6.487 0.682 160 2HG2 THR 22 2HG2 THR 22 -6.196 6.886 -0.881 161 3HG2 THR 22 3HG2 THR 22 -6.504 7.909 0.542 162 H SER 23 H SER 23 -10.153 6.783 1.633 163 HA SER 23 HA SER 23 -11.343 4.696 3.242 164 1HB SER 23 1HB SER 23 -11.978 7.460 2.581 165 2HB SER 23 2HB SER 23 -13.374 6.410 2.277 166 HG SER 23 HG SER 23 -11.983 5.982 4.706 167 H LEU 24 H LEU 24 -10.198 4.656 0.279 168 HA LEU 24 HA LEU 24 -12.621 3.493 -0.912 169 1HB LEU 24 1HB LEU 24 -11.168 3.930 -3.060 170 2HB LEU 24 2HB LEU 24 -12.240 5.162 -2.373 171 HG LEU 24 HG LEU 24 -9.430 5.156 -1.411 172 1HD1 LEU 24 1HD1 LEU 24 -8.831 6.562 -3.496 173 2HD1 LEU 24 2HD1 LEU 24 -8.797 4.787 -3.615 174 3HD1 LEU 24 3HD1 LEU 24 -10.178 5.696 -4.275 175 1HD2 LEU 24 1HD2 LEU 24 -11.040 6.807 -0.617 176 2HD2 LEU 24 2HD2 LEU 24 -9.734 7.584 -1.541 177 3HD2 LEU 24 3HD2 LEU 24 -11.334 7.347 -2.287 178 H THR 25 H THR 25 -9.016 3.274 -0.640 179 HA THR 25 HA THR 25 -9.328 0.363 -0.982 180 HB THR 25 HB THR 25 -7.646 2.370 -2.414 181 HG1 THR 25 1HG THR 25 -8.390 0.951 -3.958 182 1HG2 THR 25 1HG2 THR 25 -6.467 -0.019 -1.028 183 2HG2 THR 25 2HG2 THR 25 -6.088 0.146 -2.759 184 3HG2 THR 25 3HG2 THR 25 -5.662 1.451 -1.626 185 H SER 26 H SER 26 -6.440 2.350 -0.196 186 HA SER 26 HA SER 26 -6.343 2.488 2.375 187 1HB SER 26 1HB SER 26 -5.186 0.122 2.951 188 2HB SER 26 2HB SER 26 -6.924 0.403 3.155 189 HG SER 26 HG SER 26 -7.341 -0.982 1.567 190 H HIS 27 H HIS 27 -4.714 3.965 1.718 191 HA HIS 27 HA HIS 27 -2.391 2.897 0.377 192 1HB HIS 27 1HB HIS 27 -3.103 5.706 1.249 193 2HB HIS 27 2HB HIS 27 -1.672 5.265 0.309 194 HD1 HIS 27 1HD HIS 27 -3.702 3.093 -1.314 195 HD2 HIS 27 2HD HIS 27 -3.873 7.276 -1.054 196 HE1 HIS 27 1HE HIS 27 -5.031 3.883 -3.343 197 HE2 HIS 27 2HE HIS 27 -5.108 6.467 -3.137 198 H TYR 28 H TYR 28 -0.163 3.658 1.261 199 HA TYR 28 HA TYR 28 0.342 4.370 3.822 200 1HB TYR 28 1HB TYR 28 -0.932 1.771 3.599 201 2HB TYR 28 2HB TYR 28 0.746 1.478 4.063 202 HD1 TYR 28 1HD TYR 28 1.160 1.317 6.335 203 HD2 TYR 28 2HD TYR 28 -2.059 3.800 5.003 204 HE1 TYR 28 1HE TYR 28 0.559 1.846 8.748 205 HE2 TYR 28 2HE TYR 28 -2.648 4.322 7.421 206 HH TYR 28 HH TYR 28 -1.813 2.587 9.891 207 H CYS 29 H CYS 29 1.334 4.132 0.960 208 HA CYS 29 HA CYS 29 4.020 4.132 1.479 209 1HB CYS 29 1HB CYS 29 4.265 1.834 -0.010 210 2HB CYS 29 2HB CYS 29 4.606 2.011 1.714 211 H THR 30 H THR 30 5.031 3.160 -1.020 212 HA THR 30 HA THR 30 3.321 4.543 -2.976 213 HB THR 30 HB THR 30 6.284 4.902 -2.339 214 HG1 THR 30 1HG THR 30 5.334 7.169 -2.485 215 1HG2 THR 30 1HG2 THR 30 6.481 6.269 -4.353 216 2HG2 THR 30 2HG2 THR 30 5.903 4.665 -4.866 217 3HG2 THR 30 3HG2 THR 30 4.762 6.027 -4.744 218 H GLY 31 H GLY 31 5.909 2.136 -2.322 219 1HA GLY 31 1HA GLY 31 5.321 -0.031 -3.444 220 2HA GLY 31 2HA GLY 31 5.256 0.901 -4.927 221 H LYS 32 H LYS 32 7.257 -0.941 -2.855 222 HA LYS 32 HA LYS 32 9.356 -1.373 -4.238 223 1HB LYS 32 1HB LYS 32 9.421 1.543 -3.678 224 2HB LYS 32 2HB LYS 32 10.959 0.668 -3.558 225 1HG LYS 32 1HG LYS 32 11.047 0.271 -5.806 226 2HG LYS 32 2HG LYS 32 9.299 0.004 -5.944 227 1HD LYS 32 1HD LYS 32 9.148 2.055 -6.861 228 2HD LYS 32 2HD LYS 32 9.582 2.741 -5.286 229 1HE LYS 32 1HE LYS 32 11.119 3.632 -6.918 230 2HE LYS 32 2HE LYS 32 12.026 2.462 -5.945 231 1HZ LYS 32 1HZ LYS 32 10.857 1.955 -8.630 232 2HZ LYS 32 2HZ LYS 32 12.443 2.116 -8.300 233 3HZ LYS 32 3HZ LYS 32 11.608 0.842 -7.680 234 H SER 33 H SER 33 10.419 0.763 -1.650 235 HA SER 33 HA SER 33 10.448 -1.553 0.120 236 1HB SER 33 1HB SER 33 12.649 -0.701 0.984 237 2HB SER 33 2HB SER 33 12.712 -1.261 -0.696 238 HG SER 33 HG SER 33 13.772 0.876 -0.122 239 H CYS 34 H CYS 34 8.342 -0.426 0.791 240 HA CYS 34 HA CYS 34 8.805 2.021 2.281 241 1HB CYS 34 1HB CYS 34 6.313 1.949 2.580 242 2HB CYS 34 2HB CYS 34 6.898 2.175 0.930 243 H ASP 35 H ASP 35 7.024 1.806 4.388 244 HA ASP 35 HA ASP 35 7.541 -0.711 5.683 245 1HB ASP 35 1HB ASP 35 9.366 1.189 6.137 246 2HB ASP 35 2HB ASP 35 8.140 1.789 7.263 247 HD2 ASP 35 HD ASP 35 10.331 -1.420 8.016 248 H CYS 36 H CYS 36 5.156 0.618 4.604 249 HA CYS 36 HA CYS 36 3.683 0.915 7.098 250 1HB CYS 36 1HB CYS 36 3.973 2.956 4.969 251 2HB CYS 36 2HB CYS 36 2.348 2.713 5.613 252 HA PRO 37 HA PRO 37 1.451 -1.953 4.580 253 1HB PRO 37 1HB PRO 37 -0.098 -2.995 6.575 254 2HB PRO 37 2HB PRO 37 1.511 -3.601 6.187 255 1HG PRO 37 1HG PRO 37 0.619 -1.883 8.413 256 2HG PRO 37 2HG PRO 37 2.116 -2.874 8.290 257 1HD PRO 37 1HD PRO 37 1.834 -0.037 8.028 258 2HD PRO 37 2HD PRO 37 3.301 -0.981 7.743 259 H LEU 38 H LEU 38 -0.160 -1.572 3.198 260 HA LEU 38 HA LEU 38 -2.037 0.464 4.088 261 1HB LEU 38 1HB LEU 38 -2.373 -0.515 1.389 262 2HB LEU 38 2HB LEU 38 -2.082 1.132 1.982 263 HG LEU 38 HG LEU 38 0.398 0.098 2.243 264 1HD1 LEU 38 1HD1 LEU 38 -0.227 -2.101 1.376 265 2HD1 LEU 38 2HD1 LEU 38 -0.784 -1.355 -0.141 266 3HD1 LEU 38 3HD1 LEU 38 0.939 -1.290 0.303 267 1HD2 LEU 38 1HD2 LEU 38 0.553 1.988 1.063 268 2HD2 LEU 38 2HD2 LEU 38 0.460 0.942 -0.374 269 3HD2 LEU 38 3HD2 LEU 38 -1.011 1.723 0.255 270 H TYR 39 H TYR 39 -3.796 -0.232 5.179 271 HA TYR 39 HA TYR 39 -5.757 -1.279 5.455 272 1HB TYR 39 1HB TYR 39 -5.164 -1.741 2.781 273 2HB TYR 39 2HB TYR 39 -5.152 -3.399 3.392 274 HD1 TYR 39 1HD TYR 39 -7.356 -0.725 4.708 275 HD2 TYR 39 2HD TYR 39 -7.077 -4.161 2.174 276 HE1 TYR 39 1HE TYR 39 -9.889 -0.801 4.520 277 HE2 TYR 39 2HE TYR 39 -9.611 -4.225 1.994 278 HH TYR 39 HH TYR 39 -11.467 -3.052 2.328 279 HA PRO 40 HA PRO 40 -4.323 -4.533 7.937 280 1HB PRO 40 1HB PRO 40 -6.677 -5.259 9.118 281 2HB PRO 40 2HB PRO 40 -5.699 -3.902 9.673 282 1HG PRO 40 1HG PRO 40 -8.193 -3.925 8.097 283 2HG PRO 40 2HG PRO 40 -7.483 -2.575 9.053 284 1HD PRO 40 1HD PRO 40 -7.509 -2.925 6.211 285 2HD PRO 40 2HD PRO 40 -6.657 -1.662 7.110 286 H GLY 41 H GLY 41 -4.567 -6.886 8.457 287 1HA GLY 41 1HA GLY 41 -6.018 -8.283 6.324 288 2HA GLY 41 2HA GLY 41 -4.284 -8.515 6.442 Start of MODEL 5 1 H CYS 1 H CYS 1 -2.439 -3.386 6.028 2 HA CYS 1 HA CYS 1 -0.824 -3.665 4.519 3 1HB CYS 1 1HB CYS 1 0.329 -5.028 6.536 4 2HB CYS 1 2HB CYS 1 0.097 -6.343 5.381 5 H THR 2 H THR 2 -0.130 -6.122 3.138 6 HA THR 2 HA THR 2 -2.680 -7.428 2.607 7 HB THR 2 HB THR 2 -1.378 -5.371 0.901 8 HG1 THR 2 1HG THR 2 -3.635 -5.510 1.761 9 1HG2 THR 2 1HG2 THR 2 -1.789 -6.459 -1.214 10 2HG2 THR 2 2HG2 THR 2 -0.805 -7.613 -0.281 11 3HG2 THR 2 3HG2 THR 2 -2.563 -7.853 -0.423 12 H THR 3 H THR 3 0.817 -7.116 1.736 13 HA THR 3 HA THR 3 0.865 -10.062 1.629 14 HB THR 3 HB THR 3 2.131 -7.912 -0.111 15 HG1 THR 3 1HG THR 3 0.048 -9.387 -0.343 16 1HG2 THR 3 1HG2 THR 3 4.086 -9.200 0.112 17 2HG2 THR 3 2HG2 THR 3 3.185 -10.667 0.562 18 3HG2 THR 3 3HG2 THR 3 3.233 -10.139 -1.137 19 H GLY 4 H GLY 4 3.620 -7.792 1.521 20 1HA GLY 4 1HA GLY 4 4.365 -8.724 4.227 21 2HA GLY 4 2HA GLY 4 5.500 -8.719 2.893 22 HA PRO 5 HA PRO 5 6.415 -4.625 4.038 23 1HB PRO 5 1HB PRO 5 8.023 -3.932 1.943 24 2HB PRO 5 2HB PRO 5 8.596 -4.846 3.337 25 1HG PRO 5 1HG PRO 5 7.942 -5.758 0.609 26 2HG PRO 5 2HG PRO 5 8.960 -6.572 1.849 27 1HD PRO 5 1HD PRO 5 6.288 -7.213 1.039 28 2HD PRO 5 2HD PRO 5 7.190 -7.942 2.375 29 H CYS 6 H CYS 6 4.565 -5.483 1.397 30 HA CYS 6 HA CYS 6 2.927 -4.402 0.395 31 1HB CYS 6 1HB CYS 6 1.897 -2.621 1.318 32 2HB CYS 6 2HB CYS 6 2.864 -3.139 2.702 33 H CYS 7 H CYS 7 5.715 -2.135 1.004 34 HA CYS 7 HA CYS 7 5.574 -0.745 -1.343 35 1HB CYS 7 1HB CYS 7 7.267 -0.852 0.833 36 2HB CYS 7 2HB CYS 7 8.321 -1.288 -0.515 37 H ARG 8 H ARG 8 4.779 -2.713 -2.693 38 HA ARG 8 HA ARG 8 5.994 -3.308 -4.757 39 1HB ARG 8 1HB ARG 8 7.633 -4.675 -2.617 40 2HB ARG 8 2HB ARG 8 7.529 -5.423 -4.221 41 1HG ARG 8 1HG ARG 8 8.101 -2.501 -4.186 42 2HG ARG 8 2HG ARG 8 9.384 -3.528 -3.519 43 1HD ARG 8 1HD ARG 8 10.027 -4.061 -5.613 44 2HD ARG 8 2HD ARG 8 8.434 -4.762 -5.940 45 HE ARG 8 HE ARG 8 8.446 -1.851 -6.119 46 1HH1 ARG 8 2HH2 ARG 8 9.162 -4.820 -7.914 47 2HH1 ARG 8 1HH2 ARG 8 8.956 -4.080 -9.466 48 1HH2 ARG 8 2HH1 ARG 8 8.179 -0.892 -8.136 49 2HH2 ARG 8 1HH1 ARG 8 8.393 -1.832 -9.598 50 H GLN 9 H GLN 9 4.457 -4.605 -1.925 51 HA GLN 9 HA GLN 9 3.070 -6.499 -3.624 52 1HB GLN 9 1HB GLN 9 4.312 -7.133 -0.925 53 2HB GLN 9 2HB GLN 9 3.110 -8.173 -1.709 54 1HG GLN 9 1HG GLN 9 5.342 -7.398 -3.479 55 2HG GLN 9 2HG GLN 9 5.870 -8.318 -2.063 56 1HE2 GLN 9 1HE2 GLN 9 2.762 -8.467 -3.736 57 2HE2 GLN 9 2HE2 GLN 9 2.878 -10.104 -4.297 58 H CYS 10 H CYS 10 2.924 -6.150 -0.047 59 HA CYS 10 HA CYS 10 0.273 -6.055 0.217 60 1HB CYS 10 1HB CYS 10 1.296 -6.114 2.223 61 2HB CYS 10 2HB CYS 10 2.524 -4.924 1.780 62 H LYS 11 H LYS 11 2.405 -3.575 -1.121 63 HA LYS 11 HA LYS 11 0.258 -1.605 -1.071 64 1HB LYS 11 1HB LYS 11 1.842 -0.017 -1.195 65 2HB LYS 11 2HB LYS 11 2.880 -1.302 -0.552 66 1HG LYS 11 1HG LYS 11 4.184 -0.856 -2.357 67 2HG LYS 11 2HG LYS 11 2.991 -1.795 -3.271 68 1HD LYS 11 1HD LYS 11 1.732 0.555 -3.360 69 2HD LYS 11 2HD LYS 11 3.363 1.194 -3.092 70 1HE LYS 11 1HE LYS 11 2.194 -0.154 -5.471 71 2HE LYS 11 2HE LYS 11 3.475 1.065 -5.388 72 1HZ LYS 11 1HZ LYS 11 4.245 -1.182 -6.100 73 2HZ LYS 11 2HZ LYS 11 5.029 -0.653 -4.774 74 3HZ LYS 11 3HZ LYS 11 3.813 -1.750 -4.617 75 H LEU 12 H LEU 12 -0.035 -4.075 -2.628 76 HA LEU 12 HA LEU 12 0.639 -4.000 -5.225 77 1HB LEU 12 1HB LEU 12 -1.241 -5.327 -5.672 78 2HB LEU 12 2HB LEU 12 -0.707 -5.717 -4.027 79 HG LEU 12 HG LEU 12 -2.550 -4.040 -3.294 80 1HD1 LEU 12 1HD1 LEU 12 -4.479 -4.398 -5.143 81 2HD1 LEU 12 2HD1 LEU 12 -3.433 -2.959 -5.067 82 3HD1 LEU 12 3HD1 LEU 12 -3.055 -4.276 -6.203 83 1HD2 LEU 12 1HD2 LEU 12 -3.699 -5.855 -2.685 84 2HD2 LEU 12 2HD2 LEU 12 -3.972 -6.359 -4.370 85 3HD2 LEU 12 3HD2 LEU 12 -2.450 -6.783 -3.550 86 H LYS 13 H LYS 13 -1.610 -1.835 -3.526 87 HA LYS 13 HA LYS 13 -2.983 -0.789 -5.665 88 1HB LYS 13 1HB LYS 13 -3.208 1.238 -4.237 89 2HB LYS 13 2HB LYS 13 -3.618 -0.278 -3.416 90 1HG LYS 13 1HG LYS 13 -0.782 0.676 -3.239 91 2HG LYS 13 2HG LYS 13 -1.993 1.586 -2.318 92 1HD LYS 13 1HD LYS 13 -0.938 -1.164 -1.919 93 2HD LYS 13 2HD LYS 13 -1.553 -0.011 -0.722 94 1HE LYS 13 1HE LYS 13 -3.229 -1.706 -2.626 95 2HE LYS 13 2HE LYS 13 -3.024 -2.003 -0.893 96 1HZ LYS 13 1HZ LYS 13 -3.938 0.660 -1.547 97 2HZ LYS 13 2HZ LYS 13 -4.996 -0.506 -1.961 98 3HZ LYS 13 3HZ LYS 13 -4.457 -0.410 -0.411 99 HA PRO 14 HA PRO 14 -0.158 1.606 -7.879 100 1HB PRO 14 1HB PRO 14 -1.599 3.802 -8.627 101 2HB PRO 14 2HB PRO 14 -1.737 2.241 -9.430 102 1HG PRO 14 1HG PRO 14 -3.546 3.546 -7.499 103 2HG PRO 14 2HG PRO 14 -3.909 2.216 -8.657 104 1HD PRO 14 1HD PRO 14 -3.519 2.051 -5.825 105 2HD PRO 14 2HD PRO 14 -3.717 0.696 -6.943 106 H ALA 15 H ALA 15 -0.628 2.197 -4.866 107 HA ALA 15 HA ALA 15 0.489 3.426 -3.393 108 1HB ALA 15 1HB ALA 15 1.878 4.838 -5.696 109 2HB ALA 15 2HB ALA 15 2.453 4.641 -4.024 110 3HB ALA 15 3HB ALA 15 2.369 3.232 -5.109 111 H GLY 16 H GLY 16 -0.070 5.282 -2.241 112 1HA GLY 16 1HA GLY 16 -1.498 7.373 -3.764 113 2HA GLY 16 2HA GLY 16 -2.186 6.655 -2.322 114 H THR 17 H THR 17 -0.370 6.523 -0.405 115 HA THR 17 HA THR 17 1.408 8.770 -0.370 116 HB THR 17 HB THR 17 -1.127 8.794 1.354 117 HG1 THR 17 1HG THR 17 -1.528 10.651 -0.055 118 1HG2 THR 17 1HG2 THR 17 -0.311 11.110 1.932 119 2HG2 THR 17 2HG2 THR 17 0.777 9.844 2.548 120 3HG2 THR 17 3HG2 THR 17 1.211 10.755 1.082 121 H THR 18 H THR 18 2.730 8.835 1.581 122 HA THR 18 HA THR 18 3.247 6.172 2.493 123 HB THR 18 HB THR 18 4.446 8.942 2.828 124 HG1 THR 18 1HG THR 18 4.887 7.461 0.997 125 1HG2 THR 18 1HG2 THR 18 6.294 7.256 3.983 126 2HG2 THR 18 2HG2 THR 18 5.192 8.289 4.923 127 3HG2 THR 18 3HG2 THR 18 4.784 6.581 4.637 128 H CYS 19 H CYS 19 2.371 5.129 4.160 129 HA CYS 19 HA CYS 19 0.898 4.831 5.812 130 1HB CYS 19 1HB CYS 19 3.210 6.373 6.806 131 2HB CYS 19 2HB CYS 19 1.829 6.285 7.902 132 H TRP 20 H TRP 20 -0.613 6.259 4.266 133 HA TRP 20 HA TRP 20 -1.458 8.616 5.811 134 1HB TRP 20 1HB TRP 20 -0.594 8.625 3.254 135 2HB TRP 20 2HB TRP 20 -2.319 8.353 2.998 136 HD1 TRP 20 HD TRP 20 -3.567 10.615 2.675 137 HE1 TRP 20 1HE TRP 20 -3.384 13.120 3.485 138 HE3 TRP 20 3HE TRP 20 0.519 9.916 5.621 139 HZ2 TRP 20 2HZ TRP 20 -1.591 14.497 5.227 140 HZ3 TRP 20 3HZ TRP 20 1.423 11.893 6.840 141 HH2 TRP 20 HH TRP 20 0.435 14.124 6.681 142 H LYS 21 H LYS 21 -2.682 6.098 3.475 143 HA LYS 21 HA LYS 21 -4.338 4.608 3.801 144 1HB LYS 21 1HB LYS 21 -3.997 5.421 6.396 145 2HB LYS 21 2HB LYS 21 -5.689 5.857 6.096 146 1HG LYS 21 1HG LYS 21 -4.574 3.147 5.314 147 2HG LYS 21 2HG LYS 21 -5.165 3.450 6.957 148 1HD LYS 21 1HD LYS 21 -6.894 4.188 4.598 149 2HD LYS 21 2HD LYS 21 -6.788 2.485 5.080 150 1HE LYS 21 1HE LYS 21 -7.337 4.606 7.161 151 2HE LYS 21 2HE LYS 21 -8.657 4.060 6.117 152 1HZ LYS 21 1HZ LYS 21 -8.353 2.788 8.257 153 2HZ LYS 21 2HZ LYS 21 -8.380 1.849 6.927 154 3HZ LYS 21 3HZ LYS 21 -6.941 2.225 7.631 155 H THR 22 H THR 22 -6.016 4.680 2.398 156 HA THR 22 HA THR 22 -7.038 7.276 1.662 157 HB THR 22 HB THR 22 -7.922 6.069 -0.231 158 HG1 THR 22 1HG THR 22 -8.919 4.224 0.511 159 1HG2 THR 22 1HG2 THR 22 -5.584 4.282 0.565 160 2HG2 THR 22 2HG2 THR 22 -6.077 4.784 -1.069 161 3HG2 THR 22 3HG2 THR 22 -5.320 5.960 0.032 162 H SER 23 H SER 23 -7.603 5.912 4.394 163 HA SER 23 HA SER 23 -9.251 6.016 5.810 164 1HB SER 23 1HB SER 23 -10.067 7.861 3.827 165 2HB SER 23 2HB SER 23 -11.507 6.894 4.191 166 HG SER 23 HG SER 23 -11.432 8.660 5.630 167 H LEU 24 H LEU 24 -9.044 4.056 3.183 168 HA LEU 24 HA LEU 24 -10.934 2.199 4.265 169 1HB LEU 24 1HB LEU 24 -11.815 1.990 1.750 170 2HB LEU 24 2HB LEU 24 -12.640 2.913 3.019 171 HG LEU 24 HG LEU 24 -10.636 4.453 1.515 172 1HD1 LEU 24 1HD1 LEU 24 -11.353 4.258 -0.596 173 2HD1 LEU 24 2HD1 LEU 24 -12.024 2.698 -0.065 174 3HD1 LEU 24 3HD1 LEU 24 -13.062 4.144 -0.112 175 1HD2 LEU 24 1HD2 LEU 24 -12.291 5.350 3.171 176 2HD2 LEU 24 2HD2 LEU 24 -12.299 6.161 1.586 177 3HD2 LEU 24 3HD2 LEU 24 -13.575 4.989 1.991 178 H THR 25 H THR 25 -9.662 2.511 0.904 179 HA THR 25 HA THR 25 -8.667 -0.040 0.754 180 HB THR 25 HB THR 25 -8.176 2.600 -0.627 181 HG1 THR 25 1HG THR 25 -9.945 0.974 -1.018 182 1HG2 THR 25 1HG2 THR 25 -6.484 0.080 -0.900 183 2HG2 THR 25 2HG2 THR 25 -6.785 1.137 -2.300 184 3HG2 THR 25 3HG2 THR 25 -5.939 1.773 -0.870 185 H SER 26 H SER 26 -7.000 2.924 1.948 186 HA SER 26 HA SER 26 -5.427 3.020 3.499 187 1HB SER 26 1HB SER 26 -4.803 0.070 3.178 188 2HB SER 26 2HB SER 26 -4.433 1.113 4.564 189 HG SER 26 HG SER 26 -6.240 -0.153 5.101 190 H HIS 27 H HIS 27 -4.251 4.316 1.986 191 HA HIS 27 HA HIS 27 -2.549 2.939 0.102 192 1HB HIS 27 1HB HIS 27 -3.457 5.746 0.549 193 2HB HIS 27 2HB HIS 27 -1.931 5.494 -0.307 194 HD1 HIS 27 1HD HIS 27 -4.282 6.757 -1.809 195 HD2 HIS 27 2HD HIS 27 -3.551 2.628 -1.711 196 HE1 HIS 27 1HE HIS 27 -5.431 5.779 -3.866 197 HE2 HIS 27 2HE HIS 27 -4.955 3.233 -3.758 198 H TYR 28 H TYR 28 -2.340 3.160 3.282 199 HA TYR 28 HA TYR 28 -0.107 4.575 3.982 200 1HB TYR 28 1HB TYR 28 -1.779 2.336 4.854 201 2HB TYR 28 2HB TYR 28 -0.095 1.947 5.221 202 HD1 TYR 28 1HD TYR 28 -2.540 4.774 5.584 203 HD2 TYR 28 2HD TYR 28 0.766 2.642 7.265 204 HE1 TYR 28 1HE TYR 28 -2.676 6.204 7.682 205 HE2 TYR 28 2HE TYR 28 0.620 4.079 9.356 206 HH TYR 28 HH TYR 28 -1.678 5.507 10.401 207 H CYS 29 H CYS 29 1.380 4.536 2.152 208 HA CYS 29 HA CYS 29 3.565 3.036 2.472 209 1HB CYS 29 1HB CYS 29 1.600 1.270 1.624 210 2HB CYS 29 2HB CYS 29 2.531 1.600 0.160 211 H THR 30 H THR 30 4.201 2.476 -0.367 212 HA THR 30 HA THR 30 3.495 4.834 -1.853 213 HB THR 30 HB THR 30 5.752 4.905 -0.073 214 HG1 THR 30 1HG THR 30 5.840 7.026 -1.226 215 1HG2 THR 30 1HG2 THR 30 7.057 3.779 -1.918 216 2HG2 THR 30 2HG2 THR 30 6.489 5.036 -3.045 217 3HG2 THR 30 3HG2 THR 30 7.550 5.474 -1.684 218 H GLY 31 H GLY 31 5.562 1.919 -1.462 219 1HA GLY 31 1HA GLY 31 5.311 0.180 -3.087 220 2HA GLY 31 2HA GLY 31 5.113 1.395 -4.334 221 H LYS 32 H LYS 32 7.336 -0.656 -2.707 222 HA LYS 32 HA LYS 32 9.397 -0.949 -3.928 223 1HB LYS 32 1HB LYS 32 9.279 1.164 -5.126 224 2HB LYS 32 2HB LYS 32 9.602 2.063 -3.633 225 1HG LYS 32 1HG LYS 32 11.534 1.345 -5.387 226 2HG LYS 32 2HG LYS 32 11.843 1.518 -3.649 227 1HD LYS 32 1HD LYS 32 11.634 -0.857 -3.302 228 2HD LYS 32 2HD LYS 32 10.993 -1.114 -4.934 229 1HE LYS 32 1HE LYS 32 13.631 0.235 -4.851 230 2HE LYS 32 2HE LYS 32 13.648 -1.410 -4.196 231 1HZ LYS 32 1HZ LYS 32 12.899 -2.255 -6.251 232 2HZ LYS 32 2HZ LYS 32 12.388 -0.812 -6.805 233 3HZ LYS 32 3HZ LYS 32 13.999 -1.101 -6.651 234 H SER 33 H SER 33 10.176 1.823 -1.825 235 HA SER 33 HA SER 33 11.110 -0.136 0.117 236 1HB SER 33 1HB SER 33 12.169 2.457 -0.896 237 2HB SER 33 2HB SER 33 12.392 2.164 0.839 238 HG SER 33 HG SER 33 13.701 1.056 -1.335 239 H CYS 34 H CYS 34 9.058 -0.312 1.231 240 HA CYS 34 HA CYS 34 8.571 1.973 2.954 241 1HB CYS 34 1HB CYS 34 6.288 0.581 1.563 242 2HB CYS 34 2HB CYS 34 6.218 2.004 2.608 243 H ASP 35 H ASP 35 6.061 0.557 3.920 244 HA ASP 35 HA ASP 35 6.357 -2.025 4.520 245 1HB ASP 35 1HB ASP 35 7.279 -1.804 6.952 246 2HB ASP 35 2HB ASP 35 8.439 -1.869 5.616 247 HD2 ASP 35 HD ASP 35 9.663 -0.946 7.375 248 H CYS 36 H CYS 36 4.330 -0.052 4.157 249 HA CYS 36 HA CYS 36 3.162 0.136 6.838 250 1HB CYS 36 1HB CYS 36 3.001 1.941 4.452 251 2HB CYS 36 2HB CYS 36 1.697 1.923 5.642 252 HA PRO 37 HA PRO 37 0.054 -2.490 5.280 253 1HB PRO 37 1HB PRO 37 -2.004 -1.947 6.991 254 2HB PRO 37 2HB PRO 37 -0.669 -3.023 7.400 255 1HG PRO 37 1HG PRO 37 -1.192 -0.245 8.243 256 2HG PRO 37 2HG PRO 37 -0.127 -1.473 9.020 257 1HD PRO 37 1HD PRO 37 0.627 0.788 7.434 258 2HD PRO 37 2HD PRO 37 1.700 -0.480 8.040 259 H LEU 38 H LEU 38 -1.474 -2.656 3.702 260 HA LEU 38 HA LEU 38 -2.902 -0.147 3.196 261 1HB LEU 38 1HB LEU 38 -1.596 -1.845 1.079 262 2HB LEU 38 2HB LEU 38 -2.497 -0.338 0.835 263 HG LEU 38 HG LEU 38 -0.407 0.249 2.648 264 1HD1 LEU 38 1HD1 LEU 38 1.173 -1.271 2.224 265 2HD1 LEU 38 2HD1 LEU 38 0.341 -1.871 0.771 266 3HD1 LEU 38 3HD1 LEU 38 1.384 -0.431 0.670 267 1HD2 LEU 38 1HD2 LEU 38 -1.592 1.406 0.491 268 2HD2 LEU 38 2HD2 LEU 38 -0.105 1.999 1.271 269 3HD2 LEU 38 3HD2 LEU 38 -0.002 0.976 -0.184 270 H TYR 39 H TYR 39 -4.521 -1.415 4.509 271 HA TYR 39 HA TYR 39 -6.427 -2.538 2.799 272 1HB TYR 39 1HB TYR 39 -4.566 -4.366 3.034 273 2HB TYR 39 2HB TYR 39 -5.020 -4.468 4.738 274 HD1 TYR 39 1HD TYR 39 -7.144 -5.483 5.405 275 HD2 TYR 39 2HD TYR 39 -6.021 -5.227 1.284 276 HE1 TYR 39 1HE TYR 39 -8.951 -7.166 4.800 277 HE2 TYR 39 2HE TYR 39 -7.832 -6.910 0.694 278 HH TYR 39 HH TYR 39 -9.387 -8.779 3.031 279 HA PRO 40 HA PRO 40 -8.697 -1.555 6.352 280 1HB PRO 40 1HB PRO 40 -11.125 -2.616 5.687 281 2HB PRO 40 2HB PRO 40 -10.564 -1.051 5.102 282 1HG PRO 40 1HG PRO 40 -10.709 -3.654 3.719 283 2HG PRO 40 2HG PRO 40 -10.602 -2.006 3.001 284 1HD PRO 40 1HD PRO 40 -8.547 -3.987 3.225 285 2HD PRO 40 2HD PRO 40 -8.351 -2.324 2.656 286 H GLY 41 H GLY 41 -8.643 -2.266 8.385 287 1HA GLY 41 1HA GLY 41 -9.812 -4.350 9.492 288 2HA GLY 41 2HA GLY 41 -8.488 -5.170 8.686 Start of MODEL 6 1 H CYS 1 H CYS 1 -2.916 -4.341 2.594 2 HA CYS 1 HA CYS 1 -3.437 -6.832 2.370 3 1HB CYS 1 1HB CYS 1 -2.153 -8.116 1.051 4 2HB CYS 1 2HB CYS 1 -2.087 -6.630 0.101 5 H THR 2 H THR 2 -1.112 -8.294 3.189 6 HA THR 2 HA THR 2 0.264 -6.625 5.128 7 HB THR 2 HB THR 2 -1.590 -7.150 6.515 8 HG1 THR 2 1HG THR 2 0.157 -9.505 6.608 9 1HG2 THR 2 1HG2 THR 2 -2.739 -8.748 4.945 10 2HG2 THR 2 2HG2 THR 2 -1.518 -9.981 5.340 11 3HG2 THR 2 3HG2 THR 2 -2.638 -9.403 6.598 12 H THR 3 H THR 3 0.606 -8.498 2.622 13 HA THR 3 HA THR 3 1.964 -10.776 3.341 14 HB THR 3 HB THR 3 2.645 -8.872 1.043 15 HG1 THR 3 1HG THR 3 0.577 -10.902 1.513 16 1HG2 THR 3 1HG2 THR 3 3.205 -11.722 1.694 17 2HG2 THR 3 2HG2 THR 3 2.465 -11.479 0.095 18 3HG2 THR 3 3HG2 THR 3 3.993 -10.664 0.502 19 H GLY 4 H GLY 4 3.804 -7.885 2.212 20 1HA GLY 4 1HA GLY 4 5.679 -8.377 4.446 21 2HA GLY 4 2HA GLY 4 6.222 -8.114 2.800 22 HA PRO 5 HA PRO 5 6.245 -3.955 4.318 23 1HB PRO 5 1HB PRO 5 8.111 -3.005 2.564 24 2HB PRO 5 2HB PRO 5 8.527 -3.725 4.117 25 1HG PRO 5 1HG PRO 5 8.702 -4.854 1.398 26 2HG PRO 5 2HG PRO 5 9.559 -5.383 2.892 27 1HD PRO 5 1HD PRO 5 7.329 -6.616 1.586 28 2HD PRO 5 2HD PRO 5 8.031 -7.084 3.139 29 H CYS 6 H CYS 6 4.229 -5.041 2.574 30 HA CYS 6 HA CYS 6 2.699 -4.343 1.165 31 1HB CYS 6 1HB CYS 6 2.156 -1.953 1.072 32 2HB CYS 6 2HB CYS 6 2.329 -2.564 2.720 33 H CYS 7 H CYS 7 5.602 -2.172 0.774 34 HA CYS 7 HA CYS 7 5.334 -1.682 -1.897 35 1HB CYS 7 1HB CYS 7 7.724 -1.867 -0.094 36 2HB CYS 7 2HB CYS 7 7.918 -1.521 -1.815 37 H ARG 8 H ARG 8 4.732 -3.420 -3.231 38 HA ARG 8 HA ARG 8 5.709 -4.881 -4.739 39 1HB ARG 8 1HB ARG 8 7.161 -5.963 -2.284 40 2HB ARG 8 2HB ARG 8 7.206 -6.758 -3.867 41 1HG ARG 8 1HG ARG 8 7.869 -3.845 -3.805 42 2HG ARG 8 2HG ARG 8 9.054 -4.930 -3.056 43 1HD ARG 8 1HD ARG 8 8.129 -6.012 -5.600 44 2HD ARG 8 2HD ARG 8 8.736 -4.364 -5.823 45 HE ARG 8 HE ARG 8 10.305 -6.721 -5.234 46 1HH1 ARG 8 2HH2 ARG 8 10.165 -3.238 -4.599 47 2HH1 ARG 8 1HH2 ARG 8 11.870 -3.093 -4.332 48 1HH2 ARG 8 2HH1 ARG 8 12.518 -6.528 -4.887 49 2HH2 ARG 8 1HH1 ARG 8 13.221 -4.972 -4.496 50 H GLN 9 H GLN 9 3.620 -4.805 -2.255 51 HA GLN 9 HA GLN 9 2.326 -7.190 -3.113 52 1HB GLN 9 1HB GLN 9 3.648 -7.002 -0.433 53 2HB GLN 9 2HB GLN 9 2.051 -7.769 -0.492 54 1HG GLN 9 1HG GLN 9 3.069 -9.660 -1.178 55 2HG GLN 9 2HG GLN 9 3.495 -8.841 -2.688 56 1HE2 GLN 9 1HE2 GLN 9 5.039 -10.846 -1.634 57 2HE2 GLN 9 2HE2 GLN 9 6.559 -10.226 -1.083 58 H CYS 10 H CYS 10 1.995 -5.545 0.076 59 HA CYS 10 HA CYS 10 -0.713 -5.101 -0.241 60 1HB CYS 10 1HB CYS 10 1.063 -3.412 1.500 61 2HB CYS 10 2HB CYS 10 -0.625 -3.865 1.759 62 H LYS 11 H LYS 11 2.128 -3.415 -1.445 63 HA LYS 11 HA LYS 11 0.764 -0.927 -1.878 64 1HB LYS 11 1HB LYS 11 2.795 -0.093 -2.406 65 2HB LYS 11 2HB LYS 11 3.342 -1.510 -1.492 66 1HG LYS 11 1HG LYS 11 4.603 -1.793 -3.398 67 2HG LYS 11 2HG LYS 11 3.150 -2.660 -3.922 68 1HD LYS 11 1HD LYS 11 2.527 -0.066 -4.605 69 2HD LYS 11 2HD LYS 11 4.281 -0.073 -4.859 70 1HE LYS 11 1HE LYS 11 2.770 -0.749 -6.849 71 2HE LYS 11 2HE LYS 11 4.141 -1.809 -6.488 72 1HZ LYS 11 1HZ LYS 11 1.290 -2.308 -6.137 73 2HZ LYS 11 2HZ LYS 11 2.471 -3.352 -6.543 74 3HZ LYS 11 3HZ LYS 11 2.302 -2.884 -4.976 75 H LEU 12 H LEU 12 0.138 -3.845 -3.118 76 HA LEU 12 HA LEU 12 0.420 -3.917 -5.771 77 1HB LEU 12 1HB LEU 12 -1.800 -5.007 -5.855 78 2HB LEU 12 2HB LEU 12 -0.699 -5.649 -4.622 79 HG LEU 12 HG LEU 12 -2.097 -3.833 -3.160 80 1HD1 LEU 12 1HD1 LEU 12 -3.535 -3.887 -5.536 81 2HD1 LEU 12 2HD1 LEU 12 -4.448 -4.966 -4.453 82 3HD1 LEU 12 3HD1 LEU 12 -4.103 -3.293 -3.956 83 1HD2 LEU 12 1HD2 LEU 12 -2.733 -5.638 -1.983 84 2HD2 LEU 12 2HD2 LEU 12 -3.465 -6.438 -3.395 85 3HD2 LEU 12 3HD2 LEU 12 -1.705 -6.525 -3.136 86 H LYS 13 H LYS 13 -1.549 -1.604 -3.923 87 HA LYS 13 HA LYS 13 -3.070 -0.653 -6.076 88 1HB LYS 13 1HB LYS 13 -3.477 1.282 -4.619 89 2HB LYS 13 2HB LYS 13 -3.706 -0.257 -3.772 90 1HG LYS 13 1HG LYS 13 -0.990 1.020 -3.677 91 2HG LYS 13 2HG LYS 13 -2.276 1.766 -2.713 92 1HD LYS 13 1HD LYS 13 -0.909 -0.868 -2.398 93 2HD LYS 13 2HD LYS 13 -1.537 0.228 -1.156 94 1HE LYS 13 1HE LYS 13 -3.166 -1.636 -2.936 95 2HE LYS 13 2HE LYS 13 -2.857 -1.856 -1.207 96 1HZ LYS 13 1HZ LYS 13 -4.940 -0.831 -1.279 97 2HZ LYS 13 2HZ LYS 13 -3.975 0.456 -1.029 98 3HZ LYS 13 3HZ LYS 13 -4.522 0.129 -2.546 99 HA PRO 14 HA PRO 14 -0.338 1.963 -8.158 100 1HB PRO 14 1HB PRO 14 -1.811 4.192 -8.733 101 2HB PRO 14 2HB PRO 14 -1.950 2.684 -9.636 102 1HG PRO 14 1HG PRO 14 -3.735 3.841 -7.591 103 2HG PRO 14 2HG PRO 14 -4.109 2.588 -8.828 104 1HD PRO 14 1HD PRO 14 -3.666 2.241 -6.021 105 2HD PRO 14 2HD PRO 14 -3.872 0.960 -7.223 106 H ALA 15 H ALA 15 0.127 1.995 -5.420 107 HA ALA 15 HA ALA 15 1.168 3.178 -3.868 108 1HB ALA 15 1HB ALA 15 2.982 3.580 -5.251 109 2HB ALA 15 2HB ALA 15 2.016 4.491 -6.435 110 3HB ALA 15 3HB ALA 15 2.485 5.251 -4.895 111 H GLY 16 H GLY 16 0.898 4.964 -2.411 112 1HA GLY 16 1HA GLY 16 -1.079 6.982 -3.236 113 2HA GLY 16 2HA GLY 16 -1.390 5.990 -1.825 114 H THR 17 H THR 17 -0.530 6.585 0.145 115 HA THR 17 HA THR 17 1.698 8.498 0.105 116 HB THR 17 HB THR 17 -1.074 8.781 1.303 117 HG1 THR 17 1HG THR 17 -0.561 10.944 0.415 118 1HG2 THR 17 1HG2 THR 17 -0.305 10.456 2.861 119 2HG2 THR 17 2HG2 THR 17 0.722 9.034 3.165 120 3HG2 THR 17 3HG2 THR 17 1.351 10.399 2.210 121 H THR 18 H THR 18 2.828 8.654 2.223 122 HA THR 18 HA THR 18 3.373 6.032 3.159 123 HB THR 18 HB THR 18 4.449 8.754 3.329 124 HG1 THR 18 1HG THR 18 6.212 7.406 3.030 125 1HG2 THR 18 1HG2 THR 18 3.863 8.619 5.745 126 2HG2 THR 18 2HG2 THR 18 4.558 6.982 5.827 127 3HG2 THR 18 3HG2 THR 18 5.614 8.381 5.527 128 H CYS 19 H CYS 19 2.283 4.837 4.576 129 HA CYS 19 HA CYS 19 0.481 4.446 5.898 130 1HB CYS 19 1HB CYS 19 1.840 5.948 8.048 131 2HB CYS 19 2HB CYS 19 1.294 4.269 7.995 132 H TRP 20 H TRP 20 -0.826 6.144 4.539 133 HA TRP 20 HA TRP 20 -2.359 7.673 6.284 134 1HB TRP 20 1HB TRP 20 -0.174 9.026 6.198 135 2HB TRP 20 2HB TRP 20 -0.674 9.476 4.566 136 HD1 TRP 20 HD TRP 20 -2.437 11.443 4.407 137 HE1 TRP 20 1HE TRP 20 -3.810 12.958 6.075 138 HE3 TRP 20 3HE TRP 20 -1.322 8.766 8.583 139 HZ2 TRP 20 2HZ TRP 20 -4.267 12.869 8.890 140 HZ3 TRP 20 3HZ TRP 20 -2.272 9.548 10.751 141 HH2 TRP 20 HH TRP 20 -3.699 11.524 10.946 142 H LYS 21 H LYS 21 -3.993 6.554 5.118 143 HA LYS 21 HA LYS 21 -4.913 7.836 2.808 144 1HB LYS 21 1HB LYS 21 -2.996 5.718 2.347 145 2HB LYS 21 2HB LYS 21 -4.569 5.313 1.638 146 1HG LYS 21 1HG LYS 21 -2.963 7.863 1.195 147 2HG LYS 21 2HG LYS 21 -3.207 6.564 0.014 148 1HD LYS 21 1HD LYS 21 -5.757 7.057 0.385 149 2HD LYS 21 2HD LYS 21 -5.201 8.596 1.064 150 1HE LYS 21 1HE LYS 21 -4.468 9.380 -0.980 151 2HE LYS 21 2HE LYS 21 -4.030 7.771 -1.574 152 1HZ LYS 21 1HZ LYS 21 -5.991 7.766 -2.640 153 2HZ LYS 21 2HZ LYS 21 -6.796 7.806 -1.224 154 3HZ LYS 21 3HZ LYS 21 -6.381 9.214 -1.967 155 H THR 22 H THR 22 -5.454 4.465 2.523 156 HA THR 22 HA THR 22 -7.289 3.250 2.883 157 HB THR 22 HB THR 22 -7.996 3.589 5.507 158 HG1 THR 22 1HG THR 22 -6.463 4.898 6.443 159 1HG2 THR 22 1HG2 THR 22 -6.884 1.530 4.658 160 2HG2 THR 22 2HG2 THR 22 -5.344 2.413 4.518 161 3HG2 THR 22 3HG2 THR 22 -6.055 2.112 6.122 162 H SER 23 H SER 23 -9.655 3.399 4.136 163 HA SER 23 HA SER 23 -11.621 4.335 4.158 164 1HB SER 23 1HB SER 23 -10.046 6.459 4.830 165 2HB SER 23 2HB SER 23 -10.810 7.093 3.361 166 HG SER 23 HG SER 23 -12.878 6.217 4.493 167 H LEU 24 H LEU 24 -9.661 3.927 1.572 168 HA LEU 24 HA LEU 24 -11.841 4.285 -0.279 169 1HB LEU 24 1HB LEU 24 -10.884 6.455 -0.398 170 2HB LEU 24 2HB LEU 24 -9.245 5.798 -0.558 171 HG LEU 24 HG LEU 24 -10.012 4.783 -2.753 172 1HD1 LEU 24 1HD1 LEU 24 -12.199 4.780 -3.161 173 2HD1 LEU 24 2HD1 LEU 24 -12.520 5.973 -1.879 174 3HD1 LEU 24 3HD1 LEU 24 -12.046 6.521 -3.504 175 1HD2 LEU 24 1HD2 LEU 24 -9.433 6.682 -3.969 176 2HD2 LEU 24 2HD2 LEU 24 -10.214 7.788 -2.812 177 3HD2 LEU 24 3HD2 LEU 24 -8.695 6.969 -2.376 178 H THR 25 H THR 25 -8.500 3.258 0.509 179 HA THR 25 HA THR 25 -8.958 0.758 -0.807 180 HB THR 25 HB THR 25 -7.544 2.984 -2.180 181 HG1 THR 25 1HG THR 25 -9.404 1.581 -2.881 182 1HG2 THR 25 1HG2 THR 25 -6.373 0.155 -2.190 183 2HG2 THR 25 2HG2 THR 25 -5.851 1.514 -3.214 184 3HG2 THR 25 3HG2 THR 25 -5.572 1.564 -1.456 185 H SER 26 H SER 26 -6.574 3.053 0.632 186 HA SER 26 HA SER 26 -5.534 2.632 2.597 187 1HB SER 26 1HB SER 26 -5.496 -0.337 1.966 188 2HB SER 26 2HB SER 26 -5.187 0.441 3.529 189 HG SER 26 HG SER 26 -7.620 1.244 2.827 190 H HIS 27 H HIS 27 -3.828 3.769 1.519 191 HA HIS 27 HA HIS 27 -2.031 2.153 -0.094 192 1HB HIS 27 1HB HIS 27 -2.018 5.133 0.432 193 2HB HIS 27 2HB HIS 27 -1.036 4.269 -0.757 194 HD1 HIS 27 1HD HIS 27 -4.810 4.425 -0.009 195 HD2 HIS 27 2HD HIS 27 -2.121 4.631 -3.222 196 HE1 HIS 27 1HE HIS 27 -6.226 4.753 -2.105 197 HE2 HIS 27 2HE HIS 27 -4.522 4.872 -4.058 198 H TYR 28 H TYR 28 -1.988 4.375 2.777 199 HA TYR 28 HA TYR 28 -0.139 4.764 4.111 200 1HB TYR 28 1HB TYR 28 -1.789 2.335 4.474 201 2HB TYR 28 2HB TYR 28 -0.218 2.135 5.253 202 HD1 TYR 28 1HD TYR 28 -0.178 2.649 7.506 203 HD2 TYR 28 2HD TYR 28 -2.814 4.840 4.946 204 HE1 TYR 28 1HE TYR 28 -1.022 3.981 9.501 205 HE2 TYR 28 2HE TYR 28 -3.649 6.164 6.949 206 HH TYR 28 HH TYR 28 -2.565 5.364 10.216 207 H CYS 29 H CYS 29 1.357 4.584 2.019 208 HA CYS 29 HA CYS 29 3.651 3.284 2.833 209 1HB CYS 29 1HB CYS 29 1.935 1.414 1.804 210 2HB CYS 29 2HB CYS 29 2.912 1.831 0.393 211 H THR 30 H THR 30 4.422 2.686 -0.088 212 HA THR 30 HA THR 30 3.932 5.094 -1.536 213 HB THR 30 HB THR 30 6.345 4.813 0.230 214 HG1 THR 30 1HG THR 30 5.345 6.742 0.639 215 1HG2 THR 30 1HG2 THR 30 6.418 6.060 -2.569 216 2HG2 THR 30 2HG2 THR 30 7.649 6.315 -1.307 217 3HG2 THR 30 3HG2 THR 30 7.419 4.696 -2.014 218 H GLY 31 H GLY 31 4.185 1.922 -1.446 219 1HA GLY 31 1HA GLY 31 4.655 0.314 -2.942 220 2HA GLY 31 2HA GLY 31 4.525 1.557 -4.169 221 H LYS 32 H LYS 32 6.555 -0.793 -3.019 222 HA LYS 32 HA LYS 32 8.654 -1.285 -3.552 223 1HB LYS 32 1HB LYS 32 8.764 1.464 -4.809 224 2HB LYS 32 2HB LYS 32 10.027 0.229 -4.947 225 1HG LYS 32 1HG LYS 32 8.765 -0.058 -6.911 226 2HG LYS 32 2HG LYS 32 8.108 -1.309 -5.843 227 1HD LYS 32 1HD LYS 32 6.117 -0.140 -5.489 228 2HD LYS 32 2HD LYS 32 6.843 1.436 -5.848 229 1HE LYS 32 1HE LYS 32 7.017 -0.324 -8.161 230 2HE LYS 32 2HE LYS 32 5.341 -0.224 -7.603 231 1HZ LYS 32 1HZ LYS 32 5.291 2.037 -8.030 232 2HZ LYS 32 2HZ LYS 32 6.894 2.258 -7.844 233 3HZ LYS 32 3HZ LYS 32 6.326 1.521 -9.199 234 H SER 33 H SER 33 8.830 2.269 -2.805 235 HA SER 33 HA SER 33 10.591 1.517 -0.615 236 1HB SER 33 1HB SER 33 10.935 3.364 -2.642 237 2HB SER 33 2HB SER 33 10.391 4.389 -1.302 238 HG SER 33 HG SER 33 12.117 3.498 -0.007 239 H CYS 34 H CYS 34 8.913 0.993 0.921 240 HA CYS 34 HA CYS 34 7.841 3.312 2.205 241 1HB CYS 34 1HB CYS 34 5.539 2.754 2.113 242 2HB CYS 34 2HB CYS 34 6.144 2.870 0.458 243 H ASP 35 H ASP 35 5.978 1.886 3.874 244 HA ASP 35 HA ASP 35 6.914 -0.559 4.726 245 1HB ASP 35 1HB ASP 35 7.839 0.351 7.000 246 2HB ASP 35 2HB ASP 35 8.917 0.317 5.596 247 HD2 ASP 35 HD ASP 35 8.305 2.982 7.952 248 H CYS 36 H CYS 36 4.416 -0.226 4.474 249 HA CYS 36 HA CYS 36 3.285 -0.057 7.041 250 1HB CYS 36 1HB CYS 36 3.141 2.356 5.322 251 2HB CYS 36 2HB CYS 36 1.649 1.861 6.127 252 HA PRO 37 HA PRO 37 0.406 -2.386 4.750 253 1HB PRO 37 1HB PRO 37 -1.795 -2.328 6.367 254 2HB PRO 37 2HB PRO 37 -0.422 -3.397 6.646 255 1HG PRO 37 1HG PRO 37 -1.184 -0.895 8.009 256 2HG PRO 37 2HG PRO 37 -0.096 -2.205 8.593 257 1HD PRO 37 1HD PRO 37 0.611 0.380 7.582 258 2HD PRO 37 2HD PRO 37 1.723 -0.932 7.993 259 H LEU 38 H LEU 38 -0.915 -2.244 3.009 260 HA LEU 38 HA LEU 38 -2.255 0.363 2.827 261 1HB LEU 38 1HB LEU 38 -1.868 -1.080 0.335 262 2HB LEU 38 2HB LEU 38 -1.508 0.603 0.752 263 HG LEU 38 HG LEU 38 0.232 -1.822 0.832 264 1HD1 LEU 38 1HD1 LEU 38 1.034 1.016 0.227 265 2HD1 LEU 38 2HD1 LEU 38 1.756 -0.509 -0.342 266 3HD1 LEU 38 3HD1 LEU 38 0.178 0.018 -0.973 267 1HD2 LEU 38 1HD2 LEU 38 1.791 -0.152 2.250 268 2HD2 LEU 38 2HD2 LEU 38 0.200 0.290 2.916 269 3HD2 LEU 38 3HD2 LEU 38 0.757 -1.398 2.989 270 H TYR 39 H TYR 39 -3.587 -1.458 4.347 271 HA TYR 39 HA TYR 39 -6.033 -1.668 3.138 272 1HB TYR 39 1HB TYR 39 -4.374 -3.395 1.860 273 2HB TYR 39 2HB TYR 39 -4.713 -4.414 3.262 274 HD1 TYR 39 1HD TYR 39 -6.514 -2.384 0.669 275 HD2 TYR 39 2HD TYR 39 -6.528 -5.864 3.157 276 HE1 TYR 39 1HE TYR 39 -8.665 -3.173 -0.434 277 HE2 TYR 39 2HE TYR 39 -8.679 -6.641 2.046 278 HH TYR 39 HH TYR 39 -10.438 -5.896 0.820 279 HA PRO 40 HA PRO 40 -6.859 -2.780 7.237 280 1HB PRO 40 1HB PRO 40 -9.488 -3.501 7.057 281 2HB PRO 40 2HB PRO 40 -8.954 -1.827 7.148 282 1HG PRO 40 1HG PRO 40 -9.898 -3.391 4.834 283 2HG PRO 40 2HG PRO 40 -9.821 -1.602 5.024 284 1HD PRO 40 1HD PRO 40 -8.093 -3.308 3.507 285 2HD PRO 40 2HD PRO 40 -7.881 -1.575 3.790 286 H GLY 41 H GLY 41 -7.672 -4.517 8.754 287 1HA GLY 41 1HA GLY 41 -8.191 -6.825 8.966 288 2HA GLY 41 2HA GLY 41 -7.372 -7.143 7.448 Start of MODEL 7 1 H CYS 1 H CYS 1 -2.117 -3.315 5.356 2 HA CYS 1 HA CYS 1 0.020 -3.513 3.939 3 1HB CYS 1 1HB CYS 1 1.616 -4.629 4.976 4 2HB CYS 1 2HB CYS 1 0.514 -5.240 6.215 5 H THR 2 H THR 2 -0.098 -5.288 2.199 6 HA THR 2 HA THR 2 -2.789 -6.488 2.183 7 HB THR 2 HB THR 2 -1.244 -4.857 0.157 8 HG1 THR 2 1HG THR 2 -3.991 -5.327 1.076 9 1HG2 THR 2 1HG2 THR 2 -1.792 -7.130 -0.927 10 2HG2 THR 2 2HG2 THR 2 -3.504 -6.785 -0.574 11 3HG2 THR 2 3HG2 THR 2 -2.590 -5.725 -1.675 12 H THR 3 H THR 3 0.634 -6.754 1.080 13 HA THR 3 HA THR 3 0.161 -9.654 0.858 14 HB THR 3 HB THR 3 2.101 -7.824 -0.652 15 HG1 THR 3 1HG THR 3 0.341 -7.765 -1.989 16 1HG2 THR 3 1HG2 THR 3 1.844 -10.183 -2.072 17 2HG2 THR 3 2HG2 THR 3 3.215 -9.820 -0.995 18 3HG2 THR 3 3HG2 THR 3 1.844 -10.788 -0.398 19 H GLY 4 H GLY 4 3.184 -7.700 1.013 20 1HA GLY 4 1HA GLY 4 3.918 -9.307 3.384 21 2HA GLY 4 2HA GLY 4 5.038 -8.704 2.178 22 HA PRO 5 HA PRO 5 5.446 -5.427 5.079 23 1HB PRO 5 1HB PRO 5 7.707 -4.331 4.010 24 2HB PRO 5 2HB PRO 5 7.735 -5.652 5.177 25 1HG PRO 5 1HG PRO 5 8.157 -5.690 2.258 26 2HG PRO 5 2HG PRO 5 8.652 -6.915 3.479 27 1HD PRO 5 1HD PRO 5 6.486 -7.040 1.610 28 2HD PRO 5 2HD PRO 5 6.836 -8.200 2.899 29 H CYS 6 H CYS 6 5.047 -5.227 1.699 30 HA CYS 6 HA CYS 6 3.620 -3.781 0.704 31 1HB CYS 6 1HB CYS 6 2.555 -2.109 1.732 32 2HB CYS 6 2HB CYS 6 3.162 -2.904 3.187 33 H CYS 7 H CYS 7 4.140 -2.074 -0.862 34 HA CYS 7 HA CYS 7 5.462 -0.477 -1.771 35 1HB CYS 7 1HB CYS 7 6.790 -0.710 0.634 36 2HB CYS 7 2HB CYS 7 8.030 -1.145 -0.546 37 H ARG 8 H ARG 8 4.873 -3.306 -2.407 38 HA ARG 8 HA ARG 8 6.406 -3.606 -4.616 39 1HB ARG 8 1HB ARG 8 8.324 -4.047 -3.123 40 2HB ARG 8 2HB ARG 8 7.429 -5.347 -2.317 41 1HG ARG 8 1HG ARG 8 9.048 -6.190 -4.017 42 2HG ARG 8 2HG ARG 8 7.380 -6.645 -4.405 43 1HD ARG 8 1HD ARG 8 7.237 -4.782 -6.016 44 2HD ARG 8 2HD ARG 8 8.876 -4.260 -5.597 45 HE ARG 8 HE ARG 8 9.754 -6.115 -6.794 46 1HH1 ARG 8 2HH2 ARG 8 6.216 -6.275 -6.662 47 2HH1 ARG 8 1HH2 ARG 8 6.104 -7.504 -7.876 48 1HH2 ARG 8 2HH1 ARG 8 9.603 -7.714 -8.369 49 2HH2 ARG 8 1HH1 ARG 8 8.039 -8.332 -8.855 50 H GLN 9 H GLN 9 4.141 -4.561 -2.257 51 HA GLN 9 HA GLN 9 2.718 -6.121 -4.057 52 1HB GLN 9 1HB GLN 9 4.539 -7.574 -2.197 53 2HB GLN 9 2HB GLN 9 2.897 -8.222 -2.336 54 1HG GLN 9 1HG GLN 9 3.739 -7.614 -4.980 55 2HG GLN 9 2HG GLN 9 5.122 -8.405 -4.209 56 1HE2 GLN 9 1HE2 GLN 9 5.051 -10.524 -3.715 57 2HE2 GLN 9 2HE2 GLN 9 3.746 -11.594 -4.103 58 H CYS 10 H CYS 10 3.481 -5.346 -0.629 59 HA CYS 10 HA CYS 10 0.806 -5.816 0.226 60 1HB CYS 10 1HB CYS 10 3.324 -5.417 1.435 61 2HB CYS 10 2HB CYS 10 2.273 -4.127 2.026 62 H LYS 11 H LYS 11 2.249 -3.496 -1.733 63 HA LYS 11 HA LYS 11 0.209 -1.529 -0.982 64 1HB LYS 11 1HB LYS 11 1.662 0.139 -0.734 65 2HB LYS 11 2HB LYS 11 2.868 -1.135 -0.479 66 1HG LYS 11 1HG LYS 11 2.222 0.335 -3.064 67 2HG LYS 11 2HG LYS 11 3.736 0.407 -2.146 68 1HD LYS 11 1HD LYS 11 4.493 -1.568 -3.013 69 2HD LYS 11 2HD LYS 11 2.891 -2.327 -2.976 70 1HE LYS 11 1HE LYS 11 2.461 -0.492 -4.920 71 2HE LYS 11 2HE LYS 11 4.206 -0.703 -5.132 72 1HZ LYS 11 1HZ LYS 11 3.741 -2.614 -6.187 73 2HZ LYS 11 2HZ LYS 11 3.060 -3.237 -4.846 74 3HZ LYS 11 3HZ LYS 11 2.137 -2.385 -5.906 75 H LEU 12 H LEU 12 0.335 -3.801 -2.957 76 HA LEU 12 HA LEU 12 0.926 -3.220 -5.482 77 1HB LEU 12 1HB LEU 12 -0.606 -4.773 -6.124 78 2HB LEU 12 2HB LEU 12 -0.357 -5.190 -4.419 79 HG LEU 12 HG LEU 12 -2.459 -3.856 -3.923 80 1HD1 LEU 12 1HD1 LEU 12 -3.197 -2.550 -5.577 81 2HD1 LEU 12 2HD1 LEU 12 -2.285 -3.443 -6.817 82 3HD1 LEU 12 3HD1 LEU 12 -3.875 -4.037 -6.281 83 1HD2 LEU 12 1HD2 LEU 12 -2.253 -6.384 -4.115 84 2HD2 LEU 12 2HD2 LEU 12 -3.881 -5.694 -4.309 85 3HD2 LEU 12 3HD2 LEU 12 -2.961 -6.217 -5.740 86 H LYS 13 H LYS 13 -1.528 -1.594 -3.494 87 HA LYS 13 HA LYS 13 -3.166 -0.420 -5.234 88 1HB LYS 13 1HB LYS 13 -1.756 1.131 -3.059 89 2HB LYS 13 2HB LYS 13 -3.393 1.387 -3.688 90 1HG LYS 13 1HG LYS 13 -3.979 0.138 -1.866 91 2HG LYS 13 2HG LYS 13 -3.576 -1.229 -2.920 92 1HD LYS 13 1HD LYS 13 -1.111 -0.455 -1.843 93 2HD LYS 13 2HD LYS 13 -2.233 -0.263 -0.483 94 1HE LYS 13 1HE LYS 13 -1.430 -2.733 -1.995 95 2HE LYS 13 2HE LYS 13 -1.665 -2.516 -0.254 96 1HZ LYS 13 1HZ LYS 13 -4.145 -2.130 -1.164 97 2HZ LYS 13 2HZ LYS 13 -3.621 -3.169 -2.302 98 3HZ LYS 13 3HZ LYS 13 -3.539 -3.591 -0.714 99 HA PRO 14 HA PRO 14 -0.900 2.030 -7.967 100 1HB PRO 14 1HB PRO 14 -2.669 4.022 -8.577 101 2HB PRO 14 2HB PRO 14 -2.744 2.412 -9.294 102 1HG PRO 14 1HG PRO 14 -4.394 3.624 -7.168 103 2HG PRO 14 2HG PRO 14 -4.769 2.203 -8.209 104 1HD PRO 14 1HD PRO 14 -3.965 2.233 -5.461 105 2HD PRO 14 2HD PRO 14 -4.167 0.807 -6.486 106 H ALA 15 H ALA 15 0.195 2.392 -5.596 107 HA ALA 15 HA ALA 15 1.389 3.824 -4.407 108 1HB ALA 15 1HB ALA 15 2.090 4.473 -6.777 109 2HB ALA 15 2HB ALA 15 0.965 5.843 -6.636 110 3HB ALA 15 3HB ALA 15 2.347 5.710 -5.524 111 H GLY 16 H GLY 16 0.977 5.163 -2.662 112 1HA GLY 16 1HA GLY 16 -0.894 7.276 -2.701 113 2HA GLY 16 2HA GLY 16 -1.660 5.837 -2.061 114 H THR 17 H THR 17 1.042 8.152 -1.630 115 HA THR 17 HA THR 17 2.372 8.591 0.111 116 HB THR 17 HB THR 17 -0.117 7.914 1.753 117 HG1 THR 17 1HG THR 17 -0.591 9.184 -0.201 118 1HG2 THR 17 1HG2 THR 17 2.312 9.670 2.069 119 2HG2 THR 17 2HG2 THR 17 0.751 10.341 2.604 120 3HG2 THR 17 3HG2 THR 17 1.360 8.827 3.316 121 H THR 18 H THR 18 2.960 7.764 2.548 122 HA THR 18 HA THR 18 3.341 4.856 2.242 123 HB THR 18 HB THR 18 5.352 6.515 1.893 124 HG1 THR 18 1HG THR 18 5.152 4.363 3.874 125 1HG2 THR 18 1HG2 THR 18 6.483 7.192 3.945 126 2HG2 THR 18 2HG2 THR 18 4.831 7.847 4.028 127 3HG2 THR 18 3HG2 THR 18 5.257 6.383 4.949 128 H CYS 19 H CYS 19 1.338 6.817 3.724 129 HA CYS 19 HA CYS 19 0.700 5.127 5.750 130 1HB CYS 19 1HB CYS 19 2.970 6.780 6.470 131 2HB CYS 19 2HB CYS 19 1.601 7.056 7.550 132 H TRP 20 H TRP 20 -1.040 6.134 4.204 133 HA TRP 20 HA TRP 20 -2.040 8.606 5.450 134 1HB TRP 20 1HB TRP 20 -1.265 8.948 3.148 135 2HB TRP 20 2HB TRP 20 -2.377 7.700 2.584 136 HD1 TRP 20 HD TRP 20 -5.136 8.367 3.329 137 HE1 TRP 20 1HE TRP 20 -6.414 10.657 3.037 138 HE3 TRP 20 3HE TRP 20 -0.964 11.258 3.007 139 HZ2 TRP 20 2HZ TRP 20 -5.557 13.360 2.711 140 HZ3 TRP 20 3HZ TRP 20 -1.273 13.713 2.702 141 HH2 TRP 20 HH TRP 20 -3.472 14.770 2.555 142 H LYS 21 H LYS 21 -3.199 5.872 3.336 143 HA LYS 21 HA LYS 21 -4.823 4.393 3.626 144 1HB LYS 21 1HB LYS 21 -4.471 3.590 5.680 145 2HB LYS 21 2HB LYS 21 -4.284 5.194 6.410 146 1HG LYS 21 1HG LYS 21 -7.009 4.316 5.469 147 2HG LYS 21 2HG LYS 21 -6.386 3.650 6.988 148 1HD LYS 21 1HD LYS 21 -5.857 6.441 7.060 149 2HD LYS 21 2HD LYS 21 -7.514 6.279 6.455 150 1HE LYS 21 1HE LYS 21 -7.336 6.433 8.966 151 2HE LYS 21 2HE LYS 21 -8.156 4.967 8.407 152 1HZ LYS 21 1HZ LYS 21 -5.312 4.640 8.678 153 2HZ LYS 21 2HZ LYS 21 -6.022 5.025 10.092 154 3HZ LYS 21 3HZ LYS 21 -6.558 3.726 9.239 155 H THR 22 H THR 22 -6.655 4.729 2.499 156 HA THR 22 HA THR 22 -8.213 7.135 3.186 157 HB THR 22 HB THR 22 -8.737 7.288 0.835 158 HG1 THR 22 1HG THR 22 -7.294 4.799 0.437 159 1HG2 THR 22 1HG2 THR 22 -5.865 6.254 1.108 160 2HG2 THR 22 2HG2 THR 22 -6.517 7.027 -0.357 161 3HG2 THR 22 3HG2 THR 22 -6.380 7.957 1.155 162 H SER 23 H SER 23 -10.602 6.704 2.076 163 HA SER 23 HA SER 23 -11.565 4.571 3.743 164 1HB SER 23 1HB SER 23 -12.662 7.028 2.508 165 2HB SER 23 2HB SER 23 -13.801 5.671 2.555 166 HG SER 23 HG SER 23 -12.984 5.545 4.932 167 H LEU 24 H LEU 24 -10.523 4.982 0.531 168 HA LEU 24 HA LEU 24 -12.366 2.926 -0.455 169 1HB LEU 24 1HB LEU 24 -11.650 3.622 -2.676 170 2HB LEU 24 2HB LEU 24 -12.407 4.933 -1.755 171 HG LEU 24 HG LEU 24 -9.615 5.120 -1.312 172 1HD1 LEU 24 1HD1 LEU 24 -8.514 4.872 -3.276 173 2HD1 LEU 24 2HD1 LEU 24 -9.786 3.658 -3.553 174 3HD1 LEU 24 3HD1 LEU 24 -9.939 5.285 -4.261 175 1HD2 LEU 24 1HD2 LEU 24 -9.896 7.256 -2.610 176 2HD2 LEU 24 2HD2 LEU 24 -11.573 6.755 -2.937 177 3HD2 LEU 24 3HD2 LEU 24 -11.036 7.026 -1.262 178 H THR 25 H THR 25 -8.971 3.764 0.228 179 HA THR 25 HA THR 25 -8.277 0.996 0.267 180 HB THR 25 HB THR 25 -7.390 2.795 -2.035 181 HG1 THR 25 1HG THR 25 -8.086 0.708 -3.082 182 1HG2 THR 25 1HG2 THR 25 -5.663 1.057 -0.627 183 2HG2 THR 25 2HG2 THR 25 -6.287 0.064 -1.967 184 3HG2 THR 25 3HG2 THR 25 -5.455 1.599 -2.310 185 H SER 26 H SER 26 -7.002 0.791 1.987 186 HA SER 26 HA SER 26 -6.027 2.952 3.350 187 1HB SER 26 1HB SER 26 -5.656 0.009 3.407 188 2HB SER 26 2HB SER 26 -4.348 0.933 4.166 189 HG SER 26 HG SER 26 -5.680 1.564 5.760 190 H HIS 27 H HIS 27 -4.971 4.321 1.717 191 HA HIS 27 HA HIS 27 -2.702 3.322 0.334 192 1HB HIS 27 1HB HIS 27 -3.804 6.108 0.738 193 2HB HIS 27 2HB HIS 27 -2.414 5.742 -0.288 194 HD1 HIS 27 1HD HIS 27 -4.565 7.004 -1.818 195 HD2 HIS 27 2HD HIS 27 -4.632 2.886 -1.027 196 HE1 HIS 27 1HE HIS 27 -6.098 5.965 -3.574 197 HE2 HIS 27 2HE HIS 27 -6.107 3.426 -3.043 198 H TYR 28 H TYR 28 -1.317 2.448 1.965 199 HA TYR 28 HA TYR 28 0.011 4.542 3.549 200 1HB TYR 28 1HB TYR 28 -1.452 2.114 4.266 201 2HB TYR 28 2HB TYR 28 0.245 1.881 4.694 202 HD1 TYR 28 1HD TYR 28 0.712 2.329 6.913 203 HD2 TYR 28 2HD TYR 28 -2.257 4.683 4.928 204 HE1 TYR 28 1HE TYR 28 0.331 3.661 9.046 205 HE2 TYR 28 2HE TYR 28 -2.627 6.007 7.066 206 HH TYR 28 HH TYR 28 -1.343 6.572 9.075 207 H CYS 29 H CYS 29 0.863 3.894 0.948 208 HA CYS 29 HA CYS 29 3.505 3.357 1.330 209 1HB CYS 29 1HB CYS 29 1.900 0.890 1.073 210 2HB CYS 29 2HB CYS 29 3.338 0.983 0.052 211 H THR 30 H THR 30 4.588 2.872 -0.919 212 HA THR 30 HA THR 30 2.794 3.781 -3.070 213 HB THR 30 HB THR 30 4.029 5.735 -2.761 214 HG1 THR 30 1HG THR 30 5.392 5.583 -4.529 215 1HG2 THR 30 1HG2 THR 30 6.541 4.157 -2.044 216 2HG2 THR 30 2HG2 THR 30 6.212 5.883 -1.761 217 3HG2 THR 30 3HG2 THR 30 5.367 4.647 -0.800 218 H GLY 31 H GLY 31 6.062 2.337 -2.423 219 1HA GLY 31 1HA GLY 31 5.731 -0.083 -3.563 220 2HA GLY 31 2HA GLY 31 5.975 0.949 -4.957 221 H LYS 32 H LYS 32 7.510 -0.852 -2.481 222 HA LYS 32 HA LYS 32 9.619 -1.177 -1.924 223 1HB LYS 32 1HB LYS 32 9.910 0.054 -4.631 224 2HB LYS 32 2HB LYS 32 11.364 -0.219 -3.658 225 1HG LYS 32 1HG LYS 32 9.282 -2.291 -4.468 226 2HG LYS 32 2HG LYS 32 10.937 -2.173 -5.088 227 1HD LYS 32 1HD LYS 32 11.528 -2.351 -2.483 228 2HD LYS 32 2HD LYS 32 9.946 -3.145 -2.413 229 1HE LYS 32 1HE LYS 32 10.661 -4.780 -4.094 230 2HE LYS 32 2HE LYS 32 12.207 -3.944 -4.307 231 1HZ LYS 32 1HZ LYS 32 11.754 -5.960 -2.545 232 2HZ LYS 32 2HZ LYS 32 13.005 -4.922 -2.449 233 3HZ LYS 32 3HZ LYS 32 11.625 -4.616 -1.606 234 H SER 33 H SER 33 10.695 -0.279 -0.242 235 HA SER 33 HA SER 33 11.898 1.284 0.799 236 1HB SER 33 1HB SER 33 11.964 2.575 -1.452 237 2HB SER 33 2HB SER 33 10.619 3.524 -0.800 238 HG SER 33 HG SER 33 11.998 4.599 0.434 239 H CYS 34 H CYS 34 8.977 0.317 0.999 240 HA CYS 34 HA CYS 34 8.164 2.342 2.948 241 1HB CYS 34 1HB CYS 34 6.108 0.798 1.423 242 2HB CYS 34 2HB CYS 34 5.950 2.328 2.290 243 H ASP 35 H ASP 35 6.266 1.155 4.367 244 HA ASP 35 HA ASP 35 6.510 -1.626 4.588 245 1HB ASP 35 1HB ASP 35 8.697 -0.684 5.629 246 2HB ASP 35 2HB ASP 35 7.671 -0.089 6.944 247 HD2 ASP 35 HD ASP 35 8.900 -1.737 8.375 248 H CYS 36 H CYS 36 4.637 0.812 4.507 249 HA CYS 36 HA CYS 36 3.394 0.645 7.126 250 1HB CYS 36 1HB CYS 36 3.539 2.625 5.012 251 2HB CYS 36 2HB CYS 36 1.873 2.344 5.527 252 HA PRO 37 HA PRO 37 0.402 -2.099 5.531 253 1HB PRO 37 1HB PRO 37 -1.546 -1.849 7.429 254 2HB PRO 37 2HB PRO 37 -0.122 -2.866 7.638 255 1HG PRO 37 1HG PRO 37 -0.743 -0.216 8.776 256 2HG PRO 37 2HG PRO 37 0.449 -1.436 9.354 257 1HD PRO 37 1HD PRO 37 0.943 1.004 7.939 258 2HD PRO 37 2HD PRO 37 2.133 -0.239 8.344 259 H LEU 38 H LEU 38 -1.020 -2.110 3.894 260 HA LEU 38 HA LEU 38 -2.501 0.411 3.638 261 1HB LEU 38 1HB LEU 38 -1.743 -1.570 1.498 262 2HB LEU 38 2HB LEU 38 -2.538 -0.005 1.262 263 HG LEU 38 HG LEU 38 -0.285 0.797 2.520 264 1HD1 LEU 38 1HD1 LEU 38 1.509 -0.540 2.329 265 2HD1 LEU 38 2HD1 LEU 38 0.300 -1.843 2.231 266 3HD1 LEU 38 3HD1 LEU 38 1.007 -1.171 0.742 267 1HD2 LEU 38 1HD2 LEU 38 0.334 1.733 0.514 268 2HD2 LEU 38 2HD2 LEU 38 -0.099 0.284 -0.427 269 3HD2 LEU 38 3HD2 LEU 38 -1.376 1.352 0.202 270 H TYR 39 H TYR 39 -3.705 -1.047 5.469 271 HA TYR 39 HA TYR 39 -6.145 -1.778 4.237 272 1HB TYR 39 1HB TYR 39 -4.225 -3.747 4.158 273 2HB TYR 39 2HB TYR 39 -4.838 -4.031 5.790 274 HD1 TYR 39 1HD TYR 39 -5.873 -3.808 2.211 275 HD2 TYR 39 2HD TYR 39 -6.832 -5.252 6.122 276 HE1 TYR 39 1HE TYR 39 -7.788 -5.173 1.245 277 HE2 TYR 39 2HE TYR 39 -8.743 -6.612 5.143 278 HH TYR 39 HH TYR 39 -10.113 -6.715 3.291 279 HA PRO 40 HA PRO 40 -7.361 -0.866 8.290 280 1HB PRO 40 1HB PRO 40 -9.937 -1.771 8.264 281 2HB PRO 40 2HB PRO 40 -9.456 -0.216 7.590 282 1HG PRO 40 1HG PRO 40 -10.116 -2.749 6.231 283 2HG PRO 40 2HG PRO 40 -10.103 -1.082 5.553 284 1HD PRO 40 1HD PRO 40 -8.184 -3.174 5.174 285 2HD PRO 40 2HD PRO 40 -8.045 -1.502 4.617 286 H GLY 41 H GLY 41 -5.620 -2.605 8.765 287 1HA GLY 41 1HA GLY 41 -6.747 -4.209 10.836 288 2HA GLY 41 2HA GLY 41 -6.335 -5.180 9.436 Start of MODEL 8 1 H CYS 1 H CYS 1 -3.991 -3.479 1.732 2 HA CYS 1 HA CYS 1 -3.687 -5.739 1.170 3 1HB CYS 1 1HB CYS 1 -1.237 -5.901 0.874 4 2HB CYS 1 2HB CYS 1 -1.942 -4.388 0.291 5 H THR 2 H THR 2 -0.839 -6.602 2.476 6 HA THR 2 HA THR 2 -0.898 -7.174 5.055 7 HB THR 2 HB THR 2 -3.095 -8.029 5.222 8 HG1 THR 2 1HG THR 2 -2.664 -10.461 5.130 9 1HG2 THR 2 1HG2 THR 2 -3.345 -10.076 3.270 10 2HG2 THR 2 2HG2 THR 2 -4.222 -8.527 3.292 11 3HG2 THR 2 3HG2 THR 2 -2.699 -8.674 2.385 12 H THR 3 H THR 3 0.076 -7.632 1.933 13 HA THR 3 HA THR 3 1.338 -10.127 1.994 14 HB THR 3 HB THR 3 1.927 -7.506 0.524 15 HG1 THR 3 1HG THR 3 0.644 -10.077 -0.087 16 1HG2 THR 3 1HG2 THR 3 3.833 -9.343 0.604 17 2HG2 THR 3 2HG2 THR 3 2.715 -10.292 -0.405 18 3HG2 THR 3 3HG2 THR 3 3.314 -8.718 -0.980 19 H GLY 4 H GLY 4 3.627 -7.517 1.602 20 1HA GLY 4 1HA GLY 4 4.891 -8.292 4.162 21 2HA GLY 4 2HA GLY 4 5.790 -8.157 2.664 22 HA PRO 5 HA PRO 5 6.339 -4.012 3.967 23 1HB PRO 5 1HB PRO 5 8.143 -3.284 2.050 24 2HB PRO 5 2HB PRO 5 8.602 -4.085 3.549 25 1HG PRO 5 1HG PRO 5 8.366 -5.168 0.815 26 2HG PRO 5 2HG PRO 5 9.279 -5.841 2.215 27 1HD PRO 5 1HD PRO 5 6.789 -6.734 1.119 28 2HD PRO 5 2HD PRO 5 7.565 -7.325 2.593 29 H CYS 6 H CYS 6 4.403 -5.088 1.738 30 HA CYS 6 HA CYS 6 2.897 -4.181 0.429 31 1HB CYS 6 1HB CYS 6 1.930 -2.155 0.964 32 2HB CYS 6 2HB CYS 6 2.631 -2.700 2.490 33 H CYS 7 H CYS 7 5.655 -1.821 0.756 34 HA CYS 7 HA CYS 7 5.559 -0.740 -1.732 35 1HB CYS 7 1HB CYS 7 7.500 -0.982 0.397 36 2HB CYS 7 2HB CYS 7 8.289 -1.007 -1.183 37 H ARG 8 H ARG 8 4.732 -2.717 -2.957 38 HA ARG 8 HA ARG 8 5.478 -3.757 -4.858 39 1HB ARG 8 1HB ARG 8 7.901 -3.295 -4.342 40 2HB ARG 8 2HB ARG 8 7.906 -4.688 -3.245 41 1HG ARG 8 1HG ARG 8 8.746 -5.596 -5.236 42 2HG ARG 8 2HG ARG 8 7.028 -6.017 -5.340 43 1HD ARG 8 1HD ARG 8 6.869 -3.663 -6.574 44 2HD ARG 8 2HD ARG 8 8.595 -3.927 -6.865 45 HE ARG 8 HE ARG 8 7.064 -6.290 -7.521 46 1HH1 ARG 8 2HH2 ARG 8 7.868 -3.067 -8.752 47 2HH1 ARG 8 1HH2 ARG 8 7.625 -3.503 -10.411 48 1HH2 ARG 8 2HH1 ARG 8 6.747 -6.853 -9.677 49 2HH2 ARG 8 1HH1 ARG 8 6.983 -5.669 -10.945 50 H GLN 9 H GLN 9 4.987 -4.635 -1.591 51 HA GLN 9 HA GLN 9 3.828 -7.118 -2.441 52 1HB GLN 9 1HB GLN 9 6.305 -6.952 -0.839 53 2HB GLN 9 2HB GLN 9 5.059 -7.989 -0.123 54 1HG GLN 9 1HG GLN 9 5.125 -8.551 -2.923 55 2HG GLN 9 2HG GLN 9 6.807 -8.520 -2.373 56 1HE2 GLN 9 1HE2 GLN 9 4.991 -10.703 -3.248 57 2HE2 GLN 9 2HE2 GLN 9 5.003 -11.887 -1.984 58 H CYS 10 H CYS 10 1.923 -5.734 -1.969 59 HA CYS 10 HA CYS 10 0.317 -6.164 -0.155 60 1HB CYS 10 1HB CYS 10 1.416 -6.358 1.796 61 2HB CYS 10 2HB CYS 10 2.649 -5.167 1.370 62 H LYS 11 H LYS 11 2.389 -3.541 -1.341 63 HA LYS 11 HA LYS 11 0.242 -1.603 -1.044 64 1HB LYS 11 1HB LYS 11 1.818 0.007 -1.206 65 2HB LYS 11 2HB LYS 11 2.861 -1.308 -0.636 66 1HG LYS 11 1HG LYS 11 4.117 -0.818 -2.464 67 2HG LYS 11 2HG LYS 11 2.886 -1.707 -3.376 68 1HD LYS 11 1HD LYS 11 1.653 0.650 -3.358 69 2HD LYS 11 2HD LYS 11 3.288 1.273 -3.083 70 1HE LYS 11 1HE LYS 11 2.487 1.083 -5.527 71 2HE LYS 11 2HE LYS 11 4.077 0.395 -5.162 72 1HZ LYS 11 1HZ LYS 11 2.176 -0.966 -6.422 73 2HZ LYS 11 2HZ LYS 11 3.283 -1.710 -5.488 74 3HZ LYS 11 3HZ LYS 11 1.803 -1.350 -4.867 75 H LEU 12 H LEU 12 0.030 -4.024 -2.816 76 HA LEU 12 HA LEU 12 0.478 -3.703 -5.416 77 1HB LEU 12 1HB LEU 12 -1.301 -5.105 -5.840 78 2HB LEU 12 2HB LEU 12 -0.817 -5.503 -4.181 79 HG LEU 12 HG LEU 12 -2.728 -3.810 -3.551 80 1HD1 LEU 12 1HD1 LEU 12 -3.263 -4.408 -6.438 81 2HD1 LEU 12 2HD1 LEU 12 -4.628 -4.226 -5.311 82 3HD1 LEU 12 3HD1 LEU 12 -3.467 -2.894 -5.525 83 1HD2 LEU 12 1HD2 LEU 12 -2.624 -6.246 -3.041 84 2HD2 LEU 12 2HD2 LEU 12 -4.271 -5.639 -3.337 85 3HD2 LEU 12 3HD2 LEU 12 -3.424 -6.566 -4.598 86 H LYS 13 H LYS 13 -1.673 -1.713 -3.415 87 HA LYS 13 HA LYS 13 -3.314 -0.550 -5.196 88 1HB LYS 13 1HB LYS 13 -1.752 0.971 -3.103 89 2HB LYS 13 2HB LYS 13 -3.351 1.372 -3.752 90 1HG LYS 13 1HG LYS 13 -4.030 0.285 -1.848 91 2HG LYS 13 2HG LYS 13 -3.860 -1.145 -2.882 92 1HD LYS 13 1HD LYS 13 -1.284 -0.776 -1.921 93 2HD LYS 13 2HD LYS 13 -2.271 -0.295 -0.531 94 1HE LYS 13 1HE LYS 13 -1.977 -2.963 -1.859 95 2HE LYS 13 2HE LYS 13 -2.167 -2.581 -0.142 96 1HZ LYS 13 1HZ LYS 13 -4.544 -1.867 -0.970 97 2HZ LYS 13 2HZ LYS 13 -4.238 -2.895 -2.195 98 3HZ LYS 13 3HZ LYS 13 -4.175 -3.435 -0.644 99 HA PRO 14 HA PRO 14 -0.984 1.691 -8.054 100 1HB PRO 14 1HB PRO 14 -2.484 3.926 -8.512 101 2HB PRO 14 2HB PRO 14 -2.853 2.357 -9.224 102 1HG PRO 14 1HG PRO 14 -4.132 3.762 -6.968 103 2HG PRO 14 2HG PRO 14 -4.793 2.428 -7.980 104 1HD PRO 14 1HD PRO 14 -3.777 2.299 -5.306 105 2HD PRO 14 2HD PRO 14 -4.266 0.933 -6.315 106 H ALA 15 H ALA 15 0.097 1.913 -5.530 107 HA ALA 15 HA ALA 15 1.522 3.156 -4.381 108 1HB ALA 15 1HB ALA 15 1.628 4.545 -7.074 109 2HB ALA 15 2HB ALA 15 2.638 5.072 -5.707 110 3HB ALA 15 3HB ALA 15 2.805 3.422 -6.354 111 H GLY 16 H GLY 16 0.774 4.245 -2.638 112 1HA GLY 16 1HA GLY 16 -1.007 6.554 -3.140 113 2HA GLY 16 2HA GLY 16 -1.101 5.493 -1.748 114 H THR 17 H THR 17 -0.224 6.297 0.104 115 HA THR 17 HA THR 17 2.272 7.788 -0.076 116 HB THR 17 HB THR 17 -0.395 8.870 0.941 117 HG1 THR 17 1HG THR 17 1.834 9.772 -0.746 118 1HG2 THR 17 1HG2 THR 17 0.684 10.555 2.159 119 2HG2 THR 17 2HG2 THR 17 1.802 9.207 2.482 120 3HG2 THR 17 3HG2 THR 17 2.190 10.403 1.221 121 H THR 18 H THR 18 3.665 7.222 1.489 122 HA THR 18 HA THR 18 3.431 5.086 3.055 123 HB THR 18 HB THR 18 4.899 7.717 3.299 124 HG1 THR 18 1HG THR 18 5.767 6.076 1.949 125 1HG2 THR 18 1HG2 THR 18 4.942 7.393 5.615 126 2HG2 THR 18 2HG2 THR 18 4.552 5.661 5.478 127 3HG2 THR 18 3HG2 THR 18 6.207 6.230 5.150 128 H CYS 19 H CYS 19 2.343 4.337 4.779 129 HA CYS 19 HA CYS 19 0.471 4.373 6.051 130 1HB CYS 19 1HB CYS 19 2.008 6.337 7.708 131 2HB CYS 19 2HB CYS 19 1.060 4.939 8.223 132 H TRP 20 H TRP 20 -0.396 5.876 4.041 133 HA TRP 20 HA TRP 20 -1.097 8.514 5.081 134 1HB TRP 20 1HB TRP 20 -0.143 8.499 2.886 135 2HB TRP 20 2HB TRP 20 -1.300 7.289 2.327 136 HD1 TRP 20 HD TRP 20 -3.207 8.382 0.931 137 HE1 TRP 20 1HE TRP 20 -4.485 10.686 0.772 138 HE3 TRP 20 3HE TRP 20 -0.729 10.620 4.767 139 HZ2 TRP 20 2HZ TRP 20 -4.319 13.130 2.236 140 HZ3 TRP 20 3HZ TRP 20 -1.347 12.967 5.337 141 HH2 TRP 20 HH TRP 20 -3.075 14.216 4.142 142 H LYS 21 H LYS 21 -2.669 5.730 3.328 143 HA LYS 21 HA LYS 21 -4.606 4.709 3.673 144 1HB LYS 21 1HB LYS 21 -4.909 4.330 5.826 145 2HB LYS 21 2HB LYS 21 -4.044 5.811 6.274 146 1HG LYS 21 1HG LYS 21 -6.807 6.165 5.204 147 2HG LYS 21 2HG LYS 21 -6.693 5.383 6.791 148 1HD LYS 21 1HD LYS 21 -4.959 7.431 7.171 149 2HD LYS 21 2HD LYS 21 -6.018 8.188 5.969 150 1HE LYS 21 1HE LYS 21 -7.671 6.831 7.887 151 2HE LYS 21 2HE LYS 21 -6.485 7.787 8.787 152 1HZ LYS 21 1HZ LYS 21 -7.163 9.712 7.410 153 2HZ LYS 21 2HZ LYS 21 -8.295 8.810 6.664 154 3HZ LYS 21 3HZ LYS 21 -8.402 9.075 8.283 155 H THR 22 H THR 22 -6.242 5.107 2.292 156 HA THR 22 HA THR 22 -6.877 7.812 1.611 157 HB THR 22 HB THR 22 -8.203 6.740 -0.121 158 HG1 THR 22 1HG THR 22 -7.816 4.371 1.570 159 1HG2 THR 22 1HG2 THR 22 -5.528 6.001 0.248 160 2HG2 THR 22 2HG2 THR 22 -6.359 4.433 0.129 161 3HG2 THR 22 3HG2 THR 22 -6.505 5.619 -1.190 162 H SER 23 H SER 23 -9.799 6.949 1.143 163 HA SER 23 HA SER 23 -10.623 7.673 3.841 164 1HB SER 23 1HB SER 23 -11.218 8.798 1.300 165 2HB SER 23 2HB SER 23 -12.714 8.032 1.861 166 HG SER 23 HG SER 23 -11.160 10.119 3.094 167 H LEU 24 H LEU 24 -10.064 4.920 2.533 168 HA LEU 24 HA LEU 24 -12.117 3.523 3.781 169 1HB LEU 24 1HB LEU 24 -13.585 4.294 2.086 170 2HB LEU 24 2HB LEU 24 -12.455 3.838 0.800 171 HG LEU 24 HG LEU 24 -13.472 1.703 2.628 172 1HD1 LEU 24 1HD1 LEU 24 -15.254 3.448 1.265 173 2HD1 LEU 24 2HD1 LEU 24 -15.260 1.887 0.409 174 3HD1 LEU 24 3HD1 LEU 24 -15.621 1.948 2.151 175 1HD2 LEU 24 1HD2 LEU 24 -13.497 0.493 0.360 176 2HD2 LEU 24 2HD2 LEU 24 -12.597 1.901 -0.249 177 3HD2 LEU 24 3HD2 LEU 24 -11.920 0.915 1.069 178 H THR 25 H THR 25 -10.335 3.117 0.636 179 HA THR 25 HA THR 25 -9.522 0.522 1.117 180 HB THR 25 HB THR 25 -8.538 2.842 -0.579 181 HG1 THR 25 1HG THR 25 -9.361 1.228 -2.153 182 1HG2 THR 25 1HG2 THR 25 -6.985 0.457 0.144 183 2HG2 THR 25 2HG2 THR 25 -7.424 0.432 -1.581 184 3HG2 THR 25 3HG2 THR 25 -6.521 1.813 -0.911 185 H SER 26 H SER 26 -6.779 2.693 0.810 186 HA SER 26 HA SER 26 -5.887 3.262 3.154 187 1HB SER 26 1HB SER 26 -6.404 1.198 4.227 188 2HB SER 26 2HB SER 26 -5.682 0.239 2.924 189 HG SER 26 HG SER 26 -4.443 1.671 5.060 190 H HIS 27 H HIS 27 -4.477 4.557 1.949 191 HA HIS 27 HA HIS 27 -2.695 3.225 0.088 192 1HB HIS 27 1HB HIS 27 -3.580 6.036 0.580 193 2HB HIS 27 2HB HIS 27 -2.016 5.772 -0.203 194 HD1 HIS 27 1HD HIS 27 -3.358 3.059 -1.652 195 HD2 HIS 27 2HD HIS 27 -4.524 7.079 -1.917 196 HE1 HIS 27 1HE HIS 27 -4.661 3.282 -3.833 197 HE2 HIS 27 2HE HIS 27 -5.355 5.779 -3.951 198 H TYR 28 H TYR 28 -2.436 2.662 2.948 199 HA TYR 28 HA TYR 28 -0.419 4.218 4.115 200 1HB TYR 28 1HB TYR 28 -1.962 1.749 4.468 201 2HB TYR 28 2HB TYR 28 -0.276 1.427 4.883 202 HD1 TYR 28 1HD TYR 28 -3.015 3.898 5.563 203 HD2 TYR 28 2HD TYR 28 0.450 1.876 7.050 204 HE1 TYR 28 1HE TYR 28 -3.392 4.925 7.859 205 HE2 TYR 28 2HE TYR 28 0.062 2.909 9.341 206 HH TYR 28 HH TYR 28 -2.205 3.807 10.548 207 H CYS 29 H CYS 29 0.533 4.090 1.565 208 HA CYS 29 HA CYS 29 3.098 3.182 1.899 209 1HB CYS 29 1HB CYS 29 2.031 0.929 1.847 210 2HB CYS 29 2HB CYS 29 1.532 1.248 0.183 211 H THR 30 H THR 30 4.227 3.120 -0.434 212 HA THR 30 HA THR 30 2.724 4.890 -2.239 213 HB THR 30 HB THR 30 4.190 6.449 -1.273 214 HG1 THR 30 1HG THR 30 4.786 6.307 -3.506 215 1HG2 THR 30 1HG2 THR 30 6.364 5.971 -0.366 216 2HG2 THR 30 2HG2 THR 30 5.359 4.597 0.155 217 3HG2 THR 30 3HG2 THR 30 6.466 4.417 -1.228 218 H GLY 31 H GLY 31 5.432 2.548 -1.820 219 1HA GLY 31 1HA GLY 31 5.139 0.671 -3.479 220 2HA GLY 31 2HA GLY 31 5.182 1.929 -4.699 221 H LYS 32 H LYS 32 7.051 -0.250 -2.833 222 HA LYS 32 HA LYS 32 9.218 -0.674 -2.755 223 1HB LYS 32 1HB LYS 32 9.648 -0.526 -4.972 224 2HB LYS 32 2HB LYS 32 9.074 1.145 -5.111 225 1HG LYS 32 1HG LYS 32 11.539 0.592 -3.475 226 2HG LYS 32 2HG LYS 32 11.683 0.539 -5.240 227 1HD LYS 32 1HD LYS 32 10.178 2.863 -4.671 228 2HD LYS 32 2HD LYS 32 11.469 2.846 -3.459 229 1HE LYS 32 1HE LYS 32 12.752 3.776 -5.086 230 2HE LYS 32 2HE LYS 32 12.825 2.151 -5.784 231 1HZ LYS 32 1HZ LYS 32 11.208 2.707 -7.338 232 2HZ LYS 32 2HZ LYS 32 10.554 3.902 -6.446 233 3HZ LYS 32 3HZ LYS 32 12.013 4.131 -7.167 234 H SER 33 H SER 33 10.123 -0.216 -0.827 235 HA SER 33 HA SER 33 11.452 0.956 0.520 236 1HB SER 33 1HB SER 33 11.760 2.600 -1.500 237 2HB SER 33 2HB SER 33 10.601 3.622 -0.632 238 HG SER 33 HG SER 33 12.691 4.227 0.014 239 H CYS 34 H CYS 34 8.898 0.038 1.110 240 HA CYS 34 HA CYS 34 7.998 2.116 2.946 241 1HB CYS 34 1HB CYS 34 5.971 0.430 1.520 242 2HB CYS 34 2HB CYS 34 5.745 1.938 2.410 243 H ASP 35 H ASP 35 5.852 0.537 4.045 244 HA ASP 35 HA ASP 35 6.281 -2.072 4.451 245 1HB ASP 35 1HB ASP 35 8.490 -0.726 5.502 246 2HB ASP 35 2HB ASP 35 7.476 -0.993 6.929 247 HD2 ASP 35 HD ASP 35 7.251 -3.114 7.591 248 H CYS 36 H CYS 36 4.177 -0.130 4.398 249 HA CYS 36 HA CYS 36 3.229 -0.231 7.171 250 1HB CYS 36 1HB CYS 36 3.474 1.986 5.396 251 2HB CYS 36 2HB CYS 36 1.756 1.692 5.679 252 HA PRO 37 HA PRO 37 -0.001 -2.629 5.494 253 1HB PRO 37 1HB PRO 37 -1.905 -2.361 7.436 254 2HB PRO 37 2HB PRO 37 -0.548 -3.478 7.564 255 1HG PRO 37 1HG PRO 37 -0.977 -0.861 8.857 256 2HG PRO 37 2HG PRO 37 0.139 -2.186 9.347 257 1HD PRO 37 1HD PRO 37 0.775 0.292 8.060 258 2HD PRO 37 2HD PRO 37 1.884 -1.047 8.377 259 H LEU 38 H LEU 38 -1.245 -2.333 3.764 260 HA LEU 38 HA LEU 38 -2.567 0.266 3.665 261 1HB LEU 38 1HB LEU 38 -1.961 -1.781 1.541 262 2HB LEU 38 2HB LEU 38 -2.827 -0.261 1.259 263 HG LEU 38 HG LEU 38 -0.428 0.462 2.530 264 1HD1 LEU 38 1HD1 LEU 38 1.100 -0.604 0.618 265 2HD1 LEU 38 2HD1 LEU 38 0.862 -1.377 2.204 266 3HD1 LEU 38 3HD1 LEU 38 -0.073 -1.929 0.794 267 1HD2 LEU 38 1HD2 LEU 38 -0.507 0.621 -0.422 268 2HD2 LEU 38 2HD2 LEU 38 -1.912 1.307 0.430 269 3HD2 LEU 38 3HD2 LEU 38 -0.273 1.894 0.800 270 H TYR 39 H TYR 39 -3.892 -0.999 5.522 271 HA TYR 39 HA TYR 39 -6.459 -1.199 4.695 272 1HB TYR 39 1HB TYR 39 -4.822 -3.460 3.890 273 2HB TYR 39 2HB TYR 39 -5.920 -4.037 5.147 274 HD1 TYR 39 1HD TYR 39 -8.200 -2.049 4.359 275 HD2 TYR 39 2HD TYR 39 -5.788 -4.782 2.122 276 HE1 TYR 39 1HE TYR 39 -10.044 -2.265 2.624 277 HE2 TYR 39 2HE TYR 39 -7.640 -4.990 0.393 278 HH TYR 39 HH TYR 39 -10.557 -3.005 0.628 279 HA PRO 40 HA PRO 40 -5.805 -1.481 9.117 280 1HB PRO 40 1HB PRO 40 -7.451 0.588 9.804 281 2HB PRO 40 2HB PRO 40 -5.723 0.784 9.523 282 1HG PRO 40 1HG PRO 40 -8.015 1.480 7.803 283 2HG PRO 40 2HG PRO 40 -6.329 2.107 7.733 284 1HD PRO 40 1HD PRO 40 -7.594 0.206 6.007 285 2HD PRO 40 2HD PRO 40 -5.889 0.668 5.995 286 H GLY 41 H GLY 41 -6.971 -2.445 10.785 287 1HA GLY 41 1HA GLY 41 -9.810 -2.877 10.218 288 2HA GLY 41 2HA GLY 41 -8.773 -4.288 10.283 Start of MODEL 9 1 H CYS 1 H CYS 1 -4.921 -4.353 2.962 2 HA CYS 1 HA CYS 1 -3.055 -5.304 1.001 3 1HB CYS 1 1HB CYS 1 -1.603 -3.658 1.160 4 2HB CYS 1 2HB CYS 1 -2.499 -2.882 2.470 5 H THR 2 H THR 2 -1.204 -6.543 2.369 6 HA THR 2 HA THR 2 -1.366 -7.294 4.932 7 HB THR 2 HB THR 2 -3.656 -7.915 4.939 8 HG1 THR 2 1HG THR 2 -2.306 -10.301 3.916 9 1HG2 THR 2 1HG2 THR 2 -4.381 -9.644 3.034 10 2HG2 THR 2 2HG2 THR 2 -4.456 -7.893 2.717 11 3HG2 THR 2 3HG2 THR 2 -3.080 -8.850 2.114 12 H THR 3 H THR 3 0.838 -7.250 3.954 13 HA THR 3 HA THR 3 1.559 -9.989 3.274 14 HB THR 3 HB THR 3 2.391 -7.570 1.587 15 HG1 THR 3 1HG THR 3 0.146 -8.193 1.283 16 1HG2 THR 3 1HG2 THR 3 4.057 -9.146 1.107 17 2HG2 THR 3 2HG2 THR 3 3.036 -10.519 1.597 18 3HG2 THR 3 3HG2 THR 3 2.779 -9.737 0.019 19 H GLY 4 H GLY 4 3.798 -7.359 2.700 20 1HA GLY 4 1HA GLY 4 4.919 -7.689 5.404 21 2HA GLY 4 2HA GLY 4 5.916 -8.005 3.996 22 HA PRO 5 HA PRO 5 6.767 -3.740 3.983 23 1HB PRO 5 1HB PRO 5 8.142 -3.577 1.629 24 2HB PRO 5 2HB PRO 5 8.880 -4.098 3.141 25 1HG PRO 5 1HG PRO 5 8.011 -5.685 0.811 26 2HG PRO 5 2HG PRO 5 9.174 -6.138 2.109 27 1HD PRO 5 1HD PRO 5 6.467 -7.008 1.758 28 2HD PRO 5 2HD PRO 5 7.518 -7.358 3.137 29 H CYS 6 H CYS 6 4.602 -5.240 2.011 30 HA CYS 6 HA CYS 6 2.918 -4.511 0.810 31 1HB CYS 6 1HB CYS 6 1.859 -2.516 1.309 32 2HB CYS 6 2HB CYS 6 2.701 -2.939 2.801 33 H CYS 7 H CYS 7 5.533 -1.975 0.772 34 HA CYS 7 HA CYS 7 5.151 -1.039 -1.748 35 1HB CYS 7 1HB CYS 7 7.232 -0.986 0.227 36 2HB CYS 7 2HB CYS 7 7.949 -1.157 -1.376 37 H ARG 8 H ARG 8 4.758 -2.393 -3.495 38 HA ARG 8 HA ARG 8 5.331 -3.669 -5.173 39 1HB ARG 8 1HB ARG 8 7.567 -3.732 -5.512 40 2HB ARG 8 2HB ARG 8 7.886 -3.518 -3.782 41 1HG ARG 8 1HG ARG 8 8.879 -5.594 -4.259 42 2HG ARG 8 2HG ARG 8 7.303 -6.067 -3.599 43 1HD ARG 8 1HD ARG 8 6.582 -5.916 -6.168 44 2HD ARG 8 2HD ARG 8 8.312 -6.176 -6.444 45 HE ARG 8 HE ARG 8 7.620 -8.112 -4.575 46 1HH1 ARG 8 2HH2 ARG 8 6.412 -7.248 -7.792 47 2HH1 ARG 8 1HH2 ARG 8 5.908 -8.862 -8.171 48 1HH2 ARG 8 2HH1 ARG 8 6.965 -10.206 -5.073 49 2HH2 ARG 8 1HH1 ARG 8 6.222 -10.557 -6.620 50 H GLN 9 H GLN 9 4.418 -4.470 -2.152 51 HA GLN 9 HA GLN 9 4.024 -7.244 -2.910 52 1HB GLN 9 1HB GLN 9 5.195 -6.204 -0.327 53 2HB GLN 9 2HB GLN 9 4.310 -7.740 -0.347 54 1HG GLN 9 1HG GLN 9 5.956 -8.066 -2.510 55 2HG GLN 9 2HG GLN 9 6.979 -7.045 -1.489 56 1HE2 GLN 9 1HE2 GLN 9 5.114 -10.024 -1.671 57 2HE2 GLN 9 2HE2 GLN 9 5.952 -10.906 -0.438 58 H CYS 10 H CYS 10 3.212 -6.097 0.326 59 HA CYS 10 HA CYS 10 0.533 -6.686 0.045 60 1HB CYS 10 1HB CYS 10 0.670 -6.498 2.226 61 2HB CYS 10 2HB CYS 10 2.272 -5.770 2.085 62 H LYS 11 H LYS 11 2.421 -4.014 -1.106 63 HA LYS 11 HA LYS 11 0.069 -2.292 -1.296 64 1HB LYS 11 1HB LYS 11 1.458 -0.586 -1.059 65 2HB LYS 11 2HB LYS 11 2.714 -1.765 -0.638 66 1HG LYS 11 1HG LYS 11 3.674 -0.485 -2.379 67 2HG LYS 11 2HG LYS 11 3.116 -1.951 -3.204 68 1HD LYS 11 1HD LYS 11 0.901 -0.539 -3.546 69 2HD LYS 11 2HD LYS 11 1.969 0.848 -3.268 70 1HE LYS 11 1HE LYS 11 3.448 -0.635 -5.054 71 2HE LYS 11 2HE LYS 11 1.802 -1.006 -5.592 72 1HZ LYS 11 1HZ LYS 11 1.605 1.073 -6.400 73 2HZ LYS 11 2HZ LYS 11 2.165 1.781 -5.044 74 3HZ LYS 11 3HZ LYS 11 3.227 1.213 -6.164 75 H LEU 12 H LEU 12 -0.882 -3.915 -2.844 76 HA LEU 12 HA LEU 12 0.427 -4.012 -5.422 77 1HB LEU 12 1HB LEU 12 -1.514 -5.439 -6.008 78 2HB LEU 12 2HB LEU 12 -0.498 -6.048 -4.688 79 HG LEU 12 HG LEU 12 -2.616 -4.523 -3.540 80 1HD1 LEU 12 1HD1 LEU 12 -4.207 -4.696 -5.127 81 2HD1 LEU 12 2HD1 LEU 12 -3.419 -6.077 -5.928 82 3HD1 LEU 12 3HD1 LEU 12 -4.394 -6.338 -4.462 83 1HD2 LEU 12 1HD2 LEU 12 -2.751 -6.289 -2.142 84 2HD2 LEU 12 2HD2 LEU 12 -2.742 -7.483 -3.461 85 3HD2 LEU 12 3HD2 LEU 12 -1.216 -6.743 -2.922 86 H LYS 13 H LYS 13 -0.958 -1.554 -3.923 87 HA LYS 13 HA LYS 13 -2.775 -0.847 -6.103 88 1HB LYS 13 1HB LYS 13 -2.660 1.068 -3.954 89 2HB LYS 13 2HB LYS 13 -4.036 0.125 -4.549 90 1HG LYS 13 1HG LYS 13 -3.870 -0.677 -2.378 91 2HG LYS 13 2HG LYS 13 -2.834 -1.847 -3.215 92 1HD LYS 13 1HD LYS 13 -2.130 -0.258 -1.025 93 2HD LYS 13 2HD LYS 13 -1.004 -1.158 -2.057 94 1HE LYS 13 1HE LYS 13 -0.222 1.108 -1.999 95 2HE LYS 13 2HE LYS 13 -0.971 0.899 -3.590 96 1HZ LYS 13 1HZ LYS 13 -2.197 2.684 -3.018 97 2HZ LYS 13 2HZ LYS 13 -3.010 1.742 -1.967 98 3HZ LYS 13 3HZ LYS 13 -1.704 2.598 -1.452 99 HA PRO 14 HA PRO 14 -0.174 2.321 -7.510 100 1HB PRO 14 1HB PRO 14 -1.592 4.657 -7.495 101 2HB PRO 14 2HB PRO 14 -1.800 3.411 -8.723 102 1HG PRO 14 1HG PRO 14 -3.494 4.094 -6.405 103 2HG PRO 14 2HG PRO 14 -3.939 3.179 -7.891 104 1HD PRO 14 1HD PRO 14 -3.433 2.166 -5.259 105 2HD PRO 14 2HD PRO 14 -3.711 1.211 -6.723 106 H ALA 15 H ALA 15 0.412 4.958 -7.134 107 HA ALA 15 HA ALA 15 1.783 4.731 -4.611 108 1HB ALA 15 1HB ALA 15 3.246 5.764 -6.000 109 2HB ALA 15 2HB ALA 15 1.959 6.309 -7.100 110 3HB ALA 15 3HB ALA 15 2.324 7.239 -5.627 111 H GLY 16 H GLY 16 0.921 5.378 -2.709 112 1HA GLY 16 1HA GLY 16 -1.255 7.375 -2.812 113 2HA GLY 16 2HA GLY 16 -1.082 6.116 -1.607 114 H THR 17 H THR 17 0.312 6.392 0.178 115 HA THR 17 HA THR 17 2.225 8.507 0.237 116 HB THR 17 HB THR 17 -0.432 8.807 1.729 117 HG1 THR 17 1HG THR 17 -0.676 9.981 -0.136 118 1HG2 THR 17 1HG2 THR 17 2.196 10.363 1.911 119 2HG2 THR 17 2HG2 THR 17 0.634 11.023 2.448 120 3HG2 THR 17 3HG2 THR 17 1.316 9.588 3.249 121 H THR 18 H THR 18 2.997 8.773 2.675 122 HA THR 18 HA THR 18 3.581 6.064 3.500 123 HB THR 18 HB THR 18 4.610 8.858 4.015 124 HG1 THR 18 1HG THR 18 6.206 7.819 2.882 125 1HG2 THR 18 1HG2 THR 18 4.304 7.596 6.294 126 2HG2 THR 18 2HG2 THR 18 5.524 6.465 5.663 127 3HG2 THR 18 3HG2 THR 18 5.936 8.181 5.891 128 H CYS 19 H CYS 19 2.397 4.926 4.887 129 HA CYS 19 HA CYS 19 0.724 4.508 6.293 130 1HB CYS 19 1HB CYS 19 2.258 6.478 7.992 131 2HB CYS 19 2HB CYS 19 1.157 5.228 8.579 132 H TRP 20 H TRP 20 -0.616 5.888 4.592 133 HA TRP 20 HA TRP 20 -1.744 8.215 5.991 134 1HB TRP 20 1HB TRP 20 -0.567 8.396 3.667 135 2HB TRP 20 2HB TRP 20 -2.085 7.736 3.055 136 HD1 TRP 20 HD TRP 20 -0.650 10.912 4.692 137 HE1 TRP 20 1HE TRP 20 -2.326 12.939 4.484 138 HE3 TRP 20 3HE TRP 20 -4.534 8.194 2.853 139 HZ2 TRP 20 2HZ TRP 20 -5.028 13.174 3.595 140 HZ3 TRP 20 3HZ TRP 20 -6.656 9.399 2.342 141 HH2 TRP 20 HH TRP 20 -6.939 11.803 2.684 142 H LYS 21 H LYS 21 -2.855 6.022 3.320 143 HA LYS 21 HA LYS 21 -4.484 4.466 3.351 144 1HB LYS 21 1HB LYS 21 -5.423 3.660 5.240 145 2HB LYS 21 2HB LYS 21 -4.059 4.512 5.984 146 1HG LYS 21 1HG LYS 21 -5.870 6.536 5.873 147 2HG LYS 21 2HG LYS 21 -6.983 5.162 6.009 148 1HD LYS 21 1HD LYS 21 -4.896 4.685 7.876 149 2HD LYS 21 2HD LYS 21 -5.315 6.398 8.053 150 1HE LYS 21 1HE LYS 21 -7.290 5.893 9.039 151 2HE LYS 21 2HE LYS 21 -7.702 4.701 7.797 152 1HZ LYS 21 1HZ LYS 21 -6.193 3.139 8.980 153 2HZ LYS 21 2HZ LYS 21 -5.957 4.241 10.156 154 3HZ LYS 21 3HZ LYS 21 -7.467 3.648 9.888 155 H THR 22 H THR 22 -6.086 4.882 1.933 156 HA THR 22 HA THR 22 -7.188 7.528 1.815 157 HB THR 22 HB THR 22 -8.307 6.563 -0.213 158 HG1 THR 22 1HG THR 22 -7.934 4.351 1.334 159 1HG2 THR 22 1HG2 THR 22 -6.338 6.671 -1.368 160 2HG2 THR 22 2HG2 THR 22 -5.483 6.712 0.192 161 3HG2 THR 22 3HG2 THR 22 -5.779 5.156 -0.618 162 H SER 23 H SER 23 -9.584 5.278 0.958 163 HA SER 23 HA SER 23 -10.764 5.179 3.558 164 1HB SER 23 1HB SER 23 -11.383 7.350 1.804 165 2HB SER 23 2HB SER 23 -12.806 6.295 1.853 166 HG SER 23 HG SER 23 -11.543 7.782 3.943 167 H LEU 24 H LEU 24 -9.826 3.554 1.052 168 HA LEU 24 HA LEU 24 -12.064 1.740 1.126 169 1HB LEU 24 1HB LEU 24 -12.679 3.287 -0.659 170 2HB LEU 24 2HB LEU 24 -11.152 2.943 -1.491 171 HG LEU 24 HG LEU 24 -12.587 1.596 -2.652 172 1HD1 LEU 24 1HD1 LEU 24 -10.786 0.214 -1.655 173 2HD1 LEU 24 2HD1 LEU 24 -11.903 -0.246 -0.347 174 3HD1 LEU 24 3HD1 LEU 24 -12.261 -0.710 -2.026 175 1HD2 LEU 24 1HD2 LEU 24 -14.130 1.076 -0.096 176 2HD2 LEU 24 2HD2 LEU 24 -14.601 2.156 -1.430 177 3HD2 LEU 24 3HD2 LEU 24 -14.521 0.398 -1.696 178 H THR 25 H THR 25 -9.204 2.307 -1.043 179 HA THR 25 HA THR 25 -8.395 -0.422 -0.709 180 HB THR 25 HB THR 25 -7.385 2.042 -2.189 181 HG1 THR 25 1HG THR 25 -8.132 0.685 -3.904 182 1HG2 THR 25 1HG2 THR 25 -6.173 -0.702 -2.589 183 2HG2 THR 25 2HG2 THR 25 -5.497 0.893 -2.995 184 3HG2 THR 25 3HG2 THR 25 -5.509 0.336 -1.305 185 H SER 26 H SER 26 -6.902 2.768 0.175 186 HA SER 26 HA SER 26 -6.011 3.179 2.217 187 1HB SER 26 1HB SER 26 -6.781 0.834 2.980 188 2HB SER 26 2HB SER 26 -5.167 0.275 2.509 189 HG SER 26 HG SER 26 -5.518 0.956 4.827 190 H HIS 27 H HIS 27 -4.276 4.392 1.535 191 HA HIS 27 HA HIS 27 -2.375 3.374 -0.273 192 1HB HIS 27 1HB HIS 27 -2.465 5.867 1.431 193 2HB HIS 27 2HB HIS 27 -1.181 5.536 0.263 194 HD1 HIS 27 1HD HIS 27 -3.529 4.210 -1.733 195 HD2 HIS 27 2HD HIS 27 -3.223 8.101 -0.195 196 HE1 HIS 27 1HE HIS 27 -4.876 5.707 -3.300 197 HE2 HIS 27 2HE HIS 27 -4.653 8.094 -2.309 198 H TYR 28 H TYR 28 -1.390 4.921 2.817 199 HA TYR 28 HA TYR 28 0.310 4.406 4.172 200 1HB TYR 28 1HB TYR 28 -1.749 2.301 4.046 201 2HB TYR 28 2HB TYR 28 -0.200 1.592 4.518 202 HD1 TYR 28 1HD TYR 28 -2.140 4.711 5.345 203 HD2 TYR 28 2HD TYR 28 0.061 1.342 6.801 204 HE1 TYR 28 1HE TYR 28 -2.528 5.481 7.737 205 HE2 TYR 28 2HE TYR 28 -0.335 2.124 9.188 206 HH TYR 28 HH TYR 28 -2.130 5.127 9.826 207 H CYS 29 H CYS 29 1.051 4.203 1.376 208 HA CYS 29 HA CYS 29 3.480 2.907 1.650 209 1HB CYS 29 1HB CYS 29 1.949 0.890 1.538 210 2HB CYS 29 2HB CYS 29 1.643 1.323 -0.145 211 H THR 30 H THR 30 3.067 2.042 -1.404 212 HA THR 30 HA THR 30 2.237 4.063 -2.983 213 HB THR 30 HB THR 30 4.699 4.802 -1.463 214 HG1 THR 30 1HG THR 30 3.013 6.271 -1.349 215 1HG2 THR 30 1HG2 THR 30 5.712 6.045 -3.284 216 2HG2 THR 30 2HG2 THR 30 5.543 4.372 -3.869 217 3HG2 THR 30 3HG2 THR 30 4.386 5.618 -4.392 218 H GLY 31 H GLY 31 4.670 1.627 -2.208 219 1HA GLY 31 1HA GLY 31 4.820 -0.226 -3.722 220 2HA GLY 31 2HA GLY 31 4.683 0.886 -5.069 221 H LYS 32 H LYS 32 6.843 -0.809 -3.001 222 HA LYS 32 HA LYS 32 9.046 -0.965 -2.956 223 1HB LYS 32 1HB LYS 32 8.894 0.832 -5.381 224 2HB LYS 32 2HB LYS 32 10.394 0.098 -4.790 225 1HG LYS 32 1HG LYS 32 9.726 -1.487 -6.346 226 2HG LYS 32 2HG LYS 32 8.948 -2.141 -4.895 227 1HD LYS 32 1HD LYS 32 7.320 -2.160 -6.674 228 2HD LYS 32 2HD LYS 32 6.850 -0.864 -5.560 229 1HE LYS 32 1HE LYS 32 8.706 0.002 -7.695 230 2HE LYS 32 2HE LYS 32 7.160 -0.600 -8.313 231 1HZ LYS 32 1HZ LYS 32 7.026 1.765 -7.814 232 2HZ LYS 32 2HZ LYS 32 6.057 0.968 -6.776 233 3HZ LYS 32 3HZ LYS 32 7.535 1.487 -6.275 234 H SER 33 H SER 33 9.928 -0.167 -1.130 235 HA SER 33 HA SER 33 11.127 1.312 0.020 236 1HB SER 33 1HB SER 33 11.084 2.733 -2.241 237 2HB SER 33 2HB SER 33 9.964 3.747 -1.313 238 HG SER 33 HG SER 33 12.123 4.495 -1.039 239 H CYS 34 H CYS 34 8.698 0.181 0.783 240 HA CYS 34 HA CYS 34 7.570 2.361 2.361 241 1HB CYS 34 1HB CYS 34 5.877 0.215 1.090 242 2HB CYS 34 2HB CYS 34 5.326 1.598 2.039 243 H ASP 35 H ASP 35 5.635 0.522 3.632 244 HA ASP 35 HA ASP 35 6.392 -1.845 4.441 245 1HB ASP 35 1HB ASP 35 7.669 -1.234 6.668 246 2HB ASP 35 2HB ASP 35 8.578 -1.417 5.160 247 HD2 ASP 35 HD ASP 35 9.519 0.963 7.349 248 H CYS 36 H CYS 36 4.092 -0.190 4.310 249 HA CYS 36 HA CYS 36 3.309 -0.128 7.128 250 1HB CYS 36 1HB CYS 36 3.545 2.110 5.432 251 2HB CYS 36 2HB CYS 36 1.814 1.805 5.611 252 HA PRO 37 HA PRO 37 0.006 -2.508 5.575 253 1HB PRO 37 1HB PRO 37 -1.856 -2.185 7.546 254 2HB PRO 37 2HB PRO 37 -0.506 -3.311 7.670 255 1HG PRO 37 1HG PRO 37 -0.890 -0.666 8.919 256 2HG PRO 37 2HG PRO 37 0.227 -1.990 9.414 257 1HD PRO 37 1HD PRO 37 0.855 0.457 8.065 258 2HD PRO 37 2HD PRO 37 1.961 -0.885 8.387 259 H LEU 38 H LEU 38 -1.466 -2.354 3.990 260 HA LEU 38 HA LEU 38 -2.847 0.239 3.939 261 1HB LEU 38 1HB LEU 38 -2.794 -1.052 1.392 262 2HB LEU 38 2HB LEU 38 -2.173 0.539 1.866 263 HG LEU 38 HG LEU 38 -0.623 -2.025 2.270 264 1HD1 LEU 38 1HD1 LEU 38 -1.224 -1.703 -0.136 265 2HD1 LEU 38 2HD1 LEU 38 -0.359 -0.149 -0.092 266 3HD1 LEU 38 3HD1 LEU 38 0.522 -1.667 0.200 267 1HD2 LEU 38 1HD2 LEU 38 0.288 0.863 2.119 268 2HD2 LEU 38 2HD2 LEU 38 0.058 -0.073 3.616 269 3HD2 LEU 38 3HD2 LEU 38 1.304 -0.562 2.442 270 H TYR 39 H TYR 39 -3.995 -1.569 5.580 271 HA TYR 39 HA TYR 39 -6.260 -2.500 3.962 272 1HB TYR 39 1HB TYR 39 -6.043 -4.636 4.929 273 2HB TYR 39 2HB TYR 39 -4.341 -4.164 4.999 274 HD1 TYR 39 1HD TYR 39 -3.884 -2.600 7.240 275 HD2 TYR 39 2HD TYR 39 -6.836 -5.669 6.825 276 HE1 TYR 39 1HE TYR 39 -3.921 -2.914 9.762 277 HE2 TYR 39 2HE TYR 39 -6.864 -5.972 9.349 278 HH TYR 39 HH TYR 39 -5.363 -5.593 11.223 279 HA PRO 40 HA PRO 40 -8.680 -0.732 7.082 280 1HB PRO 40 1HB PRO 40 -10.861 -2.371 7.222 281 2HB PRO 40 2HB PRO 40 -10.643 -1.161 5.959 282 1HG PRO 40 1HG PRO 40 -10.296 -4.091 5.860 283 2HG PRO 40 2HG PRO 40 -10.546 -2.942 4.494 284 1HD PRO 40 1HD PRO 40 -8.126 -4.237 5.315 285 2HD PRO 40 2HD PRO 40 -8.288 -2.995 4.067 286 H GLY 41 H GLY 41 -9.620 -0.786 9.262 287 1HA GLY 41 1HA GLY 41 -7.965 -2.527 10.881 288 2HA GLY 41 2HA GLY 41 -9.020 -1.237 11.423 Start of MODEL 10 1 H CYS 1 H CYS 1 -1.407 -4.084 2.043 2 HA CYS 1 HA CYS 1 -4.045 -4.054 2.780 3 1HB CYS 1 1HB CYS 1 -4.274 -6.109 1.681 4 2HB CYS 1 2HB CYS 1 -3.002 -5.234 0.825 5 H THR 2 H THR 2 -1.273 -6.016 4.065 6 HA THR 2 HA THR 2 -1.847 -5.937 6.685 7 HB THR 2 HB THR 2 -4.057 -6.781 6.560 8 HG1 THR 2 1HG THR 2 -3.726 -8.856 7.498 9 1HG2 THR 2 1HG2 THR 2 -4.452 -7.481 4.334 10 2HG2 THR 2 2HG2 THR 2 -2.957 -8.445 4.273 11 3HG2 THR 2 3HG2 THR 2 -4.364 -9.042 5.185 12 H THR 3 H THR 3 -0.580 -7.459 3.871 13 HA THR 3 HA THR 3 0.732 -9.648 5.006 14 HB THR 3 HB THR 3 1.524 -7.834 2.664 15 HG1 THR 3 1HG THR 3 0.160 -9.419 1.555 16 1HG2 THR 3 1HG2 THR 3 1.961 -10.835 2.928 17 2HG2 THR 3 2HG2 THR 3 2.746 -9.696 1.808 18 3HG2 THR 3 3HG2 THR 3 3.184 -9.692 3.533 19 H GLY 4 H GLY 4 3.034 -7.396 3.697 20 1HA GLY 4 1HA GLY 4 4.132 -6.992 6.415 21 2HA GLY 4 2HA GLY 4 5.118 -7.435 5.037 22 HA PRO 5 HA PRO 5 5.515 -3.093 4.596 23 1HB PRO 5 1HB PRO 5 7.459 -3.121 2.676 24 2HB PRO 5 2HB PRO 5 7.805 -3.227 4.400 25 1HG PRO 5 1HG PRO 5 7.806 -5.333 2.333 26 2HG PRO 5 2HG PRO 5 8.611 -5.339 3.944 27 1HD PRO 5 1HD PRO 5 6.228 -6.709 3.137 28 2HD PRO 5 2HD PRO 5 6.891 -6.621 4.774 29 H CYS 6 H CYS 6 3.712 -5.004 2.937 30 HA CYS 6 HA CYS 6 2.362 -4.817 1.216 31 1HB CYS 6 1HB CYS 6 1.366 -2.711 0.736 32 2HB CYS 6 2HB CYS 6 1.649 -2.818 2.476 33 H CYS 7 H CYS 7 5.131 -2.488 0.936 34 HA CYS 7 HA CYS 7 5.227 -2.190 -1.751 35 1HB CYS 7 1HB CYS 7 7.299 -2.234 0.392 36 2HB CYS 7 2HB CYS 7 7.835 -2.194 -1.290 37 H ARG 8 H ARG 8 5.312 -3.671 -3.403 38 HA ARG 8 HA ARG 8 6.013 -5.362 -4.590 39 1HB ARG 8 1HB ARG 8 7.569 -6.491 -2.231 40 2HB ARG 8 2HB ARG 8 7.858 -6.788 -3.953 41 1HG ARG 8 1HG ARG 8 7.964 -3.947 -3.027 42 2HG ARG 8 2HG ARG 8 9.287 -4.997 -2.491 43 1HD ARG 8 1HD ARG 8 9.977 -3.986 -4.566 44 2HD ARG 8 2HD ARG 8 9.591 -5.672 -4.938 45 HE ARG 8 HE ARG 8 7.327 -3.845 -5.274 46 1HH1 ARG 8 2HH2 ARG 8 10.168 -5.242 -6.866 47 2HH1 ARG 8 1HH2 ARG 8 9.556 -4.981 -8.464 48 1HH2 ARG 8 2HH1 ARG 8 6.534 -3.508 -7.351 49 2HH2 ARG 8 1HH1 ARG 8 7.476 -3.988 -8.747 50 H GLN 9 H GLN 9 4.762 -5.703 -1.325 51 HA GLN 9 HA GLN 9 3.867 -8.397 -1.855 52 1HB GLN 9 1HB GLN 9 4.148 -6.650 0.547 53 2HB GLN 9 2HB GLN 9 2.832 -7.837 0.593 54 1HG GLN 9 1HG GLN 9 4.441 -9.644 0.093 55 2HG GLN 9 2HG GLN 9 5.761 -8.468 -0.006 56 1HE2 GLN 9 1HE2 GLN 9 6.182 -10.425 1.659 57 2HE2 GLN 9 2HE2 GLN 9 5.980 -9.981 3.322 58 H CYS 10 H CYS 10 2.083 -5.828 -0.069 59 HA CYS 10 HA CYS 10 -0.032 -6.069 -2.079 60 1HB CYS 10 1HB CYS 10 -1.640 -5.750 -0.154 61 2HB CYS 10 2HB CYS 10 -0.880 -7.336 -0.317 62 H LYS 11 H LYS 11 0.794 -4.095 -3.060 63 HA LYS 11 HA LYS 11 -0.306 -1.757 -1.984 64 1HB LYS 11 1HB LYS 11 1.407 -0.606 -1.047 65 2HB LYS 11 2HB LYS 11 1.877 -2.243 -0.561 66 1HG LYS 11 1HG LYS 11 2.991 -0.519 -2.789 67 2HG LYS 11 2HG LYS 11 3.867 -1.279 -1.449 68 1HD LYS 11 1HD LYS 11 4.103 -3.235 -2.580 69 2HD LYS 11 2HD LYS 11 2.432 -3.213 -3.168 70 1HE LYS 11 1HE LYS 11 3.398 -1.218 -4.681 71 2HE LYS 11 2HE LYS 11 4.927 -2.068 -4.408 72 1HZ LYS 11 1HZ LYS 11 4.142 -3.921 -5.539 73 2HZ LYS 11 2HZ LYS 11 2.568 -3.605 -5.261 74 3HZ LYS 11 3HZ LYS 11 3.400 -2.699 -6.353 75 H LEU 12 H LEU 12 -0.176 -3.456 -4.410 76 HA LEU 12 HA LEU 12 1.453 -2.363 -6.360 77 1HB LEU 12 1HB LEU 12 -0.311 -3.228 -7.921 78 2HB LEU 12 2HB LEU 12 0.414 -4.401 -6.809 79 HG LEU 12 HG LEU 12 -2.003 -3.220 -5.704 80 1HD1 LEU 12 1HD1 LEU 12 -2.881 -2.925 -7.856 81 2HD1 LEU 12 2HD1 LEU 12 -2.159 -4.438 -8.458 82 3HD1 LEU 12 3HD1 LEU 12 -3.526 -4.494 -7.319 83 1HD2 LEU 12 1HD2 LEU 12 -0.569 -5.618 -5.576 84 2HD2 LEU 12 2HD2 LEU 12 -2.087 -5.218 -4.737 85 3HD2 LEU 12 3HD2 LEU 12 -2.133 -6.049 -6.310 86 H LYS 13 H LYS 13 -1.007 -0.863 -4.535 87 HA LYS 13 HA LYS 13 -2.424 0.702 -6.179 88 1HB LYS 13 1HB LYS 13 -2.001 2.512 -4.335 89 2HB LYS 13 2HB LYS 13 -2.890 1.027 -3.955 90 1HG LYS 13 1HG LYS 13 -0.087 0.500 -3.625 91 2HG LYS 13 2HG LYS 13 -0.448 2.018 -2.784 92 1HD LYS 13 1HD LYS 13 -0.714 -0.187 -1.463 93 2HD LYS 13 2HD LYS 13 -2.053 0.970 -1.368 94 1HE LYS 13 1HE LYS 13 -2.549 -0.660 -3.648 95 2HE LYS 13 2HE LYS 13 -2.053 -1.766 -2.357 96 1HZ LYS 13 1HZ LYS 13 -4.167 -1.533 -1.650 97 2HZ LYS 13 2HZ LYS 13 -3.780 -0.038 -1.136 98 3HZ LYS 13 3HZ LYS 13 -4.424 -0.243 -2.635 99 HA PRO 14 HA PRO 14 0.370 3.082 -8.460 100 1HB PRO 14 1HB PRO 14 -1.306 5.035 -9.376 101 2HB PRO 14 2HB PRO 14 -1.189 3.439 -10.116 102 1HG PRO 14 1HG PRO 14 -3.261 4.559 -8.341 103 2HG PRO 14 2HG PRO 14 -3.380 3.151 -9.457 104 1HD PRO 14 1HD PRO 14 -3.133 3.146 -6.604 105 2HD PRO 14 2HD PRO 14 -3.084 1.736 -7.668 106 H ALA 15 H ALA 15 0.692 3.434 -5.759 107 HA ALA 15 HA ALA 15 1.695 4.872 -4.400 108 1HB ALA 15 1HB ALA 15 3.119 6.232 -5.478 109 2HB ALA 15 2HB ALA 15 2.232 5.915 -6.989 110 3HB ALA 15 3HB ALA 15 1.781 7.300 -5.966 111 H GLY 16 H GLY 16 0.661 5.768 -2.683 112 1HA GLY 16 1HA GLY 16 -1.641 7.534 -3.255 113 2HA GLY 16 2HA GLY 16 -1.734 6.239 -2.078 114 H THR 17 H THR 17 -0.050 6.264 -0.261 115 HA THR 17 HA THR 17 1.239 8.770 0.264 116 HB THR 17 HB THR 17 -1.001 7.949 2.163 117 HG1 THR 17 1HG THR 17 -2.203 8.572 0.386 118 1HG2 THR 17 1HG2 THR 17 -0.005 9.685 3.304 119 2HG2 THR 17 2HG2 THR 17 0.919 10.206 1.876 120 3HG2 THR 17 3HG2 THR 17 -0.774 10.719 2.077 121 H THR 18 H THR 18 1.500 8.459 3.073 122 HA THR 18 HA THR 18 2.719 5.792 3.269 123 HB THR 18 HB THR 18 3.966 8.520 3.417 124 HG1 THR 18 1HG THR 18 5.749 6.915 2.790 125 1HG2 THR 18 1HG2 THR 18 4.347 7.899 5.741 126 2HG2 THR 18 2HG2 THR 18 4.644 6.201 5.295 127 3HG2 THR 18 3HG2 THR 18 5.824 7.459 4.848 128 H CYS 19 H CYS 19 2.135 4.684 5.030 129 HA CYS 19 HA CYS 19 0.883 4.264 6.819 130 1HB CYS 19 1HB CYS 19 2.276 6.447 8.288 131 2HB CYS 19 2HB CYS 19 1.967 4.776 8.768 132 H TRP 20 H TRP 20 -0.982 5.352 5.496 133 HA TRP 20 HA TRP 20 -2.112 7.439 7.199 134 1HB TRP 20 1HB TRP 20 -1.304 8.795 5.508 135 2HB TRP 20 2HB TRP 20 -1.645 7.616 4.240 136 HD1 TRP 20 HD TRP 20 -3.477 8.723 2.741 137 HE1 TRP 20 1HE TRP 20 -5.787 9.965 3.035 138 HE3 TRP 20 3HE TRP 20 -3.350 8.863 7.822 139 HZ2 TRP 20 2HZ TRP 20 -7.269 10.847 5.310 140 HZ3 TRP 20 3HZ TRP 20 -5.268 9.932 9.002 141 HH2 TRP 20 HH TRP 20 -7.180 10.903 7.830 142 H LYS 21 H LYS 21 -2.971 5.795 4.073 143 HA LYS 21 HA LYS 21 -4.384 4.005 3.845 144 1HB LYS 21 1HB LYS 21 -5.564 3.043 5.535 145 2HB LYS 21 2HB LYS 21 -4.294 3.841 6.477 146 1HG LYS 21 1HG LYS 21 -6.123 5.853 6.336 147 2HG LYS 21 2HG LYS 21 -7.214 4.459 6.273 148 1HD LYS 21 1HD LYS 21 -5.326 3.849 8.285 149 2HD LYS 21 2HD LYS 21 -5.726 5.557 8.538 150 1HE LYS 21 1HE LYS 21 -8.210 4.435 8.052 151 2HE LYS 21 2HE LYS 21 -7.391 3.129 8.921 152 1HZ LYS 21 1HZ LYS 21 -6.766 5.401 10.321 153 2HZ LYS 21 2HZ LYS 21 -8.327 5.640 9.923 154 3HZ LYS 21 3HZ LYS 21 -7.888 4.268 10.715 155 H THR 22 H THR 22 -6.191 4.130 2.538 156 HA THR 22 HA THR 22 -7.258 6.786 2.167 157 HB THR 22 HB THR 22 -8.127 5.833 0.117 158 HG1 THR 22 1HG THR 22 -8.110 3.407 0.024 159 1HG2 THR 22 1HG2 THR 22 -5.669 4.114 0.710 160 2HG2 THR 22 2HG2 THR 22 -6.238 4.683 -0.879 161 3HG2 THR 22 3HG2 THR 22 -5.548 5.838 0.286 162 H SER 23 H SER 23 -8.902 3.568 2.472 163 HA SER 23 HA SER 23 -10.298 3.806 4.638 164 1HB SER 23 1HB SER 23 -11.230 5.919 2.780 165 2HB SER 23 2HB SER 23 -12.532 4.949 3.494 166 HG SER 23 HG SER 23 -10.804 6.832 4.668 167 H LEU 24 H LEU 24 -10.143 3.115 1.237 168 HA LEU 24 HA LEU 24 -12.172 1.017 1.586 169 1HB LEU 24 1HB LEU 24 -13.198 2.170 -0.015 170 2HB LEU 24 2HB LEU 24 -11.720 2.985 -0.556 171 HG LEU 24 HG LEU 24 -11.082 0.838 -1.708 172 1HD1 LEU 24 1HD1 LEU 24 -12.418 -0.735 -0.455 173 2HD1 LEU 24 2HD1 LEU 24 -13.920 0.057 -0.991 174 3HD1 LEU 24 3HD1 LEU 24 -12.888 -0.788 -2.171 175 1HD2 LEU 24 1HD2 LEU 24 -13.046 2.814 -2.459 176 2HD2 LEU 24 2HD2 LEU 24 -11.796 2.018 -3.447 177 3HD2 LEU 24 3HD2 LEU 24 -13.393 1.255 -3.247 178 H THR 25 H THR 25 -9.272 1.881 -0.436 179 HA THR 25 HA THR 25 -8.594 -0.932 -0.598 180 HB THR 25 HB THR 25 -7.790 1.666 -1.900 181 HG1 THR 25 1HG THR 25 -9.353 -0.139 -2.591 182 1HG2 THR 25 1HG2 THR 25 -5.591 0.601 -1.216 183 2HG2 THR 25 2HG2 THR 25 -6.117 -0.896 -2.022 184 3HG2 THR 25 3HG2 THR 25 -5.853 0.583 -2.977 185 H SER 26 H SER 26 -6.602 1.979 0.240 186 HA SER 26 HA SER 26 -5.790 2.052 2.492 187 1HB SER 26 1HB SER 26 -5.190 -0.864 1.890 188 2HB SER 26 2HB SER 26 -4.430 0.002 3.237 189 HG SER 26 HG SER 26 -6.716 -1.274 3.324 190 H HIS 27 H HIS 27 -4.115 3.463 2.144 191 HA HIS 27 HA HIS 27 -2.229 2.819 0.040 192 1HB HIS 27 1HB HIS 27 -2.953 5.312 1.557 193 2HB HIS 27 2HB HIS 27 -1.453 5.226 0.627 194 HD1 HIS 27 1HD HIS 27 -3.486 7.277 -0.261 195 HD2 HIS 27 2HD HIS 27 -3.493 3.326 -1.672 196 HE1 HIS 27 1HE HIS 27 -4.733 7.315 -2.487 197 HE2 HIS 27 2HE HIS 27 -4.713 4.857 -3.314 198 H TYR 28 H TYR 28 -1.352 4.809 2.849 199 HA TYR 28 HA TYR 28 0.199 4.582 4.416 200 1HB TYR 28 1HB TYR 28 -1.091 1.981 4.055 201 2HB TYR 28 2HB TYR 28 0.617 1.706 4.412 202 HD1 TYR 28 1HD TYR 28 -2.226 3.828 5.658 203 HD2 TYR 28 2HD TYR 28 1.187 1.443 6.641 204 HE1 TYR 28 1HE TYR 28 -2.699 4.159 8.135 205 HE2 TYR 28 2HE TYR 28 0.703 1.782 9.114 206 HH TYR 28 HH TYR 28 -1.095 4.112 10.294 207 H CYS 29 H CYS 29 0.664 3.964 1.247 208 HA CYS 29 HA CYS 29 3.377 4.351 1.306 209 1HB CYS 29 1HB CYS 29 4.262 2.176 0.586 210 2HB CYS 29 2HB CYS 29 3.698 2.184 2.259 211 H THR 30 H THR 30 4.021 2.766 -1.101 212 HA THR 30 HA THR 30 1.904 3.529 -2.969 213 HB THR 30 HB THR 30 3.646 4.673 -4.386 214 HG1 THR 30 1HG THR 30 5.132 4.107 -1.918 215 1HG2 THR 30 1HG2 THR 30 3.305 6.660 -3.301 216 2HG2 THR 30 2HG2 THR 30 2.476 5.721 -2.036 217 3HG2 THR 30 3HG2 THR 30 4.207 6.100 -1.873 218 H GLY 31 H GLY 31 5.295 2.228 -2.918 219 1HA GLY 31 1HA GLY 31 4.667 -0.394 -3.494 220 2HA GLY 31 2HA GLY 31 4.746 0.414 -5.047 221 H LYS 32 H LYS 32 6.556 -1.242 -2.734 222 HA LYS 32 HA LYS 32 8.712 -1.524 -2.339 223 1HB LYS 32 1HB LYS 32 10.061 -1.839 -4.180 224 2HB LYS 32 2HB LYS 32 8.437 -1.985 -4.877 225 1HG LYS 32 1HG LYS 32 9.630 -0.568 -6.366 226 2HG LYS 32 2HG LYS 32 8.629 0.540 -5.412 227 1HD LYS 32 1HD LYS 32 10.517 1.656 -4.897 228 2HD LYS 32 2HD LYS 32 11.026 0.256 -3.937 229 1HE LYS 32 1HE LYS 32 11.807 -0.670 -6.302 230 2HE LYS 32 2HE LYS 32 11.800 1.040 -6.752 231 1HZ LYS 32 1HZ LYS 32 13.880 0.923 -5.858 232 2HZ LYS 32 2HZ LYS 32 13.118 1.126 -4.434 233 3HZ LYS 32 3HZ LYS 32 13.509 -0.390 -4.938 234 H SER 33 H SER 33 10.479 -0.477 -1.398 235 HA SER 33 HA SER 33 11.836 1.196 -0.903 236 1HB SER 33 1HB SER 33 11.339 2.171 -3.205 237 2HB SER 33 2HB SER 33 10.073 3.147 -2.438 238 HG SER 33 HG SER 33 11.571 4.475 -1.668 239 H CYS 34 H CYS 34 8.287 1.657 -0.878 240 HA CYS 34 HA CYS 34 8.114 3.602 1.066 241 1HB CYS 34 1HB CYS 34 5.862 2.977 1.334 242 2HB CYS 34 2HB CYS 34 6.264 2.734 -0.368 243 H ASP 35 H ASP 35 6.483 2.258 3.115 244 HA ASP 35 HA ASP 35 7.772 0.111 4.247 245 1HB ASP 35 1HB ASP 35 9.531 2.064 4.452 246 2HB ASP 35 2HB ASP 35 8.487 2.639 5.761 247 HD2 ASP 35 HD ASP 35 9.170 -1.042 6.252 248 H CYS 36 H CYS 36 5.212 0.217 4.122 249 HA CYS 36 HA CYS 36 4.225 0.461 6.698 250 1HB CYS 36 1HB CYS 36 4.148 2.930 5.168 251 2HB CYS 36 2HB CYS 36 2.532 2.403 5.651 252 HA PRO 37 HA PRO 37 1.544 -2.062 4.318 253 1HB PRO 37 1HB PRO 37 0.051 -3.075 6.371 254 2HB PRO 37 2HB PRO 37 1.607 -3.748 5.886 255 1HG PRO 37 1HG PRO 37 0.913 -2.038 8.189 256 2HG PRO 37 2HG PRO 37 2.353 -3.096 7.970 257 1HD PRO 37 1HD PRO 37 2.193 -0.244 7.780 258 2HD PRO 37 2HD PRO 37 3.597 -1.248 7.398 259 H LEU 38 H LEU 38 -0.616 -2.249 3.518 260 HA LEU 38 HA LEU 38 -2.034 0.240 4.101 261 1HB LEU 38 1HB LEU 38 -3.229 -1.124 1.960 262 2HB LEU 38 2HB LEU 38 -2.264 0.362 1.920 263 HG LEU 38 HG LEU 38 -0.834 -2.263 1.932 264 1HD1 LEU 38 1HD1 LEU 38 -2.709 -1.390 -0.182 265 2HD1 LEU 38 2HD1 LEU 38 -1.094 -1.894 -0.736 266 3HD1 LEU 38 3HD1 LEU 38 -2.094 -3.011 0.222 267 1HD2 LEU 38 1HD2 LEU 38 0.375 -0.104 2.020 268 2HD2 LEU 38 2HD2 LEU 38 0.772 -1.072 0.579 269 3HD2 LEU 38 3HD2 LEU 38 -0.324 0.323 0.439 270 H TYR 39 H TYR 39 -2.476 -0.977 6.274 271 HA TYR 39 HA TYR 39 -4.791 -2.748 5.906 272 1HB TYR 39 1HB TYR 39 -2.716 -3.509 7.187 273 2HB TYR 39 2HB TYR 39 -2.927 -2.142 8.288 274 HD1 TYR 39 1HD TYR 39 -3.456 -3.048 10.370 275 HD2 TYR 39 2HD TYR 39 -5.423 -4.567 6.888 276 HE1 TYR 39 1HE TYR 39 -4.956 -4.487 11.836 277 HE2 TYR 39 2HE TYR 39 -6.917 -6.000 8.364 278 HH TYR 39 HH TYR 39 -6.649 -7.030 10.729 279 HA PRO 40 HA PRO 40 -7.080 0.665 7.413 280 1HB PRO 40 1HB PRO 40 -9.561 -0.427 7.071 281 2HB PRO 40 2HB PRO 40 -8.697 0.423 5.791 282 1HG PRO 40 1HG PRO 40 -9.108 -2.469 6.207 283 2HG PRO 40 2HG PRO 40 -8.662 -1.605 4.692 284 1HD PRO 40 1HD PRO 40 -6.986 -3.168 6.409 285 2HD PRO 40 2HD PRO 40 -6.467 -2.208 5.016 286 H GLY 41 H GLY 41 -5.847 -0.076 9.448 287 1HA GLY 41 1HA GLY 41 -7.777 -0.156 11.516 288 2HA GLY 41 2HA GLY 41 -7.097 -1.754 11.280 Start of MODEL 11 1 H CYS 1 H CYS 1 -1.703 -3.654 5.813 2 HA CYS 1 HA CYS 1 -0.633 -3.771 3.300 3 1HB CYS 1 1HB CYS 1 0.923 -3.867 4.964 4 2HB CYS 1 2HB CYS 1 0.022 -5.050 5.915 5 H THR 2 H THR 2 -1.368 -4.944 1.562 6 HA THR 2 HA THR 2 -3.015 -7.255 1.961 7 HB THR 2 HB THR 2 -1.940 -5.641 -0.381 8 HG1 THR 2 1HG THR 2 -3.964 -4.863 0.054 9 1HG2 THR 2 1HG2 THR 2 -3.695 -8.144 -0.570 10 2HG2 THR 2 2HG2 THR 2 -3.177 -7.102 -1.916 11 3HG2 THR 2 3HG2 THR 2 -1.983 -8.102 -1.056 12 H THR 3 H THR 3 0.397 -6.659 1.724 13 HA THR 3 HA THR 3 0.793 -9.556 1.364 14 HB THR 3 HB THR 3 2.500 -7.229 0.328 15 HG1 THR 3 1HG THR 3 0.406 -7.779 -0.758 16 1HG2 THR 3 1HG2 THR 3 3.152 -10.010 0.808 17 2HG2 THR 3 2HG2 THR 3 2.995 -9.766 -0.949 18 3HG2 THR 3 3HG2 THR 3 4.142 -8.779 -0.011 19 H GLY 4 H GLY 4 3.601 -7.623 1.874 20 1HA GLY 4 1HA GLY 4 3.501 -8.209 4.771 21 2HA GLY 4 2HA GLY 4 4.888 -8.627 3.785 22 HA PRO 5 HA PRO 5 6.363 -4.614 4.555 23 1HB PRO 5 1HB PRO 5 8.415 -4.519 2.756 24 2HB PRO 5 2HB PRO 5 8.548 -5.301 4.329 25 1HG PRO 5 1HG PRO 5 8.214 -6.481 1.647 26 2HG PRO 5 2HG PRO 5 8.824 -7.265 3.149 27 1HD PRO 5 1HD PRO 5 6.263 -7.558 1.902 28 2HD PRO 5 2HD PRO 5 6.758 -8.222 3.464 29 H CYS 6 H CYS 6 4.452 -5.371 2.121 30 HA CYS 6 HA CYS 6 3.501 -4.280 0.460 31 1HB CYS 6 1HB CYS 6 2.671 -2.114 0.924 32 2HB CYS 6 2HB CYS 6 2.689 -3.022 2.438 33 H CYS 7 H CYS 7 4.354 -1.167 0.224 34 HA CYS 7 HA CYS 7 5.491 -0.153 -1.404 35 1HB CYS 7 1HB CYS 7 7.106 -0.785 0.805 36 2HB CYS 7 2HB CYS 7 8.127 -1.015 -0.617 37 H ARG 8 H ARG 8 4.452 -2.329 -2.618 38 HA ARG 8 HA ARG 8 5.555 -2.796 -4.825 39 1HB ARG 8 1HB ARG 8 7.762 -3.329 -4.304 40 2HB ARG 8 2HB ARG 8 7.326 -4.181 -2.812 41 1HG ARG 8 1HG ARG 8 8.104 -5.785 -4.480 42 2HG ARG 8 2HG ARG 8 6.372 -6.041 -4.205 43 1HD ARG 8 1HD ARG 8 6.681 -6.111 -6.576 44 2HD ARG 8 2HD ARG 8 5.977 -4.520 -6.249 45 HE ARG 8 HE ARG 8 8.895 -4.495 -6.221 46 1HH1 ARG 8 2HH2 ARG 8 6.060 -4.342 -8.342 47 2HH1 ARG 8 1HH2 ARG 8 6.898 -3.510 -9.608 48 1HH2 ARG 8 2HH1 ARG 8 9.980 -3.414 -7.868 49 2HH2 ARG 8 1HH1 ARG 8 9.142 -2.976 -9.342 50 H GLN 9 H GLN 9 4.629 -4.602 -1.868 51 HA GLN 9 HA GLN 9 3.121 -6.428 -3.567 52 1HB GLN 9 1HB GLN 9 4.002 -6.733 -0.670 53 2HB GLN 9 2HB GLN 9 3.086 -7.943 -1.587 54 1HG GLN 9 1HG GLN 9 5.263 -7.363 -3.241 55 2HG GLN 9 2HG GLN 9 5.971 -7.330 -1.619 56 1HE2 GLN 9 1HE2 GLN 9 6.614 -9.171 -0.816 57 2HE2 GLN 9 2HE2 GLN 9 6.093 -10.759 -1.275 58 H CYS 10 H CYS 10 2.716 -5.485 -0.095 59 HA CYS 10 HA CYS 10 0.002 -5.529 -0.097 60 1HB CYS 10 1HB CYS 10 1.392 -3.448 1.531 61 2HB CYS 10 2HB CYS 10 0.080 -4.543 1.979 62 H LYS 11 H LYS 11 2.270 -2.890 -1.033 63 HA LYS 11 HA LYS 11 0.147 -1.016 -1.460 64 1HB LYS 11 1HB LYS 11 1.776 0.513 -1.638 65 2HB LYS 11 2HB LYS 11 2.769 -0.745 -0.883 66 1HG LYS 11 1HG LYS 11 4.117 -0.387 -2.687 67 2HG LYS 11 2HG LYS 11 2.978 -1.457 -3.521 68 1HD LYS 11 1HD LYS 11 1.662 0.863 -3.854 69 2HD LYS 11 2HD LYS 11 3.296 1.531 -3.689 70 1HE LYS 11 1HE LYS 11 3.805 0.896 -5.794 71 2HE LYS 11 2HE LYS 11 3.349 -0.780 -5.456 72 1HZ LYS 11 1HZ LYS 11 0.955 0.183 -5.736 73 2HZ LYS 11 2HZ LYS 11 1.687 1.390 -6.549 74 3HZ LYS 11 3HZ LYS 11 1.880 -0.165 -7.051 75 H LEU 12 H LEU 12 -0.360 -3.485 -2.794 76 HA LEU 12 HA LEU 12 0.460 -3.334 -5.495 77 1HB LEU 12 1HB LEU 12 -0.471 -5.325 -5.654 78 2HB LEU 12 2HB LEU 12 -0.621 -5.236 -3.889 79 HG LEU 12 HG LEU 12 -2.944 -4.182 -4.392 80 1HD1 LEU 12 1HD1 LEU 12 -3.636 -4.018 -6.491 81 2HD1 LEU 12 2HD1 LEU 12 -2.035 -4.576 -7.038 82 3HD1 LEU 12 3HD1 LEU 12 -3.341 -5.753 -6.762 83 1HD2 LEU 12 1HD2 LEU 12 -2.144 -6.657 -3.660 84 2HD2 LEU 12 2HD2 LEU 12 -3.846 -6.172 -3.841 85 3HD2 LEU 12 3HD2 LEU 12 -3.023 -7.039 -5.160 86 H LYS 13 H LYS 13 -1.601 -1.383 -3.645 87 HA LYS 13 HA LYS 13 -3.688 -0.958 -5.482 88 1HB LYS 13 1HB LYS 13 -2.876 1.260 -3.704 89 2HB LYS 13 2HB LYS 13 -4.465 0.514 -3.945 90 1HG LYS 13 1HG LYS 13 -4.088 -0.393 -1.893 91 2HG LYS 13 2HG LYS 13 -3.074 -1.554 -2.768 92 1HD LYS 13 1HD LYS 13 -2.322 0.646 -0.933 93 2HD LYS 13 2HD LYS 13 -1.452 -0.851 -1.309 94 1HE LYS 13 1HE LYS 13 -0.013 0.631 -2.319 95 2HE LYS 13 2HE LYS 13 -1.134 0.440 -3.676 96 1HZ LYS 13 1HZ LYS 13 -1.398 2.657 -3.501 97 2HZ LYS 13 2HZ LYS 13 -2.240 2.413 -2.129 98 3HZ LYS 13 3HZ LYS 13 -0.621 2.696 -2.052 99 HA PRO 14 HA PRO 14 -2.033 2.014 -8.177 100 1HB PRO 14 1HB PRO 14 -3.523 4.297 -8.004 101 2HB PRO 14 2HB PRO 14 -4.059 2.859 -8.870 102 1HG PRO 14 1HG PRO 14 -4.870 3.894 -6.229 103 2HG PRO 14 2HG PRO 14 -5.742 2.737 -7.298 104 1HD PRO 14 1HD PRO 14 -4.264 2.188 -4.907 105 2HD PRO 14 2HD PRO 14 -4.970 0.997 -6.008 106 H ALA 15 H ALA 15 -0.219 1.821 -6.370 107 HA ALA 15 HA ALA 15 1.408 2.857 -5.277 108 1HB ALA 15 1HB ALA 15 2.549 4.326 -6.605 109 2HB ALA 15 2HB ALA 15 1.312 3.858 -7.796 110 3HB ALA 15 3HB ALA 15 1.126 5.363 -6.866 111 H GLY 16 H GLY 16 0.610 3.131 -3.192 112 1HA GLY 16 1HA GLY 16 -1.296 5.130 -2.517 113 2HA GLY 16 2HA GLY 16 -0.330 4.163 -1.420 114 H THR 17 H THR 17 0.040 6.030 -0.052 115 HA THR 17 HA THR 17 2.011 7.887 -1.214 116 HB THR 17 HB THR 17 -0.098 8.487 0.925 117 HG1 THR 17 1HG THR 17 -0.598 7.961 -1.528 118 1HG2 THR 17 1HG2 THR 17 2.192 9.956 -0.196 119 2HG2 THR 17 2HG2 THR 17 0.658 10.793 -0.530 120 3HG2 THR 17 3HG2 THR 17 1.117 10.415 1.148 121 H THR 18 H THR 18 1.640 8.716 1.948 122 HA THR 18 HA THR 18 3.656 6.757 2.829 123 HB THR 18 HB THR 18 3.679 9.761 2.720 124 HG1 THR 18 1HG THR 18 5.716 7.673 3.007 125 1HG2 THR 18 1HG2 THR 18 3.694 9.271 5.209 126 2HG2 THR 18 2HG2 THR 18 5.058 8.160 4.938 127 3HG2 THR 18 3HG2 THR 18 5.250 9.900 4.617 128 H CYS 19 H CYS 19 2.540 5.434 4.157 129 HA CYS 19 HA CYS 19 0.919 4.867 5.616 130 1HB CYS 19 1HB CYS 19 2.765 6.683 7.161 131 2HB CYS 19 2HB CYS 19 1.556 5.648 7.927 132 H TRP 20 H TRP 20 -0.923 5.952 4.538 133 HA TRP 20 HA TRP 20 -1.881 8.209 6.145 134 1HB TRP 20 1HB TRP 20 -1.344 8.148 3.258 135 2HB TRP 20 2HB TRP 20 -2.950 8.734 3.690 136 HD1 TRP 20 HD TRP 20 0.207 10.204 2.923 137 HE1 TRP 20 1HE TRP 20 0.697 12.528 4.072 138 HE3 TRP 20 3HE TRP 20 -3.394 9.792 6.490 139 HZ2 TRP 20 2HZ TRP 20 -0.450 13.902 6.295 140 HZ3 TRP 20 3HZ TRP 20 -3.641 11.669 8.111 141 HH2 TRP 20 HH TRP 20 -2.242 13.673 8.053 142 H LYS 21 H LYS 21 -2.802 5.923 3.458 143 HA LYS 21 HA LYS 21 -4.508 4.542 3.226 144 1HB LYS 21 1HB LYS 21 -4.170 3.212 5.000 145 2HB LYS 21 2HB LYS 21 -4.090 4.555 6.153 146 1HG LYS 21 1HG LYS 21 -6.722 3.880 4.847 147 2HG LYS 21 2HG LYS 21 -6.141 2.855 6.170 148 1HD LYS 21 1HD LYS 21 -5.853 5.694 6.803 149 2HD LYS 21 2HD LYS 21 -7.532 5.304 6.393 150 1HE LYS 21 1HE LYS 21 -7.792 4.424 8.451 151 2HE LYS 21 2HE LYS 21 -6.578 3.193 8.073 152 1HZ LYS 21 1HZ LYS 21 -5.872 4.431 9.997 153 2HZ LYS 21 2HZ LYS 21 -4.880 4.863 8.779 154 3HZ LYS 21 3HZ LYS 21 -6.114 5.859 9.217 155 H THR 22 H THR 22 -6.606 4.806 2.525 156 HA THR 22 HA THR 22 -7.868 7.324 3.348 157 HB THR 22 HB THR 22 -8.935 7.234 1.166 158 HG1 THR 22 1HG THR 22 -9.160 5.220 0.197 159 1HG2 THR 22 1HG2 THR 22 -6.253 5.919 0.578 160 2HG2 THR 22 2HG2 THR 22 -7.094 7.185 -0.350 161 3HG2 THR 22 3HG2 THR 22 -6.321 7.585 1.202 162 H SER 23 H SER 23 -10.225 5.612 1.847 163 HA SER 23 HA SER 23 -11.241 4.745 4.432 164 1HB SER 23 1HB SER 23 -12.527 5.801 1.920 165 2HB SER 23 2HB SER 23 -13.481 4.777 3.009 166 HG SER 23 HG SER 23 -12.276 7.345 3.511 167 H LEU 24 H LEU 24 -9.800 3.585 1.609 168 HA LEU 24 HA LEU 24 -10.901 0.934 2.107 169 1HB LEU 24 1HB LEU 24 -10.759 0.747 -0.519 170 2HB LEU 24 2HB LEU 24 -12.236 1.245 0.327 171 HG LEU 24 HG LEU 24 -10.430 3.453 -0.423 172 1HD1 LEU 24 1HD1 LEU 24 -11.878 1.969 -2.628 173 2HD1 LEU 24 2HD1 LEU 24 -10.873 3.430 -2.777 174 3HD1 LEU 24 3HD1 LEU 24 -10.125 1.875 -2.334 175 1HD2 LEU 24 1HD2 LEU 24 -13.226 2.974 0.084 176 2HD2 LEU 24 2HD2 LEU 24 -12.335 4.512 -0.005 177 3HD2 LEU 24 3HD2 LEU 24 -13.016 3.793 -1.483 178 H THR 25 H THR 25 -8.732 2.386 -0.408 179 HA THR 25 HA THR 25 -6.760 0.375 0.130 180 HB THR 25 HB THR 25 -7.327 2.535 -1.856 181 HG1 THR 25 1HG THR 25 -6.351 0.660 -3.104 182 1HG2 THR 25 1HG2 THR 25 -4.875 2.104 -2.714 183 2HG2 THR 25 2HG2 THR 25 -5.115 3.346 -1.461 184 3HG2 THR 25 3HG2 THR 25 -4.514 1.732 -1.011 185 H SER 26 H SER 26 -5.711 0.437 2.040 186 HA SER 26 HA SER 26 -5.220 2.804 3.403 187 1HB SER 26 1HB SER 26 -4.608 -0.045 3.681 188 2HB SER 26 2HB SER 26 -3.287 0.968 4.287 189 HG SER 26 HG SER 26 -4.520 1.043 6.049 190 H HIS 27 H HIS 27 -4.357 4.041 1.433 191 HA HIS 27 HA HIS 27 -1.907 3.380 0.297 192 1HB HIS 27 1HB HIS 27 -1.933 5.565 -0.637 193 2HB HIS 27 2HB HIS 27 -3.597 4.966 -0.621 194 HD1 HIS 27 1HD HIS 27 -1.761 7.943 0.021 195 HD2 HIS 27 2HD HIS 27 -4.933 6.006 1.966 196 HE1 HIS 27 1HE HIS 27 -2.887 9.706 1.482 197 HE2 HIS 27 2HE HIS 27 -4.834 8.461 2.661 198 H TYR 28 H TYR 28 -0.905 2.629 2.443 199 HA TYR 28 HA TYR 28 0.233 4.915 3.891 200 1HB TYR 28 1HB TYR 28 -0.844 2.253 4.480 201 2HB TYR 28 2HB TYR 28 0.840 2.309 5.011 202 HD1 TYR 28 1HD TYR 28 1.247 3.008 7.184 203 HD2 TYR 28 2HD TYR 28 -2.278 4.399 5.199 204 HE1 TYR 28 1HE TYR 28 0.517 4.203 9.305 205 HE2 TYR 28 2HE TYR 28 -2.997 5.590 7.326 206 HH TYR 28 HH TYR 28 -2.482 5.152 9.894 207 H CYS 29 H CYS 29 1.037 3.608 1.162 208 HA CYS 29 HA CYS 29 3.847 3.619 1.794 209 1HB CYS 29 1HB CYS 29 2.722 1.251 0.307 210 2HB CYS 29 2HB CYS 29 4.388 1.516 0.829 211 H THR 30 H THR 30 4.949 3.047 -0.625 212 HA THR 30 HA THR 30 3.324 4.393 -2.659 213 HB THR 30 HB THR 30 4.683 6.154 -1.559 214 HG1 THR 30 1HG THR 30 4.472 6.161 -3.907 215 1HG2 THR 30 1HG2 THR 30 7.163 6.049 -1.694 216 2HG2 THR 30 2HG2 THR 30 6.554 4.706 -0.696 217 3HG2 THR 30 3HG2 THR 30 7.066 4.406 -2.375 218 H GLY 31 H GLY 31 6.068 2.313 -1.723 219 1HA GLY 31 1HA GLY 31 5.965 0.257 -3.219 220 2HA GLY 31 2HA GLY 31 6.245 1.396 -4.523 221 H LYS 32 H LYS 32 7.750 -0.718 -2.372 222 HA LYS 32 HA LYS 32 9.850 -1.120 -1.822 223 1HB LYS 32 1HB LYS 32 10.653 -1.201 -3.929 224 2HB LYS 32 2HB LYS 32 10.115 0.436 -4.340 225 1HG LYS 32 1HG LYS 32 12.285 0.102 -2.284 226 2HG LYS 32 2HG LYS 32 12.709 -0.149 -3.986 227 1HD LYS 32 1HD LYS 32 11.161 2.200 -3.969 228 2HD LYS 32 2HD LYS 32 12.187 2.346 -2.531 229 1HE LYS 32 1HE LYS 32 13.612 1.352 -4.925 230 2HE LYS 32 2HE LYS 32 12.945 2.978 -5.133 231 1HZ LYS 32 1HZ LYS 32 14.857 2.063 -3.066 232 2HZ LYS 32 2HZ LYS 32 15.071 3.250 -4.161 233 3HZ LYS 32 3HZ LYS 32 13.996 3.456 -2.933 234 H SER 33 H SER 33 10.504 -0.496 0.159 235 HA SER 33 HA SER 33 11.749 0.837 1.488 236 1HB SER 33 1HB SER 33 12.101 2.413 -0.540 237 2HB SER 33 2HB SER 33 10.731 3.338 0.100 238 HG SER 33 HG SER 33 12.518 4.280 1.028 239 H CYS 34 H CYS 34 8.931 -0.132 1.507 240 HA CYS 34 HA CYS 34 7.967 1.694 3.558 241 1HB CYS 34 1HB CYS 34 6.036 0.506 1.595 242 2HB CYS 34 2HB CYS 34 5.785 1.827 2.741 243 H ASP 35 H ASP 35 6.074 0.479 4.798 244 HA ASP 35 HA ASP 35 6.076 -2.331 4.565 245 1HB ASP 35 1HB ASP 35 8.219 -2.110 5.725 246 2HB ASP 35 2HB ASP 35 7.501 -1.038 6.937 247 HD2 ASP 35 HD ASP 35 6.723 -3.090 9.038 248 H CYS 36 H CYS 36 4.246 0.024 4.645 249 HA CYS 36 HA CYS 36 2.938 -0.318 7.226 250 1HB CYS 36 1HB CYS 36 2.676 1.752 5.055 251 2HB CYS 36 2HB CYS 36 1.528 1.625 6.389 252 HA PRO 37 HA PRO 37 -0.327 -2.517 5.355 253 1HB PRO 37 1HB PRO 37 -2.569 -1.612 6.625 254 2HB PRO 37 2HB PRO 37 -1.461 -2.778 7.341 255 1HG PRO 37 1HG PRO 37 -1.791 0.104 7.878 256 2HG PRO 37 2HG PRO 37 -1.027 -1.152 8.919 257 1HD PRO 37 1HD PRO 37 0.248 0.867 7.338 258 2HD PRO 37 2HD PRO 37 1.044 -0.444 8.217 259 H LEU 38 H LEU 38 -1.886 -2.674 3.716 260 HA LEU 38 HA LEU 38 -2.821 -0.098 2.742 261 1HB LEU 38 1HB LEU 38 -1.214 -2.033 1.081 262 2HB LEU 38 2HB LEU 38 -2.090 -0.627 0.450 263 HG LEU 38 HG LEU 38 -0.298 0.167 2.575 264 1HD1 LEU 38 1HD1 LEU 38 1.682 -0.381 0.733 265 2HD1 LEU 38 2HD1 LEU 38 1.411 -1.234 2.272 266 3HD1 LEU 38 3HD1 LEU 38 0.730 -1.885 0.762 267 1HD2 LEU 38 1HD2 LEU 38 0.298 1.862 1.102 268 2HD2 LEU 38 2HD2 LEU 38 0.006 0.858 -0.339 269 3HD2 LEU 38 3HD2 LEU 38 -1.367 1.471 0.612 270 H TYR 39 H TYR 39 -4.157 -2.184 4.191 271 HA TYR 39 HA TYR 39 -6.238 -2.721 2.294 272 1HB TYR 39 1HB TYR 39 -4.206 -4.558 2.412 273 2HB TYR 39 2HB TYR 39 -5.131 -5.107 3.813 274 HD1 TYR 39 1HD TYR 39 -6.018 -7.164 3.106 275 HD2 TYR 39 2HD TYR 39 -6.399 -3.738 0.572 276 HE1 TYR 39 1HE TYR 39 -7.551 -8.472 1.555 277 HE2 TYR 39 2HE TYR 39 -7.928 -5.057 -0.970 278 HH TYR 39 HH TYR 39 -8.485 -7.214 -1.535 279 HA PRO 40 HA PRO 40 -8.480 -2.516 5.987 280 1HB PRO 40 1HB PRO 40 -10.856 -3.628 5.228 281 2HB PRO 40 2HB PRO 40 -10.414 -1.961 4.870 282 1HG PRO 40 1HG PRO 40 -10.438 -4.333 3.117 283 2HG PRO 40 2HG PRO 40 -10.461 -2.592 2.653 284 1HD PRO 40 1HD PRO 40 -8.277 -4.440 2.528 285 2HD PRO 40 2HD PRO 40 -8.207 -2.702 2.212 286 H GLY 41 H GLY 41 -9.549 -3.668 7.772 287 1HA GLY 41 1HA GLY 41 -10.158 -5.921 8.508 288 2HA GLY 41 2HA GLY 41 -8.718 -6.508 7.700 Start of MODEL 12 1 H CYS 1 H CYS 1 -2.386 -3.321 5.351 2 HA CYS 1 HA CYS 1 -0.219 -3.385 4.084 3 1HB CYS 1 1HB CYS 1 0.794 -4.731 6.009 4 2HB CYS 1 2HB CYS 1 -0.004 -6.135 5.296 5 H THR 2 H THR 2 -0.168 -6.400 3.218 6 HA THR 2 HA THR 2 -2.791 -7.123 2.511 7 HB THR 2 HB THR 2 -1.256 -5.301 0.649 8 HG1 THR 2 1HG THR 2 -3.648 -4.842 0.294 9 1HG2 THR 2 1HG2 THR 2 -2.371 -6.165 -1.304 10 2HG2 THR 2 2HG2 THR 2 -1.636 -7.591 -0.532 11 3HG2 THR 2 3HG2 THR 2 -3.375 -7.268 -0.331 12 H THR 3 H THR 3 0.723 -7.245 2.050 13 HA THR 3 HA THR 3 0.509 -10.130 1.853 14 HB THR 3 HB THR 3 1.508 -8.304 -0.369 15 HG1 THR 3 1HG THR 3 -0.360 -9.245 -1.086 16 1HG2 THR 3 1HG2 THR 3 3.246 -10.163 0.348 17 2HG2 THR 3 2HG2 THR 3 2.028 -11.299 -0.281 18 3HG2 THR 3 3HG2 THR 3 2.748 -10.079 -1.360 19 H GLY 4 H GLY 4 3.262 -8.031 0.928 20 1HA GLY 4 1HA GLY 4 4.732 -9.158 3.208 21 2HA GLY 4 2HA GLY 4 5.414 -8.442 1.761 22 HA PRO 5 HA PRO 5 5.750 -5.076 4.641 23 1HB PRO 5 1HB PRO 5 7.964 -3.940 3.512 24 2HB PRO 5 2HB PRO 5 8.048 -5.171 4.770 25 1HG PRO 5 1HG PRO 5 8.501 -5.395 1.864 26 2HG PRO 5 2HG PRO 5 9.048 -6.502 3.176 27 1HD PRO 5 1HD PRO 5 6.913 -6.876 1.305 28 2HD PRO 5 2HD PRO 5 7.308 -7.919 2.676 29 H CYS 6 H CYS 6 4.349 -5.328 1.880 30 HA CYS 6 HA CYS 6 3.326 -3.980 0.473 31 1HB CYS 6 1HB CYS 6 1.904 -2.561 1.442 32 2HB CYS 6 2HB CYS 6 2.553 -3.247 2.933 33 H CYS 7 H CYS 7 4.650 -3.381 -1.230 34 HA CYS 7 HA CYS 7 5.446 -1.090 -1.959 35 1HB CYS 7 1HB CYS 7 7.116 -1.690 0.408 36 2HB CYS 7 2HB CYS 7 7.956 -0.996 -0.981 37 H ARG 8 H ARG 8 5.047 -3.680 -2.961 38 HA ARG 8 HA ARG 8 6.485 -4.016 -5.010 39 1HB ARG 8 1HB ARG 8 8.663 -3.855 -4.116 40 2HB ARG 8 2HB ARG 8 8.271 -4.843 -2.698 41 1HG ARG 8 1HG ARG 8 9.705 -6.036 -4.356 42 2HG ARG 8 2HG ARG 8 8.157 -6.859 -4.096 43 1HD ARG 8 1HD ARG 8 8.162 -6.874 -6.398 44 2HD ARG 8 2HD ARG 8 7.453 -5.266 -6.177 45 HE ARG 8 HE ARG 8 10.272 -4.960 -6.151 46 1HH1 ARG 8 2HH2 ARG 8 7.758 -5.961 -8.441 47 2HH1 ARG 8 1HH2 ARG 8 8.647 -5.440 -9.834 48 1HH2 ARG 8 2HH1 ARG 8 11.422 -4.286 -7.963 49 2HH2 ARG 8 1HH1 ARG 8 10.744 -4.481 -9.566 50 H GLN 9 H GLN 9 4.896 -5.323 -2.293 51 HA GLN 9 HA GLN 9 3.772 -7.383 -3.772 52 1HB GLN 9 1HB GLN 9 6.119 -8.097 -2.060 53 2HB GLN 9 2HB GLN 9 4.731 -9.199 -2.021 54 1HG GLN 9 1HG GLN 9 5.077 -8.629 -4.743 55 2HG GLN 9 2HG GLN 9 6.733 -8.757 -4.133 56 1HE2 GLN 9 1HE2 GLN 9 7.583 -10.688 -3.880 57 2HE2 GLN 9 2HE2 GLN 9 6.742 -12.203 -3.891 58 H CYS 10 H CYS 10 2.443 -5.465 -2.568 59 HA CYS 10 HA CYS 10 0.723 -6.660 -0.851 60 1HB CYS 10 1HB CYS 10 2.004 -6.936 0.979 61 2HB CYS 10 2HB CYS 10 3.096 -5.608 0.576 62 H LYS 11 H LYS 11 2.605 -3.693 -1.625 63 HA LYS 11 HA LYS 11 0.276 -2.032 -1.177 64 1HB LYS 11 1HB LYS 11 1.712 -0.336 -0.972 65 2HB LYS 11 2HB LYS 11 2.933 -1.605 -0.787 66 1HG LYS 11 1HG LYS 11 2.181 -0.102 -3.325 67 2HG LYS 11 2HG LYS 11 3.720 -0.007 -2.451 68 1HD LYS 11 1HD LYS 11 4.507 -1.914 -3.410 69 2HD LYS 11 2HD LYS 11 2.957 -2.759 -3.248 70 1HE LYS 11 1HE LYS 11 2.108 -1.380 -5.199 71 2HE LYS 11 2HE LYS 11 3.747 -0.748 -5.407 72 1HZ LYS 11 1HZ LYS 11 3.142 -3.651 -5.424 73 2HZ LYS 11 2HZ LYS 11 3.166 -2.760 -6.787 74 3HZ LYS 11 3HZ LYS 11 4.526 -2.882 -5.871 75 H LEU 12 H LEU 12 0.672 -4.240 -3.373 76 HA LEU 12 HA LEU 12 0.978 -3.360 -5.850 77 1HB LEU 12 1HB LEU 12 -0.774 -4.912 -6.544 78 2HB LEU 12 2HB LEU 12 0.340 -5.606 -5.353 79 HG LEU 12 HG LEU 12 -1.564 -4.843 -3.668 80 1HD1 LEU 12 1HD1 LEU 12 -2.764 -4.300 -6.200 81 2HD1 LEU 12 2HD1 LEU 12 -3.631 -5.657 -5.443 82 3HD1 LEU 12 3HD1 LEU 12 -3.452 -4.117 -4.569 83 1HD2 LEU 12 1HD2 LEU 12 -2.691 -7.193 -4.484 84 2HD2 LEU 12 2HD2 LEU 12 -1.068 -7.303 -5.206 85 3HD2 LEU 12 3HD2 LEU 12 -1.248 -7.052 -3.453 86 H LYS 13 H LYS 13 -1.678 -2.445 -3.644 87 HA LYS 13 HA LYS 13 -3.467 -1.345 -5.354 88 1HB LYS 13 1HB LYS 13 -3.271 0.464 -3.218 89 2HB LYS 13 2HB LYS 13 -4.366 -0.923 -3.366 90 1HG LYS 13 1HG LYS 13 -3.314 -1.800 -1.575 91 2HG LYS 13 2HG LYS 13 -1.898 -2.051 -2.610 92 1HD LYS 13 1HD LYS 13 -2.509 0.268 -0.753 93 2HD LYS 13 2HD LYS 13 -1.103 -0.808 -0.724 94 1HE LYS 13 1HE LYS 13 -0.017 0.766 -1.928 95 2HE LYS 13 2HE LYS 13 -1.056 0.343 -3.297 96 1HZ LYS 13 1HZ LYS 13 -2.682 1.992 -2.180 97 2HZ LYS 13 2HZ LYS 13 -1.385 2.548 -1.367 98 3HZ LYS 13 3HZ LYS 13 -1.386 2.569 -3.010 99 HA PRO 14 HA PRO 14 -1.766 2.246 -7.068 100 1HB PRO 14 1HB PRO 14 -3.563 4.259 -6.648 101 2HB PRO 14 2HB PRO 14 -3.771 3.024 -7.888 102 1HG PRO 14 1HG PRO 14 -5.078 3.312 -5.257 103 2HG PRO 14 2HG PRO 14 -5.626 2.361 -6.686 104 1HD PRO 14 1HD PRO 14 -4.437 1.406 -4.262 105 2HD PRO 14 2HD PRO 14 -4.811 0.450 -5.701 106 H ALA 15 H ALA 15 0.153 2.998 -6.441 107 HA ALA 15 HA ALA 15 0.935 3.598 -3.986 108 1HB ALA 15 1HB ALA 15 1.647 4.507 -6.700 109 2HB ALA 15 2HB ALA 15 2.146 5.632 -5.413 110 3HB ALA 15 3HB ALA 15 2.690 3.938 -5.375 111 H GLY 16 H GLY 16 0.702 5.178 -2.417 112 1HA GLY 16 1HA GLY 16 -1.081 7.437 -3.104 113 2HA GLY 16 2HA GLY 16 -1.268 6.497 -1.638 114 H THR 17 H THR 17 0.407 6.578 0.035 115 HA THR 17 HA THR 17 2.593 8.410 -0.296 116 HB THR 17 HB THR 17 0.458 9.138 1.756 117 HG1 THR 17 1HG THR 17 -0.538 10.233 0.074 118 1HG2 THR 17 1HG2 THR 17 3.075 10.170 0.977 119 2HG2 THR 17 2HG2 THR 17 1.818 11.378 0.618 120 3HG2 THR 17 3HG2 THR 17 1.997 10.745 2.272 121 H THR 18 H THR 18 2.391 8.822 2.773 122 HA THR 18 HA THR 18 3.267 6.094 3.466 123 HB THR 18 HB THR 18 4.611 8.739 3.613 124 HG1 THR 18 1HG THR 18 5.203 5.880 3.883 125 1HG2 THR 18 1HG2 THR 18 5.815 8.163 5.724 126 2HG2 THR 18 2HG2 THR 18 4.090 8.462 6.048 127 3HG2 THR 18 3HG2 THR 18 4.707 6.793 5.979 128 H CYS 19 H CYS 19 2.160 5.123 5.041 129 HA CYS 19 HA CYS 19 0.415 4.915 6.430 130 1HB CYS 19 1HB CYS 19 2.599 6.404 7.735 131 2HB CYS 19 2HB CYS 19 1.062 6.399 8.605 132 H TRP 20 H TRP 20 -1.136 6.065 4.958 133 HA TRP 20 HA TRP 20 -2.053 8.542 6.229 134 1HB TRP 20 1HB TRP 20 -0.735 8.620 3.875 135 2HB TRP 20 2HB TRP 20 -2.383 8.367 3.297 136 HD1 TRP 20 HD TRP 20 -0.239 10.976 5.157 137 HE1 TRP 20 1HE TRP 20 -1.424 13.333 5.200 138 HE3 TRP 20 3HE TRP 20 -4.654 9.376 3.208 139 HZ2 TRP 20 2HZ TRP 20 -4.019 14.243 4.430 140 HZ3 TRP 20 3HZ TRP 20 -6.461 11.062 2.885 141 HH2 TRP 20 HH TRP 20 -6.197 13.422 3.462 142 H LYS 21 H LYS 21 -3.068 6.568 3.357 143 HA LYS 21 HA LYS 21 -4.740 5.046 3.229 144 1HB LYS 21 1HB LYS 21 -5.896 4.268 5.005 145 2HB LYS 21 2HB LYS 21 -4.571 5.044 5.891 146 1HG LYS 21 1HG LYS 21 -6.257 7.155 5.646 147 2HG LYS 21 2HG LYS 21 -7.448 5.845 5.632 148 1HD LYS 21 1HD LYS 21 -5.761 5.097 7.697 149 2HD LYS 21 2HD LYS 21 -5.762 6.863 7.846 150 1HE LYS 21 1HE LYS 21 -8.454 5.875 7.345 151 2HE LYS 21 2HE LYS 21 -7.756 5.044 8.744 152 1HZ LYS 21 1HZ LYS 21 -8.895 7.454 8.887 153 2HZ LYS 21 2HZ LYS 21 -7.733 6.980 9.923 154 3HZ LYS 21 3HZ LYS 21 -7.332 7.883 8.610 155 H THR 22 H THR 22 -6.291 5.482 1.748 156 HA THR 22 HA THR 22 -8.408 7.189 2.051 157 HB THR 22 HB THR 22 -6.721 9.017 2.267 158 HG1 THR 22 1HG THR 22 -8.659 9.587 1.174 159 1HG2 THR 22 1HG2 THR 22 -4.804 8.609 0.997 160 2HG2 THR 22 2HG2 THR 22 -5.710 7.751 -0.272 161 3HG2 THR 22 3HG2 THR 22 -5.733 9.530 -0.211 162 H SER 23 H SER 23 -8.851 8.181 -0.503 163 HA SER 23 HA SER 23 -9.671 7.483 -2.393 164 1HB SER 23 1HB SER 23 -6.864 6.826 -2.392 165 2HB SER 23 2HB SER 23 -7.728 5.617 -3.358 166 HG SER 23 HG SER 23 -8.296 8.404 -3.718 167 H LEU 24 H LEU 24 -10.021 5.747 0.143 168 HA LEU 24 HA LEU 24 -11.297 3.990 0.614 169 1HB LEU 24 1HB LEU 24 -12.179 4.525 -1.805 170 2HB LEU 24 2HB LEU 24 -11.388 2.988 -2.193 171 HG LEU 24 HG LEU 24 -13.646 3.487 -0.241 172 1HD1 LEU 24 1HD1 LEU 24 -13.438 1.972 -2.852 173 2HD1 LEU 24 2HD1 LEU 24 -14.802 1.804 -1.722 174 3HD1 LEU 24 3HD1 LEU 24 -14.457 3.381 -2.473 175 1HD2 LEU 24 1HD2 LEU 24 -13.599 1.052 0.207 176 2HD2 LEU 24 2HD2 LEU 24 -12.067 0.940 -0.692 177 3HD2 LEU 24 3HD2 LEU 24 -12.153 1.902 0.803 178 H THR 25 H THR 25 -8.212 4.074 -0.603 179 HA THR 25 HA THR 25 -7.786 1.254 0.131 180 HB THR 25 HB THR 25 -6.287 2.831 -2.023 181 HG1 THR 25 1HG THR 25 -8.536 2.426 -2.590 182 1HG2 THR 25 1HG2 THR 25 -5.868 0.254 -0.748 183 2HG2 THR 25 2HG2 THR 25 -6.384 -0.013 -2.432 184 3HG2 THR 25 3HG2 THR 25 -4.949 0.982 -2.087 185 H SER 26 H SER 26 -6.823 1.194 2.060 186 HA SER 26 HA SER 26 -5.667 3.314 3.285 187 1HB SER 26 1HB SER 26 -5.421 0.332 3.580 188 2HB SER 26 2HB SER 26 -4.346 1.362 4.540 189 HG SER 26 HG SER 26 -6.805 0.665 5.166 190 H HIS 27 H HIS 27 -4.381 4.369 1.551 191 HA HIS 27 HA HIS 27 -2.382 3.352 0.108 192 1HB HIS 27 1HB HIS 27 -2.531 5.997 1.556 193 2HB HIS 27 2HB HIS 27 -1.266 5.618 0.381 194 HD1 HIS 27 1HD HIS 27 -4.046 3.963 -1.011 195 HD2 HIS 27 2HD HIS 27 -3.008 8.010 -0.637 196 HE1 HIS 27 1HE HIS 27 -5.402 5.213 -2.773 197 HE2 HIS 27 2HE HIS 27 -4.724 7.702 -2.505 198 H TYR 28 H TYR 28 -1.658 4.983 3.276 199 HA TYR 28 HA TYR 28 0.267 4.769 4.471 200 1HB TYR 28 1HB TYR 28 -1.588 2.414 4.514 201 2HB TYR 28 2HB TYR 28 -0.006 2.071 5.222 202 HD1 TYR 28 1HD TYR 28 0.335 2.542 7.478 203 HD2 TYR 28 2HD TYR 28 -2.774 4.600 5.380 204 HE1 TYR 28 1HE TYR 28 -0.429 3.619 9.651 205 HE2 TYR 28 2HE TYR 28 -3.527 5.671 7.560 206 HH TYR 28 HH TYR 28 -2.295 6.249 9.798 207 H CYS 29 H CYS 29 0.894 4.343 1.660 208 HA CYS 29 HA CYS 29 3.415 3.360 1.846 209 1HB CYS 29 1HB CYS 29 1.854 1.195 2.198 210 2HB CYS 29 2HB CYS 29 2.000 1.172 0.438 211 H THR 30 H THR 30 3.809 2.237 -0.731 212 HA THR 30 HA THR 30 2.228 3.641 -2.663 213 HB THR 30 HB THR 30 4.855 4.727 -1.651 214 HG1 THR 30 1HG THR 30 2.453 5.726 -3.015 215 1HG2 THR 30 1HG2 THR 30 5.411 5.754 -3.751 216 2HG2 THR 30 2HG2 THR 30 5.143 4.042 -4.156 217 3HG2 THR 30 3HG2 THR 30 3.875 5.245 -4.493 218 H GLY 31 H GLY 31 5.644 2.448 -2.352 219 1HA GLY 31 1HA GLY 31 5.315 -0.017 -3.503 220 2HA GLY 31 2HA GLY 31 5.464 1.081 -4.860 221 H LYS 32 H LYS 32 7.194 -0.881 -2.746 222 HA LYS 32 HA LYS 32 9.306 -0.981 -2.045 223 1HB LYS 32 1HB LYS 32 10.950 -0.417 -3.962 224 2HB LYS 32 2HB LYS 32 9.781 -1.731 -4.183 225 1HG LYS 32 1HG LYS 32 9.662 -0.472 -6.188 226 2HG LYS 32 2HG LYS 32 8.249 0.065 -5.264 227 1HD LYS 32 1HD LYS 32 9.060 2.140 -5.764 228 2HD LYS 32 2HD LYS 32 10.117 1.851 -4.370 229 1HE LYS 32 1HE LYS 32 11.779 0.818 -6.030 230 2HE LYS 32 2HE LYS 32 10.763 1.465 -7.326 231 1HZ LYS 32 1HZ LYS 32 12.689 2.905 -6.466 232 2HZ LYS 32 2HZ LYS 32 11.251 3.649 -6.649 233 3HZ LYS 32 3HZ LYS 32 11.731 3.164 -5.153 234 H SER 33 H SER 33 7.809 1.596 -1.507 235 HA SER 33 HA SER 33 10.136 3.019 -0.645 236 1HB SER 33 1HB SER 33 9.114 3.801 -3.057 237 2HB SER 33 2HB SER 33 8.168 4.826 -1.962 238 HG SER 33 HG SER 33 10.974 4.651 -1.519 239 H CYS 34 H CYS 34 8.494 1.626 0.990 240 HA CYS 34 HA CYS 34 7.354 3.668 2.587 241 1HB CYS 34 1HB CYS 34 5.077 2.976 2.627 242 2HB CYS 34 2HB CYS 34 5.520 3.378 0.966 243 H ASP 35 H ASP 35 5.483 1.407 3.707 244 HA ASP 35 HA ASP 35 6.582 -0.876 4.295 245 1HB ASP 35 1HB ASP 35 8.230 1.259 5.489 246 2HB ASP 35 2HB ASP 35 7.706 0.058 6.680 247 HD2 ASP 35 HD ASP 35 10.504 0.443 5.473 248 H CYS 36 H CYS 36 4.088 0.550 4.354 249 HA CYS 36 HA CYS 36 3.355 0.185 7.166 250 1HB CYS 36 1HB CYS 36 3.099 2.558 5.527 251 2HB CYS 36 2HB CYS 36 1.521 2.006 6.099 252 HA PRO 37 HA PRO 37 0.218 -2.323 5.483 253 1HB PRO 37 1HB PRO 37 -1.853 -2.017 7.238 254 2HB PRO 37 2HB PRO 37 -0.465 -3.056 7.556 255 1HG PRO 37 1HG PRO 37 -1.117 -0.382 8.618 256 2HG PRO 37 2HG PRO 37 0.012 -1.612 9.292 257 1HD PRO 37 1HD PRO 37 0.643 0.801 7.885 258 2HD PRO 37 2HD PRO 37 1.780 -0.456 8.388 259 H LEU 38 H LEU 38 -1.486 -2.502 4.036 260 HA LEU 38 HA LEU 38 -2.797 0.085 3.572 261 1HB LEU 38 1HB LEU 38 -2.624 -1.430 1.169 262 2HB LEU 38 2HB LEU 38 -2.008 0.194 1.523 263 HG LEU 38 HG LEU 38 -0.199 -1.643 2.693 264 1HD1 LEU 38 1HD1 LEU 38 -0.832 -3.498 1.455 265 2HD1 LEU 38 2HD1 LEU 38 -1.209 -2.536 0.006 266 3HD1 LEU 38 3HD1 LEU 38 0.486 -2.808 0.480 267 1HD2 LEU 38 1HD2 LEU 38 1.382 -0.687 1.083 268 2HD2 LEU 38 2HD2 LEU 38 0.029 0.015 0.166 269 3HD2 LEU 38 3HD2 LEU 38 0.360 0.567 1.826 270 H TYR 39 H TYR 39 -4.215 -1.188 5.255 271 HA TYR 39 HA TYR 39 -6.364 -2.336 3.705 272 1HB TYR 39 1HB TYR 39 -4.379 -3.940 4.928 273 2HB TYR 39 2HB TYR 39 -5.653 -3.896 6.152 274 HD1 TYR 39 1HD TYR 39 -6.968 -5.798 6.116 275 HD2 TYR 39 2HD TYR 39 -5.570 -4.198 2.401 276 HE1 TYR 39 1HE TYR 39 -8.211 -7.621 4.853 277 HE2 TYR 39 2HE TYR 39 -6.818 -6.027 1.152 278 HH TYR 39 HH TYR 39 -8.404 -7.575 1.346 279 HA PRO 40 HA PRO 40 -8.208 0.055 6.883 280 1HB PRO 40 1HB PRO 40 -10.699 0.198 5.772 281 2HB PRO 40 2HB PRO 40 -9.404 1.327 5.383 282 1HG PRO 40 1HG PRO 40 -10.461 -0.951 3.835 283 2HG PRO 40 2HG PRO 40 -9.506 0.458 3.250 284 1HD PRO 40 1HD PRO 40 -8.629 -2.234 3.675 285 2HD PRO 40 2HD PRO 40 -7.614 -0.850 3.250 286 H GLY 41 H GLY 41 -9.798 -2.776 5.533 287 1HA GLY 41 1HA GLY 41 -10.987 -4.406 6.525 288 2HA GLY 41 2HA GLY 41 -9.905 -4.198 7.889 Start of MODEL 13 1 H CYS 1 H CYS 1 -2.287 -3.039 5.912 2 HA CYS 1 HA CYS 1 -0.548 -3.385 4.495 3 1HB CYS 1 1HB CYS 1 0.628 -4.619 6.449 4 2HB CYS 1 2HB CYS 1 0.063 -6.089 5.649 5 H THR 2 H THR 2 -0.053 -6.042 3.277 6 HA THR 2 HA THR 2 -2.650 -7.176 2.749 7 HB THR 2 HB THR 2 -1.245 -5.265 0.871 8 HG1 THR 2 1HG THR 2 -3.206 -4.488 1.620 9 1HG2 THR 2 1HG2 THR 2 -2.374 -6.240 -1.060 10 2HG2 THR 2 2HG2 THR 2 -1.399 -7.536 -0.324 11 3HG2 THR 2 3HG2 THR 2 -3.156 -7.474 -0.043 12 H THR 3 H THR 3 0.663 -7.338 3.189 13 HA THR 3 HA THR 3 0.717 -10.107 2.686 14 HB THR 3 HB THR 3 1.731 -8.227 0.536 15 HG1 THR 3 1HG THR 3 0.585 -9.826 -0.647 16 1HG2 THR 3 1HG2 THR 3 3.125 -10.093 -0.356 17 2HG2 THR 3 2HG2 THR 3 3.754 -9.549 1.217 18 3HG2 THR 3 3HG2 THR 3 2.796 -11.044 1.111 19 H GLY 4 H GLY 4 3.330 -7.684 2.130 20 1HA GLY 4 1HA GLY 4 4.407 -8.389 4.785 21 2HA GLY 4 2HA GLY 4 5.402 -8.526 3.350 22 HA PRO 5 HA PRO 5 6.356 -4.330 4.039 23 1HB PRO 5 1HB PRO 5 7.970 -3.927 1.872 24 2HB PRO 5 2HB PRO 5 8.539 -4.645 3.379 25 1HG PRO 5 1HG PRO 5 7.890 -5.915 0.797 26 2HG PRO 5 2HG PRO 5 8.904 -6.555 2.138 27 1HD PRO 5 1HD PRO 5 6.234 -7.297 1.413 28 2HD PRO 5 2HD PRO 5 7.131 -7.842 2.838 29 H CYS 6 H CYS 6 4.350 -5.513 1.734 30 HA CYS 6 HA CYS 6 2.783 -4.587 0.511 31 1HB CYS 6 1HB CYS 6 1.771 -2.634 1.139 32 2HB CYS 6 2HB CYS 6 2.588 -3.121 2.627 33 H CYS 7 H CYS 7 5.582 -2.286 0.849 34 HA CYS 7 HA CYS 7 5.434 -1.109 -1.601 35 1HB CYS 7 1HB CYS 7 7.409 -1.431 0.481 36 2HB CYS 7 2HB CYS 7 8.175 -1.442 -1.109 37 H ARG 8 H ARG 8 4.577 -2.968 -2.933 38 HA ARG 8 HA ARG 8 5.346 -3.932 -4.882 39 1HB ARG 8 1HB ARG 8 7.738 -3.727 -4.468 40 2HB ARG 8 2HB ARG 8 7.668 -4.908 -3.148 41 1HG ARG 8 1HG ARG 8 8.555 -5.992 -5.135 42 2HG ARG 8 2HG ARG 8 6.938 -6.646 -4.825 43 1HD ARG 8 1HD ARG 8 6.324 -6.037 -6.907 44 2HD ARG 8 2HD ARG 8 6.615 -4.339 -6.498 45 HE ARG 8 HE ARG 8 9.146 -5.370 -7.023 46 1HH1 ARG 8 2HH2 ARG 8 6.111 -5.211 -8.844 47 2HH1 ARG 8 1HH2 ARG 8 6.895 -5.171 -10.389 48 1HH2 ARG 8 2HH1 ARG 8 10.161 -5.317 -9.028 49 2HH2 ARG 8 1HH1 ARG 8 9.214 -5.232 -10.499 50 H GLN 9 H GLN 9 4.775 -5.000 -1.647 51 HA GLN 9 HA GLN 9 3.399 -7.302 -2.685 52 1HB GLN 9 1HB GLN 9 5.793 -7.433 -0.900 53 2HB GLN 9 2HB GLN 9 4.457 -8.535 -0.523 54 1HG GLN 9 1HG GLN 9 4.564 -8.989 -3.153 55 2HG GLN 9 2HG GLN 9 6.229 -8.418 -2.962 56 1HE2 GLN 9 1HE2 GLN 9 7.714 -9.656 -1.961 57 2HE2 GLN 9 2HE2 GLN 9 7.447 -11.267 -1.386 58 H CYS 10 H CYS 10 1.676 -5.660 -2.127 59 HA CYS 10 HA CYS 10 -0.033 -6.094 -0.393 60 1HB CYS 10 1HB CYS 10 0.885 -6.549 1.583 61 2HB CYS 10 2HB CYS 10 2.355 -5.629 1.249 62 H LYS 11 H LYS 11 2.108 -3.807 -1.792 63 HA LYS 11 HA LYS 11 0.280 -1.597 -1.172 64 1HB LYS 11 1HB LYS 11 2.022 -0.139 -1.295 65 2HB LYS 11 2HB LYS 11 2.876 -1.569 -0.690 66 1HG LYS 11 1HG LYS 11 4.270 -1.210 -2.445 67 2HG LYS 11 2HG LYS 11 2.997 -1.962 -3.423 68 1HD LYS 11 1HD LYS 11 2.025 0.504 -3.476 69 2HD LYS 11 2HD LYS 11 3.689 0.963 -3.084 70 1HE LYS 11 1HE LYS 11 3.556 1.003 -5.466 71 2HE LYS 11 2HE LYS 11 4.395 -0.509 -5.086 72 1HZ LYS 11 1HZ LYS 11 1.538 -0.801 -5.190 73 2HZ LYS 11 2HZ LYS 11 2.149 -0.291 -6.610 74 3HZ LYS 11 3HZ LYS 11 2.733 -1.664 -5.917 75 H LEU 12 H LEU 12 -0.068 -3.904 -3.131 76 HA LEU 12 HA LEU 12 0.413 -3.415 -5.692 77 1HB LEU 12 1HB LEU 12 -1.903 -4.289 -6.150 78 2HB LEU 12 2HB LEU 12 -0.840 -5.295 -5.150 79 HG LEU 12 HG LEU 12 -2.111 -4.050 -3.182 80 1HD1 LEU 12 1HD1 LEU 12 -4.207 -4.016 -5.367 81 2HD1 LEU 12 2HD1 LEU 12 -4.413 -3.543 -3.663 82 3HD1 LEU 12 3HD1 LEU 12 -3.373 -2.576 -4.737 83 1HD2 LEU 12 1HD2 LEU 12 -3.501 -5.954 -2.932 84 2HD2 LEU 12 2HD2 LEU 12 -3.504 -6.274 -4.684 85 3HD2 LEU 12 3HD2 LEU 12 -2.014 -6.512 -3.737 86 H LYS 13 H LYS 13 -1.547 -1.400 -3.545 87 HA LYS 13 HA LYS 13 -3.092 -0.002 -5.274 88 1HB LYS 13 1HB LYS 13 -1.518 1.228 -3.007 89 2HB LYS 13 2HB LYS 13 -3.074 1.773 -3.659 90 1HG LYS 13 1HG LYS 13 -3.818 0.570 -1.834 91 2HG LYS 13 2HG LYS 13 -3.792 -0.739 -3.029 92 1HD LYS 13 1HD LYS 13 -1.169 -0.624 -1.998 93 2HD LYS 13 2HD LYS 13 -2.215 -0.408 -0.583 94 1HE LYS 13 1HE LYS 13 -3.170 -2.510 -2.413 95 2HE LYS 13 2HE LYS 13 -1.548 -2.845 -1.787 96 1HZ LYS 13 1HZ LYS 13 -3.911 -2.189 -0.109 97 2HZ LYS 13 2HZ LYS 13 -3.308 -3.688 -0.314 98 3HZ LYS 13 3HZ LYS 13 -2.391 -2.534 0.416 99 HA PRO 14 HA PRO 14 -0.469 2.216 -7.883 100 1HB PRO 14 1HB PRO 14 -1.955 4.435 -8.456 101 2HB PRO 14 2HB PRO 14 -2.219 2.874 -9.227 102 1HG PRO 14 1HG PRO 14 -3.750 4.214 -7.092 103 2HG PRO 14 2HG PRO 14 -4.279 2.888 -8.190 104 1HD PRO 14 1HD PRO 14 -3.539 2.726 -5.428 105 2HD PRO 14 2HD PRO 14 -3.897 1.370 -6.505 106 H ALA 15 H ALA 15 -0.031 2.545 -5.024 107 HA ALA 15 HA ALA 15 1.531 3.718 -3.919 108 1HB ALA 15 1HB ALA 15 1.566 6.114 -5.662 109 2HB ALA 15 2HB ALA 15 2.913 5.139 -5.029 110 3HB ALA 15 3HB ALA 15 2.022 4.595 -6.470 111 H GLY 16 H GLY 16 1.436 5.439 -2.322 112 1HA GLY 16 1HA GLY 16 -0.400 7.525 -2.323 113 2HA GLY 16 2HA GLY 16 -1.212 6.144 -1.613 114 H THR 17 H THR 17 1.556 8.388 -1.318 115 HA THR 17 HA THR 17 2.990 8.778 0.361 116 HB THR 17 HB THR 17 0.484 8.369 2.066 117 HG1 THR 17 1HG THR 17 0.380 10.783 1.282 118 1HG2 THR 17 1HG2 THR 17 3.049 9.931 2.285 119 2HG2 THR 17 2HG2 THR 17 1.558 10.758 2.795 120 3HG2 THR 17 3HG2 THR 17 2.042 9.233 3.575 121 H THR 18 H THR 18 3.367 8.010 2.946 122 HA THR 18 HA THR 18 3.819 5.116 2.629 123 HB THR 18 HB THR 18 5.793 6.830 2.704 124 HG1 THR 18 1HG THR 18 5.410 4.718 4.708 125 1HG2 THR 18 1HG2 THR 18 5.915 6.627 5.613 126 2HG2 THR 18 2HG2 THR 18 6.097 8.076 4.595 127 3HG2 THR 18 3HG2 THR 18 4.479 7.565 5.134 128 H CYS 19 H CYS 19 1.569 7.041 3.897 129 HA CYS 19 HA CYS 19 0.607 5.195 5.658 130 1HB CYS 19 1HB CYS 19 2.600 6.989 6.896 131 2HB CYS 19 2HB CYS 19 1.079 6.812 7.777 132 H TRP 20 H TRP 20 -1.083 6.086 4.175 133 HA TRP 20 HA TRP 20 -2.108 8.660 5.165 134 1HB TRP 20 1HB TRP 20 -1.303 8.056 2.597 135 2HB TRP 20 2HB TRP 20 -3.052 7.832 2.531 136 HD1 TRP 20 HD TRP 20 -1.470 10.322 1.107 137 HE1 TRP 20 1HE TRP 20 -2.144 12.824 1.610 138 HE3 TRP 20 3HE TRP 20 -3.776 9.362 5.536 139 HZ2 TRP 20 2HZ TRP 20 -3.535 14.092 3.755 140 HZ3 TRP 20 3HZ TRP 20 -4.766 11.287 6.771 141 HH2 TRP 20 HH TRP 20 -4.673 13.588 5.949 142 H LYS 21 H LYS 21 -3.262 5.775 3.264 143 HA LYS 21 HA LYS 21 -4.861 4.294 3.716 144 1HB LYS 21 1HB LYS 21 -4.844 3.732 5.852 145 2HB LYS 21 2HB LYS 21 -4.328 5.352 6.352 146 1HG LYS 21 1HG LYS 21 -7.177 5.068 5.507 147 2HG LYS 21 2HG LYS 21 -6.739 4.253 7.018 148 1HD LYS 21 1HD LYS 21 -5.541 6.622 7.471 149 2HD LYS 21 2HD LYS 21 -6.794 7.185 6.353 150 1HE LYS 21 1HE LYS 21 -8.464 6.839 7.871 151 2HE LYS 21 2HE LYS 21 -7.762 5.325 8.464 152 1HZ LYS 21 1HZ LYS 21 -6.503 6.466 10.004 153 2HZ LYS 21 2HZ LYS 21 -6.392 7.832 9.124 154 3HZ LYS 21 3HZ LYS 21 -7.800 7.471 9.892 155 H THR 22 H THR 22 -6.724 4.368 2.579 156 HA THR 22 HA THR 22 -8.010 6.947 2.273 157 HB THR 22 HB THR 22 -9.146 5.802 0.415 158 HG1 THR 22 1HG THR 22 -9.095 3.513 0.399 159 1HG2 THR 22 1HG2 THR 22 -7.190 4.690 -0.776 160 2HG2 THR 22 2HG2 THR 22 -6.813 6.319 -0.166 161 3HG2 THR 22 3HG2 THR 22 -6.240 4.884 0.717 162 H SER 23 H SER 23 -10.338 4.589 1.801 163 HA SER 23 HA SER 23 -11.232 4.689 4.547 164 1HB SER 23 1HB SER 23 -12.347 6.276 2.378 165 2HB SER 23 2HB SER 23 -13.570 5.165 3.021 166 HG SER 23 HG SER 23 -13.551 6.203 4.939 167 H LEU 24 H LEU 24 -10.249 2.766 2.260 168 HA LEU 24 HA LEU 24 -11.982 0.636 2.979 169 1HB LEU 24 1HB LEU 24 -13.519 1.330 1.436 170 2HB LEU 24 2HB LEU 24 -12.298 1.944 0.309 171 HG LEU 24 HG LEU 24 -11.855 -0.826 0.471 172 1HD1 LEU 24 1HD1 LEU 24 -13.860 -1.949 0.295 173 2HD1 LEU 24 2HD1 LEU 24 -14.241 -0.729 1.532 174 3HD1 LEU 24 3HD1 LEU 24 -14.770 -0.486 -0.150 175 1HD2 LEU 24 1HD2 LEU 24 -12.853 1.125 -1.542 176 2HD2 LEU 24 2HD2 LEU 24 -11.452 0.028 -1.593 177 3HD2 LEU 24 3HD2 LEU 24 -13.089 -0.604 -1.889 178 H THR 25 H THR 25 -9.991 1.445 0.049 179 HA THR 25 HA THR 25 -8.624 -0.979 0.047 180 HB THR 25 HB THR 25 -8.483 1.697 -1.256 181 HG1 THR 25 1HG THR 25 -9.427 -0.252 -2.182 182 1HG2 THR 25 1HG2 THR 25 -6.270 1.019 -2.354 183 2HG2 THR 25 2HG2 THR 25 -6.110 1.597 -0.678 184 3HG2 THR 25 3HG2 THR 25 -6.051 -0.148 -1.027 185 H SER 26 H SER 26 -7.612 2.221 1.413 186 HA SER 26 HA SER 26 -6.415 2.594 3.223 187 1HB SER 26 1HB SER 26 -5.689 -0.358 3.338 188 2HB SER 26 2HB SER 26 -5.477 0.834 4.633 189 HG SER 26 HG SER 26 -8.075 0.307 3.517 190 H HIS 27 H HIS 27 -4.963 3.837 1.951 191 HA HIS 27 HA HIS 27 -3.025 2.667 0.304 192 1HB HIS 27 1HB HIS 27 -3.400 5.413 1.482 193 2HB HIS 27 2HB HIS 27 -2.003 5.022 0.475 194 HD1 HIS 27 1HD HIS 27 -3.943 3.075 -1.394 195 HD2 HIS 27 2HD HIS 27 -4.359 7.162 -0.544 196 HE1 HIS 27 1HE HIS 27 -5.345 4.059 -3.284 197 HE2 HIS 27 2HE HIS 27 -5.571 6.580 -2.715 198 H TYR 28 H TYR 28 -1.470 4.961 2.335 199 HA TYR 28 HA TYR 28 0.154 4.827 3.840 200 1HB TYR 28 1HB TYR 28 -1.699 2.572 4.369 201 2HB TYR 28 2HB TYR 28 -0.058 2.176 4.887 202 HD1 TYR 28 1HD TYR 28 0.563 2.744 7.053 203 HD2 TYR 28 2HD TYR 28 -2.557 4.968 5.149 204 HE1 TYR 28 1HE TYR 28 0.177 4.054 9.197 205 HE2 TYR 28 2HE TYR 28 -2.932 6.270 7.299 206 HH TYR 28 HH TYR 28 -2.398 6.494 9.380 207 H CYS 29 H CYS 29 0.898 4.313 1.232 208 HA CYS 29 HA CYS 29 3.316 3.025 1.568 209 1HB CYS 29 1HB CYS 29 1.553 1.063 1.560 210 2HB CYS 29 2HB CYS 29 1.646 1.280 -0.191 211 H THR 30 H THR 30 4.398 2.746 -0.713 212 HA THR 30 HA THR 30 3.066 4.459 -2.692 213 HB THR 30 HB THR 30 5.896 4.725 -1.556 214 HG1 THR 30 1HG THR 30 3.529 6.438 -1.868 215 1HG2 THR 30 1HG2 THR 30 5.804 5.105 -4.079 216 2HG2 THR 30 2HG2 THR 30 4.556 6.339 -3.785 217 3HG2 THR 30 3HG2 THR 30 6.202 6.566 -3.145 218 H GLY 31 H GLY 31 6.009 2.406 -2.128 219 1HA GLY 31 1HA GLY 31 5.539 0.307 -3.681 220 2HA GLY 31 2HA GLY 31 5.873 1.521 -4.900 221 H LYS 32 H LYS 32 7.252 -0.802 -2.827 222 HA LYS 32 HA LYS 32 9.376 -1.478 -2.706 223 1HB LYS 32 1HB LYS 32 10.081 -0.713 -4.774 224 2HB LYS 32 2HB LYS 32 9.857 0.994 -4.354 225 1HG LYS 32 1HG LYS 32 11.827 -0.634 -2.768 226 2HG LYS 32 2HG LYS 32 12.289 -0.141 -4.407 227 1HD LYS 32 1HD LYS 32 11.273 2.205 -3.411 228 2HD LYS 32 2HD LYS 32 11.950 1.490 -1.937 229 1HE LYS 32 1HE LYS 32 13.947 1.033 -3.813 230 2HE LYS 32 2HE LYS 32 13.319 2.612 -4.313 231 1HZ LYS 32 1HZ LYS 32 13.535 2.729 -1.566 232 2HZ LYS 32 2HZ LYS 32 14.896 1.966 -2.031 233 3HZ LYS 32 3HZ LYS 32 14.514 3.426 -2.686 234 H SER 33 H SER 33 9.597 2.127 -2.289 235 HA SER 33 HA SER 33 11.076 1.840 0.059 236 1HB SER 33 1HB SER 33 11.306 3.844 -1.233 237 2HB SER 33 2HB SER 33 9.566 4.180 -1.168 238 HG SER 33 HG SER 33 9.934 4.314 1.257 239 H CYS 34 H CYS 34 8.279 4.011 0.249 240 HA CYS 34 HA CYS 34 7.034 4.245 2.146 241 1HB CYS 34 1HB CYS 34 5.021 2.879 1.905 242 2HB CYS 34 2HB CYS 34 5.559 3.577 0.375 243 H ASP 35 H ASP 35 5.654 1.348 2.818 244 HA ASP 35 HA ASP 35 6.751 -0.524 3.869 245 1HB ASP 35 1HB ASP 35 8.877 0.560 4.353 246 2HB ASP 35 2HB ASP 35 8.090 1.747 5.404 247 HD2 ASP 35 HD ASP 35 9.292 -1.743 6.771 248 H CYS 36 H CYS 36 4.200 0.571 3.878 249 HA CYS 36 HA CYS 36 3.540 0.480 6.716 250 1HB CYS 36 1HB CYS 36 3.215 2.769 4.970 251 2HB CYS 36 2HB CYS 36 1.661 2.224 5.606 252 HA PRO 37 HA PRO 37 0.431 -2.166 5.198 253 1HB PRO 37 1HB PRO 37 -1.577 -1.874 7.027 254 2HB PRO 37 2HB PRO 37 -0.150 -2.870 7.311 255 1HG PRO 37 1HG PRO 37 -0.829 -0.189 8.341 256 2HG PRO 37 2HG PRO 37 0.355 -1.377 8.996 257 1HD PRO 37 1HD PRO 37 0.867 1.021 7.515 258 2HD PRO 37 2HD PRO 37 2.057 -0.195 7.997 259 H LEU 38 H LEU 38 -1.306 -2.414 3.809 260 HA LEU 38 HA LEU 38 -2.731 0.114 3.366 261 1HB LEU 38 1HB LEU 38 -1.804 -1.800 1.234 262 2HB LEU 38 2HB LEU 38 -2.660 -0.267 0.991 263 HG LEU 38 HG LEU 38 -0.383 0.443 2.429 264 1HD1 LEU 38 1HD1 LEU 38 0.132 -2.031 0.965 265 2HD1 LEU 38 2HD1 LEU 38 1.206 -0.699 0.476 266 3HD1 LEU 38 3HD1 LEU 38 1.117 -1.188 2.184 267 1HD2 LEU 38 1HD2 LEU 38 -1.675 1.265 0.193 268 2HD2 LEU 38 2HD2 LEU 38 -0.094 1.884 0.727 269 3HD2 LEU 38 3HD2 LEU 38 -0.179 0.610 -0.513 270 H TYR 39 H TYR 39 -3.763 -1.638 5.172 271 HA TYR 39 HA TYR 39 -6.275 -2.144 4.291 272 1HB TYR 39 1HB TYR 39 -4.396 -3.901 3.087 273 2HB TYR 39 2HB TYR 39 -5.062 -4.864 4.410 274 HD1 TYR 39 1HD TYR 39 -7.576 -5.226 4.499 275 HD2 TYR 39 2HD TYR 39 -5.607 -3.553 1.089 276 HE1 TYR 39 1HE TYR 39 -9.596 -5.775 3.054 277 HE2 TYR 39 2HE TYR 39 -7.633 -4.107 -0.343 278 HH TYR 39 HH TYR 39 -10.055 -4.446 0.021 279 HA PRO 40 HA PRO 40 -6.378 -3.033 8.533 280 1HB PRO 40 1HB PRO 40 -9.050 -3.524 8.816 281 2HB PRO 40 2HB PRO 40 -8.366 -1.900 8.788 282 1HG PRO 40 1HG PRO 40 -9.823 -3.380 6.694 283 2HG PRO 40 2HG PRO 40 -9.563 -1.605 6.839 284 1HD PRO 40 1HD PRO 40 -8.273 -3.457 5.078 285 2HD PRO 40 2HD PRO 40 -7.868 -1.749 5.294 286 H GLY 41 H GLY 41 -6.618 -4.680 10.154 287 1HA GLY 41 1HA GLY 41 -5.952 -7.216 9.110 288 2HA GLY 41 2HA GLY 41 -6.333 -6.824 10.774 Start of MODEL 14 1 H CYS 1 H CYS 1 -2.946 -3.410 5.813 2 HA CYS 1 HA CYS 1 -1.067 -3.539 4.557 3 1HB CYS 1 1HB CYS 1 -0.219 -5.184 6.516 4 2HB CYS 1 2HB CYS 1 -0.366 -6.344 5.192 5 H THR 2 H THR 2 -0.394 -6.250 3.280 6 HA THR 2 HA THR 2 -2.850 -7.285 2.266 7 HB THR 2 HB THR 2 -1.351 -5.117 0.797 8 HG1 THR 2 1HG THR 2 -3.547 -4.581 0.477 9 1HG2 THR 2 1HG2 THR 2 -3.004 -7.215 -0.674 10 2HG2 THR 2 2HG2 THR 2 -2.000 -5.921 -1.369 11 3HG2 THR 2 3HG2 THR 2 -1.230 -7.328 -0.598 12 H THR 3 H THR 3 0.609 -7.126 2.608 13 HA THR 3 HA THR 3 0.757 -9.929 1.919 14 HB THR 3 HB THR 3 2.574 -7.949 0.469 15 HG1 THR 3 1HG THR 3 0.005 -9.210 -0.165 16 1HG2 THR 3 1HG2 THR 3 1.975 -10.909 0.355 17 2HG2 THR 3 2HG2 THR 3 2.316 -10.067 -1.176 18 3HG2 THR 3 3HG2 THR 3 3.527 -10.068 0.129 19 H GLY 4 H GLY 4 3.356 -7.447 2.039 20 1HA GLY 4 1HA GLY 4 4.002 -8.269 4.772 21 2HA GLY 4 2HA GLY 4 5.182 -8.610 3.520 22 HA PRO 5 HA PRO 5 6.571 -4.519 3.910 23 1HB PRO 5 1HB PRO 5 7.926 -4.199 1.560 24 2HB PRO 5 2HB PRO 5 8.601 -5.037 2.954 25 1HG PRO 5 1HG PRO 5 7.485 -6.118 0.448 26 2HG PRO 5 2HG PRO 5 8.586 -6.920 1.624 27 1HD PRO 5 1HD PRO 5 5.779 -7.342 1.241 28 2HD PRO 5 2HD PRO 5 6.786 -8.038 2.519 29 H CYS 6 H CYS 6 4.458 -5.414 1.409 30 HA CYS 6 HA CYS 6 2.810 -4.282 0.481 31 1HB CYS 6 1HB CYS 6 1.905 -2.454 1.432 32 2HB CYS 6 2HB CYS 6 2.948 -2.961 2.763 33 H CYS 7 H CYS 7 5.724 -2.131 0.885 34 HA CYS 7 HA CYS 7 5.500 -0.806 -1.507 35 1HB CYS 7 1HB CYS 7 7.361 -1.000 0.598 36 2HB CYS 7 2HB CYS 7 8.271 -1.277 -0.891 37 H ARG 8 H ARG 8 4.652 -2.655 -2.881 38 HA ARG 8 HA ARG 8 5.643 -3.430 -4.910 39 1HB ARG 8 1HB ARG 8 7.950 -3.610 -4.169 40 2HB ARG 8 2HB ARG 8 7.529 -4.830 -2.955 41 1HG ARG 8 1HG ARG 8 8.540 -5.930 -4.876 42 2HG ARG 8 2HG ARG 8 6.820 -6.365 -4.826 43 1HD ARG 8 1HD ARG 8 7.631 -3.948 -6.421 44 2HD ARG 8 2HD ARG 8 8.019 -5.539 -7.092 45 HE ARG 8 HE ARG 8 5.261 -5.329 -6.148 46 1HH1 ARG 8 2HH2 ARG 8 7.406 -4.694 -8.896 47 2HH1 ARG 8 1HH2 ARG 8 6.127 -4.733 -10.063 48 1HH2 ARG 8 2HH1 ARG 8 3.602 -5.378 -7.667 49 2HH2 ARG 8 1HH1 ARG 8 3.947 -5.123 -9.364 50 H GLN 9 H GLN 9 4.457 -4.616 -1.890 51 HA GLN 9 HA GLN 9 3.141 -6.778 -3.318 52 1HB GLN 9 1HB GLN 9 4.424 -6.967 -0.566 53 2HB GLN 9 2HB GLN 9 3.361 -8.208 -1.251 54 1HG GLN 9 1HG GLN 9 5.774 -7.250 -2.800 55 2HG GLN 9 2HG GLN 9 5.986 -8.429 -1.498 56 1HE2 GLN 9 1HE2 GLN 9 6.720 -9.877 -3.123 57 2HE2 GLN 9 2HE2 GLN 9 5.609 -10.759 -4.117 58 H CYS 10 H CYS 10 2.966 -6.132 0.196 59 HA CYS 10 HA CYS 10 0.295 -6.110 0.405 60 1HB CYS 10 1HB CYS 10 1.278 -6.087 2.433 61 2HB CYS 10 2HB CYS 10 2.494 -4.891 1.975 62 H LYS 11 H LYS 11 2.362 -3.725 -1.112 63 HA LYS 11 HA LYS 11 0.198 -1.760 -1.121 64 1HB LYS 11 1HB LYS 11 2.618 -1.228 -0.437 65 2HB LYS 11 2HB LYS 11 2.993 -1.318 -2.168 66 1HG LYS 11 1HG LYS 11 0.677 0.246 -2.064 67 2HG LYS 11 2HG LYS 11 1.591 0.779 -0.641 68 1HD LYS 11 1HD LYS 11 2.991 1.951 -1.959 69 2HD LYS 11 2HD LYS 11 3.408 0.492 -2.876 70 1HE LYS 11 1HE LYS 11 2.400 2.449 -4.202 71 2HE LYS 11 2HE LYS 11 1.641 0.868 -4.454 72 1HZ LYS 11 1HZ LYS 11 0.575 2.662 -2.380 73 2HZ LYS 11 2HZ LYS 11 0.178 2.943 -3.934 74 3HZ LYS 11 3HZ LYS 11 -0.167 1.484 -3.256 75 H LEU 12 H LEU 12 -0.381 -4.088 -2.535 76 HA LEU 12 HA LEU 12 0.456 -4.128 -5.172 77 1HB LEU 12 1HB LEU 12 -1.134 -5.708 -5.497 78 2HB LEU 12 2HB LEU 12 -0.921 -5.794 -3.739 79 HG LEU 12 HG LEU 12 -2.963 -3.993 -3.948 80 1HD1 LEU 12 1HD1 LEU 12 -4.495 -5.476 -5.605 81 2HD1 LEU 12 2HD1 LEU 12 -3.638 -3.996 -6.098 82 3HD1 LEU 12 3HD1 LEU 12 -2.926 -5.592 -6.439 83 1HD2 LEU 12 1HD2 LEU 12 -2.595 -6.729 -3.137 84 2HD2 LEU 12 2HD2 LEU 12 -3.706 -5.495 -2.496 85 3HD2 LEU 12 3HD2 LEU 12 -4.208 -6.522 -3.860 86 H LYS 13 H LYS 13 -1.639 -1.904 -3.460 87 HA LYS 13 HA LYS 13 -3.092 -1.011 -5.715 88 1HB LYS 13 1HB LYS 13 -3.789 0.804 -4.269 89 2HB LYS 13 2HB LYS 13 -3.882 -0.741 -3.408 90 1HG LYS 13 1HG LYS 13 -1.379 0.934 -3.224 91 2HG LYS 13 2HG LYS 13 -2.789 1.380 -2.248 92 1HD LYS 13 1HD LYS 13 -1.039 -1.064 -2.109 93 2HD LYS 13 2HD LYS 13 -1.655 -0.058 -0.789 94 1HE LYS 13 1HE LYS 13 -3.155 -2.132 -2.432 95 2HE LYS 13 2HE LYS 13 -2.843 -2.160 -0.690 96 1HZ LYS 13 1HZ LYS 13 -5.039 -1.391 -0.902 97 2HZ LYS 13 2HZ LYS 13 -4.213 -0.004 -0.683 98 3HZ LYS 13 3HZ LYS 13 -4.670 -0.451 -2.200 99 HA PRO 14 HA PRO 14 -0.302 1.757 -7.500 100 1HB PRO 14 1HB PRO 14 -1.855 3.871 -8.261 101 2HB PRO 14 2HB PRO 14 -1.778 2.357 -9.162 102 1HG PRO 14 1HG PRO 14 -3.869 3.382 -7.350 103 2HG PRO 14 2HG PRO 14 -4.003 2.105 -8.611 104 1HD PRO 14 1HD PRO 14 -3.867 1.793 -5.767 105 2HD PRO 14 2HD PRO 14 -3.839 0.499 -6.973 106 H ALA 15 H ALA 15 1.172 3.436 -7.231 107 HA ALA 15 HA ALA 15 1.993 4.230 -4.966 108 1HB ALA 15 1HB ALA 15 2.832 5.221 -7.015 109 2HB ALA 15 2HB ALA 15 1.333 6.159 -7.227 110 3HB ALA 15 3HB ALA 15 2.435 6.533 -5.879 111 H GLY 16 H GLY 16 0.929 4.465 -3.055 112 1HA GLY 16 1HA GLY 16 -1.596 5.950 -3.022 113 2HA GLY 16 2HA GLY 16 -0.955 4.915 -1.761 114 H THR 17 H THR 17 0.174 5.822 -0.061 115 HA THR 17 HA THR 17 1.543 8.326 -0.388 116 HB THR 17 HB THR 17 -0.850 8.234 1.513 117 HG1 THR 17 1HG THR 17 -0.516 9.457 -1.133 118 1HG2 THR 17 1HG2 THR 17 0.275 10.155 2.175 119 2HG2 THR 17 2HG2 THR 17 1.200 10.249 0.658 120 3HG2 THR 17 3HG2 THR 17 -0.480 10.832 0.712 121 H THR 18 H THR 18 2.094 9.087 2.099 122 HA THR 18 HA THR 18 3.504 6.761 3.118 123 HB THR 18 HB THR 18 3.695 9.758 3.264 124 HG1 THR 18 1HG THR 18 5.613 9.066 2.377 125 1HG2 THR 18 1HG2 THR 18 4.323 7.886 5.540 126 2HG2 THR 18 2HG2 THR 18 5.569 9.081 5.105 127 3HG2 THR 18 3HG2 THR 18 3.942 9.625 5.584 128 H CYS 19 H CYS 19 2.467 5.413 4.450 129 HA CYS 19 HA CYS 19 0.782 4.783 5.820 130 1HB CYS 19 1HB CYS 19 2.748 6.432 7.359 131 2HB CYS 19 2HB CYS 19 1.366 5.719 8.194 132 H TRP 20 H TRP 20 -0.932 6.037 4.593 133 HA TRP 20 HA TRP 20 -1.936 8.239 6.263 134 1HB TRP 20 1HB TRP 20 -0.991 8.648 3.809 135 2HB TRP 20 2HB TRP 20 -2.625 8.142 3.373 136 HD1 TRP 20 HD TRP 20 -4.442 10.037 3.500 137 HE1 TRP 20 1HE TRP 20 -4.639 12.506 4.409 138 HE3 TRP 20 3HE TRP 20 0.055 10.080 5.876 139 HZ2 TRP 20 2HZ TRP 20 -2.931 14.162 5.986 140 HZ3 TRP 20 3HZ TRP 20 0.713 12.162 7.077 141 HH2 TRP 20 HH TRP 20 -0.697 14.157 7.156 142 H LYS 21 H LYS 21 -2.888 5.875 3.657 143 HA LYS 21 HA LYS 21 -4.486 4.326 3.649 144 1HB LYS 21 1HB LYS 21 -5.066 3.357 5.560 145 2HB LYS 21 2HB LYS 21 -4.037 4.558 6.360 146 1HG LYS 21 1HG LYS 21 -6.185 4.604 7.447 147 2HG LYS 21 2HG LYS 21 -6.079 6.080 6.473 148 1HD LYS 21 1HD LYS 21 -7.939 5.488 5.353 149 2HD LYS 21 2HD LYS 21 -7.182 3.971 4.837 150 1HE LYS 21 1HE LYS 21 -8.803 4.512 7.352 151 2HE LYS 21 2HE LYS 21 -9.180 3.370 6.052 152 1HZ LYS 21 1HZ LYS 21 -7.565 2.961 8.350 153 2HZ LYS 21 2HZ LYS 21 -8.077 1.856 7.268 154 3HZ LYS 21 3HZ LYS 21 -6.697 2.703 6.977 155 H THR 22 H THR 22 -6.104 4.716 2.246 156 HA THR 22 HA THR 22 -7.456 7.259 2.347 157 HB THR 22 HB THR 22 -8.466 6.344 0.210 158 HG1 THR 22 1HG THR 22 -6.628 4.160 0.436 159 1HG2 THR 22 1HG2 THR 22 -6.447 6.307 -1.092 160 2HG2 THR 22 2HG2 THR 22 -6.055 7.352 0.294 161 3HG2 THR 22 3HG2 THR 22 -5.494 5.663 0.266 162 H SER 23 H SER 23 -8.777 3.894 2.053 163 HA SER 23 HA SER 23 -10.327 4.121 4.341 164 1HB SER 23 1HB SER 23 -11.507 5.208 1.838 165 2HB SER 23 2HB SER 23 -12.554 4.101 2.744 166 HG SER 23 HG SER 23 -11.194 6.353 3.944 167 H LEU 24 H LEU 24 -9.976 2.859 0.991 168 HA LEU 24 HA LEU 24 -10.707 0.212 2.039 169 1HB LEU 24 1HB LEU 24 -11.897 -0.298 0.189 170 2HB LEU 24 2HB LEU 24 -12.267 1.428 0.348 171 HG LEU 24 HG LEU 24 -10.026 0.502 -1.431 172 1HD1 LEU 24 1HD1 LEU 24 -12.388 -0.669 -1.806 173 2HD1 LEU 24 2HD1 LEU 24 -12.725 0.866 -2.641 174 3HD1 LEU 24 3HD1 LEU 24 -11.355 -0.146 -3.158 175 1HD2 LEU 24 1HD2 LEU 24 -11.735 2.705 -2.306 176 2HD2 LEU 24 2HD2 LEU 24 -10.980 2.994 -0.719 177 3HD2 LEU 24 3HD2 LEU 24 -9.965 2.618 -2.132 178 H THR 25 H THR 25 -8.629 2.183 -0.131 179 HA THR 25 HA THR 25 -6.966 -0.102 -0.738 180 HB THR 25 HB THR 25 -7.082 2.846 -1.482 181 HG1 THR 25 1HG THR 25 -7.964 1.786 -3.215 182 1HG2 THR 25 1HG2 THR 25 -5.013 0.949 -2.634 183 2HG2 THR 25 2HG2 THR 25 -5.036 2.730 -2.660 184 3HG2 THR 25 3HG2 THR 25 -4.618 1.867 -1.161 185 H SER 26 H SER 26 -7.015 2.647 1.519 186 HA SER 26 HA SER 26 -5.727 3.192 3.177 187 1HB SER 26 1HB SER 26 -5.373 0.222 3.049 188 2HB SER 26 2HB SER 26 -4.273 1.118 4.115 189 HG SER 26 HG SER 26 -7.115 0.798 4.252 190 H HIS 27 H HIS 27 -4.532 4.498 1.472 191 HA HIS 27 HA HIS 27 -2.096 3.436 0.467 192 1HB HIS 27 1HB HIS 27 -1.737 5.744 -0.342 193 2HB HIS 27 2HB HIS 27 -3.294 5.061 -0.827 194 HD1 HIS 27 1HD HIS 27 -4.141 5.805 2.430 195 HD2 HIS 27 2HD HIS 27 -3.159 8.272 -0.817 196 HE1 HIS 27 1HE HIS 27 -5.144 8.094 2.943 197 HE2 HIS 27 2HE HIS 27 -4.511 9.578 0.911 198 H TYR 28 H TYR 28 -0.753 2.756 2.153 199 HA TYR 28 HA TYR 28 0.077 4.898 3.995 200 1HB TYR 28 1HB TYR 28 -0.926 2.187 4.304 201 2HB TYR 28 2HB TYR 28 0.768 2.175 4.803 202 HD1 TYR 28 1HD TYR 28 -2.133 4.531 5.241 203 HD2 TYR 28 2HD TYR 28 1.022 2.315 7.097 204 HE1 TYR 28 1HE TYR 28 -2.804 5.461 7.510 205 HE2 TYR 28 2HE TYR 28 0.341 3.252 9.359 206 HH TYR 28 HH TYR 28 -2.559 5.226 9.692 207 H CYS 29 H CYS 29 0.990 3.601 1.177 208 HA CYS 29 HA CYS 29 3.790 3.856 1.869 209 1HB CYS 29 1HB CYS 29 3.130 1.560 0.103 210 2HB CYS 29 2HB CYS 29 4.515 1.813 1.170 211 H THR 30 H THR 30 4.856 3.222 -0.658 212 HA THR 30 HA THR 30 3.242 4.751 -2.569 213 HB THR 30 HB THR 30 6.055 5.354 -1.559 214 HG1 THR 30 1HG THR 30 4.427 6.604 -0.584 215 1HG2 THR 30 1HG2 THR 30 6.291 5.479 -3.988 216 2HG2 THR 30 2HG2 THR 30 4.687 6.236 -4.150 217 3HG2 THR 30 3HG2 THR 30 6.026 7.139 -3.400 218 H GLY 31 H GLY 31 5.223 2.070 -1.747 219 1HA GLY 31 1HA GLY 31 5.321 0.196 -3.143 220 2HA GLY 31 2HA GLY 31 5.167 1.221 -4.556 221 H LYS 32 H LYS 32 7.331 -0.611 -2.728 222 HA LYS 32 HA LYS 32 9.500 -0.989 -3.061 223 1HB LYS 32 1HB LYS 32 10.503 -0.321 -4.941 224 2HB LYS 32 2HB LYS 32 8.914 0.341 -5.362 225 1HG LYS 32 1HG LYS 32 10.527 2.084 -5.722 226 2HG LYS 32 2HG LYS 32 9.650 2.516 -4.242 227 1HD LYS 32 1HD LYS 32 11.692 2.733 -3.295 228 2HD LYS 32 2HD LYS 32 11.760 0.961 -3.288 229 1HE LYS 32 1HE LYS 32 12.564 1.447 -5.840 230 2HE LYS 32 2HE LYS 32 13.139 2.934 -5.072 231 1HZ LYS 32 1HZ LYS 32 13.747 0.563 -3.560 232 2HZ LYS 32 2HZ LYS 32 14.436 0.544 -5.034 233 3HZ LYS 32 3HZ LYS 32 14.704 1.817 -4.026 234 H SER 33 H SER 33 10.373 -0.756 -1.065 235 HA SER 33 HA SER 33 11.623 0.189 0.470 236 1HB SER 33 1HB SER 33 12.082 1.953 -1.539 237 2HB SER 33 2HB SER 33 11.268 3.031 -0.391 238 HG SER 33 HG SER 33 12.866 2.154 1.228 239 H CYS 34 H CYS 34 9.118 -0.478 1.109 240 HA CYS 34 HA CYS 34 8.341 1.644 2.912 241 1HB CYS 34 1HB CYS 34 6.187 0.355 1.270 242 2HB CYS 34 2HB CYS 34 6.104 1.806 2.273 243 H ASP 35 H ASP 35 6.355 0.610 4.308 244 HA ASP 35 HA ASP 35 6.330 -2.194 4.429 245 1HB ASP 35 1HB ASP 35 8.581 -1.547 5.500 246 2HB ASP 35 2HB ASP 35 7.641 -0.808 6.805 247 HD2 ASP 35 HD ASP 35 7.641 -2.462 8.574 248 H CYS 36 H CYS 36 4.341 -0.207 4.179 249 HA CYS 36 HA CYS 36 3.161 -0.158 6.862 250 1HB CYS 36 1HB CYS 36 3.218 1.866 4.681 251 2HB CYS 36 2HB CYS 36 1.762 1.759 5.673 252 HA PRO 37 HA PRO 37 -0.008 -2.539 5.052 253 1HB PRO 37 1HB PRO 37 -2.065 -2.082 6.791 254 2HB PRO 37 2HB PRO 37 -0.771 -3.234 7.111 255 1HG PRO 37 1HG PRO 37 -1.212 -0.524 8.194 256 2HG PRO 37 2HG PRO 37 -0.197 -1.851 8.867 257 1HD PRO 37 1HD PRO 37 0.648 0.515 7.493 258 2HD PRO 37 2HD PRO 37 1.672 -0.837 7.992 259 H LEU 38 H LEU 38 -1.683 -2.557 3.569 260 HA LEU 38 HA LEU 38 -2.920 0.072 3.215 261 1HB LEU 38 1HB LEU 38 -1.827 -1.594 0.959 262 2HB LEU 38 2HB LEU 38 -2.572 0.011 0.851 263 HG LEU 38 HG LEU 38 -0.433 0.373 2.592 264 1HD1 LEU 38 1HD1 LEU 38 1.336 -0.585 0.734 265 2HD1 LEU 38 2HD1 LEU 38 0.949 -1.362 2.289 266 3HD1 LEU 38 3HD1 LEU 38 0.126 -1.889 0.802 267 1HD2 LEU 38 1HD2 LEU 38 0.396 1.835 0.967 268 2HD2 LEU 38 2HD2 LEU 38 -0.240 0.855 -0.376 269 3HD2 LEU 38 3HD2 LEU 38 -1.356 1.780 0.657 270 H TYR 39 H TYR 39 -4.445 -1.399 4.606 271 HA TYR 39 HA TYR 39 -6.283 -2.632 2.695 272 1HB TYR 39 1HB TYR 39 -4.577 -3.921 4.637 273 2HB TYR 39 2HB TYR 39 -6.210 -3.973 5.310 274 HD1 TYR 39 1HD TYR 39 -6.921 -6.186 5.083 275 HD2 TYR 39 2HD TYR 39 -5.045 -4.253 1.759 276 HE1 TYR 39 1HE TYR 39 -7.441 -8.194 3.612 277 HE2 TYR 39 2HE TYR 39 -5.572 -6.267 0.300 278 HH TYR 39 HH TYR 39 -7.537 -8.922 1.532 279 HA PRO 40 HA PRO 40 -9.283 -0.632 5.084 280 1HB PRO 40 1HB PRO 40 -11.457 -2.270 4.865 281 2HB PRO 40 2HB PRO 40 -10.963 -1.150 3.597 282 1HG PRO 40 1HG PRO 40 -10.631 -4.075 3.778 283 2HG PRO 40 2HG PRO 40 -10.569 -3.027 2.315 284 1HD PRO 40 1HD PRO 40 -8.394 -4.246 3.722 285 2HD PRO 40 2HD PRO 40 -8.272 -3.095 2.387 286 H GLY 41 H GLY 41 -9.551 -4.080 5.831 287 1HA GLY 41 1HA GLY 41 -8.936 -4.913 7.952 288 2HA GLY 41 2HA GLY 41 -9.275 -3.351 8.670 Start of MODEL 15 1 H CYS 1 H CYS 1 -1.260 -3.589 6.307 2 HA CYS 1 HA CYS 1 -0.417 -3.849 4.259 3 1HB CYS 1 1HB CYS 1 1.816 -3.544 4.635 4 2HB CYS 1 2HB CYS 1 1.941 -4.896 5.765 5 H THR 2 H THR 2 -1.004 -5.461 2.727 6 HA THR 2 HA THR 2 -2.352 -7.726 3.794 7 HB THR 2 HB THR 2 -1.619 -7.148 0.885 8 HG1 THR 2 1HG THR 2 -2.598 -5.234 1.537 9 1HG2 THR 2 1HG2 THR 2 -2.909 -9.261 1.363 10 2HG2 THR 2 2HG2 THR 2 -4.127 -8.289 2.226 11 3HG2 THR 2 3HG2 THR 2 -3.889 -8.067 0.476 12 H THR 3 H THR 3 0.363 -7.598 1.389 13 HA THR 3 HA THR 3 1.016 -10.321 1.923 14 HB THR 3 HB THR 3 2.581 -8.136 0.454 15 HG1 THR 3 1HG THR 3 0.457 -10.039 -0.235 16 1HG2 THR 3 1HG2 THR 3 3.494 -9.975 -0.850 17 2HG2 THR 3 2HG2 THR 3 3.731 -10.404 0.860 18 3HG2 THR 3 3HG2 THR 3 2.404 -11.145 -0.067 19 H GLY 4 H GLY 4 3.647 -7.963 1.898 20 1HA GLY 4 1HA GLY 4 4.225 -8.682 4.708 21 2HA GLY 4 2HA GLY 4 5.446 -8.720 3.453 22 HA PRO 5 HA PRO 5 6.157 -4.532 4.378 23 1HB PRO 5 1HB PRO 5 7.846 -3.903 2.325 24 2HB PRO 5 2HB PRO 5 8.379 -4.712 3.797 25 1HG PRO 5 1HG PRO 5 7.894 -5.805 1.100 26 2HG PRO 5 2HG PRO 5 8.875 -6.507 2.435 27 1HD PRO 5 1HD PRO 5 6.273 -7.293 1.535 28 2HD PRO 5 2HD PRO 5 7.128 -7.909 2.955 29 H CYS 6 H CYS 6 4.237 -5.602 1.984 30 HA CYS 6 HA CYS 6 2.644 -4.630 0.827 31 1HB CYS 6 1HB CYS 6 1.729 -2.583 1.416 32 2HB CYS 6 2HB CYS 6 2.409 -3.214 2.919 33 H CYS 7 H CYS 7 5.426 -2.296 1.147 34 HA CYS 7 HA CYS 7 5.248 -1.253 -1.394 35 1HB CYS 7 1HB CYS 7 7.292 -1.389 0.725 36 2HB CYS 7 2HB CYS 7 7.913 -1.100 -0.902 37 H ARG 8 H ARG 8 4.947 -2.748 -3.081 38 HA ARG 8 HA ARG 8 6.068 -3.802 -4.760 39 1HB ARG 8 1HB ARG 8 8.258 -3.747 -3.489 40 2HB ARG 8 2HB ARG 8 7.755 -5.215 -2.635 41 1HG ARG 8 1HG ARG 8 9.172 -5.869 -4.479 42 2HG ARG 8 2HG ARG 8 7.516 -6.346 -4.894 43 1HD ARG 8 1HD ARG 8 7.913 -5.257 -6.851 44 2HD ARG 8 2HD ARG 8 7.649 -3.774 -5.921 45 HE ARG 8 HE ARG 8 10.316 -4.305 -5.489 46 1HH1 ARG 8 2HH2 ARG 8 8.373 -4.063 -8.442 47 2HH1 ARG 8 1HH2 ARG 8 9.696 -3.519 -9.416 48 1HH2 ARG 8 2HH1 ARG 8 12.034 -3.598 -6.759 49 2HH2 ARG 8 1HH1 ARG 8 11.794 -3.252 -8.459 50 H GLN 9 H GLN 9 4.101 -4.544 -2.281 51 HA GLN 9 HA GLN 9 3.339 -7.027 -3.499 52 1HB GLN 9 1HB GLN 9 3.938 -6.851 -0.521 53 2HB GLN 9 2HB GLN 9 3.231 -8.254 -1.344 54 1HG GLN 9 1HG GLN 9 5.290 -8.410 -2.756 55 2HG GLN 9 2HG GLN 9 5.996 -7.060 -1.854 56 1HE2 GLN 9 1HE2 GLN 9 7.210 -9.527 -2.041 57 2HE2 GLN 9 2HE2 GLN 9 7.227 -10.313 -0.497 58 H CYS 10 H CYS 10 2.550 -5.644 -0.251 59 HA CYS 10 HA CYS 10 -0.210 -5.741 -0.817 60 1HB CYS 10 1HB CYS 10 0.626 -3.999 1.386 61 2HB CYS 10 2HB CYS 10 -0.492 -5.367 1.371 62 H LYS 11 H LYS 11 2.378 -3.501 -1.473 63 HA LYS 11 HA LYS 11 0.643 -1.198 -1.613 64 1HB LYS 11 1HB LYS 11 2.520 -0.006 -1.527 65 2HB LYS 11 2HB LYS 11 3.310 -1.529 -1.079 66 1HG LYS 11 1HG LYS 11 4.642 -0.999 -2.866 67 2HG LYS 11 2HG LYS 11 3.346 -1.783 -3.786 68 1HD LYS 11 1HD LYS 11 2.296 0.661 -3.742 69 2HD LYS 11 2HD LYS 11 3.976 1.155 -3.469 70 1HE LYS 11 1HE LYS 11 4.685 0.088 -5.529 71 2HE LYS 11 2HE LYS 11 3.099 -0.666 -5.757 72 1HZ LYS 11 1HZ LYS 11 3.605 2.263 -5.770 73 2HZ LYS 11 2HZ LYS 11 3.374 1.357 -7.104 74 3HZ LYS 11 3HZ LYS 11 2.163 1.506 -6.003 75 H LEU 12 H LEU 12 0.078 -3.653 -3.253 76 HA LEU 12 HA LEU 12 0.810 -2.998 -5.926 77 1HB LEU 12 1HB LEU 12 -0.398 -4.885 -6.548 78 2HB LEU 12 2HB LEU 12 0.363 -5.288 -5.001 79 HG LEU 12 HG LEU 12 -2.311 -4.223 -4.621 80 1HD1 LEU 12 1HD1 LEU 12 -2.482 -6.872 -5.958 81 2HD1 LEU 12 2HD1 LEU 12 -3.654 -5.533 -5.890 82 3HD1 LEU 12 3HD1 LEU 12 -2.269 -5.448 -7.004 83 1HD2 LEU 12 1HD2 LEU 12 -0.995 -6.869 -3.953 84 2HD2 LEU 12 2HD2 LEU 12 -1.131 -5.438 -2.904 85 3HD2 LEU 12 3HD2 LEU 12 -2.591 -6.343 -3.368 86 H LYS 13 H LYS 13 -1.009 -1.280 -3.842 87 HA LYS 13 HA LYS 13 -3.394 -0.902 -5.327 88 1HB LYS 13 1HB LYS 13 -2.403 1.215 -3.499 89 2HB LYS 13 2HB LYS 13 -4.010 0.480 -3.626 90 1HG LYS 13 1HG LYS 13 -3.490 -0.759 -1.817 91 2HG LYS 13 2HG LYS 13 -2.295 -1.618 -2.805 92 1HD LYS 13 1HD LYS 13 -1.929 0.595 -0.813 93 2HD LYS 13 2HD LYS 13 -0.922 -0.836 -1.095 94 1HE LYS 13 1HE LYS 13 0.488 0.638 -2.105 95 2HE LYS 13 2HE LYS 13 -0.622 0.521 -3.479 96 1HZ LYS 13 1HZ LYS 13 -0.812 2.741 -3.168 97 2HZ LYS 13 2HZ LYS 13 -1.786 2.396 -1.910 98 3HZ LYS 13 3HZ LYS 13 -0.185 2.663 -1.650 99 HA PRO 14 HA PRO 14 -2.253 2.367 -7.962 100 1HB PRO 14 1HB PRO 14 -3.656 4.620 -7.314 101 2HB PRO 14 2HB PRO 14 -4.358 3.267 -8.197 102 1HG PRO 14 1HG PRO 14 -4.667 4.053 -5.371 103 2HG PRO 14 2HG PRO 14 -5.734 2.995 -6.364 104 1HD PRO 14 1HD PRO 14 -3.858 2.231 -4.339 105 2HD PRO 14 2HD PRO 14 -4.765 1.145 -5.401 106 H ALA 15 H ALA 15 -1.038 2.362 -5.043 107 HA ALA 15 HA ALA 15 0.800 3.282 -4.205 108 1HB ALA 15 1HB ALA 15 1.438 3.384 -6.719 109 2HB ALA 15 2HB ALA 15 1.038 5.116 -6.603 110 3HB ALA 15 3HB ALA 15 2.329 4.431 -5.587 111 H GLY 16 H GLY 16 0.707 4.645 -2.489 112 1HA GLY 16 1HA GLY 16 -0.583 7.265 -2.877 113 2HA GLY 16 2HA GLY 16 -1.132 6.198 -1.599 114 H THR 17 H THR 17 -0.488 7.745 0.035 115 HA THR 17 HA THR 17 2.277 8.531 0.180 116 HB THR 17 HB THR 17 0.334 8.848 2.464 117 HG1 THR 17 1HG THR 17 0.227 10.009 -0.232 118 1HG2 THR 17 1HG2 THR 17 1.218 11.339 1.496 119 2HG2 THR 17 2HG2 THR 17 1.911 10.461 2.879 120 3HG2 THR 17 3HG2 THR 17 2.624 10.273 1.259 121 H THR 18 H THR 18 3.795 7.965 1.800 122 HA THR 18 HA THR 18 4.091 5.295 2.268 123 HB THR 18 HB THR 18 5.637 7.448 2.613 124 HG1 THR 18 1HG THR 18 5.543 5.021 4.260 125 1HG2 THR 18 1HG2 THR 18 6.058 7.802 5.055 126 2HG2 THR 18 2HG2 THR 18 4.425 8.346 4.605 127 3HG2 THR 18 3HG2 THR 18 4.646 6.789 5.437 128 H CYS 19 H CYS 19 1.884 7.495 3.850 129 HA CYS 19 HA CYS 19 0.748 5.301 5.252 130 1HB CYS 19 1HB CYS 19 2.359 7.333 6.744 131 2HB CYS 19 2HB CYS 19 0.907 6.656 7.488 132 H TRP 20 H TRP 20 -0.667 6.370 3.436 133 HA TRP 20 HA TRP 20 -1.900 8.851 4.343 134 1HB TRP 20 1HB TRP 20 -1.185 7.908 1.857 135 2HB TRP 20 2HB TRP 20 -2.928 7.631 1.895 136 HD1 TRP 20 HD TRP 20 -3.907 9.647 0.535 137 HE1 TRP 20 1HE TRP 20 -3.749 12.281 0.533 138 HE3 TRP 20 3HE TRP 20 -0.231 9.952 4.034 139 HZ2 TRP 20 2HZ TRP 20 -2.139 14.155 1.963 140 HZ3 TRP 20 3HZ TRP 20 0.577 12.222 4.674 141 HH2 TRP 20 HH TRP 20 -0.315 14.277 3.700 142 H LYS 21 H LYS 21 -3.184 5.813 2.817 143 HA LYS 21 HA LYS 21 -4.832 4.458 3.397 144 1HB LYS 21 1HB LYS 21 -4.253 3.844 5.467 145 2HB LYS 21 2HB LYS 21 -3.979 5.506 6.020 146 1HG LYS 21 1HG LYS 21 -5.862 4.624 7.245 147 2HG LYS 21 2HG LYS 21 -6.505 5.798 6.084 148 1HD LYS 21 1HD LYS 21 -7.273 4.060 4.623 149 2HD LYS 21 2HD LYS 21 -6.354 2.815 5.487 150 1HE LYS 21 1HE LYS 21 -8.328 4.384 7.095 151 2HE LYS 21 2HE LYS 21 -9.010 3.275 5.895 152 1HZ LYS 21 1HZ LYS 21 -8.697 1.787 7.568 153 2HZ LYS 21 2HZ LYS 21 -7.148 1.738 7.066 154 3HZ LYS 21 3HZ LYS 21 -7.571 2.724 8.313 155 H THR 22 H THR 22 -6.773 4.747 2.455 156 HA THR 22 HA THR 22 -8.112 7.320 2.918 157 HB THR 22 HB THR 22 -9.158 6.886 0.747 158 HG1 THR 22 1HG THR 22 -7.673 4.376 0.784 159 1HG2 THR 22 1HG2 THR 22 -6.674 7.548 0.678 160 2HG2 THR 22 2HG2 THR 22 -6.303 5.814 0.518 161 3HG2 THR 22 3HG2 THR 22 -7.246 6.642 -0.744 162 H SER 23 H SER 23 -10.574 5.845 1.709 163 HA SER 23 HA SER 23 -11.399 4.774 4.293 164 1HB SER 23 1HB SER 23 -12.571 6.742 2.522 165 2HB SER 23 2HB SER 23 -13.696 5.388 2.722 166 HG SER 23 HG SER 23 -13.134 7.411 4.450 167 H LEU 24 H LEU 24 -10.188 3.650 1.548 168 HA LEU 24 HA LEU 24 -12.129 1.453 1.384 169 1HB LEU 24 1HB LEU 24 -11.559 1.258 -1.001 170 2HB LEU 24 2HB LEU 24 -12.438 2.740 -0.584 171 HG LEU 24 HG LEU 24 -9.546 3.118 -0.553 172 1HD1 LEU 24 1HD1 LEU 24 -9.499 1.381 -2.233 173 2HD1 LEU 24 2HD1 LEU 24 -10.808 2.177 -3.142 174 3HD1 LEU 24 3HD1 LEU 24 -9.216 2.964 -2.999 175 1HD2 LEU 24 1HD2 LEU 24 -11.994 4.488 -1.436 176 2HD2 LEU 24 2HD2 LEU 24 -10.495 5.138 -0.728 177 3HD2 LEU 24 3HD2 LEU 24 -10.574 4.780 -2.469 178 H THR 25 H THR 25 -8.736 2.611 1.132 179 HA THR 25 HA THR 25 -7.860 0.052 2.172 180 HB THR 25 HB THR 25 -7.539 0.935 -0.667 181 HG1 THR 25 1HG THR 25 -7.100 -1.539 0.851 182 1HG2 THR 25 1HG2 THR 25 -5.202 1.220 -0.118 183 2HG2 THR 25 2HG2 THR 25 -5.239 -0.138 1.034 184 3HG2 THR 25 3HG2 THR 25 -5.344 -0.452 -0.715 185 H SER 26 H SER 26 -5.624 0.103 2.940 186 HA SER 26 HA SER 26 -5.087 2.730 3.950 187 1HB SER 26 1HB SER 26 -4.593 0.002 4.764 188 2HB SER 26 2HB SER 26 -3.061 0.894 4.772 189 HG SER 26 HG SER 26 -3.839 1.398 6.748 190 H HIS 27 H HIS 27 -4.515 3.617 1.755 191 HA HIS 27 HA HIS 27 -2.589 2.700 0.106 192 1HB HIS 27 1HB HIS 27 -3.102 5.574 0.897 193 2HB HIS 27 2HB HIS 27 -2.238 5.053 -0.554 194 HD1 HIS 27 1HD HIS 27 -4.086 6.305 -1.984 195 HD2 HIS 27 2HD HIS 27 -5.482 3.069 0.291 196 HE1 HIS 27 1HE HIS 27 -6.408 5.748 -2.883 197 HE2 HIS 27 2HE HIS 27 -7.225 3.750 -1.445 198 H TYR 28 H TYR 28 -2.211 3.649 3.409 199 HA TYR 28 HA TYR 28 0.105 4.801 3.800 200 1HB TYR 28 1HB TYR 28 -1.358 2.436 4.879 201 2HB TYR 28 2HB TYR 28 0.356 2.413 5.303 202 HD1 TYR 28 1HD TYR 28 -2.277 5.093 5.099 203 HD2 TYR 28 2HD TYR 28 0.707 3.146 7.470 204 HE1 TYR 28 1HE TYR 28 -2.738 6.700 7.015 205 HE2 TYR 28 2HE TYR 28 0.236 4.760 9.376 206 HH TYR 28 HH TYR 28 -1.612 7.581 8.934 207 H CYS 29 H CYS 29 1.530 4.700 1.970 208 HA CYS 29 HA CYS 29 3.707 3.227 2.152 209 1HB CYS 29 1HB CYS 29 1.593 1.456 1.351 210 2HB CYS 29 2HB CYS 29 2.801 1.557 0.066 211 H THR 30 H THR 30 4.521 2.674 -0.450 212 HA THR 30 HA THR 30 3.479 4.737 -2.200 213 HB THR 30 HB THR 30 5.026 6.160 -1.121 214 HG1 THR 30 1HG THR 30 6.721 4.609 -2.934 215 1HG2 THR 30 1HG2 THR 30 6.390 3.604 -0.469 216 2HG2 THR 30 2HG2 THR 30 7.511 4.895 -0.965 217 3HG2 THR 30 3HG2 THR 30 6.414 5.151 0.414 218 H GLY 31 H GLY 31 6.342 2.544 -1.771 219 1HA GLY 31 1HA GLY 31 5.741 0.565 -3.472 220 2HA GLY 31 2HA GLY 31 6.204 1.840 -4.583 221 H LYS 32 H LYS 32 7.351 -0.761 -2.757 222 HA LYS 32 HA LYS 32 9.348 -1.354 -1.935 223 1HB LYS 32 1HB LYS 32 11.183 -0.934 -3.733 224 2HB LYS 32 2HB LYS 32 9.815 -2.001 -4.097 225 1HG LYS 32 1HG LYS 32 10.017 -0.586 -5.992 226 2HG LYS 32 2HG LYS 32 8.665 0.104 -5.077 227 1HD LYS 32 1HD LYS 32 9.801 2.059 -5.271 228 2HD LYS 32 2HD LYS 32 10.841 1.427 -3.983 229 1HE LYS 32 1HE LYS 32 12.542 0.841 -5.472 230 2HE LYS 32 2HE LYS 32 11.440 0.671 -6.846 231 1HZ LYS 32 1HZ LYS 32 11.153 3.230 -6.463 232 2HZ LYS 32 2HZ LYS 32 12.595 3.124 -5.711 233 3HZ LYS 32 3HZ LYS 32 12.452 2.632 -7.274 234 H SER 33 H SER 33 8.403 1.339 -1.078 235 HA SER 33 HA SER 33 10.897 2.161 0.001 236 1HB SER 33 1HB SER 33 10.484 3.334 -2.346 237 2HB SER 33 2HB SER 33 9.414 4.382 -1.399 238 HG SER 33 HG SER 33 11.734 4.108 -0.030 239 H CYS 34 H CYS 34 8.736 1.032 1.283 240 HA CYS 34 HA CYS 34 7.920 3.199 2.976 241 1HB CYS 34 1HB CYS 34 5.562 2.823 2.847 242 2HB CYS 34 2HB CYS 34 6.178 3.260 1.252 243 H ASP 35 H ASP 35 5.751 1.443 4.137 244 HA ASP 35 HA ASP 35 6.534 -1.089 4.636 245 1HB ASP 35 1HB ASP 35 8.468 0.561 5.722 246 2HB ASP 35 2HB ASP 35 7.399 0.316 7.110 247 HD2 ASP 35 HD ASP 35 9.183 -2.486 5.063 248 H CYS 36 H CYS 36 4.211 0.681 4.413 249 HA CYS 36 HA CYS 36 3.098 0.472 7.116 250 1HB CYS 36 1HB CYS 36 2.591 2.396 4.872 251 2HB CYS 36 2HB CYS 36 1.356 2.108 6.101 252 HA PRO 37 HA PRO 37 0.102 -2.247 5.484 253 1HB PRO 37 1HB PRO 37 -2.260 -1.486 6.627 254 2HB PRO 37 2HB PRO 37 -1.036 -2.424 7.479 255 1HG PRO 37 1HG PRO 37 -1.718 0.439 7.690 256 2HG PRO 37 2HG PRO 37 -0.834 -0.595 8.869 257 1HD PRO 37 1HD PRO 37 0.226 1.379 7.086 258 2HD PRO 37 2HD PRO 37 1.153 0.276 8.113 259 H LEU 38 H LEU 38 -1.607 -2.750 3.989 260 HA LEU 38 HA LEU 38 -2.706 -0.415 2.672 261 1HB LEU 38 1HB LEU 38 -0.942 -2.402 1.252 262 2HB LEU 38 2HB LEU 38 -1.947 -1.179 0.455 263 HG LEU 38 HG LEU 38 0.200 -0.450 2.447 264 1HD1 LEU 38 1HD1 LEU 38 1.874 -0.745 1.001 265 2HD1 LEU 38 2HD1 LEU 38 0.757 -1.818 0.123 266 3HD1 LEU 38 3HD1 LEU 38 0.928 -0.115 -0.368 267 1HD2 LEU 38 1HD2 LEU 38 -0.139 1.459 0.370 268 2HD2 LEU 38 2HD2 LEU 38 -1.756 1.010 0.964 269 3HD2 LEU 38 3HD2 LEU 38 -0.526 1.614 2.101 270 H TYR 39 H TYR 39 -4.126 -2.040 4.305 271 HA TYR 39 HA TYR 39 -5.796 -3.447 2.382 272 1HB TYR 39 1HB TYR 39 -5.602 -5.511 3.566 273 2HB TYR 39 2HB TYR 39 -3.951 -4.897 3.691 274 HD1 TYR 39 1HD TYR 39 -3.573 -3.309 5.837 275 HD2 TYR 39 2HD TYR 39 -6.599 -6.315 5.485 276 HE1 TYR 39 1HE TYR 39 -3.737 -3.454 8.370 277 HE2 TYR 39 2HE TYR 39 -6.752 -6.449 8.019 278 HH TYR 39 HH TYR 39 -6.225 -5.396 9.909 279 HA PRO 40 HA PRO 40 -8.902 -1.801 4.901 280 1HB PRO 40 1HB PRO 40 -11.003 -3.459 4.355 281 2HB PRO 40 2HB PRO 40 -10.508 -2.148 3.287 282 1HG PRO 40 1HG PRO 40 -10.069 -5.055 3.048 283 2HG PRO 40 2HG PRO 40 -9.997 -3.799 1.759 284 1HD PRO 40 1HD PRO 40 -7.826 -5.142 3.057 285 2HD PRO 40 2HD PRO 40 -7.704 -3.801 1.912 286 H GLY 41 H GLY 41 -10.723 -2.362 6.565 287 1HA GLY 41 1HA GLY 41 -9.500 -3.347 8.808 288 2HA GLY 41 2HA GLY 41 -11.232 -3.311 8.543 Start of MODEL 16 1 H CYS 1 H CYS 1 -2.587 -3.408 5.699 2 HA CYS 1 HA CYS 1 -0.742 -3.625 4.322 3 1HB CYS 1 1HB CYS 1 0.252 -5.130 6.362 4 2HB CYS 1 2HB CYS 1 0.004 -6.360 5.119 5 H THR 2 H THR 2 -0.488 -5.205 2.371 6 HA THR 2 HA THR 2 -2.995 -6.720 2.045 7 HB THR 2 HB THR 2 -1.437 -5.049 0.002 8 HG1 THR 2 1HG THR 2 -3.654 -3.911 0.269 9 1HG2 THR 2 1HG2 THR 2 -3.522 -5.357 -1.367 10 2HG2 THR 2 2HG2 THR 2 -2.689 -6.905 -1.087 11 3HG2 THR 2 3HG2 THR 2 -4.137 -6.491 -0.140 12 H THR 3 H THR 3 0.381 -6.873 2.321 13 HA THR 3 HA THR 3 0.337 -9.623 1.484 14 HB THR 3 HB THR 3 2.212 -7.680 0.046 15 HG1 THR 3 1HG THR 3 -0.184 -9.087 -0.882 16 1HG2 THR 3 1HG2 THR 3 1.560 -10.636 -0.112 17 2HG2 THR 3 2HG2 THR 3 1.965 -9.766 -1.612 18 3HG2 THR 3 3HG2 THR 3 3.139 -9.826 -0.274 19 H GLY 4 H GLY 4 3.353 -7.844 1.339 20 1HA GLY 4 1HA GLY 4 4.101 -9.074 3.903 21 2HA GLY 4 2HA GLY 4 5.185 -8.557 2.626 22 HA PRO 5 HA PRO 5 5.615 -4.997 5.140 23 1HB PRO 5 1HB PRO 5 7.665 -3.842 3.753 24 2HB PRO 5 2HB PRO 5 7.912 -5.063 5.000 25 1HG PRO 5 1HG PRO 5 8.028 -5.304 2.063 26 2HG PRO 5 2HG PRO 5 8.736 -6.395 3.308 27 1HD PRO 5 1HD PRO 5 6.401 -6.806 1.701 28 2HD PRO 5 2HD PRO 5 6.966 -7.835 3.023 29 H CYS 6 H CYS 6 4.937 -5.052 1.780 30 HA CYS 6 HA CYS 6 3.391 -3.797 0.751 31 1HB CYS 6 1HB CYS 6 2.058 -2.395 1.828 32 2HB CYS 6 2HB CYS 6 2.912 -2.918 3.283 33 H CYS 7 H CYS 7 4.454 -3.149 -1.093 34 HA CYS 7 HA CYS 7 5.312 -0.965 -1.934 35 1HB CYS 7 1HB CYS 7 7.141 -1.534 0.322 36 2HB CYS 7 2HB CYS 7 7.890 -0.900 -1.147 37 H ARG 8 H ARG 8 4.752 -3.370 -3.035 38 HA ARG 8 HA ARG 8 6.168 -3.796 -5.081 39 1HB ARG 8 1HB ARG 8 8.330 -3.884 -4.067 40 2HB ARG 8 2HB ARG 8 7.791 -5.003 -2.802 41 1HG ARG 8 1HG ARG 8 9.136 -6.180 -4.488 42 2HG ARG 8 2HG ARG 8 7.466 -6.770 -4.534 43 1HD ARG 8 1HD ARG 8 7.680 -4.518 -6.313 44 2HD ARG 8 2HD ARG 8 9.023 -5.615 -6.667 45 HE ARG 8 HE ARG 8 6.255 -6.057 -7.289 46 1HH1 ARG 8 2HH2 ARG 8 9.100 -7.810 -6.112 47 2HH1 ARG 8 1HH2 ARG 8 8.563 -9.340 -6.723 48 1HH2 ARG 8 2HH1 ARG 8 5.562 -8.045 -8.082 49 2HH2 ARG 8 1HH1 ARG 8 6.540 -9.480 -7.852 50 H GLN 9 H GLN 9 4.493 -5.070 -2.363 51 HA GLN 9 HA GLN 9 3.316 -7.070 -4.019 52 1HB GLN 9 1HB GLN 9 5.189 -7.764 -1.792 53 2HB GLN 9 2HB GLN 9 3.721 -8.746 -1.942 54 1HG GLN 9 1HG GLN 9 4.563 -8.612 -4.558 55 2HG GLN 9 2HG GLN 9 6.115 -8.593 -3.706 56 1HE2 GLN 9 1HE2 GLN 9 4.730 -10.613 -5.400 57 2HE2 GLN 9 2HE2 GLN 9 4.686 -12.077 -4.476 58 H CYS 10 H CYS 10 3.689 -5.531 -0.786 59 HA CYS 10 HA CYS 10 0.890 -6.110 -0.239 60 1HB CYS 10 1HB CYS 10 1.967 -6.632 1.673 61 2HB CYS 10 2HB CYS 10 3.271 -5.472 1.411 62 H LYS 11 H LYS 11 2.147 -4.110 -2.269 63 HA LYS 11 HA LYS 11 0.653 -1.787 -1.285 64 1HB LYS 11 1HB LYS 11 2.303 -0.283 -1.899 65 2HB LYS 11 2HB LYS 11 3.217 -1.585 -1.122 66 1HG LYS 11 1HG LYS 11 4.482 -1.463 -3.017 67 2HG LYS 11 2HG LYS 11 3.199 -2.466 -3.717 68 1HD LYS 11 1HD LYS 11 2.053 -0.408 -4.511 69 2HD LYS 11 2HD LYS 11 3.351 0.585 -3.822 70 1HE LYS 11 1HE LYS 11 3.911 0.370 -6.117 71 2HE LYS 11 2HE LYS 11 4.953 -0.815 -5.315 72 1HZ LYS 11 1HZ LYS 11 3.626 -1.571 -7.358 73 2HZ LYS 11 2HZ LYS 11 3.582 -2.558 -6.063 74 3HZ LYS 11 3HZ LYS 11 2.320 -1.546 -6.360 75 H LEU 12 H LEU 12 0.775 -4.302 -3.416 76 HA LEU 12 HA LEU 12 0.630 -3.704 -5.917 77 1HB LEU 12 1HB LEU 12 -1.138 -5.212 -6.238 78 2HB LEU 12 2HB LEU 12 -0.223 -5.768 -4.826 79 HG LEU 12 HG LEU 12 -2.096 -4.417 -3.525 80 1HD1 LEU 12 1HD1 LEU 12 -3.186 -4.705 -6.279 81 2HD1 LEU 12 2HD1 LEU 12 -4.288 -5.045 -4.922 82 3HD1 LEU 12 3HD1 LEU 12 -3.487 -3.460 -5.043 83 1HD2 LEU 12 1HD2 LEU 12 -1.540 -6.875 -3.439 84 2HD2 LEU 12 2HD2 LEU 12 -3.244 -6.458 -3.133 85 3HD2 LEU 12 3HD2 LEU 12 -2.759 -7.118 -4.714 86 H LYS 13 H LYS 13 -1.752 -2.424 -3.536 87 HA LYS 13 HA LYS 13 -3.485 -1.190 -5.241 88 1HB LYS 13 1HB LYS 13 -4.313 -0.207 -3.394 89 2HB LYS 13 2HB LYS 13 -3.246 -1.359 -2.574 90 1HG LYS 13 1HG LYS 13 -2.179 1.339 -3.401 91 2HG LYS 13 2HG LYS 13 -3.184 1.221 -1.946 92 1HD LYS 13 1HD LYS 13 -1.468 0.364 -0.764 93 2HD LYS 13 2HD LYS 13 -1.176 -0.896 -1.977 94 1HE LYS 13 1HE LYS 13 0.807 0.559 -1.663 95 2HE LYS 13 2HE LYS 13 0.175 0.700 -3.311 96 1HZ LYS 13 1HZ LYS 13 0.694 2.815 -1.823 97 2HZ LYS 13 2HZ LYS 13 -0.527 2.833 -2.900 98 3HZ LYS 13 3HZ LYS 13 -0.845 2.528 -1.317 99 HA PRO 14 HA PRO 14 -1.482 2.251 -6.931 100 1HB PRO 14 1HB PRO 14 -3.137 4.390 -6.542 101 2HB PRO 14 2HB PRO 14 -3.412 3.172 -7.785 102 1HG PRO 14 1HG PRO 14 -4.741 3.553 -5.180 103 2HG PRO 14 2HG PRO 14 -5.329 2.645 -6.618 104 1HD PRO 14 1HD PRO 14 -4.256 1.606 -4.174 105 2HD PRO 14 2HD PRO 14 -4.672 0.680 -5.622 106 H ALA 15 H ALA 15 -0.046 4.018 -6.750 107 HA ALA 15 HA ALA 15 1.285 4.126 -4.376 108 1HB ALA 15 1HB ALA 15 0.957 6.265 -6.520 109 2HB ALA 15 2HB ALA 15 2.220 6.269 -5.264 110 3HB ALA 15 3HB ALA 15 2.179 4.972 -6.481 111 H GLY 16 H GLY 16 1.239 5.417 -2.506 112 1HA GLY 16 1HA GLY 16 -0.668 7.550 -2.229 113 2HA GLY 16 2HA GLY 16 -1.155 6.089 -1.396 114 H THR 17 H THR 17 1.747 8.228 -1.843 115 HA THR 17 HA THR 17 3.543 8.448 -0.456 116 HB THR 17 HB THR 17 1.267 9.266 1.418 117 HG1 THR 17 1HG THR 17 2.466 10.413 -1.003 118 1HG2 THR 17 1HG2 THR 17 2.891 10.471 2.480 119 2HG2 THR 17 2HG2 THR 17 4.110 9.684 1.448 120 3HG2 THR 17 3HG2 THR 17 3.366 11.219 0.936 121 H THR 18 H THR 18 2.761 8.369 2.638 122 HA THR 18 HA THR 18 2.885 5.471 2.970 123 HB THR 18 HB THR 18 5.036 7.498 3.688 124 HG1 THR 18 1HG THR 18 5.306 6.175 1.798 125 1HG2 THR 18 1HG2 THR 18 4.088 5.288 5.372 126 2HG2 THR 18 2HG2 THR 18 5.733 4.971 4.773 127 3HG2 THR 18 3HG2 THR 18 5.392 6.455 5.694 128 H CYS 19 H CYS 19 2.019 4.711 4.891 129 HA CYS 19 HA CYS 19 0.441 4.805 6.449 130 1HB CYS 19 1HB CYS 19 2.302 6.910 7.559 131 2HB CYS 19 2HB CYS 19 1.102 5.998 8.480 132 H TRP 20 H TRP 20 -1.018 5.817 4.688 133 HA TRP 20 HA TRP 20 -1.842 8.489 5.597 134 1HB TRP 20 1HB TRP 20 -0.656 8.146 3.247 135 2HB TRP 20 2HB TRP 20 -2.291 7.683 2.766 136 HD1 TRP 20 HD TRP 20 -4.182 9.675 2.892 137 HE1 TRP 20 1HE TRP 20 -4.069 12.312 2.845 138 HE3 TRP 20 3HE TRP 20 0.767 10.005 4.008 139 HZ2 TRP 20 2HZ TRP 20 -1.968 14.196 3.271 140 HZ3 TRP 20 3HZ TRP 20 1.771 12.280 4.175 141 HH2 TRP 20 HH TRP 20 0.488 14.331 3.827 142 H LYS 21 H LYS 21 -3.088 5.994 3.268 143 HA LYS 21 HA LYS 21 -4.816 4.561 3.553 144 1HB LYS 21 1HB LYS 21 -4.495 4.867 6.066 145 2HB LYS 21 2HB LYS 21 -5.780 6.086 5.976 146 1HG LYS 21 1HG LYS 21 -7.284 4.415 6.099 147 2HG LYS 21 2HG LYS 21 -6.732 3.841 4.515 148 1HD LYS 21 1HD LYS 21 -5.512 2.130 5.422 149 2HD LYS 21 2HD LYS 21 -5.009 3.081 6.832 150 1HE LYS 21 1HE LYS 21 -7.687 2.841 7.320 151 2HE LYS 21 2HE LYS 21 -7.400 1.327 6.447 152 1HZ LYS 21 1HZ LYS 21 -6.256 2.217 9.006 153 2HZ LYS 21 2HZ LYS 21 -6.880 0.762 8.621 154 3HZ LYS 21 3HZ LYS 21 -5.405 1.195 8.037 155 H THR 22 H THR 22 -6.496 4.716 2.149 156 HA THR 22 HA THR 22 -7.399 7.408 1.496 157 HB THR 22 HB THR 22 -8.371 6.161 -0.494 158 HG1 THR 22 1HG THR 22 -8.360 4.162 1.087 159 1HG2 THR 22 1HG2 THR 22 -6.084 6.944 -0.834 160 2HG2 THR 22 2HG2 THR 22 -5.435 5.652 0.205 161 3HG2 THR 22 3HG2 THR 22 -6.140 5.250 -1.379 162 H SER 23 H SER 23 -8.245 5.094 3.730 163 HA SER 23 HA SER 23 -9.997 5.256 5.100 164 1HB SER 23 1HB SER 23 -10.629 7.445 3.897 165 2HB SER 23 2HB SER 23 -11.725 6.461 2.909 166 HG SER 23 HG SER 23 -13.073 6.920 4.536 167 H LEU 24 H LEU 24 -10.191 4.261 1.697 168 HA LEU 24 HA LEU 24 -12.056 2.131 2.471 169 1HB LEU 24 1HB LEU 24 -12.908 3.603 0.769 170 2HB LEU 24 2HB LEU 24 -11.465 3.347 -0.231 171 HG LEU 24 HG LEU 24 -13.019 0.928 0.528 172 1HD1 LEU 24 1HD1 LEU 24 -14.478 1.522 -1.604 173 2HD1 LEU 24 2HD1 LEU 24 -14.967 2.009 0.036 174 3HD1 LEU 24 3HD1 LEU 24 -14.180 3.185 -1.044 175 1HD2 LEU 24 1HD2 LEU 24 -11.473 1.918 -1.856 176 2HD2 LEU 24 2HD2 LEU 24 -11.212 0.469 -0.857 177 3HD2 LEU 24 3HD2 LEU 24 -12.580 0.533 -1.993 178 H THR 25 H THR 25 -9.337 2.697 0.118 179 HA THR 25 HA THR 25 -8.632 -0.075 0.198 180 HB THR 25 HB THR 25 -7.814 2.446 -1.212 181 HG1 THR 25 1HG THR 25 -8.458 1.051 -2.844 182 1HG2 THR 25 1HG2 THR 25 -5.982 0.039 -0.774 183 2HG2 THR 25 2HG2 THR 25 -5.867 1.067 -2.223 184 3HG2 THR 25 3HG2 THR 25 -5.569 1.763 -0.611 185 H SER 26 H SER 26 -6.459 2.739 0.850 186 HA SER 26 HA SER 26 -5.676 2.963 3.103 187 1HB SER 26 1HB SER 26 -5.299 -0.037 2.803 188 2HB SER 26 2HB SER 26 -4.538 0.902 4.100 189 HG SER 26 HG SER 26 -6.410 0.264 5.047 190 H HIS 27 H HIS 27 -4.463 4.236 1.419 191 HA HIS 27 HA HIS 27 -2.520 3.280 -0.203 192 1HB HIS 27 1HB HIS 27 -2.842 5.858 1.301 193 2HB HIS 27 2HB HIS 27 -1.409 5.587 0.304 194 HD1 HIS 27 1HD HIS 27 -3.294 7.843 -0.488 195 HD2 HIS 27 2HD HIS 27 -3.706 3.914 -1.898 196 HE1 HIS 27 1HE HIS 27 -4.620 7.999 -2.662 197 HE2 HIS 27 2HE HIS 27 -4.850 5.552 -3.489 198 H TYR 28 H TYR 28 -1.698 4.835 2.976 199 HA TYR 28 HA TYR 28 0.255 4.594 4.112 200 1HB TYR 28 1HB TYR 28 -1.571 2.216 4.137 201 2HB TYR 28 2HB TYR 28 0.035 1.875 4.790 202 HD1 TYR 28 1HD TYR 28 0.202 2.026 7.090 203 HD2 TYR 28 2HD TYR 28 -2.527 4.619 5.059 204 HE1 TYR 28 1HE TYR 28 -0.512 3.029 9.315 205 HE2 TYR 28 2HE TYR 28 -3.231 5.613 7.290 206 HH TYR 28 HH TYR 28 -1.524 4.834 10.231 207 H CYS 29 H CYS 29 1.107 4.551 1.509 208 HA CYS 29 HA CYS 29 3.521 3.533 1.504 209 1HB CYS 29 1HB CYS 29 1.664 1.290 1.313 210 2HB CYS 29 2HB CYS 29 2.840 1.320 -0.004 211 H THR 30 H THR 30 4.074 2.641 -1.038 212 HA THR 30 HA THR 30 2.329 3.934 -2.942 213 HB THR 30 HB THR 30 3.493 5.924 -2.370 214 HG1 THR 30 1HG THR 30 3.788 5.022 -4.663 215 1HG2 THR 30 1HG2 THR 30 5.218 4.716 -0.876 216 2HG2 THR 30 2HG2 THR 30 6.128 4.373 -2.367 217 3HG2 THR 30 3HG2 THR 30 5.862 6.057 -1.853 218 H GLY 31 H GLY 31 5.405 2.241 -2.185 219 1HA GLY 31 1HA GLY 31 5.273 0.037 -3.538 220 2HA GLY 31 2HA GLY 31 5.408 1.126 -4.904 221 H LYS 32 H LYS 32 7.175 -0.844 -2.874 222 HA LYS 32 HA LYS 32 9.285 -0.871 -2.114 223 1HB LYS 32 1HB LYS 32 10.924 -0.532 -4.009 224 2HB LYS 32 2HB LYS 32 9.620 -1.698 -4.297 225 1HG LYS 32 1HG LYS 32 9.390 1.210 -5.129 226 2HG LYS 32 2HG LYS 32 10.162 0.011 -6.182 227 1HD LYS 32 1HD LYS 32 7.622 -0.985 -5.159 228 2HD LYS 32 2HD LYS 32 7.392 0.581 -5.956 229 1HE LYS 32 1HE LYS 32 8.092 -0.229 -8.027 230 2HE LYS 32 2HE LYS 32 9.098 -1.503 -7.320 231 1HZ LYS 32 1HZ LYS 32 7.137 -2.498 -8.252 232 2HZ LYS 32 2HZ LYS 32 6.968 -2.592 -6.636 233 3HZ LYS 32 3HZ LYS 32 6.166 -1.425 -7.473 234 H SER 33 H SER 33 8.830 0.903 -0.543 235 HA SER 33 HA SER 33 10.782 2.555 -0.143 236 1HB SER 33 1HB SER 33 9.135 3.670 -2.362 237 2HB SER 33 2HB SER 33 9.619 4.824 -1.106 238 HG SER 33 HG SER 33 11.829 4.245 -1.490 239 H CYS 34 H CYS 34 8.589 1.173 1.132 240 HA CYS 34 HA CYS 34 7.696 3.322 2.835 241 1HB CYS 34 1HB CYS 34 5.412 2.973 2.682 242 2HB CYS 34 2HB CYS 34 5.958 3.020 1.002 243 H ASP 35 H ASP 35 5.734 1.511 4.164 244 HA ASP 35 HA ASP 35 6.663 -0.972 4.683 245 1HB ASP 35 1HB ASP 35 8.570 0.798 5.610 246 2HB ASP 35 2HB ASP 35 7.588 0.556 7.064 247 HD2 ASP 35 HD ASP 35 9.829 -2.002 7.597 248 H CYS 36 H CYS 36 4.218 0.553 4.518 249 HA CYS 36 HA CYS 36 3.232 0.233 7.258 250 1HB CYS 36 1HB CYS 36 3.278 2.605 5.692 251 2HB CYS 36 2HB CYS 36 1.594 2.090 5.836 252 HA PRO 37 HA PRO 37 0.287 -2.324 5.320 253 1HB PRO 37 1HB PRO 37 -1.814 -2.198 7.060 254 2HB PRO 37 2HB PRO 37 -0.399 -3.211 7.330 255 1HG PRO 37 1HG PRO 37 -1.147 -0.634 8.554 256 2HG PRO 37 2HG PRO 37 0.009 -1.872 9.163 257 1HD PRO 37 1HD PRO 37 0.583 0.647 7.928 258 2HD PRO 37 2HD PRO 37 1.753 -0.606 8.364 259 H LEU 38 H LEU 38 -1.128 -2.336 3.653 260 HA LEU 38 HA LEU 38 -2.735 0.117 3.482 261 1HB LEU 38 1HB LEU 38 -2.423 -0.210 0.962 262 2HB LEU 38 2HB LEU 38 -1.126 0.544 1.905 263 HG LEU 38 HG LEU 38 -0.469 -2.152 1.917 264 1HD1 LEU 38 1HD1 LEU 38 -0.511 -2.258 -0.821 265 2HD1 LEU 38 2HD1 LEU 38 -1.622 -3.124 0.265 266 3HD1 LEU 38 3HD1 LEU 38 -2.107 -1.567 -0.447 267 1HD2 LEU 38 1HD2 LEU 38 1.156 -0.418 1.722 268 2HD2 LEU 38 2HD2 LEU 38 1.299 -1.452 0.281 269 3HD2 LEU 38 3HD2 LEU 38 0.483 0.126 0.167 270 H TYR 39 H TYR 39 -4.219 -1.442 4.712 271 HA TYR 39 HA TYR 39 -6.053 -2.525 2.818 272 1HB TYR 39 1HB TYR 39 -4.247 -4.316 3.108 273 2HB TYR 39 2HB TYR 39 -4.575 -4.316 4.845 274 HD1 TYR 39 1HD TYR 39 -6.001 -5.123 1.511 275 HD2 TYR 39 2HD TYR 39 -6.402 -5.560 5.747 276 HE1 TYR 39 1HE TYR 39 -7.792 -6.895 1.166 277 HE2 TYR 39 2HE TYR 39 -8.191 -7.330 5.387 278 HH TYR 39 HH TYR 39 -9.842 -7.878 3.578 279 HA PRO 40 HA PRO 40 -8.613 -1.580 6.180 280 1HB PRO 40 1HB PRO 40 -10.938 -2.770 5.378 281 2HB PRO 40 2HB PRO 40 -10.409 -1.194 4.791 282 1HG PRO 40 1HG PRO 40 -10.337 -3.831 3.469 283 2HG PRO 40 2HG PRO 40 -10.257 -2.196 2.720 284 1HD PRO 40 1HD PRO 40 -8.133 -4.071 3.134 285 2HD PRO 40 2HD PRO 40 -7.975 -2.414 2.538 286 H GLY 41 H GLY 41 -7.811 -2.446 8.032 287 1HA GLY 41 1HA GLY 41 -8.778 -5.196 8.543 288 2HA GLY 41 2HA GLY 41 -7.193 -4.626 9.026 Start of MODEL 17 1 H CYS 1 H CYS 1 -3.770 -3.368 2.076 2 HA CYS 1 HA CYS 1 -2.050 -5.387 1.124 3 1HB CYS 1 1HB CYS 1 -0.888 -3.496 1.030 4 2HB CYS 1 2HB CYS 1 -1.810 -2.727 2.325 5 H THR 2 H THR 2 -0.286 -6.337 2.698 6 HA THR 2 HA THR 2 -0.307 -6.636 5.303 7 HB THR 2 HB THR 2 -2.635 -7.007 5.618 8 HG1 THR 2 1HG THR 2 -1.623 -8.741 6.675 9 1HG2 THR 2 1HG2 THR 2 -2.504 -8.086 2.915 10 2HG2 THR 2 2HG2 THR 2 -3.247 -9.289 3.996 11 3HG2 THR 2 3HG2 THR 2 -3.948 -7.657 3.864 12 H THR 3 H THR 3 0.107 -7.818 2.154 13 HA THR 3 HA THR 3 1.056 -10.407 2.666 14 HB THR 3 HB THR 3 1.963 -10.187 0.392 15 HG1 THR 3 1HG THR 3 2.353 -8.063 -0.391 16 1HG2 THR 3 1HG2 THR 3 -0.345 -8.230 0.288 17 2HG2 THR 3 2HG2 THR 3 0.018 -9.595 -0.798 18 3HG2 THR 3 3HG2 THR 3 -0.667 -9.900 0.816 19 H GLY 4 H GLY 4 3.505 -8.373 1.240 20 1HA GLY 4 1HA GLY 4 5.314 -9.142 3.407 21 2HA GLY 4 2HA GLY 4 5.749 -8.575 1.807 22 HA PRO 5 HA PRO 5 6.318 -4.950 4.367 23 1HB PRO 5 1HB PRO 5 8.551 -4.028 3.092 24 2HB PRO 5 2HB PRO 5 8.613 -5.099 4.491 25 1HG PRO 5 1HG PRO 5 9.028 -5.685 1.628 26 2HG PRO 5 2HG PRO 5 9.556 -6.644 3.060 27 1HD PRO 5 1HD PRO 5 7.389 -7.173 1.263 28 2HD PRO 5 2HD PRO 5 7.768 -8.056 2.748 29 H CYS 6 H CYS 6 4.255 -5.044 2.631 30 HA CYS 6 HA CYS 6 3.477 -3.970 0.721 31 1HB CYS 6 1HB CYS 6 2.082 -2.491 1.640 32 2HB CYS 6 2HB CYS 6 2.764 -3.103 3.151 33 H CYS 7 H CYS 7 4.767 -3.481 -1.045 34 HA CYS 7 HA CYS 7 5.567 -1.097 -1.758 35 1HB CYS 7 1HB CYS 7 7.272 -1.872 0.435 36 2HB CYS 7 2HB CYS 7 8.228 -1.627 -1.029 37 H ARG 8 H ARG 8 4.733 -3.505 -2.894 38 HA ARG 8 HA ARG 8 5.858 -3.813 -5.138 39 1HB ARG 8 1HB ARG 8 8.132 -4.000 -4.473 40 2HB ARG 8 2HB ARG 8 7.758 -5.132 -3.160 41 1HG ARG 8 1HG ARG 8 8.823 -6.291 -5.055 42 2HG ARG 8 2HG ARG 8 7.161 -6.867 -4.839 43 1HD ARG 8 1HD ARG 8 6.477 -6.006 -6.845 44 2HD ARG 8 2HD ARG 8 7.458 -4.542 -6.678 45 HE ARG 8 HE ARG 8 8.972 -7.022 -7.169 46 1HH1 ARG 8 2HH2 ARG 8 7.426 -4.188 -8.629 47 2HH1 ARG 8 1HH2 ARG 8 8.345 -4.287 -10.093 48 1HH2 ARG 8 2HH1 ARG 8 10.164 -7.147 -9.073 49 2HH2 ARG 8 1HH1 ARG 8 9.913 -5.979 -10.353 50 H GLN 9 H GLN 9 4.399 -5.140 -2.372 51 HA GLN 9 HA GLN 9 3.233 -7.219 -3.992 52 1HB GLN 9 1HB GLN 9 4.864 -7.688 -1.508 53 2HB GLN 9 2HB GLN 9 3.471 -8.738 -1.818 54 1HG GLN 9 1HG GLN 9 4.818 -8.554 -4.289 55 2HG GLN 9 2HG GLN 9 6.110 -8.710 -3.089 56 1HE2 GLN 9 1HE2 GLN 9 3.620 -10.232 -4.839 57 2HE2 GLN 9 2HE2 GLN 9 3.707 -11.818 -4.144 58 H CYS 10 H CYS 10 3.339 -6.240 -0.482 59 HA CYS 10 HA CYS 10 0.618 -6.601 -0.094 60 1HB CYS 10 1HB CYS 10 1.631 -6.543 1.899 61 2HB CYS 10 2HB CYS 10 2.861 -5.386 1.382 62 H LYS 11 H LYS 11 2.615 -3.767 -1.086 63 HA LYS 11 HA LYS 11 0.291 -2.059 -1.164 64 1HB LYS 11 1HB LYS 11 2.483 -1.245 -0.391 65 2HB LYS 11 2HB LYS 11 3.158 -1.530 -2.006 66 1HG LYS 11 1HG LYS 11 0.693 -0.013 -2.213 67 2HG LYS 11 2HG LYS 11 1.781 0.784 -1.062 68 1HD LYS 11 1HD LYS 11 3.569 0.828 -2.728 69 2HD LYS 11 2HD LYS 11 2.591 -0.114 -3.865 70 1HE LYS 11 1HE LYS 11 2.547 2.770 -3.254 71 2HE LYS 11 2HE LYS 11 1.967 1.922 -4.696 72 1HZ LYS 11 1HZ LYS 11 0.519 2.294 -2.136 73 2HZ LYS 11 2HZ LYS 11 0.080 2.848 -3.603 74 3HZ LYS 11 3HZ LYS 11 0.057 1.231 -3.303 75 H LEU 12 H LEU 12 -0.524 -4.035 -2.679 76 HA LEU 12 HA LEU 12 0.397 -3.927 -5.359 77 1HB LEU 12 1HB LEU 12 -1.120 -5.566 -5.785 78 2HB LEU 12 2HB LEU 12 -0.788 -5.816 -4.061 79 HG LEU 12 HG LEU 12 -2.991 -4.072 -4.174 80 1HD1 LEU 12 1HD1 LEU 12 -3.794 -6.416 -5.834 81 2HD1 LEU 12 2HD1 LEU 12 -4.486 -4.778 -5.739 82 3HD1 LEU 12 3HD1 LEU 12 -2.978 -5.056 -6.643 83 1HD2 LEU 12 1HD2 LEU 12 -2.576 -6.963 -3.466 84 2HD2 LEU 12 2HD2 LEU 12 -2.891 -5.567 -2.408 85 3HD2 LEU 12 3HD2 LEU 12 -4.201 -6.239 -3.408 86 H LYS 13 H LYS 13 -1.283 -1.696 -3.473 87 HA LYS 13 HA LYS 13 -3.040 -0.809 -5.593 88 1HB LYS 13 1HB LYS 13 -3.863 0.767 -3.998 89 2HB LYS 13 2HB LYS 13 -3.742 -0.814 -3.206 90 1HG LYS 13 1HG LYS 13 -1.364 1.000 -3.035 91 2HG LYS 13 2HG LYS 13 -2.791 1.463 -2.089 92 1HD LYS 13 1HD LYS 13 -0.937 -0.857 -1.778 93 2HD LYS 13 2HD LYS 13 -1.780 0.082 -0.535 94 1HE LYS 13 1HE LYS 13 -2.970 -2.063 -2.343 95 2HE LYS 13 2HE LYS 13 -2.690 -2.198 -0.601 96 1HZ LYS 13 1HZ LYS 13 -4.316 0.062 -1.385 97 2HZ LYS 13 2HZ LYS 13 -5.005 -1.378 -1.706 98 3HZ LYS 13 3HZ LYS 13 -4.507 -1.037 -0.178 99 HA PRO 14 HA PRO 14 -0.416 2.257 -7.127 100 1HB PRO 14 1HB PRO 14 -2.063 4.383 -7.614 101 2HB PRO 14 2HB PRO 14 -1.961 2.979 -8.674 102 1HG PRO 14 1HG PRO 14 -4.030 3.722 -6.706 103 2HG PRO 14 2HG PRO 14 -4.159 2.585 -8.097 104 1HD PRO 14 1HD PRO 14 -3.928 1.972 -5.310 105 2HD PRO 14 2HD PRO 14 -3.891 0.819 -6.650 106 H ALA 15 H ALA 15 1.215 3.459 -6.371 107 HA ALA 15 HA ALA 15 1.403 4.198 -3.809 108 1HB ALA 15 1HB ALA 15 3.269 5.444 -4.459 109 2HB ALA 15 2HB ALA 15 3.048 4.363 -5.856 110 3HB ALA 15 3HB ALA 15 2.480 6.047 -5.936 111 H GLY 16 H GLY 16 -0.221 5.151 -2.641 112 1HA GLY 16 1HA GLY 16 -1.558 7.501 -3.794 113 2HA GLY 16 2HA GLY 16 -2.114 6.527 -2.448 114 H THR 17 H THR 17 -0.299 6.417 -0.551 115 HA THR 17 HA THR 17 1.240 8.802 -0.243 116 HB THR 17 HB THR 17 -1.310 8.475 1.425 117 HG1 THR 17 1HG THR 17 -1.791 10.473 0.139 118 1HG2 THR 17 1HG2 THR 17 0.649 10.817 1.206 119 2HG2 THR 17 2HG2 THR 17 -0.757 10.697 2.291 120 3HG2 THR 17 3HG2 THR 17 0.662 9.655 2.554 121 H THR 18 H THR 18 2.458 8.819 1.789 122 HA THR 18 HA THR 18 3.075 6.095 2.540 123 HB THR 18 HB THR 18 4.293 8.849 2.818 124 HG1 THR 18 1HG THR 18 5.696 7.739 1.487 125 1HG2 THR 18 1HG2 THR 18 5.340 6.396 4.307 126 2HG2 THR 18 2HG2 THR 18 5.973 8.057 4.368 127 3HG2 THR 18 3HG2 THR 18 4.409 7.673 5.124 128 H CYS 19 H CYS 19 1.919 5.054 4.033 129 HA CYS 19 HA CYS 19 0.615 4.704 5.775 130 1HB CYS 19 1HB CYS 19 2.271 6.714 7.275 131 2HB CYS 19 2HB CYS 19 1.508 5.244 7.883 132 H TRP 20 H TRP 20 -0.933 6.108 4.250 133 HA TRP 20 HA TRP 20 -1.831 8.421 5.833 134 1HB TRP 20 1HB TRP 20 -0.889 8.620 3.359 135 2HB TRP 20 2HB TRP 20 -2.545 8.162 2.954 136 HD1 TRP 20 HD TRP 20 -3.889 10.334 2.445 137 HE1 TRP 20 1HE TRP 20 -4.109 12.797 3.371 138 HE3 TRP 20 3HE TRP 20 -0.303 9.873 6.021 139 HZ2 TRP 20 2HZ TRP 20 -2.791 14.242 5.446 140 HZ3 TRP 20 3HZ TRP 20 0.169 11.858 7.455 141 HH2 TRP 20 HH TRP 20 -1.007 13.987 7.212 142 H LYS 21 H LYS 21 -2.945 5.929 3.418 143 HA LYS 21 HA LYS 21 -4.658 4.519 3.485 144 1HB LYS 21 1HB LYS 21 -4.775 3.635 5.509 145 2HB LYS 21 2HB LYS 21 -4.321 5.155 6.298 146 1HG LYS 21 1HG LYS 21 -6.522 4.551 7.077 147 2HG LYS 21 2HG LYS 21 -6.724 5.928 5.980 148 1HD LYS 21 1HD LYS 21 -7.642 4.595 4.281 149 2HD LYS 21 2HD LYS 21 -6.917 3.104 4.904 150 1HE LYS 21 1HE LYS 21 -9.461 3.434 5.231 151 2HE LYS 21 2HE LYS 21 -8.530 2.927 6.651 152 1HZ LYS 21 1HZ LYS 21 -9.018 5.792 6.125 153 2HZ LYS 21 2HZ LYS 21 -10.152 4.900 6.881 154 3HZ LYS 21 3HZ LYS 21 -8.646 5.025 7.531 155 H THR 22 H THR 22 -6.325 4.953 2.152 156 HA THR 22 HA THR 22 -7.459 7.578 2.109 157 HB THR 22 HB THR 22 -8.631 6.683 0.141 158 HG1 THR 22 1HG THR 22 -8.419 4.455 1.745 159 1HG2 THR 22 1HG2 THR 22 -5.766 5.816 0.562 160 2HG2 THR 22 2HG2 THR 22 -6.639 5.157 -0.841 161 3HG2 THR 22 3HG2 THR 22 -6.437 6.916 -0.664 162 H SER 23 H SER 23 -10.092 5.868 1.333 163 HA SER 23 HA SER 23 -11.018 5.626 4.072 164 1HB SER 23 1HB SER 23 -11.650 7.809 2.416 165 2HB SER 23 2HB SER 23 -13.085 6.770 2.345 166 HG SER 23 HG SER 23 -13.590 7.565 4.259 167 H LEU 24 H LEU 24 -10.254 3.827 1.693 168 HA LEU 24 HA LEU 24 -12.401 2.010 1.996 169 1HB LEU 24 1HB LEU 24 -13.378 1.987 -0.081 170 2HB LEU 24 2HB LEU 24 -13.274 3.712 0.313 171 HG LEU 24 HG LEU 24 -11.032 2.567 -1.264 172 1HD1 LEU 24 1HD1 LEU 24 -13.823 2.296 -2.114 173 2HD1 LEU 24 2HD1 LEU 24 -12.805 3.185 -3.274 174 3HD1 LEU 24 3HD1 LEU 24 -12.342 1.546 -2.757 175 1HD2 LEU 24 1HD2 LEU 24 -10.903 4.876 -0.822 176 2HD2 LEU 24 2HD2 LEU 24 -11.428 4.746 -2.519 177 3HD2 LEU 24 3HD2 LEU 24 -12.611 5.140 -1.248 178 H THR 25 H THR 25 -9.497 3.107 0.185 179 HA THR 25 HA THR 25 -8.729 0.324 -0.241 180 HB THR 25 HB THR 25 -8.121 3.008 -1.410 181 HG1 THR 25 1HG THR 25 -9.342 1.142 -2.353 182 1HG2 THR 25 1HG2 THR 25 -6.010 0.910 -0.867 183 2HG2 THR 25 2HG2 THR 25 -6.030 1.693 -2.466 184 3HG2 THR 25 3HG2 THR 25 -5.830 2.676 -0.995 185 H SER 26 H SER 26 -7.100 3.319 1.015 186 HA SER 26 HA SER 26 -6.138 3.465 3.056 187 1HB SER 26 1HB SER 26 -5.602 0.476 3.019 188 2HB SER 26 2HB SER 26 -5.476 1.573 4.406 189 HG SER 26 HG SER 26 -7.485 0.938 4.800 190 H HIS 27 H HIS 27 -4.732 4.577 1.429 191 HA HIS 27 HA HIS 27 -2.531 3.030 0.405 192 1HB HIS 27 1HB HIS 27 -1.851 5.253 -0.555 193 2HB HIS 27 2HB HIS 27 -3.409 4.620 -1.099 194 HD1 HIS 27 1HD HIS 27 -3.891 5.929 2.232 195 HD2 HIS 27 2HD HIS 27 -3.619 7.598 -1.607 196 HE1 HIS 27 1HE HIS 27 -4.928 8.255 2.389 197 HE2 HIS 27 2HE HIS 27 -4.738 9.240 -0.004 198 H TYR 28 H TYR 28 -1.339 2.336 2.216 199 HA TYR 28 HA TYR 28 -0.151 4.528 3.782 200 1HB TYR 28 1HB TYR 28 -1.623 2.122 4.435 201 2HB TYR 28 2HB TYR 28 0.049 1.832 4.925 202 HD1 TYR 28 1HD TYR 28 -2.404 4.680 5.114 203 HD2 TYR 28 2HD TYR 28 0.475 2.261 7.155 204 HE1 TYR 28 1HE TYR 28 -2.813 5.987 7.256 205 HE2 TYR 28 2HE TYR 28 0.056 3.577 9.290 206 HH TYR 28 HH TYR 28 -0.828 6.113 9.697 207 H CYS 29 H CYS 29 1.056 4.070 1.374 208 HA CYS 29 HA CYS 29 3.615 3.257 2.175 209 1HB CYS 29 1HB CYS 29 1.983 1.120 1.366 210 2HB CYS 29 2HB CYS 29 3.068 1.438 0.009 211 H THR 30 H THR 30 4.337 2.443 -0.652 212 HA THR 30 HA THR 30 3.377 4.519 -2.366 213 HB THR 30 HB THR 30 5.043 5.641 -0.702 214 HG1 THR 30 1HG THR 30 5.656 5.487 -3.569 215 1HG2 THR 30 1HG2 THR 30 7.405 5.364 -1.200 216 2HG2 THR 30 2HG2 THR 30 6.767 3.730 -0.896 217 3HG2 THR 30 3HG2 THR 30 7.049 4.280 -2.566 218 H GLY 31 H GLY 31 5.761 1.959 -1.602 219 1HA GLY 31 1HA GLY 31 5.568 0.103 -3.261 220 2HA GLY 31 2HA GLY 31 5.835 1.322 -4.491 221 H LYS 32 H LYS 32 7.348 -1.039 -2.650 222 HA LYS 32 HA LYS 32 9.465 -1.625 -2.410 223 1HB LYS 32 1HB LYS 32 9.490 -0.032 -4.705 224 2HB LYS 32 2HB LYS 32 10.856 0.546 -3.737 225 1HG LYS 32 1HG LYS 32 10.364 -2.139 -4.978 226 2HG LYS 32 2HG LYS 32 11.875 -1.220 -4.857 227 1HD LYS 32 1HD LYS 32 11.472 -1.702 -2.235 228 2HD LYS 32 2HD LYS 32 10.595 -3.096 -2.889 229 1HE LYS 32 1HE LYS 32 13.369 -2.418 -3.891 230 2HE LYS 32 2HE LYS 32 13.174 -3.301 -2.369 231 1HZ LYS 32 1HZ LYS 32 11.543 -4.654 -4.031 232 2HZ LYS 32 2HZ LYS 32 12.707 -4.206 -5.079 233 3HZ LYS 32 3HZ LYS 32 13.111 -5.037 -3.719 234 H SER 33 H SER 33 9.367 2.012 -2.308 235 HA SER 33 HA SER 33 10.976 1.880 0.075 236 1HB SER 33 1HB SER 33 10.683 4.483 -0.176 237 2HB SER 33 2HB SER 33 11.742 3.612 -1.298 238 HG SER 33 HG SER 33 10.488 4.814 -2.651 239 H CYS 34 H CYS 34 9.212 0.788 1.341 240 HA CYS 34 HA CYS 34 7.913 2.549 3.000 241 1HB CYS 34 1HB CYS 34 5.666 2.570 2.409 242 2HB CYS 34 2HB CYS 34 6.530 2.965 0.921 243 H ASP 35 H ASP 35 6.086 1.178 4.293 244 HA ASP 35 HA ASP 35 6.210 -1.594 4.058 245 1HB ASP 35 1HB ASP 35 7.433 -2.086 6.177 246 2HB ASP 35 2HB ASP 35 8.485 -1.367 4.947 247 HD2 ASP 35 HD ASP 35 9.868 -0.688 6.506 248 H CYS 36 H CYS 36 4.299 0.620 4.390 249 HA CYS 36 HA CYS 36 3.359 0.207 7.122 250 1HB CYS 36 1HB CYS 36 3.381 2.459 5.313 251 2HB CYS 36 2HB CYS 36 1.743 2.123 5.878 252 HA PRO 37 HA PRO 37 0.072 -2.171 5.534 253 1HB PRO 37 1HB PRO 37 -1.856 -1.806 7.434 254 2HB PRO 37 2HB PRO 37 -0.509 -2.928 7.630 255 1HG PRO 37 1HG PRO 37 -0.938 -0.255 8.804 256 2HG PRO 37 2HG PRO 37 0.161 -1.565 9.366 257 1HD PRO 37 1HD PRO 37 0.832 0.852 7.985 258 2HD PRO 37 2HD PRO 37 1.929 -0.480 8.374 259 H LEU 38 H LEU 38 -1.124 -1.928 3.764 260 HA LEU 38 HA LEU 38 -2.447 0.665 3.552 261 1HB LEU 38 1HB LEU 38 -2.005 -1.420 1.426 262 2HB LEU 38 2HB LEU 38 -2.522 0.259 1.199 263 HG LEU 38 HG LEU 38 -0.051 0.367 2.558 264 1HD1 LEU 38 1HD1 LEU 38 1.316 -0.841 0.682 265 2HD1 LEU 38 2HD1 LEU 38 0.704 -1.756 2.082 266 3HD1 LEU 38 3HD1 LEU 38 -0.152 -1.835 0.524 267 1HD2 LEU 38 1HD2 LEU 38 -1.296 1.627 0.471 268 2HD2 LEU 38 2HD2 LEU 38 0.386 1.901 0.986 269 3HD2 LEU 38 3HD2 LEU 38 0.036 0.781 -0.351 270 H TYR 39 H TYR 39 -3.714 -0.768 5.446 271 HA TYR 39 HA TYR 39 -6.300 -0.861 4.709 272 1HB TYR 39 1HB TYR 39 -4.730 -3.061 3.607 273 2HB TYR 39 2HB TYR 39 -5.843 -3.738 4.800 274 HD1 TYR 39 1HD TYR 39 -8.348 -2.669 4.553 275 HD2 TYR 39 2HD TYR 39 -5.454 -3.046 1.423 276 HE1 TYR 39 1HE TYR 39 -10.205 -2.611 2.819 277 HE2 TYR 39 2HE TYR 39 -7.323 -2.986 -0.301 278 HH TYR 39 HH TYR 39 -10.700 -3.003 0.700 279 HA PRO 40 HA PRO 40 -5.605 -3.439 8.607 280 1HB PRO 40 1HB PRO 40 -3.116 -4.390 9.215 281 2HB PRO 40 2HB PRO 40 -4.338 -5.349 8.383 282 1HG PRO 40 1HG PRO 40 -1.942 -3.997 7.319 283 2HG PRO 40 2HG PRO 40 -2.890 -5.341 6.588 284 1HD PRO 40 1HD PRO 40 -2.877 -2.570 5.864 285 2HD PRO 40 2HD PRO 40 -3.947 -3.823 5.221 286 H GLY 41 H GLY 41 -5.161 -2.914 10.830 287 1HA GLY 41 1HA GLY 41 -4.091 -0.200 10.953 288 2HA GLY 41 2HA GLY 41 -5.022 -1.038 12.178 Start of MODEL 18 1 H CYS 1 H CYS 1 -4.262 -3.410 2.254 2 HA CYS 1 HA CYS 1 -2.717 -5.364 0.742 3 1HB CYS 1 1HB CYS 1 -1.357 -3.636 0.544 4 2HB CYS 1 2HB CYS 1 -2.195 -2.711 1.793 5 H THR 2 H THR 2 -1.413 -6.941 1.872 6 HA THR 2 HA THR 2 -1.213 -7.050 4.670 7 HB THR 2 HB THR 2 -3.578 -7.523 4.755 8 HG1 THR 2 1HG THR 2 -3.397 -9.789 5.427 9 1HG2 THR 2 1HG2 THR 2 -3.221 -8.533 2.116 10 2HG2 THR 2 2HG2 THR 2 -3.656 -9.943 3.111 11 3HG2 THR 2 3HG2 THR 2 -4.732 -8.527 3.056 12 H THR 3 H THR 3 0.300 -7.328 2.110 13 HA THR 3 HA THR 3 1.033 -10.142 2.134 14 HB THR 3 HB THR 3 1.969 -7.736 0.483 15 HG1 THR 3 1HG THR 3 0.081 -8.263 -0.539 16 1HG2 THR 3 1HG2 THR 3 2.294 -10.747 0.008 17 2HG2 THR 3 2HG2 THR 3 2.816 -9.449 -1.093 18 3HG2 THR 3 3HG2 THR 3 3.616 -9.653 0.484 19 H GLY 4 H GLY 4 3.452 -7.607 1.671 20 1HA GLY 4 1HA GLY 4 4.709 -8.446 4.214 21 2HA GLY 4 2HA GLY 4 5.604 -8.309 2.713 22 HA PRO 5 HA PRO 5 6.244 -4.204 4.121 23 1HB PRO 5 1HB PRO 5 8.156 -3.519 2.294 24 2HB PRO 5 2HB PRO 5 8.520 -4.345 3.807 25 1HG PRO 5 1HG PRO 5 8.377 -5.401 1.056 26 2HG PRO 5 2HG PRO 5 9.204 -6.111 2.491 27 1HD PRO 5 1HD PRO 5 6.740 -6.917 1.275 28 2HD PRO 5 2HD PRO 5 7.429 -7.545 2.777 29 H CYS 6 H CYS 6 4.359 -5.193 1.828 30 HA CYS 6 HA CYS 6 2.872 -4.194 0.558 31 1HB CYS 6 1HB CYS 6 2.136 -2.053 0.967 32 2HB CYS 6 2HB CYS 6 2.845 -2.535 2.510 33 H CYS 7 H CYS 7 5.877 -2.134 0.657 34 HA CYS 7 HA CYS 7 5.833 -1.258 -1.917 35 1HB CYS 7 1HB CYS 7 7.977 -1.771 0.076 36 2HB CYS 7 2HB CYS 7 8.470 -1.466 -1.591 37 H ARG 8 H ARG 8 4.982 -2.959 -3.291 38 HA ARG 8 HA ARG 8 5.498 -4.320 -4.969 39 1HB ARG 8 1HB ARG 8 7.936 -4.023 -4.692 40 2HB ARG 8 2HB ARG 8 7.948 -5.176 -3.346 41 1HG ARG 8 1HG ARG 8 8.700 -6.209 -5.474 42 2HG ARG 8 2HG ARG 8 7.226 -6.982 -4.867 43 1HD ARG 8 1HD ARG 8 6.096 -6.422 -6.745 44 2HD ARG 8 2HD ARG 8 6.567 -4.722 -6.599 45 HE ARG 8 HE ARG 8 8.866 -5.862 -7.539 46 1HH1 ARG 8 2HH2 ARG 8 5.506 -6.149 -8.626 47 2HH1 ARG 8 1HH2 ARG 8 5.935 -6.437 -10.280 48 1HH2 ARG 8 2HH1 ARG 8 9.419 -6.235 -9.687 49 2HH2 ARG 8 1HH1 ARG 8 8.173 -6.487 -10.891 50 H GLN 9 H GLN 9 4.920 -4.881 -1.691 51 HA GLN 9 HA GLN 9 3.656 -7.371 -2.313 52 1HB GLN 9 1HB GLN 9 6.089 -7.175 -0.596 53 2HB GLN 9 2HB GLN 9 4.784 -8.210 0.009 54 1HG GLN 9 1HG GLN 9 4.812 -9.118 -2.496 55 2HG GLN 9 2HG GLN 9 6.465 -8.488 -2.484 56 1HE2 GLN 9 1HE2 GLN 9 7.916 -9.226 -0.835 57 2HE2 GLN 9 2HE2 GLN 9 7.757 -10.811 -0.155 58 H CYS 10 H CYS 10 1.810 -5.901 -1.965 59 HA CYS 10 HA CYS 10 0.246 -6.115 -0.035 60 1HB CYS 10 1HB CYS 10 2.405 -5.699 1.452 61 2HB CYS 10 2HB CYS 10 1.870 -4.021 1.328 62 H LYS 11 H LYS 11 2.300 -3.222 -0.871 63 HA LYS 11 HA LYS 11 0.039 -1.532 -1.153 64 1HB LYS 11 1HB LYS 11 1.545 0.147 -1.486 65 2HB LYS 11 2HB LYS 11 2.556 -1.008 -0.601 66 1HG LYS 11 1HG LYS 11 4.002 -0.815 -2.329 67 2HG LYS 11 2HG LYS 11 2.864 -1.809 -3.257 68 1HD LYS 11 1HD LYS 11 1.671 0.505 -3.707 69 2HD LYS 11 2HD LYS 11 3.242 1.195 -3.267 70 1HE LYS 11 1HE LYS 11 3.264 0.918 -5.647 71 2HE LYS 11 2HE LYS 11 4.276 -0.385 -5.006 72 1HZ LYS 11 1HZ LYS 11 2.900 -1.591 -6.361 73 2HZ LYS 11 2HZ LYS 11 1.920 -1.600 -5.061 74 3HZ LYS 11 3HZ LYS 11 1.679 -0.495 -6.255 75 H LEU 12 H LEU 12 -0.137 -4.051 -2.663 76 HA LEU 12 HA LEU 12 0.481 -3.842 -5.315 77 1HB LEU 12 1HB LEU 12 -1.131 -5.489 -5.700 78 2HB LEU 12 2HB LEU 12 -0.469 -5.795 -4.085 79 HG LEU 12 HG LEU 12 -2.607 -4.369 -3.369 80 1HD1 LEU 12 1HD1 LEU 12 -3.893 -3.848 -5.120 81 2HD1 LEU 12 2HD1 LEU 12 -3.083 -5.021 -6.186 82 3HD1 LEU 12 3HD1 LEU 12 -4.386 -5.557 -5.099 83 1HD2 LEU 12 1HD2 LEU 12 -1.837 -6.966 -3.151 84 2HD2 LEU 12 2HD2 LEU 12 -3.349 -6.298 -2.488 85 3HD2 LEU 12 3HD2 LEU 12 -3.361 -7.139 -4.056 86 H LYS 13 H LYS 13 -1.663 -1.863 -3.435 87 HA LYS 13 HA LYS 13 -3.341 -1.095 -5.614 88 1HB LYS 13 1HB LYS 13 -4.343 0.397 -4.080 89 2HB LYS 13 2HB LYS 13 -3.989 -1.089 -3.181 90 1HG LYS 13 1HG LYS 13 -2.039 1.231 -3.231 91 2HG LYS 13 2HG LYS 13 -3.392 1.212 -2.087 92 1HD LYS 13 1HD LYS 13 -1.021 -0.656 -2.291 93 2HD LYS 13 2HD LYS 13 -1.614 0.224 -0.870 94 1HE LYS 13 1HE LYS 13 -2.872 -2.193 -2.231 95 2HE LYS 13 2HE LYS 13 -2.186 -2.128 -0.602 96 1HZ LYS 13 1HZ LYS 13 -4.245 -0.175 -0.999 97 2HZ LYS 13 2HZ LYS 13 -4.806 -1.682 -1.254 98 3HZ LYS 13 3HZ LYS 13 -4.064 -1.321 0.167 99 HA PRO 14 HA PRO 14 -1.092 2.276 -7.139 100 1HB PRO 14 1HB PRO 14 -2.759 4.440 -7.138 101 2HB PRO 14 2HB PRO 14 -2.849 3.153 -8.339 102 1HG PRO 14 1HG PRO 14 -4.570 3.690 -6.003 103 2HG PRO 14 2HG PRO 14 -4.934 2.702 -7.464 104 1HD PRO 14 1HD PRO 14 -4.276 1.802 -4.826 105 2HD PRO 14 2HD PRO 14 -4.470 0.795 -6.266 106 H ALA 15 H ALA 15 -0.688 1.777 -4.337 107 HA ALA 15 HA ALA 15 -0.027 2.838 -2.459 108 1HB ALA 15 1HB ALA 15 1.832 4.592 -3.881 109 2HB ALA 15 2HB ALA 15 2.165 3.170 -2.864 110 3HB ALA 15 3HB ALA 15 1.785 2.959 -4.590 111 H GLY 16 H GLY 16 1.197 5.545 -2.323 112 1HA GLY 16 1HA GLY 16 -0.338 7.618 -3.220 113 2HA GLY 16 2HA GLY 16 -1.218 7.014 -1.831 114 H THR 17 H THR 17 0.220 6.576 0.217 115 HA THR 17 HA THR 17 2.263 8.691 0.384 116 HB THR 17 HB THR 17 0.433 7.920 2.685 117 HG1 THR 17 1HG THR 17 0.066 9.794 0.453 118 1HG2 THR 17 1HG2 THR 17 0.865 10.739 2.362 119 2HG2 THR 17 2HG2 THR 17 1.513 9.688 3.647 120 3HG2 THR 17 3HG2 THR 17 2.448 9.950 2.156 121 H THR 18 H THR 18 2.330 7.670 3.363 122 HA THR 18 HA THR 18 3.844 5.211 2.814 123 HB THR 18 HB THR 18 5.130 7.577 3.097 124 HG1 THR 18 1HG THR 18 6.454 5.786 2.964 125 1HG2 THR 18 1HG2 THR 18 5.249 6.508 5.927 126 2HG2 THR 18 2HG2 THR 18 5.683 8.124 5.320 127 3HG2 THR 18 3HG2 THR 18 3.971 7.677 5.514 128 H CYS 19 H CYS 19 1.214 6.533 4.269 129 HA CYS 19 HA CYS 19 0.662 4.383 5.825 130 1HB CYS 19 1HB CYS 19 2.641 5.958 7.110 131 2HB CYS 19 2HB CYS 19 1.135 6.167 8.008 132 H TRP 20 H TRP 20 -0.579 6.196 4.011 133 HA TRP 20 HA TRP 20 -2.522 7.501 5.793 134 1HB TRP 20 1HB TRP 20 -0.890 8.936 4.318 135 2HB TRP 20 2HB TRP 20 -2.021 8.519 3.029 136 HD1 TRP 20 HD TRP 20 -3.364 9.163 6.578 137 HE1 TRP 20 1HE TRP 20 -4.823 11.361 6.669 138 HE3 TRP 20 3HE TRP 20 -2.257 10.719 1.866 139 HZ2 TRP 20 2HZ TRP 20 -5.338 13.456 4.799 140 HZ3 TRP 20 3HZ TRP 20 -3.280 12.851 1.076 141 HH2 TRP 20 HH TRP 20 -4.773 14.204 2.458 142 H LYS 21 H LYS 21 -4.110 5.907 5.817 143 HA LYS 21 HA LYS 21 -4.720 4.495 3.382 144 1HB LYS 21 1HB LYS 21 -6.432 3.392 4.861 145 2HB LYS 21 2HB LYS 21 -4.742 3.185 5.355 146 1HG LYS 21 1HG LYS 21 -5.053 4.341 7.289 147 2HG LYS 21 2HG LYS 21 -6.050 5.582 6.510 148 1HD LYS 21 1HD LYS 21 -7.129 2.792 6.966 149 2HD LYS 21 2HD LYS 21 -7.140 3.974 8.286 150 1HE LYS 21 1HE LYS 21 -9.033 4.849 7.434 151 2HE LYS 21 2HE LYS 21 -8.151 5.313 5.970 152 1HZ LYS 21 1HZ LYS 21 -8.908 2.520 6.097 153 2HZ LYS 21 2HZ LYS 21 -10.175 3.541 6.020 154 3HZ LYS 21 3HZ LYS 21 -9.002 3.610 4.869 155 H THR 22 H THR 22 -6.287 5.003 1.928 156 HA THR 22 HA THR 22 -8.608 5.755 1.738 157 HB THR 22 HB THR 22 -8.484 6.954 3.968 158 HG1 THR 22 1HG THR 22 -10.202 7.499 2.527 159 1HG2 THR 22 1HG2 THR 22 -7.249 8.878 4.275 160 2HG2 THR 22 2HG2 THR 22 -6.273 8.265 2.918 161 3HG2 THR 22 3HG2 THR 22 -7.569 9.448 2.619 162 H SER 23 H SER 23 -8.478 8.769 1.065 163 HA SER 23 HA SER 23 -8.121 9.949 -0.721 164 1HB SER 23 1HB SER 23 -5.505 8.690 -0.174 165 2HB SER 23 2HB SER 23 -5.680 9.264 -1.842 166 HG SER 23 HG SER 23 -5.777 10.738 0.623 167 H LEU 24 H LEU 24 -9.173 7.026 -0.875 168 HA LEU 24 HA LEU 24 -10.340 6.473 -2.904 169 1HB LEU 24 1HB LEU 24 -8.985 7.899 -4.321 170 2HB LEU 24 2HB LEU 24 -7.608 6.794 -4.156 171 HG LEU 24 HG LEU 24 -9.015 5.027 -5.260 172 1HD1 LEU 24 1HD1 LEU 24 -10.940 5.999 -6.666 173 2HD1 LEU 24 2HD1 LEU 24 -11.233 5.674 -4.941 174 3HD1 LEU 24 3HD1 LEU 24 -10.932 7.338 -5.495 175 1HD2 LEU 24 1HD2 LEU 24 -8.536 5.752 -7.460 176 2HD2 LEU 24 2HD2 LEU 24 -8.669 7.469 -7.008 177 3HD2 LEU 24 3HD2 LEU 24 -7.302 6.495 -6.413 178 H THR 25 H THR 25 -7.821 5.506 -0.879 179 HA THR 25 HA THR 25 -8.558 2.999 -0.428 180 HB THR 25 HB THR 25 -7.290 3.201 -3.131 181 HG1 THR 25 1HG THR 25 -8.843 1.221 -1.617 182 1HG2 THR 25 1HG2 THR 25 -6.392 0.869 -2.940 183 2HG2 THR 25 2HG2 THR 25 -5.479 1.995 -1.908 184 3HG2 THR 25 3HG2 THR 25 -6.690 0.909 -1.186 185 H SER 26 H SER 26 -7.080 1.796 0.878 186 HA SER 26 HA SER 26 -5.549 3.219 2.493 187 1HB SER 26 1HB SER 26 -4.648 0.457 1.629 188 2HB SER 26 2HB SER 26 -4.571 1.173 3.249 189 HG SER 26 HG SER 26 -7.068 1.235 2.943 190 H HIS 27 H HIS 27 -4.038 4.750 1.883 191 HA HIS 27 HA HIS 27 -2.084 3.921 -0.129 192 1HB HIS 27 1HB HIS 27 -3.245 6.569 0.665 193 2HB HIS 27 2HB HIS 27 -1.653 6.504 -0.100 194 HD1 HIS 27 1HD HIS 27 -3.784 3.837 -1.404 195 HD2 HIS 27 2HD HIS 27 -3.207 7.913 -2.211 196 HE1 HIS 27 1HE HIS 27 -4.784 4.257 -3.713 197 HE2 HIS 27 2HE HIS 27 -4.403 6.783 -4.165 198 H TYR 28 H TYR 28 -1.876 2.878 2.514 199 HA TYR 28 HA TYR 28 -0.079 4.531 4.012 200 1HB TYR 28 1HB TYR 28 -1.624 2.034 4.153 201 2HB TYR 28 2HB TYR 28 0.021 1.735 4.723 202 HD1 TYR 28 1HD TYR 28 -2.535 4.468 5.123 203 HD2 TYR 28 2HD TYR 28 0.234 1.817 7.023 204 HE1 TYR 28 1HE TYR 28 -3.156 5.433 7.392 205 HE2 TYR 28 2HE TYR 28 -0.396 2.791 9.284 206 HH TYR 28 HH TYR 28 -2.715 5.468 9.511 207 H CYS 29 H CYS 29 0.757 4.007 1.228 208 HA CYS 29 HA CYS 29 3.421 3.308 1.781 209 1HB CYS 29 1HB CYS 29 2.184 1.046 1.709 210 2HB CYS 29 2HB CYS 29 2.105 1.307 -0.036 211 H THR 30 H THR 30 4.576 3.050 -0.577 212 HA THR 30 HA THR 30 3.148 4.823 -2.445 213 HB THR 30 HB THR 30 5.754 5.554 -2.792 214 HG1 THR 30 1HG THR 30 6.860 5.073 -0.914 215 1HG2 THR 30 1HG2 THR 30 4.841 7.528 -2.096 216 2HG2 THR 30 2HG2 THR 30 3.476 6.652 -1.362 217 3HG2 THR 30 3HG2 THR 30 4.953 6.955 -0.414 218 H GLY 31 H GLY 31 5.449 2.160 -1.867 219 1HA GLY 31 1HA GLY 31 5.220 0.296 -3.406 220 2HA GLY 31 2HA GLY 31 5.142 1.448 -4.723 221 H LYS 32 H LYS 32 7.190 -0.570 -2.866 222 HA LYS 32 HA LYS 32 9.340 -1.062 -3.239 223 1HB LYS 32 1HB LYS 32 9.759 1.496 -4.769 224 2HB LYS 32 2HB LYS 32 10.672 -0.019 -4.875 225 1HG LYS 32 1HG LYS 32 7.940 0.663 -5.964 226 2HG LYS 32 2HG LYS 32 9.305 -0.100 -6.796 227 1HD LYS 32 1HD LYS 32 8.845 -1.971 -4.896 228 2HD LYS 32 2HD LYS 32 7.206 -1.306 -5.026 229 1HE LYS 32 1HE LYS 32 7.016 -2.803 -6.739 230 2HE LYS 32 2HE LYS 32 7.866 -1.567 -7.680 231 1HZ LYS 32 1HZ LYS 32 9.871 -2.948 -6.463 232 2HZ LYS 32 2HZ LYS 32 8.809 -4.136 -6.797 233 3HZ LYS 32 3HZ LYS 32 9.336 -3.153 -8.005 234 H SER 33 H SER 33 8.816 2.500 -2.760 235 HA SER 33 HA SER 33 10.720 2.287 -0.564 236 1HB SER 33 1HB SER 33 10.059 4.426 -2.543 237 2HB SER 33 2HB SER 33 10.486 4.966 -0.908 238 HG SER 33 HG SER 33 12.172 2.994 -2.008 239 H CYS 34 H CYS 34 9.107 1.478 0.946 240 HA CYS 34 HA CYS 34 7.711 3.556 2.252 241 1HB CYS 34 1HB CYS 34 5.453 2.739 2.033 242 2HB CYS 34 2HB CYS 34 6.099 3.223 0.463 243 H ASP 35 H ASP 35 5.750 1.524 3.395 244 HA ASP 35 HA ASP 35 6.633 -0.791 4.191 245 1HB ASP 35 1HB ASP 35 8.374 1.306 5.350 246 2HB ASP 35 2HB ASP 35 7.732 0.179 6.555 247 HD2 ASP 35 HD ASP 35 8.039 -2.110 5.828 248 H CYS 36 H CYS 36 4.171 -0.191 4.184 249 HA CYS 36 HA CYS 36 3.312 -0.045 6.891 250 1HB CYS 36 1HB CYS 36 3.343 2.383 5.320 251 2HB CYS 36 2HB CYS 36 1.696 1.952 5.784 252 HA PRO 37 HA PRO 37 0.214 -2.364 4.887 253 1HB PRO 37 1HB PRO 37 -1.721 -2.425 6.814 254 2HB PRO 37 2HB PRO 37 -0.313 -3.484 6.827 255 1HG PRO 37 1HG PRO 37 -0.887 -1.070 8.420 256 2HG PRO 37 2HG PRO 37 0.290 -2.389 8.766 257 1HD PRO 37 1HD PRO 37 0.813 0.257 7.800 258 2HD PRO 37 2HD PRO 37 1.987 -1.056 7.971 259 H LEU 38 H LEU 38 -1.400 -2.185 3.406 260 HA LEU 38 HA LEU 38 -2.807 0.389 3.587 261 1HB LEU 38 1HB LEU 38 -2.335 -1.039 1.008 262 2HB LEU 38 2HB LEU 38 -2.658 0.679 1.305 263 HG LEU 38 HG LEU 38 -0.257 0.374 2.555 264 1HD1 LEU 38 1HD1 LEU 38 0.591 -1.634 2.030 265 2HD1 LEU 38 2HD1 LEU 38 -0.525 -1.865 0.664 266 3HD1 LEU 38 3HD1 LEU 38 0.948 -0.889 0.453 267 1HD2 LEU 38 1HD2 LEU 38 -1.278 1.786 0.416 268 2HD2 LEU 38 2HD2 LEU 38 0.353 1.958 1.108 269 3HD2 LEU 38 3HD2 LEU 38 0.091 0.901 -0.300 270 H TYR 39 H TYR 39 -4.203 -1.055 5.063 271 HA TYR 39 HA TYR 39 -6.422 -1.942 3.466 272 1HB TYR 39 1HB TYR 39 -5.531 -4.109 3.503 273 2HB TYR 39 2HB TYR 39 -4.405 -3.714 4.808 274 HD1 TYR 39 1HD TYR 39 -8.040 -4.380 4.176 275 HD2 TYR 39 2HD TYR 39 -4.780 -4.595 6.939 276 HE1 TYR 39 1HE TYR 39 -9.502 -5.666 5.812 277 HE2 TYR 39 2HE TYR 39 -6.252 -5.879 8.565 278 HH TYR 39 HH TYR 39 -9.622 -6.649 7.724 279 HA PRO 40 HA PRO 40 -8.229 -0.336 7.085 280 1HB PRO 40 1HB PRO 40 -10.846 -0.621 6.364 281 2HB PRO 40 2HB PRO 40 -9.857 0.752 5.874 282 1HG PRO 40 1HG PRO 40 -10.714 -1.613 4.334 283 2HG PRO 40 2HG PRO 40 -10.134 -0.024 3.720 284 1HD PRO 40 1HD PRO 40 -8.728 -2.515 3.813 285 2HD PRO 40 2HD PRO 40 -8.062 -0.945 3.348 286 H GLY 41 H GLY 41 -7.669 -1.605 8.788 287 1HA GLY 41 1HA GLY 41 -8.571 -4.278 8.981 288 2HA GLY 41 2HA GLY 41 -7.864 -3.302 10.253 Start of MODEL 19 1 H CYS 1 H CYS 1 -2.230 -3.756 6.034 2 HA CYS 1 HA CYS 1 -0.120 -3.805 4.584 3 1HB CYS 1 1HB CYS 1 1.043 -4.810 6.687 4 2HB CYS 1 2HB CYS 1 0.385 -6.342 6.101 5 H THR 2 H THR 2 0.173 -6.482 3.584 6 HA THR 2 HA THR 2 -2.357 -7.789 3.499 7 HB THR 2 HB THR 2 -3.283 -6.817 1.639 8 HG1 THR 2 1HG THR 2 -1.971 -7.671 0.045 9 1HG2 THR 2 1HG2 THR 2 -2.636 -4.662 2.574 10 2HG2 THR 2 2HG2 THR 2 -0.945 -4.892 2.069 11 3HG2 THR 2 3HG2 THR 2 -2.210 -4.619 0.846 12 H THR 3 H THR 3 0.986 -7.572 3.180 13 HA THR 3 HA THR 3 1.138 -10.358 2.521 14 HB THR 3 HB THR 3 2.299 -8.257 0.615 15 HG1 THR 3 1HG THR 3 0.352 -8.665 -0.350 16 1HG2 THR 3 1HG2 THR 3 3.666 -10.410 0.874 17 2HG2 THR 3 2HG2 THR 3 2.213 -11.306 0.372 18 3HG2 THR 3 3HG2 THR 3 2.985 -10.163 -0.752 19 H GLY 4 H GLY 4 3.703 -7.977 1.859 20 1HA GLY 4 1HA GLY 4 4.980 -8.805 4.399 21 2HA GLY 4 2HA GLY 4 5.847 -8.704 2.880 22 HA PRO 5 HA PRO 5 6.635 -4.582 4.088 23 1HB PRO 5 1HB PRO 5 8.203 -3.865 1.969 24 2HB PRO 5 2HB PRO 5 8.824 -4.714 3.382 25 1HG PRO 5 1HG PRO 5 8.207 -5.728 0.682 26 2HG PRO 5 2HG PRO 5 9.268 -6.458 1.940 27 1HD PRO 5 1HD PRO 5 6.629 -7.251 1.156 28 2HD PRO 5 2HD PRO 5 7.569 -7.899 2.507 29 H CYS 6 H CYS 6 4.534 -5.594 1.873 30 HA CYS 6 HA CYS 6 2.860 -4.599 0.853 31 1HB CYS 6 1HB CYS 6 1.970 -2.661 1.624 32 2HB CYS 6 2HB CYS 6 3.010 -3.096 2.984 33 H CYS 7 H CYS 7 5.684 -2.294 0.906 34 HA CYS 7 HA CYS 7 5.339 -1.191 -1.550 35 1HB CYS 7 1HB CYS 7 7.511 -1.497 0.349 36 2HB CYS 7 2HB CYS 7 8.101 -1.462 -1.316 37 H ARG 8 H ARG 8 4.902 -2.330 -3.420 38 HA ARG 8 HA ARG 8 5.216 -3.635 -5.119 39 1HB ARG 8 1HB ARG 8 7.548 -3.200 -5.264 40 2HB ARG 8 2HB ARG 8 7.911 -4.107 -3.786 41 1HG ARG 8 1HG ARG 8 7.916 -6.125 -4.874 42 2HG ARG 8 2HG ARG 8 6.626 -5.658 -5.996 43 1HD ARG 8 1HD ARG 8 8.142 -5.129 -7.583 44 2HD ARG 8 2HD ARG 8 9.001 -4.042 -6.480 45 HE ARG 8 HE ARG 8 9.710 -6.656 -5.713 46 1HH1 ARG 8 2HH2 ARG 8 10.030 -4.662 -8.626 47 2HH1 ARG 8 1HH2 ARG 8 11.478 -5.451 -9.156 48 1HH2 ARG 8 2HH1 ARG 8 11.589 -7.678 -6.407 49 2HH2 ARG 8 1HH1 ARG 8 12.374 -7.178 -7.890 50 H GLN 9 H GLN 9 3.964 -4.508 -2.541 51 HA GLN 9 HA GLN 9 3.772 -7.268 -3.215 52 1HB GLN 9 1HB GLN 9 5.095 -6.355 -0.661 53 2HB GLN 9 2HB GLN 9 4.166 -7.863 -0.674 54 1HG GLN 9 1HG GLN 9 6.544 -7.149 -2.441 55 2HG GLN 9 2HG GLN 9 6.528 -8.346 -1.137 56 1HE2 GLN 9 1HE2 GLN 9 5.203 -10.218 -1.366 57 2HE2 GLN 9 2HE2 GLN 9 4.827 -10.866 -2.926 58 H CYS 10 H CYS 10 3.167 -5.744 -0.006 59 HA CYS 10 HA CYS 10 0.345 -6.260 -0.415 60 1HB CYS 10 1HB CYS 10 0.162 -6.509 1.791 61 2HB CYS 10 2HB CYS 10 1.908 -6.757 1.710 62 H LYS 11 H LYS 11 1.642 -4.145 -1.971 63 HA LYS 11 HA LYS 11 0.060 -1.910 -0.987 64 1HB LYS 11 1HB LYS 11 1.737 -0.487 -0.641 65 2HB LYS 11 2HB LYS 11 2.743 -1.935 -0.467 66 1HG LYS 11 1HG LYS 11 3.977 -1.168 -2.189 67 2HG LYS 11 2HG LYS 11 2.593 -1.476 -3.253 68 1HD LYS 11 1HD LYS 11 3.330 1.102 -1.821 69 2HD LYS 11 2HD LYS 11 3.230 0.833 -3.570 70 1HE LYS 11 1HE LYS 11 0.950 1.065 -3.600 71 2HE LYS 11 2HE LYS 11 0.734 0.261 -2.036 72 1HZ LYS 11 1HZ LYS 11 0.550 2.932 -2.437 73 2HZ LYS 11 2HZ LYS 11 0.823 2.250 -0.984 74 3HZ LYS 11 3HZ LYS 11 2.092 2.763 -1.893 75 H LEU 12 H LEU 12 -0.238 -4.001 -3.080 76 HA LEU 12 HA LEU 12 0.487 -3.261 -5.582 77 1HB LEU 12 1HB LEU 12 -1.339 -4.516 -6.374 78 2HB LEU 12 2HB LEU 12 -0.752 -5.295 -4.894 79 HG LEU 12 HG LEU 12 -2.911 -3.410 -4.368 80 1HD1 LEU 12 1HD1 LEU 12 -3.833 -5.797 -5.932 81 2HD1 LEU 12 2HD1 LEU 12 -4.672 -4.267 -5.581 82 3HD1 LEU 12 3HD1 LEU 12 -3.360 -4.306 -6.783 83 1HD2 LEU 12 1HD2 LEU 12 -2.570 -4.846 -2.630 84 2HD2 LEU 12 2HD2 LEU 12 -3.857 -5.729 -3.487 85 3HD2 LEU 12 3HD2 LEU 12 -2.157 -6.216 -3.689 86 H LYS 13 H LYS 13 -1.493 -1.488 -3.345 87 HA LYS 13 HA LYS 13 -3.275 -0.133 -4.813 88 1HB LYS 13 1HB LYS 13 -1.383 1.078 -2.786 89 2HB LYS 13 2HB LYS 13 -2.952 1.741 -3.276 90 1HG LYS 13 1HG LYS 13 -3.564 0.588 -1.361 91 2HG LYS 13 2HG LYS 13 -3.815 -0.686 -2.567 92 1HD LYS 13 1HD LYS 13 -1.058 -0.746 -1.778 93 2HD LYS 13 2HD LYS 13 -2.028 -0.668 -0.298 94 1HE LYS 13 1HE LYS 13 -2.783 -2.582 -2.513 95 2HE LYS 13 2HE LYS 13 -1.478 -3.012 -1.397 96 1HZ LYS 13 1HZ LYS 13 -4.323 -2.510 -0.760 97 2HZ LYS 13 2HZ LYS 13 -3.439 -3.834 -0.416 98 3HZ LYS 13 3HZ LYS 13 -3.139 -2.427 0.381 99 HA PRO 14 HA PRO 14 -1.229 2.220 -7.796 100 1HB PRO 14 1HB PRO 14 -2.704 4.515 -7.932 101 2HB PRO 14 2HB PRO 14 -3.202 3.004 -8.689 102 1HG PRO 14 1HG PRO 14 -4.158 4.290 -6.213 103 2HG PRO 14 2HG PRO 14 -4.977 3.040 -7.217 104 1HD PRO 14 1HD PRO 14 -3.652 2.715 -4.700 105 2HD PRO 14 2HD PRO 14 -4.302 1.427 -5.723 106 H ALA 15 H ALA 15 -0.108 2.365 -5.139 107 HA ALA 15 HA ALA 15 1.420 3.527 -4.042 108 1HB ALA 15 1HB ALA 15 2.948 4.922 -5.349 109 2HB ALA 15 2HB ALA 15 2.520 3.465 -6.277 110 3HB ALA 15 3HB ALA 15 1.760 5.024 -6.673 111 H GLY 16 H GLY 16 0.659 4.756 -2.393 112 1HA GLY 16 1HA GLY 16 -0.928 7.142 -3.062 113 2HA GLY 16 2HA GLY 16 -0.920 6.282 -1.536 114 H THR 17 H THR 17 0.857 6.558 -0.035 115 HA THR 17 HA THR 17 2.993 8.351 -0.714 116 HB THR 17 HB THR 17 0.702 9.215 1.123 117 HG1 THR 17 1HG THR 17 0.290 10.313 -0.751 118 1HG2 THR 17 1HG2 THR 17 2.756 11.220 0.604 119 2HG2 THR 17 2HG2 THR 17 2.120 10.667 2.172 120 3HG2 THR 17 3HG2 THR 17 3.484 9.811 1.414 121 H THR 18 H THR 18 2.040 8.549 2.579 122 HA THR 18 HA THR 18 3.423 6.091 3.300 123 HB THR 18 HB THR 18 4.467 8.912 3.686 124 HG1 THR 18 1HG THR 18 5.636 6.244 3.351 125 1HG2 THR 18 1HG2 THR 18 4.927 8.460 5.893 126 2HG2 THR 18 2HG2 THR 18 4.432 6.759 5.725 127 3HG2 THR 18 3HG2 THR 18 6.078 7.258 5.263 128 H CYS 19 H CYS 19 1.928 5.117 4.523 129 HA CYS 19 HA CYS 19 0.221 4.887 5.919 130 1HB CYS 19 1HB CYS 19 2.143 6.544 7.545 131 2HB CYS 19 2HB CYS 19 0.698 5.798 8.235 132 H TRP 20 H TRP 20 -1.439 6.019 4.722 133 HA TRP 20 HA TRP 20 -2.205 8.531 5.993 134 1HB TRP 20 1HB TRP 20 -0.870 8.839 3.784 135 2HB TRP 20 2HB TRP 20 -2.365 8.315 3.006 136 HD1 TRP 20 HD TRP 20 -1.436 11.007 5.706 137 HE1 TRP 20 1HE TRP 20 -2.800 13.227 5.290 138 HE3 TRP 20 3HE TRP 20 -4.043 9.277 1.699 139 HZ2 TRP 20 2HZ TRP 20 -4.772 13.994 3.374 140 HZ3 TRP 20 3HZ TRP 20 -5.669 10.824 0.613 141 HH2 TRP 20 HH TRP 20 -6.051 13.111 1.390 142 H LYS 21 H LYS 21 -2.973 5.939 3.566 143 HA LYS 21 HA LYS 21 -4.765 4.663 3.324 144 1HB LYS 21 1HB LYS 21 -5.097 3.972 5.439 145 2HB LYS 21 2HB LYS 21 -5.125 5.611 6.112 146 1HG LYS 21 1HG LYS 21 -7.342 4.713 6.341 147 2HG LYS 21 2HG LYS 21 -7.419 5.896 5.022 148 1HD LYS 21 1HD LYS 21 -7.141 4.004 3.392 149 2HD LYS 21 2HD LYS 21 -7.211 2.861 4.745 150 1HE LYS 21 1HE LYS 21 -9.392 4.870 4.037 151 2HE LYS 21 2HE LYS 21 -9.419 3.163 3.566 152 1HZ LYS 21 1HZ LYS 21 -10.668 3.467 5.597 153 2HZ LYS 21 2HZ LYS 21 -9.323 2.632 5.980 154 3HZ LYS 21 3HZ LYS 21 -9.400 4.243 6.300 155 H THR 22 H THR 22 -6.412 4.937 1.885 156 HA THR 22 HA THR 22 -8.387 6.885 2.076 157 HB THR 22 HB THR 22 -6.588 8.531 1.714 158 HG1 THR 22 1HG THR 22 -7.494 9.292 -0.386 159 1HG2 THR 22 1HG2 THR 22 -5.839 6.599 -0.490 160 2HG2 THR 22 2HG2 THR 22 -5.621 8.340 -0.790 161 3HG2 THR 22 3HG2 THR 22 -4.778 7.558 0.569 162 H SER 23 H SER 23 -9.268 7.292 -0.407 163 HA SER 23 HA SER 23 -10.406 6.284 -1.963 164 1HB SER 23 1HB SER 23 -7.645 5.677 -2.392 165 2HB SER 23 2HB SER 23 -8.575 4.248 -2.874 166 HG SER 23 HG SER 23 -8.234 5.883 -4.585 167 H LEU 24 H LEU 24 -10.427 5.093 0.822 168 HA LEU 24 HA LEU 24 -11.513 3.442 1.823 169 1HB LEU 24 1HB LEU 24 -13.180 3.405 0.203 170 2HB LEU 24 2HB LEU 24 -12.126 2.669 -1.016 171 HG LEU 24 HG LEU 24 -12.633 1.072 1.434 172 1HD1 LEU 24 1HD1 LEU 24 -14.818 1.169 -0.631 173 2HD1 LEU 24 2HD1 LEU 24 -14.841 0.484 1.010 174 3HD1 LEU 24 3HD1 LEU 24 -14.838 2.249 0.782 175 1HD2 LEU 24 1HD2 LEU 24 -11.529 -0.282 0.024 176 2HD2 LEU 24 2HD2 LEU 24 -13.126 -0.522 -0.722 177 3HD2 LEU 24 3HD2 LEU 24 -11.989 0.661 -1.412 178 H THR 25 H THR 25 -8.627 3.347 0.345 179 HA THR 25 HA THR 25 -8.076 0.643 1.364 180 HB THR 25 HB THR 25 -7.598 1.847 -1.346 181 HG1 THR 25 1HG THR 25 -8.719 -0.050 -1.540 182 1HG2 THR 25 1HG2 THR 25 -5.518 0.351 0.259 183 2HG2 THR 25 2HG2 THR 25 -5.752 -0.110 -1.443 184 3HG2 THR 25 3HG2 THR 25 -5.289 1.558 -1.029 185 H SER 26 H SER 26 -6.445 0.500 2.793 186 HA SER 26 HA SER 26 -5.384 2.823 3.837 187 1HB SER 26 1HB SER 26 -4.889 -0.110 4.131 188 2HB SER 26 2HB SER 26 -3.624 0.969 4.742 189 HG SER 26 HG SER 26 -4.987 0.739 6.468 190 H HIS 27 H HIS 27 -4.680 3.823 1.691 191 HA HIS 27 HA HIS 27 -2.768 2.883 0.046 192 1HB HIS 27 1HB HIS 27 -2.878 4.920 -0.824 193 2HB HIS 27 2HB HIS 27 -4.057 5.283 0.442 194 HD1 HIS 27 1HD HIS 27 -1.534 5.196 2.644 195 HD2 HIS 27 2HD HIS 27 -2.052 7.657 -0.714 196 HE1 HIS 27 1HE HIS 27 -0.112 7.275 3.054 197 HE2 HIS 27 2HE HIS 27 -0.467 8.760 0.957 198 H TYR 28 H TYR 28 -2.436 3.730 3.426 199 HA TYR 28 HA TYR 28 -0.102 4.564 4.048 200 1HB TYR 28 1HB TYR 28 -1.644 2.073 4.723 201 2HB TYR 28 2HB TYR 28 0.031 2.057 5.287 202 HD1 TYR 28 1HD TYR 28 -2.819 4.513 5.202 203 HD2 TYR 28 2HD TYR 28 0.311 2.703 7.488 204 HE1 TYR 28 1HE TYR 28 -3.501 5.883 7.233 205 HE2 TYR 28 2HE TYR 28 -0.380 4.079 9.511 206 HH TYR 28 HH TYR 28 -2.998 6.461 9.262 207 H CYS 29 H CYS 29 1.160 4.553 1.987 208 HA CYS 29 HA CYS 29 3.409 3.199 2.063 209 1HB CYS 29 1HB CYS 29 1.502 1.222 1.709 210 2HB CYS 29 2HB CYS 29 2.168 1.449 0.089 211 H THR 30 H THR 30 3.960 2.507 -0.646 212 HA THR 30 HA THR 30 2.750 4.490 -2.355 213 HB THR 30 HB THR 30 4.661 5.549 -0.826 214 HG1 THR 30 1HG THR 30 4.057 6.876 -2.508 215 1HG2 THR 30 1HG2 THR 30 6.862 5.453 -2.001 216 2HG2 THR 30 2HG2 THR 30 6.418 3.847 -1.376 217 3HG2 THR 30 3HG2 THR 30 6.217 4.216 -3.105 218 H GLY 31 H GLY 31 5.548 2.234 -1.903 219 1HA GLY 31 1HA GLY 31 5.125 0.217 -3.429 220 2HA GLY 31 2HA GLY 31 5.195 1.411 -4.710 221 H LYS 32 H LYS 32 7.014 -0.776 -2.861 222 HA LYS 32 HA LYS 32 9.169 -1.285 -2.902 223 1HB LYS 32 1HB LYS 32 9.587 -0.865 -5.100 224 2HB LYS 32 2HB LYS 32 9.127 0.843 -4.998 225 1HG LYS 32 1HG LYS 32 11.545 -0.148 -3.490 226 2HG LYS 32 2HG LYS 32 11.680 0.144 -5.233 227 1HD LYS 32 1HD LYS 32 10.399 2.428 -4.401 228 2HD LYS 32 2HD LYS 32 11.396 2.071 -2.980 229 1HE LYS 32 1HE LYS 32 13.013 3.190 -4.135 230 2HE LYS 32 2HE LYS 32 13.207 1.668 -5.017 231 1HZ LYS 32 1HZ LYS 32 12.389 4.127 -6.044 232 2HZ LYS 32 2HZ LYS 32 12.489 2.717 -6.852 233 3HZ LYS 32 3HZ LYS 32 11.088 3.124 -6.095 234 H SER 33 H SER 33 8.735 2.317 -2.764 235 HA SER 33 HA SER 33 10.625 2.314 -0.565 236 1HB SER 33 1HB SER 33 10.850 4.671 -0.925 237 2HB SER 33 2HB SER 33 10.869 3.917 -2.528 238 HG SER 33 HG SER 33 8.701 4.572 -2.845 239 H CYS 34 H CYS 34 8.955 1.229 0.844 240 HA CYS 34 HA CYS 34 7.633 3.148 2.408 241 1HB CYS 34 1HB CYS 34 5.352 2.611 2.079 242 2HB CYS 34 2HB CYS 34 6.032 3.065 0.514 243 H ASP 35 H ASP 35 5.732 1.386 3.649 244 HA ASP 35 HA ASP 35 6.454 -1.181 3.995 245 1HB ASP 35 1HB ASP 35 8.674 -0.489 4.713 246 2HB ASP 35 2HB ASP 35 7.997 0.675 5.863 247 HD2 ASP 35 HD ASP 35 8.851 -1.934 8.032 248 H CYS 36 H CYS 36 4.141 0.490 4.048 249 HA CYS 36 HA CYS 36 3.361 0.355 6.870 250 1HB CYS 36 1HB CYS 36 2.550 2.247 4.680 251 2HB CYS 36 2HB CYS 36 1.550 2.014 6.116 252 HA PRO 37 HA PRO 37 0.309 -2.471 5.576 253 1HB PRO 37 1HB PRO 37 -1.723 -2.028 7.348 254 2HB PRO 37 2HB PRO 37 -0.288 -2.973 7.742 255 1HG PRO 37 1HG PRO 37 -1.009 -0.215 8.503 256 2HG PRO 37 2HG PRO 37 0.181 -1.320 9.280 257 1HD PRO 37 1HD PRO 37 0.684 0.929 7.580 258 2HD PRO 37 2HD PRO 37 1.881 -0.221 8.190 259 H LEU 38 H LEU 38 -1.388 -2.868 4.182 260 HA LEU 38 HA LEU 38 -2.983 -0.486 3.597 261 1HB LEU 38 1HB LEU 38 -1.691 -2.189 1.475 262 2HB LEU 38 2HB LEU 38 -2.673 -0.733 1.239 263 HG LEU 38 HG LEU 38 -0.620 0.171 2.841 264 1HD1 LEU 38 1HD1 LEU 38 1.430 -0.718 2.228 265 2HD1 LEU 38 2HD1 LEU 38 0.409 -2.167 2.390 266 3HD1 LEU 38 3HD1 LEU 38 0.774 -1.511 0.777 267 1HD2 LEU 38 1HD2 LEU 38 -0.102 1.540 1.074 268 2HD2 LEU 38 2HD2 LEU 38 -0.291 0.246 -0.133 269 3HD2 LEU 38 3HD2 LEU 38 -1.728 0.991 0.604 270 H TYR 39 H TYR 39 -4.165 -2.118 5.207 271 HA TYR 39 HA TYR 39 -5.639 -4.024 3.517 272 1HB TYR 39 1HB TYR 39 -4.134 -4.317 5.897 273 2HB TYR 39 2HB TYR 39 -5.792 -4.207 6.493 274 HD1 TYR 39 1HD TYR 39 -4.628 -5.761 3.306 275 HD2 TYR 39 2HD TYR 39 -6.178 -6.414 7.239 276 HE1 TYR 39 1HE TYR 39 -4.971 -8.222 2.769 277 HE2 TYR 39 2HE TYR 39 -6.517 -8.873 6.688 278 HH TYR 39 HH TYR 39 -6.911 -10.178 4.446 279 HA PRO 40 HA PRO 40 -9.166 -1.683 4.440 280 1HB PRO 40 1HB PRO 40 -11.115 -3.483 3.794 281 2HB PRO 40 2HB PRO 40 -10.274 -2.504 2.595 282 1HG PRO 40 1HG PRO 40 -9.940 -5.352 3.287 283 2HG PRO 40 2HG PRO 40 -9.446 -4.497 1.783 284 1HD PRO 40 1HD PRO 40 -7.799 -5.373 3.954 285 2HD PRO 40 2HD PRO 40 -7.288 -4.396 2.571 286 H GLY 41 H GLY 41 -10.258 -1.027 6.200 287 1HA GLY 41 1HA GLY 41 -11.742 -2.541 7.875 288 2HA GLY 41 2HA GLY 41 -10.115 -2.809 8.470 Start of MODEL 20 1 H CYS 1 H CYS 1 -1.975 -3.138 2.803 2 HA CYS 1 HA CYS 1 -3.614 -4.397 2.020 3 1HB CYS 1 1HB CYS 1 -3.400 -5.753 0.231 4 2HB CYS 1 2HB CYS 1 -1.882 -4.861 0.094 5 H THR 2 H THR 2 -0.712 -6.180 3.235 6 HA THR 2 HA THR 2 -1.572 -7.006 5.600 7 HB THR 2 HB THR 2 -3.628 -7.969 4.833 8 HG1 THR 2 1HG THR 2 -1.623 -10.102 4.679 9 1HG2 THR 2 1HG2 THR 2 -1.909 -9.054 2.565 10 2HG2 THR 2 2HG2 THR 2 -3.426 -9.867 3.018 11 3HG2 THR 2 3HG2 THR 2 -3.454 -8.176 2.459 12 H THR 3 H THR 3 -0.029 -7.894 2.544 13 HA THR 3 HA THR 3 1.538 -10.004 3.355 14 HB THR 3 HB THR 3 2.571 -7.764 1.577 15 HG1 THR 3 1HG THR 3 1.029 -8.747 0.000 16 1HG2 THR 3 1HG2 THR 3 3.994 -9.644 1.371 17 2HG2 THR 3 2HG2 THR 3 2.671 -10.796 1.666 18 3HG2 THR 3 3HG2 THR 3 2.794 -9.965 0.096 19 H GLY 4 H GLY 4 4.074 -8.126 2.669 20 1HA GLY 4 1HA GLY 4 4.762 -7.851 5.515 21 2HA GLY 4 2HA GLY 4 5.880 -8.003 4.173 22 HA PRO 5 HA PRO 5 6.110 -3.650 4.434 23 1HB PRO 5 1HB PRO 5 7.994 -3.261 2.495 24 2HB PRO 5 2HB PRO 5 8.395 -3.676 4.160 25 1HG PRO 5 1HG PRO 5 8.386 -5.358 1.736 26 2HG PRO 5 2HG PRO 5 9.239 -5.641 3.296 27 1HD PRO 5 1HD PRO 5 6.869 -6.907 2.307 28 2HD PRO 5 2HD PRO 5 7.578 -7.105 3.915 29 H CYS 6 H CYS 6 4.153 -5.146 2.683 30 HA CYS 6 HA CYS 6 2.744 -4.694 1.057 31 1HB CYS 6 1HB CYS 6 1.990 -2.343 0.823 32 2HB CYS 6 2HB CYS 6 1.966 -2.965 2.475 33 H CYS 7 H CYS 7 5.331 -2.130 0.865 34 HA CYS 7 HA CYS 7 5.342 -1.594 -1.736 35 1HB CYS 7 1HB CYS 7 7.457 -1.767 0.320 36 2HB CYS 7 2HB CYS 7 8.017 -1.717 -1.354 37 H ARG 8 H ARG 8 5.046 -3.030 -3.418 38 HA ARG 8 HA ARG 8 5.798 -4.493 -4.901 39 1HB ARG 8 1HB ARG 8 7.522 -5.775 -2.735 40 2HB ARG 8 2HB ARG 8 7.630 -6.078 -4.476 41 1HG ARG 8 1HG ARG 8 8.060 -3.345 -3.212 42 2HG ARG 8 2HG ARG 8 9.385 -4.482 -3.516 43 1HD ARG 8 1HD ARG 8 7.494 -3.760 -5.757 44 2HD ARG 8 2HD ARG 8 8.766 -2.616 -5.309 45 HE ARG 8 HE ARG 8 10.409 -4.173 -6.058 46 1HH1 ARG 8 2HH2 ARG 8 7.150 -5.550 -6.282 47 2HH1 ARG 8 1HH2 ARG 8 7.644 -6.872 -7.286 48 1HH2 ARG 8 2HH1 ARG 8 11.045 -5.892 -7.363 49 2HH2 ARG 8 1HH1 ARG 8 9.871 -7.073 -7.907 50 H GLN 9 H GLN 9 4.476 -5.031 -1.772 51 HA GLN 9 HA GLN 9 3.029 -7.295 -2.804 52 1HB GLN 9 1HB GLN 9 5.109 -7.505 -0.763 53 2HB GLN 9 2HB GLN 9 3.546 -8.073 -0.150 54 1HG GLN 9 1HG GLN 9 4.933 -8.987 -2.708 55 2HG GLN 9 2HG GLN 9 4.813 -9.920 -1.209 56 1HE2 GLN 9 1HE2 GLN 9 3.959 -11.068 -3.454 57 2HE2 GLN 9 2HE2 GLN 9 2.232 -11.171 -3.529 58 H CYS 10 H CYS 10 1.532 -5.324 -2.847 59 HA CYS 10 HA CYS 10 -0.556 -5.369 -1.434 60 1HB CYS 10 1HB CYS 10 1.495 -4.274 0.472 61 2HB CYS 10 2HB CYS 10 -0.221 -3.887 0.635 62 H LYS 11 H LYS 11 2.095 -2.866 -1.378 63 HA LYS 11 HA LYS 11 0.538 -0.669 -1.870 64 1HB LYS 11 1HB LYS 11 2.536 0.439 -2.493 65 2HB LYS 11 2HB LYS 11 2.971 -0.742 -1.245 66 1HG LYS 11 1HG LYS 11 4.643 -0.965 -2.913 67 2HG LYS 11 2HG LYS 11 3.553 -2.332 -3.206 68 1HD LYS 11 1HD LYS 11 2.520 -0.129 -4.684 69 2HD LYS 11 2HD LYS 11 4.270 -0.139 -4.973 70 1HE LYS 11 1HE LYS 11 4.211 -2.362 -5.834 71 2HE LYS 11 2HE LYS 11 2.596 -2.674 -5.179 72 1HZ LYS 11 1HZ LYS 11 2.523 -2.206 -7.566 73 2HZ LYS 11 2HZ LYS 11 1.732 -1.029 -6.765 74 3HZ LYS 11 3HZ LYS 11 3.259 -0.759 -7.310 75 H LEU 12 H LEU 12 0.642 -3.418 -3.755 76 HA LEU 12 HA LEU 12 0.951 -2.812 -6.320 77 1HB LEU 12 1HB LEU 12 -0.482 -4.525 -6.841 78 2HB LEU 12 2HB LEU 12 0.052 -4.921 -5.199 79 HG LEU 12 HG LEU 12 -2.209 -3.591 -4.613 80 1HD1 LEU 12 1HD1 LEU 12 -3.587 -4.967 -6.690 81 2HD1 LEU 12 2HD1 LEU 12 -3.566 -3.224 -6.327 82 3HD1 LEU 12 3HD1 LEU 12 -2.363 -3.916 -7.441 83 1HD2 LEU 12 1HD2 LEU 12 -2.143 -6.503 -5.443 84 2HD2 LEU 12 2HD2 LEU 12 -1.562 -5.862 -3.887 85 3HD2 LEU 12 3HD2 LEU 12 -3.285 -5.736 -4.317 86 H LYS 13 H LYS 13 -1.361 -1.325 -4.131 87 HA LYS 13 HA LYS 13 -3.259 -0.409 -5.894 88 1HB LYS 13 1HB LYS 13 -3.301 1.580 -4.197 89 2HB LYS 13 2HB LYS 13 -3.789 -0.046 -3.688 90 1HG LYS 13 1HG LYS 13 -0.888 0.514 -3.441 91 2HG LYS 13 2HG LYS 13 -1.909 1.524 -2.403 92 1HD LYS 13 1HD LYS 13 -1.055 -1.092 -1.886 93 2HD LYS 13 2HD LYS 13 -2.328 -0.223 -1.012 94 1HE LYS 13 1HE LYS 13 -2.988 -1.631 -3.600 95 2HE LYS 13 2HE LYS 13 -2.822 -2.590 -2.120 96 1HZ LYS 13 1HZ LYS 13 -5.123 -1.712 -2.620 97 2HZ LYS 13 2HZ LYS 13 -4.582 -1.357 -1.126 98 3HZ LYS 13 3HZ LYS 13 -4.529 -0.212 -2.305 99 HA PRO 14 HA PRO 14 -1.408 2.742 -8.204 100 1HB PRO 14 1HB PRO 14 -3.165 4.832 -8.153 101 2HB PRO 14 2HB PRO 14 -3.388 3.410 -9.167 102 1HG PRO 14 1HG PRO 14 -4.712 4.164 -6.641 103 2HG PRO 14 2HG PRO 14 -5.267 2.997 -7.895 104 1HD PRO 14 1HD PRO 14 -4.122 2.444 -5.328 105 2HD PRO 14 2HD PRO 14 -4.503 1.265 -6.590 106 H ALA 15 H ALA 15 -0.226 2.568 -5.731 107 HA ALA 15 HA ALA 15 1.072 3.710 -4.349 108 1HB ALA 15 1HB ALA 15 2.506 4.710 -5.768 109 2HB ALA 15 2HB ALA 15 1.207 5.067 -6.930 110 3HB ALA 15 3HB ALA 15 1.530 6.188 -5.587 111 H GLY 16 H GLY 16 1.020 5.263 -2.626 112 1HA GLY 16 1HA GLY 16 -1.241 7.130 -2.623 113 2HA GLY 16 2HA GLY 16 -1.190 5.888 -1.388 114 H THR 17 H THR 17 0.664 5.815 0.118 115 HA THR 17 HA THR 17 2.520 8.008 0.087 116 HB THR 17 HB THR 17 0.611 7.876 2.452 117 HG1 THR 17 1HG THR 17 -0.787 8.403 0.753 118 1HG2 THR 17 1HG2 THR 17 1.521 9.932 3.024 119 2HG2 THR 17 2HG2 THR 17 2.907 9.334 2.080 120 3HG2 THR 17 3HG2 THR 17 1.718 10.421 1.324 121 H THR 18 H THR 18 2.704 7.685 3.135 122 HA THR 18 HA THR 18 3.898 4.992 3.107 123 HB THR 18 HB THR 18 5.440 7.155 2.901 124 HG1 THR 18 1HG THR 18 5.624 5.039 4.930 125 1HG2 THR 18 1HG2 THR 18 5.440 6.943 5.905 126 2HG2 THR 18 2HG2 THR 18 5.912 8.313 4.872 127 3HG2 THR 18 3HG2 THR 18 4.191 7.978 5.174 128 H CYS 19 H CYS 19 1.355 6.677 4.212 129 HA CYS 19 HA CYS 19 0.619 4.970 6.134 130 1HB CYS 19 1HB CYS 19 2.753 6.591 7.156 131 2HB CYS 19 2HB CYS 19 1.269 6.943 8.047 132 H TRP 20 H TRP 20 -0.868 6.090 4.315 133 HA TRP 20 HA TRP 20 -2.126 8.452 5.528 134 1HB TRP 20 1HB TRP 20 -1.094 8.604 3.210 135 2HB TRP 20 2HB TRP 20 -2.409 7.562 2.665 136 HD1 TRP 20 HD TRP 20 -4.635 8.813 2.039 137 HE1 TRP 20 1HE TRP 20 -5.642 11.243 2.249 138 HE3 TRP 20 3HE TRP 20 -0.915 10.669 4.966 139 HZ2 TRP 20 2HZ TRP 20 -4.788 13.615 3.586 140 HZ3 TRP 20 3HZ TRP 20 -1.078 13.051 5.680 141 HH2 TRP 20 HH TRP 20 -2.930 14.511 5.036 142 H LYS 21 H LYS 21 -3.083 5.763 3.270 143 HA LYS 21 HA LYS 21 -4.685 4.239 3.408 144 1HB LYS 21 1HB LYS 21 -4.440 3.348 5.441 145 2HB LYS 21 2HB LYS 21 -4.309 4.920 6.248 146 1HG LYS 21 1HG LYS 21 -6.976 4.093 5.130 147 2HG LYS 21 2HG LYS 21 -6.425 3.314 6.624 148 1HD LYS 21 1HD LYS 21 -5.892 6.061 6.980 149 2HD LYS 21 2HD LYS 21 -7.485 6.013 6.204 150 1HE LYS 21 1HE LYS 21 -8.468 5.207 8.080 151 2HE LYS 21 2HE LYS 21 -7.211 3.983 8.319 152 1HZ LYS 21 1HZ LYS 21 -7.526 6.439 9.668 153 2HZ LYS 21 2HZ LYS 21 -6.421 5.278 9.955 154 3HZ LYS 21 3HZ LYS 21 -6.102 6.448 8.846 155 H THR 22 H THR 22 -6.476 4.570 2.215 156 HA THR 22 HA THR 22 -7.833 7.101 2.407 157 HB THR 22 HB THR 22 -9.003 6.245 0.411 158 HG1 THR 22 1HG THR 22 -8.775 3.969 -0.036 159 1HG2 THR 22 1HG2 THR 22 -6.056 5.439 0.548 160 2HG2 THR 22 2HG2 THR 22 -7.018 5.309 -0.944 161 3HG2 THR 22 3HG2 THR 22 -6.744 6.902 -0.198 162 H SER 23 H SER 23 -10.016 4.571 1.670 163 HA SER 23 HA SER 23 -10.923 4.371 4.393 164 1HB SER 23 1HB SER 23 -12.283 5.955 2.268 165 2HB SER 23 2HB SER 23 -13.334 4.905 3.236 166 HG SER 23 HG SER 23 -11.422 6.674 4.466 167 H LEU 24 H LEU 24 -9.850 2.752 1.945 168 HA LEU 24 HA LEU 24 -11.555 0.508 2.373 169 1HB LEU 24 1HB LEU 24 -11.765 0.373 -0.278 170 2HB LEU 24 2HB LEU 24 -13.021 1.047 0.776 171 HG LEU 24 HG LEU 24 -11.051 3.034 -0.089 172 1HD1 LEU 24 1HD1 LEU 24 -11.769 3.164 -2.422 173 2HD1 LEU 24 2HD1 LEU 24 -10.952 1.621 -2.081 174 3HD1 LEU 24 3HD1 LEU 24 -12.726 1.677 -2.220 175 1HD2 LEU 24 1HD2 LEU 24 -12.809 4.236 0.546 176 2HD2 LEU 24 2HD2 LEU 24 -13.601 3.747 -0.971 177 3HD2 LEU 24 3HD2 LEU 24 -13.880 2.814 0.519 178 H THR 25 H THR 25 -9.406 1.644 -0.328 179 HA THR 25 HA THR 25 -7.958 -0.757 -0.398 180 HB THR 25 HB THR 25 -7.861 1.986 -1.591 181 HG1 THR 25 1HG THR 25 -8.701 0.367 -2.901 182 1HG2 THR 25 1HG2 THR 25 -5.559 2.111 -1.497 183 2HG2 THR 25 2HG2 THR 25 -5.404 0.418 -0.966 184 3HG2 THR 25 3HG2 THR 25 -5.614 0.795 -2.693 185 H SER 26 H SER 26 -7.267 2.404 1.207 186 HA SER 26 HA SER 26 -6.027 2.861 2.937 187 1HB SER 26 1HB SER 26 -6.370 -0.038 3.234 188 2HB SER 26 2HB SER 26 -4.846 0.530 3.942 189 HG SER 26 HG SER 26 -5.978 1.887 5.330 190 H HIS 27 H HIS 27 -4.487 3.950 1.593 191 HA HIS 27 HA HIS 27 -2.522 2.662 0.127 192 1HB HIS 27 1HB HIS 27 -2.632 5.426 1.343 193 2HB HIS 27 2HB HIS 27 -1.367 4.900 0.225 194 HD1 HIS 27 1HD HIS 27 -3.377 3.273 -1.689 195 HD2 HIS 27 2HD HIS 27 -3.815 7.241 -0.401 196 HE1 HIS 27 1HE HIS 27 -4.876 4.421 -3.405 197 HE2 HIS 27 2HE HIS 27 -5.111 6.864 -2.566 198 H TYR 28 H TYR 28 -1.107 4.861 2.452 199 HA TYR 28 HA TYR 28 0.407 4.603 4.050 200 1HB TYR 28 1HB TYR 28 -1.444 2.290 4.222 201 2HB TYR 28 2HB TYR 28 0.158 1.868 4.837 202 HD1 TYR 28 1HD TYR 28 0.311 1.992 7.139 203 HD2 TYR 28 2HD TYR 28 -2.124 4.850 5.087 204 HE1 TYR 28 1HE TYR 28 -0.269 3.099 9.353 205 HE2 TYR 28 2HE TYR 28 -2.695 5.947 7.308 206 HH TYR 28 HH TYR 28 -2.351 5.979 9.439 207 H CYS 29 H CYS 29 1.054 3.995 1.245 208 HA CYS 29 HA CYS 29 3.621 3.105 1.556 209 1HB CYS 29 1HB CYS 29 2.488 0.931 2.117 210 2HB CYS 29 2HB CYS 29 1.929 0.865 0.443 211 H THR 30 H THR 30 4.567 2.534 -0.762 212 HA THR 30 HA THR 30 2.891 3.787 -2.827 213 HB THR 30 HB THR 30 4.305 5.595 -2.520 214 HG1 THR 30 1HG THR 30 4.993 4.516 -4.535 215 1HG2 THR 30 1HG2 THR 30 5.515 5.099 -0.546 216 2HG2 THR 30 2HG2 THR 30 6.113 3.552 -1.190 217 3HG2 THR 30 3HG2 THR 30 6.807 5.086 -1.769 218 H GLY 31 H GLY 31 6.243 2.435 -2.734 219 1HA GLY 31 1HA GLY 31 5.607 -0.048 -3.860 220 2HA GLY 31 2HA GLY 31 5.922 1.069 -5.174 221 H LYS 32 H LYS 32 7.333 -1.059 -2.907 222 HA LYS 32 HA LYS 32 9.422 -1.631 -2.481 223 1HB LYS 32 1HB LYS 32 9.497 -0.830 -5.082 224 2HB LYS 32 2HB LYS 32 10.754 0.199 -4.373 225 1HG LYS 32 1HG LYS 32 10.650 -2.762 -4.719 226 2HG LYS 32 2HG LYS 32 12.047 -1.673 -4.773 227 1HD LYS 32 1HD LYS 32 11.460 -1.433 -2.161 228 2HD LYS 32 2HD LYS 32 10.754 -3.038 -2.423 229 1HE LYS 32 1HE LYS 32 12.880 -3.896 -3.233 230 2HE LYS 32 2HE LYS 32 13.602 -2.281 -3.224 231 1HZ LYS 32 1HZ LYS 32 13.745 -2.314 -0.928 232 2HZ LYS 32 2HZ LYS 32 12.503 -3.345 -0.716 233 3HZ LYS 32 3HZ LYS 32 13.943 -3.909 -1.276 234 H SER 33 H SER 33 9.516 -0.871 -0.370 235 HA SER 33 HA SER 33 11.164 0.374 0.838 236 1HB SER 33 1HB SER 33 10.040 2.630 -0.852 237 2HB SER 33 2HB SER 33 10.986 2.933 0.617 238 HG SER 33 HG SER 33 12.079 2.809 -1.637 239 H CYS 34 H CYS 34 8.617 2.844 0.414 240 HA CYS 34 HA CYS 34 7.317 3.649 2.076 241 1HB CYS 34 1HB CYS 34 5.260 2.343 2.240 242 2HB CYS 34 2HB CYS 34 5.835 2.495 0.577 243 H ASP 35 H ASP 35 5.730 1.511 3.767 244 HA ASP 35 HA ASP 35 7.035 -0.068 5.318 245 1HB ASP 35 1HB ASP 35 8.095 2.673 5.781 246 2HB ASP 35 2HB ASP 35 7.691 1.782 7.255 247 HD2 ASP 35 HD ASP 35 9.043 -0.840 5.628 248 H CYS 36 H CYS 36 4.431 0.184 4.867 249 HA CYS 36 HA CYS 36 3.294 0.578 7.420 250 1HB CYS 36 1HB CYS 36 3.363 2.873 5.747 251 2HB CYS 36 2HB CYS 36 1.691 2.310 5.814 252 HA PRO 37 HA PRO 37 0.619 -2.215 5.411 253 1HB PRO 37 1HB PRO 37 -1.482 -2.276 7.156 254 2HB PRO 37 2HB PRO 37 0.006 -3.186 7.407 255 1HG PRO 37 1HG PRO 37 -0.930 -0.692 8.675 256 2HG PRO 37 2HG PRO 37 0.317 -1.851 9.262 257 1HD PRO 37 1HD PRO 37 0.701 0.724 8.070 258 2HD PRO 37 2HD PRO 37 1.961 -0.446 8.483 259 H LEU 38 H LEU 38 -0.903 -2.371 3.820 260 HA LEU 38 HA LEU 38 -2.330 0.159 3.434 261 1HB LEU 38 1HB LEU 38 -2.168 -1.850 1.275 262 2HB LEU 38 2HB LEU 38 -2.092 -0.082 1.203 263 HG LEU 38 HG LEU 38 0.122 -2.019 1.910 264 1HD1 LEU 38 1HD1 LEU 38 -0.262 -0.060 -0.368 265 2HD1 LEU 38 2HD1 LEU 38 1.249 -0.941 -0.032 266 3HD1 LEU 38 3HD1 LEU 38 -0.228 -1.837 -0.458 267 1HD2 LEU 38 1HD2 LEU 38 -0.081 0.231 3.276 268 2HD2 LEU 38 2HD2 LEU 38 1.488 -0.346 2.665 269 3HD2 LEU 38 3HD2 LEU 38 0.607 0.930 1.790 270 H TYR 39 H TYR 39 -3.377 -1.417 5.440 271 HA TYR 39 HA TYR 39 -5.961 -1.973 4.366 272 1HB TYR 39 1HB TYR 39 -4.096 -4.021 4.219 273 2HB TYR 39 2HB TYR 39 -4.709 -4.286 5.855 274 HD1 TYR 39 1HD TYR 39 -6.220 -6.038 5.912 275 HD2 TYR 39 2HD TYR 39 -6.300 -3.366 2.572 276 HE1 TYR 39 1HE TYR 39 -8.204 -7.297 4.941 277 HE2 TYR 39 2HE TYR 39 -8.282 -4.635 1.613 278 HH TYR 39 HH TYR 39 -9.210 -6.901 1.764 279 HA PRO 40 HA PRO 40 -6.876 -1.007 8.484 280 1HB PRO 40 1HB PRO 40 -9.478 -1.823 8.637 281 2HB PRO 40 2HB PRO 40 -8.989 -0.288 7.921 282 1HG PRO 40 1HG PRO 40 -9.826 -2.803 6.626 283 2HG PRO 40 2HG PRO 40 -9.800 -1.141 5.937 284 1HD PRO 40 1HD PRO 40 -7.984 -3.301 5.447 285 2HD PRO 40 2HD PRO 40 -7.825 -1.638 4.869 286 H GLY 41 H GLY 41 -5.174 -2.898 8.732 287 1HA GLY 41 1HA GLY 41 -5.906 -4.259 11.036 288 2HA GLY 41 2HA GLY 41 -6.233 -5.346 9.701 Start of MODEL 21 1 H CYS 1 H CYS 1 -4.150 -3.477 2.760 2 HA CYS 1 HA CYS 1 -2.852 -5.149 0.740 3 1HB CYS 1 1HB CYS 1 -1.115 -3.815 0.617 4 2HB CYS 1 2HB CYS 1 -1.892 -2.668 1.710 5 H THR 2 H THR 2 -1.420 -6.829 1.754 6 HA THR 2 HA THR 2 -1.320 -7.208 4.533 7 HB THR 2 HB THR 2 -3.669 -7.675 4.549 8 HG1 THR 2 1HG THR 2 -2.340 -9.409 5.453 9 1HG2 THR 2 1HG2 THR 2 -3.900 -7.867 2.000 10 2HG2 THR 2 2HG2 THR 2 -3.251 -9.518 2.142 11 3HG2 THR 2 3HG2 THR 2 -4.797 -9.099 2.918 12 H THR 3 H THR 3 0.814 -7.237 3.195 13 HA THR 3 HA THR 3 1.396 -10.076 2.735 14 HB THR 3 HB THR 3 2.001 -7.692 0.921 15 HG1 THR 3 1HG THR 3 0.747 -10.340 0.798 16 1HG2 THR 3 1HG2 THR 3 3.351 -9.207 -0.449 17 2HG2 THR 3 2HG2 THR 3 4.041 -9.212 1.192 18 3HG2 THR 3 3HG2 THR 3 3.021 -10.566 0.652 19 H GLY 4 H GLY 4 3.672 -7.441 2.123 20 1HA GLY 4 1HA GLY 4 4.953 -8.018 4.723 21 2HA GLY 4 2HA GLY 4 5.858 -8.025 3.222 22 HA PRO 5 HA PRO 5 6.413 -3.775 4.109 23 1HB PRO 5 1HB PRO 5 8.180 -3.226 2.101 24 2HB PRO 5 2HB PRO 5 8.668 -3.888 3.658 25 1HG PRO 5 1HG PRO 5 8.384 -5.216 1.040 26 2HG PRO 5 2HG PRO 5 9.323 -5.757 2.478 27 1HD PRO 5 1HD PRO 5 6.814 -6.745 1.514 28 2HD PRO 5 2HD PRO 5 7.619 -7.201 3.021 29 H CYS 6 H CYS 6 4.503 -5.079 1.939 30 HA CYS 6 HA CYS 6 2.965 -4.295 0.585 31 1HB CYS 6 1HB CYS 6 2.013 -2.182 0.908 32 2HB CYS 6 2HB CYS 6 2.587 -2.706 2.494 33 H CYS 7 H CYS 7 5.721 -1.916 0.732 34 HA CYS 7 HA CYS 7 5.602 -0.987 -1.814 35 1HB CYS 7 1HB CYS 7 7.634 -1.201 0.270 36 2HB CYS 7 2HB CYS 7 8.320 -1.177 -1.356 37 H ARG 8 H ARG 8 4.840 -2.808 -3.145 38 HA ARG 8 HA ARG 8 5.554 -4.008 -4.919 39 1HB ARG 8 1HB ARG 8 7.894 -5.017 -3.241 40 2HB ARG 8 2HB ARG 8 7.673 -5.236 -4.987 41 1HG ARG 8 1HG ARG 8 7.565 -2.414 -4.152 42 2HG ARG 8 2HG ARG 8 9.110 -3.181 -3.746 43 1HD ARG 8 1HD ARG 8 7.857 -3.464 -6.498 44 2HD ARG 8 2HD ARG 8 8.870 -2.069 -6.095 45 HE ARG 8 HE ARG 8 10.196 -4.524 -5.361 46 1HH1 ARG 8 2HH2 ARG 8 9.365 -2.573 -8.201 47 2HH1 ARG 8 1HH2 ARG 8 10.691 -3.163 -9.147 48 1HH2 ARG 8 2HH1 ARG 8 11.916 -5.285 -6.594 49 2HH2 ARG 8 1HH1 ARG 8 12.153 -4.714 -8.233 50 H GLN 9 H GLN 9 5.041 -4.778 -1.610 51 HA GLN 9 HA GLN 9 3.823 -7.263 -2.407 52 1HB GLN 9 1HB GLN 9 6.246 -7.064 -0.740 53 2HB GLN 9 2HB GLN 9 4.953 -8.007 0.021 54 1HG GLN 9 1HG GLN 9 4.960 -9.617 -1.673 55 2HG GLN 9 2HG GLN 9 5.632 -8.510 -2.880 56 1HE2 GLN 9 1HE2 GLN 9 7.616 -8.933 -3.436 57 2HE2 GLN 9 2HE2 GLN 9 8.864 -9.628 -2.456 58 H CYS 10 H CYS 10 1.945 -5.774 -2.090 59 HA CYS 10 HA CYS 10 0.290 -6.153 -0.244 60 1HB CYS 10 1HB CYS 10 2.284 -5.837 1.399 61 2HB CYS 10 2HB CYS 10 1.909 -4.118 1.251 62 H LYS 11 H LYS 11 2.295 -3.177 -0.874 63 HA LYS 11 HA LYS 11 0.019 -1.520 -1.157 64 1HB LYS 11 1HB LYS 11 1.503 0.186 -1.366 65 2HB LYS 11 2HB LYS 11 2.547 -1.002 -0.567 66 1HG LYS 11 1HG LYS 11 3.961 -0.601 -2.299 67 2HG LYS 11 2HG LYS 11 2.886 -1.657 -3.233 68 1HD LYS 11 1HD LYS 11 1.541 0.673 -3.498 69 2HD LYS 11 2HD LYS 11 3.172 1.331 -3.278 70 1HE LYS 11 1HE LYS 11 2.121 -0.500 -5.450 71 2HE LYS 11 2HE LYS 11 2.978 1.038 -5.630 72 1HZ LYS 11 1HZ LYS 11 4.217 -1.433 -4.542 73 2HZ LYS 11 2HZ LYS 11 4.380 -0.943 -6.087 74 3HZ LYS 11 3HZ LYS 11 4.951 0.001 -4.869 75 H LEU 12 H LEU 12 -0.289 -3.903 -2.719 76 HA LEU 12 HA LEU 12 0.433 -3.747 -5.342 77 1HB LEU 12 1HB LEU 12 -1.033 -5.404 -5.680 78 2HB LEU 12 2HB LEU 12 -0.978 -5.459 -3.909 79 HG LEU 12 HG LEU 12 -3.038 -3.770 -4.219 80 1HD1 LEU 12 1HD1 LEU 12 -3.669 -3.571 -6.345 81 2HD1 LEU 12 2HD1 LEU 12 -2.629 -4.918 -6.866 82 3HD1 LEU 12 3HD1 LEU 12 -4.258 -5.246 -6.226 83 1HD2 LEU 12 1HD2 LEU 12 -4.307 -6.226 -4.476 84 2HD2 LEU 12 2HD2 LEU 12 -2.725 -6.629 -3.768 85 3HD2 LEU 12 3HD2 LEU 12 -3.786 -5.448 -2.962 86 H LYS 13 H LYS 13 -1.426 -1.482 -3.549 87 HA LYS 13 HA LYS 13 -3.213 -0.594 -5.488 88 1HB LYS 13 1HB LYS 13 -1.866 1.117 -3.399 89 2HB LYS 13 2HB LYS 13 -3.473 1.332 -4.116 90 1HG LYS 13 1HG LYS 13 -4.124 0.287 -2.182 91 2HG LYS 13 2HG LYS 13 -3.769 -1.175 -3.117 92 1HD LYS 13 1HD LYS 13 -1.300 -0.695 -2.151 93 2HD LYS 13 2HD LYS 13 -2.232 0.094 -0.867 94 1HE LYS 13 1HE LYS 13 -1.701 -2.354 -0.464 95 2HE LYS 13 2HE LYS 13 -3.424 -1.960 -0.379 96 1HZ LYS 13 1HZ LYS 13 -2.075 -3.689 -2.209 97 2HZ LYS 13 2HZ LYS 13 -3.673 -3.560 -1.925 98 3HZ LYS 13 3HZ LYS 13 -2.950 -2.533 -2.985 99 HA PRO 14 HA PRO 14 -0.737 1.558 -8.288 100 1HB PRO 14 1HB PRO 14 -2.365 3.597 -9.099 101 2HB PRO 14 2HB PRO 14 -2.510 1.949 -9.704 102 1HG PRO 14 1HG PRO 14 -4.156 3.396 -7.730 103 2HG PRO 14 2HG PRO 14 -4.579 1.929 -8.684 104 1HD PRO 14 1HD PRO 14 -3.865 2.108 -5.915 105 2HD PRO 14 2HD PRO 14 -4.116 0.626 -6.848 106 H ALA 15 H ALA 15 0.161 2.048 -5.792 107 HA ALA 15 HA ALA 15 1.511 3.477 -4.764 108 1HB ALA 15 1HB ALA 15 2.615 5.096 -5.989 109 2HB ALA 15 2HB ALA 15 1.923 4.136 -7.319 110 3HB ALA 15 3HB ALA 15 1.131 5.644 -6.806 111 H GLY 16 H GLY 16 0.813 4.377 -2.897 112 1HA GLY 16 1HA GLY 16 -1.543 6.158 -3.052 113 2HA GLY 16 2HA GLY 16 -1.180 5.084 -1.716 114 H THR 17 H THR 17 0.227 5.734 -0.072 115 HA THR 17 HA THR 17 1.853 8.106 -0.512 116 HB THR 17 HB THR 17 -0.293 7.930 1.670 117 HG1 THR 17 1HG THR 17 -1.488 8.893 0.076 118 1HG2 THR 17 1HG2 THR 17 0.611 9.849 2.534 119 2HG2 THR 17 2HG2 THR 17 2.060 9.496 1.563 120 3HG2 THR 17 3HG2 THR 17 0.790 10.561 0.912 121 H THR 18 H THR 18 1.340 7.688 2.774 122 HA THR 18 HA THR 18 2.994 5.395 3.183 123 HB THR 18 HB THR 18 4.152 8.215 3.350 124 HG1 THR 18 1HG THR 18 4.587 7.096 1.399 125 1HG2 THR 18 1HG2 THR 18 5.752 7.546 4.866 126 2HG2 THR 18 2HG2 THR 18 4.566 6.308 5.340 127 3HG2 THR 18 3HG2 THR 18 5.844 5.911 4.167 128 H CYS 19 H CYS 19 2.110 4.479 4.916 129 HA CYS 19 HA CYS 19 0.789 4.317 6.700 130 1HB CYS 19 1HB CYS 19 2.761 6.318 7.805 131 2HB CYS 19 2HB CYS 19 1.799 5.164 8.731 132 H TRP 20 H TRP 20 -0.747 5.735 5.114 133 HA TRP 20 HA TRP 20 -1.616 8.024 6.739 134 1HB TRP 20 1HB TRP 20 -0.443 8.365 4.354 135 2HB TRP 20 2HB TRP 20 -2.104 8.105 3.815 136 HD1 TRP 20 HD TRP 20 -3.761 10.159 4.120 137 HE1 TRP 20 1HE TRP 20 -3.625 12.628 5.043 138 HE3 TRP 20 3HE TRP 20 0.828 9.668 6.254 139 HZ2 TRP 20 2HZ TRP 20 -1.657 14.065 6.527 140 HZ3 TRP 20 3HZ TRP 20 1.786 11.653 7.420 141 HH2 TRP 20 HH TRP 20 0.620 13.795 7.577 142 H LYS 21 H LYS 21 -2.754 6.185 3.813 143 HA LYS 21 HA LYS 21 -4.459 4.724 3.646 144 1HB LYS 21 1HB LYS 21 -5.488 3.791 5.422 145 2HB LYS 21 2HB LYS 21 -4.132 4.527 6.293 146 1HG LYS 21 1HG LYS 21 -5.850 6.616 6.307 147 2HG LYS 21 2HG LYS 21 -7.031 5.297 6.235 148 1HD LYS 21 1HD LYS 21 -5.209 4.423 8.153 149 2HD LYS 21 2HD LYS 21 -5.290 6.166 8.459 150 1HE LYS 21 1HE LYS 21 -7.358 5.979 9.360 151 2HE LYS 21 2HE LYS 21 -7.956 5.042 7.982 152 1HZ LYS 21 1HZ LYS 21 -6.594 4.031 10.406 153 2HZ LYS 21 2HZ LYS 21 -8.059 3.605 9.836 154 3HZ LYS 21 3HZ LYS 21 -6.703 3.153 9.021 155 H THR 22 H THR 22 -6.009 5.333 2.237 156 HA THR 22 HA THR 22 -6.975 8.039 2.334 157 HB THR 22 HB THR 22 -8.024 7.353 0.174 158 HG1 THR 22 1HG THR 22 -7.709 5.034 -0.354 159 1HG2 THR 22 1HG2 THR 22 -6.050 7.004 -1.049 160 2HG2 THR 22 2HG2 THR 22 -5.362 7.608 0.478 161 3HG2 THR 22 3HG2 THR 22 -5.397 5.859 0.148 162 H SER 23 H SER 23 -9.510 8.177 1.661 163 HA SER 23 HA SER 23 -10.777 7.163 4.033 164 1HB SER 23 1HB SER 23 -10.930 9.560 2.773 165 2HB SER 23 2HB SER 23 -12.332 8.759 2.038 166 HG SER 23 HG SER 23 -11.834 8.967 4.886 167 H LEU 24 H LEU 24 -10.028 5.619 1.365 168 HA LEU 24 HA LEU 24 -12.650 4.328 1.150 169 1HB LEU 24 1HB LEU 24 -11.062 4.242 -1.285 170 2HB LEU 24 2HB LEU 24 -12.790 4.559 -1.053 171 HG LEU 24 HG LEU 24 -11.770 6.446 -2.126 172 1HD1 LEU 24 1HD1 LEU 24 -13.226 6.597 0.253 173 2HD1 LEU 24 2HD1 LEU 24 -11.931 7.804 0.430 174 3HD1 LEU 24 3HD1 LEU 24 -13.025 7.872 -0.973 175 1HD2 LEU 24 1HD2 LEU 24 -9.476 5.787 -0.811 176 2HD2 LEU 24 2HD2 LEU 24 -9.750 7.314 -1.683 177 3HD2 LEU 24 3HD2 LEU 24 -9.988 7.239 0.080 178 H THR 25 H THR 25 -9.379 3.774 -0.307 179 HA THR 25 HA THR 25 -9.495 1.055 0.754 180 HB THR 25 HB THR 25 -7.981 2.514 -1.444 181 HG1 THR 25 1HG THR 25 -9.061 0.749 -2.576 182 1HG2 THR 25 1HG2 THR 25 -6.971 0.282 0.161 183 2HG2 THR 25 2HG2 THR 25 -7.325 -0.254 -1.499 184 3HG2 THR 25 3HG2 THR 25 -6.201 1.097 -1.220 185 H SER 26 H SER 26 -6.392 2.557 0.110 186 HA SER 26 HA SER 26 -5.813 3.556 2.580 187 1HB SER 26 1HB SER 26 -6.097 0.753 2.732 188 2HB SER 26 2HB SER 26 -4.348 1.036 2.744 189 HG SER 26 HG SER 26 -4.487 1.911 4.706 190 H HIS 27 H HIS 27 -4.149 4.881 1.962 191 HA HIS 27 HA HIS 27 -2.358 3.872 -0.108 192 1HB HIS 27 1HB HIS 27 -3.224 6.608 0.769 193 2HB HIS 27 2HB HIS 27 -1.703 6.404 -0.109 194 HD1 HIS 27 1HD HIS 27 -3.607 8.053 -1.609 195 HD2 HIS 27 2HD HIS 27 -3.815 3.866 -1.749 196 HE1 HIS 27 1HE HIS 27 -4.877 7.471 -3.745 197 HE2 HIS 27 2HE HIS 27 -4.980 4.880 -3.783 198 H TYR 28 H TYR 28 -2.213 2.961 2.690 199 HA TYR 28 HA TYR 28 -0.176 4.383 4.038 200 1HB TYR 28 1HB TYR 28 -1.942 2.117 4.302 201 2HB TYR 28 2HB TYR 28 -0.311 1.486 4.547 202 HD1 TYR 28 1HD TYR 28 0.355 1.348 6.756 203 HD2 TYR 28 2HD TYR 28 -2.283 4.511 5.601 204 HE1 TYR 28 1HE TYR 28 0.294 2.183 9.157 205 HE2 TYR 28 2HE TYR 28 -2.336 5.336 8.006 206 HH TYR 28 HH TYR 28 -0.160 4.606 10.208 207 H CYS 29 H CYS 29 0.712 4.174 1.379 208 HA CYS 29 HA CYS 29 3.273 3.289 1.706 209 1HB CYS 29 1HB CYS 29 2.215 1.032 1.861 210 2HB CYS 29 2HB CYS 29 1.694 1.210 0.182 211 H THR 30 H THR 30 4.403 3.170 -0.569 212 HA THR 30 HA THR 30 2.827 4.753 -2.491 213 HB THR 30 HB THR 30 4.392 6.272 -1.449 214 HG1 THR 30 1HG THR 30 5.748 5.046 -3.738 215 1HG2 THR 30 1HG2 THR 30 6.455 4.053 -1.894 216 2HG2 THR 30 2HG2 THR 30 6.870 5.723 -1.440 217 3HG2 THR 30 3HG2 THR 30 5.928 4.704 -0.324 218 H GLY 31 H GLY 31 5.497 2.393 -1.972 219 1HA GLY 31 1HA GLY 31 5.179 0.410 -3.465 220 2HA GLY 31 2HA GLY 31 5.134 1.559 -4.786 221 H LYS 32 H LYS 32 7.142 -0.394 -2.791 222 HA LYS 32 HA LYS 32 9.311 -0.854 -2.982 223 1HB LYS 32 1HB LYS 32 9.069 -0.139 -5.372 224 2HB LYS 32 2HB LYS 32 9.620 1.477 -4.891 225 1HG LYS 32 1HG LYS 32 11.443 -0.022 -5.772 226 2HG LYS 32 2HG LYS 32 11.755 0.582 -4.136 227 1HD LYS 32 1HD LYS 32 11.151 -1.519 -3.153 228 2HD LYS 32 2HD LYS 32 10.443 -2.115 -4.665 229 1HE LYS 32 1HE LYS 32 12.516 -3.190 -4.660 230 2HE LYS 32 2HE LYS 32 12.896 -1.743 -5.608 231 1HZ LYS 32 1HZ LYS 32 14.541 -1.605 -4.048 232 2HZ LYS 32 2HZ LYS 32 13.403 -0.869 -3.147 233 3HZ LYS 32 3HZ LYS 32 13.692 -2.473 -2.939 234 H SER 33 H SER 33 10.106 -0.516 -0.968 235 HA SER 33 HA SER 33 11.410 0.522 0.489 236 1HB SER 33 1HB SER 33 11.964 2.168 -1.473 237 2HB SER 33 2HB SER 33 10.840 3.267 -0.655 238 HG SER 33 HG SER 33 12.263 2.672 1.329 239 H CYS 34 H CYS 34 8.916 -0.249 1.128 240 HA CYS 34 HA CYS 34 7.952 1.982 2.747 241 1HB CYS 34 1HB CYS 34 6.123 0.054 1.318 242 2HB CYS 34 2HB CYS 34 5.654 1.430 2.320 243 H ASP 35 H ASP 35 5.932 0.553 4.118 244 HA ASP 35 HA ASP 35 6.499 -2.012 4.811 245 1HB ASP 35 1HB ASP 35 8.670 -1.284 5.637 246 2HB ASP 35 2HB ASP 35 7.937 0.038 6.555 247 HD2 ASP 35 HD ASP 35 9.370 -2.288 8.261 248 H CYS 36 H CYS 36 4.257 -0.268 4.434 249 HA CYS 36 HA CYS 36 3.126 -0.304 7.130 250 1HB CYS 36 1HB CYS 36 3.608 1.999 5.540 251 2HB CYS 36 2HB CYS 36 1.860 1.745 5.597 252 HA PRO 37 HA PRO 37 0.071 -2.568 4.987 253 1HB PRO 37 1HB PRO 37 -1.900 -2.598 6.879 254 2HB PRO 37 2HB PRO 37 -0.528 -3.703 6.899 255 1HG PRO 37 1HG PRO 37 -1.050 -1.300 8.526 256 2HG PRO 37 2HG PRO 37 0.075 -2.663 8.866 257 1HD PRO 37 1HD PRO 37 0.705 -0.021 7.960 258 2HD PRO 37 2HD PRO 37 1.830 -1.376 8.126 259 H LEU 38 H LEU 38 -1.471 -2.286 3.458 260 HA LEU 38 HA LEU 38 -2.701 0.374 3.589 261 1HB LEU 38 1HB LEU 38 -2.307 -1.366 1.167 262 2HB LEU 38 2HB LEU 38 -2.822 0.329 1.210 263 HG LEU 38 HG LEU 38 -0.374 0.407 2.472 264 1HD1 LEU 38 1HD1 LEU 38 0.546 -1.629 2.073 265 2HD1 LEU 38 2HD1 LEU 38 -0.421 -1.909 0.604 266 3HD1 LEU 38 3HD1 LEU 38 0.996 -0.834 0.545 267 1HD2 LEU 38 1HD2 LEU 38 0.029 1.939 0.900 268 2HD2 LEU 38 2HD2 LEU 38 -0.166 0.766 -0.424 269 3HD2 LEU 38 3HD2 LEU 38 -1.595 1.554 0.283 270 H TYR 39 H TYR 39 -3.981 -1.170 5.285 271 HA TYR 39 HA TYR 39 -6.389 -1.927 3.808 272 1HB TYR 39 1HB TYR 39 -6.430 -4.049 4.957 273 2HB TYR 39 2HB TYR 39 -4.733 -3.874 4.499 274 HD1 TYR 39 1HD TYR 39 -3.089 -4.141 6.132 275 HD2 TYR 39 2HD TYR 39 -7.075 -3.158 7.339 276 HE1 TYR 39 1HE TYR 39 -2.426 -4.412 8.571 277 HE2 TYR 39 2HE TYR 39 -6.398 -3.433 9.773 278 HH TYR 39 HH TYR 39 -3.038 -4.198 10.635 279 HA PRO 40 HA PRO 40 -8.183 0.334 7.046 280 1HB PRO 40 1HB PRO 40 -10.811 -0.263 6.597 281 2HB PRO 40 2HB PRO 40 -9.940 0.982 5.705 282 1HG PRO 40 1HG PRO 40 -10.714 -1.746 4.890 283 2HG PRO 40 2HG PRO 40 -10.273 -0.344 3.848 284 1HD PRO 40 1HD PRO 40 -8.700 -2.649 4.488 285 2HD PRO 40 2HD PRO 40 -8.165 -1.224 3.591 286 H GLY 41 H GLY 41 -8.459 0.141 9.197 287 1HA GLY 41 1HA GLY 41 -8.319 -2.467 10.279 288 2HA GLY 41 2HA GLY 41 -8.595 -0.971 11.149 Start of MODEL 22 1 H CYS 1 H CYS 1 -2.904 -3.572 3.811 2 HA CYS 1 HA CYS 1 -2.085 -4.659 2.739 3 1HB CYS 1 1HB CYS 1 -1.261 -5.071 1.959 4 2HB CYS 1 2HB CYS 1 -1.123 -4.942 3.018 5 H THR 2 H THR 2 -0.836 -6.389 2.830 6 HA THR 2 HA THR 2 -1.678 -6.909 4.031 7 HB THR 2 HB THR 2 -2.380 -6.624 3.350 8 HG1 THR 2 1HG THR 2 -2.672 -7.343 3.522 9 1HG2 THR 2 1HG2 THR 2 -2.797 -7.608 2.131 10 2HG2 THR 2 2HG2 THR 2 -2.610 -7.841 2.144 11 3HG2 THR 2 3HG2 THR 2 -3.076 -7.757 2.203 12 H THR 3 H THR 3 0.450 -7.440 2.556 13 HA THR 3 HA THR 3 1.056 -10.063 2.656 14 HB THR 3 HB THR 3 2.167 -8.100 0.788 15 HG1 THR 3 1HG THR 3 0.402 -9.310 0.252 16 1HG2 THR 3 1HG2 THR 3 2.876 -10.120 0.581 17 2HG2 THR 3 2HG2 THR 3 2.770 -10.294 0.397 18 3HG2 THR 3 3HG2 THR 3 2.898 -10.206 0.383 19 H GLY 4 H GLY 4 3.554 -7.763 2.061 20 1HA GLY 4 1HA GLY 4 4.651 -8.361 4.635 21 2HA GLY 4 2HA GLY 4 5.590 -8.324 3.226 22 HA PRO 5 HA PRO 5 6.233 -4.267 4.325 23 1HB PRO 5 1HB PRO 5 8.064 -3.676 2.437 24 2HB PRO 5 2HB PRO 5 8.467 -4.450 3.943 25 1HG PRO 5 1HG PRO 5 8.234 -5.582 1.292 26 2HG PRO 5 2HG PRO 5 9.096 -6.236 2.712 27 1HD PRO 5 1HD PRO 5 6.619 -7.046 1.625 28 2HD PRO 5 2HD PRO 5 7.359 -7.601 3.111 29 H CYS 6 H CYS 6 4.402 -5.239 2.121 30 HA CYS 6 HA CYS 6 2.982 -4.364 0.746 31 1HB CYS 6 1HB CYS 6 1.935 -2.433 1.242 32 2HB CYS 6 2HB CYS 6 2.570 -2.971 2.773 33 H CYS 7 H CYS 7 5.233 -2.337 0.386 34 HA CYS 7 HA CYS 7 5.380 -1.112 -1.685 35 1HB CYS 7 1HB CYS 7 7.307 -1.413 0.442 36 2HB CYS 7 2HB CYS 7 8.065 -1.362 -1.128 37 H ARG 8 H ARG 8 4.817 -2.943 -3.091 38 HA ARG 8 HA ARG 8 5.708 -3.905 -4.930 39 1HB ARG 8 1HB ARG 8 7.921 -3.745 -3.966 40 2HB ARG 8 2HB ARG 8 7.697 -5.028 -3.494 41 1HG ARG 8 1HG ARG 8 8.948 -5.120 -4.215 42 2HG ARG 8 2HG ARG 8 7.720 -5.812 -4.245 43 1HD ARG 8 1HD ARG 8 6.998 -5.074 -6.233 44 2HD ARG 8 2HD ARG 8 8.181 -4.563 -6.092 45 HE ARG 8 HE ARG 8 8.550 -5.604 -5.988 46 1HH1 ARG 8 2HH2 ARG 8 8.092 -5.001 -7.658 47 2HH1 ARG 8 1HH2 ARG 8 8.453 -5.365 -8.678 48 1HH2 ARG 8 2HH1 ARG 8 9.455 -6.575 -7.292 49 2HH2 ARG 8 1HH1 ARG 8 8.911 -5.885 -8.762 50 H GLN 9 H GLN 9 4.552 -4.866 -1.984 51 HA GLN 9 HA GLN 9 3.478 -7.188 -3.124 52 1HB GLN 9 1HB GLN 9 5.001 -7.004 -0.699 53 2HB GLN 9 2HB GLN 9 3.744 -8.171 -0.838 54 1HG GLN 9 1HG GLN 9 4.971 -8.314 -3.145 55 2HG GLN 9 2HG GLN 9 5.991 -8.301 -2.054 56 1HE2 GLN 9 1HE2 GLN 9 5.910 -10.049 -2.413 57 2HE2 GLN 9 2HE2 GLN 9 5.663 -11.037 -2.041 58 H CYS 10 H CYS 10 2.613 -5.775 -0.748 59 HA CYS 10 HA CYS 10 0.238 -6.095 -0.462 60 1HB CYS 10 1HB CYS 10 1.615 -6.382 1.290 61 2HB CYS 10 2HB CYS 10 1.378 -5.145 1.375 62 H LYS 11 H LYS 11 2.116 -3.659 -1.553 63 HA LYS 11 HA LYS 11 0.205 -1.651 -1.341 64 1HB LYS 11 1HB LYS 11 1.808 -0.190 -1.200 65 2HB LYS 11 2HB LYS 11 2.803 -1.492 -0.895 66 1HG LYS 11 1HG LYS 11 3.937 -0.638 -2.245 67 2HG LYS 11 2HG LYS 11 2.999 -1.400 -2.946 68 1HD LYS 11 1HD LYS 11 1.847 0.283 -3.299 69 2HD LYS 11 2HD LYS 11 3.165 0.303 -3.442 70 1HE LYS 11 1HE LYS 11 3.317 0.804 -4.982 71 2HE LYS 11 2HE LYS 11 3.048 -0.389 -4.909 72 1HZ LYS 11 1HZ LYS 11 2.280 -0.317 -5.452 73 2HZ LYS 11 2HZ LYS 11 2.242 -0.076 -5.245 74 3HZ LYS 11 3HZ LYS 11 2.968 0.314 -5.918 75 H LEU 12 H LEU 12 -0.145 -3.838 -3.102 76 HA LEU 12 HA LEU 12 0.610 -3.451 -5.642 77 1HB LEU 12 1HB LEU 12 -1.079 -4.883 -6.276 78 2HB LEU 12 2HB LEU 12 -0.480 -5.403 -4.737 79 HG LEU 12 HG LEU 12 -2.536 -3.948 -4.019 80 1HD1 LEU 12 1HD1 LEU 12 -3.608 -4.433 -6.059 81 2HD1 LEU 12 2HD1 LEU 12 -3.646 -4.513 -5.965 82 3HD1 LEU 12 3HD1 LEU 12 -3.564 -4.402 -5.928 83 1HD2 LEU 12 1HD2 LEU 12 -2.549 -6.254 -3.598 84 2HD2 LEU 12 2HD2 LEU 12 -3.020 -6.149 -3.764 85 3HD2 LEU 12 3HD2 LEU 12 -2.693 -6.368 -4.081 86 H LYS 13 H LYS 13 -1.424 -1.557 -3.686 87 HA LYS 13 HA LYS 13 -3.163 -0.539 -5.524 88 1HB LYS 13 1HB LYS 13 -2.578 1.482 -3.827 89 2HB LYS 13 2HB LYS 13 -3.555 0.409 -3.578 90 1HG LYS 13 1HG LYS 13 -2.331 1.207 -2.351 91 2HG LYS 13 2HG LYS 13 -2.823 0.162 -2.656 92 1HD LYS 13 1HD LYS 13 -0.841 -0.375 -2.002 93 2HD LYS 13 2HD LYS 13 -1.784 -0.219 -0.940 94 1HE LYS 13 1HE LYS 13 -2.244 -1.250 -2.966 95 2HE LYS 13 2HE LYS 13 -1.930 -1.610 -1.729 96 1HZ LYS 13 1HZ LYS 13 -3.496 -0.444 -1.650 97 2HZ LYS 13 2HZ LYS 13 -3.613 -0.836 -1.527 98 3HZ LYS 13 3HZ LYS 13 -3.035 -0.415 -0.612 99 HA PRO 14 HA PRO 14 -0.875 2.199 -7.812 100 1HB PRO 14 1HB PRO 14 -2.446 4.370 -8.099 101 2HB PRO 14 2HB PRO 14 -2.661 2.890 -8.997 102 1HG PRO 14 1HG PRO 14 -4.155 3.913 -6.734 103 2HG PRO 14 2HG PRO 14 -4.639 2.688 -7.933 104 1HD PRO 14 1HD PRO 14 -3.823 2.283 -5.270 105 2HD PRO 14 2HD PRO 14 -4.144 1.042 -6.467 106 H ALA 15 H ALA 15 0.088 2.690 -5.732 107 HA ALA 15 HA ALA 15 1.284 3.713 -4.188 108 1HB ALA 15 1HB ALA 15 2.293 5.032 -5.907 109 2HB ALA 15 2HB ALA 15 2.108 4.945 -6.075 110 3HB ALA 15 3HB ALA 15 2.067 5.159 -5.957 111 H GLY 16 H GLY 16 0.788 5.014 -2.608 112 1HA GLY 16 1HA GLY 16 -1.064 7.109 -3.011 113 2HA GLY 16 2HA GLY 16 -1.303 6.006 -1.810 114 H THR 17 H THR 17 0.283 6.738 -0.327 115 HA THR 17 HA THR 17 2.180 8.389 -0.082 116 HB THR 17 HB THR 17 -0.191 8.566 1.676 117 HG1 THR 17 1HG THR 17 -0.355 9.818 -0.132 118 1HG2 THR 17 1HG2 THR 17 1.493 10.296 1.953 119 2HG2 THR 17 2HG2 THR 17 1.405 10.261 2.049 120 3HG2 THR 17 3HG2 THR 17 1.498 10.157 2.003 121 H THR 18 H THR 18 2.630 8.256 2.458 122 HA THR 18 HA THR 18 3.302 5.647 3.008 123 HB THR 18 HB THR 18 4.674 8.110 3.223 124 HG1 THR 18 1HG THR 18 5.551 6.266 2.993 125 1HG2 THR 18 1HG2 THR 18 4.990 7.338 5.423 126 2HG2 THR 18 2HG2 THR 18 5.033 7.115 5.206 127 3HG2 THR 18 3HG2 THR 18 5.162 7.292 5.254 128 H CYS 19 H CYS 19 1.990 5.325 4.563 129 HA CYS 19 HA CYS 19 0.584 4.694 6.131 130 1HB CYS 19 1HB CYS 19 2.461 6.626 7.424 131 2HB CYS 19 2HB CYS 19 1.251 5.794 8.242 132 H TRP 20 H TRP 20 -0.873 5.957 4.509 133 HA TRP 20 HA TRP 20 -1.922 8.281 5.849 134 1HB TRP 20 1HB TRP 20 -0.720 8.492 3.637 135 2HB TRP 20 2HB TRP 20 -2.223 7.988 3.077 136 HD1 TRP 20 HD TRP 20 -2.748 9.928 3.315 137 HE1 TRP 20 1HE TRP 20 -3.518 12.223 3.613 138 HE3 TRP 20 3HE TRP 20 -1.782 9.696 4.692 139 HZ2 TRP 20 2HZ TRP 20 -3.634 13.652 4.374 140 HZ3 TRP 20 3HZ TRP 20 -2.251 11.582 5.196 141 HH2 TRP 20 HH TRP 20 -3.145 13.511 5.055 142 H LYS 21 H LYS 21 -3.046 5.928 3.631 143 HA LYS 21 HA LYS 21 -4.651 4.645 3.453 144 1HB LYS 21 1HB LYS 21 -4.747 3.681 5.226 145 2HB LYS 21 2HB LYS 21 -4.610 5.000 5.912 146 1HG LYS 21 1HG LYS 21 -6.121 5.879 5.762 147 2HG LYS 21 2HG LYS 21 -6.337 4.784 5.755 148 1HD LYS 21 1HD LYS 21 -5.810 4.159 6.691 149 2HD LYS 21 2HD LYS 21 -6.385 4.875 6.070 150 1HE LYS 21 1HE LYS 21 -8.244 5.324 6.474 151 2HE LYS 21 2HE LYS 21 -7.783 4.018 6.622 152 1HZ LYS 21 1HZ LYS 21 -7.606 4.474 7.630 153 2HZ LYS 21 2HZ LYS 21 -7.611 4.326 7.701 154 3HZ LYS 21 3HZ LYS 21 -6.615 4.779 7.659 155 H THR 22 H THR 22 -6.311 4.820 2.215 156 HA THR 22 HA THR 22 -7.636 7.088 2.261 157 HB THR 22 HB THR 22 -8.277 6.745 0.781 158 HG1 THR 22 1HG THR 22 -8.064 5.072 0.837 159 1HG2 THR 22 1HG2 THR 22 -6.117 6.210 0.348 160 2HG2 THR 22 2HG2 THR 22 -6.068 6.383 0.182 161 3HG2 THR 22 3HG2 THR 22 -6.040 6.435 0.406 162 H SER 23 H SER 23 -9.416 5.897 1.865 163 HA SER 23 HA SER 23 -10.572 5.511 3.370 164 1HB SER 23 1HB SER 23 -10.676 7.234 1.815 165 2HB SER 23 2HB SER 23 -11.919 6.225 1.969 166 HG SER 23 HG SER 23 -11.518 7.270 3.498 167 H LEU 24 H LEU 24 -9.946 4.260 1.269 168 HA LEU 24 HA LEU 24 -11.797 2.554 1.265 169 1HB LEU 24 1HB LEU 24 -12.687 3.040 -0.250 170 2HB LEU 24 2HB LEU 24 -11.650 3.548 -0.667 171 HG LEU 24 HG LEU 24 -11.208 2.795 -0.967 172 1HD1 LEU 24 1HD1 LEU 24 -12.384 2.638 -1.982 173 2HD1 LEU 24 2HD1 LEU 24 -12.562 2.733 -1.701 174 3HD1 LEU 24 3HD1 LEU 24 -12.592 2.978 -2.228 175 1HD2 LEU 24 1HD2 LEU 24 -11.556 3.503 -1.578 176 2HD2 LEU 24 2HD2 LEU 24 -11.495 3.906 -1.883 177 3HD2 LEU 24 3HD2 LEU 24 -11.537 3.584 -1.691 178 H THR 25 H THR 25 -9.036 2.985 -0.076 179 HA THR 25 HA THR 25 -8.425 0.346 0.057 180 HB THR 25 HB THR 25 -7.650 2.392 -1.704 181 HG1 THR 25 1HG THR 25 -8.672 0.722 -2.465 182 1HG2 THR 25 1HG2 THR 25 -5.988 0.652 -1.322 183 2HG2 THR 25 2HG2 THR 25 -6.015 0.815 -1.905 184 3HG2 THR 25 3HG2 THR 25 -5.644 1.153 -1.492 185 H SER 26 H SER 26 -6.758 2.078 1.198 186 HA SER 26 HA SER 26 -5.763 2.984 2.973 187 1HB SER 26 1HB SER 26 -5.643 0.052 2.838 188 2HB SER 26 2HB SER 26 -4.719 0.792 3.768 189 HG SER 26 HG SER 26 -6.018 0.945 4.534 190 H HIS 27 H HIS 27 -4.375 4.180 1.711 191 HA HIS 27 HA HIS 27 -2.400 3.070 0.094 192 1HB HIS 27 1HB HIS 27 -2.783 5.824 1.014 193 2HB HIS 27 2HB HIS 27 -1.974 5.300 -0.143 194 HD1 HIS 27 1HD HIS 27 -3.640 5.439 -0.719 195 HD2 HIS 27 2HD HIS 27 -3.651 5.703 -1.102 196 HE1 HIS 27 1HE HIS 27 -4.873 6.022 -2.114 197 HE2 HIS 27 2HE HIS 27 -4.399 6.538 -2.646 198 H TYR 28 H TYR 28 -1.567 3.689 2.672 199 HA TYR 28 HA TYR 28 0.081 4.560 4.029 200 1HB TYR 28 1HB TYR 28 -1.465 2.106 4.305 201 2HB TYR 28 2HB TYR 28 0.187 1.861 4.848 202 HD1 TYR 28 1HD TYR 28 -1.165 3.457 6.011 203 HD2 TYR 28 2HD TYR 28 -0.743 3.133 6.266 204 HE1 TYR 28 1HE TYR 28 -1.741 4.506 8.211 205 HE2 TYR 28 2HE TYR 28 -1.320 4.184 8.466 206 HH TYR 28 HH TYR 28 -1.970 5.247 9.820 207 H CYS 29 H CYS 29 1.030 4.166 1.452 208 HA CYS 29 HA CYS 29 3.552 3.418 1.821 209 1HB CYS 29 1HB CYS 29 1.821 1.333 1.345 210 2HB CYS 29 2HB CYS 29 2.911 1.458 0.520 211 H THR 30 H THR 30 4.265 2.716 -0.753 212 HA THR 30 HA THR 30 2.868 4.336 -2.585 213 HB THR 30 HB THR 30 4.910 5.416 -1.704 214 HG1 THR 30 1HG THR 30 4.602 5.872 -2.594 215 1HG2 THR 30 1HG2 THR 30 5.922 5.357 -2.385 216 2HG2 THR 30 2HG2 THR 30 5.685 5.075 -2.420 217 3HG2 THR 30 3HG2 THR 30 5.854 5.411 -2.412 218 H GLY 31 H GLY 31 5.510 2.180 -2.038 219 1HA GLY 31 1HA GLY 31 5.274 0.112 -3.425 220 2HA GLY 31 2HA GLY 31 5.339 1.222 -4.754 221 H LYS 32 H LYS 32 7.161 -0.783 -2.779 222 HA LYS 32 HA LYS 32 9.281 -1.161 -2.794 223 1HB LYS 32 1HB LYS 32 9.183 -0.642 -4.927 224 2HB LYS 32 2HB LYS 32 9.834 0.243 -4.454 225 1HG LYS 32 1HG LYS 32 10.740 -1.050 -4.679 226 2HG LYS 32 2HG LYS 32 10.591 -0.025 -4.908 227 1HD LYS 32 1HD LYS 32 10.186 1.203 -4.508 228 2HD LYS 32 2HD LYS 32 10.203 0.135 -3.965 229 1HE LYS 32 1HE LYS 32 11.546 -1.011 -5.368 230 2HE LYS 32 2HE LYS 32 11.665 0.131 -5.599 231 1HZ LYS 32 1HZ LYS 32 11.894 0.113 -5.169 232 2HZ LYS 32 2HZ LYS 32 11.924 0.239 -5.175 233 3HZ LYS 32 3HZ LYS 32 11.902 0.367 -4.195 234 H SER 33 H SER 33 9.625 0.850 -1.491 235 HA SER 33 HA SER 33 11.080 1.244 0.069 236 1HB SER 33 1HB SER 33 11.063 2.717 -2.011 237 2HB SER 33 2HB SER 33 10.620 3.509 -0.905 238 HG SER 33 HG SER 33 11.984 3.510 -0.564 239 H CYS 34 H CYS 34 8.797 0.824 0.897 240 HA CYS 34 HA CYS 34 7.872 2.789 2.547 241 1HB CYS 34 1HB CYS 34 5.628 1.536 2.319 242 2HB CYS 34 2HB CYS 34 5.974 2.509 1.348 243 H ASP 35 H ASP 35 5.989 1.236 3.943 244 HA ASP 35 HA ASP 35 6.645 -1.216 4.562 245 1HB ASP 35 1HB ASP 35 8.663 0.152 5.223 246 2HB ASP 35 2HB ASP 35 7.929 0.240 6.421 247 HD2 ASP 35 HD ASP 35 8.969 -1.355 7.222 248 H CYS 36 H CYS 36 4.377 0.225 4.390 249 HA CYS 36 HA CYS 36 3.333 0.210 7.068 250 1HB CYS 36 1HB CYS 36 3.323 2.401 5.159 251 2HB CYS 36 2HB CYS 36 1.757 2.060 5.819 252 HA PRO 37 HA PRO 37 0.339 -2.326 5.220 253 1HB PRO 37 1HB PRO 37 -1.643 -2.195 7.024 254 2HB PRO 37 2HB PRO 37 -0.236 -3.207 7.201 255 1HG PRO 37 1HG PRO 37 -0.869 -0.670 8.477 256 2HG PRO 37 2HG PRO 37 0.299 -1.910 8.990 257 1HD PRO 37 1HD PRO 37 0.827 0.585 7.796 258 2HD PRO 37 2HD PRO 37 1.998 -0.670 8.151 259 H LEU 38 H LEU 38 -1.211 -2.321 3.695 260 HA LEU 38 HA LEU 38 -2.614 0.178 3.514 261 1HB LEU 38 1HB LEU 38 -2.159 -1.543 1.198 262 2HB LEU 38 2HB LEU 38 -2.295 0.115 1.294 263 HG LEU 38 HG LEU 38 -0.272 -0.451 2.349 264 1HD1 LEU 38 1HD1 LEU 38 0.324 -1.350 1.052 265 2HD1 LEU 38 2HD1 LEU 38 0.117 -1.608 0.790 266 3HD1 LEU 38 3HD1 LEU 38 0.344 -1.451 0.494 267 1HD2 LEU 38 1HD2 LEU 38 0.006 0.916 0.914 268 2HD2 LEU 38 2HD2 LEU 38 -0.098 0.667 0.746 269 3HD2 LEU 38 3HD2 LEU 38 -0.222 0.851 0.783 270 H TYR 39 H TYR 39 -3.892 -1.313 5.148 271 HA TYR 39 HA TYR 39 -6.076 -2.249 3.877 272 1HB TYR 39 1HB TYR 39 -4.554 -3.913 3.773 273 2HB TYR 39 2HB TYR 39 -4.935 -3.971 5.165 274 HD1 TYR 39 1HD TYR 39 -6.100 -4.286 4.993 275 HD2 TYR 39 2HD TYR 39 -6.182 -4.600 4.058 276 HE1 TYR 39 1HE TYR 39 -7.484 -5.410 4.872 277 HE2 TYR 39 2HE TYR 39 -7.565 -5.722 3.941 278 HH TYR 39 HH TYR 39 -8.562 -6.469 4.273 279 HA PRO 40 HA PRO 40 -7.554 -1.367 7.018 280 1HB PRO 40 1HB PRO 40 -9.734 -2.195 6.842 281 2HB PRO 40 2HB PRO 40 -8.958 -0.966 6.182 282 1HG PRO 40 1HG PRO 40 -9.493 -3.172 5.110 283 2HG PRO 40 2HG PRO 40 -9.137 -1.733 4.496 284 1HD PRO 40 1HD PRO 40 -7.700 -3.539 4.479 285 2HD PRO 40 2HD PRO 40 -7.398 -2.043 3.964 286 H GLY 41 H GLY 41 -7.836 -2.754 8.250 287 1HA GLY 41 1HA GLY 41 -8.441 -4.011 9.222 288 2HA GLY 41 2HA GLY 41 -8.140 -4.219 9.199
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