NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
27686 | 2roo | 11044 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 1 1H CYS 1 5.326 -10.312 -0.899 2 H2 CYS 1 2H CYS 1 3.892 -10.981 -0.332 3 H3 CYS 1 3H CYS 1 4.207 -10.943 -1.983 4 HA CYS 1 HA CYS 1 4.115 -8.529 -1.980 5 HB2 CYS 1 2HB CYS 1 1.688 -8.336 -1.501 6 HB3 CYS 1 1HB CYS 1 2.043 -9.794 -2.427 7 H GLY 2 H GLY 2 3.899 -6.585 -0.741 8 HA2 GLY 2 2HA GLY 2 4.725 -6.839 2.052 9 HA3 GLY 2 1HA GLY 2 4.422 -5.325 1.195 10 H SER 3 H SER 3 3.372 -6.856 3.797 11 HA SER 3 HA SER 3 0.454 -6.455 3.326 12 HB2 SER 3 2HB SER 3 2.037 -7.797 5.529 13 HB3 SER 3 1HB SER 3 0.311 -7.476 5.672 14 HG SER 3 HG SER 3 -0.067 -9.062 4.342 15 H LYS 4 H LYS 4 -0.433 -5.645 5.824 16 HA LYS 4 HA LYS 4 -0.013 -2.880 5.868 17 HB2 LYS 4 2HB LYS 4 -1.595 -4.377 7.358 18 HB3 LYS 4 1HB LYS 4 -0.252 -4.340 8.495 19 HG2 LYS 4 2HG LYS 4 -0.283 -1.887 8.498 20 HG3 LYS 4 1HG LYS 4 -1.572 -1.886 7.294 21 HD2 LYS 4 2HD LYS 4 -3.048 -3.083 8.875 22 HD3 LYS 4 1HD LYS 4 -1.764 -3.061 10.084 23 HE2 LYS 4 2HE LYS 4 -3.063 -0.613 8.849 24 HE3 LYS 4 1HE LYS 4 -3.360 -1.225 10.476 25 HZ1 LYS 4 3HZ LYS 4 -0.746 -0.298 9.437 26 HZ2 LYS 4 1HZ LYS 4 -1.741 0.561 10.486 27 HZ3 LYS 4 2HZ LYS 4 -1.032 -0.879 10.989 28 H ARG 5 H ARG 5 1.757 -1.640 6.373 29 HA ARG 5 HA ARG 5 3.911 -1.100 7.153 30 HB2 ARG 5 2HB ARG 5 2.828 -1.879 9.342 31 HB3 ARG 5 1HB ARG 5 3.590 -3.439 9.047 32 HG2 ARG 5 2HG ARG 5 5.667 -1.613 8.653 33 HG3 ARG 5 1HG ARG 5 4.785 -0.955 10.031 34 HD2 ARG 5 2HD ARG 5 6.112 -3.643 9.756 35 HD3 ARG 5 1HD ARG 5 6.306 -2.445 11.034 36 HE ARG 5 HE ARG 5 3.815 -2.996 11.638 37 HH11 ARG 5 1HH2 ARG 5 6.113 -5.204 10.163 38 HH12 ARG 5 2HH2 ARG 5 5.310 -6.621 10.745 39 HH21 ARG 5 2HH1 ARG 5 2.796 -4.869 12.358 40 HH22 ARG 5 1HH1 ARG 5 3.438 -6.433 11.984 41 H ALA 6 H ALA 6 4.615 -1.976 5.008 42 HA ALA 6 HA ALA 6 6.772 -3.823 5.253 43 HB1 ALA 6 1HB ALA 6 4.213 -4.974 4.111 44 HB2 ALA 6 2HB ALA 6 5.112 -5.567 5.505 45 HB3 ALA 6 3HB ALA 6 5.800 -5.704 3.889 46 H TRP 7 H TRP 7 8.095 -3.405 3.606 47 HA TRP 7 HA TRP 7 7.644 -1.491 1.633 48 HB2 TRP 7 2HB TRP 7 9.878 -2.079 2.168 49 HB3 TRP 7 1HB TRP 7 9.599 -3.778 1.788 50 HD1 TRP 7 HD TRP 7 10.251 -0.408 0.177 51 HE1 TRP 7 1HE TRP 7 10.784 -0.754 -2.322 52 HE3 TRP 7 3HE TRP 7 9.168 -5.372 -0.265 53 HZ2 TRP 7 2HZ TRP 7 10.747 -2.869 -4.256 54 HZ3 TRP 7 3HZ TRP 7 9.422 -6.529 -2.441 55 HH2 TRP 7 HH TRP 7 10.210 -5.285 -4.436 56 H CYS 8 H CYS 8 6.886 -1.493 -0.459 57 HA CYS 8 HA CYS 8 6.031 -4.131 -1.625 58 HB2 CYS 8 2HB CYS 8 4.424 -2.357 -2.926 59 HB3 CYS 8 1HB CYS 8 3.933 -3.241 -1.495 60 H LYS 9 H LYS 9 6.072 -4.108 -4.034 61 HA LYS 9 HA LYS 9 8.435 -2.645 -5.017 62 HB2 LYS 9 2HB LYS 9 7.773 -5.113 -5.518 63 HB3 LYS 9 1HB LYS 9 6.641 -4.418 -6.674 64 HG2 LYS 9 2HG LYS 9 8.455 -3.290 -7.844 65 HG3 LYS 9 1HG LYS 9 9.611 -3.843 -6.630 66 HD2 LYS 9 2HD LYS 9 8.852 -6.230 -7.238 67 HD3 LYS 9 1HD LYS 9 8.093 -5.496 -8.649 68 HE2 LYS 9 2HE LYS 9 10.078 -5.187 -9.702 69 HE3 LYS 9 1HE LYS 9 10.881 -4.627 -8.235 70 HZ1 LYS 9 3HZ LYS 9 10.264 -7.445 -8.902 71 HZ2 LYS 9 1HZ LYS 9 11.783 -6.728 -8.983 72 HZ3 LYS 9 2HZ LYS 9 11.021 -6.919 -7.496 73 H GLU 10 H GLU 10 4.958 -2.955 -5.767 74 HA GLU 10 HA GLU 10 5.031 -0.173 -6.926 75 HB2 GLU 10 2HB GLU 10 3.945 -2.614 -8.367 76 HB3 GLU 10 1HB GLU 10 3.746 -0.947 -8.905 77 HG2 GLU 10 2HG GLU 10 6.189 -0.704 -9.093 78 HG3 GLU 10 1HG GLU 10 6.402 -2.362 -8.530 79 H LYS 11 H LYS 11 2.469 -0.073 -7.833 80 HA LYS 11 HA LYS 11 0.892 0.197 -5.470 81 HB2 LYS 11 2HB LYS 11 0.472 1.498 -7.488 82 HB3 LYS 11 1HB LYS 11 0.095 0.032 -8.391 83 HG2 LYS 11 2HG LYS 11 -1.987 1.077 -7.771 84 HG3 LYS 11 1HG LYS 11 -1.807 -0.371 -6.783 85 HD2 LYS 11 2HD LYS 11 -1.233 0.873 -4.856 86 HD3 LYS 11 1HD LYS 11 -0.869 2.323 -5.794 87 HE2 LYS 11 2HE LYS 11 -3.047 2.980 -5.830 88 HE3 LYS 11 1HE LYS 11 -3.628 1.348 -6.156 89 HZ1 LYS 11 3HZ LYS 11 -2.750 2.372 -3.523 90 HZ2 LYS 11 1HZ LYS 11 -4.344 2.121 -3.997 91 HZ3 LYS 11 2HZ LYS 11 -3.300 0.813 -3.833 92 H LYS 12 H LYS 12 0.987 -2.364 -7.955 93 HA LYS 12 HA LYS 12 -1.120 -3.871 -6.602 94 HB2 LYS 12 2HB LYS 12 0.307 -3.960 -9.138 95 HB3 LYS 12 1HB LYS 12 -0.080 -5.539 -8.500 96 HG2 LYS 12 2HG LYS 12 -2.435 -4.021 -8.162 97 HG3 LYS 12 1HG LYS 12 -1.826 -3.570 -9.753 98 HD2 LYS 12 2HD LYS 12 -1.645 -5.981 -10.340 99 HD3 LYS 12 1HD LYS 12 -2.338 -6.392 -8.771 100 HE2 LYS 12 2HE LYS 12 -4.159 -6.418 -10.324 101 HE3 LYS 12 1HE LYS 12 -4.323 -4.926 -9.398 102 HZ1 LYS 12 3HZ LYS 12 -3.064 -5.165 -12.068 103 HZ2 LYS 12 1HZ LYS 12 -4.590 -4.531 -11.759 104 HZ3 LYS 12 2HZ LYS 12 -3.221 -3.743 -11.184 105 H ASP 13 H ASP 13 2.158 -3.468 -6.049 106 HA ASP 13 HA ASP 13 2.768 -6.334 -5.578 107 HB2 ASP 13 2HB ASP 13 4.426 -4.524 -6.257 108 HB3 ASP 13 1HB ASP 13 4.362 -3.989 -4.575 109 H CYS 14 H CYS 14 0.940 -4.157 -3.746 110 HA CYS 14 HA CYS 14 1.961 -5.065 -1.154 111 HB2 CYS 14 2HB CYS 14 -0.281 -3.266 -2.061 112 HB3 CYS 14 1HB CYS 14 -0.151 -3.790 -0.401 113 H CYS 15 H CYS 15 0.846 -6.559 0.191 114 HA CYS 15 HA CYS 15 -0.449 -8.709 -0.986 115 HB2 CYS 15 2HB CYS 15 -0.721 -7.633 1.826 116 HB3 CYS 15 1HB CYS 15 -1.196 -9.232 1.305 117 H CYS 16 H CYS 16 -2.719 -9.394 -0.751 118 HA CYS 16 HA CYS 16 -4.493 -7.532 -1.871 119 HB2 CYS 16 2HB CYS 16 -4.650 -10.251 -0.774 120 HB3 CYS 16 1HB CYS 16 -6.147 -9.350 -0.693 121 H GLY 17 H GLY 17 -5.941 -6.110 -1.057 122 HA2 GLY 17 2HA GLY 17 -7.276 -5.026 0.579 123 HA3 GLY 17 1HA GLY 17 -6.647 -6.139 1.794 124 H TYR 18 H TYR 18 -4.047 -4.982 -0.010 125 HA TYR 18 HA TYR 18 -3.697 -2.652 1.920 126 HB2 TYR 18 2HB TYR 18 -1.593 -4.704 1.180 127 HB3 TYR 18 1HB TYR 18 -1.379 -3.330 2.267 128 HD1 TYR 18 1HD TYR 18 -2.666 -3.222 4.423 129 HD2 TYR 18 2HD TYR 18 -2.693 -6.698 1.902 130 HE1 TYR 18 1HE TYR 18 -3.562 -4.579 6.298 131 HE2 TYR 18 2HE TYR 18 -3.574 -8.056 3.778 132 HH TYR 18 HH TYR 18 -3.609 -7.975 6.246 133 H ASN 19 H ASN 19 -2.697 -0.863 1.045 134 HA ASN 19 HA ASN 19 -2.181 -0.921 -1.898 135 HB2 ASN 19 2HB ASN 19 -2.636 1.437 -1.868 136 HB3 ASN 19 1HB ASN 19 -3.873 0.696 -0.851 137 HD21 ASN 19 1HD2 ASN 19 -2.779 3.483 -0.629 138 HD22 ASN 19 2HD2 ASN 19 -2.145 3.594 0.939 139 H CYS 20 H CYS 20 -0.325 0.579 -2.600 140 HA CYS 20 HA CYS 20 1.975 0.247 -0.706 141 HB2 CYS 20 2HB CYS 20 2.080 -0.716 -3.071 142 HB3 CYS 20 1HB CYS 20 2.115 0.948 -3.645 143 H VAL 21 H VAL 21 2.886 2.011 0.192 144 HA VAL 21 HA VAL 21 2.138 4.696 -0.910 145 HB VAL 21 HB VAL 21 2.085 3.596 1.838 146 HG11 VAL 21 1HG1 VAL 21 3.387 6.260 1.226 147 HG12 VAL 21 2HG1 VAL 21 3.993 4.965 2.257 148 HG13 VAL 21 3HG1 VAL 21 2.611 5.927 2.776 149 HG21 VAL 21 3HG2 VAL 21 0.363 5.296 2.103 150 HG22 VAL 21 1HG2 VAL 21 0.121 4.486 0.555 151 HG23 VAL 21 2HG2 VAL 21 0.864 6.085 0.608 152 H TYR 22 H TYR 22 3.845 5.935 -1.588 153 HA TYR 22 HA TYR 22 6.574 4.830 -1.221 154 HB2 TYR 22 2HB TYR 22 5.925 5.899 -3.335 155 HB3 TYR 22 1HB TYR 22 5.581 7.404 -2.488 156 HD1 TYR 22 2HD TYR 22 8.437 4.950 -2.329 157 HD2 TYR 22 1HD TYR 22 7.189 9.008 -2.994 158 HE1 TYR 22 2HE TYR 22 10.802 5.637 -2.567 159 HE2 TYR 22 1HE TYR 22 9.559 9.693 -3.238 160 HH TYR 22 HH TYR 22 12.044 7.563 -3.750 161 H ALA 23 H ALA 23 7.862 5.293 0.499 162 HA ALA 23 HA ALA 23 7.127 7.603 2.231 163 HB1 ALA 23 1HB ALA 23 7.282 5.603 3.499 164 HB2 ALA 23 2HB ALA 23 8.785 6.467 3.819 165 HB3 ALA 23 3HB ALA 23 8.771 5.113 2.692 166 H TRP 24 H TRP 24 8.151 9.036 0.512 167 HA TRP 24 HA TRP 24 10.895 8.972 -0.138 168 HB2 TRP 24 2HB TRP 24 10.689 11.308 -0.692 169 HB3 TRP 24 1HB TRP 24 9.167 10.526 -1.111 170 HD1 TRP 24 HD TRP 24 7.085 10.915 0.555 171 HE1 TRP 24 1HE TRP 24 6.553 12.880 2.140 172 HE3 TRP 24 3HE TRP 24 11.701 13.076 0.857 173 HZ2 TRP 24 2HZ TRP 24 7.912 15.074 3.378 174 HZ3 TRP 24 3HZ TRP 24 12.056 15.098 2.246 175 HH2 TRP 24 HH TRP 24 10.170 16.098 3.507 176 H TYR 25 H TYR 25 9.243 10.208 2.779 177 HA TYR 25 HA TYR 25 11.499 11.590 3.898 178 HB2 TYR 25 2HB TYR 25 10.350 10.638 6.143 179 HB3 TYR 25 1HB TYR 25 9.644 11.951 5.205 180 HD1 TYR 25 1HD TYR 25 7.724 11.562 3.733 181 HD2 TYR 25 2HD TYR 25 9.380 8.400 6.114 182 HE1 TYR 25 1HE TYR 25 5.682 10.211 3.349 183 HE2 TYR 25 2HE TYR 25 7.338 7.044 5.732 184 HH TYR 25 HH TYR 25 4.536 8.382 4.037 185 H ASN 26 H ASN 26 10.906 8.176 3.555 186 HA ASN 26 HA ASN 26 13.611 7.667 4.677 187 HB2 ASN 26 2HB ASN 26 12.833 5.765 5.982 188 HB3 ASN 26 1HB ASN 26 11.935 7.197 6.481 189 HD21 ASN 26 1HD2 ASN 26 11.616 4.651 3.930 190 HD22 ASN 26 2HD2 ASN 26 9.948 4.435 4.156 191 H GLN 27 H GLN 27 12.380 7.768 1.970 192 HA GLN 27 HA GLN 27 12.300 6.480 0.030 193 HB2 GLN 27 2HB GLN 27 14.586 5.319 1.595 194 HB3 GLN 27 1HB GLN 27 14.159 4.648 0.021 195 HG2 GLN 27 2HG GLN 27 15.764 6.268 -0.536 196 HG3 GLN 27 1HG GLN 27 14.250 7.133 -0.794 197 HE21 GLN 27 1HE2 GLN 27 13.927 9.031 0.417 198 HE22 GLN 27 2HE2 GLN 27 14.928 9.530 1.693 199 H GLN 28 H GLN 28 12.522 3.833 -0.564 200 HA GLN 28 HA GLN 28 11.307 1.829 -0.486 201 HB2 GLN 28 2HB GLN 28 11.544 2.497 2.456 202 HB3 GLN 28 1HB GLN 28 10.811 1.004 1.879 203 HG2 GLN 28 2HG GLN 28 13.371 1.513 0.567 204 HG3 GLN 28 1HG GLN 28 13.543 1.447 2.320 205 HE21 GLN 28 1HE2 GLN 28 13.242 -0.489 -0.492 206 HE22 GLN 28 2HE2 GLN 28 12.945 -1.972 0.280 207 H SER 29 H SER 29 9.127 1.017 -0.286 208 HA SER 29 HA SER 29 7.114 3.148 0.338 209 HB2 SER 29 2HB SER 29 6.855 0.816 -1.583 210 HB3 SER 29 1HB SER 29 5.655 2.072 -1.299 211 HG SER 29 HG SER 29 7.727 3.430 -1.828 212 H SER 30 H SER 30 5.606 2.612 1.916 213 HA SER 30 HA SER 30 5.731 -0.122 2.991 214 HB2 SER 30 2HB SER 30 5.433 0.734 5.106 215 HB3 SER 30 1HB SER 30 6.197 2.126 4.344 216 HG SER 30 HG SER 30 4.122 2.958 3.946 217 H CYS 31 H CYS 31 3.985 -1.410 2.783 218 HA CYS 31 HA CYS 31 1.593 -0.479 1.451 219 HB2 CYS 31 2HB CYS 31 2.182 -3.069 2.904 220 HB3 CYS 31 1HB CYS 31 0.752 -2.782 1.924 221 H GLU 32 H GLU 32 -0.514 -0.249 2.266 222 HA GLU 32 HA GLU 32 -0.865 -0.502 5.232 223 HB2 GLU 32 2HB GLU 32 -0.916 1.709 5.702 224 HB3 GLU 32 1HB GLU 32 -0.197 1.973 4.116 225 HG2 GLU 32 2HG GLU 32 -2.455 2.107 3.130 226 HG3 GLU 32 1HG GLU 32 -3.159 1.891 4.734 227 H ARG 33 H ARG 33 -3.110 -0.725 5.787 228 HA ARG 33 HA ARG 33 -4.694 -2.132 3.967 229 HB2 ARG 33 2HB ARG 33 -6.488 -1.960 5.507 230 HB3 ARG 33 1HB ARG 33 -5.019 -1.940 6.478 231 HG2 ARG 33 2HG ARG 33 -5.292 0.261 7.102 232 HG3 ARG 33 1HG ARG 33 -6.060 0.717 5.585 233 HD2 ARG 33 2HD ARG 33 -8.113 -0.460 6.257 234 HD3 ARG 33 1HD ARG 33 -7.349 -0.929 7.771 235 HE ARG 33 HE ARG 33 -7.108 1.889 7.699 236 HH11 ARG 33 1HH2 ARG 33 -9.623 -0.524 7.438 237 HH12 ARG 33 2HH2 ARG 33 -10.833 0.463 8.188 238 HH21 ARG 33 2HH1 ARG 33 -8.703 3.154 8.688 239 HH22 ARG 33 1HH1 ARG 33 -10.311 2.545 8.897 240 H LYS 34 H LYS 34 -7.200 -1.080 3.926 241 HA LYS 34 HA LYS 34 -8.397 0.978 3.237 242 HB2 LYS 34 2HB LYS 34 -5.964 1.245 1.483 243 HB3 LYS 34 1HB LYS 34 -7.472 2.070 1.118 244 HG2 LYS 34 2HG LYS 34 -7.419 3.047 3.443 245 HG3 LYS 34 1HG LYS 34 -5.802 2.378 3.627 246 HD2 LYS 34 2HD LYS 34 -4.986 3.678 1.747 247 HD3 LYS 34 1HD LYS 34 -6.614 4.259 1.401 248 HE2 LYS 34 2HE LYS 34 -6.686 5.341 3.631 249 HE3 LYS 34 1HE LYS 34 -5.029 4.809 3.925 250 HZ1 LYS 34 3HZ LYS 34 -5.908 6.572 1.714 251 HZ2 LYS 34 1HZ LYS 34 -5.095 7.071 3.099 252 HZ3 LYS 34 2HZ LYS 34 -4.329 6.064 1.991 253 H TRP 35 H TRP 35 -10.081 -0.150 2.512 254 HA TRP 35 HA TRP 35 -9.779 -1.730 -0.010 255 HB2 TRP 35 2HB TRP 35 -11.904 -2.016 2.125 256 HB3 TRP 35 1HB TRP 35 -11.678 -3.053 0.725 257 HD1 TRP 35 HD TRP 35 -8.337 -2.876 1.263 258 HE1 TRP 35 1HE TRP 35 -7.406 -4.508 3.023 259 HE3 TRP 35 3HE TRP 35 -12.641 -4.041 3.763 260 HZ2 TRP 35 2HZ TRP 35 -8.352 -6.097 5.200 261 HZ3 TRP 35 3HZ TRP 35 -12.593 -5.619 5.675 262 HH2 TRP 35 HH TRP 35 -10.456 -6.647 6.396 263 H LYS 36 H LYS 36 -12.513 -0.409 1.704 264 HA LYS 36 HA LYS 36 -13.921 0.431 -0.626 265 HB2 LYS 36 2HB LYS 36 -15.026 0.080 1.549 266 HB3 LYS 36 1HB LYS 36 -14.212 1.420 2.221 267 HG2 LYS 36 2HG LYS 36 -15.328 2.855 0.543 268 HG3 LYS 36 1HG LYS 36 -16.156 1.439 -0.106 269 HD2 LYS 36 2HD LYS 36 -17.277 1.069 2.032 270 HD3 LYS 36 1HD LYS 36 -16.392 2.411 2.756 271 HE2 LYS 36 2HE LYS 36 -18.489 3.345 2.181 272 HE3 LYS 36 1HE LYS 36 -17.417 3.857 0.878 273 HZ1 LYS 36 3HZ LYS 36 -19.228 1.516 0.802 274 HZ2 LYS 36 1HZ LYS 36 -19.490 2.982 0.021 275 HZ3 LYS 36 2HZ LYS 36 -18.205 2.000 -0.441 276 H TYR 37 H TYR 37 -11.578 1.938 1.451 277 HA TYR 37 HA TYR 37 -12.044 4.654 0.377 278 HB2 TYR 37 2HB TYR 37 -9.766 3.463 1.982 279 HB3 TYR 37 1HB TYR 37 -9.931 5.178 1.608 280 HD1 TYR 37 2HD TYR 37 -11.462 2.321 3.410 281 HD2 TYR 37 1HD TYR 37 -11.536 6.564 2.741 282 HE1 TYR 37 2HE TYR 37 -12.998 2.598 5.337 283 HE2 TYR 37 1HE TYR 37 -13.073 6.840 4.668 284 HH TYR 37 HH TYR 37 -14.148 5.831 6.319 285 H LEU 38 H LEU 38 -11.067 2.154 -1.342 286 HA LEU 38 HA LEU 38 -9.095 3.745 -2.826 287 HB2 LEU 38 2HB LEU 38 -8.448 1.458 -1.426 288 HB3 LEU 38 1HB LEU 38 -8.720 0.841 -3.053 289 HG LEU 38 HG LEU 38 -7.119 2.464 -3.965 290 HD11 LEU 38 1HD1 LEU 38 -7.382 3.609 -1.255 291 HD12 LEU 38 2HD1 LEU 38 -6.914 4.388 -2.765 292 HD13 LEU 38 3HD1 LEU 38 -5.716 3.503 -1.826 293 HD21 LEU 38 3HD2 LEU 38 -5.069 1.641 -2.564 294 HD22 LEU 38 1HD2 LEU 38 -6.044 0.447 -3.418 295 HD23 LEU 38 2HD2 LEU 38 -6.262 0.687 -1.685 296 H PHE 39 H PHE 39 -9.205 3.592 -5.083 297 HA PHE 39 HA PHE 39 -11.757 3.165 -6.231 298 HB2 PHE 39 2HB PHE 39 -8.976 3.439 -7.332 299 HB3 PHE 39 1HB PHE 39 -10.276 2.956 -8.420 300 HD1 PHE 39 1HD PHE 39 -10.514 5.227 -5.466 301 HD2 PHE 39 2HD PHE 39 -10.575 4.899 -9.749 302 HE1 PHE 39 1HE PHE 39 -11.246 7.587 -5.635 303 HE2 PHE 39 2HE PHE 39 -11.309 7.262 -9.917 304 HZ PHE 39 HZ PHE 39 -11.644 8.606 -7.860 305 H THR 40 H THR 40 -12.681 1.411 -7.311 306 HA THR 40 HA THR 40 -13.111 -0.903 -7.538 307 HB THR 40 HB THR 40 -11.392 -2.040 -8.906 308 HG1 THR 40 1HG THR 40 -9.599 -0.437 -9.431 309 HG21 THR 40 3HG2 THR 40 -11.231 -0.177 -10.695 310 HG22 THR 40 1HG2 THR 40 -12.161 0.802 -9.560 311 HG23 THR 40 2HG2 THR 40 -12.841 -0.697 -10.196 312 H GLY 41 H GLY 41 -9.779 -1.630 -7.223 313 HA2 GLY 41 2HA GLY 41 -8.767 -2.131 -4.944 314 HA3 GLY 41 1HA GLY 41 -10.306 -2.908 -4.563 315 H GLU 42 H GLU 42 -9.864 -5.072 -4.437 316 HA GLU 42 HA GLU 42 -9.065 -7.173 -5.156 317 HB2 GLU 42 2HB GLU 42 -10.139 -7.687 -7.075 318 HB3 GLU 42 1HB GLU 42 -10.454 -5.971 -7.301 319 HG2 GLU 42 2HG GLU 42 -8.403 -5.717 -8.590 320 HG3 GLU 42 1HG GLU 42 -7.950 -7.392 -8.263 321 H CYS 43 H CYS 43 -6.991 -7.613 -4.709 322 HA CYS 43 HA CYS 43 -4.844 -6.013 -5.957 323 HB2 CYS 43 2HB CYS 43 -3.632 -6.517 -4.087 324 HB3 CYS 43 1HB CYS 43 -5.215 -6.903 -3.438 325 HXT CYS 43 2HT CYS 43 -3.283 -8.633 -7.761 Start of MODEL 2 1 H1 CYS 1 1H CYS 1 5.527 -9.851 -1.034 2 H2 CYS 1 2H CYS 1 4.396 -10.744 -0.165 3 H3 CYS 1 3H CYS 1 4.415 -10.817 -1.844 4 HA CYS 1 HA CYS 1 3.783 -8.487 -1.985 5 HB2 CYS 1 2HB CYS 1 1.498 -8.752 -1.226 6 HB3 CYS 1 1HB CYS 1 2.022 -10.297 -1.872 7 H GLY 2 H GLY 2 3.733 -6.500 -0.938 8 HA2 GLY 2 2HA GLY 2 4.763 -6.350 1.780 9 HA3 GLY 2 1HA GLY 2 4.202 -4.981 0.812 10 H SER 3 H SER 3 3.480 -6.731 3.539 11 HA SER 3 HA SER 3 0.530 -6.430 3.243 12 HB2 SER 3 2HB SER 3 2.253 -7.806 5.319 13 HB3 SER 3 1HB SER 3 0.507 -7.646 5.465 14 HG SER 3 HG SER 3 1.602 -9.588 4.343 15 H LYS 4 H LYS 4 -0.060 -6.026 6.000 16 HA LYS 4 HA LYS 4 0.033 -3.217 6.206 17 HB2 LYS 4 2HB LYS 4 -1.243 -5.066 7.638 18 HB3 LYS 4 1HB LYS 4 0.141 -4.876 8.711 19 HG2 LYS 4 2HG LYS 4 -0.281 -2.499 8.934 20 HG3 LYS 4 1HG LYS 4 -1.561 -2.568 7.725 21 HD2 LYS 4 2HD LYS 4 -2.822 -4.135 9.201 22 HD3 LYS 4 1HD LYS 4 -1.571 -3.938 10.429 23 HE2 LYS 4 2HE LYS 4 -3.166 -1.646 9.254 24 HE3 LYS 4 1HE LYS 4 -3.555 -2.440 10.779 25 HZ1 LYS 4 3HZ LYS 4 -1.002 -1.082 10.147 26 HZ2 LYS 4 1HZ LYS 4 -2.220 -0.466 11.130 27 HZ3 LYS 4 2HZ LYS 4 -1.372 -1.840 11.601 28 H ARG 5 H ARG 5 1.740 -1.880 6.575 29 HA ARG 5 HA ARG 5 3.908 -1.188 7.123 30 HB2 ARG 5 2HB ARG 5 3.551 -3.328 9.251 31 HB3 ARG 5 1HB ARG 5 4.837 -2.123 9.234 32 HG2 ARG 5 2HG ARG 5 3.161 -0.319 9.315 33 HG3 ARG 5 1HG ARG 5 1.867 -1.517 9.326 34 HD2 ARG 5 2HD ARG 5 2.785 -2.456 11.437 35 HD3 ARG 5 1HD ARG 5 4.019 -1.197 11.440 36 HE ARG 5 HE ARG 5 1.119 -0.839 12.071 37 HH11 ARG 5 1HH2 ARG 5 4.213 0.543 11.197 38 HH12 ARG 5 2HH2 ARG 5 3.833 2.114 11.818 39 HH21 ARG 5 2HH1 ARG 5 0.658 1.219 12.883 40 HH22 ARG 5 1HH1 ARG 5 1.821 2.497 12.771 41 H ALA 6 H ALA 6 4.753 -2.013 5.123 42 HA ALA 6 HA ALA 6 6.926 -3.836 5.359 43 HB1 ALA 6 1HB ALA 6 5.925 -5.685 3.892 44 HB2 ALA 6 2HB ALA 6 4.347 -5.012 4.298 45 HB3 ALA 6 3HB ALA 6 5.386 -5.651 5.570 46 H TRP 7 H TRP 7 8.239 -3.540 3.637 47 HA TRP 7 HA TRP 7 7.865 -1.552 1.717 48 HB2 TRP 7 2HB TRP 7 10.064 -2.339 2.096 49 HB3 TRP 7 1HB TRP 7 9.615 -4.004 1.748 50 HD1 TRP 7 HD TRP 7 9.890 -0.608 -0.076 51 HE1 TRP 7 1HE TRP 7 10.511 -1.071 -2.537 52 HE3 TRP 7 3HE TRP 7 9.772 -5.708 -0.063 53 HZ2 TRP 7 2HZ TRP 7 10.909 -3.317 -4.267 54 HZ3 TRP 7 3HZ TRP 7 10.275 -6.985 -2.125 55 HH2 TRP 7 HH TRP 7 10.844 -5.798 -4.226 56 H CYS 8 H CYS 8 7.141 -1.478 -0.394 57 HA CYS 8 HA CYS 8 5.795 -3.931 -1.477 58 HB2 CYS 8 2HB CYS 8 3.846 -2.779 -1.518 59 HB3 CYS 8 1HB CYS 8 4.648 -1.383 -0.804 60 H LYS 9 H LYS 9 6.016 -4.201 -3.777 61 HA LYS 9 HA LYS 9 8.302 -2.678 -4.909 62 HB2 LYS 9 2HB LYS 9 8.400 -5.137 -4.970 63 HB3 LYS 9 1HB LYS 9 6.909 -5.182 -5.911 64 HG2 LYS 9 2HG LYS 9 7.936 -4.351 -7.827 65 HG3 LYS 9 1HG LYS 9 9.199 -3.525 -6.922 66 HD2 LYS 9 2HD LYS 9 9.965 -5.576 -8.202 67 HD3 LYS 9 1HD LYS 9 10.346 -5.593 -6.484 68 HE2 LYS 9 2HE LYS 9 9.426 -7.769 -7.322 69 HE3 LYS 9 1HE LYS 9 8.464 -7.069 -6.026 70 HZ1 LYS 9 3HZ LYS 9 7.887 -6.845 -8.921 71 HZ2 LYS 9 1HZ LYS 9 7.076 -7.837 -7.833 72 HZ3 LYS 9 2HZ LYS 9 6.967 -6.165 -7.689 73 H GLU 10 H GLU 10 4.858 -3.305 -5.387 74 HA GLU 10 HA GLU 10 4.731 -0.899 -7.156 75 HB2 GLU 10 2HB GLU 10 3.849 -3.636 -8.140 76 HB3 GLU 10 1HB GLU 10 3.449 -2.115 -8.925 77 HG2 GLU 10 2HG GLU 10 6.259 -3.157 -8.486 78 HG3 GLU 10 1HG GLU 10 5.376 -3.224 -10.050 79 H LYS 11 H LYS 11 2.265 -0.727 -7.859 80 HA LYS 11 HA LYS 11 0.698 -0.510 -5.480 81 HB2 LYS 11 2HB LYS 11 0.182 0.806 -7.465 82 HB3 LYS 11 1HB LYS 11 -0.096 -0.653 -8.411 83 HG2 LYS 11 2HG LYS 11 -1.894 -1.085 -6.433 84 HG3 LYS 11 1HG LYS 11 -1.860 0.677 -6.398 85 HD2 LYS 11 2HD LYS 11 -2.304 -0.984 -8.901 86 HD3 LYS 11 1HD LYS 11 -3.592 -0.237 -7.959 87 HE2 LYS 11 2HE LYS 11 -2.768 1.975 -8.444 88 HE3 LYS 11 1HE LYS 11 -1.294 1.327 -9.167 89 HZ1 LYS 11 3HZ LYS 11 -4.040 0.915 -10.194 90 HZ2 LYS 11 1HZ LYS 11 -2.897 1.957 -10.853 91 HZ3 LYS 11 2HZ LYS 11 -2.637 0.296 -10.882 92 H LYS 12 H LYS 12 0.621 -2.869 -8.131 93 HA LYS 12 HA LYS 12 -1.351 -4.556 -6.838 94 HB2 LYS 12 2HB LYS 12 -0.943 -4.343 -9.334 95 HB3 LYS 12 1HB LYS 12 0.507 -5.319 -9.095 96 HG2 LYS 12 2HG LYS 12 -1.075 -6.988 -7.885 97 HG3 LYS 12 1HG LYS 12 -2.374 -6.103 -8.682 98 HD2 LYS 12 2HD LYS 12 -0.019 -7.381 -10.101 99 HD3 LYS 12 1HD LYS 12 -1.638 -8.070 -10.090 100 HE2 LYS 12 2HE LYS 12 -0.890 -5.428 -11.301 101 HE3 LYS 12 1HE LYS 12 -1.362 -6.903 -12.140 102 HZ1 LYS 12 3HZ LYS 12 -3.063 -5.380 -10.255 103 HZ2 LYS 12 1HZ LYS 12 -3.212 -5.377 -11.929 104 HZ3 LYS 12 2HZ LYS 12 -3.509 -6.787 -11.062 105 H ASP 13 H ASP 13 2.206 -4.604 -7.072 106 HA ASP 13 HA ASP 13 2.638 -7.237 -6.178 107 HB2 ASP 13 2HB ASP 13 4.198 -4.693 -6.172 108 HB3 ASP 13 1HB ASP 13 4.818 -6.059 -5.275 109 H CYS 14 H CYS 14 1.020 -4.865 -4.508 110 HA CYS 14 HA CYS 14 2.104 -5.627 -1.858 111 HB2 CYS 14 2HB CYS 14 1.435 -3.263 -2.243 112 HB3 CYS 14 1HB CYS 14 -0.220 -3.794 -2.529 113 H CYS 15 H CYS 15 0.859 -6.788 -0.320 114 HA CYS 15 HA CYS 15 -0.762 -8.861 -1.353 115 HB2 CYS 15 2HB CYS 15 0.204 -8.027 1.223 116 HB3 CYS 15 1HB CYS 15 -1.502 -8.447 1.362 117 H CYS 16 H CYS 16 -2.937 -9.099 -1.609 118 HA CYS 16 HA CYS 16 -4.543 -6.850 -2.153 119 HB2 CYS 16 2HB CYS 16 -4.884 -9.709 -2.064 120 HB3 CYS 16 1HB CYS 16 -6.277 -8.944 -1.308 121 H GLY 17 H GLY 17 -5.507 -5.408 -0.848 122 HA2 GLY 17 2HA GLY 17 -6.992 -5.022 1.109 123 HA3 GLY 17 1HA GLY 17 -6.011 -6.179 2.001 124 H TYR 18 H TYR 18 -3.765 -4.662 0.199 125 HA TYR 18 HA TYR 18 -3.471 -2.402 2.213 126 HB2 TYR 18 2HB TYR 18 -1.359 -4.308 1.209 127 HB3 TYR 18 1HB TYR 18 -1.028 -2.884 2.186 128 HD1 TYR 18 2HD TYR 18 -2.279 -2.687 4.432 129 HD2 TYR 18 1HD TYR 18 -1.946 -6.328 2.200 130 HE1 TYR 18 2HE TYR 18 -2.861 -3.981 6.468 131 HE2 TYR 18 1HE TYR 18 -2.524 -7.634 4.236 132 HH TYR 18 HH TYR 18 -3.399 -6.007 7.266 133 H ASN 19 H ASN 19 -2.630 -0.485 1.414 134 HA ASN 19 HA ASN 19 -2.394 -0.306 -1.562 135 HB2 ASN 19 2HB ASN 19 -4.038 1.152 -0.233 136 HB3 ASN 19 1HB ASN 19 -2.619 1.986 0.403 137 HD21 ASN 19 1HD2 ASN 19 -2.819 3.981 -0.718 138 HD22 ASN 19 2HD2 ASN 19 -2.797 4.105 -2.409 139 H CYS 20 H CYS 20 -0.496 0.638 -2.490 140 HA CYS 20 HA CYS 20 1.887 0.545 -0.739 141 HB2 CYS 20 2HB CYS 20 1.792 -0.416 -3.114 142 HB3 CYS 20 1HB CYS 20 1.815 1.255 -3.681 143 H VAL 21 H VAL 21 2.809 2.315 0.126 144 HA VAL 21 HA VAL 21 2.077 4.998 -0.988 145 HB VAL 21 HB VAL 21 2.354 4.224 1.933 146 HG11 VAL 21 1HG1 VAL 21 3.158 6.472 1.622 147 HG12 VAL 21 2HG1 VAL 21 1.517 6.599 2.255 148 HG13 VAL 21 3HG1 VAL 21 1.823 6.861 0.538 149 HG21 VAL 21 3HG2 VAL 21 -0.143 5.214 1.694 150 HG22 VAL 21 1HG2 VAL 21 0.213 3.502 1.465 151 HG23 VAL 21 2HG2 VAL 21 0.046 4.562 0.067 152 H TYR 22 H TYR 22 3.746 6.412 -1.285 153 HA TYR 22 HA TYR 22 6.472 5.405 -1.066 154 HB2 TYR 22 2HB TYR 22 5.937 7.089 -2.716 155 HB3 TYR 22 1HB TYR 22 5.365 8.198 -1.470 156 HD1 TYR 22 2HD TYR 22 8.421 6.213 -2.386 157 HD2 TYR 22 1HD TYR 22 6.834 9.806 -0.640 158 HE1 TYR 22 2HE TYR 22 10.724 7.099 -2.101 159 HE2 TYR 22 1HE TYR 22 9.133 10.686 -0.352 160 HH TYR 22 HH TYR 22 11.781 9.436 -1.912 161 H ALA 23 H ALA 23 8.018 5.750 0.501 162 HA ALA 23 HA ALA 23 7.067 6.602 3.154 163 HB1 ALA 23 1HB ALA 23 9.891 5.830 2.664 164 HB2 ALA 23 2HB ALA 23 8.657 4.594 2.426 165 HB3 ALA 23 3HB ALA 23 8.809 5.388 3.988 166 H TRP 24 H TRP 24 9.873 7.340 3.806 167 HA TRP 24 HA TRP 24 10.515 9.765 2.375 168 HB2 TRP 24 2HB TRP 24 9.917 11.306 4.340 169 HB3 TRP 24 1HB TRP 24 8.584 10.752 3.330 170 HD1 TRP 24 HD TRP 24 10.299 9.913 6.682 171 HE1 TRP 24 1HE TRP 24 8.555 8.827 8.236 172 HE3 TRP 24 3HE TRP 24 6.326 9.636 3.490 173 HZ2 TRP 24 2HZ TRP 24 5.830 7.968 8.146 174 HZ3 TRP 24 3HZ TRP 24 4.167 8.689 4.253 175 HH2 TRP 24 HH TRP 24 3.913 7.855 6.574 176 H TYR 25 H TYR 25 10.725 8.120 5.615 177 HA TYR 25 HA TYR 25 13.520 9.277 5.752 178 HB2 TYR 25 2HB TYR 25 13.538 8.431 8.107 179 HB3 TYR 25 1HB TYR 25 12.334 9.666 7.785 180 HD1 TYR 25 1HD TYR 25 11.270 6.582 6.316 181 HD2 TYR 25 2HD TYR 25 11.555 8.652 10.061 182 HE1 TYR 25 1HE TYR 25 9.520 5.111 7.255 183 HE2 TYR 25 2HE TYR 25 9.803 7.181 11.005 184 HH TYR 25 HH TYR 25 8.325 4.591 9.057 185 H ASN 26 H ASN 26 12.317 6.794 4.249 186 HA ASN 26 HA ASN 26 14.713 5.110 4.761 187 HB2 ASN 26 2HB ASN 26 13.130 3.076 4.405 188 HB3 ASN 26 1HB ASN 26 13.160 3.838 5.992 189 HD21 ASN 26 1HD2 ASN 26 11.633 6.195 4.534 190 HD22 ASN 26 2HD2 ASN 26 10.032 5.660 4.578 191 H GLN 27 H GLN 27 12.959 6.852 2.622 192 HA GLN 27 HA GLN 27 12.697 6.833 0.290 193 HB2 GLN 27 2HB GLN 27 15.371 5.441 0.602 194 HB3 GLN 27 1HB GLN 27 14.766 6.132 -0.904 195 HG2 GLN 27 2HG GLN 27 15.160 7.688 1.670 196 HG3 GLN 27 1HG GLN 27 16.285 7.696 0.310 197 HE21 GLN 27 1HE2 GLN 27 13.790 9.472 1.618 198 HE22 GLN 27 2HE2 GLN 27 13.214 10.226 0.210 199 H GLN 28 H GLN 28 11.461 4.602 1.679 200 HA GLN 28 HA GLN 28 11.587 2.539 -0.492 201 HB2 GLN 28 2HB GLN 28 11.270 2.221 2.496 202 HB3 GLN 28 1HB GLN 28 10.708 0.977 1.384 203 HG2 GLN 28 2HG GLN 28 13.538 2.062 1.443 204 HG3 GLN 28 1HG GLN 28 13.029 0.562 2.216 205 HE21 GLN 28 1HE2 GLN 28 12.478 -1.263 0.824 206 HE22 GLN 28 2HE2 GLN 28 12.864 -1.265 -0.830 207 H SER 29 H SER 29 9.358 1.106 0.159 208 HA SER 29 HA SER 29 7.122 3.102 0.138 209 HB2 SER 29 2HB SER 29 7.215 0.556 -1.505 210 HB3 SER 29 1HB SER 29 5.999 1.823 -1.566 211 HG SER 29 HG SER 29 7.402 2.191 -3.236 212 H SER 30 H SER 30 5.727 2.635 1.813 213 HA SER 30 HA SER 30 5.780 -0.106 2.901 214 HB2 SER 30 2HB SER 30 5.569 0.743 5.039 215 HB3 SER 30 1HB SER 30 6.449 2.061 4.276 216 HG SER 30 HG SER 30 4.509 3.137 3.974 217 H CYS 31 H CYS 31 3.960 -1.272 2.483 218 HA CYS 31 HA CYS 31 1.630 -0.010 1.395 219 HB2 CYS 31 2HB CYS 31 2.527 -2.637 1.563 220 HB3 CYS 31 1HB CYS 31 1.087 -2.624 2.571 221 H GLU 32 H GLU 32 -0.350 0.481 2.299 222 HA GLU 32 HA GLU 32 -0.674 0.016 5.245 223 HB2 GLU 32 2HB GLU 32 -0.360 2.166 5.898 224 HB3 GLU 32 1HB GLU 32 0.448 2.391 4.349 225 HG2 GLU 32 2HG GLU 32 -1.746 3.014 3.337 226 HG3 GLU 32 1HG GLU 32 -2.479 2.877 4.937 227 H ARG 33 H ARG 33 -2.835 -0.341 5.711 228 HA ARG 33 HA ARG 33 -4.701 -0.562 3.550 229 HB2 ARG 33 2HB ARG 33 -4.657 -1.398 6.194 230 HB3 ARG 33 1HB ARG 33 -5.891 -0.143 6.228 231 HG2 ARG 33 2HG ARG 33 -6.410 -1.655 3.882 232 HG3 ARG 33 1HG ARG 33 -6.050 -2.835 5.135 233 HD2 ARG 33 2HD ARG 33 -7.894 -0.619 5.891 234 HD3 ARG 33 1HD ARG 33 -8.509 -1.812 4.763 235 HE ARG 33 HE ARG 33 -7.225 -2.823 7.293 236 HH11 ARG 33 1HH2 ARG 33 -10.034 -2.163 5.304 237 HH12 ARG 33 2HH2 ARG 33 -11.067 -3.245 6.177 238 HH21 ARG 33 2HH1 ARG 33 -8.606 -4.232 8.405 239 HH22 ARG 33 1HH1 ARG 33 -10.261 -4.412 7.928 240 H LYS 34 H LYS 34 -5.353 1.239 2.433 241 HA LYS 34 HA LYS 34 -5.231 3.854 3.527 242 HB2 LYS 34 2HB LYS 34 -6.550 4.486 1.435 243 HB3 LYS 34 1HB LYS 34 -4.991 3.704 1.177 244 HG2 LYS 34 2HG LYS 34 -6.092 1.547 0.836 245 HG3 LYS 34 1HG LYS 34 -7.662 2.268 1.189 246 HD2 LYS 34 2HD LYS 34 -7.418 3.758 -0.758 247 HD3 LYS 34 1HD LYS 34 -5.844 3.043 -1.112 248 HE2 LYS 34 2HE LYS 34 -6.901 0.845 -1.429 249 HE3 LYS 34 1HE LYS 34 -8.475 1.538 -1.038 250 HZ1 LYS 34 3HZ LYS 34 -6.755 2.349 -3.307 251 HZ2 LYS 34 1HZ LYS 34 -8.138 1.400 -3.420 252 HZ3 LYS 34 2HZ LYS 34 -8.257 3.006 -2.934 253 H TRP 35 H TRP 35 -7.595 1.455 3.865 254 HA TRP 35 HA TRP 35 -9.753 1.512 4.815 255 HB2 TRP 35 2HB TRP 35 -9.022 4.292 5.773 256 HB3 TRP 35 1HB TRP 35 -10.133 3.146 6.520 257 HD1 TRP 35 HD TRP 35 -6.536 4.149 6.410 258 HE1 TRP 35 1HE TRP 35 -5.154 2.609 7.950 259 HE3 TRP 35 3HE TRP 35 -10.024 0.566 7.429 260 HZ2 TRP 35 2HZ TRP 35 -5.488 0.176 9.418 261 HZ3 TRP 35 3HZ TRP 35 -9.472 -1.347 8.903 262 HH2 TRP 35 HH TRP 35 -7.209 -1.546 9.899 263 H LYS 36 H LYS 36 -11.489 3.677 5.176 264 HA LYS 36 HA LYS 36 -12.758 5.335 4.084 265 HB2 LYS 36 2HB LYS 36 -10.989 4.685 1.724 266 HB3 LYS 36 1HB LYS 36 -12.322 5.828 1.664 267 HG2 LYS 36 2HG LYS 36 -11.288 7.129 3.493 268 HG3 LYS 36 1HG LYS 36 -9.935 5.999 3.518 269 HD2 LYS 36 2HD LYS 36 -9.372 6.576 1.206 270 HD3 LYS 36 1HD LYS 36 -10.763 7.659 1.120 271 HE2 LYS 36 2HE LYS 36 -9.816 9.028 2.939 272 HE3 LYS 36 1HE LYS 36 -8.426 7.948 3.032 273 HZ1 LYS 36 3HZ LYS 36 -9.222 9.534 0.660 274 HZ2 LYS 36 1HZ LYS 36 -7.945 9.893 1.694 275 HZ3 LYS 36 2HZ LYS 36 -7.896 8.504 0.746 276 H TYR 37 H TYR 37 -12.493 2.063 3.638 277 HA TYR 37 HA TYR 37 -15.157 2.076 2.191 278 HB2 TYR 37 2HB TYR 37 -14.437 -0.050 1.066 279 HB3 TYR 37 1HB TYR 37 -13.538 1.370 0.545 280 HD1 TYR 37 1HD TYR 37 -11.239 1.781 1.399 281 HD2 TYR 37 2HD TYR 37 -13.357 -1.860 2.237 282 HE1 TYR 37 1HE TYR 37 -9.108 0.682 2.024 283 HE2 TYR 37 2HE TYR 37 -11.226 -2.952 2.875 284 HH TYR 37 HH TYR 37 -8.142 -1.164 2.758 285 H LEU 38 H LEU 38 -15.973 1.946 4.424 286 HA LEU 38 HA LEU 38 -15.338 -0.233 6.137 287 HB2 LEU 38 2HB LEU 38 -17.142 2.010 6.138 288 HB3 LEU 38 1HB LEU 38 -18.050 0.566 6.574 289 HG LEU 38 HG LEU 38 -16.607 0.103 8.426 290 HD11 LEU 38 1HD1 LEU 38 -14.400 0.502 8.115 291 HD12 LEU 38 2HD1 LEU 38 -14.743 2.149 8.644 292 HD13 LEU 38 3HD1 LEU 38 -14.705 1.769 6.923 293 HD21 LEU 38 3HD2 LEU 38 -16.954 3.114 8.373 294 HD22 LEU 38 1HD2 LEU 38 -16.912 2.072 9.794 295 HD23 LEU 38 2HD2 LEU 38 -18.273 1.982 8.676 296 H PHE 39 H PHE 39 -16.712 -2.124 6.566 297 HA PHE 39 HA PHE 39 -17.263 -4.141 5.297 298 HB2 PHE 39 2HB PHE 39 -19.207 -2.777 6.715 299 HB3 PHE 39 1HB PHE 39 -19.996 -3.045 5.162 300 HD1 PHE 39 1HD PHE 39 -19.835 -5.446 4.163 301 HD2 PHE 39 2HD PHE 39 -19.097 -4.511 8.289 302 HE1 PHE 39 1HE PHE 39 -20.212 -7.821 4.768 303 HE2 PHE 39 2HE PHE 39 -19.475 -6.884 8.897 304 HZ PHE 39 HZ PHE 39 -20.033 -8.540 7.136 305 H THR 40 H THR 40 -16.169 -3.636 3.258 306 HA THR 40 HA THR 40 -18.038 -3.597 1.019 307 HB THR 40 HB THR 40 -16.181 -1.262 1.543 308 HG1 THR 40 1HG THR 40 -18.798 -0.957 0.722 309 HG21 THR 40 3HG2 THR 40 -16.138 -2.172 -0.873 310 HG22 THR 40 1HG2 THR 40 -16.536 -0.468 -0.663 311 HG23 THR 40 2HG2 THR 40 -17.816 -1.640 -0.967 312 H GLY 41 H GLY 41 -17.034 -4.471 -0.845 313 HA2 GLY 41 2HA GLY 41 -14.740 -6.099 -0.459 314 HA3 GLY 41 1HA GLY 41 -15.411 -5.679 -2.035 315 H GLU 42 H GLU 42 -12.561 -5.883 -1.061 316 HA GLU 42 HA GLU 42 -11.725 -3.178 -2.117 317 HB2 GLU 42 2HB GLU 42 -11.682 -3.272 0.456 318 HB3 GLU 42 1HB GLU 42 -10.358 -4.421 0.273 319 HG2 GLU 42 2HG GLU 42 -9.619 -2.372 -1.448 320 HG3 GLU 42 1HG GLU 42 -10.374 -1.497 -0.120 321 H CYS 43 H CYS 43 -9.526 -3.240 -2.998 322 HA CYS 43 HA CYS 43 -7.763 -4.250 -4.157 323 HB2 CYS 43 2HB CYS 43 -6.642 -5.676 -2.809 324 HB3 CYS 43 1HB CYS 43 -8.059 -5.757 -1.769 325 HXT CYS 43 2HT CYS 43 -9.931 -7.044 -3.827 Start of MODEL 3 1 H1 CYS 1 1H CYS 1 5.590 -9.921 -0.723 2 H2 CYS 1 2H CYS 1 4.360 -10.868 -0.076 3 H3 CYS 1 3H CYS 1 4.527 -10.730 -1.743 4 HA CYS 1 HA CYS 1 3.980 -8.383 -1.642 5 HB2 CYS 1 2HB CYS 1 1.624 -8.662 -1.133 6 HB3 CYS 1 1HB CYS 1 2.183 -10.143 -1.896 7 H GLY 2 H GLY 2 4.161 -6.546 -0.353 8 HA2 GLY 2 2HA GLY 2 4.810 -6.822 2.462 9 HA3 GLY 2 1HA GLY 2 4.511 -5.298 1.619 10 H SER 3 H SER 3 3.438 -6.613 4.223 11 HA SER 3 HA SER 3 0.515 -6.493 3.638 12 HB2 SER 3 2HB SER 3 1.171 -8.436 4.928 13 HB3 SER 3 1HB SER 3 2.099 -7.438 6.044 14 HG SER 3 HG SER 3 0.319 -7.253 7.125 15 H LYS 4 H LYS 4 0.324 -5.788 6.681 16 HA LYS 4 HA LYS 4 -0.090 -2.974 6.336 17 HB2 LYS 4 2HB LYS 4 -0.908 -4.657 8.220 18 HB3 LYS 4 1HB LYS 4 0.567 -4.149 9.033 19 HG2 LYS 4 2HG LYS 4 -1.317 -2.068 7.935 20 HG3 LYS 4 1HG LYS 4 -1.668 -2.834 9.482 21 HD2 LYS 4 2HD LYS 4 0.598 -2.188 10.284 22 HD3 LYS 4 1HD LYS 4 0.872 -1.359 8.750 23 HE2 LYS 4 2HE LYS 4 -1.039 0.125 9.198 24 HE3 LYS 4 1HE LYS 4 -1.323 -0.700 10.730 25 HZ1 LYS 4 3HZ LYS 4 -0.045 1.298 11.078 26 HZ2 LYS 4 1HZ LYS 4 1.137 0.785 9.976 27 HZ3 LYS 4 2HZ LYS 4 0.910 -0.060 11.434 28 H ARG 5 H ARG 5 1.420 -1.344 6.316 29 HA ARG 5 HA ARG 5 3.558 -0.440 6.180 30 HB2 ARG 5 2HB ARG 5 4.730 -0.333 8.355 31 HB3 ARG 5 1HB ARG 5 3.018 0.041 8.514 32 HG2 ARG 5 2HG ARG 5 2.603 -2.282 9.293 33 HG3 ARG 5 1HG ARG 5 4.319 -2.621 9.163 34 HD2 ARG 5 2HD ARG 5 4.863 -1.076 10.876 35 HD3 ARG 5 1HD ARG 5 3.255 -0.350 10.833 36 HE ARG 5 HE ARG 5 2.431 -2.184 12.112 37 HH11 ARG 5 1HH2 ARG 5 5.684 -2.613 11.044 38 HH12 ARG 5 2HH2 ARG 5 5.963 -3.999 12.045 39 HH21 ARG 5 2HH1 ARG 5 2.780 -3.982 13.415 40 HH22 ARG 5 1HH1 ARG 5 4.320 -4.774 13.386 41 H ALA 6 H ALA 6 4.443 -1.682 4.617 42 HA ALA 6 HA ALA 6 6.728 -3.305 5.373 43 HB1 ALA 6 1HB ALA 6 5.233 -5.095 5.758 44 HB2 ALA 6 2HB ALA 6 5.795 -5.373 4.110 45 HB3 ALA 6 3HB ALA 6 4.211 -4.649 4.394 46 H TRP 7 H TRP 7 8.148 -3.402 3.736 47 HA TRP 7 HA TRP 7 8.133 -1.636 1.632 48 HB2 TRP 7 2HB TRP 7 10.228 -2.480 1.947 49 HB3 TRP 7 1HB TRP 7 9.640 -4.113 2.247 50 HD1 TRP 7 HD TRP 7 9.238 -1.850 -0.882 51 HE1 TRP 7 1HE TRP 7 10.047 -3.192 -2.929 52 HE3 TRP 7 3HE TRP 7 10.793 -6.123 1.428 53 HZ2 TRP 7 2HZ TRP 7 11.206 -5.744 -3.505 54 HZ3 TRP 7 3HZ TRP 7 11.744 -7.992 0.110 55 HH2 TRP 7 HH TRP 7 11.952 -7.806 -2.354 56 H CYS 8 H CYS 8 7.260 -1.483 -0.328 57 HA CYS 8 HA CYS 8 5.946 -3.910 -1.545 58 HB2 CYS 8 2HB CYS 8 4.043 -2.720 -1.695 59 HB3 CYS 8 1HB CYS 8 4.801 -1.374 -0.847 60 H LYS 9 H LYS 9 6.184 -4.010 -3.906 61 HA LYS 9 HA LYS 9 8.528 -2.459 -4.915 62 HB2 LYS 9 2HB LYS 9 8.348 -5.034 -5.055 63 HB3 LYS 9 1HB LYS 9 7.164 -4.755 -6.324 64 HG2 LYS 9 2HG LYS 9 8.925 -4.649 -7.753 65 HG3 LYS 9 1HG LYS 9 9.228 -3.057 -7.066 66 HD2 LYS 9 2HD LYS 9 10.338 -5.225 -5.417 67 HD3 LYS 9 1HD LYS 9 11.001 -5.210 -7.044 68 HE2 LYS 9 2HE LYS 9 12.428 -3.779 -5.810 69 HE3 LYS 9 1HE LYS 9 11.367 -2.680 -6.685 70 HZ1 LYS 9 3HZ LYS 9 11.715 -2.942 -3.909 71 HZ2 LYS 9 1HZ LYS 9 10.109 -3.340 -4.286 72 HZ3 LYS 9 2HZ LYS 9 10.742 -1.834 -4.753 73 H GLU 10 H GLU 10 5.109 -2.965 -5.392 74 HA GLU 10 HA GLU 10 5.005 -0.687 -7.291 75 HB2 GLU 10 2HB GLU 10 3.396 -3.177 -7.873 76 HB3 GLU 10 1HB GLU 10 3.778 -1.838 -8.953 77 HG2 GLU 10 2HG GLU 10 6.091 -2.537 -9.106 78 HG3 GLU 10 1HG GLU 10 5.844 -3.772 -7.874 79 H LYS 11 H LYS 11 2.508 -0.328 -7.798 80 HA LYS 11 HA LYS 11 1.217 0.379 -5.352 81 HB2 LYS 11 2HB LYS 11 0.769 1.421 -7.548 82 HB3 LYS 11 1HB LYS 11 0.020 -0.067 -8.096 83 HG2 LYS 11 2HG LYS 11 -1.561 0.219 -6.062 84 HG3 LYS 11 1HG LYS 11 -0.921 1.862 -5.965 85 HD2 LYS 11 2HD LYS 11 -1.553 2.207 -8.362 86 HD3 LYS 11 1HD LYS 11 -2.297 0.609 -8.355 87 HE2 LYS 11 2HE LYS 11 -3.457 1.726 -6.142 88 HE3 LYS 11 1HE LYS 11 -3.280 3.137 -7.184 89 HZ1 LYS 11 3HZ LYS 11 -5.083 2.427 -8.236 90 HZ2 LYS 11 1HZ LYS 11 -5.077 0.942 -7.418 91 HZ3 LYS 11 2HZ LYS 11 -4.162 1.132 -8.837 92 H LYS 12 H LYS 12 0.632 -2.309 -7.621 93 HA LYS 12 HA LYS 12 -1.325 -3.517 -5.797 94 HB2 LYS 12 2HB LYS 12 -1.474 -3.652 -8.327 95 HB3 LYS 12 1HB LYS 12 -0.099 -4.758 -8.272 96 HG2 LYS 12 2HG LYS 12 -1.346 -6.295 -6.832 97 HG3 LYS 12 1HG LYS 12 -2.704 -5.172 -6.776 98 HD2 LYS 12 2HD LYS 12 -3.001 -5.394 -9.211 99 HD3 LYS 12 1HD LYS 12 -1.647 -6.522 -9.278 100 HE2 LYS 12 2HE LYS 12 -2.857 -8.065 -7.773 101 HE3 LYS 12 1HE LYS 12 -4.212 -6.937 -7.708 102 HZ1 LYS 12 3HZ LYS 12 -4.085 -7.141 -10.278 103 HZ2 LYS 12 1HZ LYS 12 -4.864 -8.349 -9.376 104 HZ3 LYS 12 2HZ LYS 12 -3.282 -8.601 -9.945 105 H ASP 13 H ASP 13 2.087 -3.753 -6.404 106 HA ASP 13 HA ASP 13 2.730 -6.357 -5.676 107 HB2 ASP 13 2HB ASP 13 4.283 -4.332 -6.182 108 HB3 ASP 13 1HB ASP 13 4.230 -4.072 -4.435 109 H CYS 14 H CYS 14 1.008 -4.111 -3.750 110 HA CYS 14 HA CYS 14 1.856 -5.248 -1.202 111 HB2 CYS 14 2HB CYS 14 -0.303 -3.309 -2.052 112 HB3 CYS 14 1HB CYS 14 -0.130 -3.873 -0.411 113 H CYS 15 H CYS 15 0.843 -6.966 -0.239 114 HA CYS 15 HA CYS 15 -0.647 -8.832 -1.591 115 HB2 CYS 15 2HB CYS 15 -0.037 -8.293 1.155 116 HB3 CYS 15 1HB CYS 15 -1.725 -8.773 1.052 117 H CYS 16 H CYS 16 -2.833 -9.233 -1.975 118 HA CYS 16 HA CYS 16 -4.490 -7.108 -2.675 119 HB2 CYS 16 2HB CYS 16 -4.747 -9.994 -2.286 120 HB3 CYS 16 1HB CYS 16 -6.244 -9.145 -1.936 121 H GLY 17 H GLY 17 -5.570 -5.611 -1.475 122 HA2 GLY 17 2HA GLY 17 -7.144 -5.058 0.332 123 HA3 GLY 17 1HA GLY 17 -6.401 -6.325 1.308 124 H TYR 18 H TYR 18 -3.911 -4.876 -0.304 125 HA TYR 18 HA TYR 18 -3.546 -2.769 1.856 126 HB2 TYR 18 2HB TYR 18 -1.518 -4.776 0.841 127 HB3 TYR 18 1HB TYR 18 -1.132 -3.414 1.888 128 HD1 TYR 18 2HD TYR 18 -2.859 -6.661 1.649 129 HD2 TYR 18 1HD TYR 18 -1.809 -3.392 4.230 130 HE1 TYR 18 2HE TYR 18 -3.500 -8.015 3.623 131 HE2 TYR 18 1HE TYR 18 -2.447 -4.749 6.205 132 HH TYR 18 HH TYR 18 -3.183 -8.146 5.944 133 H ASN 19 H ASN 19 -2.595 -0.846 1.134 134 HA ASN 19 HA ASN 19 -2.233 -0.623 -1.838 135 HB2 ASN 19 2HB ASN 19 -2.215 1.947 -0.896 136 HB3 ASN 19 1HB ASN 19 -3.684 1.098 -1.369 137 HD21 ASN 19 1HD2 ASN 19 -1.995 2.487 1.312 138 HD22 ASN 19 2HD2 ASN 19 -3.085 2.004 2.516 139 H CYS 20 H CYS 20 -0.347 0.713 -2.612 140 HA CYS 20 HA CYS 20 1.995 0.217 -0.856 141 HB2 CYS 20 2HB CYS 20 2.052 -0.427 -3.286 142 HB3 CYS 20 1HB CYS 20 1.977 1.287 -3.693 143 H VAL 21 H VAL 21 2.485 1.790 0.557 144 HA VAL 21 HA VAL 21 1.800 4.613 -0.012 145 HB VAL 21 HB VAL 21 3.067 3.266 2.396 146 HG11 VAL 21 1HG1 VAL 21 3.389 5.912 1.739 147 HG12 VAL 21 2HG1 VAL 21 3.372 5.297 3.388 148 HG13 VAL 21 3HG1 VAL 21 1.905 5.974 2.684 149 HG21 VAL 21 3HG2 VAL 21 0.620 2.803 1.864 150 HG22 VAL 21 1HG2 VAL 21 0.323 4.521 2.132 151 HG23 VAL 21 2HG2 VAL 21 0.926 3.515 3.448 152 H TYR 22 H TYR 22 3.278 6.117 -0.720 153 HA TYR 22 HA TYR 22 5.995 5.097 -1.326 154 HB2 TYR 22 2HB TYR 22 4.860 6.560 -2.923 155 HB3 TYR 22 1HB TYR 22 4.739 7.829 -1.704 156 HD1 TYR 22 2HD TYR 22 7.620 5.546 -2.489 157 HD2 TYR 22 1HD TYR 22 6.101 9.567 -2.489 158 HE1 TYR 22 2HE TYR 22 9.862 6.391 -3.114 159 HE2 TYR 22 1HE TYR 22 8.345 10.410 -3.119 160 HH TYR 22 HH TYR 22 10.833 8.384 -4.220 161 H ALA 23 H ALA 23 7.703 5.255 0.014 162 HA ALA 23 HA ALA 23 7.515 7.195 2.282 163 HB1 ALA 23 1HB ALA 23 8.003 5.479 3.643 164 HB2 ALA 23 2HB ALA 23 9.487 5.153 2.749 165 HB3 ALA 23 3HB ALA 23 7.974 4.393 2.258 166 H TRP 24 H TRP 24 8.824 8.852 2.101 167 HA TRP 24 HA TRP 24 10.805 9.268 0.167 168 HB2 TRP 24 2HB TRP 24 11.579 11.123 1.646 169 HB3 TRP 24 1HB TRP 24 9.841 11.115 1.361 170 HD1 TRP 24 HD TRP 24 9.994 8.423 3.633 171 HE1 TRP 24 1HE TRP 24 9.722 9.153 6.083 172 HE3 TRP 24 3HE TRP 24 10.960 13.419 3.180 173 HZ2 TRP 24 2HZ TRP 24 9.897 11.534 7.653 174 HZ3 TRP 24 3HZ TRP 24 10.907 14.892 5.171 175 HH2 TRP 24 HH TRP 24 10.376 13.957 7.405 176 H TYR 25 H TYR 25 11.085 7.185 2.924 177 HA TYR 25 HA TYR 25 14.073 7.625 2.978 178 HB2 TYR 25 2HB TYR 25 14.070 6.044 4.875 179 HB3 TYR 25 1HB TYR 25 12.969 7.391 5.147 180 HD1 TYR 25 1HD TYR 25 13.133 3.819 4.090 181 HD2 TYR 25 2HD TYR 25 10.649 7.036 5.477 182 HE1 TYR 25 1HE TYR 25 11.269 2.224 4.454 183 HE2 TYR 25 2HE TYR 25 8.786 5.443 5.840 184 HH TYR 25 HH TYR 25 8.413 2.730 4.527 185 H ASN 26 H ASN 26 15.469 6.324 1.939 186 HA ASN 26 HA ASN 26 16.241 4.611 0.539 187 HB2 ASN 26 2HB ASN 26 14.176 2.926 1.996 188 HB3 ASN 26 1HB ASN 26 15.625 2.352 1.172 189 HD21 ASN 26 1HD2 ASN 26 14.566 2.684 4.213 190 HD22 ASN 26 2HD2 ASN 26 15.991 3.152 5.007 191 H GLN 27 H GLN 27 14.017 6.279 -0.417 192 HA GLN 27 HA GLN 27 12.108 6.149 -1.868 193 HB2 GLN 27 2HB GLN 27 14.648 5.466 -3.053 194 HB3 GLN 27 1HB GLN 27 13.383 4.553 -3.871 195 HG2 GLN 27 2HG GLN 27 13.481 6.593 -5.065 196 HG3 GLN 27 1HG GLN 27 12.103 6.804 -3.989 197 HE21 GLN 27 1HE2 GLN 27 13.029 7.655 -1.625 198 HE22 GLN 27 2HE2 GLN 27 14.050 9.000 -1.762 199 H GLN 28 H GLN 28 11.809 4.267 0.103 200 HA GLN 28 HA GLN 28 10.915 1.782 -1.305 201 HB2 GLN 28 2HB GLN 28 12.581 1.456 0.485 202 HB3 GLN 28 1HB GLN 28 11.544 2.317 1.619 203 HG2 GLN 28 2HG GLN 28 10.286 0.029 0.194 204 HG3 GLN 28 1HG GLN 28 11.539 -0.381 1.366 205 HE21 GLN 28 1HE2 GLN 28 10.555 -0.872 3.323 206 HE22 GLN 28 2HE2 GLN 28 9.267 -0.090 4.012 207 H SER 29 H SER 29 8.820 0.861 -0.422 208 HA SER 29 HA SER 29 7.006 3.040 0.560 209 HB2 SER 29 2HB SER 29 6.574 0.965 -1.584 210 HB3 SER 29 1HB SER 29 5.222 1.730 -0.758 211 HG SER 29 HG SER 29 5.571 3.463 -1.891 212 H SER 30 H SER 30 5.373 2.400 2.013 213 HA SER 30 HA SER 30 5.761 -0.271 3.207 214 HB2 SER 30 2HB SER 30 5.370 0.632 5.285 215 HB3 SER 30 1HB SER 30 5.970 2.080 4.485 216 HG SER 30 HG SER 30 3.595 1.676 5.572 217 H CYS 31 H CYS 31 4.163 -1.714 2.667 218 HA CYS 31 HA CYS 31 1.694 -0.902 1.439 219 HB2 CYS 31 2HB CYS 31 2.530 -3.503 2.735 220 HB3 CYS 31 1HB CYS 31 1.004 -3.294 1.890 221 H GLU 32 H GLU 32 -0.226 -0.251 2.408 222 HA GLU 32 HA GLU 32 -0.688 -1.013 5.243 223 HB2 GLU 32 2HB GLU 32 -0.644 1.861 4.271 224 HB3 GLU 32 1HB GLU 32 -1.183 1.338 5.868 225 HG2 GLU 32 2HG GLU 32 1.052 0.367 6.292 226 HG3 GLU 32 1HG GLU 32 1.584 0.930 4.715 227 H ARG 33 H ARG 33 -2.802 -1.370 5.656 228 HA ARG 33 HA ARG 33 -4.749 -1.222 3.494 229 HB2 ARG 33 2HB ARG 33 -4.993 -3.064 4.959 230 HB3 ARG 33 1HB ARG 33 -4.848 -2.055 6.394 231 HG2 ARG 33 2HG ARG 33 -7.102 -1.320 4.608 232 HG3 ARG 33 1HG ARG 33 -7.240 -2.920 5.329 233 HD2 ARG 33 2HD ARG 33 -6.360 -0.986 7.316 234 HD3 ARG 33 1HD ARG 33 -7.863 -0.468 6.563 235 HE ARG 33 HE ARG 33 -8.710 -2.835 7.148 236 HH11 ARG 33 1HH2 ARG 33 -6.192 -1.208 8.893 237 HH12 ARG 33 2HH2 ARG 33 -6.492 -2.066 10.365 238 HH21 ARG 33 2HH1 ARG 33 -9.097 -3.942 9.085 239 HH22 ARG 33 1HH1 ARG 33 -8.120 -3.599 10.474 240 H LYS 34 H LYS 34 -5.520 0.872 2.960 241 HA LYS 34 HA LYS 34 -7.237 2.235 4.704 242 HB2 LYS 34 2HB LYS 34 -5.736 4.309 5.031 243 HB3 LYS 34 1HB LYS 34 -5.485 2.920 6.079 244 HG2 LYS 34 2HG LYS 34 -3.560 2.216 4.881 245 HG3 LYS 34 1HG LYS 34 -3.936 3.263 3.513 246 HD2 LYS 34 2HD LYS 34 -2.153 4.314 4.766 247 HD3 LYS 34 1HD LYS 34 -3.625 5.246 5.038 248 HE2 LYS 34 2HE LYS 34 -3.560 3.208 7.030 249 HE3 LYS 34 1HE LYS 34 -1.958 3.939 6.983 250 HZ1 LYS 34 3HZ LYS 34 -2.782 6.007 7.491 251 HZ2 LYS 34 1HZ LYS 34 -3.800 5.011 8.413 252 HZ3 LYS 34 2HZ LYS 34 -4.348 5.652 6.937 253 H TRP 35 H TRP 35 -7.260 1.590 1.943 254 HA TRP 35 HA TRP 35 -7.285 4.340 0.739 255 HB2 TRP 35 2HB TRP 35 -6.374 1.714 -0.373 256 HB3 TRP 35 1HB TRP 35 -7.156 2.844 -1.475 257 HD1 TRP 35 HD TRP 35 -4.621 3.392 1.395 258 HE1 TRP 35 1HE TRP 35 -2.678 4.822 0.503 259 HE3 TRP 35 3HE TRP 35 -6.080 3.922 -3.475 260 HZ2 TRP 35 2HZ TRP 35 -1.845 6.028 -1.944 261 HZ3 TRP 35 3HZ TRP 35 -4.685 5.222 -5.062 262 HH2 TRP 35 HH TRP 35 -2.572 6.273 -4.303 263 H LYS 36 H LYS 36 -8.754 3.711 -1.552 264 HA LYS 36 HA LYS 36 -11.430 3.763 -0.552 265 HB2 LYS 36 2HB LYS 36 -10.655 4.648 -2.793 266 HB3 LYS 36 1HB LYS 36 -10.582 2.978 -3.353 267 HG2 LYS 36 2HG LYS 36 -12.975 2.688 -2.822 268 HG3 LYS 36 1HG LYS 36 -13.053 4.357 -2.260 269 HD2 LYS 36 2HD LYS 36 -12.400 5.144 -4.512 270 HD3 LYS 36 1HD LYS 36 -12.343 3.472 -5.075 271 HE2 LYS 36 2HE LYS 36 -14.497 4.058 -5.723 272 HE3 LYS 36 1HE LYS 36 -14.816 3.408 -4.114 273 HZ1 LYS 36 3HZ LYS 36 -14.731 5.636 -3.216 274 HZ2 LYS 36 1HZ LYS 36 -15.884 5.561 -4.457 275 HZ3 LYS 36 2HZ LYS 36 -14.370 6.277 -4.746 276 H TYR 37 H TYR 37 -10.946 1.734 0.887 277 HA TYR 37 HA TYR 37 -11.729 -0.723 -0.723 278 HB2 TYR 37 2HB TYR 37 -9.816 -0.294 1.506 279 HB3 TYR 37 1HB TYR 37 -10.808 -1.747 1.629 280 HD1 TYR 37 1HD TYR 37 -8.615 0.134 -0.753 281 HD2 TYR 37 2HD TYR 37 -10.281 -3.658 0.381 282 HE1 TYR 37 1HE TYR 37 -7.189 -0.997 -2.439 283 HE2 TYR 37 2HE TYR 37 -8.856 -4.790 -1.300 284 HH TYR 37 HH TYR 37 -7.117 -3.049 -3.704 285 H LEU 38 H LEU 38 -13.707 1.083 0.039 286 HA LEU 38 HA LEU 38 -14.871 0.556 2.565 287 HB2 LEU 38 2HB LEU 38 -15.554 2.457 1.119 288 HB3 LEU 38 1HB LEU 38 -16.251 1.317 -0.028 289 HG LEU 38 HG LEU 38 -17.744 0.479 1.824 290 HD11 LEU 38 1HD1 LEU 38 -16.347 2.731 3.266 291 HD12 LEU 38 2HD1 LEU 38 -16.674 1.093 3.832 292 HD13 LEU 38 3HD1 LEU 38 -17.986 2.264 3.714 293 HD21 LEU 38 3HD2 LEU 38 -18.512 2.133 0.147 294 HD22 LEU 38 1HD2 LEU 38 -17.941 3.438 1.185 295 HD23 LEU 38 2HD2 LEU 38 -19.269 2.407 1.717 296 H PHE 39 H PHE 39 -15.277 -0.949 -0.613 297 HA PHE 39 HA PHE 39 -15.757 -3.564 0.361 298 HB2 PHE 39 2HB PHE 39 -17.970 -2.018 0.906 299 HB3 PHE 39 1HB PHE 39 -18.385 -2.643 -0.683 300 HD1 PHE 39 1HD PHE 39 -16.971 -3.809 2.589 301 HD2 PHE 39 2HD PHE 39 -19.407 -4.749 -0.821 302 HE1 PHE 39 1HE PHE 39 -17.581 -5.977 3.625 303 HE2 PHE 39 2HE PHE 39 -20.016 -6.921 0.214 304 HZ PHE 39 HZ PHE 39 -19.102 -7.534 2.438 305 H THR 40 H THR 40 -14.157 -3.025 -1.578 306 HA THR 40 HA THR 40 -15.423 -2.828 -4.205 307 HB THR 40 HB THR 40 -13.236 -2.771 -5.088 308 HG1 THR 40 1HG THR 40 -11.703 -3.469 -3.040 309 HG21 THR 40 3HG2 THR 40 -11.961 -1.291 -3.543 310 HG22 THR 40 1HG2 THR 40 -13.097 -1.698 -2.259 311 HG23 THR 40 2HG2 THR 40 -13.656 -0.822 -3.683 312 H GLY 41 H GLY 41 -15.065 -5.344 -2.042 313 HA2 GLY 41 2HA GLY 41 -15.384 -7.664 -2.300 314 HA3 GLY 41 1HA GLY 41 -15.922 -7.320 -3.948 315 H GLU 42 H GLU 42 -13.216 -8.247 -1.970 316 HA GLU 42 HA GLU 42 -11.069 -8.972 -2.500 317 HB2 GLU 42 2HB GLU 42 -11.024 -10.648 -4.059 318 HB3 GLU 42 1HB GLU 42 -12.768 -10.423 -4.026 319 HG2 GLU 42 2HG GLU 42 -12.637 -8.962 -5.999 320 HG3 GLU 42 1HG GLU 42 -10.880 -9.095 -6.004 321 H CYS 43 H CYS 43 -9.466 -7.552 -2.751 322 HA CYS 43 HA CYS 43 -8.898 -5.231 -3.562 323 HB2 CYS 43 2HB CYS 43 -7.299 -6.356 -5.565 324 HB3 CYS 43 1HB CYS 43 -6.858 -6.166 -3.869 325 HXT CYS 43 2HT CYS 43 -8.747 -6.919 -6.445 Start of MODEL 4 1 H1 CYS 1 1H CYS 1 5.213 -10.094 -1.407 2 H2 CYS 1 2H CYS 1 3.811 -10.876 -0.905 3 H3 CYS 1 3H CYS 1 4.097 -10.633 -2.544 4 HA CYS 1 HA CYS 1 3.932 -8.248 -2.258 5 HB2 CYS 1 2HB CYS 1 1.513 -8.167 -1.743 6 HB3 CYS 1 1HB CYS 1 1.878 -9.508 -2.817 7 H GLY 2 H GLY 2 3.846 -6.458 -0.810 8 HA2 GLY 2 2HA GLY 2 4.716 -6.982 1.898 9 HA3 GLY 2 1HA GLY 2 4.233 -5.406 1.263 10 H SER 3 H SER 3 3.498 -6.984 3.801 11 HA SER 3 HA SER 3 0.527 -7.010 3.441 12 HB2 SER 3 2HB SER 3 2.265 -8.264 5.588 13 HB3 SER 3 1HB SER 3 0.507 -8.334 5.549 14 HG SER 3 HG SER 3 2.400 -9.541 3.860 15 H LYS 4 H LYS 4 0.113 -6.799 6.350 16 HA LYS 4 HA LYS 4 -0.208 -4.011 6.610 17 HB2 LYS 4 2HB LYS 4 -1.165 -5.961 8.054 18 HB3 LYS 4 1HB LYS 4 0.324 -5.813 8.984 19 HG2 LYS 4 2HG LYS 4 -1.063 -3.241 8.477 20 HG3 LYS 4 1HG LYS 4 -1.961 -4.373 9.485 21 HD2 LYS 4 2HD LYS 4 -0.042 -4.597 10.993 22 HD3 LYS 4 1HD LYS 4 0.905 -3.526 9.968 23 HE2 LYS 4 2HE LYS 4 0.080 -2.161 11.751 24 HE3 LYS 4 1HE LYS 4 -0.903 -1.769 10.340 25 HZ1 LYS 4 3HZ LYS 4 -2.202 -3.871 11.473 26 HZ2 LYS 4 1HZ LYS 4 -2.634 -2.238 11.633 27 HZ3 LYS 4 2HZ LYS 4 -1.669 -2.981 12.819 28 H ARG 5 H ARG 5 1.338 -2.479 6.686 29 HA ARG 5 HA ARG 5 3.389 -1.470 6.977 30 HB2 ARG 5 2HB ARG 5 2.559 -2.336 9.436 31 HB3 ARG 5 1HB ARG 5 4.124 -3.131 9.316 32 HG2 ARG 5 2HG ARG 5 4.813 -1.104 10.157 33 HG3 ARG 5 1HG ARG 5 4.856 -0.693 8.448 34 HD2 ARG 5 2HD ARG 5 2.765 0.020 10.507 35 HD3 ARG 5 1HD ARG 5 3.619 1.077 9.400 36 HE ARG 5 HE ARG 5 2.189 -0.614 7.727 37 HH11 ARG 5 1HH2 ARG 5 1.511 1.440 10.405 38 HH12 ARG 5 2HH2 ARG 5 -0.106 1.794 9.898 39 HH21 ARG 5 2HH1 ARG 5 0.071 -0.177 7.053 40 HH22 ARG 5 1HH1 ARG 5 -0.922 0.878 8.002 41 H ALA 6 H ALA 6 4.347 -2.277 5.170 42 HA ALA 6 HA ALA 6 6.700 -3.885 5.510 43 HB1 ALA 6 1HB ALA 6 4.243 -5.332 5.032 44 HB2 ALA 6 2HB ALA 6 5.868 -5.975 5.259 45 HB3 ALA 6 3HB ALA 6 5.316 -5.528 3.645 46 H TRP 7 H TRP 7 8.036 -3.151 4.000 47 HA TRP 7 HA TRP 7 7.595 -1.226 2.130 48 HB2 TRP 7 2HB TRP 7 9.837 -1.714 2.319 49 HB3 TRP 7 1HB TRP 7 9.564 -3.455 2.274 50 HD1 TRP 7 HD TRP 7 8.846 -0.563 -0.204 51 HE1 TRP 7 1HE TRP 7 9.638 -1.303 -2.537 52 HE3 TRP 7 3HE TRP 7 10.634 -5.207 0.917 53 HZ2 TRP 7 2HZ TRP 7 10.871 -3.572 -3.770 54 HZ3 TRP 7 3HZ TRP 7 11.609 -6.639 -0.854 55 HH2 TRP 7 HH TRP 7 11.729 -5.828 -3.194 56 H CYS 8 H CYS 8 6.785 -1.025 0.096 57 HA CYS 8 HA CYS 8 5.595 -3.502 -1.138 58 HB2 CYS 8 2HB CYS 8 3.769 -2.310 -1.731 59 HB3 CYS 8 1HB CYS 8 4.234 -1.215 -0.442 60 H LYS 9 H LYS 9 6.117 -3.940 -3.243 61 HA LYS 9 HA LYS 9 8.431 -2.503 -4.345 62 HB2 LYS 9 2HB LYS 9 8.104 -5.044 -4.238 63 HB3 LYS 9 1HB LYS 9 6.954 -4.845 -5.556 64 HG2 LYS 9 2HG LYS 9 8.590 -4.176 -7.073 65 HG3 LYS 9 1HG LYS 9 9.695 -3.638 -5.810 66 HD2 LYS 9 2HD LYS 9 10.723 -5.650 -5.807 67 HD3 LYS 9 1HD LYS 9 9.199 -6.465 -5.463 68 HE2 LYS 9 2HE LYS 9 10.056 -5.587 -8.230 69 HE3 LYS 9 1HE LYS 9 10.285 -7.216 -7.595 70 HZ1 LYS 9 3HZ LYS 9 7.620 -6.036 -7.401 71 HZ2 LYS 9 1HZ LYS 9 8.072 -7.653 -7.640 72 HZ3 LYS 9 2HZ LYS 9 8.142 -6.552 -8.932 73 H GLU 10 H GLU 10 5.039 -3.076 -5.114 74 HA GLU 10 HA GLU 10 5.019 -0.686 -6.833 75 HB2 GLU 10 2HB GLU 10 3.837 -3.216 -7.970 76 HB3 GLU 10 1HB GLU 10 4.233 -1.718 -8.803 77 HG2 GLU 10 2HG GLU 10 6.646 -2.164 -8.437 78 HG3 GLU 10 1HG GLU 10 6.231 -3.694 -7.662 79 H LYS 11 H LYS 11 2.717 -0.093 -7.361 80 HA LYS 11 HA LYS 11 1.070 -0.255 -5.065 81 HB2 LYS 11 2HB LYS 11 -0.086 1.326 -6.180 82 HB3 LYS 11 1HB LYS 11 1.012 1.097 -7.531 83 HG2 LYS 11 2HG LYS 11 -0.466 -0.674 -8.419 84 HG3 LYS 11 1HG LYS 11 -1.582 -0.409 -7.084 85 HD2 LYS 11 2HD LYS 11 -2.431 1.494 -8.007 86 HD3 LYS 11 1HD LYS 11 -0.848 2.056 -8.548 87 HE2 LYS 11 2HE LYS 11 -2.555 1.404 -10.372 88 HE3 LYS 11 1HE LYS 11 -0.928 0.734 -10.509 89 HZ1 LYS 11 3HZ LYS 11 -3.429 -0.593 -9.823 90 HZ2 LYS 11 1HZ LYS 11 -2.039 -1.116 -9.004 91 HZ3 LYS 11 2HZ LYS 11 -2.094 -1.172 -10.701 92 H LYS 12 H LYS 12 1.291 -2.340 -7.907 93 HA LYS 12 HA LYS 12 -1.042 -3.897 -7.039 94 HB2 LYS 12 2HB LYS 12 0.100 -5.403 -8.982 95 HB3 LYS 12 1HB LYS 12 -1.054 -4.127 -9.311 96 HG2 LYS 12 2HG LYS 12 1.808 -3.305 -9.090 97 HG3 LYS 12 1HG LYS 12 1.394 -4.295 -10.481 98 HD2 LYS 12 2HD LYS 12 -0.665 -2.416 -10.428 99 HD3 LYS 12 1HD LYS 12 0.752 -1.485 -9.950 100 HE2 LYS 12 2HE LYS 12 0.567 -1.431 -12.366 101 HE3 LYS 12 1HE LYS 12 1.969 -2.406 -11.924 102 HZ1 LYS 12 3HZ LYS 12 0.275 -3.296 -13.645 103 HZ2 LYS 12 1HZ LYS 12 -0.645 -3.699 -12.279 104 HZ3 LYS 12 2HZ LYS 12 0.913 -4.348 -12.474 105 H ASP 13 H ASP 13 2.188 -3.730 -6.124 106 HA ASP 13 HA ASP 13 2.476 -6.643 -5.732 107 HB2 ASP 13 2HB ASP 13 4.256 -4.383 -5.936 108 HB3 ASP 13 1HB ASP 13 4.635 -5.327 -4.501 109 H CYS 14 H CYS 14 0.799 -4.394 -3.993 110 HA CYS 14 HA CYS 14 1.811 -5.220 -1.360 111 HB2 CYS 14 2HB CYS 14 -0.312 -3.323 -2.346 112 HB3 CYS 14 1HB CYS 14 -0.294 -3.844 -0.679 113 H CYS 15 H CYS 15 0.691 -6.707 -0.044 114 HA CYS 15 HA CYS 15 -0.758 -8.754 -1.249 115 HB2 CYS 15 2HB CYS 15 -0.886 -7.778 1.615 116 HB3 CYS 15 1HB CYS 15 -1.395 -9.346 1.048 117 H CYS 16 H CYS 16 -2.993 -9.162 -1.423 118 HA CYS 16 HA CYS 16 -4.652 -7.028 -2.081 119 HB2 CYS 16 2HB CYS 16 -5.016 -9.892 -1.426 120 HB3 CYS 16 1HB CYS 16 -6.453 -8.893 -1.343 121 H GLY 17 H GLY 17 -5.417 -5.421 -0.831 122 HA2 GLY 17 2HA GLY 17 -7.014 -4.913 1.049 123 HA3 GLY 17 1HA GLY 17 -6.057 -6.013 2.039 124 H TYR 18 H TYR 18 -3.661 -4.771 0.362 125 HA TYR 18 HA TYR 18 -3.437 -2.264 2.084 126 HB2 TYR 18 2HB TYR 18 -1.168 -4.103 1.307 127 HB3 TYR 18 1HB TYR 18 -1.124 -2.773 2.460 128 HD1 TYR 18 2HD TYR 18 -2.269 -6.211 1.844 129 HD2 TYR 18 1HD TYR 18 -2.028 -3.026 4.710 130 HE1 TYR 18 2HE TYR 18 -2.848 -7.801 3.647 131 HE2 TYR 18 1HE TYR 18 -2.606 -4.619 6.523 132 HH TYR 18 HH TYR 18 -2.817 -8.082 5.923 133 H ASN 19 H ASN 19 -2.468 -0.470 1.022 134 HA ASN 19 HA ASN 19 -2.014 -0.832 -1.923 135 HB2 ASN 19 2HB ASN 19 -2.278 1.753 -1.877 136 HB3 ASN 19 1HB ASN 19 -3.728 0.765 -1.688 137 HD21 ASN 19 1HD2 ASN 19 -1.454 2.867 0.035 138 HD22 ASN 19 2HD2 ASN 19 -2.388 3.015 1.443 139 H CYS 20 H CYS 20 -0.360 0.996 -2.742 140 HA CYS 20 HA CYS 20 2.091 0.594 -1.160 141 HB2 CYS 20 2HB CYS 20 1.417 1.384 -3.935 142 HB3 CYS 20 1HB CYS 20 2.913 1.982 -3.298 143 H VAL 21 H VAL 21 3.117 2.184 -0.063 144 HA VAL 21 HA VAL 21 2.091 4.988 -0.312 145 HB VAL 21 HB VAL 21 3.017 3.506 2.172 146 HG11 VAL 21 1HG1 VAL 21 2.006 5.912 3.024 147 HG12 VAL 21 2HG1 VAL 21 2.791 6.387 1.520 148 HG13 VAL 21 3HG1 VAL 21 3.723 5.591 2.786 149 HG21 VAL 21 3HG2 VAL 21 0.351 4.500 1.157 150 HG22 VAL 21 1HG2 VAL 21 0.632 4.257 2.880 151 HG23 VAL 21 2HG2 VAL 21 0.767 2.899 1.766 152 H TYR 22 H TYR 22 3.730 5.826 -1.623 153 HA TYR 22 HA TYR 22 6.491 4.941 -1.307 154 HB2 TYR 22 2HB TYR 22 5.377 6.157 -3.313 155 HB3 TYR 22 1HB TYR 22 5.712 7.635 -2.410 156 HD1 TYR 22 1HD TYR 22 7.245 4.658 -3.999 157 HD2 TYR 22 2HD TYR 22 7.952 8.480 -2.169 158 HE1 TYR 22 1HE TYR 22 9.599 4.586 -4.766 159 HE2 TYR 22 2HE TYR 22 10.311 8.406 -2.937 160 HH TYR 22 HH TYR 22 11.985 6.441 -3.562 161 H ALA 23 H ALA 23 7.941 5.510 0.245 162 HA ALA 23 HA ALA 23 7.175 7.635 2.152 163 HB1 ALA 23 1HB ALA 23 8.314 5.259 2.629 164 HB2 ALA 23 2HB ALA 23 8.660 6.664 3.634 165 HB3 ALA 23 3HB ALA 23 9.786 6.192 2.367 166 H TRP 24 H TRP 24 7.571 9.622 1.203 167 HA TRP 24 HA TRP 24 9.588 10.264 -0.627 168 HB2 TRP 24 2HB TRP 24 9.434 12.588 0.830 169 HB3 TRP 24 1HB TRP 24 8.280 12.119 -0.418 170 HD1 TRP 24 HD TRP 24 8.717 11.030 3.266 171 HE1 TRP 24 1HE TRP 24 6.423 11.191 4.425 172 HE3 TRP 24 3HE TRP 24 5.902 12.788 -0.609 173 HZ2 TRP 24 2HZ TRP 24 3.744 11.961 3.790 174 HZ3 TRP 24 3HZ TRP 24 3.481 13.223 -0.307 175 HH2 TRP 24 HH TRP 24 2.399 12.812 1.886 176 H TYR 25 H TYR 25 9.798 9.716 2.857 177 HA TYR 25 HA TYR 25 12.687 10.602 2.762 178 HB2 TYR 25 2HB TYR 25 12.464 9.975 5.315 179 HB3 TYR 25 1HB TYR 25 11.822 11.497 4.720 180 HD1 TYR 25 1HD TYR 25 10.625 7.919 4.925 181 HD2 TYR 25 2HD TYR 25 9.751 12.076 5.574 182 HE1 TYR 25 1HE TYR 25 8.400 7.307 5.825 183 HE2 TYR 25 2HE TYR 25 7.521 11.465 6.469 184 HH TYR 25 HH TYR 25 6.298 8.187 6.298 185 H ASN 26 H ASN 26 14.377 9.115 3.340 186 HA ASN 26 HA ASN 26 15.403 7.018 3.129 187 HB2 ASN 26 2HB ASN 26 14.815 5.537 4.786 188 HB3 ASN 26 1HB ASN 26 13.899 6.937 5.341 189 HD21 ASN 26 1HD2 ASN 26 11.687 6.684 5.523 190 HD22 ASN 26 2HD2 ASN 26 10.817 5.389 4.875 191 H GLN 27 H GLN 27 13.036 7.913 1.270 192 HA GLN 27 HA GLN 27 11.822 6.995 -0.534 193 HB2 GLN 27 2HB GLN 27 14.339 5.299 -0.638 194 HB3 GLN 27 1HB GLN 27 13.225 5.582 -1.978 195 HG2 GLN 27 2HG GLN 27 14.735 7.770 -0.519 196 HG3 GLN 27 1HG GLN 27 15.239 7.069 -2.057 197 HE21 GLN 27 1HE2 GLN 27 13.836 9.788 -0.976 198 HE22 GLN 27 2HE2 GLN 27 12.732 10.100 -2.228 199 H GLN 28 H GLN 28 12.208 4.162 -1.421 200 HA GLN 28 HA GLN 28 11.195 2.083 -1.033 201 HB2 GLN 28 2HB GLN 28 11.805 2.863 1.834 202 HB3 GLN 28 1HB GLN 28 11.242 1.271 1.339 203 HG2 GLN 28 2HG GLN 28 13.207 0.982 -0.087 204 HG3 GLN 28 1HG GLN 28 13.757 2.612 0.308 205 HE21 GLN 28 1HE2 GLN 28 15.045 -0.076 0.917 206 HE22 GLN 28 2HE2 GLN 28 15.277 -0.071 2.598 207 H SER 29 H SER 29 9.091 1.461 -1.009 208 HA SER 29 HA SER 29 7.091 3.361 0.092 209 HB2 SER 29 2HB SER 29 6.924 1.060 -1.860 210 HB3 SER 29 1HB SER 29 5.493 1.864 -1.224 211 HG SER 29 HG SER 29 5.976 2.973 -3.035 212 H SER 30 H SER 30 5.077 2.219 1.059 213 HA SER 30 HA SER 30 5.747 -0.239 2.506 214 HB2 SER 30 2HB SER 30 6.335 1.596 4.035 215 HB3 SER 30 1HB SER 30 4.728 2.286 3.821 216 HG SER 30 HG SER 30 4.600 -0.333 4.478 217 H CYS 31 H CYS 31 4.019 -1.645 2.481 218 HA CYS 31 HA CYS 31 1.577 -0.821 1.165 219 HB2 CYS 31 2HB CYS 31 2.261 -3.358 2.668 220 HB3 CYS 31 1HB CYS 31 0.790 -3.118 1.741 221 H GLU 32 H GLU 32 -0.284 -0.051 2.090 222 HA GLU 32 HA GLU 32 -0.799 -0.592 4.938 223 HB2 GLU 32 2HB GLU 32 -0.365 1.473 5.757 224 HB3 GLU 32 1HB GLU 32 0.545 1.743 4.274 225 HG2 GLU 32 2HG GLU 32 -1.439 2.679 3.197 226 HG3 GLU 32 1HG GLU 32 -2.402 2.346 4.639 227 H ARG 33 H ARG 33 -2.910 -0.954 5.218 228 HA ARG 33 HA ARG 33 -4.798 -0.780 3.063 229 HB2 ARG 33 2HB ARG 33 -5.365 -2.412 4.617 230 HB3 ARG 33 1HB ARG 33 -4.914 -1.412 5.993 231 HG2 ARG 33 2HG ARG 33 -7.261 -0.656 4.253 232 HG3 ARG 33 1HG ARG 33 -7.447 -1.844 5.540 233 HD2 ARG 33 2HD ARG 33 -6.006 0.419 6.585 234 HD3 ARG 33 1HD ARG 33 -7.457 0.994 5.779 235 HE ARG 33 HE ARG 33 -8.746 -0.602 7.240 236 HH11 ARG 33 1HH2 ARG 33 -5.506 0.292 8.082 237 HH12 ARG 33 2HH2 ARG 33 -5.739 0.014 9.773 238 HH21 ARG 33 2HH1 ARG 33 -9.053 -0.943 9.444 239 HH22 ARG 33 1HH1 ARG 33 -7.740 -0.681 10.544 240 H LYS 34 H LYS 34 -6.500 0.726 2.737 241 HA LYS 34 HA LYS 34 -6.399 3.191 4.344 242 HB2 LYS 34 2HB LYS 34 -6.584 2.900 1.367 243 HB3 LYS 34 1HB LYS 34 -7.097 4.372 2.186 244 HG2 LYS 34 2HG LYS 34 -4.848 4.627 3.153 245 HG3 LYS 34 1HG LYS 34 -4.337 3.137 2.355 246 HD2 LYS 34 2HD LYS 34 -4.881 4.131 0.153 247 HD3 LYS 34 1HD LYS 34 -5.348 5.627 0.962 248 HE2 LYS 34 2HE LYS 34 -3.202 6.278 1.278 249 HE3 LYS 34 1HE LYS 34 -2.661 4.653 1.704 250 HZ1 LYS 34 3HZ LYS 34 -3.235 5.648 -1.039 251 HZ2 LYS 34 1HZ LYS 34 -2.759 4.068 -0.649 252 HZ3 LYS 34 2HZ LYS 34 -1.695 5.364 -0.381 253 H TRP 35 H TRP 35 -8.506 2.967 1.679 254 HA TRP 35 HA TRP 35 -10.832 2.547 3.516 255 HB2 TRP 35 2HB TRP 35 -10.966 4.064 0.928 256 HB3 TRP 35 1HB TRP 35 -12.071 4.128 2.292 257 HD1 TRP 35 HD TRP 35 -9.993 4.435 4.615 258 HE1 TRP 35 1HE TRP 35 -8.723 6.651 4.939 259 HE3 TRP 35 3HE TRP 35 -10.441 6.424 -0.071 260 HZ2 TRP 35 2HZ TRP 35 -7.990 8.956 3.424 261 HZ3 TRP 35 3HZ TRP 35 -9.451 8.634 -0.599 262 HH2 TRP 35 HH TRP 35 -8.224 9.901 1.141 263 H LYS 36 H LYS 36 -12.693 1.543 2.535 264 HA LYS 36 HA LYS 36 -12.014 -0.791 1.020 265 HB2 LYS 36 2HB LYS 36 -14.086 -0.195 2.633 266 HB3 LYS 36 1HB LYS 36 -14.864 0.082 1.074 267 HG2 LYS 36 2HG LYS 36 -14.237 -2.168 0.330 268 HG3 LYS 36 1HG LYS 36 -13.366 -2.441 1.841 269 HD2 LYS 36 2HD LYS 36 -15.679 -1.831 2.951 270 HD3 LYS 36 1HD LYS 36 -16.328 -2.271 1.372 271 HE2 LYS 36 2HE LYS 36 -16.334 -4.390 2.198 272 HE3 LYS 36 1HE LYS 36 -14.600 -4.364 1.874 273 HZ1 LYS 36 3HZ LYS 36 -15.640 -4.834 4.273 274 HZ2 LYS 36 1HZ LYS 36 -15.451 -3.151 4.373 275 HZ3 LYS 36 2HZ LYS 36 -14.108 -4.138 4.043 276 H TYR 37 H TYR 37 -12.534 2.405 0.028 277 HA TYR 37 HA TYR 37 -13.928 1.842 -2.475 278 HB2 TYR 37 2HB TYR 37 -11.943 4.082 -2.241 279 HB3 TYR 37 1HB TYR 37 -13.526 4.078 -3.016 280 HD1 TYR 37 2HD TYR 37 -15.073 2.752 -0.710 281 HD2 TYR 37 1HD TYR 37 -12.227 5.961 -0.824 282 HE1 TYR 37 2HE TYR 37 -16.037 3.680 1.377 283 HE2 TYR 37 1HE TYR 37 -13.179 6.889 1.270 284 HH TYR 37 HH TYR 37 -14.501 6.337 3.081 285 H LEU 38 H LEU 38 -10.878 0.976 -1.407 286 HA LEU 38 HA LEU 38 -9.340 1.274 -3.754 287 HB2 LEU 38 2HB LEU 38 -8.310 0.746 -1.581 288 HB3 LEU 38 1HB LEU 38 -9.105 -0.825 -1.581 289 HG LEU 38 HG LEU 38 -7.812 -1.575 -3.469 290 HD11 LEU 38 1HD1 LEU 38 -6.846 1.301 -3.616 291 HD12 LEU 38 2HD1 LEU 38 -7.770 0.427 -4.838 292 HD13 LEU 38 3HD1 LEU 38 -6.105 -0.029 -4.505 293 HD21 LEU 38 3HD2 LEU 38 -6.640 -1.694 -1.327 294 HD22 LEU 38 1HD2 LEU 38 -6.103 -0.024 -1.494 295 HD23 LEU 38 2HD2 LEU 38 -5.479 -1.263 -2.584 296 H PHE 39 H PHE 39 -11.627 -1.160 -2.696 297 HA PHE 39 HA PHE 39 -11.217 -3.231 -4.553 298 HB2 PHE 39 2HB PHE 39 -13.241 -2.441 -2.720 299 HB3 PHE 39 1HB PHE 39 -14.057 -2.660 -4.265 300 HD1 PHE 39 1HD PHE 39 -11.185 -4.399 -2.563 301 HD2 PHE 39 2HD PHE 39 -15.059 -4.769 -4.388 302 HE1 PHE 39 1HE PHE 39 -11.094 -6.857 -2.260 303 HE2 PHE 39 2HE PHE 39 -14.965 -7.228 -4.082 304 HZ PHE 39 HZ PHE 39 -12.984 -8.272 -3.017 305 H THR 40 H THR 40 -13.500 -3.353 -6.223 306 HA THR 40 HA THR 40 -14.513 -2.366 -8.138 307 HB THR 40 HB THR 40 -12.599 -0.041 -7.993 308 HG1 THR 40 1HG THR 40 -14.199 -0.757 -6.045 309 HG21 THR 40 3HG2 THR 40 -14.378 -0.606 -9.866 310 HG22 THR 40 1HG2 THR 40 -14.162 1.053 -9.308 311 HG23 THR 40 2HG2 THR 40 -15.505 0.085 -8.700 312 H GLY 41 H GLY 41 -12.021 -4.040 -7.875 313 HA2 GLY 41 2HA GLY 41 -11.014 -5.126 -9.822 314 HA3 GLY 41 1HA GLY 41 -11.027 -3.572 -10.654 315 H GLU 42 H GLU 42 -10.078 -2.886 -7.566 316 HA GLU 42 HA GLU 42 -7.188 -3.367 -8.193 317 HB2 GLU 42 2HB GLU 42 -8.250 -0.910 -8.357 318 HB3 GLU 42 1HB GLU 42 -7.968 -0.950 -6.620 319 HG2 GLU 42 2HG GLU 42 -5.931 -1.288 -8.834 320 HG3 GLU 42 1HG GLU 42 -5.978 -0.040 -7.589 321 H CYS 43 H CYS 43 -6.296 -4.621 -6.634 322 HA CYS 43 HA CYS 43 -7.656 -5.019 -4.083 323 HB2 CYS 43 2HB CYS 43 -5.593 -6.345 -5.600 324 HB3 CYS 43 1HB CYS 43 -5.007 -6.061 -3.969 325 HXT CYS 43 2HT CYS 43 -5.298 -2.456 -4.786 Start of MODEL 5 1 H1 CYS 1 1H CYS 1 5.492 -10.235 -0.519 2 H2 CYS 1 2H CYS 1 4.070 -10.887 0.099 3 H3 CYS 1 3H CYS 1 4.396 -10.989 -1.547 4 HA CYS 1 HA CYS 1 4.244 -8.588 -1.762 5 HB2 CYS 1 2HB CYS 1 1.812 -8.408 -1.345 6 HB3 CYS 1 1HB CYS 1 2.208 -9.954 -2.092 7 H GLY 2 H GLY 2 4.145 -6.544 -0.703 8 HA2 GLY 2 2HA GLY 2 5.014 -6.473 2.029 9 HA3 GLY 2 1HA GLY 2 4.379 -5.093 1.133 10 H SER 3 H SER 3 3.787 -6.950 3.779 11 HA SER 3 HA SER 3 0.827 -6.867 3.529 12 HB2 SER 3 2HB SER 3 1.590 -8.935 4.437 13 HB3 SER 3 1HB SER 3 2.732 -8.129 5.508 14 HG SER 3 HG SER 3 1.071 -7.447 6.767 15 H LYS 4 H LYS 4 0.187 -6.451 6.242 16 HA LYS 4 HA LYS 4 -0.018 -3.688 6.470 17 HB2 LYS 4 2HB LYS 4 -0.939 -5.595 8.021 18 HB3 LYS 4 1HB LYS 4 0.549 -5.341 8.933 19 HG2 LYS 4 2HG LYS 4 -0.234 -2.769 8.680 20 HG3 LYS 4 1HG LYS 4 -1.812 -3.546 8.609 21 HD2 LYS 4 2HD LYS 4 -1.431 -4.651 10.737 22 HD3 LYS 4 1HD LYS 4 0.227 -4.056 10.791 23 HE2 LYS 4 2HE LYS 4 -1.181 -2.649 12.207 24 HE3 LYS 4 1HE LYS 4 -0.640 -1.721 10.808 25 HZ1 LYS 4 3HZ LYS 4 -2.910 -1.295 10.958 26 HZ2 LYS 4 1HZ LYS 4 -3.299 -2.907 11.312 27 HZ3 LYS 4 2HZ LYS 4 -2.804 -2.478 9.744 28 H ARG 5 H ARG 5 1.534 -2.129 6.560 29 HA ARG 5 HA ARG 5 3.615 -1.109 6.922 30 HB2 ARG 5 2HB ARG 5 3.898 -3.137 9.165 31 HB3 ARG 5 1HB ARG 5 4.690 -1.567 9.042 32 HG2 ARG 5 2HG ARG 5 1.682 -1.834 9.132 33 HG3 ARG 5 1HG ARG 5 2.649 -1.711 10.596 34 HD2 ARG 5 2HD ARG 5 3.583 0.432 9.795 35 HD3 ARG 5 1HD ARG 5 2.598 0.311 8.339 36 HE ARG 5 HE ARG 5 1.353 0.441 11.060 37 HH11 ARG 5 1HH2 ARG 5 1.657 1.471 7.768 38 HH12 ARG 5 2HH2 ARG 5 0.235 2.454 7.817 39 HH21 ARG 5 2HH1 ARG 5 -0.499 1.717 11.118 40 HH22 ARG 5 1HH1 ARG 5 -0.982 2.595 9.704 41 H ALA 6 H ALA 6 4.464 -1.980 4.918 42 HA ALA 6 HA ALA 6 6.842 -3.579 5.237 43 HB1 ALA 6 1HB ALA 6 4.570 -4.994 3.824 44 HB2 ALA 6 2HB ALA 6 5.061 -5.349 5.478 45 HB3 ALA 6 3HB ALA 6 6.181 -5.630 4.148 46 H TRP 7 H TRP 7 8.049 -3.764 3.301 47 HA TRP 7 HA TRP 7 7.909 -1.648 1.481 48 HB2 TRP 7 2HB TRP 7 9.963 -2.835 1.709 49 HB3 TRP 7 1HB TRP 7 9.211 -4.358 1.235 50 HD1 TRP 7 HD TRP 7 9.129 -0.864 -0.435 51 HE1 TRP 7 1HE TRP 7 9.798 -1.147 -2.909 52 HE3 TRP 7 3HE TRP 7 10.107 -5.874 -0.515 53 HZ2 TRP 7 2HZ TRP 7 10.634 -3.224 -4.686 54 HZ3 TRP 7 3HZ TRP 7 10.836 -6.978 -2.609 55 HH2 TRP 7 HH TRP 7 11.101 -5.661 -4.695 56 H CYS 8 H CYS 8 7.402 -1.527 -0.748 57 HA CYS 8 HA CYS 8 5.466 -3.569 -1.795 58 HB2 CYS 8 2HB CYS 8 3.939 -1.885 -1.366 59 HB3 CYS 8 1HB CYS 8 5.149 -0.620 -1.388 60 H LYS 9 H LYS 9 5.912 -4.093 -3.983 61 HA LYS 9 HA LYS 9 8.240 -2.731 -5.213 62 HB2 LYS 9 2HB LYS 9 7.602 -5.337 -5.273 63 HB3 LYS 9 1HB LYS 9 6.663 -4.828 -6.677 64 HG2 LYS 9 2HG LYS 9 9.146 -3.553 -7.015 65 HG3 LYS 9 1HG LYS 9 9.560 -5.154 -6.409 66 HD2 LYS 9 2HD LYS 9 7.702 -4.649 -8.749 67 HD3 LYS 9 1HD LYS 9 9.410 -5.034 -8.908 68 HE2 LYS 9 2HE LYS 9 9.122 -7.223 -8.134 69 HE3 LYS 9 1HE LYS 9 7.611 -6.840 -7.308 70 HZ1 LYS 9 3HZ LYS 9 7.840 -7.946 -9.786 71 HZ2 LYS 9 1HZ LYS 9 7.499 -6.317 -10.120 72 HZ3 LYS 9 2HZ LYS 9 6.442 -7.222 -9.146 73 H GLU 10 H GLU 10 4.834 -3.406 -5.902 74 HA GLU 10 HA GLU 10 4.636 -0.883 -7.449 75 HB2 GLU 10 2HB GLU 10 3.680 -3.592 -8.427 76 HB3 GLU 10 1HB GLU 10 3.260 -2.055 -9.175 77 HG2 GLU 10 2HG GLU 10 5.626 -1.592 -9.618 78 HG3 GLU 10 1HG GLU 10 6.080 -3.101 -8.828 79 H LYS 11 H LYS 11 2.106 -0.670 -7.969 80 HA LYS 11 HA LYS 11 0.811 -0.429 -5.463 81 HB2 LYS 11 2HB LYS 11 0.196 0.785 -7.580 82 HB3 LYS 11 1HB LYS 11 -0.554 -0.705 -8.152 83 HG2 LYS 11 2HG LYS 11 -2.120 -0.697 -6.301 84 HG3 LYS 11 1HG LYS 11 -1.298 0.676 -5.559 85 HD2 LYS 11 2HD LYS 11 -1.835 2.050 -7.561 86 HD3 LYS 11 1HD LYS 11 -2.722 0.684 -8.236 87 HE2 LYS 11 2HE LYS 11 -4.548 1.183 -6.998 88 HE3 LYS 11 1HE LYS 11 -3.592 1.219 -5.514 89 HZ1 LYS 11 3HZ LYS 11 -2.978 3.463 -5.928 90 HZ2 LYS 11 1HZ LYS 11 -4.663 3.367 -6.101 91 HZ3 LYS 11 2HZ LYS 11 -3.672 3.443 -7.480 92 H LYS 12 H LYS 12 0.463 -2.952 -7.968 93 HA LYS 12 HA LYS 12 -1.444 -4.509 -6.441 94 HB2 LYS 12 2HB LYS 12 -0.970 -4.603 -8.980 95 HB3 LYS 12 1HB LYS 12 0.400 -5.628 -8.554 96 HG2 LYS 12 2HG LYS 12 -1.605 -6.788 -7.078 97 HG3 LYS 12 1HG LYS 12 -2.506 -6.229 -8.482 98 HD2 LYS 12 2HD LYS 12 0.077 -7.752 -8.826 99 HD3 LYS 12 1HD LYS 12 -1.442 -8.603 -8.561 100 HE2 LYS 12 2HE LYS 12 -0.698 -8.127 -11.011 101 HE3 LYS 12 1HE LYS 12 -2.379 -7.832 -10.569 102 HZ1 LYS 12 3HZ LYS 12 -1.868 -5.508 -10.250 103 HZ2 LYS 12 1HZ LYS 12 -1.418 -5.985 -11.813 104 HZ3 LYS 12 2HZ LYS 12 -0.231 -5.781 -10.615 105 H ASP 13 H ASP 13 2.075 -4.498 -6.711 106 HA ASP 13 HA ASP 13 2.718 -6.978 -5.610 107 HB2 ASP 13 2HB ASP 13 4.237 -4.999 -6.453 108 HB3 ASP 13 1HB ASP 13 4.291 -4.586 -4.737 109 H CYS 14 H CYS 14 0.912 -4.611 -3.958 110 HA CYS 14 HA CYS 14 1.997 -5.293 -1.324 111 HB2 CYS 14 2HB CYS 14 -0.198 -3.521 -2.355 112 HB3 CYS 14 1HB CYS 14 -0.140 -3.958 -0.663 113 H CYS 15 H CYS 15 0.889 -6.584 0.192 114 HA CYS 15 HA CYS 15 -0.510 -8.811 -0.725 115 HB2 CYS 15 2HB CYS 15 -0.691 -7.429 1.960 116 HB3 CYS 15 1HB CYS 15 -1.118 -9.089 1.630 117 H CYS 16 H CYS 16 -2.663 -9.163 -1.173 118 HA CYS 16 HA CYS 16 -4.376 -7.160 -1.984 119 HB2 CYS 16 2HB CYS 16 -4.589 -9.976 -1.246 120 HB3 CYS 16 1HB CYS 16 -6.069 -9.098 -0.931 121 H GLY 17 H GLY 17 -5.344 -5.523 -0.910 122 HA2 GLY 17 2HA GLY 17 -6.954 -4.892 0.873 123 HA3 GLY 17 1HA GLY 17 -6.045 -5.924 1.973 124 H TYR 18 H TYR 18 -3.629 -4.617 0.223 125 HA TYR 18 HA TYR 18 -3.536 -2.114 1.955 126 HB2 TYR 18 2HB TYR 18 -1.262 -4.007 1.314 127 HB3 TYR 18 1HB TYR 18 -1.109 -2.477 2.177 128 HD1 TYR 18 2HD TYR 18 -2.153 -2.167 4.401 129 HD2 TYR 18 1HD TYR 18 -2.181 -5.974 2.398 130 HE1 TYR 18 2HE TYR 18 -2.744 -3.286 6.531 131 HE2 TYR 18 1HE TYR 18 -2.765 -7.088 4.536 132 HH TYR 18 HH TYR 18 -3.533 -5.229 7.431 133 H ASN 19 H ASN 19 -2.662 -0.246 0.955 134 HA ASN 19 HA ASN 19 -2.310 -0.476 -2.007 135 HB2 ASN 19 2HB ASN 19 -3.995 1.148 -1.195 136 HB3 ASN 19 1HB ASN 19 -2.746 1.969 -0.259 137 HD21 ASN 19 1HD2 ASN 19 -0.956 3.011 -1.519 138 HD22 ASN 19 2HD2 ASN 19 -1.236 3.494 -3.122 139 H CYS 20 H CYS 20 -0.489 0.915 -2.953 140 HA CYS 20 HA CYS 20 1.916 0.581 -1.294 141 HB2 CYS 20 2HB CYS 20 1.346 1.161 -4.188 142 HB3 CYS 20 1HB CYS 20 2.940 1.384 -3.535 143 H VAL 21 H VAL 21 2.919 2.258 -0.289 144 HA VAL 21 HA VAL 21 2.262 5.046 -1.139 145 HB VAL 21 HB VAL 21 1.148 3.966 1.091 146 HG11 VAL 21 1HG1 VAL 21 3.530 3.648 2.002 147 HG12 VAL 21 2HG1 VAL 21 2.380 4.461 3.059 148 HG13 VAL 21 3HG1 VAL 21 3.577 5.402 2.172 149 HG21 VAL 21 3HG2 VAL 21 0.943 6.310 1.925 150 HG22 VAL 21 1HG2 VAL 21 0.613 6.171 0.199 151 HG23 VAL 21 2HG2 VAL 21 2.163 6.805 0.752 152 H TYR 22 H TYR 22 3.919 6.643 -0.460 153 HA TYR 22 HA TYR 22 6.624 5.278 -0.366 154 HB2 TYR 22 2HB TYR 22 6.047 6.895 -2.223 155 HB3 TYR 22 1HB TYR 22 5.982 8.167 -1.003 156 HD1 TYR 22 1HD TYR 22 8.196 5.539 -2.452 157 HD2 TYR 22 2HD TYR 22 7.958 9.198 -0.218 158 HE1 TYR 22 1HE TYR 22 10.662 5.774 -2.573 159 HE2 TYR 22 2HE TYR 22 10.422 9.433 -0.338 160 HH TYR 22 HH TYR 22 12.425 7.634 -0.651 161 H ALA 23 H ALA 23 7.807 5.403 1.488 162 HA ALA 23 HA ALA 23 6.820 7.148 3.679 163 HB1 ALA 23 1HB ALA 23 8.723 5.861 4.928 164 HB2 ALA 23 2HB ALA 23 8.698 4.799 3.520 165 HB3 ALA 23 3HB ALA 23 7.249 4.993 4.506 166 H TRP 24 H TRP 24 7.664 9.180 3.693 167 HA TRP 24 HA TRP 24 9.916 10.062 2.263 168 HB2 TRP 24 2HB TRP 24 9.828 12.075 3.590 169 HB3 TRP 24 1HB TRP 24 8.176 11.532 3.307 170 HD1 TRP 24 HD TRP 24 7.087 10.022 5.377 171 HE1 TRP 24 1HE TRP 24 7.341 10.389 7.917 172 HE3 TRP 24 3HE TRP 24 11.289 12.924 5.434 173 HZ2 TRP 24 2HZ TRP 24 9.093 11.737 9.731 174 HZ3 TRP 24 3HZ TRP 24 12.226 13.738 7.578 175 HH2 TRP 24 HH TRP 24 11.134 13.149 9.724 176 H TYR 25 H TYR 25 10.015 7.787 4.665 177 HA TYR 25 HA TYR 25 12.841 8.650 5.402 178 HB2 TYR 25 2HB TYR 25 12.482 7.371 7.539 179 HB3 TYR 25 1HB TYR 25 11.479 8.813 7.395 180 HD1 TYR 25 1HD TYR 25 11.498 5.116 7.259 181 HD2 TYR 25 2HD TYR 25 9.087 8.661 7.098 182 HE1 TYR 25 1HE TYR 25 9.457 3.738 7.535 183 HE2 TYR 25 2HE TYR 25 7.042 7.286 7.373 184 HH TYR 25 HH TYR 25 6.901 4.087 6.858 185 H ASN 26 H ASN 26 14.398 6.972 5.435 186 HA ASN 26 HA ASN 26 15.385 5.039 4.575 187 HB2 ASN 26 2HB ASN 26 14.639 3.215 5.686 188 HB3 ASN 26 1HB ASN 26 13.402 4.273 6.351 189 HD21 ASN 26 1HD2 ASN 26 11.261 4.261 5.277 190 HD22 ASN 26 2HD2 ASN 26 10.798 2.937 4.328 191 H GLN 27 H GLN 27 13.443 6.770 2.962 192 HA GLN 27 HA GLN 27 12.198 6.612 0.914 193 HB2 GLN 27 2HB GLN 27 14.942 5.549 0.202 194 HB3 GLN 27 1HB GLN 27 13.843 6.435 -0.856 195 HG2 GLN 27 2HG GLN 27 15.106 7.511 1.683 196 HG3 GLN 27 1HG GLN 27 15.573 7.940 0.039 197 HE21 GLN 27 1HE2 GLN 27 13.313 8.610 2.596 198 HE22 GLN 27 2HE2 GLN 27 12.373 9.743 1.749 199 H GLN 28 H GLN 28 10.978 4.588 1.889 200 HA GLN 28 HA GLN 28 11.370 2.348 -0.055 201 HB2 GLN 28 2HB GLN 28 12.233 1.586 2.091 202 HB3 GLN 28 1HB GLN 28 10.761 2.113 2.906 203 HG2 GLN 28 2HG GLN 28 9.447 0.489 1.597 204 HG3 GLN 28 1HG GLN 28 10.913 -0.025 0.760 205 HE21 GLN 28 1HE2 GLN 28 8.906 -1.014 3.169 206 HE22 GLN 28 2HE2 GLN 28 10.012 -1.827 4.167 207 H SER 29 H SER 29 9.379 1.199 -0.562 208 HA SER 29 HA SER 29 6.998 2.946 -0.348 209 HB2 SER 29 2HB SER 29 7.275 0.283 -1.771 210 HB3 SER 29 1HB SER 29 6.010 1.482 -2.004 211 HG SER 29 HG SER 29 8.514 1.340 -3.064 212 H SER 30 H SER 30 5.646 2.594 1.394 213 HA SER 30 HA SER 30 5.729 -0.033 2.700 214 HB2 SER 30 2HB SER 30 6.227 1.755 4.209 215 HB3 SER 30 1HB SER 30 4.831 2.676 3.660 216 HG SER 30 HG SER 30 4.976 0.846 5.589 217 H CYS 31 H CYS 31 4.031 -1.412 2.439 218 HA CYS 31 HA CYS 31 1.689 -0.640 0.953 219 HB2 CYS 31 2HB CYS 31 2.234 -3.076 2.673 220 HB3 CYS 31 1HB CYS 31 0.803 -2.880 1.671 221 H GLU 32 H GLU 32 0.045 0.557 1.736 222 HA GLU 32 HA GLU 32 -0.924 0.105 4.489 223 HB2 GLU 32 2HB GLU 32 -0.381 2.158 5.296 224 HB3 GLU 32 1HB GLU 32 0.766 2.229 3.962 225 HG2 GLU 32 2HG GLU 32 -0.931 3.324 2.552 226 HG3 GLU 32 1HG GLU 32 -2.089 3.236 3.884 227 H ARG 33 H ARG 33 -3.091 -0.229 4.296 228 HA ARG 33 HA ARG 33 -4.432 0.373 1.823 229 HB2 ARG 33 2HB ARG 33 -4.983 -1.494 3.558 230 HB3 ARG 33 1HB ARG 33 -5.900 -0.239 4.379 231 HG2 ARG 33 2HG ARG 33 -7.201 -1.700 2.704 232 HG3 ARG 33 1HG ARG 33 -7.386 0.045 2.544 233 HD2 ARG 33 2HD ARG 33 -6.176 0.129 0.570 234 HD3 ARG 33 1HD ARG 33 -5.204 -1.284 0.975 235 HE ARG 33 HE ARG 33 -7.610 -2.442 0.615 236 HH11 ARG 33 1HH2 ARG 33 -5.994 0.069 -1.123 237 HH12 ARG 33 2HH2 ARG 33 -6.626 -0.410 -2.661 238 HH21 ARG 33 2HH1 ARG 33 -8.418 -3.088 -1.397 239 HH22 ARG 33 1HH1 ARG 33 -7.989 -2.193 -2.814 240 H LYS 34 H LYS 34 -6.526 1.653 1.796 241 HA LYS 34 HA LYS 34 -6.330 4.055 3.484 242 HB2 LYS 34 2HB LYS 34 -7.490 4.893 1.076 243 HB3 LYS 34 1HB LYS 34 -5.858 5.255 1.625 244 HG2 LYS 34 2HG LYS 34 -4.940 3.386 0.464 245 HG3 LYS 34 1HG LYS 34 -6.533 2.691 0.173 246 HD2 LYS 34 2HD LYS 34 -6.618 5.297 -0.945 247 HD3 LYS 34 1HD LYS 34 -5.073 4.608 -1.439 248 HE2 LYS 34 2HE LYS 34 -6.923 4.082 -3.034 249 HE3 LYS 34 1HE LYS 34 -6.187 2.637 -2.339 250 HZ1 LYS 34 3HZ LYS 34 -8.649 2.613 -2.339 251 HZ2 LYS 34 1HZ LYS 34 -8.636 3.934 -1.275 252 HZ3 LYS 34 2HZ LYS 34 -7.972 2.446 -0.791 253 H TRP 35 H TRP 35 -7.965 1.817 4.043 254 HA TRP 35 HA TRP 35 -10.192 1.300 4.530 255 HB2 TRP 35 2HB TRP 35 -11.408 3.889 4.046 256 HB3 TRP 35 1HB TRP 35 -11.174 3.046 5.566 257 HD1 TRP 35 HD TRP 35 -8.372 3.107 6.323 258 HE1 TRP 35 1HE TRP 35 -6.906 5.219 6.458 259 HE3 TRP 35 3HE TRP 35 -11.043 6.222 3.289 260 HZ2 TRP 35 2HZ TRP 35 -6.865 7.880 5.409 261 HZ3 TRP 35 3HZ TRP 35 -10.265 8.537 2.869 262 HH2 TRP 35 HH TRP 35 -8.183 9.370 3.923 263 H LYS 36 H LYS 36 -11.086 3.864 2.351 264 HA LYS 36 HA LYS 36 -12.886 3.404 0.702 265 HB2 LYS 36 2HB LYS 36 -10.036 3.486 -0.108 266 HB3 LYS 36 1HB LYS 36 -11.157 2.927 -1.351 267 HG2 LYS 36 2HG LYS 36 -12.492 4.933 -1.139 268 HG3 LYS 36 1HG LYS 36 -11.554 5.468 0.253 269 HD2 LYS 36 2HD LYS 36 -9.542 5.649 -1.156 270 HD3 LYS 36 1HD LYS 36 -10.467 5.097 -2.554 271 HE2 LYS 36 2HE LYS 36 -11.697 7.073 -2.696 272 HE3 LYS 36 1HE LYS 36 -11.457 7.466 -0.993 273 HZ1 LYS 36 3HZ LYS 36 -9.348 8.246 -1.374 274 HZ2 LYS 36 1HZ LYS 36 -10.133 8.733 -2.795 275 HZ3 LYS 36 2HZ LYS 36 -9.143 7.352 -2.804 276 H TYR 37 H TYR 37 -13.813 1.382 1.589 277 HA TYR 37 HA TYR 37 -12.748 -1.214 1.015 278 HB2 TYR 37 2HB TYR 37 -15.686 -0.492 0.945 279 HB3 TYR 37 1HB TYR 37 -14.975 -2.044 1.380 280 HD1 TYR 37 2HD TYR 37 -12.600 -0.621 2.985 281 HD2 TYR 37 1HD TYR 37 -16.892 -0.330 3.073 282 HE1 TYR 37 2HE TYR 37 -12.503 0.105 5.346 283 HE2 TYR 37 1HE TYR 37 -16.785 0.397 5.441 284 HH TYR 37 HH TYR 37 -15.473 0.917 7.145 285 H LEU 38 H LEU 38 -11.793 -0.856 -1.102 286 HA LEU 38 HA LEU 38 -13.191 -0.319 -3.475 287 HB2 LEU 38 2HB LEU 38 -11.006 -0.371 -4.085 288 HB3 LEU 38 1HB LEU 38 -10.585 -1.280 -2.646 289 HG LEU 38 HG LEU 38 -11.644 -3.301 -4.084 290 HD11 LEU 38 1HD1 LEU 38 -11.739 -2.980 -6.327 291 HD12 LEU 38 2HD1 LEU 38 -10.223 -2.088 -6.350 292 HD13 LEU 38 3HD1 LEU 38 -11.728 -1.254 -5.970 293 HD21 LEU 38 3HD2 LEU 38 -9.437 -3.392 -3.171 294 HD22 LEU 38 1HD2 LEU 38 -8.862 -2.138 -4.273 295 HD23 LEU 38 2HD2 LEU 38 -9.293 -3.733 -4.894 296 H PHE 39 H PHE 39 -13.121 -2.373 -5.223 297 HA PHE 39 HA PHE 39 -14.060 -4.877 -4.138 298 HB2 PHE 39 2HB PHE 39 -16.033 -3.376 -3.799 299 HB3 PHE 39 1HB PHE 39 -16.094 -3.124 -5.541 300 HD1 PHE 39 2HD PHE 39 -15.801 -5.995 -3.127 301 HD2 PHE 39 1HD PHE 39 -17.538 -4.494 -6.760 302 HE1 PHE 39 2HE PHE 39 -17.057 -8.114 -3.403 303 HE2 PHE 39 1HE PHE 39 -18.792 -6.615 -7.035 304 HZ PHE 39 HZ PHE 39 -18.552 -8.426 -5.357 305 H THR 40 H THR 40 -12.657 -5.848 -5.522 306 HA THR 40 HA THR 40 -13.471 -6.191 -8.309 307 HB THR 40 HB THR 40 -11.005 -5.723 -9.038 308 HG1 THR 40 1HG THR 40 -11.077 -4.827 -6.468 309 HG21 THR 40 3HG2 THR 40 -11.547 -3.466 -9.652 310 HG22 THR 40 1HG2 THR 40 -12.689 -3.312 -8.323 311 HG23 THR 40 2HG2 THR 40 -13.054 -4.377 -9.676 312 H GLY 41 H GLY 41 -13.413 -8.408 -8.318 313 HA2 GLY 41 2HA GLY 41 -12.540 -10.584 -8.059 314 HA3 GLY 41 1HA GLY 41 -10.958 -9.843 -7.778 315 H GLU 42 H GLU 42 -10.300 -10.777 -5.832 316 HA GLU 42 HA GLU 42 -11.983 -10.138 -3.469 317 HB2 GLU 42 2HB GLU 42 -12.555 -12.471 -4.157 318 HB3 GLU 42 1HB GLU 42 -10.857 -12.907 -3.964 319 HG2 GLU 42 2HG GLU 42 -10.932 -12.256 -1.597 320 HG3 GLU 42 1HG GLU 42 -12.617 -11.764 -1.776 321 H CYS 43 H CYS 43 -10.406 -8.676 -2.700 322 HA CYS 43 HA CYS 43 -7.657 -9.718 -2.363 323 HB2 CYS 43 2HB CYS 43 -8.890 -7.061 -2.639 324 HB3 CYS 43 1HB CYS 43 -7.657 -7.139 -1.393 325 HXT CYS 43 2HT CYS 43 -9.339 -7.559 -0.479 Start of MODEL 6 1 H1 CYS 1 1H CYS 1 5.312 -10.076 -1.416 2 H2 CYS 1 2H CYS 1 4.014 -10.944 -0.791 3 H3 CYS 1 3H CYS 1 4.180 -10.758 -2.454 4 HA CYS 1 HA CYS 1 3.827 -8.382 -2.261 5 HB2 CYS 1 2HB CYS 1 1.440 -8.583 -1.300 6 HB3 CYS 1 1HB CYS 1 1.803 -9.547 -2.711 7 H GLY 2 H GLY 2 3.896 -6.561 -0.907 8 HA2 GLY 2 2HA GLY 2 4.638 -7.027 1.899 9 HA3 GLY 2 1HA GLY 2 4.531 -5.457 1.102 10 H SER 3 H SER 3 3.276 -6.882 3.636 11 HA SER 3 HA SER 3 0.429 -6.118 3.127 12 HB2 SER 3 2HB SER 3 1.757 -7.858 5.214 13 HB3 SER 3 1HB SER 3 0.099 -7.288 5.397 14 HG SER 3 HG SER 3 -0.112 -8.180 3.140 15 H LYS 4 H LYS 4 -0.265 -5.555 5.858 16 HA LYS 4 HA LYS 4 0.255 -2.835 6.108 17 HB2 LYS 4 2HB LYS 4 -0.897 -4.780 7.793 18 HB3 LYS 4 1HB LYS 4 0.402 -4.084 8.752 19 HG2 LYS 4 2HG LYS 4 -0.535 -1.785 7.956 20 HG3 LYS 4 1HG LYS 4 -1.982 -2.690 7.536 21 HD2 LYS 4 2HD LYS 4 -2.513 -2.125 9.713 22 HD3 LYS 4 1HD LYS 4 -1.687 -3.655 10.040 23 HE2 LYS 4 2HE LYS 4 -0.977 -1.645 11.452 24 HE3 LYS 4 1HE LYS 4 0.311 -2.575 10.686 25 HZ1 LYS 4 3HZ LYS 4 0.306 -0.060 10.521 26 HZ2 LYS 4 1HZ LYS 4 -0.843 -0.250 9.295 27 HZ3 LYS 4 2HZ LYS 4 0.708 -0.927 9.150 28 H ARG 5 H ARG 5 2.087 -1.639 6.573 29 HA ARG 5 HA ARG 5 4.361 -1.237 7.038 30 HB2 ARG 5 2HB ARG 5 3.805 -3.479 9.016 31 HB3 ARG 5 1HB ARG 5 5.238 -2.455 9.036 32 HG2 ARG 5 2HG ARG 5 3.965 -0.505 9.530 33 HG3 ARG 5 1HG ARG 5 2.444 -1.314 9.146 34 HD2 ARG 5 2HD ARG 5 2.740 -1.161 11.584 35 HD3 ARG 5 1HD ARG 5 2.774 -2.841 11.057 36 HE ARG 5 HE ARG 5 5.113 -2.926 11.562 37 HH11 ARG 5 1HH2 ARG 5 3.724 0.216 11.931 38 HH12 ARG 5 2HH2 ARG 5 5.064 0.839 12.833 39 HH21 ARG 5 2HH1 ARG 5 6.853 -2.125 12.748 40 HH22 ARG 5 1HH1 ARG 5 6.832 -0.481 13.294 41 H ALA 6 H ALA 6 4.914 -2.118 4.857 42 HA ALA 6 HA ALA 6 6.900 -4.197 5.010 43 HB1 ALA 6 1HB ALA 6 4.310 -4.994 3.646 44 HB2 ALA 6 2HB ALA 6 4.855 -5.616 5.201 45 HB3 ALA 6 3HB ALA 6 5.781 -5.965 3.744 46 H TRP 7 H TRP 7 8.293 -3.723 3.444 47 HA TRP 7 HA TRP 7 8.057 -1.736 1.520 48 HB2 TRP 7 2HB TRP 7 10.220 -2.573 1.978 49 HB3 TRP 7 1HB TRP 7 9.744 -4.232 1.611 50 HD1 TRP 7 HD TRP 7 10.502 -0.891 -0.085 51 HE1 TRP 7 1HE TRP 7 11.022 -1.330 -2.576 52 HE3 TRP 7 3HE TRP 7 9.410 -5.865 -0.337 53 HZ2 TRP 7 2HZ TRP 7 10.977 -3.519 -4.428 54 HZ3 TRP 7 3HZ TRP 7 9.652 -7.104 -2.468 55 HH2 TRP 7 HH TRP 7 10.432 -5.941 -4.514 56 H CYS 8 H CYS 8 7.078 -1.547 -0.414 57 HA CYS 8 HA CYS 8 6.003 -4.027 -1.719 58 HB2 CYS 8 2HB CYS 8 3.978 -3.032 -1.783 59 HB3 CYS 8 1HB CYS 8 4.624 -1.655 -0.892 60 H LYS 9 H LYS 9 6.155 -4.010 -4.078 61 HA LYS 9 HA LYS 9 8.411 -2.339 -5.038 62 HB2 LYS 9 2HB LYS 9 8.051 -4.968 -5.356 63 HB3 LYS 9 1HB LYS 9 7.112 -4.437 -6.749 64 HG2 LYS 9 2HG LYS 9 9.787 -3.158 -6.406 65 HG3 LYS 9 1HG LYS 9 9.788 -4.861 -6.850 66 HD2 LYS 9 2HD LYS 9 8.559 -4.455 -8.844 67 HD3 LYS 9 1HD LYS 9 8.116 -2.826 -8.331 68 HE2 LYS 9 2HE LYS 9 10.354 -2.030 -8.592 69 HE3 LYS 9 1HE LYS 9 10.991 -3.667 -8.759 70 HZ1 LYS 9 3HZ LYS 9 10.153 -3.873 -10.874 71 HZ2 LYS 9 1HZ LYS 9 10.582 -2.232 -10.855 72 HZ3 LYS 9 2HZ LYS 9 8.957 -2.688 -10.647 73 H GLU 10 H GLU 10 4.982 -2.745 -5.378 74 HA GLU 10 HA GLU 10 4.754 -0.241 -6.818 75 HB2 GLU 10 2HB GLU 10 3.465 -1.396 -8.759 76 HB3 GLU 10 1HB GLU 10 5.223 -1.401 -8.812 77 HG2 GLU 10 2HG GLU 10 5.268 -3.659 -7.851 78 HG3 GLU 10 1HG GLU 10 3.505 -3.658 -7.747 79 H LYS 11 H LYS 11 2.223 -0.355 -7.751 80 HA LYS 11 HA LYS 11 0.612 -0.310 -5.394 81 HB2 LYS 11 2HB LYS 11 0.090 0.875 -7.534 82 HB3 LYS 11 1HB LYS 11 -0.319 -0.679 -8.258 83 HG2 LYS 11 2HG LYS 11 -2.020 -0.996 -6.413 84 HG3 LYS 11 1HG LYS 11 -1.696 0.665 -5.916 85 HD2 LYS 11 2HD LYS 11 -2.505 -0.042 -8.745 86 HD3 LYS 11 1HD LYS 11 -3.690 0.320 -7.493 87 HE2 LYS 11 2HE LYS 11 -2.666 2.534 -7.145 88 HE3 LYS 11 1HE LYS 11 -1.454 2.176 -8.376 89 HZ1 LYS 11 3HZ LYS 11 -3.668 1.653 -9.730 90 HZ2 LYS 11 1HZ LYS 11 -2.949 3.189 -9.699 91 HZ3 LYS 11 2HZ LYS 11 -4.266 2.848 -8.681 92 H LYS 12 H LYS 12 0.905 -2.745 -7.966 93 HA LYS 12 HA LYS 12 -0.981 -4.585 -6.799 94 HB2 LYS 12 2HB LYS 12 -0.523 -4.746 -9.158 95 HB3 LYS 12 1HB LYS 12 1.207 -4.915 -8.870 96 HG2 LYS 12 2HG LYS 12 0.210 -7.093 -9.399 97 HG3 LYS 12 1HG LYS 12 0.801 -7.086 -7.741 98 HD2 LYS 12 2HD LYS 12 -1.427 -6.771 -6.869 99 HD3 LYS 12 1HD LYS 12 -2.079 -6.498 -8.484 100 HE2 LYS 12 2HE LYS 12 -2.630 -8.740 -8.138 101 HE3 LYS 12 1HE LYS 12 -1.079 -8.899 -8.961 102 HZ1 LYS 12 3HZ LYS 12 -1.396 -10.216 -6.839 103 HZ2 LYS 12 1HZ LYS 12 -1.277 -8.738 -6.016 104 HZ3 LYS 12 2HZ LYS 12 0.025 -9.292 -6.957 105 H ASP 13 H ASP 13 2.416 -3.966 -6.282 106 HA ASP 13 HA ASP 13 3.165 -6.497 -5.223 107 HB2 ASP 13 2HB ASP 13 4.634 -4.439 -5.847 108 HB3 ASP 13 1HB ASP 13 4.359 -3.953 -4.174 109 H CYS 14 H CYS 14 1.132 -4.058 -3.736 110 HA CYS 14 HA CYS 14 1.790 -4.997 -1.046 111 HB2 CYS 14 2HB CYS 14 -0.277 -3.100 -2.175 112 HB3 CYS 14 1HB CYS 14 -0.259 -3.573 -0.499 113 H CYS 15 H CYS 15 0.946 -6.828 -0.256 114 HA CYS 15 HA CYS 15 -0.757 -8.565 -1.661 115 HB2 CYS 15 2HB CYS 15 0.617 -8.622 0.775 116 HB3 CYS 15 1HB CYS 15 -1.065 -8.851 1.227 117 H CYS 16 H CYS 16 -2.739 -9.425 -0.244 118 HA CYS 16 HA CYS 16 -5.116 -8.978 -0.358 119 HB2 CYS 16 2HB CYS 16 -3.750 -8.920 1.970 120 HB3 CYS 16 1HB CYS 16 -4.574 -7.382 2.021 121 H GLY 17 H GLY 17 -6.014 -6.682 1.190 122 HA2 GLY 17 2HA GLY 17 -6.330 -4.809 -1.050 123 HA3 GLY 17 1HA GLY 17 -7.246 -4.774 0.455 124 H TYR 18 H TYR 18 -3.762 -5.112 0.374 125 HA TYR 18 HA TYR 18 -3.520 -2.636 2.026 126 HB2 TYR 18 2HB TYR 18 -1.492 -4.604 0.923 127 HB3 TYR 18 1HB TYR 18 -1.075 -3.237 1.944 128 HD1 TYR 18 1HD TYR 18 -1.777 -3.162 4.299 129 HD2 TYR 18 2HD TYR 18 -2.579 -6.559 1.818 130 HE1 TYR 18 1HE TYR 18 -2.266 -4.521 6.310 131 HE2 TYR 18 2HE TYR 18 -3.067 -7.920 3.834 132 HH TYR 18 HH TYR 18 -2.465 -7.878 6.264 133 H ASN 19 H ASN 19 -2.825 -0.633 1.248 134 HA ASN 19 HA ASN 19 -2.371 -0.499 -1.705 135 HB2 ASN 19 2HB ASN 19 -2.969 1.789 -1.588 136 HB3 ASN 19 1HB ASN 19 -4.079 0.991 -0.470 137 HD21 ASN 19 1HD2 ASN 19 -2.880 3.826 -0.451 138 HD22 ASN 19 2HD2 ASN 19 -2.204 3.975 1.097 139 H CYS 20 H CYS 20 -0.504 0.549 -2.555 140 HA CYS 20 HA CYS 20 1.822 0.452 -0.727 141 HB2 CYS 20 2HB CYS 20 1.807 -0.565 -3.071 142 HB3 CYS 20 1HB CYS 20 1.840 1.088 -3.679 143 H VAL 21 H VAL 21 2.652 2.230 0.177 144 HA VAL 21 HA VAL 21 2.004 4.900 -1.028 145 HB VAL 21 HB VAL 21 2.426 4.184 1.894 146 HG11 VAL 21 1HG1 VAL 21 1.568 6.583 2.171 147 HG12 VAL 21 2HG1 VAL 21 1.896 6.790 0.451 148 HG13 VAL 21 3HG1 VAL 21 3.213 6.412 1.561 149 HG21 VAL 21 3HG2 VAL 21 -0.024 5.019 1.966 150 HG22 VAL 21 1HG2 VAL 21 0.266 3.407 1.316 151 HG23 VAL 21 2HG2 VAL 21 -0.023 4.758 0.222 152 H TYR 22 H TYR 22 3.782 6.129 -1.584 153 HA TYR 22 HA TYR 22 6.431 4.864 -1.162 154 HB2 TYR 22 2HB TYR 22 5.568 6.306 -3.175 155 HB3 TYR 22 1HB TYR 22 6.019 7.679 -2.161 156 HD1 TYR 22 2HD TYR 22 7.301 4.554 -3.723 157 HD2 TYR 22 1HD TYR 22 8.309 8.303 -1.885 158 HE1 TYR 22 2HE TYR 22 9.665 4.244 -4.394 159 HE2 TYR 22 1HE TYR 22 10.677 7.993 -2.558 160 HH TYR 22 HH TYR 22 11.649 5.718 -4.837 161 H ALA 23 H ALA 23 7.655 5.169 0.640 162 HA ALA 23 HA ALA 23 6.970 7.417 2.466 163 HB1 ALA 23 1HB ALA 23 8.133 6.187 4.176 164 HB2 ALA 23 2HB ALA 23 8.851 5.100 2.987 165 HB3 ALA 23 3HB ALA 23 7.118 5.031 3.310 166 H TRP 24 H TRP 24 8.045 9.123 1.305 167 HA TRP 24 HA TRP 24 10.658 9.108 0.288 168 HB2 TRP 24 2HB TRP 24 10.476 11.633 1.425 169 HB3 TRP 24 1HB TRP 24 9.862 11.188 -0.164 170 HD1 TRP 24 HD TRP 24 8.702 11.491 3.487 171 HE1 TRP 24 1HE TRP 24 6.155 11.893 3.499 172 HE3 TRP 24 3HE TRP 24 7.710 10.990 -1.496 173 HZ2 TRP 24 2HZ TRP 24 3.984 11.991 1.637 174 HZ3 TRP 24 3HZ TRP 24 5.397 11.244 -2.350 175 HH2 TRP 24 HH TRP 24 3.534 11.744 -0.790 176 H TYR 25 H TYR 25 9.701 8.467 3.466 177 HA TYR 25 HA TYR 25 11.774 9.757 4.990 178 HB2 TYR 25 2HB TYR 25 9.994 7.409 5.324 179 HB3 TYR 25 1HB TYR 25 11.465 7.368 6.294 180 HD1 TYR 25 2HD TYR 25 8.368 9.278 5.581 181 HD2 TYR 25 1HD TYR 25 11.834 8.913 8.092 182 HE1 TYR 25 2HE TYR 25 7.373 10.887 7.186 183 HE2 TYR 25 1HE TYR 25 10.838 10.521 9.700 184 HH TYR 25 HH TYR 25 8.547 11.316 10.318 185 H ASN 26 H ASN 26 11.821 6.566 3.361 186 HA ASN 26 HA ASN 26 14.770 6.795 3.200 187 HB2 ASN 26 2HB ASN 26 14.974 4.406 4.047 188 HB3 ASN 26 1HB ASN 26 14.545 5.602 5.274 189 HD21 ASN 26 1HD2 ASN 26 11.869 5.951 5.080 190 HD22 ASN 26 2HD2 ASN 26 11.026 4.487 5.233 191 H GLN 27 H GLN 27 12.951 7.031 1.097 192 HA GLN 27 HA GLN 27 12.301 6.046 -0.952 193 HB2 GLN 27 2HB GLN 27 15.025 4.800 -0.455 194 HB3 GLN 27 1HB GLN 27 14.176 4.746 -2.001 195 HG2 GLN 27 2HG GLN 27 14.883 7.313 -0.551 196 HG3 GLN 27 1HG GLN 27 15.855 6.609 -1.843 197 HE21 GLN 27 1HE2 GLN 27 13.582 8.961 -1.369 198 HE22 GLN 27 2HE2 GLN 27 12.826 8.946 -2.888 199 H GLN 28 H GLN 28 11.148 4.745 1.250 200 HA GLN 28 HA GLN 28 11.226 1.870 0.412 201 HB2 GLN 28 2HB GLN 28 11.982 1.729 2.598 202 HB3 GLN 28 1HB GLN 28 11.133 3.191 3.090 203 HG2 GLN 28 2HG GLN 28 9.026 2.041 3.199 204 HG3 GLN 28 1HG GLN 28 9.695 0.614 2.404 205 HE21 GLN 28 1HE2 GLN 28 8.744 1.619 5.392 206 HE22 GLN 28 2HE2 GLN 28 9.814 0.728 6.360 207 H SER 29 H SER 29 9.260 0.930 -0.076 208 HA SER 29 HA SER 29 6.902 2.745 -0.124 209 HB2 SER 29 2HB SER 29 6.821 -0.030 -1.248 210 HB3 SER 29 1HB SER 29 6.118 1.457 -1.870 211 HG SER 29 HG SER 29 8.856 0.716 -1.863 212 H SER 30 H SER 30 5.670 2.612 1.724 213 HA SER 30 HA SER 30 5.625 0.101 3.220 214 HB2 SER 30 2HB SER 30 6.085 2.389 4.288 215 HB3 SER 30 1HB SER 30 4.362 2.691 4.078 216 HG SER 30 HG SER 30 4.536 0.302 5.102 217 H CYS 31 H CYS 31 3.995 -1.289 2.733 218 HA CYS 31 HA CYS 31 1.603 -0.469 1.355 219 HB2 CYS 31 2HB CYS 31 2.300 -2.996 2.852 220 HB3 CYS 31 1HB CYS 31 0.817 -2.796 1.943 221 H GLU 32 H GLU 32 -0.505 -0.148 2.183 222 HA GLU 32 HA GLU 32 -0.807 -0.231 5.138 223 HB2 GLU 32 2HB GLU 32 -1.151 2.239 3.430 224 HB3 GLU 32 1HB GLU 32 -1.782 2.095 5.070 225 HG2 GLU 32 2HG GLU 32 0.452 1.642 5.896 226 HG3 GLU 32 1HG GLU 32 1.109 1.755 4.275 227 H ARG 33 H ARG 33 -2.573 -1.566 5.270 228 HA ARG 33 HA ARG 33 -4.772 -1.249 3.359 229 HB2 ARG 33 2HB ARG 33 -4.040 -3.352 5.042 230 HB3 ARG 33 1HB ARG 33 -5.472 -2.701 5.815 231 HG2 ARG 33 2HG ARG 33 -5.208 -3.751 2.991 232 HG3 ARG 33 1HG ARG 33 -6.254 -4.351 4.269 233 HD2 ARG 33 2HD ARG 33 -7.454 -2.153 4.238 234 HD3 ARG 33 1HD ARG 33 -6.497 -1.678 2.851 235 HE ARG 33 HE ARG 33 -8.143 -4.146 2.675 236 HH11 ARG 33 1HH2 ARG 33 -7.354 -0.917 1.702 237 HH12 ARG 33 2HH2 ARG 33 -8.398 -0.944 0.321 238 HH21 ARG 33 2HH1 ARG 33 -9.514 -4.174 0.873 239 HH22 ARG 33 1HH1 ARG 33 -9.615 -2.777 -0.144 240 H LYS 34 H LYS 34 -6.531 0.130 3.746 241 HA LYS 34 HA LYS 34 -6.576 1.400 6.400 242 HB2 LYS 34 2HB LYS 34 -7.580 2.531 3.788 243 HB3 LYS 34 1HB LYS 34 -7.567 3.366 5.343 244 HG2 LYS 34 2HG LYS 34 -4.982 2.808 5.323 245 HG3 LYS 34 1HG LYS 34 -5.230 2.610 3.588 246 HD2 LYS 34 2HD LYS 34 -5.865 5.089 5.215 247 HD3 LYS 34 1HD LYS 34 -4.577 4.913 4.025 248 HE2 LYS 34 2HE LYS 34 -6.370 4.380 2.310 249 HE3 LYS 34 1HE LYS 34 -7.557 4.873 3.520 250 HZ1 LYS 34 3HZ LYS 34 -5.367 6.540 2.413 251 HZ2 LYS 34 1HZ LYS 34 -6.399 7.019 3.673 252 HZ3 LYS 34 2HZ LYS 34 -7.032 6.727 2.124 253 H TRP 35 H TRP 35 -7.837 -1.097 5.271 254 HA TRP 35 HA TRP 35 -10.695 -0.496 5.936 255 HB2 TRP 35 2HB TRP 35 -9.481 -2.618 4.159 256 HB3 TRP 35 1HB TRP 35 -11.165 -2.633 4.668 257 HD1 TRP 35 HD TRP 35 -8.772 -0.052 3.023 258 HE1 TRP 35 1HE TRP 35 -10.104 1.198 1.201 259 HE3 TRP 35 3HE TRP 35 -13.325 -2.285 3.583 260 HZ2 TRP 35 2HZ TRP 35 -12.761 1.239 0.125 261 HZ3 TRP 35 3HZ TRP 35 -15.233 -1.633 2.149 262 HH2 TRP 35 HH TRP 35 -14.960 0.125 0.421 263 H LYS 36 H LYS 36 -7.894 -1.859 7.056 264 HA LYS 36 HA LYS 36 -8.625 -4.356 8.144 265 HB2 LYS 36 2HB LYS 36 -6.374 -2.808 8.203 266 HB3 LYS 36 1HB LYS 36 -6.914 -2.660 9.872 267 HG2 LYS 36 2HG LYS 36 -6.917 -5.076 10.148 268 HG3 LYS 36 1HG LYS 36 -6.569 -5.308 8.433 269 HD2 LYS 36 2HD LYS 36 -4.423 -4.058 8.748 270 HD3 LYS 36 1HD LYS 36 -4.757 -3.995 10.478 271 HE2 LYS 36 2HE LYS 36 -4.778 -6.636 9.037 272 HE3 LYS 36 1HE LYS 36 -3.249 -5.923 9.548 273 HZ1 LYS 36 3HZ LYS 36 -4.808 -7.458 11.100 274 HZ2 LYS 36 1HZ LYS 36 -5.322 -5.908 11.561 275 HZ3 LYS 36 2HZ LYS 36 -3.682 -6.331 11.687 276 H TYR 37 H TYR 37 -10.737 -2.212 8.447 277 HA TYR 37 HA TYR 37 -11.002 -2.250 11.468 278 HB2 TYR 37 2HB TYR 37 -12.634 -0.799 9.353 279 HB3 TYR 37 1HB TYR 37 -12.808 -0.612 11.097 280 HD1 TYR 37 2HD TYR 37 -10.761 0.189 12.433 281 HD2 TYR 37 1HD TYR 37 -11.047 0.469 8.156 282 HE1 TYR 37 2HE TYR 37 -8.957 1.890 12.421 283 HE2 TYR 37 1HE TYR 37 -9.243 2.170 8.147 284 HH TYR 37 HH TYR 37 -7.651 3.161 9.376 285 H LEU 38 H LEU 38 -11.862 -4.240 12.005 286 HA LEU 38 HA LEU 38 -13.525 -5.899 12.185 287 HB2 LEU 38 2HB LEU 38 -14.922 -3.609 11.392 288 HB3 LEU 38 1HB LEU 38 -15.382 -4.797 10.182 289 HG LEU 38 HG LEU 38 -15.437 -5.681 13.044 290 HD11 LEU 38 1HD1 LEU 38 -17.678 -4.700 13.361 291 HD12 LEU 38 2HD1 LEU 38 -17.535 -3.870 11.812 292 HD13 LEU 38 3HD1 LEU 38 -16.461 -3.442 13.144 293 HD21 LEU 38 3HD2 LEU 38 -17.650 -6.091 11.067 294 HD22 LEU 38 1HD2 LEU 38 -16.986 -7.211 12.255 295 HD23 LEU 38 2HD2 LEU 38 -16.123 -6.908 10.751 296 H PHE 39 H PHE 39 -14.484 -7.629 10.775 297 HA PHE 39 HA PHE 39 -14.713 -8.807 8.697 298 HB2 PHE 39 2HB PHE 39 -13.083 -6.606 7.812 299 HB3 PHE 39 1HB PHE 39 -12.377 -8.109 7.238 300 HD1 PHE 39 2HD PHE 39 -13.997 -9.804 6.113 301 HD2 PHE 39 1HD PHE 39 -14.933 -5.659 6.741 302 HE1 PHE 39 2HE PHE 39 -15.757 -9.937 4.369 303 HE2 PHE 39 1HE PHE 39 -16.690 -5.791 5.000 304 HZ PHE 39 HZ PHE 39 -17.104 -7.930 3.814 305 H THR 40 H THR 40 -13.028 -10.413 7.580 306 HA THR 40 HA THR 40 -11.777 -11.838 9.783 307 HB THR 40 HB THR 40 -12.551 -13.345 8.198 308 HG1 THR 40 1HG THR 40 -10.135 -13.016 6.864 309 HG21 THR 40 3HG2 THR 40 -11.926 -12.797 5.661 310 HG22 THR 40 1HG2 THR 40 -11.879 -11.149 6.281 311 HG23 THR 40 2HG2 THR 40 -13.356 -12.105 6.426 312 H GLY 41 H GLY 41 -9.422 -12.714 9.305 313 HA2 GLY 41 2HA GLY 41 -7.612 -10.537 9.527 314 HA3 GLY 41 1HA GLY 41 -7.140 -12.199 9.167 315 H GLU 42 H GLU 42 -9.365 -11.332 6.870 316 HA GLU 42 HA GLU 42 -7.201 -10.815 4.907 317 HB2 GLU 42 2HB GLU 42 -8.909 -12.598 4.461 318 HB3 GLU 42 1HB GLU 42 -10.148 -11.343 4.419 319 HG2 GLU 42 2HG GLU 42 -8.942 -10.221 2.566 320 HG3 GLU 42 1HG GLU 42 -7.724 -11.498 2.600 321 H CYS 43 H CYS 43 -6.959 -8.864 3.949 322 HA CYS 43 HA CYS 43 -7.610 -6.439 4.865 323 HB2 CYS 43 2HB CYS 43 -7.946 -5.721 2.354 324 HB3 CYS 43 1HB CYS 43 -6.394 -6.346 2.887 325 HXT CYS 43 2HT CYS 43 -9.552 -5.770 5.588 Start of MODEL 7 1 H1 CYS 1 1H CYS 1 5.598 -9.526 -1.440 2 H2 CYS 1 2H CYS 1 4.487 -10.580 -0.745 3 H3 CYS 1 3H CYS 1 4.316 -10.119 -2.355 4 HA CYS 1 HA CYS 1 3.897 -7.846 -1.706 5 HB2 CYS 1 2HB CYS 1 1.686 -8.185 -0.982 6 HB3 CYS 1 1HB CYS 1 2.058 -9.678 -1.822 7 H GLY 2 H GLY 2 4.267 -6.257 -0.190 8 HA2 GLY 2 2HA GLY 2 5.692 -6.877 2.229 9 HA3 GLY 2 1HA GLY 2 5.007 -5.304 1.815 10 H SER 3 H SER 3 2.400 -5.713 1.688 11 HA SER 3 HA SER 3 0.408 -6.299 2.823 12 HB2 SER 3 2HB SER 3 1.815 -8.353 3.656 13 HB3 SER 3 1HB SER 3 1.977 -7.412 5.135 14 HG SER 3 HG SER 3 0.090 -8.880 4.918 15 H LYS 4 H LYS 4 -0.213 -5.959 5.461 16 HA LYS 4 HA LYS 4 -0.255 -3.178 5.807 17 HB2 LYS 4 2HB LYS 4 -1.652 -4.891 7.035 18 HB3 LYS 4 1HB LYS 4 -0.257 -5.222 8.050 19 HG2 LYS 4 2HG LYS 4 -0.237 -2.936 8.864 20 HG3 LYS 4 1HG LYS 4 -1.521 -2.487 7.739 21 HD2 LYS 4 2HD LYS 4 -3.048 -4.094 8.837 22 HD3 LYS 4 1HD LYS 4 -1.772 -4.527 9.973 23 HE2 LYS 4 2HE LYS 4 -2.233 -1.628 9.836 24 HE3 LYS 4 1HE LYS 4 -3.653 -2.528 10.369 25 HZ1 LYS 4 3HZ LYS 4 -2.251 -1.956 12.231 26 HZ2 LYS 4 1HZ LYS 4 -0.924 -2.740 11.520 27 HZ3 LYS 4 2HZ LYS 4 -2.278 -3.641 12.015 28 H ARG 5 H ARG 5 1.291 -1.707 6.435 29 HA ARG 5 HA ARG 5 3.430 -0.937 7.052 30 HB2 ARG 5 2HB ARG 5 2.491 -1.375 9.286 31 HB3 ARG 5 1HB ARG 5 2.967 -3.068 9.169 32 HG2 ARG 5 2HG ARG 5 5.352 -2.332 8.968 33 HG3 ARG 5 1HG ARG 5 4.824 -0.670 9.236 34 HD2 ARG 5 2HD ARG 5 4.298 -2.958 11.154 35 HD3 ARG 5 1HD ARG 5 5.616 -1.803 11.328 36 HE ARG 5 HE ARG 5 2.747 -1.244 11.760 37 HH11 ARG 5 1HH2 ARG 5 5.996 -0.108 11.425 38 HH12 ARG 5 2HH2 ARG 5 5.676 1.411 12.192 39 HH21 ARG 5 2HH1 ARG 5 2.331 0.728 12.772 40 HH22 ARG 5 1HH1 ARG 5 3.610 1.882 12.952 41 H ALA 6 H ALA 6 4.365 -1.812 5.091 42 HA ALA 6 HA ALA 6 6.551 -3.636 5.514 43 HB1 ALA 6 1HB ALA 6 4.700 -5.285 5.598 44 HB2 ALA 6 2HB ALA 6 5.724 -5.535 4.187 45 HB3 ALA 6 3HB ALA 6 4.155 -4.735 4.006 46 H TRP 7 H TRP 7 7.980 -3.477 3.835 47 HA TRP 7 HA TRP 7 7.929 -1.461 1.974 48 HB2 TRP 7 2HB TRP 7 9.949 -2.707 2.345 49 HB3 TRP 7 1HB TRP 7 9.220 -4.176 1.700 50 HD1 TRP 7 HD TRP 7 9.846 -0.551 0.448 51 HE1 TRP 7 1HE TRP 7 10.518 -0.680 -2.039 52 HE3 TRP 7 3HE TRP 7 9.526 -5.589 -0.292 53 HZ2 TRP 7 2HZ TRP 7 10.876 -2.661 -4.071 54 HZ3 TRP 7 3HZ TRP 7 10.041 -6.572 -2.508 55 HH2 TRP 7 HH TRP 7 10.716 -5.116 -4.397 56 H CYS 8 H CYS 8 6.791 -1.004 0.195 57 HA CYS 8 HA CYS 8 5.384 -3.251 -1.233 58 HB2 CYS 8 2HB CYS 8 3.516 -1.772 -1.626 59 HB3 CYS 8 1HB CYS 8 3.870 -1.710 0.097 60 H LYS 9 H LYS 9 5.805 -3.287 -3.486 61 HA LYS 9 HA LYS 9 7.602 -1.141 -4.488 62 HB2 LYS 9 2HB LYS 9 8.059 -3.598 -4.940 63 HB3 LYS 9 1HB LYS 9 6.632 -3.592 -5.979 64 HG2 LYS 9 2HG LYS 9 7.614 -1.789 -7.341 65 HG3 LYS 9 1HG LYS 9 9.030 -1.762 -6.296 66 HD2 LYS 9 2HD LYS 9 9.526 -4.104 -6.903 67 HD3 LYS 9 1HD LYS 9 8.117 -4.121 -7.965 68 HE2 LYS 9 2HE LYS 9 10.543 -2.320 -8.230 69 HE3 LYS 9 1HE LYS 9 10.115 -3.661 -9.293 70 HZ1 LYS 9 3HZ LYS 9 8.643 -1.115 -8.912 71 HZ2 LYS 9 1HZ LYS 9 7.984 -2.452 -9.724 72 HZ3 LYS 9 2HZ LYS 9 9.375 -1.690 -10.333 73 H GLU 10 H GLU 10 4.486 -2.646 -5.273 74 HA GLU 10 HA GLU 10 3.597 -0.097 -6.477 75 HB2 GLU 10 2HB GLU 10 3.185 -2.651 -8.030 76 HB3 GLU 10 1HB GLU 10 3.060 -0.987 -8.596 77 HG2 GLU 10 2HG GLU 10 5.496 -0.719 -8.376 78 HG3 GLU 10 1HG GLU 10 5.617 -2.375 -7.776 79 H LYS 11 H LYS 11 1.200 -0.546 -7.264 80 HA LYS 11 HA LYS 11 -0.338 -1.278 -4.979 81 HB2 LYS 11 2HB LYS 11 -1.381 0.186 -6.500 82 HB3 LYS 11 1HB LYS 11 -0.929 -0.782 -7.895 83 HG2 LYS 11 2HG LYS 11 -2.530 -2.543 -7.175 84 HG3 LYS 11 1HG LYS 11 -2.988 -1.546 -5.795 85 HD2 LYS 11 2HD LYS 11 -4.649 -1.076 -7.422 86 HD3 LYS 11 1HD LYS 11 -3.534 0.284 -7.543 87 HE2 LYS 11 2HE LYS 11 -3.550 -0.214 -9.773 88 HE3 LYS 11 1HE LYS 11 -2.405 -1.467 -9.323 89 HZ1 LYS 11 3HZ LYS 11 -5.306 -1.719 -9.783 90 HZ2 LYS 11 1HZ LYS 11 -4.449 -2.888 -8.902 91 HZ3 LYS 11 2HZ LYS 11 -4.034 -2.574 -10.518 92 H LYS 12 H LYS 12 0.379 -3.082 -7.996 93 HA LYS 12 HA LYS 12 -1.173 -5.389 -7.217 94 HB2 LYS 12 2HB LYS 12 0.614 -6.297 -9.095 95 HB3 LYS 12 1HB LYS 12 -0.943 -5.581 -9.462 96 HG2 LYS 12 2HG LYS 12 1.523 -3.887 -9.088 97 HG3 LYS 12 1HG LYS 12 1.137 -4.611 -10.644 98 HD2 LYS 12 2HD LYS 12 -1.057 -3.484 -10.633 99 HD3 LYS 12 1HD LYS 12 -0.675 -2.751 -9.081 100 HE2 LYS 12 2HE LYS 12 1.441 -1.840 -10.246 101 HE3 LYS 12 1HE LYS 12 0.624 -2.253 -11.751 102 HZ1 LYS 12 3HZ LYS 12 -0.415 -0.454 -9.629 103 HZ2 LYS 12 1HZ LYS 12 -1.254 -0.883 -11.040 104 HZ3 LYS 12 2HZ LYS 12 0.180 0.025 -11.147 105 H ASP 13 H ASP 13 2.276 -4.533 -6.953 106 HA ASP 13 HA ASP 13 3.166 -7.123 -6.181 107 HB2 ASP 13 2HB ASP 13 4.236 -4.327 -5.820 108 HB3 ASP 13 1HB ASP 13 5.092 -5.740 -5.247 109 H CYS 14 H CYS 14 1.219 -4.866 -4.568 110 HA CYS 14 HA CYS 14 2.118 -5.695 -1.872 111 HB2 CYS 14 2HB CYS 14 1.394 -3.324 -2.408 112 HB3 CYS 14 1HB CYS 14 -0.245 -3.947 -2.577 113 H CYS 15 H CYS 15 0.723 -6.811 -0.407 114 HA CYS 15 HA CYS 15 -0.831 -8.889 -1.579 115 HB2 CYS 15 2HB CYS 15 -0.089 -7.981 1.104 116 HB3 CYS 15 1HB CYS 15 -1.708 -8.662 1.054 117 H CYS 16 H CYS 16 -3.011 -8.974 -2.076 118 HA CYS 16 HA CYS 16 -4.464 -6.635 -2.565 119 HB2 CYS 16 2HB CYS 16 -5.024 -9.390 -2.741 120 HB3 CYS 16 1HB CYS 16 -6.302 -8.728 -1.729 121 H GLY 17 H GLY 17 -5.912 -5.380 -1.374 122 HA2 GLY 17 2HA GLY 17 -7.204 -4.803 0.561 123 HA3 GLY 17 1HA GLY 17 -6.420 -6.097 1.460 124 H TYR 18 H TYR 18 -3.965 -4.668 -0.182 125 HA TYR 18 HA TYR 18 -3.598 -2.615 2.027 126 HB2 TYR 18 2HB TYR 18 -1.591 -4.549 0.884 127 HB3 TYR 18 1HB TYR 18 -1.171 -3.215 1.958 128 HD1 TYR 18 1HD TYR 18 -2.977 -3.056 4.010 129 HD2 TYR 18 2HD TYR 18 -1.790 -6.598 1.933 130 HE1 TYR 18 1HE TYR 18 -3.660 -4.410 5.969 131 HE2 TYR 18 2HE TYR 18 -2.468 -7.981 3.890 132 HH TYR 18 HH TYR 18 -2.732 -7.094 6.746 133 H ASN 19 H ASN 19 -2.727 -0.671 1.474 134 HA ASN 19 HA ASN 19 -2.436 -0.201 -1.462 135 HB2 ASN 19 2HB ASN 19 -2.810 2.110 -1.014 136 HB3 ASN 19 1HB ASN 19 -3.958 1.246 0.090 137 HD21 ASN 19 1HD2 ASN 19 -2.215 3.911 0.245 138 HD22 ASN 19 2HD2 ASN 19 -1.635 3.809 1.837 139 H CYS 20 H CYS 20 -0.504 0.635 -2.312 140 HA CYS 20 HA CYS 20 1.874 0.179 -0.642 141 HB2 CYS 20 2HB CYS 20 1.950 -0.710 -2.883 142 HB3 CYS 20 1HB CYS 20 1.520 0.854 -3.565 143 H VAL 21 H VAL 21 3.185 1.798 0.144 144 HA VAL 21 HA VAL 21 2.499 4.616 -0.631 145 HB VAL 21 HB VAL 21 3.283 3.485 2.069 146 HG11 VAL 21 1HG1 VAL 21 2.911 6.366 1.209 147 HG12 VAL 21 2HG1 VAL 21 4.421 5.623 1.737 148 HG13 VAL 21 3HG1 VAL 21 3.091 5.826 2.877 149 HG21 VAL 21 3HG2 VAL 21 1.102 4.175 2.776 150 HG22 VAL 21 1HG2 VAL 21 0.878 3.306 1.258 151 HG23 VAL 21 2HG2 VAL 21 0.832 5.069 1.279 152 H TYR 22 H TYR 22 4.212 5.804 -1.379 153 HA TYR 22 HA TYR 22 6.926 4.473 -1.144 154 HB2 TYR 22 2HB TYR 22 5.777 5.229 -3.380 155 HB3 TYR 22 1HB TYR 22 6.287 6.842 -2.895 156 HD1 TYR 22 1HD TYR 22 8.852 6.900 -1.981 157 HD2 TYR 22 2HD TYR 22 7.226 4.033 -4.740 158 HE1 TYR 22 1HE TYR 22 11.129 6.429 -2.837 159 HE2 TYR 22 2HE TYR 22 9.506 3.564 -5.594 160 HH TYR 22 HH TYR 22 11.839 5.167 -5.581 161 H ALA 23 H ALA 23 8.315 5.358 0.376 162 HA ALA 23 HA ALA 23 7.589 7.981 1.534 163 HB1 ALA 23 1HB ALA 23 10.057 6.546 2.404 164 HB2 ALA 23 2HB ALA 23 8.511 5.762 2.732 165 HB3 ALA 23 3HB ALA 23 8.832 7.373 3.367 166 H TRP 24 H TRP 24 8.340 9.760 0.580 167 HA TRP 24 HA TRP 24 10.251 9.944 -1.451 168 HB2 TRP 24 2HB TRP 24 10.538 12.385 -0.342 169 HB3 TRP 24 1HB TRP 24 9.098 11.929 -1.254 170 HD1 TRP 24 HD TRP 24 10.317 11.595 2.391 171 HE1 TRP 24 1HE TRP 24 8.321 12.051 3.964 172 HE3 TRP 24 3HE TRP 24 6.665 12.417 -1.067 173 HZ2 TRP 24 2HZ TRP 24 5.535 12.691 3.765 174 HZ3 TRP 24 3HZ TRP 24 4.351 12.948 -0.357 175 HH2 TRP 24 HH TRP 24 3.781 13.086 2.053 176 H TYR 25 H TYR 25 10.748 9.670 2.041 177 HA TYR 25 HA TYR 25 13.687 10.255 1.620 178 HB2 TYR 25 2HB TYR 25 13.747 10.020 4.173 179 HB3 TYR 25 1HB TYR 25 12.885 11.412 3.528 180 HD1 TYR 25 2HD TYR 25 12.170 7.807 4.385 181 HD2 TYR 25 1HD TYR 25 10.812 11.885 4.471 182 HE1 TYR 25 2HE TYR 25 10.118 7.096 5.571 183 HE2 TYR 25 1HE TYR 25 8.761 11.172 5.657 184 HH TYR 25 HH TYR 25 8.319 8.787 7.297 185 H ASN 26 H ASN 26 15.232 8.770 2.719 186 HA ASN 26 HA ASN 26 16.216 6.660 2.656 187 HB2 ASN 26 2HB ASN 26 15.450 5.265 4.343 188 HB3 ASN 26 1HB ASN 26 14.720 6.798 4.804 189 HD21 ASN 26 1HD2 ASN 26 12.856 6.138 2.235 190 HD22 ASN 26 2HD2 ASN 26 11.670 5.159 2.946 191 H GLN 27 H GLN 27 14.046 7.373 0.528 192 HA GLN 27 HA GLN 27 12.828 6.227 -1.160 193 HB2 GLN 27 2HB GLN 27 15.601 5.022 -1.140 194 HB3 GLN 27 1HB GLN 27 14.436 4.725 -2.430 195 HG2 GLN 27 2HG GLN 27 15.313 7.489 -1.552 196 HG3 GLN 27 1HG GLN 27 16.023 6.621 -2.912 197 HE21 GLN 27 1HE2 GLN 27 13.939 9.057 -2.450 198 HE22 GLN 27 2HE2 GLN 27 12.811 8.760 -3.686 199 H GLN 28 H GLN 28 11.985 5.095 1.230 200 HA GLN 28 HA GLN 28 11.908 2.176 0.541 201 HB2 GLN 28 2HB GLN 28 13.075 2.546 2.679 202 HB3 GLN 28 1HB GLN 28 11.695 3.459 3.282 203 HG2 GLN 28 2HG GLN 28 10.734 1.544 3.983 204 HG3 GLN 28 1HG GLN 28 10.681 0.967 2.320 205 HE21 GLN 28 1HE2 GLN 28 11.475 -1.144 2.409 206 HE22 GLN 28 2HE2 GLN 28 12.920 -1.601 3.174 207 H SER 29 H SER 29 9.933 1.451 0.011 208 HA SER 29 HA SER 29 7.570 3.190 0.544 209 HB2 SER 29 2HB SER 29 7.750 0.773 -1.259 210 HB3 SER 29 1HB SER 29 6.512 2.020 -1.278 211 HG SER 29 HG SER 29 9.100 2.923 -1.550 212 H SER 30 H SER 30 5.655 2.190 1.547 213 HA SER 30 HA SER 30 5.954 -0.537 2.505 214 HB2 SER 30 2HB SER 30 7.025 0.622 4.304 215 HB3 SER 30 1HB SER 30 5.746 1.833 4.348 216 HG SER 30 HG SER 30 4.311 0.118 4.935 217 H CYS 31 H CYS 31 4.022 -1.591 2.453 218 HA CYS 31 HA CYS 31 1.641 -0.153 1.662 219 HB2 CYS 31 2HB CYS 31 2.464 -2.934 1.901 220 HB3 CYS 31 1HB CYS 31 0.824 -2.695 2.479 221 H GLU 32 H GLU 32 -0.442 -0.227 2.828 222 HA GLU 32 HA GLU 32 -0.265 -0.710 5.729 223 HB2 GLU 32 2HB GLU 32 -0.723 1.422 6.490 224 HB3 GLU 32 1HB GLU 32 0.343 1.761 5.134 225 HG2 GLU 32 2HG GLU 32 -1.357 2.597 3.823 226 HG3 GLU 32 1HG GLU 32 -2.583 1.597 4.595 227 H ARG 33 H ARG 33 -2.356 -0.735 6.789 228 HA ARG 33 HA ARG 33 -4.291 -2.219 5.348 229 HB2 ARG 33 2HB ARG 33 -5.293 -2.506 7.371 230 HB3 ARG 33 1HB ARG 33 -3.777 -1.843 7.952 231 HG2 ARG 33 2HG ARG 33 -6.205 -0.119 7.380 232 HG3 ARG 33 1HG ARG 33 -5.885 -0.832 8.949 233 HD2 ARG 33 2HD ARG 33 -3.504 0.306 8.621 234 HD3 ARG 33 1HD ARG 33 -4.406 1.361 7.544 235 HE ARG 33 HE ARG 33 -6.003 1.427 9.720 236 HH11 ARG 33 1HH2 ARG 33 -2.570 1.580 9.387 237 HH12 ARG 33 2HH2 ARG 33 -2.349 2.569 10.790 238 HH21 ARG 33 2HH1 ARG 33 -5.723 2.721 11.552 239 HH22 ARG 33 1HH1 ARG 33 -4.128 3.215 12.012 240 H LYS 34 H LYS 34 -6.039 -1.682 4.182 241 HA LYS 34 HA LYS 34 -7.286 0.927 4.430 242 HB2 LYS 34 2HB LYS 34 -5.933 0.050 1.890 243 HB3 LYS 34 1HB LYS 34 -7.215 1.213 1.878 244 HG2 LYS 34 2HG LYS 34 -5.261 1.909 3.898 245 HG3 LYS 34 1HG LYS 34 -4.442 1.632 2.371 246 HD2 LYS 34 2HD LYS 34 -6.914 3.356 2.520 247 HD3 LYS 34 1HD LYS 34 -5.321 4.016 2.876 248 HE2 LYS 34 2HE LYS 34 -4.522 3.327 0.657 249 HE3 LYS 34 1HE LYS 34 -6.098 2.627 0.291 250 HZ1 LYS 34 3HZ LYS 34 -5.612 5.479 0.954 251 HZ2 LYS 34 1HZ LYS 34 -7.089 4.792 0.486 252 HZ3 LYS 34 2HZ LYS 34 -5.802 4.872 -0.622 253 H TRP 35 H TRP 35 -8.157 -1.676 5.083 254 HA TRP 35 HA TRP 35 -10.049 -3.031 4.834 255 HB2 TRP 35 2HB TRP 35 -10.960 -0.992 2.787 256 HB3 TRP 35 1HB TRP 35 -11.967 -2.100 3.715 257 HD1 TRP 35 HD TRP 35 -9.644 -1.187 6.220 258 HE1 TRP 35 1HE TRP 35 -10.414 0.834 7.621 259 HE3 TRP 35 3HE TRP 35 -13.277 0.663 3.165 260 HZ2 TRP 35 2HZ TRP 35 -12.331 2.949 7.467 261 HZ3 TRP 35 3HZ TRP 35 -14.568 2.676 3.808 262 HH2 TRP 35 HH TRP 35 -14.098 3.825 5.954 263 H LYS 36 H LYS 36 -11.544 -3.689 2.495 264 HA LYS 36 HA LYS 36 -9.776 -4.264 0.286 265 HB2 LYS 36 2HB LYS 36 -9.750 -6.779 0.720 266 HB3 LYS 36 1HB LYS 36 -8.695 -5.804 1.731 267 HG2 LYS 36 2HG LYS 36 -9.661 -6.892 3.475 268 HG3 LYS 36 1HG LYS 36 -10.999 -5.780 3.222 269 HD2 LYS 36 2HD LYS 36 -12.199 -7.722 3.089 270 HD3 LYS 36 1HD LYS 36 -11.664 -7.690 1.412 271 HE2 LYS 36 2HE LYS 36 -10.524 -9.275 3.715 272 HE3 LYS 36 1HE LYS 36 -11.165 -9.879 2.188 273 HZ1 LYS 36 3HZ LYS 36 -8.594 -8.560 2.730 274 HZ2 LYS 36 1HZ LYS 36 -9.283 -8.447 1.184 275 HZ3 LYS 36 2HZ LYS 36 -8.916 -9.969 1.839 276 H TYR 37 H TYR 37 -12.677 -3.480 1.047 277 HA TYR 37 HA TYR 37 -13.943 -5.490 -0.852 278 HB2 TYR 37 2HB TYR 37 -14.615 -5.014 1.899 279 HB3 TYR 37 1HB TYR 37 -15.947 -4.434 0.905 280 HD1 TYR 37 1HD TYR 37 -13.936 -7.385 1.847 281 HD2 TYR 37 2HD TYR 37 -17.262 -5.959 -0.461 282 HE1 TYR 37 1HE TYR 37 -14.689 -9.721 1.496 283 HE2 TYR 37 2HE TYR 37 -18.016 -8.294 -0.816 284 HH TYR 37 HH TYR 37 -16.070 -11.038 0.256 285 H LEU 38 H LEU 38 -13.201 -2.287 -0.209 286 HA LEU 38 HA LEU 38 -15.472 -0.928 -1.198 287 HB2 LEU 38 2HB LEU 38 -12.583 -0.266 -0.864 288 HB3 LEU 38 1HB LEU 38 -13.580 0.823 -1.825 289 HG LEU 38 HG LEU 38 -13.358 1.237 0.747 290 HD11 LEU 38 1HD1 LEU 38 -15.801 1.342 -0.981 291 HD12 LEU 38 2HD1 LEU 38 -14.843 2.660 -0.309 292 HD13 LEU 38 3HD1 LEU 38 -15.960 1.767 0.723 293 HD21 LEU 38 3HD2 LEU 38 -15.553 -0.869 0.732 294 HD22 LEU 38 1HD2 LEU 38 -15.016 0.071 2.115 295 HD23 LEU 38 2HD2 LEU 38 -13.937 -1.115 1.386 296 H PHE 39 H PHE 39 -12.576 -2.078 -2.970 297 HA PHE 39 HA PHE 39 -13.420 -1.004 -5.482 298 HB2 PHE 39 2HB PHE 39 -11.641 -3.332 -4.759 299 HB3 PHE 39 1HB PHE 39 -12.040 -2.986 -6.439 300 HD1 PHE 39 1HD PHE 39 -11.911 -0.269 -6.949 301 HD2 PHE 39 2HD PHE 39 -9.605 -2.448 -4.048 302 HE1 PHE 39 1HE PHE 39 -10.154 1.477 -7.032 303 HE2 PHE 39 2HE PHE 39 -7.852 -0.700 -4.133 304 HZ PHE 39 HZ PHE 39 -8.124 1.261 -5.625 305 H THR 40 H THR 40 -13.166 -4.247 -6.146 306 HA THR 40 HA THR 40 -15.975 -4.970 -5.725 307 HB THR 40 HB THR 40 -16.376 -5.284 -8.202 308 HG1 THR 40 1HG THR 40 -14.825 -4.825 -9.522 309 HG21 THR 40 3HG2 THR 40 -17.154 -3.263 -6.836 310 HG22 THR 40 1HG2 THR 40 -17.055 -3.029 -8.581 311 HG23 THR 40 2HG2 THR 40 -15.787 -2.394 -7.536 312 H GLY 41 H GLY 41 -16.181 -7.225 -5.774 313 HA2 GLY 41 2HA GLY 41 -15.336 -9.428 -5.624 314 HA3 GLY 41 1HA GLY 41 -14.784 -9.101 -7.267 315 H GLU 42 H GLU 42 -13.812 -9.283 -3.911 316 HA GLU 42 HA GLU 42 -11.675 -9.395 -2.955 317 HB2 GLU 42 2HB GLU 42 -10.415 -10.855 -4.146 318 HB3 GLU 42 1HB GLU 42 -11.483 -10.613 -5.521 319 HG2 GLU 42 2HG GLU 42 -10.107 -8.696 -6.257 320 HG3 GLU 42 1HG GLU 42 -9.037 -8.935 -4.877 321 H CYS 43 H CYS 43 -9.667 -8.043 -2.763 322 HA CYS 43 HA CYS 43 -10.225 -5.292 -3.159 323 HB2 CYS 43 2HB CYS 43 -8.338 -4.975 -1.941 324 HB3 CYS 43 1HB CYS 43 -8.244 -6.731 -1.835 325 HXT CYS 43 2HT CYS 43 -7.469 -6.660 -4.978 Start of MODEL 8 1 H1 CYS 1 1H CYS 1 4.792 -8.019 -2.077 2 H2 CYS 1 2H CYS 1 5.193 -9.376 -1.168 3 H3 CYS 1 3H CYS 1 4.395 -9.554 -2.638 4 HA CYS 1 HA CYS 1 2.440 -8.454 -1.758 5 HB2 CYS 1 2HB CYS 1 3.574 -10.967 -0.753 6 HB3 CYS 1 1HB CYS 1 2.372 -10.269 0.329 7 H GLY 2 H GLY 2 4.199 -6.520 -0.804 8 HA2 GLY 2 2HA GLY 2 4.655 -6.440 1.980 9 HA3 GLY 2 1HA GLY 2 4.344 -5.008 1.002 10 H SER 3 H SER 3 3.240 -6.581 3.640 11 HA SER 3 HA SER 3 0.353 -6.042 3.121 12 HB2 SER 3 2HB SER 3 0.718 -8.231 4.011 13 HB3 SER 3 1HB SER 3 1.816 -7.623 5.246 14 HG SER 3 HG SER 3 -0.584 -8.082 5.700 15 H LYS 4 H LYS 4 -0.512 -5.518 5.732 16 HA LYS 4 HA LYS 4 -0.306 -2.795 6.042 17 HB2 LYS 4 2HB LYS 4 -1.288 -4.844 7.662 18 HB3 LYS 4 1HB LYS 4 -0.055 -4.097 8.671 19 HG2 LYS 4 2HG LYS 4 -1.434 -1.917 7.548 20 HG3 LYS 4 1HG LYS 4 -2.697 -3.080 7.936 21 HD2 LYS 4 2HD LYS 4 -0.569 -2.079 9.849 22 HD3 LYS 4 1HD LYS 4 -2.259 -1.582 9.840 23 HE2 LYS 4 2HE LYS 4 -2.762 -4.134 10.080 24 HE3 LYS 4 1HE LYS 4 -1.082 -4.246 10.601 25 HZ1 LYS 4 3HZ LYS 4 -1.645 -2.376 12.180 26 HZ2 LYS 4 1HZ LYS 4 -2.299 -3.898 12.544 27 HZ3 LYS 4 2HZ LYS 4 -3.276 -2.702 11.837 28 H ARG 5 H ARG 5 1.449 -1.504 6.113 29 HA ARG 5 HA ARG 5 3.590 -0.736 6.661 30 HB2 ARG 5 2HB ARG 5 2.463 -1.667 8.994 31 HB3 ARG 5 1HB ARG 5 3.939 -2.622 8.919 32 HG2 ARG 5 2HG ARG 5 5.042 -0.272 8.348 33 HG3 ARG 5 1HG ARG 5 3.610 0.346 9.178 34 HD2 ARG 5 2HD ARG 5 5.636 -1.616 10.279 35 HD3 ARG 5 1HD ARG 5 5.389 0.048 10.805 36 HE ARG 5 HE ARG 5 3.077 -0.697 11.554 37 HH11 ARG 5 1HH2 ARG 5 5.636 -2.978 11.064 38 HH12 ARG 5 2HH2 ARG 5 4.986 -4.134 12.173 39 HH21 ARG 5 2HH1 ARG 5 2.227 -2.216 12.998 40 HH22 ARG 5 1HH1 ARG 5 3.066 -3.709 13.260 41 H ALA 6 H ALA 6 4.473 -1.764 4.743 42 HA ALA 6 HA ALA 6 6.626 -3.582 5.270 43 HB1 ALA 6 1HB ALA 6 5.670 -5.525 3.912 44 HB2 ALA 6 2HB ALA 6 4.092 -4.775 4.137 45 HB3 ALA 6 3HB ALA 6 5.015 -5.321 5.536 46 H TRP 7 H TRP 7 8.046 -3.523 3.617 47 HA TRP 7 HA TRP 7 8.013 -1.651 1.597 48 HB2 TRP 7 2HB TRP 7 10.059 -2.749 2.127 49 HB3 TRP 7 1HB TRP 7 9.395 -4.330 1.711 50 HD1 TRP 7 HD TRP 7 9.953 -0.939 -0.076 51 HE1 TRP 7 1HE TRP 7 10.685 -1.426 -2.498 52 HE3 TRP 7 3HE TRP 7 9.785 -6.040 -0.033 53 HZ2 TRP 7 2HZ TRP 7 11.134 -3.681 -4.197 54 HZ3 TRP 7 3HZ TRP 7 10.372 -7.333 -2.065 55 HH2 TRP 7 HH TRP 7 11.046 -6.161 -4.143 56 H CYS 8 H CYS 8 7.213 -1.446 -0.444 57 HA CYS 8 HA CYS 8 5.919 -3.840 -1.730 58 HB2 CYS 8 2HB CYS 8 4.177 -2.167 -2.606 59 HB3 CYS 8 1HB CYS 8 4.053 -2.663 -0.932 60 H LYS 9 H LYS 9 5.947 -3.715 -4.088 61 HA LYS 9 HA LYS 9 8.048 -1.899 -5.137 62 HB2 LYS 9 2HB LYS 9 6.956 -4.529 -5.849 63 HB3 LYS 9 1HB LYS 9 7.115 -3.473 -7.235 64 HG2 LYS 9 2HG LYS 9 9.485 -3.003 -6.497 65 HG3 LYS 9 1HG LYS 9 9.281 -4.290 -5.310 66 HD2 LYS 9 2HD LYS 9 8.652 -4.820 -8.205 67 HD3 LYS 9 1HD LYS 9 10.324 -4.863 -7.647 68 HE2 LYS 9 2HE LYS 9 9.859 -6.616 -6.088 69 HE3 LYS 9 1HE LYS 9 8.116 -6.433 -6.292 70 HZ1 LYS 9 3HZ LYS 9 9.541 -8.250 -7.585 71 HZ2 LYS 9 1HZ LYS 9 9.656 -6.978 -8.699 72 HZ3 LYS 9 2HZ LYS 9 8.130 -7.558 -8.230 73 H GLU 10 H GLU 10 4.731 -2.902 -5.839 74 HA GLU 10 HA GLU 10 4.124 -0.196 -6.901 75 HB2 GLU 10 2HB GLU 10 3.307 -2.804 -8.241 76 HB3 GLU 10 1HB GLU 10 2.832 -1.190 -8.754 77 HG2 GLU 10 2HG GLU 10 4.637 -1.366 -10.147 78 HG3 GLU 10 1HG GLU 10 5.546 -0.903 -8.709 79 H LYS 11 H LYS 11 1.508 -0.235 -7.228 80 HA LYS 11 HA LYS 11 0.396 -0.663 -4.626 81 HB2 LYS 11 2HB LYS 11 -0.574 0.879 -6.364 82 HB3 LYS 11 1HB LYS 11 -1.115 -0.543 -7.255 83 HG2 LYS 11 2HG LYS 11 -2.512 -1.248 -5.396 84 HG3 LYS 11 1HG LYS 11 -1.888 0.055 -4.384 85 HD2 LYS 11 2HD LYS 11 -2.960 1.019 -6.946 86 HD3 LYS 11 1HD LYS 11 -4.173 0.200 -5.963 87 HE2 LYS 11 2HE LYS 11 -3.927 2.703 -5.550 88 HE3 LYS 11 1HE LYS 11 -3.810 1.680 -4.118 89 HZ1 LYS 11 3HZ LYS 11 -1.682 3.112 -5.554 90 HZ2 LYS 11 1HZ LYS 11 -1.299 1.707 -4.685 91 HZ3 LYS 11 2HZ LYS 11 -1.992 3.037 -3.886 92 H LYS 12 H LYS 12 0.270 -2.570 -7.612 93 HA LYS 12 HA LYS 12 -1.366 -4.664 -6.580 94 HB2 LYS 12 2HB LYS 12 -1.100 -5.541 -8.670 95 HB3 LYS 12 1HB LYS 12 -0.478 -3.941 -9.026 96 HG2 LYS 12 2HG LYS 12 1.819 -5.049 -8.205 97 HG3 LYS 12 1HG LYS 12 1.004 -6.527 -8.715 98 HD2 LYS 12 2HD LYS 12 1.324 -4.060 -10.450 99 HD3 LYS 12 1HD LYS 12 2.385 -5.461 -10.515 100 HE2 LYS 12 2HE LYS 12 0.705 -6.853 -11.386 101 HE3 LYS 12 1HE LYS 12 -0.593 -5.788 -10.848 102 HZ1 LYS 12 3HZ LYS 12 -0.537 -4.884 -12.857 103 HZ2 LYS 12 1HZ LYS 12 0.856 -5.749 -13.287 104 HZ3 LYS 12 2HZ LYS 12 0.997 -4.257 -12.490 105 H ASP 13 H ASP 13 2.005 -3.892 -6.210 106 HA ASP 13 HA ASP 13 2.951 -6.529 -5.572 107 HB2 ASP 13 2HB ASP 13 4.406 -4.564 -6.149 108 HB3 ASP 13 1HB ASP 13 4.087 -3.930 -4.528 109 H CYS 14 H CYS 14 0.966 -4.347 -3.770 110 HA CYS 14 HA CYS 14 1.786 -5.425 -1.175 111 HB2 CYS 14 2HB CYS 14 -0.431 -3.584 -2.112 112 HB3 CYS 14 1HB CYS 14 -0.220 -4.061 -0.447 113 H CYS 15 H CYS 15 0.960 -7.219 -0.348 114 HA CYS 15 HA CYS 15 -0.746 -8.950 -1.804 115 HB2 CYS 15 2HB CYS 15 0.640 -9.080 0.640 116 HB3 CYS 15 1HB CYS 15 -1.039 -9.435 1.035 117 H CYS 16 H CYS 16 -2.684 -9.846 -0.148 118 HA CYS 16 HA CYS 16 -5.068 -9.399 -0.300 119 HB2 CYS 16 2HB CYS 16 -4.117 -9.487 2.042 120 HB3 CYS 16 1HB CYS 16 -4.186 -7.732 2.018 121 H GLY 17 H GLY 17 -5.877 -6.958 1.169 122 HA2 GLY 17 2HA GLY 17 -6.200 -5.249 -1.212 123 HA3 GLY 17 1HA GLY 17 -7.201 -5.187 0.233 124 H TYR 18 H TYR 18 -3.708 -5.322 0.243 125 HA TYR 18 HA TYR 18 -3.702 -2.736 1.758 126 HB2 TYR 18 2HB TYR 18 -1.568 -4.760 1.072 127 HB3 TYR 18 1HB TYR 18 -1.267 -3.311 2.017 128 HD1 TYR 18 1HD TYR 18 -2.825 -2.951 4.109 129 HD2 TYR 18 2HD TYR 18 -2.286 -6.690 2.091 130 HE1 TYR 18 1HE TYR 18 -3.575 -4.153 6.150 131 HE2 TYR 18 2HE TYR 18 -3.016 -7.903 4.132 132 HH TYR 18 HH TYR 18 -3.481 -7.695 6.323 133 H ASN 19 H ASN 19 -2.727 -0.842 1.000 134 HA ASN 19 HA ASN 19 -2.157 -0.760 -1.926 135 HB2 ASN 19 2HB ASN 19 -3.663 0.950 -1.564 136 HB3 ASN 19 1HB ASN 19 -3.159 1.175 0.110 137 HD21 ASN 19 1HD2 ASN 19 -1.978 3.059 0.464 138 HD22 ASN 19 2HD2 ASN 19 -1.069 3.879 -0.711 139 H CYS 20 H CYS 20 -0.237 0.406 -2.678 140 HA CYS 20 HA CYS 20 2.042 0.109 -0.805 141 HB2 CYS 20 2HB CYS 20 2.271 -0.775 -3.099 142 HB3 CYS 20 1HB CYS 20 1.986 0.839 -3.746 143 H VAL 21 H VAL 21 3.203 1.855 -0.060 144 HA VAL 21 HA VAL 21 2.350 4.588 -0.884 145 HB VAL 21 HB VAL 21 1.769 3.422 1.582 146 HG11 VAL 21 1HG1 VAL 21 4.189 3.639 2.189 147 HG12 VAL 21 2HG1 VAL 21 3.125 4.577 3.234 148 HG13 VAL 21 3HG1 VAL 21 4.049 5.387 1.971 149 HG21 VAL 21 3HG2 VAL 21 1.193 5.782 2.239 150 HG22 VAL 21 1HG2 VAL 21 0.576 5.313 0.656 151 HG23 VAL 21 2HG2 VAL 21 2.008 6.335 0.776 152 H TYR 22 H TYR 22 4.016 6.303 -0.326 153 HA TYR 22 HA TYR 22 6.784 5.057 -0.547 154 HB2 TYR 22 2HB TYR 22 6.099 6.304 -2.550 155 HB3 TYR 22 1HB TYR 22 5.790 7.731 -1.560 156 HD1 TYR 22 1HD TYR 22 8.501 5.231 -2.245 157 HD2 TYR 22 2HD TYR 22 7.509 9.299 -1.279 158 HE1 TYR 22 1HE TYR 22 10.896 5.855 -2.407 159 HE2 TYR 22 2HE TYR 22 9.903 9.920 -1.441 160 HH TYR 22 HH TYR 22 12.191 8.510 -1.149 161 H ALA 23 H ALA 23 8.261 5.566 0.996 162 HA ALA 23 HA ALA 23 7.516 7.665 3.001 163 HB1 ALA 23 1HB ALA 23 9.170 6.437 4.475 164 HB2 ALA 23 2HB ALA 23 9.242 5.187 3.232 165 HB3 ALA 23 3HB ALA 23 7.721 5.518 4.063 166 H TRP 24 H TRP 24 8.829 9.392 3.231 167 HA TRP 24 HA TRP 24 10.852 10.058 1.373 168 HB2 TRP 24 2HB TRP 24 10.129 11.956 2.425 169 HB3 TRP 24 1HB TRP 24 9.874 11.128 3.961 170 HD1 TRP 24 HD TRP 24 11.888 10.906 5.611 171 HE1 TRP 24 1HE TRP 24 14.159 12.122 5.777 172 HE3 TRP 24 3HE TRP 24 12.070 13.070 0.989 173 HZ2 TRP 24 2HZ TRP 24 15.829 13.788 4.160 174 HZ3 TRP 24 3HZ TRP 24 14.012 14.461 0.327 175 HH2 TRP 24 HH TRP 24 15.890 14.823 1.905 176 H TYR 25 H TYR 25 11.199 8.757 4.726 177 HA TYR 25 HA TYR 25 14.135 8.819 4.507 178 HB2 TYR 25 2HB TYR 25 12.289 8.456 6.570 179 HB3 TYR 25 1HB TYR 25 13.094 6.893 6.447 180 HD1 TYR 25 2HD TYR 25 15.687 6.893 6.366 181 HD2 TYR 25 1HD TYR 25 13.351 10.265 7.640 182 HE1 TYR 25 2HE TYR 25 17.673 7.832 7.521 183 HE2 TYR 25 1HE TYR 25 15.335 11.203 8.794 184 HH TYR 25 HH TYR 25 17.912 10.972 8.509 185 H ASN 26 H ASN 26 15.546 7.198 3.966 186 HA ASN 26 HA ASN 26 16.305 5.272 2.881 187 HB2 ASN 26 2HB ASN 26 13.936 4.220 4.428 188 HB3 ASN 26 1HB ASN 26 14.926 3.162 3.421 189 HD21 ASN 26 1HD2 ASN 26 17.346 3.235 3.903 190 HD22 ASN 26 2HD2 ASN 26 17.816 3.462 5.515 191 H GLN 27 H GLN 27 14.270 7.063 1.567 192 HA GLN 27 HA GLN 27 12.583 6.859 -0.166 193 HB2 GLN 27 2HB GLN 27 15.013 5.506 -1.365 194 HB3 GLN 27 1HB GLN 27 13.813 6.493 -2.200 195 HG2 GLN 27 2HG GLN 27 15.563 7.567 0.029 196 HG3 GLN 27 1HG GLN 27 16.003 7.676 -1.675 197 HE21 GLN 27 1HE2 GLN 27 14.228 9.226 0.819 198 HE22 GLN 27 2HE2 GLN 27 13.369 10.319 -0.157 199 H GLN 28 H GLN 28 11.943 4.772 1.518 200 HA GLN 28 HA GLN 28 11.775 2.379 -0.279 201 HB2 GLN 28 2HB GLN 28 12.996 2.284 2.028 202 HB3 GLN 28 1HB GLN 28 11.368 2.322 2.709 203 HG2 GLN 28 2HG GLN 28 10.760 0.280 1.678 204 HG3 GLN 28 1HG GLN 28 12.126 0.337 0.562 205 HE21 GLN 28 1HE2 GLN 28 11.968 0.769 4.141 206 HE22 GLN 28 2HE2 GLN 28 13.112 -0.438 4.482 207 H SER 29 H SER 29 9.744 1.470 -0.657 208 HA SER 29 HA SER 29 7.412 3.122 0.114 209 HB2 SER 29 2HB SER 29 7.542 0.721 -1.724 210 HB3 SER 29 1HB SER 29 6.201 1.844 -1.567 211 HG SER 29 HG SER 29 8.803 2.713 -2.237 212 H SER 30 H SER 30 5.684 2.323 1.384 213 HA SER 30 HA SER 30 5.996 -0.389 2.489 214 HB2 SER 30 2HB SER 30 6.755 1.166 4.185 215 HB3 SER 30 1HB SER 30 5.300 2.138 3.982 216 HG SER 30 HG SER 30 4.767 0.871 5.636 217 H CYS 31 H CYS 31 4.147 -1.614 2.488 218 HA CYS 31 HA CYS 31 1.768 -0.627 1.189 219 HB2 CYS 31 2HB CYS 31 2.259 -3.176 2.734 220 HB3 CYS 31 1HB CYS 31 0.797 -2.842 1.818 221 H GLU 32 H GLU 32 -0.243 -0.106 2.067 222 HA GLU 32 HA GLU 32 -0.712 -0.324 4.947 223 HB2 GLU 32 2HB GLU 32 -0.711 1.900 5.512 224 HB3 GLU 32 1HB GLU 32 0.507 1.957 4.242 225 HG2 GLU 32 2HG GLU 32 -1.111 2.708 2.623 226 HG3 GLU 32 1HG GLU 32 -2.433 2.409 3.747 227 H ARG 33 H ARG 33 -2.862 -0.639 5.344 228 HA ARG 33 HA ARG 33 -4.638 -1.215 3.210 229 HB2 ARG 33 2HB ARG 33 -5.053 -2.163 5.380 230 HB3 ARG 33 1HB ARG 33 -5.181 -0.567 6.115 231 HG2 ARG 33 2HG ARG 33 -7.030 -1.054 3.839 232 HG3 ARG 33 1HG ARG 33 -7.338 -2.035 5.271 233 HD2 ARG 33 2HD ARG 33 -7.254 0.986 5.091 234 HD3 ARG 33 1HD ARG 33 -8.626 -0.028 5.525 235 HE ARG 33 HE ARG 33 -6.411 0.728 7.293 236 HH11 ARG 33 1HH2 ARG 33 -9.000 -1.442 6.589 237 HH12 ARG 33 2HH2 ARG 33 -9.219 -1.920 8.240 238 HH21 ARG 33 2HH1 ARG 33 -6.682 0.123 9.440 239 HH22 ARG 33 1HH1 ARG 33 -7.903 -1.035 9.857 240 H LYS 34 H LYS 34 -6.290 -0.026 2.230 241 HA LYS 34 HA LYS 34 -7.236 2.475 3.095 242 HB2 LYS 34 2HB LYS 34 -4.824 2.539 1.368 243 HB3 LYS 34 1HB LYS 34 -6.110 3.672 0.964 244 HG2 LYS 34 2HG LYS 34 -5.817 3.794 3.792 245 HG3 LYS 34 1HG LYS 34 -4.187 3.801 3.132 246 HD2 LYS 34 2HD LYS 34 -4.486 5.828 2.051 247 HD3 LYS 34 1HD LYS 34 -6.223 5.591 1.852 248 HE2 LYS 34 2HE LYS 34 -4.921 6.050 4.545 249 HE3 LYS 34 1HE LYS 34 -5.595 7.350 3.562 250 HZ1 LYS 34 3HZ LYS 34 -7.733 6.408 3.682 251 HZ2 LYS 34 1HZ LYS 34 -7.128 6.353 5.267 252 HZ3 LYS 34 2HZ LYS 34 -7.150 4.943 4.318 253 H TRP 35 H TRP 35 -6.356 1.832 -0.215 254 HA TRP 35 HA TRP 35 -9.273 1.472 -0.819 255 HB2 TRP 35 2HB TRP 35 -7.078 2.419 -2.687 256 HB3 TRP 35 1HB TRP 35 -8.786 2.294 -3.072 257 HD1 TRP 35 HD TRP 35 -9.226 3.538 0.154 258 HE1 TRP 35 1HE TRP 35 -9.244 6.115 0.268 259 HE3 TRP 35 3HE TRP 35 -7.061 4.632 -4.336 260 HZ2 TRP 35 2HZ TRP 35 -8.442 8.348 -1.341 261 HZ3 TRP 35 3HZ TRP 35 -6.700 6.984 -5.024 262 HH2 TRP 35 HH TRP 35 -7.388 8.842 -3.534 263 H LYS 36 H LYS 36 -9.056 0.547 -3.375 264 HA LYS 36 HA LYS 36 -7.246 -1.625 -3.754 265 HB2 LYS 36 2HB LYS 36 -8.873 -2.448 -1.857 266 HB3 LYS 36 1HB LYS 36 -10.025 -2.607 -3.185 267 HG2 LYS 36 2HG LYS 36 -8.065 -3.868 -4.388 268 HG3 LYS 36 1HG LYS 36 -7.425 -4.056 -2.759 269 HD2 LYS 36 2HD LYS 36 -9.441 -5.199 -2.032 270 HD3 LYS 36 1HD LYS 36 -10.225 -4.886 -3.581 271 HE2 LYS 36 2HE LYS 36 -8.164 -6.135 -4.602 272 HE3 LYS 36 1HE LYS 36 -7.949 -6.765 -2.968 273 HZ1 LYS 36 3HZ LYS 36 -10.129 -7.229 -4.873 274 HZ2 LYS 36 1HZ LYS 36 -10.492 -7.253 -3.217 275 HZ3 LYS 36 2HZ LYS 36 -9.336 -8.325 -3.847 276 H TYR 37 H TYR 37 -10.651 -0.833 -4.171 277 HA TYR 37 HA TYR 37 -10.466 0.018 -6.880 278 HB2 TYR 37 2HB TYR 37 -10.641 -2.936 -6.541 279 HB3 TYR 37 1HB TYR 37 -11.686 -2.222 -7.765 280 HD1 TYR 37 1HD TYR 37 -10.308 -0.221 -9.146 281 HD2 TYR 37 2HD TYR 37 -8.636 -3.763 -7.372 282 HE1 TYR 37 1HE TYR 37 -8.393 -0.110 -10.720 283 HE2 TYR 37 2HE TYR 37 -6.725 -3.647 -8.944 284 HH TYR 37 HH TYR 37 -6.258 -0.899 -11.079 285 H LEU 38 H LEU 38 -12.264 -1.403 -4.314 286 HA LEU 38 HA LEU 38 -14.319 -0.098 -3.629 287 HB2 LEU 38 2HB LEU 38 -14.582 0.927 -5.878 288 HB3 LEU 38 1HB LEU 38 -15.054 -0.641 -6.530 289 HG LEU 38 HG LEU 38 -17.040 -0.661 -5.111 290 HD11 LEU 38 1HD1 LEU 38 -17.508 1.599 -3.888 291 HD12 LEU 38 2HD1 LEU 38 -15.765 1.839 -3.991 292 HD13 LEU 38 3HD1 LEU 38 -16.414 0.456 -3.111 293 HD21 LEU 38 3HD2 LEU 38 -17.238 0.426 -7.258 294 HD22 LEU 38 1HD2 LEU 38 -16.573 1.922 -6.605 295 HD23 LEU 38 2HD2 LEU 38 -18.160 1.358 -6.078 296 H PHE 39 H PHE 39 -16.625 -1.292 -3.548 297 HA PHE 39 HA PHE 39 -17.508 -3.290 -2.574 298 HB2 PHE 39 2HB PHE 39 -17.661 -3.140 -5.326 299 HB3 PHE 39 1HB PHE 39 -16.964 -4.739 -5.090 300 HD1 PHE 39 2HD PHE 39 -18.123 -6.144 -3.110 301 HD2 PHE 39 1HD PHE 39 -19.975 -2.953 -5.309 302 HE1 PHE 39 2HE PHE 39 -20.361 -7.030 -2.512 303 HE2 PHE 39 1HE PHE 39 -22.211 -3.838 -4.714 304 HZ PHE 39 HZ PHE 39 -22.405 -5.877 -3.316 305 H THR 40 H THR 40 -16.328 -4.366 -1.054 306 HA THR 40 HA THR 40 -15.037 -6.135 -0.187 307 HB THR 40 HB THR 40 -14.013 -6.748 -2.962 308 HG1 THR 40 1HG THR 40 -16.505 -7.337 -1.776 309 HG21 THR 40 3HG2 THR 40 -13.463 -7.831 -0.481 310 HG22 THR 40 1HG2 THR 40 -13.255 -8.672 -2.018 311 HG23 THR 40 2HG2 THR 40 -14.733 -8.897 -1.083 312 H GLY 41 H GLY 41 -14.114 -3.332 -1.346 313 HA2 GLY 41 2HA GLY 41 -11.244 -3.696 -1.619 314 HA3 GLY 41 1HA GLY 41 -12.076 -2.148 -1.467 315 H GLU 42 H GLU 42 -12.722 -4.592 0.920 316 HA GLU 42 HA GLU 42 -11.184 -2.972 2.913 317 HB2 GLU 42 2HB GLU 42 -13.629 -3.164 3.315 318 HB3 GLU 42 1HB GLU 42 -13.472 -4.919 3.358 319 HG2 GLU 42 2HG GLU 42 -13.461 -4.145 5.643 320 HG3 GLU 42 1HG GLU 42 -11.813 -4.632 5.253 321 H CYS 43 H CYS 43 -9.612 -3.963 4.149 322 HA CYS 43 HA CYS 43 -9.412 -6.870 4.336 323 HB2 CYS 43 2HB CYS 43 -8.397 -6.673 2.160 324 HB3 CYS 43 1HB CYS 43 -7.415 -5.303 2.681 325 HXT CYS 43 2HT CYS 43 -8.521 -3.966 6.101 Start of MODEL 9 1 H1 CYS 1 1H CYS 1 5.476 -8.874 -1.869 2 H2 CYS 1 2H CYS 1 4.836 -10.283 -1.208 3 H3 CYS 1 3H CYS 1 4.432 -9.830 -2.776 4 HA CYS 1 HA CYS 1 3.290 -7.891 -1.971 5 HB2 CYS 1 2HB CYS 1 1.368 -9.009 -1.404 6 HB3 CYS 1 1HB CYS 1 2.290 -10.361 -2.025 7 H GLY 2 H GLY 2 3.852 -6.277 -0.579 8 HA2 GLY 2 2HA GLY 2 5.116 -6.775 1.959 9 HA3 GLY 2 1HA GLY 2 4.431 -5.228 1.446 10 H SER 3 H SER 3 4.163 -6.582 4.074 11 HA SER 3 HA SER 3 1.287 -7.325 4.109 12 HB2 SER 3 2HB SER 3 3.109 -8.612 5.390 13 HB3 SER 3 1HB SER 3 3.166 -7.227 6.477 14 HG SER 3 HG SER 3 0.620 -7.989 5.972 15 H LYS 4 H LYS 4 0.264 -6.385 6.343 16 HA LYS 4 HA LYS 4 -0.334 -3.688 5.939 17 HB2 LYS 4 2HB LYS 4 -1.517 -5.236 7.505 18 HB3 LYS 4 1HB LYS 4 -0.152 -5.125 8.610 19 HG2 LYS 4 2HG LYS 4 -0.548 -2.774 8.980 20 HG3 LYS 4 1HG LYS 4 -1.764 -2.728 7.698 21 HD2 LYS 4 2HD LYS 4 -3.327 -3.946 8.945 22 HD3 LYS 4 1HD LYS 4 -2.098 -4.642 9.999 23 HE2 LYS 4 2HE LYS 4 -3.645 -2.718 10.899 24 HE3 LYS 4 1HE LYS 4 -1.928 -2.712 11.297 25 HZ1 LYS 4 3HZ LYS 4 -1.524 -1.190 9.496 26 HZ2 LYS 4 1HZ LYS 4 -2.717 -0.550 10.517 27 HZ3 LYS 4 2HZ LYS 4 -3.157 -1.242 9.030 28 H ARG 5 H ARG 5 0.982 -1.932 5.965 29 HA ARG 5 HA ARG 5 2.810 -0.547 6.446 30 HB2 ARG 5 2HB ARG 5 2.767 -2.110 9.051 31 HB3 ARG 5 1HB ARG 5 3.716 -0.655 8.764 32 HG2 ARG 5 2HG ARG 5 0.701 -0.775 8.478 33 HG3 ARG 5 1HG ARG 5 1.524 -0.240 9.942 34 HD2 ARG 5 2HD ARG 5 2.799 1.360 8.252 35 HD3 ARG 5 1HD ARG 5 1.367 1.093 7.262 36 HE ARG 5 HE ARG 5 0.011 1.995 9.151 37 HH11 ARG 5 1HH2 ARG 5 3.442 2.492 9.162 38 HH12 ARG 5 2HH2 ARG 5 3.362 3.855 10.225 39 HH21 ARG 5 2HH1 ARG 5 -0.086 3.767 10.533 40 HH22 ARG 5 1HH1 ARG 5 1.374 4.575 10.997 41 H ALA 6 H ALA 6 4.071 -1.600 4.763 42 HA ALA 6 HA ALA 6 6.572 -2.691 5.648 43 HB1 ALA 6 1HB ALA 6 4.946 -4.655 6.022 44 HB2 ALA 6 2HB ALA 6 6.397 -4.990 5.082 45 HB3 ALA 6 3HB ALA 6 4.855 -4.753 4.263 46 H TRP 7 H TRP 7 8.054 -2.852 3.973 47 HA TRP 7 HA TRP 7 7.977 -1.252 1.769 48 HB2 TRP 7 2HB TRP 7 10.029 -2.309 2.360 49 HB3 TRP 7 1HB TRP 7 9.352 -3.915 2.107 50 HD1 TRP 7 HD TRP 7 10.660 -0.871 0.194 51 HE1 TRP 7 1HE TRP 7 11.105 -1.563 -2.248 52 HE3 TRP 7 3HE TRP 7 8.695 -5.572 0.257 53 HZ2 TRP 7 2HZ TRP 7 10.680 -3.829 -3.951 54 HZ3 TRP 7 3HZ TRP 7 8.728 -6.979 -1.781 55 HH2 TRP 7 HH TRP 7 9.716 -6.120 -3.881 56 H CYS 8 H CYS 8 7.141 -1.190 -0.215 57 HA CYS 8 HA CYS 8 5.781 -3.631 -1.314 58 HB2 CYS 8 2HB CYS 8 3.997 -2.109 -2.180 59 HB3 CYS 8 1HB CYS 8 4.051 -2.182 -0.428 60 H LYS 9 H LYS 9 5.642 -3.556 -3.723 61 HA LYS 9 HA LYS 9 7.893 -1.981 -4.859 62 HB2 LYS 9 2HB LYS 9 6.849 -4.604 -5.366 63 HB3 LYS 9 1HB LYS 9 6.653 -3.659 -6.837 64 HG2 LYS 9 2HG LYS 9 9.219 -2.970 -5.976 65 HG3 LYS 9 1HG LYS 9 9.111 -4.682 -5.590 66 HD2 LYS 9 2HD LYS 9 8.825 -5.308 -7.819 67 HD3 LYS 9 1HD LYS 9 8.199 -3.728 -8.294 68 HE2 LYS 9 2HE LYS 9 10.483 -2.771 -7.826 69 HE3 LYS 9 1HE LYS 9 11.065 -4.421 -7.602 70 HZ1 LYS 9 3HZ LYS 9 9.904 -3.226 -10.053 71 HZ2 LYS 9 1HZ LYS 9 10.160 -4.891 -9.867 72 HZ3 LYS 9 2HZ LYS 9 11.481 -3.822 -9.835 73 H GLU 10 H GLU 10 4.444 -2.579 -5.328 74 HA GLU 10 HA GLU 10 4.086 0.128 -6.355 75 HB2 GLU 10 2HB GLU 10 2.853 -0.817 -8.430 76 HB3 GLU 10 1HB GLU 10 4.613 -0.758 -8.483 77 HG2 GLU 10 2HG GLU 10 4.835 -3.063 -8.166 78 HG3 GLU 10 1HG GLU 10 3.234 -3.218 -7.446 79 H LYS 11 H LYS 11 1.573 -0.053 -7.332 80 HA LYS 11 HA LYS 11 -0.036 -0.330 -5.005 81 HB2 LYS 11 2HB LYS 11 -0.679 1.119 -6.833 82 HB3 LYS 11 1HB LYS 11 -0.775 -0.249 -7.938 83 HG2 LYS 11 2HG LYS 11 -2.926 -0.581 -7.352 84 HG3 LYS 11 1HG LYS 11 -2.438 -0.843 -5.680 85 HD2 LYS 11 2HD LYS 11 -2.624 1.494 -5.170 86 HD3 LYS 11 1HD LYS 11 -2.841 1.912 -6.871 87 HE2 LYS 11 2HE LYS 11 -4.924 0.432 -6.823 88 HE3 LYS 11 1HE LYS 11 -4.753 0.412 -5.067 89 HZ1 LYS 11 3HZ LYS 11 -5.930 2.290 -5.142 90 HZ2 LYS 11 1HZ LYS 11 -5.659 2.516 -6.801 91 HZ3 LYS 11 2HZ LYS 11 -4.496 3.031 -5.675 92 H LYS 12 H LYS 12 0.358 -2.570 -7.778 93 HA LYS 12 HA LYS 12 -1.539 -4.440 -6.547 94 HB2 LYS 12 2HB LYS 12 -1.089 -3.968 -9.096 95 HB3 LYS 12 1HB LYS 12 0.173 -5.183 -8.891 96 HG2 LYS 12 2HG LYS 12 -1.443 -6.806 -8.082 97 HG3 LYS 12 1HG LYS 12 -2.722 -5.591 -8.084 98 HD2 LYS 12 2HD LYS 12 -2.514 -5.362 -10.528 99 HD3 LYS 12 1HD LYS 12 -1.229 -6.570 -10.534 100 HE2 LYS 12 2HE LYS 12 -3.612 -7.386 -11.093 101 HE3 LYS 12 1HE LYS 12 -2.703 -8.312 -9.897 102 HZ1 LYS 12 3HZ LYS 12 -4.359 -6.086 -8.957 103 HZ2 LYS 12 1HZ LYS 12 -3.989 -7.556 -8.196 104 HZ3 LYS 12 2HZ LYS 12 -5.146 -7.512 -9.439 105 H ASP 13 H ASP 13 1.916 -4.030 -6.449 106 HA ASP 13 HA ASP 13 2.522 -6.791 -5.918 107 HB2 ASP 13 2HB ASP 13 3.965 -4.198 -5.784 108 HB3 ASP 13 1HB ASP 13 4.619 -5.536 -4.870 109 H CYS 14 H CYS 14 0.742 -4.670 -4.046 110 HA CYS 14 HA CYS 14 1.908 -5.529 -1.490 111 HB2 CYS 14 2HB CYS 14 -0.284 -3.646 -2.321 112 HB3 CYS 14 1HB CYS 14 -0.147 -4.186 -0.662 113 H CYS 15 H CYS 15 0.868 -6.953 -0.081 114 HA CYS 15 HA CYS 15 -0.645 -9.050 -1.200 115 HB2 CYS 15 2HB CYS 15 0.329 -8.311 1.405 116 HB3 CYS 15 1HB CYS 15 -1.327 -8.891 1.552 117 H CYS 16 H CYS 16 -2.654 -9.181 -1.836 118 HA CYS 16 HA CYS 16 -4.529 -7.316 -2.247 119 HB2 CYS 16 2HB CYS 16 -5.363 -9.384 -2.837 120 HB3 CYS 16 1HB CYS 16 -4.781 -10.147 -1.363 121 H GLY 17 H GLY 17 -5.688 -5.831 -1.101 122 HA2 GLY 17 2HA GLY 17 -7.054 -5.188 0.814 123 HA3 GLY 17 1HA GLY 17 -6.117 -6.292 1.814 124 H TYR 18 H TYR 18 -3.682 -5.061 0.152 125 HA TYR 18 HA TYR 18 -3.555 -2.554 1.869 126 HB2 TYR 18 2HB TYR 18 -1.301 -4.492 1.302 127 HB3 TYR 18 1HB TYR 18 -1.182 -3.005 2.236 128 HD1 TYR 18 1HD TYR 18 -3.255 -2.831 4.045 129 HD2 TYR 18 2HD TYR 18 -1.406 -6.424 2.600 130 HE1 TYR 18 1HE TYR 18 -3.942 -4.008 6.107 131 HE2 TYR 18 2HE TYR 18 -2.105 -7.610 4.661 132 HH TYR 18 HH TYR 18 -2.661 -6.820 7.133 133 H ASN 19 H ASN 19 -2.500 -0.793 0.988 134 HA ASN 19 HA ASN 19 -2.170 -0.839 -1.967 135 HB2 ASN 19 2HB ASN 19 -3.468 0.926 -0.327 136 HB3 ASN 19 1HB ASN 19 -1.898 1.714 -0.477 137 HD21 ASN 19 1HD2 ASN 19 -1.909 3.183 -2.176 138 HD22 ASN 19 2HD2 ASN 19 -2.740 2.978 -3.642 139 H CYS 20 H CYS 20 -0.405 1.251 -2.312 140 HA CYS 20 HA CYS 20 2.067 0.508 -0.810 141 HB2 CYS 20 2HB CYS 20 2.122 -0.797 -2.876 142 HB3 CYS 20 1HB CYS 20 1.810 0.651 -3.828 143 H VAL 21 H VAL 21 3.185 2.310 -0.202 144 HA VAL 21 HA VAL 21 2.780 4.833 -1.746 145 HB VAL 21 HB VAL 21 2.695 4.746 1.272 146 HG11 VAL 21 1HG1 VAL 21 1.859 6.973 1.077 147 HG12 VAL 21 2HG1 VAL 21 1.562 6.786 -0.652 148 HG13 VAL 21 3HG1 VAL 21 3.216 6.881 -0.046 149 HG21 VAL 21 3HG2 VAL 21 0.824 3.408 0.524 150 HG22 VAL 21 1HG2 VAL 21 0.424 4.580 -0.730 151 HG23 VAL 21 2HG2 VAL 21 0.199 4.995 0.969 152 H TYR 22 H TYR 22 4.469 6.422 -1.452 153 HA TYR 22 HA TYR 22 7.105 5.157 -1.036 154 HB2 TYR 22 2HB TYR 22 6.486 7.043 -2.666 155 HB3 TYR 22 1HB TYR 22 6.533 8.113 -1.267 156 HD1 TYR 22 1HD TYR 22 8.585 5.461 -2.950 157 HD2 TYR 22 2HD TYR 22 8.567 9.109 -0.681 158 HE1 TYR 22 1HE TYR 22 11.052 5.608 -3.167 159 HE2 TYR 22 2HE TYR 22 11.032 9.254 -0.896 160 HH TYR 22 HH TYR 22 12.918 7.910 -1.358 161 H ALA 23 H ALA 23 8.193 5.021 0.882 162 HA ALA 23 HA ALA 23 7.180 6.621 3.192 163 HB1 ALA 23 1HB ALA 23 7.379 4.009 3.164 164 HB2 ALA 23 2HB ALA 23 7.891 4.898 4.599 165 HB3 ALA 23 3HB ALA 23 9.092 4.314 3.447 166 H TRP 24 H TRP 24 8.346 8.469 3.428 167 HA TRP 24 HA TRP 24 10.964 8.973 2.478 168 HB2 TRP 24 2HB TRP 24 10.962 10.886 4.060 169 HB3 TRP 24 1HB TRP 24 9.455 10.776 3.149 170 HD1 TRP 24 HD TRP 24 10.738 9.267 6.510 171 HE1 TRP 24 1HE TRP 24 8.847 9.485 8.238 172 HE3 TRP 24 3HE TRP 24 7.168 11.517 3.633 173 HZ2 TRP 24 2HZ TRP 24 6.173 10.483 8.391 174 HZ3 TRP 24 3HZ TRP 24 4.960 12.092 4.598 175 HH2 TRP 24 HH TRP 24 4.457 11.580 6.971 176 H TYR 25 H TYR 25 10.047 6.881 5.017 177 HA TYR 25 HA TYR 25 12.121 7.464 6.939 178 HB2 TYR 25 2HB TYR 25 10.105 5.852 7.108 179 HB3 TYR 25 1HB TYR 25 11.165 4.667 6.354 180 HD1 TYR 25 2HD TYR 25 11.292 7.243 9.079 181 HD2 TYR 25 1HD TYR 25 12.423 3.302 7.798 182 HE1 TYR 25 2HE TYR 25 12.355 6.831 11.280 183 HE2 TYR 25 1HE TYR 25 13.486 2.892 9.997 184 HH TYR 25 HH TYR 25 13.354 3.715 12.282 185 H ASN 26 H ASN 26 12.228 5.194 4.147 186 HA ASN 26 HA ASN 26 15.151 5.644 4.067 187 HB2 ASN 26 2HB ASN 26 15.391 3.054 3.699 188 HB3 ASN 26 1HB ASN 26 15.330 3.695 5.338 189 HD21 ASN 26 1HD2 ASN 26 12.760 4.031 5.967 190 HD22 ASN 26 2HD2 ASN 26 11.842 2.622 5.734 191 H GLN 27 H GLN 27 13.463 6.712 2.299 192 HA GLN 27 HA GLN 27 12.735 6.707 0.049 193 HB2 GLN 27 2HB GLN 27 15.296 5.195 -0.457 194 HB3 GLN 27 1HB GLN 27 14.550 6.459 -1.437 195 HG2 GLN 27 2HG GLN 27 15.892 6.788 1.258 196 HG3 GLN 27 1HG GLN 27 16.421 7.456 -0.286 197 HE21 GLN 27 1HE2 GLN 27 14.371 7.998 2.456 198 HE22 GLN 27 2HE2 GLN 27 13.639 9.423 1.895 199 H GLN 28 H GLN 28 11.888 4.400 1.634 200 HA GLN 28 HA GLN 28 11.701 2.347 -0.538 201 HB2 GLN 28 2HB GLN 28 12.391 0.820 0.979 202 HB3 GLN 28 1HB GLN 28 12.591 2.107 2.161 203 HG2 GLN 28 2HG GLN 28 10.276 1.865 2.886 204 HG3 GLN 28 1HG GLN 28 9.976 0.671 1.627 205 HE21 GLN 28 1HE2 GLN 28 9.900 0.383 4.654 206 HE22 GLN 28 2HE2 GLN 28 10.948 -0.911 4.986 207 H SER 29 H SER 29 9.616 1.417 -0.853 208 HA SER 29 HA SER 29 7.405 3.184 -0.029 209 HB2 SER 29 2HB SER 29 7.252 0.707 -1.743 210 HB3 SER 29 1HB SER 29 6.110 2.038 -1.675 211 HG SER 29 HG SER 29 8.513 1.807 -3.005 212 H SER 30 H SER 30 5.388 2.183 0.920 213 HA SER 30 HA SER 30 5.885 -0.358 2.298 214 HB2 SER 30 2HB SER 30 6.435 1.623 3.796 215 HB3 SER 30 1HB SER 30 4.720 2.020 3.736 216 HG SER 30 HG SER 30 4.260 0.052 4.680 217 H CYS 31 H CYS 31 4.085 -1.694 2.361 218 HA CYS 31 HA CYS 31 1.734 -0.903 0.889 219 HB2 CYS 31 2HB CYS 31 2.237 -3.318 2.650 220 HB3 CYS 31 1HB CYS 31 0.796 -3.097 1.668 221 H GLU 32 H GLU 32 -0.200 -0.046 1.666 222 HA GLU 32 HA GLU 32 -0.799 -0.265 4.538 223 HB2 GLU 32 2HB GLU 32 -0.643 1.962 5.123 224 HB3 GLU 32 1HB GLU 32 0.680 1.852 3.965 225 HG2 GLU 32 2HG GLU 32 -0.656 2.803 2.220 226 HG3 GLU 32 1HG GLU 32 -2.118 2.648 3.189 227 H ARG 33 H ARG 33 -2.964 -0.064 5.015 228 HA ARG 33 HA ARG 33 -4.863 -0.686 3.019 229 HB2 ARG 33 2HB ARG 33 -6.463 -0.543 4.734 230 HB3 ARG 33 1HB ARG 33 -4.974 -0.879 5.614 231 HG2 ARG 33 2HG ARG 33 -6.281 1.838 5.241 232 HG3 ARG 33 1HG ARG 33 -6.175 0.918 6.739 233 HD2 ARG 33 2HD ARG 33 -3.776 1.972 5.204 234 HD3 ARG 33 1HD ARG 33 -4.477 2.743 6.613 235 HE ARG 33 HE ARG 33 -3.814 0.019 7.230 236 HH11 ARG 33 1HH2 ARG 33 -2.513 3.154 6.609 237 HH12 ARG 33 2HH2 ARG 33 -1.051 2.872 7.495 238 HH21 ARG 33 2HH1 ARG 33 -1.894 -0.365 8.390 239 HH22 ARG 33 1HH1 ARG 33 -0.700 0.886 8.500 240 H LYS 34 H LYS 34 -6.763 0.699 2.343 241 HA LYS 34 HA LYS 34 -6.431 3.557 2.529 242 HB2 LYS 34 2HB LYS 34 -5.402 2.111 0.233 243 HB3 LYS 34 1HB LYS 34 -6.628 3.275 -0.256 244 HG2 LYS 34 2HG LYS 34 -5.409 5.012 1.118 245 HG3 LYS 34 1HG LYS 34 -4.118 3.832 1.349 246 HD2 LYS 34 2HD LYS 34 -3.353 5.002 -0.522 247 HD3 LYS 34 1HD LYS 34 -4.196 3.649 -1.277 248 HE2 LYS 34 2HE LYS 34 -6.274 5.329 -1.098 249 HE3 LYS 34 1HE LYS 34 -4.985 6.530 -1.122 250 HZ1 LYS 34 3HZ LYS 34 -4.518 4.532 -3.072 251 HZ2 LYS 34 1HZ LYS 34 -4.695 6.205 -3.277 252 HZ3 LYS 34 2HZ LYS 34 -6.066 5.201 -3.282 253 H TRP 35 H TRP 35 -8.563 2.407 3.522 254 HA TRP 35 HA TRP 35 -10.904 2.345 3.409 255 HB2 TRP 35 2HB TRP 35 -11.064 3.966 0.950 256 HB3 TRP 35 1HB TRP 35 -11.780 4.258 2.533 257 HD1 TRP 35 HD TRP 35 -9.240 4.354 4.328 258 HE1 TRP 35 1HE TRP 35 -7.545 6.284 4.113 259 HE3 TRP 35 3HE TRP 35 -10.331 5.956 -0.388 260 HZ2 TRP 35 2HZ TRP 35 -6.757 8.248 2.186 261 HZ3 TRP 35 3HZ TRP 35 -9.096 7.852 -1.394 262 HH2 TRP 35 HH TRP 35 -7.309 9.000 -0.114 263 H LYS 36 H LYS 36 -10.270 2.668 -0.070 264 HA LYS 36 HA LYS 36 -10.451 1.144 -1.775 265 HB2 LYS 36 2HB LYS 36 -10.462 -0.657 0.513 266 HB3 LYS 36 1HB LYS 36 -11.583 -1.213 -0.724 267 HG2 LYS 36 2HG LYS 36 -9.447 -2.152 -1.251 268 HG3 LYS 36 1HG LYS 36 -9.715 -0.851 -2.409 269 HD2 LYS 36 2HD LYS 36 -8.466 0.633 -0.652 270 HD3 LYS 36 1HD LYS 36 -7.885 -0.906 -0.018 271 HE2 LYS 36 2HE LYS 36 -6.233 -0.265 -1.584 272 HE3 LYS 36 1HE LYS 36 -7.218 -1.447 -2.447 273 HZ1 LYS 36 3HZ LYS 36 -8.367 0.264 -3.574 274 HZ2 LYS 36 1HZ LYS 36 -6.720 0.651 -3.692 275 HZ3 LYS 36 2HZ LYS 36 -7.707 1.474 -2.582 276 H TYR 37 H TYR 37 -12.515 2.971 -0.695 277 HA TYR 37 HA TYR 37 -14.983 1.491 -1.682 278 HB2 TYR 37 2HB TYR 37 -14.629 3.956 0.041 279 HB3 TYR 37 1HB TYR 37 -16.181 3.505 -0.665 280 HD1 TYR 37 1HD TYR 37 -16.935 1.013 -0.272 281 HD2 TYR 37 2HD TYR 37 -14.026 3.074 2.125 282 HE1 TYR 37 1HE TYR 37 -17.319 -0.594 1.576 283 HE2 TYR 37 2HE TYR 37 -14.408 1.465 3.971 284 HH TYR 37 HH TYR 37 -16.848 -1.116 3.685 285 H LEU 38 H LEU 38 -13.389 2.083 -3.730 286 HA LEU 38 HA LEU 38 -14.863 3.967 -5.273 287 HB2 LEU 38 2HB LEU 38 -12.651 5.384 -5.646 288 HB3 LEU 38 1HB LEU 38 -13.732 5.742 -4.316 289 HG LEU 38 HG LEU 38 -12.038 3.742 -3.300 290 HD11 LEU 38 1HD1 LEU 38 -10.301 3.838 -4.814 291 HD12 LEU 38 2HD1 LEU 38 -9.794 5.089 -3.684 292 HD13 LEU 38 3HD1 LEU 38 -10.576 5.537 -5.198 293 HD21 LEU 38 3HD2 LEU 38 -12.028 5.229 -1.620 294 HD22 LEU 38 1HD2 LEU 38 -12.826 6.400 -2.667 295 HD23 LEU 38 2HD2 LEU 38 -11.069 6.359 -2.572 296 H PHE 39 H PHE 39 -12.496 4.482 -7.078 297 HA PHE 39 HA PHE 39 -12.700 2.208 -8.730 298 HB2 PHE 39 2HB PHE 39 -11.151 4.673 -8.689 299 HB3 PHE 39 1HB PHE 39 -10.207 3.335 -9.337 300 HD1 PHE 39 2HD PHE 39 -11.439 1.807 -11.082 301 HD2 PHE 39 1HD PHE 39 -12.632 5.817 -10.105 302 HE1 PHE 39 2HE PHE 39 -12.659 1.967 -13.233 303 HE2 PHE 39 1HE PHE 39 -13.853 5.976 -12.259 304 HZ PHE 39 HZ PHE 39 -13.865 4.051 -13.822 305 H THR 40 H THR 40 -10.614 2.838 -6.066 306 HA THR 40 HA THR 40 -8.716 1.666 -5.249 307 HB THR 40 HB THR 40 -10.434 0.457 -4.130 308 HG1 THR 40 1HG THR 40 -8.690 -0.763 -3.900 309 HG21 THR 40 3HG2 THR 40 -10.897 -0.952 -6.774 310 HG22 THR 40 1HG2 THR 40 -12.007 0.123 -5.934 311 HG23 THR 40 2HG2 THR 40 -11.623 -1.447 -5.249 312 H GLY 41 H GLY 41 -9.280 -1.359 -6.549 313 HA2 GLY 41 2HA GLY 41 -8.536 -2.118 -8.825 314 HA3 GLY 41 1HA GLY 41 -7.247 -0.917 -8.709 315 H GLU 42 H GLU 42 -7.108 -1.643 -5.727 316 HA GLU 42 HA GLU 42 -5.291 -3.978 -6.097 317 HB2 GLU 42 2HB GLU 42 -4.300 -1.956 -5.101 318 HB3 GLU 42 1HB GLU 42 -5.511 -1.976 -3.827 319 HG2 GLU 42 2HG GLU 42 -4.001 -4.510 -4.196 320 HG3 GLU 42 1HG GLU 42 -3.061 -3.149 -3.591 321 H CYS 43 H CYS 43 -6.748 -5.697 -5.964 322 HA CYS 43 HA CYS 43 -8.435 -7.070 -5.044 323 HB2 CYS 43 2HB CYS 43 -6.310 -7.693 -3.936 324 HB3 CYS 43 1HB CYS 43 -6.656 -6.531 -2.661 325 HXT CYS 43 2HT CYS 43 -8.470 -6.411 -2.004 Start of MODEL 10 1 H1 CYS 1 1H CYS 1 5.601 -10.382 -0.273 2 H2 CYS 1 2H CYS 1 4.159 -11.010 0.322 3 H3 CYS 1 3H CYS 1 4.469 -11.037 -1.330 4 HA CYS 1 HA CYS 1 4.414 -8.619 -1.414 5 HB2 CYS 1 2HB CYS 1 2.020 -8.381 -1.103 6 HB3 CYS 1 1HB CYS 1 2.322 -10.070 -1.714 7 H GLY 2 H GLY 2 4.231 -6.625 -0.249 8 HA2 GLY 2 2HA GLY 2 5.050 -6.754 2.552 9 HA3 GLY 2 1HA GLY 2 4.713 -5.279 1.639 10 H SER 3 H SER 3 3.698 -6.682 4.311 11 HA SER 3 HA SER 3 0.778 -6.362 3.780 12 HB2 SER 3 2HB SER 3 0.437 -7.565 5.867 13 HB3 SER 3 1HB SER 3 1.570 -8.472 4.869 14 HG SER 3 HG SER 3 2.073 -8.006 7.217 15 H LYS 4 H LYS 4 0.440 -5.934 6.759 16 HA LYS 4 HA LYS 4 0.129 -3.149 6.792 17 HB2 LYS 4 2HB LYS 4 -0.459 -5.116 8.552 18 HB3 LYS 4 1HB LYS 4 0.955 -4.441 9.354 19 HG2 LYS 4 2HG LYS 4 -0.060 -2.224 9.385 20 HG3 LYS 4 1HG LYS 4 -1.438 -2.811 8.452 21 HD2 LYS 4 2HD LYS 4 -1.566 -4.575 10.472 22 HD3 LYS 4 1HD LYS 4 -0.769 -3.259 11.331 23 HE2 LYS 4 2HE LYS 4 -3.467 -3.263 9.991 24 HE3 LYS 4 1HE LYS 4 -3.061 -2.828 11.652 25 HZ1 LYS 4 3HZ LYS 4 -1.686 -1.246 9.692 26 HZ2 LYS 4 1HZ LYS 4 -2.564 -0.758 11.059 27 HZ3 LYS 4 2HZ LYS 4 -3.375 -1.087 9.605 28 H ARG 5 H ARG 5 1.639 -1.574 6.628 29 HA ARG 5 HA ARG 5 3.722 -0.531 6.695 30 HB2 ARG 5 2HB ARG 5 3.133 -1.618 9.311 31 HB3 ARG 5 1HB ARG 5 4.872 -1.692 9.031 32 HG2 ARG 5 2HG ARG 5 4.420 0.463 9.998 33 HG3 ARG 5 1HG ARG 5 4.741 0.739 8.286 34 HD2 ARG 5 2HD ARG 5 2.777 2.015 8.834 35 HD3 ARG 5 1HD ARG 5 2.235 0.620 7.905 36 HE ARG 5 HE ARG 5 1.278 -0.307 9.898 37 HH11 ARG 5 1HH2 ARG 5 3.022 2.632 10.404 38 HH12 ARG 5 2HH2 ARG 5 2.354 2.908 11.977 39 HH21 ARG 5 2HH1 ARG 5 0.406 0.043 11.952 40 HH22 ARG 5 1HH1 ARG 5 0.878 1.446 12.853 41 H ALA 6 H ALA 6 4.538 -1.611 4.861 42 HA ALA 6 HA ALA 6 6.952 -3.128 5.278 43 HB1 ALA 6 1HB ALA 6 4.606 -4.706 4.181 44 HB2 ALA 6 2HB ALA 6 5.278 -4.903 5.796 45 HB3 ALA 6 3HB ALA 6 6.255 -5.289 4.384 46 H TRP 7 H TRP 7 8.190 -2.927 3.511 47 HA TRP 7 HA TRP 7 7.750 -1.217 1.411 48 HB2 TRP 7 2HB TRP 7 9.943 -1.857 1.415 49 HB3 TRP 7 1HB TRP 7 9.564 -3.503 1.921 50 HD1 TRP 7 HD TRP 7 9.223 -1.301 -1.213 51 HE1 TRP 7 1HE TRP 7 9.560 -2.791 -3.305 52 HE3 TRP 7 3HE TRP 7 9.753 -5.846 1.029 53 HZ2 TRP 7 2HZ TRP 7 9.990 -5.549 -3.923 54 HZ3 TRP 7 3HZ TRP 7 10.123 -7.889 -0.325 55 HH2 TRP 7 HH TRP 7 10.242 -7.745 -2.799 56 H CYS 8 H CYS 8 7.109 -1.370 -0.727 57 HA CYS 8 HA CYS 8 5.696 -3.881 -1.544 58 HB2 CYS 8 2HB CYS 8 4.491 -1.850 -3.014 59 HB3 CYS 8 1HB CYS 8 3.795 -2.683 -1.645 60 H LYS 9 H LYS 9 5.805 -4.288 -3.817 61 HA LYS 9 HA LYS 9 8.267 -3.280 -5.081 62 HB2 LYS 9 2HB LYS 9 7.693 -5.680 -5.118 63 HB3 LYS 9 1HB LYS 9 6.198 -5.319 -5.966 64 HG2 LYS 9 2HG LYS 9 7.503 -4.429 -7.868 65 HG3 LYS 9 1HG LYS 9 8.995 -4.849 -7.020 66 HD2 LYS 9 2HD LYS 9 8.257 -7.207 -6.899 67 HD3 LYS 9 1HD LYS 9 6.797 -6.787 -7.786 68 HE2 LYS 9 2HE LYS 9 8.178 -6.069 -9.713 69 HE3 LYS 9 1HE LYS 9 9.632 -6.517 -8.818 70 HZ1 LYS 9 3HZ LYS 9 7.551 -8.542 -9.013 71 HZ2 LYS 9 1HZ LYS 9 9.238 -8.711 -9.078 72 HZ3 LYS 9 2HZ LYS 9 8.384 -8.183 -10.449 73 H GLU 10 H GLU 10 4.773 -3.062 -5.423 74 HA GLU 10 HA GLU 10 4.932 -0.616 -6.976 75 HB2 GLU 10 2HB GLU 10 4.065 -3.179 -8.331 76 HB3 GLU 10 1HB GLU 10 3.497 -1.612 -8.887 77 HG2 GLU 10 2HG GLU 10 6.394 -2.513 -8.737 78 HG3 GLU 10 1HG GLU 10 5.436 -2.305 -10.193 79 H LYS 11 H LYS 11 2.433 -0.348 -7.937 80 HA LYS 11 HA LYS 11 0.768 0.048 -5.655 81 HB2 LYS 11 2HB LYS 11 0.481 1.306 -7.725 82 HB3 LYS 11 1HB LYS 11 0.094 -0.171 -8.603 83 HG2 LYS 11 2HG LYS 11 -1.900 -0.470 -7.086 84 HG3 LYS 11 1HG LYS 11 -1.547 1.119 -6.402 85 HD2 LYS 11 2HD LYS 11 -1.813 2.164 -8.587 86 HD3 LYS 11 1HD LYS 11 -2.032 0.588 -9.347 87 HE2 LYS 11 2HE LYS 11 -4.042 0.240 -7.861 88 HE3 LYS 11 1HE LYS 11 -3.871 1.918 -7.340 89 HZ1 LYS 11 3HZ LYS 11 -5.391 1.958 -9.106 90 HZ2 LYS 11 1HZ LYS 11 -4.468 0.894 -10.051 91 HZ3 LYS 11 2HZ LYS 11 -3.927 2.485 -9.791 92 H LYS 12 H LYS 12 0.430 -2.404 -8.266 93 HA LYS 12 HA LYS 12 -1.684 -3.769 -6.749 94 HB2 LYS 12 2HB LYS 12 -1.585 -3.541 -9.298 95 HB3 LYS 12 1HB LYS 12 -0.303 -4.751 -9.260 96 HG2 LYS 12 2HG LYS 12 -1.880 -6.371 -9.208 97 HG3 LYS 12 1HG LYS 12 -2.399 -5.773 -7.635 98 HD2 LYS 12 2HD LYS 12 -4.290 -5.824 -9.204 99 HD3 LYS 12 1HD LYS 12 -3.916 -4.167 -8.735 100 HE2 LYS 12 2HE LYS 12 -4.159 -5.093 -11.352 101 HE3 LYS 12 1HE LYS 12 -3.398 -3.578 -10.866 102 HZ1 LYS 12 3HZ LYS 12 -1.288 -4.583 -10.841 103 HZ2 LYS 12 1HZ LYS 12 -2.017 -5.101 -12.282 104 HZ3 LYS 12 2HZ LYS 12 -1.934 -6.149 -10.948 105 H ASP 13 H ASP 13 1.552 -3.687 -6.391 106 HA ASP 13 HA ASP 13 1.979 -6.566 -6.020 107 HB2 ASP 13 2HB ASP 13 3.626 -4.103 -6.118 108 HB3 ASP 13 1HB ASP 13 4.278 -5.508 -5.302 109 H CYS 14 H CYS 14 0.538 -4.301 -4.054 110 HA CYS 14 HA CYS 14 2.000 -5.006 -1.603 111 HB2 CYS 14 2HB CYS 14 -0.245 -3.192 -2.345 112 HB3 CYS 14 1HB CYS 14 -0.287 -3.842 -0.724 113 H CYS 15 H CYS 15 0.901 -6.261 0.134 114 HA CYS 15 HA CYS 15 -0.189 -8.658 -0.673 115 HB2 CYS 15 2HB CYS 15 -0.707 -7.092 1.865 116 HB3 CYS 15 1HB CYS 15 -1.077 -8.788 1.642 117 H CYS 16 H CYS 16 -2.497 -9.429 -0.297 118 HA CYS 16 HA CYS 16 -4.248 -7.918 -1.939 119 HB2 CYS 16 2HB CYS 16 -4.349 -10.407 -0.388 120 HB3 CYS 16 1HB CYS 16 -5.898 -9.595 -0.544 121 H GLY 17 H GLY 17 -5.629 -6.297 -1.479 122 HA2 GLY 17 2HA GLY 17 -7.106 -4.965 -0.189 123 HA3 GLY 17 1HA GLY 17 -6.709 -5.943 1.226 124 H TYR 18 H TYR 18 -3.879 -5.057 -0.405 125 HA TYR 18 HA TYR 18 -3.562 -2.700 1.481 126 HB2 TYR 18 2HB TYR 18 -1.624 -4.867 0.692 127 HB3 TYR 18 1HB TYR 18 -1.085 -3.335 1.369 128 HD1 TYR 18 2HD TYR 18 -3.105 -6.367 2.018 129 HD2 TYR 18 1HD TYR 18 -1.380 -2.810 3.687 130 HE1 TYR 18 2HE TYR 18 -3.628 -7.184 4.300 131 HE2 TYR 18 1HE TYR 18 -1.911 -3.614 5.964 132 HH TYR 18 HH TYR 18 -2.997 -6.867 6.547 133 H ASN 19 H ASN 19 -2.425 -0.902 0.729 134 HA ASN 19 HA ASN 19 -1.925 -0.812 -2.227 135 HB2 ASN 19 2HB ASN 19 -3.830 0.589 -1.712 136 HB3 ASN 19 1HB ASN 19 -2.987 1.326 -0.352 137 HD21 ASN 19 1HD2 ASN 19 -2.743 3.488 -1.065 138 HD22 ASN 19 2HD2 ASN 19 -1.969 3.918 -2.516 139 H CYS 20 H CYS 20 -0.093 0.618 -2.839 140 HA CYS 20 HA CYS 20 2.057 0.478 -0.807 141 HB2 CYS 20 2HB CYS 20 2.328 -0.274 -3.223 142 HB3 CYS 20 1HB CYS 20 2.280 1.433 -3.666 143 H VAL 21 H VAL 21 2.858 2.200 0.247 144 HA VAL 21 HA VAL 21 2.043 4.946 -0.634 145 HB VAL 21 HB VAL 21 1.841 3.589 1.992 146 HG11 VAL 21 1HG1 VAL 21 3.037 6.364 1.750 147 HG12 VAL 21 2HG1 VAL 21 3.695 4.981 2.625 148 HG13 VAL 21 3HG1 VAL 21 2.240 5.783 3.213 149 HG21 VAL 21 3HG2 VAL 21 0.606 6.079 0.770 150 HG22 VAL 21 1HG2 VAL 21 0.115 5.363 2.303 151 HG23 VAL 21 2HG2 VAL 21 -0.109 4.468 0.799 152 H TYR 22 H TYR 22 3.714 6.360 -0.980 153 HA TYR 22 HA TYR 22 6.426 5.341 -0.994 154 HB2 TYR 22 2HB TYR 22 5.360 7.408 -2.196 155 HB3 TYR 22 1HB TYR 22 5.796 8.275 -0.727 156 HD1 TYR 22 2HD TYR 22 8.344 7.512 0.118 157 HD2 TYR 22 1HD TYR 22 6.891 7.594 -3.920 158 HE1 TYR 22 2HE TYR 22 10.673 7.715 -0.703 159 HE2 TYR 22 1HE TYR 22 9.220 7.808 -4.751 160 HH TYR 22 HH TYR 22 11.929 7.246 -2.798 161 H ALA 23 H ALA 23 7.828 5.075 0.661 162 HA ALA 23 HA ALA 23 7.246 6.467 3.247 163 HB1 ALA 23 1HB ALA 23 7.274 3.827 2.948 164 HB2 ALA 23 2HB ALA 23 7.961 4.575 4.387 165 HB3 ALA 23 3HB ALA 23 9.018 4.052 3.078 166 H TRP 24 H TRP 24 8.596 8.233 3.358 167 HA TRP 24 HA TRP 24 11.015 8.575 1.951 168 HB2 TRP 24 2HB TRP 24 11.317 10.503 3.191 169 HB3 TRP 24 1HB TRP 24 9.604 10.225 3.484 170 HD1 TRP 24 HD TRP 24 8.933 9.089 5.847 171 HE1 TRP 24 1HE TRP 24 10.141 9.112 8.126 172 HE3 TRP 24 3HE TRP 24 13.591 10.564 4.361 173 HZ2 TRP 24 2HZ TRP 24 12.741 9.680 9.177 174 HZ3 TRP 24 3HZ TRP 24 15.411 10.840 6.019 175 HH2 TRP 24 HH TRP 24 14.993 10.400 8.423 176 H TYR 25 H TYR 25 10.394 7.095 5.156 177 HA TYR 25 HA TYR 25 13.260 6.744 5.678 178 HB2 TYR 25 2HB TYR 25 12.624 5.614 7.629 179 HB3 TYR 25 1HB TYR 25 11.289 6.728 7.368 180 HD1 TYR 25 1HD TYR 25 12.369 3.219 7.271 181 HD2 TYR 25 2HD TYR 25 9.095 5.920 6.622 182 HE1 TYR 25 1HE TYR 25 10.796 1.303 7.241 183 HE2 TYR 25 2HE TYR 25 7.520 3.999 6.600 184 HH TYR 25 HH TYR 25 8.173 1.087 6.024 185 H ASN 26 H ASN 26 14.554 4.963 5.284 186 HA ASN 26 HA ASN 26 15.248 2.958 4.272 187 HB2 ASN 26 2HB ASN 26 12.810 2.288 5.292 188 HB3 ASN 26 1HB ASN 26 12.489 2.078 3.574 189 HD21 ASN 26 1HD2 ASN 26 14.804 1.100 6.141 190 HD22 ASN 26 2HD2 ASN 26 15.228 -0.373 5.409 191 H GLN 27 H GLN 27 13.460 5.415 2.890 192 HA GLN 27 HA GLN 27 13.197 6.174 0.715 193 HB2 GLN 27 2HB GLN 27 15.784 5.087 0.895 194 HB3 GLN 27 1HB GLN 27 15.130 4.420 -0.597 195 HG2 GLN 27 2HG GLN 27 15.664 7.287 0.126 196 HG3 GLN 27 1HG GLN 27 16.021 6.426 -1.367 197 HE21 GLN 27 1HE2 GLN 27 13.809 8.586 0.101 198 HE22 GLN 27 2HE2 GLN 27 12.577 8.491 -1.061 199 H GLN 28 H GLN 28 11.983 3.500 1.689 200 HA GLN 28 HA GLN 28 11.268 2.454 -1.026 201 HB2 GLN 28 2HB GLN 28 11.232 1.096 1.686 202 HB3 GLN 28 1HB GLN 28 10.526 0.397 0.228 203 HG2 GLN 28 2HG GLN 28 12.699 0.428 -0.884 204 HG3 GLN 28 1HG GLN 28 13.425 1.225 0.512 205 HE21 GLN 28 1HE2 GLN 28 13.961 -1.544 -0.670 206 HE22 GLN 28 2HE2 GLN 28 13.756 -2.608 0.635 207 H SER 29 H SER 29 8.950 1.219 -0.520 208 HA SER 29 HA SER 29 7.186 3.356 0.620 209 HB2 SER 29 2HB SER 29 6.660 1.497 -1.708 210 HB3 SER 29 1HB SER 29 5.551 2.706 -1.082 211 HG SER 29 HG SER 29 6.545 4.057 -2.336 212 H SER 30 H SER 30 5.625 2.601 2.068 213 HA SER 30 HA SER 30 5.780 -0.245 2.760 214 HB2 SER 30 2HB SER 30 4.978 0.374 4.941 215 HB3 SER 30 1HB SER 30 6.259 1.500 4.500 216 HG SER 30 HG SER 30 4.616 2.777 5.150 217 H CYS 31 H CYS 31 3.978 -1.572 2.763 218 HA CYS 31 HA CYS 31 1.690 -0.708 1.226 219 HB2 CYS 31 2HB CYS 31 2.220 -3.205 2.837 220 HB3 CYS 31 1HB CYS 31 0.737 -2.949 1.937 221 H GLU 32 H GLU 32 -0.473 -0.482 1.983 222 HA GLU 32 HA GLU 32 -0.924 -0.273 4.892 223 HB2 GLU 32 2HB GLU 32 -2.040 2.056 4.329 224 HB3 GLU 32 1HB GLU 32 -0.314 1.959 4.640 225 HG2 GLU 32 2HG GLU 32 -0.328 3.159 2.668 226 HG3 GLU 32 1HG GLU 32 -0.172 1.518 2.052 227 H ARG 33 H ARG 33 -3.417 1.073 4.551 228 HA ARG 33 HA ARG 33 -4.969 -0.456 2.595 229 HB2 ARG 33 2HB ARG 33 -5.268 -2.188 4.046 230 HB3 ARG 33 1HB ARG 33 -4.743 -1.242 5.431 231 HG2 ARG 33 2HG ARG 33 -7.421 -0.642 4.194 232 HG3 ARG 33 1HG ARG 33 -7.256 -2.046 5.241 233 HD2 ARG 33 2HD ARG 33 -5.991 0.362 6.353 234 HD3 ARG 33 1HD ARG 33 -7.729 0.533 6.117 235 HE ARG 33 HE ARG 33 -7.482 -1.938 7.338 236 HH11 ARG 33 1HH2 ARG 33 -6.416 1.275 7.944 237 HH12 ARG 33 2HH2 ARG 33 -6.306 1.063 9.659 238 HH21 ARG 33 2HH1 ARG 33 -7.333 -2.255 9.571 239 HH22 ARG 33 1HH1 ARG 33 -6.824 -0.944 10.584 240 H LYS 34 H LYS 34 -6.531 0.831 1.917 241 HA LYS 34 HA LYS 34 -7.571 2.977 3.642 242 HB2 LYS 34 2HB LYS 34 -7.014 3.132 0.669 243 HB3 LYS 34 1HB LYS 34 -7.578 4.454 1.691 244 HG2 LYS 34 2HG LYS 34 -5.018 3.021 2.367 245 HG3 LYS 34 1HG LYS 34 -5.020 4.276 1.132 246 HD2 LYS 34 2HD LYS 34 -5.767 5.928 2.681 247 HD3 LYS 34 1HD LYS 34 -6.155 4.714 3.900 248 HE2 LYS 34 2HE LYS 34 -3.816 4.175 4.198 249 HE3 LYS 34 1HE LYS 34 -3.361 5.199 2.837 250 HZ1 LYS 34 3HZ LYS 34 -3.123 6.812 4.321 251 HZ2 LYS 34 1HZ LYS 34 -3.875 5.917 5.551 252 HZ3 LYS 34 2HZ LYS 34 -4.814 6.834 4.471 253 H TRP 35 H TRP 35 -8.490 0.230 2.882 254 HA TRP 35 HA TRP 35 -11.090 0.952 1.581 255 HB2 TRP 35 2HB TRP 35 -11.130 -1.464 0.887 256 HB3 TRP 35 1HB TRP 35 -9.776 -0.573 0.188 257 HD1 TRP 35 HD TRP 35 -7.433 -0.709 1.765 258 HE1 TRP 35 1HE TRP 35 -6.446 -2.782 2.934 259 HE3 TRP 35 3HE TRP 35 -11.539 -3.729 1.828 260 HZ2 TRP 35 2HZ TRP 35 -7.287 -5.387 3.783 261 HZ3 TRP 35 3HZ TRP 35 -11.429 -5.996 2.827 262 HH2 TRP 35 HH TRP 35 -9.307 -6.829 3.799 263 H LYS 36 H LYS 36 -12.504 -1.362 2.274 264 HA LYS 36 HA LYS 36 -12.198 -2.119 5.035 265 HB2 LYS 36 2HB LYS 36 -13.020 0.325 5.179 266 HB3 LYS 36 1HB LYS 36 -14.560 -0.290 4.570 267 HG2 LYS 36 2HG LYS 36 -14.137 -2.104 6.519 268 HG3 LYS 36 1HG LYS 36 -13.232 -0.760 7.203 269 HD2 LYS 36 2HD LYS 36 -15.234 0.692 6.968 270 HD3 LYS 36 1HD LYS 36 -16.137 -0.685 6.338 271 HE2 LYS 36 2HE LYS 36 -15.347 -1.870 8.549 272 HE3 LYS 36 1HE LYS 36 -15.104 -0.221 9.125 273 HZ1 LYS 36 3HZ LYS 36 -17.637 -1.106 7.876 274 HZ2 LYS 36 1HZ LYS 36 -17.360 0.286 8.803 275 HZ3 LYS 36 2HZ LYS 36 -17.357 -1.242 9.545 276 H TYR 37 H TYR 37 -12.638 -3.406 2.555 277 HA TYR 37 HA TYR 37 -13.874 -5.513 2.333 278 HB2 TYR 37 2HB TYR 37 -15.984 -4.014 3.859 279 HB3 TYR 37 1HB TYR 37 -16.503 -5.259 2.740 280 HD1 TYR 37 2HD TYR 37 -14.240 -4.647 5.657 281 HD2 TYR 37 1HD TYR 37 -16.314 -7.547 3.256 282 HE1 TYR 37 2HE TYR 37 -13.660 -6.422 7.291 283 HE2 TYR 37 1HE TYR 37 -15.731 -9.314 4.889 284 HH TYR 37 HH TYR 37 -14.834 -9.762 6.861 285 H LEU 38 H LEU 38 -13.297 -3.251 0.569 286 HA LEU 38 HA LEU 38 -15.539 -2.586 -1.023 287 HB2 LEU 38 2HB LEU 38 -12.603 -2.820 -1.719 288 HB3 LEU 38 1HB LEU 38 -13.809 -2.164 -2.824 289 HG LEU 38 HG LEU 38 -13.394 -1.075 -0.029 290 HD11 LEU 38 1HD1 LEU 38 -11.900 0.543 -0.866 291 HD12 LEU 38 2HD1 LEU 38 -12.340 0.222 -2.541 292 HD13 LEU 38 3HD1 LEU 38 -11.357 -0.938 -1.650 293 HD21 LEU 38 3HD2 LEU 38 -14.722 0.028 -2.532 294 HD22 LEU 38 1HD2 LEU 38 -14.533 0.911 -1.018 295 HD23 LEU 38 2HD2 LEU 38 -15.552 -0.522 -1.079 296 H PHE 39 H PHE 39 -13.181 -5.194 -1.260 297 HA PHE 39 HA PHE 39 -14.350 -7.433 -1.850 298 HB2 PHE 39 2HB PHE 39 -15.268 -5.593 -3.947 299 HB3 PHE 39 1HB PHE 39 -14.589 -7.074 -4.593 300 HD1 PHE 39 2HD PHE 39 -16.800 -6.121 -1.675 301 HD2 PHE 39 1HD PHE 39 -16.083 -8.796 -4.963 302 HE1 PHE 39 2HE PHE 39 -18.860 -7.368 -1.112 303 HE2 PHE 39 1HE PHE 39 -18.145 -10.047 -4.388 304 HZ PHE 39 HZ PHE 39 -19.533 -9.331 -2.464 305 H THR 40 H THR 40 -13.383 -8.539 -4.152 306 HA THR 40 HA THR 40 -10.505 -8.439 -3.701 307 HB THR 40 HB THR 40 -10.406 -10.198 -5.393 308 HG1 THR 40 1HG THR 40 -12.118 -10.635 -6.671 309 HG21 THR 40 3HG2 THR 40 -12.887 -10.566 -3.696 310 HG22 THR 40 1HG2 THR 40 -11.240 -10.741 -3.091 311 HG23 THR 40 2HG2 THR 40 -11.844 -11.836 -4.334 312 H GLY 41 H GLY 41 -12.531 -6.440 -5.376 313 HA2 GLY 41 2HA GLY 41 -11.706 -5.945 -7.912 314 HA3 GLY 41 1HA GLY 41 -11.902 -4.617 -6.770 315 H GLU 42 H GLU 42 -9.972 -4.000 -5.488 316 HA GLU 42 HA GLU 42 -7.462 -4.529 -7.029 317 HB2 GLU 42 2HB GLU 42 -6.692 -2.413 -5.747 318 HB3 GLU 42 1HB GLU 42 -7.851 -2.201 -7.058 319 HG2 GLU 42 2HG GLU 42 -8.762 -2.591 -4.204 320 HG3 GLU 42 1HG GLU 42 -8.360 -0.995 -4.835 321 H CYS 43 H CYS 43 -6.121 -5.961 -6.022 322 HA CYS 43 HA CYS 43 -6.387 -6.380 -3.111 323 HB2 CYS 43 2HB CYS 43 -5.455 -7.922 -5.394 324 HB3 CYS 43 1HB CYS 43 -4.288 -7.978 -4.088 325 HXT CYS 43 2HT CYS 43 -2.775 -5.450 -2.845 Start of MODEL 11 1 H1 CYS 1 1H CYS 1 5.423 -9.633 -1.370 2 H2 CYS 1 2H CYS 1 4.228 -10.706 -0.870 3 H3 CYS 1 3H CYS 1 4.219 -10.111 -2.443 4 HA CYS 1 HA CYS 1 3.791 -7.896 -1.656 5 HB2 CYS 1 2HB CYS 1 1.523 -8.227 -1.296 6 HB3 CYS 1 1HB CYS 1 1.977 -9.768 -2.010 7 H GLY 2 H GLY 2 4.291 -6.475 -0.087 8 HA2 GLY 2 2HA GLY 2 5.453 -7.338 2.386 9 HA3 GLY 2 1HA GLY 2 5.058 -5.683 1.952 10 H SER 3 H SER 3 2.336 -5.639 1.858 11 HA SER 3 HA SER 3 0.332 -5.805 3.116 12 HB2 SER 3 2HB SER 3 1.591 -8.138 3.878 13 HB3 SER 3 1HB SER 3 1.452 -7.287 5.406 14 HG SER 3 HG SER 3 -0.516 -8.276 3.705 15 H LYS 4 H LYS 4 -0.385 -5.111 5.461 16 HA LYS 4 HA LYS 4 0.253 -2.592 6.118 17 HB2 LYS 4 2HB LYS 4 -1.189 -4.307 7.469 18 HB3 LYS 4 1HB LYS 4 0.273 -4.526 8.432 19 HG2 LYS 4 2HG LYS 4 0.335 -2.142 8.946 20 HG3 LYS 4 1HG LYS 4 -1.043 -1.843 7.893 21 HD2 LYS 4 2HD LYS 4 -2.502 -3.138 9.311 22 HD3 LYS 4 1HD LYS 4 -1.140 -3.706 10.277 23 HE2 LYS 4 2HE LYS 4 -2.389 -1.873 11.402 24 HE3 LYS 4 1HE LYS 4 -0.713 -1.436 11.076 25 HZ1 LYS 4 3HZ LYS 4 -1.420 0.275 9.898 26 HZ2 LYS 4 1HZ LYS 4 -3.031 -0.133 10.231 27 HZ3 LYS 4 2HZ LYS 4 -2.267 -0.755 8.846 28 H ARG 5 H ARG 5 1.997 -1.409 6.651 29 HA ARG 5 HA ARG 5 4.256 -0.887 7.038 30 HB2 ARG 5 2HB ARG 5 4.079 -3.161 9.033 31 HB3 ARG 5 1HB ARG 5 5.235 -1.834 9.048 32 HG2 ARG 5 2HG ARG 5 3.163 -0.295 9.214 33 HG3 ARG 5 1HG ARG 5 2.287 -1.761 9.651 34 HD2 ARG 5 2HD ARG 5 4.648 -0.539 11.088 35 HD3 ARG 5 1HD ARG 5 3.019 -0.784 11.714 36 HE ARG 5 HE ARG 5 5.122 -2.764 11.678 37 HH11 ARG 5 1HH2 ARG 5 1.726 -2.270 11.309 38 HH12 ARG 5 2HH2 ARG 5 1.312 -3.875 11.815 39 HH21 ARG 5 2HH1 ARG 5 4.597 -4.844 12.340 40 HH22 ARG 5 1HH1 ARG 5 2.936 -5.331 12.398 41 H ALA 6 H ALA 6 4.761 -1.853 4.849 42 HA ALA 6 HA ALA 6 6.886 -3.806 5.144 43 HB1 ALA 6 1HB ALA 6 4.791 -5.203 5.349 44 HB2 ALA 6 2HB ALA 6 5.874 -5.679 4.041 45 HB3 ALA 6 3HB ALA 6 4.416 -4.741 3.688 46 H TRP 7 H TRP 7 8.248 -3.662 3.462 47 HA TRP 7 HA TRP 7 8.154 -1.665 1.523 48 HB2 TRP 7 2HB TRP 7 10.244 -2.659 1.949 49 HB3 TRP 7 1HB TRP 7 9.616 -4.286 1.700 50 HD1 TRP 7 HD TRP 7 10.743 -1.186 -0.196 51 HE1 TRP 7 1HE TRP 7 11.122 -1.831 -2.673 52 HE3 TRP 7 3HE TRP 7 8.944 -5.954 -0.141 53 HZ2 TRP 7 2HZ TRP 7 10.706 -4.090 -4.393 54 HZ3 TRP 7 3HZ TRP 7 8.939 -7.331 -2.199 55 HH2 TRP 7 HH TRP 7 9.820 -6.406 -4.324 56 H CYS 8 H CYS 8 7.279 -1.487 -0.502 57 HA CYS 8 HA CYS 8 5.895 -3.892 -1.660 58 HB2 CYS 8 2HB CYS 8 3.993 -2.708 -1.559 59 HB3 CYS 8 1HB CYS 8 4.829 -1.308 -0.906 60 H LYS 9 H LYS 9 6.123 -4.068 -3.967 61 HA LYS 9 HA LYS 9 8.439 -2.584 -5.042 62 HB2 LYS 9 2HB LYS 9 8.238 -5.054 -5.321 63 HB3 LYS 9 1HB LYS 9 6.784 -4.792 -6.276 64 HG2 LYS 9 2HG LYS 9 7.988 -3.721 -8.021 65 HG3 LYS 9 1HG LYS 9 9.418 -3.519 -7.010 66 HD2 LYS 9 2HD LYS 9 9.872 -5.352 -8.500 67 HD3 LYS 9 1HD LYS 9 9.598 -6.040 -6.904 68 HE2 LYS 9 2HE LYS 9 7.061 -6.109 -7.859 69 HE3 LYS 9 1HE LYS 9 7.951 -6.253 -9.370 70 HZ1 LYS 9 3HZ LYS 9 8.982 -8.193 -8.673 71 HZ2 LYS 9 1HZ LYS 9 7.399 -8.374 -8.091 72 HZ3 LYS 9 2HZ LYS 9 8.643 -7.913 -7.031 73 H GLU 10 H GLU 10 5.022 -3.166 -5.853 74 HA GLU 10 HA GLU 10 4.910 -0.475 -7.084 75 HB2 GLU 10 2HB GLU 10 4.025 -3.019 -8.495 76 HB3 GLU 10 1HB GLU 10 3.548 -1.407 -9.005 77 HG2 GLU 10 2HG GLU 10 6.441 -1.556 -8.679 78 HG3 GLU 10 1HG GLU 10 5.878 -2.803 -9.785 79 H LYS 11 H LYS 11 2.358 -0.232 -7.712 80 HA LYS 11 HA LYS 11 0.995 -0.365 -5.214 81 HB2 LYS 11 2HB LYS 11 0.377 1.226 -6.989 82 HB3 LYS 11 1HB LYS 11 -0.211 -0.110 -7.979 83 HG2 LYS 11 2HG LYS 11 -2.144 -0.291 -6.800 84 HG3 LYS 11 1HG LYS 11 -1.316 -0.145 -5.254 85 HD2 LYS 11 2HD LYS 11 -1.375 2.386 -6.775 86 HD3 LYS 11 1HD LYS 11 -2.977 1.777 -6.360 87 HE2 LYS 11 2HE LYS 11 -2.188 3.181 -4.542 88 HE3 LYS 11 1HE LYS 11 -2.216 1.503 -3.996 89 HZ1 LYS 11 3HZ LYS 11 0.028 3.275 -4.398 90 HZ2 LYS 11 1HZ LYS 11 0.248 1.724 -5.049 91 HZ3 LYS 11 2HZ LYS 11 -0.114 1.906 -3.399 92 H LYS 12 H LYS 12 1.012 -2.566 -7.976 93 HA LYS 12 HA LYS 12 -1.103 -4.232 -6.839 94 HB2 LYS 12 2HB LYS 12 -0.231 -3.859 -9.363 95 HB3 LYS 12 1HB LYS 12 0.703 -5.298 -8.961 96 HG2 LYS 12 2HG LYS 12 -1.323 -6.512 -8.382 97 HG3 LYS 12 1HG LYS 12 -2.298 -5.057 -8.598 98 HD2 LYS 12 2HD LYS 12 -1.623 -4.977 -10.983 99 HD3 LYS 12 1HD LYS 12 -0.709 -6.470 -10.761 100 HE2 LYS 12 2HE LYS 12 -2.901 -7.503 -9.921 101 HE3 LYS 12 1HE LYS 12 -3.700 -6.072 -10.573 102 HZ1 LYS 12 3HZ LYS 12 -3.759 -7.328 -12.422 103 HZ2 LYS 12 1HZ LYS 12 -2.440 -8.290 -11.962 104 HZ3 LYS 12 2HZ LYS 12 -2.175 -6.751 -12.631 105 H ASP 13 H ASP 13 2.195 -3.869 -6.185 106 HA ASP 13 HA ASP 13 2.667 -6.702 -5.571 107 HB2 ASP 13 2HB ASP 13 4.455 -5.007 -6.353 108 HB3 ASP 13 1HB ASP 13 4.452 -4.444 -4.682 109 H CYS 14 H CYS 14 0.895 -4.376 -3.946 110 HA CYS 14 HA CYS 14 1.873 -5.119 -1.271 111 HB2 CYS 14 2HB CYS 14 -0.169 -3.214 -2.366 112 HB3 CYS 14 1HB CYS 14 -0.302 -3.735 -0.701 113 H CYS 15 H CYS 15 0.723 -6.509 0.094 114 HA CYS 15 HA CYS 15 -0.660 -8.663 -0.939 115 HB2 CYS 15 2HB CYS 15 -1.170 -7.405 1.768 116 HB3 CYS 15 1HB CYS 15 -1.341 -9.092 1.325 117 H CYS 16 H CYS 16 -2.807 -9.072 -1.443 118 HA CYS 16 HA CYS 16 -4.445 -7.031 -2.395 119 HB2 CYS 16 2HB CYS 16 -5.171 -9.105 -3.100 120 HB3 CYS 16 1HB CYS 16 -4.934 -9.844 -1.522 121 H GLY 17 H GLY 17 -5.926 -5.641 -1.499 122 HA2 GLY 17 2HA GLY 17 -7.433 -4.824 0.175 123 HA3 GLY 17 1HA GLY 17 -6.808 -6.034 1.294 124 H TYR 18 H TYR 18 -4.129 -4.756 -0.159 125 HA TYR 18 HA TYR 18 -3.922 -2.579 1.956 126 HB2 TYR 18 2HB TYR 18 -1.812 -4.566 1.080 127 HB3 TYR 18 1HB TYR 18 -1.529 -3.213 2.176 128 HD1 TYR 18 1HD TYR 18 -3.254 -6.457 1.763 129 HD2 TYR 18 2HD TYR 18 -2.394 -3.209 4.440 130 HE1 TYR 18 1HE TYR 18 -4.101 -7.802 3.662 131 HE2 TYR 18 2HE TYR 18 -3.239 -4.554 6.342 132 HH TYR 18 HH TYR 18 -4.331 -6.423 6.928 133 H ASN 19 H ASN 19 -2.844 -0.703 1.339 134 HA ASN 19 HA ASN 19 -2.451 -0.369 -1.597 135 HB2 ASN 19 2HB ASN 19 -3.859 1.351 -0.880 136 HB3 ASN 19 1HB ASN 19 -3.063 1.478 0.686 137 HD21 ASN 19 1HD2 ASN 19 -1.756 3.292 0.889 138 HD22 ASN 19 2HD2 ASN 19 -0.991 4.095 -0.397 139 H CYS 20 H CYS 20 -0.547 0.698 -2.383 140 HA CYS 20 HA CYS 20 1.851 0.167 -0.727 141 HB2 CYS 20 2HB CYS 20 1.789 -0.574 -3.119 142 HB3 CYS 20 1HB CYS 20 1.646 1.116 -3.606 143 H VAL 21 H VAL 21 2.500 1.782 0.575 144 HA VAL 21 HA VAL 21 1.916 4.595 -0.190 145 HB VAL 21 HB VAL 21 1.912 3.179 2.284 146 HG11 VAL 21 1HG1 VAL 21 3.410 4.500 3.679 147 HG12 VAL 21 2HG1 VAL 21 3.952 5.427 2.282 148 HG13 VAL 21 3HG1 VAL 21 4.354 3.713 2.419 149 HG21 VAL 21 3HG2 VAL 21 0.361 4.962 1.582 150 HG22 VAL 21 1HG2 VAL 21 1.666 6.141 1.703 151 HG23 VAL 21 2HG2 VAL 21 1.080 5.322 3.152 152 H TYR 22 H TYR 22 3.578 6.107 -0.533 153 HA TYR 22 HA TYR 22 6.265 4.775 -0.949 154 HB2 TYR 22 2HB TYR 22 4.897 6.111 -2.765 155 HB3 TYR 22 1HB TYR 22 5.559 7.523 -1.945 156 HD1 TYR 22 2HD TYR 22 6.498 4.295 -3.546 157 HD2 TYR 22 1HD TYR 22 7.797 8.201 -2.325 158 HE1 TYR 22 2HE TYR 22 8.644 3.947 -4.733 159 HE2 TYR 22 1HE TYR 22 9.944 7.858 -3.513 160 HH TYR 22 HH TYR 22 10.436 5.541 -5.789 161 H ALA 23 H ALA 23 7.908 5.289 0.420 162 HA ALA 23 HA ALA 23 7.468 7.437 2.413 163 HB1 ALA 23 1HB ALA 23 8.314 5.090 3.001 164 HB2 ALA 23 2HB ALA 23 9.240 6.436 3.657 165 HB3 ALA 23 3HB ALA 23 9.837 5.561 2.248 166 H TRP 24 H TRP 24 7.927 9.388 1.432 167 HA TRP 24 HA TRP 24 9.696 10.011 -0.589 168 HB2 TRP 24 2HB TRP 24 9.843 12.275 0.356 169 HB3 TRP 24 1HB TRP 24 8.198 11.663 0.473 170 HD1 TRP 24 HD TRP 24 8.329 9.941 3.066 171 HE1 TRP 24 1HE TRP 24 8.710 11.039 5.358 172 HE3 TRP 24 3HE TRP 24 10.469 14.345 1.598 173 HZ2 TRP 24 2HZ TRP 24 9.779 13.457 6.438 174 HZ3 TRP 24 3HZ TRP 24 11.152 16.028 3.285 175 HH2 TRP 24 HH TRP 24 10.808 15.590 5.701 176 H TYR 25 H TYR 25 10.485 9.153 2.748 177 HA TYR 25 HA TYR 25 13.375 9.848 2.182 178 HB2 TYR 25 2HB TYR 25 13.737 9.826 4.483 179 HB3 TYR 25 1HB TYR 25 12.058 10.355 4.425 180 HD1 TYR 25 2HD TYR 25 10.215 8.733 4.901 181 HD2 TYR 25 1HD TYR 25 14.354 7.676 5.362 182 HE1 TYR 25 2HE TYR 25 9.562 6.771 6.271 183 HE2 TYR 25 1HE TYR 25 13.701 5.713 6.733 184 HH TYR 25 HH TYR 25 11.395 4.230 6.843 185 H ASN 26 H ASN 26 14.962 8.221 2.182 186 HA ASN 26 HA ASN 26 15.817 6.077 1.774 187 HB2 ASN 26 2HB ASN 26 13.684 5.672 3.786 188 HB3 ASN 26 1HB ASN 26 14.043 4.246 2.825 189 HD21 ASN 26 1HD2 ASN 26 16.371 3.525 2.788 190 HD22 ASN 26 2HD2 ASN 26 17.355 3.880 4.124 191 H GLN 27 H GLN 27 12.939 7.205 0.522 192 HA GLN 27 HA GLN 27 11.528 6.466 -1.221 193 HB2 GLN 27 2HB GLN 27 14.354 5.994 -1.924 194 HB3 GLN 27 1HB GLN 27 13.229 5.017 -2.867 195 HG2 GLN 27 2HG GLN 27 13.694 7.221 -3.929 196 HG3 GLN 27 1HG GLN 27 11.992 7.014 -3.526 197 HE21 GLN 27 1HE2 GLN 27 11.158 8.918 -2.660 198 HE22 GLN 27 2HE2 GLN 27 11.998 9.971 -1.626 199 H GLN 28 H GLN 28 11.107 4.879 0.929 200 HA GLN 28 HA GLN 28 11.122 2.084 -0.150 201 HB2 GLN 28 2HB GLN 28 12.143 3.021 2.258 202 HB3 GLN 28 1HB GLN 28 10.563 2.407 2.723 203 HG2 GLN 28 2HG GLN 28 12.141 0.596 2.920 204 HG3 GLN 28 1HG GLN 28 11.139 0.270 1.506 205 HE21 GLN 28 1HE2 GLN 28 13.115 2.838 0.667 206 HE22 GLN 28 2HE2 GLN 28 14.386 1.978 -0.056 207 H SER 29 H SER 29 9.112 1.172 -0.472 208 HA SER 29 HA SER 29 6.782 2.871 0.189 209 HB2 SER 29 2HB SER 29 6.840 0.352 -1.474 210 HB3 SER 29 1HB SER 29 5.575 1.566 -1.406 211 HG SER 29 HG SER 29 7.299 1.597 -3.171 212 H SER 30 H SER 30 5.506 2.394 1.907 213 HA SER 30 HA SER 30 5.719 -0.268 3.134 214 HB2 SER 30 2HB SER 30 5.428 0.730 5.183 215 HB3 SER 30 1HB SER 30 6.029 2.140 4.314 216 HG SER 30 HG SER 30 4.169 2.902 5.033 217 H CYS 31 H CYS 31 3.997 -1.639 2.671 218 HA CYS 31 HA CYS 31 1.601 -0.669 1.417 219 HB2 CYS 31 2HB CYS 31 2.106 -3.280 2.858 220 HB3 CYS 31 1HB CYS 31 0.691 -2.936 1.890 221 H GLU 32 H GLU 32 -0.442 -0.201 2.340 222 HA GLU 32 HA GLU 32 -0.705 -0.480 5.283 223 HB2 GLU 32 2HB GLU 32 -0.829 1.745 5.764 224 HB3 GLU 32 1HB GLU 32 0.159 1.890 4.313 225 HG2 GLU 32 2HG GLU 32 -1.676 2.528 2.981 226 HG3 GLU 32 1HG GLU 32 -2.842 1.905 4.145 227 H ARG 33 H ARG 33 -2.742 -0.855 5.968 228 HA ARG 33 HA ARG 33 -4.725 -1.781 4.138 229 HB2 ARG 33 2HB ARG 33 -6.008 -2.279 6.041 230 HB3 ARG 33 1HB ARG 33 -4.344 -2.436 6.582 231 HG2 ARG 33 2HG ARG 33 -6.407 -0.409 7.339 232 HG3 ARG 33 1HG ARG 33 -5.182 -1.180 8.327 233 HD2 ARG 33 2HD ARG 33 -3.689 0.371 6.545 234 HD3 ARG 33 1HD ARG 33 -5.070 1.383 6.916 235 HE ARG 33 HE ARG 33 -3.136 0.314 8.911 236 HH11 ARG 33 1HH2 ARG 33 -5.742 2.402 8.005 237 HH12 ARG 33 2HH2 ARG 33 -5.611 3.379 9.426 238 HH21 ARG 33 2HH1 ARG 33 -2.971 1.585 10.763 239 HH22 ARG 33 1HH1 ARG 33 -4.051 2.923 10.977 240 H LYS 34 H LYS 34 -4.519 0.579 2.959 241 HA LYS 34 HA LYS 34 -5.912 2.786 3.991 242 HB2 LYS 34 2HB LYS 34 -5.021 1.902 1.377 243 HB3 LYS 34 1HB LYS 34 -6.571 2.720 1.258 244 HG2 LYS 34 2HG LYS 34 -4.357 3.949 2.894 245 HG3 LYS 34 1HG LYS 34 -4.369 4.134 1.142 246 HD2 LYS 34 2HD LYS 34 -6.960 4.656 2.515 247 HD3 LYS 34 1HD LYS 34 -5.682 5.834 2.800 248 HE2 LYS 34 2HE LYS 34 -7.026 6.482 0.846 249 HE3 LYS 34 1HE LYS 34 -5.378 6.090 0.355 250 HZ1 LYS 34 3HZ LYS 34 -7.558 4.089 0.310 251 HZ2 LYS 34 1HZ LYS 34 -6.052 4.015 -0.463 252 HZ3 LYS 34 2HZ LYS 34 -7.236 5.102 -1.015 253 H TRP 35 H TRP 35 -7.199 -0.251 3.557 254 HA TRP 35 HA TRP 35 -9.945 0.880 3.135 255 HB2 TRP 35 2HB TRP 35 -9.122 -1.973 2.580 256 HB3 TRP 35 1HB TRP 35 -10.570 -1.127 2.028 257 HD1 TRP 35 HD TRP 35 -6.753 -1.112 1.529 258 HE1 TRP 35 1HE TRP 35 -6.232 -0.122 -0.793 259 HE3 TRP 35 3HE TRP 35 -11.455 0.269 0.076 260 HZ2 TRP 35 2HZ TRP 35 -7.619 1.098 -2.974 261 HZ3 TRP 35 3HZ TRP 35 -11.823 1.341 -2.129 262 HH2 TRP 35 HH TRP 35 -9.912 1.756 -3.654 263 H LYS 36 H LYS 36 -11.546 -1.071 3.994 264 HA LYS 36 HA LYS 36 -11.541 -0.848 6.805 265 HB2 LYS 36 2HB LYS 36 -12.918 -2.718 4.890 266 HB3 LYS 36 1HB LYS 36 -13.130 -2.906 6.627 267 HG2 LYS 36 2HG LYS 36 -13.517 -0.218 5.320 268 HG3 LYS 36 1HG LYS 36 -14.816 -1.408 5.321 269 HD2 LYS 36 2HD LYS 36 -13.394 -0.607 7.870 270 HD3 LYS 36 1HD LYS 36 -14.792 0.276 7.266 271 HE2 LYS 36 2HE LYS 36 -16.054 -1.912 7.224 272 HE3 LYS 36 1HE LYS 36 -14.677 -2.652 8.037 273 HZ1 LYS 36 3HZ LYS 36 -16.284 -1.996 9.658 274 HZ2 LYS 36 1HZ LYS 36 -16.331 -0.412 9.054 275 HZ3 LYS 36 2HZ LYS 36 -14.923 -0.990 9.809 276 H TYR 37 H TYR 37 -9.074 -2.203 5.400 277 HA TYR 37 HA TYR 37 -7.618 -3.975 5.930 278 HB2 TYR 37 2HB TYR 37 -7.630 -4.472 8.534 279 HB3 TYR 37 1HB TYR 37 -7.048 -2.936 7.911 280 HD1 TYR 37 2HD TYR 37 -8.564 -0.920 7.930 281 HD2 TYR 37 1HD TYR 37 -9.593 -4.592 9.915 282 HE1 TYR 37 2HE TYR 37 -10.263 0.280 9.273 283 HE2 TYR 37 1HE TYR 37 -11.294 -3.382 11.262 284 HH TYR 37 HH TYR 37 -12.424 -1.453 11.496 285 H LEU 38 H LEU 38 -10.895 -4.639 6.113 286 HA LEU 38 HA LEU 38 -10.456 -7.401 6.985 287 HB2 LEU 38 2HB LEU 38 -12.953 -5.807 6.446 288 HB3 LEU 38 1HB LEU 38 -13.009 -7.555 6.606 289 HG LEU 38 HG LEU 38 -12.538 -5.466 8.688 290 HD11 LEU 38 1HD1 LEU 38 -14.652 -6.826 8.325 291 HD12 LEU 38 2HD1 LEU 38 -13.995 -6.872 9.960 292 HD13 LEU 38 3HD1 LEU 38 -13.740 -8.235 8.871 293 HD21 LEU 38 3HD2 LEU 38 -11.542 -7.271 10.180 294 HD22 LEU 38 1HD2 LEU 38 -10.448 -6.628 8.956 295 HD23 LEU 38 2HD2 LEU 38 -11.221 -8.201 8.719 296 H PHE 39 H PHE 39 -12.294 -5.924 4.301 297 HA PHE 39 HA PHE 39 -10.913 -7.281 2.232 298 HB2 PHE 39 2HB PHE 39 -12.422 -9.060 3.755 299 HB3 PHE 39 1HB PHE 39 -13.461 -8.714 2.382 300 HD1 PHE 39 2HD PHE 39 -11.476 -8.253 0.228 301 HD2 PHE 39 1HD PHE 39 -11.572 -11.214 3.339 302 HE1 PHE 39 2HE PHE 39 -10.134 -9.783 -1.188 303 HE2 PHE 39 1HE PHE 39 -10.229 -12.744 1.922 304 HZ PHE 39 HZ PHE 39 -9.511 -12.029 -0.340 305 H THR 40 H THR 40 -14.352 -7.074 2.855 306 HA THR 40 HA THR 40 -16.074 -5.912 1.751 307 HB THR 40 HB THR 40 -14.558 -3.736 0.602 308 HG1 THR 40 1HG THR 40 -13.651 -4.786 3.007 309 HG21 THR 40 3HG2 THR 40 -16.814 -3.456 1.411 310 HG22 THR 40 1HG2 THR 40 -15.758 -2.461 2.416 311 HG23 THR 40 2HG2 THR 40 -16.358 -4.004 3.025 312 H GLY 41 H GLY 41 -15.976 -7.772 0.218 313 HA2 GLY 41 2HA GLY 41 -16.168 -8.456 -2.036 314 HA3 GLY 41 1HA GLY 41 -15.691 -6.826 -2.525 315 H GLU 42 H GLU 42 -14.493 -8.651 -4.019 316 HA GLU 42 HA GLU 42 -11.970 -9.489 -2.764 317 HB2 GLU 42 2HB GLU 42 -12.153 -9.991 -5.624 318 HB3 GLU 42 1HB GLU 42 -12.051 -11.128 -4.291 319 HG2 GLU 42 2HG GLU 42 -14.507 -10.828 -3.894 320 HG3 GLU 42 1HG GLU 42 -14.568 -9.859 -5.368 321 H CYS 43 H CYS 43 -10.029 -8.508 -3.177 322 HA CYS 43 HA CYS 43 -9.732 -5.872 -3.934 323 HB2 CYS 43 2HB CYS 43 -7.404 -7.077 -4.940 324 HB3 CYS 43 1HB CYS 43 -7.643 -6.511 -3.286 325 HXT CYS 43 2HT CYS 43 -10.754 -7.521 -7.153 Start of MODEL 12 1 H1 CYS 1 1H CYS 1 4.950 -10.714 -1.090 2 H2 CYS 1 2H CYS 1 3.367 -11.010 -0.604 3 H3 CYS 1 3H CYS 1 3.729 -10.847 -2.239 4 HA CYS 1 HA CYS 1 4.334 -8.540 -1.917 5 HB2 CYS 1 2HB CYS 1 1.969 -7.842 -1.033 6 HB3 CYS 1 1HB CYS 1 2.094 -8.698 -2.564 7 H GLY 2 H GLY 2 4.421 -6.709 -0.426 8 HA2 GLY 2 2HA GLY 2 5.523 -7.436 2.129 9 HA3 GLY 2 1HA GLY 2 5.165 -5.799 1.588 10 H SER 3 H SER 3 2.589 -5.531 1.410 11 HA SER 3 HA SER 3 0.446 -5.632 2.452 12 HB2 SER 3 2HB SER 3 0.857 -7.998 3.106 13 HB3 SER 3 1HB SER 3 1.757 -7.440 4.508 14 HG SER 3 HG SER 3 -0.989 -7.201 3.927 15 H LYS 4 H LYS 4 -0.129 -5.419 5.157 16 HA LYS 4 HA LYS 4 0.419 -2.737 5.757 17 HB2 LYS 4 2HB LYS 4 -1.191 -4.477 6.880 18 HB3 LYS 4 1HB LYS 4 0.155 -4.773 7.965 19 HG2 LYS 4 2HG LYS 4 0.188 -2.432 8.638 20 HG3 LYS 4 1HG LYS 4 -1.059 -2.036 7.454 21 HD2 LYS 4 2HD LYS 4 -2.638 -3.547 8.598 22 HD3 LYS 4 1HD LYS 4 -1.398 -3.966 9.775 23 HE2 LYS 4 2HE LYS 4 -1.280 -1.466 10.325 24 HE3 LYS 4 1HE LYS 4 -2.767 -1.294 9.389 25 HZ1 LYS 4 3HZ LYS 4 -2.874 -3.478 11.240 26 HZ2 LYS 4 1HZ LYS 4 -3.963 -2.198 11.018 27 HZ3 LYS 4 2HZ LYS 4 -2.607 -1.991 12.020 28 H ARG 5 H ARG 5 2.198 -1.687 6.584 29 HA ARG 5 HA ARG 5 4.423 -1.442 7.351 30 HB2 ARG 5 2HB ARG 5 3.006 -2.633 9.287 31 HB3 ARG 5 1HB ARG 5 4.079 -3.979 8.929 32 HG2 ARG 5 2HG ARG 5 6.030 -2.479 9.291 33 HG3 ARG 5 1HG ARG 5 4.917 -1.180 9.734 34 HD2 ARG 5 2HD ARG 5 5.252 -3.847 11.133 35 HD3 ARG 5 1HD ARG 5 5.639 -2.253 11.785 36 HE ARG 5 HE ARG 5 3.040 -1.875 11.357 37 HH11 ARG 5 1HH2 ARG 5 4.690 -4.700 12.474 38 HH12 ARG 5 2HH2 ARG 5 3.320 -5.319 13.332 39 HH21 ARG 5 2HH1 ARG 5 1.248 -2.675 12.459 40 HH22 ARG 5 1HH1 ARG 5 1.371 -4.170 13.326 41 H ALA 6 H ALA 6 5.095 -2.130 5.082 42 HA ALA 6 HA ALA 6 7.027 -4.262 5.159 43 HB1 ALA 6 1HB ALA 6 4.544 -4.871 3.536 44 HB2 ALA 6 2HB ALA 6 4.842 -5.559 5.134 45 HB3 ALA 6 3HB ALA 6 5.934 -5.925 3.804 46 H TRP 7 H TRP 7 8.491 -3.781 3.599 47 HA TRP 7 HA TRP 7 8.257 -1.651 1.799 48 HB2 TRP 7 2HB TRP 7 10.436 -2.462 2.247 49 HB3 TRP 7 1HB TRP 7 10.060 -4.110 1.791 50 HD1 TRP 7 HD TRP 7 10.366 -0.620 0.170 51 HE1 TRP 7 1HE TRP 7 11.043 -0.948 -2.296 52 HE3 TRP 7 3HE TRP 7 10.219 -5.710 -0.102 53 HZ2 TRP 7 2HZ TRP 7 11.469 -3.103 -4.145 54 HZ3 TRP 7 3HZ TRP 7 10.767 -6.877 -2.217 55 HH2 TRP 7 HH TRP 7 11.392 -5.583 -4.236 56 H CYS 8 H CYS 8 6.903 -1.425 0.128 57 HA CYS 8 HA CYS 8 6.020 -3.863 -1.422 58 HB2 CYS 8 2HB CYS 8 3.980 -2.927 -0.950 59 HB3 CYS 8 1HB CYS 8 4.686 -1.361 -0.547 60 H LYS 9 H LYS 9 6.174 -3.673 -3.768 61 HA LYS 9 HA LYS 9 8.233 -1.727 -4.647 62 HB2 LYS 9 2HB LYS 9 8.497 -4.101 -5.274 63 HB3 LYS 9 1HB LYS 9 6.961 -4.046 -6.126 64 HG2 LYS 9 2HG LYS 9 7.836 -2.317 -7.638 65 HG3 LYS 9 1HG LYS 9 9.382 -2.344 -6.788 66 HD2 LYS 9 2HD LYS 9 8.191 -4.856 -7.975 67 HD3 LYS 9 1HD LYS 9 9.183 -3.765 -8.943 68 HE2 LYS 9 2HE LYS 9 11.084 -4.556 -8.008 69 HE3 LYS 9 1HE LYS 9 10.454 -4.324 -6.379 70 HZ1 LYS 9 3HZ LYS 9 9.318 -6.533 -7.888 71 HZ2 LYS 9 1HZ LYS 9 9.740 -6.439 -6.249 72 HZ3 LYS 9 2HZ LYS 9 10.942 -6.708 -7.420 73 H GLU 10 H GLU 10 4.846 -2.560 -5.217 74 HA GLU 10 HA GLU 10 4.339 0.106 -6.311 75 HB2 GLU 10 2HB GLU 10 3.173 -1.129 -8.354 76 HB3 GLU 10 1HB GLU 10 4.884 -0.706 -8.421 77 HG2 GLU 10 2HG GLU 10 5.585 -2.899 -8.034 78 HG3 GLU 10 1HG GLU 10 4.064 -3.342 -7.258 79 H LYS 11 H LYS 11 1.830 -0.239 -7.312 80 HA LYS 11 HA LYS 11 0.225 -0.609 -4.987 81 HB2 LYS 11 2HB LYS 11 -0.439 0.674 -7.047 82 HB3 LYS 11 1HB LYS 11 -0.647 -0.863 -7.883 83 HG2 LYS 11 2HG LYS 11 -2.814 -0.611 -7.157 84 HG3 LYS 11 1HG LYS 11 -2.167 -1.363 -5.699 85 HD2 LYS 11 2HD LYS 11 -1.620 1.006 -4.898 86 HD3 LYS 11 1HD LYS 11 -2.631 1.578 -6.225 87 HE2 LYS 11 2HE LYS 11 -3.417 0.087 -3.748 88 HE3 LYS 11 1HE LYS 11 -4.211 1.455 -4.529 89 HZ1 LYS 11 3HZ LYS 11 -5.552 -0.416 -4.945 90 HZ2 LYS 11 1HZ LYS 11 -4.228 -1.385 -5.373 91 HZ3 LYS 11 2HZ LYS 11 -4.724 -0.126 -6.400 92 H LYS 12 H LYS 12 0.741 -2.738 -7.797 93 HA LYS 12 HA LYS 12 -0.874 -4.873 -6.767 94 HB2 LYS 12 2HB LYS 12 -0.020 -4.339 -9.198 95 HB3 LYS 12 1HB LYS 12 1.345 -5.351 -8.724 96 HG2 LYS 12 2HG LYS 12 -0.126 -7.207 -8.219 97 HG3 LYS 12 1HG LYS 12 -1.553 -6.202 -8.470 98 HD2 LYS 12 2HD LYS 12 -0.844 -5.857 -10.841 99 HD3 LYS 12 1HD LYS 12 0.486 -6.987 -10.570 100 HE2 LYS 12 2HE LYS 12 -2.405 -7.705 -10.048 101 HE3 LYS 12 1HE LYS 12 -1.613 -8.001 -11.597 102 HZ1 LYS 12 3HZ LYS 12 -1.281 -9.352 -9.060 103 HZ2 LYS 12 1HZ LYS 12 0.167 -9.011 -9.872 104 HZ3 LYS 12 2HZ LYS 12 -1.039 -9.929 -10.640 105 H ASP 13 H ASP 13 2.674 -4.329 -6.683 106 HA ASP 13 HA ASP 13 3.452 -6.841 -5.662 107 HB2 ASP 13 2HB ASP 13 5.006 -4.931 -6.287 108 HB3 ASP 13 1HB ASP 13 4.661 -4.239 -4.705 109 H CYS 14 H CYS 14 1.498 -4.475 -4.135 110 HA CYS 14 HA CYS 14 2.187 -5.441 -1.429 111 HB2 CYS 14 2HB CYS 14 1.640 -3.051 -1.733 112 HB3 CYS 14 1HB CYS 14 0.027 -3.483 -2.283 113 H CYS 15 H CYS 15 0.780 -6.675 -0.148 114 HA CYS 15 HA CYS 15 -0.688 -8.679 -1.428 115 HB2 CYS 15 2HB CYS 15 -0.810 -7.554 1.370 116 HB3 CYS 15 1HB CYS 15 -1.721 -8.957 0.876 117 H CYS 16 H CYS 16 -2.774 -8.805 -2.180 118 HA CYS 16 HA CYS 16 -4.248 -6.460 -2.705 119 HB2 CYS 16 2HB CYS 16 -4.585 -9.287 -3.125 120 HB3 CYS 16 1HB CYS 16 -6.094 -8.637 -2.500 121 H GLY 17 H GLY 17 -5.378 -5.197 -1.384 122 HA2 GLY 17 2HA GLY 17 -7.246 -5.165 0.315 123 HA3 GLY 17 1HA GLY 17 -6.300 -6.334 1.227 124 H TYR 18 H TYR 18 -3.964 -4.519 -0.105 125 HA TYR 18 HA TYR 18 -4.026 -2.508 2.187 126 HB2 TYR 18 2HB TYR 18 -1.760 -4.170 1.094 127 HB3 TYR 18 1HB TYR 18 -1.524 -2.868 2.251 128 HD1 TYR 18 1HD TYR 18 -2.565 -3.057 4.542 129 HD2 TYR 18 2HD TYR 18 -2.676 -6.263 1.693 130 HE1 TYR 18 1HE TYR 18 -3.225 -4.636 6.340 131 HE2 TYR 18 2HE TYR 18 -3.324 -7.846 3.490 132 HH TYR 18 HH TYR 18 -3.386 -8.099 5.781 133 H ASN 19 H ASN 19 -3.032 -0.458 1.747 134 HA ASN 19 HA ASN 19 -2.843 0.162 -1.168 135 HB2 ASN 19 2HB ASN 19 -3.109 2.455 -0.565 136 HB3 ASN 19 1HB ASN 19 -4.238 1.574 0.450 137 HD21 ASN 19 1HD2 ASN 19 -1.794 3.907 0.573 138 HD22 ASN 19 2HD2 ASN 19 -1.429 3.792 2.228 139 H CYS 20 H CYS 20 -0.876 0.602 -2.089 140 HA CYS 20 HA CYS 20 1.498 0.380 -0.337 141 HB2 CYS 20 2HB CYS 20 1.437 -0.963 -2.397 142 HB3 CYS 20 1HB CYS 20 1.247 0.504 -3.352 143 H VAL 21 H VAL 21 2.591 2.154 0.302 144 HA VAL 21 HA VAL 21 2.256 4.661 -1.296 145 HB VAL 21 HB VAL 21 1.234 4.566 1.105 146 HG11 VAL 21 1HG1 VAL 21 3.304 3.528 2.108 147 HG12 VAL 21 2HG1 VAL 21 2.735 4.980 2.937 148 HG13 VAL 21 3HG1 VAL 21 4.127 5.073 1.855 149 HG21 VAL 21 3HG2 VAL 21 1.242 6.684 0.166 150 HG22 VAL 21 1HG2 VAL 21 2.988 6.680 -0.095 151 HG23 VAL 21 2HG2 VAL 21 2.338 6.941 1.524 152 H TYR 22 H TYR 22 4.067 5.026 -2.393 153 HA TYR 22 HA TYR 22 6.630 3.846 -1.449 154 HB2 TYR 22 2HB TYR 22 5.729 4.233 -3.898 155 HB3 TYR 22 1HB TYR 22 6.343 5.868 -3.672 156 HD1 TYR 22 2HD TYR 22 8.797 6.120 -2.900 157 HD2 TYR 22 1HD TYR 22 7.168 2.491 -4.516 158 HE1 TYR 22 2HE TYR 22 11.086 5.323 -3.419 159 HE2 TYR 22 1HE TYR 22 9.455 1.690 -5.036 160 HH TYR 22 HH TYR 22 12.132 2.850 -3.701 161 H ALA 23 H ALA 23 7.669 4.908 0.234 162 HA ALA 23 HA ALA 23 7.148 7.769 0.664 163 HB1 ALA 23 1HB ALA 23 9.185 7.002 2.424 164 HB2 ALA 23 2HB ALA 23 8.209 5.548 2.235 165 HB3 ALA 23 3HB ALA 23 7.459 7.043 2.781 166 H TRP 24 H TRP 24 8.089 8.733 -1.139 167 HA TRP 24 HA TRP 24 10.565 8.344 -2.317 168 HB2 TRP 24 2HB TRP 24 10.423 11.052 -2.417 169 HB3 TRP 24 1HB TRP 24 9.427 9.998 -3.422 170 HD1 TRP 24 HD TRP 24 8.807 10.429 0.336 171 HE1 TRP 24 1HE TRP 24 6.503 11.512 0.678 172 HE3 TRP 24 3HE TRP 24 7.618 11.522 -4.511 173 HZ2 TRP 24 2HZ TRP 24 4.435 12.687 -0.878 174 HZ3 TRP 24 3HZ TRP 24 5.469 12.632 -5.044 175 HH2 TRP 24 HH TRP 24 3.875 13.215 -3.235 176 H TYR 25 H TYR 25 9.934 9.568 0.919 177 HA TYR 25 HA TYR 25 12.560 10.914 1.057 178 HB2 TYR 25 2HB TYR 25 11.953 11.621 3.171 179 HB3 TYR 25 1HB TYR 25 10.381 11.404 2.414 180 HD1 TYR 25 2HD TYR 25 8.982 9.422 2.969 181 HD2 TYR 25 1HD TYR 25 12.709 10.201 4.956 182 HE1 TYR 25 2HE TYR 25 8.354 7.837 4.768 183 HE2 TYR 25 1HE TYR 25 12.080 8.620 6.759 184 HH TYR 25 HH TYR 25 10.260 6.404 6.703 185 H ASN 26 H ASN 26 11.334 7.765 2.336 186 HA ASN 26 HA ASN 26 14.183 7.133 3.004 187 HB2 ASN 26 2HB ASN 26 13.364 5.327 4.391 188 HB3 ASN 26 1HB ASN 26 12.526 6.809 4.834 189 HD21 ASN 26 1HD2 ASN 26 11.385 5.722 1.821 190 HD22 ASN 26 2HD2 ASN 26 10.070 4.896 2.366 191 H GLN 27 H GLN 27 12.379 6.944 0.402 192 HA GLN 27 HA GLN 27 12.374 5.593 -1.503 193 HB2 GLN 27 2HB GLN 27 14.869 4.498 -0.177 194 HB3 GLN 27 1HB GLN 27 14.421 4.258 -1.865 195 HG2 GLN 27 2HG GLN 27 14.868 6.963 -0.565 196 HG3 GLN 27 1HG GLN 27 16.038 6.126 -1.585 197 HE21 GLN 27 1HE2 GLN 27 14.133 8.665 -1.881 198 HE22 GLN 27 2HE2 GLN 27 13.527 8.467 -3.455 199 H GLN 28 H GLN 28 11.304 4.491 1.262 200 HA GLN 28 HA GLN 28 11.076 1.645 0.331 201 HB2 GLN 28 2HB GLN 28 11.071 2.788 3.136 202 HB3 GLN 28 1HB GLN 28 10.605 1.127 2.762 203 HG2 GLN 28 2HG GLN 28 12.819 0.714 1.771 204 HG3 GLN 28 1HG GLN 28 13.291 2.380 2.112 205 HE21 GLN 28 1HE2 GLN 28 14.847 2.087 3.769 206 HE22 GLN 28 2HE2 GLN 28 14.528 1.281 5.229 207 H SER 29 H SER 29 8.998 0.817 0.118 208 HA SER 29 HA SER 29 6.782 2.758 0.490 209 HB2 SER 29 2HB SER 29 6.576 0.044 -0.807 210 HB3 SER 29 1HB SER 29 5.512 1.433 -1.018 211 HG SER 29 HG SER 29 6.801 2.089 -2.533 212 H SER 30 H SER 30 5.295 2.501 2.103 213 HA SER 30 HA SER 30 5.365 -0.015 3.646 214 HB2 SER 30 2HB SER 30 6.215 1.960 4.895 215 HB3 SER 30 1HB SER 30 4.662 2.749 4.640 216 HG SER 30 HG SER 30 3.689 1.235 5.904 217 H CYS 31 H CYS 31 3.577 -1.153 2.892 218 HA CYS 31 HA CYS 31 1.196 0.131 1.987 219 HB2 CYS 31 2HB CYS 31 2.151 -2.538 2.163 220 HB3 CYS 31 1HB CYS 31 0.587 -2.498 2.970 221 H GLU 32 H GLU 32 -0.900 0.216 3.021 222 HA GLU 32 HA GLU 32 -0.894 -0.160 5.969 223 HB2 GLU 32 2HB GLU 32 -1.548 2.431 4.549 224 HB3 GLU 32 1HB GLU 32 -1.932 2.108 6.241 225 HG2 GLU 32 2HG GLU 32 0.473 1.712 6.693 226 HG3 GLU 32 1HG GLU 32 0.838 2.083 5.009 227 H ARG 33 H ARG 33 -2.838 -0.824 6.730 228 HA ARG 33 HA ARG 33 -4.918 -1.549 4.847 229 HB2 ARG 33 2HB ARG 33 -4.848 -3.087 6.565 230 HB3 ARG 33 1HB ARG 33 -4.398 -1.889 7.769 231 HG2 ARG 33 2HG ARG 33 -7.134 -1.565 6.635 232 HG3 ARG 33 1HG ARG 33 -6.877 -3.024 7.582 233 HD2 ARG 33 2HD ARG 33 -5.792 -0.537 8.793 234 HD3 ARG 33 1HD ARG 33 -7.548 -0.640 8.694 235 HE ARG 33 HE ARG 33 -6.415 -3.078 9.769 236 HH11 ARG 33 1HH2 ARG 33 -7.317 0.184 10.370 237 HH12 ARG 33 2HH2 ARG 33 -7.504 -0.029 12.080 238 HH21 ARG 33 2HH1 ARG 33 -6.656 -3.401 12.006 239 HH22 ARG 33 1HH1 ARG 33 -7.121 -2.068 13.010 240 H LYS 34 H LYS 34 -5.562 0.596 3.990 241 HA LYS 34 HA LYS 34 -7.302 2.031 5.880 242 HB2 LYS 34 2HB LYS 34 -6.098 3.618 3.681 243 HB3 LYS 34 1HB LYS 34 -6.565 4.124 5.297 244 HG2 LYS 34 2HG LYS 34 -4.617 3.039 6.257 245 HG3 LYS 34 1HG LYS 34 -4.183 2.367 4.685 246 HD2 LYS 34 2HD LYS 34 -2.811 4.289 4.915 247 HD3 LYS 34 1HD LYS 34 -4.111 4.779 3.833 248 HE2 LYS 34 2HE LYS 34 -5.250 5.952 5.583 249 HE3 LYS 34 1HE LYS 34 -4.222 5.236 6.823 250 HZ1 LYS 34 3HZ LYS 34 -2.569 6.681 6.406 251 HZ2 LYS 34 1HZ LYS 34 -3.805 7.640 5.748 252 HZ3 LYS 34 2HZ LYS 34 -2.837 6.686 4.729 253 H TRP 35 H TRP 35 -6.770 0.741 2.773 254 HA TRP 35 HA TRP 35 -9.554 1.464 1.947 255 HB2 TRP 35 2HB TRP 35 -7.316 0.784 0.025 256 HB3 TRP 35 1HB TRP 35 -8.849 1.583 -0.320 257 HD1 TRP 35 HD TRP 35 -5.723 2.243 1.871 258 HE1 TRP 35 1HE TRP 35 -5.235 4.777 1.828 259 HE3 TRP 35 3HE TRP 35 -9.593 3.837 -1.053 260 HZ2 TRP 35 2HZ TRP 35 -6.346 7.167 0.701 261 HZ3 TRP 35 3HZ TRP 35 -9.857 6.241 -1.593 262 HH2 TRP 35 HH TRP 35 -8.241 7.907 -0.723 263 H LYS 36 H LYS 36 -9.812 -0.287 -0.148 264 HA LYS 36 HA LYS 36 -10.605 -2.524 -0.385 265 HB2 LYS 36 2HB LYS 36 -7.802 -3.190 0.486 266 HB3 LYS 36 1HB LYS 36 -8.752 -3.932 -0.797 267 HG2 LYS 36 2HG LYS 36 -8.141 -2.357 -2.332 268 HG3 LYS 36 1HG LYS 36 -8.215 -1.040 -1.166 269 HD2 LYS 36 2HD LYS 36 -6.079 -1.832 -0.165 270 HD3 LYS 36 1HD LYS 36 -5.989 -3.082 -1.402 271 HE2 LYS 36 2HE LYS 36 -6.342 -0.247 -2.302 272 HE3 LYS 36 1HE LYS 36 -4.755 -0.750 -1.722 273 HZ1 LYS 36 3HZ LYS 36 -6.039 -1.381 -4.170 274 HZ2 LYS 36 1HZ LYS 36 -5.623 -2.794 -3.331 275 HZ3 LYS 36 2HZ LYS 36 -4.427 -1.645 -3.700 276 H TYR 37 H TYR 37 -10.694 -1.368 2.501 277 HA TYR 37 HA TYR 37 -10.222 -3.960 3.957 278 HB2 TYR 37 2HB TYR 37 -9.343 -1.630 4.751 279 HB3 TYR 37 1HB TYR 37 -10.997 -1.409 5.325 280 HD1 TYR 37 1HD TYR 37 -8.382 -4.098 5.279 281 HD2 TYR 37 2HD TYR 37 -11.440 -2.084 7.523 282 HE1 TYR 37 1HE TYR 37 -7.901 -5.549 7.229 283 HE2 TYR 37 2HE TYR 37 -10.955 -3.531 9.477 284 HH TYR 37 HH TYR 37 -8.423 -6.039 9.324 285 H LEU 38 H LEU 38 -12.731 -1.836 2.957 286 HA LEU 38 HA LEU 38 -14.983 -1.838 4.062 287 HB2 LEU 38 2HB LEU 38 -14.698 -2.303 1.566 288 HB3 LEU 38 1HB LEU 38 -14.885 -4.004 1.956 289 HG LEU 38 HG LEU 38 -17.134 -3.813 1.986 290 HD11 LEU 38 1HD1 LEU 38 -17.047 -3.055 4.337 291 HD12 LEU 38 2HD1 LEU 38 -18.365 -2.291 3.465 292 HD13 LEU 38 3HD1 LEU 38 -16.898 -1.385 3.792 293 HD21 LEU 38 3HD2 LEU 38 -16.302 -1.723 0.402 294 HD22 LEU 38 1HD2 LEU 38 -17.355 -0.895 1.546 295 HD23 LEU 38 2HD2 LEU 38 -17.976 -2.235 0.584 296 H PHE 39 H PHE 39 -15.850 -4.915 3.175 297 HA PHE 39 HA PHE 39 -16.431 -5.726 5.827 298 HB2 PHE 39 2HB PHE 39 -17.677 -6.684 3.990 299 HB3 PHE 39 1HB PHE 39 -16.203 -7.352 3.294 300 HD1 PHE 39 1HD PHE 39 -17.014 -7.333 6.939 301 HD2 PHE 39 2HD PHE 39 -16.802 -9.662 3.331 302 HE1 PHE 39 1HE PHE 39 -17.305 -9.402 8.259 303 HE2 PHE 39 2HE PHE 39 -17.097 -11.735 4.659 304 HZ PHE 39 HZ PHE 39 -17.345 -11.606 7.122 305 H THR 40 H THR 40 -13.820 -6.602 3.694 306 HA THR 40 HA THR 40 -12.101 -7.246 5.987 307 HB THR 40 HB THR 40 -13.030 -9.414 5.744 308 HG1 THR 40 1HG THR 40 -10.748 -9.366 5.696 309 HG21 THR 40 3HG2 THR 40 -12.515 -9.809 2.873 310 HG22 THR 40 1HG2 THR 40 -13.760 -8.606 3.198 311 HG23 THR 40 2HG2 THR 40 -13.929 -10.244 3.827 312 H GLY 41 H GLY 41 -11.421 -8.654 2.935 313 HA2 GLY 41 2HA GLY 41 -9.310 -6.590 2.497 314 HA3 GLY 41 1HA GLY 41 -9.224 -8.250 1.913 315 H GLU 42 H GLU 42 -10.233 -8.778 -0.047 316 HA GLU 42 HA GLU 42 -11.167 -8.376 -2.155 317 HB2 GLU 42 2HB GLU 42 -13.296 -7.746 -1.660 318 HB3 GLU 42 1HB GLU 42 -12.778 -6.815 -0.261 319 HG2 GLU 42 2HG GLU 42 -13.794 -5.254 -1.749 320 HG3 GLU 42 1HG GLU 42 -12.070 -4.986 -1.915 321 H CYS 43 H CYS 43 -9.544 -7.707 -3.511 322 HA CYS 43 HA CYS 43 -9.091 -4.801 -3.782 323 HB2 CYS 43 2HB CYS 43 -7.223 -4.864 -2.499 324 HB3 CYS 43 1HB CYS 43 -7.200 -6.623 -2.486 325 HXT CYS 43 2HT CYS 43 -8.687 -5.628 -7.069 Start of MODEL 13 1 H1 CYS 1 1H CYS 1 5.605 -10.078 -0.663 2 H2 CYS 1 2H CYS 1 4.172 -10.768 -0.115 3 H3 CYS 1 3H CYS 1 4.547 -10.798 -1.754 4 HA CYS 1 HA CYS 1 4.386 -8.398 -1.887 5 HB2 CYS 1 2HB CYS 1 1.923 -8.264 -1.479 6 HB3 CYS 1 1HB CYS 1 2.369 -9.738 -2.335 7 H GLY 2 H GLY 2 4.142 -6.401 -0.731 8 HA2 GLY 2 2HA GLY 2 4.831 -6.544 2.108 9 HA3 GLY 2 1HA GLY 2 4.617 -5.066 1.168 10 H SER 3 H SER 3 3.424 -6.367 3.798 11 HA SER 3 HA SER 3 0.564 -5.746 3.163 12 HB2 SER 3 2HB SER 3 -0.104 -7.265 4.792 13 HB3 SER 3 1HB SER 3 1.350 -8.052 4.184 14 HG SER 3 HG SER 3 0.872 -7.386 6.636 15 H LYS 4 H LYS 4 -0.182 -5.366 5.917 16 HA LYS 4 HA LYS 4 -0.031 -2.670 6.324 17 HB2 LYS 4 2HB LYS 4 -1.080 -4.453 7.873 18 HB3 LYS 4 1HB LYS 4 0.496 -4.513 8.661 19 HG2 LYS 4 2HG LYS 4 -0.072 -1.766 8.421 20 HG3 LYS 4 1HG LYS 4 -1.601 -2.500 8.899 21 HD2 LYS 4 2HD LYS 4 -0.372 -3.683 10.750 22 HD3 LYS 4 1HD LYS 4 1.060 -2.745 10.323 23 HE2 LYS 4 2HE LYS 4 -0.362 -0.656 10.607 24 HE3 LYS 4 1HE LYS 4 -1.600 -1.697 11.310 25 HZ1 LYS 4 3HZ LYS 4 1.126 -1.913 12.344 26 HZ2 LYS 4 1HZ LYS 4 -0.354 -2.104 13.149 27 HZ3 LYS 4 2HZ LYS 4 0.219 -0.546 12.785 28 H ARG 5 H ARG 5 1.662 -1.268 6.334 29 HA ARG 5 HA ARG 5 3.860 -0.499 6.526 30 HB2 ARG 5 2HB ARG 5 3.319 -2.030 9.038 31 HB3 ARG 5 1HB ARG 5 4.994 -1.593 8.709 32 HG2 ARG 5 2HG ARG 5 3.973 0.805 8.261 33 HG3 ARG 5 1HG ARG 5 2.634 0.197 9.237 34 HD2 ARG 5 2HD ARG 5 4.449 -0.534 10.928 35 HD3 ARG 5 1HD ARG 5 5.531 0.520 10.023 36 HE ARG 5 HE ARG 5 3.039 1.805 10.897 37 HH11 ARG 5 1HH2 ARG 5 6.350 1.042 11.489 38 HH12 ARG 5 2HH2 ARG 5 6.560 2.270 12.690 39 HH21 ARG 5 2HH1 ARG 5 3.294 3.405 12.496 40 HH22 ARG 5 1HH1 ARG 5 4.835 3.602 13.263 41 H ALA 6 H ALA 6 4.586 -1.601 4.627 42 HA ALA 6 HA ALA 6 6.728 -3.484 5.118 43 HB1 ALA 6 1HB ALA 6 4.311 -4.600 3.684 44 HB2 ALA 6 2HB ALA 6 4.686 -4.946 5.369 45 HB3 ALA 6 3HB ALA 6 5.790 -5.462 4.096 46 H TRP 7 H TRP 7 8.149 -3.302 3.524 47 HA TRP 7 HA TRP 7 8.141 -1.495 1.460 48 HB2 TRP 7 2HB TRP 7 10.174 -2.506 2.023 49 HB3 TRP 7 1HB TRP 7 9.518 -4.131 1.854 50 HD1 TRP 7 HD TRP 7 11.095 -1.321 -0.083 51 HE1 TRP 7 1HE TRP 7 11.556 -2.110 -2.499 52 HE3 TRP 7 3HE TRP 7 8.558 -5.741 -0.050 53 HZ2 TRP 7 2HZ TRP 7 10.923 -4.327 -4.179 54 HZ3 TRP 7 3HZ TRP 7 8.494 -7.175 -2.069 55 HH2 TRP 7 HH TRP 7 9.674 -6.476 -4.137 56 H CYS 8 H CYS 8 7.314 -1.372 -0.589 57 HA CYS 8 HA CYS 8 5.998 -3.802 -1.774 58 HB2 CYS 8 2HB CYS 8 4.012 -2.739 -1.678 59 HB3 CYS 8 1HB CYS 8 4.762 -1.341 -0.920 60 H LYS 9 H LYS 9 6.166 -3.898 -4.103 61 HA LYS 9 HA LYS 9 8.286 -2.120 -5.199 62 HB2 LYS 9 2HB LYS 9 8.287 -4.711 -5.442 63 HB3 LYS 9 1HB LYS 9 7.067 -4.447 -6.687 64 HG2 LYS 9 2HG LYS 9 8.601 -2.928 -7.881 65 HG3 LYS 9 1HG LYS 9 9.817 -3.160 -6.630 66 HD2 LYS 9 2HD LYS 9 8.673 -5.493 -8.174 67 HD3 LYS 9 1HD LYS 9 10.043 -4.570 -8.783 68 HE2 LYS 9 2HE LYS 9 10.592 -5.193 -6.053 69 HE3 LYS 9 1HE LYS 9 10.050 -6.673 -6.832 70 HZ1 LYS 9 3HZ LYS 9 12.193 -6.754 -7.468 71 HZ2 LYS 9 1HZ LYS 9 12.431 -5.081 -7.323 72 HZ3 LYS 9 2HZ LYS 9 11.665 -5.713 -8.702 73 H GLU 10 H GLU 10 4.963 -3.177 -5.917 74 HA GLU 10 HA GLU 10 4.552 -0.685 -7.515 75 HB2 GLU 10 2HB GLU 10 3.214 -3.272 -8.307 76 HB3 GLU 10 1HB GLU 10 3.503 -1.837 -9.285 77 HG2 GLU 10 2HG GLU 10 5.839 -2.346 -9.491 78 HG3 GLU 10 1HG GLU 10 5.731 -3.618 -8.276 79 H LYS 11 H LYS 11 2.169 -0.184 -7.718 80 HA LYS 11 HA LYS 11 0.891 -0.239 -5.200 81 HB2 LYS 11 2HB LYS 11 0.284 1.348 -7.017 82 HB3 LYS 11 1HB LYS 11 -0.472 0.022 -7.898 83 HG2 LYS 11 2HG LYS 11 -2.271 -0.095 -6.467 84 HG3 LYS 11 1HG LYS 11 -1.318 0.369 -5.058 85 HD2 LYS 11 2HD LYS 11 -2.824 2.181 -5.507 86 HD3 LYS 11 1HD LYS 11 -1.224 2.714 -6.019 87 HE2 LYS 11 2HE LYS 11 -1.748 2.301 -8.333 88 HE3 LYS 11 1HE LYS 11 -3.256 1.493 -7.905 89 HZ1 LYS 11 3HZ LYS 11 -3.558 3.848 -6.683 90 HZ2 LYS 11 1HZ LYS 11 -4.128 3.518 -8.246 91 HZ3 LYS 11 2HZ LYS 11 -2.645 4.322 -8.035 92 H LYS 12 H LYS 12 0.844 -2.583 -7.821 93 HA LYS 12 HA LYS 12 -1.273 -4.139 -6.485 94 HB2 LYS 12 2HB LYS 12 -0.251 -5.699 -8.527 95 HB3 LYS 12 1HB LYS 12 -1.648 -4.644 -8.652 96 HG2 LYS 12 2HG LYS 12 -0.090 -2.777 -9.304 97 HG3 LYS 12 1HG LYS 12 1.219 -3.957 -9.351 98 HD2 LYS 12 2HD LYS 12 -1.208 -4.738 -10.867 99 HD3 LYS 12 1HD LYS 12 -0.368 -3.326 -11.498 100 HE2 LYS 12 2HE LYS 12 0.372 -5.641 -12.370 101 HE3 LYS 12 1HE LYS 12 1.634 -4.525 -11.856 102 HZ1 LYS 12 3HZ LYS 12 0.457 -6.485 -9.986 103 HZ2 LYS 12 1HZ LYS 12 1.938 -5.666 -9.867 104 HZ3 LYS 12 2HZ LYS 12 1.744 -6.907 -11.012 105 H ASP 13 H ASP 13 2.087 -3.793 -6.237 106 HA ASP 13 HA ASP 13 2.694 -6.600 -5.706 107 HB2 ASP 13 2HB ASP 13 4.336 -4.715 -6.464 108 HB3 ASP 13 1HB ASP 13 4.424 -4.340 -4.743 109 H CYS 14 H CYS 14 0.981 -4.324 -3.924 110 HA CYS 14 HA CYS 14 2.033 -5.127 -1.308 111 HB2 CYS 14 2HB CYS 14 -0.131 -3.289 -2.298 112 HB3 CYS 14 1HB CYS 14 -0.148 -3.826 -0.635 113 H CYS 15 H CYS 15 0.995 -6.640 0.037 114 HA CYS 15 HA CYS 15 -0.380 -8.774 -1.044 115 HB2 CYS 15 2HB CYS 15 -0.728 -7.638 1.741 116 HB3 CYS 15 1HB CYS 15 -1.036 -9.282 1.232 117 H CYS 16 H CYS 16 -2.559 -9.283 -1.330 118 HA CYS 16 HA CYS 16 -4.383 -7.306 -2.098 119 HB2 CYS 16 2HB CYS 16 -4.442 -10.103 -1.780 120 HB3 CYS 16 1HB CYS 16 -5.772 -9.511 -0.789 121 H GLY 17 H GLY 17 -5.750 -5.929 -0.967 122 HA2 GLY 17 2HA GLY 17 -7.068 -5.271 0.961 123 HA3 GLY 17 1HA GLY 17 -6.133 -6.395 1.942 124 H TYR 18 H TYR 18 -3.875 -4.897 0.027 125 HA TYR 18 HA TYR 18 -3.619 -2.541 1.919 126 HB2 TYR 18 2HB TYR 18 -1.388 -4.481 1.251 127 HB3 TYR 18 1HB TYR 18 -1.263 -3.052 2.273 128 HD1 TYR 18 2HD TYR 18 -2.619 -6.468 2.018 129 HD2 TYR 18 1HD TYR 18 -2.219 -2.996 4.513 130 HE1 TYR 18 2HE TYR 18 -3.342 -7.799 3.977 131 HE2 TYR 18 1HE TYR 18 -2.944 -4.329 6.476 132 HH TYR 18 HH TYR 18 -3.412 -7.817 6.254 133 H ASN 19 H ASN 19 -2.611 -0.719 0.985 134 HA ASN 19 HA ASN 19 -2.122 -0.899 -1.963 135 HB2 ASN 19 2HB ASN 19 -2.800 1.323 -2.149 136 HB3 ASN 19 1HB ASN 19 -3.795 0.797 -0.790 137 HD21 ASN 19 1HD2 ASN 19 -2.001 3.382 -1.683 138 HD22 ASN 19 2HD2 ASN 19 -1.390 3.874 -0.176 139 H CYS 20 H CYS 20 -0.360 0.818 -2.668 140 HA CYS 20 HA CYS 20 2.035 0.305 -1.016 141 HB2 CYS 20 2HB CYS 20 1.505 1.135 -3.855 142 HB3 CYS 20 1HB CYS 20 3.077 1.347 -3.159 143 H VAL 21 H VAL 21 2.912 1.917 0.204 144 HA VAL 21 HA VAL 21 2.153 4.751 -0.424 145 HB VAL 21 HB VAL 21 2.211 3.263 2.182 146 HG11 VAL 21 1HG1 VAL 21 3.705 5.688 1.865 147 HG12 VAL 21 2HG1 VAL 21 3.346 4.819 3.354 148 HG13 VAL 21 3HG1 VAL 21 2.250 6.071 2.777 149 HG21 VAL 21 3HG2 VAL 21 0.032 3.729 1.505 150 HG22 VAL 21 1HG2 VAL 21 0.468 5.290 0.811 151 HG23 VAL 21 2HG2 VAL 21 0.375 5.101 2.558 152 H TYR 22 H TYR 22 3.889 5.882 -1.089 153 HA TYR 22 HA TYR 22 6.576 4.684 -0.744 154 HB2 TYR 22 2HB TYR 22 5.580 6.153 -2.694 155 HB3 TYR 22 1HB TYR 22 6.093 7.500 -1.680 156 HD1 TYR 22 2HD TYR 22 7.321 4.305 -3.178 157 HD2 TYR 22 1HD TYR 22 8.341 8.215 -1.718 158 HE1 TYR 22 2HE TYR 22 9.644 3.998 -3.984 159 HE2 TYR 22 1HE TYR 22 10.667 7.905 -2.524 160 HH TYR 22 HH TYR 22 11.556 5.507 -4.681 161 H ALA 23 H ALA 23 7.782 4.964 1.080 162 HA ALA 23 HA ALA 23 7.113 7.217 2.904 163 HB1 ALA 23 1HB ALA 23 8.528 4.592 3.218 164 HB2 ALA 23 2HB ALA 23 7.247 5.293 4.207 165 HB3 ALA 23 3HB ALA 23 8.899 5.900 4.343 166 H TRP 24 H TRP 24 8.235 9.053 2.382 167 HA TRP 24 HA TRP 24 10.666 9.159 0.937 168 HB2 TRP 24 2HB TRP 24 10.923 11.450 1.998 169 HB3 TRP 24 1HB TRP 24 9.391 11.176 1.176 170 HD1 TRP 24 HD TRP 24 10.827 10.966 4.775 171 HE1 TRP 24 1HE TRP 24 8.962 11.615 6.419 172 HE3 TRP 24 3HE TRP 24 6.959 11.603 1.505 173 HZ2 TRP 24 2HZ TRP 24 6.193 12.318 6.363 174 HZ3 TRP 24 3HZ TRP 24 4.719 12.267 2.330 175 HH2 TRP 24 HH TRP 24 4.331 12.626 4.752 176 H TYR 25 H TYR 25 12.670 8.444 1.484 177 HA TYR 25 HA TYR 25 14.206 9.132 3.669 178 HB2 TYR 25 2HB TYR 25 12.118 7.947 4.944 179 HB3 TYR 25 1HB TYR 25 13.119 6.535 4.676 180 HD1 TYR 25 2HD TYR 25 13.374 10.081 5.870 181 HD2 TYR 25 1HD TYR 25 14.824 6.050 6.191 182 HE1 TYR 25 2HE TYR 25 14.818 10.752 7.773 183 HE2 TYR 25 1HE TYR 25 16.266 6.720 8.092 184 HH TYR 25 HH TYR 25 16.222 8.579 9.861 185 H ASN 26 H ASN 26 13.384 5.711 3.137 186 HA ASN 26 HA ASN 26 16.050 5.386 1.846 187 HB2 ASN 26 2HB ASN 26 15.459 2.869 2.502 188 HB3 ASN 26 1HB ASN 26 16.203 3.978 3.655 189 HD21 ASN 26 1HD2 ASN 26 15.219 3.514 5.617 190 HD22 ASN 26 2HD2 ASN 26 13.543 3.452 5.854 191 H GLN 27 H GLN 27 13.347 6.099 0.631 192 HA GLN 27 HA GLN 27 12.121 5.517 -1.287 193 HB2 GLN 27 2HB GLN 27 14.612 3.887 -1.895 194 HB3 GLN 27 1HB GLN 27 13.398 4.411 -3.062 195 HG2 GLN 27 2HG GLN 27 15.032 6.315 -1.360 196 HG3 GLN 27 1HG GLN 27 15.453 5.867 -3.013 197 HE21 GLN 27 1HE2 GLN 27 13.417 7.923 -1.078 198 HE22 GLN 27 2HE2 GLN 27 12.564 8.633 -2.363 199 H GLN 28 H GLN 28 11.425 4.082 0.948 200 HA GLN 28 HA GLN 28 11.074 1.271 -0.040 201 HB2 GLN 28 2HB GLN 28 12.351 1.612 2.128 202 HB3 GLN 28 1HB GLN 28 10.872 2.279 2.814 203 HG2 GLN 28 2HG GLN 28 9.951 -0.073 1.721 204 HG3 GLN 28 1HG GLN 28 11.577 -0.533 2.228 205 HE21 GLN 28 1HE2 GLN 28 11.398 -1.510 4.261 206 HE22 GLN 28 2HE2 GLN 28 10.457 -0.916 5.543 207 H SER 29 H SER 29 8.958 0.648 -0.428 208 HA SER 29 HA SER 29 6.835 2.633 0.167 209 HB2 SER 29 2HB SER 29 6.859 0.140 -1.545 210 HB3 SER 29 1HB SER 29 5.430 1.133 -1.289 211 HG SER 29 HG SER 29 6.541 1.759 -3.171 212 H SER 30 H SER 30 5.573 2.356 1.934 213 HA SER 30 HA SER 30 5.573 -0.233 3.297 214 HB2 SER 30 2HB SER 30 4.478 1.092 5.141 215 HB3 SER 30 1HB SER 30 6.093 1.646 4.715 216 HG SER 30 HG SER 30 5.029 3.187 3.324 217 H CYS 31 H CYS 31 3.907 -1.595 2.695 218 HA CYS 31 HA CYS 31 1.583 -0.659 1.318 219 HB2 CYS 31 2HB CYS 31 2.048 -3.250 2.808 220 HB3 CYS 31 1HB CYS 31 0.683 -2.943 1.751 221 H GLU 32 H GLU 32 -0.375 0.079 2.095 222 HA GLU 32 HA GLU 32 -0.997 -0.258 4.984 223 HB2 GLU 32 2HB GLU 32 -0.738 2.347 3.521 224 HB3 GLU 32 1HB GLU 32 -1.676 2.190 5.010 225 HG2 GLU 32 2HG GLU 32 1.229 1.381 4.710 226 HG3 GLU 32 1HG GLU 32 0.658 2.867 5.427 227 H ARG 33 H ARG 33 -3.218 -0.394 5.407 228 HA ARG 33 HA ARG 33 -4.963 -1.005 3.216 229 HB2 ARG 33 2HB ARG 33 -6.524 -1.612 4.804 230 HB3 ARG 33 1HB ARG 33 -5.072 -1.658 5.791 231 HG2 ARG 33 2HG ARG 33 -7.094 0.606 5.654 232 HG3 ARG 33 1HG ARG 33 -6.816 -0.478 7.004 233 HD2 ARG 33 2HD ARG 33 -4.323 0.433 6.787 234 HD3 ARG 33 1HD ARG 33 -5.143 1.811 6.054 235 HE ARG 33 HE ARG 33 -6.607 1.486 8.319 236 HH11 ARG 33 1HH2 ARG 33 -3.215 1.548 7.676 237 HH12 ARG 33 2HH2 ARG 33 -2.792 2.083 9.268 238 HH21 ARG 33 2HH1 ARG 33 -6.067 2.179 10.399 239 HH22 ARG 33 1HH1 ARG 33 -4.403 2.437 10.808 240 H LYS 34 H LYS 34 -3.949 1.522 2.641 241 HA LYS 34 HA LYS 34 -5.473 3.712 3.420 242 HB2 LYS 34 2HB LYS 34 -4.342 3.115 0.676 243 HB3 LYS 34 1HB LYS 34 -4.974 4.688 1.162 244 HG2 LYS 34 2HG LYS 34 -2.829 3.293 2.764 245 HG3 LYS 34 1HG LYS 34 -2.427 4.323 1.387 246 HD2 LYS 34 2HD LYS 34 -3.349 6.253 2.415 247 HD3 LYS 34 1HD LYS 34 -4.215 5.309 3.620 248 HE2 LYS 34 2HE LYS 34 -1.407 4.695 3.806 249 HE3 LYS 34 1HE LYS 34 -1.621 6.444 3.852 250 HZ1 LYS 34 3HZ LYS 34 -1.775 5.349 6.048 251 HZ2 LYS 34 1HZ LYS 34 -3.161 4.532 5.516 252 HZ3 LYS 34 2HZ LYS 34 -3.169 6.227 5.633 253 H TRP 35 H TRP 35 -6.633 0.942 1.917 254 HA TRP 35 HA TRP 35 -9.111 2.406 1.080 255 HB2 TRP 35 2HB TRP 35 -9.419 0.892 -0.731 256 HB3 TRP 35 1HB TRP 35 -7.738 1.405 -0.800 257 HD1 TRP 35 HD TRP 35 -7.361 -0.766 1.910 258 HE1 TRP 35 1HE TRP 35 -6.869 -3.203 1.227 259 HE3 TRP 35 3HE TRP 35 -8.817 -0.623 -2.975 260 HZ2 TRP 35 2HZ TRP 35 -7.067 -4.866 -1.108 261 HZ3 TRP 35 3HZ TRP 35 -8.650 -2.641 -4.403 262 HH2 TRP 35 HH TRP 35 -7.772 -4.761 -3.470 263 H LYS 36 H LYS 36 -10.409 -0.162 0.523 264 HA LYS 36 HA LYS 36 -11.131 -2.157 1.755 265 HB2 LYS 36 2HB LYS 36 -10.476 -0.397 4.099 266 HB3 LYS 36 1HB LYS 36 -11.691 -1.645 4.275 267 HG2 LYS 36 2HG LYS 36 -10.101 -3.357 3.550 268 HG3 LYS 36 1HG LYS 36 -8.865 -2.123 3.296 269 HD2 LYS 36 2HD LYS 36 -8.874 -1.559 5.668 270 HD3 LYS 36 1HD LYS 36 -10.208 -2.674 5.959 271 HE2 LYS 36 2HE LYS 36 -8.868 -4.573 5.582 272 HE3 LYS 36 1HE LYS 36 -7.628 -3.646 4.737 273 HZ1 LYS 36 3HZ LYS 36 -8.146 -2.808 7.459 274 HZ2 LYS 36 1HZ LYS 36 -6.670 -3.026 6.650 275 HZ3 LYS 36 2HZ LYS 36 -7.482 -4.365 7.310 276 H TYR 37 H TYR 37 -12.253 0.703 0.768 277 HA TYR 37 HA TYR 37 -15.028 -0.012 1.777 278 HB2 TYR 37 2HB TYR 37 -15.363 2.618 1.549 279 HB3 TYR 37 1HB TYR 37 -14.768 1.893 3.040 280 HD1 TYR 37 2HD TYR 37 -12.297 1.827 3.492 281 HD2 TYR 37 1HD TYR 37 -13.986 4.051 0.229 282 HE1 TYR 37 2HE TYR 37 -10.202 3.139 3.303 283 HE2 TYR 37 1HE TYR 37 -11.891 5.365 0.041 284 HH TYR 37 HH TYR 37 -9.819 5.629 0.780 285 H LEU 38 H LEU 38 -13.268 -0.061 -0.916 286 HA LEU 38 HA LEU 38 -15.571 0.085 -2.556 287 HB2 LEU 38 2HB LEU 38 -15.020 2.559 -2.124 288 HB3 LEU 38 1HB LEU 38 -13.605 2.301 -3.138 289 HG LEU 38 HG LEU 38 -14.982 1.701 -5.033 290 HD11 LEU 38 1HD1 LEU 38 -16.804 0.462 -4.293 291 HD12 LEU 38 2HD1 LEU 38 -17.589 2.008 -4.599 292 HD13 LEU 38 3HD1 LEU 38 -17.144 1.563 -2.953 293 HD21 LEU 38 3HD2 LEU 38 -15.068 4.235 -3.763 294 HD22 LEU 38 1HD2 LEU 38 -16.706 3.926 -4.340 295 HD23 LEU 38 2HD2 LEU 38 -15.351 3.886 -5.465 296 H PHE 39 H PHE 39 -13.184 1.274 -4.516 297 HA PHE 39 HA PHE 39 -12.143 0.092 -6.298 298 HB2 PHE 39 2HB PHE 39 -10.847 -0.824 -3.748 299 HB3 PHE 39 1HB PHE 39 -10.207 -1.261 -5.329 300 HD1 PHE 39 2HD PHE 39 -11.269 1.726 -3.322 301 HD2 PHE 39 1HD PHE 39 -8.739 0.191 -6.439 302 HE1 PHE 39 2HE PHE 39 -10.114 3.916 -3.467 303 HE2 PHE 39 1HE PHE 39 -7.587 2.382 -6.583 304 HZ PHE 39 HZ PHE 39 -8.273 4.244 -5.097 305 H THR 40 H THR 40 -12.197 -2.377 -3.805 306 HA THR 40 HA THR 40 -13.219 -4.513 -3.795 307 HB THR 40 HB THR 40 -14.204 -4.352 -6.602 308 HG1 THR 40 1HG THR 40 -14.688 -2.405 -4.718 309 HG21 THR 40 3HG2 THR 40 -15.566 -4.974 -3.967 310 HG22 THR 40 1HG2 THR 40 -14.799 -6.171 -5.010 311 HG23 THR 40 2HG2 THR 40 -16.216 -5.286 -5.578 312 H GLY 41 H GLY 41 -10.573 -4.151 -4.336 313 HA2 GLY 41 2HA GLY 41 -9.762 -5.362 -6.839 314 HA3 GLY 41 1HA GLY 41 -8.710 -5.051 -5.463 315 H GLU 42 H GLU 42 -11.672 -6.918 -5.276 316 HA GLU 42 HA GLU 42 -12.028 -9.076 -4.477 317 HB2 GLU 42 2HB GLU 42 -11.440 -10.675 -6.035 318 HB3 GLU 42 1HB GLU 42 -11.146 -9.217 -6.976 319 HG2 GLU 42 2HG GLU 42 -8.708 -9.482 -5.834 320 HG3 GLU 42 1HG GLU 42 -9.197 -11.170 -5.837 321 H CYS 43 H CYS 43 -10.340 -7.646 -2.763 322 HA CYS 43 HA CYS 43 -8.299 -9.623 -1.940 323 HB2 CYS 43 2HB CYS 43 -8.818 -6.734 -1.243 324 HB3 CYS 43 1HB CYS 43 -7.598 -7.716 -0.473 325 HXT CYS 43 2HT CYS 43 -9.507 -7.751 0.671 Start of MODEL 14 1 H1 CYS 1 1H CYS 1 5.481 -9.066 -1.715 2 H2 CYS 1 2H CYS 1 4.578 -10.310 -1.031 3 H3 CYS 1 3H CYS 1 4.455 -9.988 -2.678 4 HA CYS 1 HA CYS 1 3.476 -7.845 -2.227 5 HB2 CYS 1 2HB CYS 1 1.340 -8.625 -1.594 6 HB3 CYS 1 1HB CYS 1 2.084 -10.020 -2.378 7 H GLY 2 H GLY 2 3.575 -6.125 -0.825 8 HA2 GLY 2 2HA GLY 2 4.575 -6.557 1.883 9 HA3 GLY 2 1HA GLY 2 4.112 -5.002 1.186 10 H SER 3 H SER 3 3.345 -6.746 3.725 11 HA SER 3 HA SER 3 0.396 -6.230 3.498 12 HB2 SER 3 2HB SER 3 0.016 -8.092 4.992 13 HB3 SER 3 1HB SER 3 1.073 -8.664 3.704 14 HG SER 3 HG SER 3 2.797 -8.542 5.069 15 H LYS 4 H LYS 4 -0.564 -5.226 5.326 16 HA LYS 4 HA LYS 4 -0.056 -3.205 6.701 17 HB2 LYS 4 2HB LYS 4 -1.500 -4.354 8.063 18 HB3 LYS 4 1HB LYS 4 -0.580 -5.846 7.960 19 HG2 LYS 4 2HG LYS 4 0.880 -3.749 9.410 20 HG3 LYS 4 1HG LYS 4 -0.673 -4.099 10.145 21 HD2 LYS 4 2HD LYS 4 1.112 -6.378 9.323 22 HD3 LYS 4 1HD LYS 4 1.432 -5.520 10.828 23 HE2 LYS 4 2HE LYS 4 -1.073 -5.898 11.358 24 HE3 LYS 4 1HE LYS 4 -1.030 -7.085 10.056 25 HZ1 LYS 4 3HZ LYS 4 1.015 -7.153 12.171 26 HZ2 LYS 4 1HZ LYS 4 0.439 -8.416 11.197 27 HZ3 LYS 4 2HZ LYS 4 -0.521 -7.818 12.464 28 H ARG 5 H ARG 5 1.761 -2.058 6.927 29 HA ARG 5 HA ARG 5 3.938 -1.483 7.560 30 HB2 ARG 5 2HB ARG 5 3.254 -2.100 9.803 31 HB3 ARG 5 1HB ARG 5 3.471 -3.809 9.450 32 HG2 ARG 5 2HG ARG 5 5.915 -3.338 9.026 33 HG3 ARG 5 1HG ARG 5 5.633 -1.689 9.576 34 HD2 ARG 5 2HD ARG 5 5.805 -2.351 11.728 35 HD3 ARG 5 1HD ARG 5 4.522 -3.537 11.496 36 HE ARG 5 HE ARG 5 7.321 -4.138 11.649 37 HH11 ARG 5 1HH2 ARG 5 4.437 -4.889 9.904 38 HH12 ARG 5 2HH2 ARG 5 4.933 -6.500 9.522 39 HH21 ARG 5 2HH1 ARG 5 7.968 -6.246 11.160 40 HH22 ARG 5 1HH1 ARG 5 6.925 -7.266 10.228 41 H ALA 6 H ALA 6 4.755 -2.083 5.485 42 HA ALA 6 HA ALA 6 6.917 -3.909 5.514 43 HB1 ALA 6 1HB ALA 6 5.681 -5.526 3.761 44 HB2 ALA 6 2HB ALA 6 4.292 -5.071 4.741 45 HB3 ALA 6 3HB ALA 6 5.682 -5.846 5.495 46 H TRP 7 H TRP 7 8.197 -3.441 3.850 47 HA TRP 7 HA TRP 7 7.767 -1.324 2.088 48 HB2 TRP 7 2HB TRP 7 9.991 -2.045 2.434 49 HB3 TRP 7 1HB TRP 7 9.608 -3.706 1.992 50 HD1 TRP 7 HD TRP 7 9.481 -0.233 0.264 51 HE1 TRP 7 1HE TRP 7 10.257 -0.538 -2.175 52 HE3 TRP 7 3HE TRP 7 10.285 -5.271 0.225 53 HZ2 TRP 7 2HZ TRP 7 11.119 -2.643 -3.912 54 HZ3 TRP 7 3HZ TRP 7 11.087 -6.403 -1.830 55 HH2 TRP 7 HH TRP 7 11.504 -5.097 -3.896 56 H CYS 8 H CYS 8 6.681 -1.053 0.239 57 HA CYS 8 HA CYS 8 5.657 -3.495 -1.208 58 HB2 CYS 8 2HB CYS 8 3.738 -2.179 -1.888 59 HB3 CYS 8 1HB CYS 8 3.896 -2.001 -0.149 60 H LYS 9 H LYS 9 5.864 -3.389 -3.548 61 HA LYS 9 HA LYS 9 7.960 -1.479 -4.405 62 HB2 LYS 9 2HB LYS 9 7.804 -4.080 -4.884 63 HB3 LYS 9 1HB LYS 9 6.776 -3.559 -6.214 64 HG2 LYS 9 2HG LYS 9 8.511 -2.507 -7.333 65 HG3 LYS 9 1HG LYS 9 9.382 -2.133 -5.848 66 HD2 LYS 9 2HD LYS 9 9.908 -4.575 -5.603 67 HD3 LYS 9 1HD LYS 9 9.171 -4.845 -7.182 68 HE2 LYS 9 2HE LYS 9 11.064 -4.198 -8.220 69 HE3 LYS 9 1HE LYS 9 11.058 -2.660 -7.357 70 HZ1 LYS 9 3HZ LYS 9 11.972 -3.983 -5.414 71 HZ2 LYS 9 1HZ LYS 9 13.024 -3.710 -6.715 72 HZ3 LYS 9 2HZ LYS 9 12.277 -5.225 -6.532 73 H GLU 10 H GLU 10 4.685 -2.483 -5.361 74 HA GLU 10 HA GLU 10 4.070 0.237 -6.276 75 HB2 GLU 10 2HB GLU 10 3.331 -1.820 -8.299 76 HB3 GLU 10 1HB GLU 10 3.838 -0.149 -8.530 77 HG2 GLU 10 2HG GLU 10 6.184 -0.820 -8.033 78 HG3 GLU 10 1HG GLU 10 5.651 -2.496 -7.893 79 H LYS 11 H LYS 11 1.585 -0.041 -7.268 80 HA LYS 11 HA LYS 11 0.058 -0.944 -5.042 81 HB2 LYS 11 2HB LYS 11 -1.132 0.591 -6.315 82 HB3 LYS 11 1HB LYS 11 -0.610 -0.115 -7.841 83 HG2 LYS 11 2HG LYS 11 -2.307 -1.661 -7.871 84 HG3 LYS 11 1HG LYS 11 -2.292 -1.875 -6.122 85 HD2 LYS 11 2HD LYS 11 -3.567 0.110 -5.770 86 HD3 LYS 11 1HD LYS 11 -3.349 0.629 -7.443 87 HE2 LYS 11 2HE LYS 11 -4.952 -0.817 -8.244 88 HE3 LYS 11 1HE LYS 11 -4.608 -2.046 -7.025 89 HZ1 LYS 11 3HZ LYS 11 -5.955 -1.053 -5.508 90 HZ2 LYS 11 1HZ LYS 11 -6.778 -0.619 -6.926 91 HZ3 LYS 11 2HZ LYS 11 -5.758 0.505 -6.159 92 H LYS 12 H LYS 12 0.759 -2.577 -8.158 93 HA LYS 12 HA LYS 12 -0.824 -4.859 -7.523 94 HB2 LYS 12 2HB LYS 12 1.452 -4.660 -9.422 95 HB3 LYS 12 1HB LYS 12 0.161 -5.822 -9.453 96 HG2 LYS 12 2HG LYS 12 -1.348 -3.626 -9.517 97 HG3 LYS 12 1HG LYS 12 0.116 -2.937 -10.214 98 HD2 LYS 12 2HD LYS 12 -1.116 -5.496 -11.264 99 HD3 LYS 12 1HD LYS 12 -1.583 -3.908 -11.867 100 HE2 LYS 12 2HE LYS 12 0.778 -3.444 -12.453 101 HE3 LYS 12 1HE LYS 12 1.222 -5.052 -11.879 102 HZ1 LYS 12 3HZ LYS 12 -0.527 -4.358 -14.165 103 HZ2 LYS 12 1HZ LYS 12 -0.467 -5.919 -13.504 104 HZ3 LYS 12 2HZ LYS 12 0.928 -5.235 -14.195 105 H ASP 13 H ASP 13 2.157 -3.825 -6.288 106 HA ASP 13 HA ASP 13 3.041 -6.602 -5.720 107 HB2 ASP 13 2HB ASP 13 4.369 -4.029 -6.053 108 HB3 ASP 13 1HB ASP 13 4.902 -4.860 -4.600 109 H CYS 14 H CYS 14 0.878 -4.648 -4.349 110 HA CYS 14 HA CYS 14 1.821 -5.086 -1.544 111 HB2 CYS 14 2HB CYS 14 0.909 -2.813 -2.285 112 HB3 CYS 14 1HB CYS 14 -0.664 -3.587 -2.409 113 H CYS 15 H CYS 15 0.789 -6.644 -0.290 114 HA CYS 15 HA CYS 15 -0.741 -8.664 -1.536 115 HB2 CYS 15 2HB CYS 15 0.265 -8.128 1.085 116 HB3 CYS 15 1HB CYS 15 -1.424 -8.608 1.237 117 H CYS 16 H CYS 16 -2.912 -9.112 -1.621 118 HA CYS 16 HA CYS 16 -4.712 -7.069 -2.094 119 HB2 CYS 16 2HB CYS 16 -5.144 -9.880 -1.085 120 HB3 CYS 16 1HB CYS 16 -6.435 -8.837 -1.639 121 H GLY 17 H GLY 17 -6.024 -5.809 -0.849 122 HA2 GLY 17 2HA GLY 17 -7.215 -5.183 1.147 123 HA3 GLY 17 1HA GLY 17 -6.303 -6.398 2.047 124 H TYR 18 H TYR 18 -4.118 -4.883 0.051 125 HA TYR 18 HA TYR 18 -3.591 -2.664 2.047 126 HB2 TYR 18 2HB TYR 18 -1.585 -4.715 1.090 127 HB3 TYR 18 1HB TYR 18 -1.188 -3.260 2.005 128 HD1 TYR 18 2HD TYR 18 -2.284 -2.914 4.256 129 HD2 TYR 18 1HD TYR 18 -2.284 -6.652 2.165 130 HE1 TYR 18 2HE TYR 18 -2.811 -4.085 6.376 131 HE2 TYR 18 1HE TYR 18 -2.815 -7.845 4.286 132 HH TYR 18 HH TYR 18 -3.083 -6.059 7.365 133 H ASN 19 H ASN 19 -2.450 -0.886 1.181 134 HA ASN 19 HA ASN 19 -2.320 -0.827 -1.814 135 HB2 ASN 19 2HB ASN 19 -2.752 1.494 -1.694 136 HB3 ASN 19 1HB ASN 19 -3.802 0.810 -0.451 137 HD21 ASN 19 1HD2 ASN 19 -1.242 3.050 -0.991 138 HD22 ASN 19 2HD2 ASN 19 -0.877 3.367 0.635 139 H CYS 20 H CYS 20 -0.495 0.519 -2.704 140 HA CYS 20 HA CYS 20 1.962 0.186 -1.033 141 HB2 CYS 20 2HB CYS 20 1.934 -1.011 -3.199 142 HB3 CYS 20 1HB CYS 20 1.685 0.512 -4.027 143 H VAL 21 H VAL 21 3.135 2.002 -0.458 144 HA VAL 21 HA VAL 21 2.590 4.561 -1.883 145 HB VAL 21 HB VAL 21 1.145 4.422 0.179 146 HG11 VAL 21 1HG1 VAL 21 2.014 3.769 2.155 147 HG12 VAL 21 2HG1 VAL 21 3.182 5.085 2.106 148 HG13 VAL 21 3HG1 VAL 21 3.577 3.530 1.384 149 HG21 VAL 21 3HG2 VAL 21 3.277 6.530 -0.161 150 HG22 VAL 21 1HG2 VAL 21 2.051 6.677 1.097 151 HG23 VAL 21 2HG2 VAL 21 1.571 6.606 -0.598 152 H TYR 22 H TYR 22 4.374 5.946 -2.052 153 HA TYR 22 HA TYR 22 6.955 4.632 -1.365 154 HB2 TYR 22 2HB TYR 22 6.498 5.829 -3.545 155 HB3 TYR 22 1HB TYR 22 6.515 7.339 -2.638 156 HD1 TYR 22 2HD TYR 22 8.686 4.270 -2.362 157 HD2 TYR 22 1HD TYR 22 8.482 8.477 -3.201 158 HE1 TYR 22 2HE TYR 22 11.150 4.352 -2.534 159 HE2 TYR 22 1HE TYR 22 10.957 8.554 -3.379 160 HH TYR 22 HH TYR 22 12.877 5.676 -3.492 161 H ALA 23 H ALA 23 8.150 5.065 0.410 162 HA ALA 23 HA ALA 23 7.294 7.286 2.185 163 HB1 ALA 23 1HB ALA 23 7.837 4.743 2.820 164 HB2 ALA 23 2HB ALA 23 8.182 6.062 3.931 165 HB3 ALA 23 3HB ALA 23 9.474 5.384 2.946 166 H TRP 24 H TRP 24 8.226 9.102 1.212 167 HA TRP 24 HA TRP 24 10.769 9.314 0.043 168 HB2 TRP 24 2HB TRP 24 10.383 11.776 1.316 169 HB3 TRP 24 1HB TRP 24 9.825 11.341 -0.300 170 HD1 TRP 24 HD TRP 24 8.622 11.043 3.361 171 HE1 TRP 24 1HE TRP 24 6.051 11.233 3.380 172 HE3 TRP 24 3HE TRP 24 7.720 11.372 -1.657 173 HZ2 TRP 24 2HZ TRP 24 3.897 11.492 1.517 174 HZ3 TRP 24 3HZ TRP 24 5.401 11.589 -2.506 175 HH2 TRP 24 HH TRP 24 3.492 11.650 -0.927 176 H TYR 25 H TYR 25 9.879 9.613 3.532 177 HA TYR 25 HA TYR 25 12.539 10.475 4.314 178 HB2 TYR 25 2HB TYR 25 11.922 9.896 6.577 179 HB3 TYR 25 1HB TYR 25 10.544 10.644 5.780 180 HD1 TYR 25 2HD TYR 25 8.592 9.288 5.098 181 HD2 TYR 25 1HD TYR 25 11.898 7.566 7.238 182 HE1 TYR 25 2HE TYR 25 7.198 7.319 5.677 183 HE2 TYR 25 1HE TYR 25 10.493 5.608 7.832 184 HH TYR 25 HH TYR 25 8.288 4.500 6.602 185 H ASN 26 H ASN 26 11.163 7.170 4.157 186 HA ASN 26 HA ASN 26 13.874 6.100 4.739 187 HB2 ASN 26 2HB ASN 26 11.109 4.994 4.743 188 HB3 ASN 26 1HB ASN 26 12.388 3.877 4.272 189 HD21 ASN 26 1HD2 ASN 26 11.027 3.408 6.686 190 HD22 ASN 26 2HD2 ASN 26 12.059 3.732 7.993 191 H GLN 27 H GLN 27 12.349 7.257 2.072 192 HA GLN 27 HA GLN 27 12.661 6.946 -0.225 193 HB2 GLN 27 2HB GLN 27 15.177 5.576 0.783 194 HB3 GLN 27 1HB GLN 27 14.885 6.053 -0.890 195 HG2 GLN 27 2HG GLN 27 14.850 7.971 1.455 196 HG3 GLN 27 1HG GLN 27 16.234 7.733 0.388 197 HE21 GLN 27 1HE2 GLN 27 13.847 9.902 0.850 198 HE22 GLN 27 2HE2 GLN 27 13.545 10.382 -0.750 199 H GLN 28 H GLN 28 11.721 4.591 1.738 200 HA GLN 28 HA GLN 28 11.646 2.534 -0.444 201 HB2 GLN 28 2HB GLN 28 11.525 2.085 2.559 202 HB3 GLN 28 1HB GLN 28 11.381 0.830 1.330 203 HG2 GLN 28 2HG GLN 28 13.672 1.566 0.488 204 HG3 GLN 28 1HG GLN 28 13.799 2.527 1.959 205 HE21 GLN 28 1HE2 GLN 28 12.898 1.003 3.983 206 HE22 GLN 28 2HE2 GLN 28 13.694 -0.494 4.064 207 H SER 29 H SER 29 9.579 1.405 -0.617 208 HA SER 29 HA SER 29 7.332 3.168 0.135 209 HB2 SER 29 2HB SER 29 7.196 0.613 -1.436 210 HB3 SER 29 1HB SER 29 6.052 1.936 -1.438 211 HG SER 29 HG SER 29 8.619 1.773 -2.577 212 H SER 30 H SER 30 5.364 2.217 1.133 213 HA SER 30 HA SER 30 5.798 -0.283 2.591 214 HB2 SER 30 2HB SER 30 6.547 1.541 4.096 215 HB3 SER 30 1HB SER 30 4.958 2.286 3.946 216 HG SER 30 HG SER 30 4.069 0.401 4.856 217 H CYS 31 H CYS 31 3.968 -1.496 2.753 218 HA CYS 31 HA CYS 31 1.601 -0.679 1.339 219 HB2 CYS 31 2HB CYS 31 2.422 -3.047 2.968 220 HB3 CYS 31 1HB CYS 31 0.709 -2.824 2.643 221 H GLU 32 H GLU 32 -0.506 -0.135 2.239 222 HA GLU 32 HA GLU 32 -0.587 0.305 5.178 223 HB2 GLU 32 2HB GLU 32 -0.854 2.430 3.102 224 HB3 GLU 32 1HB GLU 32 -1.795 2.555 4.590 225 HG2 GLU 32 2HG GLU 32 1.199 2.291 4.353 226 HG3 GLU 32 1HG GLU 32 0.305 3.685 4.911 227 H ARG 33 H ARG 33 -2.571 0.153 6.101 228 HA ARG 33 HA ARG 33 -4.618 -1.256 4.671 229 HB2 ARG 33 2HB ARG 33 -5.188 -1.783 6.788 230 HB3 ARG 33 1HB ARG 33 -3.960 -0.673 7.372 231 HG2 ARG 33 2HG ARG 33 -6.716 0.322 6.619 232 HG3 ARG 33 1HG ARG 33 -6.396 -0.370 8.199 233 HD2 ARG 33 2HD ARG 33 -4.554 1.766 7.167 234 HD3 ARG 33 1HD ARG 33 -6.112 2.223 7.857 235 HE ARG 33 HE ARG 33 -3.819 1.155 9.326 236 HH11 ARG 33 1HH2 ARG 33 -7.235 1.616 9.169 237 HH12 ARG 33 2HH2 ARG 33 -7.454 1.555 10.886 238 HH21 ARG 33 2HH1 ARG 33 -4.087 1.078 11.567 239 HH22 ARG 33 1HH1 ARG 33 -5.673 1.250 12.245 240 H LYS 34 H LYS 34 -5.290 0.038 2.898 241 HA LYS 34 HA LYS 34 -6.640 2.558 3.607 242 HB2 LYS 34 2HB LYS 34 -5.375 1.681 1.019 243 HB3 LYS 34 1HB LYS 34 -6.504 3.030 1.096 244 HG2 LYS 34 2HG LYS 34 -5.003 4.051 2.878 245 HG3 LYS 34 1HG LYS 34 -3.814 2.799 2.501 246 HD2 LYS 34 2HD LYS 34 -3.655 3.564 0.205 247 HD3 LYS 34 1HD LYS 34 -5.004 4.666 0.427 248 HE2 LYS 34 2HE LYS 34 -2.897 5.904 0.527 249 HE3 LYS 34 1HE LYS 34 -3.685 5.930 2.103 250 HZ1 LYS 34 3HZ LYS 34 -1.689 3.868 1.426 251 HZ2 LYS 34 1HZ LYS 34 -2.202 4.386 2.957 252 HZ3 LYS 34 2HZ LYS 34 -1.213 5.391 2.008 253 H TRP 35 H TRP 35 -7.238 -0.591 3.106 254 HA TRP 35 HA TRP 35 -9.902 -0.081 1.830 255 HB2 TRP 35 2HB TRP 35 -8.711 -2.824 1.856 256 HB3 TRP 35 1HB TRP 35 -9.695 -2.040 0.618 257 HD1 TRP 35 HD TRP 35 -6.121 -2.119 1.985 258 HE1 TRP 35 1HE TRP 35 -4.516 -1.250 0.170 259 HE3 TRP 35 3HE TRP 35 -9.508 -0.627 -1.535 260 HZ2 TRP 35 2HZ TRP 35 -4.649 -0.068 -2.429 261 HZ3 TRP 35 3HZ TRP 35 -8.738 0.373 -3.671 262 HH2 TRP 35 HH TRP 35 -6.315 0.651 -4.122 263 H LYS 36 H LYS 36 -11.408 -2.050 2.532 264 HA LYS 36 HA LYS 36 -12.163 -3.543 4.289 265 HB2 LYS 36 2HB LYS 36 -10.302 -1.857 5.961 266 HB3 LYS 36 1HB LYS 36 -11.528 -2.869 6.691 267 HG2 LYS 36 2HG LYS 36 -9.493 -3.927 4.716 268 HG3 LYS 36 1HG LYS 36 -9.241 -3.941 6.460 269 HD2 LYS 36 2HD LYS 36 -11.795 -5.028 6.183 270 HD3 LYS 36 1HD LYS 36 -10.928 -5.692 4.805 271 HE2 LYS 36 2HE LYS 36 -9.103 -5.977 6.897 272 HE3 LYS 36 1HE LYS 36 -10.656 -6.331 7.651 273 HZ1 LYS 36 3HZ LYS 36 -11.103 -7.978 6.019 274 HZ2 LYS 36 1HZ LYS 36 -9.545 -8.274 6.622 275 HZ3 LYS 36 2HZ LYS 36 -9.741 -7.540 5.101 276 H TYR 37 H TYR 37 -12.937 -0.867 3.064 277 HA TYR 37 HA TYR 37 -14.705 0.114 5.326 278 HB2 TYR 37 2HB TYR 37 -13.089 1.524 3.592 279 HB3 TYR 37 1HB TYR 37 -14.651 1.628 2.784 280 HD1 TYR 37 2HD TYR 37 -12.873 2.269 5.982 281 HD2 TYR 37 1HD TYR 37 -16.416 2.990 3.663 282 HE1 TYR 37 2HE TYR 37 -13.581 4.006 7.605 283 HE2 TYR 37 1HE TYR 37 -17.123 4.726 5.286 284 HH TYR 37 HH TYR 37 -16.580 5.868 7.108 285 H LEU 38 H LEU 38 -16.459 -1.276 5.227 286 HA LEU 38 HA LEU 38 -18.743 -1.128 4.008 287 HB2 LEU 38 2HB LEU 38 -17.767 -0.690 1.796 288 HB3 LEU 38 1HB LEU 38 -16.958 -2.258 1.824 289 HG LEU 38 HG LEU 38 -19.485 -3.094 2.242 290 HD11 LEU 38 1HD1 LEU 38 -21.056 -1.758 0.928 291 HD12 LEU 38 2HD1 LEU 38 -19.788 -0.588 0.564 292 HD13 LEU 38 3HD1 LEU 38 -20.370 -0.769 2.218 293 HD21 LEU 38 3HD2 LEU 38 -18.095 -2.399 -0.347 294 HD22 LEU 38 1HD2 LEU 38 -19.635 -3.260 -0.321 295 HD23 LEU 38 2HD2 LEU 38 -18.211 -3.972 0.441 296 H PHE 39 H PHE 39 -17.011 -3.860 2.650 297 HA PHE 39 HA PHE 39 -17.168 -5.683 4.830 298 HB2 PHE 39 2HB PHE 39 -19.715 -5.102 4.079 299 HB3 PHE 39 1HB PHE 39 -19.367 -6.387 2.929 300 HD1 PHE 39 2HD PHE 39 -17.829 -8.370 4.237 301 HD2 PHE 39 1HD PHE 39 -20.873 -5.864 5.948 302 HE1 PHE 39 2HE PHE 39 -18.223 -10.058 6.003 303 HE2 PHE 39 1HE PHE 39 -21.264 -7.558 7.717 304 HZ PHE 39 HZ PHE 39 -19.943 -9.654 7.743 305 H THR 40 H THR 40 -15.510 -4.959 2.547 306 HA THR 40 HA THR 40 -14.882 -7.617 1.588 307 HB THR 40 HB THR 40 -15.788 -5.684 -0.552 308 HG1 THR 40 1HG THR 40 -17.535 -7.564 -0.399 309 HG21 THR 40 3HG2 THR 40 -15.486 -8.697 -0.544 310 HG22 THR 40 1HG2 THR 40 -14.241 -7.583 -1.111 311 HG23 THR 40 2HG2 THR 40 -15.795 -7.667 -1.943 312 H GLY 41 H GLY 41 -14.143 -5.556 -0.891 313 HA2 GLY 41 2HA GLY 41 -12.370 -3.800 -0.914 314 HA3 GLY 41 1HA GLY 41 -11.577 -4.686 0.389 315 H GLU 42 H GLU 42 -10.509 -4.022 -2.287 316 HA GLU 42 HA GLU 42 -9.825 -6.805 -3.109 317 HB2 GLU 42 2HB GLU 42 -10.134 -6.281 -5.443 318 HB3 GLU 42 1HB GLU 42 -11.621 -5.845 -4.599 319 HG2 GLU 42 2HG GLU 42 -10.478 -3.489 -4.376 320 HG3 GLU 42 1HG GLU 42 -9.487 -4.051 -5.721 321 H CYS 43 H CYS 43 -7.770 -6.931 -4.259 322 HA CYS 43 HA CYS 43 -5.721 -5.306 -3.158 323 HB2 CYS 43 2HB CYS 43 -5.073 -6.558 -5.742 324 HB3 CYS 43 1HB CYS 43 -4.364 -6.830 -4.161 325 HXT CYS 43 2HT CYS 43 -6.780 -2.776 -4.542 Start of MODEL 15 1 H1 CYS 1 1H CYS 1 5.398 -9.042 -0.413 2 H2 CYS 1 2H CYS 1 4.329 -10.022 0.440 3 H3 CYS 1 3H CYS 1 4.490 -10.203 -1.225 4 HA CYS 1 HA CYS 1 3.571 -8.017 -1.592 5 HB2 CYS 1 2HB CYS 1 1.302 -8.550 -1.055 6 HB3 CYS 1 1HB CYS 1 2.098 -10.072 -1.404 7 H GLY 2 H GLY 2 3.724 -5.978 -0.749 8 HA2 GLY 2 2HA GLY 2 4.415 -5.396 1.927 9 HA3 GLY 2 1HA GLY 2 3.625 -4.246 0.854 10 H SER 3 H SER 3 3.083 -6.705 3.300 11 HA SER 3 HA SER 3 0.189 -5.936 3.373 12 HB2 SER 3 2HB SER 3 1.234 -8.440 3.170 13 HB3 SER 3 1HB SER 3 1.130 -8.292 4.920 14 HG SER 3 HG SER 3 -0.832 -8.621 3.082 15 H LYS 4 H LYS 4 0.085 -4.237 4.821 16 HA LYS 4 HA LYS 4 0.391 -3.043 6.814 17 HB2 LYS 4 2HB LYS 4 -1.110 -4.559 7.783 18 HB3 LYS 4 1HB LYS 4 -0.030 -5.913 7.623 19 HG2 LYS 4 2HG LYS 4 1.325 -5.167 9.434 20 HG3 LYS 4 1HG LYS 4 0.562 -3.571 9.447 21 HD2 LYS 4 2HD LYS 4 -1.362 -4.359 10.477 22 HD3 LYS 4 1HD LYS 4 -1.152 -5.999 9.857 23 HE2 LYS 4 2HE LYS 4 0.777 -6.320 11.382 24 HE3 LYS 4 1HE LYS 4 0.538 -4.691 12.019 25 HZ1 LYS 4 3HZ LYS 4 -1.699 -6.601 12.010 26 HZ2 LYS 4 1HZ LYS 4 -1.417 -5.282 13.037 27 HZ3 LYS 4 2HZ LYS 4 -0.509 -6.705 13.220 28 H ARG 5 H ARG 5 2.323 -2.065 7.014 29 HA ARG 5 HA ARG 5 4.609 -1.740 7.359 30 HB2 ARG 5 2HB ARG 5 5.075 -3.941 9.217 31 HB3 ARG 5 1HB ARG 5 5.120 -2.207 9.519 32 HG2 ARG 5 2HG ARG 5 2.591 -2.257 9.633 33 HG3 ARG 5 1HG ARG 5 2.715 -4.007 9.552 34 HD2 ARG 5 2HD ARG 5 2.538 -3.302 11.878 35 HD3 ARG 5 1HD ARG 5 4.100 -4.044 11.564 36 HE ARG 5 HE ARG 5 3.667 -1.088 11.776 37 HH11 ARG 5 1HH2 ARG 5 5.625 -3.938 12.006 38 HH12 ARG 5 2HH2 ARG 5 6.977 -3.101 12.687 39 HH21 ARG 5 2HH1 ARG 5 5.427 -0.080 12.680 40 HH22 ARG 5 1HH1 ARG 5 6.866 -0.891 13.069 41 H ALA 6 H ALA 6 5.115 -2.475 5.224 42 HA ALA 6 HA ALA 6 7.110 -4.507 5.103 43 HB1 ALA 6 1HB ALA 6 4.323 -5.326 4.285 44 HB2 ALA 6 2HB ALA 6 5.481 -6.211 5.282 45 HB3 ALA 6 3HB ALA 6 5.743 -6.066 3.544 46 H TRP 7 H TRP 7 8.361 -3.714 3.512 47 HA TRP 7 HA TRP 7 7.746 -1.672 1.751 48 HB2 TRP 7 2HB TRP 7 10.025 -2.146 1.942 49 HB3 TRP 7 1HB TRP 7 9.794 -3.867 1.622 50 HD1 TRP 7 HD TRP 7 8.928 -0.631 -0.331 51 HE1 TRP 7 1HE TRP 7 9.639 -0.966 -2.787 52 HE3 TRP 7 3HE TRP 7 10.863 -5.345 -0.045 53 HZ2 TRP 7 2HZ TRP 7 10.870 -2.972 -4.413 54 HZ3 TRP 7 3HZ TRP 7 11.798 -6.446 -2.059 55 HH2 TRP 7 HH TRP 7 11.802 -5.267 -4.240 56 H CYS 8 H CYS 8 6.956 -1.481 -0.337 57 HA CYS 8 HA CYS 8 5.945 -3.986 -1.653 58 HB2 CYS 8 2HB CYS 8 4.099 -2.465 -2.585 59 HB3 CYS 8 1HB CYS 8 3.953 -2.919 -0.894 60 H LYS 9 H LYS 9 6.107 -3.970 -3.953 61 HA LYS 9 HA LYS 9 8.195 -2.167 -5.003 62 HB2 LYS 9 2HB LYS 9 8.172 -4.612 -5.551 63 HB3 LYS 9 1HB LYS 9 6.651 -4.372 -6.394 64 HG2 LYS 9 2HG LYS 9 7.801 -2.681 -7.862 65 HG3 LYS 9 1HG LYS 9 9.323 -3.170 -7.111 66 HD2 LYS 9 2HD LYS 9 8.960 -5.489 -7.831 67 HD3 LYS 9 1HD LYS 9 7.413 -5.035 -8.551 68 HE2 LYS 9 2HE LYS 9 8.669 -3.395 -10.030 69 HE3 LYS 9 1HE LYS 9 10.168 -4.096 -9.389 70 HZ1 LYS 9 3HZ LYS 9 9.312 -6.290 -10.143 71 HZ2 LYS 9 1HZ LYS 9 9.622 -5.199 -11.405 72 HZ3 LYS 9 2HZ LYS 9 8.024 -5.479 -10.899 73 H GLU 10 H GLU 10 4.743 -2.645 -5.209 74 HA GLU 10 HA GLU 10 4.280 -0.058 -6.436 75 HB2 GLU 10 2HB GLU 10 5.022 -1.706 -8.335 76 HB3 GLU 10 1HB GLU 10 3.419 -2.380 -8.142 77 HG2 GLU 10 2HG GLU 10 3.146 -0.737 -9.818 78 HG3 GLU 10 1HG GLU 10 2.592 0.070 -8.357 79 H LYS 11 H LYS 11 1.809 -0.762 -7.600 80 HA LYS 11 HA LYS 11 0.113 -0.921 -5.247 81 HB2 LYS 11 2HB LYS 11 -0.768 0.332 -7.068 82 HB3 LYS 11 1HB LYS 11 -0.460 -0.964 -8.219 83 HG2 LYS 11 2HG LYS 11 -2.235 -1.665 -5.930 84 HG3 LYS 11 1HG LYS 11 -2.899 -0.512 -7.082 85 HD2 LYS 11 2HD LYS 11 -3.023 -2.052 -8.778 86 HD3 LYS 11 1HD LYS 11 -1.540 -2.866 -8.292 87 HE2 LYS 11 2HE LYS 11 -2.913 -3.699 -6.251 88 HE3 LYS 11 1HE LYS 11 -4.322 -3.236 -7.204 89 HZ1 LYS 11 3HZ LYS 11 -3.778 -5.527 -7.606 90 HZ2 LYS 11 1HZ LYS 11 -2.181 -5.125 -8.019 91 HZ3 LYS 11 2HZ LYS 11 -3.465 -4.628 -9.013 92 H LYS 12 H LYS 12 0.720 -3.182 -7.955 93 HA LYS 12 HA LYS 12 -0.903 -5.289 -6.844 94 HB2 LYS 12 2HB LYS 12 -0.326 -5.209 -9.231 95 HB3 LYS 12 1HB LYS 12 1.376 -5.446 -8.831 96 HG2 LYS 12 2HG LYS 12 0.839 -7.624 -7.794 97 HG3 LYS 12 1HG LYS 12 -0.867 -7.389 -8.188 98 HD2 LYS 12 2HD LYS 12 -0.495 -7.602 -10.500 99 HD3 LYS 12 1HD LYS 12 1.221 -7.238 -10.352 100 HE2 LYS 12 2HE LYS 12 0.444 -9.642 -8.843 101 HE3 LYS 12 1HE LYS 12 0.149 -9.785 -10.579 102 HZ1 LYS 12 3HZ LYS 12 2.332 -9.629 -11.064 103 HZ2 LYS 12 1HZ LYS 12 2.514 -10.240 -9.492 104 HZ3 LYS 12 2HZ LYS 12 2.672 -8.571 -9.779 105 H ASP 13 H ASP 13 2.606 -4.696 -6.822 106 HA ASP 13 HA ASP 13 3.423 -7.047 -5.536 107 HB2 ASP 13 2HB ASP 13 4.834 -5.111 -6.443 108 HB3 ASP 13 1HB ASP 13 4.604 -4.364 -4.867 109 H CYS 14 H CYS 14 1.321 -4.701 -4.260 110 HA CYS 14 HA CYS 14 2.109 -5.299 -1.456 111 HB2 CYS 14 2HB CYS 14 1.538 -2.997 -1.778 112 HB3 CYS 14 1HB CYS 14 0.064 -3.411 -2.652 113 H CYS 15 H CYS 15 0.624 -6.342 -0.023 114 HA CYS 15 HA CYS 15 -0.779 -8.532 -1.167 115 HB2 CYS 15 2HB CYS 15 -0.173 -7.556 1.457 116 HB3 CYS 15 1HB CYS 15 -1.867 -8.035 1.406 117 H CYS 16 H CYS 16 -2.773 -8.823 -1.851 118 HA CYS 16 HA CYS 16 -4.510 -6.813 -2.708 119 HB2 CYS 16 2HB CYS 16 -5.963 -9.203 -1.845 120 HB3 CYS 16 1HB CYS 16 -5.678 -8.600 -3.472 121 H GLY 17 H GLY 17 -4.204 -5.485 -0.563 122 HA2 GLY 17 2HA GLY 17 -6.721 -5.260 0.741 123 HA3 GLY 17 1HA GLY 17 -5.639 -6.159 1.801 124 H TYR 18 H TYR 18 -3.241 -4.809 0.697 125 HA TYR 18 HA TYR 18 -3.620 -2.208 2.212 126 HB2 TYR 18 2HB TYR 18 -1.169 -3.907 1.714 127 HB3 TYR 18 1HB TYR 18 -1.127 -2.325 2.479 128 HD1 TYR 18 2HD TYR 18 -2.267 -5.788 2.745 129 HD2 TYR 18 1HD TYR 18 -1.990 -1.992 4.708 130 HE1 TYR 18 2HE TYR 18 -2.919 -6.861 4.896 131 HE2 TYR 18 1HE TYR 18 -2.638 -3.050 6.860 132 HH TYR 18 HH TYR 18 -2.690 -6.435 7.298 133 H ASN 19 H ASN 19 -2.609 -0.308 1.370 134 HA ASN 19 HA ASN 19 -2.371 -0.320 -1.600 135 HB2 ASN 19 2HB ASN 19 -3.718 1.486 -1.374 136 HB3 ASN 19 1HB ASN 19 -3.509 1.471 0.373 137 HD21 ASN 19 1HD2 ASN 19 -2.154 2.775 -2.640 138 HD22 ASN 19 2HD2 ASN 19 -1.240 3.992 -1.894 139 H CYS 20 H CYS 20 -0.404 0.159 -2.555 140 HA CYS 20 HA CYS 20 1.933 0.346 -0.803 141 HB2 CYS 20 2HB CYS 20 1.946 -0.969 -2.911 142 HB3 CYS 20 1HB CYS 20 1.780 0.527 -3.824 143 H VAL 21 H VAL 21 2.717 2.182 -0.042 144 HA VAL 21 HA VAL 21 2.313 4.712 -1.595 145 HB VAL 21 HB VAL 21 2.102 4.188 1.379 146 HG11 VAL 21 1HG1 VAL 21 3.384 6.172 1.304 147 HG12 VAL 21 2HG1 VAL 21 1.722 6.746 1.434 148 HG13 VAL 21 3HG1 VAL 21 2.543 6.766 -0.127 149 HG21 VAL 21 3HG2 VAL 21 -0.131 4.697 1.147 150 HG22 VAL 21 1HG2 VAL 21 0.162 4.078 -0.480 151 HG23 VAL 21 2HG2 VAL 21 0.150 5.818 -0.187 152 H TYR 22 H TYR 22 4.180 5.855 -1.996 153 HA TYR 22 HA TYR 22 6.711 4.679 -1.091 154 HB2 TYR 22 2HB TYR 22 6.416 6.024 -3.213 155 HB3 TYR 22 1HB TYR 22 6.288 7.466 -2.202 156 HD1 TYR 22 2HD TYR 22 8.494 4.520 -2.869 157 HD2 TYR 22 1HD TYR 22 8.234 8.565 -1.445 158 HE1 TYR 22 2HE TYR 22 10.963 4.609 -2.674 159 HE2 TYR 22 1HE TYR 22 10.706 8.651 -1.246 160 HH TYR 22 HH TYR 22 12.741 6.510 -2.705 161 H ALA 23 H ALA 23 7.837 5.147 0.781 162 HA ALA 23 HA ALA 23 6.586 7.014 2.681 163 HB1 ALA 23 1HB ALA 23 9.149 5.829 3.496 164 HB2 ALA 23 2HB ALA 23 7.974 4.610 2.947 165 HB3 ALA 23 3HB ALA 23 7.553 5.719 4.274 166 H TRP 24 H TRP 24 7.041 8.945 1.430 167 HA TRP 24 HA TRP 24 9.559 9.824 0.555 168 HB2 TRP 24 2HB TRP 24 8.130 12.086 1.598 169 HB3 TRP 24 1HB TRP 24 8.295 11.575 -0.082 170 HD1 TRP 24 HD TRP 24 6.210 10.518 3.001 171 HE1 TRP 24 1HE TRP 24 3.839 9.916 2.202 172 HE3 TRP 24 3HE TRP 24 6.779 11.224 -2.021 173 HZ2 TRP 24 2HZ TRP 24 2.371 9.760 -0.250 174 HZ3 TRP 24 3HZ TRP 24 4.879 10.843 -3.566 175 HH2 TRP 24 HH TRP 24 2.678 10.112 -2.687 176 H TYR 25 H TYR 25 8.159 9.991 3.860 177 HA TYR 25 HA TYR 25 10.340 11.720 4.810 178 HB2 TYR 25 2HB TYR 25 9.498 11.203 7.065 179 HB3 TYR 25 1HB TYR 25 8.185 11.634 5.973 180 HD1 TYR 25 2HD TYR 25 6.668 9.899 5.081 181 HD2 TYR 25 1HD TYR 25 9.689 8.972 7.990 182 HE1 TYR 25 2HE TYR 25 5.520 7.766 5.592 183 HE2 TYR 25 1HE TYR 25 8.532 6.839 8.509 184 HH TYR 25 HH TYR 25 6.836 5.264 6.991 185 H ASN 26 H ASN 26 10.035 8.244 4.437 186 HA ASN 26 HA ASN 26 12.827 8.010 5.487 187 HB2 ASN 26 2HB ASN 26 12.169 5.750 6.398 188 HB3 ASN 26 1HB ASN 26 11.431 7.112 7.243 189 HD21 ASN 26 1HD2 ASN 26 9.339 7.781 5.456 190 HD22 ASN 26 2HD2 ASN 26 8.255 6.483 5.361 191 H GLN 27 H GLN 27 11.157 7.996 2.826 192 HA GLN 27 HA GLN 27 11.456 7.047 0.716 193 HB2 GLN 27 2HB GLN 27 13.855 5.746 2.037 194 HB3 GLN 27 1HB GLN 27 13.572 5.875 0.304 195 HG2 GLN 27 2HG GLN 27 13.694 8.279 2.140 196 HG3 GLN 27 1HG GLN 27 15.094 7.668 1.258 197 HE21 GLN 27 1HE2 GLN 27 12.431 9.784 1.018 198 HE22 GLN 27 2HE2 GLN 27 12.447 10.000 -0.666 199 H GLN 28 H GLN 28 12.302 4.485 -0.048 200 HA GLN 28 HA GLN 28 11.465 2.318 -0.299 201 HB2 GLN 28 2HB GLN 28 10.859 2.580 2.665 202 HB3 GLN 28 1HB GLN 28 10.862 1.079 1.746 203 HG2 GLN 28 2HG GLN 28 13.354 2.413 1.248 204 HG3 GLN 28 1HG GLN 28 13.090 2.385 2.990 205 HE21 GLN 28 1HE2 GLN 28 13.226 0.346 4.071 206 HE22 GLN 28 2HE2 GLN 28 13.606 -1.102 3.271 207 H SER 29 H SER 29 9.261 0.999 0.489 208 HA SER 29 HA SER 29 6.986 2.919 0.185 209 HB2 SER 29 2HB SER 29 7.061 0.256 -1.234 210 HB3 SER 29 1HB SER 29 6.004 1.628 -1.545 211 HG SER 29 HG SER 29 7.723 1.436 -3.070 212 H SER 30 H SER 30 5.576 2.575 1.847 213 HA SER 30 HA SER 30 5.514 -0.096 3.088 214 HB2 SER 30 2HB SER 30 4.558 1.251 5.078 215 HB3 SER 30 1HB SER 30 6.283 1.375 4.748 216 HG SER 30 HG SER 30 4.719 3.127 3.325 217 H CYS 31 H CYS 31 3.702 -1.180 2.454 218 HA CYS 31 HA CYS 31 1.421 0.176 1.386 219 HB2 CYS 31 2HB CYS 31 2.262 -2.369 1.216 220 HB3 CYS 31 1HB CYS 31 1.047 -2.565 2.472 221 H GLU 32 H GLU 32 -0.632 0.563 2.305 222 HA GLU 32 HA GLU 32 -0.945 0.080 5.215 223 HB2 GLU 32 2HB GLU 32 -1.188 2.299 5.808 224 HB3 GLU 32 1HB GLU 32 0.028 2.446 4.540 225 HG2 GLU 32 2HG GLU 32 -1.627 3.072 2.914 226 HG3 GLU 32 1HG GLU 32 -2.928 2.659 4.022 227 H ARG 33 H ARG 33 -3.176 0.084 5.902 228 HA ARG 33 HA ARG 33 -5.013 -1.053 4.119 229 HB2 ARG 33 2HB ARG 33 -6.557 -0.935 5.835 230 HB3 ARG 33 1HB ARG 33 -5.078 -0.667 6.749 231 HG2 ARG 33 2HG ARG 33 -6.216 1.162 7.529 232 HG3 ARG 33 1HG ARG 33 -5.656 1.900 6.036 233 HD2 ARG 33 2HD ARG 33 -8.022 2.298 6.146 234 HD3 ARG 33 1HD ARG 33 -7.794 1.030 4.949 235 HE ARG 33 HE ARG 33 -8.278 0.080 7.640 236 HH11 ARG 33 1HH2 ARG 33 -9.607 1.106 4.646 237 HH12 ARG 33 2HH2 ARG 33 -11.119 0.293 4.870 238 HH21 ARG 33 2HH1 ARG 33 -10.259 -1.033 7.952 239 HH22 ARG 33 1HH1 ARG 33 -11.488 -0.912 6.738 240 H LYS 34 H LYS 34 -6.880 -0.156 2.988 241 HA LYS 34 HA LYS 34 -7.340 2.643 2.796 242 HB2 LYS 34 2HB LYS 34 -5.076 1.861 1.458 243 HB3 LYS 34 1HB LYS 34 -6.273 1.762 0.184 244 HG2 LYS 34 2HG LYS 34 -6.626 4.233 1.675 245 HG3 LYS 34 1HG LYS 34 -4.952 4.085 1.154 246 HD2 LYS 34 2HD LYS 34 -6.333 3.308 -1.121 247 HD3 LYS 34 1HD LYS 34 -7.383 4.552 -0.452 248 HE2 LYS 34 2HE LYS 34 -5.547 6.148 -0.416 249 HE3 LYS 34 1HE LYS 34 -4.407 4.900 -0.922 250 HZ1 LYS 34 3HZ LYS 34 -6.194 4.689 -2.853 251 HZ2 LYS 34 1HZ LYS 34 -4.880 5.757 -2.942 252 HZ3 LYS 34 2HZ LYS 34 -6.411 6.332 -2.478 253 H TRP 35 H TRP 35 -9.322 1.087 3.197 254 HA TRP 35 HA TRP 35 -10.532 0.458 0.541 255 HB2 TRP 35 2HB TRP 35 -10.832 -1.000 3.170 256 HB3 TRP 35 1HB TRP 35 -11.853 -1.303 1.762 257 HD1 TRP 35 HD TRP 35 -8.295 -1.761 3.052 258 HE1 TRP 35 1HE TRP 35 -7.017 -3.333 1.459 259 HE3 TRP 35 3HE TRP 35 -11.734 -2.209 -0.701 260 HZ2 TRP 35 2HZ TRP 35 -7.406 -4.613 -1.085 261 HZ3 TRP 35 3HZ TRP 35 -11.257 -3.613 -2.682 262 HH2 TRP 35 HH TRP 35 -9.100 -4.817 -2.876 263 H LYS 36 H LYS 36 -10.991 1.790 3.703 264 HA LYS 36 HA LYS 36 -12.692 3.130 4.603 265 HB2 LYS 36 2HB LYS 36 -12.907 3.794 1.663 266 HB3 LYS 36 1HB LYS 36 -13.807 4.650 2.914 267 HG2 LYS 36 2HG LYS 36 -11.703 5.267 4.026 268 HG3 LYS 36 1HG LYS 36 -10.790 4.391 2.796 269 HD2 LYS 36 2HD LYS 36 -11.737 5.875 1.052 270 HD3 LYS 36 1HD LYS 36 -12.603 6.771 2.301 271 HE2 LYS 36 2HE LYS 36 -9.590 6.458 2.136 272 HE3 LYS 36 1HE LYS 36 -10.494 7.907 1.694 273 HZ1 LYS 36 3HZ LYS 36 -10.369 8.518 3.804 274 HZ2 LYS 36 1HZ LYS 36 -9.656 7.049 4.254 275 HZ3 LYS 36 2HZ LYS 36 -11.349 7.196 4.225 276 H TYR 37 H TYR 37 -13.432 0.577 2.482 277 HA TYR 37 HA TYR 37 -16.391 0.895 3.081 278 HB2 TYR 37 2HB TYR 37 -14.917 -0.704 0.975 279 HB3 TYR 37 1HB TYR 37 -16.633 -0.923 1.320 280 HD1 TYR 37 1HD TYR 37 -18.137 1.175 1.260 281 HD2 TYR 37 2HD TYR 37 -14.213 1.026 -0.483 282 HE1 TYR 37 1HE TYR 37 -18.691 3.138 -0.151 283 HE2 TYR 37 2HE TYR 37 -14.766 2.993 -1.892 284 HH TYR 37 HH TYR 37 -17.994 4.511 -1.742 285 H LEU 38 H LEU 38 -13.989 -0.236 4.706 286 HA LEU 38 HA LEU 38 -13.900 -1.819 6.433 287 HB2 LEU 38 2HB LEU 38 -16.515 -1.563 6.221 288 HB3 LEU 38 1HB LEU 38 -16.417 -3.129 5.428 289 HG LEU 38 HG LEU 38 -14.823 -3.110 7.878 290 HD11 LEU 38 1HD1 LEU 38 -16.557 -1.415 8.530 291 HD12 LEU 38 2HD1 LEU 38 -16.615 -2.890 9.493 292 HD13 LEU 38 3HD1 LEU 38 -17.797 -2.629 8.211 293 HD21 LEU 38 3HD2 LEU 38 -17.185 -4.701 6.837 294 HD22 LEU 38 1HD2 LEU 38 -16.364 -5.068 8.355 295 HD23 LEU 38 2HD2 LEU 38 -15.486 -5.173 6.829 296 H PHE 39 H PHE 39 -15.129 -3.134 3.349 297 HA PHE 39 HA PHE 39 -14.612 -5.581 2.889 298 HB2 PHE 39 2HB PHE 39 -14.126 -3.570 1.251 299 HB3 PHE 39 1HB PHE 39 -12.449 -3.988 1.566 300 HD1 PHE 39 2HD PHE 39 -15.694 -5.760 0.861 301 HD2 PHE 39 1HD PHE 39 -11.470 -5.515 0.108 302 HE1 PHE 39 2HE PHE 39 -15.869 -7.647 -0.738 303 HE2 PHE 39 1HE PHE 39 -11.648 -7.398 -1.492 304 HZ PHE 39 HZ PHE 39 -13.846 -8.464 -1.917 305 H THR 40 H THR 40 -11.396 -4.356 2.619 306 HA THR 40 HA THR 40 -9.374 -5.391 3.312 307 HB THR 40 HB THR 40 -9.030 -5.084 5.697 308 HG1 THR 40 1HG THR 40 -10.693 -5.851 6.769 309 HG21 THR 40 3HG2 THR 40 -9.119 -2.844 5.414 310 HG22 THR 40 1HG2 THR 40 -10.878 -2.869 5.533 311 HG23 THR 40 2HG2 THR 40 -10.101 -3.106 3.971 312 H GLY 41 H GLY 41 -9.115 -6.958 5.807 313 HA2 GLY 41 2HA GLY 41 -9.656 -9.124 6.682 314 HA3 GLY 41 1HA GLY 41 -10.720 -9.395 5.303 315 H GLU 42 H GLU 42 -7.254 -8.970 6.064 316 HA GLU 42 HA GLU 42 -5.357 -9.743 4.911 317 HB2 GLU 42 2HB GLU 42 -5.674 -12.379 4.492 318 HB3 GLU 42 1HB GLU 42 -5.413 -11.708 6.096 319 HG2 GLU 42 2HG GLU 42 -8.178 -12.150 4.962 320 HG3 GLU 42 1HG GLU 42 -7.327 -13.373 5.886 321 H CYS 43 H CYS 43 -4.515 -9.975 2.833 322 HA CYS 43 HA CYS 43 -6.290 -9.504 0.645 323 HB2 CYS 43 2HB CYS 43 -4.259 -8.932 -0.164 324 HB3 CYS 43 1HB CYS 43 -3.412 -9.905 0.997 325 HXT CYS 43 2HT CYS 43 -7.745 -11.069 0.354 Start of MODEL 16 1 H1 CYS 1 1H CYS 1 5.642 -9.171 -1.316 2 H2 CYS 1 2H CYS 1 4.430 -10.237 -0.848 3 H3 CYS 1 3H CYS 1 4.602 -9.818 -2.467 4 HA CYS 1 HA CYS 1 4.005 -7.541 -1.981 5 HB2 CYS 1 2HB CYS 1 1.670 -7.929 -1.659 6 HB3 CYS 1 1HB CYS 1 2.267 -9.355 -2.491 7 H GLY 2 H GLY 2 3.928 -5.906 -0.428 8 HA2 GLY 2 2HA GLY 2 4.754 -6.605 2.275 9 HA3 GLY 2 1HA GLY 2 4.386 -4.979 1.700 10 H SER 3 H SER 3 3.531 -6.309 4.214 11 HA SER 3 HA SER 3 0.564 -6.372 3.813 12 HB2 SER 3 2HB SER 3 2.040 -7.338 6.266 13 HB3 SER 3 1HB SER 3 0.405 -7.740 5.747 14 HG SER 3 HG SER 3 1.761 -9.431 5.205 15 H LYS 4 H LYS 4 -0.158 -5.908 6.490 16 HA LYS 4 HA LYS 4 -0.206 -3.071 6.629 17 HB2 LYS 4 2HB LYS 4 -1.917 -4.089 7.858 18 HB3 LYS 4 1HB LYS 4 -0.850 -5.316 8.520 19 HG2 LYS 4 2HG LYS 4 0.082 -3.771 10.098 20 HG3 LYS 4 1HG LYS 4 -0.691 -2.394 9.312 21 HD2 LYS 4 2HD LYS 4 -2.872 -3.140 10.090 22 HD3 LYS 4 1HD LYS 4 -2.232 -4.692 10.547 23 HE2 LYS 4 2HE LYS 4 -2.459 -2.246 12.047 24 HE3 LYS 4 1HE LYS 4 -1.886 -3.818 12.601 25 HZ1 LYS 4 3HZ LYS 4 0.295 -3.290 12.119 26 HZ2 LYS 4 1HZ LYS 4 -0.307 -1.817 12.705 27 HZ3 LYS 4 2HZ LYS 4 -0.122 -2.051 11.034 28 H ARG 5 H ARG 5 2.371 -3.361 6.172 29 HA ARG 5 HA ARG 5 3.937 -1.794 7.514 30 HB2 ARG 5 2HB ARG 5 4.870 -2.778 9.567 31 HB3 ARG 5 1HB ARG 5 3.141 -2.536 9.730 32 HG2 ARG 5 2HG ARG 5 2.854 -4.994 9.078 33 HG3 ARG 5 1HG ARG 5 4.598 -5.142 9.209 34 HD2 ARG 5 2HD ARG 5 4.532 -4.421 11.538 35 HD3 ARG 5 1HD ARG 5 2.788 -4.182 11.437 36 HE ARG 5 HE ARG 5 4.181 -6.789 11.540 37 HH11 ARG 5 1HH2 ARG 5 1.299 -4.943 11.068 38 HH12 ARG 5 2HH2 ARG 5 0.240 -6.289 11.328 39 HH21 ARG 5 2HH1 ARG 5 2.806 -8.554 11.865 40 HH22 ARG 5 1HH1 ARG 5 1.092 -8.327 11.775 41 H ALA 6 H ALA 6 4.740 -2.456 5.377 42 HA ALA 6 HA ALA 6 7.200 -3.936 5.624 43 HB1 ALA 6 1HB ALA 6 5.079 -5.347 4.004 44 HB2 ALA 6 2HB ALA 6 5.482 -5.806 5.653 45 HB3 ALA 6 3HB ALA 6 6.699 -5.928 4.383 46 H TRP 7 H TRP 7 8.495 -3.711 3.814 47 HA TRP 7 HA TRP 7 8.223 -1.508 2.161 48 HB2 TRP 7 2HB TRP 7 10.351 -2.541 2.346 49 HB3 TRP 7 1HB TRP 7 9.737 -4.083 1.753 50 HD1 TRP 7 HD TRP 7 10.024 -0.441 0.445 51 HE1 TRP 7 1HE TRP 7 10.589 -0.551 -2.072 52 HE3 TRP 7 3HE TRP 7 10.018 -5.496 -0.234 53 HZ2 TRP 7 2HZ TRP 7 10.987 -2.532 -4.101 54 HZ3 TRP 7 3HZ TRP 7 10.494 -6.471 -2.459 55 HH2 TRP 7 HH TRP 7 10.979 -4.999 -4.393 56 H CYS 8 H CYS 8 7.686 -1.158 0.020 57 HA CYS 8 HA CYS 8 5.771 -3.140 -1.206 58 HB2 CYS 8 2HB CYS 8 5.543 -0.275 -0.556 59 HB3 CYS 8 1HB CYS 8 5.137 -0.627 -2.229 60 H LYS 9 H LYS 9 5.811 -3.207 -3.571 61 HA LYS 9 HA LYS 9 8.319 -2.089 -4.766 62 HB2 LYS 9 2HB LYS 9 8.313 -4.521 -4.842 63 HB3 LYS 9 1HB LYS 9 6.700 -4.533 -5.545 64 HG2 LYS 9 2HG LYS 9 8.389 -4.896 -7.287 65 HG3 LYS 9 1HG LYS 9 7.572 -3.358 -7.547 66 HD2 LYS 9 2HD LYS 9 9.425 -2.117 -6.695 67 HD3 LYS 9 1HD LYS 9 10.174 -3.564 -6.021 68 HE2 LYS 9 2HE LYS 9 9.674 -3.239 -8.983 69 HE3 LYS 9 1HE LYS 9 11.166 -2.696 -8.216 70 HZ1 LYS 9 3HZ LYS 9 10.404 -5.355 -7.458 71 HZ2 LYS 9 1HZ LYS 9 11.896 -4.774 -8.014 72 HZ3 LYS 9 2HZ LYS 9 10.686 -5.202 -9.126 73 H GLU 10 H GLU 10 4.841 -2.354 -5.056 74 HA GLU 10 HA GLU 10 4.687 -0.012 -6.731 75 HB2 GLU 10 2HB GLU 10 5.296 -1.919 -8.366 76 HB3 GLU 10 1HB GLU 10 3.662 -2.491 -8.112 77 HG2 GLU 10 2HG GLU 10 3.465 0.306 -8.577 78 HG3 GLU 10 1HG GLU 10 4.599 -0.306 -9.777 79 H LYS 11 H LYS 11 2.247 -0.166 -7.754 80 HA LYS 11 HA LYS 11 0.571 0.040 -5.426 81 HB2 LYS 11 2HB LYS 11 0.181 1.336 -7.480 82 HB3 LYS 11 1HB LYS 11 -0.323 -0.135 -8.314 83 HG2 LYS 11 2HG LYS 11 -2.147 -0.463 -6.727 84 HG3 LYS 11 1HG LYS 11 -1.619 0.932 -5.787 85 HD2 LYS 11 2HD LYS 11 -2.356 1.153 -8.713 86 HD3 LYS 11 1HD LYS 11 -3.559 1.314 -7.435 87 HE2 LYS 11 2HE LYS 11 -1.328 2.960 -6.719 88 HE3 LYS 11 1HE LYS 11 -1.732 3.301 -8.401 89 HZ1 LYS 11 3HZ LYS 11 -3.748 3.201 -6.230 90 HZ2 LYS 11 1HZ LYS 11 -3.965 3.763 -7.814 91 HZ3 LYS 11 2HZ LYS 11 -2.985 4.633 -6.732 92 H LYS 12 H LYS 12 0.534 -2.444 -8.082 93 HA LYS 12 HA LYS 12 -1.461 -4.005 -6.580 94 HB2 LYS 12 2HB LYS 12 -1.483 -3.936 -9.080 95 HB3 LYS 12 1HB LYS 12 0.063 -4.787 -9.086 96 HG2 LYS 12 2HG LYS 12 -0.934 -6.692 -7.930 97 HG3 LYS 12 1HG LYS 12 -2.470 -5.838 -7.784 98 HD2 LYS 12 2HD LYS 12 -2.647 -5.771 -10.257 99 HD3 LYS 12 1HD LYS 12 -1.129 -6.663 -10.377 100 HE2 LYS 12 2HE LYS 12 -2.111 -8.553 -9.160 101 HE3 LYS 12 1HE LYS 12 -3.618 -7.661 -8.959 102 HZ1 LYS 12 3HZ LYS 12 -3.566 -9.283 -10.845 103 HZ2 LYS 12 1HZ LYS 12 -2.447 -8.263 -11.613 104 HZ3 LYS 12 2HZ LYS 12 -4.011 -7.698 -11.264 105 H ASP 13 H ASP 13 1.883 -3.661 -6.554 106 HA ASP 13 HA ASP 13 2.649 -6.365 -5.958 107 HB2 ASP 13 2HB ASP 13 3.864 -3.645 -5.733 108 HB3 ASP 13 1HB ASP 13 4.643 -4.994 -4.936 109 H CYS 14 H CYS 14 0.761 -4.203 -4.225 110 HA CYS 14 HA CYS 14 1.833 -4.901 -1.566 111 HB2 CYS 14 2HB CYS 14 0.685 -2.677 -2.068 112 HB3 CYS 14 1HB CYS 14 -0.815 -3.570 -2.183 113 H CYS 15 H CYS 15 0.708 -6.252 -0.065 114 HA CYS 15 HA CYS 15 -0.472 -8.569 -1.117 115 HB2 CYS 15 2HB CYS 15 -0.813 -7.354 1.633 116 HB3 CYS 15 1HB CYS 15 -1.079 -9.030 1.197 117 H CYS 16 H CYS 16 -2.648 -9.224 -1.266 118 HA CYS 16 HA CYS 16 -4.546 -7.357 -2.156 119 HB2 CYS 16 2HB CYS 16 -4.466 -10.174 -1.527 120 HB3 CYS 16 1HB CYS 16 -5.977 -9.494 -0.945 121 H GLY 17 H GLY 17 -5.953 -5.988 -1.122 122 HA2 GLY 17 2HA GLY 17 -7.360 -5.269 0.697 123 HA3 GLY 17 1HA GLY 17 -6.491 -6.362 1.774 124 H TYR 18 H TYR 18 -4.146 -4.922 -0.053 125 HA TYR 18 HA TYR 18 -3.956 -2.530 1.806 126 HB2 TYR 18 2HB TYR 18 -1.822 -4.582 1.213 127 HB3 TYR 18 1HB TYR 18 -1.483 -3.010 1.936 128 HD1 TYR 18 1HD TYR 18 -2.655 -2.394 4.085 129 HD2 TYR 18 2HD TYR 18 -2.573 -6.378 2.517 130 HE1 TYR 18 1HE TYR 18 -3.191 -3.286 6.335 131 HE2 TYR 18 2HE TYR 18 -3.095 -7.280 4.768 132 HH TYR 18 HH TYR 18 -3.043 -6.696 7.041 133 H ASN 19 H ASN 19 -2.801 -0.762 0.945 134 HA ASN 19 HA ASN 19 -2.374 -0.858 -2.017 135 HB2 ASN 19 2HB ASN 19 -4.073 0.771 -1.294 136 HB3 ASN 19 1HB ASN 19 -2.914 1.498 -0.178 137 HD21 ASN 19 1HD2 ASN 19 -2.092 3.397 -1.043 138 HD22 ASN 19 2HD2 ASN 19 -1.725 3.650 -2.681 139 H CYS 20 H CYS 20 -0.357 -0.024 -2.832 140 HA CYS 20 HA CYS 20 1.799 0.028 -0.829 141 HB2 CYS 20 2HB CYS 20 1.574 -0.288 -3.768 142 HB3 CYS 20 1HB CYS 20 3.077 0.322 -3.149 143 H VAL 21 H VAL 21 2.945 1.880 -0.316 144 HA VAL 21 HA VAL 21 2.300 4.368 -1.843 145 HB VAL 21 HB VAL 21 2.160 3.941 1.144 146 HG11 VAL 21 1HG1 VAL 21 3.340 5.971 1.045 147 HG12 VAL 21 2HG1 VAL 21 1.660 6.508 1.062 148 HG13 VAL 21 3HG1 VAL 21 2.558 6.462 -0.456 149 HG21 VAL 21 3HG2 VAL 21 0.178 3.601 -0.522 150 HG22 VAL 21 1HG2 VAL 21 0.181 5.360 -0.631 151 HG23 VAL 21 2HG2 VAL 21 -0.090 4.574 0.922 152 H TYR 22 H TYR 22 3.979 5.732 -2.205 153 HA TYR 22 HA TYR 22 6.684 4.773 -1.657 154 HB2 TYR 22 2HB TYR 22 5.728 6.424 -3.474 155 HB3 TYR 22 1HB TYR 22 6.021 7.652 -2.249 156 HD1 TYR 22 2HD TYR 22 8.503 6.410 -0.986 157 HD2 TYR 22 1HD TYR 22 7.375 6.999 -5.082 158 HE1 TYR 22 2HE TYR 22 10.891 6.509 -1.623 159 HE2 TYR 22 1HE TYR 22 9.767 7.093 -5.727 160 HH TYR 22 HH TYR 22 12.036 6.056 -4.532 161 H ALA 23 H ALA 23 7.243 4.610 0.483 162 HA ALA 23 HA ALA 23 6.568 6.768 2.404 163 HB1 ALA 23 1HB ALA 23 7.364 3.906 2.571 164 HB2 ALA 23 2HB ALA 23 6.212 4.808 3.553 165 HB3 ALA 23 3HB ALA 23 7.938 4.947 3.871 166 H TRP 24 H TRP 24 8.773 6.492 4.070 167 HA TRP 24 HA TRP 24 10.594 8.100 4.113 168 HB2 TRP 24 2HB TRP 24 11.096 5.314 3.750 169 HB3 TRP 24 1HB TRP 24 12.357 6.188 2.895 170 HD1 TRP 24 HD TRP 24 11.560 8.466 5.533 171 HE1 TRP 24 1HE TRP 24 13.060 8.137 7.594 172 HE3 TRP 24 3HE TRP 24 13.445 3.829 4.520 173 HZ2 TRP 24 2HZ TRP 24 14.824 6.158 8.689 174 HZ3 TRP 24 3HZ TRP 24 15.026 2.745 6.087 175 HH2 TRP 24 HH TRP 24 15.717 3.900 8.170 176 H TYR 25 H TYR 25 10.297 9.794 2.757 177 HA TYR 25 HA TYR 25 10.276 9.802 -0.065 178 HB2 TYR 25 2HB TYR 25 10.737 12.117 0.071 179 HB3 TYR 25 1HB TYR 25 9.941 11.730 1.593 180 HD1 TYR 25 2HD TYR 25 12.047 10.503 3.231 181 HD2 TYR 25 1HD TYR 25 12.304 13.795 0.474 182 HE1 TYR 25 2HE TYR 25 13.995 11.387 4.466 183 HE2 TYR 25 1HE TYR 25 14.262 14.671 1.714 184 HH TYR 25 HH TYR 25 16.039 13.762 3.232 185 H ASN 26 H ASN 26 12.723 8.470 1.629 186 HA ASN 26 HA ASN 26 14.983 9.516 0.098 187 HB2 ASN 26 2HB ASN 26 14.992 6.930 1.646 188 HB3 ASN 26 1HB ASN 26 16.296 8.091 1.418 189 HD21 ASN 26 1HD2 ASN 26 12.930 8.227 2.716 190 HD22 ASN 26 2HD2 ASN 26 13.350 9.112 4.101 191 H GLN 27 H GLN 27 13.366 6.328 0.326 192 HA GLN 27 HA GLN 27 13.020 5.868 -2.390 193 HB2 GLN 27 2HB GLN 27 15.081 5.528 -3.259 194 HB3 GLN 27 1HB GLN 27 15.803 5.838 -1.690 195 HG2 GLN 27 2HG GLN 27 14.762 3.123 -2.546 196 HG3 GLN 27 1HG GLN 27 16.437 3.636 -2.688 197 HE21 GLN 27 1HE2 GLN 27 14.733 4.934 0.051 198 HE22 GLN 27 2HE2 GLN 27 15.432 3.924 1.223 199 H GLN 28 H GLN 28 11.805 5.265 0.117 200 HA GLN 28 HA GLN 28 11.846 2.260 0.079 201 HB2 GLN 28 2HB GLN 28 12.694 3.447 2.181 202 HB3 GLN 28 1HB GLN 28 11.039 3.993 2.407 203 HG2 GLN 28 2HG GLN 28 11.215 2.013 3.703 204 HG3 GLN 28 1HG GLN 28 10.352 1.533 2.243 205 HE21 GLN 28 1HE2 GLN 28 11.088 -0.582 1.871 206 HE22 GLN 28 2HE2 GLN 28 12.725 -1.015 1.753 207 H SER 29 H SER 29 9.790 1.232 0.499 208 HA SER 29 HA SER 29 7.379 2.944 0.097 209 HB2 SER 29 2HB SER 29 7.643 0.250 -1.198 210 HB3 SER 29 1HB SER 29 6.521 1.544 -1.568 211 HG SER 29 HG SER 29 8.630 2.735 -2.026 212 H SER 30 H SER 30 5.465 2.054 1.128 213 HA SER 30 HA SER 30 5.855 -0.400 2.669 214 HB2 SER 30 2HB SER 30 6.533 1.475 4.151 215 HB3 SER 30 1HB SER 30 4.937 2.186 3.932 216 HG SER 30 HG SER 30 4.051 0.321 4.869 217 H CYS 31 H CYS 31 4.004 -1.611 2.849 218 HA CYS 31 HA CYS 31 1.702 -0.897 1.277 219 HB2 CYS 31 2HB CYS 31 2.469 -3.144 3.076 220 HB3 CYS 31 1HB CYS 31 0.745 -2.912 2.788 221 H GLU 32 H GLU 32 -0.340 -0.171 1.959 222 HA GLU 32 HA GLU 32 -0.785 0.349 4.830 223 HB2 GLU 32 2HB GLU 32 -0.561 2.611 4.754 224 HB3 GLU 32 1HB GLU 32 0.294 2.357 3.237 225 HG2 GLU 32 2HG GLU 32 -1.775 2.637 1.978 226 HG3 GLU 32 1HG GLU 32 -2.691 2.766 3.477 227 H ARG 33 H ARG 33 -2.967 0.258 5.352 228 HA ARG 33 HA ARG 33 -4.810 -0.936 3.549 229 HB2 ARG 33 2HB ARG 33 -6.462 -0.596 5.247 230 HB3 ARG 33 1HB ARG 33 -4.939 -0.870 6.088 231 HG2 ARG 33 2HG ARG 33 -5.329 1.068 7.191 232 HG3 ARG 33 1HG ARG 33 -4.983 1.903 5.679 233 HD2 ARG 33 2HD ARG 33 -7.138 2.672 6.391 234 HD3 ARG 33 1HD ARG 33 -7.429 1.542 5.070 235 HE ARG 33 HE ARG 33 -8.332 -0.020 6.642 236 HH11 ARG 33 1HH2 ARG 33 -6.967 2.801 8.098 237 HH12 ARG 33 2HH2 ARG 33 -7.621 2.467 9.667 238 HH21 ARG 33 2HH1 ARG 33 -9.180 -0.471 8.692 239 HH22 ARG 33 1HH1 ARG 33 -8.869 0.617 10.020 240 H LYS 34 H LYS 34 -7.080 0.283 3.076 241 HA LYS 34 HA LYS 34 -7.146 3.064 2.725 242 HB2 LYS 34 2HB LYS 34 -5.765 1.549 0.570 243 HB3 LYS 34 1HB LYS 34 -6.939 2.748 0.035 244 HG2 LYS 34 2HG LYS 34 -5.489 4.110 1.999 245 HG3 LYS 34 1HG LYS 34 -4.268 3.135 1.192 246 HD2 LYS 34 2HD LYS 34 -4.274 5.055 -0.130 247 HD3 LYS 34 1HD LYS 34 -5.379 4.008 -1.015 248 HE2 LYS 34 2HE LYS 34 -7.091 5.455 -0.706 249 HE3 LYS 34 1HE LYS 34 -6.805 5.518 1.030 250 HZ1 LYS 34 3HZ LYS 34 -4.730 6.890 -0.235 251 HZ2 LYS 34 1HZ LYS 34 -5.941 7.518 0.774 252 HZ3 LYS 34 2HZ LYS 34 -6.189 7.445 -0.905 253 H TRP 35 H TRP 35 -9.318 2.888 3.172 254 HA TRP 35 HA TRP 35 -10.992 1.440 1.151 255 HB2 TRP 35 2HB TRP 35 -12.722 1.461 3.101 256 HB3 TRP 35 1HB TRP 35 -11.418 0.275 3.125 257 HD1 TRP 35 HD TRP 35 -9.373 0.718 4.769 258 HE1 TRP 35 1HE TRP 35 -9.192 2.114 6.932 259 HE3 TRP 35 3HE TRP 35 -13.585 3.562 4.340 260 HZ2 TRP 35 2HZ TRP 35 -10.644 4.165 8.297 261 HZ3 TRP 35 3HZ TRP 35 -14.164 5.230 6.080 262 HH2 TRP 35 HH TRP 35 -12.700 5.533 8.058 263 H LYS 36 H LYS 36 -13.234 2.426 0.978 264 HA LYS 36 HA LYS 36 -14.681 4.252 0.709 265 HB2 LYS 36 2HB LYS 36 -14.583 5.857 2.296 266 HB3 LYS 36 1HB LYS 36 -13.085 5.144 2.862 267 HG2 LYS 36 2HG LYS 36 -11.816 6.569 1.275 268 HG3 LYS 36 1HG LYS 36 -13.326 7.301 0.741 269 HD2 LYS 36 2HD LYS 36 -12.495 7.316 3.644 270 HD3 LYS 36 1HD LYS 36 -12.003 8.585 2.525 271 HE2 LYS 36 2HE LYS 36 -14.471 8.871 1.951 272 HE3 LYS 36 1HE LYS 36 -14.823 7.825 3.327 273 HZ1 LYS 36 3HZ LYS 36 -13.993 9.354 4.816 274 HZ2 LYS 36 1HZ LYS 36 -14.754 10.352 3.673 275 HZ3 LYS 36 2HZ LYS 36 -13.065 10.166 3.646 276 H TYR 37 H TYR 37 -11.539 3.850 -0.400 277 HA TYR 37 HA TYR 37 -11.441 6.203 -2.168 278 HB2 TYR 37 2HB TYR 37 -9.537 5.108 -3.197 279 HB3 TYR 37 1HB TYR 37 -9.429 4.869 -1.454 280 HD1 TYR 37 2HD TYR 37 -10.262 2.680 -0.467 281 HD2 TYR 37 1HD TYR 37 -9.678 3.250 -4.681 282 HE1 TYR 37 2HE TYR 37 -10.253 0.222 -0.794 283 HE2 TYR 37 1HE TYR 37 -9.664 0.793 -5.009 284 HH TYR 37 HH TYR 37 -9.910 -1.193 -4.048 285 H LEU 38 H LEU 38 -13.953 5.224 -2.483 286 HA LEU 38 HA LEU 38 -15.335 5.069 -4.433 287 HB2 LEU 38 2HB LEU 38 -12.927 3.672 -5.609 288 HB3 LEU 38 1HB LEU 38 -14.460 3.851 -6.441 289 HG LEU 38 HG LEU 38 -12.932 6.217 -5.344 290 HD11 LEU 38 1HD1 LEU 38 -11.393 5.418 -6.911 291 HD12 LEU 38 2HD1 LEU 38 -12.391 6.479 -7.903 292 HD13 LEU 38 3HD1 LEU 38 -12.647 4.734 -7.946 293 HD21 LEU 38 3HD2 LEU 38 -15.514 5.858 -6.556 294 HD22 LEU 38 1HD2 LEU 38 -14.504 6.760 -7.684 295 HD23 LEU 38 2HD2 LEU 38 -14.751 7.361 -6.047 296 H PHE 39 H PHE 39 -16.914 3.520 -4.580 297 HA PHE 39 HA PHE 39 -16.845 1.251 -2.866 298 HB2 PHE 39 2HB PHE 39 -18.701 2.392 -4.849 299 HB3 PHE 39 1HB PHE 39 -18.817 0.642 -4.726 300 HD1 PHE 39 2HD PHE 39 -18.452 -0.068 -2.008 301 HD2 PHE 39 1HD PHE 39 -20.338 3.459 -3.581 302 HE1 PHE 39 2HE PHE 39 -19.765 0.163 0.081 303 HE2 PHE 39 1HE PHE 39 -21.656 3.683 -1.493 304 HZ PHE 39 HZ PHE 39 -21.368 2.036 0.338 305 H THR 40 H THR 40 -14.507 1.048 -4.442 306 HA THR 40 HA THR 40 -14.937 -0.832 -6.621 307 HB THR 40 HB THR 40 -12.414 -1.181 -6.375 308 HG1 THR 40 1HG THR 40 -12.718 0.985 -4.577 309 HG21 THR 40 3HG2 THR 40 -13.651 0.574 -7.830 310 HG22 THR 40 1HG2 THR 40 -11.932 0.817 -7.521 311 HG23 THR 40 2HG2 THR 40 -13.131 1.732 -6.610 312 H GLY 41 H GLY 41 -13.916 -3.063 -6.538 313 HA2 GLY 41 2HA GLY 41 -15.118 -4.646 -4.528 314 HA3 GLY 41 1HA GLY 41 -13.802 -5.197 -5.567 315 H GLU 42 H GLU 42 -13.418 -6.298 -3.300 316 HA GLU 42 HA GLU 42 -11.397 -4.620 -1.885 317 HB2 GLU 42 2HB GLU 42 -12.184 -5.499 0.282 318 HB3 GLU 42 1HB GLU 42 -13.457 -4.589 -0.530 319 HG2 GLU 42 2HG GLU 42 -13.549 -7.378 -1.346 320 HG3 GLU 42 1HG GLU 42 -13.607 -7.254 0.410 321 H CYS 43 H CYS 43 -9.917 -6.031 -0.549 322 HA CYS 43 HA CYS 43 -9.800 -8.858 -1.434 323 HB2 CYS 43 2HB CYS 43 -8.321 -6.935 -2.763 324 HB3 CYS 43 1HB CYS 43 -7.177 -7.521 -1.563 325 HXT CYS 43 2HT CYS 43 -10.389 -7.784 0.888 Start of MODEL 17 1 H1 CYS 1 1H CYS 1 5.356 -9.771 -1.061 2 H2 CYS 1 2H CYS 1 4.241 -10.779 -0.309 3 H3 CYS 1 3H CYS 1 4.260 -10.651 -1.985 4 HA CYS 1 HA CYS 1 3.592 -8.335 -1.849 5 HB2 CYS 1 2HB CYS 1 1.309 -8.731 -1.174 6 HB3 CYS 1 1HB CYS 1 1.874 -10.210 -1.935 7 H GLY 2 H GLY 2 3.941 -6.491 -0.583 8 HA2 GLY 2 2HA GLY 2 4.608 -6.851 2.241 9 HA3 GLY 2 1HA GLY 2 4.493 -5.308 1.394 10 H SER 3 H SER 3 3.112 -6.976 3.838 11 HA SER 3 HA SER 3 0.322 -6.092 3.266 12 HB2 SER 3 2HB SER 3 1.357 -7.667 5.642 13 HB3 SER 3 1HB SER 3 -0.320 -7.473 5.144 14 HG SER 3 HG SER 3 1.562 -8.521 3.345 15 H LYS 4 H LYS 4 -0.753 -5.143 5.427 16 HA LYS 4 HA LYS 4 -0.032 -2.629 6.032 17 HB2 LYS 4 2HB LYS 4 -1.713 -3.188 7.488 18 HB3 LYS 4 1HB LYS 4 -1.111 -4.827 7.693 19 HG2 LYS 4 2HG LYS 4 0.807 -3.288 9.011 20 HG3 LYS 4 1HG LYS 4 -0.691 -2.445 9.374 21 HD2 LYS 4 2HD LYS 4 -1.606 -4.261 10.509 22 HD3 LYS 4 1HD LYS 4 -0.627 -5.438 9.640 23 HE2 LYS 4 2HE LYS 4 1.335 -4.047 10.922 24 HE3 LYS 4 1HE LYS 4 0.018 -3.891 12.085 25 HZ1 LYS 4 3HZ LYS 4 -0.278 -6.291 12.008 26 HZ2 LYS 4 1HZ LYS 4 1.299 -5.890 12.488 27 HZ3 LYS 4 2HZ LYS 4 1.005 -6.430 10.904 28 H ARG 5 H ARG 5 1.839 -1.580 6.656 29 HA ARG 5 HA ARG 5 4.042 -1.293 7.435 30 HB2 ARG 5 2HB ARG 5 3.113 -1.969 9.584 31 HB3 ARG 5 1HB ARG 5 3.205 -3.661 9.128 32 HG2 ARG 5 2HG ARG 5 5.738 -3.272 8.870 33 HG3 ARG 5 1HG ARG 5 5.463 -1.772 9.747 34 HD2 ARG 5 2HD ARG 5 6.111 -3.612 11.271 35 HD3 ARG 5 1HD ARG 5 4.486 -3.021 11.622 36 HE ARG 5 HE ARG 5 3.864 -5.055 9.992 37 HH11 ARG 5 1HH2 ARG 5 6.282 -4.863 12.442 38 HH12 ARG 5 2HH2 ARG 5 6.206 -6.551 12.814 39 HH21 ARG 5 2HH1 ARG 5 3.750 -7.232 10.469 40 HH22 ARG 5 1HH1 ARG 5 4.774 -7.894 11.700 41 H ALA 6 H ALA 6 4.762 -1.969 5.239 42 HA ALA 6 HA ALA 6 6.780 -3.953 5.274 43 HB1 ALA 6 1HB ALA 6 4.964 -5.602 5.410 44 HB2 ALA 6 2HB ALA 6 5.783 -5.717 3.857 45 HB3 ALA 6 3HB ALA 6 4.218 -4.916 3.969 46 H TRP 7 H TRP 7 8.112 -3.453 3.665 47 HA TRP 7 HA TRP 7 7.859 -1.398 1.831 48 HB2 TRP 7 2HB TRP 7 10.015 -2.217 2.003 49 HB3 TRP 7 1HB TRP 7 9.488 -3.897 1.985 50 HD1 TRP 7 HD TRP 7 9.262 -0.968 -0.544 51 HE1 TRP 7 1HE TRP 7 9.932 -1.889 -2.866 52 HE3 TRP 7 3HE TRP 7 10.262 -5.815 0.693 53 HZ2 TRP 7 2HZ TRP 7 10.807 -4.366 -4.027 54 HZ3 TRP 7 3HZ TRP 7 11.025 -7.430 -1.025 55 HH2 TRP 7 HH TRP 7 11.298 -6.712 -3.381 56 H CYS 8 H CYS 8 6.835 -1.080 -0.063 57 HA CYS 8 HA CYS 8 5.393 -3.420 -1.332 58 HB2 CYS 8 2HB CYS 8 3.810 -1.717 -2.190 59 HB3 CYS 8 1HB CYS 8 3.911 -1.614 -0.439 60 H LYS 9 H LYS 9 5.939 -3.797 -3.521 61 HA LYS 9 HA LYS 9 8.071 -2.096 -4.673 62 HB2 LYS 9 2HB LYS 9 7.956 -4.721 -4.690 63 HB3 LYS 9 1HB LYS 9 6.888 -4.493 -6.069 64 HG2 LYS 9 2HG LYS 9 9.337 -2.852 -6.224 65 HG3 LYS 9 1HG LYS 9 9.664 -4.580 -6.186 66 HD2 LYS 9 2HD LYS 9 8.476 -4.986 -8.165 67 HD3 LYS 9 1HD LYS 9 7.547 -3.501 -8.024 68 HE2 LYS 9 2HE LYS 9 9.803 -2.278 -8.316 69 HE3 LYS 9 1HE LYS 9 10.411 -3.834 -8.884 70 HZ1 LYS 9 3HZ LYS 9 9.626 -3.164 -10.850 71 HZ2 LYS 9 1HZ LYS 9 8.631 -1.970 -10.174 72 HZ3 LYS 9 2HZ LYS 9 8.097 -3.581 -10.239 73 H GLU 10 H GLU 10 4.711 -3.002 -5.323 74 HA GLU 10 HA GLU 10 4.447 -0.626 -7.080 75 HB2 GLU 10 2HB GLU 10 2.970 -2.970 -8.125 76 HB3 GLU 10 1HB GLU 10 3.803 -1.695 -9.002 77 HG2 GLU 10 2HG GLU 10 5.803 -2.844 -9.043 78 HG3 GLU 10 1HG GLU 10 5.458 -3.714 -7.552 79 H LYS 11 H LYS 11 1.996 -0.552 -7.751 80 HA LYS 11 HA LYS 11 0.419 -0.293 -5.391 81 HB2 LYS 11 2HB LYS 11 -0.022 1.006 -7.405 82 HB3 LYS 11 1HB LYS 11 -0.356 -0.465 -8.315 83 HG2 LYS 11 2HG LYS 11 -2.362 -0.881 -7.110 84 HG3 LYS 11 1HG LYS 11 -1.945 0.293 -5.860 85 HD2 LYS 11 2HD LYS 11 -3.625 1.256 -7.357 86 HD3 LYS 11 1HD LYS 11 -2.096 2.110 -7.554 87 HE2 LYS 11 2HE LYS 11 -3.215 1.566 -9.729 88 HE3 LYS 11 1HE LYS 11 -1.603 0.872 -9.585 89 HZ1 LYS 11 3HZ LYS 11 -3.971 -0.676 -8.763 90 HZ2 LYS 11 1HZ LYS 11 -2.447 -1.236 -9.255 91 HZ3 LYS 11 2HZ LYS 11 -3.527 -0.596 -10.400 92 H LYS 12 H LYS 12 0.514 -2.836 -7.891 93 HA LYS 12 HA LYS 12 -1.537 -4.422 -6.522 94 HB2 LYS 12 2HB LYS 12 -0.479 -6.071 -8.402 95 HB3 LYS 12 1HB LYS 12 -1.733 -4.891 -8.760 96 HG2 LYS 12 2HG LYS 12 -0.043 -3.266 -9.441 97 HG3 LYS 12 1HG LYS 12 1.247 -4.380 -8.983 98 HD2 LYS 12 2HD LYS 12 0.521 -5.972 -10.693 99 HD3 LYS 12 1HD LYS 12 -0.844 -4.933 -11.108 100 HE2 LYS 12 2HE LYS 12 1.281 -4.774 -12.580 101 HE3 LYS 12 1HE LYS 12 0.545 -3.268 -12.031 102 HZ1 LYS 12 3HZ LYS 12 2.916 -3.222 -11.678 103 HZ2 LYS 12 1HZ LYS 12 2.849 -4.654 -10.771 104 HZ3 LYS 12 2HZ LYS 12 2.115 -3.241 -10.179 105 H ASP 13 H ASP 13 1.870 -4.067 -6.354 106 HA ASP 13 HA ASP 13 2.520 -6.795 -5.694 107 HB2 ASP 13 2HB ASP 13 3.913 -4.349 -6.053 108 HB3 ASP 13 1HB ASP 13 4.404 -5.009 -4.496 109 H CYS 14 H CYS 14 0.791 -4.494 -3.877 110 HA CYS 14 HA CYS 14 1.803 -5.488 -1.305 111 HB2 CYS 14 2HB CYS 14 -0.304 -3.497 -2.133 112 HB3 CYS 14 1HB CYS 14 -0.132 -4.035 -0.484 113 H CYS 15 H CYS 15 0.632 -6.927 -0.027 114 HA CYS 15 HA CYS 15 -0.916 -8.871 -1.315 115 HB2 CYS 15 2HB CYS 15 -0.093 -8.301 1.377 116 HB3 CYS 15 1HB CYS 15 -1.785 -8.786 1.387 117 H CYS 16 H CYS 16 -3.107 -9.277 -1.417 118 HA CYS 16 HA CYS 16 -4.777 -7.184 -2.140 119 HB2 CYS 16 2HB CYS 16 -6.128 -9.485 -0.849 120 HB3 CYS 16 1HB CYS 16 -6.315 -8.836 -2.473 121 H GLY 17 H GLY 17 -5.551 -5.563 -1.063 122 HA2 GLY 17 2HA GLY 17 -7.011 -4.709 0.728 123 HA3 GLY 17 1HA GLY 17 -6.330 -5.919 1.812 124 H TYR 18 H TYR 18 -3.788 -4.865 0.010 125 HA TYR 18 HA TYR 18 -3.239 -2.527 1.859 126 HB2 TYR 18 2HB TYR 18 -1.278 -4.715 1.097 127 HB3 TYR 18 1HB TYR 18 -0.954 -3.339 2.149 128 HD1 TYR 18 1HD TYR 18 -2.157 -3.147 4.359 129 HD2 TYR 18 2HD TYR 18 -2.408 -6.650 1.891 130 HE1 TYR 18 1HE TYR 18 -3.021 -4.454 6.284 131 HE2 TYR 18 2HE TYR 18 -3.268 -7.950 3.815 132 HH TYR 18 HH TYR 18 -3.188 -7.826 6.296 133 H ASN 19 H ASN 19 -2.051 -0.825 0.845 134 HA ASN 19 HA ASN 19 -1.608 -1.183 -2.103 135 HB2 ASN 19 2HB ASN 19 -1.988 1.326 -2.204 136 HB3 ASN 19 1HB ASN 19 -3.409 0.365 -1.795 137 HD21 ASN 19 1HD2 ASN 19 -2.047 3.193 -0.935 138 HD22 ASN 19 2HD2 ASN 19 -2.416 3.232 0.722 139 H CYS 20 H CYS 20 0.039 0.434 -2.977 140 HA CYS 20 HA CYS 20 2.464 0.294 -1.300 141 HB2 CYS 20 2HB CYS 20 2.321 -0.309 -3.794 142 HB3 CYS 20 1HB CYS 20 2.205 1.412 -4.098 143 H VAL 21 H VAL 21 3.232 2.040 -0.194 144 HA VAL 21 HA VAL 21 2.264 4.759 -0.991 145 HB VAL 21 HB VAL 21 2.798 3.938 1.867 146 HG11 VAL 21 1HG1 VAL 21 1.295 6.201 0.517 147 HG12 VAL 21 2HG1 VAL 21 2.742 6.323 1.520 148 HG13 VAL 21 3HG1 VAL 21 1.201 5.869 2.246 149 HG21 VAL 21 3HG2 VAL 21 0.217 3.831 1.946 150 HG22 VAL 21 1HG2 VAL 21 1.061 2.452 1.247 151 HG23 VAL 21 2HG2 VAL 21 0.300 3.646 0.196 152 H TYR 22 H TYR 22 3.863 6.241 -1.303 153 HA TYR 22 HA TYR 22 6.647 5.327 -1.011 154 HB2 TYR 22 2HB TYR 22 5.685 7.015 -2.710 155 HB3 TYR 22 1HB TYR 22 5.758 8.191 -1.400 156 HD1 TYR 22 1HD TYR 22 7.722 6.057 -3.668 157 HD2 TYR 22 2HD TYR 22 7.909 8.952 -0.497 158 HE1 TYR 22 1HE TYR 22 10.137 6.390 -4.113 159 HE2 TYR 22 2HE TYR 22 10.328 9.281 -0.943 160 HH TYR 22 HH TYR 22 12.223 7.719 -2.056 161 H ALA 23 H ALA 23 7.716 5.293 0.898 162 HA ALA 23 HA ALA 23 6.759 6.980 3.129 163 HB1 ALA 23 1HB ALA 23 7.853 4.412 2.981 164 HB2 ALA 23 2HB ALA 23 7.603 5.346 4.453 165 HB3 ALA 23 3HB ALA 23 9.167 5.388 3.639 166 H TRP 24 H TRP 24 7.422 9.052 2.569 167 HA TRP 24 HA TRP 24 9.818 9.824 1.347 168 HB2 TRP 24 2HB TRP 24 9.416 12.036 2.235 169 HB3 TRP 24 1HB TRP 24 7.863 11.313 1.822 170 HD1 TRP 24 HD TRP 24 7.117 9.630 4.238 171 HE1 TRP 24 1HE TRP 24 6.734 10.658 6.565 172 HE3 TRP 24 3HE TRP 24 9.697 14.005 3.705 173 HZ2 TRP 24 2HZ TRP 24 7.426 13.020 8.014 174 HZ3 TRP 24 3HZ TRP 24 9.813 15.628 5.575 175 HH2 TRP 24 HH TRP 24 8.681 15.140 7.726 176 H TYR 25 H TYR 25 9.180 9.244 4.839 177 HA TYR 25 HA TYR 25 11.926 10.074 5.534 178 HB2 TYR 25 2HB TYR 25 11.328 9.661 7.731 179 HB3 TYR 25 1HB TYR 25 9.732 9.875 7.023 180 HD1 TYR 25 1HD TYR 25 9.020 7.442 5.735 181 HD2 TYR 25 2HD TYR 25 11.361 7.958 9.303 182 HE1 TYR 25 1HE TYR 25 8.376 5.166 6.498 183 HE2 TYR 25 2HE TYR 25 10.717 5.686 10.054 184 HH TYR 25 HH TYR 25 8.550 3.643 8.086 185 H ASN 26 H ASN 26 13.752 8.809 5.664 186 HA ASN 26 HA ASN 26 15.139 6.996 5.167 187 HB2 ASN 26 2HB ASN 26 14.721 5.208 6.501 188 HB3 ASN 26 1HB ASN 26 13.327 6.135 7.048 189 HD21 ASN 26 1HD2 ASN 26 11.220 5.539 6.226 190 HD22 ASN 26 2HD2 ASN 26 10.969 4.091 5.385 191 H GLN 27 H GLN 27 12.813 7.951 3.279 192 HA GLN 27 HA GLN 27 12.005 7.385 1.156 193 HB2 GLN 27 2HB GLN 27 14.844 6.548 1.333 194 HB3 GLN 27 1HB GLN 27 13.957 5.822 0.020 195 HG2 GLN 27 2HG GLN 27 14.835 7.843 -0.881 196 HG3 GLN 27 1HG GLN 27 13.142 8.202 -0.546 197 HE21 GLN 27 1HE2 GLN 27 12.676 9.784 1.070 198 HE22 GLN 27 2HE2 GLN 27 13.881 10.624 1.920 199 H GLN 28 H GLN 28 12.534 4.910 -0.316 200 HA GLN 28 HA GLN 28 11.640 2.773 -0.554 201 HB2 GLN 28 2HB GLN 28 13.011 2.018 1.233 202 HB3 GLN 28 1HB GLN 28 12.037 2.831 2.446 203 HG2 GLN 28 2HG GLN 28 11.476 0.512 2.563 204 HG3 GLN 28 1HG GLN 28 10.125 1.285 1.734 205 HE21 GLN 28 1HE2 GLN 28 10.491 1.352 -0.813 206 HE22 GLN 28 2HE2 GLN 28 11.101 -0.076 -1.495 207 H SER 29 H SER 29 9.608 1.872 -0.697 208 HA SER 29 HA SER 29 7.385 3.523 0.389 209 HB2 SER 29 2HB SER 29 7.437 1.398 -1.768 210 HB3 SER 29 1HB SER 29 6.022 2.309 -1.266 211 HG SER 29 HG SER 29 8.325 3.723 -1.945 212 H SER 30 H SER 30 5.542 2.377 1.377 213 HA SER 30 HA SER 30 6.128 -0.360 2.247 214 HB2 SER 30 2HB SER 30 6.832 1.162 4.063 215 HB3 SER 30 1HB SER 30 5.207 1.843 4.091 216 HG SER 30 HG SER 30 5.263 0.261 5.633 217 H CYS 31 H CYS 31 4.385 -1.694 2.371 218 HA CYS 31 HA CYS 31 1.956 -0.888 1.081 219 HB2 CYS 31 2HB CYS 31 2.656 -3.325 2.727 220 HB3 CYS 31 1HB CYS 31 1.106 -3.123 1.938 221 H GLU 32 H GLU 32 -0.128 -0.524 2.024 222 HA GLU 32 HA GLU 32 -0.283 -0.412 4.974 223 HB2 GLU 32 2HB GLU 32 -0.706 1.839 5.192 224 HB3 GLU 32 1HB GLU 32 0.417 1.885 3.836 225 HG2 GLU 32 2HG GLU 32 -1.372 2.094 2.253 226 HG3 GLU 32 1HG GLU 32 -2.572 1.716 3.488 227 H ARG 33 H ARG 33 -2.315 -0.874 5.734 228 HA ARG 33 HA ARG 33 -4.132 -2.137 3.942 229 HB2 ARG 33 2HB ARG 33 -3.846 -2.392 6.535 230 HB3 ARG 33 1HB ARG 33 -5.028 -1.090 6.613 231 HG2 ARG 33 2HG ARG 33 -5.948 -2.985 4.663 232 HG3 ARG 33 1HG ARG 33 -5.495 -3.881 6.108 233 HD2 ARG 33 2HD ARG 33 -7.156 -1.392 6.359 234 HD3 ARG 33 1HD ARG 33 -7.909 -2.911 5.888 235 HE ARG 33 HE ARG 33 -6.840 -3.853 8.041 236 HH11 ARG 33 1HH2 ARG 33 -7.681 -0.522 7.603 237 HH12 ARG 33 2HH2 ARG 33 -7.868 -0.219 9.295 238 HH21 ARG 33 2HH1 ARG 33 -7.086 -3.459 10.244 239 HH22 ARG 33 1HH1 ARG 33 -7.533 -1.875 10.789 240 H LYS 34 H LYS 34 -6.289 -1.504 3.398 241 HA LYS 34 HA LYS 34 -7.173 1.200 3.840 242 HB2 LYS 34 2HB LYS 34 -7.339 1.773 1.447 243 HB3 LYS 34 1HB LYS 34 -5.666 1.629 1.980 244 HG2 LYS 34 2HG LYS 34 -5.267 -0.188 0.667 245 HG3 LYS 34 1HG LYS 34 -6.811 -0.927 1.064 246 HD2 LYS 34 2HD LYS 34 -7.470 1.317 -0.535 247 HD3 LYS 34 1HD LYS 34 -6.057 0.610 -1.306 248 HE2 LYS 34 2HE LYS 34 -7.595 -0.747 -2.308 249 HE3 LYS 34 1HE LYS 34 -7.539 -1.642 -0.791 250 HZ1 LYS 34 3HZ LYS 34 -9.748 -0.496 -1.878 251 HZ2 LYS 34 1HZ LYS 34 -9.288 0.634 -0.701 252 HZ3 LYS 34 2HZ LYS 34 -9.586 -0.978 -0.257 253 H TRP 35 H TRP 35 -8.693 -0.460 4.747 254 HA TRP 35 HA TRP 35 -10.564 -1.443 2.648 255 HB2 TRP 35 2HB TRP 35 -11.245 -3.182 4.150 256 HB3 TRP 35 1HB TRP 35 -9.487 -3.166 4.133 257 HD1 TRP 35 HD TRP 35 -9.448 -0.483 6.185 258 HE1 TRP 35 1HE TRP 35 -9.765 -1.007 8.685 259 HE3 TRP 35 3HE TRP 35 -11.585 -5.120 5.864 260 HZ2 TRP 35 2HZ TRP 35 -10.795 -3.106 10.338 261 HZ3 TRP 35 3HZ TRP 35 -12.219 -6.356 7.915 262 HH2 TRP 35 HH TRP 35 -11.826 -5.357 10.149 263 H LYS 36 H LYS 36 -12.541 -0.631 2.574 264 HA LYS 36 HA LYS 36 -13.309 1.642 4.079 265 HB2 LYS 36 2HB LYS 36 -14.709 -0.280 2.254 266 HB3 LYS 36 1HB LYS 36 -15.686 0.863 3.176 267 HG2 LYS 36 2HG LYS 36 -14.965 2.660 1.962 268 HG3 LYS 36 1HG LYS 36 -13.323 2.042 1.815 269 HD2 LYS 36 2HD LYS 36 -15.576 0.695 0.330 270 HD3 LYS 36 1HD LYS 36 -14.852 2.167 -0.317 271 HE2 LYS 36 2HE LYS 36 -13.230 0.870 -1.212 272 HE3 LYS 36 1HE LYS 36 -12.660 0.547 0.423 273 HZ1 LYS 36 3HZ LYS 36 -14.890 -0.986 -0.755 274 HZ2 LYS 36 1HZ LYS 36 -13.890 -1.402 0.550 275 HZ3 LYS 36 2HZ LYS 36 -13.273 -1.427 -1.033 276 H TYR 37 H TYR 37 -13.866 -1.761 4.403 277 HA TYR 37 HA TYR 37 -13.994 -2.061 7.129 278 HB2 TYR 37 2HB TYR 37 -15.636 -0.340 7.485 279 HB3 TYR 37 1HB TYR 37 -16.668 -0.968 6.200 280 HD1 TYR 37 2HD TYR 37 -15.016 -2.134 9.369 281 HD2 TYR 37 1HD TYR 37 -18.472 -2.299 6.824 282 HE1 TYR 37 2HE TYR 37 -16.157 -3.599 11.014 283 HE2 TYR 37 1HE TYR 37 -19.613 -3.764 8.467 284 HH TYR 37 HH TYR 37 -19.504 -4.294 10.839 285 H LEU 38 H LEU 38 -13.862 -3.389 4.457 286 HA LEU 38 HA LEU 38 -14.734 -5.947 5.201 287 HB2 LEU 38 2HB LEU 38 -16.717 -6.338 3.987 288 HB3 LEU 38 1HB LEU 38 -16.985 -4.791 4.753 289 HG LEU 38 HG LEU 38 -17.749 -4.405 2.592 290 HD11 LEU 38 1HD1 LEU 38 -16.479 -2.528 2.660 291 HD12 LEU 38 2HD1 LEU 38 -15.630 -3.312 1.332 292 HD13 LEU 38 3HD1 LEU 38 -14.982 -3.396 2.959 293 HD21 LEU 38 3HD2 LEU 38 -17.246 -5.660 0.792 294 HD22 LEU 38 1HD2 LEU 38 -16.344 -6.673 1.910 295 HD23 LEU 38 2HD2 LEU 38 -15.514 -5.423 0.991 296 H PHE 39 H PHE 39 -14.969 -7.317 2.934 297 HA PHE 39 HA PHE 39 -12.551 -7.799 1.870 298 HB2 PHE 39 2HB PHE 39 -15.001 -7.518 0.109 299 HB3 PHE 39 1HB PHE 39 -13.590 -8.525 -0.211 300 HD1 PHE 39 1HD PHE 39 -12.950 -10.103 1.919 301 HD2 PHE 39 2HD PHE 39 -16.867 -8.617 0.965 302 HE1 PHE 39 1HE PHE 39 -13.972 -11.950 3.219 303 HE2 PHE 39 2HE PHE 39 -17.886 -10.460 2.269 304 HZ PHE 39 HZ PHE 39 -16.439 -12.129 3.395 305 H THR 40 H THR 40 -10.958 -6.582 1.030 306 HA THR 40 HA THR 40 -11.511 -3.932 -0.101 307 HB THR 40 HB THR 40 -8.880 -4.254 -0.570 308 HG1 THR 40 1HG THR 40 -9.144 -5.793 1.730 309 HG21 THR 40 3HG2 THR 40 -9.636 -2.530 0.873 310 HG22 THR 40 1HG2 THR 40 -8.555 -3.506 1.864 311 HG23 THR 40 2HG2 THR 40 -10.300 -3.684 2.030 312 H GLY 41 H GLY 41 -12.622 -6.214 -1.535 313 HA2 GLY 41 2HA GLY 41 -12.914 -6.740 -3.820 314 HA3 GLY 41 1HA GLY 41 -11.677 -5.540 -4.203 315 H GLU 42 H GLU 42 -10.206 -6.663 -5.446 316 HA GLU 42 HA GLU 42 -8.929 -9.036 -4.165 317 HB2 GLU 42 2HB GLU 42 -10.618 -9.727 -5.924 318 HB3 GLU 42 1HB GLU 42 -9.609 -8.903 -7.110 319 HG2 GLU 42 2HG GLU 42 -8.974 -11.228 -7.122 320 HG3 GLU 42 1HG GLU 42 -7.677 -10.338 -6.327 321 H CYS 43 H CYS 43 -6.741 -9.370 -4.845 322 HA CYS 43 HA CYS 43 -5.425 -6.863 -5.729 323 HB2 CYS 43 2HB CYS 43 -3.358 -8.097 -4.957 324 HB3 CYS 43 1HB CYS 43 -4.562 -7.853 -3.719 325 HXT CYS 43 2HT CYS 43 -4.914 -10.145 -6.230 Start of MODEL 18 1 H1 CYS 1 1H CYS 1 4.964 -10.538 -1.056 2 H2 CYS 1 2H CYS 1 3.404 -11.014 -0.646 3 H3 CYS 1 3H CYS 1 3.850 -10.901 -2.263 4 HA CYS 1 HA CYS 1 4.126 -8.510 -2.059 5 HB2 CYS 1 2HB CYS 1 1.646 -8.061 -1.420 6 HB3 CYS 1 1HB CYS 1 1.959 -9.069 -2.824 7 H GLY 2 H GLY 2 3.900 -6.603 -0.670 8 HA2 GLY 2 2HA GLY 2 4.756 -7.093 2.065 9 HA3 GLY 2 1HA GLY 2 4.406 -5.515 1.359 10 H SER 3 H SER 3 3.574 -6.606 3.993 11 HA SER 3 HA SER 3 0.605 -6.705 3.651 12 HB2 SER 3 2HB SER 3 2.321 -7.401 6.055 13 HB3 SER 3 1HB SER 3 0.571 -7.567 5.963 14 HG SER 3 HG SER 3 2.509 -8.875 4.346 15 H LYS 4 H LYS 4 -0.266 -5.753 6.061 16 HA LYS 4 HA LYS 4 -0.508 -3.035 5.881 17 HB2 LYS 4 2HB LYS 4 -1.613 -4.249 7.687 18 HB3 LYS 4 1HB LYS 4 -0.061 -4.610 8.435 19 HG2 LYS 4 2HG LYS 4 0.067 -1.862 8.261 20 HG3 LYS 4 1HG LYS 4 -1.656 -2.110 8.516 21 HD2 LYS 4 2HD LYS 4 0.311 -3.581 10.257 22 HD3 LYS 4 1HD LYS 4 -0.039 -1.888 10.584 23 HE2 LYS 4 2HE LYS 4 -2.152 -2.330 11.322 24 HE3 LYS 4 1HE LYS 4 -2.420 -3.590 10.117 25 HZ1 LYS 4 3HZ LYS 4 -0.694 -4.880 11.501 26 HZ2 LYS 4 1HZ LYS 4 -2.288 -4.777 12.070 27 HZ3 LYS 4 2HZ LYS 4 -1.084 -3.780 12.736 28 H ARG 5 H ARG 5 0.969 -1.396 5.724 29 HA ARG 5 HA ARG 5 3.037 -0.282 5.917 30 HB2 ARG 5 2HB ARG 5 1.962 -0.267 8.256 31 HB3 ARG 5 1HB ARG 5 3.084 -1.564 8.653 32 HG2 ARG 5 2HG ARG 5 4.990 -0.135 8.137 33 HG3 ARG 5 1HG ARG 5 3.909 1.153 7.595 34 HD2 ARG 5 2HD ARG 5 4.658 1.562 9.914 35 HD3 ARG 5 1HD ARG 5 2.917 1.282 9.849 36 HE ARG 5 HE ARG 5 4.667 -1.043 10.444 37 HH11 ARG 5 1HH2 ARG 5 2.391 1.363 11.445 38 HH12 ARG 5 2HH2 ARG 5 1.957 0.527 12.897 39 HH21 ARG 5 2HH1 ARG 5 4.104 -2.133 12.333 40 HH22 ARG 5 1HH1 ARG 5 2.925 -1.446 13.398 41 H ALA 6 H ALA 6 4.067 -1.649 4.374 42 HA ALA 6 HA ALA 6 6.402 -3.040 5.362 43 HB1 ALA 6 1HB ALA 6 4.468 -4.695 5.777 44 HB2 ALA 6 2HB ALA 6 5.848 -5.303 4.865 45 HB3 ALA 6 3HB ALA 6 4.371 -4.840 4.022 46 H TRP 7 H TRP 7 7.859 -2.708 3.858 47 HA TRP 7 HA TRP 7 7.939 -1.402 1.568 48 HB2 TRP 7 2HB TRP 7 9.933 -2.431 2.246 49 HB3 TRP 7 1HB TRP 7 9.230 -4.045 2.184 50 HD1 TRP 7 HD TRP 7 10.316 -1.199 -0.175 51 HE1 TRP 7 1HE TRP 7 10.923 -2.241 -2.452 52 HE3 TRP 7 3HE TRP 7 9.018 -6.044 0.718 53 HZ2 TRP 7 2HZ TRP 7 10.856 -4.809 -3.735 54 HZ3 TRP 7 3HZ TRP 7 9.300 -7.769 -1.032 55 HH2 TRP 7 HH TRP 7 10.215 -7.158 -3.254 56 H CYS 8 H CYS 8 7.366 -1.519 -0.601 57 HA CYS 8 HA CYS 8 5.823 -3.946 -1.492 58 HB2 CYS 8 2HB CYS 8 4.570 -2.079 -2.926 59 HB3 CYS 8 1HB CYS 8 4.041 -2.517 -1.318 60 H LYS 9 H LYS 9 5.817 -4.262 -3.808 61 HA LYS 9 HA LYS 9 8.286 -3.335 -5.133 62 HB2 LYS 9 2HB LYS 9 6.264 -5.492 -5.511 63 HB3 LYS 9 1HB LYS 9 7.001 -4.863 -6.965 64 HG2 LYS 9 2HG LYS 9 9.235 -5.398 -6.097 65 HG3 LYS 9 1HG LYS 9 8.515 -5.958 -4.582 66 HD2 LYS 9 2HD LYS 9 7.223 -7.664 -5.847 67 HD3 LYS 9 1HD LYS 9 8.019 -7.142 -7.332 68 HE2 LYS 9 2HE LYS 9 9.291 -8.437 -4.909 69 HE3 LYS 9 1HE LYS 9 9.221 -9.062 -6.556 70 HZ1 LYS 9 3HZ LYS 9 11.281 -8.169 -6.606 71 HZ2 LYS 9 1HZ LYS 9 10.941 -6.998 -5.427 72 HZ3 LYS 9 2HZ LYS 9 10.412 -6.770 -7.025 73 H GLU 10 H GLU 10 4.770 -3.227 -5.426 74 HA GLU 10 HA GLU 10 4.790 -0.669 -6.843 75 HB2 GLU 10 2HB GLU 10 4.029 -3.229 -8.229 76 HB3 GLU 10 1HB GLU 10 3.215 -1.732 -8.654 77 HG2 GLU 10 2HG GLU 10 6.221 -2.129 -8.717 78 HG3 GLU 10 1HG GLU 10 5.165 -2.202 -10.123 79 H LYS 11 H LYS 11 2.238 -0.443 -7.633 80 HA LYS 11 HA LYS 11 0.740 -0.343 -5.171 81 HB2 LYS 11 2HB LYS 11 0.421 1.186 -7.170 82 HB3 LYS 11 1HB LYS 11 -0.373 -0.161 -7.987 83 HG2 LYS 11 2HG LYS 11 -2.049 -0.289 -6.195 84 HG3 LYS 11 1HG LYS 11 -1.240 1.016 -5.335 85 HD2 LYS 11 2HD LYS 11 -1.594 2.436 -7.433 86 HD3 LYS 11 1HD LYS 11 -2.680 1.162 -7.986 87 HE2 LYS 11 2HE LYS 11 -3.021 2.411 -5.258 88 HE3 LYS 11 1HE LYS 11 -3.715 3.159 -6.694 89 HZ1 LYS 11 3HZ LYS 11 -5.194 1.486 -6.974 90 HZ2 LYS 11 1HZ LYS 11 -5.021 1.379 -5.289 91 HZ3 LYS 11 2HZ LYS 11 -4.179 0.302 -6.298 92 H LYS 12 H LYS 12 0.509 -2.411 -8.055 93 HA LYS 12 HA LYS 12 -1.655 -4.021 -6.947 94 HB2 LYS 12 2HB LYS 12 -1.874 -4.349 -9.177 95 HB3 LYS 12 1HB LYS 12 -0.267 -3.701 -9.481 96 HG2 LYS 12 2HG LYS 12 0.703 -5.933 -8.886 97 HG3 LYS 12 1HG LYS 12 -0.935 -6.558 -8.694 98 HD2 LYS 12 2HD LYS 12 -0.429 -7.167 -10.896 99 HD3 LYS 12 1HD LYS 12 -1.283 -5.641 -11.126 100 HE2 LYS 12 2HE LYS 12 1.016 -4.509 -11.049 101 HE3 LYS 12 1HE LYS 12 1.702 -6.125 -11.190 102 HZ1 LYS 12 3HZ LYS 12 -0.387 -5.319 -13.081 103 HZ2 LYS 12 1HZ LYS 12 0.919 -6.380 -13.301 104 HZ3 LYS 12 2HZ LYS 12 1.181 -4.701 -13.297 105 H ASP 13 H ASP 13 1.729 -3.993 -6.552 106 HA ASP 13 HA ASP 13 2.001 -6.863 -6.122 107 HB2 ASP 13 2HB ASP 13 3.755 -4.460 -6.060 108 HB3 ASP 13 1HB ASP 13 4.292 -5.908 -5.238 109 H CYS 14 H CYS 14 0.566 -4.542 -4.211 110 HA CYS 14 HA CYS 14 1.816 -5.362 -1.686 111 HB2 CYS 14 2HB CYS 14 -0.339 -3.455 -2.520 112 HB3 CYS 14 1HB CYS 14 -0.306 -4.017 -0.864 113 H CYS 15 H CYS 15 0.836 -6.779 -0.195 114 HA CYS 15 HA CYS 15 -0.716 -8.902 -1.148 115 HB2 CYS 15 2HB CYS 15 -0.170 -7.743 1.567 116 HB3 CYS 15 1HB CYS 15 -1.302 -9.056 1.401 117 H CYS 16 H CYS 16 -2.905 -9.221 -1.318 118 HA CYS 16 HA CYS 16 -4.775 -7.304 -1.822 119 HB2 CYS 16 2HB CYS 16 -5.213 -9.772 -1.813 120 HB3 CYS 16 1HB CYS 16 -5.343 -9.708 -0.057 121 H GLY 17 H GLY 17 -6.224 -5.946 -0.562 122 HA2 GLY 17 2HA GLY 17 -6.935 -4.760 1.341 123 HA3 GLY 17 1HA GLY 17 -6.128 -5.968 2.338 124 H TYR 18 H TYR 18 -3.831 -4.882 0.124 125 HA TYR 18 HA TYR 18 -3.121 -2.568 1.943 126 HB2 TYR 18 2HB TYR 18 -1.256 -4.836 1.202 127 HB3 TYR 18 1HB TYR 18 -0.795 -3.377 2.077 128 HD1 TYR 18 1HD TYR 18 -2.435 -2.783 4.123 129 HD2 TYR 18 2HD TYR 18 -1.803 -6.708 2.503 130 HE1 TYR 18 1HE TYR 18 -3.199 -3.790 6.257 131 HE2 TYR 18 2HE TYR 18 -2.548 -7.714 4.645 132 HH TYR 18 HH TYR 18 -2.562 -6.518 7.328 133 H ASN 19 H ASN 19 -1.596 -1.054 1.025 134 HA ASN 19 HA ASN 19 -1.396 -1.168 -1.966 135 HB2 ASN 19 2HB ASN 19 -3.210 0.328 -1.360 136 HB3 ASN 19 1HB ASN 19 -2.181 1.161 -0.197 137 HD21 ASN 19 1HD2 ASN 19 -1.401 3.094 -1.012 138 HD22 ASN 19 2HD2 ASN 19 -1.021 3.385 -2.641 139 H CYS 20 H CYS 20 0.279 0.517 -2.771 140 HA CYS 20 HA CYS 20 2.688 0.281 -1.070 141 HB2 CYS 20 2HB CYS 20 2.548 -0.170 -3.632 142 HB3 CYS 20 1HB CYS 20 2.581 1.582 -3.794 143 H VAL 21 H VAL 21 2.885 1.856 0.443 144 HA VAL 21 HA VAL 21 2.095 4.647 -0.253 145 HB VAL 21 HB VAL 21 2.138 3.037 2.237 146 HG11 VAL 21 1HG1 VAL 21 2.402 5.121 3.650 147 HG12 VAL 21 2HG1 VAL 21 3.034 5.931 2.218 148 HG13 VAL 21 3HG1 VAL 21 3.891 4.548 2.901 149 HG21 VAL 21 3HG2 VAL 21 -0.016 3.667 1.669 150 HG22 VAL 21 1HG2 VAL 21 0.498 5.204 0.977 151 HG23 VAL 21 2HG2 VAL 21 0.414 5.012 2.722 152 H TYR 22 H TYR 22 3.609 6.259 -0.444 153 HA TYR 22 HA TYR 22 6.417 5.460 -0.516 154 HB2 TYR 22 2HB TYR 22 5.483 7.379 -1.835 155 HB3 TYR 22 1HB TYR 22 5.312 8.276 -0.322 156 HD1 TYR 22 1HD TYR 22 7.726 6.769 -2.682 157 HD2 TYR 22 2HD TYR 22 7.241 9.119 0.872 158 HE1 TYR 22 1HE TYR 22 10.130 7.371 -2.754 159 HE2 TYR 22 2HE TYR 22 9.648 9.715 0.813 160 HH TYR 22 HH TYR 22 11.775 8.665 -0.174 161 H ALA 23 H ALA 23 8.036 5.756 1.006 162 HA ALA 23 HA ALA 23 7.149 6.098 3.792 163 HB1 ALA 23 1HB ALA 23 9.030 4.514 2.615 164 HB2 ALA 23 2HB ALA 23 9.005 4.911 4.327 165 HB3 ALA 23 3HB ALA 23 10.029 5.831 3.228 166 H TRP 24 H TRP 24 9.758 7.137 4.592 167 HA TRP 24 HA TRP 24 10.176 9.737 3.433 168 HB2 TRP 24 2HB TRP 24 9.216 10.888 5.648 169 HB3 TRP 24 1HB TRP 24 8.185 10.593 4.250 170 HD1 TRP 24 HD TRP 24 9.115 9.004 7.630 171 HE1 TRP 24 1HE TRP 24 7.147 7.547 8.421 172 HE3 TRP 24 3HE TRP 24 6.029 9.417 3.581 173 HZ2 TRP 24 2HZ TRP 24 4.601 6.671 7.468 174 HZ3 TRP 24 3HZ TRP 24 3.840 8.261 3.551 175 HH2 TRP 24 HH TRP 24 3.119 6.892 5.489 176 H TYR 25 H TYR 25 10.181 8.035 6.646 177 HA TYR 25 HA TYR 25 12.782 9.412 7.224 178 HB2 TYR 25 2HB TYR 25 12.579 8.626 9.407 179 HB3 TYR 25 1HB TYR 25 10.893 8.790 8.937 180 HD1 TYR 25 2HD TYR 25 9.838 6.631 7.782 181 HD2 TYR 25 1HD TYR 25 13.298 6.612 10.328 182 HE1 TYR 25 2HE TYR 25 9.485 4.221 8.252 183 HE2 TYR 25 1HE TYR 25 12.943 4.204 10.797 184 HH TYR 25 HH TYR 25 11.850 2.285 9.828 185 H ASN 26 H ASN 26 11.576 6.248 6.266 186 HA ASN 26 HA ASN 26 14.402 5.286 6.081 187 HB2 ASN 26 2HB ASN 26 13.506 3.020 6.120 188 HB3 ASN 26 1HB ASN 26 12.880 3.914 7.503 189 HD21 ASN 26 1HD2 ASN 26 10.800 5.394 6.322 190 HD22 ASN 26 2HD2 ASN 26 9.632 4.327 5.707 191 H GLN 27 H GLN 27 12.360 6.860 4.185 192 HA GLN 27 HA GLN 27 12.009 6.981 1.873 193 HB2 GLN 27 2HB GLN 27 14.586 5.383 1.956 194 HB3 GLN 27 1HB GLN 27 13.909 6.095 0.491 195 HG2 GLN 27 2HG GLN 27 14.618 7.660 2.992 196 HG3 GLN 27 1HG GLN 27 15.639 7.548 1.555 197 HE21 GLN 27 1HE2 GLN 27 13.533 9.633 2.968 198 HE22 GLN 27 2HE2 GLN 27 12.856 10.359 1.591 199 H GLN 28 H GLN 28 12.409 5.234 -0.196 200 HA GLN 28 HA GLN 28 11.475 3.356 -1.244 201 HB2 GLN 28 2HB GLN 28 12.770 2.368 0.936 202 HB3 GLN 28 1HB GLN 28 11.124 1.870 1.308 203 HG2 GLN 28 2HG GLN 28 12.221 0.103 0.033 204 HG3 GLN 28 1HG GLN 28 10.965 0.832 -0.962 205 HE21 GLN 28 1HE2 GLN 28 11.866 0.611 -3.046 206 HE22 GLN 28 2HE2 GLN 28 13.367 1.262 -3.500 207 H SER 29 H SER 29 9.466 1.638 -0.514 208 HA SER 29 HA SER 29 7.250 3.396 0.459 209 HB2 SER 29 2HB SER 29 7.268 1.592 -1.970 210 HB3 SER 29 1HB SER 29 5.807 2.258 -1.257 211 HG SER 29 HG SER 29 7.154 4.338 -1.490 212 H SER 30 H SER 30 5.620 2.278 1.603 213 HA SER 30 HA SER 30 6.069 -0.587 2.085 214 HB2 SER 30 2HB SER 30 5.623 -0.274 4.443 215 HB3 SER 30 1HB SER 30 6.886 0.855 3.975 216 HG SER 30 HG SER 30 4.552 2.011 3.509 217 H CYS 31 H CYS 31 4.168 -1.850 2.244 218 HA CYS 31 HA CYS 31 1.832 -0.742 0.997 219 HB2 CYS 31 2HB CYS 31 2.129 -3.316 2.562 220 HB3 CYS 31 1HB CYS 31 0.732 -2.884 1.597 221 H GLU 32 H GLU 32 -0.221 -0.231 1.924 222 HA GLU 32 HA GLU 32 -0.431 -0.230 4.882 223 HB2 GLU 32 2HB GLU 32 -0.289 2.017 5.166 224 HB3 GLU 32 1HB GLU 32 0.396 2.078 3.542 225 HG2 GLU 32 2HG GLU 32 -1.836 2.370 2.581 226 HG3 GLU 32 1HG GLU 32 -2.562 2.238 4.183 227 H ARG 33 H ARG 33 -2.641 -0.063 5.611 228 HA ARG 33 HA ARG 33 -4.578 -1.256 3.881 229 HB2 ARG 33 2HB ARG 33 -4.425 -1.034 6.538 230 HB3 ARG 33 1HB ARG 33 -5.448 0.371 6.248 231 HG2 ARG 33 2HG ARG 33 -6.865 -1.566 6.663 232 HG3 ARG 33 1HG ARG 33 -7.024 -1.097 4.973 233 HD2 ARG 33 2HD ARG 33 -6.628 -3.320 4.585 234 HD3 ARG 33 1HD ARG 33 -4.947 -2.862 4.806 235 HE ARG 33 HE ARG 33 -4.926 -4.125 6.766 236 HH11 ARG 33 1HH2 ARG 33 -8.132 -3.117 5.985 237 HH12 ARG 33 2HH2 ARG 33 -8.867 -4.033 7.257 238 HH21 ARG 33 2HH1 ARG 33 -5.864 -5.323 8.417 239 HH22 ARG 33 1HH1 ARG 33 -7.581 -5.286 8.635 240 H LYS 34 H LYS 34 -6.083 -0.350 2.517 241 HA LYS 34 HA LYS 34 -5.766 2.463 1.905 242 HB2 LYS 34 2HB LYS 34 -7.578 0.418 0.626 243 HB3 LYS 34 1HB LYS 34 -7.170 1.999 -0.034 244 HG2 LYS 34 2HG LYS 34 -4.733 1.255 0.064 245 HG3 LYS 34 1HG LYS 34 -5.347 -0.369 0.388 246 HD2 LYS 34 2HD LYS 34 -5.222 -0.461 -1.936 247 HD3 LYS 34 1HD LYS 34 -6.863 0.150 -1.747 248 HE2 LYS 34 2HE LYS 34 -4.484 2.001 -2.036 249 HE3 LYS 34 1HE LYS 34 -5.376 1.384 -3.425 250 HZ1 LYS 34 3HZ LYS 34 -7.373 2.246 -1.891 251 HZ2 LYS 34 1HZ LYS 34 -6.619 3.207 -3.067 252 HZ3 LYS 34 2HZ LYS 34 -6.162 3.345 -1.437 253 H TRP 35 H TRP 35 -7.691 0.933 4.135 254 HA TRP 35 HA TRP 35 -9.756 1.530 5.138 255 HB2 TRP 35 2HB TRP 35 -9.433 4.236 3.807 256 HB3 TRP 35 1HB TRP 35 -10.266 3.861 5.305 257 HD1 TRP 35 HD TRP 35 -6.613 3.487 4.018 258 HE1 TRP 35 1HE TRP 35 -5.034 4.270 5.892 259 HE3 TRP 35 3HE TRP 35 -10.035 4.696 7.622 260 HZ2 TRP 35 2HZ TRP 35 -5.186 5.286 8.547 261 HZ3 TRP 35 3HZ TRP 35 -9.282 5.579 9.809 262 HH2 TRP 35 HH TRP 35 -6.864 5.876 10.279 263 H LYS 36 H LYS 36 -11.863 3.071 4.168 264 HA LYS 36 HA LYS 36 -12.251 2.749 1.343 265 HB2 LYS 36 2HB LYS 36 -13.693 0.815 3.157 266 HB3 LYS 36 1HB LYS 36 -14.236 1.186 1.528 267 HG2 LYS 36 2HG LYS 36 -11.550 -0.041 2.252 268 HG3 LYS 36 1HG LYS 36 -12.918 -0.892 1.561 269 HD2 LYS 36 2HD LYS 36 -12.802 0.392 -0.482 270 HD3 LYS 36 1HD LYS 36 -11.563 1.444 0.189 271 HE2 LYS 36 2HE LYS 36 -10.235 -0.806 0.532 272 HE3 LYS 36 1HE LYS 36 -11.324 -1.398 -0.723 273 HZ1 LYS 36 3HZ LYS 36 -10.530 1.017 -1.668 274 HZ2 LYS 36 1HZ LYS 36 -9.894 -0.482 -2.143 275 HZ3 LYS 36 2HZ LYS 36 -9.117 0.424 -0.932 276 H TYR 37 H TYR 37 -13.752 3.074 4.505 277 HA TYR 37 HA TYR 37 -14.807 5.650 3.957 278 HB2 TYR 37 2HB TYR 37 -16.144 4.539 2.182 279 HB3 TYR 37 1HB TYR 37 -16.846 3.482 3.399 280 HD1 TYR 37 1HD TYR 37 -16.224 7.146 2.899 281 HD2 TYR 37 2HD TYR 37 -18.946 4.093 4.200 282 HE1 TYR 37 1HE TYR 37 -17.935 8.877 3.375 283 HE2 TYR 37 2HE TYR 37 -20.655 5.820 4.683 284 HH TYR 37 HH TYR 37 -20.050 9.272 4.057 285 H LEU 38 H LEU 38 -14.935 2.679 5.669 286 HA LEU 38 HA LEU 38 -15.411 4.051 8.139 287 HB2 LEU 38 2HB LEU 38 -17.506 2.386 8.512 288 HB3 LEU 38 1HB LEU 38 -17.688 4.015 7.889 289 HG LEU 38 HG LEU 38 -17.510 3.061 5.564 290 HD11 LEU 38 1HD1 LEU 38 -18.272 0.371 6.466 291 HD12 LEU 38 2HD1 LEU 38 -16.604 0.782 6.844 292 HD13 LEU 38 3HD1 LEU 38 -17.168 0.853 5.181 293 HD21 LEU 38 3HD2 LEU 38 -19.689 3.605 6.385 294 HD22 LEU 38 1HD2 LEU 38 -19.717 2.186 7.432 295 HD23 LEU 38 2HD2 LEU 38 -19.818 1.992 5.682 296 H PHE 39 H PHE 39 -16.346 1.744 9.620 297 HA PHE 39 HA PHE 39 -13.920 0.457 10.195 298 HB2 PHE 39 2HB PHE 39 -16.095 0.508 11.574 299 HB3 PHE 39 1HB PHE 39 -16.588 -0.877 10.601 300 HD1 PHE 39 2HD PHE 39 -13.569 0.323 12.484 301 HD2 PHE 39 1HD PHE 39 -16.086 -2.999 11.443 302 HE1 PHE 39 2HE PHE 39 -12.205 -1.160 13.923 303 HE2 PHE 39 1HE PHE 39 -14.719 -4.484 12.886 304 HZ PHE 39 HZ PHE 39 -12.778 -3.565 14.125 305 H THR 40 H THR 40 -16.541 -0.608 8.124 306 HA THR 40 HA THR 40 -15.230 -3.094 7.408 307 HB THR 40 HB THR 40 -17.409 -1.596 5.914 308 HG1 THR 40 1HG THR 40 -17.501 -3.642 7.877 309 HG21 THR 40 3HG2 THR 40 -16.403 -4.450 5.785 310 HG22 THR 40 1HG2 THR 40 -16.360 -3.246 4.496 311 HG23 THR 40 2HG2 THR 40 -17.904 -3.900 5.040 312 H GLY 41 H GLY 41 -14.283 -3.561 5.320 313 HA2 GLY 41 2HA GLY 41 -13.653 -2.361 3.097 314 HA3 GLY 41 1HA GLY 41 -12.892 -1.180 4.164 315 H GLU 42 H GLU 42 -12.798 -4.446 5.265 316 HA GLU 42 HA GLU 42 -9.882 -4.515 4.742 317 HB2 GLU 42 2HB GLU 42 -10.666 -4.938 7.050 318 HB3 GLU 42 1HB GLU 42 -11.628 -6.299 6.473 319 HG2 GLU 42 2HG GLU 42 -9.610 -7.452 5.721 320 HG3 GLU 42 1HG GLU 42 -8.618 -6.069 6.190 321 H CYS 43 H CYS 43 -9.106 -5.762 3.106 322 HA CYS 43 HA CYS 43 -10.856 -7.236 1.381 323 HB2 CYS 43 2HB CYS 43 -9.091 -6.824 0.074 324 HB3 CYS 43 1HB CYS 43 -8.071 -6.513 1.464 325 HXT CYS 43 2HT CYS 43 -9.266 -8.017 4.125 Start of MODEL 19 1 H1 CYS 1 1H CYS 1 5.398 -10.484 0.038 2 H2 CYS 1 2H CYS 1 3.777 -10.780 0.366 3 H3 CYS 1 3H CYS 1 4.372 -10.995 -1.192 4 HA CYS 1 HA CYS 1 4.811 -8.634 -1.396 5 HB2 CYS 1 2HB CYS 1 2.306 -7.935 -1.049 6 HB3 CYS 1 1HB CYS 1 2.697 -9.135 -2.272 7 H GLY 2 H GLY 2 4.281 -6.442 -0.426 8 HA2 GLY 2 2HA GLY 2 5.358 -6.214 2.181 9 HA3 GLY 2 1HA GLY 2 4.478 -4.933 1.358 10 H SER 3 H SER 3 2.232 -4.716 1.747 11 HA SER 3 HA SER 3 0.144 -5.124 2.831 12 HB2 SER 3 2HB SER 3 1.136 -7.572 3.126 13 HB3 SER 3 1HB SER 3 1.375 -7.035 4.782 14 HG SER 3 HG SER 3 -0.891 -7.775 3.540 15 H LYS 4 H LYS 4 -0.456 -5.209 5.411 16 HA LYS 4 HA LYS 4 0.087 -2.732 6.476 17 HB2 LYS 4 2HB LYS 4 -1.619 -4.056 7.441 18 HB3 LYS 4 1HB LYS 4 -0.516 -5.375 7.803 19 HG2 LYS 4 2HG LYS 4 0.545 -4.080 9.532 20 HG3 LYS 4 1HG LYS 4 -0.382 -2.641 9.093 21 HD2 LYS 4 2HD LYS 4 -2.461 -3.766 9.717 22 HD3 LYS 4 1HD LYS 4 -1.575 -5.252 10.067 23 HE2 LYS 4 2HE LYS 4 -0.214 -3.878 11.748 24 HE3 LYS 4 1HE LYS 4 -1.428 -2.615 11.537 25 HZ1 LYS 4 3HZ LYS 4 -1.608 -5.110 12.956 26 HZ2 LYS 4 1HZ LYS 4 -2.924 -4.838 11.922 27 HZ3 LYS 4 2HZ LYS 4 -2.539 -3.699 13.123 28 H ARG 5 H ARG 5 1.873 -1.726 7.258 29 HA ARG 5 HA ARG 5 4.149 -1.426 7.777 30 HB2 ARG 5 2HB ARG 5 4.297 -3.819 9.515 31 HB3 ARG 5 1HB ARG 5 4.626 -2.134 9.898 32 HG2 ARG 5 2HG ARG 5 1.781 -2.779 9.422 33 HG3 ARG 5 1HG ARG 5 2.473 -3.518 10.850 34 HD2 ARG 5 2HD ARG 5 3.364 -1.113 11.332 35 HD3 ARG 5 1HD ARG 5 2.124 -0.610 10.180 36 HE ARG 5 HE ARG 5 0.557 -2.050 11.731 37 HH11 ARG 5 1HH2 ARG 5 3.302 -0.173 12.663 38 HH12 ARG 5 2HH2 ARG 5 2.729 0.099 14.275 39 HH21 ARG 5 2HH1 ARG 5 -0.177 -1.736 13.842 40 HH22 ARG 5 1HH1 ARG 5 0.760 -0.784 14.942 41 H ALA 6 H ALA 6 4.736 -2.089 5.589 42 HA ALA 6 HA ALA 6 6.658 -4.229 5.504 43 HB1 ALA 6 1HB ALA 6 4.147 -4.802 3.942 44 HB2 ALA 6 2HB ALA 6 4.368 -5.434 5.574 45 HB3 ALA 6 3HB ALA 6 5.486 -5.896 4.294 46 H TRP 7 H TRP 7 8.015 -3.645 3.935 47 HA TRP 7 HA TRP 7 7.708 -1.476 2.205 48 HB2 TRP 7 2HB TRP 7 9.885 -2.274 2.626 49 HB3 TRP 7 1HB TRP 7 9.463 -3.917 2.149 50 HD1 TRP 7 HD TRP 7 9.734 -0.416 0.522 51 HE1 TRP 7 1HE TRP 7 10.567 -0.732 -1.900 52 HE3 TRP 7 3HE TRP 7 9.898 -5.512 0.308 53 HZ2 TRP 7 2HZ TRP 7 11.221 -2.871 -3.691 54 HZ3 TRP 7 3HZ TRP 7 10.631 -6.665 -1.758 55 HH2 TRP 7 HH TRP 7 11.292 -5.354 -3.757 56 H CYS 8 H CYS 8 6.955 -1.166 0.161 57 HA CYS 8 HA CYS 8 5.773 -3.537 -1.282 58 HB2 CYS 8 2HB CYS 8 3.863 -2.317 -0.624 59 HB3 CYS 8 1HB CYS 8 4.690 -0.769 -0.752 60 H LYS 9 H LYS 9 5.532 -2.933 -3.747 61 HA LYS 9 HA LYS 9 7.834 -1.191 -4.560 62 HB2 LYS 9 2HB LYS 9 8.279 -3.649 -4.974 63 HB3 LYS 9 1HB LYS 9 6.901 -3.647 -6.079 64 HG2 LYS 9 2HG LYS 9 8.830 -3.263 -7.448 65 HG3 LYS 9 1HG LYS 9 8.030 -1.701 -7.285 66 HD2 LYS 9 2HD LYS 9 9.758 -1.826 -5.074 67 HD3 LYS 9 1HD LYS 9 10.695 -2.524 -6.386 68 HE2 LYS 9 2HE LYS 9 11.015 -0.488 -7.324 69 HE3 LYS 9 1HE LYS 9 9.295 -0.117 -7.272 70 HZ1 LYS 9 3HZ LYS 9 10.578 1.415 -5.915 71 HZ2 LYS 9 1HZ LYS 9 11.178 0.123 -4.991 72 HZ3 LYS 9 2HZ LYS 9 9.520 0.494 -4.955 73 H GLU 10 H GLU 10 4.638 -2.425 -5.281 74 HA GLU 10 HA GLU 10 3.987 0.100 -6.662 75 HB2 GLU 10 2HB GLU 10 3.465 -2.590 -7.956 76 HB3 GLU 10 1HB GLU 10 2.961 -1.026 -8.579 77 HG2 GLU 10 2HG GLU 10 5.350 -0.338 -8.738 78 HG3 GLU 10 1HG GLU 10 5.826 -1.955 -8.207 79 H LYS 11 H LYS 11 1.516 0.067 -7.050 80 HA LYS 11 HA LYS 11 0.221 -0.514 -4.588 81 HB2 LYS 11 2HB LYS 11 -0.652 1.150 -6.165 82 HB3 LYS 11 1HB LYS 11 -0.966 -0.110 -7.353 83 HG2 LYS 11 2HG LYS 11 -3.045 0.463 -6.220 84 HG3 LYS 11 1HG LYS 11 -2.567 -1.169 -5.767 85 HD2 LYS 11 2HD LYS 11 -2.469 -0.599 -3.588 86 HD3 LYS 11 1HD LYS 11 -1.387 0.751 -3.933 87 HE2 LYS 11 2HE LYS 11 -4.395 0.842 -4.305 88 HE3 LYS 11 1HE LYS 11 -3.551 1.465 -2.887 89 HZ1 LYS 11 3HZ LYS 11 -2.241 2.484 -5.100 90 HZ2 LYS 11 1HZ LYS 11 -3.214 3.333 -4.003 91 HZ3 LYS 11 2HZ LYS 11 -3.899 2.679 -5.414 92 H LYS 12 H LYS 12 0.898 -2.459 -7.356 93 HA LYS 12 HA LYS 12 -0.992 -4.577 -6.530 94 HB2 LYS 12 2HB LYS 12 -0.851 -4.142 -8.902 95 HB3 LYS 12 1HB LYS 12 0.903 -4.334 -8.878 96 HG2 LYS 12 2HG LYS 12 0.684 -6.684 -8.270 97 HG3 LYS 12 1HG LYS 12 -1.066 -6.514 -8.128 98 HD2 LYS 12 2HD LYS 12 -1.296 -6.104 -10.487 99 HD3 LYS 12 1HD LYS 12 0.451 -5.965 -10.691 100 HE2 LYS 12 2HE LYS 12 -0.990 -8.479 -9.788 101 HE3 LYS 12 1HE LYS 12 -0.395 -8.186 -11.423 102 HZ1 LYS 12 3HZ LYS 12 1.602 -8.850 -10.787 103 HZ2 LYS 12 1HZ LYS 12 1.025 -9.156 -9.221 104 HZ3 LYS 12 2HZ LYS 12 1.663 -7.628 -9.608 105 H ASP 13 H ASP 13 2.506 -3.964 -6.601 106 HA ASP 13 HA ASP 13 3.354 -6.634 -6.062 107 HB2 ASP 13 2HB ASP 13 4.520 -3.971 -6.124 108 HB3 ASP 13 1HB ASP 13 5.220 -4.951 -4.845 109 H CYS 14 H CYS 14 1.551 -4.592 -4.135 110 HA CYS 14 HA CYS 14 2.624 -5.632 -1.578 111 HB2 CYS 14 2HB CYS 14 2.083 -3.319 -1.528 112 HB3 CYS 14 1HB CYS 14 0.527 -3.572 -2.290 113 H CYS 15 H CYS 15 1.049 -6.661 -0.036 114 HA CYS 15 HA CYS 15 -0.275 -8.827 -1.210 115 HB2 CYS 15 2HB CYS 15 -0.675 -7.510 1.490 116 HB3 CYS 15 1HB CYS 15 -1.340 -9.058 1.026 117 H CYS 16 H CYS 16 -2.373 -9.152 -1.877 118 HA CYS 16 HA CYS 16 -3.839 -6.946 -2.820 119 HB2 CYS 16 2HB CYS 16 -4.262 -9.841 -2.510 120 HB3 CYS 16 1HB CYS 16 -5.741 -8.900 -2.526 121 H GLY 17 H GLY 17 -5.189 -5.542 -1.828 122 HA2 GLY 17 2HA GLY 17 -7.006 -5.057 -0.267 123 HA3 GLY 17 1HA GLY 17 -6.381 -6.316 0.799 124 H TYR 18 H TYR 18 -3.643 -4.821 -0.271 125 HA TYR 18 HA TYR 18 -3.780 -2.812 2.016 126 HB2 TYR 18 2HB TYR 18 -1.471 -4.494 1.021 127 HB3 TYR 18 1HB TYR 18 -1.304 -3.204 2.212 128 HD1 TYR 18 1HD TYR 18 -2.699 -6.528 1.513 129 HD2 TYR 18 2HD TYR 18 -2.186 -3.455 4.457 130 HE1 TYR 18 1HE TYR 18 -3.467 -8.101 3.281 131 HE2 TYR 18 2HE TYR 18 -2.960 -5.020 6.226 132 HH TYR 18 HH TYR 18 -3.705 -7.048 6.688 133 H ASN 19 H ASN 19 -3.027 -0.739 1.580 134 HA ASN 19 HA ASN 19 -2.642 -0.095 -1.285 135 HB2 ASN 19 2HB ASN 19 -3.163 2.120 -0.725 136 HB3 ASN 19 1HB ASN 19 -4.117 1.219 0.452 137 HD21 ASN 19 1HD2 ASN 19 -2.579 3.968 0.493 138 HD22 ASN 19 2HD2 ASN 19 -1.742 3.902 1.966 139 H CYS 20 H CYS 20 -0.724 0.808 -2.098 140 HA CYS 20 HA CYS 20 1.666 0.295 -0.492 141 HB2 CYS 20 2HB CYS 20 1.061 0.865 -3.361 142 HB3 CYS 20 1HB CYS 20 2.692 1.009 -2.774 143 H VAL 21 H VAL 21 2.998 1.839 0.316 144 HA VAL 21 HA VAL 21 2.349 4.704 -0.283 145 HB VAL 21 HB VAL 21 3.303 3.369 2.268 146 HG11 VAL 21 1HG1 VAL 21 4.590 5.499 1.725 147 HG12 VAL 21 2HG1 VAL 21 3.679 5.537 3.231 148 HG13 VAL 21 3HG1 VAL 21 3.047 6.353 1.799 149 HG21 VAL 21 3HG2 VAL 21 1.063 5.357 2.022 150 HG22 VAL 21 1HG2 VAL 21 1.255 4.027 3.163 151 HG23 VAL 21 2HG2 VAL 21 0.791 3.695 1.495 152 H TYR 22 H TYR 22 3.865 5.156 -1.873 153 HA TYR 22 HA TYR 22 6.582 4.032 -1.736 154 HB2 TYR 22 2HB TYR 22 5.602 4.601 -3.883 155 HB3 TYR 22 1HB TYR 22 5.354 6.267 -3.373 156 HD1 TYR 22 2HD TYR 22 8.337 4.022 -2.956 157 HD2 TYR 22 1HD TYR 22 6.724 7.589 -4.726 158 HE1 TYR 22 2HE TYR 22 10.588 4.626 -3.792 159 HE2 TYR 22 1HE TYR 22 8.977 8.191 -5.562 160 HH TYR 22 HH TYR 22 11.695 5.972 -5.274 161 H ALA 23 H ALA 23 8.045 4.704 -0.227 162 HA ALA 23 HA ALA 23 7.804 7.452 0.865 163 HB1 ALA 23 1HB ALA 23 8.176 5.245 2.246 164 HB2 ALA 23 2HB ALA 23 9.016 6.725 2.710 165 HB3 ALA 23 3HB ALA 23 9.866 5.480 1.797 166 H TRP 24 H TRP 24 8.636 8.642 -0.911 167 HA TRP 24 HA TRP 24 11.026 8.185 -2.316 168 HB2 TRP 24 2HB TRP 24 11.116 10.726 -2.498 169 HB3 TRP 24 1HB TRP 24 9.620 9.968 -3.037 170 HD1 TRP 24 HD TRP 24 9.591 9.808 0.615 171 HE1 TRP 24 1HE TRP 24 8.191 11.715 1.622 172 HE3 TRP 24 3HE TRP 24 9.150 12.838 -3.476 173 HZ2 TRP 24 2HZ TRP 24 7.036 14.197 0.810 174 HZ3 TRP 24 3HZ TRP 24 7.894 14.968 -3.327 175 HH2 TRP 24 HH TRP 24 6.838 15.651 -1.191 176 H TYR 25 H TYR 25 10.719 8.421 0.998 177 HA TYR 25 HA TYR 25 12.924 10.136 1.741 178 HB2 TYR 25 2HB TYR 25 11.170 8.221 2.985 179 HB3 TYR 25 1HB TYR 25 12.818 7.905 3.518 180 HD1 TYR 25 2HD TYR 25 10.332 10.655 3.081 181 HD2 TYR 25 1HD TYR 25 13.824 9.267 5.159 182 HE1 TYR 25 2HE TYR 25 10.210 12.615 4.596 183 HE2 TYR 25 1HE TYR 25 13.703 11.223 6.677 184 HH TYR 25 HH TYR 25 11.794 12.811 7.481 185 H ASN 26 H ASN 26 12.884 6.611 1.135 186 HA ASN 26 HA ASN 26 15.677 6.791 0.217 187 HB2 ASN 26 2HB ASN 26 16.187 4.746 1.766 188 HB3 ASN 26 1HB ASN 26 16.238 6.371 2.450 189 HD21 ASN 26 1HD2 ASN 26 14.418 7.058 3.811 190 HD22 ASN 26 2HD2 ASN 26 13.346 5.917 4.469 191 H GLN 27 H GLN 27 13.448 6.277 -1.300 192 HA GLN 27 HA GLN 27 12.505 4.717 -2.765 193 HB2 GLN 27 2HB GLN 27 15.194 3.409 -2.277 194 HB3 GLN 27 1HB GLN 27 14.088 2.980 -3.583 195 HG2 GLN 27 2HG GLN 27 15.287 5.733 -3.148 196 HG3 GLN 27 1HG GLN 27 15.833 4.566 -4.352 197 HE21 GLN 27 1HE2 GLN 27 14.274 7.332 -4.416 198 HE22 GLN 27 2HE2 GLN 27 13.035 7.020 -5.532 199 H GLN 28 H GLN 28 11.789 4.363 0.030 200 HA GLN 28 HA GLN 28 11.478 1.378 0.083 201 HB2 GLN 28 2HB GLN 28 12.870 2.326 1.947 202 HB3 GLN 28 1HB GLN 28 11.472 3.274 2.450 203 HG2 GLN 28 2HG GLN 28 10.177 1.105 2.626 204 HG3 GLN 28 1HG GLN 28 11.700 0.256 2.361 205 HE21 GLN 28 1HE2 GLN 28 13.287 2.301 3.876 206 HE22 GLN 28 2HE2 GLN 28 12.922 2.041 5.515 207 H SER 29 H SER 29 9.407 0.897 -0.497 208 HA SER 29 HA SER 29 7.253 2.850 0.083 209 HB2 SER 29 2HB SER 29 7.074 0.242 -1.414 210 HB3 SER 29 1HB SER 29 5.886 1.530 -1.407 211 HG SER 29 HG SER 29 6.998 2.483 -2.906 212 H SER 30 H SER 30 5.104 1.713 0.833 213 HA SER 30 HA SER 30 5.600 -0.546 2.615 214 HB2 SER 30 2HB SER 30 5.865 1.803 3.769 215 HB3 SER 30 1HB SER 30 4.104 1.775 3.747 216 HG SER 30 HG SER 30 4.107 0.193 5.165 217 H CYS 31 H CYS 31 3.108 -0.315 3.955 218 HA CYS 31 HA CYS 31 0.992 -0.079 1.983 219 HB2 CYS 31 2HB CYS 31 2.369 -2.501 1.943 220 HB3 CYS 31 1HB CYS 31 0.937 -2.849 2.895 221 H GLU 32 H GLU 32 -0.985 0.110 2.943 222 HA GLU 32 HA GLU 32 -1.388 -0.904 5.694 223 HB2 GLU 32 2HB GLU 32 -1.560 1.115 6.739 224 HB3 GLU 32 1HB GLU 32 -0.527 1.657 5.418 225 HG2 GLU 32 2HG GLU 32 -2.462 2.389 4.143 226 HG3 GLU 32 1HG GLU 32 -3.548 1.729 5.363 227 H ARG 33 H ARG 33 -3.580 -1.359 6.141 228 HA ARG 33 HA ARG 33 -5.253 -1.960 3.946 229 HB2 ARG 33 2HB ARG 33 -7.018 -2.388 5.539 230 HB3 ARG 33 1HB ARG 33 -5.495 -2.952 6.221 231 HG2 ARG 33 2HG ARG 33 -5.683 -1.543 7.975 232 HG3 ARG 33 1HG ARG 33 -5.953 -0.166 6.921 233 HD2 ARG 33 2HD ARG 33 -7.887 -0.561 8.423 234 HD3 ARG 33 1HD ARG 33 -8.335 -0.753 6.728 235 HE ARG 33 HE ARG 33 -8.737 -3.035 7.156 236 HH11 ARG 33 1HH2 ARG 33 -6.806 -1.568 9.603 237 HH12 ARG 33 2HH2 ARG 33 -6.821 -2.958 10.638 238 HH21 ARG 33 2HH1 ARG 33 -8.779 -4.858 8.492 239 HH22 ARG 33 1HH1 ARG 33 -7.937 -4.825 10.050 240 H LYS 34 H LYS 34 -6.063 -0.492 2.560 241 HA LYS 34 HA LYS 34 -7.846 1.555 3.544 242 HB2 LYS 34 2HB LYS 34 -5.299 2.255 2.067 243 HB3 LYS 34 1HB LYS 34 -6.691 3.328 2.073 244 HG2 LYS 34 2HG LYS 34 -5.787 2.365 4.744 245 HG3 LYS 34 1HG LYS 34 -4.690 3.451 3.923 246 HD2 LYS 34 2HD LYS 34 -6.011 4.993 5.027 247 HD3 LYS 34 1HD LYS 34 -6.914 4.859 3.523 248 HE2 LYS 34 2HE LYS 34 -8.241 4.686 5.729 249 HE3 LYS 34 1HE LYS 34 -8.557 3.464 4.501 250 HZ1 LYS 34 3HZ LYS 34 -8.184 2.653 6.852 251 HZ2 LYS 34 1HZ LYS 34 -6.553 3.069 6.644 252 HZ3 LYS 34 2HZ LYS 34 -7.265 1.896 5.641 253 H TRP 35 H TRP 35 -8.669 -0.575 2.289 254 HA TRP 35 HA TRP 35 -8.876 0.131 -0.618 255 HB2 TRP 35 2HB TRP 35 -8.983 -2.508 0.833 256 HB3 TRP 35 1HB TRP 35 -9.581 -2.331 -0.817 257 HD1 TRP 35 HD TRP 35 -6.365 -1.655 1.204 258 HE1 TRP 35 1HE TRP 35 -4.358 -1.983 -0.375 259 HE3 TRP 35 3HE TRP 35 -8.819 -2.588 -3.165 260 HZ2 TRP 35 2HZ TRP 35 -3.853 -2.570 -3.132 261 HZ3 TRP 35 3HZ TRP 35 -7.562 -3.030 -5.251 262 HH2 TRP 35 HH TRP 35 -5.081 -3.024 -5.241 263 H LYS 36 H LYS 36 -10.672 -0.077 2.253 264 HA LYS 36 HA LYS 36 -13.002 -0.219 2.663 265 HB2 LYS 36 2HB LYS 36 -13.867 1.793 2.057 266 HB3 LYS 36 1HB LYS 36 -12.271 2.089 1.381 267 HG2 LYS 36 2HG LYS 36 -13.158 1.054 -0.793 268 HG3 LYS 36 1HG LYS 36 -14.760 1.171 -0.066 269 HD2 LYS 36 2HD LYS 36 -13.891 3.674 0.432 270 HD3 LYS 36 1HD LYS 36 -12.939 3.336 -1.012 271 HE2 LYS 36 2HE LYS 36 -14.744 3.675 -2.321 272 HE3 LYS 36 1HE LYS 36 -15.662 2.458 -1.440 273 HZ1 LYS 36 3HZ LYS 36 -16.642 3.997 -0.142 274 HZ2 LYS 36 1HZ LYS 36 -16.307 5.022 -1.452 275 HZ3 LYS 36 2HZ LYS 36 -15.279 5.012 -0.100 276 H TYR 37 H TYR 37 -11.772 -1.986 0.290 277 HA TYR 37 HA TYR 37 -14.460 -2.577 -0.993 278 HB2 TYR 37 2HB TYR 37 -11.642 -3.325 -1.828 279 HB3 TYR 37 1HB TYR 37 -13.097 -3.921 -2.624 280 HD1 TYR 37 1HD TYR 37 -14.843 -2.033 -3.307 281 HD2 TYR 37 2HD TYR 37 -10.651 -1.380 -2.648 282 HE1 TYR 37 1HE TYR 37 -14.951 0.038 -4.668 283 HE2 TYR 37 2HE TYR 37 -10.759 0.690 -4.004 284 HH TYR 37 HH TYR 37 -13.818 1.750 -5.499 285 H LEU 38 H LEU 38 -14.236 -3.409 1.611 286 HA LEU 38 HA LEU 38 -13.136 -5.978 2.009 287 HB2 LEU 38 2HB LEU 38 -13.856 -4.544 3.876 288 HB3 LEU 38 1HB LEU 38 -15.531 -4.708 3.357 289 HG LEU 38 HG LEU 38 -15.456 -7.123 3.766 290 HD11 LEU 38 1HD1 LEU 38 -12.548 -6.522 4.258 291 HD12 LEU 38 2HD1 LEU 38 -13.266 -7.824 3.308 292 HD13 LEU 38 3HD1 LEU 38 -13.308 -7.890 5.070 293 HD21 LEU 38 3HD2 LEU 38 -16.011 -5.592 5.645 294 HD22 LEU 38 1HD2 LEU 38 -14.308 -5.556 6.098 295 HD23 LEU 38 2HD2 LEU 38 -15.217 -7.062 6.211 296 H PHE 39 H PHE 39 -16.184 -4.902 0.667 297 HA PHE 39 HA PHE 39 -17.648 -7.292 0.706 298 HB2 PHE 39 2HB PHE 39 -18.651 -5.211 -0.030 299 HB3 PHE 39 1HB PHE 39 -17.540 -5.124 -1.395 300 HD1 PHE 39 1HD PHE 39 -20.303 -7.147 0.090 301 HD2 PHE 39 2HD PHE 39 -18.015 -6.237 -3.431 302 HE1 PHE 39 1HE PHE 39 -21.882 -8.477 -1.281 303 HE2 PHE 39 2HE PHE 39 -19.595 -7.568 -4.802 304 HZ PHE 39 HZ PHE 39 -21.529 -8.689 -3.727 305 H THR 40 H THR 40 -15.291 -6.183 -1.651 306 HA THR 40 HA THR 40 -15.429 -8.650 -3.216 307 HB THR 40 HB THR 40 -13.198 -6.600 -3.267 308 HG1 THR 40 1HG THR 40 -14.699 -5.950 -5.152 309 HG21 THR 40 3HG2 THR 40 -14.334 -8.547 -5.294 310 HG22 THR 40 1HG2 THR 40 -12.750 -8.637 -4.522 311 HG23 THR 40 2HG2 THR 40 -13.104 -7.335 -5.658 312 H GLY 41 H GLY 41 -13.492 -10.123 -3.408 313 HA2 GLY 41 2HA GLY 41 -12.072 -10.318 -0.773 314 HA3 GLY 41 1HA GLY 41 -12.580 -11.725 -1.702 315 H GLU 42 H GLU 42 -11.420 -9.265 -3.735 316 HA GLU 42 HA GLU 42 -8.633 -10.307 -3.614 317 HB2 GLU 42 2HB GLU 42 -8.533 -10.870 -5.894 318 HB3 GLU 42 1HB GLU 42 -10.113 -11.480 -5.409 319 HG2 GLU 42 2HG GLU 42 -11.228 -9.554 -6.348 320 HG3 GLU 42 1HG GLU 42 -9.687 -8.751 -6.664 321 H CYS 43 H CYS 43 -7.378 -8.936 -5.466 322 HA CYS 43 HA CYS 43 -8.314 -6.119 -5.399 323 HB2 CYS 43 2HB CYS 43 -6.500 -5.304 -4.228 324 HB3 CYS 43 1HB CYS 43 -6.622 -6.892 -3.472 325 HXT CYS 43 2HT CYS 43 -5.231 -5.936 -7.207 Start of MODEL 20 1 H1 CYS 1 1H CYS 1 5.609 -10.060 -0.889 2 H2 CYS 1 2H CYS 1 4.425 -10.920 -0.119 3 H3 CYS 1 3H CYS 1 4.525 -10.917 -1.797 4 HA CYS 1 HA CYS 1 3.932 -8.580 -1.866 5 HB2 CYS 1 2HB CYS 1 1.615 -8.865 -1.309 6 HB3 CYS 1 1HB CYS 1 2.184 -10.430 -1.870 7 H GLY 2 H GLY 2 4.075 -6.648 -0.752 8 HA2 GLY 2 2HA GLY 2 4.676 -6.791 2.134 9 HA3 GLY 2 1HA GLY 2 4.790 -5.354 1.119 10 H SER 3 H SER 3 2.963 -6.793 3.537 11 HA SER 3 HA SER 3 0.421 -5.468 2.735 12 HB2 SER 3 2HB SER 3 1.193 -7.447 4.871 13 HB3 SER 3 1HB SER 3 -0.267 -6.486 5.071 14 HG SER 3 HG SER 3 0.385 -8.386 3.103 15 H LYS 4 H LYS 4 -0.410 -4.750 5.439 16 HA LYS 4 HA LYS 4 0.547 -2.148 5.643 17 HB2 LYS 4 2HB LYS 4 -1.338 -3.185 7.002 18 HB3 LYS 4 1HB LYS 4 -0.105 -3.833 8.076 19 HG2 LYS 4 2HG LYS 4 0.308 -0.989 7.547 20 HG3 LYS 4 1HG LYS 4 -1.283 -1.295 8.238 21 HD2 LYS 4 2HD LYS 4 -0.371 -2.295 10.178 22 HD3 LYS 4 1HD LYS 4 1.216 -2.501 9.430 23 HE2 LYS 4 2HE LYS 4 1.329 0.041 9.259 24 HE3 LYS 4 1HE LYS 4 -0.098 0.088 10.295 25 HZ1 LYS 4 3HZ LYS 4 2.554 -0.156 11.067 26 HZ2 LYS 4 1HZ LYS 4 1.828 -1.652 11.395 27 HZ3 LYS 4 2HZ LYS 4 1.176 -0.232 12.057 28 H ARG 5 H ARG 5 2.295 -1.164 6.794 29 HA ARG 5 HA ARG 5 4.604 -1.108 7.197 30 HB2 ARG 5 2HB ARG 5 5.108 -1.806 9.381 31 HB3 ARG 5 1HB ARG 5 3.369 -1.562 9.430 32 HG2 ARG 5 2HG ARG 5 3.162 -4.073 8.935 33 HG3 ARG 5 1HG ARG 5 4.881 -4.173 9.304 34 HD2 ARG 5 2HD ARG 5 2.778 -3.047 11.166 35 HD3 ARG 5 1HD ARG 5 3.478 -4.659 11.289 36 HE ARG 5 HE ARG 5 4.815 -2.133 11.987 37 HH11 ARG 5 1HH2 ARG 5 5.043 -5.493 11.218 38 HH12 ARG 5 2HH2 ARG 5 6.561 -5.707 12.023 39 HH21 ARG 5 2HH1 ARG 5 6.794 -2.399 13.035 40 HH22 ARG 5 1HH1 ARG 5 7.552 -3.955 13.050 41 H ALA 6 H ALA 6 5.095 -2.072 5.143 42 HA ALA 6 HA ALA 6 6.957 -4.234 5.275 43 HB1 ALA 6 1HB ALA 6 4.921 -5.634 5.540 44 HB2 ALA 6 2HB ALA 6 5.737 -5.965 4.016 45 HB3 ALA 6 3HB ALA 6 4.284 -4.971 4.037 46 H TRP 7 H TRP 7 8.304 -3.821 3.624 47 HA TRP 7 HA TRP 7 8.085 -1.820 1.756 48 HB2 TRP 7 2HB TRP 7 10.166 -3.004 2.174 49 HB3 TRP 7 1HB TRP 7 9.520 -4.455 1.406 50 HD1 TRP 7 HD TRP 7 10.361 -0.786 0.530 51 HE1 TRP 7 1HE TRP 7 10.962 -0.680 -1.978 52 HE3 TRP 7 3HE TRP 7 9.452 -5.631 -0.799 53 HZ2 TRP 7 2HZ TRP 7 11.036 -2.433 -4.251 54 HZ3 TRP 7 3HZ TRP 7 9.802 -6.385 -3.132 55 HH2 TRP 7 HH TRP 7 10.601 -4.795 -4.855 56 H CYS 8 H CYS 8 7.092 -1.470 -0.155 57 HA CYS 8 HA CYS 8 5.687 -3.776 -1.514 58 HB2 CYS 8 2HB CYS 8 3.817 -2.579 -0.806 59 HB3 CYS 8 1HB CYS 8 4.700 -1.062 -0.691 60 H LYS 9 H LYS 9 6.106 -3.918 -3.694 61 HA LYS 9 HA LYS 9 8.144 -2.126 -4.835 62 HB2 LYS 9 2HB LYS 9 8.410 -4.423 -5.407 63 HB3 LYS 9 1HB LYS 9 6.719 -4.603 -5.778 64 HG2 LYS 9 2HG LYS 9 6.984 -3.130 -7.749 65 HG3 LYS 9 1HG LYS 9 8.705 -2.990 -7.384 66 HD2 LYS 9 2HD LYS 9 8.948 -5.442 -7.629 67 HD3 LYS 9 1HD LYS 9 7.228 -5.575 -7.994 68 HE2 LYS 9 2HE LYS 9 8.849 -3.666 -9.635 69 HE3 LYS 9 1HE LYS 9 9.044 -5.392 -9.946 70 HZ1 LYS 9 3HZ LYS 9 7.181 -4.015 -11.133 71 HZ2 LYS 9 1HZ LYS 9 6.327 -4.318 -9.698 72 HZ3 LYS 9 2HZ LYS 9 6.898 -5.615 -10.636 73 H GLU 10 H GLU 10 4.742 -2.924 -5.318 74 HA GLU 10 HA GLU 10 4.217 -0.258 -6.381 75 HB2 GLU 10 2HB GLU 10 4.828 -1.271 -8.463 76 HB3 GLU 10 1HB GLU 10 3.863 -2.703 -8.135 77 HG2 GLU 10 2HG GLU 10 1.826 -1.442 -8.348 78 HG3 GLU 10 1HG GLU 10 2.706 0.084 -8.397 79 H LYS 11 H LYS 11 1.733 -0.342 -7.072 80 HA LYS 11 HA LYS 11 0.309 -0.948 -4.674 81 HB2 LYS 11 2HB LYS 11 -0.500 0.653 -6.429 82 HB3 LYS 11 1HB LYS 11 -0.879 -0.727 -7.462 83 HG2 LYS 11 2HG LYS 11 -2.438 -1.597 -5.783 84 HG3 LYS 11 1HG LYS 11 -2.015 -0.288 -4.684 85 HD2 LYS 11 2HD LYS 11 -3.791 0.803 -5.594 86 HD3 LYS 11 1HD LYS 11 -2.726 1.098 -6.968 87 HE2 LYS 11 2HE LYS 11 -4.784 -1.091 -6.641 88 HE3 LYS 11 1HE LYS 11 -4.693 0.138 -7.902 89 HZ1 LYS 11 3HZ LYS 11 -2.520 -1.823 -7.516 90 HZ2 LYS 11 1HZ LYS 11 -2.882 -0.903 -8.892 91 HZ3 LYS 11 2HZ LYS 11 -3.884 -2.203 -8.452 92 H LYS 12 H LYS 12 0.587 -2.762 -7.724 93 HA LYS 12 HA LYS 12 -1.118 -4.917 -6.867 94 HB2 LYS 12 2HB LYS 12 -0.253 -4.202 -9.271 95 HB3 LYS 12 1HB LYS 12 1.047 -5.334 -8.908 96 HG2 LYS 12 2HG LYS 12 -1.793 -6.205 -8.438 97 HG3 LYS 12 1HG LYS 12 -1.181 -6.167 -10.087 98 HD2 LYS 12 2HD LYS 12 0.375 -7.845 -9.707 99 HD3 LYS 12 1HD LYS 12 0.497 -7.492 -7.986 100 HE2 LYS 12 2HE LYS 12 -2.151 -8.439 -8.990 101 HE3 LYS 12 1HE LYS 12 -0.849 -9.625 -8.891 102 HZ1 LYS 12 3HZ LYS 12 -2.195 -9.420 -6.835 103 HZ2 LYS 12 1HZ LYS 12 -1.625 -7.833 -6.658 104 HZ3 LYS 12 2HZ LYS 12 -0.537 -9.135 -6.598 105 H ASP 13 H ASP 13 2.410 -4.413 -6.688 106 HA ASP 13 HA ASP 13 3.127 -7.056 -5.923 107 HB2 ASP 13 2HB ASP 13 4.629 -4.947 -6.420 108 HB3 ASP 13 1HB ASP 13 4.525 -4.708 -4.686 109 H CYS 14 H CYS 14 1.558 -4.543 -4.098 110 HA CYS 14 HA CYS 14 2.231 -5.702 -1.504 111 HB2 CYS 14 2HB CYS 14 1.803 -3.366 -1.575 112 HB3 CYS 14 1HB CYS 14 0.275 -3.580 -2.414 113 H CYS 15 H CYS 15 0.914 -7.036 -0.259 114 HA CYS 15 HA CYS 15 -0.658 -8.933 -1.552 115 HB2 CYS 15 2HB CYS 15 -0.014 -8.227 1.172 116 HB3 CYS 15 1HB CYS 15 -1.699 -8.718 1.064 117 H CYS 16 H CYS 16 -2.541 -8.799 -2.530 118 HA CYS 16 HA CYS 16 -4.133 -6.621 -2.945 119 HB2 CYS 16 2HB CYS 16 -4.372 -9.210 -3.603 120 HB3 CYS 16 1HB CYS 16 -5.612 -9.143 -2.359 121 H GLY 17 H GLY 17 -5.634 -5.418 -1.803 122 HA2 GLY 17 2HA GLY 17 -7.270 -5.111 -0.032 123 HA3 GLY 17 1HA GLY 17 -6.475 -6.385 0.888 124 H TYR 18 H TYR 18 -3.830 -4.910 -0.115 125 HA TYR 18 HA TYR 18 -3.927 -2.920 2.180 126 HB2 TYR 18 2HB TYR 18 -1.720 -4.628 1.065 127 HB3 TYR 18 1HB TYR 18 -1.387 -3.252 2.112 128 HD1 TYR 18 1HD TYR 18 -2.216 -3.203 4.414 129 HD2 TYR 18 2HD TYR 18 -2.733 -6.638 1.902 130 HE1 TYR 18 1HE TYR 18 -2.779 -4.572 6.408 131 HE2 TYR 18 2HE TYR 18 -3.289 -8.018 3.896 132 HH TYR 18 HH TYR 18 -2.973 -8.003 6.286 133 H ASN 19 H ASN 19 -2.927 -0.868 1.895 134 HA ASN 19 HA ASN 19 -2.875 0.026 -0.948 135 HB2 ASN 19 2HB ASN 19 -4.267 1.405 0.379 136 HB3 ASN 19 1HB ASN 19 -3.131 1.413 1.722 137 HD21 ASN 19 1HD2 ASN 19 -1.806 3.223 1.855 138 HD22 ASN 19 2HD2 ASN 19 -1.531 4.318 0.596 139 H CYS 20 H CYS 20 -0.951 0.614 -1.945 140 HA CYS 20 HA CYS 20 1.547 0.284 -0.454 141 HB2 CYS 20 2HB CYS 20 0.746 0.633 -3.304 142 HB3 CYS 20 1HB CYS 20 2.384 0.985 -2.860 143 H VAL 21 H VAL 21 2.995 1.944 0.020 144 HA VAL 21 HA VAL 21 2.212 4.711 -0.793 145 HB VAL 21 HB VAL 21 1.686 3.822 1.713 146 HG11 VAL 21 1HG1 VAL 21 4.296 3.473 1.891 147 HG12 VAL 21 2HG1 VAL 21 3.400 4.123 3.252 148 HG13 VAL 21 3HG1 VAL 21 4.305 5.207 2.193 149 HG21 VAL 21 3HG2 VAL 21 2.534 6.516 0.685 150 HG22 VAL 21 1HG2 VAL 21 2.148 6.317 2.396 151 HG23 VAL 21 2HG2 VAL 21 0.930 5.961 1.170 152 H TYR 22 H TYR 22 4.000 6.086 -1.225 153 HA TYR 22 HA TYR 22 6.663 4.616 -1.132 154 HB2 TYR 22 2HB TYR 22 5.538 5.520 -3.345 155 HB3 TYR 22 1HB TYR 22 6.153 7.074 -2.791 156 HD1 TYR 22 1HD TYR 22 8.651 5.584 -1.351 157 HD2 TYR 22 2HD TYR 22 7.007 5.630 -5.326 158 HE1 TYR 22 1HE TYR 22 10.863 5.020 -2.271 159 HE2 TYR 22 2HE TYR 22 9.237 5.061 -6.240 160 HH TYR 22 HH TYR 22 11.955 5.494 -4.847 161 H ALA 23 H ALA 23 7.824 5.311 0.658 162 HA ALA 23 HA ALA 23 7.389 8.072 1.644 163 HB1 ALA 23 1HB ALA 23 9.236 7.232 3.323 164 HB2 ALA 23 2HB ALA 23 8.802 5.644 2.702 165 HB3 ALA 23 3HB ALA 23 7.581 6.648 3.482 166 H TRP 24 H TRP 24 8.379 9.358 0.049 167 HA TRP 24 HA TRP 24 10.864 8.886 -1.185 168 HB2 TRP 24 2HB TRP 24 10.177 10.781 -2.204 169 HB3 TRP 24 1HB TRP 24 9.017 11.091 -0.915 170 HD1 TRP 24 HD TRP 24 10.090 12.289 1.338 171 HE1 TRP 24 1HE TRP 24 11.880 14.145 1.477 172 HE3 TRP 24 3HE TRP 24 12.182 11.820 -3.286 173 HZ2 TRP 24 2HZ TRP 24 13.932 15.276 -0.173 174 HZ3 TRP 24 3HZ TRP 24 14.050 13.292 -3.982 175 HH2 TRP 24 HH TRP 24 14.927 15.019 -2.433 176 H TYR 25 H TYR 25 10.120 10.359 2.005 177 HA TYR 25 HA TYR 25 12.830 11.234 2.536 178 HB2 TYR 25 2HB TYR 25 11.760 10.362 5.012 179 HB3 TYR 25 1HB TYR 25 11.757 12.003 4.375 180 HD1 TYR 25 1HD TYR 25 9.822 8.860 4.621 181 HD2 TYR 25 2HD TYR 25 9.761 12.993 3.474 182 HE1 TYR 25 1HE TYR 25 7.350 8.768 4.418 183 HE2 TYR 25 2HE TYR 25 7.291 12.904 3.266 184 HH TYR 25 HH TYR 25 5.570 10.166 3.007 185 H ASN 26 H ASN 26 11.233 8.115 3.245 186 HA ASN 26 HA ASN 26 13.848 6.996 4.092 187 HB2 ASN 26 2HB ASN 26 11.080 5.750 3.958 188 HB3 ASN 26 1HB ASN 26 12.519 4.961 4.608 189 HD21 ASN 26 1HD2 ASN 26 9.812 6.452 5.672 190 HD22 ASN 26 2HD2 ASN 26 10.396 7.175 7.093 191 H GLN 27 H GLN 27 12.119 7.460 1.261 192 HA GLN 27 HA GLN 27 12.333 6.586 -0.895 193 HB2 GLN 27 2HB GLN 27 14.889 6.656 0.205 194 HB3 GLN 27 1HB GLN 27 14.754 5.003 -0.394 195 HG2 GLN 27 2HG GLN 27 15.569 6.240 -2.247 196 HG3 GLN 27 1HG GLN 27 13.843 6.058 -2.567 197 HE21 GLN 27 1HE2 GLN 27 12.465 7.962 -2.292 198 HE22 GLN 27 2HE2 GLN 27 13.128 9.520 -2.177 199 H GLN 28 H GLN 28 11.563 4.807 1.685 200 HA GLN 28 HA GLN 28 11.512 2.208 0.199 201 HB2 GLN 28 2HB GLN 28 11.255 2.807 3.162 202 HB3 GLN 28 1HB GLN 28 11.059 1.206 2.451 203 HG2 GLN 28 2HG GLN 28 13.556 2.896 2.170 204 HG3 GLN 28 1HG GLN 28 13.359 1.610 3.359 205 HE21 GLN 28 1HE2 GLN 28 12.125 -0.411 1.921 206 HE22 GLN 28 2HE2 GLN 28 13.098 -0.890 0.615 207 H SER 29 H SER 29 9.524 1.309 -0.288 208 HA SER 29 HA SER 29 7.152 2.972 0.345 209 HB2 SER 29 2HB SER 29 7.630 0.705 -1.589 210 HB3 SER 29 1HB SER 29 6.015 1.298 -1.239 211 HG SER 29 HG SER 29 6.424 3.050 -2.341 212 H SER 30 H SER 30 5.408 2.128 1.545 213 HA SER 30 HA SER 30 5.653 -0.582 2.609 214 HB2 SER 30 2HB SER 30 5.620 0.060 4.868 215 HB3 SER 30 1HB SER 30 6.712 1.238 4.142 216 HG SER 30 HG SER 30 5.284 2.464 5.221 217 H CYS 31 H CYS 31 3.695 -1.579 2.562 218 HA CYS 31 HA CYS 31 1.376 -0.127 1.686 219 HB2 CYS 31 2HB CYS 31 2.137 -2.822 1.824 220 HB3 CYS 31 1HB CYS 31 0.706 -2.695 2.843 221 H GLU 32 H GLU 32 -0.708 -0.045 2.855 222 HA GLU 32 HA GLU 32 -0.494 -0.107 5.808 223 HB2 GLU 32 2HB GLU 32 -1.182 2.374 4.209 224 HB3 GLU 32 1HB GLU 32 -1.451 2.208 5.943 225 HG2 GLU 32 2HG GLU 32 0.923 1.843 6.309 226 HG3 GLU 32 1HG GLU 32 1.240 1.925 4.581 227 H ARG 33 H ARG 33 -2.439 -0.645 6.757 228 HA ARG 33 HA ARG 33 -4.614 -1.490 5.063 229 HB2 ARG 33 2HB ARG 33 -5.511 -2.409 6.971 230 HB3 ARG 33 1HB ARG 33 -3.877 -2.165 7.565 231 HG2 ARG 33 2HG ARG 33 -5.929 0.023 7.917 232 HG3 ARG 33 1HG ARG 33 -5.907 -1.351 9.008 233 HD2 ARG 33 2HD ARG 33 -3.370 0.159 8.418 234 HD3 ARG 33 1HD ARG 33 -4.492 0.718 9.660 235 HE ARG 33 HE ARG 33 -3.898 -2.091 9.995 236 HH11 ARG 33 1HH2 ARG 33 -2.712 1.115 10.406 237 HH12 ARG 33 2HH2 ARG 33 -1.687 0.709 11.742 238 HH21 ARG 33 2HH1 ARG 33 -2.572 -2.643 11.745 239 HH22 ARG 33 1HH1 ARG 33 -1.606 -1.419 12.501 240 H LYS 34 H LYS 34 -6.293 -0.256 4.297 241 HA LYS 34 HA LYS 34 -7.180 2.090 5.719 242 HB2 LYS 34 2HB LYS 34 -5.824 2.390 3.033 243 HB3 LYS 34 1HB LYS 34 -6.847 3.630 3.752 244 HG2 LYS 34 2HG LYS 34 -5.307 3.571 5.781 245 HG3 LYS 34 1HG LYS 34 -4.219 2.550 4.831 246 HD2 LYS 34 2HD LYS 34 -4.017 4.274 3.127 247 HD3 LYS 34 1HD LYS 34 -5.171 5.297 3.985 248 HE2 LYS 34 2HE LYS 34 -3.659 5.383 5.931 249 HE3 LYS 34 1HE LYS 34 -2.504 4.362 5.077 250 HZ1 LYS 34 3HZ LYS 34 -1.656 6.228 4.265 251 HZ2 LYS 34 1HZ LYS 34 -2.944 7.166 4.849 252 HZ3 LYS 34 2HZ LYS 34 -3.069 6.401 3.337 253 H TRP 35 H TRP 35 -8.234 -0.477 4.646 254 HA TRP 35 HA TRP 35 -10.358 0.608 2.821 255 HB2 TRP 35 2HB TRP 35 -9.133 -2.130 3.105 256 HB3 TRP 35 1HB TRP 35 -10.639 -1.860 2.223 257 HD1 TRP 35 HD TRP 35 -6.896 -1.261 2.025 258 HE1 TRP 35 1HE TRP 35 -6.302 -0.371 -0.322 259 HE3 TRP 35 3HE TRP 35 -11.585 -0.508 0.149 260 HZ2 TRP 35 2HZ TRP 35 -7.639 0.532 -2.680 261 HZ3 TRP 35 3HZ TRP 35 -11.894 0.365 -2.156 262 HH2 TRP 35 HH TRP 35 -9.927 0.883 -3.570 263 H LYS 36 H LYS 36 -9.766 -0.297 5.930 264 HA LYS 36 HA LYS 36 -11.826 -2.010 6.718 265 HB2 LYS 36 2HB LYS 36 -9.995 -0.280 7.996 266 HB3 LYS 36 1HB LYS 36 -11.575 0.177 8.617 267 HG2 LYS 36 2HG LYS 36 -10.831 -1.545 10.074 268 HG3 LYS 36 1HG LYS 36 -11.982 -2.335 8.997 269 HD2 LYS 36 2HD LYS 36 -9.969 -3.721 9.217 270 HD3 LYS 36 1HD LYS 36 -10.085 -3.101 7.573 271 HE2 LYS 36 2HE LYS 36 -8.270 -1.695 7.826 272 HE3 LYS 36 1HE LYS 36 -8.566 -1.449 9.546 273 HZ1 LYS 36 3HZ LYS 36 -7.908 -4.163 8.846 274 HZ2 LYS 36 1HZ LYS 36 -7.289 -3.179 10.081 275 HZ3 LYS 36 2HZ LYS 36 -6.668 -3.053 8.506 276 H TYR 37 H TYR 37 -12.122 1.022 5.227 277 HA TYR 37 HA TYR 37 -14.994 1.216 6.213 278 HB2 TYR 37 2HB TYR 37 -14.499 3.602 4.918 279 HB3 TYR 37 1HB TYR 37 -14.364 3.357 6.657 280 HD1 TYR 37 2HD TYR 37 -12.121 2.686 7.637 281 HD2 TYR 37 1HD TYR 37 -12.582 4.053 3.591 282 HE1 TYR 37 2HE TYR 37 -9.691 3.158 7.521 283 HE2 TYR 37 1HE TYR 37 -10.149 4.527 3.475 284 HH TYR 37 HH TYR 37 -8.219 4.538 4.578 285 H LEU 38 H LEU 38 -14.297 -0.670 4.244 286 HA LEU 38 HA LEU 38 -15.856 0.339 2.010 287 HB2 LEU 38 2HB LEU 38 -13.101 0.240 1.801 288 HB3 LEU 38 1HB LEU 38 -13.572 -1.316 1.138 289 HG LEU 38 HG LEU 38 -13.338 0.712 -0.472 290 HD11 LEU 38 1HD1 LEU 38 -15.813 -1.017 -0.491 291 HD12 LEU 38 2HD1 LEU 38 -14.252 -1.418 -1.190 292 HD13 LEU 38 3HD1 LEU 38 -15.214 -0.110 -1.870 293 HD21 LEU 38 3HD2 LEU 38 -16.163 1.263 0.441 294 HD22 LEU 38 1HD2 LEU 38 -15.193 2.182 -0.703 295 HD23 LEU 38 2HD2 LEU 38 -14.780 2.196 1.011 296 H PHE 39 H PHE 39 -16.885 -1.411 0.790 297 HA PHE 39 HA PHE 39 -17.921 -3.503 2.279 298 HB2 PHE 39 2HB PHE 39 -18.758 -2.934 0.037 299 HB3 PHE 39 1HB PHE 39 -17.261 -3.521 -0.684 300 HD1 PHE 39 1HD PHE 39 -19.732 -4.787 1.852 301 HD2 PHE 39 2HD PHE 39 -17.442 -5.621 -1.689 302 HE1 PHE 39 1HE PHE 39 -20.675 -7.076 1.780 303 HE2 PHE 39 2HE PHE 39 -18.391 -7.913 -1.757 304 HZ PHE 39 HZ PHE 39 -20.030 -8.640 -0.022 305 H THR 40 H THR 40 -16.816 -5.023 3.391 306 HA THR 40 HA THR 40 -14.925 -6.322 4.021 307 HB THR 40 HB THR 40 -15.465 -7.528 1.301 308 HG1 THR 40 1HG THR 40 -16.881 -8.617 3.288 309 HG21 THR 40 3HG2 THR 40 -14.437 -8.529 3.955 310 HG22 THR 40 1HG2 THR 40 -13.685 -8.664 2.366 311 HG23 THR 40 2HG2 THR 40 -15.103 -9.633 2.755 312 H GLY 41 H GLY 41 -13.785 -7.374 1.099 313 HA2 GLY 41 2HA GLY 41 -11.963 -5.155 0.539 314 HA3 GLY 41 1HA GLY 41 -11.190 -6.545 1.302 315 H GLU 42 H GLU 42 -13.032 -8.472 -0.078 316 HA GLU 42 HA GLU 42 -12.583 -9.872 -1.935 317 HB2 GLU 42 2HB GLU 42 -13.169 -8.378 -4.122 318 HB3 GLU 42 1HB GLU 42 -14.391 -9.051 -3.055 319 HG2 GLU 42 2HG GLU 42 -13.281 -6.361 -2.361 320 HG3 GLU 42 1HG GLU 42 -14.386 -6.469 -3.715 321 H CYS 43 H CYS 43 -10.209 -9.650 -1.311 322 HA CYS 43 HA CYS 43 -8.721 -8.707 -3.704 323 HB2 CYS 43 2HB CYS 43 -8.810 -7.258 -1.313 324 HB3 CYS 43 1HB CYS 43 -7.289 -8.137 -1.217 325 HXT CYS 43 2HT CYS 43 -6.664 -11.448 -3.065
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