NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
550100 | 2lua | 18514 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 8 1HT SER 8 -17.743 5.616 0.298 2 H2 SER 8 2HT SER 8 -17.955 4.656 1.677 3 H3 SER 8 3HT SER 8 -18.034 3.976 0.130 4 HA SER 8 HA SER 8 -15.630 5.178 1.298 5 HB2 SER 8 2HB SER 8 -16.257 2.251 0.731 6 HB3 SER 8 1HB SER 8 -14.807 2.892 1.483 7 HG SER 8 HG SER 8 -17.408 2.657 2.539 8 HA PRO 9 HA PRO 9 -14.456 5.376 -3.024 9 HB2 PRO 9 2HB PRO 9 -11.768 5.552 -2.759 10 HB3 PRO 9 1HB PRO 9 -12.830 6.890 -2.311 11 HG2 PRO 9 2HG PRO 9 -11.561 4.816 -0.568 12 HG3 PRO 9 1HG PRO 9 -11.671 6.568 -0.317 13 HD2 PRO 9 2HD PRO 9 -13.343 4.822 0.899 14 HD3 PRO 9 1HD PRO 9 -13.860 6.450 0.420 15 HA PRO 10 HA PRO 10 -13.244 1.287 -4.369 16 HB2 PRO 10 2HB PRO 10 -11.246 2.447 -6.219 17 HB3 PRO 10 1HB PRO 10 -12.661 1.463 -6.591 18 HG2 PRO 10 2HG PRO 10 -12.595 4.080 -7.163 19 HG3 PRO 10 1HG PRO 10 -14.083 3.284 -6.631 20 HD2 PRO 10 2HD PRO 10 -12.212 5.020 -5.090 21 HD3 PRO 10 1HD PRO 10 -13.986 4.949 -5.048 22 H LYS 11 H LYS 11 -11.888 -0.067 -3.353 23 HA LYS 11 HA LYS 11 -9.385 1.045 -2.319 24 HB2 LYS 11 2HB LYS 11 -10.812 -1.441 -1.405 25 HB3 LYS 11 1HB LYS 11 -9.463 -0.667 -0.626 26 HG2 LYS 11 2HG LYS 11 -12.232 0.518 -0.860 27 HG3 LYS 11 1HG LYS 11 -11.569 -0.253 0.575 28 HD2 LYS 11 2HD LYS 11 -10.482 2.247 -0.739 29 HD3 LYS 11 1HD LYS 11 -11.493 2.211 0.700 30 HE2 LYS 11 2HE LYS 11 -9.744 0.904 1.863 31 HE3 LYS 11 1HE LYS 11 -8.729 1.023 0.428 32 HZ1 LYS 11 3HZ LYS 11 -8.145 2.721 2.061 33 HZ2 LYS 11 1HZ LYS 11 -9.722 3.292 2.046 34 HZ3 LYS 11 2HZ LYS 11 -8.816 3.460 0.667 35 HA PRO 12 HA PRO 12 -7.574 -1.917 -5.222 36 HB2 PRO 12 2HB PRO 12 -5.054 -0.639 -4.569 37 HB3 PRO 12 1HB PRO 12 -5.912 -0.627 -6.110 38 HG2 PRO 12 2HG PRO 12 -5.612 1.580 -4.507 39 HG3 PRO 12 1HG PRO 12 -6.921 1.358 -5.674 40 HD2 PRO 12 2HD PRO 12 -6.987 1.009 -2.693 41 HD3 PRO 12 1HD PRO 12 -8.217 1.623 -3.819 42 H LYS 13 H LYS 13 -6.252 -3.698 -4.798 43 HA LYS 13 HA LYS 13 -5.274 -3.907 -2.067 44 HB2 LYS 13 2HB LYS 13 -5.958 -6.279 -2.037 45 HB3 LYS 13 1HB LYS 13 -7.318 -5.185 -2.205 46 HG2 LYS 13 2HG LYS 13 -7.251 -5.659 -4.684 47 HG3 LYS 13 1HG LYS 13 -6.079 -6.925 -4.326 48 HD2 LYS 13 2HD LYS 13 -8.252 -7.932 -4.471 49 HD3 LYS 13 1HD LYS 13 -7.757 -7.945 -2.780 50 HE2 LYS 13 2HE LYS 13 -9.130 -5.939 -2.359 51 HE3 LYS 13 1HE LYS 13 -9.604 -5.921 -4.054 52 HZ1 LYS 13 3HZ LYS 13 -10.231 -8.042 -2.079 53 HZ2 LYS 13 1HZ LYS 13 -10.702 -8.060 -3.709 54 HZ3 LYS 13 2HZ LYS 13 -11.280 -6.869 -2.675 55 H CYS 14 H CYS 14 -3.387 -5.091 -1.803 56 HA CYS 14 HA CYS 14 -1.953 -5.700 -4.273 57 HB2 CYS 14 2HB CYS 14 0.000 -4.468 -3.464 58 HB3 CYS 14 1HB CYS 14 -1.387 -3.405 -3.640 59 H ARG 15 H ARG 15 0.074 -6.839 -3.778 60 HA ARG 15 HA ARG 15 -0.092 -8.488 -1.336 61 HB2 ARG 15 2HB ARG 15 0.793 -9.355 -4.096 62 HB3 ARG 15 1HB ARG 15 0.728 -10.362 -2.664 63 HG2 ARG 15 2HG ARG 15 -1.706 -10.128 -2.614 64 HG3 ARG 15 1HG ARG 15 -1.625 -9.139 -4.075 65 HD2 ARG 15 2HD ARG 15 -0.588 -11.010 -5.267 66 HD3 ARG 15 1HD ARG 15 -0.706 -11.994 -3.812 67 HE ARG 15 HE ARG 15 -3.149 -10.848 -4.899 68 HH11 ARG 15 1HH1 ARG 15 -1.116 -13.736 -4.517 69 HH12 ARG 15 2HH1 ARG 15 -2.380 -14.813 -4.847 70 HH21 ARG 15 1HH2 ARG 15 -4.844 -12.336 -5.380 71 HH22 ARG 15 2HH2 ARG 15 -4.536 -14.019 -5.368 72 H CYS 16 H CYS 16 1.365 -6.047 -1.836 73 HA CYS 16 HA CYS 16 4.030 -6.335 -2.610 74 HB2 CYS 16 2HB CYS 16 2.898 -4.453 -0.525 75 HB3 CYS 16 1HB CYS 16 4.469 -4.299 -1.296 76 H GLY 17 H GLY 17 5.291 -7.856 -1.831 77 HA2 GLY 17 2HA GLY 17 6.843 -8.127 0.143 78 HA3 GLY 17 1HA GLY 17 5.354 -8.318 1.079 79 H ILE 18 H ILE 18 3.818 -9.752 -0.612 80 HA ILE 18 HA ILE 18 4.907 -12.403 -0.496 81 HB ILE 18 HB ILE 18 2.374 -11.342 -1.775 82 HG12 ILE 18 2HG1 ILE 18 2.616 -10.811 0.637 83 HG13 ILE 18 1HG1 ILE 18 1.211 -11.779 0.260 84 HG21 ILE 18 1HG2 ILE 18 1.516 -13.626 -1.538 85 HG22 ILE 18 2HG2 ILE 18 3.079 -14.143 -0.901 86 HG23 ILE 18 3HG2 ILE 18 2.950 -13.569 -2.563 87 HD11 ILE 18 3HD1 ILE 18 2.447 -13.773 1.072 88 HD12 ILE 18 1HD1 ILE 18 2.272 -12.530 2.310 89 HD13 ILE 18 2HD1 ILE 18 3.815 -12.729 1.476 90 H SER 19 H SER 19 4.227 -9.901 -2.811 91 HA SER 19 HA SER 19 5.981 -11.077 -4.762 92 HB2 SER 19 2HB SER 19 4.187 -10.644 -6.548 93 HB3 SER 19 1HB SER 19 3.930 -12.057 -5.522 94 HG SER 19 HG SER 19 2.691 -10.553 -4.181 95 H GLY 20 H GLY 20 5.946 -9.337 -6.721 96 HA2 GLY 20 2HA GLY 20 6.019 -7.169 -7.399 97 HA3 GLY 20 1HA GLY 20 5.400 -6.659 -5.832 98 H SER 21 H SER 21 6.790 -6.106 -4.246 99 HA SER 21 HA SER 21 9.619 -6.521 -4.601 100 HB2 SER 21 2HB SER 21 9.074 -4.439 -5.893 101 HB3 SER 21 1HB SER 21 8.435 -3.730 -4.412 102 HG SER 21 HG SER 21 11.032 -4.315 -5.178 103 H SER 22 H SER 22 9.993 -7.432 -2.647 104 HA SER 22 HA SER 22 8.653 -6.528 -0.265 105 HB2 SER 22 2HB SER 22 10.960 -8.458 -0.560 106 HB3 SER 22 1HB SER 22 9.815 -8.355 0.777 107 HG SER 22 HG SER 22 8.469 -9.559 -0.299 108 H ASN 23 H ASN 23 9.560 -5.077 1.164 109 HA ASN 23 HA ASN 23 12.355 -4.295 0.835 110 HB2 ASN 23 2HB ASN 23 9.992 -2.401 0.599 111 HB3 ASN 23 1HB ASN 23 11.634 -1.862 0.896 112 HD21 ASN 23 1HD2 ASN 23 9.451 -3.245 -1.442 113 HD22 ASN 23 2HD2 ASN 23 10.454 -3.010 -2.818 114 H THR 24 H THR 24 12.319 -2.125 2.618 115 HA THR 24 HA THR 24 11.456 -3.454 5.064 116 HB THR 24 HB THR 24 13.269 -1.050 4.726 117 HG1 THR 24 1HG THR 24 13.798 -3.844 4.835 118 HG21 THR 24 3HG2 THR 24 12.253 -1.259 6.950 119 HG22 THR 24 1HG2 THR 24 13.981 -1.606 7.020 120 HG23 THR 24 2HG2 THR 24 12.815 -2.929 7.055 121 H LEU 25 H LEU 25 11.627 -0.137 3.752 122 HA LEU 25 HA LEU 25 9.143 0.520 5.189 123 HB2 LEU 25 2HB LEU 25 11.218 2.344 3.984 124 HB3 LEU 25 1HB LEU 25 9.793 2.851 4.862 125 HG LEU 25 HG LEU 25 12.158 1.372 5.997 126 HD11 LEU 25 1HD1 LEU 25 11.186 4.196 6.375 127 HD12 LEU 25 2HD1 LEU 25 12.609 3.699 5.461 128 HD13 LEU 25 3HD1 LEU 25 12.552 3.453 7.206 129 HD21 LEU 25 3HD2 LEU 25 9.650 2.386 7.329 130 HD22 LEU 25 1HD2 LEU 25 11.071 1.765 8.168 131 HD23 LEU 25 2HD2 LEU 25 10.126 0.698 7.133 132 H THR 26 H THR 26 10.767 0.582 2.072 133 HA THR 26 HA THR 26 8.709 2.103 0.866 134 HB THR 26 HB THR 26 10.085 1.668 -1.213 135 HG1 THR 26 1HG THR 26 11.907 0.617 -1.017 136 HG21 THR 26 3HG2 THR 26 11.860 3.209 -0.493 137 HG22 THR 26 1HG2 THR 26 11.426 2.922 1.190 138 HG23 THR 26 2HG2 THR 26 10.283 3.720 0.110 139 H THR 27 H THR 27 8.301 -0.887 1.831 140 HA THR 27 HA THR 27 7.869 -2.524 -0.362 141 HB THR 27 HB THR 27 6.133 -2.535 2.104 142 HG1 THR 27 1HG THR 27 7.793 -3.309 3.249 143 HG21 THR 27 3HG2 THR 27 7.409 -4.726 0.451 144 HG22 THR 27 1HG2 THR 27 5.713 -4.246 0.383 145 HG23 THR 27 2HG2 THR 27 6.361 -4.971 1.851 146 H CYS 28 H CYS 28 5.263 -0.899 1.490 147 HA CYS 28 HA CYS 28 3.725 -0.793 -0.935 148 HB2 CYS 28 2HB CYS 28 2.915 -0.414 1.929 149 HB3 CYS 28 1HB CYS 28 1.859 0.106 0.631 150 H ARG 29 H ARG 29 5.940 1.147 0.326 151 HA ARG 29 HA ARG 29 4.502 3.638 -0.182 152 HB2 ARG 29 2HB ARG 29 6.068 3.241 1.840 153 HB3 ARG 29 1HB ARG 29 7.372 3.452 0.678 154 HG2 ARG 29 2HG ARG 29 6.512 5.668 0.116 155 HG3 ARG 29 1HG ARG 29 5.256 5.484 1.334 156 HD2 ARG 29 2HD ARG 29 6.946 6.728 2.394 157 HD3 ARG 29 1HD ARG 29 7.144 5.073 2.975 158 HE ARG 29 HE ARG 29 8.725 5.606 0.675 159 HH11 ARG 29 1HH1 ARG 29 8.672 5.983 4.204 160 HH12 ARG 29 2HH1 ARG 29 10.354 6.231 4.326 161 HH21 ARG 29 1HH2 ARG 29 11.026 5.924 0.860 162 HH22 ARG 29 2HH2 ARG 29 11.731 6.181 2.385 163 H ASN 30 H ASN 30 5.984 1.521 -2.119 164 HA ASN 30 HA ASN 30 7.207 3.656 -3.698 165 HB2 ASN 30 2HB ASN 30 8.572 2.082 -4.858 166 HB3 ASN 30 1HB ASN 30 8.658 1.599 -3.171 167 HD21 ASN 30 1HD2 ASN 30 7.739 -0.363 -2.586 168 HD22 ASN 30 2HD2 ASN 30 7.213 -1.523 -3.752 169 H SER 31 H SER 31 6.934 3.249 -6.161 170 HA SER 31 HA SER 31 4.147 3.543 -6.508 171 HB2 SER 31 2HB SER 31 6.373 3.678 -8.532 172 HB3 SER 31 1HB SER 31 4.701 4.185 -8.794 173 HG SER 31 HG SER 31 6.057 5.898 -8.233 174 H ARG 32 H ARG 32 5.856 0.679 -6.498 175 HA ARG 32 HA ARG 32 4.329 -0.602 -8.598 176 HB2 ARG 32 2HB ARG 32 5.974 -1.847 -6.373 177 HB3 ARG 32 1HB ARG 32 5.265 -2.717 -7.719 178 HG2 ARG 32 2HG ARG 32 7.405 -0.609 -7.923 179 HG3 ARG 32 1HG ARG 32 7.675 -2.348 -7.977 180 HD2 ARG 32 2HD ARG 32 6.273 -2.477 -9.996 181 HD3 ARG 32 1HD ARG 32 6.068 -0.723 -9.951 182 HE ARG 32 HE ARG 32 8.788 -1.292 -9.905 183 HH11 ARG 32 1HH1 ARG 32 6.093 -1.558 -12.142 184 HH12 ARG 32 2HH1 ARG 32 7.029 -1.405 -13.556 185 HH21 ARG 32 1HH2 ARG 32 10.098 -1.085 -11.803 186 HH22 ARG 32 2HH2 ARG 32 9.368 -1.122 -13.361 187 H CYS 33 H CYS 33 3.615 0.549 -5.598 188 HA CYS 33 HA CYS 33 1.700 -1.547 -5.008 189 HB2 CYS 33 2HB CYS 33 3.048 -0.729 -3.136 190 HB3 CYS 33 1HB CYS 33 2.473 0.907 -3.426 191 HA PRO 34 HA PRO 34 -1.263 0.880 -7.409 192 HB2 PRO 34 2HB PRO 34 -3.434 -0.682 -6.633 193 HB3 PRO 34 1HB PRO 34 -2.396 -0.992 -8.026 194 HG2 PRO 34 2HG PRO 34 -2.347 -2.204 -5.307 195 HG3 PRO 34 1HG PRO 34 -2.031 -2.961 -6.877 196 HD2 PRO 34 2HD PRO 34 -0.072 -2.321 -5.189 197 HD3 PRO 34 1HD PRO 34 0.153 -2.190 -6.943 198 H CYS 35 H CYS 35 -1.767 -0.094 -4.101 199 HA CYS 35 HA CYS 35 -3.923 1.563 -3.359 200 HB2 CYS 35 2HB CYS 35 -1.596 0.631 -1.706 201 HB3 CYS 35 1HB CYS 35 -3.130 1.213 -1.079 202 H TYR 36 H TYR 36 -0.501 1.955 -2.829 203 HA TYR 36 HA TYR 36 -0.343 4.478 -1.754 204 HB2 TYR 36 2HB TYR 36 1.557 3.036 -1.805 205 HB3 TYR 36 1HB TYR 36 1.505 2.928 -3.556 206 HD1 TYR 36 2HD TYR 36 2.364 5.111 -0.716 207 HD2 TYR 36 1HD TYR 36 2.569 4.548 -4.919 208 HE1 TYR 36 2HE TYR 36 3.983 6.942 -0.878 209 HE2 TYR 36 1HE TYR 36 4.168 6.347 -5.119 210 HH TYR 36 HH TYR 36 4.784 8.397 -3.785 211 H LYS 37 H LYS 37 -0.040 3.562 -5.138 212 HA LYS 37 HA LYS 37 0.309 6.154 -6.141 213 HB2 LYS 37 2HB LYS 37 1.028 3.990 -7.182 214 HB3 LYS 37 1HB LYS 37 -0.639 3.677 -7.600 215 HG2 LYS 37 2HG LYS 37 0.833 6.104 -8.550 216 HG3 LYS 37 1HG LYS 37 0.947 4.577 -9.404 217 HD2 LYS 37 2HD LYS 37 -1.634 6.091 -8.883 218 HD3 LYS 37 1HD LYS 37 -0.752 6.107 -10.411 219 HE2 LYS 37 2HE LYS 37 -2.018 3.681 -9.102 220 HE3 LYS 37 1HE LYS 37 -2.648 4.557 -10.491 221 HZ1 LYS 37 3HZ LYS 37 -0.670 3.920 -11.740 222 HZ2 LYS 37 1HZ LYS 37 -1.454 2.548 -11.153 223 HZ3 LYS 37 2HZ LYS 37 -0.054 3.117 -10.413 224 H SER 38 H SER 38 -2.582 4.216 -5.605 225 HA SER 38 HA SER 38 -4.219 6.244 -6.880 226 HB2 SER 38 2HB SER 38 -4.905 3.493 -5.851 227 HB3 SER 38 1HB SER 38 -6.040 4.586 -6.646 228 HG SER 38 HG SER 38 -4.128 2.976 -7.744 229 H TYR 39 H TYR 39 -2.890 6.404 -4.093 230 HA TYR 39 HA TYR 39 -3.327 7.536 -2.170 231 HB2 TYR 39 2HB TYR 39 -5.687 8.461 -3.808 232 HB3 TYR 39 1HB TYR 39 -5.379 9.071 -2.189 233 HD1 TYR 39 1HD TYR 39 -3.923 8.820 -5.602 234 HD2 TYR 39 2HD TYR 39 -3.793 10.756 -1.819 235 HE1 TYR 39 1HE TYR 39 -2.343 10.473 -6.505 236 HE2 TYR 39 2HE TYR 39 -2.222 12.411 -2.712 237 HH TYR 39 HH TYR 39 -1.638 12.782 -5.991 238 H ASN 40 H ASN 40 -4.062 4.845 -2.129 239 HA ASN 40 HA ASN 40 -6.193 5.024 -0.162 240 HB2 ASN 40 2HB ASN 40 -6.039 3.108 -2.418 241 HB3 ASN 40 1HB ASN 40 -6.698 2.557 -0.882 242 HD21 ASN 40 1HD2 ASN 40 -7.197 4.652 -3.610 243 HD22 ASN 40 2HD2 ASN 40 -8.819 5.057 -3.191 244 H SER 41 H SER 41 -6.226 3.669 1.496 245 HA SER 41 HA SER 41 -3.737 2.809 2.519 246 HB2 SER 41 2HB SER 41 -5.311 2.143 4.383 247 HB3 SER 41 1HB SER 41 -5.280 3.862 3.966 248 HG SER 41 HG SER 41 -7.374 2.929 4.229 249 H CYS 42 H CYS 42 -3.531 0.650 3.446 250 HA CYS 42 HA CYS 42 -4.377 -1.301 1.522 251 HB2 CYS 42 2HB CYS 42 -2.204 -1.292 3.591 252 HB3 CYS 42 1HB CYS 42 -2.677 -2.775 2.740 253 H ALA 43 H ALA 43 -6.400 -1.104 2.273 254 HA ALA 43 HA ALA 43 -7.008 -2.725 4.666 255 HB1 ALA 43 1HB ALA 43 -8.893 -1.045 3.003 256 HB2 ALA 43 2HB ALA 43 -8.144 -0.547 4.520 257 HB3 ALA 43 3HB ALA 43 -9.297 -1.883 4.504 258 H GLY 44 H GLY 44 -6.912 -4.853 4.101 259 HA2 GLY 44 2HA GLY 44 -8.149 -6.703 3.261 260 HA3 GLY 44 1HA GLY 44 -8.680 -5.692 1.921 261 H CYS 45 H CYS 45 -5.398 -5.412 2.706 262 HA CYS 45 HA CYS 45 -4.724 -6.679 0.160 263 HB2 CYS 45 2HB CYS 45 -3.032 -4.973 1.985 264 HB3 CYS 45 1HB CYS 45 -2.597 -5.531 0.375 265 H HIS 46 H HIS 46 -2.554 -7.785 0.147 266 HA HIS 46 HA HIS 46 -2.117 -9.318 2.599 267 HB2 HIS 46 2HB HIS 46 -1.991 -10.282 -0.272 268 HB3 HIS 46 1HB HIS 46 -1.166 -11.127 1.026 269 HD1 HIS 46 1HD HIS 46 -2.668 -12.302 2.816 270 HD2 HIS 46 2HD HIS 46 -4.737 -10.717 -0.411 271 HE1 HIS 46 1HE HIS 46 -4.933 -13.340 2.900 272 HE2 HIS 46 2HE HIS 46 -6.231 -12.046 1.213 273 H CYS 47 H CYS 47 -1.016 -6.979 2.301 274 HA CYS 47 HA CYS 47 1.610 -7.325 1.162 275 HB2 CYS 47 2HB CYS 47 1.925 -4.931 1.829 276 HB3 CYS 47 1HB CYS 47 0.645 -5.222 0.668 277 H VAL 48 H VAL 48 3.434 -7.311 2.287 278 HA VAL 48 HA VAL 48 3.195 -7.789 5.183 279 HB VAL 48 HB VAL 48 5.118 -9.149 3.256 280 HG11 VAL 48 1HG1 VAL 48 4.734 -9.554 6.225 281 HG12 VAL 48 2HG1 VAL 48 6.121 -8.791 5.455 282 HG13 VAL 48 3HG1 VAL 48 5.795 -10.503 5.183 283 HG21 VAL 48 3HG2 VAL 48 2.849 -10.011 3.030 284 HG22 VAL 48 1HG2 VAL 48 2.769 -10.279 4.771 285 HG23 VAL 48 2HG2 VAL 48 3.899 -11.211 3.788 286 H GLY 49 H GLY 49 4.160 -6.243 6.249 287 HA2 GLY 49 2HA GLY 49 5.917 -4.854 6.886 288 HA3 GLY 49 1HA GLY 49 6.748 -5.302 5.390 289 H CYS 50 H CYS 50 3.512 -4.088 5.865 290 HA CYS 50 HA CYS 50 3.786 -2.306 3.679 291 HB2 CYS 50 2HB CYS 50 1.728 -3.430 3.859 292 HB3 CYS 50 1HB CYS 50 1.554 -2.990 5.555 293 H LYS 51 H LYS 51 4.953 -0.546 4.081 294 HA LYS 51 HA LYS 51 3.852 1.132 6.179 295 HB2 LYS 51 2HB LYS 51 6.539 1.323 4.739 296 HB3 LYS 51 1HB LYS 51 5.899 2.617 5.716 297 HG2 LYS 51 2HG LYS 51 7.546 1.437 6.998 298 HG3 LYS 51 1HG LYS 51 5.966 1.109 7.696 299 HD2 LYS 51 2HD LYS 51 5.920 -1.064 6.572 300 HD3 LYS 51 1HD LYS 51 7.487 -0.738 5.845 301 HE2 LYS 51 2HE LYS 51 8.514 -0.651 8.063 302 HE3 LYS 51 1HE LYS 51 6.942 -0.927 8.812 303 HZ1 LYS 51 3HZ LYS 51 8.309 -2.831 6.982 304 HZ2 LYS 51 1HZ LYS 51 6.847 -3.096 7.787 305 HZ3 LYS 51 2HZ LYS 51 8.278 -2.978 8.653 306 H ASN 52 H ASN 52 2.103 1.731 5.112 307 HA ASN 52 HA ASN 52 2.470 3.102 2.545 308 HB2 ASN 52 2HB ASN 52 0.885 1.207 2.514 309 HB3 ASN 52 1HB ASN 52 -0.102 1.924 3.751 310 HD21 ASN 52 1HD2 ASN 52 -1.098 1.154 1.329 311 HD22 ASN 52 2HD2 ASN 52 -1.607 2.560 0.456 312 HA PRO 53 HA PRO 53 1.850 6.686 5.194 313 HB2 PRO 53 2HB PRO 53 2.392 8.568 3.338 314 HB3 PRO 53 1HB PRO 53 3.659 7.578 4.076 315 HG2 PRO 53 2HG PRO 53 2.329 7.262 1.415 316 HG3 PRO 53 1HG PRO 53 4.044 7.122 1.827 317 HD2 PRO 53 2HD PRO 53 2.392 4.964 1.523 318 HD3 PRO 53 1HD PRO 53 3.800 4.945 2.602 319 H HIS 54 H HIS 54 -0.023 5.671 2.569 320 HA HIS 54 HA HIS 54 -1.814 7.946 2.717 321 HB2 HIS 54 2HB HIS 54 -1.936 5.459 0.994 322 HB3 HIS 54 1HB HIS 54 -3.176 6.702 0.999 323 HD1 HIS 54 1HD HIS 54 -2.675 8.855 -0.233 324 HD2 HIS 54 2HD HIS 54 0.480 6.179 -0.266 325 HE1 HIS 54 1HE HIS 54 -1.071 9.727 -1.968 326 HE2 HIS 54 2HE HIS 54 0.603 7.912 -2.199 327 H LYS 55 H LYS 55 -2.299 7.690 4.785 328 HA LYS 55 HA LYS 55 -3.837 5.386 5.682 329 HB2 LYS 55 2HB LYS 55 -2.086 7.042 6.948 330 HB3 LYS 55 1HB LYS 55 -3.564 7.936 7.238 331 HG2 LYS 55 2HG LYS 55 -3.015 5.091 8.076 332 HG3 LYS 55 1HG LYS 55 -2.982 6.508 9.119 333 HD2 LYS 55 2HD LYS 55 -5.332 6.862 8.773 334 HD3 LYS 55 1HD LYS 55 -5.392 5.556 7.600 335 HE2 LYS 55 2HE LYS 55 -4.647 3.993 9.412 336 HE3 LYS 55 1HE LYS 55 -4.814 5.328 10.545 337 HZ1 LYS 55 3HZ LYS 55 -7.126 5.456 10.101 338 HZ2 LYS 55 1HZ LYS 55 -6.774 3.836 10.409 339 HZ3 LYS 55 2HZ LYS 55 -7.003 4.360 8.816 340 H GLU 56 H GLU 56 -6.160 5.532 5.692 341 HA GLU 56 HA GLU 56 -7.201 7.478 3.965 342 HB2 GLU 56 2HB GLU 56 -9.490 6.664 4.536 343 HB3 GLU 56 1HB GLU 56 -8.395 5.401 4.013 344 HG2 GLU 56 2HG GLU 56 -8.982 5.939 6.913 345 HG3 GLU 56 1HG GLU 56 -9.977 4.870 5.927 346 H ASP 57 H ASP 57 -7.932 9.343 4.175 347 HA ASP 57 HA ASP 57 -7.601 10.755 6.630 348 HB2 ASP 57 2HB ASP 57 -8.912 11.690 4.062 349 HB3 ASP 57 1HB ASP 57 -8.406 12.725 5.389 350 H TYR 58 H TYR 58 -8.963 10.204 8.177 351 HA TYR 58 HA TYR 58 -11.817 10.419 7.579 352 HB2 TYR 58 2HB TYR 58 -11.172 8.049 7.915 353 HB3 TYR 58 1HB TYR 58 -10.492 8.460 9.480 354 HD1 TYR 58 2HD TYR 58 -13.655 8.256 7.566 355 HD2 TYR 58 1HD TYR 58 -11.859 8.548 11.396 356 HE1 TYR 58 2HE TYR 58 -15.842 7.828 8.618 357 HE2 TYR 58 1HE TYR 58 -14.030 8.122 12.453 358 HH TYR 58 HH TYR 58 -16.698 6.974 10.793 359 H VAL 59 H VAL 59 -11.968 12.476 8.261 360 HA VAL 59 HA VAL 59 -11.128 13.025 10.983 361 HB VAL 59 HB VAL 59 -11.514 15.493 10.338 362 HG11 VAL 59 1HG1 VAL 59 -9.284 14.508 10.554 363 HG12 VAL 59 2HG1 VAL 59 -9.330 15.654 9.213 364 HG13 VAL 59 3HG1 VAL 59 -9.375 13.921 8.894 365 HG21 VAL 59 3HG2 VAL 59 -11.367 16.007 7.924 366 HG22 VAL 59 1HG2 VAL 59 -12.847 15.123 8.306 367 HG23 VAL 59 2HG2 VAL 59 -11.482 14.289 7.558 Start of MODEL 2 1 H1 SER 8 1HT SER 8 -18.945 3.486 -7.222 2 H2 SER 8 2HT SER 8 -18.449 4.873 -8.061 3 H3 SER 8 3HT SER 8 -19.743 4.965 -7.010 4 HA SER 8 HA SER 8 -17.763 5.921 -6.071 5 HB2 SER 8 2HB SER 8 -18.524 3.293 -4.758 6 HB3 SER 8 1HB SER 8 -17.809 4.687 -3.957 7 HG SER 8 HG SER 8 -19.816 5.810 -4.871 8 HA PRO 9 HA PRO 9 -13.949 4.125 -7.475 9 HB2 PRO 9 2HB PRO 9 -12.315 5.195 -5.506 10 HB3 PRO 9 1HB PRO 9 -12.757 6.006 -7.007 11 HG2 PRO 9 2HG PRO 9 -13.857 6.344 -4.270 12 HG3 PRO 9 1HG PRO 9 -13.650 7.534 -5.563 13 HD2 PRO 9 2HD PRO 9 -16.051 6.480 -4.916 14 HD3 PRO 9 1HD PRO 9 -15.637 6.982 -6.568 15 HA PRO 10 HA PRO 10 -13.684 0.607 -4.615 16 HB2 PRO 10 2HB PRO 10 -12.024 -0.555 -6.745 17 HB3 PRO 10 1HB PRO 10 -13.560 -1.137 -6.104 18 HG2 PRO 10 2HG PRO 10 -13.334 -0.105 -8.582 19 HG3 PRO 10 1HG PRO 10 -14.805 0.065 -7.610 20 HD2 PRO 10 2HD PRO 10 -12.627 2.052 -8.114 21 HD3 PRO 10 1HD PRO 10 -14.392 2.276 -8.037 22 H LYS 11 H LYS 11 -11.960 -0.060 -3.297 23 HA LYS 11 HA LYS 11 -9.594 1.550 -3.717 24 HB2 LYS 11 2HB LYS 11 -9.075 1.220 -1.335 25 HB3 LYS 11 1HB LYS 11 -10.621 2.000 -1.587 26 HG2 LYS 11 2HG LYS 11 -11.704 -0.198 -1.153 27 HG3 LYS 11 1HG LYS 11 -10.113 -0.841 -0.758 28 HD2 LYS 11 2HD LYS 11 -11.485 1.458 0.668 29 HD3 LYS 11 1HD LYS 11 -11.395 -0.196 1.257 30 HE2 LYS 11 2HE LYS 11 -9.722 0.934 2.461 31 HE3 LYS 11 1HE LYS 11 -8.838 0.125 1.179 32 HZ1 LYS 11 3HZ LYS 11 -8.081 2.382 1.538 33 HZ2 LYS 11 1HZ LYS 11 -9.590 3.025 1.241 34 HZ3 LYS 11 2HZ LYS 11 -8.752 2.317 -0.017 35 HA PRO 12 HA PRO 12 -7.505 -2.027 -5.279 36 HB2 PRO 12 2HB PRO 12 -5.141 -0.351 -4.649 37 HB3 PRO 12 1HB PRO 12 -5.579 -1.159 -6.156 38 HG2 PRO 12 2HG PRO 12 -5.864 1.458 -5.921 39 HG3 PRO 12 1HG PRO 12 -7.083 0.480 -6.760 40 HD2 PRO 12 2HD PRO 12 -7.174 1.675 -4.026 41 HD3 PRO 12 1HD PRO 12 -8.446 1.520 -5.262 42 H LYS 13 H LYS 13 -6.262 -3.650 -4.578 43 HA LYS 13 HA LYS 13 -5.272 -3.618 -1.827 44 HB2 LYS 13 2HB LYS 13 -6.690 -5.866 -3.280 45 HB3 LYS 13 1HB LYS 13 -6.013 -5.978 -1.661 46 HG2 LYS 13 2HG LYS 13 -7.608 -4.374 -0.824 47 HG3 LYS 13 1HG LYS 13 -8.223 -4.083 -2.447 48 HD2 LYS 13 2HD LYS 13 -8.417 -6.657 -0.884 49 HD3 LYS 13 1HD LYS 13 -9.727 -5.521 -1.203 50 HE2 LYS 13 2HE LYS 13 -9.357 -5.927 -3.657 51 HE3 LYS 13 1HE LYS 13 -8.233 -7.202 -3.199 52 HZ1 LYS 13 3HZ LYS 13 -10.374 -8.114 -3.670 53 HZ2 LYS 13 1HZ LYS 13 -11.113 -7.105 -2.542 54 HZ3 LYS 13 2HZ LYS 13 -10.060 -8.314 -2.033 55 H CYS 14 H CYS 14 -3.422 -5.082 -1.590 56 HA CYS 14 HA CYS 14 -2.156 -5.765 -4.143 57 HB2 CYS 14 2HB CYS 14 -0.083 -4.687 -3.460 58 HB3 CYS 14 1HB CYS 14 -1.399 -3.517 -3.543 59 H ARG 15 H ARG 15 -0.118 -6.952 -3.774 60 HA ARG 15 HA ARG 15 -0.198 -8.677 -1.394 61 HB2 ARG 15 2HB ARG 15 0.500 -9.392 -4.259 62 HB3 ARG 15 1HB ARG 15 0.658 -10.476 -2.887 63 HG2 ARG 15 2HG ARG 15 -1.742 -10.453 -2.554 64 HG3 ARG 15 1HG ARG 15 -1.934 -9.293 -3.868 65 HD2 ARG 15 2HD ARG 15 -2.459 -11.521 -4.658 66 HD3 ARG 15 1HD ARG 15 -0.990 -10.928 -5.431 67 HE ARG 15 HE ARG 15 -0.870 -12.742 -3.115 68 HH11 ARG 15 1HH1 ARG 15 -0.028 -12.037 -6.482 69 HH12 ARG 15 2HH1 ARG 15 0.974 -13.405 -6.665 70 HH21 ARG 15 1HH2 ARG 15 0.465 -14.657 -3.379 71 HH22 ARG 15 2HH2 ARG 15 1.232 -14.942 -4.861 72 H CYS 16 H CYS 16 1.200 -6.182 -1.996 73 HA CYS 16 HA CYS 16 3.870 -6.427 -2.695 74 HB2 CYS 16 2HB CYS 16 2.598 -4.602 -0.654 75 HB3 CYS 16 1HB CYS 16 4.263 -4.451 -1.186 76 H GLY 17 H GLY 17 5.669 -7.177 -1.736 77 HA2 GLY 17 2HA GLY 17 6.942 -7.717 0.217 78 HA3 GLY 17 1HA GLY 17 5.429 -8.178 1.013 79 H ILE 18 H ILE 18 4.196 -9.455 -1.018 80 HA ILE 18 HA ILE 18 5.648 -11.953 -1.222 81 HB ILE 18 HB ILE 18 2.893 -11.212 -2.283 82 HG12 ILE 18 2HG1 ILE 18 3.660 -12.475 0.359 83 HG13 ILE 18 1HG1 ILE 18 2.991 -10.878 0.128 84 HG21 ILE 18 1HG2 ILE 18 2.489 -13.632 -2.303 85 HG22 ILE 18 2HG2 ILE 18 4.133 -13.905 -1.734 86 HG23 ILE 18 3HG2 ILE 18 3.861 -13.204 -3.331 87 HD11 ILE 18 3HD1 ILE 18 0.898 -11.830 -0.692 88 HD12 ILE 18 1HD1 ILE 18 1.288 -12.423 0.924 89 HD13 ILE 18 2HD1 ILE 18 1.554 -13.456 -0.481 90 H SER 19 H SER 19 4.218 -9.411 -3.165 91 HA SER 19 HA SER 19 6.245 -9.656 -5.193 92 HB2 SER 19 2HB SER 19 3.292 -9.929 -5.841 93 HB3 SER 19 1HB SER 19 4.574 -9.717 -7.036 94 HG SER 19 HG SER 19 5.106 -11.711 -5.288 95 H GLY 20 H GLY 20 6.970 -7.617 -5.118 96 HA2 GLY 20 2HA GLY 20 5.387 -5.459 -6.036 97 HA3 GLY 20 1HA GLY 20 5.636 -5.343 -4.297 98 H SER 21 H SER 21 8.015 -5.923 -3.705 99 HA SER 21 HA SER 21 10.084 -5.290 -5.478 100 HB2 SER 21 2HB SER 21 10.787 -3.149 -4.278 101 HB3 SER 21 1HB SER 21 9.354 -2.983 -5.292 102 HG SER 21 HG SER 21 9.419 -2.118 -3.015 103 H SER 22 H SER 22 12.191 -5.363 -4.264 104 HA SER 22 HA SER 22 11.854 -7.087 -1.960 105 HB2 SER 22 2HB SER 22 13.412 -7.797 -3.780 106 HB3 SER 22 1HB SER 22 14.397 -6.369 -3.462 107 HG SER 22 HG SER 22 14.525 -8.730 -2.303 108 H ASN 23 H ASN 23 11.099 -5.486 -0.608 109 HA ASN 23 HA ASN 23 13.119 -3.950 0.730 110 HB2 ASN 23 2HB ASN 23 12.293 -2.521 -1.204 111 HB3 ASN 23 1HB ASN 23 10.685 -2.607 -0.511 112 HD21 ASN 23 1HD2 ASN 23 12.503 -0.368 -1.078 113 HD22 ASN 23 2HD2 ASN 23 12.641 0.512 0.396 114 H THR 24 H THR 24 12.344 -3.487 2.863 115 HA THR 24 HA THR 24 10.028 -5.100 3.569 116 HB THR 24 HB THR 24 11.173 -4.851 5.872 117 HG1 THR 24 1HG THR 24 12.841 -3.599 5.729 118 HG21 THR 24 3HG2 THR 24 12.452 -6.432 3.630 119 HG22 THR 24 1HG2 THR 24 11.062 -6.950 4.586 120 HG23 THR 24 2HG2 THR 24 12.641 -6.760 5.352 121 H LEU 25 H LEU 25 10.953 -1.859 3.268 122 HA LEU 25 HA LEU 25 8.807 -1.116 5.085 123 HB2 LEU 25 2HB LEU 25 9.952 0.968 5.729 124 HB3 LEU 25 1HB LEU 25 10.785 -0.468 6.263 125 HG LEU 25 HG LEU 25 11.672 1.093 3.823 126 HD11 LEU 25 1HD1 LEU 25 13.296 2.170 5.292 127 HD12 LEU 25 2HD1 LEU 25 12.562 1.375 6.686 128 HD13 LEU 25 3HD1 LEU 25 11.645 2.569 5.771 129 HD21 LEU 25 3HD2 LEU 25 12.564 -1.196 4.051 130 HD22 LEU 25 1HD2 LEU 25 13.132 -0.805 5.674 131 HD23 LEU 25 2HD2 LEU 25 13.822 0.018 4.275 132 H THR 26 H THR 26 10.628 -0.015 2.212 133 HA THR 26 HA THR 26 8.597 1.946 1.704 134 HB THR 26 HB THR 26 10.660 1.246 -0.350 135 HG1 THR 26 1HG THR 26 11.180 2.588 2.146 136 HG21 THR 26 3HG2 THR 26 9.103 3.133 -0.697 137 HG22 THR 26 1HG2 THR 26 10.770 3.697 -0.563 138 HG23 THR 26 2HG2 THR 26 9.672 3.872 0.801 139 H THR 27 H THR 27 8.322 -1.166 1.534 140 HA THR 27 HA THR 27 7.887 -2.201 -0.928 141 HB THR 27 HB THR 27 6.185 -2.757 1.474 142 HG1 THR 27 1HG THR 27 8.558 -4.015 1.570 143 HG21 THR 27 3HG2 THR 27 6.488 -5.041 0.793 144 HG22 THR 27 1HG2 THR 27 7.709 -4.578 -0.409 145 HG23 THR 27 2HG2 THR 27 6.034 -4.104 -0.633 146 H CYS 28 H CYS 28 5.314 -1.039 1.251 147 HA CYS 28 HA CYS 28 3.585 -0.629 -1.020 148 HB2 CYS 28 2HB CYS 28 3.053 -0.598 1.930 149 HB3 CYS 28 1HB CYS 28 1.828 -0.070 0.783 150 H ARG 29 H ARG 29 5.830 1.136 0.349 151 HA ARG 29 HA ARG 29 4.426 3.703 0.395 152 HB2 ARG 29 2HB ARG 29 6.041 2.892 2.198 153 HB3 ARG 29 1HB ARG 29 7.302 3.134 1.000 154 HG2 ARG 29 2HG ARG 29 6.824 5.509 0.937 155 HG3 ARG 29 1HG ARG 29 5.503 5.290 2.090 156 HD2 ARG 29 2HD ARG 29 7.155 4.345 3.698 157 HD3 ARG 29 1HD ARG 29 8.434 4.765 2.562 158 HE ARG 29 HE ARG 29 6.872 7.033 3.117 159 HH11 ARG 29 1HH1 ARG 29 9.403 5.017 4.518 160 HH12 ARG 29 2HH1 ARG 29 9.883 6.133 5.698 161 HH21 ARG 29 1HH2 ARG 29 7.524 8.624 4.729 162 HH22 ARG 29 2HH2 ARG 29 8.745 8.233 5.838 163 H ASN 30 H ASN 30 5.616 1.915 -2.009 164 HA ASN 30 HA ASN 30 6.737 4.258 -3.355 165 HB2 ASN 30 2HB ASN 30 8.381 2.961 -4.540 166 HB3 ASN 30 1HB ASN 30 8.410 2.349 -2.912 167 HD21 ASN 30 1HD2 ASN 30 7.799 0.291 -2.510 168 HD22 ASN 30 2HD2 ASN 30 7.424 -0.861 -3.742 169 H SER 31 H SER 31 6.545 3.907 -5.886 170 HA SER 31 HA SER 31 3.733 4.007 -6.202 171 HB2 SER 31 2HB SER 31 5.919 4.409 -8.226 172 HB3 SER 31 1HB SER 31 4.225 4.871 -8.408 173 HG SER 31 HG SER 31 4.962 6.677 -7.598 174 H ARG 32 H ARG 32 5.673 1.309 -6.348 175 HA ARG 32 HA ARG 32 4.311 0.109 -8.601 176 HB2 ARG 32 2HB ARG 32 6.148 -1.169 -6.559 177 HB3 ARG 32 1HB ARG 32 5.579 -1.930 -8.041 178 HG2 ARG 32 2HG ARG 32 6.718 -0.280 -9.374 179 HG3 ARG 32 1HG ARG 32 7.219 0.579 -7.922 180 HD2 ARG 32 2HD ARG 32 8.478 -1.478 -7.252 181 HD3 ARG 32 1HD ARG 32 8.095 -2.153 -8.844 182 HE ARG 32 HE ARG 32 9.152 0.440 -9.039 183 HH11 ARG 32 1HH1 ARG 32 10.206 -2.926 -8.639 184 HH12 ARG 32 2HH1 ARG 32 11.789 -2.616 -9.166 185 HH21 ARG 32 1HH2 ARG 32 11.296 0.830 -9.778 186 HH22 ARG 32 2HH2 ARG 32 12.430 -0.463 -9.827 187 H CYS 33 H CYS 33 3.686 0.668 -5.383 188 HA CYS 33 HA CYS 33 1.915 -1.569 -5.007 189 HB2 CYS 33 2HB CYS 33 3.102 -0.645 -3.074 190 HB3 CYS 33 1HB CYS 33 2.386 0.933 -3.360 191 HA PRO 34 HA PRO 34 -1.122 0.579 -7.528 192 HB2 PRO 34 2HB PRO 34 -3.222 -1.117 -6.928 193 HB3 PRO 34 1HB PRO 34 -2.025 -1.418 -8.191 194 HG2 PRO 34 2HG PRO 34 -2.154 -2.490 -5.406 195 HG3 PRO 34 1HG PRO 34 -1.685 -3.313 -6.901 196 HD2 PRO 34 2HD PRO 34 0.128 -2.477 -5.130 197 HD3 PRO 34 1HD PRO 34 0.452 -2.411 -6.876 198 H CYS 35 H CYS 35 -1.533 -0.251 -4.220 199 HA CYS 35 HA CYS 35 -3.871 1.255 -3.634 200 HB2 CYS 35 2HB CYS 35 -1.579 0.531 -1.815 201 HB3 CYS 35 1HB CYS 35 -3.189 1.028 -1.307 202 H TYR 36 H TYR 36 -0.489 1.873 -2.842 203 HA TYR 36 HA TYR 36 -0.635 4.494 -1.994 204 HB2 TYR 36 2HB TYR 36 1.346 3.159 -1.659 205 HB3 TYR 36 1HB TYR 36 1.564 2.969 -3.386 206 HD1 TYR 36 2HD TYR 36 2.426 4.829 -4.740 207 HD2 TYR 36 1HD TYR 36 2.133 5.144 -0.513 208 HE1 TYR 36 2HE TYR 36 3.930 6.713 -4.822 209 HE2 TYR 36 1HE TYR 36 3.669 7.062 -0.544 210 HH TYR 36 HH TYR 36 4.435 8.693 -3.393 211 H LYS 37 H LYS 37 -0.086 3.207 -5.221 212 HA LYS 37 HA LYS 37 0.394 5.679 -6.468 213 HB2 LYS 37 2HB LYS 37 0.929 3.256 -7.225 214 HB3 LYS 37 1HB LYS 37 -0.692 3.284 -7.900 215 HG2 LYS 37 2HG LYS 37 -0.043 5.317 -9.188 216 HG3 LYS 37 1HG LYS 37 1.594 5.085 -8.559 217 HD2 LYS 37 2HD LYS 37 1.696 2.873 -9.592 218 HD3 LYS 37 1HD LYS 37 0.063 3.073 -10.217 219 HE2 LYS 37 2HE LYS 37 1.542 3.557 -12.011 220 HE3 LYS 37 1HE LYS 37 0.909 5.099 -11.454 221 HZ1 LYS 37 3HZ LYS 37 3.255 5.235 -11.847 222 HZ2 LYS 37 1HZ LYS 37 3.550 3.949 -10.805 223 HZ3 LYS 37 2HZ LYS 37 2.968 5.435 -10.203 224 H SER 38 H SER 38 -2.538 4.003 -5.628 225 HA SER 38 HA SER 38 -4.151 5.879 -7.205 226 HB2 SER 38 2HB SER 38 -4.988 3.388 -5.712 227 HB3 SER 38 1HB SER 38 -6.027 4.369 -6.741 228 HG SER 38 HG SER 38 -3.882 2.699 -7.418 229 H TYR 39 H TYR 39 -2.655 6.162 -4.496 230 HA TYR 39 HA TYR 39 -2.831 7.445 -2.651 231 HB2 TYR 39 2HB TYR 39 -5.479 8.326 -3.832 232 HB3 TYR 39 1HB TYR 39 -4.658 9.117 -2.491 233 HD1 TYR 39 1HD TYR 39 -4.675 8.549 -6.107 234 HD2 TYR 39 2HD TYR 39 -2.679 10.487 -2.894 235 HE1 TYR 39 1HE TYR 39 -3.457 9.942 -7.714 236 HE2 TYR 39 2HE TYR 39 -1.461 11.892 -4.499 237 HH TYR 39 HH TYR 39 -2.370 12.103 -7.720 238 H ASN 40 H ASN 40 -3.982 4.726 -2.755 239 HA ASN 40 HA ASN 40 -6.010 4.933 -0.667 240 HB2 ASN 40 2HB ASN 40 -5.533 2.912 -2.783 241 HB3 ASN 40 1HB ASN 40 -6.231 2.376 -1.257 242 HD21 ASN 40 1HD2 ASN 40 -6.702 4.367 -4.078 243 HD22 ASN 40 2HD2 ASN 40 -8.384 4.585 -3.871 244 H SER 41 H SER 41 -6.078 3.289 0.919 245 HA SER 41 HA SER 41 -3.540 2.870 2.197 246 HB2 SER 41 2HB SER 41 -5.103 2.178 4.006 247 HB3 SER 41 1HB SER 41 -5.303 3.845 3.455 248 HG SER 41 HG SER 41 -7.143 2.238 3.726 249 H CYS 42 H CYS 42 -3.355 0.756 3.337 250 HA CYS 42 HA CYS 42 -4.128 -1.357 1.528 251 HB2 CYS 42 2HB CYS 42 -1.843 -1.170 3.464 252 HB3 CYS 42 1HB CYS 42 -2.326 -2.696 2.713 253 H ALA 43 H ALA 43 -6.163 -1.089 2.472 254 HA ALA 43 HA ALA 43 -6.460 -2.724 4.900 255 HB1 ALA 43 1HB ALA 43 -8.400 -0.759 3.662 256 HB2 ALA 43 2HB ALA 43 -7.473 -0.520 5.148 257 HB3 ALA 43 3HB ALA 43 -8.728 -1.753 5.080 258 H GLY 44 H GLY 44 -6.917 -4.741 4.425 259 HA2 GLY 44 2HA GLY 44 -8.251 -6.431 3.463 260 HA3 GLY 44 1HA GLY 44 -8.696 -5.313 2.168 261 H CYS 45 H CYS 45 -5.467 -5.238 2.991 262 HA CYS 45 HA CYS 45 -4.757 -6.601 0.505 263 HB2 CYS 45 2HB CYS 45 -3.119 -4.849 2.331 264 HB3 CYS 45 1HB CYS 45 -2.548 -5.566 0.832 265 H HIS 46 H HIS 46 -2.765 -7.912 0.593 266 HA HIS 46 HA HIS 46 -2.527 -9.260 3.178 267 HB2 HIS 46 2HB HIS 46 -2.415 -10.519 0.423 268 HB3 HIS 46 1HB HIS 46 -2.031 -11.365 1.920 269 HD1 HIS 46 1HD HIS 46 -4.051 -11.872 3.543 270 HD2 HIS 46 2HD HIS 46 -5.118 -10.207 -0.100 271 HE1 HIS 46 1HE HIS 46 -6.534 -12.130 3.379 272 HE2 HIS 46 2HE HIS 46 -7.169 -10.966 1.261 273 H CYS 47 H CYS 47 -1.209 -7.041 2.110 274 HA CYS 47 HA CYS 47 1.339 -7.731 1.116 275 HB2 CYS 47 2HB CYS 47 1.858 -5.300 1.579 276 HB3 CYS 47 1HB CYS 47 0.524 -5.602 0.480 277 H VAL 48 H VAL 48 3.281 -7.679 2.072 278 HA VAL 48 HA VAL 48 3.333 -8.015 4.995 279 HB VAL 48 HB VAL 48 5.169 -9.237 2.899 280 HG11 VAL 48 1HG1 VAL 48 6.322 -8.858 5.002 281 HG12 VAL 48 2HG1 VAL 48 6.079 -10.582 4.716 282 HG13 VAL 48 3HG1 VAL 48 5.055 -9.731 5.868 283 HG21 VAL 48 3HG2 VAL 48 2.958 -10.257 2.808 284 HG22 VAL 48 1HG2 VAL 48 3.015 -10.561 4.545 285 HG23 VAL 48 2HG2 VAL 48 4.141 -11.388 3.463 286 H GLY 49 H GLY 49 4.570 -6.548 6.028 287 HA2 GLY 49 2HA GLY 49 6.254 -4.977 6.409 288 HA3 GLY 49 1HA GLY 49 6.927 -5.382 4.827 289 H CYS 50 H CYS 50 3.768 -4.162 5.851 290 HA CYS 50 HA CYS 50 3.862 -2.400 3.600 291 HB2 CYS 50 2HB CYS 50 1.866 -3.628 3.749 292 HB3 CYS 50 1HB CYS 50 1.664 -3.238 5.455 293 H LYS 51 H LYS 51 4.913 -0.562 4.060 294 HA LYS 51 HA LYS 51 3.796 0.964 6.293 295 HB2 LYS 51 2HB LYS 51 6.352 1.440 4.722 296 HB3 LYS 51 1HB LYS 51 5.758 2.476 6.001 297 HG2 LYS 51 2HG LYS 51 6.400 -0.403 6.506 298 HG3 LYS 51 1HG LYS 51 7.664 0.813 6.470 299 HD2 LYS 51 2HD LYS 51 6.972 0.323 8.770 300 HD3 LYS 51 1HD LYS 51 6.599 1.983 8.354 301 HE2 LYS 51 2HE LYS 51 4.441 -0.034 8.001 302 HE3 LYS 51 1HE LYS 51 4.905 0.358 9.647 303 HZ1 LYS 51 3HZ LYS 51 3.078 1.732 8.858 304 HZ2 LYS 51 1HZ LYS 51 4.010 2.389 7.624 305 HZ3 LYS 51 2HZ LYS 51 4.403 2.664 9.235 306 H ASN 52 H ASN 52 1.972 1.559 5.276 307 HA ASN 52 HA ASN 52 2.316 3.056 2.793 308 HB2 ASN 52 2HB ASN 52 0.671 1.170 2.782 309 HB3 ASN 52 1HB ASN 52 -0.262 1.980 4.021 310 HD21 ASN 52 1HD2 ASN 52 -1.160 1.212 1.436 311 HD22 ASN 52 2HD2 ASN 52 -1.641 2.654 0.602 312 HA PRO 53 HA PRO 53 1.998 6.682 5.457 313 HB2 PRO 53 2HB PRO 53 1.668 7.987 2.811 314 HB3 PRO 53 1HB PRO 53 2.817 8.352 4.104 315 HG2 PRO 53 2HG PRO 53 3.595 7.132 1.868 316 HG3 PRO 53 1HG PRO 53 4.280 6.691 3.438 317 HD2 PRO 53 2HD PRO 53 2.249 5.252 1.786 318 HD3 PRO 53 1HD PRO 53 3.563 4.612 2.802 319 H HIS 54 H HIS 54 -0.248 5.590 3.059 320 HA HIS 54 HA HIS 54 -2.221 7.622 3.700 321 HB2 HIS 54 2HB HIS 54 -2.471 5.205 1.886 322 HB3 HIS 54 1HB HIS 54 -3.682 6.463 2.076 323 HD1 HIS 54 1HD HIS 54 -3.351 8.600 0.718 324 HD2 HIS 54 2HD HIS 54 -0.188 5.942 0.438 325 HE1 HIS 54 1HE HIS 54 -1.929 9.451 -1.156 326 HE2 HIS 54 2HE HIS 54 0.122 8.072 -1.000 327 H LYS 55 H LYS 55 -2.674 7.238 5.770 328 HA LYS 55 HA LYS 55 -3.759 4.627 6.449 329 HB2 LYS 55 2HB LYS 55 -2.108 5.724 7.998 330 HB3 LYS 55 1HB LYS 55 -3.214 7.052 8.219 331 HG2 LYS 55 2HG LYS 55 -3.931 4.222 9.005 332 HG3 LYS 55 1HG LYS 55 -3.027 5.281 10.076 333 HD2 LYS 55 2HD LYS 55 -5.798 5.805 8.982 334 HD3 LYS 55 1HD LYS 55 -5.423 5.266 10.620 335 HE2 LYS 55 2HE LYS 55 -4.139 7.353 10.971 336 HE3 LYS 55 1HE LYS 55 -4.596 7.876 9.350 337 HZ1 LYS 55 3HZ LYS 55 -6.377 7.501 11.692 338 HZ2 LYS 55 1HZ LYS 55 -6.939 7.679 10.097 339 HZ3 LYS 55 2HZ LYS 55 -6.050 8.902 10.804 340 H GLU 56 H GLU 56 -5.564 4.658 5.285 341 HA GLU 56 HA GLU 56 -7.408 6.911 5.472 342 HB2 GLU 56 2HB GLU 56 -6.828 5.977 3.260 343 HB3 GLU 56 1HB GLU 56 -7.494 4.435 3.756 344 HG2 GLU 56 2HG GLU 56 -9.698 5.556 4.015 345 HG3 GLU 56 1HG GLU 56 -8.967 7.011 3.329 346 H ASP 57 H ASP 57 -8.048 6.567 7.537 347 HA ASP 57 HA ASP 57 -10.271 4.888 8.028 348 HB2 ASP 57 2HB ASP 57 -8.308 3.244 8.245 349 HB3 ASP 57 1HB ASP 57 -7.736 4.351 9.497 350 H TYR 58 H TYR 58 -11.298 6.355 9.208 351 HA TYR 58 HA TYR 58 -9.695 8.434 10.335 352 HB2 TYR 58 2HB TYR 58 -11.912 9.624 10.864 353 HB3 TYR 58 1HB TYR 58 -11.426 9.457 9.188 354 HD1 TYR 58 2HD TYR 58 -13.827 8.370 11.753 355 HD2 TYR 58 1HD TYR 58 -12.685 8.078 7.667 356 HE1 TYR 58 2HE TYR 58 -16.009 7.367 11.218 357 HE2 TYR 58 1HE TYR 58 -14.859 7.084 7.123 358 HH TYR 58 HH TYR 58 -17.467 7.108 9.279 359 H VAL 59 H VAL 59 -8.763 7.073 11.719 360 HA VAL 59 HA VAL 59 -9.849 7.387 14.394 361 HB VAL 59 HB VAL 59 -8.119 5.060 13.430 362 HG11 VAL 59 1HG1 VAL 59 -8.466 4.136 15.679 363 HG12 VAL 59 2HG1 VAL 59 -9.352 5.591 16.131 364 HG13 VAL 59 3HG1 VAL 59 -7.640 5.694 15.722 365 HG21 VAL 59 3HG2 VAL 59 -10.042 3.597 13.900 366 HG22 VAL 59 1HG2 VAL 59 -10.417 4.766 12.632 367 HG23 VAL 59 2HG2 VAL 59 -11.026 5.006 14.272 Start of MODEL 3 1 H1 SER 8 1HT SER 8 -15.381 8.740 -0.799 2 H2 SER 8 2HT SER 8 -15.996 7.164 -0.739 3 H3 SER 8 3HT SER 8 -15.933 7.988 -2.217 4 HA SER 8 HA SER 8 -13.573 8.010 -2.120 5 HB2 SER 8 2HB SER 8 -14.024 6.380 0.394 6 HB3 SER 8 1HB SER 8 -12.453 6.763 -0.323 7 HG SER 8 HG SER 8 -13.414 8.201 1.477 8 HA PRO 9 HA PRO 9 -14.275 4.337 -4.496 9 HB2 PRO 9 2HB PRO 9 -11.785 3.750 -5.339 10 HB3 PRO 9 1HB PRO 9 -12.625 5.204 -5.893 11 HG2 PRO 9 2HG PRO 9 -10.557 4.922 -3.745 12 HG3 PRO 9 1HG PRO 9 -10.673 6.139 -5.031 13 HD2 PRO 9 2HD PRO 9 -11.499 6.597 -2.481 14 HD3 PRO 9 1HD PRO 9 -12.245 7.372 -3.887 15 HA PRO 10 HA PRO 10 -13.466 0.621 -2.097 16 HB2 PRO 10 2HB PRO 10 -12.704 -0.733 -4.629 17 HB3 PRO 10 1HB PRO 10 -13.961 -1.168 -3.465 18 HG2 PRO 10 2HG PRO 10 -14.602 -0.110 -5.824 19 HG3 PRO 10 1HG PRO 10 -15.485 0.342 -4.352 20 HD2 PRO 10 2HD PRO 10 -13.356 1.845 -5.820 21 HD3 PRO 10 1HD PRO 10 -14.859 2.435 -5.076 22 H LYS 11 H LYS 11 -11.745 -0.596 -1.327 23 HA LYS 11 HA LYS 11 -9.180 0.623 -1.588 24 HB2 LYS 11 2HB LYS 11 -9.945 -1.909 -0.155 25 HB3 LYS 11 1HB LYS 11 -8.477 -0.980 0.081 26 HG2 LYS 11 2HG LYS 11 -11.235 0.072 0.622 27 HG3 LYS 11 1HG LYS 11 -10.202 -0.653 1.849 28 HD2 LYS 11 2HD LYS 11 -8.542 1.105 1.451 29 HD3 LYS 11 1HD LYS 11 -9.582 1.796 0.199 30 HE2 LYS 11 2HE LYS 11 -11.314 2.214 1.824 31 HE3 LYS 11 1HE LYS 11 -10.354 1.439 3.082 32 HZ1 LYS 11 3HZ LYS 11 -9.598 3.906 1.623 33 HZ2 LYS 11 1HZ LYS 11 -8.703 3.158 2.840 34 HZ3 LYS 11 2HZ LYS 11 -10.215 3.845 3.171 35 HA PRO 12 HA PRO 12 -7.714 -2.308 -4.736 36 HB2 PRO 12 2HB PRO 12 -5.171 -0.887 -4.371 37 HB3 PRO 12 1HB PRO 12 -6.146 -1.042 -5.833 38 HG2 PRO 12 2HG PRO 12 -5.898 1.302 -4.495 39 HG3 PRO 12 1HG PRO 12 -7.372 0.856 -5.371 40 HD2 PRO 12 2HD PRO 12 -6.811 0.730 -2.427 41 HD3 PRO 12 1HD PRO 12 -8.288 1.221 -3.295 42 H LYS 13 H LYS 13 -6.424 -4.124 -4.435 43 HA LYS 13 HA LYS 13 -5.330 -4.358 -1.718 44 HB2 LYS 13 2HB LYS 13 -6.212 -6.679 -3.467 45 HB3 LYS 13 1HB LYS 13 -5.843 -6.667 -1.742 46 HG2 LYS 13 2HG LYS 13 -8.202 -5.266 -2.990 47 HG3 LYS 13 1HG LYS 13 -8.263 -6.834 -2.192 48 HD2 LYS 13 2HD LYS 13 -7.574 -5.828 -0.093 49 HD3 LYS 13 1HD LYS 13 -7.364 -4.267 -0.884 50 HE2 LYS 13 2HE LYS 13 -9.453 -4.379 0.379 51 HE3 LYS 13 1HE LYS 13 -9.740 -4.145 -1.340 52 HZ1 LYS 13 3HZ LYS 13 -9.988 -6.729 0.118 53 HZ2 LYS 13 1HZ LYS 13 -10.280 -6.516 -1.518 54 HZ3 LYS 13 2HZ LYS 13 -11.256 -5.760 -0.371 55 H CYS 14 H CYS 14 -3.241 -4.884 -1.510 56 HA CYS 14 HA CYS 14 -1.801 -5.521 -3.975 57 HB2 CYS 14 2HB CYS 14 0.136 -4.251 -3.046 58 HB3 CYS 14 1HB CYS 14 -1.266 -3.255 -3.398 59 H ARG 15 H ARG 15 0.276 -6.588 -3.614 60 HA ARG 15 HA ARG 15 0.194 -8.476 -1.354 61 HB2 ARG 15 2HB ARG 15 0.737 -9.040 -4.282 62 HB3 ARG 15 1HB ARG 15 0.974 -10.207 -2.989 63 HG2 ARG 15 2HG ARG 15 -1.378 -10.196 -2.483 64 HG3 ARG 15 1HG ARG 15 -1.661 -8.914 -3.660 65 HD2 ARG 15 2HD ARG 15 -0.973 -10.401 -5.447 66 HD3 ARG 15 1HD ARG 15 -0.646 -11.686 -4.284 67 HE ARG 15 HE ARG 15 -3.285 -10.742 -4.007 68 HH11 ARG 15 1HH1 ARG 15 -1.311 -12.673 -6.203 69 HH12 ARG 15 2HH1 ARG 15 -2.588 -13.675 -6.711 70 HH21 ARG 15 1HH2 ARG 15 -5.064 -12.103 -4.716 71 HH22 ARG 15 2HH2 ARG 15 -4.782 -13.303 -5.888 72 H CYS 16 H CYS 16 1.579 -6.062 -1.654 73 HA CYS 16 HA CYS 16 4.194 -6.153 -2.565 74 HB2 CYS 16 2HB CYS 16 3.125 -4.612 -0.196 75 HB3 CYS 16 1HB CYS 16 4.618 -4.284 -1.066 76 H GLY 17 H GLY 17 5.936 -7.114 -1.889 77 HA2 GLY 17 2HA GLY 17 7.481 -7.593 -0.082 78 HA3 GLY 17 1HA GLY 17 6.091 -7.987 0.915 79 H ILE 18 H ILE 18 4.743 -9.492 -1.137 80 HA ILE 18 HA ILE 18 6.219 -11.945 -0.704 81 HB ILE 18 HB ILE 18 3.488 -11.605 -1.979 82 HG12 ILE 18 2HG1 ILE 18 4.283 -12.173 0.886 83 HG13 ILE 18 1HG1 ILE 18 3.529 -10.713 0.289 84 HG21 ILE 18 1HG2 ILE 18 3.222 -13.999 -1.420 85 HG22 ILE 18 2HG2 ILE 18 4.867 -14.034 -0.799 86 HG23 ILE 18 3HG2 ILE 18 4.582 -13.747 -2.516 87 HD11 ILE 18 3HD1 ILE 18 2.263 -13.437 0.290 88 HD12 ILE 18 1HD1 ILE 18 1.515 -11.943 -0.276 89 HD13 ILE 18 2HD1 ILE 18 1.929 -12.133 1.430 90 H SER 19 H SER 19 4.696 -10.321 -3.445 91 HA SER 19 HA SER 19 6.797 -11.402 -5.166 92 HB2 SER 19 2HB SER 19 5.005 -11.831 -6.904 93 HB3 SER 19 1HB SER 19 4.941 -12.890 -5.491 94 HG SER 19 HG SER 19 2.981 -12.245 -5.304 95 H GLY 20 H GLY 20 4.053 -9.173 -4.902 96 HA2 GLY 20 2HA GLY 20 5.051 -7.424 -6.939 97 HA3 GLY 20 1HA GLY 20 3.679 -7.133 -5.871 98 H SER 21 H SER 21 6.003 -5.483 -6.676 99 HA SER 21 HA SER 21 7.300 -3.890 -5.843 100 HB2 SER 21 2HB SER 21 6.046 -4.555 -3.170 101 HB3 SER 21 1HB SER 21 7.031 -3.128 -3.505 102 HG SER 21 HG SER 21 4.728 -3.792 -4.981 103 H SER 22 H SER 22 9.359 -4.043 -5.836 104 HA SER 22 HA SER 22 10.683 -6.339 -4.770 105 HB2 SER 22 2HB SER 22 11.791 -3.844 -6.057 106 HB3 SER 22 1HB SER 22 12.623 -5.394 -5.864 107 HG SER 22 HG SER 22 10.374 -5.979 -6.981 108 H ASN 23 H ASN 23 10.172 -2.988 -3.963 109 HA ASN 23 HA ASN 23 12.021 -2.846 -1.827 110 HB2 ASN 23 2HB ASN 23 9.463 -1.318 -2.328 111 HB3 ASN 23 1HB ASN 23 10.516 -1.038 -0.952 112 HD21 ASN 23 1HD2 ASN 23 12.504 -0.023 -1.292 113 HD22 ASN 23 2HD2 ASN 23 12.868 0.806 -2.757 114 H THR 24 H THR 24 11.959 -4.186 -0.194 115 HA THR 24 HA THR 24 9.445 -5.455 0.489 116 HB THR 24 HB THR 24 12.152 -6.047 1.675 117 HG1 THR 24 1HG THR 24 11.447 -6.094 -0.894 118 HG21 THR 24 3HG2 THR 24 9.723 -7.767 1.069 119 HG22 THR 24 1HG2 THR 24 10.171 -7.170 2.668 120 HG23 THR 24 2HG2 THR 24 11.209 -8.328 1.833 121 H LEU 25 H LEU 25 11.432 -2.927 1.593 122 HA LEU 25 HA LEU 25 10.081 -2.895 4.202 123 HB2 LEU 25 2HB LEU 25 12.468 -1.299 3.257 124 HB3 LEU 25 1HB LEU 25 11.790 -1.272 4.872 125 HG LEU 25 HG LEU 25 13.114 -3.654 3.573 126 HD11 LEU 25 1HD1 LEU 25 14.702 -1.897 4.113 127 HD12 LEU 25 2HD1 LEU 25 14.898 -3.287 5.179 128 HD13 LEU 25 3HD1 LEU 25 14.084 -1.835 5.764 129 HD21 LEU 25 3HD2 LEU 25 12.975 -4.669 5.810 130 HD22 LEU 25 1HD2 LEU 25 11.376 -4.343 5.140 131 HD23 LEU 25 2HD2 LEU 25 12.046 -3.280 6.375 132 H THR 26 H THR 26 10.670 -1.126 1.269 133 HA THR 26 HA THR 26 8.887 1.061 2.055 134 HB THR 26 HB THR 26 10.395 0.801 -0.563 135 HG1 THR 26 1HG THR 26 11.369 1.566 1.993 136 HG21 THR 26 3HG2 THR 26 10.527 3.254 -0.310 137 HG22 THR 26 1HG2 THR 26 9.615 3.130 1.191 138 HG23 THR 26 2HG2 THR 26 8.857 2.678 -0.335 139 H THR 27 H THR 27 7.848 -1.540 1.712 140 HA THR 27 HA THR 27 7.070 -2.622 -0.633 141 HB THR 27 HB THR 27 4.990 -3.172 0.871 142 HG1 THR 27 1HG THR 27 6.202 -2.969 3.137 143 HG21 THR 27 3HG2 THR 27 6.774 -4.774 0.276 144 HG22 THR 27 1HG2 THR 27 6.319 -4.927 1.973 145 HG23 THR 27 2HG2 THR 27 7.800 -4.079 1.534 146 H CYS 28 H CYS 28 4.950 -0.696 1.337 147 HA CYS 28 HA CYS 28 3.293 -0.245 -0.956 148 HB2 CYS 28 2HB CYS 28 2.750 0.234 1.943 149 HB3 CYS 28 1HB CYS 28 1.616 0.597 0.643 150 H ARG 29 H ARG 29 5.799 1.355 0.181 151 HA ARG 29 HA ARG 29 4.587 3.973 -0.381 152 HB2 ARG 29 2HB ARG 29 5.701 3.525 1.893 153 HB3 ARG 29 1HB ARG 29 7.227 3.582 1.023 154 HG2 ARG 29 2HG ARG 29 6.781 5.865 0.325 155 HG3 ARG 29 1HG ARG 29 5.196 5.795 1.067 156 HD2 ARG 29 2HD ARG 29 6.240 5.460 3.268 157 HD3 ARG 29 1HD ARG 29 7.832 5.610 2.523 158 HE ARG 29 HE ARG 29 6.597 7.873 1.752 159 HH11 ARG 29 1HH1 ARG 29 7.142 6.424 4.930 160 HH12 ARG 29 2HH1 ARG 29 7.074 7.895 5.771 161 HH21 ARG 29 1HH2 ARG 29 6.500 9.887 2.896 162 HH22 ARG 29 2HH2 ARG 29 6.684 9.916 4.595 163 H ASN 30 H ASN 30 5.505 2.045 -2.372 164 HA ASN 30 HA ASN 30 7.332 3.872 -3.712 165 HB2 ASN 30 2HB ASN 30 8.627 2.134 -4.742 166 HB3 ASN 30 1HB ASN 30 8.580 1.758 -3.024 167 HD21 ASN 30 1HD2 ASN 30 7.432 -0.041 -2.360 168 HD22 ASN 30 2HD2 ASN 30 6.860 -1.234 -3.462 169 H SER 31 H SER 31 7.312 3.414 -6.149 170 HA SER 31 HA SER 31 4.782 4.163 -6.975 171 HB2 SER 31 2HB SER 31 7.131 3.273 -8.626 172 HB3 SER 31 1HB SER 31 5.793 4.306 -9.143 173 HG SER 31 HG SER 31 6.419 5.833 -7.671 174 H ARG 32 H ARG 32 5.968 0.937 -6.577 175 HA ARG 32 HA ARG 32 4.312 -0.073 -8.741 176 HB2 ARG 32 2HB ARG 32 6.008 -1.620 -6.779 177 HB3 ARG 32 1HB ARG 32 5.226 -2.265 -8.212 178 HG2 ARG 32 2HG ARG 32 7.426 -0.216 -8.180 179 HG3 ARG 32 1HG ARG 32 7.624 -1.927 -8.536 180 HD2 ARG 32 2HD ARG 32 6.207 -1.684 -10.520 181 HD3 ARG 32 1HD ARG 32 5.968 0.024 -10.141 182 HE ARG 32 HE ARG 32 8.705 -0.509 -10.264 183 HH11 ARG 32 1HH1 ARG 32 5.974 -0.386 -12.541 184 HH12 ARG 32 2HH1 ARG 32 6.908 0.144 -13.851 185 HH21 ARG 32 1HH2 ARG 32 9.986 0.194 -12.110 186 HH22 ARG 32 2HH2 ARG 32 9.236 0.450 -13.613 187 H CYS 33 H CYS 33 3.664 0.893 -5.673 188 HA CYS 33 HA CYS 33 1.891 -1.328 -5.094 189 HB2 CYS 33 2HB CYS 33 3.159 -0.442 -3.209 190 HB3 CYS 33 1HB CYS 33 2.484 1.161 -3.471 191 HA PRO 34 HA PRO 34 -1.373 0.743 -7.328 192 HB2 PRO 34 2HB PRO 34 -3.408 -0.925 -6.460 193 HB3 PRO 34 1HB PRO 34 -2.348 -1.265 -7.831 194 HG2 PRO 34 2HG PRO 34 -2.211 -2.267 -5.029 195 HG3 PRO 34 1HG PRO 34 -1.868 -3.124 -6.542 196 HD2 PRO 34 2HD PRO 34 0.081 -2.213 -4.926 197 HD3 PRO 34 1HD PRO 34 0.277 -2.250 -6.690 198 H CYS 35 H CYS 35 -1.582 -0.041 -3.916 199 HA CYS 35 HA CYS 35 -3.796 1.611 -3.269 200 HB2 CYS 35 2HB CYS 35 -1.454 0.730 -1.587 201 HB3 CYS 35 1HB CYS 35 -2.844 1.596 -0.950 202 H TYR 36 H TYR 36 -0.356 2.098 -2.937 203 HA TYR 36 HA TYR 36 -0.254 4.690 -2.012 204 HB2 TYR 36 2HB TYR 36 1.657 3.220 -2.041 205 HB3 TYR 36 1HB TYR 36 1.622 3.157 -3.795 206 HD1 TYR 36 2HD TYR 36 2.389 5.283 -0.890 207 HD2 TYR 36 1HD TYR 36 2.644 4.845 -5.110 208 HE1 TYR 36 2HE TYR 36 3.958 7.139 -0.968 209 HE2 TYR 36 1HE TYR 36 4.214 6.683 -5.240 210 HH TYR 36 HH TYR 36 4.822 8.689 -3.859 211 H LYS 37 H LYS 37 -0.077 3.557 -5.359 212 HA LYS 37 HA LYS 37 0.254 6.148 -6.442 213 HB2 LYS 37 2HB LYS 37 0.984 3.900 -7.392 214 HB3 LYS 37 1HB LYS 37 -0.674 3.708 -7.928 215 HG2 LYS 37 2HG LYS 37 -0.468 5.759 -9.262 216 HG3 LYS 37 1HG LYS 37 1.209 5.899 -8.707 217 HD2 LYS 37 2HD LYS 37 1.742 3.748 -9.716 218 HD3 LYS 37 1HD LYS 37 0.077 3.574 -10.267 219 HE2 LYS 37 2HE LYS 37 0.334 5.581 -11.640 220 HE3 LYS 37 1HE LYS 37 2.003 5.740 -11.098 221 HZ1 LYS 37 3HZ LYS 37 1.868 4.678 -13.256 222 HZ2 LYS 37 1HZ LYS 37 0.884 3.462 -12.635 223 HZ3 LYS 37 2HZ LYS 37 2.490 3.588 -12.131 224 H SER 38 H SER 38 -2.549 4.217 -5.696 225 HA SER 38 HA SER 38 -4.329 6.024 -7.137 226 HB2 SER 38 2HB SER 38 -4.686 3.542 -7.229 227 HB3 SER 38 1HB SER 38 -4.963 3.543 -5.498 228 HG SER 38 HG SER 38 -6.741 3.730 -7.255 229 H TYR 39 H TYR 39 -2.726 6.076 -4.332 230 HA TYR 39 HA TYR 39 -2.782 7.248 -2.440 231 HB2 TYR 39 2HB TYR 39 -5.133 8.699 -3.690 232 HB3 TYR 39 1HB TYR 39 -4.175 9.272 -2.323 233 HD1 TYR 39 1HD TYR 39 -1.593 9.465 -2.780 234 HD2 TYR 39 2HD TYR 39 -4.563 9.393 -5.813 235 HE1 TYR 39 1HE TYR 39 -0.012 10.500 -4.348 236 HE2 TYR 39 2HE TYR 39 -2.995 10.430 -7.385 237 HH TYR 39 HH TYR 39 -1.001 11.842 -7.237 238 H ASN 40 H ASN 40 -4.140 4.786 -2.474 239 HA ASN 40 HA ASN 40 -6.239 5.240 -0.469 240 HB2 ASN 40 2HB ASN 40 -5.989 3.094 -2.547 241 HB3 ASN 40 1HB ASN 40 -6.856 2.778 -1.048 242 HD21 ASN 40 1HD2 ASN 40 -6.860 4.592 -4.048 243 HD22 ASN 40 2HD2 ASN 40 -8.480 5.120 -3.914 244 H SER 41 H SER 41 -6.474 3.469 1.136 245 HA SER 41 HA SER 41 -3.891 2.840 2.277 246 HB2 SER 41 2HB SER 41 -5.598 2.318 4.196 247 HB3 SER 41 1HB SER 41 -5.126 3.976 3.819 248 HG SER 41 HG SER 41 -7.243 4.035 3.864 249 H CYS 42 H CYS 42 -3.825 0.848 3.619 250 HA CYS 42 HA CYS 42 -4.479 -1.335 1.853 251 HB2 CYS 42 2HB CYS 42 -2.452 -1.091 4.042 252 HB3 CYS 42 1HB CYS 42 -2.835 -2.628 3.263 253 H ALA 43 H ALA 43 -6.564 -1.120 2.572 254 HA ALA 43 HA ALA 43 -7.053 -2.754 4.987 255 HB1 ALA 43 1HB ALA 43 -9.431 -2.100 4.779 256 HB2 ALA 43 2HB ALA 43 -9.015 -1.123 3.365 257 HB3 ALA 43 3HB ALA 43 -8.354 -0.718 4.951 258 H GLY 44 H GLY 44 -6.974 -4.849 4.533 259 HA2 GLY 44 2HA GLY 44 -8.036 -6.815 3.756 260 HA3 GLY 44 1HA GLY 44 -8.747 -5.883 2.448 261 H CYS 45 H CYS 45 -5.485 -5.283 2.914 262 HA CYS 45 HA CYS 45 -4.849 -6.482 0.368 263 HB2 CYS 45 2HB CYS 45 -3.149 -4.880 2.274 264 HB3 CYS 45 1HB CYS 45 -2.653 -5.404 0.669 265 H HIS 46 H HIS 46 -2.682 -7.648 0.181 266 HA HIS 46 HA HIS 46 -2.580 -9.683 2.320 267 HB2 HIS 46 2HB HIS 46 -3.396 -10.163 -0.145 268 HB3 HIS 46 1HB HIS 46 -1.683 -10.108 -0.513 269 HD1 HIS 46 1HD HIS 46 -4.238 -12.414 0.230 270 HD2 HIS 46 2HD HIS 46 -0.249 -12.116 1.294 271 HE1 HIS 46 1HE HIS 46 -3.558 -14.718 0.924 272 HE2 HIS 46 2HE HIS 46 -1.103 -14.549 1.372 273 H CYS 47 H CYS 47 -1.157 -7.050 1.560 274 HA CYS 47 HA CYS 47 1.537 -7.754 0.963 275 HB2 CYS 47 2HB CYS 47 1.981 -5.328 1.475 276 HB3 CYS 47 1HB CYS 47 0.836 -5.642 0.181 277 H VAL 48 H VAL 48 3.319 -7.682 2.242 278 HA VAL 48 HA VAL 48 2.752 -8.085 5.108 279 HB VAL 48 HB VAL 48 5.053 -9.246 3.515 280 HG11 VAL 48 1HG1 VAL 48 4.052 -9.888 6.284 281 HG12 VAL 48 2HG1 VAL 48 5.537 -9.027 5.879 282 HG13 VAL 48 3HG1 VAL 48 5.357 -10.726 5.444 283 HG21 VAL 48 3HG2 VAL 48 2.982 -10.205 2.695 284 HG22 VAL 48 1HG2 VAL 48 2.494 -10.592 4.345 285 HG23 VAL 48 2HG2 VAL 48 3.886 -11.406 3.623 286 H GLY 49 H GLY 49 3.628 -6.696 6.441 287 HA2 GLY 49 2HA GLY 49 4.905 -5.017 7.300 288 HA3 GLY 49 1HA GLY 49 6.214 -5.638 6.300 289 H CYS 50 H CYS 50 3.118 -4.047 5.688 290 HA CYS 50 HA CYS 50 4.429 -2.600 3.558 291 HB2 CYS 50 2HB CYS 50 2.348 -1.979 2.742 292 HB3 CYS 50 1HB CYS 50 2.143 -3.645 3.266 293 H LYS 51 H LYS 51 5.071 -0.609 3.652 294 HA LYS 51 HA LYS 51 4.096 1.074 5.847 295 HB2 LYS 51 2HB LYS 51 6.510 1.393 4.045 296 HB3 LYS 51 1HB LYS 51 6.003 2.576 5.239 297 HG2 LYS 51 2HG LYS 51 6.844 -0.245 5.837 298 HG3 LYS 51 1HG LYS 51 7.859 1.193 6.000 299 HD2 LYS 51 2HD LYS 51 6.306 2.105 7.663 300 HD3 LYS 51 1HD LYS 51 5.285 0.674 7.499 301 HE2 LYS 51 2HE LYS 51 8.151 0.668 8.422 302 HE3 LYS 51 1HE LYS 51 6.748 0.599 9.483 303 HZ1 LYS 51 3HZ LYS 51 7.723 -1.576 9.045 304 HZ2 LYS 51 1HZ LYS 51 7.415 -1.429 7.408 305 HZ3 LYS 51 2HZ LYS 51 6.139 -1.516 8.517 306 H ASN 52 H ASN 52 2.182 1.738 5.018 307 HA ASN 52 HA ASN 52 2.302 3.126 2.445 308 HB2 ASN 52 2HB ASN 52 0.639 1.241 2.661 309 HB3 ASN 52 1HB ASN 52 -0.164 2.135 3.936 310 HD21 ASN 52 1HD2 ASN 52 -1.357 1.283 1.538 311 HD22 ASN 52 2HD2 ASN 52 -1.870 2.696 0.675 312 HA PRO 53 HA PRO 53 2.187 6.858 5.025 313 HB2 PRO 53 2HB PRO 53 1.331 7.938 2.384 314 HB3 PRO 53 1HB PRO 53 2.578 8.539 3.476 315 HG2 PRO 53 2HG PRO 53 3.234 7.246 1.257 316 HG3 PRO 53 1HG PRO 53 4.138 6.994 2.758 317 HD2 PRO 53 2HD PRO 53 2.172 5.205 1.417 318 HD3 PRO 53 1HD PRO 53 3.604 4.804 2.384 319 H HIS 54 H HIS 54 -0.213 5.702 2.792 320 HA HIS 54 HA HIS 54 -2.288 7.461 3.809 321 HB2 HIS 54 2HB HIS 54 -2.488 5.257 1.752 322 HB3 HIS 54 1HB HIS 54 -3.753 6.394 2.176 323 HD1 HIS 54 1HD HIS 54 -3.591 8.727 1.219 324 HD2 HIS 54 2HD HIS 54 -0.418 6.277 0.225 325 HE1 HIS 54 1HE HIS 54 -2.408 9.909 -0.669 326 HE2 HIS 54 2HE HIS 54 -0.330 8.560 -1.023 327 H LYS 55 H LYS 55 -2.702 6.851 5.802 328 HA LYS 55 HA LYS 55 -3.818 4.141 6.121 329 HB2 LYS 55 2HB LYS 55 -1.826 4.788 7.560 330 HB3 LYS 55 1HB LYS 55 -2.889 5.926 8.377 331 HG2 LYS 55 2HG LYS 55 -4.327 4.134 9.122 332 HG3 LYS 55 1HG LYS 55 -3.404 2.960 8.190 333 HD2 LYS 55 2HD LYS 55 -2.340 4.608 10.448 334 HD3 LYS 55 1HD LYS 55 -2.902 2.935 10.595 335 HE2 LYS 55 2HE LYS 55 -1.172 2.244 8.970 336 HE3 LYS 55 1HE LYS 55 -0.595 3.905 8.889 337 HZ1 LYS 55 3HZ LYS 55 -0.538 2.150 11.291 338 HZ2 LYS 55 1HZ LYS 55 -0.013 3.759 11.255 339 HZ3 LYS 55 2HZ LYS 55 0.762 2.605 10.338 340 H GLU 56 H GLU 56 -4.869 6.667 5.075 341 HA GLU 56 HA GLU 56 -6.866 7.822 6.680 342 HB2 GLU 56 2HB GLU 56 -6.781 7.360 3.700 343 HB3 GLU 56 1HB GLU 56 -7.818 8.513 4.524 344 HG2 GLU 56 2HG GLU 56 -6.035 9.915 5.065 345 HG3 GLU 56 1HG GLU 56 -4.835 8.657 4.770 346 H ASP 57 H ASP 57 -9.009 7.213 6.999 347 HA ASP 57 HA ASP 57 -10.839 5.942 7.180 348 HB2 ASP 57 2HB ASP 57 -11.125 5.630 4.854 349 HB3 ASP 57 1HB ASP 57 -9.739 4.552 4.746 350 H TYR 58 H TYR 58 -7.877 4.435 7.185 351 HA TYR 58 HA TYR 58 -8.873 2.168 8.706 352 HB2 TYR 58 2HB TYR 58 -7.018 1.970 6.930 353 HB3 TYR 58 1HB TYR 58 -5.966 2.737 8.106 354 HD1 TYR 58 2HD TYR 58 -8.052 -0.242 7.462 355 HD2 TYR 58 1HD TYR 58 -4.996 1.466 9.874 356 HE1 TYR 58 2HE TYR 58 -7.607 -2.448 8.443 357 HE2 TYR 58 1HE TYR 58 -4.545 -0.739 10.860 358 HH TYR 58 HH TYR 58 -5.714 -2.796 11.222 359 H VAL 59 H VAL 59 -9.656 3.481 10.369 360 HA VAL 59 HA VAL 59 -7.627 4.530 12.157 361 HB VAL 59 HB VAL 59 -9.545 5.730 13.328 362 HG11 VAL 59 1HG1 VAL 59 -9.011 6.410 10.445 363 HG12 VAL 59 2HG1 VAL 59 -8.043 6.908 11.832 364 HG13 VAL 59 3HG1 VAL 59 -9.690 7.513 11.635 365 HG21 VAL 59 3HG2 VAL 59 -11.415 4.401 12.467 366 HG22 VAL 59 1HG2 VAL 59 -11.055 4.936 10.826 367 HG23 VAL 59 2HG2 VAL 59 -11.610 6.101 12.032 Start of MODEL 4 1 H1 SER 8 1HT SER 8 -18.140 1.651 1.928 2 H2 SER 8 2HT SER 8 -18.374 3.290 1.569 3 H3 SER 8 3HT SER 8 -17.636 2.794 3.042 4 HA SER 8 HA SER 8 -16.030 3.601 1.480 5 HB2 SER 8 2HB SER 8 -15.943 0.655 2.107 6 HB3 SER 8 1HB SER 8 -14.557 1.714 1.809 7 HG SER 8 HG SER 8 -14.818 1.520 3.954 8 HA PRO 9 HA PRO 9 -16.759 2.224 -2.702 9 HB2 PRO 9 2HB PRO 9 -14.715 3.439 -3.903 10 HB3 PRO 9 1HB PRO 9 -16.004 4.394 -3.159 11 HG2 PRO 9 2HG PRO 9 -13.280 3.753 -2.103 12 HG3 PRO 9 1HG PRO 9 -14.154 5.293 -2.075 13 HD2 PRO 9 2HD PRO 9 -14.039 3.548 0.049 14 HD3 PRO 9 1HD PRO 9 -15.339 4.729 -0.213 15 HA PRO 10 HA PRO 10 -14.261 -1.420 -3.599 16 HB2 PRO 10 2HB PRO 10 -14.026 -0.206 -6.328 17 HB3 PRO 10 1HB PRO 10 -14.482 -1.854 -5.882 18 HG2 PRO 10 2HG PRO 10 -16.332 -0.130 -6.649 19 HG3 PRO 10 1HG PRO 10 -16.641 -1.243 -5.304 20 HD2 PRO 10 2HD PRO 10 -16.053 1.679 -5.242 21 HD3 PRO 10 1HD PRO 10 -17.099 0.705 -4.188 22 H LYS 11 H LYS 11 -12.140 -1.768 -3.312 23 HA LYS 11 HA LYS 11 -10.256 0.362 -3.967 24 HB2 LYS 11 2HB LYS 11 -9.163 0.039 -1.781 25 HB3 LYS 11 1HB LYS 11 -10.820 0.604 -1.613 26 HG2 LYS 11 2HG LYS 11 -11.528 -1.717 -1.122 27 HG3 LYS 11 1HG LYS 11 -9.846 -2.228 -1.229 28 HD2 LYS 11 2HD LYS 11 -10.993 -0.264 0.762 29 HD3 LYS 11 1HD LYS 11 -10.540 -1.932 1.097 30 HE2 LYS 11 2HE LYS 11 -8.203 -1.396 0.534 31 HE3 LYS 11 1HE LYS 11 -8.668 0.280 0.233 32 HZ1 LYS 11 3HZ LYS 11 -9.485 0.296 2.588 33 HZ2 LYS 11 1HZ LYS 11 -7.828 0.196 2.387 34 HZ3 LYS 11 2HZ LYS 11 -8.701 -1.177 2.804 35 HA PRO 12 HA PRO 12 -7.945 -3.154 -5.546 36 HB2 PRO 12 2HB PRO 12 -5.511 -1.568 -5.367 37 HB3 PRO 12 1HB PRO 12 -6.355 -2.136 -6.804 38 HG2 PRO 12 2HG PRO 12 -6.275 0.488 -6.082 39 HG3 PRO 12 1HG PRO 12 -7.626 -0.236 -6.972 40 HD2 PRO 12 2HD PRO 12 -7.410 0.448 -4.070 41 HD3 PRO 12 1HD PRO 12 -8.783 0.607 -5.187 42 H LYS 13 H LYS 13 -6.755 -4.770 -4.700 43 HA LYS 13 HA LYS 13 -5.517 -4.255 -2.107 44 HB2 LYS 13 2HB LYS 13 -5.904 -6.620 -1.507 45 HB3 LYS 13 1HB LYS 13 -7.402 -5.759 -1.808 46 HG2 LYS 13 2HG LYS 13 -7.588 -6.834 -4.001 47 HG3 LYS 13 1HG LYS 13 -6.051 -7.644 -3.746 48 HD2 LYS 13 2HD LYS 13 -7.853 -9.189 -3.283 49 HD3 LYS 13 1HD LYS 13 -7.025 -8.796 -1.780 50 HE2 LYS 13 2HE LYS 13 -9.418 -8.809 -1.423 51 HE3 LYS 13 1HE LYS 13 -8.815 -7.167 -1.253 52 HZ1 LYS 13 3HZ LYS 13 -9.569 -6.754 -3.556 53 HZ2 LYS 13 1HZ LYS 13 -10.836 -7.192 -2.535 54 HZ3 LYS 13 2HZ LYS 13 -10.203 -8.304 -3.615 55 H CYS 14 H CYS 14 -3.463 -4.374 -2.057 56 HA CYS 14 HA CYS 14 -2.023 -5.511 -4.321 57 HB2 CYS 14 2HB CYS 14 -0.067 -4.383 -3.422 58 HB3 CYS 14 1HB CYS 14 -1.413 -3.251 -3.527 59 H ARG 15 H ARG 15 -0.218 -6.877 -3.946 60 HA ARG 15 HA ARG 15 -0.377 -8.478 -1.490 61 HB2 ARG 15 2HB ARG 15 -1.463 -9.505 -3.569 62 HB3 ARG 15 1HB ARG 15 0.114 -9.483 -4.320 63 HG2 ARG 15 2HG ARG 15 -0.061 -10.928 -1.753 64 HG3 ARG 15 1HG ARG 15 -0.943 -11.638 -3.103 65 HD2 ARG 15 2HD ARG 15 1.979 -10.889 -3.109 66 HD3 ARG 15 1HD ARG 15 1.345 -12.524 -2.907 67 HE ARG 15 HE ARG 15 0.551 -12.463 -5.132 68 HH11 ARG 15 1HH1 ARG 15 2.601 -9.642 -4.364 69 HH12 ARG 15 2HH1 ARG 15 3.080 -9.408 -5.993 70 HH21 ARG 15 1HH2 ARG 15 1.228 -12.077 -7.336 71 HH22 ARG 15 2HH2 ARG 15 2.275 -10.802 -7.710 72 H CYS 16 H CYS 16 1.129 -6.295 -1.810 73 HA CYS 16 HA CYS 16 3.769 -6.611 -2.784 74 HB2 CYS 16 2HB CYS 16 2.721 -4.770 -0.614 75 HB3 CYS 16 1HB CYS 16 4.302 -4.659 -1.365 76 H GLY 17 H GLY 17 5.574 -7.483 -1.826 77 HA2 GLY 17 2HA GLY 17 6.965 -7.762 0.099 78 HA3 GLY 17 1HA GLY 17 5.510 -7.990 1.063 79 H ILE 18 H ILE 18 4.135 -9.769 -0.339 80 HA ILE 18 HA ILE 18 5.399 -12.214 0.352 81 HB ILE 18 HB ILE 18 2.964 -11.871 -1.415 82 HG12 ILE 18 2HG1 ILE 18 3.234 -11.920 1.592 83 HG13 ILE 18 1HG1 ILE 18 2.589 -10.653 0.590 84 HG21 ILE 18 1HG2 ILE 18 2.352 -14.120 -0.596 85 HG22 ILE 18 2HG2 ILE 18 3.874 -14.199 0.291 86 HG23 ILE 18 3HG2 ILE 18 3.885 -14.129 -1.469 87 HD11 ILE 18 3HD1 ILE 18 1.290 -13.347 0.927 88 HD12 ILE 18 1HD1 ILE 18 0.675 -12.002 -0.034 89 HD13 ILE 18 2HD1 ILE 18 0.790 -11.852 1.719 90 H SER 19 H SER 19 4.903 -10.508 -2.657 91 HA SER 19 HA SER 19 6.845 -12.201 -3.934 92 HB2 SER 19 2HB SER 19 4.604 -13.242 -4.362 93 HB3 SER 19 1HB SER 19 4.074 -11.724 -5.073 94 HG SER 19 HG SER 19 6.240 -13.300 -5.977 95 H GLY 20 H GLY 20 7.432 -11.164 -6.049 96 HA2 GLY 20 2HA GLY 20 7.598 -9.277 -7.445 97 HA3 GLY 20 1HA GLY 20 6.848 -8.304 -6.180 98 H SER 21 H SER 21 8.151 -8.389 -4.076 99 HA SER 21 HA SER 21 10.982 -8.534 -4.401 100 HB2 SER 21 2HB SER 21 10.458 -6.276 -5.319 101 HB3 SER 21 1HB SER 21 9.655 -5.869 -3.806 102 HG SER 21 HG SER 21 11.676 -5.088 -3.644 103 H SER 22 H SER 22 11.836 -9.084 -2.489 104 HA SER 22 HA SER 22 10.059 -9.288 -0.226 105 HB2 SER 22 2HB SER 22 12.938 -10.149 -0.545 106 HB3 SER 22 1HB SER 22 11.832 -10.647 0.737 107 HG SER 22 HG SER 22 10.823 -11.029 -1.754 108 H ASN 23 H ASN 23 9.815 -7.225 0.513 109 HA ASN 23 HA ASN 23 12.100 -6.068 1.825 110 HB2 ASN 23 2HB ASN 23 12.131 -5.040 -0.438 111 HB3 ASN 23 1HB ASN 23 10.471 -4.511 -0.207 112 HD21 ASN 23 1HD2 ASN 23 13.776 -4.060 0.774 113 HD22 ASN 23 2HD2 ASN 23 13.557 -2.501 1.471 114 H THR 24 H THR 24 11.480 -5.080 3.663 115 HA THR 24 HA THR 24 8.601 -4.998 4.247 116 HB THR 24 HB THR 24 10.934 -5.156 6.181 117 HG1 THR 24 1HG THR 24 9.980 -6.962 4.457 118 HG21 THR 24 3HG2 THR 24 8.009 -5.913 6.515 119 HG22 THR 24 1HG2 THR 24 8.750 -4.450 7.167 120 HG23 THR 24 2HG2 THR 24 9.255 -6.036 7.750 121 H LEU 25 H LEU 25 10.850 -2.918 3.221 122 HA LEU 25 HA LEU 25 10.683 -0.936 5.374 123 HB2 LEU 25 2HB LEU 25 12.500 -1.039 2.983 124 HB3 LEU 25 1HB LEU 25 12.583 0.116 4.297 125 HG LEU 25 HG LEU 25 13.030 -2.859 4.596 126 HD11 LEU 25 1HD1 LEU 25 14.790 -1.832 3.268 127 HD12 LEU 25 2HD1 LEU 25 15.381 -2.291 4.865 128 HD13 LEU 25 3HD1 LEU 25 15.017 -0.603 4.512 129 HD21 LEU 25 3HD2 LEU 25 13.916 -2.229 6.807 130 HD22 LEU 25 1HD2 LEU 25 12.204 -1.834 6.638 131 HD23 LEU 25 2HD2 LEU 25 13.418 -0.564 6.513 132 H THR 26 H THR 26 10.557 -0.928 1.782 133 HA THR 26 HA THR 26 8.918 1.519 1.970 134 HB THR 26 HB THR 26 9.995 2.083 -0.283 135 HG1 THR 26 1HG THR 26 11.163 0.435 -0.986 136 HG21 THR 26 3HG2 THR 26 12.005 3.054 0.780 137 HG22 THR 26 1HG2 THR 26 11.752 2.020 2.183 138 HG23 THR 26 2HG2 THR 26 10.577 3.273 1.793 139 H THR 27 H THR 27 8.381 -1.463 1.594 140 HA THR 27 HA THR 27 7.776 -2.361 -0.837 141 HB THR 27 HB THR 27 5.966 -2.835 1.472 142 HG1 THR 27 1HG THR 27 8.058 -4.203 1.973 143 HG21 THR 27 3HG2 THR 27 6.216 -5.115 0.760 144 HG22 THR 27 1HG2 THR 27 7.576 -4.685 -0.297 145 HG23 THR 27 2HG2 THR 27 5.964 -4.125 -0.690 146 H CYS 28 H CYS 28 5.246 -1.007 1.317 147 HA CYS 28 HA CYS 28 3.603 -0.565 -1.009 148 HB2 CYS 28 2HB CYS 28 2.912 -0.449 1.923 149 HB3 CYS 28 1HB CYS 28 1.781 0.057 0.680 150 H ARG 29 H ARG 29 5.858 1.208 0.400 151 HA ARG 29 HA ARG 29 4.446 3.757 0.304 152 HB2 ARG 29 2HB ARG 29 5.894 3.285 2.216 153 HB3 ARG 29 1HB ARG 29 7.282 3.115 1.149 154 HG2 ARG 29 2HG ARG 29 7.201 5.475 0.638 155 HG3 ARG 29 1HG ARG 29 5.695 5.648 1.539 156 HD2 ARG 29 2HD ARG 29 6.852 4.993 3.594 157 HD3 ARG 29 1HD ARG 29 8.356 4.820 2.698 158 HE ARG 29 HE ARG 29 8.058 7.266 2.179 159 HH11 ARG 29 1HH1 ARG 29 6.775 5.866 5.217 160 HH12 ARG 29 2HH1 ARG 29 6.989 7.283 6.112 161 HH21 ARG 29 1HH2 ARG 29 8.317 9.215 3.440 162 HH22 ARG 29 2HH2 ARG 29 7.891 9.249 5.072 163 H ASN 30 H ASN 30 6.002 1.878 -1.870 164 HA ASN 30 HA ASN 30 7.008 4.242 -3.293 165 HB2 ASN 30 2HB ASN 30 8.634 2.953 -4.466 166 HB3 ASN 30 1HB ASN 30 8.728 2.427 -2.797 167 HD21 ASN 30 1HD2 ASN 30 8.000 0.336 -2.283 168 HD22 ASN 30 2HD2 ASN 30 7.744 -0.846 -3.510 169 H SER 31 H SER 31 7.041 3.776 -5.794 170 HA SER 31 HA SER 31 4.369 4.038 -6.550 171 HB2 SER 31 2HB SER 31 6.785 3.664 -8.287 172 HB3 SER 31 1HB SER 31 5.253 4.425 -8.725 173 HG SER 31 HG SER 31 5.892 6.168 -7.865 174 H ARG 32 H ARG 32 6.001 1.111 -6.056 175 HA ARG 32 HA ARG 32 4.643 -0.220 -8.241 176 HB2 ARG 32 2HB ARG 32 6.388 -1.406 -6.082 177 HB3 ARG 32 1HB ARG 32 5.713 -2.289 -7.438 178 HG2 ARG 32 2HG ARG 32 7.790 -0.116 -7.503 179 HG3 ARG 32 1HG ARG 32 7.983 -1.813 -7.947 180 HD2 ARG 32 2HD ARG 32 6.340 0.266 -9.381 181 HD3 ARG 32 1HD ARG 32 7.840 -0.454 -9.948 182 HE ARG 32 HE ARG 32 6.176 -2.567 -9.573 183 HH11 ARG 32 1HH1 ARG 32 5.965 0.438 -11.495 184 HH12 ARG 32 2HH1 ARG 32 4.950 -0.235 -12.664 185 HH21 ARG 32 1HH2 ARG 32 4.781 -3.472 -11.192 186 HH22 ARG 32 2HH2 ARG 32 4.278 -2.511 -12.511 187 H CYS 33 H CYS 33 3.689 0.869 -5.344 188 HA CYS 33 HA CYS 33 1.927 -1.387 -4.951 189 HB2 CYS 33 2HB CYS 33 3.092 -0.555 -2.967 190 HB3 CYS 33 1HB CYS 33 2.373 1.038 -3.206 191 HA PRO 34 HA PRO 34 -0.916 0.986 -7.475 192 HB2 PRO 34 2HB PRO 34 -3.064 -0.710 -7.105 193 HB3 PRO 34 1HB PRO 34 -1.797 -0.956 -8.306 194 HG2 PRO 34 2HG PRO 34 -2.102 -2.188 -5.605 195 HG3 PRO 34 1HG PRO 34 -1.577 -2.934 -7.124 196 HD2 PRO 34 2HD PRO 34 0.156 -2.236 -5.210 197 HD3 PRO 34 1HD PRO 34 0.579 -2.095 -6.931 198 H CYS 35 H CYS 35 -1.389 0.004 -4.220 199 HA CYS 35 HA CYS 35 -3.783 1.443 -3.689 200 HB2 CYS 35 2HB CYS 35 -1.614 0.549 -1.799 201 HB3 CYS 35 1HB CYS 35 -3.218 1.096 -1.326 202 H TYR 36 H TYR 36 -0.448 2.035 -2.678 203 HA TYR 36 HA TYR 36 -0.686 4.561 -1.642 204 HB2 TYR 36 2HB TYR 36 1.314 3.263 -1.355 205 HB3 TYR 36 1HB TYR 36 1.625 3.270 -3.086 206 HD1 TYR 36 2HD TYR 36 1.393 5.472 -0.131 207 HD2 TYR 36 1HD TYR 36 2.933 4.975 -4.056 208 HE1 TYR 36 2HE TYR 36 2.742 7.500 0.152 209 HE2 TYR 36 1HE TYR 36 4.274 7.002 -3.814 210 HH TYR 36 HH TYR 36 4.370 9.005 -2.484 211 H LYS 37 H LYS 37 0.085 3.641 -4.948 212 HA LYS 37 HA LYS 37 0.525 6.278 -5.848 213 HB2 LYS 37 2HB LYS 37 1.256 3.932 -6.797 214 HB3 LYS 37 1HB LYS 37 -0.237 4.046 -7.705 215 HG2 LYS 37 2HG LYS 37 1.963 6.103 -7.767 216 HG3 LYS 37 1HG LYS 37 1.833 4.790 -8.920 217 HD2 LYS 37 2HD LYS 37 -0.300 6.902 -8.523 218 HD3 LYS 37 1HD LYS 37 0.993 7.048 -9.703 219 HE2 LYS 37 2HE LYS 37 -0.941 6.284 -10.871 220 HE3 LYS 37 1HE LYS 37 0.144 4.913 -10.751 221 HZ1 LYS 37 3HZ LYS 37 -2.166 4.358 -10.345 222 HZ2 LYS 37 1HZ LYS 37 -2.250 5.369 -9.023 223 HZ3 LYS 37 2HZ LYS 37 -1.270 3.965 -9.035 224 H SER 38 H SER 38 -2.368 4.226 -5.736 225 HA SER 38 HA SER 38 -3.859 6.273 -7.179 226 HB2 SER 38 2HB SER 38 -4.649 3.487 -6.336 227 HB3 SER 38 1HB SER 38 -5.672 4.593 -7.259 228 HG SER 38 HG SER 38 -4.305 2.957 -8.393 229 H TYR 39 H TYR 39 -2.887 6.284 -4.284 230 HA TYR 39 HA TYR 39 -3.450 7.450 -2.452 231 HB2 TYR 39 2HB TYR 39 -6.050 8.093 -3.838 232 HB3 TYR 39 1HB TYR 39 -5.410 8.912 -2.421 233 HD1 TYR 39 1HD TYR 39 -2.973 9.963 -2.798 234 HD2 TYR 39 2HD TYR 39 -5.729 9.045 -5.906 235 HE1 TYR 39 1HE TYR 39 -1.852 11.580 -4.268 236 HE2 TYR 39 2HE TYR 39 -4.606 10.652 -7.386 237 HH TYR 39 HH TYR 39 -1.584 12.021 -6.683 238 H ASN 40 H ASN 40 -4.394 4.595 -2.869 239 HA ASN 40 HA ASN 40 -6.646 4.528 -1.003 240 HB2 ASN 40 2HB ASN 40 -5.491 2.400 -2.799 241 HB3 ASN 40 1HB ASN 40 -6.616 2.002 -1.507 242 HD21 ASN 40 1HD2 ASN 40 -6.236 3.462 -4.630 243 HD22 ASN 40 2HD2 ASN 40 -7.924 3.686 -4.931 244 H SER 41 H SER 41 -6.615 2.642 0.575 245 HA SER 41 HA SER 41 -4.164 2.824 2.132 246 HB2 SER 41 2HB SER 41 -5.714 2.019 3.934 247 HB3 SER 41 1HB SER 41 -6.150 3.585 3.243 248 HG SER 41 HG SER 41 -8.014 2.637 3.013 249 H CYS 42 H CYS 42 -3.640 0.775 3.376 250 HA CYS 42 HA CYS 42 -4.053 -1.496 1.608 251 HB2 CYS 42 2HB CYS 42 -1.733 -0.818 3.367 252 HB3 CYS 42 1HB CYS 42 -1.987 -2.445 2.739 253 H ALA 43 H ALA 43 -5.569 -0.496 4.028 254 HA ALA 43 HA ALA 43 -5.565 -2.771 5.760 255 HB1 ALA 43 1HB ALA 43 -7.653 -1.799 6.645 256 HB2 ALA 43 2HB ALA 43 -7.652 -0.639 5.316 257 HB3 ALA 43 3HB ALA 43 -6.377 -0.578 6.536 258 H GLY 44 H GLY 44 -6.115 -4.682 4.967 259 HA2 GLY 44 2HA GLY 44 -7.880 -6.146 4.236 260 HA3 GLY 44 1HA GLY 44 -8.454 -4.848 3.196 261 H CYS 45 H CYS 45 -5.096 -5.097 3.171 262 HA CYS 45 HA CYS 45 -5.187 -6.304 0.501 263 HB2 CYS 45 2HB CYS 45 -2.959 -4.826 1.909 264 HB3 CYS 45 1HB CYS 45 -2.870 -5.459 0.275 265 H HIS 46 H HIS 46 -2.841 -7.404 0.092 266 HA HIS 46 HA HIS 46 -2.404 -9.374 2.226 267 HB2 HIS 46 2HB HIS 46 -2.238 -9.714 -0.795 268 HB3 HIS 46 1HB HIS 46 -1.639 -10.899 0.354 269 HD1 HIS 46 1HD HIS 46 -3.304 -12.592 1.182 270 HD2 HIS 46 2HD HIS 46 -5.118 -9.346 -0.661 271 HE1 HIS 46 1HE HIS 46 -5.736 -13.152 1.062 272 HE2 HIS 46 2HE HIS 46 -6.806 -11.026 0.256 273 H CYS 47 H CYS 47 -1.280 -6.878 2.099 274 HA CYS 47 HA CYS 47 1.364 -7.250 0.993 275 HB2 CYS 47 2HB CYS 47 1.692 -4.858 1.677 276 HB3 CYS 47 1HB CYS 47 0.525 -5.170 0.406 277 H VAL 48 H VAL 48 3.021 -7.589 2.078 278 HA VAL 48 HA VAL 48 2.880 -7.639 5.016 279 HB VAL 48 HB VAL 48 4.641 -9.339 3.206 280 HG11 VAL 48 1HG1 VAL 48 5.243 -10.546 5.254 281 HG12 VAL 48 2HG1 VAL 48 4.279 -9.415 6.202 282 HG13 VAL 48 3HG1 VAL 48 5.705 -8.847 5.337 283 HG21 VAL 48 3HG2 VAL 48 2.225 -10.122 4.834 284 HG22 VAL 48 1HG2 VAL 48 3.279 -11.240 3.968 285 HG23 VAL 48 2HG2 VAL 48 2.324 -10.058 3.073 286 H GLY 49 H GLY 49 4.167 -6.221 5.964 287 HA2 GLY 49 2HA GLY 49 6.077 -4.898 6.278 288 HA3 GLY 49 1HA GLY 49 6.625 -5.385 4.666 289 H CYS 50 H CYS 50 3.494 -4.182 5.548 290 HA CYS 50 HA CYS 50 3.565 -2.365 3.381 291 HB2 CYS 50 2HB CYS 50 1.517 -3.518 3.752 292 HB3 CYS 50 1HB CYS 50 1.491 -3.043 5.446 293 H LYS 51 H LYS 51 4.735 -0.615 3.734 294 HA LYS 51 HA LYS 51 3.972 0.970 6.073 295 HB2 LYS 51 2HB LYS 51 6.343 1.385 4.215 296 HB3 LYS 51 1HB LYS 51 6.023 2.243 5.709 297 HG2 LYS 51 2HG LYS 51 6.725 -0.680 5.485 298 HG3 LYS 51 1HG LYS 51 7.835 0.608 5.933 299 HD2 LYS 51 2HD LYS 51 6.488 1.076 7.920 300 HD3 LYS 51 1HD LYS 51 5.353 -0.189 7.454 301 HE2 LYS 51 2HE LYS 51 7.176 -1.846 7.592 302 HE3 LYS 51 1HE LYS 51 8.274 -0.572 8.114 303 HZ1 LYS 51 3HZ LYS 51 5.839 -1.461 9.553 304 HZ2 LYS 51 1HZ LYS 51 6.884 -0.238 10.070 305 HZ3 LYS 51 2HZ LYS 51 7.423 -1.821 9.983 306 H ASN 52 H ASN 52 2.101 1.675 5.136 307 HA ASN 52 HA ASN 52 2.409 3.143 2.623 308 HB2 ASN 52 2HB ASN 52 0.808 1.325 2.396 309 HB3 ASN 52 1HB ASN 52 -0.100 1.910 3.775 310 HD21 ASN 52 1HD2 ASN 52 -1.868 1.904 2.380 311 HD22 ASN 52 2HD2 ASN 52 -2.207 3.173 1.243 312 HA PRO 53 HA PRO 53 2.076 6.855 5.126 313 HB2 PRO 53 2HB PRO 53 1.907 7.938 2.360 314 HB3 PRO 53 1HB PRO 53 2.917 8.459 3.713 315 HG2 PRO 53 2HG PRO 53 4.021 7.075 1.782 316 HG3 PRO 53 1HG PRO 53 4.393 6.666 3.466 317 HD2 PRO 53 2HD PRO 53 2.530 5.296 1.562 318 HD3 PRO 53 1HD PRO 53 3.723 4.610 2.693 319 H HIS 54 H HIS 54 -0.271 5.510 3.125 320 HA HIS 54 HA HIS 54 -2.195 7.649 3.670 321 HB2 HIS 54 2HB HIS 54 -2.487 5.075 2.115 322 HB3 HIS 54 1HB HIS 54 -3.849 6.115 2.506 323 HD1 HIS 54 1HD HIS 54 -3.832 8.486 1.414 324 HD2 HIS 54 2HD HIS 54 -0.973 5.850 0.021 325 HE1 HIS 54 1HE HIS 54 -3.066 9.457 -0.753 326 HE2 HIS 54 2HE HIS 54 -1.062 8.061 -1.318 327 H LYS 55 H LYS 55 -3.785 7.459 5.108 328 HA LYS 55 HA LYS 55 -3.340 5.554 7.200 329 HB2 LYS 55 2HB LYS 55 -5.521 7.605 6.889 330 HB3 LYS 55 1HB LYS 55 -5.311 6.589 8.303 331 HG2 LYS 55 2HG LYS 55 -3.041 7.590 8.577 332 HG3 LYS 55 1HG LYS 55 -3.465 8.703 7.268 333 HD2 LYS 55 2HD LYS 55 -5.380 9.483 8.528 334 HD3 LYS 55 1HD LYS 55 -4.982 8.376 9.842 335 HE2 LYS 55 2HE LYS 55 -2.828 9.535 10.124 336 HE3 LYS 55 1HE LYS 55 -3.295 10.673 8.864 337 HZ1 LYS 55 3HZ LYS 55 -3.744 11.597 11.035 338 HZ2 LYS 55 1HZ LYS 55 -4.686 10.258 11.447 339 HZ3 LYS 55 2HZ LYS 55 -5.205 11.306 10.240 340 H GLU 56 H GLU 56 -5.476 4.652 8.193 341 HA GLU 56 HA GLU 56 -6.308 2.615 6.363 342 HB2 GLU 56 2HB GLU 56 -7.320 3.193 9.139 343 HB3 GLU 56 1HB GLU 56 -7.468 1.696 8.242 344 HG2 GLU 56 2HG GLU 56 -5.136 1.271 8.414 345 HG3 GLU 56 1HG GLU 56 -4.852 2.875 9.096 346 H ASP 57 H ASP 57 -8.637 2.069 6.219 347 HA ASP 57 HA ASP 57 -10.192 4.120 5.113 348 HB2 ASP 57 2HB ASP 57 -11.189 1.493 6.235 349 HB3 ASP 57 1HB ASP 57 -11.930 2.464 4.974 350 H TYR 58 H TYR 58 -11.854 5.282 6.000 351 HA TYR 58 HA TYR 58 -11.971 5.278 8.872 352 HB2 TYR 58 2HB TYR 58 -13.429 7.361 8.559 353 HB3 TYR 58 1HB TYR 58 -11.766 7.496 8.014 354 HD1 TYR 58 1HD TYR 58 -11.307 7.322 5.524 355 HD2 TYR 58 2HD TYR 58 -15.232 7.759 7.097 356 HE1 TYR 58 1HE TYR 58 -12.088 8.073 3.337 357 HE2 TYR 58 2HE TYR 58 -16.031 8.511 4.906 358 HH TYR 58 HH TYR 58 -15.149 9.497 2.892 359 H VAL 59 H VAL 59 -12.880 3.311 9.113 360 HA VAL 59 HA VAL 59 -15.691 3.163 8.429 361 HB VAL 59 HB VAL 59 -15.367 0.607 8.622 362 HG11 VAL 59 1HG1 VAL 59 -13.981 2.098 6.390 363 HG12 VAL 59 2HG1 VAL 59 -15.713 1.773 6.492 364 HG13 VAL 59 3HG1 VAL 59 -14.577 0.438 6.307 365 HG21 VAL 59 3HG2 VAL 59 -13.140 0.656 9.684 366 HG22 VAL 59 1HG2 VAL 59 -12.475 1.412 8.238 367 HG23 VAL 59 2HG2 VAL 59 -13.109 -0.234 8.160 Start of MODEL 5 1 H1 SER 8 1HT SER 8 -18.501 5.216 -2.178 2 H2 SER 8 2HT SER 8 -17.092 6.086 -2.424 3 H3 SER 8 3HT SER 8 -17.857 6.137 -0.913 4 HA SER 8 HA SER 8 -15.943 4.760 -0.815 5 HB2 SER 8 2HB SER 8 -18.484 3.120 -0.783 6 HB3 SER 8 1HB SER 8 -17.041 2.878 0.206 7 HG SER 8 HG SER 8 -18.274 4.010 1.556 8 HA PRO 9 HA PRO 9 -15.629 2.895 -4.965 9 HB2 PRO 9 2HB PRO 9 -13.043 3.408 -5.399 10 HB3 PRO 9 1HB PRO 9 -14.251 4.694 -5.477 11 HG2 PRO 9 2HG PRO 9 -12.315 4.048 -3.299 12 HG3 PRO 9 1HG PRO 9 -12.846 5.630 -3.896 13 HD2 PRO 9 2HD PRO 9 -13.828 4.336 -1.623 14 HD3 PRO 9 1HD PRO 9 -14.633 5.669 -2.474 15 HA PRO 10 HA PRO 10 -13.809 -1.081 -3.835 16 HB2 PRO 10 2HB PRO 10 -13.046 -1.493 -6.642 17 HB3 PRO 10 1HB PRO 10 -14.229 -2.377 -5.677 18 HG2 PRO 10 2HG PRO 10 -14.963 -0.731 -7.688 19 HG3 PRO 10 1HG PRO 10 -15.952 -0.957 -6.235 20 HD2 PRO 10 2HD PRO 10 -14.104 1.291 -6.941 21 HD3 PRO 10 1HD PRO 10 -15.716 1.333 -6.185 22 H LYS 11 H LYS 11 -11.817 -1.458 -3.042 23 HA LYS 11 HA LYS 11 -9.612 0.200 -3.989 24 HB2 LYS 11 2HB LYS 11 -9.901 -1.588 -1.595 25 HB3 LYS 11 1HB LYS 11 -8.497 -0.608 -1.948 26 HG2 LYS 11 2HG LYS 11 -9.764 1.422 -1.632 27 HG3 LYS 11 1HG LYS 11 -11.256 0.495 -1.436 28 HD2 LYS 11 2HD LYS 11 -8.846 0.187 0.361 29 HD3 LYS 11 1HD LYS 11 -10.202 1.259 0.719 30 HE2 LYS 11 2HE LYS 11 -11.723 -0.595 0.804 31 HE3 LYS 11 1HE LYS 11 -10.495 -1.713 0.230 32 HZ1 LYS 11 3HZ LYS 11 -9.360 -1.591 2.254 33 HZ2 LYS 11 1HZ LYS 11 -10.972 -1.752 2.633 34 HZ3 LYS 11 2HZ LYS 11 -10.223 -0.245 2.809 35 HA PRO 12 HA PRO 12 -7.662 -3.537 -5.633 36 HB2 PRO 12 2HB PRO 12 -5.234 -1.989 -5.749 37 HB3 PRO 12 1HB PRO 12 -6.155 -2.727 -7.061 38 HG2 PRO 12 2HG PRO 12 -6.007 -0.002 -6.685 39 HG3 PRO 12 1HG PRO 12 -7.382 -0.807 -7.459 40 HD2 PRO 12 2HD PRO 12 -7.112 0.240 -4.676 41 HD3 PRO 12 1HD PRO 12 -8.529 0.204 -5.749 42 H LYS 13 H LYS 13 -6.633 -4.965 -4.488 43 HA LYS 13 HA LYS 13 -5.406 -4.057 -2.000 44 HB2 LYS 13 2HB LYS 13 -5.961 -6.294 -1.064 45 HB3 LYS 13 1HB LYS 13 -7.354 -5.284 -1.406 46 HG2 LYS 13 2HG LYS 13 -7.652 -6.577 -3.538 47 HG3 LYS 13 1HG LYS 13 -6.365 -7.649 -2.986 48 HD2 LYS 13 2HD LYS 13 -7.642 -8.164 -0.982 49 HD3 LYS 13 1HD LYS 13 -8.941 -7.104 -1.525 50 HE2 LYS 13 2HE LYS 13 -7.972 -9.571 -2.962 51 HE3 LYS 13 1HE LYS 13 -9.426 -9.471 -1.972 52 HZ1 LYS 13 3HZ LYS 13 -10.234 -7.741 -3.543 53 HZ2 LYS 13 1HZ LYS 13 -10.017 -9.257 -4.254 54 HZ3 LYS 13 2HZ LYS 13 -8.893 -8.024 -4.505 55 H CYS 14 H CYS 14 -3.413 -4.192 -1.974 56 HA CYS 14 HA CYS 14 -2.041 -5.633 -4.040 57 HB2 CYS 14 2HB CYS 14 -0.009 -4.504 -3.207 58 HB3 CYS 14 1HB CYS 14 -1.319 -3.384 -3.548 59 H ARG 15 H ARG 15 -0.596 -7.224 -3.814 60 HA ARG 15 HA ARG 15 -0.529 -8.626 -1.239 61 HB2 ARG 15 2HB ARG 15 -0.217 -9.705 -4.066 62 HB3 ARG 15 1HB ARG 15 0.130 -10.654 -2.632 63 HG2 ARG 15 2HG ARG 15 -2.027 -11.314 -3.308 64 HG3 ARG 15 1HG ARG 15 -2.286 -10.243 -1.940 65 HD2 ARG 15 2HD ARG 15 -3.917 -9.692 -3.601 66 HD3 ARG 15 1HD ARG 15 -2.723 -8.395 -3.599 67 HE ARG 15 HE ARG 15 -2.104 -10.428 -5.486 68 HH11 ARG 15 1HH1 ARG 15 -4.068 -7.467 -5.107 69 HH12 ARG 15 2HH1 ARG 15 -4.326 -7.269 -6.763 70 HH21 ARG 15 1HH2 ARG 15 -2.502 -10.139 -7.758 71 HH22 ARG 15 2HH2 ARG 15 -3.413 -8.814 -8.311 72 H CYS 16 H CYS 16 1.007 -6.414 -1.843 73 HA CYS 16 HA CYS 16 3.631 -6.769 -2.683 74 HB2 CYS 16 2HB CYS 16 2.549 -4.981 -0.503 75 HB3 CYS 16 1HB CYS 16 4.183 -4.877 -1.133 76 H GLY 17 H GLY 17 5.541 -7.384 -1.655 77 HA2 GLY 17 2HA GLY 17 6.813 -8.084 0.176 78 HA3 GLY 17 1HA GLY 17 5.321 -8.428 1.056 79 H ILE 18 H ILE 18 3.943 -9.805 -0.837 80 HA ILE 18 HA ILE 18 5.321 -12.358 -0.732 81 HB ILE 18 HB ILE 18 2.543 -11.808 -1.806 82 HG12 ILE 18 2HG1 ILE 18 3.395 -12.361 1.050 83 HG13 ILE 18 1HG1 ILE 18 2.704 -10.881 0.432 84 HG21 ILE 18 1HG2 ILE 18 3.825 -14.284 -0.634 85 HG22 ILE 18 2HG2 ILE 18 3.501 -14.008 -2.339 86 HG23 ILE 18 3HG2 ILE 18 2.162 -14.164 -1.203 87 HD11 ILE 18 3HD1 ILE 18 0.606 -11.965 -0.049 88 HD12 ILE 18 1HD1 ILE 18 1.043 -12.201 1.645 89 HD13 ILE 18 2HD1 ILE 18 1.256 -13.517 0.482 90 H SER 19 H SER 19 3.732 -10.259 -3.105 91 HA SER 19 HA SER 19 4.582 -11.827 -5.336 92 HB2 SER 19 2HB SER 19 3.323 -9.091 -5.214 93 HB3 SER 19 1HB SER 19 3.444 -10.116 -6.644 94 HG SER 19 HG SER 19 1.557 -10.694 -5.953 95 H GLY 20 H GLY 20 6.146 -9.435 -3.489 96 HA2 GLY 20 2HA GLY 20 8.480 -9.444 -4.968 97 HA3 GLY 20 1HA GLY 20 7.543 -8.062 -5.532 98 H SER 21 H SER 21 10.056 -7.968 -4.169 99 HA SER 21 HA SER 21 9.297 -6.225 -1.991 100 HB2 SER 21 2HB SER 21 11.286 -8.476 -1.561 101 HB3 SER 21 1HB SER 21 10.791 -7.268 -0.378 102 HG SER 21 HG SER 21 8.573 -8.320 -1.159 103 H SER 22 H SER 22 10.169 -4.493 -3.043 104 HA SER 22 HA SER 22 12.815 -4.598 -4.159 105 HB2 SER 22 2HB SER 22 10.884 -3.126 -4.980 106 HB3 SER 22 1HB SER 22 11.097 -2.166 -3.522 107 HG SER 22 HG SER 22 13.394 -1.961 -4.352 108 H ASN 23 H ASN 23 11.224 -2.900 -1.485 109 HA ASN 23 HA ASN 23 13.406 -3.442 0.305 110 HB2 ASN 23 2HB ASN 23 14.088 -1.260 -0.540 111 HB3 ASN 23 1HB ASN 23 12.449 -0.634 -0.385 112 HD21 ASN 23 1HD2 ASN 23 15.367 -1.516 1.300 113 HD22 ASN 23 2HD2 ASN 23 14.997 -0.731 2.780 114 H THR 24 H THR 24 12.413 -4.193 2.073 115 HA THR 24 HA THR 24 9.619 -4.353 2.173 116 HB THR 24 HB THR 24 11.557 -4.999 4.407 117 HG1 THR 24 1HG THR 24 10.686 -6.816 2.434 118 HG21 THR 24 3HG2 THR 24 8.905 -6.217 3.574 119 HG22 THR 24 1HG2 THR 24 9.151 -5.174 4.975 120 HG23 THR 24 2HG2 THR 24 9.909 -6.769 4.908 121 H LEU 25 H LEU 25 11.585 -1.786 3.186 122 HA LEU 25 HA LEU 25 9.642 -0.965 5.195 123 HB2 LEU 25 2HB LEU 25 12.321 0.227 4.454 124 HB3 LEU 25 1HB LEU 25 11.226 0.951 5.604 125 HG LEU 25 HG LEU 25 11.466 -1.160 6.989 126 HD11 LEU 25 1HD1 LEU 25 13.784 -1.684 5.140 127 HD12 LEU 25 2HD1 LEU 25 12.328 -2.661 5.295 128 HD13 LEU 25 3HD1 LEU 25 13.450 -2.536 6.648 129 HD21 LEU 25 3HD2 LEU 25 13.913 0.526 6.513 130 HD22 LEU 25 1HD2 LEU 25 13.611 -0.466 7.939 131 HD23 LEU 25 2HD2 LEU 25 12.566 0.908 7.586 132 H THR 26 H THR 26 10.041 -0.742 1.924 133 HA THR 26 HA THR 26 8.466 1.740 1.833 134 HB THR 26 HB THR 26 10.633 1.186 -0.222 135 HG1 THR 26 1HG THR 26 11.550 1.291 1.927 136 HG21 THR 26 3HG2 THR 26 10.523 3.613 -0.542 137 HG22 THR 26 1HG2 THR 26 9.362 3.752 0.780 138 HG23 THR 26 2HG2 THR 26 8.912 2.913 -0.704 139 H THR 27 H THR 27 8.107 -1.350 1.483 140 HA THR 27 HA THR 27 7.702 -2.189 -1.078 141 HB THR 27 HB THR 27 5.759 -2.920 1.073 142 HG1 THR 27 1HG THR 27 7.299 -3.616 2.353 143 HG21 THR 27 3HG2 THR 27 6.132 -5.126 0.245 144 HG22 THR 27 1HG2 THR 27 7.546 -4.594 -0.686 145 HG23 THR 27 2HG2 THR 27 5.948 -4.057 -1.159 146 H CYS 28 H CYS 28 5.224 -0.940 1.103 147 HA CYS 28 HA CYS 28 3.458 -0.477 -1.113 148 HB2 CYS 28 2HB CYS 28 2.986 -0.350 1.848 149 HB3 CYS 28 1HB CYS 28 1.771 0.119 0.659 150 H ARG 29 H ARG 29 5.844 1.291 0.135 151 HA ARG 29 HA ARG 29 4.362 3.829 0.048 152 HB2 ARG 29 2HB ARG 29 5.778 3.237 2.072 153 HB3 ARG 29 1HB ARG 29 7.185 3.391 1.033 154 HG2 ARG 29 2HG ARG 29 6.645 5.726 0.626 155 HG3 ARG 29 1HG ARG 29 5.212 5.582 1.644 156 HD2 ARG 29 2HD ARG 29 6.694 4.969 3.536 157 HD3 ARG 29 1HD ARG 29 8.084 5.266 2.490 158 HE ARG 29 HE ARG 29 6.292 7.473 2.575 159 HH11 ARG 29 1HH1 ARG 29 9.005 5.977 4.275 160 HH12 ARG 29 2HH1 ARG 29 9.498 7.385 5.061 161 HH21 ARG 29 1HH2 ARG 29 6.881 9.405 3.681 162 HH22 ARG 29 2HH2 ARG 29 8.206 9.425 4.733 163 H ASN 30 H ASN 30 5.701 2.021 -2.178 164 HA ASN 30 HA ASN 30 7.043 4.309 -3.383 165 HB2 ASN 30 2HB ASN 30 8.639 2.942 -4.507 166 HB3 ASN 30 1HB ASN 30 8.505 2.244 -2.913 167 HD21 ASN 30 1HD2 ASN 30 7.619 0.230 -2.671 168 HD22 ASN 30 2HD2 ASN 30 7.273 -0.803 -4.011 169 H SER 31 H SER 31 6.985 4.222 -5.844 170 HA SER 31 HA SER 31 4.372 4.697 -6.627 171 HB2 SER 31 2HB SER 31 6.758 4.185 -8.390 172 HB3 SER 31 1HB SER 31 5.323 5.146 -8.771 173 HG SER 31 HG SER 31 5.890 6.444 -6.930 174 H ARG 32 H ARG 32 6.069 1.683 -6.628 175 HA ARG 32 HA ARG 32 4.496 0.538 -8.730 176 HB2 ARG 32 2HB ARG 32 6.644 -0.522 -6.930 177 HB3 ARG 32 1HB ARG 32 5.769 -1.530 -8.077 178 HG2 ARG 32 2HG ARG 32 6.583 -0.273 -9.922 179 HG3 ARG 32 1HG ARG 32 7.248 0.962 -8.861 180 HD2 ARG 32 2HD ARG 32 8.182 -1.897 -8.754 181 HD3 ARG 32 1HD ARG 32 8.908 -0.714 -9.842 182 HE ARG 32 HE ARG 32 8.934 0.513 -7.432 183 HH11 ARG 32 1HH1 ARG 32 10.209 -2.639 -8.487 184 HH12 ARG 32 2HH1 ARG 32 11.529 -2.585 -7.415 185 HH21 ARG 32 1HH2 ARG 32 10.752 0.585 -6.059 186 HH22 ARG 32 2HH2 ARG 32 11.822 -0.746 -5.969 187 H CYS 33 H CYS 33 3.741 1.250 -5.631 188 HA CYS 33 HA CYS 33 2.164 -1.176 -5.298 189 HB2 CYS 33 2HB CYS 33 3.373 -0.378 -3.300 190 HB3 CYS 33 1HB CYS 33 2.533 1.165 -3.405 191 HA PRO 34 HA PRO 34 -1.190 0.962 -7.318 192 HB2 PRO 34 2HB PRO 34 -3.177 -0.814 -6.679 193 HB3 PRO 34 1HB PRO 34 -2.009 -1.080 -7.978 194 HG2 PRO 34 2HG PRO 34 -1.996 -2.132 -5.178 195 HG3 PRO 34 1HG PRO 34 -1.631 -2.984 -6.686 196 HD2 PRO 34 2HD PRO 34 0.313 -2.113 -5.064 197 HD3 PRO 34 1HD PRO 34 0.508 -2.072 -6.829 198 H CYS 35 H CYS 35 -1.045 0.251 -4.004 199 HA CYS 35 HA CYS 35 -3.434 1.690 -3.382 200 HB2 CYS 35 2HB CYS 35 -1.253 0.641 -1.598 201 HB3 CYS 35 1HB CYS 35 -2.666 1.502 -0.997 202 H TYR 36 H TYR 36 -0.035 2.237 -2.696 203 HA TYR 36 HA TYR 36 -0.103 4.785 -1.685 204 HB2 TYR 36 2HB TYR 36 1.881 3.433 -1.643 205 HB3 TYR 36 1HB TYR 36 1.964 3.420 -3.398 206 HD1 TYR 36 1HD TYR 36 2.433 5.496 -0.387 207 HD2 TYR 36 2HD TYR 36 2.991 5.210 -4.590 208 HE1 TYR 36 1HE TYR 36 3.938 7.438 -0.320 209 HE2 TYR 36 2HE TYR 36 4.477 7.133 -4.550 210 HH TYR 36 HH TYR 36 4.905 9.046 -3.157 211 H LYS 37 H LYS 37 0.412 3.857 -5.062 212 HA LYS 37 HA LYS 37 0.730 6.524 -5.965 213 HB2 LYS 37 2HB LYS 37 1.761 4.478 -6.956 214 HB3 LYS 37 1HB LYS 37 0.168 4.050 -7.565 215 HG2 LYS 37 2HG LYS 37 0.158 6.183 -8.849 216 HG3 LYS 37 1HG LYS 37 1.812 6.450 -8.291 217 HD2 LYS 37 2HD LYS 37 1.786 5.481 -10.547 218 HD3 LYS 37 1HD LYS 37 2.524 4.381 -9.382 219 HE2 LYS 37 2HE LYS 37 0.469 3.086 -9.253 220 HE3 LYS 37 1HE LYS 37 -0.343 4.230 -10.323 221 HZ1 LYS 37 3HZ LYS 37 0.301 2.336 -11.555 222 HZ2 LYS 37 1HZ LYS 37 1.915 2.424 -11.023 223 HZ3 LYS 37 2HZ LYS 37 1.292 3.611 -12.023 224 H SER 38 H SER 38 -2.050 4.377 -5.764 225 HA SER 38 HA SER 38 -3.595 6.299 -7.329 226 HB2 SER 38 2HB SER 38 -4.296 3.461 -6.556 227 HB3 SER 38 1HB SER 38 -5.261 4.517 -7.587 228 HG SER 38 HG SER 38 -4.113 3.845 -9.150 229 H TYR 39 H TYR 39 -2.800 6.233 -4.316 230 HA TYR 39 HA TYR 39 -3.602 7.165 -2.408 231 HB2 TYR 39 2HB TYR 39 -5.941 8.018 -4.134 232 HB3 TYR 39 1HB TYR 39 -5.635 8.588 -2.500 233 HD1 TYR 39 2HD TYR 39 -3.495 9.889 -2.077 234 HD2 TYR 39 1HD TYR 39 -4.943 9.056 -5.980 235 HE1 TYR 39 2HE TYR 39 -2.110 11.715 -2.969 236 HE2 TYR 39 1HE TYR 39 -3.568 10.878 -6.889 237 HH TYR 39 HH TYR 39 -1.076 12.337 -5.198 238 H ASN 40 H ASN 40 -4.189 4.400 -2.870 239 HA ASN 40 HA ASN 40 -6.755 4.131 -1.464 240 HB2 ASN 40 2HB ASN 40 -5.134 1.893 -2.732 241 HB3 ASN 40 1HB ASN 40 -6.661 1.718 -1.899 242 HD21 ASN 40 1HD2 ASN 40 -5.120 2.537 -4.855 243 HD22 ASN 40 2HD2 ASN 40 -6.575 2.805 -5.739 244 H SER 41 H SER 41 -6.816 2.499 0.270 245 HA SER 41 HA SER 41 -4.607 3.011 2.046 246 HB2 SER 41 2HB SER 41 -6.390 2.172 3.656 247 HB3 SER 41 1HB SER 41 -6.672 3.719 2.847 248 HG SER 41 HG SER 41 -8.402 1.831 2.852 249 H CYS 42 H CYS 42 -3.620 1.304 3.165 250 HA CYS 42 HA CYS 42 -4.110 -1.299 2.027 251 HB2 CYS 42 2HB CYS 42 -1.813 -0.303 3.678 252 HB3 CYS 42 1HB CYS 42 -2.116 -2.028 3.510 253 H ALA 43 H ALA 43 -6.097 -1.148 2.914 254 HA ALA 43 HA ALA 43 -6.171 -2.514 5.495 255 HB1 ALA 43 1HB ALA 43 -8.174 -0.500 4.429 256 HB2 ALA 43 2HB ALA 43 -7.104 -0.262 5.812 257 HB3 ALA 43 3HB ALA 43 -8.389 -1.467 5.890 258 H GLY 44 H GLY 44 -6.593 -4.510 4.936 259 HA2 GLY 44 2HA GLY 44 -8.105 -6.161 4.099 260 HA3 GLY 44 1HA GLY 44 -8.617 -5.008 2.866 261 H CYS 45 H CYS 45 -5.328 -4.889 3.282 262 HA CYS 45 HA CYS 45 -4.892 -6.345 0.788 263 HB2 CYS 45 2HB CYS 45 -3.049 -4.497 2.329 264 HB3 CYS 45 1HB CYS 45 -2.682 -5.252 0.792 265 H HIS 46 H HIS 46 -3.080 -7.784 0.661 266 HA HIS 46 HA HIS 46 -2.547 -9.098 3.231 267 HB2 HIS 46 2HB HIS 46 -2.830 -10.216 0.448 268 HB3 HIS 46 1HB HIS 46 -1.930 -11.101 1.674 269 HD1 HIS 46 1HD HIS 46 -3.559 -13.002 2.006 270 HD2 HIS 46 2HD HIS 46 -5.347 -9.281 2.415 271 HE1 HIS 46 1HE HIS 46 -5.840 -13.452 2.945 272 HE2 HIS 46 2HE HIS 46 -6.965 -11.198 3.004 273 H CYS 47 H CYS 47 -1.254 -6.853 2.128 274 HA CYS 47 HA CYS 47 1.285 -7.614 1.150 275 HB2 CYS 47 2HB CYS 47 1.880 -5.227 1.660 276 HB3 CYS 47 1HB CYS 47 0.572 -5.495 0.514 277 H VAL 48 H VAL 48 3.007 -8.024 2.097 278 HA VAL 48 HA VAL 48 3.147 -8.105 5.042 279 HB VAL 48 HB VAL 48 4.827 -9.618 2.997 280 HG11 VAL 48 1HG1 VAL 48 5.647 -10.924 4.897 281 HG12 VAL 48 2HG1 VAL 48 4.703 -9.920 5.995 282 HG13 VAL 48 3HG1 VAL 48 6.037 -9.213 5.083 283 HG21 VAL 48 3HG2 VAL 48 2.524 -10.417 3.001 284 HG22 VAL 48 1HG2 VAL 48 2.584 -10.618 4.753 285 HG23 VAL 48 2HG2 VAL 48 3.601 -11.617 3.715 286 H GLY 49 H GLY 49 4.540 -6.749 6.009 287 HA2 GLY 49 2HA GLY 49 6.274 -5.248 6.277 288 HA3 GLY 49 1HA GLY 49 6.909 -5.780 4.721 289 H CYS 50 H CYS 50 3.894 -4.269 5.772 290 HA CYS 50 HA CYS 50 3.944 -2.620 3.420 291 HB2 CYS 50 2HB CYS 50 1.872 -3.669 3.756 292 HB3 CYS 50 1HB CYS 50 1.867 -3.305 5.476 293 H LYS 51 H LYS 51 4.772 -0.648 3.587 294 HA LYS 51 HA LYS 51 4.086 0.851 5.999 295 HB2 LYS 51 2HB LYS 51 6.448 1.240 4.130 296 HB3 LYS 51 1HB LYS 51 5.991 2.360 5.398 297 HG2 LYS 51 2HG LYS 51 6.830 -0.494 5.837 298 HG3 LYS 51 1HG LYS 51 7.883 0.913 6.001 299 HD2 LYS 51 2HD LYS 51 6.384 1.788 7.762 300 HD3 LYS 51 1HD LYS 51 5.391 0.340 7.611 301 HE2 LYS 51 2HE LYS 51 7.237 -1.054 8.281 302 HE3 LYS 51 1HE LYS 51 8.312 0.345 8.326 303 HZ1 LYS 51 3HZ LYS 51 7.016 1.239 10.129 304 HZ2 LYS 51 1HZ LYS 51 7.552 -0.315 10.503 305 HZ3 LYS 51 2HZ LYS 51 5.939 -0.060 10.071 306 H ASN 52 H ASN 52 2.170 1.483 5.205 307 HA ASN 52 HA ASN 52 2.275 2.968 2.694 308 HB2 ASN 52 2HB ASN 52 0.636 0.998 2.896 309 HB3 ASN 52 1HB ASN 52 -0.255 2.010 4.028 310 HD21 ASN 52 1HD2 ASN 52 -1.316 1.076 1.616 311 HD22 ASN 52 2HD2 ASN 52 -1.632 2.460 0.632 312 HA PRO 53 HA PRO 53 1.654 6.403 5.544 313 HB2 PRO 53 2HB PRO 53 1.744 8.341 3.606 314 HB3 PRO 53 1HB PRO 53 3.188 7.651 4.352 315 HG2 PRO 53 2HG PRO 53 1.942 7.047 1.716 316 HG3 PRO 53 1HG PRO 53 3.655 7.126 2.158 317 HD2 PRO 53 2HD PRO 53 2.271 4.804 1.837 318 HD3 PRO 53 1HD PRO 53 3.669 4.947 2.924 319 H HIS 54 H HIS 54 -0.181 5.262 2.936 320 HA HIS 54 HA HIS 54 -2.361 7.140 3.373 321 HB2 HIS 54 2HB HIS 54 -2.112 4.952 1.291 322 HB3 HIS 54 1HB HIS 54 -3.450 6.078 1.426 323 HD1 HIS 54 1HD HIS 54 -3.153 8.350 0.333 324 HD2 HIS 54 2HD HIS 54 0.310 6.078 0.338 325 HE1 HIS 54 1HE HIS 54 -1.575 9.531 -1.208 326 HE2 HIS 54 2HE HIS 54 0.421 8.057 -1.352 327 H LYS 55 H LYS 55 -3.246 6.559 5.160 328 HA LYS 55 HA LYS 55 -4.099 3.814 5.545 329 HB2 LYS 55 2HB LYS 55 -5.019 4.723 7.799 330 HB3 LYS 55 1HB LYS 55 -3.287 4.551 7.636 331 HG2 LYS 55 2HG LYS 55 -4.638 7.181 7.133 332 HG3 LYS 55 1HG LYS 55 -4.218 6.667 8.768 333 HD2 LYS 55 2HD LYS 55 -1.891 6.468 8.142 334 HD3 LYS 55 1HD LYS 55 -2.250 6.852 6.470 335 HE2 LYS 55 2HE LYS 55 -3.044 9.071 7.212 336 HE3 LYS 55 1HE LYS 55 -2.564 8.641 8.854 337 HZ1 LYS 55 3HZ LYS 55 -0.743 8.762 6.513 338 HZ2 LYS 55 1HZ LYS 55 -0.283 8.376 8.081 339 HZ3 LYS 55 2HZ LYS 55 -0.830 9.918 7.720 340 H GLU 56 H GLU 56 -6.482 3.786 6.564 341 HA GLU 56 HA GLU 56 -7.888 4.606 4.223 342 HB2 GLU 56 2HB GLU 56 -8.130 2.341 5.210 343 HB3 GLU 56 1HB GLU 56 -8.969 3.078 6.568 344 HG2 GLU 56 2HG GLU 56 -10.815 3.638 5.290 345 HG3 GLU 56 1HG GLU 56 -9.912 3.537 3.777 346 H ASP 57 H ASP 57 -8.269 6.592 4.115 347 HA ASP 57 HA ASP 57 -9.488 8.055 6.305 348 HB2 ASP 57 2HB ASP 57 -7.776 9.129 4.763 349 HB3 ASP 57 1HB ASP 57 -8.988 8.910 3.493 350 H TYR 58 H TYR 58 -11.510 7.903 6.537 351 HA TYR 58 HA TYR 58 -13.324 7.822 4.259 352 HB2 TYR 58 2HB TYR 58 -12.722 5.461 4.895 353 HB3 TYR 58 1HB TYR 58 -13.390 5.776 6.485 354 HD1 TYR 58 1HD TYR 58 -14.169 5.358 2.925 355 HD2 TYR 58 2HD TYR 58 -15.780 5.716 6.842 356 HE1 TYR 58 1HE TYR 58 -16.338 4.576 2.097 357 HE2 TYR 58 2HE TYR 58 -17.963 4.942 6.021 358 HH TYR 58 HH TYR 58 -19.208 4.703 4.005 359 H VAL 59 H VAL 59 -14.944 9.189 4.711 360 HA VAL 59 HA VAL 59 -15.094 10.157 7.391 361 HB VAL 59 HB VAL 59 -16.749 11.871 6.480 362 HG11 VAL 59 1HG1 VAL 59 -15.011 13.207 5.363 363 HG12 VAL 59 2HG1 VAL 59 -13.994 11.772 5.253 364 HG13 VAL 59 3HG1 VAL 59 -14.422 12.435 6.832 365 HG21 VAL 59 3HG2 VAL 59 -17.472 10.670 4.469 366 HG22 VAL 59 1HG2 VAL 59 -15.833 10.764 3.826 367 HG23 VAL 59 2HG2 VAL 59 -16.776 12.236 4.050 Start of MODEL 6 1 H1 SER 8 1HT SER 8 -16.772 4.923 1.157 2 H2 SER 8 2HT SER 8 -17.347 3.535 0.370 3 H3 SER 8 3HT SER 8 -17.116 4.941 -0.492 4 HA SER 8 HA SER 8 -14.769 4.806 -0.193 5 HB2 SER 8 2HB SER 8 -14.915 3.635 2.054 6 HB3 SER 8 1HB SER 8 -15.376 2.174 1.196 7 HG SER 8 HG SER 8 -12.888 3.545 1.134 8 HA PRO 9 HA PRO 9 -15.819 2.656 -4.061 9 HB2 PRO 9 2HB PRO 9 -13.148 3.745 -4.761 10 HB3 PRO 9 1HB PRO 9 -14.675 3.907 -5.630 11 HG2 PRO 9 2HG PRO 9 -13.611 5.964 -4.305 12 HG3 PRO 9 1HG PRO 9 -15.363 5.708 -4.354 13 HD2 PRO 9 2HD PRO 9 -13.431 5.150 -2.144 14 HD3 PRO 9 1HD PRO 9 -15.099 5.756 -2.088 15 HA PRO 10 HA PRO 10 -13.487 -1.023 -3.292 16 HB2 PRO 10 2HB PRO 10 -13.090 -1.800 -5.968 17 HB3 PRO 10 1HB PRO 10 -14.450 -2.262 -4.943 18 HG2 PRO 10 2HG PRO 10 -14.268 -0.121 -7.000 19 HG3 PRO 10 1HG PRO 10 -15.653 -1.134 -6.545 20 HD2 PRO 10 2HD PRO 10 -15.449 1.444 -5.810 21 HD3 PRO 10 1HD PRO 10 -16.197 0.222 -4.763 22 H LYS 11 H LYS 11 -11.390 -1.200 -2.828 23 HA LYS 11 HA LYS 11 -9.570 0.354 -4.475 24 HB2 LYS 11 2HB LYS 11 -8.154 0.689 -2.533 25 HB3 LYS 11 1HB LYS 11 -9.777 1.245 -2.208 26 HG2 LYS 11 2HG LYS 11 -10.196 -0.767 -0.879 27 HG3 LYS 11 1HG LYS 11 -8.556 -1.330 -1.226 28 HD2 LYS 11 2HD LYS 11 -7.688 0.791 -0.217 29 HD3 LYS 11 1HD LYS 11 -9.336 1.175 0.269 30 HE2 LYS 11 2HE LYS 11 -7.788 -1.269 1.109 31 HE3 LYS 11 1HE LYS 11 -7.990 0.187 2.075 32 HZ1 LYS 11 3HZ LYS 11 -10.361 -0.234 2.160 33 HZ2 LYS 11 1HZ LYS 11 -9.488 -1.553 2.719 34 HZ3 LYS 11 2HZ LYS 11 -10.194 -1.612 1.193 35 HA PRO 12 HA PRO 12 -7.425 -3.338 -5.574 36 HB2 PRO 12 2HB PRO 12 -4.867 -1.928 -5.370 37 HB3 PRO 12 1HB PRO 12 -5.651 -2.581 -6.801 38 HG2 PRO 12 2HG PRO 12 -5.446 0.066 -6.369 39 HG3 PRO 12 1HG PRO 12 -6.810 -0.665 -7.230 40 HD2 PRO 12 2HD PRO 12 -6.650 0.354 -4.434 41 HD3 PRO 12 1HD PRO 12 -7.983 0.435 -5.605 42 H LYS 13 H LYS 13 -6.333 -5.018 -4.618 43 HA LYS 13 HA LYS 13 -5.157 -4.467 -2.000 44 HB2 LYS 13 2HB LYS 13 -6.311 -7.133 -2.919 45 HB3 LYS 13 1HB LYS 13 -5.555 -6.781 -1.375 46 HG2 LYS 13 2HG LYS 13 -7.887 -6.903 -1.006 47 HG3 LYS 13 1HG LYS 13 -7.431 -5.204 -0.889 48 HD2 LYS 13 2HD LYS 13 -8.237 -4.848 -3.170 49 HD3 LYS 13 1HD LYS 13 -8.665 -6.553 -3.283 50 HE2 LYS 13 2HE LYS 13 -10.260 -6.280 -1.470 51 HE3 LYS 13 1HE LYS 13 -9.810 -4.581 -1.315 52 HZ1 LYS 13 3HZ LYS 13 -11.833 -4.876 -2.572 53 HZ2 LYS 13 1HZ LYS 13 -11.043 -5.806 -3.732 54 HZ3 LYS 13 2HZ LYS 13 -10.643 -4.174 -3.528 55 H CYS 14 H CYS 14 -3.123 -4.550 -2.055 56 HA CYS 14 HA CYS 14 -1.782 -5.873 -4.268 57 HB2 CYS 14 2HB CYS 14 0.201 -4.605 -3.506 58 HB3 CYS 14 1HB CYS 14 -1.176 -3.565 -3.842 59 H ARG 15 H ARG 15 -0.005 -7.252 -3.875 60 HA ARG 15 HA ARG 15 -0.168 -8.658 -1.302 61 HB2 ARG 15 2HB ARG 15 0.553 -9.744 -4.049 62 HB3 ARG 15 1HB ARG 15 0.779 -10.644 -2.560 63 HG2 ARG 15 2HG ARG 15 -1.229 -11.443 -3.525 64 HG3 ARG 15 1HG ARG 15 -1.709 -10.418 -2.177 65 HD2 ARG 15 2HD ARG 15 -2.051 -8.565 -3.835 66 HD3 ARG 15 1HD ARG 15 -1.753 -9.738 -5.110 67 HE ARG 15 HE ARG 15 -3.823 -10.350 -3.188 68 HH11 ARG 15 1HH1 ARG 15 -3.029 -9.375 -6.491 69 HH12 ARG 15 2HH1 ARG 15 -4.635 -9.421 -7.055 70 HH21 ARG 15 1HH2 ARG 15 -6.045 -10.465 -3.984 71 HH22 ARG 15 2HH2 ARG 15 -6.370 -10.107 -5.605 72 H CYS 16 H CYS 16 1.295 -6.363 -1.833 73 HA CYS 16 HA CYS 16 4.000 -6.651 -2.370 74 HB2 CYS 16 2HB CYS 16 2.582 -4.751 -0.508 75 HB3 CYS 16 1HB CYS 16 4.279 -4.598 -0.929 76 H GLY 17 H GLY 17 5.708 -7.329 -1.254 77 HA2 GLY 17 2HA GLY 17 6.914 -7.760 0.768 78 HA3 GLY 17 1HA GLY 17 5.370 -8.039 1.578 79 H ILE 18 H ILE 18 4.124 -9.592 -0.223 80 HA ILE 18 HA ILE 18 5.468 -12.136 -0.001 81 HB ILE 18 HB ILE 18 2.952 -11.488 -1.595 82 HG12 ILE 18 2HG1 ILE 18 3.178 -12.163 1.354 83 HG13 ILE 18 1HG1 ILE 18 2.650 -10.646 0.668 84 HG21 ILE 18 1HG2 ILE 18 2.388 -13.847 -1.177 85 HG22 ILE 18 2HG2 ILE 18 3.903 -14.049 -0.301 86 HG23 ILE 18 3HG2 ILE 18 3.926 -13.691 -2.025 87 HD11 ILE 18 3HD1 ILE 18 0.676 -11.711 -0.283 88 HD12 ILE 18 1HD1 ILE 18 0.752 -11.941 1.462 89 HD13 ILE 18 2HD1 ILE 18 1.188 -13.263 0.382 90 H SER 19 H SER 19 4.278 -9.910 -2.409 91 HA SER 19 HA SER 19 6.386 -10.678 -4.281 92 HB2 SER 19 2HB SER 19 3.719 -9.355 -4.871 93 HB3 SER 19 1HB SER 19 4.869 -10.029 -6.031 94 HG SER 19 HG SER 19 4.335 -12.020 -5.467 95 H GLY 20 H GLY 20 7.935 -9.116 -3.765 96 HA2 GLY 20 2HA GLY 20 7.209 -6.350 -4.075 97 HA3 GLY 20 1HA GLY 20 7.650 -6.787 -2.430 98 H SER 21 H SER 21 8.775 -6.494 -5.722 99 HA SER 21 HA SER 21 11.487 -7.133 -5.009 100 HB2 SER 21 2HB SER 21 11.760 -6.543 -7.486 101 HB3 SER 21 1HB SER 21 10.750 -7.942 -7.095 102 HG SER 21 HG SER 21 9.320 -6.927 -8.260 103 H SER 22 H SER 22 9.478 -4.416 -5.026 104 HA SER 22 HA SER 22 11.583 -2.513 -5.643 105 HB2 SER 22 2HB SER 22 8.677 -2.032 -5.006 106 HB3 SER 22 1HB SER 22 9.804 -0.917 -5.786 107 HG SER 22 HG SER 22 8.757 -3.346 -6.806 108 H ASN 23 H ASN 23 12.343 -3.704 -3.438 109 HA ASN 23 HA ASN 23 13.234 -3.321 -1.388 110 HB2 ASN 23 2HB ASN 23 11.848 -0.631 -1.516 111 HB3 ASN 23 1HB ASN 23 12.927 -1.120 -0.221 112 HD21 ASN 23 1HD2 ASN 23 13.085 1.076 -2.119 113 HD22 ASN 23 2HD2 ASN 23 14.581 0.909 -2.938 114 H THR 24 H THR 24 12.556 -4.536 0.254 115 HA THR 24 HA THR 24 9.797 -4.770 0.834 116 HB THR 24 HB THR 24 10.685 -6.222 2.749 117 HG1 THR 24 1HG THR 24 12.734 -5.854 3.100 118 HG21 THR 24 3HG2 THR 24 9.902 -7.152 0.632 119 HG22 THR 24 1HG2 THR 24 11.331 -8.023 1.181 120 HG23 THR 24 2HG2 THR 24 11.467 -6.824 -0.107 121 H LEU 25 H LEU 25 11.937 -2.443 1.728 122 HA LEU 25 HA LEU 25 10.711 -1.940 4.344 123 HB2 LEU 25 2HB LEU 25 12.979 -0.518 2.931 124 HB3 LEU 25 1HB LEU 25 12.349 -0.050 4.488 125 HG LEU 25 HG LEU 25 14.382 -1.153 4.867 126 HD11 LEU 25 1HD1 LEU 25 13.805 -3.077 6.222 127 HD12 LEU 25 2HD1 LEU 25 12.198 -3.094 5.500 128 HD13 LEU 25 3HD1 LEU 25 12.713 -1.715 6.473 129 HD21 LEU 25 3HD2 LEU 25 14.923 -3.411 4.088 130 HD22 LEU 25 1HD2 LEU 25 14.666 -2.304 2.739 131 HD23 LEU 25 2HD2 LEU 25 13.410 -3.460 3.183 132 H THR 26 H THR 26 10.328 -1.119 1.098 133 HA THR 26 HA THR 26 8.790 1.296 1.768 134 HB THR 26 HB THR 26 10.535 1.083 -0.710 135 HG1 THR 26 1HG THR 26 11.198 2.250 1.798 136 HG21 THR 26 3HG2 THR 26 9.444 3.443 0.852 137 HG22 THR 26 1HG2 THR 26 8.797 2.836 -0.672 138 HG23 THR 26 2HG2 THR 26 10.414 3.546 -0.612 139 H THR 27 H THR 27 8.182 -1.554 1.240 140 HA THR 27 HA THR 27 7.588 -2.466 -1.192 141 HB THR 27 HB THR 27 5.574 -2.988 0.857 142 HG1 THR 27 1HG THR 27 7.017 -3.476 2.465 143 HG21 THR 27 3HG2 THR 27 7.787 -4.725 -0.259 144 HG22 THR 27 1HG2 THR 27 6.233 -4.478 -1.071 145 HG23 THR 27 2HG2 THR 27 6.276 -5.225 0.516 146 H CYS 28 H CYS 28 5.159 -1.062 0.941 147 HA CYS 28 HA CYS 28 3.426 -0.508 -1.293 148 HB2 CYS 28 2HB CYS 28 2.987 -0.369 1.670 149 HB3 CYS 28 1HB CYS 28 1.758 0.091 0.496 150 H ARG 29 H ARG 29 5.868 1.106 0.021 151 HA ARG 29 HA ARG 29 4.501 3.698 0.171 152 HB2 ARG 29 2HB ARG 29 5.837 2.780 2.119 153 HB3 ARG 29 1HB ARG 29 7.273 3.011 1.135 154 HG2 ARG 29 2HG ARG 29 6.829 5.400 1.042 155 HG3 ARG 29 1HG ARG 29 5.371 5.176 1.999 156 HD2 ARG 29 2HD ARG 29 6.741 4.254 3.825 157 HD3 ARG 29 1HD ARG 29 8.188 4.574 2.866 158 HE ARG 29 HE ARG 29 6.711 6.908 3.044 159 HH11 ARG 29 1HH1 ARG 29 8.608 4.791 5.154 160 HH12 ARG 29 2HH1 ARG 29 9.062 6.022 6.231 161 HH21 ARG 29 1HH2 ARG 29 7.287 8.606 4.573 162 HH22 ARG 29 2HH2 ARG 29 8.294 8.234 5.891 163 H ASN 30 H ASN 30 5.460 2.233 -2.308 164 HA ASN 30 HA ASN 30 6.954 4.512 -3.348 165 HB2 ASN 30 2HB ASN 30 8.389 3.154 -4.724 166 HB3 ASN 30 1HB ASN 30 8.510 2.536 -3.084 167 HD21 ASN 30 1HD2 ASN 30 7.670 0.500 -2.637 168 HD22 ASN 30 2HD2 ASN 30 7.195 -0.591 -3.874 169 H SER 31 H SER 31 6.832 4.576 -5.806 170 HA SER 31 HA SER 31 4.130 4.890 -6.414 171 HB2 SER 31 2HB SER 31 5.235 5.532 -8.660 172 HB3 SER 31 1HB SER 31 5.540 6.512 -7.219 173 HG SER 31 HG SER 31 7.506 6.085 -8.138 174 H ARG 32 H ARG 32 5.832 2.007 -6.577 175 HA ARG 32 HA ARG 32 4.464 1.142 -8.999 176 HB2 ARG 32 2HB ARG 32 6.374 -0.362 -7.210 177 HB3 ARG 32 1HB ARG 32 5.694 -0.974 -8.708 178 HG2 ARG 32 2HG ARG 32 6.867 0.736 -9.966 179 HG3 ARG 32 1HG ARG 32 7.495 1.423 -8.461 180 HD2 ARG 32 2HD ARG 32 8.593 -0.726 -7.980 181 HD3 ARG 32 1HD ARG 32 8.030 -1.337 -9.530 182 HE ARG 32 HE ARG 32 9.388 0.917 -10.169 183 HH11 ARG 32 1HH1 ARG 32 10.236 -1.959 -8.288 184 HH12 ARG 32 2HH1 ARG 32 11.873 -1.970 -8.715 185 HH21 ARG 32 1HH2 ARG 32 11.638 0.926 -10.790 186 HH22 ARG 32 2HH2 ARG 32 12.704 -0.269 -10.194 187 H CYS 33 H CYS 33 3.855 1.365 -5.722 188 HA CYS 33 HA CYS 33 2.313 -1.064 -5.564 189 HB2 CYS 33 2HB CYS 33 3.472 -0.231 -3.543 190 HB3 CYS 33 1HB CYS 33 2.510 1.243 -3.603 191 HA PRO 34 HA PRO 34 -1.080 0.835 -7.705 192 HB2 PRO 34 2HB PRO 34 -2.988 -1.032 -7.007 193 HB3 PRO 34 1HB PRO 34 -1.834 -1.227 -8.327 194 HG2 PRO 34 2HG PRO 34 -1.709 -2.282 -5.533 195 HG3 PRO 34 1HG PRO 34 -1.293 -3.098 -7.051 196 HD2 PRO 34 2HD PRO 34 0.591 -2.128 -5.445 197 HD3 PRO 34 1HD PRO 34 0.758 -2.016 -7.212 198 H CYS 35 H CYS 35 -1.165 0.071 -4.343 199 HA CYS 35 HA CYS 35 -3.615 1.470 -3.809 200 HB2 CYS 35 2HB CYS 35 -1.436 0.563 -1.935 201 HB3 CYS 35 1HB CYS 35 -2.995 1.207 -1.431 202 H TYR 36 H TYR 36 -0.274 2.103 -2.872 203 HA TYR 36 HA TYR 36 -0.351 4.571 -1.740 204 HB2 TYR 36 2HB TYR 36 1.615 3.161 -1.851 205 HB3 TYR 36 1HB TYR 36 1.701 3.377 -3.586 206 HD1 TYR 36 1HD TYR 36 2.261 4.978 -0.333 207 HD2 TYR 36 2HD TYR 36 2.737 5.334 -4.535 208 HE1 TYR 36 1HE TYR 36 3.861 6.813 0.008 209 HE2 TYR 36 2HE TYR 36 4.314 7.157 -4.238 210 HH TYR 36 HH TYR 36 5.670 7.856 -1.131 211 H LYS 37 H LYS 37 0.253 3.909 -5.143 212 HA LYS 37 HA LYS 37 0.514 6.565 -6.005 213 HB2 LYS 37 2HB LYS 37 1.151 4.204 -7.010 214 HB3 LYS 37 1HB LYS 37 -0.410 4.333 -7.782 215 HG2 LYS 37 2HG LYS 37 1.824 6.325 -8.109 216 HG3 LYS 37 1HG LYS 37 1.578 4.964 -9.181 217 HD2 LYS 37 2HD LYS 37 0.486 6.573 -10.404 218 HD3 LYS 37 1HD LYS 37 -0.851 6.059 -9.385 219 HE2 LYS 37 2HE LYS 37 -0.744 8.493 -9.482 220 HE3 LYS 37 1HE LYS 37 -0.385 7.925 -7.854 221 HZ1 LYS 37 3HZ LYS 37 1.148 9.669 -8.558 222 HZ2 LYS 37 1HZ LYS 37 1.635 8.727 -9.870 223 HZ3 LYS 37 2HZ LYS 37 1.960 8.219 -8.313 224 H SER 38 H SER 38 -2.256 4.382 -5.787 225 HA SER 38 HA SER 38 -3.960 6.289 -7.162 226 HB2 SER 38 2HB SER 38 -4.617 3.573 -6.033 227 HB3 SER 38 1HB SER 38 -5.619 4.531 -7.130 228 HG SER 38 HG SER 38 -3.512 2.915 -7.642 229 H TYR 39 H TYR 39 -2.804 6.476 -4.274 230 HA TYR 39 HA TYR 39 -3.360 7.521 -2.343 231 HB2 TYR 39 2HB TYR 39 -5.996 8.147 -3.698 232 HB3 TYR 39 1HB TYR 39 -5.405 8.891 -2.221 233 HD1 TYR 39 2HD TYR 39 -3.473 10.458 -2.331 234 HD2 TYR 39 1HD TYR 39 -5.269 8.857 -5.832 235 HE1 TYR 39 2HE TYR 39 -2.407 12.216 -3.677 236 HE2 TYR 39 1HE TYR 39 -4.216 10.602 -7.183 237 HH TYR 39 HH TYR 39 -3.376 12.856 -6.823 238 H ASN 40 H ASN 40 -4.139 4.677 -2.878 239 HA ASN 40 HA ASN 40 -6.372 4.506 -1.014 240 HB2 ASN 40 2HB ASN 40 -5.342 2.390 -2.912 241 HB3 ASN 40 1HB ASN 40 -6.523 2.065 -1.655 242 HD21 ASN 40 1HD2 ASN 40 -6.032 3.120 -4.811 243 HD22 ASN 40 2HD2 ASN 40 -7.643 3.647 -5.146 244 H SER 41 H SER 41 -6.367 2.934 0.598 245 HA SER 41 HA SER 41 -3.845 2.822 1.950 246 HB2 SER 41 2HB SER 41 -5.598 2.045 3.721 247 HB3 SER 41 1HB SER 41 -5.524 3.740 3.201 248 HG SER 41 HG SER 41 -7.601 2.119 3.040 249 H CYS 42 H CYS 42 -3.625 0.726 3.302 250 HA CYS 42 HA CYS 42 -4.141 -1.531 1.523 251 HB2 CYS 42 2HB CYS 42 -1.823 -0.994 3.337 252 HB3 CYS 42 1HB CYS 42 -2.161 -2.596 2.685 253 H ALA 43 H ALA 43 -5.611 -0.361 3.971 254 HA ALA 43 HA ALA 43 -5.648 -2.544 5.770 255 HB1 ALA 43 1HB ALA 43 -7.769 -1.541 6.598 256 HB2 ALA 43 2HB ALA 43 -7.738 -0.409 5.244 257 HB3 ALA 43 3HB ALA 43 -6.474 -0.354 6.469 258 H GLY 44 H GLY 44 -6.281 -4.505 5.212 259 HA2 GLY 44 2HA GLY 44 -8.015 -5.975 4.469 260 HA3 GLY 44 1HA GLY 44 -8.429 -4.778 3.244 261 H CYS 45 H CYS 45 -5.334 -4.487 2.898 262 HA CYS 45 HA CYS 45 -5.084 -6.436 0.788 263 HB2 CYS 45 2HB CYS 45 -2.992 -4.603 1.984 264 HB3 CYS 45 1HB CYS 45 -2.786 -5.573 0.543 265 H HIS 46 H HIS 46 -3.535 -8.109 0.759 266 HA HIS 46 HA HIS 46 -2.981 -9.186 3.418 267 HB2 HIS 46 2HB HIS 46 -2.934 -10.455 0.673 268 HB3 HIS 46 1HB HIS 46 -2.341 -11.283 2.099 269 HD1 HIS 46 1HD HIS 46 -4.048 -12.990 2.664 270 HD2 HIS 46 2HD HIS 46 -5.802 -9.381 1.608 271 HE1 HIS 46 1HE HIS 46 -6.512 -13.328 2.950 272 HE2 HIS 46 2HE HIS 46 -7.488 -11.033 2.606 273 H CYS 47 H CYS 47 -1.526 -7.007 2.001 274 HA CYS 47 HA CYS 47 1.047 -7.968 1.353 275 HB2 CYS 47 2HB CYS 47 1.730 -5.549 1.564 276 HB3 CYS 47 1HB CYS 47 0.519 -5.913 0.355 277 H VAL 48 H VAL 48 2.751 -8.245 2.452 278 HA VAL 48 HA VAL 48 2.597 -8.016 5.396 279 HB VAL 48 HB VAL 48 4.379 -9.879 3.798 280 HG11 VAL 48 1HG1 VAL 48 5.202 -9.365 6.026 281 HG12 VAL 48 2HG1 VAL 48 4.707 -11.049 5.909 282 HG13 VAL 48 3HG1 VAL 48 3.668 -9.882 6.728 283 HG21 VAL 48 3HG2 VAL 48 2.066 -10.514 3.393 284 HG22 VAL 48 1HG2 VAL 48 1.753 -10.552 5.131 285 HG23 VAL 48 2HG2 VAL 48 2.871 -11.711 4.403 286 H GLY 49 H GLY 49 3.953 -6.514 6.187 287 HA2 GLY 49 2HA GLY 49 5.925 -5.262 6.349 288 HA3 GLY 49 1HA GLY 49 6.459 -5.953 4.812 289 H CYS 50 H CYS 50 3.458 -4.383 5.675 290 HA CYS 50 HA CYS 50 3.613 -2.775 3.301 291 HB2 CYS 50 2HB CYS 50 1.512 -3.779 3.561 292 HB3 CYS 50 1HB CYS 50 1.451 -3.400 5.281 293 H LYS 51 H LYS 51 4.493 -0.830 3.466 294 HA LYS 51 HA LYS 51 3.878 0.724 5.874 295 HB2 LYS 51 2HB LYS 51 6.146 1.086 3.893 296 HB3 LYS 51 1HB LYS 51 5.870 2.081 5.308 297 HG2 LYS 51 2HG LYS 51 6.596 -0.845 5.318 298 HG3 LYS 51 1HG LYS 51 7.698 0.489 5.630 299 HD2 LYS 51 2HD LYS 51 5.268 -0.221 7.293 300 HD3 LYS 51 1HD LYS 51 6.941 -0.599 7.696 301 HE2 LYS 51 2HE LYS 51 7.457 1.807 7.781 302 HE3 LYS 51 1HE LYS 51 5.780 2.172 7.386 303 HZ1 LYS 51 3HZ LYS 51 6.735 0.791 9.830 304 HZ2 LYS 51 1HZ LYS 51 5.112 1.089 9.457 305 HZ3 LYS 51 2HZ LYS 51 6.169 2.370 9.730 306 H ASN 52 H ASN 52 1.923 1.414 5.085 307 HA ASN 52 HA ASN 52 2.047 2.950 2.594 308 HB2 ASN 52 2HB ASN 52 0.375 1.040 2.756 309 HB3 ASN 52 1HB ASN 52 -0.459 1.986 3.982 310 HD21 ASN 52 1HD2 ASN 52 -1.547 1.146 1.505 311 HD22 ASN 52 2HD2 ASN 52 -1.945 2.573 0.618 312 HA PRO 53 HA PRO 53 1.601 6.379 5.509 313 HB2 PRO 53 2HB PRO 53 2.065 8.362 3.723 314 HB3 PRO 53 1HB PRO 53 3.362 7.391 4.427 315 HG2 PRO 53 2HG PRO 53 2.046 7.147 1.756 316 HG3 PRO 53 1HG PRO 53 3.764 7.008 2.176 317 HD2 PRO 53 2HD PRO 53 2.144 4.859 1.750 318 HD3 PRO 53 1HD PRO 53 3.549 4.814 2.830 319 H HIS 54 H HIS 54 -0.347 5.387 3.008 320 HA HIS 54 HA HIS 54 -2.321 7.525 3.364 321 HB2 HIS 54 2HB HIS 54 -2.141 5.295 1.310 322 HB3 HIS 54 1HB HIS 54 -3.540 6.338 1.447 323 HD1 HIS 54 1HD HIS 54 -3.332 8.715 0.442 324 HD2 HIS 54 2HD HIS 54 0.172 6.486 0.225 325 HE1 HIS 54 1HE HIS 54 -1.827 9.969 -1.117 326 HE2 HIS 54 2HE HIS 54 0.196 8.542 -1.382 327 H LYS 55 H LYS 55 -4.452 6.947 4.055 328 HA LYS 55 HA LYS 55 -4.971 4.268 4.975 329 HB2 LYS 55 2HB LYS 55 -3.457 5.709 6.660 330 HB3 LYS 55 1HB LYS 55 -5.015 6.390 7.086 331 HG2 LYS 55 2HG LYS 55 -4.284 3.479 7.193 332 HG3 LYS 55 1HG LYS 55 -4.326 4.571 8.583 333 HD2 LYS 55 2HD LYS 55 -6.700 4.867 8.311 334 HD3 LYS 55 1HD LYS 55 -6.680 3.940 6.816 335 HE2 LYS 55 2HE LYS 55 -5.880 1.982 8.156 336 HE3 LYS 55 1HE LYS 55 -6.191 2.945 9.606 337 HZ1 LYS 55 3HZ LYS 55 -8.078 1.509 9.013 338 HZ2 LYS 55 1HZ LYS 55 -8.153 2.299 7.515 339 HZ3 LYS 55 2HZ LYS 55 -8.490 3.153 8.937 340 H GLU 56 H GLU 56 -7.290 4.029 5.039 341 HA GLU 56 HA GLU 56 -8.774 6.401 4.389 342 HB2 GLU 56 2HB GLU 56 -10.765 4.951 4.117 343 HB3 GLU 56 1HB GLU 56 -9.419 4.305 3.209 344 HG2 GLU 56 2HG GLU 56 -10.376 3.243 5.872 345 HG3 GLU 56 1HG GLU 56 -10.822 2.579 4.307 346 H ASP 57 H ASP 57 -8.901 7.716 6.015 347 HA ASP 57 HA ASP 57 -9.658 6.613 8.640 348 HB2 ASP 57 2HB ASP 57 -7.260 7.304 8.434 349 HB3 ASP 57 1HB ASP 57 -7.820 8.940 8.119 350 H TYR 58 H TYR 58 -11.268 7.662 9.714 351 HA TYR 58 HA TYR 58 -12.729 9.564 8.144 352 HB2 TYR 58 2HB TYR 58 -13.998 7.803 9.246 353 HB3 TYR 58 1HB TYR 58 -13.377 8.307 10.815 354 HD1 TYR 58 2HD TYR 58 -15.344 9.599 7.926 355 HD2 TYR 58 1HD TYR 58 -14.614 9.804 12.108 356 HE1 TYR 58 2HE TYR 58 -17.219 11.159 8.170 357 HE2 TYR 58 1HE TYR 58 -16.485 11.373 12.364 358 HH TYR 58 HH TYR 58 -17.669 12.984 10.966 359 H VAL 59 H VAL 59 -12.430 11.589 8.231 360 HA VAL 59 HA VAL 59 -11.295 12.826 10.618 361 HB VAL 59 HB VAL 59 -11.472 13.969 7.810 362 HG11 VAL 59 1HG1 VAL 59 -11.357 15.650 9.575 363 HG12 VAL 59 2HG1 VAL 59 -9.875 15.633 8.624 364 HG13 VAL 59 3HG1 VAL 59 -9.905 14.884 10.222 365 HG21 VAL 59 3HG2 VAL 59 -9.998 12.018 7.848 366 HG22 VAL 59 1HG2 VAL 59 -9.087 12.725 9.178 367 HG23 VAL 59 2HG2 VAL 59 -9.082 13.504 7.594 Start of MODEL 7 1 H1 SER 8 1HT SER 8 -19.493 -2.909 2.220 2 H2 SER 8 2HT SER 8 -20.265 -1.968 1.035 3 H3 SER 8 3HT SER 8 -20.516 -1.652 2.685 4 HA SER 8 HA SER 8 -19.034 -0.069 1.704 5 HB2 SER 8 2HB SER 8 -17.743 -1.973 3.664 6 HB3 SER 8 1HB SER 8 -17.333 -0.270 3.443 7 HG SER 8 HG SER 8 -19.127 -1.274 5.048 8 HA PRO 9 HA PRO 9 -16.441 -2.116 -1.327 9 HB2 PRO 9 2HB PRO 9 -15.728 0.059 -2.725 10 HB3 PRO 9 1HB PRO 9 -17.362 -0.611 -2.821 11 HG2 PRO 9 2HG PRO 9 -16.375 1.752 -1.286 12 HG3 PRO 9 1HG PRO 9 -17.883 1.552 -2.191 13 HD2 PRO 9 2HD PRO 9 -17.665 1.286 0.546 14 HD3 PRO 9 1HD PRO 9 -18.936 0.546 -0.449 15 HA PRO 10 HA PRO 10 -12.518 -1.182 0.773 16 HB2 PRO 10 2HB PRO 10 -11.544 -3.590 -0.567 17 HB3 PRO 10 1HB PRO 10 -11.721 -3.293 1.162 18 HG2 PRO 10 2HG PRO 10 -13.275 -5.048 -0.194 19 HG3 PRO 10 1HG PRO 10 -13.847 -4.157 1.227 20 HD2 PRO 10 2HD PRO 10 -14.364 -3.623 -1.675 21 HD3 PRO 10 1HD PRO 10 -15.461 -3.515 -0.279 22 H LYS 11 H LYS 11 -10.518 -0.526 -0.058 23 HA LYS 11 HA LYS 11 -10.661 0.242 -2.828 24 HB2 LYS 11 2HB LYS 11 -8.784 1.069 -0.583 25 HB3 LYS 11 1HB LYS 11 -8.633 1.671 -2.233 26 HG2 LYS 11 2HG LYS 11 -10.982 2.478 -2.087 27 HG3 LYS 11 1HG LYS 11 -10.997 2.015 -0.396 28 HD2 LYS 11 2HD LYS 11 -9.047 3.995 -1.564 29 HD3 LYS 11 1HD LYS 11 -10.608 4.457 -0.907 30 HE2 LYS 11 2HE LYS 11 -9.911 3.432 1.258 31 HE3 LYS 11 1HE LYS 11 -8.308 3.169 0.566 32 HZ1 LYS 11 3HZ LYS 11 -8.318 5.256 1.821 33 HZ2 LYS 11 1HZ LYS 11 -9.659 5.776 0.967 34 HZ3 LYS 11 2HZ LYS 11 -8.209 5.627 0.175 35 HA PRO 12 HA PRO 12 -8.005 -2.651 -4.760 36 HB2 PRO 12 2HB PRO 12 -5.893 -0.605 -5.124 37 HB3 PRO 12 1HB PRO 12 -6.581 -1.718 -6.304 38 HG2 PRO 12 2HG PRO 12 -7.353 0.831 -6.319 39 HG3 PRO 12 1HG PRO 12 -8.516 -0.474 -6.604 40 HD2 PRO 12 2HD PRO 12 -8.121 1.217 -4.191 41 HD3 PRO 12 1HD PRO 12 -9.614 0.507 -4.840 42 H LYS 13 H LYS 13 -6.411 -4.018 -4.376 43 HA LYS 13 HA LYS 13 -4.905 -3.572 -1.940 44 HB2 LYS 13 2HB LYS 13 -5.295 -6.077 -1.504 45 HB3 LYS 13 1HB LYS 13 -6.580 -4.936 -1.114 46 HG2 LYS 13 2HG LYS 13 -7.638 -6.770 -2.096 47 HG3 LYS 13 1HG LYS 13 -7.550 -5.585 -3.389 48 HD2 LYS 13 2HD LYS 13 -5.551 -6.741 -4.264 49 HD3 LYS 13 1HD LYS 13 -5.720 -7.952 -2.989 50 HE2 LYS 13 2HE LYS 13 -7.714 -7.348 -5.172 51 HE3 LYS 13 1HE LYS 13 -6.700 -8.783 -5.041 52 HZ1 LYS 13 3HZ LYS 13 -8.932 -9.250 -4.260 53 HZ2 LYS 13 1HZ LYS 13 -8.857 -8.001 -3.149 54 HZ3 LYS 13 2HZ LYS 13 -7.883 -9.347 -2.968 55 H CYS 14 H CYS 14 -3.055 -4.850 -1.573 56 HA CYS 14 HA CYS 14 -1.646 -5.546 -4.071 57 HB2 CYS 14 2HB CYS 14 0.298 -4.310 -3.166 58 HB3 CYS 14 1HB CYS 14 -1.114 -3.303 -3.402 59 H ARG 15 H ARG 15 0.325 -6.861 -3.698 60 HA ARG 15 HA ARG 15 0.222 -8.571 -1.284 61 HB2 ARG 15 2HB ARG 15 1.230 -9.145 -4.082 62 HB3 ARG 15 1HB ARG 15 1.486 -10.210 -2.718 63 HG2 ARG 15 2HG ARG 15 -0.932 -10.534 -2.530 64 HG3 ARG 15 1HG ARG 15 -1.176 -9.471 -3.923 65 HD2 ARG 15 2HD ARG 15 0.150 -10.962 -5.315 66 HD3 ARG 15 1HD ARG 15 0.481 -11.994 -3.930 67 HE ARG 15 HE ARG 15 -2.282 -11.727 -4.309 68 HH11 ARG 15 1HH1 ARG 15 0.534 -13.270 -5.802 69 HH12 ARG 15 2HH1 ARG 15 -0.344 -14.586 -6.440 70 HH21 ARG 15 1HH2 ARG 15 -3.494 -13.570 -5.213 71 HH22 ARG 15 2HH2 ARG 15 -2.660 -14.754 -6.102 72 H CYS 16 H CYS 16 1.613 -6.018 -1.483 73 HA CYS 16 HA CYS 16 4.333 -6.212 -2.148 74 HB2 CYS 16 2HB CYS 16 3.005 -4.385 -0.138 75 HB3 CYS 16 1HB CYS 16 4.613 -4.160 -0.826 76 H GLY 17 H GLY 17 6.170 -6.599 -0.915 77 HA2 GLY 17 2HA GLY 17 7.322 -7.122 1.105 78 HA3 GLY 17 1HA GLY 17 5.787 -7.610 1.817 79 H ILE 18 H ILE 18 4.939 -9.051 -0.464 80 HA ILE 18 HA ILE 18 6.435 -11.498 -0.079 81 HB ILE 18 HB ILE 18 3.976 -10.974 -1.780 82 HG12 ILE 18 2HG1 ILE 18 4.206 -11.948 1.075 83 HG13 ILE 18 1HG1 ILE 18 3.557 -10.413 0.548 84 HG21 ILE 18 1HG2 ILE 18 5.194 -13.008 -2.398 85 HG22 ILE 18 2HG2 ILE 18 3.657 -13.416 -1.634 86 HG23 ILE 18 3HG2 ILE 18 5.157 -13.547 -0.720 87 HD11 ILE 18 3HD1 ILE 18 1.730 -11.515 -0.580 88 HD12 ILE 18 1HD1 ILE 18 1.778 -11.960 1.126 89 HD13 ILE 18 2HD1 ILE 18 2.365 -13.088 -0.101 90 H SER 19 H SER 19 5.220 -9.523 -2.744 91 HA SER 19 HA SER 19 6.862 -10.622 -4.731 92 HB2 SER 19 2HB SER 19 5.484 -7.928 -4.609 93 HB3 SER 19 1HB SER 19 6.047 -8.750 -6.069 94 HG SER 19 HG SER 19 4.664 -10.507 -5.362 95 H GLY 20 H GLY 20 9.012 -10.544 -4.478 96 HA2 GLY 20 2HA GLY 20 11.008 -9.347 -4.940 97 HA3 GLY 20 1HA GLY 20 10.276 -7.906 -4.249 98 H SER 21 H SER 21 9.278 -9.820 -2.087 99 HA SER 21 HA SER 21 9.711 -10.217 0.027 100 HB2 SER 21 2HB SER 21 10.995 -12.102 -0.915 101 HB3 SER 21 1HB SER 21 12.438 -11.096 -0.976 102 HG SER 21 HG SER 21 11.165 -11.293 1.487 103 H SER 22 H SER 22 13.054 -9.113 -0.633 104 HA SER 22 HA SER 22 12.774 -7.404 1.673 105 HB2 SER 22 2HB SER 22 14.840 -8.797 1.348 106 HB3 SER 22 1HB SER 22 15.238 -7.789 -0.045 107 HG SER 22 HG SER 22 16.279 -6.781 1.534 108 H ASN 23 H ASN 23 11.401 -5.927 0.974 109 HA ASN 23 HA ASN 23 12.593 -3.593 -0.301 110 HB2 ASN 23 2HB ASN 23 11.318 -5.008 -2.109 111 HB3 ASN 23 1HB ASN 23 9.862 -4.596 -1.220 112 HD21 ASN 23 1HD2 ASN 23 9.174 -2.406 -1.241 113 HD22 ASN 23 2HD2 ASN 23 9.712 -1.298 -2.464 114 H THR 24 H THR 24 11.922 -4.638 2.222 115 HA THR 24 HA THR 24 9.355 -4.313 3.169 116 HB THR 24 HB THR 24 11.881 -4.217 4.805 117 HG1 THR 24 1HG THR 24 12.189 -6.306 4.305 118 HG21 THR 24 3HG2 THR 24 9.708 -3.958 5.975 119 HG22 THR 24 1HG2 THR 24 10.513 -5.471 6.394 120 HG23 THR 24 2HG2 THR 24 9.165 -5.473 5.256 121 H LEU 25 H LEU 25 11.980 -1.956 3.007 122 HA LEU 25 HA LEU 25 10.748 -0.188 4.897 123 HB2 LEU 25 2HB LEU 25 12.497 1.376 4.511 124 HB3 LEU 25 1HB LEU 25 13.211 -0.214 4.571 125 HG LEU 25 HG LEU 25 12.723 1.382 2.046 126 HD11 LEU 25 1HD1 LEU 25 14.394 2.429 3.413 127 HD12 LEU 25 2HD1 LEU 25 15.157 1.660 2.021 128 HD13 LEU 25 3HD1 LEU 25 15.239 0.894 3.609 129 HD21 LEU 25 3HD2 LEU 25 14.192 -0.254 0.967 130 HD22 LEU 25 1HD2 LEU 25 12.736 -1.022 1.598 131 HD23 LEU 25 2HD2 LEU 25 14.263 -1.184 2.467 132 H THR 26 H THR 26 10.487 -0.568 1.468 133 HA THR 26 HA THR 26 8.753 1.794 1.407 134 HB THR 26 HB THR 26 9.650 1.993 -1.026 135 HG1 THR 26 1HG THR 26 11.288 0.789 -1.510 136 HG21 THR 26 3HG2 THR 26 11.499 3.465 -0.263 137 HG22 THR 26 1HG2 THR 26 11.350 2.784 1.355 138 HG23 THR 26 2HG2 THR 26 10.022 3.719 0.666 139 H THR 27 H THR 27 8.055 -1.040 1.714 140 HA THR 27 HA THR 27 7.484 -2.534 -0.504 141 HB THR 27 HB THR 27 5.347 -2.977 1.085 142 HG1 THR 27 1HG THR 27 6.657 -2.728 3.256 143 HG21 THR 27 3HG2 THR 27 6.889 -4.692 0.491 144 HG22 THR 27 1HG2 THR 27 6.749 -4.673 2.238 145 HG23 THR 27 2HG2 THR 27 8.186 -3.971 1.460 146 H CYS 28 H CYS 28 5.113 -0.646 1.211 147 HA CYS 28 HA CYS 28 3.475 -0.593 -1.128 148 HB2 CYS 28 2HB CYS 28 2.911 0.076 1.729 149 HB3 CYS 28 1HB CYS 28 1.739 0.338 0.433 150 H ARG 29 H ARG 29 5.841 1.364 -0.083 151 HA ARG 29 HA ARG 29 4.345 3.861 -0.580 152 HB2 ARG 29 2HB ARG 29 5.949 3.363 1.471 153 HB3 ARG 29 1HB ARG 29 7.186 3.865 0.325 154 HG2 ARG 29 2HG ARG 29 5.801 5.952 -0.056 155 HG3 ARG 29 1HG ARG 29 4.854 5.467 1.345 156 HD2 ARG 29 2HD ARG 29 6.451 6.973 2.162 157 HD3 ARG 29 1HD ARG 29 7.064 5.372 2.603 158 HE ARG 29 HE ARG 29 8.026 6.235 0.073 159 HH11 ARG 29 1HH1 ARG 29 8.610 6.696 3.536 160 HH12 ARG 29 2HH1 ARG 29 10.243 7.136 3.327 161 HH21 ARG 29 1HH2 ARG 29 10.229 6.858 -0.190 162 HH22 ARG 29 2HH2 ARG 29 11.188 7.216 1.178 163 H ASN 30 H ASN 30 5.194 2.082 -2.787 164 HA ASN 30 HA ASN 30 6.721 4.116 -4.217 165 HB2 ASN 30 2HB ASN 30 8.203 2.541 -5.301 166 HB3 ASN 30 1HB ASN 30 8.295 2.241 -3.574 167 HD21 ASN 30 1HD2 ASN 30 7.433 0.317 -2.754 168 HD22 ASN 30 2HD2 ASN 30 7.005 -0.996 -3.774 169 H SER 31 H SER 31 6.683 3.398 -6.741 170 HA SER 31 HA SER 31 3.939 3.755 -7.352 171 HB2 SER 31 2HB SER 31 6.332 3.489 -9.169 172 HB3 SER 31 1HB SER 31 4.711 3.889 -9.713 173 HG SER 31 HG SER 31 6.253 5.374 -7.840 174 H ARG 32 H ARG 32 5.493 0.876 -6.806 175 HA ARG 32 HA ARG 32 4.000 -0.560 -8.849 176 HB2 ARG 32 2HB ARG 32 5.836 -1.617 -6.692 177 HB3 ARG 32 1HB ARG 32 5.092 -2.583 -7.960 178 HG2 ARG 32 2HG ARG 32 7.083 -0.361 -8.359 179 HG3 ARG 32 1HG ARG 32 7.411 -2.090 -8.492 180 HD2 ARG 32 2HD ARG 32 5.819 -2.253 -10.332 181 HD3 ARG 32 1HD ARG 32 5.478 -0.530 -10.199 182 HE ARG 32 HE ARG 32 8.184 -0.763 -10.537 183 HH11 ARG 32 1HH1 ARG 32 5.230 -1.480 -12.352 184 HH12 ARG 32 2HH1 ARG 32 5.946 -1.370 -13.886 185 HH21 ARG 32 1HH2 ARG 32 9.211 -0.602 -12.679 186 HH22 ARG 32 2HH2 ARG 32 8.278 -0.846 -14.072 187 H CYS 33 H CYS 33 3.437 0.647 -5.827 188 HA CYS 33 HA CYS 33 1.678 -1.518 -5.069 189 HB2 CYS 33 2HB CYS 33 3.128 -0.575 -3.336 190 HB3 CYS 33 1HB CYS 33 2.425 1.013 -3.597 191 HA PRO 34 HA PRO 34 -1.658 0.703 -7.157 192 HB2 PRO 34 2HB PRO 34 -3.629 -1.026 -6.370 193 HB3 PRO 34 1HB PRO 34 -2.523 -1.369 -7.713 194 HG2 PRO 34 2HG PRO 34 -2.383 -2.224 -4.851 195 HG3 PRO 34 1HG PRO 34 -2.171 -3.220 -6.308 196 HD2 PRO 34 2HD PRO 34 -0.086 -2.367 -4.930 197 HD3 PRO 34 1HD PRO 34 -0.031 -2.354 -6.706 198 H CYS 35 H CYS 35 -1.143 0.343 -3.908 199 HA CYS 35 HA CYS 35 -3.599 1.594 -3.143 200 HB2 CYS 35 2HB CYS 35 -1.233 0.808 -1.459 201 HB3 CYS 35 1HB CYS 35 -2.708 1.528 -0.819 202 H TYR 36 H TYR 36 -0.211 2.293 -2.499 203 HA TYR 36 HA TYR 36 -0.504 4.865 -1.529 204 HB2 TYR 36 2HB TYR 36 1.463 3.684 -1.091 205 HB3 TYR 36 1HB TYR 36 1.799 3.454 -2.797 206 HD1 TYR 36 2HD TYR 36 1.547 6.074 -0.181 207 HD2 TYR 36 1HD TYR 36 3.196 4.921 -3.917 208 HE1 TYR 36 2HE TYR 36 2.981 8.070 -0.162 209 HE2 TYR 36 1HE TYR 36 4.626 6.896 -3.920 210 HH TYR 36 HH TYR 36 4.591 9.131 -2.900 211 H LYS 37 H LYS 37 0.387 3.919 -4.846 212 HA LYS 37 HA LYS 37 0.764 6.623 -5.617 213 HB2 LYS 37 2HB LYS 37 1.822 4.565 -6.663 214 HB3 LYS 37 1HB LYS 37 0.290 4.309 -7.483 215 HG2 LYS 37 2HG LYS 37 0.488 6.498 -8.548 216 HG3 LYS 37 1HG LYS 37 2.029 6.748 -7.732 217 HD2 LYS 37 2HD LYS 37 2.872 4.690 -8.860 218 HD3 LYS 37 1HD LYS 37 1.365 4.640 -9.774 219 HE2 LYS 37 2HE LYS 37 3.034 5.707 -11.130 220 HE3 LYS 37 1HE LYS 37 1.860 6.914 -10.595 221 HZ1 LYS 37 3HZ LYS 37 4.521 6.465 -9.364 222 HZ2 LYS 37 1HZ LYS 37 3.431 7.680 -8.933 223 HZ3 LYS 37 2HZ LYS 37 4.147 7.688 -10.458 224 H SER 38 H SER 38 -1.997 4.598 -5.418 225 HA SER 38 HA SER 38 -3.560 6.433 -7.052 226 HB2 SER 38 2HB SER 38 -4.327 3.771 -5.840 227 HB3 SER 38 1HB SER 38 -5.258 4.699 -7.023 228 HG SER 38 HG SER 38 -2.862 4.441 -8.042 229 H TYR 39 H TYR 39 -2.471 6.395 -4.055 230 HA TYR 39 HA TYR 39 -2.981 7.304 -2.114 231 HB2 TYR 39 2HB TYR 39 -4.944 8.743 -3.869 232 HB3 TYR 39 1HB TYR 39 -4.871 9.080 -2.139 233 HD1 TYR 39 2HD TYR 39 -2.833 9.095 -5.266 234 HD2 TYR 39 1HD TYR 39 -3.160 10.416 -1.241 235 HE1 TYR 39 2HE TYR 39 -0.887 10.572 -5.591 236 HE2 TYR 39 1HE TYR 39 -1.229 11.880 -1.550 237 HH TYR 39 HH TYR 39 0.666 12.078 -2.919 238 H ASN 40 H ASN 40 -3.979 4.806 -2.548 239 HA ASN 40 HA ASN 40 -6.487 4.689 -1.004 240 HB2 ASN 40 2HB ASN 40 -4.983 2.587 -2.549 241 HB3 ASN 40 1HB ASN 40 -6.468 2.291 -1.657 242 HD21 ASN 40 1HD2 ASN 40 -5.659 2.137 -4.559 243 HD22 ASN 40 2HD2 ASN 40 -6.877 3.045 -5.364 244 H SER 41 H SER 41 -6.484 2.798 0.625 245 HA SER 41 HA SER 41 -3.996 2.854 2.127 246 HB2 SER 41 2HB SER 41 -5.585 2.307 4.006 247 HB3 SER 41 1HB SER 41 -5.789 3.910 3.292 248 HG SER 41 HG SER 41 -7.669 2.357 3.661 249 H CYS 42 H CYS 42 -3.802 0.807 3.516 250 HA CYS 42 HA CYS 42 -4.270 -1.420 1.736 251 HB2 CYS 42 2HB CYS 42 -2.355 -1.118 4.037 252 HB3 CYS 42 1HB CYS 42 -2.684 -2.677 3.287 253 H ALA 43 H ALA 43 -6.397 -1.221 2.257 254 HA ALA 43 HA ALA 43 -7.168 -2.646 4.718 255 HB1 ALA 43 1HB ALA 43 -8.870 -0.988 2.855 256 HB2 ALA 43 2HB ALA 43 -8.252 -0.467 4.423 257 HB3 ALA 43 3HB ALA 43 -9.429 -1.775 4.332 258 H GLY 44 H GLY 44 -7.087 -4.769 4.243 259 HA2 GLY 44 2HA GLY 44 -8.232 -6.666 3.385 260 HA3 GLY 44 1HA GLY 44 -8.810 -5.676 2.048 261 H CYS 45 H CYS 45 -5.590 -5.263 2.818 262 HA CYS 45 HA CYS 45 -4.792 -6.381 0.287 263 HB2 CYS 45 2HB CYS 45 -3.226 -4.887 2.366 264 HB3 CYS 45 1HB CYS 45 -2.567 -5.442 0.829 265 H HIS 46 H HIS 46 -2.674 -7.538 0.191 266 HA HIS 46 HA HIS 46 -2.662 -9.701 2.187 267 HB2 HIS 46 2HB HIS 46 -3.543 -10.108 -0.270 268 HB3 HIS 46 1HB HIS 46 -1.863 -9.963 -0.700 269 HD1 HIS 46 1HD HIS 46 -4.226 -12.308 1.066 270 HD2 HIS 46 2HD HIS 46 -0.236 -12.142 -0.069 271 HE1 HIS 46 1HE HIS 46 -3.340 -14.615 1.384 272 HE2 HIS 46 2HE HIS 46 -0.965 -14.521 0.563 273 H CYS 47 H CYS 47 -1.206 -7.183 2.106 274 HA CYS 47 HA CYS 47 1.445 -7.983 1.260 275 HB2 CYS 47 2HB CYS 47 2.046 -5.587 1.873 276 HB3 CYS 47 1HB CYS 47 1.088 -5.813 0.434 277 H VAL 48 H VAL 48 3.247 -7.759 2.550 278 HA VAL 48 HA VAL 48 2.739 -8.151 5.419 279 HB VAL 48 HB VAL 48 4.804 -9.528 3.661 280 HG11 VAL 48 1HG1 VAL 48 5.338 -10.885 5.618 281 HG12 VAL 48 2HG1 VAL 48 4.205 -9.946 6.585 282 HG13 VAL 48 3HG1 VAL 48 5.643 -9.173 5.916 283 HG21 VAL 48 3HG2 VAL 48 2.337 -10.683 4.975 284 HG22 VAL 48 1HG2 VAL 48 3.563 -11.600 4.100 285 HG23 VAL 48 2HG2 VAL 48 2.569 -10.421 3.247 286 H GLY 49 H GLY 49 3.765 -6.632 6.603 287 HA2 GLY 49 2HA GLY 49 5.336 -5.143 7.312 288 HA3 GLY 49 1HA GLY 49 6.441 -5.859 6.149 289 H CYS 50 H CYS 50 3.366 -4.178 5.629 290 HA CYS 50 HA CYS 50 4.667 -2.797 3.458 291 HB2 CYS 50 2HB CYS 50 2.586 -2.191 2.670 292 HB3 CYS 50 1HB CYS 50 2.336 -3.818 3.291 293 H LYS 51 H LYS 51 5.170 -0.732 3.415 294 HA LYS 51 HA LYS 51 4.390 0.900 5.724 295 HB2 LYS 51 2HB LYS 51 6.427 1.515 3.569 296 HB3 LYS 51 1HB LYS 51 6.168 2.430 5.042 297 HG2 LYS 51 2HG LYS 51 7.269 -0.366 4.842 298 HG3 LYS 51 1HG LYS 51 8.189 1.103 5.169 299 HD2 LYS 51 2HD LYS 51 6.881 1.405 7.250 300 HD3 LYS 51 1HD LYS 51 6.047 -0.114 6.912 301 HE2 LYS 51 2HE LYS 51 9.010 0.211 7.314 302 HE3 LYS 51 1HE LYS 51 7.883 -0.404 8.515 303 HZ1 LYS 51 3HZ LYS 51 7.410 -2.274 7.047 304 HZ2 LYS 51 1HZ LYS 51 9.049 -2.176 7.400 305 HZ3 LYS 51 2HZ LYS 51 8.509 -1.690 5.889 306 H ASN 52 H ASN 52 2.286 1.410 5.049 307 HA ASN 52 HA ASN 52 2.149 2.924 2.561 308 HB2 ASN 52 2HB ASN 52 0.575 0.938 2.770 309 HB3 ASN 52 1HB ASN 52 -0.181 1.760 4.125 310 HD21 ASN 52 1HD2 ASN 52 -1.446 1.001 1.687 311 HD22 ASN 52 2HD2 ASN 52 -1.994 2.465 0.933 312 HA PRO 53 HA PRO 53 1.941 6.381 5.426 313 HB2 PRO 53 2HB PRO 53 1.035 7.736 2.944 314 HB3 PRO 53 1HB PRO 53 2.316 8.199 4.071 315 HG2 PRO 53 2HG PRO 53 2.917 7.174 1.700 316 HG3 PRO 53 1HG PRO 53 3.845 6.728 3.142 317 HD2 PRO 53 2HD PRO 53 1.731 5.179 1.699 318 HD3 PRO 53 1HD PRO 53 3.249 4.619 2.439 319 H HIS 54 H HIS 54 -0.536 5.171 3.310 320 HA HIS 54 HA HIS 54 -2.557 6.848 4.523 321 HB2 HIS 54 2HB HIS 54 -2.792 4.722 2.420 322 HB3 HIS 54 1HB HIS 54 -4.178 5.553 3.106 323 HD1 HIS 54 1HD HIS 54 -4.753 7.829 2.149 324 HD2 HIS 54 2HD HIS 54 -1.116 6.347 0.797 325 HE1 HIS 54 1HE HIS 54 -4.099 9.307 0.289 326 HE2 HIS 54 2HE HIS 54 -1.703 8.672 -0.074 327 H LYS 55 H LYS 55 -2.144 5.997 6.616 328 HA LYS 55 HA LYS 55 -3.842 3.660 6.968 329 HB2 LYS 55 2HB LYS 55 -1.602 3.431 8.089 330 HB3 LYS 55 1HB LYS 55 -1.970 4.867 9.040 331 HG2 LYS 55 2HG LYS 55 -3.884 3.746 10.029 332 HG3 LYS 55 1HG LYS 55 -3.552 2.309 9.070 333 HD2 LYS 55 2HD LYS 55 -1.394 2.065 10.196 334 HD3 LYS 55 1HD LYS 55 -1.739 3.514 11.142 335 HE2 LYS 55 2HE LYS 55 -3.419 1.007 11.154 336 HE3 LYS 55 1HE LYS 55 -2.235 1.425 12.390 337 HZ1 LYS 55 3HZ LYS 55 -4.487 2.046 13.061 338 HZ2 LYS 55 1HZ LYS 55 -4.659 3.016 11.705 339 HZ3 LYS 55 2HZ LYS 55 -3.527 3.405 12.898 340 H GLU 56 H GLU 56 -5.437 4.937 6.395 341 HA GLU 56 HA GLU 56 -6.009 7.385 7.638 342 HB2 GLU 56 2HB GLU 56 -8.158 7.227 6.280 343 HB3 GLU 56 1HB GLU 56 -6.638 7.282 5.405 344 HG2 GLU 56 2HG GLU 56 -6.795 4.745 5.232 345 HG3 GLU 56 1HG GLU 56 -8.439 4.918 5.848 346 H ASP 57 H ASP 57 -6.234 7.223 9.701 347 HA ASP 57 HA ASP 57 -8.450 5.647 10.767 348 HB2 ASP 57 2HB ASP 57 -6.253 5.350 11.893 349 HB3 ASP 57 1HB ASP 57 -6.173 7.079 12.194 350 H TYR 58 H TYR 58 -9.758 6.829 12.414 351 HA TYR 58 HA TYR 58 -10.645 9.275 11.216 352 HB2 TYR 58 2HB TYR 58 -11.668 7.794 13.648 353 HB3 TYR 58 1HB TYR 58 -12.454 9.161 12.880 354 HD1 TYR 58 1HD TYR 58 -13.526 8.891 10.668 355 HD2 TYR 58 2HD TYR 58 -11.807 5.579 12.714 356 HE1 TYR 58 1HE TYR 58 -14.747 7.345 9.193 357 HE2 TYR 58 2HE TYR 58 -13.019 4.035 11.247 358 HH TYR 58 HH TYR 58 -14.470 4.995 8.397 359 H VAL 59 H VAL 59 -8.920 10.593 11.590 360 HA VAL 59 HA VAL 59 -8.677 11.503 14.328 361 HB VAL 59 HB VAL 59 -6.340 12.304 13.770 362 HG11 VAL 59 1HG1 VAL 59 -5.297 10.104 13.996 363 HG12 VAL 59 2HG1 VAL 59 -6.819 9.339 13.545 364 HG13 VAL 59 3HG1 VAL 59 -6.704 10.264 15.043 365 HG21 VAL 59 3HG2 VAL 59 -5.171 11.254 11.860 366 HG22 VAL 59 1HG2 VAL 59 -6.485 12.308 11.329 367 HG23 VAL 59 2HG2 VAL 59 -6.699 10.556 11.323 Start of MODEL 8 1 H1 SER 8 1HT SER 8 -19.649 -0.784 -0.447 2 H2 SER 8 2HT SER 8 -19.921 0.756 -1.060 3 H3 SER 8 3HT SER 8 -19.881 0.499 0.636 4 HA SER 8 HA SER 8 -17.891 1.525 -0.107 5 HB2 SER 8 2HB SER 8 -17.519 -1.382 0.638 6 HB3 SER 8 1HB SER 8 -16.415 -0.047 0.984 7 HG SER 8 HG SER 8 -17.496 -0.083 2.788 8 HA PRO 9 HA PRO 9 -17.023 0.255 -4.301 9 HB2 PRO 9 2HB PRO 9 -14.997 1.969 -4.795 10 HB3 PRO 9 1HB PRO 9 -16.688 2.485 -4.742 11 HG2 PRO 9 2HG PRO 9 -14.582 2.698 -2.632 12 HG3 PRO 9 1HG PRO 9 -15.764 3.909 -3.159 13 HD2 PRO 9 2HD PRO 9 -16.111 2.400 -0.940 14 HD3 PRO 9 1HD PRO 9 -17.474 2.953 -1.934 15 HA PRO 10 HA PRO 10 -13.589 -2.612 -3.583 16 HB2 PRO 10 2HB PRO 10 -13.845 -2.864 -6.545 17 HB3 PRO 10 1HB PRO 10 -13.846 -4.140 -5.322 18 HG2 PRO 10 2HG PRO 10 -16.105 -3.468 -6.535 19 HG3 PRO 10 1HG PRO 10 -16.086 -3.809 -4.794 20 HD2 PRO 10 2HD PRO 10 -16.154 -1.161 -6.195 21 HD3 PRO 10 1HD PRO 10 -17.051 -1.713 -4.761 22 H LYS 11 H LYS 11 -11.518 -1.974 -3.552 23 HA LYS 11 HA LYS 11 -10.596 -0.020 -5.515 24 HB2 LYS 11 2HB LYS 11 -9.595 1.307 -3.651 25 HB3 LYS 11 1HB LYS 11 -11.347 1.247 -3.591 26 HG2 LYS 11 2HG LYS 11 -11.070 -0.622 -1.893 27 HG3 LYS 11 1HG LYS 11 -9.369 -0.146 -1.815 28 HD2 LYS 11 2HD LYS 11 -10.053 2.146 -1.254 29 HD3 LYS 11 1HD LYS 11 -11.743 1.649 -1.306 30 HE2 LYS 11 2HE LYS 11 -11.134 1.674 0.966 31 HE3 LYS 11 1HE LYS 11 -11.173 -0.021 0.497 32 HZ1 LYS 11 3HZ LYS 11 -8.696 0.109 0.261 33 HZ2 LYS 11 1HZ LYS 11 -9.250 0.454 1.832 34 HZ3 LYS 11 2HZ LYS 11 -8.792 1.702 0.833 35 HA PRO 12 HA PRO 12 -6.889 -2.286 -5.985 36 HB2 PRO 12 2HB PRO 12 -5.014 -0.383 -5.036 37 HB3 PRO 12 1HB PRO 12 -5.413 -0.818 -6.697 38 HG2 PRO 12 2HG PRO 12 -6.324 1.481 -5.082 39 HG3 PRO 12 1HG PRO 12 -6.290 1.300 -6.839 40 HD2 PRO 12 2HD PRO 12 -8.580 1.273 -5.387 41 HD3 PRO 12 1HD PRO 12 -8.392 0.376 -6.901 42 H LYS 13 H LYS 13 -5.973 -3.725 -4.948 43 HA LYS 13 HA LYS 13 -5.094 -3.449 -2.185 44 HB2 LYS 13 2HB LYS 13 -6.757 -5.744 -3.288 45 HB3 LYS 13 1HB LYS 13 -5.972 -5.740 -1.709 46 HG2 LYS 13 2HG LYS 13 -7.344 -3.889 -0.988 47 HG3 LYS 13 1HG LYS 13 -8.080 -3.775 -2.582 48 HD2 LYS 13 2HD LYS 13 -9.036 -6.013 -2.292 49 HD3 LYS 13 1HD LYS 13 -8.286 -6.120 -0.696 50 HE2 LYS 13 2HE LYS 13 -9.563 -4.189 0.053 51 HE3 LYS 13 1HE LYS 13 -10.298 -4.041 -1.542 52 HZ1 LYS 13 3HZ LYS 13 -10.619 -6.347 0.302 53 HZ2 LYS 13 1HZ LYS 13 -11.329 -6.203 -1.214 54 HZ3 LYS 13 2HZ LYS 13 -11.764 -5.157 -0.004 55 H CYS 14 H CYS 14 -3.402 -5.059 -1.690 56 HA CYS 14 HA CYS 14 -2.076 -6.009 -4.116 57 HB2 CYS 14 2HB CYS 14 0.020 -4.929 -3.421 58 HB3 CYS 14 1HB CYS 14 -1.259 -3.764 -3.690 59 H ARG 15 H ARG 15 -0.081 -7.237 -3.523 60 HA ARG 15 HA ARG 15 -0.354 -8.762 -1.013 61 HB2 ARG 15 2HB ARG 15 0.283 -9.790 -3.791 62 HB3 ARG 15 1HB ARG 15 0.364 -10.754 -2.326 63 HG2 ARG 15 2HG ARG 15 -1.991 -10.570 -1.996 64 HG3 ARG 15 1HG ARG 15 -2.125 -9.406 -3.315 65 HD2 ARG 15 2HD ARG 15 -1.398 -11.123 -4.891 66 HD3 ARG 15 1HD ARG 15 -1.266 -12.285 -3.573 67 HE ARG 15 HE ARG 15 -3.821 -11.233 -3.518 68 HH11 ARG 15 1HH1 ARG 15 -1.876 -13.179 -5.729 69 HH12 ARG 15 2HH1 ARG 15 -3.173 -14.117 -6.304 70 HH21 ARG 15 1HH2 ARG 15 -5.649 -12.472 -4.373 71 HH22 ARG 15 2HH2 ARG 15 -5.373 -13.697 -5.513 72 H CYS 16 H CYS 16 1.278 -6.473 -1.800 73 HA CYS 16 HA CYS 16 3.945 -7.035 -2.468 74 HB2 CYS 16 2HB CYS 16 2.958 -4.874 -0.583 75 HB3 CYS 16 1HB CYS 16 4.508 -4.920 -1.411 76 H GLY 17 H GLY 17 5.130 -8.559 -1.399 77 HA2 GLY 17 2HA GLY 17 6.424 -8.618 0.774 78 HA3 GLY 17 1HA GLY 17 4.825 -8.702 1.515 79 H ILE 18 H ILE 18 3.571 -10.325 -0.418 80 HA ILE 18 HA ILE 18 4.545 -12.920 0.299 81 HB ILE 18 HB ILE 18 2.496 -12.089 -1.778 82 HG12 ILE 18 2HG1 ILE 18 1.996 -11.184 0.452 83 HG13 ILE 18 1HG1 ILE 18 0.790 -12.332 -0.082 84 HG21 ILE 18 1HG2 ILE 18 2.860 -14.727 -0.353 85 HG22 ILE 18 2HG2 ILE 18 3.234 -14.398 -2.045 86 HG23 ILE 18 3HG2 ILE 18 1.562 -14.341 -1.482 87 HD11 ILE 18 3HD1 ILE 18 1.285 -12.618 2.281 88 HD12 ILE 18 1HD1 ILE 18 3.002 -12.812 1.924 89 HD13 ILE 18 2HD1 ILE 18 1.850 -14.034 1.390 90 H SER 19 H SER 19 4.092 -11.123 -2.718 91 HA SER 19 HA SER 19 6.624 -11.842 -3.779 92 HB2 SER 19 2HB SER 19 4.076 -12.820 -5.135 93 HB3 SER 19 1HB SER 19 5.692 -12.878 -5.841 94 HG SER 19 HG SER 19 5.566 -13.971 -3.361 95 H GLY 20 H GLY 20 6.972 -10.542 -5.777 96 HA2 GLY 20 2HA GLY 20 6.614 -8.695 -7.130 97 HA3 GLY 20 1HA GLY 20 4.979 -8.568 -6.487 98 H SER 21 H SER 21 7.525 -8.907 -4.272 99 HA SER 21 HA SER 21 6.886 -6.562 -2.875 100 HB2 SER 21 2HB SER 21 9.302 -8.348 -2.600 101 HB3 SER 21 1HB SER 21 8.583 -7.317 -1.364 102 HG SER 21 HG SER 21 7.983 -9.448 -1.122 103 H SER 22 H SER 22 7.469 -4.601 -3.543 104 HA SER 22 HA SER 22 10.035 -4.236 -4.900 105 HB2 SER 22 2HB SER 22 7.638 -2.389 -4.858 106 HB3 SER 22 1HB SER 22 9.029 -2.314 -5.943 107 HG SER 22 HG SER 22 7.503 -4.631 -5.813 108 H ASN 23 H ASN 23 11.485 -3.634 -3.401 109 HA ASN 23 HA ASN 23 12.566 -2.501 -1.766 110 HB2 ASN 23 2HB ASN 23 9.992 -0.933 -1.326 111 HB3 ASN 23 1HB ASN 23 11.490 -0.620 -0.479 112 HD21 ASN 23 1HD2 ASN 23 9.715 -0.247 -3.376 113 HD22 ASN 23 2HD2 ASN 23 10.806 0.809 -4.188 114 H THR 24 H THR 24 12.538 -2.368 0.702 115 HA THR 24 HA THR 24 10.767 -4.498 1.618 116 HB THR 24 HB THR 24 13.101 -5.217 1.682 117 HG1 THR 24 1HG THR 24 11.508 -5.738 3.429 118 HG21 THR 24 3HG2 THR 24 14.196 -3.067 1.981 119 HG22 THR 24 1HG2 THR 24 14.718 -4.188 3.239 120 HG23 THR 24 2HG2 THR 24 13.535 -2.933 3.610 121 H LEU 25 H LEU 25 11.849 -1.288 2.323 122 HA LEU 25 HA LEU 25 10.033 -1.219 4.633 123 HB2 LEU 25 2HB LEU 25 12.147 0.755 3.744 124 HB3 LEU 25 1HB LEU 25 11.080 0.989 5.108 125 HG LEU 25 HG LEU 25 13.144 -1.215 4.906 126 HD11 LEU 25 1HD1 LEU 25 14.182 0.990 5.050 127 HD12 LEU 25 2HD1 LEU 25 14.383 0.086 6.551 128 HD13 LEU 25 3HD1 LEU 25 13.182 1.372 6.452 129 HD21 LEU 25 3HD2 LEU 25 11.218 -1.784 6.327 130 HD22 LEU 25 1HD2 LEU 25 11.432 -0.279 7.213 131 HD23 LEU 25 2HD2 LEU 25 12.676 -1.525 7.287 132 H THR 26 H THR 26 10.899 0.403 1.652 133 HA THR 26 HA THR 26 8.590 2.094 1.722 134 HB THR 26 HB THR 26 10.580 1.719 -0.543 135 HG1 THR 26 1HG THR 26 11.715 3.450 0.583 136 HG21 THR 26 3HG2 THR 26 10.119 4.085 -0.983 137 HG22 THR 26 1HG2 THR 26 9.058 4.158 0.423 138 HG23 THR 26 2HG2 THR 26 8.607 3.177 -0.966 139 H THR 27 H THR 27 8.278 -0.937 1.515 140 HA THR 27 HA THR 27 7.860 -2.054 -0.934 141 HB THR 27 HB THR 27 6.021 -2.624 1.349 142 HG1 THR 27 1HG THR 27 7.667 -3.265 2.580 143 HG21 THR 27 3HG2 THR 27 6.526 -4.929 0.741 144 HG22 THR 27 1HG2 THR 27 7.760 -4.382 -0.404 145 HG23 THR 27 2HG2 THR 27 6.064 -4.025 -0.700 146 H CYS 28 H CYS 28 5.228 -0.942 1.154 147 HA CYS 28 HA CYS 28 3.538 -0.608 -1.145 148 HB2 CYS 28 2HB CYS 28 2.956 -0.647 1.795 149 HB3 CYS 28 1HB CYS 28 1.721 -0.198 0.628 150 H ARG 29 H ARG 29 5.682 1.224 0.286 151 HA ARG 29 HA ARG 29 4.209 3.732 0.345 152 HB2 ARG 29 2HB ARG 29 5.790 3.148 2.177 153 HB3 ARG 29 1HB ARG 29 7.087 3.118 0.995 154 HG2 ARG 29 2HG ARG 29 6.788 5.506 0.598 155 HG3 ARG 29 1HG ARG 29 5.477 5.538 1.771 156 HD2 ARG 29 2HD ARG 29 7.013 4.892 3.537 157 HD3 ARG 29 1HD ARG 29 8.337 4.769 2.380 158 HE ARG 29 HE ARG 29 6.991 7.219 3.251 159 HH11 ARG 29 1HH1 ARG 29 9.746 5.657 1.636 160 HH12 ARG 29 2HH1 ARG 29 10.653 7.076 1.499 161 HH21 ARG 29 1HH2 ARG 29 8.315 9.213 3.051 162 HH22 ARG 29 2HH2 ARG 29 9.843 9.099 2.303 163 H ASN 30 H ASN 30 5.600 2.008 -2.049 164 HA ASN 30 HA ASN 30 6.561 4.466 -3.344 165 HB2 ASN 30 2HB ASN 30 8.149 3.275 -4.658 166 HB3 ASN 30 1HB ASN 30 8.356 2.704 -3.012 167 HD21 ASN 30 1HD2 ASN 30 7.689 0.602 -2.522 168 HD22 ASN 30 2HD2 ASN 30 7.404 -0.576 -3.735 169 H SER 31 H SER 31 6.360 4.472 -5.746 170 HA SER 31 HA SER 31 3.630 4.340 -6.316 171 HB2 SER 31 2HB SER 31 5.929 4.860 -8.171 172 HB3 SER 31 1HB SER 31 4.246 5.347 -8.406 173 HG SER 31 HG SER 31 4.610 7.018 -7.199 174 H ARG 32 H ARG 32 5.826 1.759 -6.506 175 HA ARG 32 HA ARG 32 4.551 0.576 -8.827 176 HB2 ARG 32 2HB ARG 32 6.563 -0.665 -6.919 177 HB3 ARG 32 1HB ARG 32 6.038 -1.350 -8.450 178 HG2 ARG 32 2HG ARG 32 7.048 0.510 -9.652 179 HG3 ARG 32 1HG ARG 32 7.528 1.249 -8.127 180 HD2 ARG 32 2HD ARG 32 8.900 -0.789 -7.654 181 HD3 ARG 32 1HD ARG 32 8.500 -1.368 -9.272 182 HE ARG 32 HE ARG 32 9.554 1.264 -9.311 183 HH11 ARG 32 1HH1 ARG 32 10.586 -2.147 -9.155 184 HH12 ARG 32 2HH1 ARG 32 12.142 -1.827 -9.767 185 HH21 ARG 32 1HH2 ARG 32 11.734 1.653 -10.129 186 HH22 ARG 32 2HH2 ARG 32 12.797 0.326 -10.317 187 H CYS 33 H CYS 33 3.764 1.010 -5.679 188 HA CYS 33 HA CYS 33 2.242 -1.459 -5.457 189 HB2 CYS 33 2HB CYS 33 3.394 -0.617 -3.429 190 HB3 CYS 33 1HB CYS 33 2.500 0.891 -3.547 191 HA PRO 34 HA PRO 34 -1.109 0.564 -7.562 192 HB2 PRO 34 2HB PRO 34 -3.145 -1.095 -6.688 193 HB3 PRO 34 1HB PRO 34 -2.080 -1.448 -8.048 194 HG2 PRO 34 2HG PRO 34 -1.936 -2.411 -5.230 195 HG3 PRO 34 1HG PRO 34 -1.613 -3.293 -6.733 196 HD2 PRO 34 2HD PRO 34 0.370 -2.385 -5.165 197 HD3 PRO 34 1HD PRO 34 0.525 -2.407 -6.932 198 H CYS 35 H CYS 35 -1.379 -0.242 -4.181 199 HA CYS 35 HA CYS 35 -3.686 1.277 -3.576 200 HB2 CYS 35 2HB CYS 35 -1.406 0.440 -1.814 201 HB3 CYS 35 1HB CYS 35 -2.950 1.060 -1.242 202 H TYR 36 H TYR 36 -0.305 1.958 -2.887 203 HA TYR 36 HA TYR 36 -0.489 4.493 -1.852 204 HB2 TYR 36 2HB TYR 36 1.566 3.224 -1.776 205 HB3 TYR 36 1HB TYR 36 1.703 3.268 -3.527 206 HD1 TYR 36 1HD TYR 36 1.909 5.326 -0.466 207 HD2 TYR 36 2HD TYR 36 2.699 5.115 -4.628 208 HE1 TYR 36 1HE TYR 36 3.264 7.376 -0.307 209 HE2 TYR 36 2HE TYR 36 4.048 7.148 -4.499 210 HH TYR 36 HH TYR 36 4.293 9.052 -3.101 211 H LYS 37 H LYS 37 0.007 3.591 -5.227 212 HA LYS 37 HA LYS 37 0.292 6.210 -6.216 213 HB2 LYS 37 2HB LYS 37 0.783 3.760 -7.220 214 HB3 LYS 37 1HB LYS 37 -0.762 4.065 -7.994 215 HG2 LYS 37 2HG LYS 37 1.685 5.821 -8.218 216 HG3 LYS 37 1HG LYS 37 1.160 4.653 -9.425 217 HD2 LYS 37 2HD LYS 37 -0.905 5.924 -9.754 218 HD3 LYS 37 1HD LYS 37 -0.402 7.065 -8.507 219 HE2 LYS 37 2HE LYS 37 1.569 7.646 -9.872 220 HE3 LYS 37 1HE LYS 37 1.005 6.547 -11.126 221 HZ1 LYS 37 3HZ LYS 37 -0.468 8.916 -10.133 222 HZ2 LYS 37 1HZ LYS 37 -0.976 7.937 -11.399 223 HZ3 LYS 37 2HZ LYS 37 0.409 8.893 -11.541 224 H SER 38 H SER 38 -2.541 4.093 -5.861 225 HA SER 38 HA SER 38 -4.257 6.026 -7.136 226 HB2 SER 38 2HB SER 38 -4.883 3.389 -5.813 227 HB3 SER 38 1HB SER 38 -6.011 4.348 -6.770 228 HG SER 38 HG SER 38 -5.078 3.747 -8.525 229 H TYR 39 H TYR 39 -2.898 6.143 -4.239 230 HA TYR 39 HA TYR 39 -3.246 7.367 -2.378 231 HB2 TYR 39 2HB TYR 39 -5.792 8.258 -3.754 232 HB3 TYR 39 1HB TYR 39 -5.205 8.934 -2.239 233 HD1 TYR 39 2HD TYR 39 -3.105 10.218 -2.201 234 HD2 TYR 39 1HD TYR 39 -4.819 8.886 -5.848 235 HE1 TYR 39 2HE TYR 39 -1.677 11.779 -3.433 236 HE2 TYR 39 1HE TYR 39 -3.393 10.446 -7.098 237 HH TYR 39 HH TYR 39 -0.740 11.912 -5.673 238 H ASN 40 H ASN 40 -4.226 4.627 -2.631 239 HA ASN 40 HA ASN 40 -6.306 4.655 -0.570 240 HB2 ASN 40 2HB ASN 40 -5.504 2.464 -2.500 241 HB3 ASN 40 1HB ASN 40 -6.561 2.188 -1.124 242 HD21 ASN 40 1HD2 ASN 40 -6.295 3.520 -4.286 243 HD22 ASN 40 2HD2 ASN 40 -7.973 3.905 -4.466 244 H SER 41 H SER 41 -6.134 2.988 1.039 245 HA SER 41 HA SER 41 -3.378 2.848 1.997 246 HB2 SER 41 2HB SER 41 -4.449 2.438 4.206 247 HB3 SER 41 1HB SER 41 -4.917 3.975 3.480 248 HG SER 41 HG SER 41 -6.815 2.645 2.672 249 H CYS 42 H CYS 42 -2.983 0.802 3.354 250 HA CYS 42 HA CYS 42 -3.957 -1.372 1.737 251 HB2 CYS 42 2HB CYS 42 -1.512 -1.209 3.477 252 HB3 CYS 42 1HB CYS 42 -2.099 -2.718 2.766 253 H ALA 43 H ALA 43 -5.845 -1.096 2.677 254 HA ALA 43 HA ALA 43 -6.166 -2.601 5.174 255 HB1 ALA 43 1HB ALA 43 -7.012 -0.300 5.338 256 HB2 ALA 43 2HB ALA 43 -8.339 -1.460 5.379 257 HB3 ALA 43 3HB ALA 43 -8.000 -0.562 3.899 258 H GLY 44 H GLY 44 -6.619 -4.621 4.600 259 HA2 GLY 44 2HA GLY 44 -8.199 -6.207 3.782 260 HA3 GLY 44 1HA GLY 44 -8.679 -5.044 2.552 261 H CYS 45 H CYS 45 -5.365 -5.231 3.037 262 HA CYS 45 HA CYS 45 -4.982 -6.550 0.452 263 HB2 CYS 45 2HB CYS 45 -3.067 -4.996 2.199 264 HB3 CYS 45 1HB CYS 45 -2.680 -5.686 0.631 265 H HIS 46 H HIS 46 -2.968 -7.933 0.370 266 HA HIS 46 HA HIS 46 -2.560 -9.347 2.891 267 HB2 HIS 46 2HB HIS 46 -2.765 -10.531 0.112 268 HB3 HIS 46 1HB HIS 46 -1.985 -11.392 1.431 269 HD1 HIS 46 1HD HIS 46 -3.543 -12.286 3.365 270 HD2 HIS 46 2HD HIS 46 -5.550 -10.442 0.221 271 HE1 HIS 46 1HE HIS 46 -5.943 -12.841 3.682 272 HE2 HIS 46 2HE HIS 46 -7.115 -11.852 1.697 273 H CYS 47 H CYS 47 -1.243 -7.196 2.377 274 HA CYS 47 HA CYS 47 1.302 -7.929 1.204 275 HB2 CYS 47 2HB CYS 47 1.869 -5.497 1.585 276 HB3 CYS 47 1HB CYS 47 0.585 -5.778 0.431 277 H VAL 48 H VAL 48 3.246 -7.610 2.337 278 HA VAL 48 HA VAL 48 3.063 -7.756 5.259 279 HB VAL 48 HB VAL 48 4.818 -9.540 3.510 280 HG11 VAL 48 1HG1 VAL 48 5.412 -10.685 5.592 281 HG12 VAL 48 2HG1 VAL 48 4.463 -9.508 6.503 282 HG13 VAL 48 3HG1 VAL 48 5.893 -8.988 5.612 283 HG21 VAL 48 3HG2 VAL 48 2.489 -10.271 3.405 284 HG22 VAL 48 1HG2 VAL 48 2.404 -10.287 5.165 285 HG23 VAL 48 2HG2 VAL 48 3.461 -11.423 4.327 286 H GLY 49 H GLY 49 4.552 -6.466 6.200 287 HA2 GLY 49 2HA GLY 49 6.391 -5.063 6.435 288 HA3 GLY 49 1HA GLY 49 6.964 -5.607 4.853 289 H CYS 50 H CYS 50 3.954 -4.137 5.925 290 HA CYS 50 HA CYS 50 4.047 -2.447 3.585 291 HB2 CYS 50 2HB CYS 50 2.092 -3.743 3.664 292 HB3 CYS 50 1HB CYS 50 1.820 -3.355 5.360 293 H LYS 51 H LYS 51 5.007 -0.604 4.037 294 HA LYS 51 HA LYS 51 3.773 0.923 6.188 295 HB2 LYS 51 2HB LYS 51 6.382 1.451 4.722 296 HB3 LYS 51 1HB LYS 51 5.678 2.477 5.968 297 HG2 LYS 51 2HG LYS 51 5.915 0.619 7.577 298 HG3 LYS 51 1HG LYS 51 6.718 -0.325 6.320 299 HD2 LYS 51 2HD LYS 51 8.388 0.687 7.754 300 HD3 LYS 51 1HD LYS 51 8.452 1.443 6.163 301 HE2 LYS 51 2HE LYS 51 7.189 3.358 6.992 302 HE3 LYS 51 1HE LYS 51 7.025 2.590 8.571 303 HZ1 LYS 51 3HZ LYS 51 9.545 3.493 7.295 304 HZ2 LYS 51 1HZ LYS 51 9.442 2.706 8.791 305 HZ3 LYS 51 2HZ LYS 51 8.759 4.227 8.583 306 H ASN 52 H ASN 52 1.982 1.500 5.097 307 HA ASN 52 HA ASN 52 2.357 2.940 2.558 308 HB2 ASN 52 2HB ASN 52 0.672 1.076 2.604 309 HB3 ASN 52 1HB ASN 52 -0.221 1.968 3.827 310 HD21 ASN 52 1HD2 ASN 52 -1.187 1.117 1.298 311 HD22 ASN 52 2HD2 ASN 52 -1.652 2.542 0.425 312 HA PRO 53 HA PRO 53 2.036 6.600 5.218 313 HB2 PRO 53 2HB PRO 53 1.908 7.926 2.576 314 HB3 PRO 53 1HB PRO 53 2.991 8.233 3.940 315 HG2 PRO 53 2HG PRO 53 3.870 7.008 1.763 316 HG3 PRO 53 1HG PRO 53 4.402 6.502 3.377 317 HD2 PRO 53 2HD PRO 53 2.396 5.220 1.561 318 HD3 PRO 53 1HD PRO 53 3.640 4.479 2.599 319 H HIS 54 H HIS 54 -0.170 5.477 2.866 320 HA HIS 54 HA HIS 54 -2.088 7.598 3.451 321 HB2 HIS 54 2HB HIS 54 -2.386 5.248 1.556 322 HB3 HIS 54 1HB HIS 54 -3.514 6.580 1.736 323 HD1 HIS 54 1HD HIS 54 -2.809 8.876 0.619 324 HD2 HIS 54 2HD HIS 54 -0.196 5.724 0.022 325 HE1 HIS 54 1HE HIS 54 -1.320 9.604 -1.231 326 HE2 HIS 54 2HE HIS 54 0.083 7.647 -1.758 327 H LYS 55 H LYS 55 -3.797 7.239 4.638 328 HA LYS 55 HA LYS 55 -4.461 4.547 5.496 329 HB2 LYS 55 2HB LYS 55 -4.006 6.882 7.348 330 HB3 LYS 55 1HB LYS 55 -4.954 5.485 7.801 331 HG2 LYS 55 2HG LYS 55 -2.938 4.080 7.461 332 HG3 LYS 55 1HG LYS 55 -2.018 5.559 7.152 333 HD2 LYS 55 2HD LYS 55 -2.600 6.413 9.351 334 HD3 LYS 55 1HD LYS 55 -3.597 4.996 9.656 335 HE2 LYS 55 2HE LYS 55 -1.463 4.824 10.789 336 HE3 LYS 55 1HE LYS 55 -1.617 3.577 9.556 337 HZ1 LYS 55 3HZ LYS 55 -0.186 4.768 8.133 338 HZ2 LYS 55 1HZ LYS 55 0.563 4.669 9.623 339 HZ3 LYS 55 2HZ LYS 55 -0.141 6.126 9.132 340 H GLU 56 H GLU 56 -6.470 4.300 4.867 341 HA GLU 56 HA GLU 56 -8.188 6.580 4.679 342 HB2 GLU 56 2HB GLU 56 -8.611 3.641 4.159 343 HB3 GLU 56 1HB GLU 56 -9.822 4.893 3.890 344 HG2 GLU 56 2HG GLU 56 -8.563 5.885 2.173 345 HG3 GLU 56 1HG GLU 56 -7.127 4.945 2.582 346 H ASP 57 H ASP 57 -8.209 7.196 6.707 347 HA ASP 57 HA ASP 57 -8.726 5.556 8.966 348 HB2 ASP 57 2HB ASP 57 -7.514 7.820 8.905 349 HB3 ASP 57 1HB ASP 57 -9.159 8.443 8.666 350 H TYR 58 H TYR 58 -10.506 4.546 8.498 351 HA TYR 58 HA TYR 58 -12.942 5.983 7.844 352 HB2 TYR 58 2HB TYR 58 -12.333 3.953 6.550 353 HB3 TYR 58 1HB TYR 58 -12.478 2.998 8.016 354 HD1 TYR 58 1HD TYR 58 -14.379 5.106 5.650 355 HD2 TYR 58 2HD TYR 58 -14.577 2.179 8.715 356 HE1 TYR 58 1HE TYR 58 -16.766 4.787 5.180 357 HE2 TYR 58 2HE TYR 58 -16.955 1.850 8.251 358 HH TYR 58 HH TYR 58 -18.803 3.084 7.293 359 H VAL 59 H VAL 59 -13.974 6.793 9.474 360 HA VAL 59 HA VAL 59 -13.992 5.377 11.976 361 HB VAL 59 HB VAL 59 -13.340 7.708 12.191 362 HG11 VAL 59 1HG1 VAL 59 -14.812 9.590 11.674 363 HG12 VAL 59 2HG1 VAL 59 -15.960 8.478 10.932 364 HG13 VAL 59 3HG1 VAL 59 -14.351 8.684 10.231 365 HG21 VAL 59 3HG2 VAL 59 -16.114 7.273 13.274 366 HG22 VAL 59 1HG2 VAL 59 -14.988 8.508 13.831 367 HG23 VAL 59 2HG2 VAL 59 -14.602 6.796 14.038 Start of MODEL 9 1 H1 SER 8 1HT SER 8 -22.027 -0.614 -4.855 2 H2 SER 8 2HT SER 8 -20.568 -1.173 -5.520 3 H3 SER 8 3HT SER 8 -21.050 0.424 -5.771 4 HA SER 8 HA SER 8 -20.790 0.916 -3.474 5 HB2 SER 8 2HB SER 8 -19.818 -1.953 -3.258 6 HB3 SER 8 1HB SER 8 -19.977 -0.789 -1.941 7 HG SER 8 HG SER 8 -22.240 -0.769 -2.349 8 HA PRO 9 HA PRO 9 -16.644 1.639 -4.971 9 HB2 PRO 9 2HB PRO 9 -15.672 3.237 -3.035 10 HB3 PRO 9 1HB PRO 9 -16.950 3.759 -4.133 11 HG2 PRO 9 2HG PRO 9 -17.135 2.924 -1.288 12 HG3 PRO 9 1HG PRO 9 -18.097 4.114 -2.175 13 HD2 PRO 9 2HD PRO 9 -18.850 1.469 -1.576 14 HD3 PRO 9 1HD PRO 9 -19.650 2.555 -2.728 15 HA PRO 10 HA PRO 10 -14.343 -1.402 -2.476 16 HB2 PRO 10 2HB PRO 10 -13.205 -2.732 -4.502 17 HB3 PRO 10 1HB PRO 10 -14.904 -2.977 -4.082 18 HG2 PRO 10 2HG PRO 10 -13.721 -1.505 -6.370 19 HG3 PRO 10 1HG PRO 10 -15.271 -2.346 -6.255 20 HD2 PRO 10 2HD PRO 10 -14.805 0.448 -5.998 21 HD3 PRO 10 1HD PRO 10 -16.328 -0.416 -5.721 22 H LYS 11 H LYS 11 -11.960 -1.873 -2.329 23 HA LYS 11 HA LYS 11 -10.377 0.382 -3.363 24 HB2 LYS 11 2HB LYS 11 -9.845 -1.264 -0.897 25 HB3 LYS 11 1HB LYS 11 -8.881 0.093 -1.449 26 HG2 LYS 11 2HG LYS 11 -10.877 1.555 -1.058 27 HG3 LYS 11 1HG LYS 11 -11.676 0.158 -0.326 28 HD2 LYS 11 2HD LYS 11 -9.129 1.499 0.607 29 HD3 LYS 11 1HD LYS 11 -10.686 1.494 1.431 30 HE2 LYS 11 2HE LYS 11 -10.506 -0.946 1.730 31 HE3 LYS 11 1HE LYS 11 -8.963 -0.926 0.893 32 HZ1 LYS 11 3HZ LYS 11 -8.131 0.569 2.657 33 HZ2 LYS 11 1HZ LYS 11 -8.580 -0.971 3.211 34 HZ3 LYS 11 2HZ LYS 11 -9.581 0.350 3.496 35 HA PRO 12 HA PRO 12 -7.991 -2.814 -5.437 36 HB2 PRO 12 2HB PRO 12 -5.704 -0.973 -5.265 37 HB3 PRO 12 1HB PRO 12 -6.498 -1.618 -6.700 38 HG2 PRO 12 2HG PRO 12 -6.763 0.967 -5.998 39 HG3 PRO 12 1HG PRO 12 -8.074 0.052 -6.765 40 HD2 PRO 12 2HD PRO 12 -7.710 0.793 -3.892 41 HD3 PRO 12 1HD PRO 12 -9.186 0.764 -4.884 42 H LYS 13 H LYS 13 -6.510 -4.348 -4.784 43 HA LYS 13 HA LYS 13 -5.228 -3.885 -2.199 44 HB2 LYS 13 2HB LYS 13 -6.685 -6.393 -3.070 45 HB3 LYS 13 1HB LYS 13 -5.716 -6.229 -1.604 46 HG2 LYS 13 2HG LYS 13 -7.203 -4.673 -0.658 47 HG3 LYS 13 1HG LYS 13 -8.064 -4.463 -2.182 48 HD2 LYS 13 2HD LYS 13 -8.900 -6.714 -2.058 49 HD3 LYS 13 1HD LYS 13 -7.964 -7.016 -0.589 50 HE2 LYS 13 2HE LYS 13 -9.234 -5.394 0.621 51 HE3 LYS 13 1HE LYS 13 -10.072 -4.880 -0.839 52 HZ1 LYS 13 3HZ LYS 13 -11.181 -6.935 -0.965 53 HZ2 LYS 13 1HZ LYS 13 -11.370 -6.387 0.609 54 HZ3 LYS 13 2HZ LYS 13 -10.278 -7.636 0.261 55 H CYS 14 H CYS 14 -3.315 -5.067 -1.861 56 HA CYS 14 HA CYS 14 -2.062 -5.979 -4.354 57 HB2 CYS 14 2HB CYS 14 -0.030 -4.797 -3.663 58 HB3 CYS 14 1HB CYS 14 -1.387 -3.687 -3.863 59 H ARG 15 H ARG 15 -0.037 -7.139 -3.902 60 HA ARG 15 HA ARG 15 -0.095 -8.640 -1.374 61 HB2 ARG 15 2HB ARG 15 0.512 -9.634 -4.176 62 HB3 ARG 15 1HB ARG 15 1.027 -10.511 -2.747 63 HG2 ARG 15 2HG ARG 15 -0.967 -11.535 -3.544 64 HG3 ARG 15 1HG ARG 15 -1.384 -10.657 -2.075 65 HD2 ARG 15 2HD ARG 15 -2.152 -8.775 -3.558 66 HD3 ARG 15 1HD ARG 15 -1.917 -9.870 -4.922 67 HE ARG 15 HE ARG 15 -3.465 -11.235 -3.173 68 HH11 ARG 15 1HH1 ARG 15 -3.777 -8.210 -5.022 69 HH12 ARG 15 2HH1 ARG 15 -5.478 -8.214 -5.010 70 HH21 ARG 15 1HH2 ARG 15 -5.841 -11.230 -3.200 71 HH22 ARG 15 2HH2 ARG 15 -6.656 -9.957 -3.949 72 H CYS 16 H CYS 16 1.261 -6.189 -2.129 73 HA CYS 16 HA CYS 16 3.983 -6.493 -2.683 74 HB2 CYS 16 2HB CYS 16 2.672 -4.435 -0.886 75 HB3 CYS 16 1HB CYS 16 4.294 -4.334 -1.550 76 H GLY 17 H GLY 17 5.369 -7.664 -1.623 77 HA2 GLY 17 2HA GLY 17 6.650 -7.747 0.513 78 HA3 GLY 17 1HA GLY 17 5.078 -7.922 1.304 79 H ILE 18 H ILE 18 3.845 -9.571 -0.476 80 HA ILE 18 HA ILE 18 5.097 -12.131 0.009 81 HB ILE 18 HB ILE 18 2.716 -11.450 -1.763 82 HG12 ILE 18 2HG1 ILE 18 2.738 -12.311 1.139 83 HG13 ILE 18 1HG1 ILE 18 2.285 -10.729 0.531 84 HG21 ILE 18 1HG2 ILE 18 3.669 -13.617 -2.259 85 HG22 ILE 18 2HG2 ILE 18 2.100 -13.811 -1.470 86 HG23 ILE 18 3HG2 ILE 18 3.584 -14.071 -0.555 87 HD11 ILE 18 3HD1 ILE 18 0.826 -13.306 -0.033 88 HD12 ILE 18 1HD1 ILE 18 0.383 -11.714 -0.647 89 HD13 ILE 18 2HD1 ILE 18 0.315 -12.038 1.083 90 H SER 19 H SER 19 4.324 -9.966 -2.604 91 HA SER 19 HA SER 19 6.501 -11.013 -4.228 92 HB2 SER 19 2HB SER 19 3.734 -10.164 -5.155 93 HB3 SER 19 1HB SER 19 5.041 -10.694 -6.209 94 HG SER 19 HG SER 19 4.973 -12.696 -4.934 95 H GLY 20 H GLY 20 7.175 -9.220 -5.800 96 HA2 GLY 20 2HA GLY 20 7.238 -6.942 -6.399 97 HA3 GLY 20 1HA GLY 20 6.311 -6.560 -4.959 98 H SER 21 H SER 21 9.324 -8.393 -5.317 99 HA SER 21 HA SER 21 10.492 -7.001 -3.111 100 HB2 SER 21 2HB SER 21 11.712 -8.960 -5.067 101 HB3 SER 21 1HB SER 21 12.395 -8.477 -3.514 102 HG SER 21 HG SER 21 10.207 -9.273 -2.718 103 H SER 22 H SER 22 10.951 -4.958 -3.540 104 HA SER 22 HA SER 22 12.989 -4.339 -5.500 105 HB2 SER 22 2HB SER 22 10.317 -2.890 -5.538 106 HB3 SER 22 1HB SER 22 11.726 -2.475 -6.516 107 HG SER 22 HG SER 22 11.251 -5.032 -6.843 108 H ASN 23 H ASN 23 10.719 -3.108 -3.086 109 HA ASN 23 HA ASN 23 12.914 -1.622 -1.867 110 HB2 ASN 23 2HB ASN 23 10.002 -0.758 -2.122 111 HB3 ASN 23 1HB ASN 23 11.189 0.031 -1.101 112 HD21 ASN 23 1HD2 ASN 23 10.032 -0.404 -4.335 113 HD22 ASN 23 2HD2 ASN 23 11.013 0.793 -5.078 114 H THR 24 H THR 24 13.168 -2.203 0.234 115 HA THR 24 HA THR 24 11.324 -4.247 1.206 116 HB THR 24 HB THR 24 14.022 -3.476 2.353 117 HG1 THR 24 1HG THR 24 14.373 -4.138 0.251 118 HG21 THR 24 3HG2 THR 24 12.580 -4.830 3.824 119 HG22 THR 24 1HG2 THR 24 13.965 -5.764 3.261 120 HG23 THR 24 2HG2 THR 24 12.381 -6.016 2.533 121 H LEU 25 H LEU 25 12.521 -1.073 1.976 122 HA LEU 25 HA LEU 25 11.093 -0.990 4.527 123 HB2 LEU 25 2HB LEU 25 12.722 1.137 3.134 124 HB3 LEU 25 1HB LEU 25 12.138 1.190 4.784 125 HG LEU 25 HG LEU 25 14.212 -0.744 3.742 126 HD11 LEU 25 1HD1 LEU 25 15.038 1.525 3.743 127 HD12 LEU 25 2HD1 LEU 25 15.784 0.606 5.053 128 HD13 LEU 25 3HD1 LEU 25 14.477 1.745 5.397 129 HD21 LEU 25 3HD2 LEU 25 13.274 -0.167 6.551 130 HD22 LEU 25 1HD2 LEU 25 14.591 -1.250 6.102 131 HD23 LEU 25 2HD2 LEU 25 12.939 -1.633 5.624 132 H THR 26 H THR 26 11.099 0.229 1.302 133 HA THR 26 HA THR 26 8.764 1.906 1.784 134 HB THR 26 HB THR 26 10.417 1.761 -0.741 135 HG1 THR 26 1HG THR 26 11.110 3.557 1.331 136 HG21 THR 26 3HG2 THR 26 8.388 3.184 -0.705 137 HG22 THR 26 1HG2 THR 26 9.866 4.129 -0.873 138 HG23 THR 26 2HG2 THR 26 9.043 4.051 0.683 139 H THR 27 H THR 27 8.626 -1.129 1.556 140 HA THR 27 HA THR 27 8.081 -2.202 -0.899 141 HB THR 27 HB THR 27 6.597 -2.912 1.644 142 HG1 THR 27 1HG THR 27 9.188 -3.562 0.671 143 HG21 THR 27 3HG2 THR 27 7.431 -4.577 -0.747 144 HG22 THR 27 1HG2 THR 27 5.794 -4.039 -0.377 145 HG23 THR 27 2HG2 THR 27 6.607 -5.178 0.695 146 H CYS 28 H CYS 28 5.401 -1.223 1.247 147 HA CYS 28 HA CYS 28 3.732 -0.901 -1.084 148 HB2 CYS 28 2HB CYS 28 3.107 -0.984 1.829 149 HB3 CYS 28 1HB CYS 28 1.916 -0.311 0.731 150 H ARG 29 H ARG 29 5.847 1.035 0.214 151 HA ARG 29 HA ARG 29 4.224 3.482 0.352 152 HB2 ARG 29 2HB ARG 29 5.804 2.689 2.166 153 HB3 ARG 29 1HB ARG 29 7.117 3.069 1.077 154 HG2 ARG 29 2HG ARG 29 6.386 5.437 1.098 155 HG3 ARG 29 1HG ARG 29 5.134 5.008 2.268 156 HD2 ARG 29 2HD ARG 29 6.928 4.103 3.753 157 HD3 ARG 29 1HD ARG 29 8.117 4.745 2.625 158 HE ARG 29 HE ARG 29 6.255 6.706 3.551 159 HH11 ARG 29 1HH1 ARG 29 9.407 5.192 4.173 160 HH12 ARG 29 2HH1 ARG 29 9.838 6.298 5.389 161 HH21 ARG 29 1HH2 ARG 29 6.881 8.218 5.215 162 HH22 ARG 29 2HH2 ARG 29 8.390 8.046 5.984 163 H ASN 30 H ASN 30 5.300 2.009 -2.202 164 HA ASN 30 HA ASN 30 6.605 4.379 -3.320 165 HB2 ASN 30 2HB ASN 30 8.278 3.139 -4.496 166 HB3 ASN 30 1HB ASN 30 8.315 2.567 -2.835 167 HD21 ASN 30 1HD2 ASN 30 7.592 0.481 -2.413 168 HD22 ASN 30 2HD2 ASN 30 7.340 -0.695 -3.650 169 H SER 31 H SER 31 6.805 4.013 -5.824 170 HA SER 31 HA SER 31 4.256 4.345 -6.879 171 HB2 SER 31 2HB SER 31 6.796 3.755 -8.373 172 HB3 SER 31 1HB SER 31 5.402 4.685 -8.935 173 HG SER 31 HG SER 31 5.823 6.188 -7.320 174 H ARG 32 H ARG 32 5.908 1.379 -6.338 175 HA ARG 32 HA ARG 32 4.540 0.052 -8.522 176 HB2 ARG 32 2HB ARG 32 6.563 -0.982 -6.544 177 HB3 ARG 32 1HB ARG 32 5.874 -1.932 -7.860 178 HG2 ARG 32 2HG ARG 32 6.795 -0.372 -9.484 179 HG3 ARG 32 1HG ARG 32 7.448 0.611 -8.182 180 HD2 ARG 32 2HD ARG 32 8.864 -1.292 -7.503 181 HD3 ARG 32 1HD ARG 32 8.232 -2.212 -8.876 182 HE ARG 32 HE ARG 32 9.165 0.260 -9.764 183 HH11 ARG 32 1HH1 ARG 32 10.529 -2.817 -8.566 184 HH12 ARG 32 2HH1 ARG 32 11.973 -2.614 -9.420 185 HH21 ARG 32 1HH2 ARG 32 11.169 0.485 -10.889 186 HH22 ARG 32 2HH2 ARG 32 12.370 -0.704 -10.746 187 H CYS 33 H CYS 33 3.659 0.968 -5.570 188 HA CYS 33 HA CYS 33 2.048 -1.417 -5.151 189 HB2 CYS 33 2HB CYS 33 3.195 -0.541 -3.155 190 HB3 CYS 33 1HB CYS 33 2.406 1.015 -3.385 191 HA PRO 34 HA PRO 34 -0.928 0.795 -7.686 192 HB2 PRO 34 2HB PRO 34 -3.022 -0.958 -7.181 193 HB3 PRO 34 1HB PRO 34 -1.810 -1.176 -8.445 194 HG2 PRO 34 2HG PRO 34 -1.940 -2.367 -5.712 195 HG3 PRO 34 1HG PRO 34 -1.450 -3.127 -7.234 196 HD2 PRO 34 2HD PRO 34 0.336 -2.355 -5.429 197 HD3 PRO 34 1HD PRO 34 0.675 -2.166 -7.163 198 H CYS 35 H CYS 35 -1.462 -0.200 -4.432 199 HA CYS 35 HA CYS 35 -3.838 1.265 -3.888 200 HB2 CYS 35 2HB CYS 35 -1.672 0.405 -1.988 201 HB3 CYS 35 1HB CYS 35 -3.310 0.878 -1.551 202 H TYR 36 H TYR 36 -0.513 1.785 -2.873 203 HA TYR 36 HA TYR 36 -0.750 4.255 -1.660 204 HB2 TYR 36 2HB TYR 36 1.213 2.892 -1.364 205 HB3 TYR 36 1HB TYR 36 1.600 3.015 -3.077 206 HD1 TYR 36 2HD TYR 36 1.437 4.877 0.078 207 HD2 TYR 36 1HD TYR 36 2.762 4.910 -3.952 208 HE1 TYR 36 2HE TYR 36 2.750 6.907 0.528 209 HE2 TYR 36 1HE TYR 36 4.064 6.922 -3.541 210 HH TYR 36 HH TYR 36 3.979 8.806 -1.911 211 H LYS 37 H LYS 37 0.264 3.515 -4.949 212 HA LYS 37 HA LYS 37 0.792 6.169 -5.653 213 HB2 LYS 37 2HB LYS 37 1.611 3.964 -6.721 214 HB3 LYS 37 1HB LYS 37 0.093 3.954 -7.591 215 HG2 LYS 37 2HG LYS 37 2.077 6.203 -7.718 216 HG3 LYS 37 1HG LYS 37 2.076 4.854 -8.853 217 HD2 LYS 37 2HD LYS 37 -0.154 5.443 -9.577 218 HD3 LYS 37 1HD LYS 37 -0.234 6.730 -8.374 219 HE2 LYS 37 2HE LYS 37 1.669 7.825 -9.509 220 HE3 LYS 37 1HE LYS 37 1.611 6.554 -10.737 221 HZ1 LYS 37 3HZ LYS 37 0.398 8.494 -11.481 222 HZ2 LYS 37 1HZ LYS 37 -0.571 8.450 -10.097 223 HZ3 LYS 37 2HZ LYS 37 -0.664 7.214 -11.226 224 H SER 38 H SER 38 -2.124 4.201 -5.869 225 HA SER 38 HA SER 38 -3.564 6.369 -7.160 226 HB2 SER 38 2HB SER 38 -4.559 3.643 -6.292 227 HB3 SER 38 1HB SER 38 -5.411 4.786 -7.334 228 HG SER 38 HG SER 38 -3.418 3.019 -7.894 229 H TYR 39 H TYR 39 -2.501 6.192 -4.266 230 HA TYR 39 HA TYR 39 -2.901 7.208 -2.351 231 HB2 TYR 39 2HB TYR 39 -5.248 8.449 -3.785 232 HB3 TYR 39 1HB TYR 39 -4.596 9.003 -2.242 233 HD1 TYR 39 2HD TYR 39 -2.015 9.500 -2.239 234 HD2 TYR 39 1HD TYR 39 -4.420 9.404 -5.744 235 HE1 TYR 39 2HE TYR 39 -0.318 10.806 -3.430 236 HE2 TYR 39 1HE TYR 39 -2.722 10.708 -6.948 237 HH TYR 39 HH TYR 39 -0.919 12.261 -6.393 238 H ASN 40 H ASN 40 -4.160 4.618 -2.857 239 HA ASN 40 HA ASN 40 -6.342 4.704 -0.914 240 HB2 ASN 40 2HB ASN 40 -5.433 2.533 -2.798 241 HB3 ASN 40 1HB ASN 40 -6.520 2.194 -1.459 242 HD21 ASN 40 1HD2 ASN 40 -6.167 3.702 -4.544 243 HD22 ASN 40 2HD2 ASN 40 -7.842 3.990 -4.828 244 H SER 41 H SER 41 -6.367 2.788 0.624 245 HA SER 41 HA SER 41 -3.867 2.839 2.072 246 HB2 SER 41 2HB SER 41 -5.375 1.950 3.882 247 HB3 SER 41 1HB SER 41 -5.815 3.552 3.283 248 HG SER 41 HG SER 41 -7.665 2.482 3.291 249 H CYS 42 H CYS 42 -3.376 0.725 3.236 250 HA CYS 42 HA CYS 42 -3.933 -1.497 1.430 251 HB2 CYS 42 2HB CYS 42 -1.504 -0.948 3.094 252 HB3 CYS 42 1HB CYS 42 -1.863 -2.563 2.486 253 H ALA 43 H ALA 43 -5.203 -0.386 3.960 254 HA ALA 43 HA ALA 43 -5.265 -2.626 5.706 255 HB1 ALA 43 1HB ALA 43 -7.253 -1.533 6.689 256 HB2 ALA 43 2HB ALA 43 -7.268 -0.386 5.351 257 HB3 ALA 43 3HB ALA 43 -5.922 -0.393 6.489 258 H GLY 44 H GLY 44 -6.018 -4.530 5.094 259 HA2 GLY 44 2HA GLY 44 -7.918 -5.874 4.470 260 HA3 GLY 44 1HA GLY 44 -8.390 -4.597 3.356 261 H CYS 45 H CYS 45 -5.174 -4.703 2.980 262 HA CYS 45 HA CYS 45 -5.314 -6.321 0.587 263 HB2 CYS 45 2HB CYS 45 -2.974 -4.906 1.877 264 HB3 CYS 45 1HB CYS 45 -2.935 -5.705 0.315 265 H HIS 46 H HIS 46 -3.006 -7.605 0.385 266 HA HIS 46 HA HIS 46 -2.793 -9.272 2.775 267 HB2 HIS 46 2HB HIS 46 -2.673 -10.096 -0.136 268 HB3 HIS 46 1HB HIS 46 -2.162 -11.144 1.185 269 HD1 HIS 46 1HD HIS 46 -4.104 -11.769 2.931 270 HD2 HIS 46 2HD HIS 46 -5.364 -10.172 -0.681 271 HE1 HIS 46 1HE HIS 46 -6.550 -12.305 2.778 272 HE2 HIS 46 2HE HIS 46 -7.225 -11.553 0.497 273 H CYS 47 H CYS 47 -1.473 -6.897 2.033 274 HA CYS 47 HA CYS 47 1.111 -7.577 1.027 275 HB2 CYS 47 2HB CYS 47 1.610 -5.136 1.519 276 HB3 CYS 47 1HB CYS 47 0.353 -5.458 0.337 277 H VAL 48 H VAL 48 3.035 -7.462 2.051 278 HA VAL 48 HA VAL 48 3.004 -7.849 4.968 279 HB VAL 48 HB VAL 48 4.734 -9.277 2.908 280 HG11 VAL 48 1HG1 VAL 48 5.523 -10.650 4.766 281 HG12 VAL 48 2HG1 VAL 48 4.592 -9.661 5.889 282 HG13 VAL 48 3HG1 VAL 48 5.929 -8.949 4.988 283 HG21 VAL 48 3HG2 VAL 48 3.520 -11.320 3.557 284 HG22 VAL 48 1HG2 VAL 48 2.453 -10.114 2.836 285 HG23 VAL 48 2HG2 VAL 48 2.462 -10.352 4.581 286 H GLY 49 H GLY 49 4.422 -6.513 6.010 287 HA2 GLY 49 2HA GLY 49 6.087 -4.938 6.309 288 HA3 GLY 49 1HA GLY 49 6.796 -5.487 4.788 289 H CYS 50 H CYS 50 3.743 -4.062 5.704 290 HA CYS 50 HA CYS 50 3.832 -2.426 3.314 291 HB2 CYS 50 2HB CYS 50 1.811 -3.624 3.507 292 HB3 CYS 50 1HB CYS 50 1.619 -3.166 5.195 293 H LYS 51 H LYS 51 4.655 -0.463 3.549 294 HA LYS 51 HA LYS 51 3.774 1.030 5.907 295 HB2 LYS 51 2HB LYS 51 5.939 1.741 3.898 296 HB3 LYS 51 1HB LYS 51 5.526 2.673 5.324 297 HG2 LYS 51 2HG LYS 51 6.747 -0.070 5.256 298 HG3 LYS 51 1HG LYS 51 7.584 1.435 5.635 299 HD2 LYS 51 2HD LYS 51 6.109 1.704 7.601 300 HD3 LYS 51 1HD LYS 51 5.356 0.155 7.218 301 HE2 LYS 51 2HE LYS 51 8.256 0.622 7.896 302 HE3 LYS 51 1HE LYS 51 7.049 -0.127 8.934 303 HZ1 LYS 51 3HZ LYS 51 8.009 -1.216 6.337 304 HZ2 LYS 51 1HZ LYS 51 6.862 -1.947 7.345 305 HZ3 LYS 51 2HZ LYS 51 8.463 -1.743 7.846 306 H ASN 52 H ASN 52 1.744 1.487 5.175 307 HA ASN 52 HA ASN 52 1.609 3.004 2.682 308 HB2 ASN 52 2HB ASN 52 0.169 0.968 2.703 309 HB3 ASN 52 1HB ASN 52 -0.657 1.594 4.124 310 HD21 ASN 52 1HD2 ASN 52 -0.298 1.866 0.670 311 HD22 ASN 52 2HD2 ASN 52 -1.655 2.921 0.442 312 HA PRO 53 HA PRO 53 1.359 6.259 5.788 313 HB2 PRO 53 2HB PRO 53 1.191 7.845 3.278 314 HB3 PRO 53 1HB PRO 53 2.224 8.075 4.694 315 HG2 PRO 53 2HG PRO 53 3.286 7.072 2.513 316 HG3 PRO 53 1HG PRO 53 3.664 6.337 4.078 317 HD2 PRO 53 2HD PRO 53 1.706 5.415 2.005 318 HD3 PRO 53 1HD PRO 53 2.931 4.481 2.900 319 H HIS 54 H HIS 54 -1.042 5.178 3.744 320 HA HIS 54 HA HIS 54 -2.841 7.394 4.366 321 HB2 HIS 54 2HB HIS 54 -3.257 5.045 2.495 322 HB3 HIS 54 1HB HIS 54 -4.493 6.241 2.863 323 HD1 HIS 54 1HD HIS 54 -4.200 8.599 1.798 324 HD2 HIS 54 2HD HIS 54 -1.265 5.851 0.735 325 HE1 HIS 54 1HE HIS 54 -2.983 9.627 -0.132 326 HE2 HIS 54 2HE HIS 54 -1.023 8.117 -0.492 327 H LYS 55 H LYS 55 -4.542 7.189 5.587 328 HA LYS 55 HA LYS 55 -4.674 4.890 7.390 329 HB2 LYS 55 2HB LYS 55 -4.210 7.091 8.354 330 HB3 LYS 55 1HB LYS 55 -5.599 7.767 7.535 331 HG2 LYS 55 2HG LYS 55 -7.027 6.234 8.917 332 HG3 LYS 55 1HG LYS 55 -5.571 5.839 9.838 333 HD2 LYS 55 2HD LYS 55 -5.274 8.117 10.467 334 HD3 LYS 55 1HD LYS 55 -6.581 8.630 9.399 335 HE2 LYS 55 2HE LYS 55 -8.157 7.312 10.753 336 HE3 LYS 55 1HE LYS 55 -6.846 6.919 11.869 337 HZ1 LYS 55 3HZ LYS 55 -8.197 8.827 12.619 338 HZ2 LYS 55 1HZ LYS 55 -7.774 9.651 11.221 339 HZ3 LYS 55 2HZ LYS 55 -6.594 9.266 12.353 340 H GLU 56 H GLU 56 -6.925 4.254 7.977 341 HA GLU 56 HA GLU 56 -8.716 4.428 5.759 342 HB2 GLU 56 2HB GLU 56 -8.871 3.041 8.414 343 HB3 GLU 56 1HB GLU 56 -10.259 3.129 7.335 344 HG2 GLU 56 2HG GLU 56 -7.586 2.051 6.550 345 HG3 GLU 56 1HG GLU 56 -8.920 1.046 7.140 346 H ASP 57 H ASP 57 -9.135 6.506 5.599 347 HA ASP 57 HA ASP 57 -10.473 7.868 7.804 348 HB2 ASP 57 2HB ASP 57 -8.752 9.000 6.239 349 HB3 ASP 57 1HB ASP 57 -10.014 8.945 5.013 350 H TYR 58 H TYR 58 -12.668 8.029 7.862 351 HA TYR 58 HA TYR 58 -14.156 7.183 5.495 352 HB2 TYR 58 2HB TYR 58 -13.568 5.277 7.186 353 HB3 TYR 58 1HB TYR 58 -14.770 6.039 8.211 354 HD1 TYR 58 1HD TYR 58 -17.171 5.982 7.539 355 HD2 TYR 58 2HD TYR 58 -14.165 4.013 5.265 356 HE1 TYR 58 1HE TYR 58 -18.900 4.638 6.418 357 HE2 TYR 58 2HE TYR 58 -15.884 2.672 4.135 358 HH TYR 58 HH TYR 58 -19.166 3.420 4.323 359 H VAL 59 H VAL 59 -16.356 7.930 5.590 360 HA VAL 59 HA VAL 59 -16.633 10.145 7.404 361 HB VAL 59 HB VAL 59 -16.897 10.761 5.077 362 HG11 VAL 59 1HG1 VAL 59 -19.138 8.774 4.877 363 HG12 VAL 59 2HG1 VAL 59 -17.564 8.676 4.083 364 HG13 VAL 59 3HG1 VAL 59 -18.700 9.949 3.637 365 HG21 VAL 59 3HG2 VAL 59 -18.250 12.021 6.635 366 HG22 VAL 59 1HG2 VAL 59 -19.554 10.842 6.500 367 HG23 VAL 59 2HG2 VAL 59 -19.120 11.835 5.111 Start of MODEL 10 1 H1 SER 8 1HT SER 8 -18.884 2.173 -3.543 2 H2 SER 8 2HT SER 8 -19.167 3.116 -4.923 3 H3 SER 8 3HT SER 8 -19.398 3.768 -3.369 4 HA SER 8 HA SER 8 -17.328 4.508 -4.330 5 HB2 SER 8 2HB SER 8 -15.945 3.758 -2.343 6 HB3 SER 8 1HB SER 8 -17.521 4.427 -1.927 7 HG SER 8 HG SER 8 -16.640 2.211 -1.087 8 HA PRO 9 HA PRO 9 -14.945 1.495 -6.563 9 HB2 PRO 9 2HB PRO 9 -12.413 2.468 -6.333 10 HB3 PRO 9 1HB PRO 9 -13.622 3.219 -7.375 11 HG2 PRO 9 2HG PRO 9 -12.723 4.016 -4.646 12 HG3 PRO 9 1HG PRO 9 -13.090 5.040 -6.047 13 HD2 PRO 9 2HD PRO 9 -14.816 4.675 -3.983 14 HD3 PRO 9 1HD PRO 9 -15.339 4.990 -5.647 15 HA PRO 10 HA PRO 10 -13.570 -1.247 -3.248 16 HB2 PRO 10 2HB PRO 10 -12.548 -3.196 -4.912 17 HB3 PRO 10 1HB PRO 10 -14.255 -3.074 -4.471 18 HG2 PRO 10 2HG PRO 10 -12.861 -2.141 -6.940 19 HG3 PRO 10 1HG PRO 10 -14.445 -2.920 -6.779 20 HD2 PRO 10 2HD PRO 10 -14.200 -0.287 -7.168 21 HD3 PRO 10 1HD PRO 10 -15.476 -0.965 -6.134 22 H LYS 11 H LYS 11 -11.716 -1.021 -2.179 23 HA LYS 11 HA LYS 11 -9.539 0.226 -3.435 24 HB2 LYS 11 2HB LYS 11 -9.876 -0.830 -0.638 25 HB3 LYS 11 1HB LYS 11 -8.377 -0.081 -1.186 26 HG2 LYS 11 2HG LYS 11 -9.672 1.926 -1.835 27 HG3 LYS 11 1HG LYS 11 -11.102 1.180 -1.130 28 HD2 LYS 11 2HD LYS 11 -8.575 1.707 0.414 29 HD3 LYS 11 1HD LYS 11 -9.878 2.874 0.296 30 HE2 LYS 11 2HE LYS 11 -11.398 1.088 1.254 31 HE3 LYS 11 1HE LYS 11 -9.941 0.143 1.563 32 HZ1 LYS 11 3HZ LYS 11 -10.571 1.463 3.535 33 HZ2 LYS 11 1HZ LYS 11 -10.462 2.866 2.615 34 HZ3 LYS 11 2HZ LYS 11 -9.088 1.980 2.922 35 HA PRO 12 HA PRO 12 -7.479 -3.210 -5.108 36 HB2 PRO 12 2HB PRO 12 -4.971 -1.752 -4.824 37 HB3 PRO 12 1HB PRO 12 -5.777 -2.296 -6.292 38 HG2 PRO 12 2HG PRO 12 -5.674 0.321 -5.584 39 HG3 PRO 12 1HG PRO 12 -7.022 -0.381 -6.496 40 HD2 PRO 12 2HD PRO 12 -6.874 0.386 -3.630 41 HD3 PRO 12 1HD PRO 12 -8.232 0.433 -4.776 42 H LYS 13 H LYS 13 -6.439 -4.913 -4.405 43 HA LYS 13 HA LYS 13 -5.210 -4.725 -1.781 44 HB2 LYS 13 2HB LYS 13 -5.575 -7.196 -1.665 45 HB3 LYS 13 1HB LYS 13 -7.020 -6.197 -1.547 46 HG2 LYS 13 2HG LYS 13 -7.512 -6.677 -3.919 47 HG3 LYS 13 1HG LYS 13 -6.084 -7.707 -3.994 48 HD2 LYS 13 2HD LYS 13 -7.047 -9.182 -2.315 49 HD3 LYS 13 1HD LYS 13 -8.464 -8.134 -2.182 50 HE2 LYS 13 2HE LYS 13 -9.012 -8.553 -4.506 51 HE3 LYS 13 1HE LYS 13 -7.579 -9.564 -4.687 52 HZ1 LYS 13 3HZ LYS 13 -9.911 -10.149 -2.924 53 HZ2 LYS 13 1HZ LYS 13 -8.523 -11.106 -3.101 54 HZ3 LYS 13 2HZ LYS 13 -9.562 -10.867 -4.399 55 H CYS 14 H CYS 14 -3.225 -4.642 -1.869 56 HA CYS 14 HA CYS 14 -1.746 -5.748 -4.119 57 HB2 CYS 14 2HB CYS 14 0.175 -4.434 -3.278 58 HB3 CYS 14 1HB CYS 14 -1.246 -3.442 -3.558 59 H ARG 15 H ARG 15 0.173 -7.020 -3.750 60 HA ARG 15 HA ARG 15 0.016 -8.609 -1.273 61 HB2 ARG 15 2HB ARG 15 0.815 -9.479 -4.058 62 HB3 ARG 15 1HB ARG 15 0.848 -10.524 -2.642 63 HG2 ARG 15 2HG ARG 15 -1.591 -10.195 -2.396 64 HG3 ARG 15 1HG ARG 15 -1.582 -9.211 -3.853 65 HD2 ARG 15 2HD ARG 15 -0.706 -11.206 -5.087 66 HD3 ARG 15 1HD ARG 15 -0.948 -12.152 -3.612 67 HE ARG 15 HE ARG 15 -3.246 -10.669 -4.422 68 HH11 ARG 15 1HH1 ARG 15 -1.631 -13.797 -4.803 69 HH12 ARG 15 2HH1 ARG 15 -2.990 -14.582 -5.447 70 HH21 ARG 15 1HH2 ARG 15 -5.096 -11.730 -5.287 71 HH22 ARG 15 2HH2 ARG 15 -5.019 -13.375 -5.725 72 H CYS 16 H CYS 16 1.485 -6.237 -1.681 73 HA CYS 16 HA CYS 16 4.233 -6.534 -2.189 74 HB2 CYS 16 2HB CYS 16 2.877 -4.645 -0.241 75 HB3 CYS 16 1HB CYS 16 4.500 -4.460 -0.886 76 H GLY 17 H GLY 17 5.520 -7.936 -1.149 77 HA2 GLY 17 2HA GLY 17 6.650 -8.207 1.088 78 HA3 GLY 17 1HA GLY 17 5.021 -8.420 1.729 79 H ILE 18 H ILE 18 3.919 -9.915 -0.338 80 HA ILE 18 HA ILE 18 5.030 -12.523 0.119 81 HB ILE 18 HB ILE 18 2.992 -11.637 -1.976 82 HG12 ILE 18 2HG1 ILE 18 2.532 -12.760 0.805 83 HG13 ILE 18 1HG1 ILE 18 2.231 -11.104 0.298 84 HG21 ILE 18 1HG2 ILE 18 2.305 -14.003 -2.037 85 HG22 ILE 18 2HG2 ILE 18 3.581 -14.399 -0.889 86 HG23 ILE 18 3HG2 ILE 18 3.999 -13.812 -2.496 87 HD11 ILE 18 3HD1 ILE 18 0.491 -11.909 -1.242 88 HD12 ILE 18 1HD1 ILE 18 0.170 -12.362 0.432 89 HD13 ILE 18 2HD1 ILE 18 0.797 -13.557 -0.701 90 H SER 19 H SER 19 4.920 -10.111 -2.342 91 HA SER 19 HA SER 19 7.360 -11.160 -3.529 92 HB2 SER 19 2HB SER 19 5.393 -11.467 -5.067 93 HB3 SER 19 1HB SER 19 5.081 -9.732 -4.951 94 HG SER 19 HG SER 19 7.252 -11.082 -6.111 95 H GLY 20 H GLY 20 8.933 -9.683 -3.133 96 HA2 GLY 20 2HA GLY 20 8.892 -6.999 -3.651 97 HA3 GLY 20 1HA GLY 20 8.254 -7.132 -2.016 98 H SER 21 H SER 21 10.924 -8.399 -3.953 99 HA SER 21 HA SER 21 12.633 -8.673 -1.680 100 HB2 SER 21 2HB SER 21 13.305 -8.752 -4.625 101 HB3 SER 21 1HB SER 21 14.241 -9.448 -3.299 102 HG SER 21 HG SER 21 13.010 -11.130 -3.339 103 H SER 22 H SER 22 14.392 -7.351 -1.188 104 HA SER 22 HA SER 22 15.731 -5.618 -1.046 105 HB2 SER 22 2HB SER 22 14.765 -4.829 -3.804 106 HB3 SER 22 1HB SER 22 16.156 -4.128 -2.976 107 HG SER 22 HG SER 22 16.421 -6.745 -2.899 108 H ASN 23 H ASN 23 12.544 -4.682 -2.279 109 HA ASN 23 HA ASN 23 12.726 -2.410 -0.479 110 HB2 ASN 23 2HB ASN 23 10.807 -1.371 -1.677 111 HB3 ASN 23 1HB ASN 23 12.192 -1.640 -2.710 112 HD21 ASN 23 1HD2 ASN 23 12.032 -3.171 -4.358 113 HD22 ASN 23 2HD2 ASN 23 10.516 -3.779 -4.912 114 H THR 24 H THR 24 12.409 -3.594 1.387 115 HA THR 24 HA THR 24 9.583 -4.281 1.807 116 HB THR 24 HB THR 24 11.925 -4.958 3.630 117 HG1 THR 24 1HG THR 24 11.245 -5.915 1.193 118 HG21 THR 24 3HG2 THR 24 10.397 -6.726 4.428 119 HG22 THR 24 1HG2 THR 24 9.164 -6.172 3.295 120 HG23 THR 24 2HG2 THR 24 9.666 -5.130 4.626 121 H LEU 25 H LEU 25 11.891 -1.961 2.246 122 HA LEU 25 HA LEU 25 10.604 -0.749 4.553 123 HB2 LEU 25 2HB LEU 25 12.426 0.753 4.714 124 HB3 LEU 25 1HB LEU 25 13.117 -0.802 4.354 125 HG LEU 25 HG LEU 25 12.799 1.488 2.395 126 HD11 LEU 25 1HD1 LEU 25 15.231 0.402 3.772 127 HD12 LEU 25 2HD1 LEU 25 14.437 1.942 4.100 128 HD13 LEU 25 3HD1 LEU 25 15.217 1.665 2.542 129 HD21 LEU 25 3HD2 LEU 25 12.746 -0.689 1.237 130 HD22 LEU 25 1HD2 LEU 25 14.259 -1.134 2.040 131 HD23 LEU 25 2HD2 LEU 25 14.231 0.204 0.898 132 H THR 26 H THR 26 10.414 -0.729 1.206 133 HA THR 26 HA THR 26 8.805 1.682 1.277 134 HB THR 26 HB THR 26 9.708 2.056 -1.140 135 HG1 THR 26 1HG THR 26 11.362 0.967 -1.718 136 HG21 THR 26 3HG2 THR 26 11.574 3.435 -0.282 137 HG22 THR 26 1HG2 THR 26 11.426 2.641 1.282 138 HG23 THR 26 2HG2 THR 26 10.105 3.640 0.672 139 H THR 27 H THR 27 8.155 -1.250 1.298 140 HA THR 27 HA THR 27 7.527 -2.471 -1.057 141 HB THR 27 HB THR 27 5.517 -2.882 0.937 142 HG1 THR 27 1HG THR 27 6.915 -3.159 2.754 143 HG21 THR 27 3HG2 THR 27 6.493 -4.636 -0.537 144 HG22 THR 27 1HG2 THR 27 6.619 -5.060 1.170 145 HG23 THR 27 2HG2 THR 27 8.033 -4.454 0.297 146 H CYS 28 H CYS 28 5.187 -0.892 1.057 147 HA CYS 28 HA CYS 28 3.393 -0.413 -1.140 148 HB2 CYS 28 2HB CYS 28 3.012 -0.206 1.844 149 HB3 CYS 28 1HB CYS 28 1.765 0.265 0.686 150 H ARG 29 H ARG 29 5.876 1.195 0.053 151 HA ARG 29 HA ARG 29 4.651 3.846 0.179 152 HB2 ARG 29 2HB ARG 29 6.193 3.098 1.983 153 HB3 ARG 29 1HB ARG 29 7.466 2.958 0.783 154 HG2 ARG 29 2HG ARG 29 7.405 5.366 0.421 155 HG3 ARG 29 1HG ARG 29 6.110 5.512 1.608 156 HD2 ARG 29 2HD ARG 29 7.528 4.704 3.355 157 HD3 ARG 29 1HD ARG 29 8.831 4.366 2.215 158 HE ARG 29 HE ARG 29 8.299 7.039 1.947 159 HH11 ARG 29 1HH1 ARG 29 9.247 4.968 4.640 160 HH12 ARG 29 2HH1 ARG 29 10.189 6.153 5.407 161 HH21 ARG 29 1HH2 ARG 29 9.596 8.685 3.027 162 HH22 ARG 29 2HH2 ARG 29 10.384 8.301 4.491 163 H ASN 30 H ASN 30 5.630 2.036 -2.307 164 HA ASN 30 HA ASN 30 6.861 4.353 -3.625 165 HB2 ASN 30 2HB ASN 30 8.298 3.016 -4.938 166 HB3 ASN 30 1HB ASN 30 8.415 2.346 -3.320 167 HD21 ASN 30 1HD2 ASN 30 7.519 0.296 -2.935 168 HD22 ASN 30 2HD2 ASN 30 7.090 -0.752 -4.235 169 H SER 31 H SER 31 6.612 4.225 -6.096 170 HA SER 31 HA SER 31 3.871 4.549 -6.552 171 HB2 SER 31 2HB SER 31 6.131 4.508 -8.525 172 HB3 SER 31 1HB SER 31 4.547 5.247 -8.757 173 HG SER 31 HG SER 31 6.621 6.399 -7.839 174 H ARG 32 H ARG 32 5.670 1.645 -6.751 175 HA ARG 32 HA ARG 32 4.060 0.576 -8.907 176 HB2 ARG 32 2HB ARG 32 6.173 -0.723 -7.183 177 HB3 ARG 32 1HB ARG 32 5.321 -1.532 -8.487 178 HG2 ARG 32 2HG ARG 32 7.069 0.900 -8.813 179 HG3 ARG 32 1HG ARG 32 7.561 -0.762 -9.137 180 HD2 ARG 32 2HD ARG 32 5.352 0.748 -10.552 181 HD3 ARG 32 1HD ARG 32 6.948 0.377 -11.200 182 HE ARG 32 HE ARG 32 5.890 -2.021 -10.447 183 HH11 ARG 32 1HH1 ARG 32 5.056 0.472 -12.802 184 HH12 ARG 32 2HH1 ARG 32 4.229 -0.581 -13.845 185 HH21 ARG 32 1HH2 ARG 32 4.801 -3.458 -11.828 186 HH22 ARG 32 2HH2 ARG 32 4.055 -2.909 -13.267 187 H CYS 33 H CYS 33 3.571 1.132 -5.705 188 HA CYS 33 HA CYS 33 1.992 -1.242 -5.296 189 HB2 CYS 33 2HB CYS 33 3.278 -0.300 -3.399 190 HB3 CYS 33 1HB CYS 33 2.372 1.203 -3.535 191 HA PRO 34 HA PRO 34 -1.338 0.782 -7.447 192 HB2 PRO 34 2HB PRO 34 -3.320 -1.000 -6.746 193 HB3 PRO 34 1HB PRO 34 -2.160 -1.271 -8.051 194 HG2 PRO 34 2HG PRO 34 -2.135 -2.294 -5.247 195 HG3 PRO 34 1HG PRO 34 -1.715 -3.138 -6.746 196 HD2 PRO 34 2HD PRO 34 0.157 -2.187 -5.066 197 HD3 PRO 34 1HD PRO 34 0.403 -2.197 -6.823 198 H CYS 35 H CYS 35 -1.220 0.209 -4.129 199 HA CYS 35 HA CYS 35 -3.649 1.610 -3.477 200 HB2 CYS 35 2HB CYS 35 -1.362 0.671 -1.778 201 HB3 CYS 35 1HB CYS 35 -2.862 1.346 -1.148 202 H TYR 36 H TYR 36 -0.218 2.145 -2.859 203 HA TYR 36 HA TYR 36 -0.174 4.643 -1.765 204 HB2 TYR 36 2HB TYR 36 1.794 3.260 -1.909 205 HB3 TYR 36 1HB TYR 36 1.779 3.355 -3.662 206 HD1 TYR 36 2HD TYR 36 2.498 5.227 -0.565 207 HD2 TYR 36 1HD TYR 36 2.740 5.225 -4.805 208 HE1 TYR 36 2HE TYR 36 4.039 7.155 -0.480 209 HE2 TYR 36 1HE TYR 36 4.280 7.135 -4.738 210 HH TYR 36 HH TYR 36 4.921 8.909 -3.314 211 H LYS 37 H LYS 37 0.300 3.973 -5.217 212 HA LYS 37 HA LYS 37 0.425 6.728 -5.876 213 HB2 LYS 37 2HB LYS 37 1.617 4.913 -7.074 214 HB3 LYS 37 1HB LYS 37 0.079 4.364 -7.709 215 HG2 LYS 37 2HG LYS 37 -0.204 6.454 -8.918 216 HG3 LYS 37 1HG LYS 37 1.295 7.069 -8.228 217 HD2 LYS 37 2HD LYS 37 2.567 5.332 -9.349 218 HD3 LYS 37 1HD LYS 37 1.087 4.612 -9.968 219 HE2 LYS 37 2HE LYS 37 2.075 7.383 -10.617 220 HE3 LYS 37 1HE LYS 37 2.238 5.969 -11.666 221 HZ1 LYS 37 3HZ LYS 37 -0.214 5.826 -11.692 222 HZ2 LYS 37 1HZ LYS 37 0.360 7.283 -12.328 223 HZ3 LYS 37 2HZ LYS 37 -0.294 7.249 -10.792 224 H SER 38 H SER 38 -2.182 4.606 -5.470 225 HA SER 38 HA SER 38 -3.932 6.366 -7.024 226 HB2 SER 38 2HB SER 38 -4.529 3.635 -5.888 227 HB3 SER 38 1HB SER 38 -5.556 4.558 -6.983 228 HG SER 38 HG SER 38 -3.534 2.925 -7.505 229 H TYR 39 H TYR 39 -2.728 6.426 -4.126 230 HA TYR 39 HA TYR 39 -3.213 7.494 -2.202 231 HB2 TYR 39 2HB TYR 39 -5.682 8.433 -3.695 232 HB3 TYR 39 1HB TYR 39 -5.097 9.104 -2.173 233 HD1 TYR 39 2HD TYR 39 -2.918 10.292 -2.126 234 HD2 TYR 39 1HD TYR 39 -4.717 9.072 -5.775 235 HE1 TYR 39 2HE TYR 39 -1.437 11.809 -3.360 236 HE2 TYR 39 1HE TYR 39 -3.234 10.589 -7.019 237 HH TYR 39 HH TYR 39 -1.921 12.606 -6.602 238 H ASN 40 H ASN 40 -4.108 4.752 -2.538 239 HA ASN 40 HA ASN 40 -6.537 4.704 -0.880 240 HB2 ASN 40 2HB ASN 40 -5.212 2.410 -2.341 241 HB3 ASN 40 1HB ASN 40 -6.614 2.265 -1.305 242 HD21 ASN 40 1HD2 ASN 40 -5.438 3.076 -4.372 243 HD22 ASN 40 2HD2 ASN 40 -6.976 3.355 -5.121 244 H SER 41 H SER 41 -6.627 3.049 0.755 245 HA SER 41 HA SER 41 -4.177 2.944 2.302 246 HB2 SER 41 2HB SER 41 -5.900 2.251 4.074 247 HB3 SER 41 1HB SER 41 -5.939 3.930 3.529 248 HG SER 41 HG SER 41 -7.750 3.542 2.369 249 H CYS 42 H CYS 42 -3.566 0.911 3.223 250 HA CYS 42 HA CYS 42 -4.310 -1.313 1.565 251 HB2 CYS 42 2HB CYS 42 -2.099 -1.015 3.589 252 HB3 CYS 42 1HB CYS 42 -2.475 -2.537 2.791 253 H ALA 43 H ALA 43 -6.332 -1.142 2.441 254 HA ALA 43 HA ALA 43 -6.626 -2.775 4.863 255 HB1 ALA 43 1HB ALA 43 -8.625 -0.853 3.645 256 HB2 ALA 43 2HB ALA 43 -7.633 -0.539 5.071 257 HB3 ALA 43 3HB ALA 43 -8.861 -1.802 5.117 258 H GLY 44 H GLY 44 -6.913 -4.798 4.288 259 HA2 GLY 44 2HA GLY 44 -8.316 -6.490 3.355 260 HA3 GLY 44 1HA GLY 44 -8.724 -5.378 2.054 261 H CYS 45 H CYS 45 -5.562 -5.062 2.683 262 HA CYS 45 HA CYS 45 -4.801 -6.458 0.252 263 HB2 CYS 45 2HB CYS 45 -3.156 -4.770 2.132 264 HB3 CYS 45 1HB CYS 45 -2.630 -5.380 0.569 265 H HIS 46 H HIS 46 -2.801 -7.761 0.262 266 HA HIS 46 HA HIS 46 -2.555 -9.326 2.729 267 HB2 HIS 46 2HB HIS 46 -2.399 -10.149 -0.167 268 HB3 HIS 46 1HB HIS 46 -1.615 -11.106 1.087 269 HD1 HIS 46 1HD HIS 46 -3.011 -12.880 2.030 270 HD2 HIS 46 2HD HIS 46 -5.308 -9.823 0.442 271 HE1 HIS 46 1HE HIS 46 -5.389 -13.648 2.248 272 HE2 HIS 46 2HE HIS 46 -6.717 -11.612 1.616 273 H CYS 47 H CYS 47 -1.293 -6.894 2.031 274 HA CYS 47 HA CYS 47 1.402 -7.542 1.366 275 HB2 CYS 47 2HB CYS 47 1.835 -5.125 1.921 276 HB3 CYS 47 1HB CYS 47 0.748 -5.433 0.582 277 H VAL 48 H VAL 48 3.001 -7.808 2.600 278 HA VAL 48 HA VAL 48 2.604 -7.822 5.519 279 HB VAL 48 HB VAL 48 4.361 -9.718 3.922 280 HG11 VAL 48 1HG1 VAL 48 4.560 -10.964 6.039 281 HG12 VAL 48 2HG1 VAL 48 3.635 -9.698 6.845 282 HG13 VAL 48 3HG1 VAL 48 5.210 -9.327 6.149 283 HG21 VAL 48 3HG2 VAL 48 2.742 -11.485 4.476 284 HG22 VAL 48 1HG2 VAL 48 2.016 -10.221 3.486 285 HG23 VAL 48 2HG2 VAL 48 1.688 -10.282 5.218 286 H GLY 49 H GLY 49 3.874 -6.366 6.419 287 HA2 GLY 49 2HA GLY 49 5.834 -5.144 6.810 288 HA3 GLY 49 1HA GLY 49 6.512 -5.793 5.305 289 H CYS 50 H CYS 50 3.429 -4.288 5.927 290 HA CYS 50 HA CYS 50 3.616 -2.712 3.562 291 HB2 CYS 50 2HB CYS 50 1.505 -3.667 3.954 292 HB3 CYS 50 1HB CYS 50 1.505 -3.185 5.646 293 H LYS 51 H LYS 51 4.872 -0.969 3.762 294 HA LYS 51 HA LYS 51 4.218 0.806 5.997 295 HB2 LYS 51 2HB LYS 51 6.596 0.863 4.111 296 HB3 LYS 51 1HB LYS 51 6.289 2.004 5.413 297 HG2 LYS 51 2HG LYS 51 6.552 0.304 7.054 298 HG3 LYS 51 1HG LYS 51 6.687 -0.939 5.803 299 HD2 LYS 51 2HD LYS 51 8.746 0.118 5.002 300 HD3 LYS 51 1HD LYS 51 8.616 1.334 6.269 301 HE2 LYS 51 2HE LYS 51 10.198 -0.458 6.851 302 HE3 LYS 51 1HE LYS 51 8.857 -0.362 7.984 303 HZ1 LYS 51 3HZ LYS 51 9.086 -2.333 5.752 304 HZ2 LYS 51 1HZ LYS 51 7.841 -2.264 6.909 305 HZ3 LYS 51 2HZ LYS 51 9.406 -2.636 7.379 306 H ASN 52 H ASN 52 2.369 1.578 5.133 307 HA ASN 52 HA ASN 52 2.666 2.960 2.576 308 HB2 ASN 52 2HB ASN 52 0.912 1.232 2.485 309 HB3 ASN 52 1HB ASN 52 0.112 1.962 3.866 310 HD21 ASN 52 1HD2 ASN 52 -1.725 2.157 2.615 311 HD22 ASN 52 2HD2 ASN 52 -1.969 3.392 1.430 312 HA PRO 53 HA PRO 53 2.375 6.486 5.280 313 HB2 PRO 53 2HB PRO 53 2.961 8.360 3.437 314 HB3 PRO 53 1HB PRO 53 4.185 7.293 4.135 315 HG2 PRO 53 2HG PRO 53 2.766 7.063 1.511 316 HG3 PRO 53 1HG PRO 53 4.493 6.865 1.862 317 HD2 PRO 53 2HD PRO 53 2.806 4.768 1.577 318 HD3 PRO 53 1HD PRO 53 4.207 4.717 2.662 319 H HIS 54 H HIS 54 0.267 5.481 2.955 320 HA HIS 54 HA HIS 54 -1.357 7.916 3.067 321 HB2 HIS 54 2HB HIS 54 -1.665 5.465 1.366 322 HB3 HIS 54 1HB HIS 54 -2.885 6.724 1.450 323 HD1 HIS 54 1HD HIS 54 -2.469 8.850 0.174 324 HD2 HIS 54 2HD HIS 54 0.712 6.208 0.042 325 HE1 HIS 54 1HE HIS 54 -0.939 9.738 -1.599 326 HE2 HIS 54 2HE HIS 54 0.862 8.043 -1.807 327 H LYS 55 H LYS 55 -2.123 7.867 5.074 328 HA LYS 55 HA LYS 55 -3.866 5.658 5.734 329 HB2 LYS 55 2HB LYS 55 -4.279 6.828 7.937 330 HB3 LYS 55 1HB LYS 55 -2.613 6.388 7.674 331 HG2 LYS 55 2HG LYS 55 -2.481 8.497 8.655 332 HG3 LYS 55 1HG LYS 55 -2.315 8.848 6.943 333 HD2 LYS 55 2HD LYS 55 -4.670 9.504 6.834 334 HD3 LYS 55 1HD LYS 55 -4.871 9.104 8.542 335 HE2 LYS 55 2HE LYS 55 -4.590 11.507 8.291 336 HE3 LYS 55 1HE LYS 55 -3.199 10.826 9.115 337 HZ1 LYS 55 3HZ LYS 55 -3.299 11.551 6.230 338 HZ2 LYS 55 1HZ LYS 55 -1.965 10.893 7.037 339 HZ3 LYS 55 2HZ LYS 55 -2.527 12.422 7.443 340 H GLU 56 H GLU 56 -5.952 5.634 5.515 341 HA GLU 56 HA GLU 56 -7.031 7.811 3.935 342 HB2 GLU 56 2HB GLU 56 -7.203 5.481 3.181 343 HB3 GLU 56 1HB GLU 56 -8.175 5.104 4.592 344 HG2 GLU 56 2HG GLU 56 -9.927 6.569 3.783 345 HG3 GLU 56 1HG GLU 56 -8.926 7.033 2.405 346 H ASP 57 H ASP 57 -8.654 9.083 4.572 347 HA ASP 57 HA ASP 57 -9.931 8.540 7.123 348 HB2 ASP 57 2HB ASP 57 -7.896 10.188 7.248 349 HB3 ASP 57 1HB ASP 57 -8.954 11.294 6.383 350 H TYR 58 H TYR 58 -11.541 10.802 7.123 351 HA TYR 58 HA TYR 58 -13.050 10.307 4.702 352 HB2 TYR 58 2HB TYR 58 -13.948 11.137 7.453 353 HB3 TYR 58 1HB TYR 58 -14.994 10.910 6.051 354 HD1 TYR 58 1HD TYR 58 -15.183 8.645 5.029 355 HD2 TYR 58 2HD TYR 58 -13.209 9.278 8.737 356 HE1 TYR 58 1HE TYR 58 -15.293 6.243 5.488 357 HE2 TYR 58 2HE TYR 58 -13.320 6.872 9.208 358 HH TYR 58 HH TYR 58 -14.712 4.930 8.508 359 H VAL 59 H VAL 59 -12.783 11.848 3.333 360 HA VAL 59 HA VAL 59 -12.134 14.528 4.140 361 HB VAL 59 HB VAL 59 -12.681 13.403 1.369 362 HG11 VAL 59 1HG1 VAL 59 -12.910 15.837 1.480 363 HG12 VAL 59 2HG1 VAL 59 -11.500 15.371 0.537 364 HG13 VAL 59 3HG1 VAL 59 -11.294 15.963 2.179 365 HG21 VAL 59 3HG2 VAL 59 -10.799 12.263 2.423 366 HG22 VAL 59 1HG2 VAL 59 -10.046 13.812 2.786 367 HG23 VAL 59 2HG2 VAL 59 -10.237 13.303 1.112 Start of MODEL 11 1 H1 SER 8 1HT SER 8 -20.773 0.147 -2.281 2 H2 SER 8 2HT SER 8 -20.698 1.319 -1.056 3 H3 SER 8 3HT SER 8 -20.347 -0.315 -0.724 4 HA SER 8 HA SER 8 -18.823 1.415 -2.527 5 HB2 SER 8 2HB SER 8 -18.204 0.394 0.257 6 HB3 SER 8 1HB SER 8 -17.091 1.306 -0.765 7 HG SER 8 HG SER 8 -19.142 2.192 0.806 8 HA PRO 9 HA PRO 9 -17.633 -2.696 -3.850 9 HB2 PRO 9 2HB PRO 9 -16.082 -1.968 -5.935 10 HB3 PRO 9 1HB PRO 9 -17.844 -1.849 -6.010 11 HG2 PRO 9 2HG PRO 9 -15.822 0.297 -5.560 12 HG3 PRO 9 1HG PRO 9 -17.331 0.347 -6.487 13 HD2 PRO 9 2HD PRO 9 -17.019 1.328 -3.919 14 HD3 PRO 9 1HD PRO 9 -18.568 0.888 -4.656 15 HA PRO 10 HA PRO 10 -13.689 -3.369 -1.911 16 HB2 PRO 10 2HB PRO 10 -12.935 -4.995 -4.293 17 HB3 PRO 10 1HB PRO 10 -12.922 -5.448 -2.584 18 HG2 PRO 10 2HG PRO 10 -14.824 -6.374 -4.179 19 HG3 PRO 10 1HG PRO 10 -15.213 -5.835 -2.535 20 HD2 PRO 10 2HD PRO 10 -15.651 -4.417 -5.135 21 HD3 PRO 10 1HD PRO 10 -16.706 -4.535 -3.708 22 H LYS 11 H LYS 11 -12.022 -2.084 -1.839 23 HA LYS 11 HA LYS 11 -11.275 -0.443 -4.079 24 HB2 LYS 11 2HB LYS 11 -9.764 0.668 -2.489 25 HB3 LYS 11 1HB LYS 11 -11.368 0.489 -1.802 26 HG2 LYS 11 2HG LYS 11 -10.546 -1.471 -0.508 27 HG3 LYS 11 1HG LYS 11 -8.935 -1.179 -1.155 28 HD2 LYS 11 2HD LYS 11 -9.065 -0.206 1.054 29 HD3 LYS 11 1HD LYS 11 -9.006 1.099 -0.126 30 HE2 LYS 11 2HE LYS 11 -11.487 1.306 0.039 31 HE3 LYS 11 1HE LYS 11 -11.462 0.040 1.268 32 HZ1 LYS 11 3HZ LYS 11 -10.200 1.458 2.710 33 HZ2 LYS 11 1HZ LYS 11 -11.557 2.303 2.193 34 HZ3 LYS 11 2HZ LYS 11 -10.048 2.638 1.531 35 HA PRO 12 HA PRO 12 -7.852 -2.819 -5.623 36 HB2 PRO 12 2HB PRO 12 -6.088 -0.485 -5.365 37 HB3 PRO 12 1HB PRO 12 -6.466 -1.417 -6.804 38 HG2 PRO 12 2HG PRO 12 -7.508 1.027 -6.493 39 HG3 PRO 12 1HG PRO 12 -8.460 -0.284 -7.211 40 HD2 PRO 12 2HD PRO 12 -8.589 0.859 -4.455 41 HD3 PRO 12 1HD PRO 12 -9.904 0.297 -5.507 42 H LYS 13 H LYS 13 -6.194 -3.990 -4.864 43 HA LYS 13 HA LYS 13 -5.122 -3.377 -2.228 44 HB2 LYS 13 2HB LYS 13 -6.505 -5.952 -3.016 45 HB3 LYS 13 1HB LYS 13 -5.564 -5.749 -1.542 46 HG2 LYS 13 2HG LYS 13 -7.095 -4.112 -0.713 47 HG3 LYS 13 1HG LYS 13 -7.957 -4.065 -2.245 48 HD2 LYS 13 2HD LYS 13 -8.636 -6.417 -1.885 49 HD3 LYS 13 1HD LYS 13 -7.822 -6.382 -0.320 50 HE2 LYS 13 2HE LYS 13 -9.269 -4.609 0.451 51 HE3 LYS 13 1HE LYS 13 -10.022 -4.498 -1.139 52 HZ1 LYS 13 3HZ LYS 13 -10.168 -6.876 0.640 53 HZ2 LYS 13 1HZ LYS 13 -10.943 -6.685 -0.838 54 HZ3 LYS 13 2HZ LYS 13 -11.375 -5.719 0.460 55 H CYS 14 H CYS 14 -3.215 -4.518 -1.741 56 HA CYS 14 HA CYS 14 -1.787 -5.480 -4.121 57 HB2 CYS 14 2HB CYS 14 0.218 -4.349 -3.229 58 HB3 CYS 14 1HB CYS 14 -1.093 -3.233 -3.554 59 H ARG 15 H ARG 15 0.109 -6.816 -3.592 60 HA ARG 15 HA ARG 15 -0.202 -8.428 -1.145 61 HB2 ARG 15 2HB ARG 15 0.193 -9.269 -4.019 62 HB3 ARG 15 1HB ARG 15 0.459 -10.359 -2.669 63 HG2 ARG 15 2HG ARG 15 -1.738 -10.665 -2.307 64 HG3 ARG 15 1HG ARG 15 -2.123 -8.974 -2.625 65 HD2 ARG 15 2HD ARG 15 -1.514 -11.044 -4.736 66 HD3 ARG 15 1HD ARG 15 -3.131 -10.526 -4.262 67 HE ARG 15 HE ARG 15 -1.107 -8.780 -5.493 68 HH11 ARG 15 1HH1 ARG 15 -4.538 -9.605 -4.996 69 HH12 ARG 15 2HH1 ARG 15 -5.116 -8.398 -6.041 70 HH21 ARG 15 1HH2 ARG 15 -1.926 -7.133 -6.933 71 HH22 ARG 15 2HH2 ARG 15 -3.601 -6.940 -7.146 72 H CYS 16 H CYS 16 1.496 -6.249 -1.506 73 HA CYS 16 HA CYS 16 4.170 -6.823 -2.266 74 HB2 CYS 16 2HB CYS 16 3.257 -4.875 -0.134 75 HB3 CYS 16 1HB CYS 16 4.745 -4.808 -1.063 76 H GLY 17 H GLY 17 5.945 -7.548 -0.934 77 HA2 GLY 17 2HA GLY 17 6.972 -7.951 1.151 78 HA3 GLY 17 1HA GLY 17 5.388 -7.925 1.912 79 H ILE 18 H ILE 18 4.248 -9.763 -0.084 80 HA ILE 18 HA ILE 18 5.048 -12.273 1.029 81 HB ILE 18 HB ILE 18 3.535 -11.799 -1.579 82 HG12 ILE 18 2HG1 ILE 18 2.504 -12.003 1.265 83 HG13 ILE 18 1HG1 ILE 18 2.422 -10.614 0.212 84 HG21 ILE 18 1HG2 ILE 18 2.604 -14.042 -1.173 85 HG22 ILE 18 2HG2 ILE 18 3.583 -14.183 0.283 86 HG23 ILE 18 3HG2 ILE 18 4.367 -14.094 -1.292 87 HD11 ILE 18 3HD1 ILE 18 0.259 -11.691 0.349 88 HD12 ILE 18 1HD1 ILE 18 0.961 -13.206 -0.222 89 HD13 ILE 18 2HD1 ILE 18 0.909 -11.810 -1.289 90 H SER 19 H SER 19 5.393 -10.693 -2.045 91 HA SER 19 HA SER 19 7.891 -12.094 -2.537 92 HB2 SER 19 2HB SER 19 6.170 -12.040 -4.385 93 HB3 SER 19 1HB SER 19 6.218 -10.280 -4.321 94 HG SER 19 HG SER 19 8.435 -11.950 -4.872 95 H GLY 20 H GLY 20 9.645 -10.935 -1.936 96 HA2 GLY 20 2HA GLY 20 9.225 -8.114 -1.222 97 HA3 GLY 20 1HA GLY 20 10.478 -9.156 -0.560 98 H SER 21 H SER 21 10.305 -9.817 -3.737 99 HA SER 21 HA SER 21 12.695 -8.290 -4.283 100 HB2 SER 21 2HB SER 21 11.218 -10.272 -6.014 101 HB3 SER 21 1HB SER 21 12.860 -9.669 -6.277 102 HG SER 21 HG SER 21 12.122 -10.910 -3.857 103 H SER 22 H SER 22 9.453 -7.705 -4.513 104 HA SER 22 HA SER 22 9.411 -6.169 -6.905 105 HB2 SER 22 2HB SER 22 7.247 -5.397 -5.653 106 HB3 SER 22 1HB SER 22 7.351 -7.070 -6.210 107 HG SER 22 HG SER 22 6.739 -7.203 -4.120 108 H ASN 23 H ASN 23 9.365 -5.586 -3.432 109 HA ASN 23 HA ASN 23 11.504 -3.832 -3.330 110 HB2 ASN 23 2HB ASN 23 9.748 -2.257 -4.338 111 HB3 ASN 23 1HB ASN 23 8.827 -2.473 -2.850 112 HD21 ASN 23 1HD2 ASN 23 11.679 -1.117 -4.274 113 HD22 ASN 23 2HD2 ASN 23 12.136 -0.134 -2.944 114 H THR 24 H THR 24 11.917 -3.397 -1.038 115 HA THR 24 HA THR 24 10.292 -5.199 0.607 116 HB THR 24 HB THR 24 13.181 -4.416 1.005 117 HG1 THR 24 1HG THR 24 11.955 -6.307 -0.552 118 HG21 THR 24 3HG2 THR 24 11.989 -5.008 3.100 119 HG22 THR 24 1HG2 THR 24 13.213 -6.205 2.667 120 HG23 THR 24 2HG2 THR 24 11.517 -6.541 2.355 121 H LEU 25 H LEU 25 12.272 -2.201 1.074 122 HA LEU 25 HA LEU 25 10.996 -1.898 3.656 123 HB2 LEU 25 2HB LEU 25 13.278 -0.378 2.422 124 HB3 LEU 25 1HB LEU 25 12.702 -0.204 4.073 125 HG LEU 25 HG LEU 25 13.864 -2.744 2.922 126 HD11 LEU 25 1HD1 LEU 25 15.808 -2.279 4.271 127 HD12 LEU 25 2HD1 LEU 25 15.098 -0.771 4.818 128 HD13 LEU 25 3HD1 LEU 25 15.536 -0.976 3.114 129 HD21 LEU 25 3HD2 LEU 25 12.288 -3.205 4.718 130 HD22 LEU 25 1HD2 LEU 25 13.077 -2.003 5.743 131 HD23 LEU 25 2HD2 LEU 25 13.939 -3.461 5.280 132 H THR 26 H THR 26 10.478 -0.733 0.598 133 HA THR 26 HA THR 26 8.724 1.326 1.718 134 HB THR 26 HB THR 26 9.129 2.577 -0.520 135 HG1 THR 26 1HG THR 26 10.603 0.574 -1.070 136 HG21 THR 26 3HG2 THR 26 9.871 3.482 1.622 137 HG22 THR 26 1HG2 THR 26 11.085 3.788 0.379 138 HG23 THR 26 2HG2 THR 26 11.329 2.494 1.553 139 H THR 27 H THR 27 8.076 -1.348 1.222 140 HA THR 27 HA THR 27 7.243 -2.356 -1.097 141 HB THR 27 HB THR 27 5.204 -3.064 0.450 142 HG1 THR 27 1HG THR 27 6.682 -2.991 2.611 143 HG21 THR 27 3HG2 THR 27 8.051 -3.995 0.897 144 HG22 THR 27 1HG2 THR 27 6.956 -4.584 -0.360 145 HG23 THR 27 2HG2 THR 27 6.579 -4.879 1.331 146 H CYS 28 H CYS 28 5.043 -0.652 1.005 147 HA CYS 28 HA CYS 28 3.247 -0.243 -1.198 148 HB2 CYS 28 2HB CYS 28 2.864 0.123 1.739 149 HB3 CYS 28 1HB CYS 28 1.624 0.440 0.526 150 H ARG 29 H ARG 29 5.687 1.472 -0.055 151 HA ARG 29 HA ARG 29 4.330 4.050 -0.238 152 HB2 ARG 29 2HB ARG 29 5.859 3.616 1.688 153 HB3 ARG 29 1HB ARG 29 7.200 3.522 0.556 154 HG2 ARG 29 2HG ARG 29 6.854 5.841 -0.078 155 HG3 ARG 29 1HG ARG 29 5.455 5.936 0.981 156 HD2 ARG 29 2HD ARG 29 6.943 5.405 2.899 157 HD3 ARG 29 1HD ARG 29 8.328 5.517 1.807 158 HE ARG 29 HE ARG 29 7.415 7.840 1.344 159 HH11 ARG 29 1HH1 ARG 29 7.295 6.278 4.513 160 HH12 ARG 29 2HH1 ARG 29 7.087 7.723 5.382 161 HH21 ARG 29 1HH2 ARG 29 7.146 9.819 2.530 162 HH22 ARG 29 2HH2 ARG 29 7.041 9.794 4.223 163 H ASN 30 H ASN 30 6.062 2.027 -2.169 164 HA ASN 30 HA ASN 30 7.149 4.233 -3.759 165 HB2 ASN 30 2HB ASN 30 8.572 2.700 -4.904 166 HB3 ASN 30 1HB ASN 30 8.581 2.166 -3.234 167 HD21 ASN 30 1HD2 ASN 30 7.559 0.200 -2.727 168 HD22 ASN 30 2HD2 ASN 30 7.126 -0.930 -3.957 169 H SER 31 H SER 31 6.866 4.091 -6.182 170 HA SER 31 HA SER 31 4.106 4.328 -6.651 171 HB2 SER 31 2HB SER 31 6.389 4.351 -8.606 172 HB3 SER 31 1HB SER 31 4.751 4.932 -8.901 173 HG SER 31 HG SER 31 5.591 6.721 -8.252 174 H ARG 32 H ARG 32 6.093 1.537 -6.904 175 HA ARG 32 HA ARG 32 4.513 0.375 -8.986 176 HB2 ARG 32 2HB ARG 32 6.527 -0.899 -7.148 177 HB3 ARG 32 1HB ARG 32 5.728 -1.729 -8.476 178 HG2 ARG 32 2HG ARG 32 7.584 0.633 -8.710 179 HG3 ARG 32 1HG ARG 32 7.971 -1.044 -9.094 180 HD2 ARG 32 2HD ARG 32 5.954 0.721 -10.488 181 HD3 ARG 32 1HD ARG 32 7.499 0.165 -11.121 182 HE ARG 32 HE ARG 32 5.404 -1.761 -10.414 183 HH11 ARG 32 1HH1 ARG 32 7.430 -0.282 -12.918 184 HH12 ARG 32 2HH1 ARG 32 7.116 -1.510 -14.052 185 HH21 ARG 32 1HH2 ARG 32 4.943 -3.382 -12.011 186 HH22 ARG 32 2HH2 ARG 32 5.692 -3.296 -13.537 187 H CYS 33 H CYS 33 4.078 0.896 -5.725 188 HA CYS 33 HA CYS 33 2.285 -1.334 -5.431 189 HB2 CYS 33 2HB CYS 33 3.579 -0.596 -3.465 190 HB3 CYS 33 1HB CYS 33 2.851 1.003 -3.588 191 HA PRO 34 HA PRO 34 -0.859 1.041 -7.512 192 HB2 PRO 34 2HB PRO 34 -2.989 -0.460 -6.549 193 HB3 PRO 34 1HB PRO 34 -2.035 -0.888 -7.979 194 HG2 PRO 34 2HG PRO 34 -1.849 -1.873 -5.170 195 HG3 PRO 34 1HG PRO 34 -1.684 -2.781 -6.682 196 HD2 PRO 34 2HD PRO 34 0.436 -2.083 -5.224 197 HD3 PRO 34 1HD PRO 34 0.512 -2.065 -7.001 198 H CYS 35 H CYS 35 -0.993 0.204 -4.162 199 HA CYS 35 HA CYS 35 -3.149 1.767 -3.420 200 HB2 CYS 35 2HB CYS 35 -0.873 0.655 -1.859 201 HB3 CYS 35 1HB CYS 35 -2.088 1.660 -1.093 202 H TYR 36 H TYR 36 0.264 2.539 -3.200 203 HA TYR 36 HA TYR 36 -0.052 5.033 -1.955 204 HB2 TYR 36 2HB TYR 36 2.093 3.780 -2.127 205 HB3 TYR 36 1HB TYR 36 2.175 4.213 -3.830 206 HD1 TYR 36 2HD TYR 36 2.043 5.657 -0.426 207 HD2 TYR 36 1HD TYR 36 3.168 6.253 -4.479 208 HE1 TYR 36 2HE TYR 36 3.177 7.740 0.205 209 HE2 TYR 36 1HE TYR 36 4.309 8.340 -3.862 210 HH TYR 36 HH TYR 36 4.225 9.988 -2.081 211 H LYS 37 H LYS 37 0.226 4.206 -5.410 212 HA LYS 37 HA LYS 37 0.104 6.871 -6.237 213 HB2 LYS 37 2HB LYS 37 0.308 4.203 -7.367 214 HB3 LYS 37 1HB LYS 37 -0.285 5.418 -8.462 215 HG2 LYS 37 2HG LYS 37 2.306 5.459 -6.884 216 HG3 LYS 37 1HG LYS 37 2.171 5.082 -8.605 217 HD2 LYS 37 2HD LYS 37 1.510 7.754 -7.316 218 HD3 LYS 37 1HD LYS 37 2.981 7.374 -8.196 219 HE2 LYS 37 2HE LYS 37 1.670 6.950 -10.220 220 HE3 LYS 37 1HE LYS 37 0.188 7.325 -9.341 221 HZ1 LYS 37 3HZ LYS 37 2.421 9.232 -9.830 222 HZ2 LYS 37 1HZ LYS 37 0.999 9.574 -9.010 223 HZ3 LYS 37 2HZ LYS 37 0.937 9.230 -10.644 224 H SER 38 H SER 38 -2.346 4.446 -5.642 225 HA SER 38 HA SER 38 -4.289 6.091 -7.098 226 HB2 SER 38 2HB SER 38 -4.764 3.359 -5.910 227 HB3 SER 38 1HB SER 38 -5.702 4.177 -7.163 228 HG SER 38 HG SER 38 -3.167 3.054 -7.248 229 H TYR 39 H TYR 39 -3.023 5.967 -4.142 230 HA TYR 39 HA TYR 39 -3.516 6.806 -2.116 231 HB2 TYR 39 2HB TYR 39 -6.063 7.878 -3.353 232 HB3 TYR 39 1HB TYR 39 -5.240 8.509 -1.924 233 HD1 TYR 39 2HD TYR 39 -2.634 9.113 -2.458 234 HD2 TYR 39 1HD TYR 39 -5.799 9.068 -5.293 235 HE1 TYR 39 2HE TYR 39 -1.330 10.586 -3.932 236 HE2 TYR 39 1HE TYR 39 -4.503 10.524 -6.776 237 HH TYR 39 HH TYR 39 -2.711 12.154 -6.576 238 H ASN 40 H ASN 40 -4.102 4.222 -2.565 239 HA ASN 40 HA ASN 40 -6.715 3.597 -1.384 240 HB2 ASN 40 2HB ASN 40 -4.591 1.638 -2.294 241 HB3 ASN 40 1HB ASN 40 -6.251 1.313 -1.911 242 HD21 ASN 40 1HD2 ASN 40 -7.484 3.406 -3.321 243 HD22 ASN 40 2HD2 ASN 40 -7.308 3.105 -4.996 244 H SER 41 H SER 41 -6.830 2.350 0.511 245 HA SER 41 HA SER 41 -4.539 2.566 2.233 246 HB2 SER 41 2HB SER 41 -6.405 1.977 3.897 247 HB3 SER 41 1HB SER 41 -6.465 3.570 3.129 248 HG SER 41 HG SER 41 -8.299 1.698 3.128 249 H CYS 42 H CYS 42 -3.873 0.680 3.385 250 HA CYS 42 HA CYS 42 -4.192 -1.706 1.790 251 HB2 CYS 42 2HB CYS 42 -2.219 -0.949 3.913 252 HB3 CYS 42 1HB CYS 42 -2.334 -2.595 3.288 253 H ALA 43 H ALA 43 -6.310 -0.860 3.611 254 HA ALA 43 HA ALA 43 -6.414 -2.958 5.589 255 HB1 ALA 43 1HB ALA 43 -8.678 -2.123 6.043 256 HB2 ALA 43 2HB ALA 43 -8.548 -1.028 4.669 257 HB3 ALA 43 3HB ALA 43 -7.496 -0.818 6.072 258 H GLY 44 H GLY 44 -6.617 -4.919 4.825 259 HA2 GLY 44 2HA GLY 44 -8.084 -6.594 3.931 260 HA3 GLY 44 1HA GLY 44 -8.623 -5.411 2.739 261 H CYS 45 H CYS 45 -5.482 -4.814 2.916 262 HA CYS 45 HA CYS 45 -4.888 -6.310 0.515 263 HB2 CYS 45 2HB CYS 45 -3.148 -4.469 2.175 264 HB3 CYS 45 1HB CYS 45 -2.633 -5.229 0.680 265 H HIS 46 H HIS 46 -3.010 -7.707 0.339 266 HA HIS 46 HA HIS 46 -2.649 -9.204 2.825 267 HB2 HIS 46 2HB HIS 46 -2.751 -10.129 -0.020 268 HB3 HIS 46 1HB HIS 46 -1.867 -11.075 1.173 269 HD1 HIS 46 1HD HIS 46 -3.219 -12.790 2.300 270 HD2 HIS 46 2HD HIS 46 -5.566 -9.629 0.987 271 HE1 HIS 46 1HE HIS 46 -5.564 -13.405 2.889 272 HE2 HIS 46 2HE HIS 46 -6.975 -11.586 1.946 273 H CYS 47 H CYS 47 -1.237 -6.890 1.742 274 HA CYS 47 HA CYS 47 1.397 -7.781 1.236 275 HB2 CYS 47 2HB CYS 47 1.982 -5.375 1.737 276 HB3 CYS 47 1HB CYS 47 0.943 -5.660 0.356 277 H VAL 48 H VAL 48 2.966 -8.104 2.520 278 HA VAL 48 HA VAL 48 2.399 -8.160 5.404 279 HB VAL 48 HB VAL 48 4.550 -9.692 3.902 280 HG11 VAL 48 1HG1 VAL 48 5.121 -9.307 6.236 281 HG12 VAL 48 2HG1 VAL 48 4.765 -11.011 5.957 282 HG13 VAL 48 3HG1 VAL 48 3.571 -9.979 6.742 283 HG21 VAL 48 3HG2 VAL 48 2.335 -10.471 3.237 284 HG22 VAL 48 1HG2 VAL 48 1.885 -10.677 4.929 285 HG23 VAL 48 2HG2 VAL 48 3.148 -11.684 4.225 286 H GLY 49 H GLY 49 3.290 -6.633 6.540 287 HA2 GLY 49 2HA GLY 49 4.786 -5.086 7.316 288 HA3 GLY 49 1HA GLY 49 6.022 -5.919 6.378 289 H CYS 50 H CYS 50 3.078 -4.138 5.521 290 HA CYS 50 HA CYS 50 4.552 -2.918 3.367 291 HB2 CYS 50 2HB CYS 50 2.542 -2.108 2.546 292 HB3 CYS 50 1HB CYS 50 2.121 -3.695 3.178 293 H LYS 51 H LYS 51 5.347 -0.932 3.389 294 HA LYS 51 HA LYS 51 4.702 0.747 5.712 295 HB2 LYS 51 2HB LYS 51 6.826 1.079 3.571 296 HB3 LYS 51 1HB LYS 51 6.574 2.171 4.918 297 HG2 LYS 51 2HG LYS 51 7.371 -0.721 5.175 298 HG3 LYS 51 1HG LYS 51 8.491 0.634 5.223 299 HD2 LYS 51 2HD LYS 51 7.187 1.522 7.171 300 HD3 LYS 51 1HD LYS 51 6.256 0.025 7.160 301 HE2 LYS 51 2HE LYS 51 8.016 -0.139 8.808 302 HE3 LYS 51 1HE LYS 51 8.358 -1.245 7.478 303 HZ1 LYS 51 3HZ LYS 51 9.626 1.404 7.961 304 HZ2 LYS 51 1HZ LYS 51 9.923 0.463 6.598 305 HZ3 LYS 51 2HZ LYS 51 10.350 -0.104 8.113 306 H ASN 52 H ASN 52 2.659 1.430 5.071 307 HA ASN 52 HA ASN 52 2.595 3.022 2.616 308 HB2 ASN 52 2HB ASN 52 0.953 1.083 2.834 309 HB3 ASN 52 1HB ASN 52 0.198 1.971 4.146 310 HD21 ASN 52 1HD2 ASN 52 -1.027 1.188 1.718 311 HD22 ASN 52 2HD2 ASN 52 -1.527 2.623 0.905 312 HA PRO 53 HA PRO 53 2.518 6.472 5.573 313 HB2 PRO 53 2HB PRO 53 1.854 7.871 3.025 314 HB3 PRO 53 1HB PRO 53 3.056 8.296 4.252 315 HG2 PRO 53 2HG PRO 53 3.869 7.246 1.982 316 HG3 PRO 53 1HG PRO 53 4.569 6.689 3.509 317 HD2 PRO 53 2HD PRO 53 2.493 5.359 1.806 318 HD3 PRO 53 1HD PRO 53 3.899 4.652 2.634 319 H HIS 54 H HIS 54 0.127 5.536 3.229 320 HA HIS 54 HA HIS 54 -1.947 7.285 4.248 321 HB2 HIS 54 2HB HIS 54 -2.072 5.005 2.255 322 HB3 HIS 54 1HB HIS 54 -3.438 6.014 2.675 323 HD1 HIS 54 1HD HIS 54 -3.585 8.304 1.526 324 HD2 HIS 54 2HD HIS 54 -0.093 6.236 0.655 325 HE1 HIS 54 1HE HIS 54 -2.551 9.513 -0.409 326 HE2 HIS 54 2HE HIS 54 -0.322 8.441 -0.688 327 H LYS 55 H LYS 55 -3.717 6.599 5.435 328 HA LYS 55 HA LYS 55 -3.536 3.913 6.577 329 HB2 LYS 55 2HB LYS 55 -2.791 5.637 8.208 330 HB3 LYS 55 1HB LYS 55 -4.329 6.466 8.005 331 HG2 LYS 55 2HG LYS 55 -5.499 4.490 8.885 332 HG3 LYS 55 1HG LYS 55 -3.955 3.683 9.114 333 HD2 LYS 55 2HD LYS 55 -4.723 4.600 11.216 334 HD3 LYS 55 1HD LYS 55 -3.291 5.471 10.673 335 HE2 LYS 55 2HE LYS 55 -4.638 7.317 9.910 336 HE3 LYS 55 1HE LYS 55 -6.122 6.433 10.249 337 HZ1 LYS 55 3HZ LYS 55 -5.613 6.507 12.580 338 HZ2 LYS 55 1HZ LYS 55 -5.578 8.070 11.959 339 HZ3 LYS 55 2HZ LYS 55 -4.136 7.259 12.302 340 H GLU 56 H GLU 56 -5.521 2.942 6.949 341 HA GLU 56 HA GLU 56 -7.667 3.621 5.264 342 HB2 GLU 56 2HB GLU 56 -7.201 1.344 6.020 343 HB3 GLU 56 1HB GLU 56 -7.557 1.810 7.677 344 HG2 GLU 56 2HG GLU 56 -9.396 0.572 6.650 345 HG3 GLU 56 1HG GLU 56 -9.872 2.210 7.089 346 H ASP 57 H ASP 57 -9.495 4.792 5.643 347 HA ASP 57 HA ASP 57 -10.111 5.694 8.313 348 HB2 ASP 57 2HB ASP 57 -8.511 7.398 7.250 349 HB3 ASP 57 1HB ASP 57 -9.794 7.723 6.088 350 H TYR 58 H TYR 58 -12.251 6.211 8.521 351 HA TYR 58 HA TYR 58 -13.911 4.628 6.961 352 HB2 TYR 58 2HB TYR 58 -15.751 5.346 8.347 353 HB3 TYR 58 1HB TYR 58 -14.323 5.121 9.341 354 HD1 TYR 58 1HD TYR 58 -12.952 7.379 9.831 355 HD2 TYR 58 2HD TYR 58 -17.032 7.221 8.624 356 HE1 TYR 58 1HE TYR 58 -13.314 9.626 10.757 357 HE2 TYR 58 2HE TYR 58 -17.395 9.457 9.540 358 HH TYR 58 HH TYR 58 -14.865 11.507 10.426 359 H VAL 59 H VAL 59 -14.447 4.923 4.952 360 HA VAL 59 HA VAL 59 -15.668 7.471 4.192 361 HB VAL 59 HB VAL 59 -14.288 5.467 2.341 362 HG11 VAL 59 1HG1 VAL 59 -16.199 6.556 1.281 363 HG12 VAL 59 2HG1 VAL 59 -14.681 7.097 0.568 364 HG13 VAL 59 3HG1 VAL 59 -15.540 8.137 1.704 365 HG21 VAL 59 3HG2 VAL 59 -13.449 8.267 3.074 366 HG22 VAL 59 1HG2 VAL 59 -12.630 7.206 1.932 367 HG23 VAL 59 2HG2 VAL 59 -12.677 6.791 3.650 Start of MODEL 12 1 H1 SER 8 1HT SER 8 -21.488 -2.176 -5.888 2 H2 SER 8 2HT SER 8 -20.048 -3.075 -5.767 3 H3 SER 8 3HT SER 8 -20.398 -2.249 -7.185 4 HA SER 8 HA SER 8 -20.150 -0.178 -6.110 5 HB2 SER 8 2HB SER 8 -20.968 -0.994 -3.859 6 HB3 SER 8 1HB SER 8 -19.447 -1.854 -3.658 7 HG SER 8 HG SER 8 -18.690 -0.108 -2.888 8 HA PRO 9 HA PRO 9 -16.166 -0.841 -7.846 9 HB2 PRO 9 2HB PRO 9 -14.973 1.528 -7.094 10 HB3 PRO 9 1HB PRO 9 -16.039 1.350 -8.488 11 HG2 PRO 9 2HG PRO 9 -16.654 2.358 -5.744 12 HG3 PRO 9 1HG PRO 9 -17.222 2.963 -7.311 13 HD2 PRO 9 2HD PRO 9 -18.778 1.457 -5.739 14 HD3 PRO 9 1HD PRO 9 -18.830 1.307 -7.508 15 HA PRO 10 HA PRO 10 -14.030 -2.372 -4.163 16 HB2 PRO 10 2HB PRO 10 -12.292 -3.565 -6.227 17 HB3 PRO 10 1HB PRO 10 -13.164 -4.353 -4.912 18 HG2 PRO 10 2HG PRO 10 -13.976 -4.641 -7.426 19 HG3 PRO 10 1HG PRO 10 -15.152 -4.447 -6.113 20 HD2 PRO 10 2HD PRO 10 -14.166 -2.400 -8.072 21 HD3 PRO 10 1HD PRO 10 -15.822 -2.749 -7.520 22 H LYS 11 H LYS 11 -12.304 -1.638 -3.135 23 HA LYS 11 HA LYS 11 -10.738 0.480 -4.236 24 HB2 LYS 11 2HB LYS 11 -9.650 0.498 -2.015 25 HB3 LYS 11 1HB LYS 11 -11.402 0.512 -1.868 26 HG2 LYS 11 2HG LYS 11 -11.390 -1.876 -1.358 27 HG3 LYS 11 1HG LYS 11 -9.650 -1.919 -1.573 28 HD2 LYS 11 2HD LYS 11 -11.035 -0.242 0.523 29 HD3 LYS 11 1HD LYS 11 -10.454 -1.876 0.819 30 HE2 LYS 11 2HE LYS 11 -8.720 -0.567 1.629 31 HE3 LYS 11 1HE LYS 11 -8.176 -0.946 0.009 32 HZ1 LYS 11 3HZ LYS 11 -9.435 1.599 0.878 33 HZ2 LYS 11 1HZ LYS 11 -8.886 1.321 -0.703 34 HZ3 LYS 11 2HZ LYS 11 -7.831 1.352 0.614 35 HA PRO 12 HA PRO 12 -7.236 -1.890 -5.775 36 HB2 PRO 12 2HB PRO 12 -5.572 0.122 -4.458 37 HB3 PRO 12 1HB PRO 12 -5.568 -0.335 -6.144 38 HG2 PRO 12 2HG PRO 12 -6.633 2.006 -5.354 39 HG3 PRO 12 1HG PRO 12 -7.278 1.082 -6.720 40 HD2 PRO 12 2HD PRO 12 -8.370 1.454 -3.997 41 HD3 PRO 12 1HD PRO 12 -9.213 1.143 -5.530 42 H LYS 13 H LYS 13 -5.981 -3.394 -4.931 43 HA LYS 13 HA LYS 13 -5.273 -3.389 -2.091 44 HB2 LYS 13 2HB LYS 13 -6.641 -5.709 -3.508 45 HB3 LYS 13 1HB LYS 13 -6.007 -5.744 -1.864 46 HG2 LYS 13 2HG LYS 13 -7.603 -4.058 -1.178 47 HG3 LYS 13 1HG LYS 13 -8.201 -3.930 -2.828 48 HD2 LYS 13 2HD LYS 13 -8.980 -6.251 -2.716 49 HD3 LYS 13 1HD LYS 13 -8.374 -6.369 -1.060 50 HE2 LYS 13 2HE LYS 13 -9.823 -4.509 -0.404 51 HE3 LYS 13 1HE LYS 13 -10.461 -4.431 -2.038 52 HZ1 LYS 13 3HZ LYS 13 -11.879 -5.609 -0.464 53 HZ2 LYS 13 1HZ LYS 13 -10.714 -6.787 -0.250 54 HZ3 LYS 13 2HZ LYS 13 -11.465 -6.590 -1.762 55 H CYS 14 H CYS 14 -3.470 -4.850 -1.642 56 HA CYS 14 HA CYS 14 -2.011 -5.575 -4.050 57 HB2 CYS 14 2HB CYS 14 0.021 -4.488 -3.219 58 HB3 CYS 14 1HB CYS 14 -1.282 -3.339 -3.512 59 H ARG 15 H ARG 15 -0.257 -6.973 -3.685 60 HA ARG 15 HA ARG 15 -0.410 -8.556 -1.201 61 HB2 ARG 15 2HB ARG 15 0.212 -9.444 -4.033 62 HB3 ARG 15 1HB ARG 15 0.170 -10.491 -2.624 63 HG2 ARG 15 2HG ARG 15 -2.203 -10.101 -2.353 64 HG3 ARG 15 1HG ARG 15 -2.183 -8.941 -3.674 65 HD2 ARG 15 2HD ARG 15 -1.554 -10.699 -5.226 66 HD3 ARG 15 1HD ARG 15 -1.532 -11.872 -3.904 67 HE ARG 15 HE ARG 15 -4.013 -10.672 -3.859 68 HH11 ARG 15 1HH1 ARG 15 -2.194 -12.618 -6.183 69 HH12 ARG 15 2HH1 ARG 15 -3.563 -13.404 -6.813 70 HH21 ARG 15 1HH2 ARG 15 -5.907 -11.743 -4.730 71 HH22 ARG 15 2HH2 ARG 15 -5.731 -12.870 -5.985 72 H CYS 16 H CYS 16 1.224 -6.310 -1.517 73 HA CYS 16 HA CYS 16 3.867 -6.836 -2.447 74 HB2 CYS 16 2HB CYS 16 2.999 -4.818 -0.359 75 HB3 CYS 16 1HB CYS 16 4.499 -4.807 -1.278 76 H GLY 17 H GLY 17 5.796 -7.050 -1.092 77 HA2 GLY 17 2HA GLY 17 6.743 -7.201 1.141 78 HA3 GLY 17 1HA GLY 17 5.259 -7.983 1.656 79 H ILE 18 H ILE 18 5.378 -9.478 -0.958 80 HA ILE 18 HA ILE 18 6.651 -11.809 0.082 81 HB ILE 18 HB ILE 18 5.738 -11.338 -2.788 82 HG12 ILE 18 2HG1 ILE 18 4.167 -12.343 -0.381 83 HG13 ILE 18 1HG1 ILE 18 3.927 -10.840 -1.239 84 HG21 ILE 18 1HG2 ILE 18 6.110 -13.899 -1.218 85 HG22 ILE 18 2HG2 ILE 18 7.154 -13.321 -2.517 86 HG23 ILE 18 3HG2 ILE 18 5.487 -13.782 -2.865 87 HD11 ILE 18 3HD1 ILE 18 3.236 -12.058 -3.240 88 HD12 ILE 18 1HD1 ILE 18 2.230 -12.460 -1.847 89 HD13 ILE 18 2HD1 ILE 18 3.474 -13.585 -2.394 90 H SER 19 H SER 19 7.575 -9.246 -2.051 91 HA SER 19 HA SER 19 10.270 -10.370 -2.185 92 HB2 SER 19 2HB SER 19 9.019 -8.284 -3.982 93 HB3 SER 19 1HB SER 19 10.580 -9.087 -4.185 94 HG SER 19 HG SER 19 9.018 -11.035 -4.022 95 H GLY 20 H GLY 20 10.905 -9.530 -0.196 96 HA2 GLY 20 2HA GLY 20 10.792 -6.602 0.008 97 HA3 GLY 20 1HA GLY 20 10.463 -7.649 1.377 98 H SER 21 H SER 21 12.968 -8.086 -1.054 99 HA SER 21 HA SER 21 14.986 -8.595 0.827 100 HB2 SER 21 2HB SER 21 15.280 -7.703 -2.049 101 HB3 SER 21 1HB SER 21 16.417 -8.678 -1.113 102 HG SER 21 HG SER 21 15.073 -10.368 -1.187 103 H SER 22 H SER 22 14.743 -5.895 -1.495 104 HA SER 22 HA SER 22 16.104 -4.175 0.447 105 HB2 SER 22 2HB SER 22 17.091 -4.412 -1.863 106 HB3 SER 22 1HB SER 22 15.607 -3.736 -2.521 107 HG SER 22 HG SER 22 17.193 -2.401 -0.603 108 H ASN 23 H ASN 23 13.173 -4.947 -0.960 109 HA ASN 23 HA ASN 23 11.901 -2.367 -0.523 110 HB2 ASN 23 2HB ASN 23 11.483 -3.522 -2.654 111 HB3 ASN 23 1HB ASN 23 10.992 -4.967 -1.797 112 HD21 ASN 23 1HD2 ASN 23 8.935 -5.220 -1.304 113 HD22 ASN 23 2HD2 ASN 23 7.688 -4.064 -1.633 114 H THR 24 H THR 24 12.503 -2.821 1.807 115 HA THR 24 HA THR 24 10.660 -4.678 3.166 116 HB THR 24 HB THR 24 12.977 -3.263 4.469 117 HG1 THR 24 1HG THR 24 13.096 -5.693 2.934 118 HG21 THR 24 3HG2 THR 24 11.704 -5.983 4.890 119 HG22 THR 24 1HG2 THR 24 11.425 -4.557 5.892 120 HG23 THR 24 2HG2 THR 24 13.020 -5.307 5.844 121 H LEU 25 H LEU 25 11.712 -1.333 3.063 122 HA LEU 25 HA LEU 25 9.588 -0.548 4.938 123 HB2 LEU 25 2HB LEU 25 12.045 0.944 4.009 124 HB3 LEU 25 1HB LEU 25 10.748 1.710 4.882 125 HG LEU 25 HG LEU 25 11.235 0.141 6.792 126 HD11 LEU 25 1HD1 LEU 25 12.434 -1.595 5.601 127 HD12 LEU 25 2HD1 LEU 25 13.421 -0.916 6.894 128 HD13 LEU 25 3HD1 LEU 25 13.733 -0.467 5.221 129 HD21 LEU 25 3HD2 LEU 25 13.186 1.424 7.531 130 HD22 LEU 25 1HD2 LEU 25 11.938 2.437 6.804 131 HD23 LEU 25 2HD2 LEU 25 13.387 2.029 5.889 132 H THR 26 H THR 26 10.940 -0.082 1.747 133 HA THR 26 HA THR 26 9.164 1.987 0.974 134 HB THR 26 HB THR 26 10.384 1.366 -1.235 135 HG1 THR 26 1HG THR 26 12.017 -0.019 -1.016 136 HG21 THR 26 3HG2 THR 26 12.377 2.614 -0.488 137 HG22 THR 26 1HG2 THR 26 11.924 2.341 1.192 138 HG23 THR 26 2HG2 THR 26 10.914 3.351 0.161 139 H THR 27 H THR 27 8.451 -1.070 1.596 140 HA THR 27 HA THR 27 7.772 -2.538 -0.572 141 HB THR 27 HB THR 27 6.228 -2.379 2.000 142 HG1 THR 27 1HG THR 27 8.624 -3.847 1.584 143 HG21 THR 27 3HG2 THR 27 6.994 -4.687 0.197 144 HG22 THR 27 1HG2 THR 27 5.382 -3.988 0.361 145 HG23 THR 27 2HG2 THR 27 6.121 -4.828 1.727 146 H CYS 28 H CYS 28 5.298 -0.831 1.348 147 HA CYS 28 HA CYS 28 3.671 -0.660 -1.017 148 HB2 CYS 28 2HB CYS 28 3.043 -0.334 1.883 149 HB3 CYS 28 1HB CYS 28 1.899 0.198 0.653 150 H ARG 29 H ARG 29 5.961 1.121 0.178 151 HA ARG 29 HA ARG 29 4.640 3.724 0.012 152 HB2 ARG 29 2HB ARG 29 6.087 2.992 1.958 153 HB3 ARG 29 1HB ARG 29 7.454 3.111 0.867 154 HG2 ARG 29 2HG ARG 29 7.009 5.472 0.542 155 HG3 ARG 29 1HG ARG 29 5.616 5.367 1.620 156 HD2 ARG 29 2HD ARG 29 7.138 4.598 3.413 157 HD3 ARG 29 1HD ARG 29 8.497 4.865 2.322 158 HE ARG 29 HE ARG 29 6.886 7.157 2.494 159 HH11 ARG 29 1HH1 ARG 29 9.387 5.363 4.232 160 HH12 ARG 29 2HH1 ARG 29 9.883 6.677 5.185 161 HH21 ARG 29 1HH2 ARG 29 7.543 8.971 3.823 162 HH22 ARG 29 2HH2 ARG 29 8.811 8.782 4.933 163 H ASN 30 H ASN 30 5.446 2.012 -2.363 164 HA ASN 30 HA ASN 30 6.916 4.154 -3.682 165 HB2 ASN 30 2HB ASN 30 8.300 2.678 -4.958 166 HB3 ASN 30 1HB ASN 30 8.428 2.136 -3.292 167 HD21 ASN 30 1HD2 ASN 30 7.573 0.120 -2.742 168 HD22 ASN 30 2HD2 ASN 30 7.063 -1.008 -3.931 169 H SER 31 H SER 31 6.637 3.993 -6.108 170 HA SER 31 HA SER 31 3.858 4.262 -6.502 171 HB2 SER 31 2HB SER 31 6.097 4.429 -8.503 172 HB3 SER 31 1HB SER 31 4.449 5.024 -8.730 173 HG SER 31 HG SER 31 6.438 5.936 -6.942 174 H ARG 32 H ARG 32 5.721 1.437 -6.773 175 HA ARG 32 HA ARG 32 4.110 0.350 -8.911 176 HB2 ARG 32 2HB ARG 32 6.328 -0.837 -7.250 177 HB3 ARG 32 1HB ARG 32 5.411 -1.767 -8.427 178 HG2 ARG 32 2HG ARG 32 6.890 0.747 -9.165 179 HG3 ARG 32 1HG ARG 32 7.658 -0.839 -9.175 180 HD2 ARG 32 2HD ARG 32 6.902 -0.265 -11.409 181 HD3 ARG 32 1HD ARG 32 5.985 -1.631 -10.794 182 HE ARG 32 HE ARG 32 4.887 1.095 -10.681 183 HH11 ARG 32 1HH1 ARG 32 4.675 -2.222 -11.935 184 HH12 ARG 32 2HH1 ARG 32 3.120 -2.027 -12.592 185 HH21 ARG 32 1HH2 ARG 32 2.724 1.334 -11.561 186 HH22 ARG 32 2HH2 ARG 32 1.950 0.047 -12.342 187 H CYS 33 H CYS 33 3.588 0.941 -5.773 188 HA CYS 33 HA CYS 33 1.983 -1.426 -5.317 189 HB2 CYS 33 2HB CYS 33 3.302 -0.556 -3.425 190 HB3 CYS 33 1HB CYS 33 2.509 1.003 -3.586 191 HA PRO 34 HA PRO 34 -1.296 0.768 -7.461 192 HB2 PRO 34 2HB PRO 34 -3.357 -0.889 -6.576 193 HB3 PRO 34 1HB PRO 34 -2.368 -1.179 -8.008 194 HG2 PRO 34 2HG PRO 34 -2.124 -2.322 -5.269 195 HG3 PRO 34 1HG PRO 34 -1.857 -3.100 -6.840 196 HD2 PRO 34 2HD PRO 34 0.184 -2.334 -5.286 197 HD3 PRO 34 1HD PRO 34 0.286 -2.209 -7.055 198 H CYS 35 H CYS 35 -1.545 -0.140 -4.114 199 HA CYS 35 HA CYS 35 -3.713 1.507 -3.379 200 HB2 CYS 35 2HB CYS 35 -1.389 0.449 -1.812 201 HB3 CYS 35 1HB CYS 35 -2.724 1.315 -1.076 202 H TYR 36 H TYR 36 -0.268 1.965 -3.137 203 HA TYR 36 HA TYR 36 -0.243 4.513 -2.001 204 HB2 TYR 36 2HB TYR 36 1.681 2.927 -2.135 205 HB3 TYR 36 1HB TYR 36 1.824 3.314 -3.843 206 HD1 TYR 36 1HD TYR 36 2.105 4.671 -0.436 207 HD2 TYR 36 2HD TYR 36 2.972 5.294 -4.547 208 HE1 TYR 36 1HE TYR 36 3.598 6.522 0.163 209 HE2 TYR 36 2HE TYR 36 4.473 7.154 -3.947 210 HH TYR 36 HH TYR 36 4.691 8.737 -2.066 211 H LYS 37 H LYS 37 -0.146 3.518 -5.440 212 HA LYS 37 HA LYS 37 0.109 6.198 -6.263 213 HB2 LYS 37 2HB LYS 37 0.345 3.616 -7.437 214 HB3 LYS 37 1HB LYS 37 -0.622 4.641 -8.472 215 HG2 LYS 37 2HG LYS 37 2.101 5.444 -7.411 216 HG3 LYS 37 1HG LYS 37 1.900 4.571 -8.920 217 HD2 LYS 37 2HD LYS 37 2.176 6.904 -9.440 218 HD3 LYS 37 1HD LYS 37 0.499 6.491 -9.752 219 HE2 LYS 37 2HE LYS 37 -0.149 7.516 -7.621 220 HE3 LYS 37 1HE LYS 37 1.551 7.880 -7.289 221 HZ1 LYS 37 3HZ LYS 37 1.520 9.347 -9.223 222 HZ2 LYS 37 1HZ LYS 37 0.349 9.778 -8.098 223 HZ3 LYS 37 2HZ LYS 37 -0.103 8.979 -9.497 224 H SER 38 H SER 38 -2.614 3.964 -5.996 225 HA SER 38 HA SER 38 -4.331 5.871 -7.328 226 HB2 SER 38 2HB SER 38 -4.925 3.172 -6.104 227 HB3 SER 38 1HB SER 38 -6.086 4.144 -7.007 228 HG SER 38 HG SER 38 -5.108 3.682 -8.819 229 H TYR 39 H TYR 39 -3.015 6.050 -4.520 230 HA TYR 39 HA TYR 39 -3.413 7.072 -2.570 231 HB2 TYR 39 2HB TYR 39 -5.661 8.278 -4.184 232 HB3 TYR 39 1HB TYR 39 -5.350 8.755 -2.522 233 HD1 TYR 39 1HD TYR 39 -3.608 8.482 -5.841 234 HD2 TYR 39 2HD TYR 39 -3.898 10.518 -2.116 235 HE1 TYR 39 1HE TYR 39 -1.948 10.131 -6.615 236 HE2 TYR 39 2HE TYR 39 -2.244 12.157 -2.875 237 HH TYR 39 HH TYR 39 -1.290 12.402 -6.116 238 H ASN 40 H ASN 40 -4.013 4.589 -2.250 239 HA ASN 40 HA ASN 40 -6.381 4.683 -0.534 240 HB2 ASN 40 2HB ASN 40 -5.634 2.480 -2.426 241 HB3 ASN 40 1HB ASN 40 -6.419 2.082 -0.910 242 HD21 ASN 40 1HD2 ASN 40 -6.970 4.757 -3.167 243 HD22 ASN 40 2HD2 ASN 40 -8.633 4.381 -3.431 244 H SER 41 H SER 41 -6.342 3.336 1.257 245 HA SER 41 HA SER 41 -3.696 2.843 2.307 246 HB2 SER 41 2HB SER 41 -5.368 2.335 4.357 247 HB3 SER 41 1HB SER 41 -4.807 3.962 3.949 248 HG SER 41 HG SER 41 -6.653 4.328 2.824 249 H CYS 42 H CYS 42 -3.420 0.798 3.597 250 HA CYS 42 HA CYS 42 -4.253 -1.277 1.806 251 HB2 CYS 42 2HB CYS 42 -1.972 -1.190 3.759 252 HB3 CYS 42 1HB CYS 42 -2.437 -2.642 2.878 253 H ALA 43 H ALA 43 -6.250 -1.117 2.696 254 HA ALA 43 HA ALA 43 -6.596 -3.015 4.922 255 HB1 ALA 43 1HB ALA 43 -7.777 -0.876 5.270 256 HB2 ALA 43 2HB ALA 43 -8.923 -2.196 5.058 257 HB3 ALA 43 3HB ALA 43 -8.605 -1.086 3.729 258 H GLY 44 H GLY 44 -7.176 -5.030 4.338 259 HA2 GLY 44 2HA GLY 44 -8.347 -6.650 3.117 260 HA3 GLY 44 1HA GLY 44 -8.728 -5.431 1.902 261 H CYS 45 H CYS 45 -5.537 -5.485 2.919 262 HA CYS 45 HA CYS 45 -4.740 -6.491 0.300 263 HB2 CYS 45 2HB CYS 45 -3.181 -4.960 2.376 264 HB3 CYS 45 1HB CYS 45 -2.560 -5.463 0.810 265 H HIS 46 H HIS 46 -2.646 -7.718 0.289 266 HA HIS 46 HA HIS 46 -2.414 -9.522 2.605 267 HB2 HIS 46 2HB HIS 46 -2.074 -10.040 -0.335 268 HB3 HIS 46 1HB HIS 46 -1.200 -11.018 0.830 269 HD1 HIS 46 1HD HIS 46 -2.399 -12.972 1.752 270 HD2 HIS 46 2HD HIS 46 -5.000 -10.261 -0.002 271 HE1 HIS 46 1HE HIS 46 -4.639 -14.084 1.767 272 HE2 HIS 46 2HE HIS 46 -6.143 -12.501 0.533 273 H CYS 47 H CYS 47 -1.205 -6.897 1.952 274 HA CYS 47 HA CYS 47 1.489 -7.405 1.270 275 HB2 CYS 47 2HB CYS 47 1.901 -5.036 1.888 276 HB3 CYS 47 1HB CYS 47 0.702 -5.321 0.635 277 H VAL 48 H VAL 48 3.054 -7.889 2.309 278 HA VAL 48 HA VAL 48 2.965 -8.127 5.233 279 HB VAL 48 HB VAL 48 4.961 -9.332 3.278 280 HG11 VAL 48 1HG1 VAL 48 4.511 -9.909 6.198 281 HG12 VAL 48 2HG1 VAL 48 5.892 -9.062 5.502 282 HG13 VAL 48 3HG1 VAL 48 5.631 -10.769 5.139 283 HG21 VAL 48 3HG2 VAL 48 2.732 -10.269 2.920 284 HG22 VAL 48 1HG2 VAL 48 2.602 -10.648 4.636 285 HG23 VAL 48 2HG2 VAL 48 3.806 -11.467 3.644 286 H GLY 49 H GLY 49 4.173 -6.772 6.443 287 HA2 GLY 49 2HA GLY 49 5.788 -5.250 7.045 288 HA3 GLY 49 1HA GLY 49 6.681 -5.716 5.603 289 H CYS 50 H CYS 50 3.464 -4.384 5.895 290 HA CYS 50 HA CYS 50 3.863 -2.616 3.711 291 HB2 CYS 50 2HB CYS 50 1.728 -3.569 3.896 292 HB3 CYS 50 1HB CYS 50 1.597 -3.135 5.594 293 H LYS 51 H LYS 51 5.179 -0.868 4.085 294 HA LYS 51 HA LYS 51 4.224 0.896 6.233 295 HB2 LYS 51 2HB LYS 51 6.733 1.090 4.522 296 HB3 LYS 51 1HB LYS 51 6.211 2.347 5.616 297 HG2 LYS 51 2HG LYS 51 8.021 1.122 6.597 298 HG3 LYS 51 1HG LYS 51 6.554 0.784 7.505 299 HD2 LYS 51 2HD LYS 51 6.321 -1.341 6.417 300 HD3 LYS 51 1HD LYS 51 7.682 -1.001 5.356 301 HE2 LYS 51 2HE LYS 51 9.169 -0.949 7.260 302 HE3 LYS 51 1HE LYS 51 7.824 -1.225 8.363 303 HZ1 LYS 51 3HZ LYS 51 9.037 -3.232 7.904 304 HZ2 LYS 51 1HZ LYS 51 8.732 -3.076 6.239 305 HZ3 LYS 51 2HZ LYS 51 7.449 -3.339 7.340 306 H ASN 52 H ASN 52 2.382 1.490 5.238 307 HA ASN 52 HA ASN 52 2.757 2.993 2.783 308 HB2 ASN 52 2HB ASN 52 1.205 1.085 2.541 309 HB3 ASN 52 1HB ASN 52 0.223 1.727 3.845 310 HD21 ASN 52 1HD2 ASN 52 -1.513 1.756 2.458 311 HD22 ASN 52 2HD2 ASN 52 -1.742 2.958 1.236 312 HA PRO 53 HA PRO 53 1.991 6.352 5.635 313 HB2 PRO 53 2HB PRO 53 2.274 8.359 3.800 314 HB3 PRO 53 1HB PRO 53 3.642 7.567 4.590 315 HG2 PRO 53 2HG PRO 53 2.507 7.122 1.875 316 HG3 PRO 53 1HG PRO 53 4.203 7.141 2.396 317 HD2 PRO 53 2HD PRO 53 2.810 4.854 1.923 318 HD3 PRO 53 1HD PRO 53 4.132 4.942 3.102 319 H HIS 54 H HIS 54 0.306 5.296 2.953 320 HA HIS 54 HA HIS 54 -1.733 7.258 2.983 321 HB2 HIS 54 2HB HIS 54 -1.349 4.750 1.499 322 HB3 HIS 54 1HB HIS 54 -3.001 5.329 1.711 323 HD1 HIS 54 1HD HIS 54 -3.612 7.517 0.667 324 HD2 HIS 54 2HD HIS 54 0.217 6.213 -0.227 325 HE1 HIS 54 1HE HIS 54 -2.803 8.997 -1.230 326 HE2 HIS 54 2HE HIS 54 -0.403 8.309 -1.563 327 H LYS 55 H LYS 55 -2.688 7.515 4.650 328 HA LYS 55 HA LYS 55 -4.708 5.612 5.211 329 HB2 LYS 55 2HB LYS 55 -4.599 6.138 7.696 330 HB3 LYS 55 1HB LYS 55 -3.211 5.239 7.131 331 HG2 LYS 55 2HG LYS 55 -2.258 6.758 8.573 332 HG3 LYS 55 1HG LYS 55 -2.081 7.591 7.035 333 HD2 LYS 55 2HD LYS 55 -4.084 8.915 7.528 334 HD3 LYS 55 1HD LYS 55 -4.267 8.064 9.064 335 HE2 LYS 55 2HE LYS 55 -2.089 8.907 9.785 336 HE3 LYS 55 1HE LYS 55 -1.912 9.750 8.250 337 HZ1 LYS 55 3HZ LYS 55 -3.858 11.086 8.812 338 HZ2 LYS 55 1HZ LYS 55 -2.661 11.233 9.982 339 HZ3 LYS 55 2HZ LYS 55 -4.017 10.283 10.281 340 H GLU 56 H GLU 56 -6.409 6.585 4.577 341 HA GLU 56 HA GLU 56 -6.171 9.278 3.800 342 HB2 GLU 56 2HB GLU 56 -8.394 7.288 3.585 343 HB3 GLU 56 1HB GLU 56 -8.656 8.973 3.178 344 HG2 GLU 56 2HG GLU 56 -8.173 7.650 1.184 345 HG3 GLU 56 1HG GLU 56 -6.924 8.853 1.458 346 H ASP 57 H ASP 57 -7.154 11.048 4.437 347 HA ASP 57 HA ASP 57 -7.266 11.164 7.270 348 HB2 ASP 57 2HB ASP 57 -6.198 12.917 5.867 349 HB3 ASP 57 1HB ASP 57 -7.795 13.389 5.312 350 H TYR 58 H TYR 58 -9.550 11.035 4.842 351 HA TYR 58 HA TYR 58 -11.713 12.011 6.368 352 HB2 TYR 58 2HB TYR 58 -13.264 10.836 4.768 353 HB3 TYR 58 1HB TYR 58 -12.147 11.944 4.010 354 HD1 TYR 58 2HD TYR 58 -12.854 8.354 4.617 355 HD2 TYR 58 1HD TYR 58 -10.709 11.178 2.280 356 HE1 TYR 58 2HE TYR 58 -12.242 6.580 3.042 357 HE2 TYR 58 1HE TYR 58 -10.100 9.415 0.697 358 HH TYR 58 HH TYR 58 -11.617 6.426 0.710 359 H VAL 59 H VAL 59 -12.663 11.290 7.962 360 HA VAL 59 HA VAL 59 -12.306 8.521 8.705 361 HB VAL 59 HB VAL 59 -13.017 9.345 11.043 362 HG11 VAL 59 1HG1 VAL 59 -10.458 10.397 9.830 363 HG12 VAL 59 2HG1 VAL 59 -10.707 8.776 10.479 364 HG13 VAL 59 3HG1 VAL 59 -10.761 10.172 11.552 365 HG21 VAL 59 3HG2 VAL 59 -12.348 12.020 9.800 366 HG22 VAL 59 1HG2 VAL 59 -12.640 11.722 11.512 367 HG23 VAL 59 2HG2 VAL 59 -13.948 11.521 10.346 Start of MODEL 13 1 H1 SER 8 1HT SER 8 -17.487 7.242 -8.079 2 H2 SER 8 2HT SER 8 -19.067 6.783 -7.591 3 H3 SER 8 3HT SER 8 -18.108 5.721 -8.493 4 HA SER 8 HA SER 8 -17.530 6.678 -5.798 5 HB2 SER 8 2HB SER 8 -18.559 4.007 -6.754 6 HB3 SER 8 1HB SER 8 -18.323 4.518 -5.074 7 HG SER 8 HG SER 8 -20.535 4.691 -6.102 8 HA PRO 9 HA PRO 9 -13.606 4.908 -7.082 9 HB2 PRO 9 2HB PRO 9 -12.185 5.556 -4.854 10 HB3 PRO 9 1HB PRO 9 -12.613 6.720 -6.106 11 HG2 PRO 9 2HG PRO 9 -13.624 6.506 -3.380 12 HG3 PRO 9 1HG PRO 9 -13.812 7.830 -4.536 13 HD2 PRO 9 2HD PRO 9 -15.681 5.711 -3.836 14 HD3 PRO 9 1HD PRO 9 -15.955 7.183 -4.800 15 HA PRO 10 HA PRO 10 -13.748 0.958 -4.785 16 HB2 PRO 10 2HB PRO 10 -12.069 -0.060 -6.940 17 HB3 PRO 10 1HB PRO 10 -13.722 -0.527 -6.531 18 HG2 PRO 10 2HG PRO 10 -13.087 0.829 -8.800 19 HG3 PRO 10 1HG PRO 10 -14.647 0.997 -7.978 20 HD2 PRO 10 2HD PRO 10 -12.253 2.795 -7.896 21 HD3 PRO 10 1HD PRO 10 -13.986 3.201 -8.009 22 H LYS 11 H LYS 11 -12.037 -0.235 -3.706 23 HA LYS 11 HA LYS 11 -9.521 1.263 -3.700 24 HB2 LYS 11 2HB LYS 11 -10.673 -0.430 -1.493 25 HB3 LYS 11 1HB LYS 11 -9.159 0.460 -1.414 26 HG2 LYS 11 2HG LYS 11 -10.466 2.559 -1.781 27 HG3 LYS 11 1HG LYS 11 -11.935 1.600 -1.634 28 HD2 LYS 11 2HD LYS 11 -11.481 2.654 0.490 29 HD3 LYS 11 1HD LYS 11 -11.197 0.922 0.640 30 HE2 LYS 11 2HE LYS 11 -8.819 1.231 0.504 31 HE3 LYS 11 1HE LYS 11 -9.018 2.945 0.130 32 HZ1 LYS 11 3HZ LYS 11 -9.916 3.286 2.321 33 HZ2 LYS 11 1HZ LYS 11 -8.418 2.556 2.463 34 HZ3 LYS 11 2HZ LYS 11 -9.824 1.657 2.693 35 HA PRO 12 HA PRO 12 -7.906 -2.515 -5.411 36 HB2 PRO 12 2HB PRO 12 -5.413 -1.534 -5.908 37 HB3 PRO 12 1HB PRO 12 -6.786 -1.320 -6.992 38 HG2 PRO 12 2HG PRO 12 -5.531 0.601 -5.112 39 HG3 PRO 12 1HG PRO 12 -6.371 0.913 -6.640 40 HD2 PRO 12 2HD PRO 12 -7.429 1.282 -4.090 41 HD3 PRO 12 1HD PRO 12 -8.384 1.161 -5.577 42 H LYS 13 H LYS 13 -6.177 -3.946 -4.894 43 HA LYS 13 HA LYS 13 -5.117 -3.551 -2.199 44 HB2 LYS 13 2HB LYS 13 -6.462 -6.047 -3.239 45 HB3 LYS 13 1HB LYS 13 -5.638 -5.917 -1.688 46 HG2 LYS 13 2HG LYS 13 -7.223 -4.260 -0.938 47 HG3 LYS 13 1HG LYS 13 -8.000 -4.252 -2.517 48 HD2 LYS 13 2HD LYS 13 -8.650 -6.584 -2.201 49 HD3 LYS 13 1HD LYS 13 -7.865 -6.586 -0.617 50 HE2 LYS 13 2HE LYS 13 -10.273 -6.242 -0.410 51 HE3 LYS 13 1HE LYS 13 -9.384 -4.824 0.143 52 HZ1 LYS 13 3HZ LYS 13 -11.268 -4.189 -1.227 53 HZ2 LYS 13 1HZ LYS 13 -10.726 -5.151 -2.481 54 HZ3 LYS 13 2HZ LYS 13 -9.857 -3.778 -2.039 55 H CYS 14 H CYS 14 -3.253 -4.836 -1.716 56 HA CYS 14 HA CYS 14 -1.778 -5.573 -4.140 57 HB2 CYS 14 2HB CYS 14 0.190 -4.443 -3.252 58 HB3 CYS 14 1HB CYS 14 -1.157 -3.326 -3.470 59 H ARG 15 H ARG 15 0.290 -6.645 -3.549 60 HA ARG 15 HA ARG 15 0.040 -8.435 -1.225 61 HB2 ARG 15 2HB ARG 15 0.825 -9.113 -4.068 62 HB3 ARG 15 1HB ARG 15 0.918 -10.229 -2.707 63 HG2 ARG 15 2HG ARG 15 -1.454 -10.213 -2.441 64 HG3 ARG 15 1HG ARG 15 -1.627 -8.917 -3.624 65 HD2 ARG 15 2HD ARG 15 -0.823 -10.393 -5.370 66 HD3 ARG 15 1HD ARG 15 -0.585 -11.683 -4.188 67 HE ARG 15 HE ARG 15 -3.082 -11.334 -3.778 68 HH11 ARG 15 1HH1 ARG 15 -1.510 -11.186 -6.949 69 HH12 ARG 15 2HH1 ARG 15 -2.906 -11.624 -7.816 70 HH21 ARG 15 1HH2 ARG 15 -5.014 -11.948 -5.010 71 HH22 ARG 15 2HH2 ARG 15 -4.911 -12.056 -6.696 72 H CYS 16 H CYS 16 1.494 -5.946 -1.819 73 HA CYS 16 HA CYS 16 4.169 -6.180 -2.467 74 HB2 CYS 16 2HB CYS 16 2.931 -4.332 -0.421 75 HB3 CYS 16 1HB CYS 16 4.524 -4.136 -1.136 76 H GLY 17 H GLY 17 5.700 -7.307 -1.632 77 HA2 GLY 17 2HA GLY 17 7.053 -7.615 0.472 78 HA3 GLY 17 1HA GLY 17 5.528 -8.126 1.204 79 H ILE 18 H ILE 18 4.476 -9.492 -0.962 80 HA ILE 18 HA ILE 18 6.224 -11.834 -1.088 81 HB ILE 18 HB ILE 18 3.295 -11.631 -1.909 82 HG12 ILE 18 2HG1 ILE 18 4.466 -12.422 0.771 83 HG13 ILE 18 1HG1 ILE 18 3.514 -10.997 0.429 84 HG21 ILE 18 1HG2 ILE 18 4.481 -13.568 -2.813 85 HG22 ILE 18 2HG2 ILE 18 3.314 -14.079 -1.592 86 HG23 ILE 18 3HG2 ILE 18 5.029 -14.007 -1.193 87 HD11 ILE 18 3HD1 ILE 18 2.178 -12.696 1.554 88 HD12 ILE 18 1HD1 ILE 18 2.500 -13.827 0.241 89 HD13 ILE 18 2HD1 ILE 18 1.560 -12.365 -0.062 90 H SER 19 H SER 19 5.169 -9.155 -2.738 91 HA SER 19 HA SER 19 4.639 -9.810 -5.336 92 HB2 SER 19 2HB SER 19 5.479 -7.353 -5.597 93 HB3 SER 19 1HB SER 19 4.024 -7.712 -4.650 94 HG SER 19 HG SER 19 6.223 -6.483 -3.787 95 H GLY 20 H GLY 20 7.809 -9.028 -3.884 96 HA2 GLY 20 2HA GLY 20 9.714 -10.215 -4.864 97 HA3 GLY 20 1HA GLY 20 9.024 -9.838 -6.443 98 H SER 21 H SER 21 9.030 -7.663 -7.166 99 HA SER 21 HA SER 21 11.312 -6.204 -6.256 100 HB2 SER 21 2HB SER 21 9.226 -5.493 -8.323 101 HB3 SER 21 1HB SER 21 10.745 -4.636 -8.076 102 HG SER 21 HG SER 21 11.291 -7.205 -8.328 103 H SER 22 H SER 22 10.777 -5.684 -4.161 104 HA SER 22 HA SER 22 9.304 -3.237 -3.847 105 HB2 SER 22 2HB SER 22 8.590 -5.721 -2.233 106 HB3 SER 22 1HB SER 22 7.932 -4.103 -1.980 107 HG SER 22 HG SER 22 7.646 -4.704 -4.504 108 H ASN 23 H ASN 23 10.515 -2.020 -2.520 109 HA ASN 23 HA ASN 23 12.835 -3.132 -1.311 110 HB2 ASN 23 2HB ASN 23 11.689 -0.366 -1.140 111 HB3 ASN 23 1HB ASN 23 13.141 -0.817 -0.268 112 HD21 ASN 23 1HD2 ASN 23 14.969 -1.527 -1.533 113 HD22 ASN 23 2HD2 ASN 23 15.176 -0.964 -3.142 114 H THR 24 H THR 24 13.470 -2.844 0.954 115 HA THR 24 HA THR 24 11.650 -4.294 2.514 116 HB THR 24 HB THR 24 14.154 -2.873 3.435 117 HG1 THR 24 1HG THR 24 13.699 -5.106 1.794 118 HG21 THR 24 3HG2 THR 24 14.317 -4.805 4.955 119 HG22 THR 24 1HG2 THR 24 12.819 -5.457 4.295 120 HG23 THR 24 2HG2 THR 24 12.800 -3.945 5.207 121 H LEU 25 H LEU 25 12.693 -0.918 2.582 122 HA LEU 25 HA LEU 25 10.744 -0.391 4.679 123 HB2 LEU 25 2HB LEU 25 11.586 1.864 4.842 124 HB3 LEU 25 1HB LEU 25 12.936 0.762 4.862 125 HG LEU 25 HG LEU 25 12.103 2.438 2.476 126 HD11 LEU 25 1HD1 LEU 25 14.300 2.851 4.467 127 HD12 LEU 25 2HD1 LEU 25 12.843 3.832 4.299 128 HD13 LEU 25 3HD1 LEU 25 14.048 3.801 3.008 129 HD21 LEU 25 3HD2 LEU 25 14.416 1.927 1.687 130 HD22 LEU 25 1HD2 LEU 25 13.351 0.522 1.717 131 HD23 LEU 25 2HD2 LEU 25 14.550 0.748 2.988 132 H THR 26 H THR 26 11.293 0.519 1.327 133 HA THR 26 HA THR 26 8.840 2.014 1.188 134 HB THR 26 HB THR 26 10.633 1.300 -1.131 135 HG1 THR 26 1HG THR 26 11.852 3.251 -0.333 136 HG21 THR 26 3HG2 THR 26 8.612 2.700 -1.501 137 HG22 THR 26 1HG2 THR 26 10.094 3.603 -1.810 138 HG23 THR 26 2HG2 THR 26 9.210 3.846 -0.307 139 H THR 27 H THR 27 8.322 -0.707 1.839 140 HA THR 27 HA THR 27 7.977 -2.440 -0.336 141 HB THR 27 HB THR 27 6.333 -2.454 2.196 142 HG1 THR 27 1HG THR 27 9.059 -3.075 1.727 143 HG21 THR 27 3HG2 THR 27 5.817 -4.180 0.510 144 HG22 THR 27 1HG2 THR 27 6.550 -4.891 1.946 145 HG23 THR 27 2HG2 THR 27 7.515 -4.660 0.487 146 H CYS 28 H CYS 28 5.369 -0.868 1.531 147 HA CYS 28 HA CYS 28 3.766 -0.847 -0.862 148 HB2 CYS 28 2HB CYS 28 3.053 -0.410 2.002 149 HB3 CYS 28 1HB CYS 28 1.943 0.068 0.718 150 H ARG 29 H ARG 29 5.953 1.156 0.302 151 HA ARG 29 HA ARG 29 4.421 3.580 -0.198 152 HB2 ARG 29 2HB ARG 29 5.846 3.358 1.844 153 HB3 ARG 29 1HB ARG 29 7.258 3.333 0.803 154 HG2 ARG 29 2HG ARG 29 6.773 5.582 0.040 155 HG3 ARG 29 1HG ARG 29 5.297 5.605 1.001 156 HD2 ARG 29 2HD ARG 29 6.985 6.785 2.211 157 HD3 ARG 29 1HD ARG 29 6.657 5.246 3.010 158 HE ARG 29 HE ARG 29 8.929 5.411 1.182 159 HH11 ARG 29 1HH1 ARG 29 7.719 5.175 4.499 160 HH12 ARG 29 2HH1 ARG 29 9.207 4.738 5.172 161 HH21 ARG 29 1HH2 ARG 29 10.985 4.839 2.103 162 HH22 ARG 29 2HH2 ARG 29 11.107 4.583 3.800 163 H ASN 30 H ASN 30 5.924 1.513 -2.142 164 HA ASN 30 HA ASN 30 7.214 3.630 -3.685 165 HB2 ASN 30 2HB ASN 30 8.318 1.974 -5.029 166 HB3 ASN 30 1HB ASN 30 8.537 1.500 -3.356 167 HD21 ASN 30 1HD2 ASN 30 7.590 -0.378 -2.658 168 HD22 ASN 30 2HD2 ASN 30 6.847 -1.516 -3.718 169 H SER 31 H SER 31 6.840 3.433 -6.141 170 HA SER 31 HA SER 31 4.158 4.058 -6.480 171 HB2 SER 31 2HB SER 31 4.972 4.181 -8.927 172 HB3 SER 31 1HB SER 31 5.636 5.292 -7.727 173 HG SER 31 HG SER 31 7.291 4.439 -8.877 174 H ARG 32 H ARG 32 5.651 0.985 -6.643 175 HA ARG 32 HA ARG 32 3.828 0.006 -8.647 176 HB2 ARG 32 2HB ARG 32 5.778 -1.533 -6.952 177 HB3 ARG 32 1HB ARG 32 4.910 -2.148 -8.350 178 HG2 ARG 32 2HG ARG 32 6.096 -0.446 -9.741 179 HG3 ARG 32 1HG ARG 32 7.046 -0.040 -8.305 180 HD2 ARG 32 2HD ARG 32 8.262 -1.611 -9.675 181 HD3 ARG 32 1HD ARG 32 7.780 -2.380 -8.159 182 HE ARG 32 HE ARG 32 6.396 -2.741 -10.727 183 HH11 ARG 32 1HH1 ARG 32 7.410 -4.096 -7.581 184 HH12 ARG 32 2HH1 ARG 32 6.794 -5.636 -7.948 185 HH21 ARG 32 1HH2 ARG 32 5.550 -4.822 -11.134 186 HH22 ARG 32 2HH2 ARG 32 5.682 -6.058 -9.963 187 H CYS 33 H CYS 33 3.493 0.765 -5.503 188 HA CYS 33 HA CYS 33 1.762 -1.455 -4.877 189 HB2 CYS 33 2HB CYS 33 3.105 -0.484 -3.062 190 HB3 CYS 33 1HB CYS 33 2.372 1.083 -3.347 191 HA PRO 34 HA PRO 34 -1.349 0.665 -7.329 192 HB2 PRO 34 2HB PRO 34 -3.433 -1.000 -6.585 193 HB3 PRO 34 1HB PRO 34 -2.296 -1.334 -7.892 194 HG2 PRO 34 2HG PRO 34 -2.290 -2.315 -5.077 195 HG3 PRO 34 1HG PRO 34 -1.926 -3.200 -6.570 196 HD2 PRO 34 2HD PRO 34 0.009 -2.354 -4.956 197 HD3 PRO 34 1HD PRO 34 0.224 -2.292 -6.718 198 H CYS 35 H CYS 35 -1.678 -0.107 -3.989 199 HA CYS 35 HA CYS 35 -4.008 1.412 -3.397 200 HB2 CYS 35 2HB CYS 35 -1.704 0.693 -1.600 201 HB3 CYS 35 1HB CYS 35 -3.326 1.143 -1.089 202 H TYR 36 H TYR 36 -0.625 1.949 -2.668 203 HA TYR 36 HA TYR 36 -0.658 4.539 -1.760 204 HB2 TYR 36 2HB TYR 36 1.262 3.166 -1.468 205 HB3 TYR 36 1HB TYR 36 1.412 2.903 -3.194 206 HD1 TYR 36 1HD TYR 36 1.927 5.355 -0.482 207 HD2 TYR 36 2HD TYR 36 2.603 4.415 -4.569 208 HE1 TYR 36 1HE TYR 36 3.584 7.169 -0.627 209 HE2 TYR 36 2HE TYR 36 4.235 6.199 -4.739 210 HH TYR 36 HH TYR 36 5.512 7.750 -2.000 211 H LYS 37 H LYS 37 -0.103 3.378 -5.057 212 HA LYS 37 HA LYS 37 0.350 5.938 -6.126 213 HB2 LYS 37 2HB LYS 37 1.110 3.688 -7.023 214 HB3 LYS 37 1HB LYS 37 -0.507 3.516 -7.685 215 HG2 LYS 37 2HG LYS 37 -0.192 5.494 -9.048 216 HG3 LYS 37 1HG LYS 37 1.406 5.743 -8.335 217 HD2 LYS 37 2HD LYS 37 2.059 3.493 -9.181 218 HD3 LYS 37 1HD LYS 37 0.514 3.416 -10.028 219 HE2 LYS 37 2HE LYS 37 1.114 5.390 -11.310 220 HE3 LYS 37 1HE LYS 37 2.635 5.514 -10.427 221 HZ1 LYS 37 3HZ LYS 37 3.276 3.356 -11.322 222 HZ2 LYS 37 1HZ LYS 37 2.942 4.443 -12.572 223 HZ3 LYS 37 2HZ LYS 37 1.826 3.251 -12.158 224 H SER 38 H SER 38 -2.581 4.148 -5.531 225 HA SER 38 HA SER 38 -4.110 6.049 -7.156 226 HB2 SER 38 2HB SER 38 -5.141 3.605 -5.701 227 HB3 SER 38 1HB SER 38 -5.978 4.539 -6.941 228 HG SER 38 HG SER 38 -3.848 2.777 -7.121 229 H TYR 39 H TYR 39 -2.804 6.132 -4.279 230 HA TYR 39 HA TYR 39 -3.071 7.342 -2.416 231 HB2 TYR 39 2HB TYR 39 -5.411 8.545 -3.910 232 HB3 TYR 39 1HB TYR 39 -4.824 9.141 -2.363 233 HD1 TYR 39 1HD TYR 39 -3.919 8.674 -5.920 234 HD2 TYR 39 2HD TYR 39 -2.924 10.562 -2.253 235 HE1 TYR 39 1HE TYR 39 -2.307 10.097 -7.099 236 HE2 TYR 39 2HE TYR 39 -1.304 11.991 -3.415 237 HH TYR 39 HH TYR 39 -1.258 12.312 -6.755 238 H ASN 40 H ASN 40 -4.291 4.738 -2.586 239 HA ASN 40 HA ASN 40 -6.411 5.065 -0.577 240 HB2 ASN 40 2HB ASN 40 -5.912 2.756 -2.465 241 HB3 ASN 40 1HB ASN 40 -6.979 2.628 -1.074 242 HD21 ASN 40 1HD2 ASN 40 -6.568 3.862 -4.251 243 HD22 ASN 40 2HD2 ASN 40 -8.178 4.407 -4.488 244 H SER 41 H SER 41 -6.452 3.510 1.147 245 HA SER 41 HA SER 41 -3.822 3.035 2.212 246 HB2 SER 41 2HB SER 41 -5.139 2.419 4.242 247 HB3 SER 41 1HB SER 41 -5.475 4.047 3.656 248 HG SER 41 HG SER 41 -7.297 2.722 4.253 249 H CYS 42 H CYS 42 -3.417 0.961 3.322 250 HA CYS 42 HA CYS 42 -4.208 -1.211 1.611 251 HB2 CYS 42 2HB CYS 42 -1.966 -0.914 3.591 252 HB3 CYS 42 1HB CYS 42 -2.416 -2.480 2.912 253 H ALA 43 H ALA 43 -6.192 -1.064 2.430 254 HA ALA 43 HA ALA 43 -6.517 -2.546 4.956 255 HB1 ALA 43 1HB ALA 43 -7.673 -0.381 4.966 256 HB2 ALA 43 2HB ALA 43 -8.828 -1.713 5.024 257 HB3 ALA 43 3HB ALA 43 -8.559 -0.843 3.514 258 H GLY 44 H GLY 44 -6.526 -4.625 4.445 259 HA2 GLY 44 2HA GLY 44 -7.868 -6.499 3.825 260 HA3 GLY 44 1HA GLY 44 -8.580 -5.525 2.547 261 H CYS 45 H CYS 45 -5.262 -5.217 2.855 262 HA CYS 45 HA CYS 45 -4.865 -6.496 0.287 263 HB2 CYS 45 2HB CYS 45 -2.906 -5.063 2.075 264 HB3 CYS 45 1HB CYS 45 -2.635 -5.564 0.410 265 H HIS 46 H HIS 46 -2.661 -7.664 0.166 266 HA HIS 46 HA HIS 46 -2.432 -9.479 2.445 267 HB2 HIS 46 2HB HIS 46 -2.231 -10.073 -0.511 268 HB3 HIS 46 1HB HIS 46 -1.635 -11.190 0.711 269 HD1 HIS 46 1HD HIS 46 -3.408 -12.538 2.036 270 HD2 HIS 46 2HD HIS 46 -5.040 -9.846 -0.680 271 HE1 HIS 46 1HE HIS 46 -5.839 -13.106 1.890 272 HE2 HIS 46 2HE HIS 46 -6.813 -11.227 0.567 273 H CYS 47 H CYS 47 -1.219 -6.953 1.775 274 HA CYS 47 HA CYS 47 1.467 -7.434 1.004 275 HB2 CYS 47 2HB CYS 47 1.854 -5.070 1.785 276 HB3 CYS 47 1HB CYS 47 0.628 -5.253 0.544 277 H VAL 48 H VAL 48 3.265 -7.483 2.212 278 HA VAL 48 HA VAL 48 2.888 -8.189 5.054 279 HB VAL 48 HB VAL 48 4.974 -9.320 3.172 280 HG11 VAL 48 1HG1 VAL 48 5.660 -9.327 5.484 281 HG12 VAL 48 2HG1 VAL 48 5.355 -10.975 4.930 282 HG13 VAL 48 3HG1 VAL 48 4.172 -10.154 5.948 283 HG21 VAL 48 3HG2 VAL 48 2.779 -10.092 2.463 284 HG22 VAL 48 1HG2 VAL 48 2.424 -10.641 4.102 285 HG23 VAL 48 2HG2 VAL 48 3.712 -11.408 3.159 286 H GLY 49 H GLY 49 3.809 -6.622 6.231 287 HA2 GLY 49 2HA GLY 49 5.499 -5.255 6.990 288 HA3 GLY 49 1HA GLY 49 6.481 -5.733 5.598 289 H CYS 50 H CYS 50 3.345 -4.273 6.044 290 HA CYS 50 HA CYS 50 3.639 -2.666 3.709 291 HB2 CYS 50 2HB CYS 50 1.519 -3.622 4.048 292 HB3 CYS 50 1HB CYS 50 1.468 -3.102 5.727 293 H LYS 51 H LYS 51 4.721 -0.822 3.814 294 HA LYS 51 HA LYS 51 4.075 0.926 6.075 295 HB2 LYS 51 2HB LYS 51 6.427 1.221 4.156 296 HB3 LYS 51 1HB LYS 51 6.070 2.283 5.489 297 HG2 LYS 51 2HG LYS 51 7.859 0.973 6.231 298 HG3 LYS 51 1HG LYS 51 6.443 0.248 6.998 299 HD2 LYS 51 2HD LYS 51 6.374 -1.435 5.190 300 HD3 LYS 51 1HD LYS 51 7.831 -0.725 4.501 301 HE2 LYS 51 2HE LYS 51 9.046 -1.259 6.549 302 HE3 LYS 51 1HE LYS 51 7.581 -1.984 7.224 303 HZ1 LYS 51 3HZ LYS 51 7.618 -3.504 5.231 304 HZ2 LYS 51 1HZ LYS 51 8.893 -3.712 6.338 305 HZ3 LYS 51 2HZ LYS 51 9.168 -2.898 4.905 306 H ASN 52 H ASN 52 2.192 1.596 5.229 307 HA ASN 52 HA ASN 52 2.360 2.978 2.654 308 HB2 ASN 52 2HB ASN 52 0.648 1.130 2.903 309 HB3 ASN 52 1HB ASN 52 -0.170 2.106 4.105 310 HD21 ASN 52 1HD2 ASN 52 -1.301 1.198 1.717 311 HD22 ASN 52 2HD2 ASN 52 -1.714 2.572 0.753 312 HA PRO 53 HA PRO 53 2.103 6.682 5.263 313 HB2 PRO 53 2HB PRO 53 1.813 8.009 2.647 314 HB3 PRO 53 1HB PRO 53 3.005 8.295 3.917 315 HG2 PRO 53 2HG PRO 53 3.662 7.089 1.626 316 HG3 PRO 53 1HG PRO 53 4.399 6.621 3.168 317 HD2 PRO 53 2HD PRO 53 2.269 5.246 1.588 318 HD3 PRO 53 1HD PRO 53 3.617 4.568 2.524 319 H HIS 54 H HIS 54 -0.146 5.456 2.952 320 HA HIS 54 HA HIS 54 -2.048 7.563 3.430 321 HB2 HIS 54 2HB HIS 54 -2.341 5.040 1.800 322 HB3 HIS 54 1HB HIS 54 -3.605 6.253 1.980 323 HD1 HIS 54 1HD HIS 54 -3.132 8.598 0.877 324 HD2 HIS 54 2HD HIS 54 -0.357 5.640 0.038 325 HE1 HIS 54 1HE HIS 54 -1.823 9.460 -1.059 326 HE2 HIS 54 2HE HIS 54 -0.069 7.737 -1.500 327 H LYS 55 H LYS 55 -2.278 7.467 5.457 328 HA LYS 55 HA LYS 55 -4.271 5.596 6.443 329 HB2 LYS 55 2HB LYS 55 -1.825 6.524 7.997 330 HB3 LYS 55 1HB LYS 55 -3.158 5.594 8.657 331 HG2 LYS 55 2HG LYS 55 -2.537 3.711 7.225 332 HG3 LYS 55 1HG LYS 55 -1.200 4.660 6.567 333 HD2 LYS 55 2HD LYS 55 -0.246 4.857 8.809 334 HD3 LYS 55 1HD LYS 55 -1.576 3.896 9.453 335 HE2 LYS 55 2HE LYS 55 -0.880 2.011 8.051 336 HE3 LYS 55 1HE LYS 55 0.452 2.979 7.422 337 HZ1 LYS 55 3HZ LYS 55 1.112 1.462 9.207 338 HZ2 LYS 55 1HZ LYS 55 0.097 2.244 10.277 339 HZ3 LYS 55 2HZ LYS 55 1.424 3.052 9.628 340 H GLU 56 H GLU 56 -5.346 6.721 8.333 341 HA GLU 56 HA GLU 56 -5.775 9.398 7.555 342 HB2 GLU 56 2HB GLU 56 -7.384 9.476 9.522 343 HB3 GLU 56 1HB GLU 56 -7.746 8.312 8.268 344 HG2 GLU 56 2HG GLU 56 -6.331 7.563 10.820 345 HG3 GLU 56 1HG GLU 56 -8.084 7.590 10.687 346 H ASP 57 H ASP 57 -4.465 10.920 7.960 347 HA ASP 57 HA ASP 57 -2.766 10.968 10.268 348 HB2 ASP 57 2HB ASP 57 -3.297 13.085 8.153 349 HB3 ASP 57 1HB ASP 57 -2.188 13.326 9.495 350 H TYR 58 H TYR 58 -4.126 10.781 11.837 351 HA TYR 58 HA TYR 58 -5.958 12.989 12.483 352 HB2 TYR 58 2HB TYR 58 -7.257 11.184 11.609 353 HB3 TYR 58 1HB TYR 58 -6.356 10.003 12.526 354 HD1 TYR 58 1HD TYR 58 -8.552 12.990 13.146 355 HD2 TYR 58 2HD TYR 58 -7.388 9.081 14.333 356 HE1 TYR 58 1HE TYR 58 -10.343 12.969 14.819 357 HE2 TYR 58 2HE TYR 58 -9.165 9.052 16.012 358 HH TYR 58 HH TYR 58 -10.534 10.619 17.276 359 H VAL 59 H VAL 59 -5.156 13.880 14.287 360 HA VAL 59 HA VAL 59 -4.005 12.074 16.232 361 HB VAL 59 HB VAL 59 -2.834 14.057 17.247 362 HG11 VAL 59 1HG1 VAL 59 -2.197 13.483 14.362 363 HG12 VAL 59 2HG1 VAL 59 -1.655 12.557 15.764 364 HG13 VAL 59 3HG1 VAL 59 -1.097 14.216 15.530 365 HG21 VAL 59 3HG2 VAL 59 -3.737 15.488 14.739 366 HG22 VAL 59 1HG2 VAL 59 -2.555 16.101 15.898 367 HG23 VAL 59 2HG2 VAL 59 -4.229 15.869 16.387 Start of MODEL 14 1 H1 SER 8 1HT SER 8 -19.784 2.549 -5.262 2 H2 SER 8 2HT SER 8 -20.411 2.961 -3.740 3 H3 SER 8 3HT SER 8 -19.809 1.413 -4.028 4 HA SER 8 HA SER 8 -18.201 3.854 -4.042 5 HB2 SER 8 2HB SER 8 -18.374 1.583 -2.038 6 HB3 SER 8 1HB SER 8 -17.372 3.038 -1.895 7 HG SER 8 HG SER 8 -19.143 4.229 -1.472 8 HA PRO 9 HA PRO 9 -15.475 0.969 -6.101 9 HB2 PRO 9 2HB PRO 9 -13.142 2.335 -5.988 10 HB3 PRO 9 1HB PRO 9 -14.477 2.815 -7.036 11 HG2 PRO 9 2HG PRO 9 -13.493 4.074 -4.561 12 HG3 PRO 9 1HG PRO 9 -14.449 4.775 -5.870 13 HD2 PRO 9 2HD PRO 9 -15.374 3.836 -3.316 14 HD3 PRO 9 1HD PRO 9 -16.330 4.516 -4.642 15 HA PRO 10 HA PRO 10 -13.529 -1.205 -2.700 16 HB2 PRO 10 2HB PRO 10 -12.547 -3.295 -4.188 17 HB3 PRO 10 1HB PRO 10 -14.218 -3.219 -3.609 18 HG2 PRO 10 2HG PRO 10 -13.115 -2.647 -6.312 19 HG3 PRO 10 1HG PRO 10 -14.662 -3.378 -5.862 20 HD2 PRO 10 2HD PRO 10 -14.375 -0.772 -6.664 21 HD3 PRO 10 1HD PRO 10 -15.687 -1.348 -5.617 22 H LYS 11 H LYS 11 -11.549 -0.904 -1.927 23 HA LYS 11 HA LYS 11 -9.616 0.569 -3.377 24 HB2 LYS 11 2HB LYS 11 -9.343 -0.941 -0.795 25 HB3 LYS 11 1HB LYS 11 -8.167 0.219 -1.398 26 HG2 LYS 11 2HG LYS 11 -9.971 1.943 -1.272 27 HG3 LYS 11 1HG LYS 11 -10.987 0.750 -0.484 28 HD2 LYS 11 2HD LYS 11 -8.302 1.703 0.540 29 HD3 LYS 11 1HD LYS 11 -9.852 2.299 1.106 30 HE2 LYS 11 2HE LYS 11 -9.153 0.738 2.738 31 HE3 LYS 11 1HE LYS 11 -10.348 -0.121 1.771 32 HZ1 LYS 11 3HZ LYS 11 -7.407 -0.355 1.411 33 HZ2 LYS 11 1HZ LYS 11 -8.574 -1.293 0.646 34 HZ3 LYS 11 2HZ LYS 11 -8.342 -1.457 2.287 35 HA PRO 12 HA PRO 12 -7.312 -2.659 -5.426 36 HB2 PRO 12 2HB PRO 12 -4.951 -1.040 -4.622 37 HB3 PRO 12 1HB PRO 12 -5.397 -1.630 -6.220 38 HG2 PRO 12 2HG PRO 12 -5.721 0.940 -5.586 39 HG3 PRO 12 1HG PRO 12 -6.903 0.083 -6.589 40 HD2 PRO 12 2HD PRO 12 -7.092 0.889 -3.729 41 HD3 PRO 12 1HD PRO 12 -8.355 0.792 -4.979 42 H LYS 13 H LYS 13 -5.990 -4.376 -4.850 43 HA LYS 13 HA LYS 13 -4.990 -4.432 -2.133 44 HB2 LYS 13 2HB LYS 13 -5.784 -6.849 -1.984 45 HB3 LYS 13 1HB LYS 13 -7.008 -5.602 -1.868 46 HG2 LYS 13 2HG LYS 13 -7.631 -5.975 -4.200 47 HG3 LYS 13 1HG LYS 13 -6.390 -7.222 -4.333 48 HD2 LYS 13 2HD LYS 13 -7.502 -8.602 -2.737 49 HD3 LYS 13 1HD LYS 13 -8.641 -7.314 -2.340 50 HE2 LYS 13 2HE LYS 13 -9.673 -8.981 -3.786 51 HE3 LYS 13 1HE LYS 13 -9.560 -7.420 -4.592 52 HZ1 LYS 13 3HZ LYS 13 -8.973 -9.243 -6.037 53 HZ2 LYS 13 1HZ LYS 13 -7.730 -9.721 -5.020 54 HZ3 LYS 13 2HZ LYS 13 -7.645 -8.233 -5.819 55 H CYS 14 H CYS 14 -3.025 -4.873 -2.071 56 HA CYS 14 HA CYS 14 -1.679 -6.057 -4.395 57 HB2 CYS 14 2HB CYS 14 0.263 -4.699 -3.602 58 HB3 CYS 14 1HB CYS 14 -1.149 -3.742 -4.009 59 H ARG 15 H ARG 15 0.218 -7.367 -3.900 60 HA ARG 15 HA ARG 15 0.027 -8.713 -1.282 61 HB2 ARG 15 2HB ARG 15 1.078 -9.869 -3.892 62 HB3 ARG 15 1HB ARG 15 1.088 -10.699 -2.359 63 HG2 ARG 15 2HG ARG 15 -0.701 -11.620 -3.551 64 HG3 ARG 15 1HG ARG 15 -1.468 -10.529 -2.414 65 HD2 ARG 15 2HD ARG 15 -1.567 -8.809 -4.200 66 HD3 ARG 15 1HD ARG 15 -0.898 -9.995 -5.322 67 HE ARG 15 HE ARG 15 -3.149 -11.071 -4.103 68 HH11 ARG 15 1HH1 ARG 15 -2.293 -8.561 -6.448 69 HH12 ARG 15 2HH1 ARG 15 -3.803 -8.605 -7.245 70 HH21 ARG 15 1HH2 ARG 15 -5.265 -11.064 -5.175 71 HH22 ARG 15 2HH2 ARG 15 -5.505 -10.017 -6.507 72 H CYS 16 H CYS 16 1.441 -6.324 -1.897 73 HA CYS 16 HA CYS 16 4.188 -6.622 -2.297 74 HB2 CYS 16 2HB CYS 16 2.793 -4.576 -0.547 75 HB3 CYS 16 1HB CYS 16 4.430 -4.460 -1.183 76 H GLY 17 H GLY 17 5.832 -7.251 -0.995 77 HA2 GLY 17 2HA GLY 17 6.714 -7.521 1.232 78 HA3 GLY 17 1HA GLY 17 5.114 -8.098 1.720 79 H ILE 18 H ILE 18 4.452 -9.604 -0.408 80 HA ILE 18 HA ILE 18 5.986 -11.997 0.077 81 HB ILE 18 HB ILE 18 3.630 -11.536 -1.784 82 HG12 ILE 18 2HG1 ILE 18 3.697 -12.489 1.089 83 HG13 ILE 18 1HG1 ILE 18 3.063 -10.961 0.509 84 HG21 ILE 18 1HG2 ILE 18 4.766 -14.103 -0.655 85 HG22 ILE 18 2HG2 ILE 18 4.878 -13.571 -2.330 86 HG23 ILE 18 3HG2 ILE 18 3.308 -13.972 -1.634 87 HD11 ILE 18 3HD1 ILE 18 1.950 -13.668 -0.173 88 HD12 ILE 18 1HD1 ILE 18 1.309 -12.117 -0.712 89 HD13 ILE 18 2HD1 ILE 18 1.279 -12.543 1.002 90 H SER 19 H SER 19 5.232 -9.807 -2.564 91 HA SER 19 HA SER 19 7.691 -10.453 -3.951 92 HB2 SER 19 2HB SER 19 4.985 -10.599 -5.315 93 HB3 SER 19 1HB SER 19 6.550 -10.884 -6.066 94 HG SER 19 HG SER 19 6.742 -12.627 -4.461 95 H GLY 20 H GLY 20 8.339 -8.593 -5.207 96 HA2 GLY 20 2HA GLY 20 6.873 -6.685 -6.363 97 HA3 GLY 20 1HA GLY 20 6.819 -6.197 -4.677 98 H SER 21 H SER 21 7.890 -4.539 -6.571 99 HA SER 21 HA SER 21 10.752 -4.748 -6.332 100 HB2 SER 21 2HB SER 21 10.553 -2.701 -7.861 101 HB3 SER 21 1HB SER 21 9.995 -4.239 -8.526 102 HG SER 21 HG SER 21 8.590 -1.980 -7.811 103 H SER 22 H SER 22 11.960 -3.118 -5.290 104 HA SER 22 HA SER 22 12.491 -1.698 -3.585 105 HB2 SER 22 2HB SER 22 9.771 -0.441 -4.116 106 HB3 SER 22 1HB SER 22 11.164 0.336 -3.366 107 HG SER 22 HG SER 22 12.180 -0.335 -5.540 108 H ASN 23 H ASN 23 11.199 -4.139 -3.089 109 HA ASN 23 HA ASN 23 9.020 -3.949 -1.274 110 HB2 ASN 23 2HB ASN 23 9.284 -5.779 -2.876 111 HB3 ASN 23 1HB ASN 23 10.759 -6.284 -2.086 112 HD21 ASN 23 1HD2 ASN 23 10.608 -7.363 -0.104 113 HD22 ASN 23 2HD2 ASN 23 9.121 -8.003 0.497 114 H THR 24 H THR 24 12.267 -3.757 -0.969 115 HA THR 24 HA THR 24 12.759 -4.957 1.529 116 HB THR 24 HB THR 24 14.788 -3.352 1.432 117 HG1 THR 24 1HG THR 24 15.116 -2.503 -0.655 118 HG21 THR 24 3HG2 THR 24 15.880 -4.825 -0.230 119 HG22 THR 24 1HG2 THR 24 14.302 -5.439 -0.713 120 HG23 THR 24 2HG2 THR 24 14.909 -5.750 0.913 121 H LEU 25 H LEU 25 12.593 -1.488 0.740 122 HA LEU 25 HA LEU 25 12.056 -0.981 3.604 123 HB2 LEU 25 2HB LEU 25 13.136 0.971 1.565 124 HB3 LEU 25 1HB LEU 25 12.760 1.369 3.221 125 HG LEU 25 HG LEU 25 14.561 -0.383 3.827 126 HD11 LEU 25 1HD1 LEU 25 15.377 0.180 0.989 127 HD12 LEU 25 2HD1 LEU 25 14.777 -1.354 1.604 128 HD13 LEU 25 3HD1 LEU 25 16.312 -0.712 2.193 129 HD21 LEU 25 3HD2 LEU 25 14.801 2.009 4.193 130 HD22 LEU 25 1HD2 LEU 25 15.319 2.227 2.522 131 HD23 LEU 25 2HD2 LEU 25 16.321 1.306 3.640 132 H THR 26 H THR 26 11.134 0.180 0.404 133 HA THR 26 HA THR 26 8.830 1.521 1.576 134 HB THR 26 HB THR 26 8.826 2.673 -0.676 135 HG1 THR 26 1HG THR 26 10.013 1.007 -1.744 136 HG21 THR 26 3HG2 THR 26 10.799 4.077 -0.165 137 HG22 THR 26 1HG2 THR 26 11.381 2.834 0.938 138 HG23 THR 26 2HG2 THR 26 9.891 3.704 1.302 139 H THR 27 H THR 27 8.376 -1.110 1.603 140 HA THR 27 HA THR 27 7.811 -2.607 -0.559 141 HB THR 27 HB THR 27 6.148 -2.568 1.946 142 HG1 THR 27 1HG THR 27 8.713 -3.803 1.758 143 HG21 THR 27 3HG2 THR 27 5.600 -4.259 0.289 144 HG22 THR 27 1HG2 THR 27 6.323 -5.010 1.701 145 HG23 THR 27 2HG2 THR 27 7.282 -4.790 0.235 146 H CYS 28 H CYS 28 5.216 -1.010 1.295 147 HA CYS 28 HA CYS 28 3.644 -0.869 -1.109 148 HB2 CYS 28 2HB CYS 28 2.934 -0.618 1.769 149 HB3 CYS 28 1HB CYS 28 1.802 -0.043 0.556 150 H ARG 29 H ARG 29 5.837 1.050 0.105 151 HA ARG 29 HA ARG 29 4.353 3.559 -0.141 152 HB2 ARG 29 2HB ARG 29 5.739 3.202 1.849 153 HB3 ARG 29 1HB ARG 29 7.159 3.031 0.837 154 HG2 ARG 29 2HG ARG 29 6.899 5.355 0.110 155 HG3 ARG 29 1HG ARG 29 5.482 5.504 1.136 156 HD2 ARG 29 2HD ARG 29 6.779 5.163 3.110 157 HD3 ARG 29 1HD ARG 29 8.218 4.784 2.159 158 HE ARG 29 HE ARG 29 7.153 7.330 1.515 159 HH11 ARG 29 1HH1 ARG 29 9.039 5.768 4.049 160 HH12 ARG 29 2HH1 ARG 29 10.052 7.108 4.321 161 HH21 ARG 29 1HH2 ARG 29 8.461 9.109 1.839 162 HH22 ARG 29 2HH2 ARG 29 9.712 9.123 2.995 163 H ASN 30 H ASN 30 5.976 1.649 -2.221 164 HA ASN 30 HA ASN 30 7.349 3.858 -3.546 165 HB2 ASN 30 2HB ASN 30 8.414 2.262 -5.009 166 HB3 ASN 30 1HB ASN 30 8.562 1.680 -3.362 167 HD21 ASN 30 1HD2 ASN 30 7.447 -0.182 -2.769 168 HD22 ASN 30 2HD2 ASN 30 6.761 -1.235 -3.936 169 H SER 31 H SER 31 7.132 4.014 -5.956 170 HA SER 31 HA SER 31 4.434 4.706 -6.417 171 HB2 SER 31 2HB SER 31 6.760 4.788 -8.341 172 HB3 SER 31 1HB SER 31 5.234 5.663 -8.495 173 HG SER 31 HG SER 31 7.307 6.003 -6.626 174 H ARG 32 H ARG 32 5.752 1.683 -6.719 175 HA ARG 32 HA ARG 32 4.078 1.060 -9.025 176 HB2 ARG 32 2HB ARG 32 6.292 -0.560 -7.765 177 HB3 ARG 32 1HB ARG 32 5.279 -1.124 -9.086 178 HG2 ARG 32 2HG ARG 32 7.045 1.320 -9.231 179 HG3 ARG 32 1HG ARG 32 7.530 -0.283 -9.772 180 HD2 ARG 32 2HD ARG 32 6.809 1.057 -11.672 181 HD3 ARG 32 1HD ARG 32 5.679 -0.263 -11.419 182 HE ARG 32 HE ARG 32 4.875 2.189 -10.149 183 HH11 ARG 32 1HH1 ARG 32 4.883 0.515 -13.273 184 HH12 ARG 32 2HH1 ARG 32 3.471 1.256 -13.841 185 HH21 ARG 32 1HH2 ARG 32 2.958 3.214 -10.918 186 HH22 ARG 32 2HH2 ARG 32 2.337 2.839 -12.466 187 H CYS 33 H CYS 33 3.710 1.279 -5.843 188 HA CYS 33 HA CYS 33 2.173 -1.153 -5.573 189 HB2 CYS 33 2HB CYS 33 3.413 -0.339 -3.591 190 HB3 CYS 33 1HB CYS 33 2.510 1.165 -3.634 191 HA PRO 34 HA PRO 34 -1.257 0.784 -7.668 192 HB2 PRO 34 2HB PRO 34 -3.186 -0.972 -6.757 193 HB3 PRO 34 1HB PRO 34 -2.142 -1.269 -8.146 194 HG2 PRO 34 2HG PRO 34 -1.850 -2.207 -5.324 195 HG3 PRO 34 1HG PRO 34 -1.570 -3.101 -6.827 196 HD2 PRO 34 2HD PRO 34 0.452 -2.157 -5.413 197 HD3 PRO 34 1HD PRO 34 0.495 -2.076 -7.190 198 H CYS 35 H CYS 35 -1.512 -0.116 -4.316 199 HA CYS 35 HA CYS 35 -3.849 1.379 -3.734 200 HB2 CYS 35 2HB CYS 35 -1.651 0.448 -1.929 201 HB3 CYS 35 1HB CYS 35 -3.246 0.993 -1.410 202 H TYR 36 H TYR 36 -0.504 1.915 -2.884 203 HA TYR 36 HA TYR 36 -0.642 4.399 -1.736 204 HB2 TYR 36 2HB TYR 36 1.356 3.149 -1.547 205 HB3 TYR 36 1HB TYR 36 1.524 3.031 -3.291 206 HD1 TYR 36 2HD TYR 36 1.609 5.491 -0.498 207 HD2 TYR 36 1HD TYR 36 2.833 4.544 -4.451 208 HE1 TYR 36 2HE TYR 36 3.067 7.466 -0.514 209 HE2 TYR 36 1HE TYR 36 4.285 6.504 -4.489 210 HH TYR 36 HH TYR 36 4.650 8.511 -3.452 211 H LYS 37 H LYS 37 0.019 3.658 -5.146 212 HA LYS 37 HA LYS 37 0.333 6.348 -5.915 213 HB2 LYS 37 2HB LYS 37 1.033 4.059 -7.039 214 HB3 LYS 37 1HB LYS 37 -0.515 4.208 -7.839 215 HG2 LYS 37 2HG LYS 37 1.706 6.244 -7.963 216 HG3 LYS 37 1HG LYS 37 1.387 5.024 -9.184 217 HD2 LYS 37 2HD LYS 37 -0.845 6.045 -9.554 218 HD3 LYS 37 1HD LYS 37 -0.447 7.276 -8.356 219 HE2 LYS 37 2HE LYS 37 -0.072 8.170 -10.557 220 HE3 LYS 37 1HE LYS 37 1.482 7.940 -9.755 221 HZ1 LYS 37 3HZ LYS 37 1.751 5.863 -11.003 222 HZ2 LYS 37 1HZ LYS 37 1.566 7.177 -12.040 223 HZ3 LYS 37 2HZ LYS 37 0.287 6.138 -11.785 224 H SER 38 H SER 38 -2.464 4.229 -5.668 225 HA SER 38 HA SER 38 -4.137 6.158 -7.029 226 HB2 SER 38 2HB SER 38 -4.431 3.696 -7.402 227 HB3 SER 38 1HB SER 38 -4.901 3.533 -5.717 228 HG SER 38 HG SER 38 -6.264 5.449 -7.121 229 H TYR 39 H TYR 39 -2.817 6.163 -4.099 230 HA TYR 39 HA TYR 39 -3.157 7.335 -2.211 231 HB2 TYR 39 2HB TYR 39 -5.543 8.414 -3.730 232 HB3 TYR 39 1HB TYR 39 -5.119 8.976 -2.122 233 HD1 TYR 39 2HD TYR 39 -3.551 8.525 -5.503 234 HD2 TYR 39 1HD TYR 39 -3.785 10.862 -1.966 235 HE1 TYR 39 2HE TYR 39 -2.014 10.165 -6.489 236 HE2 TYR 39 1HE TYR 39 -2.250 12.506 -2.948 237 HH TYR 39 HH TYR 39 -0.524 12.626 -4.690 238 H ASN 40 H ASN 40 -4.308 4.644 -2.548 239 HA ASN 40 HA ASN 40 -6.521 4.754 -0.614 240 HB2 ASN 40 2HB ASN 40 -5.761 2.658 -2.637 241 HB3 ASN 40 1HB ASN 40 -6.808 2.276 -1.280 242 HD21 ASN 40 1HD2 ASN 40 -6.560 3.970 -4.330 243 HD22 ASN 40 2HD2 ASN 40 -8.234 4.352 -4.413 244 H SER 41 H SER 41 -6.574 3.307 1.179 245 HA SER 41 HA SER 41 -3.988 2.868 2.330 246 HB2 SER 41 2HB SER 41 -5.397 2.226 4.309 247 HB3 SER 41 1HB SER 41 -5.703 3.852 3.700 248 HG SER 41 HG SER 41 -7.588 2.530 4.157 249 H CYS 42 H CYS 42 -3.376 0.791 3.258 250 HA CYS 42 HA CYS 42 -4.135 -1.373 1.459 251 HB2 CYS 42 2HB CYS 42 -1.723 -0.938 3.162 252 HB3 CYS 42 1HB CYS 42 -2.108 -2.539 2.536 253 H ALA 43 H ALA 43 -5.497 -0.483 4.083 254 HA ALA 43 HA ALA 43 -5.576 -2.866 5.639 255 HB1 ALA 43 1HB ALA 43 -6.385 -0.698 6.521 256 HB2 ALA 43 2HB ALA 43 -7.648 -1.926 6.586 257 HB3 ALA 43 3HB ALA 43 -7.678 -0.703 5.319 258 H GLY 44 H GLY 44 -6.188 -4.748 4.784 259 HA2 GLY 44 2HA GLY 44 -8.021 -6.109 3.949 260 HA3 GLY 44 1HA GLY 44 -8.487 -4.741 2.948 261 H CYS 45 H CYS 45 -5.162 -5.076 2.990 262 HA CYS 45 HA CYS 45 -5.206 -6.399 0.380 263 HB2 CYS 45 2HB CYS 45 -3.003 -4.908 1.801 264 HB3 CYS 45 1HB CYS 45 -2.842 -5.674 0.226 265 H HIS 46 H HIS 46 -3.073 -7.722 0.066 266 HA HIS 46 HA HIS 46 -2.875 -9.566 2.333 267 HB2 HIS 46 2HB HIS 46 -3.633 -10.242 -0.086 268 HB3 HIS 46 1HB HIS 46 -1.919 -10.105 -0.461 269 HD1 HIS 46 1HD HIS 46 -0.455 -11.569 1.526 270 HD2 HIS 46 2HD HIS 46 -4.268 -12.737 0.462 271 HE1 HIS 46 1HE HIS 46 -0.629 -13.981 2.217 272 HE2 HIS 46 2HE HIS 46 -3.059 -14.500 1.906 273 H CYS 47 H CYS 47 -1.559 -6.961 1.834 274 HA CYS 47 HA CYS 47 1.151 -7.582 1.202 275 HB2 CYS 47 2HB CYS 47 1.599 -5.165 1.724 276 HB3 CYS 47 1HB CYS 47 0.432 -5.445 0.441 277 H VAL 48 H VAL 48 2.862 -7.590 2.462 278 HA VAL 48 HA VAL 48 2.381 -7.935 5.352 279 HB VAL 48 HB VAL 48 4.445 -9.376 3.651 280 HG11 VAL 48 1HG1 VAL 48 3.665 -9.801 6.530 281 HG12 VAL 48 2HG1 VAL 48 5.167 -9.081 5.948 282 HG13 VAL 48 3HG1 VAL 48 4.822 -10.777 5.621 283 HG21 VAL 48 3HG2 VAL 48 2.225 -10.189 3.078 284 HG22 VAL 48 1HG2 VAL 48 1.857 -10.433 4.786 285 HG23 VAL 48 2HG2 VAL 48 3.096 -11.413 4.000 286 H GLY 49 H GLY 49 3.418 -6.453 6.498 287 HA2 GLY 49 2HA GLY 49 5.083 -5.014 7.198 288 HA3 GLY 49 1HA GLY 49 6.113 -5.626 5.901 289 H CYS 50 H CYS 50 2.926 -4.354 5.661 290 HA CYS 50 HA CYS 50 3.509 -2.707 3.449 291 HB2 CYS 50 2HB CYS 50 1.340 -3.539 3.531 292 HB3 CYS 50 1HB CYS 50 1.144 -3.104 5.227 293 H LYS 51 H LYS 51 4.808 -1.026 3.745 294 HA LYS 51 HA LYS 51 4.098 0.841 5.876 295 HB2 LYS 51 2HB LYS 51 6.320 1.115 3.825 296 HB3 LYS 51 1HB LYS 51 6.134 2.026 5.317 297 HG2 LYS 51 2HG LYS 51 6.795 -0.903 5.086 298 HG3 LYS 51 1HG LYS 51 7.907 0.392 5.526 299 HD2 LYS 51 2HD LYS 51 6.645 0.829 7.544 300 HD3 LYS 51 1HD LYS 51 5.435 -0.365 7.072 301 HE2 LYS 51 2HE LYS 51 7.160 -2.114 7.157 302 HE3 LYS 51 1HE LYS 51 8.334 -0.911 7.688 303 HZ1 LYS 51 3HZ LYS 51 7.047 -0.544 9.662 304 HZ2 LYS 51 1HZ LYS 51 7.388 -2.191 9.510 305 HZ3 LYS 51 2HZ LYS 51 5.851 -1.615 9.136 306 H ASN 52 H ASN 52 2.160 1.576 5.062 307 HA ASN 52 HA ASN 52 2.274 2.942 2.478 308 HB2 ASN 52 2HB ASN 52 0.542 1.113 2.760 309 HB3 ASN 52 1HB ASN 52 -0.203 2.098 4.009 310 HD21 ASN 52 1HD2 ASN 52 -1.418 1.216 1.607 311 HD22 ASN 52 2HD2 ASN 52 -1.864 2.620 0.700 312 HA PRO 53 HA PRO 53 2.254 6.541 5.247 313 HB2 PRO 53 2HB PRO 53 2.089 7.991 2.685 314 HB3 PRO 53 1HB PRO 53 3.276 8.149 3.981 315 HG2 PRO 53 2HG PRO 53 3.914 6.993 1.663 316 HG3 PRO 53 1HG PRO 53 4.546 6.377 3.202 317 HD2 PRO 53 2HD PRO 53 2.323 5.309 1.505 318 HD3 PRO 53 1HD PRO 53 3.607 4.446 2.380 319 H HIS 54 H HIS 54 -0.060 5.529 2.938 320 HA HIS 54 HA HIS 54 -1.810 7.745 3.379 321 HB2 HIS 54 2HB HIS 54 -2.092 5.273 1.753 322 HB3 HIS 54 1HB HIS 54 -3.506 6.267 2.113 323 HD1 HIS 54 1HD HIS 54 -3.495 8.655 1.240 324 HD2 HIS 54 2HD HIS 54 -0.379 6.313 -0.153 325 HE1 HIS 54 1HE HIS 54 -2.492 9.946 -0.684 326 HE2 HIS 54 2HE HIS 54 -0.405 8.691 -1.188 327 H LYS 55 H LYS 55 -2.251 7.898 5.330 328 HA LYS 55 HA LYS 55 -4.321 6.136 6.258 329 HB2 LYS 55 2HB LYS 55 -2.021 5.661 7.395 330 HB3 LYS 55 1HB LYS 55 -2.244 7.214 8.171 331 HG2 LYS 55 2HG LYS 55 -4.222 4.959 8.395 332 HG3 LYS 55 1HG LYS 55 -2.883 5.172 9.518 333 HD2 LYS 55 2HD LYS 55 -3.827 7.417 10.102 334 HD3 LYS 55 1HD LYS 55 -5.194 7.080 9.042 335 HE2 LYS 55 2HE LYS 55 -5.879 5.229 10.401 336 HE3 LYS 55 1HE LYS 55 -4.412 5.330 11.369 337 HZ1 LYS 55 3HZ LYS 55 -6.276 6.260 12.540 338 HZ2 LYS 55 1HZ LYS 55 -6.601 7.399 11.346 339 HZ3 LYS 55 2HZ LYS 55 -5.162 7.460 12.217 340 H GLU 56 H GLU 56 -5.167 7.999 5.036 341 HA GLU 56 HA GLU 56 -5.337 10.533 6.265 342 HB2 GLU 56 2HB GLU 56 -7.096 9.054 4.287 343 HB3 GLU 56 1HB GLU 56 -7.460 10.675 4.842 344 HG2 GLU 56 2HG GLU 56 -6.422 10.733 2.653 345 HG3 GLU 56 1HG GLU 56 -5.373 11.487 3.841 346 H ASP 57 H ASP 57 -6.714 11.112 7.937 347 HA ASP 57 HA ASP 57 -7.901 8.760 9.141 348 HB2 ASP 57 2HB ASP 57 -6.399 10.340 10.473 349 HB3 ASP 57 1HB ASP 57 -7.829 11.397 10.387 350 H TYR 58 H TYR 58 -9.444 8.622 7.792 351 HA TYR 58 HA TYR 58 -11.689 10.414 8.234 352 HB2 TYR 58 2HB TYR 58 -12.791 9.320 6.277 353 HB3 TYR 58 1HB TYR 58 -11.283 10.105 5.847 354 HD1 TYR 58 1HD TYR 58 -9.245 8.617 5.485 355 HD2 TYR 58 2HD TYR 58 -13.176 7.038 5.789 356 HE1 TYR 58 1HE TYR 58 -8.496 6.555 4.386 357 HE2 TYR 58 2HE TYR 58 -12.438 4.969 4.699 358 HH TYR 58 HH TYR 58 -9.267 4.134 4.400 359 H VAL 59 H VAL 59 -13.463 9.685 9.241 360 HA VAL 59 HA VAL 59 -13.099 7.143 10.609 361 HB VAL 59 HB VAL 59 -15.099 9.337 11.230 362 HG11 VAL 59 1HG1 VAL 59 -15.338 8.204 13.385 363 HG12 VAL 59 2HG1 VAL 59 -14.235 6.940 12.839 364 HG13 VAL 59 3HG1 VAL 59 -15.793 7.154 12.043 365 HG21 VAL 59 3HG2 VAL 59 -12.442 8.746 12.530 366 HG22 VAL 59 1HG2 VAL 59 -13.623 9.929 13.092 367 HG23 VAL 59 2HG2 VAL 59 -12.827 10.155 11.537 Start of MODEL 15 1 H1 SER 8 1HT SER 8 -17.426 -5.391 -10.253 2 H2 SER 8 2HT SER 8 -17.995 -3.859 -10.693 3 H3 SER 8 3HT SER 8 -19.069 -5.031 -10.132 4 HA SER 8 HA SER 8 -18.650 -3.435 -8.433 5 HB2 SER 8 2HB SER 8 -17.363 -6.115 -7.884 6 HB3 SER 8 1HB SER 8 -18.154 -5.058 -6.714 7 HG SER 8 HG SER 8 -20.104 -5.346 -7.974 8 HA PRO 9 HA PRO 9 -14.328 -2.133 -9.056 9 HB2 PRO 9 2HB PRO 9 -15.135 0.403 -7.883 10 HB3 PRO 9 1HB PRO 9 -14.607 0.079 -9.535 11 HG2 PRO 9 2HG PRO 9 -17.152 0.775 -8.898 12 HG3 PRO 9 1HG PRO 9 -16.747 -0.240 -10.292 13 HD2 PRO 9 2HD PRO 9 -17.765 -1.042 -7.592 14 HD3 PRO 9 1HD PRO 9 -18.224 -1.648 -9.198 15 HA PRO 10 HA PRO 10 -13.539 -2.588 -4.666 16 HB2 PRO 10 2HB PRO 10 -11.244 -3.948 -4.881 17 HB3 PRO 10 1HB PRO 10 -12.802 -4.732 -5.164 18 HG2 PRO 10 2HG PRO 10 -10.738 -3.872 -7.112 19 HG3 PRO 10 1HG PRO 10 -11.895 -5.211 -7.213 20 HD2 PRO 10 2HD PRO 10 -12.135 -2.652 -8.422 21 HD3 PRO 10 1HD PRO 10 -13.378 -3.917 -8.333 22 H LYS 11 H LYS 11 -11.984 -1.599 -3.311 23 HA LYS 11 HA LYS 11 -10.441 0.443 -4.592 24 HB2 LYS 11 2HB LYS 11 -9.608 0.957 -2.244 25 HB3 LYS 11 1HB LYS 11 -11.329 1.144 -2.495 26 HG2 LYS 11 2HG LYS 11 -11.773 -0.928 -1.345 27 HG3 LYS 11 1HG LYS 11 -10.048 -1.258 -1.197 28 HD2 LYS 11 2HD LYS 11 -11.298 1.236 -0.056 29 HD3 LYS 11 1HD LYS 11 -11.231 -0.273 0.849 30 HE2 LYS 11 2HE LYS 11 -8.765 0.977 -0.353 31 HE3 LYS 11 1HE LYS 11 -9.352 1.411 1.251 32 HZ1 LYS 11 3HZ LYS 11 -8.877 -1.399 0.510 33 HZ2 LYS 11 1HZ LYS 11 -9.003 -0.744 2.035 34 HZ3 LYS 11 2HZ LYS 11 -7.609 -0.472 1.094 35 HA PRO 12 HA PRO 12 -7.024 -1.914 -5.745 36 HB2 PRO 12 2HB PRO 12 -5.045 -0.062 -4.942 37 HB3 PRO 12 1HB PRO 12 -5.718 -0.342 -6.551 38 HG2 PRO 12 2HG PRO 12 -6.355 1.766 -4.575 39 HG3 PRO 12 1HG PRO 12 -6.586 1.775 -6.324 40 HD2 PRO 12 2HD PRO 12 -8.622 1.547 -4.550 41 HD3 PRO 12 1HD PRO 12 -8.677 0.851 -6.178 42 H LYS 13 H LYS 13 -5.921 -3.378 -4.927 43 HA LYS 13 HA LYS 13 -4.962 -3.223 -2.188 44 HB2 LYS 13 2HB LYS 13 -5.800 -5.505 -1.739 45 HB3 LYS 13 1HB LYS 13 -7.096 -4.350 -1.995 46 HG2 LYS 13 2HG LYS 13 -7.193 -5.219 -4.380 47 HG3 LYS 13 1HG LYS 13 -6.145 -6.527 -3.830 48 HD2 LYS 13 2HD LYS 13 -8.869 -5.825 -2.727 49 HD3 LYS 13 1HD LYS 13 -8.484 -7.206 -3.745 50 HE2 LYS 13 2HE LYS 13 -7.058 -8.133 -1.979 51 HE3 LYS 13 1HE LYS 13 -7.348 -6.710 -0.991 52 HZ1 LYS 13 3HZ LYS 13 -8.754 -8.519 -0.282 53 HZ2 LYS 13 1HZ LYS 13 -9.431 -8.656 -1.830 54 HZ3 LYS 13 2HZ LYS 13 -9.682 -7.276 -0.921 55 H CYS 14 H CYS 14 -3.300 -4.751 -1.724 56 HA CYS 14 HA CYS 14 -1.918 -5.668 -4.134 57 HB2 CYS 14 2HB CYS 14 0.173 -4.723 -3.242 58 HB3 CYS 14 1HB CYS 14 -1.032 -3.481 -3.582 59 H ARG 15 H ARG 15 0.075 -6.871 -3.426 60 HA ARG 15 HA ARG 15 -0.299 -8.448 -0.985 61 HB2 ARG 15 2HB ARG 15 0.298 -10.465 -2.366 62 HB3 ARG 15 1HB ARG 15 -1.287 -9.780 -2.718 63 HG2 ARG 15 2HG ARG 15 -0.360 -8.661 -4.668 64 HG3 ARG 15 1HG ARG 15 1.219 -9.376 -4.325 65 HD2 ARG 15 2HD ARG 15 0.321 -11.579 -4.636 66 HD3 ARG 15 1HD ARG 15 -1.305 -10.918 -4.844 67 HE ARG 15 HE ARG 15 0.397 -9.733 -6.707 68 HH11 ARG 15 1HH1 ARG 15 -1.010 -12.899 -6.042 69 HH12 ARG 15 2HH1 ARG 15 -1.073 -13.374 -7.673 70 HH21 ARG 15 1HH2 ARG 15 0.275 -10.331 -8.914 71 HH22 ARG 15 2HH2 ARG 15 -0.319 -11.862 -9.375 72 H CYS 16 H CYS 16 1.403 -6.300 -1.463 73 HA CYS 16 HA CYS 16 4.002 -6.918 -2.321 74 HB2 CYS 16 2HB CYS 16 3.170 -4.906 -0.222 75 HB3 CYS 16 1HB CYS 16 4.693 -4.938 -1.103 76 H GLY 17 H GLY 17 5.838 -7.521 -1.208 77 HA2 GLY 17 2HA GLY 17 7.093 -8.094 0.696 78 HA3 GLY 17 1HA GLY 17 5.602 -8.223 1.617 79 H ILE 18 H ILE 18 4.531 -9.825 -0.756 80 HA ILE 18 HA ILE 18 5.230 -12.360 0.365 81 HB ILE 18 HB ILE 18 3.437 -11.725 -1.991 82 HG12 ILE 18 2HG1 ILE 18 2.853 -12.235 0.928 83 HG13 ILE 18 1HG1 ILE 18 2.569 -10.758 0.028 84 HG21 ILE 18 1HG2 ILE 18 2.543 -13.996 -1.724 85 HG22 ILE 18 2HG2 ILE 18 3.725 -14.311 -0.458 86 HG23 ILE 18 3HG2 ILE 18 4.266 -14.027 -2.111 87 HD11 ILE 18 3HD1 ILE 18 1.110 -13.372 -0.283 88 HD12 ILE 18 1HD1 ILE 18 0.898 -11.987 -1.355 89 HD13 ILE 18 2HD1 ILE 18 0.479 -11.852 0.348 90 H SER 19 H SER 19 5.652 -10.865 -2.851 91 HA SER 19 HA SER 19 7.697 -12.887 -3.368 92 HB2 SER 19 2HB SER 19 5.719 -11.876 -5.417 93 HB3 SER 19 1HB SER 19 6.933 -13.134 -5.646 94 HG SER 19 HG SER 19 5.797 -14.238 -3.865 95 H GLY 20 H GLY 20 9.093 -11.140 -2.609 96 HA2 GLY 20 2HA GLY 20 10.864 -9.804 -3.175 97 HA3 GLY 20 1HA GLY 20 10.306 -9.827 -4.834 98 H SER 21 H SER 21 8.162 -8.564 -5.040 99 HA SER 21 HA SER 21 7.169 -6.567 -5.249 100 HB2 SER 21 2HB SER 21 8.282 -6.009 -2.474 101 HB3 SER 21 1HB SER 21 7.005 -5.085 -3.273 102 HG SER 21 HG SER 21 6.025 -7.304 -3.485 103 H SER 22 H SER 22 7.751 -3.980 -5.054 104 HA SER 22 HA SER 22 10.001 -3.711 -6.750 105 HB2 SER 22 2HB SER 22 8.340 -1.613 -5.354 106 HB3 SER 22 1HB SER 22 9.371 -1.378 -6.772 107 HG SER 22 HG SER 22 8.049 -3.070 -7.752 108 H ASN 23 H ASN 23 9.276 -3.031 -3.420 109 HA ASN 23 HA ASN 23 12.059 -3.124 -2.752 110 HB2 ASN 23 2HB ASN 23 11.547 -0.678 -3.133 111 HB3 ASN 23 1HB ASN 23 10.284 -0.794 -1.916 112 HD21 ASN 23 1HD2 ASN 23 12.677 0.870 -2.004 113 HD22 ASN 23 2HD2 ASN 23 13.593 0.496 -0.585 114 H THR 24 H THR 24 12.162 -4.341 -0.927 115 HA THR 24 HA THR 24 9.724 -5.424 0.062 116 HB THR 24 HB THR 24 12.556 -5.888 1.032 117 HG1 THR 24 1HG THR 24 11.012 -6.935 -1.114 118 HG21 THR 24 3HG2 THR 24 10.064 -7.613 1.216 119 HG22 THR 24 1HG2 THR 24 10.792 -6.736 2.556 120 HG23 THR 24 2HG2 THR 24 11.673 -8.057 1.801 121 H LEU 25 H LEU 25 11.893 -2.912 1.148 122 HA LEU 25 HA LEU 25 10.778 -2.899 3.832 123 HB2 LEU 25 2HB LEU 25 12.602 -0.896 2.491 124 HB3 LEU 25 1HB LEU 25 12.098 -0.830 4.158 125 HG LEU 25 HG LEU 25 13.332 -3.046 4.458 126 HD11 LEU 25 1HD1 LEU 25 14.530 -2.217 1.825 127 HD12 LEU 25 2HD1 LEU 25 13.558 -3.660 2.113 128 HD13 LEU 25 3HD1 LEU 25 15.139 -3.489 2.882 129 HD21 LEU 25 3HD2 LEU 25 14.865 -0.557 3.749 130 HD22 LEU 25 1HD2 LEU 25 15.464 -1.898 4.722 131 HD23 LEU 25 2HD2 LEU 25 14.125 -0.914 5.307 132 H THR 26 H THR 26 10.666 -1.086 0.904 133 HA THR 26 HA THR 26 8.712 0.836 1.969 134 HB THR 26 HB THR 26 10.461 1.022 -0.514 135 HG1 THR 26 1HG THR 26 12.005 1.952 0.790 136 HG21 THR 26 3HG2 THR 26 8.572 2.638 -0.365 137 HG22 THR 26 1HG2 THR 26 10.138 3.438 -0.245 138 HG23 THR 26 2HG2 THR 26 9.192 3.164 1.209 139 H THR 27 H THR 27 7.759 -1.643 1.390 140 HA THR 27 HA THR 27 7.136 -2.547 -1.094 141 HB THR 27 HB THR 27 5.076 -3.358 0.176 142 HG1 THR 27 1HG THR 27 6.088 -3.071 2.627 143 HG21 THR 27 3HG2 THR 27 7.845 -4.053 1.206 144 HG22 THR 27 1HG2 THR 27 7.063 -4.763 -0.211 145 HG23 THR 27 2HG2 THR 27 6.391 -5.037 1.390 146 H CYS 28 H CYS 28 4.925 -0.948 1.003 147 HA CYS 28 HA CYS 28 3.167 -0.289 -1.166 148 HB2 CYS 28 2HB CYS 28 2.809 -0.162 1.798 149 HB3 CYS 28 1HB CYS 28 1.531 0.162 0.612 150 H ARG 29 H ARG 29 5.637 1.270 0.170 151 HA ARG 29 HA ARG 29 4.333 3.879 0.194 152 HB2 ARG 29 2HB ARG 29 5.683 3.332 2.151 153 HB3 ARG 29 1HB ARG 29 7.092 3.069 1.142 154 HG2 ARG 29 2HG ARG 29 7.030 5.478 0.528 155 HG3 ARG 29 1HG ARG 29 5.670 5.675 1.613 156 HD2 ARG 29 2HD ARG 29 6.961 5.117 3.516 157 HD3 ARG 29 1HD ARG 29 8.326 4.597 2.528 158 HE ARG 29 HE ARG 29 8.069 7.128 1.781 159 HH11 ARG 29 1HH1 ARG 29 8.096 5.735 5.034 160 HH12 ARG 29 2HH1 ARG 29 8.900 7.046 5.754 161 HH21 ARG 29 1HH2 ARG 29 9.245 8.935 2.780 162 HH22 ARG 29 2HH2 ARG 29 9.588 8.873 4.448 163 H ASN 30 H ASN 30 5.852 2.025 -2.022 164 HA ASN 30 HA ASN 30 7.017 4.379 -3.322 165 HB2 ASN 30 2HB ASN 30 8.428 3.004 -4.670 166 HB3 ASN 30 1HB ASN 30 8.523 2.325 -3.055 167 HD21 ASN 30 1HD2 ASN 30 7.658 0.288 -2.677 168 HD22 ASN 30 2HD2 ASN 30 7.162 -0.733 -3.977 169 H SER 31 H SER 31 6.694 4.538 -5.686 170 HA SER 31 HA SER 31 3.932 4.712 -6.106 171 HB2 SER 31 2HB SER 31 6.189 5.158 -8.037 172 HB3 SER 31 1HB SER 31 4.521 5.705 -8.234 173 HG SER 31 HG SER 31 4.763 7.150 -6.759 174 H ARG 32 H ARG 32 5.831 1.945 -6.595 175 HA ARG 32 HA ARG 32 4.280 1.156 -8.907 176 HB2 ARG 32 2HB ARG 32 6.390 -0.390 -7.397 177 HB3 ARG 32 1HB ARG 32 5.606 -0.918 -8.878 178 HG2 ARG 32 2HG ARG 32 6.574 0.977 -10.075 179 HG3 ARG 32 1HG ARG 32 7.326 1.524 -8.576 180 HD2 ARG 32 2HD ARG 32 8.518 -0.653 -8.467 181 HD3 ARG 32 1HD ARG 32 7.874 -1.038 -10.063 182 HE ARG 32 HE ARG 32 9.011 1.193 -10.653 183 HH11 ARG 32 1HH1 ARG 32 10.304 -1.418 -8.650 184 HH12 ARG 32 2HH1 ARG 32 11.930 -0.918 -8.746 185 HH21 ARG 32 1HH2 ARG 32 11.294 1.845 -10.876 186 HH22 ARG 32 2HH2 ARG 32 12.488 0.960 -10.055 187 H CYS 33 H CYS 33 3.835 1.196 -5.642 188 HA CYS 33 HA CYS 33 2.317 -1.250 -5.504 189 HB2 CYS 33 2HB CYS 33 3.457 -0.410 -3.476 190 HB3 CYS 33 1HB CYS 33 2.508 1.069 -3.549 191 HA PRO 34 HA PRO 34 -1.141 0.615 -7.581 192 HB2 PRO 34 2HB PRO 34 -3.070 -1.133 -6.613 193 HB3 PRO 34 1HB PRO 34 -2.063 -1.420 -8.033 194 HG2 PRO 34 2HG PRO 34 -1.736 -2.413 -5.245 195 HG3 PRO 34 1HG PRO 34 -1.431 -3.251 -6.773 196 HD2 PRO 34 2HD PRO 34 0.561 -2.275 -5.290 197 HD3 PRO 34 1HD PRO 34 0.627 -2.223 -7.067 198 H CYS 35 H CYS 35 -1.310 -0.194 -4.198 199 HA CYS 35 HA CYS 35 -3.603 1.317 -3.549 200 HB2 CYS 35 2HB CYS 35 -1.273 0.469 -1.871 201 HB3 CYS 35 1HB CYS 35 -2.744 1.186 -1.226 202 H TYR 36 H TYR 36 -0.203 2.012 -3.062 203 HA TYR 36 HA TYR 36 -0.413 4.609 -2.108 204 HB2 TYR 36 2HB TYR 36 1.630 3.266 -2.013 205 HB3 TYR 36 1HB TYR 36 1.767 3.348 -3.764 206 HD1 TYR 36 2HD TYR 36 2.538 5.368 -4.846 207 HD2 TYR 36 1HD TYR 36 2.184 5.176 -0.625 208 HE1 TYR 36 2HE TYR 36 3.905 7.372 -4.672 209 HE2 TYR 36 1HE TYR 36 3.564 7.197 -0.410 210 HH TYR 36 HH TYR 36 4.208 9.220 -2.966 211 H LYS 37 H LYS 37 0.060 3.468 -5.433 212 HA LYS 37 HA LYS 37 0.192 6.086 -6.521 213 HB2 LYS 37 2HB LYS 37 1.017 3.690 -7.382 214 HB3 LYS 37 1HB LYS 37 -0.514 3.740 -8.232 215 HG2 LYS 37 2HG LYS 37 1.598 5.878 -8.437 216 HG3 LYS 37 1HG LYS 37 1.485 4.516 -9.542 217 HD2 LYS 37 2HD LYS 37 -0.748 5.256 -10.234 218 HD3 LYS 37 1HD LYS 37 -0.659 6.596 -9.092 219 HE2 LYS 37 2HE LYS 37 -0.155 7.351 -11.355 220 HE3 LYS 37 1HE LYS 37 1.260 7.506 -10.321 221 HZ1 LYS 37 3HZ LYS 37 2.182 5.537 -11.308 222 HZ2 LYS 37 1HZ LYS 37 1.773 6.632 -12.507 223 HZ3 LYS 37 2HZ LYS 37 0.800 5.285 -12.256 224 H SER 38 H SER 38 -2.463 3.845 -5.914 225 HA SER 38 HA SER 38 -4.269 5.702 -7.245 226 HB2 SER 38 2HB SER 38 -4.738 2.879 -6.290 227 HB3 SER 38 1HB SER 38 -5.942 3.886 -7.100 228 HG SER 38 HG SER 38 -4.264 4.060 -8.807 229 H TYR 39 H TYR 39 -2.969 5.955 -4.540 230 HA TYR 39 HA TYR 39 -3.429 7.240 -2.714 231 HB2 TYR 39 2HB TYR 39 -6.097 7.736 -4.031 232 HB3 TYR 39 1HB TYR 39 -5.357 8.729 -2.787 233 HD1 TYR 39 2HD TYR 39 -2.945 9.663 -3.429 234 HD2 TYR 39 1HD TYR 39 -5.847 8.330 -6.234 235 HE1 TYR 39 2HE TYR 39 -1.827 10.947 -5.191 236 HE2 TYR 39 1HE TYR 39 -4.734 9.609 -8.000 237 HH TYR 39 HH TYR 39 -3.285 11.567 -8.157 238 H ASN 40 H ASN 40 -4.102 4.413 -2.520 239 HA ASN 40 HA ASN 40 -6.279 4.567 -0.549 240 HB2 ASN 40 2HB ASN 40 -5.754 2.535 -2.645 241 HB3 ASN 40 1HB ASN 40 -6.443 1.997 -1.117 242 HD21 ASN 40 1HD2 ASN 40 -6.954 4.071 -3.916 243 HD22 ASN 40 2HD2 ASN 40 -8.652 4.159 -3.723 244 H SER 41 H SER 41 -6.187 3.313 1.329 245 HA SER 41 HA SER 41 -3.670 2.803 2.405 246 HB2 SER 41 2HB SER 41 -6.337 1.958 3.396 247 HB3 SER 41 1HB SER 41 -4.932 2.542 4.268 248 HG SER 41 HG SER 41 -5.292 4.560 3.718 249 H CYS 42 H CYS 42 -3.664 0.583 3.680 250 HA CYS 42 HA CYS 42 -4.136 -1.479 1.669 251 HB2 CYS 42 2HB CYS 42 -1.923 -1.218 3.656 252 HB3 CYS 42 1HB CYS 42 -2.288 -2.747 2.857 253 H ALA 43 H ALA 43 -5.801 -0.517 4.002 254 HA ALA 43 HA ALA 43 -6.228 -2.772 5.599 255 HB1 ALA 43 1HB ALA 43 -8.436 -1.809 6.032 256 HB2 ALA 43 2HB ALA 43 -8.216 -0.693 4.683 257 HB3 ALA 43 3HB ALA 43 -7.184 -0.569 6.111 258 H GLY 44 H GLY 44 -6.526 -4.701 4.768 259 HA2 GLY 44 2HA GLY 44 -8.108 -6.246 3.833 260 HA3 GLY 44 1HA GLY 44 -8.577 -4.997 2.688 261 H CYS 45 H CYS 45 -5.215 -5.212 3.168 262 HA CYS 45 HA CYS 45 -4.956 -6.475 0.534 263 HB2 CYS 45 2HB CYS 45 -2.979 -4.864 2.140 264 HB3 CYS 45 1HB CYS 45 -2.644 -5.595 0.577 265 H HIS 46 H HIS 46 -2.820 -7.703 0.277 266 HA HIS 46 HA HIS 46 -2.599 -9.682 2.460 267 HB2 HIS 46 2HB HIS 46 -2.067 -9.873 -0.507 268 HB3 HIS 46 1HB HIS 46 -1.496 -11.092 0.612 269 HD1 HIS 46 1HD HIS 46 -3.236 -12.757 1.486 270 HD2 HIS 46 2HD HIS 46 -4.825 -9.858 -1.020 271 HE1 HIS 46 1HE HIS 46 -5.516 -13.572 0.885 272 HE2 HIS 46 2HE HIS 46 -6.228 -12.025 -0.933 273 H CYS 47 H CYS 47 -1.246 -6.999 1.901 274 HA CYS 47 HA CYS 47 1.467 -7.699 1.326 275 HB2 CYS 47 2HB CYS 47 1.950 -5.314 1.804 276 HB3 CYS 47 1HB CYS 47 0.808 -5.588 0.502 277 H VAL 48 H VAL 48 3.071 -7.891 2.584 278 HA VAL 48 HA VAL 48 2.709 -7.637 5.495 279 HB VAL 48 HB VAL 48 4.490 -9.657 4.068 280 HG11 VAL 48 1HG1 VAL 48 3.770 -9.380 6.982 281 HG12 VAL 48 2HG1 VAL 48 5.336 -9.023 6.253 282 HG13 VAL 48 3HG1 VAL 48 4.733 -10.682 6.287 283 HG21 VAL 48 3HG2 VAL 48 1.834 -10.138 5.435 284 HG22 VAL 48 1HG2 VAL 48 2.916 -11.391 4.824 285 HG23 VAL 48 2HG2 VAL 48 2.159 -10.256 3.707 286 H GLY 49 H GLY 49 4.238 -6.368 6.442 287 HA2 GLY 49 2HA GLY 49 6.228 -5.184 6.642 288 HA3 GLY 49 1HA GLY 49 6.726 -5.797 5.067 289 H CYS 50 H CYS 50 3.642 -4.388 5.648 290 HA CYS 50 HA CYS 50 3.858 -2.645 3.433 291 HB2 CYS 50 2HB CYS 50 1.797 -3.662 3.657 292 HB3 CYS 50 1HB CYS 50 1.726 -3.387 5.388 293 H LYS 51 H LYS 51 4.932 -0.803 3.631 294 HA LYS 51 HA LYS 51 4.282 0.908 5.946 295 HB2 LYS 51 2HB LYS 51 6.185 1.550 3.683 296 HB3 LYS 51 1HB LYS 51 6.063 2.359 5.228 297 HG2 LYS 51 2HG LYS 51 7.160 -0.391 4.726 298 HG3 LYS 51 1HG LYS 51 8.097 1.065 5.003 299 HD2 LYS 51 2HD LYS 51 7.003 1.213 7.257 300 HD3 LYS 51 1HD LYS 51 6.306 -0.381 6.937 301 HE2 LYS 51 2HE LYS 51 9.231 0.329 7.033 302 HE3 LYS 51 1HE LYS 51 8.352 -0.648 8.204 303 HZ1 LYS 51 3HZ LYS 51 7.979 -2.296 6.473 304 HZ2 LYS 51 1HZ LYS 51 9.618 -2.036 6.700 305 HZ3 LYS 51 2HZ LYS 51 8.855 -1.386 5.351 306 H ASN 52 H ASN 52 2.141 1.433 5.177 307 HA ASN 52 HA ASN 52 2.203 2.859 2.617 308 HB2 ASN 52 2HB ASN 52 0.537 0.947 2.873 309 HB3 ASN 52 1HB ASN 52 -0.284 1.940 4.070 310 HD21 ASN 52 1HD2 ASN 52 -1.354 0.997 1.638 311 HD22 ASN 52 2HD2 ASN 52 -1.794 2.385 0.701 312 HA PRO 53 HA PRO 53 1.989 6.443 5.374 313 HB2 PRO 53 2HB PRO 53 1.971 7.879 2.790 314 HB3 PRO 53 1HB PRO 53 3.061 8.063 4.164 315 HG2 PRO 53 2HG PRO 53 3.873 6.902 1.907 316 HG3 PRO 53 1HG PRO 53 4.422 6.320 3.490 317 HD2 PRO 53 2HD PRO 53 2.366 5.183 1.651 318 HD3 PRO 53 1HD PRO 53 3.585 4.361 2.641 319 H HIS 54 H HIS 54 -0.165 5.332 2.992 320 HA HIS 54 HA HIS 54 -2.116 7.412 3.529 321 HB2 HIS 54 2HB HIS 54 -2.356 4.955 1.757 322 HB3 HIS 54 1HB HIS 54 -3.608 6.172 1.956 323 HD1 HIS 54 1HD HIS 54 -3.522 8.138 0.368 324 HD2 HIS 54 2HD HIS 54 0.030 5.971 0.437 325 HE1 HIS 54 1HE HIS 54 -2.129 9.055 -1.487 326 HE2 HIS 54 2HE HIS 54 0.102 8.021 -1.114 327 H LYS 55 H LYS 55 -2.713 7.145 5.565 328 HA LYS 55 HA LYS 55 -3.228 4.550 6.694 329 HB2 LYS 55 2HB LYS 55 -3.938 7.284 7.823 330 HB3 LYS 55 1HB LYS 55 -4.154 5.767 8.654 331 HG2 LYS 55 2HG LYS 55 -2.215 6.805 9.565 332 HG3 LYS 55 1HG LYS 55 -1.668 5.447 8.596 333 HD2 LYS 55 2HD LYS 55 -0.233 7.359 8.229 334 HD3 LYS 55 1HD LYS 55 -1.147 7.023 6.759 335 HE2 LYS 55 2HE LYS 55 -2.759 8.812 7.482 336 HE3 LYS 55 1HE LYS 55 -1.651 9.179 8.798 337 HZ1 LYS 55 3HZ LYS 55 0.048 9.729 7.165 338 HZ2 LYS 55 1HZ LYS 55 -1.362 10.609 6.892 339 HZ3 LYS 55 2HZ LYS 55 -0.987 9.289 5.916 340 H GLU 56 H GLU 56 -5.189 3.684 7.101 341 HA GLU 56 HA GLU 56 -7.198 4.472 5.292 342 HB2 GLU 56 2HB GLU 56 -8.551 2.644 6.690 343 HB3 GLU 56 1HB GLU 56 -7.380 2.206 5.466 344 HG2 GLU 56 2HG GLU 56 -6.732 2.410 8.374 345 HG3 GLU 56 1HG GLU 56 -7.291 0.907 7.627 346 H ASP 57 H ASP 57 -8.536 5.905 5.474 347 HA ASP 57 HA ASP 57 -8.870 7.456 7.838 348 HB2 ASP 57 2HB ASP 57 -10.511 7.552 5.288 349 HB3 ASP 57 1HB ASP 57 -10.539 8.764 6.558 350 H TYR 58 H TYR 58 -10.462 4.897 6.479 351 HA TYR 58 HA TYR 58 -12.735 5.148 8.270 352 HB2 TYR 58 2HB TYR 58 -13.783 3.299 6.994 353 HB3 TYR 58 1HB TYR 58 -13.297 4.594 5.918 354 HD1 TYR 58 1HD TYR 58 -11.089 4.251 4.581 355 HD2 TYR 58 2HD TYR 58 -13.096 1.101 6.622 356 HE1 TYR 58 1HE TYR 58 -9.876 2.597 3.223 357 HE2 TYR 58 2HE TYR 58 -11.896 -0.546 5.274 358 HH TYR 58 HH TYR 58 -10.759 -0.743 3.317 359 H VAL 59 H VAL 59 -12.174 4.534 10.221 360 HA VAL 59 HA VAL 59 -11.049 1.877 10.465 361 HB VAL 59 HB VAL 59 -10.017 2.695 12.710 362 HG11 VAL 59 1HG1 VAL 59 -8.880 3.692 10.095 363 HG12 VAL 59 2HG1 VAL 59 -8.667 2.076 10.767 364 HG13 VAL 59 3HG1 VAL 59 -7.969 3.472 11.590 365 HG21 VAL 59 3HG2 VAL 59 -11.143 4.875 12.781 366 HG22 VAL 59 1HG2 VAL 59 -10.308 5.363 11.309 367 HG23 VAL 59 2HG2 VAL 59 -9.391 5.068 12.790 Start of MODEL 16 1 H1 SER 8 1HT SER 8 -19.266 -0.219 -2.085 2 H2 SER 8 2HT SER 8 -19.882 0.108 -3.630 3 H3 SER 8 3HT SER 8 -19.760 1.339 -2.491 4 HA SER 8 HA SER 8 -18.035 1.519 -4.088 5 HB2 SER 8 2HB SER 8 -17.664 2.240 -1.735 6 HB3 SER 8 1HB SER 8 -17.087 0.624 -1.338 7 HG SER 8 HG SER 8 -15.274 0.971 -2.416 8 HA PRO 9 HA PRO 9 -16.897 -2.536 -5.636 9 HB2 PRO 9 2HB PRO 9 -15.128 -1.632 -7.531 10 HB3 PRO 9 1HB PRO 9 -16.875 -1.663 -7.781 11 HG2 PRO 9 2HG PRO 9 -15.119 0.614 -6.970 12 HG3 PRO 9 1HG PRO 9 -16.458 0.597 -8.132 13 HD2 PRO 9 2HD PRO 9 -16.746 1.560 -5.646 14 HD3 PRO 9 1HD PRO 9 -18.065 0.694 -6.465 15 HA PRO 10 HA PRO 10 -13.270 -3.438 -3.212 16 HB2 PRO 10 2HB PRO 10 -12.551 -5.109 -5.583 17 HB3 PRO 10 1HB PRO 10 -12.548 -5.538 -3.866 18 HG2 PRO 10 2HG PRO 10 -14.512 -6.370 -5.428 19 HG3 PRO 10 1HG PRO 10 -14.856 -5.783 -3.790 20 HD2 PRO 10 2HD PRO 10 -15.322 -4.440 -6.412 21 HD3 PRO 10 1HD PRO 10 -16.267 -4.373 -4.910 22 H LYS 11 H LYS 11 -11.572 -2.265 -3.006 23 HA LYS 11 HA LYS 11 -10.411 -0.724 -5.133 24 HB2 LYS 11 2HB LYS 11 -8.883 0.093 -3.378 25 HB3 LYS 11 1HB LYS 11 -10.553 0.134 -2.829 26 HG2 LYS 11 2HG LYS 11 -10.228 -1.838 -1.500 27 HG3 LYS 11 1HG LYS 11 -8.611 -2.063 -2.152 28 HD2 LYS 11 2HD LYS 11 -8.378 -1.154 0.047 29 HD3 LYS 11 1HD LYS 11 -7.963 0.112 -1.091 30 HE2 LYS 11 2HE LYS 11 -10.684 -0.127 0.203 31 HE3 LYS 11 1HE LYS 11 -9.371 0.793 0.916 32 HZ1 LYS 11 3HZ LYS 11 -9.390 2.222 -1.095 33 HZ2 LYS 11 1HZ LYS 11 -10.842 2.212 -0.264 34 HZ3 LYS 11 2HZ LYS 11 -10.735 1.367 -1.687 35 HA PRO 12 HA PRO 12 -7.246 -3.643 -6.121 36 HB2 PRO 12 2HB PRO 12 -5.086 -1.798 -6.203 37 HB3 PRO 12 1HB PRO 12 -5.919 -2.588 -7.532 38 HG2 PRO 12 2HG PRO 12 -6.092 0.143 -6.982 39 HG3 PRO 12 1HG PRO 12 -7.261 -0.772 -7.940 40 HD2 PRO 12 2HD PRO 12 -7.446 0.156 -5.123 41 HD3 PRO 12 1HD PRO 12 -8.726 -0.121 -6.317 42 H LYS 13 H LYS 13 -6.202 -4.883 -4.943 43 HA LYS 13 HA LYS 13 -5.154 -3.868 -2.418 44 HB2 LYS 13 2HB LYS 13 -5.735 -6.099 -1.415 45 HB3 LYS 13 1HB LYS 13 -7.091 -5.078 -1.853 46 HG2 LYS 13 2HG LYS 13 -7.258 -6.444 -3.989 47 HG3 LYS 13 1HG LYS 13 -6.111 -7.562 -3.252 48 HD2 LYS 13 2HD LYS 13 -8.798 -6.770 -2.110 49 HD3 LYS 13 1HD LYS 13 -8.424 -8.300 -2.901 50 HE2 LYS 13 2HE LYS 13 -6.909 -8.902 -1.150 51 HE3 LYS 13 1HE LYS 13 -7.048 -7.306 -0.413 52 HZ1 LYS 13 3HZ LYS 13 -9.209 -9.336 -0.613 53 HZ2 LYS 13 1HZ LYS 13 -9.381 -7.779 0.017 54 HZ3 LYS 13 2HZ LYS 13 -8.373 -8.865 0.771 55 H CYS 14 H CYS 14 -3.190 -4.025 -2.061 56 HA CYS 14 HA CYS 14 -1.512 -5.243 -4.049 57 HB2 CYS 14 2HB CYS 14 0.322 -4.032 -2.902 58 HB3 CYS 14 1HB CYS 14 -1.020 -3.008 -3.358 59 H ARG 15 H ARG 15 0.360 -6.444 -3.546 60 HA ARG 15 HA ARG 15 -0.014 -8.419 -1.376 61 HB2 ARG 15 2HB ARG 15 0.868 -8.886 -4.241 62 HB3 ARG 15 1HB ARG 15 0.633 -10.122 -3.011 63 HG2 ARG 15 2HG ARG 15 -1.712 -9.760 -2.969 64 HG3 ARG 15 1HG ARG 15 -1.571 -8.320 -3.972 65 HD2 ARG 15 2HD ARG 15 -2.391 -10.157 -5.302 66 HD3 ARG 15 1HD ARG 15 -0.762 -9.733 -5.820 67 HE ARG 15 HE ARG 15 -0.747 -11.797 -3.887 68 HH11 ARG 15 1HH1 ARG 15 -1.362 -11.154 -7.316 69 HH12 ARG 15 2HH1 ARG 15 -0.968 -12.714 -7.845 70 HH21 ARG 15 1HH2 ARG 15 -0.209 -14.010 -4.630 71 HH22 ARG 15 2HH2 ARG 15 -0.326 -14.367 -6.295 72 H CYS 16 H CYS 16 1.571 -6.019 -1.646 73 HA CYS 16 HA CYS 16 4.239 -6.279 -2.372 74 HB2 CYS 16 2HB CYS 16 3.161 -4.633 -0.081 75 HB3 CYS 16 1HB CYS 16 4.637 -4.346 -0.996 76 H GLY 17 H GLY 17 5.861 -7.423 -1.556 77 HA2 GLY 17 2HA GLY 17 7.222 -7.914 0.435 78 HA3 GLY 17 1HA GLY 17 5.708 -8.293 1.263 79 H ILE 18 H ILE 18 4.380 -9.614 -0.603 80 HA ILE 18 HA ILE 18 5.738 -12.171 -0.774 81 HB ILE 18 HB ILE 18 3.024 -11.354 -1.879 82 HG12 ILE 18 2HG1 ILE 18 3.692 -12.527 0.830 83 HG13 ILE 18 1HG1 ILE 18 3.175 -10.881 0.524 84 HG21 ILE 18 1HG2 ILE 18 4.154 -14.069 -1.161 85 HG22 ILE 18 2HG2 ILE 18 3.909 -13.449 -2.791 86 HG23 ILE 18 3HG2 ILE 18 2.519 -13.760 -1.748 87 HD11 ILE 18 3HD1 ILE 18 1.027 -11.663 -0.269 88 HD12 ILE 18 1HD1 ILE 18 1.351 -12.238 1.368 89 HD13 ILE 18 2HD1 ILE 18 1.531 -13.334 -0.007 90 H SER 19 H SER 19 4.378 -9.659 -2.778 91 HA SER 19 HA SER 19 5.878 -10.606 -5.089 92 HB2 SER 19 2HB SER 19 3.331 -10.254 -5.198 93 HB3 SER 19 1HB SER 19 3.655 -8.538 -4.975 94 HG SER 19 HG SER 19 4.480 -10.222 -7.073 95 H GLY 20 H GLY 20 7.416 -9.177 -5.964 96 HA2 GLY 20 2HA GLY 20 8.415 -7.193 -4.114 97 HA3 GLY 20 1HA GLY 20 9.190 -7.723 -5.602 98 H SER 21 H SER 21 9.263 -5.111 -5.054 99 HA SER 21 HA SER 21 7.703 -3.990 -7.182 100 HB2 SER 21 2HB SER 21 6.276 -3.976 -4.994 101 HB3 SER 21 1HB SER 21 7.352 -2.670 -4.491 102 HG SER 21 HG SER 21 6.361 -1.357 -5.856 103 H SER 22 H SER 22 9.646 -3.094 -4.302 104 HA SER 22 HA SER 22 11.620 -1.874 -6.024 105 HB2 SER 22 2HB SER 22 11.642 0.184 -4.523 106 HB3 SER 22 1HB SER 22 10.209 0.044 -5.541 107 HG SER 22 HG SER 22 10.275 0.278 -2.902 108 H ASN 23 H ASN 23 10.892 -1.751 -2.603 109 HA ASN 23 HA ASN 23 13.068 -3.564 -1.943 110 HB2 ASN 23 2HB ASN 23 12.765 -0.753 -0.838 111 HB3 ASN 23 1HB ASN 23 13.775 -1.978 -0.101 112 HD21 ASN 23 1HD2 ASN 23 15.651 -2.641 -1.220 113 HD22 ASN 23 2HD2 ASN 23 16.381 -1.608 -2.390 114 H THR 24 H THR 24 12.840 -4.243 0.313 115 HA THR 24 HA THR 24 10.157 -4.800 0.948 116 HB THR 24 HB THR 24 12.625 -5.127 2.684 117 HG1 THR 24 1HG THR 24 13.175 -6.766 1.420 118 HG21 THR 24 3HG2 THR 24 10.046 -6.718 2.491 119 HG22 THR 24 1HG2 THR 24 10.453 -5.594 3.790 120 HG23 THR 24 2HG2 THR 24 11.395 -7.071 3.568 121 H LEU 25 H LEU 25 12.517 -2.442 1.989 122 HA LEU 25 HA LEU 25 11.160 -1.423 4.261 123 HB2 LEU 25 2HB LEU 25 13.111 -0.039 2.423 124 HB3 LEU 25 1HB LEU 25 12.586 0.580 3.973 125 HG LEU 25 HG LEU 25 14.210 -1.927 3.520 126 HD11 LEU 25 1HD1 LEU 25 14.970 0.739 4.694 127 HD12 LEU 25 2HD1 LEU 25 15.476 0.104 3.128 128 HD13 LEU 25 3HD1 LEU 25 16.000 -0.691 4.613 129 HD21 LEU 25 3HD2 LEU 25 14.435 -1.951 5.960 130 HD22 LEU 25 1HD2 LEU 25 12.765 -2.186 5.446 131 HD23 LEU 25 2HD2 LEU 25 13.284 -0.620 6.072 132 H THR 26 H THR 26 10.709 -0.898 0.855 133 HA THR 26 HA THR 26 8.832 1.254 1.472 134 HB THR 26 HB THR 26 9.350 2.041 -0.895 135 HG1 THR 26 1HG THR 26 11.778 1.328 -1.172 136 HG21 THR 26 3HG2 THR 26 11.358 3.267 -0.175 137 HG22 THR 26 1HG2 THR 26 11.548 2.151 1.179 138 HG23 THR 26 2HG2 THR 26 10.143 3.214 1.101 139 H THR 27 H THR 27 8.121 -1.541 1.419 140 HA THR 27 HA THR 27 7.268 -2.695 -0.869 141 HB THR 27 HB THR 27 5.282 -3.364 0.788 142 HG1 THR 27 1HG THR 27 6.903 -3.214 2.856 143 HG21 THR 27 3HG2 THR 27 8.152 -4.268 1.113 144 HG22 THR 27 1HG2 THR 27 7.010 -4.877 -0.095 145 HG23 THR 27 2HG2 THR 27 6.699 -5.160 1.609 146 H CYS 28 H CYS 28 5.104 -0.858 1.200 147 HA CYS 28 HA CYS 28 3.370 -0.352 -1.045 148 HB2 CYS 28 2HB CYS 28 3.012 0.134 1.888 149 HB3 CYS 28 1HB CYS 28 1.830 0.605 0.663 150 H ARG 29 H ARG 29 5.982 1.108 0.045 151 HA ARG 29 HA ARG 29 4.953 3.858 -0.038 152 HB2 ARG 29 2HB ARG 29 6.387 2.927 1.876 153 HB3 ARG 29 1HB ARG 29 7.729 2.990 0.747 154 HG2 ARG 29 2HG ARG 29 7.364 5.425 0.501 155 HG3 ARG 29 1HG ARG 29 6.071 5.314 1.678 156 HD2 ARG 29 2HD ARG 29 7.622 4.490 3.363 157 HD3 ARG 29 1HD ARG 29 8.945 4.574 2.207 158 HE ARG 29 HE ARG 29 7.595 7.053 2.474 159 HH11 ARG 29 1HH1 ARG 29 10.027 5.013 4.066 160 HH12 ARG 29 2HH1 ARG 29 10.824 6.305 4.820 161 HH21 ARG 29 1HH2 ARG 29 8.705 8.836 3.509 162 HH22 ARG 29 2HH2 ARG 29 10.082 8.547 4.459 163 H ASN 30 H ASN 30 5.327 2.243 -2.462 164 HA ASN 30 HA ASN 30 7.138 4.079 -3.834 165 HB2 ASN 30 2HB ASN 30 8.047 2.336 -5.272 166 HB3 ASN 30 1HB ASN 30 8.331 1.890 -3.595 167 HD21 ASN 30 1HD2 ASN 30 7.243 0.174 -2.753 168 HD22 ASN 30 2HD2 ASN 30 6.341 -0.956 -3.660 169 H SER 31 H SER 31 6.700 4.148 -6.193 170 HA SER 31 HA SER 31 4.001 4.799 -6.541 171 HB2 SER 31 2HB SER 31 6.181 4.594 -8.590 172 HB3 SER 31 1HB SER 31 4.692 5.539 -8.712 173 HG SER 31 HG SER 31 6.865 6.471 -7.908 174 H ARG 32 H ARG 32 5.347 1.710 -6.797 175 HA ARG 32 HA ARG 32 3.612 0.947 -9.022 176 HB2 ARG 32 2HB ARG 32 5.605 -0.695 -7.470 177 HB3 ARG 32 1HB ARG 32 4.731 -1.218 -8.897 178 HG2 ARG 32 2HG ARG 32 5.888 0.458 -10.231 179 HG3 ARG 32 1HG ARG 32 6.756 1.007 -8.789 180 HD2 ARG 32 2HD ARG 32 8.127 -0.520 -10.118 181 HD3 ARG 32 1HD ARG 32 7.747 -1.206 -8.537 182 HE ARG 32 HE ARG 32 5.877 -1.913 -10.559 183 HH11 ARG 32 1HH1 ARG 32 8.970 -2.883 -9.102 184 HH12 ARG 32 2HH1 ARG 32 8.894 -4.461 -9.742 185 HH21 ARG 32 1HH2 ARG 32 5.769 -4.049 -11.311 186 HH22 ARG 32 2HH2 ARG 32 7.021 -5.167 -11.007 187 H CYS 33 H CYS 33 3.310 1.411 -5.836 188 HA CYS 33 HA CYS 33 1.722 -0.953 -5.325 189 HB2 CYS 33 2HB CYS 33 3.201 -0.173 -3.523 190 HB3 CYS 33 1HB CYS 33 2.392 1.390 -3.521 191 HA PRO 34 HA PRO 34 -1.904 1.192 -6.883 192 HB2 PRO 34 2HB PRO 34 -3.688 -0.585 -5.787 193 HB3 PRO 34 1HB PRO 34 -2.936 -0.782 -7.378 194 HG2 PRO 34 2HG PRO 34 -2.287 -2.045 -4.761 195 HG3 PRO 34 1HG PRO 34 -2.157 -2.726 -6.391 196 HD2 PRO 34 2HD PRO 34 -0.013 -1.900 -4.988 197 HD3 PRO 34 1HD PRO 34 -0.089 -1.768 -6.759 198 H CYS 35 H CYS 35 -1.148 0.618 -3.682 199 HA CYS 35 HA CYS 35 -3.412 2.103 -2.677 200 HB2 CYS 35 2HB CYS 35 -1.047 0.828 -1.379 201 HB3 CYS 35 1HB CYS 35 -2.189 1.823 -0.481 202 H TYR 36 H TYR 36 0.047 2.422 -2.794 203 HA TYR 36 HA TYR 36 0.214 5.037 -1.818 204 HB2 TYR 36 2HB TYR 36 2.124 3.477 -1.984 205 HB3 TYR 36 1HB TYR 36 2.075 3.632 -3.734 206 HD1 TYR 36 1HD TYR 36 2.871 5.659 -4.830 207 HD2 TYR 36 2HD TYR 36 2.975 5.266 -0.600 208 HE1 TYR 36 1HE TYR 36 4.355 7.575 -4.718 209 HE2 TYR 36 2HE TYR 36 4.477 7.195 -0.449 210 HH TYR 36 HH TYR 36 5.981 8.464 -1.762 211 H LYS 37 H LYS 37 0.322 3.889 -5.208 212 HA LYS 37 HA LYS 37 0.417 6.625 -6.101 213 HB2 LYS 37 2HB LYS 37 1.736 4.719 -7.119 214 HB3 LYS 37 1HB LYS 37 0.235 4.146 -7.819 215 HG2 LYS 37 2HG LYS 37 1.355 6.882 -8.363 216 HG3 LYS 37 1HG LYS 37 1.804 5.477 -9.315 217 HD2 LYS 37 2HD LYS 37 -0.559 5.152 -9.964 218 HD3 LYS 37 1HD LYS 37 -1.014 6.541 -8.981 219 HE2 LYS 37 2HE LYS 37 0.860 6.653 -11.342 220 HE3 LYS 37 1HE LYS 37 -0.854 7.039 -11.407 221 HZ1 LYS 37 3HZ LYS 37 -0.478 8.868 -9.873 222 HZ2 LYS 37 1HZ LYS 37 0.540 9.004 -11.196 223 HZ3 LYS 37 2HZ LYS 37 1.152 8.477 -9.728 224 H SER 38 H SER 38 -2.027 4.057 -6.103 225 HA SER 38 HA SER 38 -3.807 5.700 -7.681 226 HB2 SER 38 2HB SER 38 -4.282 3.034 -6.359 227 HB3 SER 38 1HB SER 38 -5.318 3.783 -7.572 228 HG SER 38 HG SER 38 -3.535 3.714 -8.989 229 H TYR 39 H TYR 39 -2.892 5.777 -4.612 230 HA TYR 39 HA TYR 39 -3.571 6.651 -2.728 231 HB2 TYR 39 2HB TYR 39 -5.696 7.992 -4.389 232 HB3 TYR 39 1HB TYR 39 -5.316 8.427 -2.728 233 HD1 TYR 39 1HD TYR 39 -3.132 9.490 -2.211 234 HD2 TYR 39 2HD TYR 39 -4.324 8.687 -6.202 235 HE1 TYR 39 1HE TYR 39 -1.393 11.042 -3.042 236 HE2 TYR 39 2HE TYR 39 -2.613 10.218 -7.037 237 HH TYR 39 HH TYR 39 -0.111 11.434 -5.090 238 H ASN 40 H ASN 40 -4.082 4.355 -2.409 239 HA ASN 40 HA ASN 40 -6.743 4.255 -1.180 240 HB2 ASN 40 2HB ASN 40 -5.354 1.927 -2.562 241 HB3 ASN 40 1HB ASN 40 -6.697 1.742 -1.454 242 HD21 ASN 40 1HD2 ASN 40 -5.705 2.549 -4.622 243 HD22 ASN 40 2HD2 ASN 40 -7.281 2.757 -5.291 244 H SER 41 H SER 41 -6.828 2.849 0.702 245 HA SER 41 HA SER 41 -4.308 2.898 2.133 246 HB2 SER 41 2HB SER 41 -5.919 2.591 4.107 247 HB3 SER 41 1HB SER 41 -5.983 4.132 3.244 248 HG SER 41 HG SER 41 -8.042 3.104 3.710 249 H CYS 42 H CYS 42 -3.819 1.004 3.491 250 HA CYS 42 HA CYS 42 -4.435 -1.397 2.044 251 HB2 CYS 42 2HB CYS 42 -2.457 -0.841 4.236 252 HB3 CYS 42 1HB CYS 42 -2.789 -2.478 3.668 253 H ALA 43 H ALA 43 -6.581 -1.052 2.705 254 HA ALA 43 HA ALA 43 -7.200 -2.309 5.274 255 HB1 ALA 43 1HB ALA 43 -8.425 -0.244 4.758 256 HB2 ALA 43 2HB ALA 43 -9.523 -1.620 4.860 257 HB3 ALA 43 3HB ALA 43 -9.051 -0.983 3.285 258 H GLY 44 H GLY 44 -6.815 -4.420 4.952 259 HA2 GLY 44 2HA GLY 44 -7.684 -6.535 4.454 260 HA3 GLY 44 1HA GLY 44 -8.631 -5.822 3.157 261 H CYS 45 H CYS 45 -5.427 -4.784 3.084 262 HA CYS 45 HA CYS 45 -4.900 -6.295 0.684 263 HB2 CYS 45 2HB CYS 45 -3.050 -4.479 2.250 264 HB3 CYS 45 1HB CYS 45 -2.727 -5.156 0.667 265 H HIS 46 H HIS 46 -3.134 -7.771 0.429 266 HA HIS 46 HA HIS 46 -2.565 -9.172 2.934 267 HB2 HIS 46 2HB HIS 46 -2.735 -10.232 0.123 268 HB3 HIS 46 1HB HIS 46 -2.050 -11.168 1.443 269 HD1 HIS 46 1HD HIS 46 -3.731 -11.770 3.430 270 HD2 HIS 46 2HD HIS 46 -5.493 -10.259 -0.012 271 HE1 HIS 46 1HE HIS 46 -6.175 -12.317 3.621 272 HE2 HIS 46 2HE HIS 46 -7.229 -11.218 1.620 273 H CYS 47 H CYS 47 -1.170 -6.939 1.859 274 HA CYS 47 HA CYS 47 1.425 -7.880 1.130 275 HB2 CYS 47 2HB CYS 47 2.052 -5.465 1.716 276 HB3 CYS 47 1HB CYS 47 1.008 -5.695 0.330 277 H VAL 48 H VAL 48 3.261 -7.854 2.460 278 HA VAL 48 HA VAL 48 2.553 -8.385 5.258 279 HB VAL 48 HB VAL 48 4.940 -9.398 3.684 280 HG11 VAL 48 1HG1 VAL 48 5.311 -10.909 5.574 281 HG12 VAL 48 2HG1 VAL 48 3.975 -10.158 6.438 282 HG13 VAL 48 3HG1 VAL 48 5.424 -9.220 6.072 283 HG21 VAL 48 3HG2 VAL 48 3.811 -11.582 3.748 284 HG22 VAL 48 1HG2 VAL 48 2.862 -10.378 2.877 285 HG23 VAL 48 2HG2 VAL 48 2.417 -10.829 4.521 286 H GLY 49 H GLY 49 3.088 -6.868 6.632 287 HA2 GLY 49 2HA GLY 49 4.245 -5.257 7.777 288 HA3 GLY 49 1HA GLY 49 5.690 -5.919 7.035 289 H CYS 50 H CYS 50 2.939 -4.426 5.448 290 HA CYS 50 HA CYS 50 4.552 -3.048 3.614 291 HB2 CYS 50 2HB CYS 50 2.563 -2.124 2.765 292 HB3 CYS 50 1HB CYS 50 2.178 -3.772 3.260 293 H LYS 51 H LYS 51 5.284 -1.025 3.586 294 HA LYS 51 HA LYS 51 4.485 0.685 5.814 295 HB2 LYS 51 2HB LYS 51 6.884 0.925 3.982 296 HB3 LYS 51 1HB LYS 51 6.488 2.031 5.288 297 HG2 LYS 51 2HG LYS 51 7.205 -0.873 5.576 298 HG3 LYS 51 1HG LYS 51 8.225 0.511 5.971 299 HD2 LYS 51 2HD LYS 51 6.634 1.206 7.700 300 HD3 LYS 51 1HD LYS 51 5.575 -0.137 7.280 301 HE2 LYS 51 2HE LYS 51 8.367 -0.350 8.378 302 HE3 LYS 51 1HE LYS 51 6.872 -0.644 9.263 303 HZ1 LYS 51 3HZ LYS 51 6.402 -2.482 7.735 304 HZ2 LYS 51 1HZ LYS 51 7.857 -2.698 8.558 305 HZ3 LYS 51 2HZ LYS 51 7.866 -2.208 6.947 306 H ASN 52 H ASN 52 2.644 1.446 5.088 307 HA ASN 52 HA ASN 52 2.703 2.916 2.557 308 HB2 ASN 52 2HB ASN 52 0.935 1.134 2.758 309 HB3 ASN 52 1HB ASN 52 0.288 1.973 4.155 310 HD21 ASN 52 1HD2 ASN 52 -1.092 1.353 1.733 311 HD22 ASN 52 2HD2 ASN 52 -1.580 2.866 1.044 312 HA PRO 53 HA PRO 53 3.092 6.387 5.349 313 HB2 PRO 53 2HB PRO 53 2.159 7.723 2.856 314 HB3 PRO 53 1HB PRO 53 3.487 8.177 3.934 315 HG2 PRO 53 2HG PRO 53 4.000 6.994 1.631 316 HG3 PRO 53 1HG PRO 53 4.891 6.530 3.092 317 HD2 PRO 53 2HD PRO 53 2.718 5.090 1.659 318 HD3 PRO 53 1HD PRO 53 4.127 4.451 2.518 319 H HIS 54 H HIS 54 0.275 5.837 3.237 320 HA HIS 54 HA HIS 54 -1.259 7.238 5.241 321 HB2 HIS 54 2HB HIS 54 -2.891 7.760 3.516 322 HB3 HIS 54 1HB HIS 54 -1.342 8.571 3.317 323 HD1 HIS 54 1HD HIS 54 -3.884 6.809 1.528 324 HD2 HIS 54 2HD HIS 54 0.225 7.149 1.128 325 HE1 HIS 54 1HE HIS 54 -3.393 6.187 -0.840 326 HE2 HIS 54 2HE HIS 54 -1.009 6.930 -1.090 327 H LYS 55 H LYS 55 -2.026 5.855 6.461 328 HA LYS 55 HA LYS 55 -4.137 4.217 5.746 329 HB2 LYS 55 2HB LYS 55 -3.143 2.019 6.530 330 HB3 LYS 55 1HB LYS 55 -2.586 2.554 4.956 331 HG2 LYS 55 2HG LYS 55 -0.693 1.672 6.028 332 HG3 LYS 55 1HG LYS 55 -0.513 3.415 6.171 333 HD2 LYS 55 2HD LYS 55 -1.395 3.268 8.479 334 HD3 LYS 55 1HD LYS 55 -1.486 1.514 8.305 335 HE2 LYS 55 2HE LYS 55 0.551 2.076 9.462 336 HE3 LYS 55 1HE LYS 55 0.946 1.480 7.854 337 HZ1 LYS 55 3HZ LYS 55 1.240 3.786 7.116 338 HZ2 LYS 55 1HZ LYS 55 2.238 3.413 8.425 339 HZ3 LYS 55 2HZ LYS 55 0.854 4.314 8.694 340 H GLU 56 H GLU 56 -4.469 2.691 7.953 341 HA GLU 56 HA GLU 56 -4.637 4.820 9.882 342 HB2 GLU 56 2HB GLU 56 -6.622 3.467 9.302 343 HB3 GLU 56 1HB GLU 56 -5.823 2.044 9.949 344 HG2 GLU 56 2HG GLU 56 -5.986 2.821 12.149 345 HG3 GLU 56 1HG GLU 56 -6.337 4.468 11.630 346 H ASP 57 H ASP 57 -2.868 5.129 10.934 347 HA ASP 57 HA ASP 57 -1.167 2.978 11.884 348 HB2 ASP 57 2HB ASP 57 -0.982 5.991 12.039 349 HB3 ASP 57 1HB ASP 57 0.132 4.950 12.907 350 H TYR 58 H TYR 58 -1.225 2.132 13.926 351 HA TYR 58 HA TYR 58 -3.214 3.305 15.628 352 HB2 TYR 58 2HB TYR 58 -1.930 0.581 15.682 353 HB3 TYR 58 1HB TYR 58 -3.078 1.168 16.878 354 HD1 TYR 58 2HD TYR 58 -5.400 1.752 16.176 355 HD2 TYR 58 1HD TYR 58 -2.664 -0.162 13.560 356 HE1 TYR 58 2HE TYR 58 -7.264 1.126 14.706 357 HE2 TYR 58 1HE TYR 58 -4.519 -0.793 12.069 358 HH TYR 58 HH TYR 58 -7.576 0.593 12.345 359 H VAL 59 H VAL 59 -2.673 4.640 16.979 360 HA VAL 59 HA VAL 59 -0.200 4.368 18.438 361 HB VAL 59 HB VAL 59 0.124 6.227 16.935 362 HG11 VAL 59 1HG1 VAL 59 -1.367 8.169 16.788 363 HG12 VAL 59 2HG1 VAL 59 -2.513 7.354 17.849 364 HG13 VAL 59 3HG1 VAL 59 -2.153 6.678 16.262 365 HG21 VAL 59 3HG2 VAL 59 -0.605 7.262 19.670 366 HG22 VAL 59 1HG2 VAL 59 0.353 8.140 18.481 367 HG23 VAL 59 2HG2 VAL 59 0.960 6.631 19.155 Start of MODEL 17 1 H1 SER 8 1HT SER 8 -19.652 2.179 0.385 2 H2 SER 8 2HT SER 8 -19.545 1.575 -1.199 3 H3 SER 8 3HT SER 8 -19.254 3.214 -0.901 4 HA SER 8 HA SER 8 -17.316 2.661 0.333 5 HB2 SER 8 2HB SER 8 -16.582 0.270 0.305 6 HB3 SER 8 1HB SER 8 -18.052 0.524 1.241 7 HG SER 8 HG SER 8 -17.670 -0.693 -1.247 8 HA PRO 9 HA PRO 9 -15.798 2.929 -3.862 9 HB2 PRO 9 2HB PRO 9 -13.414 4.104 -3.303 10 HB3 PRO 9 1HB PRO 9 -14.930 5.002 -3.311 11 HG2 PRO 9 2HG PRO 9 -13.336 4.000 -1.027 12 HG3 PRO 9 1HG PRO 9 -14.319 5.469 -1.149 13 HD2 PRO 9 2HD PRO 9 -15.073 3.101 0.119 14 HD3 PRO 9 1HD PRO 9 -16.175 4.391 -0.392 15 HA PRO 10 HA PRO 10 -13.522 -0.935 -3.708 16 HB2 PRO 10 2HB PRO 10 -12.905 -0.450 -6.532 17 HB3 PRO 10 1HB PRO 10 -13.836 -1.757 -5.796 18 HG2 PRO 10 2HG PRO 10 -14.984 0.199 -7.257 19 HG3 PRO 10 1HG PRO 10 -15.802 -0.591 -5.894 20 HD2 PRO 10 2HD PRO 10 -14.488 2.082 -6.033 21 HD3 PRO 10 1HD PRO 10 -15.973 1.561 -5.196 22 H LYS 11 H LYS 11 -11.510 -1.194 -3.040 23 HA LYS 11 HA LYS 11 -9.435 0.614 -4.057 24 HB2 LYS 11 2HB LYS 11 -9.526 -0.929 -1.458 25 HB3 LYS 11 1HB LYS 11 -8.227 0.134 -1.969 26 HG2 LYS 11 2HG LYS 11 -9.756 2.041 -1.877 27 HG3 LYS 11 1HG LYS 11 -11.058 0.962 -1.372 28 HD2 LYS 11 2HD LYS 11 -9.752 0.348 0.618 29 HD3 LYS 11 1HD LYS 11 -8.485 1.472 0.122 30 HE2 LYS 11 2HE LYS 11 -10.085 3.319 0.258 31 HE3 LYS 11 1HE LYS 11 -11.338 2.190 0.775 32 HZ1 LYS 11 3HZ LYS 11 -10.410 3.261 2.699 33 HZ2 LYS 11 1HZ LYS 11 -8.836 2.825 2.265 34 HZ3 LYS 11 2HZ LYS 11 -9.961 1.658 2.705 35 HA PRO 12 HA PRO 12 -7.717 -3.193 -5.697 36 HB2 PRO 12 2HB PRO 12 -5.205 -1.757 -5.945 37 HB3 PRO 12 1HB PRO 12 -6.193 -2.482 -7.211 38 HG2 PRO 12 2HG PRO 12 -5.984 0.220 -6.914 39 HG3 PRO 12 1HG PRO 12 -7.435 -0.573 -7.548 40 HD2 PRO 12 2HD PRO 12 -6.915 0.540 -4.830 41 HD3 PRO 12 1HD PRO 12 -8.412 0.537 -5.788 42 H LYS 13 H LYS 13 -6.707 -4.705 -4.680 43 HA LYS 13 HA LYS 13 -5.480 -3.967 -2.153 44 HB2 LYS 13 2HB LYS 13 -6.083 -6.193 -1.334 45 HB3 LYS 13 1HB LYS 13 -7.476 -5.205 -1.750 46 HG2 LYS 13 2HG LYS 13 -7.435 -6.496 -4.000 47 HG3 LYS 13 1HG LYS 13 -6.397 -7.642 -3.149 48 HD2 LYS 13 2HD LYS 13 -9.215 -6.841 -2.404 49 HD3 LYS 13 1HD LYS 13 -8.690 -8.398 -3.032 50 HE2 LYS 13 2HE LYS 13 -7.414 -8.819 -1.014 51 HE3 LYS 13 1HE LYS 13 -7.796 -7.212 -0.407 52 HZ1 LYS 13 3HZ LYS 13 -10.158 -7.864 -0.387 53 HZ2 LYS 13 1HZ LYS 13 -9.217 -8.849 0.616 54 HZ3 LYS 13 2HZ LYS 13 -9.708 -9.420 -0.873 55 H CYS 14 H CYS 14 -3.517 -4.034 -2.084 56 HA CYS 14 HA CYS 14 -1.983 -5.496 -4.047 57 HB2 CYS 14 2HB CYS 14 -0.040 -4.199 -3.105 58 HB3 CYS 14 1HB CYS 14 -1.318 -3.228 -3.804 59 H ARG 15 H ARG 15 -0.501 -7.030 -3.669 60 HA ARG 15 HA ARG 15 -0.673 -8.392 -1.062 61 HB2 ARG 15 2HB ARG 15 -1.780 -9.443 -3.088 62 HB3 ARG 15 1HB ARG 15 -0.199 -9.536 -3.832 63 HG2 ARG 15 2HG ARG 15 0.542 -11.094 -2.125 64 HG3 ARG 15 1HG ARG 15 -1.008 -10.941 -1.291 65 HD2 ARG 15 2HD ARG 15 -2.164 -11.816 -3.220 66 HD3 ARG 15 1HD ARG 15 -0.651 -11.934 -4.116 67 HE ARG 15 HE ARG 15 -0.027 -13.518 -2.211 68 HH11 ARG 15 1HH1 ARG 15 -3.349 -13.195 -3.471 69 HH12 ARG 15 2HH1 ARG 15 -3.732 -14.830 -3.192 70 HH21 ARG 15 1HH2 ARG 15 -0.575 -15.746 -1.891 71 HH22 ARG 15 2HH2 ARG 15 -2.130 -16.320 -2.305 72 H CYS 16 H CYS 16 0.989 -6.335 -1.606 73 HA CYS 16 HA CYS 16 3.556 -6.832 -2.636 74 HB2 CYS 16 2HB CYS 16 2.768 -4.850 -0.496 75 HB3 CYS 16 1HB CYS 16 4.173 -4.774 -1.550 76 H GLY 17 H GLY 17 5.541 -7.229 -1.511 77 HA2 GLY 17 2HA GLY 17 6.860 -7.620 0.398 78 HA3 GLY 17 1HA GLY 17 5.392 -7.842 1.343 79 H ILE 18 H ILE 18 4.114 -9.633 -0.361 80 HA ILE 18 HA ILE 18 5.480 -12.091 0.231 81 HB ILE 18 HB ILE 18 3.036 -11.662 -1.536 82 HG12 ILE 18 2HG1 ILE 18 3.275 -11.995 1.456 83 HG13 ILE 18 1HG1 ILE 18 2.595 -10.653 0.580 84 HG21 ILE 18 1HG2 ILE 18 4.044 -13.877 -1.774 85 HG22 ILE 18 2HG2 ILE 18 2.498 -13.987 -0.935 86 HG23 ILE 18 3HG2 ILE 18 4.005 -14.100 -0.023 87 HD11 ILE 18 3HD1 ILE 18 0.841 -12.008 1.575 88 HD12 ILE 18 1HD1 ILE 18 1.406 -13.410 0.667 89 HD13 ILE 18 2HD1 ILE 18 0.732 -12.019 -0.187 90 H SER 19 H SER 19 5.133 -9.906 -2.335 91 HA SER 19 HA SER 19 7.204 -11.258 -3.793 92 HB2 SER 19 2HB SER 19 5.058 -11.813 -4.941 93 HB3 SER 19 1HB SER 19 4.685 -10.099 -5.052 94 HG SER 19 HG SER 19 7.113 -11.024 -6.072 95 H GLY 20 H GLY 20 8.777 -9.834 -4.010 96 HA2 GLY 20 2HA GLY 20 8.577 -7.181 -4.818 97 HA3 GLY 20 1HA GLY 20 8.669 -7.212 -3.053 98 H SER 21 H SER 21 10.508 -6.908 -5.696 99 HA SER 21 HA SER 21 12.635 -8.673 -5.038 100 HB2 SER 21 2HB SER 21 12.659 -6.299 -6.897 101 HB3 SER 21 1HB SER 21 13.766 -7.670 -6.916 102 HG SER 21 HG SER 21 11.733 -8.944 -7.180 103 H SER 22 H SER 22 13.345 -8.213 -2.967 104 HA SER 22 HA SER 22 14.841 -7.468 -1.483 105 HB2 SER 22 2HB SER 22 16.335 -7.139 -3.404 106 HB3 SER 22 1HB SER 22 15.719 -5.506 -3.619 107 HG SER 22 HG SER 22 16.798 -4.843 -1.945 108 H ASN 23 H ASN 23 12.989 -4.893 -2.978 109 HA ASN 23 HA ASN 23 13.302 -3.108 -0.755 110 HB2 ASN 23 2HB ASN 23 12.816 -2.327 -3.111 111 HB3 ASN 23 1HB ASN 23 11.192 -2.971 -2.929 112 HD21 ASN 23 1HD2 ASN 23 12.077 -0.245 -3.413 113 HD22 ASN 23 2HD2 ASN 23 11.439 0.723 -2.140 114 H THR 24 H THR 24 12.703 -4.130 1.016 115 HA THR 24 HA THR 24 9.919 -4.984 1.274 116 HB THR 24 HB THR 24 11.733 -6.677 1.679 117 HG1 THR 24 1HG THR 24 9.808 -7.007 2.677 118 HG21 THR 24 3HG2 THR 24 12.411 -4.913 4.037 119 HG22 THR 24 1HG2 THR 24 13.444 -5.241 2.649 120 HG23 THR 24 2HG2 THR 24 13.048 -6.535 3.783 121 H LEU 25 H LEU 25 11.655 -2.351 1.684 122 HA LEU 25 HA LEU 25 10.646 -1.694 4.359 123 HB2 LEU 25 2HB LEU 25 12.313 0.036 4.577 124 HB3 LEU 25 1HB LEU 25 13.073 -1.488 4.206 125 HG LEU 25 HG LEU 25 12.646 0.691 2.143 126 HD11 LEU 25 1HD1 LEU 25 15.067 0.151 3.848 127 HD12 LEU 25 2HD1 LEU 25 14.011 1.558 3.953 128 HD13 LEU 25 3HD1 LEU 25 14.985 1.291 2.507 129 HD21 LEU 25 3HD2 LEU 25 14.442 -1.750 2.207 130 HD22 LEU 25 1HD2 LEU 25 14.523 -0.476 0.991 131 HD23 LEU 25 2HD2 LEU 25 13.083 -1.453 1.111 132 H THR 26 H THR 26 10.502 -0.699 1.021 133 HA THR 26 HA THR 26 8.706 1.490 1.806 134 HB THR 26 HB THR 26 10.510 1.447 -0.644 135 HG1 THR 26 1HG THR 26 11.115 1.734 1.947 136 HG21 THR 26 3HG2 THR 26 8.621 3.076 -0.638 137 HG22 THR 26 1HG2 THR 26 10.192 3.879 -0.592 138 HG23 THR 26 2HG2 THR 26 9.235 3.741 0.879 139 H THR 27 H THR 27 8.315 -1.405 1.155 140 HA THR 27 HA THR 27 7.612 -2.222 -1.275 141 HB THR 27 HB THR 27 5.827 -2.840 1.009 142 HG1 THR 27 1HG THR 27 7.471 -3.509 2.249 143 HG21 THR 27 3HG2 THR 27 7.610 -4.573 -0.716 144 HG22 THR 27 1HG2 THR 27 5.944 -4.146 -1.122 145 HG23 THR 27 2HG2 THR 27 6.278 -5.085 0.332 146 H CYS 28 H CYS 28 5.215 -1.014 1.055 147 HA CYS 28 HA CYS 28 3.389 -0.435 -1.089 148 HB2 CYS 28 2HB CYS 28 2.999 -0.527 1.880 149 HB3 CYS 28 1HB CYS 28 1.782 0.187 0.826 150 H ARG 29 H ARG 29 5.795 1.282 0.155 151 HA ARG 29 HA ARG 29 4.298 3.806 0.128 152 HB2 ARG 29 2HB ARG 29 5.671 3.297 2.166 153 HB3 ARG 29 1HB ARG 29 7.113 3.310 1.165 154 HG2 ARG 29 2HG ARG 29 6.666 5.665 0.596 155 HG3 ARG 29 1HG ARG 29 5.258 5.631 1.650 156 HD2 ARG 29 2HD ARG 29 6.680 5.253 3.578 157 HD3 ARG 29 1HD ARG 29 8.108 5.166 2.536 158 HE ARG 29 HE ARG 29 6.737 7.536 2.036 159 HH11 ARG 29 1HH1 ARG 29 8.709 6.160 4.637 160 HH12 ARG 29 2HH1 ARG 29 9.321 7.665 5.134 161 HH21 ARG 29 1HH2 ARG 29 7.593 9.591 2.723 162 HH22 ARG 29 2HH2 ARG 29 8.706 9.650 4.007 163 H ASN 30 H ASN 30 5.411 2.137 -2.247 164 HA ASN 30 HA ASN 30 6.680 4.470 -3.450 165 HB2 ASN 30 2HB ASN 30 8.413 3.286 -4.538 166 HB3 ASN 30 1HB ASN 30 8.406 2.657 -2.901 167 HD21 ASN 30 1HD2 ASN 30 7.684 0.530 -2.580 168 HD22 ASN 30 2HD2 ASN 30 7.551 -0.593 -3.879 169 H SER 31 H SER 31 6.723 4.334 -5.894 170 HA SER 31 HA SER 31 4.068 4.401 -6.710 171 HB2 SER 31 2HB SER 31 6.527 4.443 -8.435 172 HB3 SER 31 1HB SER 31 4.955 5.180 -8.779 173 HG SER 31 HG SER 31 5.365 6.761 -7.391 174 H ARG 32 H ARG 32 6.106 1.647 -6.638 175 HA ARG 32 HA ARG 32 4.926 0.319 -8.918 176 HB2 ARG 32 2HB ARG 32 6.561 -0.815 -6.637 177 HB3 ARG 32 1HB ARG 32 6.124 -1.681 -8.102 178 HG2 ARG 32 2HG ARG 32 7.518 -0.296 -9.430 179 HG3 ARG 32 1HG ARG 32 7.777 0.832 -8.095 180 HD2 ARG 32 2HD ARG 32 8.858 -1.034 -6.836 181 HD3 ARG 32 1HD ARG 32 8.726 -2.020 -8.293 182 HE ARG 32 HE ARG 32 10.376 -0.796 -9.290 183 HH11 ARG 32 1HH1 ARG 32 9.514 0.732 -6.204 184 HH12 ARG 32 2HH1 ARG 32 10.962 1.606 -6.039 185 HH21 ARG 32 1HH2 ARG 32 12.415 0.415 -9.047 186 HH22 ARG 32 2HH2 ARG 32 12.662 1.419 -7.695 187 H CYS 33 H CYS 33 3.974 1.017 -5.788 188 HA CYS 33 HA CYS 33 2.343 -1.343 -5.438 189 HB2 CYS 33 2HB CYS 33 3.528 -0.443 -3.501 190 HB3 CYS 33 1HB CYS 33 2.758 1.119 -3.724 191 HA PRO 34 HA PRO 34 -0.890 0.799 -7.733 192 HB2 PRO 34 2HB PRO 34 -2.761 -1.164 -7.535 193 HB3 PRO 34 1HB PRO 34 -1.391 -1.265 -8.654 194 HG2 PRO 34 2HG PRO 34 -1.742 -2.498 -5.949 195 HG3 PRO 34 1HG PRO 34 -1.101 -3.227 -7.434 196 HD2 PRO 34 2HD PRO 34 0.495 -2.340 -5.459 197 HD3 PRO 34 1HD PRO 34 0.976 -2.244 -7.164 198 H CYS 35 H CYS 35 -0.945 -0.160 -4.526 199 HA CYS 35 HA CYS 35 -3.601 0.857 -3.862 200 HB2 CYS 35 2HB CYS 35 -2.331 -1.115 -2.761 201 HB3 CYS 35 1HB CYS 35 -1.362 0.119 -1.992 202 H TYR 36 H TYR 36 -0.217 1.624 -3.357 203 HA TYR 36 HA TYR 36 -0.534 4.028 -1.903 204 HB2 TYR 36 2HB TYR 36 1.518 2.748 -1.792 205 HB3 TYR 36 1HB TYR 36 1.768 2.962 -3.516 206 HD1 TYR 36 2HD TYR 36 1.810 4.684 -0.249 207 HD2 TYR 36 1HD TYR 36 2.742 4.961 -4.388 208 HE1 TYR 36 2HE TYR 36 3.118 6.722 0.180 209 HE2 TYR 36 1HE TYR 36 4.036 6.980 -3.980 210 HH TYR 36 HH TYR 36 4.143 8.779 -2.298 211 H LYS 37 H LYS 37 0.136 3.398 -5.344 212 HA LYS 37 HA LYS 37 0.361 6.184 -5.888 213 HB2 LYS 37 2HB LYS 37 1.387 4.197 -7.198 214 HB3 LYS 37 1HB LYS 37 -0.173 4.124 -8.010 215 HG2 LYS 37 2HG LYS 37 0.129 6.544 -8.613 216 HG3 LYS 37 1HG LYS 37 1.761 6.430 -7.967 217 HD2 LYS 37 2HD LYS 37 1.925 6.149 -10.325 218 HD3 LYS 37 1HD LYS 37 2.165 4.556 -9.605 219 HE2 LYS 37 2HE LYS 37 0.691 4.393 -11.536 220 HE3 LYS 37 1HE LYS 37 -0.195 4.009 -10.066 221 HZ1 LYS 37 3HZ LYS 37 -1.118 6.278 -10.098 222 HZ2 LYS 37 1HZ LYS 37 -1.471 5.460 -11.523 223 HZ3 LYS 37 2HZ LYS 37 -0.260 6.623 -11.488 224 H SER 38 H SER 38 -2.271 4.171 -5.409 225 HA SER 38 HA SER 38 -4.068 5.908 -6.919 226 HB2 SER 38 2HB SER 38 -4.236 3.349 -7.012 227 HB3 SER 38 1HB SER 38 -4.777 3.414 -5.342 228 HG SER 38 HG SER 38 -6.478 4.854 -6.138 229 H TYR 39 H TYR 39 -2.485 5.950 -4.142 230 HA TYR 39 HA TYR 39 -2.551 7.052 -2.215 231 HB2 TYR 39 2HB TYR 39 -4.973 8.507 -3.317 232 HB3 TYR 39 1HB TYR 39 -3.818 9.105 -2.126 233 HD1 TYR 39 2HD TYR 39 -1.298 9.177 -2.964 234 HD2 TYR 39 1HD TYR 39 -4.689 9.109 -5.522 235 HE1 TYR 39 2HE TYR 39 0.078 10.049 -4.804 236 HE2 TYR 39 1HE TYR 39 -3.334 9.957 -7.363 237 HH TYR 39 HH TYR 39 -1.274 11.202 -7.703 238 H ASN 40 H ASN 40 -3.971 4.603 -2.484 239 HA ASN 40 HA ASN 40 -6.273 4.837 -0.715 240 HB2 ASN 40 2HB ASN 40 -5.248 2.674 -2.513 241 HB3 ASN 40 1HB ASN 40 -6.461 2.314 -1.310 242 HD21 ASN 40 1HD2 ASN 40 -6.558 2.184 -4.179 243 HD22 ASN 40 2HD2 ASN 40 -7.847 3.207 -4.705 244 H SER 41 H SER 41 -6.484 3.462 1.047 245 HA SER 41 HA SER 41 -4.045 3.026 2.488 246 HB2 SER 41 2HB SER 41 -5.900 2.458 4.243 247 HB3 SER 41 1HB SER 41 -5.620 4.136 3.757 248 HG SER 41 HG SER 41 -7.456 4.211 2.892 249 H CYS 42 H CYS 42 -3.629 1.005 3.541 250 HA CYS 42 HA CYS 42 -4.369 -1.227 1.899 251 HB2 CYS 42 2HB CYS 42 -2.265 -0.939 4.032 252 HB3 CYS 42 1HB CYS 42 -2.684 -2.494 3.327 253 H ALA 43 H ALA 43 -6.416 -1.000 2.593 254 HA ALA 43 HA ALA 43 -7.020 -2.407 5.107 255 HB1 ALA 43 1HB ALA 43 -8.201 -0.282 4.768 256 HB2 ALA 43 2HB ALA 43 -9.328 -1.636 4.767 257 HB3 ALA 43 3HB ALA 43 -8.845 -0.889 3.245 258 H GLY 44 H GLY 44 -6.956 -4.539 4.742 259 HA2 GLY 44 2HA GLY 44 -8.004 -6.506 4.023 260 HA3 GLY 44 1HA GLY 44 -8.712 -5.617 2.680 261 H CYS 45 H CYS 45 -5.564 -4.780 2.920 262 HA CYS 45 HA CYS 45 -4.863 -6.259 0.541 263 HB2 CYS 45 2HB CYS 45 -3.148 -4.405 2.218 264 HB3 CYS 45 1HB CYS 45 -2.756 -5.020 0.623 265 H HIS 46 H HIS 46 -3.101 -7.708 0.422 266 HA HIS 46 HA HIS 46 -2.658 -9.138 2.964 267 HB2 HIS 46 2HB HIS 46 -2.608 -10.095 0.099 268 HB3 HIS 46 1HB HIS 46 -1.948 -11.057 1.416 269 HD1 HIS 46 1HD HIS 46 -3.569 -12.823 1.986 270 HD2 HIS 46 2HD HIS 46 -5.478 -9.256 1.079 271 HE1 HIS 46 1HE HIS 46 -6.022 -13.269 2.301 272 HE2 HIS 46 2HE HIS 46 -7.020 -10.982 2.180 273 H CYS 47 H CYS 47 -1.278 -6.829 2.124 274 HA CYS 47 HA CYS 47 1.305 -7.564 1.180 275 HB2 CYS 47 2HB CYS 47 1.856 -5.195 1.690 276 HB3 CYS 47 1HB CYS 47 0.522 -5.433 0.567 277 H VAL 48 H VAL 48 3.105 -7.763 2.203 278 HA VAL 48 HA VAL 48 3.145 -7.777 5.162 279 HB VAL 48 HB VAL 48 4.917 -9.391 3.281 280 HG11 VAL 48 1HG1 VAL 48 5.574 -10.638 5.282 281 HG12 VAL 48 2HG1 VAL 48 4.550 -9.596 6.264 282 HG13 VAL 48 3HG1 VAL 48 5.954 -8.921 5.436 283 HG21 VAL 48 3HG2 VAL 48 2.546 -10.340 4.878 284 HG22 VAL 48 1HG2 VAL 48 3.648 -11.373 3.969 285 HG23 VAL 48 2HG2 VAL 48 2.629 -10.201 3.124 286 H GLY 49 H GLY 49 4.914 -6.663 6.112 287 HA2 GLY 49 2HA GLY 49 6.633 -5.117 6.216 288 HA3 GLY 49 1HA GLY 49 7.127 -5.678 4.621 289 H CYS 50 H CYS 50 4.202 -4.101 5.839 290 HA CYS 50 HA CYS 50 4.192 -2.444 3.485 291 HB2 CYS 50 2HB CYS 50 2.196 -3.641 3.671 292 HB3 CYS 50 1HB CYS 50 2.096 -3.373 5.408 293 H LYS 51 H LYS 51 4.788 -0.415 3.765 294 HA LYS 51 HA LYS 51 3.961 0.894 6.241 295 HB2 LYS 51 2HB LYS 51 6.337 1.634 4.490 296 HB3 LYS 51 1HB LYS 51 5.826 2.486 5.936 297 HG2 LYS 51 2HG LYS 51 6.368 0.490 7.277 298 HG3 LYS 51 1HG LYS 51 6.927 -0.320 5.811 299 HD2 LYS 51 2HD LYS 51 8.587 1.505 5.501 300 HD3 LYS 51 1HD LYS 51 8.069 2.188 7.041 301 HE2 LYS 51 2HE LYS 51 8.759 0.132 8.181 302 HE3 LYS 51 1HE LYS 51 9.242 -0.558 6.633 303 HZ1 LYS 51 3HZ LYS 51 10.857 1.257 6.419 304 HZ2 LYS 51 1HZ LYS 51 11.162 0.323 7.783 305 HZ3 LYS 51 2HZ LYS 51 10.440 1.826 7.934 306 H ASN 52 H ASN 52 2.014 1.508 5.387 307 HA ASN 52 HA ASN 52 2.141 3.097 2.924 308 HB2 ASN 52 2HB ASN 52 0.553 1.117 2.996 309 HB3 ASN 52 1HB ASN 52 -0.354 1.977 4.230 310 HD21 ASN 52 1HD2 ASN 52 -1.338 1.152 1.694 311 HD22 ASN 52 2HD2 ASN 52 -1.818 2.586 0.859 312 HA PRO 53 HA PRO 53 1.658 6.511 5.850 313 HB2 PRO 53 2HB PRO 53 1.664 8.104 3.360 314 HB3 PRO 53 1HB PRO 53 2.722 8.226 4.768 315 HG2 PRO 53 2HG PRO 53 3.608 7.239 2.439 316 HG3 PRO 53 1HG PRO 53 4.165 6.597 3.993 317 HD2 PRO 53 2HD PRO 53 2.152 5.460 2.094 318 HD3 PRO 53 1HD PRO 53 3.412 4.640 3.045 319 H HIS 54 H HIS 54 -0.233 5.693 3.049 320 HA HIS 54 HA HIS 54 -2.221 7.742 3.518 321 HB2 HIS 54 2HB HIS 54 -2.235 5.432 1.557 322 HB3 HIS 54 1HB HIS 54 -3.481 6.666 1.665 323 HD1 HIS 54 1HD HIS 54 -3.022 8.910 0.493 324 HD2 HIS 54 2HD HIS 54 0.252 6.334 0.510 325 HE1 HIS 54 1HE HIS 54 -1.364 9.926 -1.026 326 HE2 HIS 54 2HE HIS 54 0.649 8.510 -0.896 327 H LYS 55 H LYS 55 -4.009 7.528 4.566 328 HA LYS 55 HA LYS 55 -4.775 4.893 5.582 329 HB2 LYS 55 2HB LYS 55 -5.040 7.596 6.945 330 HB3 LYS 55 1HB LYS 55 -5.589 6.057 7.589 331 HG2 LYS 55 2HG LYS 55 -2.727 6.841 7.078 332 HG3 LYS 55 1HG LYS 55 -3.524 6.783 8.653 333 HD2 LYS 55 2HD LYS 55 -3.871 4.359 8.359 334 HD3 LYS 55 1HD LYS 55 -3.035 4.437 6.807 335 HE2 LYS 55 2HE LYS 55 -1.833 5.160 9.477 336 HE3 LYS 55 1HE LYS 55 -1.573 3.641 8.625 337 HZ1 LYS 55 3HZ LYS 55 -0.802 6.338 7.640 338 HZ2 LYS 55 1HZ LYS 55 -0.489 4.865 6.843 339 HZ3 LYS 55 2HZ LYS 55 0.228 5.210 8.324 340 H GLU 56 H GLU 56 -7.249 5.694 6.557 341 HA GLU 56 HA GLU 56 -8.683 6.216 4.152 342 HB2 GLU 56 2HB GLU 56 -9.449 4.841 6.189 343 HB3 GLU 56 1HB GLU 56 -9.819 6.388 6.945 344 HG2 GLU 56 2HG GLU 56 -11.796 5.427 5.935 345 HG3 GLU 56 1HG GLU 56 -11.322 6.915 5.098 346 H ASP 57 H ASP 57 -8.334 8.122 3.322 347 HA ASP 57 HA ASP 57 -8.111 10.303 2.918 348 HB2 ASP 57 2HB ASP 57 -10.346 10.667 4.006 349 HB3 ASP 57 1HB ASP 57 -9.461 10.830 5.536 350 H TYR 58 H TYR 58 -6.323 11.203 2.928 351 HA TYR 58 HA TYR 58 -4.851 11.476 5.427 352 HB2 TYR 58 2HB TYR 58 -4.163 9.321 4.684 353 HB3 TYR 58 1HB TYR 58 -3.865 9.904 3.053 354 HD1 TYR 58 1HD TYR 58 -2.749 10.484 6.564 355 HD2 TYR 58 2HD TYR 58 -1.688 10.393 2.450 356 HE1 TYR 58 1HE TYR 58 -0.397 10.894 7.159 357 HE2 TYR 58 2HE TYR 58 0.650 10.796 3.032 358 HH TYR 58 HH TYR 58 1.843 11.841 4.876 359 H VAL 59 H VAL 59 -4.499 13.542 5.497 360 HA VAL 59 HA VAL 59 -2.793 14.745 3.487 361 HB VAL 59 HB VAL 59 -5.147 16.275 4.683 362 HG11 VAL 59 1HG1 VAL 59 -3.152 17.031 2.559 363 HG12 VAL 59 2HG1 VAL 59 -3.230 17.663 4.203 364 HG13 VAL 59 3HG1 VAL 59 -4.523 18.015 3.057 365 HG21 VAL 59 3HG2 VAL 59 -6.136 16.342 2.431 366 HG22 VAL 59 1HG2 VAL 59 -6.035 14.696 3.055 367 HG23 VAL 59 2HG2 VAL 59 -4.872 15.255 1.852 Start of MODEL 18 1 H1 SER 8 1HT SER 8 -20.816 2.181 -4.865 2 H2 SER 8 2HT SER 8 -19.982 0.706 -4.997 3 H3 SER 8 3HT SER 8 -20.298 1.640 -6.382 4 HA SER 8 HA SER 8 -18.918 3.352 -5.611 5 HB2 SER 8 2HB SER 8 -18.329 1.505 -3.288 6 HB3 SER 8 1HB SER 8 -17.752 3.159 -3.519 7 HG SER 8 HG SER 8 -19.505 3.014 -2.090 8 HA PRO 9 HA PRO 9 -15.897 0.874 -7.771 9 HB2 PRO 9 2HB PRO 9 -13.822 2.855 -7.143 10 HB3 PRO 9 1HB PRO 9 -14.523 2.449 -8.710 11 HG2 PRO 9 2HG PRO 9 -15.013 4.799 -7.485 12 HG3 PRO 9 1HG PRO 9 -16.218 3.990 -8.500 13 HD2 PRO 9 2HD PRO 9 -16.000 4.057 -5.514 14 HD3 PRO 9 1HD PRO 9 -17.434 4.217 -6.553 15 HA PRO 10 HA PRO 10 -13.716 -1.027 -4.330 16 HB2 PRO 10 2HB PRO 10 -12.278 -2.737 -6.169 17 HB3 PRO 10 1HB PRO 10 -13.616 -3.157 -5.099 18 HG2 PRO 10 2HG PRO 10 -13.832 -3.125 -7.815 19 HG3 PRO 10 1HG PRO 10 -15.194 -2.844 -6.721 20 HD2 PRO 10 2HD PRO 10 -13.511 -0.865 -8.203 21 HD3 PRO 10 1HD PRO 10 -15.277 -0.904 -7.964 22 H LYS 11 H LYS 11 -11.674 -0.944 -3.412 23 HA LYS 11 HA LYS 11 -9.898 0.893 -4.748 24 HB2 LYS 11 2HB LYS 11 -8.765 1.105 -2.611 25 HB3 LYS 11 1HB LYS 11 -10.493 1.286 -2.382 26 HG2 LYS 11 2HG LYS 11 -10.627 -0.979 -1.501 27 HG3 LYS 11 1HG LYS 11 -8.899 -1.199 -1.786 28 HD2 LYS 11 2HD LYS 11 -8.436 0.680 -0.249 29 HD3 LYS 11 1HD LYS 11 -10.165 0.816 0.064 30 HE2 LYS 11 2HE LYS 11 -10.187 -1.462 0.952 31 HE3 LYS 11 1HE LYS 11 -8.467 -1.613 0.614 32 HZ1 LYS 11 3HZ LYS 11 -8.810 -1.115 2.904 33 HZ2 LYS 11 1HZ LYS 11 -9.705 0.267 2.582 34 HZ3 LYS 11 2HZ LYS 11 -8.082 0.232 2.215 35 HA PRO 12 HA PRO 12 -7.001 -2.224 -6.026 36 HB2 PRO 12 2HB PRO 12 -4.840 -0.412 -5.124 37 HB3 PRO 12 1HB PRO 12 -5.143 -1.090 -6.727 38 HG2 PRO 12 2HG PRO 12 -5.609 1.484 -6.213 39 HG3 PRO 12 1HG PRO 12 -6.662 0.546 -7.284 40 HD2 PRO 12 2HD PRO 12 -7.107 1.371 -4.448 41 HD3 PRO 12 1HD PRO 12 -8.247 1.304 -5.812 42 H LYS 13 H LYS 13 -5.645 -3.752 -5.164 43 HA LYS 13 HA LYS 13 -4.929 -3.577 -2.377 44 HB2 LYS 13 2HB LYS 13 -5.687 -6.033 -2.184 45 HB3 LYS 13 1HB LYS 13 -6.914 -4.782 -2.107 46 HG2 LYS 13 2HG LYS 13 -7.460 -5.181 -4.463 47 HG3 LYS 13 1HG LYS 13 -6.241 -6.453 -4.522 48 HD2 LYS 13 2HD LYS 13 -7.426 -7.784 -2.972 49 HD3 LYS 13 1HD LYS 13 -8.535 -6.475 -2.576 50 HE2 LYS 13 2HE LYS 13 -8.309 -7.817 -5.272 51 HE3 LYS 13 1HE LYS 13 -9.547 -8.161 -4.069 52 HZ1 LYS 13 3HZ LYS 13 -10.392 -6.646 -5.707 53 HZ2 LYS 13 1HZ LYS 13 -9.127 -5.567 -5.455 54 HZ3 LYS 13 2HZ LYS 13 -10.269 -5.835 -4.246 55 H CYS 14 H CYS 14 -3.266 -5.137 -1.815 56 HA CYS 14 HA CYS 14 -1.736 -5.971 -4.141 57 HB2 CYS 14 2HB CYS 14 0.248 -4.751 -3.338 58 HB3 CYS 14 1HB CYS 14 -1.093 -3.682 -3.710 59 H ARG 15 H ARG 15 0.069 -7.264 -3.569 60 HA ARG 15 HA ARG 15 -0.143 -8.612 -0.963 61 HB2 ARG 15 2HB ARG 15 0.574 -9.843 -3.641 62 HB3 ARG 15 1HB ARG 15 0.420 -10.699 -2.111 63 HG2 ARG 15 2HG ARG 15 -1.975 -10.117 -2.055 64 HG3 ARG 15 1HG ARG 15 -1.796 -9.324 -3.617 65 HD2 ARG 15 2HD ARG 15 -1.036 -11.484 -4.558 66 HD3 ARG 15 1HD ARG 15 -1.382 -12.240 -3.004 67 HE ARG 15 HE ARG 15 -3.473 -10.810 -4.472 68 HH11 ARG 15 1HH1 ARG 15 -2.392 -13.770 -2.825 69 HH12 ARG 15 2HH1 ARG 15 -3.756 -14.681 -3.301 70 HH21 ARG 15 1HH2 ARG 15 -5.356 -12.075 -5.059 71 HH22 ARG 15 2HH2 ARG 15 -5.461 -13.718 -4.572 72 H CYS 16 H CYS 16 1.387 -6.369 -1.652 73 HA CYS 16 HA CYS 16 4.032 -6.753 -2.423 74 HB2 CYS 16 2HB CYS 16 2.941 -4.791 -0.395 75 HB3 CYS 16 1HB CYS 16 4.541 -4.709 -1.115 76 H GLY 17 H GLY 17 5.896 -7.231 -1.333 77 HA2 GLY 17 2HA GLY 17 7.185 -7.832 0.526 78 HA3 GLY 17 1HA GLY 17 5.706 -8.105 1.444 79 H ILE 18 H ILE 18 4.381 -9.621 -0.526 80 HA ILE 18 HA ILE 18 5.649 -12.180 -0.045 81 HB ILE 18 HB ILE 18 3.063 -11.599 -1.511 82 HG12 ILE 18 2HG1 ILE 18 3.561 -12.089 1.432 83 HG13 ILE 18 1HG1 ILE 18 2.933 -10.644 0.687 84 HG21 ILE 18 1HG2 ILE 18 4.094 -14.117 -0.192 85 HG22 ILE 18 2HG2 ILE 18 3.948 -13.832 -1.925 86 HG23 ILE 18 3HG2 ILE 18 2.500 -13.925 -0.922 87 HD11 ILE 18 3HD1 ILE 18 1.513 -13.298 0.726 88 HD12 ILE 18 1HD1 ILE 18 0.915 -11.806 -0.004 89 HD13 ILE 18 2HD1 ILE 18 1.148 -11.900 1.739 90 H SER 19 H SER 19 4.549 -10.212 -2.773 91 HA SER 19 HA SER 19 5.435 -11.984 -4.775 92 HB2 SER 19 2HB SER 19 4.968 -9.894 -6.189 93 HB3 SER 19 1HB SER 19 3.616 -10.587 -5.286 94 HG SER 19 HG SER 19 3.703 -8.355 -4.996 95 H GLY 20 H GLY 20 6.805 -9.104 -3.260 96 HA2 GLY 20 2HA GLY 20 9.380 -9.803 -4.397 97 HA3 GLY 20 1HA GLY 20 8.725 -8.225 -4.813 98 H SER 21 H SER 21 11.106 -8.885 -3.323 99 HA SER 21 HA SER 21 10.470 -7.545 -0.797 100 HB2 SER 21 2HB SER 21 12.682 -9.544 -1.349 101 HB3 SER 21 1HB SER 21 12.348 -8.755 0.193 102 HG SER 21 HG SER 21 10.221 -10.040 -0.971 103 H SER 22 H SER 22 11.341 -6.657 -3.649 104 HA SER 22 HA SER 22 13.983 -5.670 -3.476 105 HB2 SER 22 2HB SER 22 11.659 -4.502 -5.031 106 HB3 SER 22 1HB SER 22 13.372 -4.299 -5.387 107 HG SER 22 HG SER 22 13.374 -6.695 -5.546 108 H ASN 23 H ASN 23 10.869 -4.491 -2.536 109 HA ASN 23 HA ASN 23 12.100 -2.207 -1.168 110 HB2 ASN 23 2HB ASN 23 9.244 -2.670 -2.069 111 HB3 ASN 23 1HB ASN 23 9.745 -1.320 -1.058 112 HD21 ASN 23 1HD2 ASN 23 9.701 -2.660 -4.238 113 HD22 ASN 23 2HD2 ASN 23 10.311 -1.271 -5.050 114 H THR 24 H THR 24 12.323 -2.578 0.945 115 HA THR 24 HA THR 24 10.706 -4.688 2.138 116 HB THR 24 HB THR 24 12.427 -4.462 4.012 117 HG1 THR 24 1HG THR 24 14.168 -3.346 2.131 118 HG21 THR 24 3HG2 THR 24 12.468 -6.306 2.411 119 HG22 THR 24 1HG2 THR 24 14.113 -5.778 2.748 120 HG23 THR 24 2HG2 THR 24 13.326 -5.303 1.244 121 H LEU 25 H LEU 25 11.741 -1.360 2.653 122 HA LEU 25 HA LEU 25 9.765 -1.005 4.723 123 HB2 LEU 25 2HB LEU 25 12.232 -0.332 4.841 124 HB3 LEU 25 1HB LEU 25 11.839 0.907 3.672 125 HG LEU 25 HG LEU 25 10.472 0.654 6.276 126 HD11 LEU 25 1HD1 LEU 25 12.842 0.893 6.747 127 HD12 LEU 25 2HD1 LEU 25 12.074 2.445 7.091 128 HD13 LEU 25 3HD1 LEU 25 12.971 2.212 5.589 129 HD21 LEU 25 3HD2 LEU 25 9.344 2.118 4.684 130 HD22 LEU 25 1HD2 LEU 25 10.833 3.030 4.436 131 HD23 LEU 25 2HD2 LEU 25 10.014 3.086 5.996 132 H THR 26 H THR 26 10.748 0.046 1.502 133 HA THR 26 HA THR 26 8.570 1.899 1.314 134 HB THR 26 HB THR 26 9.588 2.169 -1.048 135 HG1 THR 26 1HG THR 26 11.131 0.812 -1.481 136 HG21 THR 26 3HG2 THR 26 9.920 3.791 0.759 137 HG22 THR 26 1HG2 THR 26 11.417 3.573 -0.146 138 HG23 THR 26 2HG2 THR 26 11.214 2.800 1.426 139 H THR 27 H THR 27 8.086 -1.074 1.513 140 HA THR 27 HA THR 27 7.569 -2.506 -0.725 141 HB THR 27 HB THR 27 5.565 -2.695 1.378 142 HG1 THR 27 1HG THR 27 7.157 -3.053 3.031 143 HG21 THR 27 3HG2 THR 27 6.235 -4.582 -0.069 144 HG22 THR 27 1HG2 THR 27 6.541 -4.939 1.627 145 HG23 THR 27 2HG2 THR 27 7.877 -4.486 0.564 146 H CYS 28 H CYS 28 5.104 -0.909 1.183 147 HA CYS 28 HA CYS 28 3.399 -0.660 -1.114 148 HB2 CYS 28 2HB CYS 28 2.853 -0.410 1.815 149 HB3 CYS 28 1HB CYS 28 1.635 -0.054 0.592 150 H ARG 29 H ARG 29 5.690 1.118 0.102 151 HA ARG 29 HA ARG 29 4.291 3.679 0.143 152 HB2 ARG 29 2HB ARG 29 5.871 2.878 1.956 153 HB3 ARG 29 1HB ARG 29 7.166 3.128 0.791 154 HG2 ARG 29 2HG ARG 29 6.571 5.502 0.693 155 HG3 ARG 29 1HG ARG 29 5.319 5.216 1.898 156 HD2 ARG 29 2HD ARG 29 7.055 4.363 3.453 157 HD3 ARG 29 1HD ARG 29 8.283 4.807 2.271 158 HE ARG 29 HE ARG 29 6.445 6.807 3.376 159 HH11 ARG 29 1HH1 ARG 29 9.785 5.694 2.856 160 HH12 ARG 29 2HH1 ARG 29 10.492 7.106 3.472 161 HH21 ARG 29 1HH2 ARG 29 7.408 8.693 4.244 162 HH22 ARG 29 2HH2 ARG 29 9.114 8.889 4.258 163 H ASN 30 H ASN 30 5.755 1.861 -2.153 164 HA ASN 30 HA ASN 30 6.923 4.221 -3.464 165 HB2 ASN 30 2HB ASN 30 8.316 2.835 -4.825 166 HB3 ASN 30 1HB ASN 30 8.432 2.172 -3.205 167 HD21 ASN 30 1HD2 ASN 30 7.449 0.183 -2.791 168 HD22 ASN 30 2HD2 ASN 30 7.026 -0.910 -4.054 169 H SER 31 H SER 31 6.626 4.357 -5.854 170 HA SER 31 HA SER 31 3.899 4.605 -6.341 171 HB2 SER 31 2HB SER 31 6.220 4.794 -8.237 172 HB3 SER 31 1HB SER 31 4.602 5.469 -8.494 173 HG SER 31 HG SER 31 4.891 6.807 -6.774 174 H ARG 32 H ARG 32 5.735 1.774 -6.675 175 HA ARG 32 HA ARG 32 4.029 0.796 -8.815 176 HB2 ARG 32 2HB ARG 32 6.445 -0.452 -7.512 177 HB3 ARG 32 1HB ARG 32 5.450 -1.283 -8.699 178 HG2 ARG 32 2HG ARG 32 6.981 1.272 -9.156 179 HG3 ARG 32 1HG ARG 32 7.440 -0.335 -9.731 180 HD2 ARG 32 2HD ARG 32 5.341 -0.437 -11.032 181 HD3 ARG 32 1HD ARG 32 4.942 1.187 -10.489 182 HE ARG 32 HE ARG 32 7.423 1.340 -11.627 183 HH11 ARG 32 1HH1 ARG 32 4.122 0.546 -12.631 184 HH12 ARG 32 2HH1 ARG 32 4.334 1.016 -14.254 185 HH21 ARG 32 1HH2 ARG 32 7.721 1.991 -13.871 186 HH22 ARG 32 2HH2 ARG 32 6.431 1.873 -14.966 187 H CYS 33 H CYS 33 3.663 1.165 -5.677 188 HA CYS 33 HA CYS 33 2.238 -1.323 -5.301 189 HB2 CYS 33 2HB CYS 33 3.407 -0.319 -3.349 190 HB3 CYS 33 1HB CYS 33 2.426 1.130 -3.516 191 HA PRO 34 HA PRO 34 -1.069 0.492 -7.610 192 HB2 PRO 34 2HB PRO 34 -3.028 -1.305 -6.894 193 HB3 PRO 34 1HB PRO 34 -1.825 -1.590 -8.153 194 HG2 PRO 34 2HG PRO 34 -1.857 -2.515 -5.318 195 HG3 PRO 34 1HG PRO 34 -1.356 -3.383 -6.783 196 HD2 PRO 34 2HD PRO 34 0.424 -2.333 -5.073 197 HD3 PRO 34 1HD PRO 34 0.726 -2.378 -6.819 198 H CYS 35 H CYS 35 -1.271 -0.118 -4.249 199 HA CYS 35 HA CYS 35 -3.725 1.288 -3.779 200 HB2 CYS 35 2HB CYS 35 -1.485 0.550 -1.924 201 HB3 CYS 35 1HB CYS 35 -3.061 1.152 -1.419 202 H TYR 36 H TYR 36 -0.372 1.983 -3.023 203 HA TYR 36 HA TYR 36 -0.528 4.480 -1.916 204 HB2 TYR 36 2HB TYR 36 1.509 3.209 -1.864 205 HB3 TYR 36 1HB TYR 36 1.654 3.279 -3.615 206 HD1 TYR 36 1HD TYR 36 1.916 5.249 -0.508 207 HD2 TYR 36 2HD TYR 36 2.639 5.167 -4.688 208 HE1 TYR 36 1HE TYR 36 3.296 7.267 -0.300 209 HE2 TYR 36 2HE TYR 36 4.019 7.182 -4.509 210 HH TYR 36 HH TYR 36 4.207 9.077 -3.011 211 H LYS 37 H LYS 37 0.105 3.795 -5.335 212 HA LYS 37 HA LYS 37 0.240 6.563 -5.991 213 HB2 LYS 37 2HB LYS 37 1.452 4.702 -7.164 214 HB3 LYS 37 1HB LYS 37 -0.087 4.245 -7.881 215 HG2 LYS 37 2HG LYS 37 -0.242 6.464 -8.918 216 HG3 LYS 37 1HG LYS 37 1.328 6.874 -8.232 217 HD2 LYS 37 2HD LYS 37 1.604 6.218 -10.537 218 HD3 LYS 37 1HD LYS 37 2.321 4.989 -9.492 219 HE2 LYS 37 2HE LYS 37 0.392 3.572 -9.766 220 HE3 LYS 37 1HE LYS 37 -0.440 4.826 -10.687 221 HZ1 LYS 37 3HZ LYS 37 1.314 4.653 -12.346 222 HZ2 LYS 37 1HZ LYS 37 0.459 3.211 -12.156 223 HZ3 LYS 37 2HZ LYS 37 1.998 3.349 -11.492 224 H SER 38 H SER 38 -2.353 4.401 -5.608 225 HA SER 38 HA SER 38 -4.125 6.043 -7.256 226 HB2 SER 38 2HB SER 38 -4.670 3.386 -5.939 227 HB3 SER 38 1HB SER 38 -5.676 4.190 -7.143 228 HG SER 38 HG SER 38 -3.529 2.610 -7.441 229 H TYR 39 H TYR 39 -2.950 6.386 -4.376 230 HA TYR 39 HA TYR 39 -3.533 7.616 -2.562 231 HB2 TYR 39 2HB TYR 39 -6.245 7.912 -3.873 232 HB3 TYR 39 1HB TYR 39 -5.696 8.817 -2.471 233 HD1 TYR 39 2HD TYR 39 -3.987 10.565 -2.732 234 HD2 TYR 39 1HD TYR 39 -5.513 8.449 -6.079 235 HE1 TYR 39 2HE TYR 39 -3.063 12.269 -4.226 236 HE2 TYR 39 1HE TYR 39 -4.595 10.136 -7.587 237 HH TYR 39 HH TYR 39 -3.913 12.428 -7.537 238 H ASN 40 H ASN 40 -4.086 4.651 -2.705 239 HA ASN 40 HA ASN 40 -6.123 4.618 -0.605 240 HB2 ASN 40 2HB ASN 40 -5.514 2.519 -2.659 241 HB3 ASN 40 1HB ASN 40 -6.375 2.140 -1.172 242 HD21 ASN 40 1HD2 ASN 40 -6.511 3.785 -4.211 243 HD22 ASN 40 2HD2 ASN 40 -8.206 4.071 -4.189 244 H SER 41 H SER 41 -5.941 3.281 1.172 245 HA SER 41 HA SER 41 -3.314 2.889 2.098 246 HB2 SER 41 2HB SER 41 -5.878 2.281 3.473 247 HB3 SER 41 1HB SER 41 -4.400 3.050 4.064 248 HG SER 41 HG SER 41 -5.740 4.798 3.809 249 H CYS 42 H CYS 42 -3.365 0.691 3.567 250 HA CYS 42 HA CYS 42 -4.061 -1.389 1.628 251 HB2 CYS 42 2HB CYS 42 -1.700 -1.207 3.436 252 HB3 CYS 42 1HB CYS 42 -2.168 -2.705 2.631 253 H ALA 43 H ALA 43 -5.614 -0.474 4.091 254 HA ALA 43 HA ALA 43 -5.639 -2.843 5.697 255 HB1 ALA 43 1HB ALA 43 -7.755 -0.704 5.410 256 HB2 ALA 43 2HB ALA 43 -6.444 -0.689 6.589 257 HB3 ALA 43 3HB ALA 43 -7.695 -1.932 6.674 258 H GLY 44 H GLY 44 -6.360 -4.740 5.038 259 HA2 GLY 44 2HA GLY 44 -8.199 -6.082 4.206 260 HA3 GLY 44 1HA GLY 44 -8.515 -4.808 3.046 261 H CYS 45 H CYS 45 -5.356 -4.775 2.916 262 HA CYS 45 HA CYS 45 -5.223 -6.432 0.547 263 HB2 CYS 45 2HB CYS 45 -3.046 -4.934 2.019 264 HB3 CYS 45 1HB CYS 45 -2.864 -5.709 0.458 265 H HIS 46 H HIS 46 -3.065 -7.806 0.438 266 HA HIS 46 HA HIS 46 -2.850 -9.303 2.953 267 HB2 HIS 46 2HB HIS 46 -2.685 -10.342 0.118 268 HB3 HIS 46 1HB HIS 46 -2.109 -11.263 1.501 269 HD1 HIS 46 1HD HIS 46 -4.010 -11.878 3.325 270 HD2 HIS 46 2HD HIS 46 -5.363 -10.557 -0.370 271 HE1 HIS 46 1HE HIS 46 -6.419 -12.530 3.216 272 HE2 HIS 46 2HE HIS 46 -7.111 -11.980 0.868 273 H CYS 47 H CYS 47 -1.439 -6.996 1.816 274 HA CYS 47 HA CYS 47 1.197 -7.779 1.175 275 HB2 CYS 47 2HB CYS 47 1.739 -5.354 1.672 276 HB3 CYS 47 1HB CYS 47 0.582 -5.635 0.388 277 H VAL 48 H VAL 48 2.995 -7.848 2.326 278 HA VAL 48 HA VAL 48 2.752 -7.966 5.258 279 HB VAL 48 HB VAL 48 4.566 -9.578 3.424 280 HG11 VAL 48 1HG1 VAL 48 5.639 -9.098 5.549 281 HG12 VAL 48 2HG1 VAL 48 5.214 -10.806 5.437 282 HG13 VAL 48 3HG1 VAL 48 4.233 -9.715 6.417 283 HG21 VAL 48 3HG2 VAL 48 3.265 -11.527 4.169 284 HG22 VAL 48 1HG2 VAL 48 2.270 -10.356 3.299 285 HG23 VAL 48 2HG2 VAL 48 2.190 -10.442 5.057 286 H GLY 49 H GLY 49 4.157 -6.695 6.347 287 HA2 GLY 49 2HA GLY 49 5.867 -5.222 6.739 288 HA3 GLY 49 1HA GLY 49 6.615 -5.733 5.222 289 H CYS 50 H CYS 50 3.460 -4.418 5.909 290 HA CYS 50 HA CYS 50 3.647 -2.758 3.585 291 HB2 CYS 50 2HB CYS 50 1.582 -3.824 3.848 292 HB3 CYS 50 1HB CYS 50 1.462 -3.356 5.539 293 H LYS 51 H LYS 51 4.852 -0.971 3.859 294 HA LYS 51 HA LYS 51 3.924 0.805 5.985 295 HB2 LYS 51 2HB LYS 51 6.335 1.024 4.150 296 HB3 LYS 51 1HB LYS 51 5.795 2.335 5.174 297 HG2 LYS 51 2HG LYS 51 7.670 1.291 6.218 298 HG3 LYS 51 1HG LYS 51 6.231 0.890 7.144 299 HD2 LYS 51 2HD LYS 51 6.178 -1.326 6.165 300 HD3 LYS 51 1HD LYS 51 7.534 -0.921 5.114 301 HE2 LYS 51 2HE LYS 51 8.313 -2.227 7.004 302 HE3 LYS 51 1HE LYS 51 8.951 -0.595 7.086 303 HZ1 LYS 51 3HZ LYS 51 6.657 -1.651 8.645 304 HZ2 LYS 51 1HZ LYS 51 7.214 -0.056 8.732 305 HZ3 LYS 51 2HZ LYS 51 8.191 -1.316 9.252 306 H ASN 52 H ASN 52 2.023 1.364 5.146 307 HA ASN 52 HA ASN 52 2.091 2.722 2.561 308 HB2 ASN 52 2HB ASN 52 0.490 0.847 2.629 309 HB3 ASN 52 1HB ASN 52 -0.298 1.562 4.027 310 HD21 ASN 52 1HD2 ASN 52 0.090 1.701 0.571 311 HD22 ASN 52 2HD2 ASN 52 -1.193 2.834 0.320 312 HA PRO 53 HA PRO 53 1.920 6.286 5.300 313 HB2 PRO 53 2HB PRO 53 1.605 7.714 2.739 314 HB3 PRO 53 1HB PRO 53 2.802 7.946 4.014 315 HG2 PRO 53 2HG PRO 53 3.502 6.805 1.737 316 HG3 PRO 53 1HG PRO 53 4.106 6.180 3.288 317 HD2 PRO 53 2HD PRO 53 1.892 5.128 1.561 318 HD3 PRO 53 1HD PRO 53 3.222 4.262 2.372 319 H HIS 54 H HIS 54 -0.601 5.157 3.340 320 HA HIS 54 HA HIS 54 -2.291 7.450 3.970 321 HB2 HIS 54 2HB HIS 54 -2.791 5.090 2.154 322 HB3 HIS 54 1HB HIS 54 -4.032 6.256 2.574 323 HD1 HIS 54 1HD HIS 54 -4.138 8.332 1.183 324 HD2 HIS 54 2HD HIS 54 -0.634 6.188 0.588 325 HE1 HIS 54 1HE HIS 54 -3.028 9.398 -0.777 326 HE2 HIS 54 2HE HIS 54 -0.783 8.347 -0.834 327 H LYS 55 H LYS 55 -3.833 7.380 5.372 328 HA LYS 55 HA LYS 55 -4.263 4.977 6.986 329 HB2 LYS 55 2HB LYS 55 -3.811 7.188 8.053 330 HB3 LYS 55 1HB LYS 55 -5.191 7.861 7.212 331 HG2 LYS 55 2HG LYS 55 -5.775 7.500 9.501 332 HG3 LYS 55 1HG LYS 55 -6.651 6.330 8.514 333 HD2 LYS 55 2HD LYS 55 -5.080 4.591 9.132 334 HD3 LYS 55 1HD LYS 55 -4.092 5.762 10.005 335 HE2 LYS 55 2HE LYS 55 -5.906 6.189 11.558 336 HE3 LYS 55 1HE LYS 55 -6.956 5.094 10.672 337 HZ1 LYS 55 3HZ LYS 55 -4.439 4.292 12.024 338 HZ2 LYS 55 1HZ LYS 55 -5.555 3.255 11.306 339 HZ3 LYS 55 2HZ LYS 55 -5.963 4.125 12.695 340 H GLU 56 H GLU 56 -6.568 4.187 7.114 341 HA GLU 56 HA GLU 56 -8.038 4.449 4.721 342 HB2 GLU 56 2HB GLU 56 -8.921 3.596 7.489 343 HB3 GLU 56 1HB GLU 56 -9.948 3.509 6.071 344 HG2 GLU 56 2HG GLU 56 -7.306 2.120 6.286 345 HG3 GLU 56 1HG GLU 56 -8.836 1.355 6.751 346 H ASP 57 H ASP 57 -8.864 6.196 4.048 347 HA ASP 57 HA ASP 57 -9.027 8.565 5.610 348 HB2 ASP 57 2HB ASP 57 -8.420 8.510 3.177 349 HB3 ASP 57 1HB ASP 57 -10.126 8.076 2.938 350 H TYR 58 H TYR 58 -10.426 7.832 7.071 351 HA TYR 58 HA TYR 58 -13.096 8.836 6.534 352 HB2 TYR 58 2HB TYR 58 -12.933 6.187 6.469 353 HB3 TYR 58 1HB TYR 58 -12.919 6.365 8.220 354 HD1 TYR 58 1HD TYR 58 -14.840 7.197 5.179 355 HD2 TYR 58 2HD TYR 58 -14.965 6.669 9.394 356 HE1 TYR 58 1HE TYR 58 -17.283 7.316 5.107 357 HE2 TYR 58 2HE TYR 58 -17.426 6.791 9.337 358 HH TYR 58 HH TYR 58 -19.158 7.763 7.830 359 H VAL 59 H VAL 59 -12.277 10.588 7.637 360 HA VAL 59 HA VAL 59 -11.300 10.303 10.332 361 HB VAL 59 HB VAL 59 -12.002 12.836 8.801 362 HG11 VAL 59 1HG1 VAL 59 -10.351 12.454 11.301 363 HG12 VAL 59 2HG1 VAL 59 -11.951 13.186 11.212 364 HG13 VAL 59 3HG1 VAL 59 -10.572 13.978 10.438 365 HG21 VAL 59 3HG2 VAL 59 -9.320 11.491 9.159 366 HG22 VAL 59 1HG2 VAL 59 -9.590 13.048 8.377 367 HG23 VAL 59 2HG2 VAL 59 -10.242 11.575 7.660 Start of MODEL 19 1 H1 SER 8 1HT SER 8 -18.862 3.035 2.026 2 H2 SER 8 2HT SER 8 -19.045 1.889 0.787 3 H3 SER 8 3HT SER 8 -18.838 3.497 0.394 4 HA SER 8 HA SER 8 -16.628 3.464 1.258 5 HB2 SER 8 2HB SER 8 -17.034 1.706 2.998 6 HB3 SER 8 1HB SER 8 -17.181 0.511 1.713 7 HG SER 8 HG SER 8 -15.106 0.315 1.844 8 HA PRO 9 HA PRO 9 -16.122 2.195 -3.004 9 HB2 PRO 9 2HB PRO 9 -13.804 3.518 -3.461 10 HB3 PRO 9 1HB PRO 9 -15.361 4.349 -3.442 11 HG2 PRO 9 2HG PRO 9 -13.238 4.252 -1.353 12 HG3 PRO 9 1HG PRO 9 -14.312 5.587 -1.797 13 HD2 PRO 9 2HD PRO 9 -14.669 3.932 0.388 14 HD3 PRO 9 1HD PRO 9 -15.949 4.886 -0.380 15 HA PRO 10 HA PRO 10 -13.381 -1.203 -1.983 16 HB2 PRO 10 2HB PRO 10 -13.140 -2.207 -4.546 17 HB3 PRO 10 1HB PRO 10 -14.494 -2.575 -3.472 18 HG2 PRO 10 2HG PRO 10 -14.328 -0.603 -5.702 19 HG3 PRO 10 1HG PRO 10 -15.681 -1.644 -5.232 20 HD2 PRO 10 2HD PRO 10 -15.591 0.982 -4.634 21 HD3 PRO 10 1HD PRO 10 -16.366 -0.211 -3.571 22 H LYS 11 H LYS 11 -11.250 -1.034 -1.753 23 HA LYS 11 HA LYS 11 -9.900 0.698 -3.637 24 HB2 LYS 11 2HB LYS 11 -8.220 1.107 -1.830 25 HB3 LYS 11 1HB LYS 11 -9.847 1.666 -1.490 26 HG2 LYS 11 2HG LYS 11 -10.178 -0.325 -0.047 27 HG3 LYS 11 1HG LYS 11 -8.499 -0.785 -0.349 28 HD2 LYS 11 2HD LYS 11 -8.670 0.404 1.781 29 HD3 LYS 11 1HD LYS 11 -7.755 1.369 0.623 30 HE2 LYS 11 2HE LYS 11 -9.817 2.668 0.138 31 HE3 LYS 11 1HE LYS 11 -10.668 1.729 1.359 32 HZ1 LYS 11 3HZ LYS 11 -8.347 3.524 1.824 33 HZ2 LYS 11 1HZ LYS 11 -9.154 2.692 3.044 34 HZ3 LYS 11 2HZ LYS 11 -9.932 3.899 2.151 35 HA PRO 12 HA PRO 12 -7.322 -2.378 -5.323 36 HB2 PRO 12 2HB PRO 12 -4.942 -0.772 -4.677 37 HB3 PRO 12 1HB PRO 12 -5.512 -1.326 -6.244 38 HG2 PRO 12 2HG PRO 12 -5.726 1.242 -5.538 39 HG3 PRO 12 1HG PRO 12 -6.953 0.431 -6.524 40 HD2 PRO 12 2HD PRO 12 -7.023 1.185 -3.652 41 HD3 PRO 12 1HD PRO 12 -8.329 1.157 -4.851 42 H LYS 13 H LYS 13 -6.119 -4.098 -4.706 43 HA LYS 13 HA LYS 13 -4.938 -3.973 -2.063 44 HB2 LYS 13 2HB LYS 13 -5.584 -6.367 -1.701 45 HB3 LYS 13 1HB LYS 13 -6.931 -5.245 -1.735 46 HG2 LYS 13 2HG LYS 13 -7.334 -5.949 -4.089 47 HG3 LYS 13 1HG LYS 13 -6.101 -7.203 -3.873 48 HD2 LYS 13 2HD LYS 13 -7.376 -8.110 -2.002 49 HD3 LYS 13 1HD LYS 13 -8.589 -6.845 -2.208 50 HE2 LYS 13 2HE LYS 13 -8.971 -7.728 -4.519 51 HE3 LYS 13 1HE LYS 13 -7.911 -9.072 -4.111 52 HZ1 LYS 13 3HZ LYS 13 -9.447 -9.595 -2.249 53 HZ2 LYS 13 1HZ LYS 13 -10.181 -9.700 -3.761 54 HZ3 LYS 13 2HZ LYS 13 -10.470 -8.377 -2.785 55 H CYS 14 H CYS 14 -3.137 -5.298 -1.711 56 HA CYS 14 HA CYS 14 -1.734 -5.974 -4.193 57 HB2 CYS 14 2HB CYS 14 0.209 -4.664 -3.397 58 HB3 CYS 14 1HB CYS 14 -1.217 -3.686 -3.614 59 H ARG 15 H ARG 15 0.307 -7.149 -3.756 60 HA ARG 15 HA ARG 15 0.175 -8.853 -1.357 61 HB2 ARG 15 2HB ARG 15 0.902 -9.501 -4.228 62 HB3 ARG 15 1HB ARG 15 1.470 -10.494 -2.907 63 HG2 ARG 15 2HG ARG 15 -0.473 -11.473 -4.007 64 HG3 ARG 15 1HG ARG 15 -0.818 -11.080 -2.326 65 HD2 ARG 15 2HD ARG 15 -2.688 -10.552 -3.819 66 HD3 ARG 15 1HD ARG 15 -2.057 -9.117 -3.018 67 HE ARG 15 HE ARG 15 -0.790 -9.296 -5.469 68 HH11 ARG 15 1HH1 ARG 15 -4.128 -8.960 -4.350 69 HH12 ARG 15 2HH1 ARG 15 -4.650 -8.101 -5.727 70 HH21 ARG 15 1HH2 ARG 15 -1.507 -8.078 -7.343 71 HH22 ARG 15 2HH2 ARG 15 -3.132 -7.588 -7.454 72 H CYS 16 H CYS 16 1.502 -6.304 -1.886 73 HA CYS 16 HA CYS 16 4.238 -6.434 -2.352 74 HB2 CYS 16 2HB CYS 16 2.726 -4.618 -0.460 75 HB3 CYS 16 1HB CYS 16 4.377 -4.353 -0.986 76 H GLY 17 H GLY 17 5.950 -7.089 -1.156 77 HA2 GLY 17 2HA GLY 17 7.047 -7.430 0.949 78 HA3 GLY 17 1HA GLY 17 5.472 -7.781 1.657 79 H ILE 18 H ILE 18 4.504 -9.414 -0.360 80 HA ILE 18 HA ILE 18 5.894 -11.900 0.197 81 HB ILE 18 HB ILE 18 3.545 -11.435 -1.665 82 HG12 ILE 18 2HG1 ILE 18 3.486 -12.031 1.303 83 HG13 ILE 18 1HG1 ILE 18 3.001 -10.536 0.536 84 HG21 ILE 18 1HG2 ILE 18 4.664 -13.598 -1.907 85 HG22 ILE 18 2HG2 ILE 18 3.049 -13.793 -1.228 86 HG23 ILE 18 3HG2 ILE 18 4.460 -13.904 -0.178 87 HD11 ILE 18 3HD1 ILE 18 1.655 -13.191 0.106 88 HD12 ILE 18 1HD1 ILE 18 1.186 -11.655 -0.623 89 HD13 ILE 18 2HD1 ILE 18 1.060 -11.878 1.123 90 H SER 19 H SER 19 4.796 -10.027 -2.553 91 HA SER 19 HA SER 19 7.210 -10.698 -4.013 92 HB2 SER 19 2HB SER 19 4.396 -10.810 -5.142 93 HB3 SER 19 1HB SER 19 5.890 -11.081 -6.048 94 HG SER 19 HG SER 19 6.075 -12.687 -4.041 95 H GLY 20 H GLY 20 8.117 -8.769 -4.085 96 HA2 GLY 20 2HA GLY 20 7.577 -6.718 -5.647 97 HA3 GLY 20 1HA GLY 20 6.523 -6.362 -4.279 98 H SER 21 H SER 21 9.861 -7.389 -4.900 99 HA SER 21 HA SER 21 10.765 -6.226 -2.477 100 HB2 SER 21 2HB SER 21 13.040 -6.803 -3.497 101 HB3 SER 21 1HB SER 21 11.944 -8.148 -3.188 102 HG SER 21 HG SER 21 12.075 -6.823 -5.685 103 H SER 22 H SER 22 10.494 -4.125 -2.392 104 HA SER 22 HA SER 22 12.112 -2.449 -4.143 105 HB2 SER 22 2HB SER 22 9.188 -1.921 -3.479 106 HB3 SER 22 1HB SER 22 10.239 -0.871 -4.432 107 HG SER 22 HG SER 22 10.293 -3.386 -5.354 108 H ASN 23 H ASN 23 12.595 -3.469 -1.627 109 HA ASN 23 HA ASN 23 13.368 -2.984 0.409 110 HB2 ASN 23 2HB ASN 23 12.791 -0.112 -0.329 111 HB3 ASN 23 1HB ASN 23 13.396 -0.560 1.255 112 HD21 ASN 23 1HD2 ASN 23 14.126 -0.196 -2.078 113 HD22 ASN 23 2HD2 ASN 23 15.831 -0.420 -1.945 114 H THR 24 H THR 24 12.594 -3.242 2.389 115 HA THR 24 HA THR 24 9.788 -3.388 2.670 116 HB THR 24 HB THR 24 11.870 -3.570 4.875 117 HG1 THR 24 1HG THR 24 12.559 -5.231 3.761 118 HG21 THR 24 3HG2 THR 24 9.164 -4.905 4.525 119 HG22 THR 24 1HG2 THR 24 9.499 -3.567 5.626 120 HG23 THR 24 2HG2 THR 24 10.256 -5.136 5.891 121 H LEU 25 H LEU 25 11.904 -0.798 3.016 122 HA LEU 25 HA LEU 25 10.353 0.705 4.943 123 HB2 LEU 25 2HB LEU 25 12.549 1.546 3.064 124 HB3 LEU 25 1HB LEU 25 11.843 2.559 4.299 125 HG LEU 25 HG LEU 25 13.375 0.019 4.831 126 HD11 LEU 25 1HD1 LEU 25 15.141 1.527 5.620 127 HD12 LEU 25 2HD1 LEU 25 14.178 2.909 5.096 128 HD13 LEU 25 3HD1 LEU 25 14.796 1.765 3.907 129 HD21 LEU 25 3HD2 LEU 25 11.698 0.542 6.546 130 HD22 LEU 25 1HD2 LEU 25 12.353 2.170 6.690 131 HD23 LEU 25 2HD2 LEU 25 13.332 0.775 7.159 132 H THR 26 H THR 26 10.264 0.068 1.580 133 HA THR 26 HA THR 26 8.408 2.242 1.275 134 HB THR 26 HB THR 26 9.431 2.326 -1.173 135 HG1 THR 26 1HG THR 26 11.023 0.810 -1.003 136 HG21 THR 26 3HG2 THR 26 10.875 4.184 -0.429 137 HG22 THR 26 1HG2 THR 26 10.714 3.636 1.238 138 HG23 THR 26 2HG2 THR 26 9.304 4.241 0.368 139 H THR 27 H THR 27 8.144 -0.815 1.543 140 HA THR 27 HA THR 27 7.662 -2.184 -0.761 141 HB THR 27 HB THR 27 5.791 -2.595 1.509 142 HG1 THR 27 1HG THR 27 7.384 -2.975 2.945 143 HG21 THR 27 3HG2 THR 27 6.171 -4.243 -0.341 144 HG22 THR 27 1HG2 THR 27 6.536 -4.889 1.259 145 HG23 THR 27 2HG2 THR 27 7.842 -4.382 0.195 146 H CYS 28 H CYS 28 5.103 -0.805 1.259 147 HA CYS 28 HA CYS 28 3.365 -0.688 -1.024 148 HB2 CYS 28 2HB CYS 28 2.831 -0.469 1.910 149 HB3 CYS 28 1HB CYS 28 1.576 -0.117 0.724 150 H ARG 29 H ARG 29 5.530 1.232 0.125 151 HA ARG 29 HA ARG 29 4.077 3.769 -0.004 152 HB2 ARG 29 2HB ARG 29 5.398 3.274 1.960 153 HB3 ARG 29 1HB ARG 29 6.774 2.922 0.950 154 HG2 ARG 29 2HG ARG 29 6.883 5.324 0.353 155 HG3 ARG 29 1HG ARG 29 5.544 5.610 1.466 156 HD2 ARG 29 2HD ARG 29 6.768 4.947 3.341 157 HD3 ARG 29 1HD ARG 29 8.017 4.180 2.371 158 HE ARG 29 HE ARG 29 7.818 6.979 1.907 159 HH11 ARG 29 1HH1 ARG 29 9.208 4.521 4.085 160 HH12 ARG 29 2HH1 ARG 29 10.482 5.541 4.598 161 HH21 ARG 29 1HH2 ARG 29 9.624 8.285 2.568 162 HH22 ARG 29 2HH2 ARG 29 10.742 7.678 3.702 163 H ASN 30 H ASN 30 5.364 1.873 -2.278 164 HA ASN 30 HA ASN 30 6.624 4.146 -3.647 165 HB2 ASN 30 2HB ASN 30 8.158 2.738 -4.814 166 HB3 ASN 30 1HB ASN 30 8.193 2.166 -3.151 167 HD21 ASN 30 1HD2 ASN 30 7.337 0.149 -2.698 168 HD22 ASN 30 2HD2 ASN 30 6.938 -0.991 -3.929 169 H SER 31 H SER 31 6.534 3.721 -6.173 170 HA SER 31 HA SER 31 3.794 4.081 -6.729 171 HB2 SER 31 2HB SER 31 6.097 3.858 -8.640 172 HB3 SER 31 1HB SER 31 4.552 4.674 -8.908 173 HG SER 31 HG SER 31 5.065 6.121 -7.290 174 H ARG 32 H ARG 32 5.534 1.171 -6.590 175 HA ARG 32 HA ARG 32 4.080 -0.121 -8.751 176 HB2 ARG 32 2HB ARG 32 5.956 -1.252 -6.681 177 HB3 ARG 32 1HB ARG 32 5.278 -2.148 -8.039 178 HG2 ARG 32 2HG ARG 32 6.425 -0.781 -9.602 179 HG3 ARG 32 1HG ARG 32 6.948 0.311 -8.320 180 HD2 ARG 32 2HD ARG 32 8.278 -1.469 -7.336 181 HD3 ARG 32 1HD ARG 32 7.740 -2.577 -8.604 182 HE ARG 32 HE ARG 32 8.730 -0.537 -9.987 183 HH11 ARG 32 1HH1 ARG 32 10.114 -2.306 -7.261 184 HH12 ARG 32 2HH1 ARG 32 11.709 -2.252 -7.847 185 HH21 ARG 32 1HH2 ARG 32 10.873 -0.441 -10.798 186 HH22 ARG 32 2HH2 ARG 32 12.160 -1.154 -9.949 187 H CYS 33 H CYS 33 3.563 0.657 -5.560 188 HA CYS 33 HA CYS 33 1.823 -1.567 -5.047 189 HB2 CYS 33 2HB CYS 33 3.145 -0.584 -3.203 190 HB3 CYS 33 1HB CYS 33 2.335 0.957 -3.444 191 HA PRO 34 HA PRO 34 -1.266 0.547 -7.506 192 HB2 PRO 34 2HB PRO 34 -3.368 -1.070 -6.677 193 HB3 PRO 34 1HB PRO 34 -2.269 -1.455 -8.010 194 HG2 PRO 34 2HG PRO 34 -2.240 -2.356 -5.165 195 HG3 PRO 34 1HG PRO 34 -1.896 -3.284 -6.637 196 HD2 PRO 34 2HD PRO 34 0.055 -2.425 -5.060 197 HD3 PRO 34 1HD PRO 34 0.250 -2.413 -6.828 198 H CYS 35 H CYS 35 -1.465 -0.084 -4.166 199 HA CYS 35 HA CYS 35 -3.789 1.414 -3.509 200 HB2 CYS 35 2HB CYS 35 -1.429 0.644 -1.828 201 HB3 CYS 35 1HB CYS 35 -3.004 1.148 -1.226 202 H TYR 36 H TYR 36 -0.364 1.996 -2.927 203 HA TYR 36 HA TYR 36 -0.491 4.597 -1.960 204 HB2 TYR 36 2HB TYR 36 1.489 3.182 -1.769 205 HB3 TYR 36 1HB TYR 36 1.745 3.287 -3.507 206 HD1 TYR 36 2HD TYR 36 1.786 5.195 -0.353 207 HD2 TYR 36 1HD TYR 36 2.847 5.172 -4.471 208 HE1 TYR 36 2HE TYR 36 3.146 7.211 -0.009 209 HE2 TYR 36 1HE TYR 36 4.205 7.180 -4.149 210 HH TYR 36 HH TYR 36 4.236 9.093 -2.516 211 H LYS 37 H LYS 37 -0.014 3.492 -5.285 212 HA LYS 37 HA LYS 37 0.273 6.150 -6.289 213 HB2 LYS 37 2HB LYS 37 0.849 3.628 -7.235 214 HB3 LYS 37 1HB LYS 37 -0.524 4.091 -8.224 215 HG2 LYS 37 2HG LYS 37 1.997 5.722 -7.919 216 HG3 LYS 37 1HG LYS 37 1.664 4.610 -9.245 217 HD2 LYS 37 2HD LYS 37 -0.290 5.965 -9.878 218 HD3 LYS 37 1HD LYS 37 0.050 7.065 -8.544 219 HE2 LYS 37 2HE LYS 37 2.150 7.702 -9.537 220 HE3 LYS 37 1HE LYS 37 1.959 6.500 -10.811 221 HZ1 LYS 37 3HZ LYS 37 0.230 8.904 -10.415 222 HZ2 LYS 37 1HZ LYS 37 0.012 7.714 -11.593 223 HZ3 LYS 37 2HZ LYS 37 1.382 8.667 -11.624 224 H SER 38 H SER 38 -2.372 4.383 -5.308 225 HA SER 38 HA SER 38 -4.231 6.002 -6.902 226 HB2 SER 38 2HB SER 38 -4.487 3.477 -6.864 227 HB3 SER 38 1HB SER 38 -4.829 3.600 -5.143 228 HG SER 38 HG SER 38 -6.446 3.906 -7.228 229 H TYR 39 H TYR 39 -2.511 6.212 -4.174 230 HA TYR 39 HA TYR 39 -2.548 7.390 -2.290 231 HB2 TYR 39 2HB TYR 39 -4.976 8.719 -3.533 232 HB3 TYR 39 1HB TYR 39 -4.153 9.308 -2.090 233 HD1 TYR 39 1HD TYR 39 -3.805 8.752 -5.719 234 HD2 TYR 39 2HD TYR 39 -2.070 10.492 -2.250 235 HE1 TYR 39 1HE TYR 39 -2.192 9.919 -7.128 236 HE2 TYR 39 2HE TYR 39 -0.447 11.685 -3.660 237 HH TYR 39 HH TYR 39 -0.763 11.874 -7.052 238 H ASN 40 H ASN 40 -4.003 4.882 -2.519 239 HA ASN 40 HA ASN 40 -5.903 5.198 -0.338 240 HB2 ASN 40 2HB ASN 40 -5.653 3.031 -2.410 241 HB3 ASN 40 1HB ASN 40 -6.513 2.749 -0.904 242 HD21 ASN 40 1HD2 ASN 40 -6.645 4.188 -4.041 243 HD22 ASN 40 2HD2 ASN 40 -8.238 4.803 -3.883 244 H SER 41 H SER 41 -5.959 3.551 1.265 245 HA SER 41 HA SER 41 -3.377 2.936 2.347 246 HB2 SER 41 2HB SER 41 -4.979 2.141 4.160 247 HB3 SER 41 1HB SER 41 -4.976 3.873 3.788 248 HG SER 41 HG SER 41 -7.124 2.667 3.852 249 H CYS 42 H CYS 42 -3.334 0.735 3.474 250 HA CYS 42 HA CYS 42 -4.171 -1.228 1.526 251 HB2 CYS 42 2HB CYS 42 -1.917 -1.292 3.512 252 HB3 CYS 42 1HB CYS 42 -2.467 -2.732 2.647 253 H ALA 43 H ALA 43 -6.220 -0.891 2.479 254 HA ALA 43 HA ALA 43 -6.606 -2.591 4.845 255 HB1 ALA 43 1HB ALA 43 -7.584 -0.337 5.036 256 HB2 ALA 43 2HB ALA 43 -8.833 -1.580 5.037 257 HB3 ALA 43 3HB ALA 43 -8.538 -0.629 3.583 258 H GLY 44 H GLY 44 -6.828 -4.630 4.190 259 HA2 GLY 44 2HA GLY 44 -8.330 -6.279 3.283 260 HA3 GLY 44 1HA GLY 44 -8.734 -5.128 2.016 261 H CYS 45 H CYS 45 -5.484 -5.209 2.810 262 HA CYS 45 HA CYS 45 -4.902 -6.482 0.258 263 HB2 CYS 45 2HB CYS 45 -3.136 -4.884 2.099 264 HB3 CYS 45 1HB CYS 45 -2.660 -5.535 0.536 265 H HIS 46 H HIS 46 -2.833 -7.772 0.276 266 HA HIS 46 HA HIS 46 -2.771 -9.434 2.681 267 HB2 HIS 46 2HB HIS 46 -2.472 -10.231 -0.240 268 HB3 HIS 46 1HB HIS 46 -2.064 -11.293 1.101 269 HD1 HIS 46 1HD HIS 46 -3.867 -13.032 1.247 270 HD2 HIS 46 2HD HIS 46 -5.433 -9.279 0.386 271 HE1 HIS 46 1HE HIS 46 -6.345 -13.334 1.186 272 HE2 HIS 46 2HE HIS 46 -7.284 -11.056 0.713 273 H CYS 47 H CYS 47 -1.383 -7.036 1.947 274 HA CYS 47 HA CYS 47 1.270 -7.694 1.154 275 HB2 CYS 47 2HB CYS 47 1.760 -5.309 1.746 276 HB3 CYS 47 1HB CYS 47 0.545 -5.519 0.505 277 H VAL 48 H VAL 48 3.082 -7.616 2.297 278 HA VAL 48 HA VAL 48 2.901 -7.957 5.202 279 HB VAL 48 HB VAL 48 4.709 -9.349 3.187 280 HG11 VAL 48 1HG1 VAL 48 5.611 -10.610 5.073 281 HG12 VAL 48 2HG1 VAL 48 4.646 -9.635 6.183 282 HG13 VAL 48 3HG1 VAL 48 5.929 -8.883 5.236 283 HG21 VAL 48 3HG2 VAL 48 2.455 -10.274 3.230 284 HG22 VAL 48 1HG2 VAL 48 2.553 -10.471 4.978 285 HG23 VAL 48 2HG2 VAL 48 3.605 -11.418 3.925 286 H GLY 49 H GLY 49 4.363 -6.701 6.331 287 HA2 GLY 49 2HA GLY 49 6.013 -5.113 6.720 288 HA3 GLY 49 1HA GLY 49 6.756 -5.621 5.200 289 H CYS 50 H CYS 50 3.562 -4.389 5.809 290 HA CYS 50 HA CYS 50 3.675 -2.687 3.555 291 HB2 CYS 50 2HB CYS 50 1.621 -3.771 3.980 292 HB3 CYS 50 1HB CYS 50 1.603 -3.222 5.651 293 H LYS 51 H LYS 51 4.879 -0.938 3.767 294 HA LYS 51 HA LYS 51 4.224 0.823 6.009 295 HB2 LYS 51 2HB LYS 51 6.398 1.029 3.916 296 HB3 LYS 51 1HB LYS 51 6.118 2.184 5.205 297 HG2 LYS 51 2HG LYS 51 6.928 -0.684 5.568 298 HG3 LYS 51 1HG LYS 51 8.007 0.708 5.649 299 HD2 LYS 51 2HD LYS 51 6.554 1.581 7.515 300 HD3 LYS 51 1HD LYS 51 5.727 0.019 7.500 301 HE2 LYS 51 2HE LYS 51 7.466 0.046 9.197 302 HE3 LYS 51 1HE LYS 51 7.870 -1.099 7.913 303 HZ1 LYS 51 3HZ LYS 51 9.796 0.217 8.486 304 HZ2 LYS 51 1HZ LYS 51 8.954 1.649 8.205 305 HZ3 LYS 51 2HZ LYS 51 9.300 0.623 6.933 306 H ASN 52 H ASN 52 2.217 1.445 5.206 307 HA ASN 52 HA ASN 52 2.364 2.956 2.712 308 HB2 ASN 52 2HB ASN 52 0.704 1.050 2.792 309 HB3 ASN 52 1HB ASN 52 -0.160 1.896 4.055 310 HD21 ASN 52 1HD2 ASN 52 -1.164 1.121 1.515 311 HD22 ASN 52 2HD2 ASN 52 -1.620 2.575 0.694 312 HA PRO 53 HA PRO 53 2.126 6.484 5.581 313 HB2 PRO 53 2HB PRO 53 1.590 7.858 2.986 314 HB3 PRO 53 1HB PRO 53 2.738 8.288 4.257 315 HG2 PRO 53 2HG PRO 53 3.619 7.198 2.015 316 HG3 PRO 53 1HG PRO 53 4.293 6.693 3.573 317 HD2 PRO 53 2HD PRO 53 2.324 5.279 1.825 318 HD3 PRO 53 1HD PRO 53 3.676 4.623 2.766 319 H HIS 54 H HIS 54 -0.111 5.475 3.139 320 HA HIS 54 HA HIS 54 -2.230 7.169 4.117 321 HB2 HIS 54 2HB HIS 54 -2.255 5.052 1.954 322 HB3 HIS 54 1HB HIS 54 -3.633 6.061 2.380 323 HD1 HIS 54 1HD HIS 54 -3.393 8.641 1.809 324 HD2 HIS 54 2HD HIS 54 -0.423 6.188 0.257 325 HE1 HIS 54 1HE HIS 54 -2.263 9.987 0.026 326 HE2 HIS 54 2HE HIS 54 -0.372 8.578 -0.765 327 H LYS 55 H LYS 55 -4.192 6.297 4.926 328 HA LYS 55 HA LYS 55 -4.090 3.683 6.107 329 HB2 LYS 55 2HB LYS 55 -4.234 4.746 8.413 330 HB3 LYS 55 1HB LYS 55 -2.655 4.715 7.636 331 HG2 LYS 55 2HG LYS 55 -3.133 7.046 6.826 332 HG3 LYS 55 1HG LYS 55 -4.518 7.050 7.915 333 HD2 LYS 55 2HD LYS 55 -3.116 6.704 9.796 334 HD3 LYS 55 1HD LYS 55 -1.717 6.448 8.742 335 HE2 LYS 55 2HE LYS 55 -3.274 9.027 9.016 336 HE3 LYS 55 1HE LYS 55 -1.696 8.702 9.732 337 HZ1 LYS 55 3HZ LYS 55 -1.368 9.939 7.741 338 HZ2 LYS 55 1HZ LYS 55 -2.319 8.886 6.825 339 HZ3 LYS 55 2HZ LYS 55 -0.843 8.374 7.430 340 H GLU 56 H GLU 56 -6.065 3.611 7.741 341 HA GLU 56 HA GLU 56 -8.293 4.789 6.343 342 HB2 GLU 56 2HB GLU 56 -8.229 3.031 8.813 343 HB3 GLU 56 1HB GLU 56 -9.688 3.574 7.996 344 HG2 GLU 56 2HG GLU 56 -7.543 1.938 6.748 345 HG3 GLU 56 1HG GLU 56 -9.032 1.252 7.432 346 H ASP 57 H ASP 57 -7.875 6.816 6.657 347 HA ASP 57 HA ASP 57 -8.616 7.986 9.251 348 HB2 ASP 57 2HB ASP 57 -6.053 7.875 8.944 349 HB3 ASP 57 1HB ASP 57 -6.307 9.005 7.615 350 H TYR 58 H TYR 58 -10.142 9.391 8.843 351 HA TYR 58 HA TYR 58 -11.075 9.887 6.249 352 HB2 TYR 58 2HB TYR 58 -12.515 9.838 8.253 353 HB3 TYR 58 1HB TYR 58 -11.780 11.337 8.805 354 HD1 TYR 58 1HD TYR 58 -13.442 9.972 5.764 355 HD2 TYR 58 2HD TYR 58 -12.952 13.284 8.375 356 HE1 TYR 58 1HE TYR 58 -15.122 11.211 4.496 357 HE2 TYR 58 2HE TYR 58 -14.639 14.537 7.105 358 HH TYR 58 HH TYR 58 -15.593 14.549 4.915 359 H VAL 59 H VAL 59 -10.340 11.203 4.813 360 HA VAL 59 HA VAL 59 -8.305 13.054 5.320 361 HB VAL 59 HB VAL 59 -8.396 11.928 3.175 362 HG11 VAL 59 1HG1 VAL 59 -10.039 12.444 1.448 363 HG12 VAL 59 2HG1 VAL 59 -10.922 13.445 2.595 364 HG13 VAL 59 3HG1 VAL 59 -10.788 11.709 2.868 365 HG21 VAL 59 3HG2 VAL 59 -8.753 14.905 2.862 366 HG22 VAL 59 1HG2 VAL 59 -8.056 13.834 1.645 367 HG23 VAL 59 2HG2 VAL 59 -7.248 14.042 3.196 Start of MODEL 20 1 H1 SER 8 1HT SER 8 -19.333 -1.032 1.642 2 H2 SER 8 2HT SER 8 -20.329 0.000 0.752 3 H3 SER 8 3HT SER 8 -19.997 0.327 2.384 4 HA SER 8 HA SER 8 -18.759 1.759 0.984 5 HB2 SER 8 2HB SER 8 -17.135 -0.344 2.418 6 HB3 SER 8 1HB SER 8 -16.617 1.312 2.072 7 HG SER 8 HG SER 8 -17.620 0.708 4.235 8 HA PRO 9 HA PRO 9 -17.346 -0.008 -2.847 9 HB2 PRO 9 2HB PRO 9 -15.660 1.984 -3.628 10 HB3 PRO 9 1HB PRO 9 -17.419 2.141 -3.712 11 HG2 PRO 9 2HG PRO 9 -15.526 3.176 -1.643 12 HG3 PRO 9 1HG PRO 9 -16.913 3.986 -2.397 13 HD2 PRO 9 2HD PRO 9 -17.044 2.869 0.061 14 HD3 PRO 9 1HD PRO 9 -18.434 2.914 -1.044 15 HA PRO 10 HA PRO 10 -13.551 -1.941 -1.546 16 HB2 PRO 10 2HB PRO 10 -12.912 -3.211 -3.855 17 HB3 PRO 10 1HB PRO 10 -14.198 -3.775 -2.782 18 HG2 PRO 10 2HG PRO 10 -14.404 -2.194 -5.312 19 HG3 PRO 10 1HG PRO 10 -15.421 -3.525 -4.736 20 HD2 PRO 10 2HD PRO 10 -16.138 -0.912 -4.545 21 HD3 PRO 10 1HD PRO 10 -16.676 -2.148 -3.392 22 H LYS 11 H LYS 11 -11.272 -1.817 -1.916 23 HA LYS 11 HA LYS 11 -10.476 0.295 -3.764 24 HB2 LYS 11 2HB LYS 11 -8.923 1.121 -2.025 25 HB3 LYS 11 1HB LYS 11 -10.603 1.216 -1.538 26 HG2 LYS 11 2HG LYS 11 -10.296 -0.803 -0.171 27 HG3 LYS 11 1HG LYS 11 -8.589 -0.839 -0.626 28 HD2 LYS 11 2HD LYS 11 -8.829 0.206 1.551 29 HD3 LYS 11 1HD LYS 11 -8.336 1.424 0.377 30 HE2 LYS 11 2HE LYS 11 -10.679 2.160 0.167 31 HE3 LYS 11 1HE LYS 11 -11.156 0.953 1.356 32 HZ1 LYS 11 3HZ LYS 11 -10.963 3.127 2.277 33 HZ2 LYS 11 1HZ LYS 11 -9.349 3.257 1.821 34 HZ3 LYS 11 2HZ LYS 11 -9.817 2.131 3.004 35 HA PRO 12 HA PRO 12 -7.213 -2.228 -5.311 36 HB2 PRO 12 2HB PRO 12 -5.164 -0.392 -4.185 37 HB3 PRO 12 1HB PRO 12 -5.362 -0.981 -5.838 38 HG2 PRO 12 2HG PRO 12 -6.059 1.503 -5.228 39 HG3 PRO 12 1HG PRO 12 -7.051 0.527 -6.325 40 HD2 PRO 12 2HD PRO 12 -7.518 1.207 -3.454 41 HD3 PRO 12 1HD PRO 12 -8.679 1.091 -4.782 42 H LYS 13 H LYS 13 -5.754 -3.787 -4.762 43 HA LYS 13 HA LYS 13 -4.946 -4.005 -1.985 44 HB2 LYS 13 2HB LYS 13 -5.442 -6.447 -1.988 45 HB3 LYS 13 1HB LYS 13 -6.882 -5.464 -2.043 46 HG2 LYS 13 2HG LYS 13 -5.657 -6.751 -4.489 47 HG3 LYS 13 1HG LYS 13 -6.864 -7.548 -3.486 48 HD2 LYS 13 2HD LYS 13 -7.281 -4.888 -4.861 49 HD3 LYS 13 1HD LYS 13 -7.799 -6.433 -5.531 50 HE2 LYS 13 2HE LYS 13 -9.287 -6.790 -3.657 51 HE3 LYS 13 1HE LYS 13 -8.672 -5.348 -2.856 52 HZ1 LYS 13 3HZ LYS 13 -9.996 -5.240 -5.487 53 HZ2 LYS 13 1HZ LYS 13 -9.668 -3.968 -4.427 54 HZ3 LYS 13 2HZ LYS 13 -10.849 -5.122 -4.040 55 H CYS 14 H CYS 14 -3.110 -5.309 -1.682 56 HA CYS 14 HA CYS 14 -1.611 -5.975 -4.061 57 HB2 CYS 14 2HB CYS 14 0.329 -4.608 -3.269 58 HB3 CYS 14 1HB CYS 14 -1.070 -3.651 -3.704 59 H ARG 15 H ARG 15 0.495 -6.988 -3.371 60 HA ARG 15 HA ARG 15 0.136 -8.593 -0.911 61 HB2 ARG 15 2HB ARG 15 1.130 -9.500 -3.627 62 HB3 ARG 15 1HB ARG 15 1.036 -10.512 -2.190 63 HG2 ARG 15 2HG ARG 15 -1.354 -10.371 -2.173 64 HG3 ARG 15 1HG ARG 15 -1.332 -9.179 -3.471 65 HD2 ARG 15 2HD ARG 15 -0.342 -10.897 -4.951 66 HD3 ARG 15 1HD ARG 15 -0.499 -12.066 -3.648 67 HE ARG 15 HE ARG 15 -2.885 -11.756 -3.729 68 HH11 ARG 15 1HH1 ARG 15 -1.072 -10.634 -6.567 69 HH12 ARG 15 2HH1 ARG 15 -2.435 -10.623 -7.580 70 HH21 ARG 15 1HH2 ARG 15 -4.713 -11.741 -5.119 71 HH22 ARG 15 2HH2 ARG 15 -4.560 -11.279 -6.759 72 H CYS 16 H CYS 16 1.650 -6.179 -1.601 73 HA CYS 16 HA CYS 16 4.377 -6.544 -2.004 74 HB2 CYS 16 2HB CYS 16 3.064 -4.445 -0.269 75 HB3 CYS 16 1HB CYS 16 4.644 -4.341 -1.036 76 H GLY 17 H GLY 17 5.547 -7.939 -0.810 77 HA2 GLY 17 2HA GLY 17 6.739 -7.809 1.425 78 HA3 GLY 17 1HA GLY 17 5.122 -7.907 2.101 79 H ILE 18 H ILE 18 4.184 -9.856 0.065 80 HA ILE 18 HA ILE 18 4.956 -12.273 1.307 81 HB ILE 18 HB ILE 18 3.845 -11.871 -1.500 82 HG12 ILE 18 2HG1 ILE 18 2.498 -10.717 0.187 83 HG13 ILE 18 1HG1 ILE 18 1.624 -12.055 -0.523 84 HG21 ILE 18 1HG2 ILE 18 3.673 -14.261 0.340 85 HG22 ILE 18 2HG2 ILE 18 4.670 -14.141 -1.108 86 HG23 ILE 18 3HG2 ILE 18 2.911 -14.122 -1.246 87 HD11 ILE 18 3HD1 ILE 18 1.924 -13.368 1.468 88 HD12 ILE 18 1HD1 ILE 18 1.322 -11.775 1.917 89 HD13 ILE 18 2HD1 ILE 18 3.025 -12.163 2.153 90 H SER 19 H SER 19 5.870 -10.691 -1.654 91 HA SER 19 HA SER 19 8.470 -11.962 -1.451 92 HB2 SER 19 2HB SER 19 7.189 -12.738 -3.485 93 HB3 SER 19 1HB SER 19 7.057 -11.058 -3.997 94 HG SER 19 HG SER 19 9.494 -12.427 -3.547 95 H GLY 20 H GLY 20 9.140 -10.284 -0.135 96 HA2 GLY 20 2HA GLY 20 9.345 -7.695 -1.457 97 HA3 GLY 20 1HA GLY 20 8.555 -7.772 0.109 98 H SER 21 H SER 21 11.335 -9.682 -0.902 99 HA SER 21 HA SER 21 12.834 -8.544 1.273 100 HB2 SER 21 2HB SER 21 13.738 -10.443 -0.915 101 HB3 SER 21 1HB SER 21 14.566 -10.124 0.614 102 HG SER 21 HG SER 21 12.456 -10.802 1.563 103 H SER 22 H SER 22 12.614 -8.366 -2.205 104 HA SER 22 HA SER 22 14.431 -6.126 -2.306 105 HB2 SER 22 2HB SER 22 12.473 -7.193 -4.383 106 HB3 SER 22 1HB SER 22 13.829 -6.099 -4.675 107 HG SER 22 HG SER 22 14.734 -8.269 -3.443 108 H ASN 23 H ASN 23 13.669 -4.292 -1.427 109 HA ASN 23 HA ASN 23 12.373 -2.573 -0.795 110 HB2 ASN 23 2HB ASN 23 10.263 -3.711 -2.664 111 HB3 ASN 23 1HB ASN 23 10.029 -2.246 -1.721 112 HD21 ASN 23 1HD2 ASN 23 10.063 -2.725 -4.594 113 HD22 ASN 23 2HD2 ASN 23 11.250 -1.642 -5.227 114 H THR 24 H THR 24 12.489 -3.419 1.262 115 HA THR 24 HA THR 24 10.125 -4.910 2.165 116 HB THR 24 HB THR 24 12.654 -4.401 3.759 117 HG1 THR 24 1HG THR 24 12.005 -6.354 1.813 118 HG21 THR 24 3HG2 THR 24 10.558 -6.581 3.839 119 HG22 THR 24 1HG2 THR 24 10.705 -5.254 4.988 120 HG23 THR 24 2HG2 THR 24 11.974 -6.479 4.877 121 H LEU 25 H LEU 25 11.640 -1.842 2.292 122 HA LEU 25 HA LEU 25 9.884 -0.979 4.474 123 HB2 LEU 25 2HB LEU 25 12.347 0.379 3.342 124 HB3 LEU 25 1HB LEU 25 11.288 1.102 4.524 125 HG LEU 25 HG LEU 25 11.905 -0.826 6.069 126 HD11 LEU 25 1HD1 LEU 25 14.015 -1.971 5.662 127 HD12 LEU 25 2HD1 LEU 25 14.109 -1.236 4.063 128 HD13 LEU 25 3HD1 LEU 25 12.808 -2.369 4.438 129 HD21 LEU 25 3HD2 LEU 25 14.015 0.222 6.742 130 HD22 LEU 25 1HD2 LEU 25 12.767 1.413 6.369 131 HD23 LEU 25 2HD2 LEU 25 14.058 1.094 5.208 132 H THR 26 H THR 26 10.879 -0.341 1.200 133 HA THR 26 HA THR 26 8.785 1.661 0.908 134 HB THR 26 HB THR 26 10.731 0.766 -1.239 135 HG1 THR 26 1HG THR 26 12.288 1.749 -0.202 136 HG21 THR 26 3HG2 THR 26 8.904 2.346 -1.859 137 HG22 THR 26 1HG2 THR 26 10.498 3.092 -1.993 138 HG23 THR 26 2HG2 THR 26 9.471 3.455 -0.609 139 H THR 27 H THR 27 8.171 -1.209 1.350 140 HA THR 27 HA THR 27 7.587 -2.790 -0.816 141 HB THR 27 HB THR 27 5.585 -2.877 1.225 142 HG1 THR 27 1HG THR 27 7.110 -3.019 3.031 143 HG21 THR 27 3HG2 THR 27 6.465 -4.851 0.043 144 HG22 THR 27 1HG2 THR 27 6.671 -5.016 1.781 145 HG23 THR 27 2HG2 THR 27 8.053 -4.588 0.769 146 H CYS 28 H CYS 28 5.274 -0.958 1.090 147 HA CYS 28 HA CYS 28 3.544 -0.739 -1.183 148 HB2 CYS 28 2HB CYS 28 3.045 -0.328 1.739 149 HB3 CYS 28 1HB CYS 28 1.862 0.127 0.502 150 H ARG 29 H ARG 29 5.945 1.080 -0.053 151 HA ARG 29 HA ARG 29 4.527 3.600 -0.435 152 HB2 ARG 29 2HB ARG 29 5.956 3.281 1.598 153 HB3 ARG 29 1HB ARG 29 7.361 3.231 0.546 154 HG2 ARG 29 2HG ARG 29 6.938 5.499 -0.181 155 HG3 ARG 29 1HG ARG 29 5.474 5.562 0.791 156 HD2 ARG 29 2HD ARG 29 6.842 5.221 2.810 157 HD3 ARG 29 1HD ARG 29 8.292 5.261 1.806 158 HE ARG 29 HE ARG 29 6.891 7.538 1.195 159 HH11 ARG 29 1HH1 ARG 29 8.420 6.246 4.114 160 HH12 ARG 29 2HH1 ARG 29 8.709 7.789 4.778 161 HH21 ARG 29 1HH2 ARG 29 7.279 9.596 2.104 162 HH22 ARG 29 2HH2 ARG 29 8.067 9.753 3.601 163 H ASN 30 H ASN 30 6.081 1.556 -2.420 164 HA ASN 30 HA ASN 30 7.413 3.672 -3.917 165 HB2 ASN 30 2HB ASN 30 8.273 1.983 -5.456 166 HB3 ASN 30 1HB ASN 30 8.542 1.426 -3.821 167 HD21 ASN 30 1HD2 ASN 30 7.493 -0.377 -3.108 168 HD22 ASN 30 2HD2 ASN 30 6.574 -1.409 -4.137 169 H SER 31 H SER 31 6.909 3.902 -6.315 170 HA SER 31 HA SER 31 4.162 4.553 -6.449 171 HB2 SER 31 2HB SER 31 4.971 5.260 -8.814 172 HB3 SER 31 1HB SER 31 5.578 6.116 -7.394 173 HG SER 31 HG SER 31 6.920 4.600 -9.197 174 H ARG 32 H ARG 32 5.563 1.580 -6.974 175 HA ARG 32 HA ARG 32 3.687 0.961 -9.099 176 HB2 ARG 32 2HB ARG 32 5.976 -0.651 -7.980 177 HB3 ARG 32 1HB ARG 32 4.871 -1.222 -9.222 178 HG2 ARG 32 2HG ARG 32 5.597 0.580 -10.697 179 HG3 ARG 32 1HG ARG 32 6.707 1.149 -9.455 180 HD2 ARG 32 2HD ARG 32 6.767 -1.589 -10.692 181 HD3 ARG 32 1HD ARG 32 7.823 -0.255 -11.162 182 HE ARG 32 HE ARG 32 8.440 -0.319 -8.684 183 HH11 ARG 32 1HH1 ARG 32 7.661 -3.226 -10.574 184 HH12 ARG 32 2HH1 ARG 32 8.734 -4.215 -9.697 185 HH21 ARG 32 1HH2 ARG 32 9.964 -1.700 -7.563 186 HH22 ARG 32 2HH2 ARG 32 10.078 -3.344 -8.003 187 H CYS 33 H CYS 33 3.578 1.189 -5.868 188 HA CYS 33 HA CYS 33 2.070 -1.230 -5.455 189 HB2 CYS 33 2HB CYS 33 3.407 -0.294 -3.577 190 HB3 CYS 33 1HB CYS 33 2.470 1.189 -3.654 191 HA PRO 34 HA PRO 34 -1.368 0.672 -7.510 192 HB2 PRO 34 2HB PRO 34 -3.300 -1.068 -6.501 193 HB3 PRO 34 1HB PRO 34 -2.330 -1.349 -7.950 194 HG2 PRO 34 2HG PRO 34 -1.957 -2.363 -5.178 195 HG3 PRO 34 1HG PRO 34 -1.674 -3.190 -6.718 196 HD2 PRO 34 2HD PRO 34 0.342 -2.238 -5.245 197 HD3 PRO 34 1HD PRO 34 0.393 -2.177 -7.023 198 H CYS 35 H CYS 35 -1.463 -0.075 -4.117 199 HA CYS 35 HA CYS 35 -3.759 1.464 -3.447 200 HB2 CYS 35 2HB CYS 35 -1.440 0.545 -1.792 201 HB3 CYS 35 1HB CYS 35 -2.903 1.265 -1.136 202 H TYR 36 H TYR 36 -0.333 2.033 -2.999 203 HA TYR 36 HA TYR 36 -0.348 4.537 -1.831 204 HB2 TYR 36 2HB TYR 36 1.617 3.036 -2.043 205 HB3 TYR 36 1HB TYR 36 1.705 3.433 -3.753 206 HD1 TYR 36 1HD TYR 36 1.950 4.866 -0.358 207 HD2 TYR 36 2HD TYR 36 2.865 5.365 -4.477 208 HE1 TYR 36 1HE TYR 36 3.380 6.789 0.196 209 HE2 TYR 36 2HE TYR 36 4.300 7.290 -3.923 210 HH TYR 36 HH TYR 36 4.466 8.921 -2.151 211 H LYS 37 H LYS 37 -0.065 3.795 -5.310 212 HA LYS 37 HA LYS 37 0.009 6.531 -6.024 213 HB2 LYS 37 2HB LYS 37 0.417 4.062 -7.305 214 HB3 LYS 37 1HB LYS 37 -0.836 4.877 -8.229 215 HG2 LYS 37 2HG LYS 37 1.869 6.076 -7.566 216 HG3 LYS 37 1HG LYS 37 1.545 5.175 -9.034 217 HD2 LYS 37 2HD LYS 37 1.419 7.474 -9.640 218 HD3 LYS 37 1HD LYS 37 -0.245 6.925 -9.551 219 HE2 LYS 37 2HE LYS 37 -0.466 7.969 -7.337 220 HE3 LYS 37 1HE LYS 37 1.225 8.475 -7.418 221 HZ1 LYS 37 3HZ LYS 37 -0.874 9.318 -9.333 222 HZ2 LYS 37 1HZ LYS 37 0.681 9.927 -9.251 223 HZ3 LYS 37 2HZ LYS 37 -0.421 10.237 -8.011 224 H SER 38 H SER 38 -2.571 4.265 -5.510 225 HA SER 38 HA SER 38 -4.550 5.927 -6.793 226 HB2 SER 38 2HB SER 38 -4.742 3.448 -6.816 227 HB3 SER 38 1HB SER 38 -4.859 3.454 -5.062 228 HG SER 38 HG SER 38 -6.651 4.768 -6.806 229 H TYR 39 H TYR 39 -2.854 6.065 -3.989 230 HA TYR 39 HA TYR 39 -2.903 7.319 -2.146 231 HB2 TYR 39 2HB TYR 39 -5.451 8.544 -3.250 232 HB3 TYR 39 1HB TYR 39 -4.443 9.224 -1.971 233 HD1 TYR 39 2HD TYR 39 -1.883 9.479 -2.704 234 HD2 TYR 39 1HD TYR 39 -5.170 9.407 -5.384 235 HE1 TYR 39 2HE TYR 39 -0.513 10.602 -4.384 236 HE2 TYR 39 1HE TYR 39 -3.802 10.525 -7.092 237 HH TYR 39 HH TYR 39 -1.824 11.945 -7.197 238 H ASN 40 H ASN 40 -4.307 4.775 -2.411 239 HA ASN 40 HA ASN 40 -6.379 4.989 -0.368 240 HB2 ASN 40 2HB ASN 40 -5.806 2.932 -2.451 241 HB3 ASN 40 1HB ASN 40 -6.612 2.435 -0.971 242 HD21 ASN 40 1HD2 ASN 40 -6.952 4.149 -4.001 243 HD22 ASN 40 2HD2 ASN 40 -8.615 4.461 -3.803 244 H SER 41 H SER 41 -6.510 3.213 1.191 245 HA SER 41 HA SER 41 -4.000 2.886 2.520 246 HB2 SER 41 2HB SER 41 -5.637 1.976 4.262 247 HB3 SER 41 1HB SER 41 -5.788 3.687 3.849 248 HG SER 41 HG SER 41 -7.779 2.182 3.848 249 H CYS 42 H CYS 42 -3.621 0.669 3.497 250 HA CYS 42 HA CYS 42 -4.283 -1.326 1.517 251 HB2 CYS 42 2HB CYS 42 -2.105 -1.292 3.600 252 HB3 CYS 42 1HB CYS 42 -2.523 -2.739 2.686 253 H ALA 43 H ALA 43 -6.347 -1.175 2.303 254 HA ALA 43 HA ALA 43 -6.853 -2.935 4.599 255 HB1 ALA 43 1HB ALA 43 -7.884 -0.715 4.805 256 HB2 ALA 43 2HB ALA 43 -9.108 -1.972 4.632 257 HB3 ALA 43 3HB ALA 43 -8.699 -0.950 3.260 258 H GLY 44 H GLY 44 -7.190 -4.916 3.967 259 HA2 GLY 44 2HA GLY 44 -8.484 -6.565 2.870 260 HA3 GLY 44 1HA GLY 44 -8.835 -5.398 1.594 261 H CYS 45 H CYS 45 -5.662 -5.399 2.665 262 HA CYS 45 HA CYS 45 -4.759 -6.548 0.137 263 HB2 CYS 45 2HB CYS 45 -3.280 -4.965 2.227 264 HB3 CYS 45 1HB CYS 45 -2.584 -5.565 0.729 265 H HIS 46 H HIS 46 -2.665 -7.754 0.274 266 HA HIS 46 HA HIS 46 -2.711 -9.595 2.567 267 HB2 HIS 46 2HB HIS 46 -3.417 -10.334 0.080 268 HB3 HIS 46 1HB HIS 46 -1.677 -10.374 -0.132 269 HD1 HIS 46 1HD HIS 46 -4.501 -12.271 1.258 270 HD2 HIS 46 2HD HIS 46 -0.368 -12.367 1.448 271 HE1 HIS 46 1HE HIS 46 -3.923 -14.501 2.213 272 HE2 HIS 46 2HE HIS 46 -1.423 -14.616 1.978 273 H CYS 47 H CYS 47 -1.331 -7.057 2.059 274 HA CYS 47 HA CYS 47 1.393 -7.720 1.427 275 HB2 CYS 47 2HB CYS 47 1.859 -5.309 1.919 276 HB3 CYS 47 1HB CYS 47 0.727 -5.570 0.614 277 H VAL 48 H VAL 48 3.154 -7.577 2.762 278 HA VAL 48 HA VAL 48 2.644 -7.744 5.649 279 HB VAL 48 HB VAL 48 4.411 -9.658 4.065 280 HG11 VAL 48 1HG1 VAL 48 4.698 -10.873 6.157 281 HG12 VAL 48 2HG1 VAL 48 3.703 -9.689 6.995 282 HG13 VAL 48 3HG1 VAL 48 5.259 -9.208 6.315 283 HG21 VAL 48 3HG2 VAL 48 1.760 -10.199 5.414 284 HG22 VAL 48 1HG2 VAL 48 2.799 -11.419 4.678 285 HG23 VAL 48 2HG2 VAL 48 2.059 -10.169 3.680 286 H GLY 49 H GLY 49 3.922 -6.267 6.577 287 HA2 GLY 49 2HA GLY 49 5.914 -5.063 6.989 288 HA3 GLY 49 1HA GLY 49 6.592 -5.737 5.503 289 H CYS 50 H CYS 50 3.531 -4.219 5.990 290 HA CYS 50 HA CYS 50 3.810 -2.641 3.632 291 HB2 CYS 50 2HB CYS 50 1.726 -3.658 3.928 292 HB3 CYS 50 1HB CYS 50 1.626 -3.150 5.607 293 H LYS 51 H LYS 51 5.050 -0.845 3.861 294 HA LYS 51 HA LYS 51 4.170 0.972 5.981 295 HB2 LYS 51 2HB LYS 51 6.614 1.105 4.196 296 HB3 LYS 51 1HB LYS 51 6.207 2.292 5.416 297 HG2 LYS 51 2HG LYS 51 6.419 0.522 7.136 298 HG3 LYS 51 1HG LYS 51 6.952 -0.586 5.871 299 HD2 LYS 51 2HD LYS 51 8.831 0.909 5.363 300 HD3 LYS 51 1HD LYS 51 8.281 2.006 6.627 301 HE2 LYS 51 2HE LYS 51 9.203 -0.835 7.015 302 HE3 LYS 51 1HE LYS 51 10.121 0.612 7.413 303 HZ1 LYS 51 3HZ LYS 51 7.606 -0.321 8.671 304 HZ2 LYS 51 1HZ LYS 51 8.291 1.188 8.983 305 HZ3 LYS 51 2HZ LYS 51 9.108 -0.240 9.389 306 H ASN 52 H ASN 52 2.295 1.577 5.017 307 HA ASN 52 HA ASN 52 2.583 3.094 2.547 308 HB2 ASN 52 2HB ASN 52 1.005 1.230 2.285 309 HB3 ASN 52 1HB ASN 52 0.089 1.790 3.675 310 HD21 ASN 52 1HD2 ASN 52 -1.729 1.838 2.292 311 HD22 ASN 52 2HD2 ASN 52 -2.032 3.145 1.213 312 HA PRO 53 HA PRO 53 1.943 6.481 5.438 313 HB2 PRO 53 2HB PRO 53 2.254 8.188 3.094 314 HB3 PRO 53 1HB PRO 53 3.256 8.105 4.540 315 HG2 PRO 53 2HG PRO 53 4.099 7.225 2.122 316 HG3 PRO 53 1HG PRO 53 4.651 6.522 3.647 317 HD2 PRO 53 2HD PRO 53 2.633 5.485 1.699 318 HD3 PRO 53 1HD PRO 53 3.839 4.612 2.677 319 H HIS 54 H HIS 54 0.233 5.594 2.625 320 HA HIS 54 HA HIS 54 -1.738 7.671 2.972 321 HB2 HIS 54 2HB HIS 54 -1.532 5.465 0.935 322 HB3 HIS 54 1HB HIS 54 -2.992 6.434 1.113 323 HD1 HIS 54 1HD HIS 54 -2.841 8.930 0.463 324 HD2 HIS 54 2HD HIS 54 0.611 6.757 -0.239 325 HE1 HIS 54 1HE HIS 54 -1.404 10.403 -0.943 326 HE2 HIS 54 2HE HIS 54 0.787 9.256 -0.852 327 H LYS 55 H LYS 55 -2.925 7.538 4.558 328 HA LYS 55 HA LYS 55 -3.963 4.958 5.473 329 HB2 LYS 55 2HB LYS 55 -4.322 7.686 6.735 330 HB3 LYS 55 1HB LYS 55 -4.546 6.121 7.493 331 HG2 LYS 55 2HG LYS 55 -1.926 7.372 6.675 332 HG3 LYS 55 1HG LYS 55 -2.525 7.149 8.315 333 HD2 LYS 55 2HD LYS 55 -2.428 4.723 8.018 334 HD3 LYS 55 1HD LYS 55 -1.858 4.946 6.362 335 HE2 LYS 55 2HE LYS 55 0.034 4.470 7.797 336 HE3 LYS 55 1HE LYS 55 0.118 6.136 7.244 337 HZ1 LYS 55 3HZ LYS 55 -0.708 6.889 9.323 338 HZ2 LYS 55 1HZ LYS 55 0.617 5.907 9.603 339 HZ3 LYS 55 2HZ LYS 55 -0.939 5.317 9.892 340 H GLU 56 H GLU 56 -6.378 4.961 5.908 341 HA GLU 56 HA GLU 56 -7.576 6.551 3.858 342 HB2 GLU 56 2HB GLU 56 -9.740 5.370 4.462 343 HB3 GLU 56 1HB GLU 56 -8.468 4.390 3.769 344 HG2 GLU 56 2HG GLU 56 -7.922 3.604 6.048 345 HG3 GLU 56 1HG GLU 56 -9.333 4.498 6.638 346 H ASP 57 H ASP 57 -7.248 8.384 4.470 347 HA ASP 57 HA ASP 57 -8.404 9.461 6.945 348 HB2 ASP 57 2HB ASP 57 -5.990 9.799 6.294 349 HB3 ASP 57 1HB ASP 57 -6.551 10.726 4.916 350 H TYR 58 H TYR 58 -8.806 9.125 3.705 351 HA TYR 58 HA TYR 58 -10.153 11.610 3.137 352 HB2 TYR 58 2HB TYR 58 -8.598 10.441 1.536 353 HB3 TYR 58 1HB TYR 58 -9.819 9.192 1.362 354 HD1 TYR 58 1HD TYR 58 -9.182 12.784 0.910 355 HD2 TYR 58 2HD TYR 58 -11.586 9.474 -0.190 356 HE1 TYR 58 1HE TYR 58 -10.191 14.122 -0.876 357 HE2 TYR 58 2HE TYR 58 -12.611 10.813 -1.983 358 HH TYR 58 HH TYR 58 -12.953 13.106 -2.579 359 H VAL 59 H VAL 59 -12.070 11.714 4.056 360 HA VAL 59 HA VAL 59 -14.018 9.688 3.376 361 HB VAL 59 HB VAL 59 -15.091 10.145 5.737 362 HG11 VAL 59 1HG1 VAL 59 -12.564 8.507 5.481 363 HG12 VAL 59 2HG1 VAL 59 -14.187 7.975 5.048 364 HG13 VAL 59 3HG1 VAL 59 -13.790 8.310 6.733 365 HG21 VAL 59 3HG2 VAL 59 -13.552 11.959 6.376 366 HG22 VAL 59 1HG2 VAL 59 -12.200 10.830 6.305 367 HG23 VAL 59 2HG2 VAL 59 -13.466 10.614 7.517
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