NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10753 | 1q7j | 5948 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1HT GLY 1 10.400 -4.036 -3.597 2 2H GLY 1 2HT GLY 1 10.643 -4.215 -1.925 3 3H GLY 1 3HT GLY 1 10.916 -5.525 -2.971 4 1HA GLY 1 1HA GLY 1 12.941 -4.813 -3.597 5 2HA GLY 1 2HA GLY 1 12.439 -3.122 -3.549 6 H LYS 2 H LYS 2 13.148 -1.939 -1.830 7 HA LYS 2 HA LYS 2 14.546 -3.360 0.349 8 1HB LYS 2 2HB LYS 2 14.455 -0.516 -0.611 9 2HB LYS 2 1HB LYS 2 15.042 -0.879 1.013 10 1HG LYS 2 2HG LYS 2 16.829 -0.807 -0.801 11 2HG LYS 2 1HG LYS 2 16.790 -2.281 0.167 12 1HD LYS 2 2HD LYS 2 15.552 -3.452 -1.566 13 2HD LYS 2 1HD LYS 2 15.409 -1.970 -2.513 14 1HE LYS 2 2HE LYS 2 18.181 -2.563 -1.805 15 2HE LYS 2 1HE LYS 2 17.440 -3.857 -2.746 16 1HZ LYS 2 1HZ LYS 2 18.467 -2.111 -4.123 17 2HZ LYS 2 2HZ LYS 2 17.362 -0.986 -3.491 18 3HZ LYS 2 3HZ LYS 2 16.808 -2.294 -4.423 19 H GLU 3 H GLU 3 13.106 -0.308 1.069 20 HA GLU 3 HA GLU 3 10.962 -1.659 2.635 21 1HB GLU 3 2HB GLU 3 11.473 -0.345 4.597 22 2HB GLU 3 1HB GLU 3 12.963 -1.137 4.082 23 1HG GLU 3 2HG GLU 3 13.318 1.062 2.685 24 2HG GLU 3 1HG GLU 3 12.179 1.752 3.842 25 H CYS 4 H CYS 4 10.717 -0.273 0.149 26 HA CYS 4 HA CYS 4 9.006 1.977 1.080 27 1HB CYS 4 2HB CYS 4 10.756 2.045 -1.397 28 2HB CYS 4 1HB CYS 4 9.660 3.320 -0.872 29 H ASP 5 H ASP 5 7.081 2.251 -0.157 30 HA ASP 5 HA ASP 5 6.509 0.029 -2.064 31 1HB ASP 5 2HB ASP 5 5.248 0.115 0.181 32 2HB ASP 5 1HB ASP 5 4.435 1.540 -0.468 33 H CYS 6 H CYS 6 6.707 3.437 -1.615 34 HA CYS 6 HA CYS 6 5.480 3.801 -4.317 35 1HB CYS 6 2HB CYS 6 4.402 5.806 -3.653 36 2HB CYS 6 1HB CYS 6 4.075 4.675 -2.344 37 H SER 7 H SER 7 6.268 5.932 -5.320 38 HA SER 7 HA SER 7 9.148 6.320 -4.607 39 1HB SER 7 2HB SER 7 9.534 6.825 -6.979 40 2HB SER 7 1HB SER 7 8.790 5.236 -6.814 41 HG SER 7 HG SER 7 7.782 6.531 -8.424 42 H SER 8 H SER 8 6.121 7.781 -4.635 43 HA SER 8 HA SER 8 7.341 10.498 -4.859 44 1HB SER 8 2HB SER 8 4.636 10.927 -4.936 45 2HB SER 8 1HB SER 8 5.652 10.750 -6.363 46 HG SER 8 HG SER 8 4.385 9.111 -6.744 47 HA PRO 9 HA PRO 9 6.483 10.797 -0.520 48 1HB PRO 9 2HB PRO 9 7.116 13.458 -0.270 49 2HB PRO 9 1HB PRO 9 8.330 12.174 -0.403 50 1HG PRO 9 2HG PRO 9 7.476 14.169 -2.448 51 2HG PRO 9 1HG PRO 9 9.022 13.321 -2.285 52 1HD PRO 9 2HD PRO 9 6.954 12.674 -4.112 53 2HD PRO 9 1HD PRO 9 8.361 11.663 -3.721 54 H GLU 10 H GLU 10 5.056 12.973 -2.905 55 HA GLU 10 HA GLU 10 3.078 14.036 -1.022 56 1HB GLU 10 2HB GLU 10 3.950 15.360 -2.964 57 2HB GLU 10 1HB GLU 10 3.139 14.229 -4.048 58 1HG GLU 10 2HG GLU 10 1.722 16.197 -3.689 59 2HG GLU 10 1HG GLU 10 0.971 14.776 -2.962 60 H ASN 11 H ASN 11 3.371 11.219 -2.948 61 HA ASN 11 HA ASN 11 0.662 10.759 -3.663 62 1HB ASN 11 2HB ASN 11 2.649 9.417 -4.438 63 2HB ASN 11 1HB ASN 11 2.671 8.646 -2.852 64 1HD2 ASN 11 1HD2 ASN 11 1.911 7.644 -5.709 65 2HD2 ASN 11 2HD2 ASN 11 0.415 6.881 -5.467 66 HA PRO 12 HA PRO 12 -0.893 10.145 0.482 67 1HB PRO 12 2HB PRO 12 -3.519 9.884 -0.277 68 2HB PRO 12 1HB PRO 12 -2.692 11.446 -0.139 69 1HG PRO 12 2HG PRO 12 -3.468 9.947 -2.593 70 2HG PRO 12 1HG PRO 12 -3.208 11.686 -2.376 71 1HD PRO 12 2HD PRO 12 -1.386 9.845 -3.552 72 2HD PRO 12 1HD PRO 12 -1.039 11.526 -3.091 73 H CYS 13 H CYS 13 0.276 7.846 -0.824 74 HA CYS 13 HA CYS 13 -1.551 5.746 0.202 75 1HB CYS 13 2HB CYS 13 -0.436 5.860 -2.602 76 2HB CYS 13 1HB CYS 13 -0.953 4.352 -1.859 77 H CYS 14 H CYS 14 1.043 6.985 1.057 78 HA CYS 14 HA CYS 14 2.323 4.519 1.789 79 1HB CYS 14 2HB CYS 14 4.400 4.700 0.578 80 2HB CYS 14 1HB CYS 14 3.082 4.727 -0.592 81 H ASP 15 H ASP 15 2.913 4.965 3.804 82 HA ASP 15 HA ASP 15 3.133 7.455 5.024 83 1HB ASP 15 2HB ASP 15 3.263 5.028 5.997 84 2HB ASP 15 1HB ASP 15 4.994 5.266 5.811 85 H ALA 16 H ALA 16 4.455 9.135 4.508 86 HA ALA 16 HA ALA 16 6.782 8.852 2.866 87 1HB ALA 16 1HB ALA 16 7.147 11.209 3.281 88 2HB ALA 16 2HB ALA 16 6.119 11.160 4.713 89 3HB ALA 16 3HB ALA 16 5.410 10.951 3.111 90 H ALA 17 H ALA 17 6.269 8.760 6.325 91 HA ALA 17 HA ALA 17 8.952 9.254 7.172 92 1HB ALA 17 1HB ALA 17 7.426 7.251 8.720 93 2HB ALA 17 2HB ALA 17 6.589 8.781 8.459 94 3HB ALA 17 3HB ALA 17 8.164 8.762 9.253 95 H THR 18 H THR 18 7.267 6.162 6.513 96 HA THR 18 HA THR 18 9.940 4.840 6.447 97 HB THR 18 HB THR 18 8.868 2.818 6.971 98 HG1 THR 18 HG1 THR 18 6.878 2.353 6.346 99 1HG2 THR 18 1HG2 THR 18 8.729 4.385 8.854 100 2HG2 THR 18 2HG2 THR 18 7.313 3.334 8.828 101 3HG2 THR 18 3HG2 THR 18 7.189 4.995 8.247 102 H CYS 19 H CYS 19 8.564 6.504 4.298 103 HA CYS 19 HA CYS 19 8.001 6.348 2.005 104 1HB CYS 19 2HB CYS 19 9.837 5.496 0.704 105 2HB CYS 19 1HB CYS 19 10.524 6.214 2.158 106 H LYS 20 H LYS 20 6.732 4.166 3.730 107 HA LYS 20 HA LYS 20 6.528 2.077 1.600 108 1HB LYS 20 2HB LYS 20 6.345 1.981 4.583 109 2HB LYS 20 1HB LYS 20 5.381 0.836 3.649 110 1HG LYS 20 2HG LYS 20 7.607 0.401 2.349 111 2HG LYS 20 1HG LYS 20 8.375 1.126 3.762 112 1HD LYS 20 2HD LYS 20 6.961 -0.516 5.154 113 2HD LYS 20 1HD LYS 20 6.672 -1.363 3.635 114 1HE LYS 20 2HE LYS 20 9.260 -1.268 3.358 115 2HE LYS 20 1HE LYS 20 9.273 -0.946 5.091 116 1HZ LYS 20 1HZ LYS 20 8.036 -3.288 3.748 117 2HZ LYS 20 2HZ LYS 20 7.954 -2.966 5.414 118 3HZ LYS 20 3HZ LYS 20 9.451 -3.299 4.683 119 H LEU 21 H LEU 21 4.235 0.984 1.707 120 HA LEU 21 HA LEU 21 2.296 2.907 0.914 121 1HB LEU 21 2HB LEU 21 2.317 0.020 1.480 122 2HB LEU 21 1HB LEU 21 0.766 0.802 1.776 123 HG LEU 21 HG LEU 21 2.282 1.278 -0.794 124 1HD1 LEU 21 1HD1 LEU 21 1.681 -1.221 -0.179 125 2HD1 LEU 21 2HD1 LEU 21 1.357 -0.597 -1.796 126 3HD1 LEU 21 3HD1 LEU 21 0.052 -0.707 -0.616 127 1HD2 LEU 21 1HD2 LEU 21 -0.634 1.176 -0.822 128 2HD2 LEU 21 2HD2 LEU 21 0.442 2.466 -1.360 129 3HD2 LEU 21 3HD2 LEU 21 -0.028 2.361 0.336 130 H ARG 22 H ARG 22 0.173 3.228 2.001 131 HA ARG 22 HA ARG 22 0.607 3.750 4.884 132 1HB ARG 22 2HB ARG 22 -0.771 5.116 2.816 133 2HB ARG 22 1HB ARG 22 -2.007 4.519 3.924 134 1HG ARG 22 2HG ARG 22 -1.394 6.614 4.832 135 2HG ARG 22 1HG ARG 22 -0.495 5.447 5.804 136 1HD ARG 22 2HD ARG 22 1.512 6.167 5.026 137 2HD ARG 22 1HD ARG 22 0.921 6.302 3.370 138 HE ARG 22 HE ARG 22 0.916 8.443 5.384 139 1HH1 ARG 22 1HH2 ARG 22 1.580 8.424 2.334 140 2HH1 ARG 22 2HH2 ARG 22 0.294 9.423 1.746 141 1HH2 ARG 22 1HH1 ARG 22 -1.561 9.214 4.667 142 2HH2 ARG 22 2HH1 ARG 22 -1.484 9.871 3.066 143 HA PRO 23 HA PRO 23 -1.539 -0.041 5.763 144 1HB PRO 23 2HB PRO 23 -2.006 0.514 8.432 145 2HB PRO 23 1HB PRO 23 -0.471 -0.098 7.791 146 1HG PRO 23 2HG PRO 23 -1.203 2.715 8.566 147 2HG PRO 23 1HG PRO 23 0.350 1.872 8.736 148 1HD PRO 23 2HD PRO 23 -0.139 3.683 6.708 149 2HD PRO 23 1HD PRO 23 0.994 2.332 6.550 150 H GLY 24 H GLY 24 -3.299 0.694 4.384 151 1HA GLY 24 2HA GLY 24 -5.847 0.688 5.608 152 2HA GLY 24 1HA GLY 24 -5.456 2.364 5.194 153 H ALA 25 H ALA 25 -3.883 1.853 2.928 154 HA ALA 25 HA ALA 25 -5.943 1.186 0.944 155 1HB ALA 25 1HB ALA 25 -4.350 2.167 -0.656 156 2HB ALA 25 2HB ALA 25 -3.140 2.288 0.618 157 3HB ALA 25 3HB ALA 25 -4.608 3.260 0.703 158 H GLN 26 H GLN 26 -4.155 0.360 -1.123 159 HA GLN 26 HA GLN 26 -2.733 -2.005 -0.100 160 1HB GLN 26 2HB GLN 26 -5.420 -2.179 -1.075 161 2HB GLN 26 1HB GLN 26 -4.351 -3.014 -2.202 162 1HG GLN 26 2HG GLN 26 -4.085 -4.720 -0.756 163 2HG GLN 26 1HG GLN 26 -3.568 -3.607 0.511 164 1HE2 GLN 26 1HE2 GLN 26 -6.136 -5.666 -0.498 165 2HE2 GLN 26 2HE2 GLN 26 -7.280 -5.175 0.655 166 H CYS 27 H CYS 27 -2.324 0.531 -1.773 167 HA CYS 27 HA CYS 27 -0.330 -0.491 -3.508 168 1HB CYS 27 2HB CYS 27 -1.294 -0.326 -5.686 169 2HB CYS 27 1HB CYS 27 -2.442 -1.267 -4.736 170 H GLY 28 H GLY 28 1.060 1.188 -3.732 171 1HA GLY 28 2HA GLY 28 -0.027 3.922 -3.311 172 2HA GLY 28 1HA GLY 28 1.647 3.451 -3.042 173 H GLU 29 H GLU 29 1.217 1.906 -5.768 174 HA GLU 29 HA GLU 29 0.866 3.897 -7.775 175 1HB GLU 29 2HB GLU 29 3.159 4.460 -8.324 176 2HB GLU 29 1HB GLU 29 2.881 4.837 -6.620 177 1HG GLU 29 2HG GLU 29 4.697 3.573 -6.178 178 2HG GLU 29 1HG GLU 29 3.693 2.178 -6.574 179 H GLY 30 H GLY 30 0.469 2.732 -9.574 180 1HA GLY 30 2HA GLY 30 2.164 0.703 -10.622 181 2HA GLY 30 1HA GLY 30 0.837 -0.074 -9.757 182 H LEU 31 H LEU 31 0.888 -0.560 -12.419 183 HA LEU 31 HA LEU 31 -0.514 1.413 -13.992 184 1HB LEU 31 2HB LEU 31 0.551 -1.243 -14.378 185 2HB LEU 31 1HB LEU 31 -1.009 -1.060 -15.167 186 HG LEU 31 HG LEU 31 1.362 0.800 -15.485 187 1HD1 LEU 31 1HD1 LEU 31 0.201 -1.417 -17.161 188 2HD1 LEU 31 2HD1 LEU 31 1.885 -1.131 -16.726 189 3HD1 LEU 31 3HD1 LEU 31 1.093 -0.093 -17.912 190 1HD2 LEU 31 1HD2 LEU 31 -0.905 0.924 -17.367 191 2HD2 LEU 31 2HD2 LEU 31 -0.008 2.236 -16.601 192 3HD2 LEU 31 3HD2 LEU 31 -1.305 1.423 -15.723 193 H CYS 32 H CYS 32 -1.496 -1.065 -11.771 194 HA CYS 32 HA CYS 32 -4.345 -0.458 -12.449 195 1HB CYS 32 2HB CYS 32 -3.535 -3.082 -11.226 196 2HB CYS 32 1HB CYS 32 -4.958 -2.700 -12.194 197 H CYS 33 H CYS 33 -2.800 0.993 -10.558 198 HA CYS 33 HA CYS 33 -3.711 -0.069 -7.927 199 1HB CYS 33 2HB CYS 33 -1.422 0.573 -7.836 200 2HB CYS 33 1HB CYS 33 -1.719 2.060 -8.732 201 H GLU 34 H GLU 34 -5.818 0.530 -7.603 202 HA GLU 34 HA GLU 34 -6.979 2.949 -8.657 203 1HB GLU 34 2HB GLU 34 -7.925 0.623 -7.433 204 2HB GLU 34 1HB GLU 34 -8.334 1.917 -6.311 205 1HG GLU 34 2HG GLU 34 -10.176 2.003 -7.716 206 2HG GLU 34 1HG GLU 34 -9.109 3.152 -8.524 207 H GLN 35 H GLN 35 -8.229 4.342 -6.755 208 HA GLN 35 HA GLN 35 -6.208 5.946 -5.577 209 1HB GLN 35 2HB GLN 35 -9.043 5.690 -4.544 210 2HB GLN 35 1HB GLN 35 -7.984 7.098 -4.442 211 1HG GLN 35 2HG GLN 35 -8.096 6.449 -7.177 212 2HG GLN 35 1HG GLN 35 -9.754 6.308 -6.594 213 1HE2 GLN 35 1HE2 GLN 35 -8.084 8.507 -8.164 214 2HE2 GLN 35 2HE2 GLN 35 -8.558 9.939 -7.387 215 H CYS 36 H CYS 36 -4.779 4.544 -4.422 216 HA CYS 36 HA CYS 36 -4.008 3.379 -2.531 217 1HB CYS 36 2HB CYS 36 -6.033 5.289 -1.575 218 2HB CYS 36 1HB CYS 36 -5.813 3.900 -0.520 219 H LYS 37 H LYS 37 -5.573 1.831 -4.275 220 HA LYS 37 HA LYS 37 -6.590 -0.176 -2.398 221 1HB LYS 37 2HB LYS 37 -8.452 1.624 -3.109 222 2HB LYS 37 1HB LYS 37 -8.570 0.550 -4.504 223 1HG LYS 37 2HG LYS 37 -9.156 -1.311 -3.171 224 2HG LYS 37 1HG LYS 37 -8.580 -0.540 -1.693 225 1HD LYS 37 2HD LYS 37 -10.671 0.994 -3.073 226 2HD LYS 37 1HD LYS 37 -11.208 -0.592 -2.519 227 1HE LYS 37 2HE LYS 37 -9.967 0.085 -0.298 228 2HE LYS 37 1HE LYS 37 -10.182 1.725 -0.911 229 1HZ LYS 37 1HZ LYS 37 -12.216 1.613 -0.062 230 2HZ LYS 37 2HZ LYS 37 -12.111 -0.061 0.206 231 3HZ LYS 37 3HZ LYS 37 -12.602 0.531 -1.309 232 H PHE 38 H PHE 38 -6.521 -2.239 -3.316 233 HA PHE 38 HA PHE 38 -4.959 -2.591 -5.698 234 1HB PHE 38 2HB PHE 38 -6.466 -4.364 -3.836 235 2HB PHE 38 1HB PHE 38 -6.103 -5.010 -5.435 236 HD1 PHE 38 HD1 PHE 38 -4.974 -5.492 -2.405 237 HD2 PHE 38 HD2 PHE 38 -3.503 -3.701 -6.021 238 HE1 PHE 38 HE1 PHE 38 -2.648 -5.966 -1.692 239 HE2 PHE 38 HE2 PHE 38 -1.176 -4.173 -5.307 240 HZ PHE 38 HZ PHE 38 -0.747 -5.305 -3.142 241 H SER 39 H SER 39 -5.715 -2.151 -7.732 242 HA SER 39 HA SER 39 -8.398 -1.743 -8.463 243 1HB SER 39 2HB SER 39 -7.671 -2.176 -10.789 244 2HB SER 39 1HB SER 39 -6.507 -1.165 -9.939 245 HG SER 39 HG SER 39 -6.325 -3.991 -10.124 246 H ARG 40 H ARG 40 -9.749 -3.250 -9.879 247 HA ARG 40 HA ARG 40 -9.678 -5.937 -8.679 248 1HB ARG 40 2HB ARG 40 -11.758 -4.154 -9.641 249 2HB ARG 40 1HB ARG 40 -11.946 -5.789 -10.274 250 1HG ARG 40 2HG ARG 40 -11.245 -6.138 -7.583 251 2HG ARG 40 1HG ARG 40 -12.396 -4.802 -7.576 252 1HD ARG 40 2HD ARG 40 -13.892 -6.236 -9.053 253 2HD ARG 40 1HD ARG 40 -12.799 -7.579 -8.712 254 HE ARG 40 HE ARG 40 -13.901 -6.166 -6.363 255 1HH1 ARG 40 1HH2 ARG 40 -14.356 -8.643 -8.702 256 2HH1 ARG 40 2HH2 ARG 40 -15.094 -9.748 -7.590 257 1HH2 ARG 40 1HH1 ARG 40 -14.697 -7.668 -4.845 258 2HH2 ARG 40 2HH1 ARG 40 -15.288 -9.196 -5.408 259 H ALA 41 H ALA 41 -9.746 -7.840 -10.029 260 HA ALA 41 HA ALA 41 -8.035 -7.887 -12.235 261 1HB ALA 41 1HB ALA 41 -10.062 -9.693 -11.112 262 2HB ALA 41 2HB ALA 41 -8.463 -10.064 -11.755 263 3HB ALA 41 3HB ALA 41 -9.836 -9.894 -12.849 264 H GLY 42 H GLY 42 -8.857 -8.589 -14.550 265 1HA GLY 42 2HA GLY 42 -9.995 -7.958 -16.501 266 2HA GLY 42 1HA GLY 42 -11.328 -7.455 -15.472 267 H LYS 43 H LYS 43 -8.116 -6.170 -14.910 268 HA LYS 43 HA LYS 43 -9.172 -3.506 -15.667 269 1HB LYS 43 2HB LYS 43 -8.264 -3.533 -13.459 270 2HB LYS 43 1HB LYS 43 -6.813 -4.372 -14.000 271 1HG LYS 43 2HG LYS 43 -6.200 -2.066 -13.731 272 2HG LYS 43 1HG LYS 43 -6.327 -2.345 -15.465 273 1HD LYS 43 2HD LYS 43 -8.299 -1.140 -15.660 274 2HD LYS 43 1HD LYS 43 -8.768 -1.439 -13.986 275 1HE LYS 43 2HE LYS 43 -7.708 0.419 -13.254 276 2HE LYS 43 1HE LYS 43 -6.262 0.058 -14.197 277 1HZ LYS 43 1HZ LYS 43 -8.005 2.054 -14.723 278 2HZ LYS 43 2HZ LYS 43 -8.526 0.841 -15.793 279 3HZ LYS 43 3HZ LYS 43 -6.919 1.390 -15.844 280 H ILE 44 H ILE 44 -8.573 -2.632 -17.599 281 HA ILE 44 HA ILE 44 -6.514 -3.931 -19.201 282 HB ILE 44 HB ILE 44 -8.381 -3.053 -20.396 283 1HG1 ILE 44 2HG1 ILE 44 -7.314 -1.205 -21.789 284 2HG1 ILE 44 1HG1 ILE 44 -5.943 -1.273 -20.682 285 1HG2 ILE 44 1HG2 ILE 44 -8.177 -0.981 -18.401 286 2HG2 ILE 44 2HG2 ILE 44 -9.529 -1.366 -19.465 287 3HG2 ILE 44 3HG2 ILE 44 -8.265 -0.262 -20.008 288 1HD1 ILE 44 1HD1 ILE 44 -6.929 -3.840 -21.858 289 2HD1 ILE 44 2HD1 ILE 44 -5.291 -3.375 -21.397 290 3HD1 ILE 44 3HD1 ILE 44 -5.996 -2.757 -22.891 291 H CYS 45 H CYS 45 -4.535 -3.656 -18.170 292 HA CYS 45 HA CYS 45 -3.637 -1.043 -17.209 293 1HB CYS 45 2HB CYS 45 -1.450 -2.278 -16.908 294 2HB CYS 45 1HB CYS 45 -2.817 -2.990 -16.060 295 H ARG 46 H ARG 46 -3.516 -2.805 -20.203 296 HA ARG 46 HA ARG 46 -2.307 -0.523 -21.546 297 1HB ARG 46 2HB ARG 46 -0.496 -2.318 -20.454 298 2HB ARG 46 1HB ARG 46 -0.646 -2.864 -22.125 299 1HG ARG 46 2HG ARG 46 -0.435 -0.286 -22.662 300 2HG ARG 46 1HG ARG 46 0.333 -0.233 -21.075 301 1HD ARG 46 2HD ARG 46 1.509 -2.444 -22.253 302 2HD ARG 46 1HD ARG 46 1.352 -1.315 -23.600 303 HE ARG 46 HE ARG 46 2.457 -0.108 -21.174 304 1HH1 ARG 46 1HH2 ARG 46 2.883 0.059 -24.357 305 2HH1 ARG 46 2HH2 ARG 46 4.589 -0.236 -24.395 306 1HH2 ARG 46 1HH1 ARG 46 4.746 -1.304 -21.098 307 2HH2 ARG 46 2HH1 ARG 46 5.644 -1.008 -22.549 308 H ILE 47 H ILE 47 -2.430 -0.735 -23.848 309 HA ILE 47 HA ILE 47 -4.329 -2.860 -24.691 310 HB ILE 47 HB ILE 47 -4.772 -0.364 -25.080 311 1HG1 ILE 47 2HG1 ILE 47 -4.707 -1.852 -27.687 312 2HG1 ILE 47 1HG1 ILE 47 -5.700 -2.468 -26.365 313 1HG2 ILE 47 1HG2 ILE 47 -2.345 -0.012 -25.853 314 2HG2 ILE 47 2HG2 ILE 47 -3.604 0.752 -26.823 315 3HG2 ILE 47 3HG2 ILE 47 -2.848 -0.742 -27.378 316 1HD1 ILE 47 1HD1 ILE 47 -7.232 -0.829 -26.624 317 2HD1 ILE 47 2HD1 ILE 47 -6.443 -0.485 -28.164 318 3HD1 ILE 47 3HD1 ILE 47 -5.987 0.417 -26.719 319 H ALA 48 H ALA 48 -3.888 -4.126 -26.572 320 HA ALA 48 HA ALA 48 -1.203 -4.980 -26.897 321 1HB ALA 48 1HB ALA 48 -3.347 -6.219 -27.547 322 2HB ALA 48 2HB ALA 48 -2.003 -6.341 -28.682 323 3HB ALA 48 3HB ALA 48 -3.341 -5.243 -29.016 324 H LYS 49 H LYS 49 -1.013 -5.018 -29.804 325 HA LYS 49 HA LYS 49 -0.614 -2.132 -30.412 326 1HB LYS 49 2HB LYS 49 1.386 -4.309 -30.944 327 2HB LYS 49 1HB LYS 49 1.589 -2.604 -31.328 328 1HG LYS 49 2HG LYS 49 0.857 -2.807 -28.575 329 2HG LYS 49 1HG LYS 49 2.172 -3.946 -28.869 330 1HD LYS 49 2HD LYS 49 3.684 -2.291 -29.278 331 2HD LYS 49 1HD LYS 49 2.511 -1.302 -30.148 332 1HE LYS 49 2HE LYS 49 1.490 -1.162 -27.635 333 2HE LYS 49 1HE LYS 49 3.209 -1.309 -27.268 334 1HZ LYS 49 1HZ LYS 49 1.985 0.991 -27.890 335 2HZ LYS 49 2HZ LYS 49 2.573 0.522 -29.413 336 3HZ LYS 49 3HZ LYS 49 3.643 0.707 -28.106 337 H GLY 50 H GLY 50 -2.733 -3.836 -31.338 338 1HA GLY 50 2HA GLY 50 -2.640 -3.324 -34.128 339 2HA GLY 50 1HA GLY 50 -2.220 -5.015 -33.870 340 H ASP 51 H ASP 51 -3.810 -6.424 -33.011 341 HA ASP 51 HA ASP 51 -6.446 -5.479 -32.274 342 1HB ASP 51 2HB ASP 51 -5.921 -5.927 -35.031 343 2HB ASP 51 1HB ASP 51 -6.943 -7.244 -34.459 344 H TRP 52 H TRP 52 -6.274 -6.813 -30.456 345 HA TRP 52 HA TRP 52 -6.975 -9.563 -30.725 346 1HB TRP 52 2HB TRP 52 -4.531 -10.114 -29.541 347 2HB TRP 52 1HB TRP 52 -4.955 -10.475 -31.211 348 HD1 TRP 52 HD1 TRP 52 -4.010 -7.119 -29.522 349 HE1 TRP 52 HE1 TRP 52 -2.106 -6.049 -30.878 350 HE3 TRP 52 HE3 TRP 52 -3.274 -10.754 -33.034 351 HZ2 TRP 52 HZ2 TRP 52 -0.480 -6.645 -33.142 352 HZ3 TRP 52 HZ3 TRP 52 -1.540 -10.472 -34.782 353 HH2 TRP 52 HH2 TRP 52 -0.144 -8.421 -34.841 354 H ASN 53 H ASN 53 -5.905 -10.628 -28.385 355 HA ASN 53 HA ASN 53 -7.539 -9.548 -26.371 356 1HB ASN 53 2HB ASN 53 -5.186 -11.372 -26.423 357 2HB ASN 53 1HB ASN 53 -5.615 -10.674 -24.862 358 1HD2 ASN 53 1HD2 ASN 53 -6.026 -13.492 -26.224 359 2HD2 ASN 53 2HD2 ASN 53 -7.650 -13.837 -25.875 360 H ASP 54 H ASP 54 -6.888 -8.398 -24.374 361 HA ASP 54 HA ASP 54 -4.681 -6.443 -24.894 362 1HB ASP 54 2HB ASP 54 -6.107 -5.009 -23.235 363 2HB ASP 54 1HB ASP 54 -6.628 -5.132 -24.915 364 H ASP 55 H ASP 55 -4.038 -5.412 -22.630 365 HA ASP 55 HA ASP 55 -3.216 -7.682 -20.951 366 1HB ASP 55 2HB ASP 55 -1.802 -5.600 -21.697 367 2HB ASP 55 1HB ASP 55 -2.583 -4.845 -20.315 368 H ARG 56 H ARG 56 -4.247 -8.238 -19.096 369 HA ARG 56 HA ARG 56 -6.154 -6.265 -17.895 370 1HB ARG 56 2HB ARG 56 -6.695 -8.786 -18.954 371 2HB ARG 56 1HB ARG 56 -6.624 -9.060 -17.213 372 1HG ARG 56 2HG ARG 56 -8.906 -8.442 -17.942 373 2HG ARG 56 1HG ARG 56 -8.229 -7.242 -16.841 374 1HD ARG 56 2HD ARG 56 -9.395 -6.364 -18.966 375 2HD ARG 56 1HD ARG 56 -7.800 -5.712 -18.596 376 HE ARG 56 HE ARG 56 -7.071 -6.655 -20.619 377 1HH1 ARG 56 1HH1 ARG 56 -10.260 -7.301 -20.654 378 2HH1 ARG 56 2HH1 ARG 56 -10.169 -8.855 -21.414 379 1HH2 ARG 56 1HH2 ARG 56 -6.733 -9.126 -21.049 380 2HH2 ARG 56 2HH2 ARG 56 -8.173 -9.888 -21.637 381 H CYS 57 H CYS 57 -6.180 -6.155 -15.593 382 HA CYS 57 HA CYS 57 -3.731 -7.240 -14.311 383 1HB CYS 57 2HB CYS 57 -5.702 -5.402 -12.962 384 2HB CYS 57 1HB CYS 57 -3.979 -5.587 -12.653 385 H THR 58 H THR 58 -4.047 -8.210 -12.114 386 HA THR 58 HA THR 58 -6.346 -10.040 -12.152 387 HB THR 58 HB THR 58 -5.201 -11.254 -10.462 388 HG1 THR 58 HG1 THR 58 -4.118 -8.743 -9.925 389 1HG2 THR 58 1HG2 THR 58 -4.023 -10.856 -12.799 390 2HG2 THR 58 2HG2 THR 58 -3.193 -11.736 -11.517 391 3HG2 THR 58 3HG2 THR 58 -2.818 -10.038 -11.806 392 H GLY 59 H GLY 59 -6.870 -10.401 -9.462 393 1HA GLY 59 2HA GLY 59 -8.185 -7.813 -8.787 394 2HA GLY 59 1HA GLY 59 -8.734 -9.397 -8.238 395 H GLN 60 H GLN 60 -5.352 -9.097 -8.116 396 HA GLN 60 HA GLN 60 -5.373 -8.060 -5.335 397 1HB GLN 60 2HB GLN 60 -4.411 -10.803 -6.182 398 2HB GLN 60 1HB GLN 60 -3.894 -10.035 -4.681 399 1HG GLN 60 2HG GLN 60 -6.259 -9.820 -3.982 400 2HG GLN 60 1HG GLN 60 -6.763 -10.621 -5.472 401 1HE2 GLN 60 1HE2 GLN 60 -6.072 -11.230 -2.238 402 2HE2 GLN 60 2HE2 GLN 60 -5.723 -12.887 -2.352 403 H SER 61 H SER 61 -4.166 -7.678 -8.276 404 HA SER 61 HA SER 61 -1.371 -7.217 -7.309 405 1HB SER 61 2HB SER 61 -0.597 -8.036 -9.273 406 2HB SER 61 1HB SER 61 -2.218 -8.679 -9.507 407 HG SER 61 HG SER 61 -2.719 -6.972 -10.768 408 H ALA 62 H ALA 62 -0.307 -5.300 -8.478 409 HA ALA 62 HA ALA 62 -2.297 -3.150 -9.051 410 1HB ALA 62 1HB ALA 62 -1.712 -2.559 -6.865 411 2HB ALA 62 2HB ALA 62 -0.552 -1.632 -7.818 412 3HB ALA 62 3HB ALA 62 -0.056 -3.139 -7.046 413 H ASP 63 H ASP 63 0.186 -4.918 -10.238 414 HA ASP 63 HA ASP 63 1.270 -2.630 -11.826 415 1HB ASP 63 2HB ASP 63 2.628 -5.280 -11.562 416 2HB ASP 63 1HB ASP 63 3.334 -3.729 -11.990 417 H CYS 64 H CYS 64 2.315 -3.901 -13.978 418 HA CYS 64 HA CYS 64 0.276 -5.773 -15.023 419 1HB CYS 64 2HB CYS 64 -0.672 -3.630 -15.634 420 2HB CYS 64 1HB CYS 64 0.877 -3.077 -16.269 421 HA PRO 65 HA PRO 65 4.010 -7.319 -16.769 422 1HB PRO 65 2HB PRO 65 2.812 -9.536 -17.841 423 2HB PRO 65 1HB PRO 65 3.260 -9.408 -16.140 424 1HG PRO 65 2HG PRO 65 0.574 -9.306 -17.407 425 2HG PRO 65 1HG PRO 65 1.014 -9.733 -15.745 426 1HD PRO 65 2HD PRO 65 -0.058 -7.255 -16.620 427 2HD PRO 65 1HD PRO 65 0.625 -7.606 -15.019 428 H ARG 66 H ARG 66 3.838 -8.831 -19.211 429 HA ARG 66 HA ARG 66 2.678 -6.898 -21.128 430 1HB ARG 66 2HB ARG 66 5.186 -6.558 -20.761 431 2HB ARG 66 1HB ARG 66 5.405 -8.137 -21.514 432 1HG ARG 66 2HG ARG 66 5.096 -7.278 -23.576 433 2HG ARG 66 1HG ARG 66 3.603 -6.481 -23.078 434 1HD ARG 66 2HD ARG 66 4.750 -4.544 -22.336 435 2HD ARG 66 1HD ARG 66 6.308 -5.372 -22.323 436 HE ARG 66 HE ARG 66 6.406 -5.151 -24.720 437 1HH1 ARG 66 1HH1 ARG 66 3.155 -4.843 -23.929 438 2HH1 ARG 66 2HH1 ARG 66 2.826 -3.555 -25.039 439 1HH2 ARG 66 1HH2 ARG 66 6.155 -3.081 -25.887 440 2HH2 ARG 66 2HH2 ARG 66 4.524 -2.557 -26.148 441 H TYR 67 H TYR 67 1.995 -7.862 -23.111 442 HA TYR 67 HA TYR 67 2.459 -10.724 -23.511 443 1HB TYR 67 2HB TYR 67 0.386 -10.269 -21.965 444 2HB TYR 67 1HB TYR 67 -0.385 -9.852 -23.490 445 HD1 TYR 67 HD1 TYR 67 1.559 -12.554 -21.801 446 HD2 TYR 67 HD2 TYR 67 -1.163 -11.521 -24.959 447 HE1 TYR 67 HE1 TYR 67 1.244 -14.959 -22.317 448 HE2 TYR 67 HE2 TYR 67 -1.477 -13.926 -25.476 449 HH TYR 67 HH TYR 67 -1.246 -16.137 -24.138 450 H HIS 68 HN HIS 68 2.664 -7.908 -24.852 451 HA HIS 68 HA HIS 68 2.067 -8.915 -27.536 452 1HB HIS 68 2HB HIS 68 0.169 -7.237 -26.172 453 2HB HIS 68 1HB HIS 68 0.859 -6.347 -27.528 454 HD1 HIS 68 HD1 HIS 68 -1.537 -9.003 -26.718 455 HD2 HIS 68 HD2 HIS 68 0.613 -7.812 -30.085 456 HE1 HIS 68 HE1 HIS 68 -2.625 -10.140 -28.704 Start of MODEL 2 1 1H GLY 1 1HT GLY 1 12.723 -8.447 -7.647 2 2H GLY 1 2HT GLY 1 13.387 -8.853 -6.137 3 3H GLY 1 3HT GLY 1 13.860 -7.420 -6.920 4 1HA GLY 1 1HA GLY 1 11.368 -6.816 -6.794 5 2HA GLY 1 2HA GLY 1 11.347 -8.034 -5.518 6 H LYS 2 H LYS 2 10.924 -5.197 -5.139 7 HA LYS 2 HA LYS 2 13.206 -4.661 -3.297 8 1HB LYS 2 2HB LYS 2 12.608 -3.185 -5.646 9 2HB LYS 2 1HB LYS 2 12.110 -2.186 -4.279 10 1HG LYS 2 2HG LYS 2 14.334 -2.535 -3.235 11 2HG LYS 2 1HG LYS 2 14.831 -3.475 -4.644 12 1HD LYS 2 2HD LYS 2 13.684 -0.920 -5.429 13 2HD LYS 2 1HD LYS 2 15.055 -0.703 -4.340 14 1HE LYS 2 2HE LYS 2 16.537 -1.389 -5.903 15 2HE LYS 2 1HE LYS 2 15.536 -2.768 -6.359 16 1HZ LYS 2 1HZ LYS 2 14.119 -0.685 -7.305 17 2HZ LYS 2 2HZ LYS 2 15.200 -1.617 -8.227 18 3HZ LYS 2 3HZ LYS 2 15.709 -0.145 -7.546 19 H GLU 3 H GLU 3 12.423 -2.610 -1.874 20 HA GLU 3 HA GLU 3 9.629 -3.244 -1.003 21 1HB GLU 3 2HB GLU 3 12.067 -3.355 0.447 22 2HB GLU 3 1HB GLU 3 11.133 -2.003 1.083 23 1HG GLU 3 2HG GLU 3 10.029 -3.574 2.290 24 2HG GLU 3 1HG GLU 3 9.205 -3.944 0.775 25 H CYS 4 H CYS 4 9.281 -1.466 -2.743 26 HA CYS 4 HA CYS 4 9.081 1.093 -1.295 27 1HB CYS 4 2HB CYS 4 11.177 1.119 -2.696 28 2HB CYS 4 1HB CYS 4 10.122 1.030 -4.084 29 H ASP 5 H ASP 5 6.901 -0.037 -1.321 30 HA ASP 5 HA ASP 5 5.207 -0.546 -3.376 31 1HB ASP 5 2HB ASP 5 4.720 -0.226 -0.830 32 2HB ASP 5 1HB ASP 5 4.281 1.417 -1.294 33 H CYS 6 H CYS 6 6.357 2.675 -2.463 34 HA CYS 6 HA CYS 6 5.612 3.653 -5.153 35 1HB CYS 6 2HB CYS 6 4.778 5.295 -2.768 36 2HB CYS 6 1HB CYS 6 4.245 5.434 -4.441 37 H SER 7 H SER 7 6.986 5.321 -5.835 38 HA SER 7 HA SER 7 9.147 6.036 -3.899 39 1HB SER 7 2HB SER 7 10.670 6.092 -5.678 40 2HB SER 7 1HB SER 7 9.621 4.752 -6.128 41 HG SER 7 HG SER 7 10.036 7.118 -7.371 42 H SER 8 H SER 8 6.381 7.303 -5.024 43 HA SER 8 HA SER 8 7.368 9.958 -5.789 44 1HB SER 8 2HB SER 8 4.971 8.534 -6.154 45 2HB SER 8 1HB SER 8 4.568 9.896 -5.117 46 HG SER 8 HG SER 8 5.285 9.837 -7.753 47 HA PRO 9 HA PRO 9 7.455 11.175 -1.495 48 1HB PRO 9 2HB PRO 9 8.424 13.702 -1.968 49 2HB PRO 9 1HB PRO 9 9.442 12.251 -1.961 50 1HG PRO 9 2HG PRO 9 8.490 13.865 -4.280 51 2HG PRO 9 1HG PRO 9 9.933 12.848 -4.139 52 1HD PRO 9 2HD PRO 9 7.524 12.146 -5.456 53 2HD PRO 9 1HD PRO 9 8.850 11.040 -5.035 54 H GLU 10 H GLU 10 5.251 11.983 -3.771 55 HA GLU 10 HA GLU 10 3.980 14.064 -2.035 56 1HB GLU 10 2HB GLU 10 4.662 14.272 -4.735 57 2HB GLU 10 1HB GLU 10 2.931 13.926 -4.753 58 1HG GLU 10 2HG GLU 10 2.912 15.744 -2.806 59 2HG GLU 10 1HG GLU 10 4.384 16.279 -3.617 60 H ASN 11 H ASN 11 3.846 10.963 -2.283 61 HA ASN 11 HA ASN 11 0.918 10.756 -2.673 62 1HB ASN 11 2HB ASN 11 3.037 9.167 -3.623 63 2HB ASN 11 1HB ASN 11 2.248 8.210 -2.370 64 1HD2 ASN 11 1HD2 ASN 11 2.126 7.748 -5.314 65 2HD2 ASN 11 2HD2 ASN 11 0.484 7.845 -5.735 66 HA PRO 12 HA PRO 12 0.897 10.310 1.777 67 1HB PRO 12 2HB PRO 12 -1.842 10.212 2.002 68 2HB PRO 12 1HB PRO 12 -0.929 11.717 1.802 69 1HG PRO 12 2HG PRO 12 -2.598 10.259 -0.190 70 2HG PRO 12 1HG PRO 12 -2.193 11.982 -0.113 71 1HD PRO 12 2HD PRO 12 -1.000 10.066 -1.828 72 2HD PRO 12 1HD PRO 12 -0.401 11.708 -1.515 73 H CYS 13 H CYS 13 -0.307 8.133 -0.600 74 HA CYS 13 HA CYS 13 -1.071 6.052 1.356 75 1HB CYS 13 2HB CYS 13 -1.810 6.625 -1.284 76 2HB CYS 13 1HB CYS 13 -0.848 5.152 -1.383 77 H CYS 14 H CYS 14 1.797 7.149 0.894 78 HA CYS 14 HA CYS 14 3.048 4.546 1.182 79 1HB CYS 14 2HB CYS 14 3.137 5.981 -1.416 80 2HB CYS 14 1HB CYS 14 4.658 5.293 -0.845 81 H ASP 15 H ASP 15 4.855 4.755 2.407 82 HA ASP 15 HA ASP 15 5.668 7.383 3.325 83 1HB ASP 15 2HB ASP 15 5.723 5.060 4.549 84 2HB ASP 15 1HB ASP 15 7.295 4.928 3.772 85 H ALA 16 H ALA 16 7.298 8.635 2.504 86 HA ALA 16 HA ALA 16 8.643 7.756 0.080 87 1HB ALA 16 1HB ALA 16 8.062 10.029 0.021 88 2HB ALA 16 2HB ALA 16 9.785 10.075 0.397 89 3HB ALA 16 3HB ALA 16 8.595 10.301 1.681 90 H ALA 17 H ALA 17 9.329 7.579 3.415 91 HA ALA 17 HA ALA 17 12.265 7.451 2.935 92 1HB ALA 17 1HB ALA 17 10.588 8.207 5.177 93 2HB ALA 17 2HB ALA 17 12.322 8.446 4.959 94 3HB ALA 17 3HB ALA 17 11.720 6.941 5.651 95 H THR 18 H THR 18 9.640 5.553 4.430 96 HA THR 18 HA THR 18 11.308 3.169 4.597 97 HB THR 18 HB THR 18 8.687 4.039 5.513 98 HG1 THR 18 HG1 THR 18 9.300 2.856 7.220 99 1HG2 THR 18 1HG2 THR 18 7.639 1.796 5.560 100 2HG2 THR 18 2HG2 THR 18 8.945 1.178 4.549 101 3HG2 THR 18 3HG2 THR 18 7.833 2.390 3.910 102 H CYS 19 H CYS 19 9.878 4.714 2.038 103 HA CYS 19 HA CYS 19 9.086 4.005 -0.063 104 1HB CYS 19 2HB CYS 19 11.562 2.668 0.574 105 2HB CYS 19 1HB CYS 19 10.577 1.670 -0.478 106 H LYS 20 H LYS 20 6.976 3.421 0.823 107 HA LYS 20 HA LYS 20 6.100 0.858 0.029 108 1HB LYS 20 2HB LYS 20 7.121 0.994 2.793 109 2HB LYS 20 1HB LYS 20 5.516 0.281 2.626 110 1HG LYS 20 2HG LYS 20 7.111 -0.765 0.514 111 2HG LYS 20 1HG LYS 20 8.054 -0.906 1.999 112 1HD LYS 20 2HD LYS 20 5.833 -1.807 3.036 113 2HD LYS 20 1HD LYS 20 5.357 -2.082 1.360 114 1HE LYS 20 2HE LYS 20 7.357 -3.454 0.992 115 2HE LYS 20 1HE LYS 20 7.891 -3.145 2.644 116 1HZ LYS 20 1HZ LYS 20 6.804 -5.244 2.597 117 2HZ LYS 20 2HZ LYS 20 5.451 -4.603 1.793 118 3HZ LYS 20 3HZ LYS 20 5.775 -4.160 3.401 119 H LEU 21 H LEU 21 3.912 0.458 1.741 120 HA LEU 21 HA LEU 21 2.319 2.841 1.054 121 1HB LEU 21 2HB LEU 21 1.731 0.030 1.900 122 2HB LEU 21 1HB LEU 21 0.503 1.261 2.194 123 HG LEU 21 HG LEU 21 1.808 1.092 -0.507 124 1HD1 LEU 21 1HD1 LEU 21 0.567 -0.712 -1.197 125 2HD1 LEU 21 2HD1 LEU 21 -0.740 -0.375 -0.061 126 3HD1 LEU 21 3HD1 LEU 21 0.736 -1.162 0.500 127 1HD2 LEU 21 1HD2 LEU 21 0.256 2.651 -0.966 128 2HD2 LEU 21 2HD2 LEU 21 -0.249 2.610 0.724 129 3HD2 LEU 21 3HD2 LEU 21 -1.027 1.554 -0.455 130 H ARG 22 H ARG 22 1.656 4.350 2.534 131 HA ARG 22 HA ARG 22 2.698 4.163 5.260 132 1HB ARG 22 2HB ARG 22 1.856 6.251 3.520 133 2HB ARG 22 1HB ARG 22 0.851 6.335 4.967 134 1HG ARG 22 2HG ARG 22 2.931 6.222 6.356 135 2HG ARG 22 1HG ARG 22 3.881 6.302 4.872 136 1HD ARG 22 2HD ARG 22 3.569 8.530 4.685 137 2HD ARG 22 1HD ARG 22 1.837 8.383 4.980 138 HE ARG 22 HE ARG 22 2.229 8.873 7.259 139 1HH1 ARG 22 1HH2 ARG 22 5.136 8.052 5.581 140 2HH1 ARG 22 2HH2 ARG 22 6.173 8.510 6.889 141 1HH2 ARG 22 1HH1 ARG 22 3.571 9.468 8.973 142 2HH2 ARG 22 2HH1 ARG 22 5.289 9.309 8.809 143 HA PRO 23 HA PRO 23 -1.942 4.019 6.370 144 1HB PRO 23 2HB PRO 23 -3.756 3.906 4.308 145 2HB PRO 23 1HB PRO 23 -3.180 5.421 5.025 146 1HG PRO 23 2HG PRO 23 -2.449 4.181 2.409 147 2HG PRO 23 1HG PRO 23 -2.457 5.890 2.878 148 1HD PRO 23 2HD PRO 23 -0.169 4.251 2.694 149 2HD PRO 23 1HD PRO 23 -0.258 5.824 3.512 150 H GLY 24 H GLY 24 -4.012 2.375 5.533 151 1HA GLY 24 2HA GLY 24 -2.625 -0.243 5.322 152 2HA GLY 24 1HA GLY 24 -4.279 -0.004 5.884 153 H ALA 25 H ALA 25 -3.419 1.787 3.082 154 HA ALA 25 HA ALA 25 -5.434 0.620 1.467 155 1HB ALA 25 1HB ALA 25 -4.517 1.896 -0.347 156 2HB ALA 25 2HB ALA 25 -2.930 1.959 0.419 157 3HB ALA 25 3HB ALA 25 -4.280 2.859 1.112 158 H GLN 26 H GLN 26 -4.458 -0.166 -0.929 159 HA GLN 26 HA GLN 26 -2.894 -2.610 -0.228 160 1HB GLN 26 2HB GLN 26 -5.275 -2.148 -1.811 161 2HB GLN 26 1HB GLN 26 -4.042 -3.003 -2.739 162 1HG GLN 26 2HG GLN 26 -5.285 -4.698 -1.607 163 2HG GLN 26 1HG GLN 26 -3.777 -4.521 -0.709 164 1HE2 GLN 26 1HE2 GLN 26 -5.162 -5.460 1.134 165 2HE2 GLN 26 2HE2 GLN 26 -6.093 -4.376 2.049 166 H CYS 27 H CYS 27 -2.867 0.278 -2.054 167 HA CYS 27 HA CYS 27 -0.177 -0.138 -2.943 168 1HB CYS 27 2HB CYS 27 -1.053 -1.571 -4.622 169 2HB CYS 27 1HB CYS 27 -2.383 -0.472 -4.945 170 H GLY 28 H GLY 28 0.743 1.851 -3.545 171 1HA GLY 28 2HA GLY 28 -1.080 4.183 -3.283 172 2HA GLY 28 1HA GLY 28 0.669 4.231 -3.088 173 H GLU 29 H GLU 29 0.800 2.484 -5.625 174 HA GLU 29 HA GLU 29 -0.247 4.124 -7.756 175 1HB GLU 29 2HB GLU 29 1.899 5.067 -8.517 176 2HB GLU 29 1HB GLU 29 1.479 5.664 -6.915 177 1HG GLU 29 2HG GLU 29 3.497 4.947 -6.217 178 2HG GLU 29 1HG GLU 29 2.906 3.300 -6.440 179 H GLY 30 H GLY 30 -0.275 2.879 -9.584 180 1HA GLY 30 2HA GLY 30 1.807 1.112 -10.399 181 2HA GLY 30 1HA GLY 30 0.567 0.175 -9.567 182 H LEU 31 H LEU 31 0.913 -0.440 -12.177 183 HA LEU 31 HA LEU 31 -0.549 1.114 -14.067 184 1HB LEU 31 2HB LEU 31 0.655 -1.510 -13.956 185 2HB LEU 31 1HB LEU 31 -0.846 -1.534 -14.870 186 HG LEU 31 HG LEU 31 1.279 -0.987 -16.194 187 1HD1 LEU 31 1HD1 LEU 31 0.041 0.294 -17.666 188 2HD1 LEU 31 2HD1 LEU 31 -0.607 1.324 -16.390 189 3HD1 LEU 31 3HD1 LEU 31 -1.258 -0.297 -16.630 190 1HD2 LEU 31 1HD2 LEU 31 1.132 1.835 -15.476 191 2HD2 LEU 31 2HD2 LEU 31 2.547 0.788 -15.602 192 3HD2 LEU 31 3HD2 LEU 31 1.619 0.842 -14.103 193 H CYS 32 H CYS 32 -1.623 -0.792 -11.431 194 HA CYS 32 HA CYS 32 -4.425 -0.359 -12.289 195 1HB CYS 32 2HB CYS 32 -3.700 -3.077 -11.234 196 2HB CYS 32 1HB CYS 32 -5.086 -2.597 -12.214 197 H CYS 33 H CYS 33 -3.353 1.129 -10.346 198 HA CYS 33 HA CYS 33 -4.161 -0.199 -7.791 199 1HB CYS 33 2HB CYS 33 -2.252 2.096 -8.305 200 2HB CYS 33 1HB CYS 33 -2.792 1.616 -6.696 201 H GLU 34 H GLU 34 -6.281 0.357 -7.492 202 HA GLU 34 HA GLU 34 -7.468 2.799 -8.416 203 1HB GLU 34 2HB GLU 34 -8.388 0.429 -7.309 204 2HB GLU 34 1HB GLU 34 -8.754 1.633 -6.078 205 1HG GLU 34 2HG GLU 34 -10.332 2.646 -7.360 206 2HG GLU 34 1HG GLU 34 -9.358 2.506 -8.824 207 H GLN 35 H GLN 35 -8.738 4.062 -6.401 208 HA GLN 35 HA GLN 35 -6.746 5.706 -5.236 209 1HB GLN 35 2HB GLN 35 -8.562 6.612 -3.845 210 2HB GLN 35 1HB GLN 35 -9.110 6.394 -5.508 211 1HG GLN 35 2HG GLN 35 -9.674 3.942 -4.390 212 2HG GLN 35 1HG GLN 35 -10.004 5.044 -3.053 213 1HE2 GLN 35 1HE2 GLN 35 -12.277 3.933 -3.896 214 2HE2 GLN 35 2HE2 GLN 35 -13.164 4.944 -4.931 215 H CYS 36 H CYS 36 -5.208 4.312 -4.207 216 HA CYS 36 HA CYS 36 -4.301 3.117 -2.407 217 1HB CYS 36 2HB CYS 36 -6.615 4.547 -1.083 218 2HB CYS 36 1HB CYS 36 -5.459 3.568 -0.179 219 H LYS 37 H LYS 37 -6.037 1.663 -4.132 220 HA LYS 37 HA LYS 37 -6.720 -0.550 -2.345 221 1HB LYS 37 2HB LYS 37 -8.738 1.170 -2.559 222 2HB LYS 37 1HB LYS 37 -8.981 0.339 -4.096 223 1HG LYS 37 2HG LYS 37 -10.269 -0.966 -2.648 224 2HG LYS 37 1HG LYS 37 -8.735 -1.837 -2.644 225 1HD LYS 37 2HD LYS 37 -9.500 -1.570 -0.345 226 2HD LYS 37 1HD LYS 37 -8.069 -0.570 -0.597 227 1HE LYS 37 2HE LYS 37 -9.216 1.309 -0.126 228 2HE LYS 37 1HE LYS 37 -10.471 0.896 -1.296 229 1HZ LYS 37 1HZ LYS 37 -11.678 0.781 0.603 230 2HZ LYS 37 2HZ LYS 37 -10.349 0.360 1.574 231 3HZ LYS 37 3HZ LYS 37 -11.094 -0.811 0.594 232 H PHE 38 H PHE 38 -6.218 -2.395 -3.434 233 HA PHE 38 HA PHE 38 -5.062 -2.537 -5.941 234 1HB PHE 38 2HB PHE 38 -6.537 -4.485 -4.251 235 2HB PHE 38 1HB PHE 38 -6.323 -4.926 -5.943 236 HD1 PHE 38 HD1 PHE 38 -3.738 -3.689 -6.600 237 HD2 PHE 38 HD2 PHE 38 -4.971 -5.795 -3.067 238 HE1 PHE 38 HE1 PHE 38 -1.383 -4.317 -6.151 239 HE2 PHE 38 HE2 PHE 38 -2.615 -6.420 -2.618 240 HZ PHE 38 HZ PHE 38 -0.820 -5.682 -4.160 241 H SER 39 H SER 39 -5.802 -2.048 -7.949 242 HA SER 39 HA SER 39 -8.425 -1.265 -8.573 243 1HB SER 39 2HB SER 39 -7.821 -1.532 -10.897 244 2HB SER 39 1HB SER 39 -6.377 -0.997 -10.044 245 HG SER 39 HG SER 39 -5.812 -3.258 -9.899 246 H ARG 40 H ARG 40 -9.780 -2.657 -10.305 247 HA ARG 40 HA ARG 40 -10.287 -5.216 -8.944 248 1HB ARG 40 2HB ARG 40 -11.890 -3.291 -10.449 249 2HB ARG 40 1HB ARG 40 -12.246 -4.967 -10.855 250 1HG ARG 40 2HG ARG 40 -12.706 -5.503 -8.552 251 2HG ARG 40 1HG ARG 40 -12.107 -3.934 -8.012 252 1HD ARG 40 2HD ARG 40 -13.946 -2.934 -9.539 253 2HD ARG 40 1HD ARG 40 -14.642 -4.554 -9.525 254 HE ARG 40 HE ARG 40 -15.176 -4.268 -7.213 255 1HH1 ARG 40 1HH2 ARG 40 -15.479 -1.391 -8.381 256 2HH1 ARG 40 2HH2 ARG 40 -14.762 -0.473 -7.100 257 1HH2 ARG 40 1HH1 ARG 40 -13.278 -3.225 -5.599 258 2HH2 ARG 40 2HH1 ARG 40 -13.516 -1.511 -5.525 259 H ALA 41 H ALA 41 -10.047 -7.205 -9.986 260 HA ALA 41 HA ALA 41 -8.209 -7.556 -12.051 261 1HB ALA 41 1HB ALA 41 -9.504 -9.311 -10.558 262 2HB ALA 41 2HB ALA 41 -8.895 -9.788 -12.143 263 3HB ALA 41 3HB ALA 41 -10.598 -9.376 -11.939 264 H GLY 42 H GLY 42 -8.768 -8.422 -14.337 265 1HA GLY 42 2HA GLY 42 -9.789 -8.039 -16.421 266 2HA GLY 42 1HA GLY 42 -11.204 -7.473 -15.550 267 H LYS 43 H LYS 43 -8.030 -6.131 -14.905 268 HA LYS 43 HA LYS 43 -9.038 -3.540 -15.941 269 1HB LYS 43 2HB LYS 43 -8.338 -3.418 -13.645 270 2HB LYS 43 1HB LYS 43 -6.814 -4.218 -14.015 271 1HG LYS 43 2HG LYS 43 -6.267 -1.909 -13.877 272 2HG LYS 43 1HG LYS 43 -6.352 -2.246 -15.604 273 1HD LYS 43 2HD LYS 43 -7.951 -0.683 -15.829 274 2HD LYS 43 1HD LYS 43 -8.984 -1.585 -14.719 275 1HE LYS 43 2HE LYS 43 -8.604 -0.125 -13.040 276 2HE LYS 43 1HE LYS 43 -6.863 -0.153 -13.316 277 1HZ LYS 43 1HZ LYS 43 -8.888 1.484 -14.734 278 2HZ LYS 43 2HZ LYS 43 -7.279 1.331 -15.257 279 3HZ LYS 43 3HZ LYS 43 -7.622 2.035 -13.749 280 H ILE 44 H ILE 44 -8.214 -2.738 -17.811 281 HA ILE 44 HA ILE 44 -6.080 -4.177 -19.172 282 HB ILE 44 HB ILE 44 -7.847 -3.305 -20.529 283 1HG1 ILE 44 2HG1 ILE 44 -6.581 -1.600 -21.956 284 2HG1 ILE 44 1HG1 ILE 44 -5.280 -1.716 -20.770 285 1HG2 ILE 44 1HG2 ILE 44 -7.447 -0.969 -18.776 286 2HG2 ILE 44 2HG2 ILE 44 -8.920 -1.571 -19.536 287 3HG2 ILE 44 3HG2 ILE 44 -7.792 -0.579 -20.460 288 1HD1 ILE 44 1HD1 ILE 44 -5.736 -3.433 -22.952 289 2HD1 ILE 44 2HD1 ILE 44 -6.192 -4.357 -21.520 290 3HD1 ILE 44 3HD1 ILE 44 -4.574 -3.665 -21.646 291 H CYS 45 H CYS 45 -4.138 -3.911 -18.106 292 HA CYS 45 HA CYS 45 -3.251 -1.295 -17.138 293 1HB CYS 45 2HB CYS 45 -1.129 -2.516 -16.656 294 2HB CYS 45 1HB CYS 45 -2.542 -3.311 -15.966 295 H ARG 46 H ARG 46 -3.254 -2.894 -20.150 296 HA ARG 46 HA ARG 46 -1.518 -0.785 -21.259 297 1HB ARG 46 2HB ARG 46 -0.263 -3.069 -20.587 298 2HB ARG 46 1HB ARG 46 -0.853 -3.537 -22.182 299 1HG ARG 46 2HG ARG 46 0.784 -2.341 -23.148 300 2HG ARG 46 1HG ARG 46 0.182 -0.879 -22.367 301 1HD ARG 46 2HD ARG 46 1.815 -0.914 -20.796 302 2HD ARG 46 1HD ARG 46 1.647 -2.651 -20.541 303 HE ARG 46 HE ARG 46 3.518 -1.355 -22.388 304 1HH1 ARG 46 1HH2 ARG 46 2.847 -4.097 -20.622 305 2HH1 ARG 46 2HH2 ARG 46 3.469 -5.225 -21.780 306 1HH2 ARG 46 1HH1 ARG 46 3.873 -2.847 -24.273 307 2HH2 ARG 46 2HH1 ARG 46 4.048 -4.518 -23.848 308 H ILE 47 H ILE 47 -1.305 -2.588 -23.741 309 HA ILE 47 HA ILE 47 -4.027 -3.051 -24.613 310 HB ILE 47 HB ILE 47 -3.993 -0.569 -24.651 311 1HG1 ILE 47 2HG1 ILE 47 -3.901 -1.812 -27.420 312 2HG1 ILE 47 1HG1 ILE 47 -5.295 -1.857 -26.341 313 1HG2 ILE 47 1HG2 ILE 47 -2.216 0.588 -25.428 314 2HG2 ILE 47 2HG2 ILE 47 -2.190 -0.337 -26.930 315 3HG2 ILE 47 3HG2 ILE 47 -1.356 -0.949 -25.502 316 1HD1 ILE 47 1HD1 ILE 47 -4.934 0.763 -26.283 317 2HD1 ILE 47 2HD1 ILE 47 -5.809 0.013 -27.618 318 3HD1 ILE 47 3HD1 ILE 47 -4.117 0.468 -27.817 319 H ALA 48 H ALA 48 -3.877 -4.576 -26.197 320 HA ALA 48 HA ALA 48 -1.323 -5.421 -27.195 321 1HB ALA 48 1HB ALA 48 -3.568 -6.281 -28.836 322 2HB ALA 48 2HB ALA 48 -3.908 -6.481 -27.117 323 3HB ALA 48 3HB ALA 48 -2.488 -7.246 -27.831 324 H LYS 49 H LYS 49 -0.854 -5.561 -29.601 325 HA LYS 49 HA LYS 49 -1.704 -3.045 -30.947 326 1HB LYS 49 2HB LYS 49 0.825 -4.529 -31.513 327 2HB LYS 49 1HB LYS 49 0.433 -2.867 -31.934 328 1HG LYS 49 2HG LYS 49 0.166 -3.216 -29.090 329 2HG LYS 49 1HG LYS 49 1.756 -3.788 -29.599 330 1HD LYS 49 2HD LYS 49 1.350 -1.426 -31.054 331 2HD LYS 49 1HD LYS 49 0.758 -1.064 -29.432 332 1HE LYS 49 2HE LYS 49 3.173 -2.557 -29.155 333 2HE LYS 49 1HE LYS 49 3.471 -1.265 -30.319 334 1HZ LYS 49 1HZ LYS 49 2.006 -0.061 -28.372 335 2HZ LYS 49 2HZ LYS 49 3.692 0.042 -28.551 336 3HZ LYS 49 3HZ LYS 49 3.016 -1.105 -27.495 337 H GLY 50 H GLY 50 -0.345 -6.181 -31.804 338 1HA GLY 50 2HA GLY 50 -1.391 -6.222 -34.453 339 2HA GLY 50 1HA GLY 50 -0.841 -7.643 -33.571 340 H ASP 51 H ASP 51 -2.422 -9.132 -33.355 341 HA ASP 51 HA ASP 51 -5.201 -8.193 -32.926 342 1HB ASP 51 2HB ASP 51 -4.172 -9.767 -35.073 343 2HB ASP 51 1HB ASP 51 -5.242 -10.776 -34.100 344 H TRP 52 H TRP 52 -5.587 -8.670 -30.802 345 HA TRP 52 HA TRP 52 -5.891 -11.278 -29.828 346 1HB TRP 52 2HB TRP 52 -3.743 -11.091 -28.218 347 2HB TRP 52 1HB TRP 52 -3.677 -11.920 -29.772 348 HD1 TRP 52 HD1 TRP 52 -3.740 -8.109 -29.275 349 HE1 TRP 52 HE1 TRP 52 -1.589 -7.118 -30.285 350 HE3 TRP 52 HE3 TRP 52 -1.288 -12.410 -30.523 351 HZ2 TRP 52 HZ2 TRP 52 0.852 -8.026 -31.462 352 HZ3 TRP 52 HZ3 TRP 52 0.948 -12.317 -31.587 353 HH2 TRP 52 HH2 TRP 52 2.020 -10.132 -32.059 354 H ASN 53 H ASN 53 -5.886 -11.273 -27.301 355 HA ASN 53 HA ASN 53 -7.468 -9.045 -26.430 356 1HB ASN 53 2HB ASN 53 -7.141 -10.077 -24.138 357 2HB ASN 53 1HB ASN 53 -7.784 -11.176 -25.358 358 1HD2 ASN 53 1HD2 ASN 53 -4.678 -10.203 -23.824 359 2HD2 ASN 53 2HD2 ASN 53 -3.931 -11.713 -24.029 360 H ASP 54 H ASP 54 -6.725 -7.989 -24.172 361 HA ASP 54 HA ASP 54 -4.022 -6.824 -24.676 362 1HB ASP 54 2HB ASP 54 -6.098 -5.525 -22.978 363 2HB ASP 54 1HB ASP 54 -4.785 -4.776 -23.876 364 H ASP 55 H ASP 55 -3.324 -5.744 -22.352 365 HA ASP 55 HA ASP 55 -2.881 -8.061 -20.637 366 1HB ASP 55 2HB ASP 55 -2.121 -5.185 -20.199 367 2HB ASP 55 1HB ASP 55 -1.481 -6.566 -19.319 368 H ARG 56 H ARG 56 -3.805 -8.436 -18.628 369 HA ARG 56 HA ARG 56 -5.934 -6.519 -17.735 370 1HB ARG 56 2HB ARG 56 -6.310 -9.101 -18.668 371 2HB ARG 56 1HB ARG 56 -6.241 -9.325 -16.922 372 1HG ARG 56 2HG ARG 56 -8.536 -8.898 -17.502 373 2HG ARG 56 1HG ARG 56 -7.916 -7.457 -16.699 374 1HD ARG 56 2HD ARG 56 -9.229 -6.917 -18.747 375 2HD ARG 56 1HD ARG 56 -7.558 -6.365 -18.850 376 HE ARG 56 HE ARG 56 -7.620 -8.946 -19.984 377 1HH1 ARG 56 1HH2 ARG 56 -6.631 -6.600 -21.503 378 2HH1 ARG 56 2HH2 ARG 56 -7.803 -6.445 -22.769 379 1HH2 ARG 56 1HH1 ARG 56 -10.169 -8.423 -21.182 380 2HH2 ARG 56 2HH1 ARG 56 -9.805 -7.479 -22.589 381 H CYS 57 H CYS 57 -6.107 -6.264 -15.462 382 HA CYS 57 HA CYS 57 -3.708 -7.173 -13.960 383 1HB CYS 57 2HB CYS 57 -5.774 -5.253 -12.897 384 2HB CYS 57 1HB CYS 57 -4.069 -5.383 -12.474 385 H THR 58 H THR 58 -4.026 -8.248 -11.935 386 HA THR 58 HA THR 58 -6.400 -9.953 -11.894 387 HB THR 58 HB THR 58 -5.278 -11.177 -10.201 388 HG1 THR 58 HG1 THR 58 -3.252 -9.935 -9.382 389 1HG2 THR 58 1HG2 THR 58 -3.139 -9.885 -11.919 390 2HG2 THR 58 2HG2 THR 58 -4.120 -11.276 -12.373 391 3HG2 THR 58 3HG2 THR 58 -2.970 -11.405 -11.044 392 H GLY 59 H GLY 59 -7.273 -10.280 -9.454 393 1HA GLY 59 2HA GLY 59 -8.693 -7.859 -8.821 394 2HA GLY 59 1HA GLY 59 -8.696 -9.329 -7.847 395 H GLN 60 H GLN 60 -5.641 -9.177 -7.800 396 HA GLN 60 HA GLN 60 -5.363 -6.881 -5.904 397 1HB GLN 60 2HB GLN 60 -3.888 -9.428 -5.363 398 2HB GLN 60 1HB GLN 60 -4.460 -8.205 -4.231 399 1HG GLN 60 2HG GLN 60 -6.202 -9.565 -3.795 400 2HG GLN 60 1HG GLN 60 -6.791 -9.212 -5.419 401 1HE2 GLN 60 1HE2 GLN 60 -7.265 -11.137 -6.485 402 2HE2 GLN 60 2HE2 GLN 60 -6.349 -12.562 -6.382 403 H SER 61 H SER 61 -4.548 -6.741 -8.570 404 HA SER 61 HA SER 61 -1.586 -7.109 -8.381 405 1HB SER 61 2HB SER 61 -2.585 -8.360 -10.235 406 2HB SER 61 1HB SER 61 -3.373 -6.898 -10.822 407 HG SER 61 HG SER 61 -0.570 -7.267 -10.527 408 H ALA 62 H ALA 62 -0.493 -5.241 -8.060 409 HA ALA 62 HA ALA 62 -1.831 -2.668 -8.686 410 1HB ALA 62 1HB ALA 62 0.412 -1.836 -7.554 411 2HB ALA 62 2HB ALA 62 0.488 -3.500 -6.975 412 3HB ALA 62 3HB ALA 62 -0.894 -2.487 -6.563 413 H ASP 63 H ASP 63 0.805 -4.704 -9.748 414 HA ASP 63 HA ASP 63 1.707 -2.576 -11.623 415 1HB ASP 63 2HB ASP 63 3.035 -5.217 -11.104 416 2HB ASP 63 1HB ASP 63 3.738 -3.800 -11.872 417 H CYS 64 H CYS 64 2.624 -3.883 -13.756 418 HA CYS 64 HA CYS 64 0.499 -5.775 -14.623 419 1HB CYS 64 2HB CYS 64 -0.318 -3.696 -15.468 420 2HB CYS 64 1HB CYS 64 1.285 -3.199 -16.002 421 HA PRO 65 HA PRO 65 4.241 -7.659 -16.072 422 1HB PRO 65 2HB PRO 65 3.033 -10.079 -16.492 423 2HB PRO 65 1HB PRO 65 3.601 -9.547 -14.909 424 1HG PRO 65 2HG PRO 65 0.828 -9.792 -15.939 425 2HG PRO 65 1HG PRO 65 1.404 -9.781 -14.263 426 1HD PRO 65 2HD PRO 65 0.197 -7.614 -15.659 427 2HD PRO 65 1HD PRO 65 0.971 -7.548 -14.062 428 H ARG 66 H ARG 66 4.902 -8.497 -18.195 429 HA ARG 66 HA ARG 66 3.591 -7.304 -20.415 430 1HB ARG 66 2HB ARG 66 5.519 -9.646 -20.359 431 2HB ARG 66 1HB ARG 66 5.076 -8.733 -21.803 432 1HG ARG 66 2HG ARG 66 5.972 -6.679 -20.810 433 2HG ARG 66 1HG ARG 66 6.371 -7.550 -19.329 434 1HD ARG 66 2HD ARG 66 7.649 -9.131 -21.083 435 2HD ARG 66 1HD ARG 66 7.714 -7.619 -21.988 436 HE ARG 66 HE ARG 66 9.361 -6.920 -20.471 437 1HH1 ARG 66 1HH1 ARG 66 7.631 -6.649 -18.117 438 2HH1 ARG 66 2HH1 ARG 66 8.291 -7.800 -17.003 439 1HH2 ARG 66 1HH2 ARG 66 10.062 -9.531 -19.431 440 2HH2 ARG 66 2HH2 ARG 66 9.667 -9.432 -17.747 441 H TYR 67 H TYR 67 3.188 -9.094 -22.399 442 HA TYR 67 HA TYR 67 1.722 -11.443 -21.640 443 1HB TYR 67 2HB TYR 67 0.296 -9.048 -21.318 444 2HB TYR 67 1HB TYR 67 -0.279 -9.737 -22.834 445 HD1 TYR 67 HD1 TYR 67 -0.450 -12.492 -22.645 446 HD2 TYR 67 HD2 TYR 67 -0.951 -9.657 -19.455 447 HE1 TYR 67 HE1 TYR 67 -1.804 -14.145 -21.387 448 HE2 TYR 67 HE2 TYR 67 -2.303 -11.312 -18.197 449 HH TYR 67 HH TYR 67 -2.336 -14.513 -18.821 450 H HIS 68 HN HIS 68 2.215 -8.884 -24.036 451 HA HIS 68 HA HIS 68 2.542 -10.978 -26.101 452 1HB HIS 68 2HB HIS 68 0.418 -8.850 -26.109 453 2HB HIS 68 1HB HIS 68 1.109 -9.401 -27.636 454 HD1 HIS 68 HD1 HIS 68 0.269 -11.589 -28.549 455 HD2 HIS 68 HD2 HIS 68 -0.785 -11.057 -24.550 456 HE1 HIS 68 HE1 HIS 68 -1.286 -13.498 -27.958 Start of MODEL 3 1 1H GLY 1 1HT GLY 1 14.317 2.073 -7.751 2 2H GLY 1 2HT GLY 1 15.727 2.239 -6.817 3 3H GLY 1 3HT GLY 1 15.053 3.593 -7.593 4 1HA GLY 1 1HA GLY 1 14.542 3.641 -5.239 5 2HA GLY 1 2HA GLY 1 13.079 3.438 -6.202 6 H LYS 2 H LYS 2 13.786 2.541 -3.395 7 HA LYS 2 HA LYS 2 12.810 -0.230 -3.723 8 1HB LYS 2 2HB LYS 2 15.424 -0.044 -3.462 9 2HB LYS 2 1HB LYS 2 15.026 0.235 -1.767 10 1HG LYS 2 2HG LYS 2 13.561 -1.869 -1.930 11 2HG LYS 2 1HG LYS 2 14.392 -2.191 -3.453 12 1HD LYS 2 2HD LYS 2 16.070 -1.539 -1.069 13 2HD LYS 2 1HD LYS 2 15.325 -3.137 -1.139 14 1HE LYS 2 2HE LYS 2 16.990 -3.781 -2.510 15 2HE LYS 2 1HE LYS 2 16.348 -2.672 -3.722 16 1HZ LYS 2 1HZ LYS 2 18.741 -2.340 -3.057 17 2HZ LYS 2 2HZ LYS 2 18.164 -1.782 -1.560 18 3HZ LYS 2 3HZ LYS 2 17.755 -0.962 -2.991 19 H GLU 3 H GLU 3 14.085 1.676 -1.046 20 HA GLU 3 HA GLU 3 11.759 1.001 0.596 21 1HB GLU 3 2HB GLU 3 14.396 2.224 1.015 22 2HB GLU 3 1HB GLU 3 13.120 2.865 2.046 23 1HG GLU 3 2HG GLU 3 13.117 -0.075 1.772 24 2HG GLU 3 1HG GLU 3 14.539 0.581 2.585 25 H CYS 4 H CYS 4 10.316 2.126 -1.063 26 HA CYS 4 HA CYS 4 9.374 4.628 -0.040 27 1HB CYS 4 2HB CYS 4 11.307 4.709 -2.296 28 2HB CYS 4 1HB CYS 4 9.885 5.723 -2.449 29 H ASP 5 H ASP 5 7.808 2.616 -0.340 30 HA ASP 5 HA ASP 5 6.777 1.657 -2.690 31 1HB ASP 5 2HB ASP 5 5.867 1.218 -0.379 32 2HB ASP 5 1HB ASP 5 4.983 2.741 -0.510 33 H CYS 6 H CYS 6 6.341 4.947 -1.471 34 HA CYS 6 HA CYS 6 4.981 5.601 -4.061 35 1HB CYS 6 2HB CYS 6 4.592 6.710 -1.286 36 2HB CYS 6 1HB CYS 6 4.102 7.621 -2.707 37 H SER 7 H SER 7 5.416 7.910 -4.766 38 HA SER 7 HA SER 7 8.245 8.615 -4.124 39 1HB SER 7 2HB SER 7 6.813 8.346 -6.598 40 2HB SER 7 1HB SER 7 7.391 10.000 -6.433 41 HG SER 7 HG SER 7 9.260 9.211 -6.959 42 H SER 8 H SER 8 5.281 9.496 -3.167 43 HA SER 8 HA SER 8 6.074 12.368 -2.950 44 1HB SER 8 2HB SER 8 3.278 12.323 -2.851 45 2HB SER 8 1HB SER 8 4.268 12.895 -4.191 46 HG SER 8 HG SER 8 2.667 11.141 -4.595 47 HA PRO 9 HA PRO 9 5.382 11.581 1.345 48 1HB PRO 9 2HB PRO 9 5.537 14.192 2.182 49 2HB PRO 9 1HB PRO 9 6.952 13.225 1.732 50 1HG PRO 9 2HG PRO 9 5.624 15.422 0.219 51 2HG PRO 9 1HG PRO 9 7.304 14.866 0.147 52 1HD PRO 9 2HD PRO 9 5.266 14.259 -1.729 53 2HD PRO 9 1HD PRO 9 6.858 13.478 -1.619 54 H GLU 10 H GLU 10 3.475 14.061 -0.345 55 HA GLU 10 HA GLU 10 1.448 14.180 1.758 56 1HB GLU 10 2HB GLU 10 0.281 15.697 0.283 57 2HB GLU 10 1HB GLU 10 1.999 16.093 0.205 58 1HG GLU 10 2HG GLU 10 1.378 14.046 -1.733 59 2HG GLU 10 1HG GLU 10 0.305 15.429 -1.954 60 H ASN 11 H ASN 11 2.090 12.138 -0.920 61 HA ASN 11 HA ASN 11 -0.524 11.384 -1.706 62 1HB ASN 11 2HB ASN 11 1.631 10.717 -2.833 63 2HB ASN 11 1HB ASN 11 1.884 9.556 -1.529 64 1HD2 ASN 11 1HD2 ASN 11 1.669 8.426 -4.027 65 2HD2 ASN 11 2HD2 ASN 11 0.150 7.698 -4.237 66 HA PRO 12 HA PRO 12 -1.651 9.327 2.124 67 1HB PRO 12 2HB PRO 12 -4.280 8.953 1.417 68 2HB PRO 12 1HB PRO 12 -3.645 10.491 2.028 69 1HG PRO 12 2HG PRO 12 -4.429 9.762 -0.750 70 2HG PRO 12 1HG PRO 12 -4.362 11.357 0.015 71 1HD PRO 12 2HD PRO 12 -2.431 10.258 -1.766 72 2HD PRO 12 1HD PRO 12 -2.258 11.741 -0.803 73 H CYS 13 H CYS 13 -0.295 7.797 0.139 74 HA CYS 13 HA CYS 13 -1.920 5.284 0.052 75 1HB CYS 13 2HB CYS 13 -0.577 6.768 -2.049 76 2HB CYS 13 1HB CYS 13 0.064 5.138 -1.918 77 H CYS 14 H CYS 14 1.202 6.806 0.619 78 HA CYS 14 HA CYS 14 2.117 4.225 1.807 79 1HB CYS 14 2HB CYS 14 3.812 6.125 0.182 80 2HB CYS 14 1HB CYS 14 4.355 4.620 0.904 81 H ASP 15 H ASP 15 2.778 4.470 3.864 82 HA ASP 15 HA ASP 15 2.676 6.697 5.460 83 1HB ASP 15 2HB ASP 15 3.435 4.194 5.894 84 2HB ASP 15 1HB ASP 15 5.029 4.916 5.779 85 H ALA 16 H ALA 16 3.677 8.672 5.353 86 HA ALA 16 HA ALA 16 5.884 9.099 3.521 87 1HB ALA 16 1HB ALA 16 3.934 10.718 4.245 88 2HB ALA 16 2HB ALA 16 5.527 11.369 3.858 89 3HB ALA 16 3HB ALA 16 5.050 11.146 5.541 90 H ALA 17 H ALA 17 5.834 7.854 6.599 91 HA ALA 17 HA ALA 17 8.353 9.201 7.426 92 1HB ALA 17 1HB ALA 17 6.448 8.888 9.059 93 2HB ALA 17 2HB ALA 17 7.992 8.224 9.597 94 3HB ALA 17 3HB ALA 17 6.742 7.150 8.966 95 H THR 18 H THR 18 7.119 6.112 6.321 96 HA THR 18 HA THR 18 9.883 4.988 6.554 97 HB THR 18 HB THR 18 8.880 2.790 6.659 98 HG1 THR 18 HG1 THR 18 6.464 2.821 6.706 99 1HG2 THR 18 1HG2 THR 18 8.209 4.895 8.525 100 2HG2 THR 18 2HG2 THR 18 8.613 3.211 8.854 101 3HG2 THR 18 3HG2 THR 18 6.945 3.664 8.506 102 H CYS 19 H CYS 19 8.170 6.531 4.364 103 HA CYS 19 HA CYS 19 7.827 6.354 2.037 104 1HB CYS 19 2HB CYS 19 10.548 6.176 2.638 105 2HB CYS 19 1HB CYS 19 10.258 4.888 1.498 106 H LYS 20 H LYS 20 6.199 4.589 2.781 107 HA LYS 20 HA LYS 20 6.492 2.359 0.951 108 1HB LYS 20 2HB LYS 20 7.185 2.037 3.778 109 2HB LYS 20 1HB LYS 20 5.958 0.893 3.222 110 1HG LYS 20 2HG LYS 20 8.193 1.283 1.347 111 2HG LYS 20 1HG LYS 20 8.659 0.560 2.887 112 1HD LYS 20 2HD LYS 20 6.188 -0.516 1.642 113 2HD LYS 20 1HD LYS 20 7.700 -0.891 0.813 114 1HE LYS 20 2HE LYS 20 7.498 -2.655 2.352 115 2HE LYS 20 1HE LYS 20 8.572 -1.530 3.183 116 1HZ LYS 20 1HZ LYS 20 5.765 -1.032 3.613 117 2HZ LYS 20 2HZ LYS 20 7.045 -1.093 4.731 118 3HZ LYS 20 3HZ LYS 20 6.296 -2.528 4.212 119 H LEU 21 H LEU 21 4.432 1.052 0.956 120 HA LEU 21 HA LEU 21 2.145 2.614 0.917 121 1HB LEU 21 2HB LEU 21 2.619 -0.288 1.229 122 2HB LEU 21 1HB LEU 21 1.041 0.287 1.769 123 HG LEU 21 HG LEU 21 2.236 0.875 -0.954 124 1HD1 LEU 21 1HD1 LEU 21 1.591 -1.251 -1.412 125 2HD1 LEU 21 2HD1 LEU 21 -0.053 -0.616 -1.322 126 3HD1 LEU 21 3HD1 LEU 21 0.676 -1.381 0.091 127 1HD2 LEU 21 1HD2 LEU 21 -0.434 1.310 -1.131 128 2HD2 LEU 21 2HD2 LEU 21 0.747 2.573 -0.781 129 3HD2 LEU 21 3HD2 LEU 21 -0.132 1.797 0.537 130 H ARG 22 H ARG 22 0.199 2.251 2.381 131 HA ARG 22 HA ARG 22 1.056 2.465 5.228 132 1HB ARG 22 2HB ARG 22 -0.431 4.308 3.602 133 2HB ARG 22 1HB ARG 22 -1.511 3.658 4.835 134 1HG ARG 22 2HG ARG 22 0.696 4.108 6.342 135 2HG ARG 22 1HG ARG 22 0.881 5.385 5.139 136 1HD ARG 22 2HD ARG 22 -1.842 5.423 5.820 137 2HD ARG 22 1HD ARG 22 -0.992 5.215 7.352 138 HE ARG 22 HE ARG 22 0.414 7.249 6.505 139 1HH1 ARG 22 1HH2 ARG 22 -1.859 7.124 4.243 140 2HH1 ARG 22 2HH2 ARG 22 -2.729 8.555 4.682 141 1HH2 ARG 22 1HH1 ARG 22 -1.153 8.887 7.755 142 2HH2 ARG 22 2HH1 ARG 22 -2.330 9.553 6.672 143 HA PRO 23 HA PRO 23 -1.444 -1.134 5.718 144 1HB PRO 23 2HB PRO 23 -1.917 -0.852 8.430 145 2HB PRO 23 1HB PRO 23 -0.415 -1.496 7.742 146 1HG PRO 23 2HG PRO 23 -0.967 1.260 8.816 147 2HG PRO 23 1HG PRO 23 0.521 0.296 8.912 148 1HD PRO 23 2HD PRO 23 0.204 2.349 7.090 149 2HD PRO 23 1HD PRO 23 1.236 0.939 6.796 150 H GLY 24 H GLY 24 -3.126 -0.118 4.413 151 1HA GLY 24 2HA GLY 24 -5.682 -0.064 5.620 152 2HA GLY 24 1HA GLY 24 -5.159 1.610 5.397 153 H ALA 25 H ALA 25 -3.605 1.212 3.073 154 HA ALA 25 HA ALA 25 -5.722 0.916 1.055 155 1HB ALA 25 1HB ALA 25 -4.207 2.918 1.069 156 2HB ALA 25 2HB ALA 25 -4.162 2.017 -0.447 157 3HB ALA 25 3HB ALA 25 -2.857 1.836 0.726 158 H GLN 26 H GLN 26 -4.044 0.215 -1.122 159 HA GLN 26 HA GLN 26 -2.811 -2.366 -0.375 160 1HB GLN 26 2HB GLN 26 -5.410 -2.079 -1.657 161 2HB GLN 26 1HB GLN 26 -4.300 -3.071 -2.600 162 1HG GLN 26 2HG GLN 26 -4.420 -4.768 -1.115 163 2HG GLN 26 1HG GLN 26 -4.165 -3.681 0.250 164 1HE2 GLN 26 1HE2 GLN 26 -6.821 -3.953 -2.186 165 2HE2 GLN 26 2HE2 GLN 26 -8.063 -4.044 -1.032 166 H CYS 27 H CYS 27 -2.357 0.416 -1.840 167 HA CYS 27 HA CYS 27 -0.202 -0.435 -3.466 168 1HB CYS 27 2HB CYS 27 -1.047 -0.183 -5.705 169 2HB CYS 27 1HB CYS 27 -2.125 -1.302 -4.872 170 H GLY 28 H GLY 28 1.028 1.362 -4.074 171 1HA GLY 28 2HA GLY 28 -0.172 4.000 -3.358 172 2HA GLY 28 1HA GLY 28 1.537 3.621 -3.198 173 H GLU 29 H GLU 29 1.175 2.161 -5.926 174 HA GLU 29 HA GLU 29 0.514 4.106 -7.890 175 1HB GLU 29 2HB GLU 29 2.963 4.634 -8.529 176 2HB GLU 29 1HB GLU 29 2.277 5.501 -7.160 177 1HG GLU 29 2HG GLU 29 3.908 4.693 -5.844 178 2HG GLU 29 1HG GLU 29 3.342 3.055 -6.167 179 H GLY 30 H GLY 30 0.027 2.693 -9.490 180 1HA GLY 30 2HA GLY 30 2.035 0.992 -10.663 181 2HA GLY 30 1HA GLY 30 0.859 0.046 -9.750 182 H LEU 31 H LEU 31 0.931 -0.422 -12.434 183 HA LEU 31 HA LEU 31 -0.725 1.283 -14.024 184 1HB LEU 31 2HB LEU 31 0.520 -1.309 -14.285 185 2HB LEU 31 1HB LEU 31 -1.076 -1.291 -15.027 186 HG LEU 31 HG LEU 31 1.149 0.703 -15.545 187 1HD1 LEU 31 1HD1 LEU 31 1.302 -0.317 -17.736 188 2HD1 LEU 31 2HD1 LEU 31 -0.070 -1.369 -17.391 189 3HD1 LEU 31 3HD1 LEU 31 1.453 -1.594 -16.530 190 1HD2 LEU 31 1HD2 LEU 31 -1.737 0.533 -16.355 191 2HD2 LEU 31 2HD2 LEU 31 -0.572 1.215 -17.490 192 3HD2 LEU 31 3HD2 LEU 31 -0.789 1.948 -15.900 193 H CYS 32 H CYS 32 -1.458 -1.532 -11.989 194 HA CYS 32 HA CYS 32 -4.360 -0.998 -12.451 195 1HB CYS 32 2HB CYS 32 -3.931 -3.413 -10.948 196 2HB CYS 32 1HB CYS 32 -4.656 -3.229 -12.540 197 H CYS 33 H CYS 33 -3.155 0.797 -10.779 198 HA CYS 33 HA CYS 33 -4.036 -0.120 -8.069 199 1HB CYS 33 2HB CYS 33 -1.688 0.216 -7.893 200 2HB CYS 33 1HB CYS 33 -1.739 1.671 -8.884 201 H GLU 34 H GLU 34 -5.938 0.854 -7.607 202 HA GLU 34 HA GLU 34 -6.645 3.416 -8.880 203 1HB GLU 34 2HB GLU 34 -8.849 3.047 -7.989 204 2HB GLU 34 1HB GLU 34 -8.277 1.497 -8.607 205 1HG GLU 34 2HG GLU 34 -8.552 0.587 -6.571 206 2HG GLU 34 1HG GLU 34 -7.388 1.734 -5.905 207 H GLN 35 H GLN 35 -8.250 4.450 -6.767 208 HA GLN 35 HA GLN 35 -6.384 6.087 -5.412 209 1HB GLN 35 2HB GLN 35 -9.210 5.373 -4.571 210 2HB GLN 35 1HB GLN 35 -8.279 6.748 -3.975 211 1HG GLN 35 2HG GLN 35 -8.551 7.945 -5.905 212 2HG GLN 35 1HG GLN 35 -8.480 6.507 -6.926 213 1HE2 GLN 35 1HE2 GLN 35 -10.546 8.810 -6.683 214 2HE2 GLN 35 2HE2 GLN 35 -12.029 8.001 -6.531 215 H CYS 36 H CYS 36 -4.782 4.795 -4.434 216 HA CYS 36 HA CYS 36 -3.859 3.310 -2.854 217 1HB CYS 36 2HB CYS 36 -5.943 4.779 -1.203 218 2HB CYS 36 1HB CYS 36 -4.615 3.832 -0.535 219 H LYS 37 H LYS 37 -5.626 1.934 -4.432 220 HA LYS 37 HA LYS 37 -6.533 -0.137 -2.547 221 1HB LYS 37 2HB LYS 37 -8.395 1.759 -3.382 222 2HB LYS 37 1HB LYS 37 -8.657 0.405 -4.481 223 1HG LYS 37 2HG LYS 37 -10.034 0.177 -2.438 224 2HG LYS 37 1HG LYS 37 -8.855 -1.128 -2.566 225 1HD LYS 37 2HD LYS 37 -7.502 -0.251 -0.869 226 2HD LYS 37 1HD LYS 37 -8.154 1.377 -1.057 227 1HE LYS 37 2HE LYS 37 -8.920 -0.045 0.993 228 2HE LYS 37 1HE LYS 37 -10.135 0.857 0.087 229 1HZ LYS 37 1HZ LYS 37 -10.802 -1.074 -1.047 230 2HZ LYS 37 2HZ LYS 37 -10.671 -1.534 0.583 231 3HZ LYS 37 3HZ LYS 37 -9.454 -1.960 -0.523 232 H PHE 38 H PHE 38 -6.316 -2.150 -3.490 233 HA PHE 38 HA PHE 38 -4.886 -2.488 -5.900 234 1HB PHE 38 2HB PHE 38 -6.485 -4.260 -4.128 235 2HB PHE 38 1HB PHE 38 -6.206 -4.845 -5.766 236 HD1 PHE 38 HD1 PHE 38 -3.561 -3.731 -6.399 237 HD2 PHE 38 HD2 PHE 38 -5.007 -5.499 -2.762 238 HE1 PHE 38 HE1 PHE 38 -1.245 -4.376 -5.793 239 HE2 PHE 38 HE2 PHE 38 -2.690 -6.143 -2.154 240 HZ PHE 38 HZ PHE 38 -0.809 -5.582 -3.670 241 H SER 39 H SER 39 -5.588 -1.827 -7.892 242 HA SER 39 HA SER 39 -8.196 -1.223 -8.674 243 1HB SER 39 2HB SER 39 -7.467 -1.476 -10.963 244 2HB SER 39 1HB SER 39 -6.092 -0.870 -10.044 245 HG SER 39 HG SER 39 -6.551 -3.381 -11.173 246 H ARG 40 H ARG 40 -9.613 -2.576 -10.207 247 HA ARG 40 HA ARG 40 -9.991 -5.193 -8.973 248 1HB ARG 40 2HB ARG 40 -11.550 -3.766 -11.108 249 2HB ARG 40 1HB ARG 40 -12.029 -5.292 -10.380 250 1HG ARG 40 2HG ARG 40 -12.739 -4.295 -8.465 251 2HG ARG 40 1HG ARG 40 -11.382 -3.167 -8.442 252 1HD ARG 40 2HD ARG 40 -12.896 -1.598 -9.048 253 2HD ARG 40 1HD ARG 40 -12.816 -2.333 -10.649 254 HE ARG 40 HE ARG 40 -14.757 -3.515 -8.760 255 1HH1 ARG 40 1HH1 ARG 40 -14.165 -1.073 -11.098 256 2HH1 ARG 40 2HH1 ARG 40 -15.737 -1.185 -11.816 257 1HH2 ARG 40 1HH2 ARG 40 -16.757 -3.824 -9.812 258 2HH2 ARG 40 2HH2 ARG 40 -17.207 -2.743 -11.087 259 H ALA 41 H ALA 41 -9.852 -7.181 -10.093 260 HA ALA 41 HA ALA 41 -7.802 -7.470 -12.002 261 1HB ALA 41 1HB ALA 41 -8.219 -9.599 -11.360 262 2HB ALA 41 2HB ALA 41 -9.569 -9.592 -12.494 263 3HB ALA 41 3HB ALA 41 -9.837 -9.172 -10.802 264 H GLY 42 H GLY 42 -8.691 -8.844 -14.195 265 1HA GLY 42 2HA GLY 42 -9.393 -8.331 -16.388 266 2HA GLY 42 1HA GLY 42 -10.919 -7.923 -15.602 267 H LYS 43 H LYS 43 -8.003 -6.214 -14.738 268 HA LYS 43 HA LYS 43 -9.213 -3.739 -15.792 269 1HB LYS 43 2HB LYS 43 -8.451 -3.409 -13.595 270 2HB LYS 43 1HB LYS 43 -6.991 -4.350 -13.862 271 1HG LYS 43 2HG LYS 43 -6.312 -2.052 -13.792 272 2HG LYS 43 1HG LYS 43 -6.254 -2.528 -15.487 273 1HD LYS 43 2HD LYS 43 -7.920 -1.102 -16.061 274 2HD LYS 43 1HD LYS 43 -8.880 -1.515 -14.639 275 1HE LYS 43 2HE LYS 43 -8.279 0.762 -14.322 276 2HE LYS 43 1HE LYS 43 -7.171 -0.146 -13.293 277 1HZ LYS 43 1HZ LYS 43 -6.640 1.116 -15.909 278 2HZ LYS 43 2HZ LYS 43 -5.641 -0.123 -15.312 279 3HZ LYS 43 3HZ LYS 43 -5.813 1.327 -14.443 280 H ILE 44 H ILE 44 -8.514 -2.816 -17.679 281 HA ILE 44 HA ILE 44 -6.416 -4.146 -19.200 282 HB ILE 44 HB ILE 44 -8.260 -3.277 -20.450 283 1HG1 ILE 44 2HG1 ILE 44 -7.125 -1.452 -21.852 284 2HG1 ILE 44 1HG1 ILE 44 -5.764 -1.586 -20.738 285 1HG2 ILE 44 1HG2 ILE 44 -9.376 -1.605 -19.422 286 2HG2 ILE 44 2HG2 ILE 44 -8.246 -0.528 -20.244 287 3HG2 ILE 44 3HG2 ILE 44 -7.931 -1.039 -18.585 288 1HD1 ILE 44 1HD1 ILE 44 -6.191 -4.212 -21.295 289 2HD1 ILE 44 2HD1 ILE 44 -5.069 -3.197 -22.200 290 3HD1 ILE 44 3HD1 ILE 44 -6.696 -3.480 -22.817 291 H CYS 45 H CYS 45 -4.496 -3.870 -18.104 292 HA CYS 45 HA CYS 45 -3.575 -1.250 -17.193 293 1HB CYS 45 2HB CYS 45 -1.409 -2.539 -16.816 294 2HB CYS 45 1HB CYS 45 -2.813 -3.123 -15.930 295 H ARG 46 H ARG 46 -3.523 -2.972 -20.160 296 HA ARG 46 HA ARG 46 -2.038 -0.810 -21.438 297 1HB ARG 46 2HB ARG 46 -0.659 -3.241 -20.605 298 2HB ARG 46 1HB ARG 46 -0.560 -2.997 -22.350 299 1HG ARG 46 2HG ARG 46 0.571 -0.976 -22.142 300 2HG ARG 46 1HG ARG 46 -0.075 -0.663 -20.531 301 1HD ARG 46 2HD ARG 46 2.307 -1.257 -20.395 302 2HD ARG 46 1HD ARG 46 1.320 -2.498 -19.625 303 HE ARG 46 HE ARG 46 1.615 -3.380 -22.246 304 1HH1 ARG 46 1HH2 ARG 46 2.763 -4.857 -19.913 305 2HH1 ARG 46 2HH2 ARG 46 4.459 -4.837 -20.265 306 1HH2 ARG 46 1HH1 ARG 46 4.211 -2.296 -22.612 307 2HH2 ARG 46 2HH1 ARG 46 5.279 -3.386 -21.793 308 H ILE 47 H ILE 47 -3.501 -0.545 -23.076 309 HA ILE 47 HA ILE 47 -4.953 -2.760 -24.254 310 HB ILE 47 HB ILE 47 -5.916 -0.502 -24.203 311 1HG1 ILE 47 2HG1 ILE 47 -6.563 -0.344 -26.601 312 2HG1 ILE 47 1HG1 ILE 47 -5.273 -1.478 -27.005 313 1HG2 ILE 47 1HG2 ILE 47 -4.027 0.418 -26.334 314 2HG2 ILE 47 2HG2 ILE 47 -3.469 0.453 -24.661 315 3HG2 ILE 47 3HG2 ILE 47 -4.906 1.362 -25.129 316 1HD1 ILE 47 1HD1 ILE 47 -7.449 -2.131 -25.008 317 2HD1 ILE 47 2HD1 ILE 47 -6.306 -3.242 -25.762 318 3HD1 ILE 47 3HD1 ILE 47 -7.589 -2.507 -26.725 319 H ALA 48 H ALA 48 -4.005 -4.200 -25.609 320 HA ALA 48 HA ALA 48 -1.457 -4.029 -26.738 321 1HB ALA 48 1HB ALA 48 -3.150 -5.398 -28.603 322 2HB ALA 48 2HB ALA 48 -3.696 -5.772 -26.968 323 3HB ALA 48 3HB ALA 48 -2.025 -6.089 -27.436 324 H LYS 49 H LYS 49 -0.781 -3.620 -28.971 325 HA LYS 49 HA LYS 49 -2.477 -1.570 -30.310 326 1HB LYS 49 2HB LYS 49 0.477 -1.663 -30.632 327 2HB LYS 49 1HB LYS 49 -0.605 -0.286 -30.806 328 1HG LYS 49 2HG LYS 49 -0.973 -1.094 -28.166 329 2HG LYS 49 1HG LYS 49 0.763 -1.277 -28.422 330 1HD LYS 49 2HD LYS 49 0.443 0.979 -27.699 331 2HD LYS 49 1HD LYS 49 0.730 1.062 -29.438 332 1HE LYS 49 2HE LYS 49 -1.174 2.487 -28.835 333 2HE LYS 49 1HE LYS 49 -1.720 1.132 -29.823 334 1HZ LYS 49 1HZ LYS 49 -2.568 0.029 -27.959 335 2HZ LYS 49 2HZ LYS 49 -3.051 1.645 -27.754 336 3HZ LYS 49 3HZ LYS 49 -1.741 1.029 -26.866 337 H GLY 50 H GLY 50 0.270 -3.649 -31.055 338 1HA GLY 50 2HA GLY 50 -0.243 -3.853 -33.835 339 2HA GLY 50 1HA GLY 50 0.706 -5.015 -32.911 340 H ASP 51 H ASP 51 -0.139 -7.036 -32.832 341 HA ASP 51 HA ASP 51 -3.077 -7.360 -32.965 342 1HB ASP 51 2HB ASP 51 -1.351 -7.962 -35.072 343 2HB ASP 51 1HB ASP 51 -1.679 -9.511 -34.299 344 H TRP 52 H TRP 52 -3.540 -8.241 -31.008 345 HA TRP 52 HA TRP 52 -2.696 -10.858 -30.290 346 1HB TRP 52 2HB TRP 52 -1.497 -9.686 -28.082 347 2HB TRP 52 1HB TRP 52 -0.643 -10.454 -29.417 348 HD1 TRP 52 HD1 TRP 52 -2.382 -6.999 -29.211 349 HE1 TRP 52 HE1 TRP 52 -0.689 -5.206 -29.953 350 HE3 TRP 52 HE3 TRP 52 1.725 -9.933 -29.988 351 HZ2 TRP 52 HZ2 TRP 52 2.043 -5.033 -30.768 352 HZ3 TRP 52 HZ3 TRP 52 3.860 -8.928 -30.747 353 HH2 TRP 52 HH2 TRP 52 4.025 -6.484 -31.138 354 H ASN 53 H ASN 53 -2.945 -10.807 -27.534 355 HA ASN 53 HA ASN 53 -5.764 -9.965 -27.266 356 1HB ASN 53 2HB ASN 53 -4.092 -12.025 -26.131 357 2HB ASN 53 1HB ASN 53 -4.829 -11.081 -24.837 358 1HD2 ASN 53 1HD2 ASN 53 -6.315 -12.849 -24.293 359 2HD2 ASN 53 2HD2 ASN 53 -7.625 -13.231 -25.301 360 H ASP 54 H ASP 54 -6.439 -8.769 -25.295 361 HA ASP 54 HA ASP 54 -4.752 -6.446 -24.871 362 1HB ASP 54 2HB ASP 54 -6.567 -5.905 -23.130 363 2HB ASP 54 1HB ASP 54 -7.097 -6.044 -24.807 364 H ASP 55 H ASP 55 -4.692 -5.771 -22.321 365 HA ASP 55 HA ASP 55 -3.425 -8.082 -20.908 366 1HB ASP 55 2HB ASP 55 -2.231 -5.678 -21.741 367 2HB ASP 55 1HB ASP 55 -2.463 -5.520 -20.003 368 H ARG 56 H ARG 56 -4.664 -8.625 -19.184 369 HA ARG 56 HA ARG 56 -6.242 -6.491 -17.830 370 1HB ARG 56 2HB ARG 56 -6.568 -9.475 -17.698 371 2HB ARG 56 1HB ARG 56 -7.655 -8.280 -17.005 372 1HG ARG 56 2HG ARG 56 -7.090 -7.895 -19.873 373 2HG ARG 56 1HG ARG 56 -7.957 -9.385 -19.498 374 1HD ARG 56 2HD ARG 56 -9.050 -7.229 -17.938 375 2HD ARG 56 1HD ARG 56 -9.021 -6.761 -19.635 376 HE ARG 56 HE ARG 56 -10.958 -8.444 -18.614 377 1HH1 ARG 56 1HH1 ARG 56 -9.507 -7.903 -21.519 378 2HH1 ARG 56 2HH1 ARG 56 -9.792 -9.473 -22.190 379 1HH2 ARG 56 1HH2 ARG 56 -10.846 -10.854 -19.188 380 2HH2 ARG 56 2HH2 ARG 56 -10.552 -11.146 -20.870 381 H CYS 57 H CYS 57 -6.165 -6.352 -15.530 382 HA CYS 57 HA CYS 57 -3.711 -7.557 -14.344 383 1HB CYS 57 2HB CYS 57 -5.389 -5.149 -13.651 384 2HB CYS 57 1HB CYS 57 -4.344 -5.884 -12.441 385 H THR 58 H THR 58 -3.996 -8.329 -12.038 386 HA THR 58 HA THR 58 -6.450 -9.949 -11.863 387 HB THR 58 HB THR 58 -5.342 -11.173 -10.161 388 HG1 THR 58 HG1 THR 58 -4.167 -10.187 -8.746 389 1HG2 THR 58 1HG2 THR 58 -4.287 -11.275 -12.468 390 2HG2 THR 58 2HG2 THR 58 -3.231 -11.750 -11.138 391 3HG2 THR 58 3HG2 THR 58 -3.064 -10.154 -11.870 392 H GLY 59 H GLY 59 -7.344 -10.087 -9.458 393 1HA GLY 59 2HA GLY 59 -8.164 -7.337 -8.779 394 2HA GLY 59 1HA GLY 59 -8.860 -8.816 -8.118 395 H GLN 60 H GLN 60 -5.446 -8.798 -8.123 396 HA GLN 60 HA GLN 60 -5.298 -7.662 -5.386 397 1HB GLN 60 2HB GLN 60 -4.630 -10.505 -6.160 398 2HB GLN 60 1HB GLN 60 -3.914 -9.736 -4.743 399 1HG GLN 60 2HG GLN 60 -6.148 -9.284 -3.831 400 2HG GLN 60 1HG GLN 60 -6.890 -9.996 -5.263 401 1HE2 GLN 60 1HE2 GLN 60 -6.494 -10.787 -2.172 402 2HE2 GLN 60 2HE2 GLN 60 -6.158 -12.447 -2.288 403 H SER 61 H SER 61 -4.211 -7.246 -8.282 404 HA SER 61 HA SER 61 -1.334 -7.069 -7.471 405 1HB SER 61 2HB SER 61 -2.000 -8.630 -9.433 406 2HB SER 61 1HB SER 61 -2.282 -7.143 -10.335 407 HG SER 61 HG SER 61 -0.098 -8.110 -10.428 408 H ALA 62 H ALA 62 -0.268 -5.094 -7.925 409 HA ALA 62 HA ALA 62 -2.108 -2.850 -8.636 410 1HB ALA 62 1HB ALA 62 0.416 -2.960 -6.974 411 2HB ALA 62 2HB ALA 62 -1.203 -2.490 -6.457 412 3HB ALA 62 3HB ALA 62 -0.282 -1.438 -7.531 413 H ASP 63 H ASP 63 0.506 -4.691 -9.778 414 HA ASP 63 HA ASP 63 1.251 -2.527 -11.701 415 1HB ASP 63 2HB ASP 63 2.930 -4.952 -11.283 416 2HB ASP 63 1HB ASP 63 3.422 -3.339 -11.780 417 H CYS 64 H CYS 64 2.017 -3.551 -13.879 418 HA CYS 64 HA CYS 64 0.142 -5.779 -14.563 419 1HB CYS 64 2HB CYS 64 -0.664 -3.685 -15.512 420 2HB CYS 64 1HB CYS 64 0.913 -3.365 -16.230 421 HA PRO 65 HA PRO 65 3.889 -7.714 -15.840 422 1HB PRO 65 2HB PRO 65 2.661 -10.055 -16.544 423 2HB PRO 65 1HB PRO 65 3.057 -9.635 -14.877 424 1HG PRO 65 2HG PRO 65 0.417 -9.692 -16.244 425 2HG PRO 65 1HG PRO 65 0.788 -9.829 -14.517 426 1HD PRO 65 2HD PRO 65 -0.179 -7.520 -15.847 427 2HD PRO 65 1HD PRO 65 0.453 -7.597 -14.189 428 H ARG 66 H ARG 66 4.613 -8.856 -17.904 429 HA ARG 66 HA ARG 66 3.402 -7.516 -20.225 430 1HB ARG 66 2HB ARG 66 5.910 -9.206 -20.111 431 2HB ARG 66 1HB ARG 66 5.434 -8.101 -21.400 432 1HG ARG 66 2HG ARG 66 6.257 -6.314 -20.294 433 2HG ARG 66 1HG ARG 66 5.451 -6.786 -18.799 434 1HD ARG 66 2HD ARG 66 7.463 -7.370 -17.976 435 2HD ARG 66 1HD ARG 66 7.513 -8.669 -19.168 436 HE ARG 66 HE ARG 66 8.373 -6.465 -20.592 437 1HH1 ARG 66 1HH1 ARG 66 9.287 -8.210 -17.767 438 2HH1 ARG 66 2HH1 ARG 66 10.916 -7.624 -17.769 439 1HH2 ARG 66 1HH2 ARG 66 10.462 -5.579 -20.531 440 2HH2 ARG 66 2HH2 ARG 66 11.581 -6.137 -19.333 441 H TYR 67 H TYR 67 1.733 -8.655 -21.133 442 HA TYR 67 HA TYR 67 2.161 -11.549 -21.591 443 1HB TYR 67 2HB TYR 67 0.475 -11.079 -19.786 444 2HB TYR 67 1HB TYR 67 -0.496 -10.285 -21.017 445 HD1 TYR 67 HD1 TYR 67 -2.307 -11.644 -21.597 446 HD2 TYR 67 HD2 TYR 67 1.574 -13.405 -21.053 447 HE1 TYR 67 HE1 TYR 67 -3.202 -13.838 -22.324 448 HE2 TYR 67 HE2 TYR 67 0.678 -15.601 -21.779 449 HH TYR 67 HH TYR 67 -1.322 -16.365 -23.276 450 H HIS 68 HN HIS 68 2.895 -9.674 -23.493 451 HA HIS 68 HA HIS 68 0.678 -9.279 -25.373 452 1HB HIS 68 2HB HIS 68 2.647 -8.540 -26.892 453 2HB HIS 68 1HB HIS 68 2.287 -7.554 -25.475 454 HD1 HIS 68 HD1 HIS 68 4.611 -6.763 -24.858 455 HD2 HIS 68 HD2 HIS 68 4.425 -10.898 -25.361 456 HE1 HIS 68 HE1 HIS 68 6.837 -7.681 -24.073 Start of MODEL 4 1 1H GLY 1 1HT GLY 1 16.428 -2.968 -7.710 2 2H GLY 1 2HT GLY 1 17.411 -2.699 -6.351 3 3H GLY 1 3HT GLY 1 15.941 -1.863 -6.520 4 1HA GLY 1 1HA GLY 1 15.802 -4.775 -6.528 5 2HA GLY 1 2HA GLY 1 16.179 -3.993 -4.992 6 H LYS 2 H LYS 2 14.294 -3.913 -3.849 7 HA LYS 2 HA LYS 2 12.009 -2.478 -5.049 8 1HB LYS 2 2HB LYS 2 11.739 -4.985 -5.495 9 2HB LYS 2 1HB LYS 2 11.561 -5.172 -3.750 10 1HG LYS 2 2HG LYS 2 9.651 -3.658 -3.740 11 2HG LYS 2 1HG LYS 2 9.861 -3.335 -5.463 12 1HD LYS 2 2HD LYS 2 8.759 -5.218 -6.037 13 2HD LYS 2 1HD LYS 2 9.712 -6.191 -4.918 14 1HE LYS 2 2HE LYS 2 7.800 -4.412 -3.577 15 2HE LYS 2 1HE LYS 2 7.032 -5.611 -4.617 16 1HZ LYS 2 1HZ LYS 2 8.051 -7.357 -3.464 17 2HZ LYS 2 2HZ LYS 2 7.506 -6.301 -2.250 18 3HZ LYS 2 3HZ LYS 2 9.150 -6.330 -2.680 19 H GLU 3 H GLU 3 12.173 -0.860 -3.508 20 HA GLU 3 HA GLU 3 11.356 -1.591 -0.765 21 1HB GLU 3 2HB GLU 3 14.056 -0.814 -1.497 22 2HB GLU 3 1HB GLU 3 13.355 0.314 -0.339 23 1HG GLU 3 2HG GLU 3 12.602 -1.836 0.932 24 2HG GLU 3 1HG GLU 3 13.832 -2.643 -0.042 25 H CYS 4 H CYS 4 10.083 -0.243 -2.970 26 HA CYS 4 HA CYS 4 9.381 2.227 -1.550 27 1HB CYS 4 2HB CYS 4 10.494 2.244 -4.366 28 2HB CYS 4 1HB CYS 4 9.642 3.605 -3.639 29 H ASP 5 H ASP 5 7.438 0.712 -1.425 30 HA ASP 5 HA ASP 5 5.905 -0.249 -3.532 31 1HB ASP 5 2HB ASP 5 5.452 0.012 -0.879 32 2HB ASP 5 1HB ASP 5 4.374 1.268 -1.489 33 H CYS 6 H CYS 6 6.088 3.086 -2.373 34 HA CYS 6 HA CYS 6 4.527 3.948 -4.765 35 1HB CYS 6 2HB CYS 6 3.767 5.807 -3.496 36 2HB CYS 6 1HB CYS 6 3.739 4.473 -2.355 37 H SER 7 H SER 7 5.277 6.372 -5.348 38 HA SER 7 HA SER 7 8.254 6.497 -5.215 39 1HB SER 7 2HB SER 7 8.391 7.000 -7.580 40 2HB SER 7 1HB SER 7 7.488 5.500 -7.394 41 HG SER 7 HG SER 7 6.443 8.114 -7.781 42 H SER 8 H SER 8 6.063 7.991 -3.834 43 HA SER 8 HA SER 8 7.065 10.687 -4.484 44 1HB SER 8 2HB SER 8 4.291 11.067 -4.176 45 2HB SER 8 1HB SER 8 5.238 11.296 -5.644 46 HG SER 8 HG SER 8 3.747 9.784 -6.165 47 HA PRO 9 HA PRO 9 6.690 10.748 -0.060 48 1HB PRO 9 2HB PRO 9 7.603 13.319 0.270 49 2HB PRO 9 1HB PRO 9 8.667 11.939 -0.058 50 1HG PRO 9 2HG PRO 9 7.821 14.133 -1.889 51 2HG PRO 9 1HG PRO 9 9.285 13.135 -1.934 52 1HD PRO 9 2HD PRO 9 6.990 12.808 -3.570 53 2HD PRO 9 1HD PRO 9 8.324 11.648 -3.389 54 H GLU 10 H GLU 10 4.905 12.617 -2.276 55 HA GLU 10 HA GLU 10 3.352 13.985 -0.137 56 1HB GLU 10 2HB GLU 10 3.518 14.299 -3.135 57 2HB GLU 10 1HB GLU 10 2.176 14.988 -2.221 58 1HG GLU 10 2HG GLU 10 5.104 15.522 -1.641 59 2HG GLU 10 1HG GLU 10 4.045 16.608 -2.542 60 H ASN 11 H ASN 11 3.299 11.247 -2.177 61 HA ASN 11 HA ASN 11 0.500 10.903 -2.555 62 1HB ASN 11 2HB ASN 11 2.753 9.547 -3.316 63 2HB ASN 11 1HB ASN 11 2.080 8.453 -2.109 64 1HD2 ASN 11 1HD2 ASN 11 1.553 6.945 -3.924 65 2HD2 ASN 11 2HD2 ASN 11 0.192 7.240 -4.893 66 HA PRO 12 HA PRO 12 -0.570 9.966 1.662 67 1HB PRO 12 2HB PRO 12 -3.190 9.299 1.153 68 2HB PRO 12 1HB PRO 12 -2.608 10.971 1.234 69 1HG PRO 12 2HG PRO 12 -3.351 9.357 -1.162 70 2HG PRO 12 1HG PRO 12 -3.381 11.115 -0.940 71 1HD PRO 12 2HD PRO 12 -1.393 9.653 -2.327 72 2HD PRO 12 1HD PRO 12 -1.270 11.348 -1.809 73 H CYS 13 H CYS 13 -1.264 7.837 -1.053 74 HA CYS 13 HA CYS 13 -2.013 5.426 0.120 75 1HB CYS 13 2HB CYS 13 -0.173 6.094 -2.166 76 2HB CYS 13 1HB CYS 13 -0.369 4.420 -1.672 77 H CYS 14 H CYS 14 1.326 6.675 -0.179 78 HA CYS 14 HA CYS 14 2.076 4.536 1.750 79 1HB CYS 14 2HB CYS 14 4.177 4.366 0.653 80 2HB CYS 14 1HB CYS 14 3.029 4.597 -0.663 81 H ASP 15 H ASP 15 4.594 5.280 2.229 82 HA ASP 15 HA ASP 15 4.387 7.753 3.878 83 1HB ASP 15 2HB ASP 15 4.540 5.114 4.737 84 2HB ASP 15 1HB ASP 15 6.192 5.676 4.806 85 H ALA 16 H ALA 16 6.021 9.177 3.389 86 HA ALA 16 HA ALA 16 8.020 8.516 1.426 87 1HB ALA 16 1HB ALA 16 6.988 10.818 1.903 88 2HB ALA 16 2HB ALA 16 8.728 10.775 1.618 89 3HB ALA 16 3HB ALA 16 8.108 10.908 3.263 90 H ALA 17 H ALA 17 7.863 7.938 4.762 91 HA ALA 17 HA ALA 17 10.559 8.368 5.570 92 1HB ALA 17 1HB ALA 17 9.949 7.302 7.495 93 2HB ALA 17 2HB ALA 17 9.227 5.943 6.632 94 3HB ALA 17 3HB ALA 17 8.325 7.447 6.823 95 H THR 18 H THR 18 9.058 5.789 3.715 96 HA THR 18 HA THR 18 11.739 4.823 2.957 97 HB THR 18 HB THR 18 11.107 3.500 4.986 98 HG1 THR 18 HG1 THR 18 10.865 1.611 3.020 99 1HG2 THR 18 1HG2 THR 18 8.598 3.371 3.539 100 2HG2 THR 18 2HG2 THR 18 8.941 2.938 5.213 101 3HG2 THR 18 3HG2 THR 18 9.181 1.752 3.931 102 H CYS 19 H CYS 19 9.583 6.189 1.584 103 HA CYS 19 HA CYS 19 8.108 5.964 -0.251 104 1HB CYS 19 2HB CYS 19 9.298 4.707 -2.157 105 2HB CYS 19 1HB CYS 19 10.129 6.101 -1.475 106 H LYS 20 H LYS 20 7.711 3.913 1.862 107 HA LYS 20 HA LYS 20 6.575 1.751 0.110 108 1HB LYS 20 2HB LYS 20 7.598 1.578 2.965 109 2HB LYS 20 1HB LYS 20 6.722 0.283 2.148 110 1HG LYS 20 2HG LYS 20 8.679 0.922 0.312 111 2HG LYS 20 1HG LYS 20 9.518 1.119 1.851 112 1HD LYS 20 2HD LYS 20 9.796 -1.178 1.248 113 2HD LYS 20 1HD LYS 20 8.565 -1.155 2.512 114 1HE LYS 20 2HE LYS 20 7.445 -0.817 -0.176 115 2HE LYS 20 1HE LYS 20 8.286 -2.353 0.031 116 1HZ LYS 20 1HZ LYS 20 5.755 -1.772 0.874 117 2HZ LYS 20 2HZ LYS 20 6.680 -1.693 2.296 118 3HZ LYS 20 3HZ LYS 20 6.687 -3.106 1.353 119 H LEU 21 H LEU 21 4.308 1.378 0.426 120 HA LEU 21 HA LEU 21 3.149 3.423 2.132 121 1HB LEU 21 2HB LEU 21 0.929 2.728 1.264 122 2HB LEU 21 1HB LEU 21 2.035 3.248 0.019 123 HG LEU 21 HG LEU 21 2.089 1.173 -0.948 124 1HD1 LEU 21 1HD1 LEU 21 3.135 0.123 1.082 125 2HD1 LEU 21 2HD1 LEU 21 2.003 -0.930 0.235 126 3HD1 LEU 21 3HD1 LEU 21 1.512 -0.119 1.723 127 1HD2 LEU 21 1HD2 LEU 21 -0.271 1.849 -0.757 128 2HD2 LEU 21 2HD2 LEU 21 -0.382 0.994 0.777 129 3HD2 LEU 21 3HD2 LEU 21 -0.108 0.094 -0.710 130 H ARG 22 H ARG 22 0.783 2.404 3.013 131 HA ARG 22 HA ARG 22 1.248 -0.018 4.446 132 1HB ARG 22 2HB ARG 22 2.867 1.611 5.516 133 2HB ARG 22 1HB ARG 22 1.449 2.409 6.198 134 1HG ARG 22 2HG ARG 22 1.257 -0.449 6.580 135 2HG ARG 22 1HG ARG 22 2.782 0.148 7.230 136 1HD ARG 22 2HD ARG 22 1.317 2.038 8.279 137 2HD ARG 22 1HD ARG 22 -0.023 0.929 7.992 138 HE ARG 22 HE ARG 22 1.731 0.705 10.171 139 1HH1 ARG 22 1HH1 ARG 22 -0.661 -1.083 9.622 140 2HH1 ARG 22 2HH1 ARG 22 0.093 -2.639 9.521 141 1HH2 ARG 22 1HH2 ARG 22 3.292 -1.359 9.131 142 2HH2 ARG 22 2HH2 ARG 22 2.330 -2.795 9.244 143 HA PRO 23 HA PRO 23 -2.605 2.002 6.386 144 1HB PRO 23 2HB PRO 23 -3.716 4.157 5.070 145 2HB PRO 23 1HB PRO 23 -2.640 4.267 6.472 146 1HG PRO 23 2HG PRO 23 -2.035 4.752 3.590 147 2HG PRO 23 1HG PRO 23 -1.296 5.472 5.031 148 1HD PRO 23 2HD PRO 23 -0.156 3.456 3.493 149 2HD PRO 23 1HD PRO 23 0.318 3.831 5.159 150 H GLY 24 H GLY 24 -4.977 2.853 5.034 151 1HA GLY 24 1HA GLY 24 -5.885 0.403 4.013 152 2HA GLY 24 2HA GLY 24 -6.684 1.944 3.713 153 H ALA 25 H ALA 25 -3.917 2.737 2.428 154 HA ALA 25 HA ALA 25 -4.753 2.175 -0.257 155 1HB ALA 25 1HB ALA 25 -3.295 4.122 0.470 156 2HB ALA 25 2HB ALA 25 -2.734 3.261 -0.962 157 3HB ALA 25 3HB ALA 25 -1.965 2.971 0.599 158 H GLN 26 H GLN 26 -4.568 0.276 -1.290 159 HA GLN 26 HA GLN 26 -3.057 -1.909 -0.130 160 1HB GLN 26 2HB GLN 26 -5.184 -1.712 -1.877 161 2HB GLN 26 1HB GLN 26 -3.865 -2.203 -2.935 162 1HG GLN 26 2HG GLN 26 -3.959 -4.303 -2.137 163 2HG GLN 26 1HG GLN 26 -3.718 -3.710 -0.493 164 1HE2 GLN 26 1HE2 GLN 26 -6.017 -5.135 -2.613 165 2HE2 GLN 26 2HE2 GLN 26 -7.382 -4.947 -1.622 166 H CYS 27 H CYS 27 -2.219 0.676 -2.161 167 HA CYS 27 HA CYS 27 0.449 -0.405 -2.492 168 1HB CYS 27 2HB CYS 27 0.453 -0.952 -4.701 169 2HB CYS 27 1HB CYS 27 -1.285 -1.110 -4.490 170 H GLY 28 H GLY 28 1.821 1.245 -3.745 171 1HA GLY 28 2HA GLY 28 0.999 3.947 -2.841 172 2HA GLY 28 1HA GLY 28 2.630 3.466 -3.301 173 H GLU 29 H GLU 29 1.546 2.004 -5.663 174 HA GLU 29 HA GLU 29 0.111 3.742 -7.390 175 1HB GLU 29 2HB GLU 29 2.090 4.538 -8.775 176 2HB GLU 29 1HB GLU 29 1.891 5.323 -7.210 177 1HG GLU 29 2HG GLU 29 4.010 4.733 -6.739 178 2HG GLU 29 1HG GLU 29 3.456 3.059 -6.681 179 H GLY 30 H GLY 30 -0.493 2.504 -9.124 180 1HA GLY 30 2HA GLY 30 1.213 0.770 -10.598 181 2HA GLY 30 1HA GLY 30 0.340 -0.199 -9.410 182 H LEU 31 H LEU 31 -0.162 -0.687 -12.109 183 HA LEU 31 HA LEU 31 -2.355 0.872 -13.116 184 1HB LEU 31 2HB LEU 31 -0.953 -1.597 -13.807 185 2HB LEU 31 1HB LEU 31 -2.574 -1.444 -14.446 186 HG LEU 31 HG LEU 31 -0.728 -0.520 -15.935 187 1HD1 LEU 31 1HD1 LEU 31 -2.083 1.903 -15.765 188 2HD1 LEU 31 2HD1 LEU 31 -3.228 0.743 -15.092 189 3HD1 LEU 31 3HD1 LEU 31 -2.585 0.506 -16.717 190 1HD2 LEU 31 1HD2 LEU 31 -0.687 1.788 -13.994 191 2HD2 LEU 31 2HD2 LEU 31 0.442 1.428 -15.302 192 3HD2 LEU 31 3HD2 LEU 31 0.452 0.452 -13.832 193 H CYS 32 H CYS 32 -2.160 -2.325 -11.559 194 HA CYS 32 HA CYS 32 -5.093 -2.484 -11.321 195 1HB CYS 32 2HB CYS 32 -3.626 -4.504 -11.739 196 2HB CYS 32 1HB CYS 32 -2.956 -4.280 -10.132 197 H CYS 33 H CYS 33 -4.101 -0.219 -10.033 198 HA CYS 33 HA CYS 33 -4.996 -0.750 -7.308 199 1HB CYS 33 2HB CYS 33 -2.788 -1.297 -6.817 200 2HB CYS 33 1HB CYS 33 -2.136 -0.158 -7.986 201 H GLU 34 H GLU 34 -6.636 0.726 -7.941 202 HA GLU 34 HA GLU 34 -6.217 3.308 -9.040 203 1HB GLU 34 2HB GLU 34 -8.477 3.783 -8.320 204 2HB GLU 34 1HB GLU 34 -8.415 2.105 -8.850 205 1HG GLU 34 2HG GLU 34 -8.530 1.273 -6.669 206 2HG GLU 34 1HG GLU 34 -7.932 2.772 -5.958 207 H GLN 35 H GLN 35 -7.620 4.909 -7.096 208 HA GLN 35 HA GLN 35 -5.439 6.099 -5.743 209 1HB GLN 35 2HB GLN 35 -7.451 7.370 -6.159 210 2HB GLN 35 1HB GLN 35 -8.413 6.252 -5.195 211 1HG GLN 35 2HG GLN 35 -7.946 7.427 -3.339 212 2HG GLN 35 1HG GLN 35 -6.221 7.158 -3.593 213 1HE2 GLN 35 1HE2 GLN 35 -4.977 8.953 -4.233 214 2HE2 GLN 35 2HE2 GLN 35 -5.630 10.453 -4.686 215 H CYS 36 H CYS 36 -4.290 4.541 -4.526 216 HA CYS 36 HA CYS 36 -3.791 3.235 -2.637 217 1HB CYS 36 2HB CYS 36 -6.034 4.906 -1.481 218 2HB CYS 36 1HB CYS 36 -4.937 3.940 -0.532 219 H LYS 37 H LYS 37 -5.499 1.985 -4.516 220 HA LYS 37 HA LYS 37 -6.728 -0.020 -2.787 221 1HB LYS 37 2HB LYS 37 -8.400 1.942 -4.325 222 2HB LYS 37 1HB LYS 37 -8.964 0.278 -4.159 223 1HG LYS 37 2HG LYS 37 -8.187 0.813 -1.599 224 2HG LYS 37 1HG LYS 37 -8.745 2.404 -2.116 225 1HD LYS 37 2HD LYS 37 -10.925 1.669 -2.483 226 2HD LYS 37 1HD LYS 37 -10.425 -0.005 -2.725 227 1HE LYS 37 2HE LYS 37 -10.694 -0.474 -0.539 228 2HE LYS 37 1HE LYS 37 -9.700 0.904 -0.070 229 1HZ LYS 37 1HZ LYS 37 -11.680 2.322 -0.507 230 2HZ LYS 37 2HZ LYS 37 -11.863 1.250 0.798 231 3HZ LYS 37 3HZ LYS 37 -12.598 0.908 -0.694 232 H PHE 38 H PHE 38 -6.959 -2.000 -3.902 233 HA PHE 38 HA PHE 38 -5.506 -2.236 -6.398 234 1HB PHE 38 2HB PHE 38 -6.970 -4.102 -4.589 235 2HB PHE 38 1HB PHE 38 -6.717 -4.616 -6.250 236 HD1 PHE 38 HD1 PHE 38 -5.290 -6.456 -5.206 237 HD2 PHE 38 HD2 PHE 38 -4.245 -2.294 -5.004 238 HE1 PHE 38 HE1 PHE 38 -2.949 -7.070 -4.679 239 HE2 PHE 38 HE2 PHE 38 -1.903 -2.911 -4.478 240 HZ PHE 38 HZ PHE 38 -1.254 -5.298 -4.316 241 H SER 39 H SER 39 -6.362 -1.784 -8.398 242 HA SER 39 HA SER 39 -9.124 -1.205 -8.828 243 1HB SER 39 2HB SER 39 -7.949 -2.238 -11.236 244 2HB SER 39 1HB SER 39 -8.352 -0.573 -10.843 245 HG SER 39 HG SER 39 -6.183 -0.592 -11.113 246 H ARG 40 H ARG 40 -10.101 -2.779 -10.872 247 HA ARG 40 HA ARG 40 -10.361 -5.374 -9.484 248 1HB ARG 40 2HB ARG 40 -12.230 -3.658 -10.727 249 2HB ARG 40 1HB ARG 40 -12.154 -5.125 -11.702 250 1HG ARG 40 2HG ARG 40 -12.603 -6.513 -9.773 251 2HG ARG 40 1HG ARG 40 -12.485 -5.123 -8.693 252 1HD ARG 40 2HD ARG 40 -14.654 -4.639 -9.026 253 2HD ARG 40 1HD ARG 40 -14.388 -4.540 -10.767 254 HE ARG 40 HE ARG 40 -14.551 -7.292 -9.915 255 1HH1 ARG 40 1HH2 ARG 40 -15.969 -5.022 -11.855 256 2HH1 ARG 40 2HH2 ARG 40 -17.592 -5.606 -11.697 257 1HH2 ARG 40 1HH1 ARG 40 -16.828 -7.813 -9.132 258 2HH2 ARG 40 2HH1 ARG 40 -18.079 -7.187 -10.154 259 H ALA 41 H ALA 41 -9.767 -7.259 -10.431 260 HA ALA 41 HA ALA 41 -7.819 -7.488 -12.342 261 1HB ALA 41 1HB ALA 41 -8.859 -9.311 -10.852 262 2HB ALA 41 2HB ALA 41 -8.297 -9.804 -12.448 263 3HB ALA 41 3HB ALA 41 -10.016 -9.538 -12.163 264 H GLY 42 H GLY 42 -8.191 -8.734 -14.597 265 1HA GLY 42 2HA GLY 42 -8.997 -8.564 -16.780 266 2HA GLY 42 1HA GLY 42 -10.580 -8.281 -16.059 267 H LYS 43 H LYS 43 -7.881 -6.189 -15.281 268 HA LYS 43 HA LYS 43 -9.314 -4.033 -16.744 269 1HB LYS 43 2HB LYS 43 -9.034 -2.850 -14.856 270 2HB LYS 43 1HB LYS 43 -8.123 -4.172 -14.144 271 1HG LYS 43 2HG LYS 43 -6.046 -3.308 -15.074 272 2HG LYS 43 1HG LYS 43 -6.923 -2.074 -15.977 273 1HD LYS 43 2HD LYS 43 -6.783 -2.310 -12.956 274 2HD LYS 43 1HD LYS 43 -5.974 -1.091 -13.943 275 1HE LYS 43 2HE LYS 43 -8.612 -0.920 -14.775 276 2HE LYS 43 1HE LYS 43 -8.759 -1.204 -13.041 277 1HZ LYS 43 1HZ LYS 43 -8.162 0.878 -12.674 278 2HZ LYS 43 2HZ LYS 43 -8.054 1.160 -14.345 279 3HZ LYS 43 3HZ LYS 43 -6.690 0.635 -13.480 280 H ILE 44 H ILE 44 -8.433 -3.390 -18.662 281 HA ILE 44 HA ILE 44 -5.806 -4.372 -19.404 282 HB ILE 44 HB ILE 44 -8.082 -3.150 -20.742 283 1HG1 ILE 44 2HG1 ILE 44 -7.331 -5.486 -21.015 284 2HG1 ILE 44 1HG1 ILE 44 -7.310 -4.624 -22.554 285 1HG2 ILE 44 1HG2 ILE 44 -6.709 -1.293 -21.300 286 2HG2 ILE 44 2HG2 ILE 44 -6.590 -2.373 -22.689 287 3HG2 ILE 44 3HG2 ILE 44 -5.285 -2.312 -21.505 288 1HD1 ILE 44 1HD1 ILE 44 -4.799 -4.355 -21.068 289 2HD1 ILE 44 2HD1 ILE 44 -5.063 -4.816 -22.750 290 3HD1 ILE 44 3HD1 ILE 44 -5.179 -6.029 -21.474 291 H CYS 45 H CYS 45 -3.993 -3.428 -18.700 292 HA CYS 45 HA CYS 45 -3.938 -0.635 -17.829 293 1HB CYS 45 2HB CYS 45 -2.222 -1.432 -16.589 294 2HB CYS 45 1HB CYS 45 -2.418 -2.981 -17.361 295 H ARG 46 H ARG 46 -3.120 -2.520 -20.638 296 HA ARG 46 HA ARG 46 -2.816 -0.128 -22.276 297 1HB ARG 46 2HB ARG 46 -0.457 -1.544 -21.229 298 2HB ARG 46 1HB ARG 46 -0.467 -1.408 -22.988 299 1HG ARG 46 2HG ARG 46 0.054 0.778 -22.875 300 2HG ARG 46 1HG ARG 46 -1.312 1.088 -21.802 301 1HD ARG 46 2HD ARG 46 0.196 0.034 -19.957 302 2HD ARG 46 1HD ARG 46 1.518 0.348 -21.082 303 HE ARG 46 HE ARG 46 0.105 2.349 -19.529 304 1HH1 ARG 46 1HH1 ARG 46 2.916 2.750 -20.201 305 2HH1 ARG 46 2HH1 ARG 46 2.867 3.914 -21.481 306 1HH2 ARG 46 1HH2 ARG 46 -0.490 3.401 -22.179 307 2HH2 ARG 46 2HH2 ARG 46 0.940 4.283 -22.601 308 H ILE 47 H ILE 47 -3.984 -0.722 -23.997 309 HA ILE 47 HA ILE 47 -4.533 -3.469 -24.659 310 HB ILE 47 HB ILE 47 -5.969 -1.399 -25.130 311 1HG1 ILE 47 2HG1 ILE 47 -5.680 -2.917 -27.674 312 2HG1 ILE 47 1HG1 ILE 47 -5.983 -3.861 -26.213 313 1HG2 ILE 47 1HG2 ILE 47 -5.539 -0.359 -27.363 314 2HG2 ILE 47 2HG2 ILE 47 -4.006 -1.228 -27.436 315 3HG2 ILE 47 3HG2 ILE 47 -4.270 -0.011 -26.188 316 1HD1 ILE 47 1HD1 ILE 47 -8.163 -3.370 -26.661 317 2HD1 ILE 47 2HD1 ILE 47 -7.749 -1.955 -27.628 318 3HD1 ILE 47 3HD1 ILE 47 -7.767 -1.845 -25.867 319 H ALA 48 H ALA 48 -4.174 -4.183 -27.061 320 HA ALA 48 HA ALA 48 -1.700 -3.255 -28.273 321 1HB ALA 48 1HB ALA 48 -1.830 -6.090 -27.254 322 2HB ALA 48 2HB ALA 48 -0.940 -4.798 -26.450 323 3HB ALA 48 3HB ALA 48 -0.476 -5.316 -28.070 324 H LYS 49 H LYS 49 -2.280 -3.216 -30.396 325 HA LYS 49 HA LYS 49 -3.761 -5.580 -31.445 326 1HB LYS 49 2HB LYS 49 -5.012 -4.164 -32.915 327 2HB LYS 49 1HB LYS 49 -5.239 -3.589 -31.267 328 1HG LYS 49 2HG LYS 49 -4.371 -1.578 -31.791 329 2HG LYS 49 1HG LYS 49 -2.916 -2.334 -32.442 330 1HD LYS 49 2HD LYS 49 -5.392 -2.486 -34.100 331 2HD LYS 49 1HD LYS 49 -4.583 -0.921 -33.993 332 1HE LYS 49 2HE LYS 49 -2.579 -2.922 -34.365 333 2HE LYS 49 1HE LYS 49 -3.838 -3.183 -35.572 334 1HZ LYS 49 1HZ LYS 49 -3.505 -0.475 -35.508 335 2HZ LYS 49 2HZ LYS 49 -2.896 -1.532 -36.691 336 3HZ LYS 49 3HZ LYS 49 -1.924 -1.073 -35.375 337 H GLY 50 H GLY 50 -1.026 -3.677 -31.627 338 1HA GLY 50 2HA GLY 50 -0.368 -4.701 -34.337 339 2HA GLY 50 1HA GLY 50 0.261 -3.163 -33.727 340 H ASP 51 H ASP 51 1.731 -3.237 -31.947 341 HA ASP 51 HA ASP 51 3.497 -5.501 -31.762 342 1HB ASP 51 2HB ASP 51 3.163 -2.890 -30.494 343 2HB ASP 51 1HB ASP 51 3.717 -4.120 -29.372 344 H TRP 52 H TRP 52 3.613 -6.490 -29.213 345 HA TRP 52 HA TRP 52 0.866 -6.516 -28.221 346 1HB TRP 52 2HB TRP 52 2.117 -8.871 -29.530 347 2HB TRP 52 1HB TRP 52 0.898 -9.089 -28.263 348 HD1 TRP 52 HD1 TRP 52 -1.235 -7.156 -28.622 349 HE1 TRP 52 HE1 TRP 52 -2.586 -6.818 -30.762 350 HE3 TRP 52 HE3 TRP 52 2.075 -8.981 -32.013 351 HZ2 TRP 52 HZ2 TRP 52 -2.298 -7.203 -33.528 352 HZ3 TRP 52 HZ3 TRP 52 1.528 -8.920 -34.431 353 HH2 TRP 52 HH2 TRP 52 -0.664 -8.037 -35.202 354 H ASN 53 H ASN 53 0.554 -6.965 -26.227 355 HA ASN 53 HA ASN 53 1.916 -8.400 -24.323 356 1HB ASN 53 2HB ASN 53 3.228 -6.355 -23.272 357 2HB ASN 53 1HB ASN 53 3.994 -7.324 -24.532 358 1HD2 ASN 53 1HD2 ASN 53 1.621 -4.588 -24.518 359 2HD2 ASN 53 2HD2 ASN 53 2.441 -3.687 -25.700 360 H ASP 54 H ASP 54 -0.676 -7.603 -24.844 361 HA ASP 54 HA ASP 54 -1.623 -5.279 -23.554 362 1HB ASP 54 2HB ASP 54 -3.106 -7.885 -23.488 363 2HB ASP 54 1HB ASP 54 -3.777 -6.264 -23.558 364 H ASP 55 H ASP 55 -2.152 -4.833 -21.409 365 HA ASP 55 HA ASP 55 -1.159 -6.833 -19.434 366 1HB ASP 55 2HB ASP 55 -1.701 -4.025 -18.673 367 2HB ASP 55 1HB ASP 55 -0.438 -5.105 -18.104 368 H ARG 56 H ARG 56 -2.460 -7.386 -17.646 369 HA ARG 56 HA ARG 56 -5.199 -6.221 -17.592 370 1HB ARG 56 2HB ARG 56 -5.108 -8.519 -18.751 371 2HB ARG 56 1HB ARG 56 -4.718 -9.174 -17.165 372 1HG ARG 56 2HG ARG 56 -6.910 -9.175 -16.672 373 2HG ARG 56 1HG ARG 56 -6.912 -7.416 -16.808 374 1HD ARG 56 2HD ARG 56 -8.406 -7.811 -18.489 375 2HD ARG 56 1HD ARG 56 -6.950 -8.104 -19.437 376 HE ARG 56 HE ARG 56 -7.978 -10.471 -18.044 377 1HH1 ARG 56 1HH2 ARG 56 -9.754 -8.908 -20.209 378 2HH1 ARG 56 2HH2 ARG 56 -9.525 -9.987 -21.545 379 1HH2 ARG 56 1HH1 ARG 56 -6.904 -11.702 -20.056 380 2HH2 ARG 56 2HH1 ARG 56 -7.912 -11.568 -21.459 381 H CYS 57 H CYS 57 -5.816 -5.725 -15.518 382 HA CYS 57 HA CYS 57 -3.944 -6.195 -13.338 383 1HB CYS 57 2HB CYS 57 -4.980 -4.194 -12.911 384 2HB CYS 57 1HB CYS 57 -6.407 -4.618 -13.813 385 H THR 58 H THR 58 -4.567 -7.413 -11.414 386 HA THR 58 HA THR 58 -6.488 -9.609 -12.054 387 HB THR 58 HB THR 58 -5.208 -11.001 -10.509 388 HG1 THR 58 HG1 THR 58 -3.542 -10.175 -9.346 389 1HG2 THR 58 1HG2 THR 58 -4.372 -10.305 -12.956 390 2HG2 THR 58 2HG2 THR 58 -3.439 -11.391 -11.926 391 3HG2 THR 58 3HG2 THR 58 -3.007 -9.685 -12.028 392 H GLY 59 H GLY 59 -7.110 -10.571 -9.615 393 1HA GLY 59 2HA GLY 59 -8.524 -8.276 -8.392 394 2HA GLY 59 1HA GLY 59 -8.860 -9.976 -8.076 395 H GLN 60 H GLN 60 -5.538 -9.186 -8.079 396 HA GLN 60 HA GLN 60 -5.376 -8.445 -5.250 397 1HB GLN 60 2HB GLN 60 -4.563 -11.199 -6.217 398 2HB GLN 60 1HB GLN 60 -3.960 -10.493 -4.716 399 1HG GLN 60 2HG GLN 60 -6.565 -10.052 -4.318 400 2HG GLN 60 1HG GLN 60 -6.709 -11.441 -5.393 401 1HE2 GLN 60 1HE2 GLN 60 -4.482 -12.983 -4.621 402 2HE2 GLN 60 2HE2 GLN 60 -4.654 -13.451 -2.999 403 H SER 61 H SER 61 -4.429 -7.646 -8.035 404 HA SER 61 HA SER 61 -1.500 -7.577 -7.413 405 1HB SER 61 2HB SER 61 -1.915 -8.841 -9.461 406 2HB SER 61 1HB SER 61 -2.902 -7.532 -10.104 407 HG SER 61 HG SER 61 -0.174 -7.277 -9.353 408 H ALA 62 H ALA 62 -0.442 -5.552 -8.432 409 HA ALA 62 HA ALA 62 -2.331 -3.239 -8.275 410 1HB ALA 62 1HB ALA 62 -0.035 -2.141 -7.371 411 2HB ALA 62 2HB ALA 62 0.147 -3.782 -6.753 412 3HB ALA 62 3HB ALA 62 -1.264 -2.823 -6.308 413 H ASP 63 H ASP 63 0.364 -4.740 -9.876 414 HA ASP 63 HA ASP 63 0.793 -2.283 -11.495 415 1HB ASP 63 2HB ASP 63 2.391 -4.809 -11.655 416 2HB ASP 63 1HB ASP 63 2.841 -3.202 -12.207 417 H CYS 64 H CYS 64 1.752 -3.547 -13.815 418 HA CYS 64 HA CYS 64 -0.556 -5.154 -14.740 419 1HB CYS 64 2HB CYS 64 -1.346 -3.577 -16.111 420 2HB CYS 64 1HB CYS 64 -0.382 -2.456 -15.188 421 HA PRO 65 HA PRO 65 2.833 -7.349 -16.546 422 1HB PRO 65 2HB PRO 65 1.291 -9.509 -17.200 423 2HB PRO 65 1HB PRO 65 1.907 -9.225 -15.572 424 1HG PRO 65 2HG PRO 65 -0.856 -8.984 -16.613 425 2HG PRO 65 1HG PRO 65 -0.305 -9.184 -14.942 426 1HD PRO 65 2HD PRO 65 -1.162 -6.762 -16.201 427 2HD PRO 65 1HD PRO 65 -0.487 -6.941 -14.570 428 H ARG 66 H ARG 66 2.283 -9.126 -18.718 429 HA ARG 66 HA ARG 66 0.831 -7.680 -20.787 430 1HB ARG 66 2HB ARG 66 3.143 -7.890 -22.183 431 2HB ARG 66 1HB ARG 66 2.647 -6.417 -21.355 432 1HG ARG 66 2HG ARG 66 3.879 -7.291 -19.309 433 2HG ARG 66 1HG ARG 66 4.544 -8.550 -20.353 434 1HD ARG 66 2HD ARG 66 4.877 -6.097 -21.734 435 2HD ARG 66 1HD ARG 66 5.401 -5.815 -20.073 436 HE ARG 66 HE ARG 66 6.649 -8.175 -20.662 437 1HH1 ARG 66 1HH2 ARG 66 7.450 -5.042 -20.993 438 2HH1 ARG 66 2HH2 ARG 66 8.476 -5.213 -22.378 439 1HH2 ARG 66 1HH1 ARG 66 7.495 -8.473 -23.032 440 2HH2 ARG 66 2HH1 ARG 66 8.501 -7.155 -23.532 441 H TYR 67 H TYR 67 0.151 -9.098 -22.366 442 HA TYR 67 HA TYR 67 1.533 -11.398 -23.248 443 1HB TYR 67 2HB TYR 67 0.010 -11.723 -20.766 444 2HB TYR 67 1HB TYR 67 -0.370 -12.918 -22.003 445 HD1 TYR 67 HD1 TYR 67 2.090 -13.375 -23.410 446 HD2 TYR 67 HD2 TYR 67 1.494 -12.651 -19.218 447 HE1 TYR 67 HE1 TYR 67 4.206 -14.566 -22.903 448 HE2 TYR 67 HE2 TYR 67 3.611 -13.843 -18.712 449 HH TYR 67 HH TYR 67 5.944 -14.319 -20.595 450 H HIS 68 HN HIS 68 0.628 -10.601 -25.235 451 HA HIS 68 HA HIS 68 -2.277 -10.380 -25.523 452 1HB HIS 68 2HB HIS 68 -0.674 -9.002 -26.884 453 2HB HIS 68 1HB HIS 68 -0.166 -10.483 -27.699 454 HD1 HIS 68 HD1 HIS 68 -1.260 -10.538 -29.935 455 HD2 HIS 68 HD2 HIS 68 -3.861 -9.135 -26.994 456 HE1 HIS 68 HE1 HIS 68 -3.494 -10.171 -31.069 Start of MODEL 5 1 1H GLY 1 1HT GLY 1 12.420 -4.184 -4.555 2 2H GLY 1 2HT GLY 1 13.593 -4.138 -3.328 3 3H GLY 1 3HT GLY 1 13.691 -3.063 -4.641 4 1HA GLY 1 1HA GLY 1 11.811 -1.851 -3.939 5 2HA GLY 1 2HA GLY 1 11.414 -3.085 -2.743 6 H LYS 2 H LYS 2 11.545 -1.494 -1.036 7 HA LYS 2 HA LYS 2 14.041 -1.362 0.299 8 1HB LYS 2 2HB LYS 2 14.624 1.020 -0.003 9 2HB LYS 2 1HB LYS 2 14.697 0.152 -1.537 10 1HG LYS 2 2HG LYS 2 12.955 1.316 -2.421 11 2HG LYS 2 1HG LYS 2 12.050 1.295 -0.907 12 1HD LYS 2 2HD LYS 2 12.614 3.464 -0.660 13 2HD LYS 2 1HD LYS 2 14.266 2.916 -0.371 14 1HE LYS 2 2HE LYS 2 14.972 3.679 -2.378 15 2HE LYS 2 1HE LYS 2 13.593 2.964 -3.216 16 1HZ LYS 2 1HZ LYS 2 12.386 4.943 -1.945 17 2HZ LYS 2 2HZ LYS 2 13.062 5.123 -3.494 18 3HZ LYS 2 3HZ LYS 2 13.921 5.643 -2.124 19 H GLU 3 H GLU 3 13.834 0.932 1.788 20 HA GLU 3 HA GLU 3 11.311 0.444 3.246 21 1HB GLU 3 2HB GLU 3 13.955 1.208 3.960 22 2HB GLU 3 1HB GLU 3 12.877 2.524 4.421 23 1HG GLU 3 2HG GLU 3 12.758 1.143 6.300 24 2HG GLU 3 1HG GLU 3 11.370 0.591 5.362 25 H CYS 4 H CYS 4 10.262 1.470 1.201 26 HA CYS 4 HA CYS 4 9.128 3.944 1.897 27 1HB CYS 4 2HB CYS 4 11.520 4.676 1.268 28 2HB CYS 4 1HB CYS 4 10.993 4.372 -0.371 29 H ASP 5 H ASP 5 7.703 2.051 1.277 30 HA ASP 5 HA ASP 5 7.153 0.957 -1.135 31 1HB ASP 5 2HB ASP 5 5.714 0.981 1.014 32 2HB ASP 5 1HB ASP 5 4.926 2.392 0.305 33 H CYS 6 H CYS 6 6.825 4.398 -0.406 34 HA CYS 6 HA CYS 6 6.020 4.791 -3.269 35 1HB CYS 6 2HB CYS 6 4.785 6.737 -2.629 36 2HB CYS 6 1HB CYS 6 4.346 5.480 -1.481 37 H SER 7 H SER 7 6.748 7.039 -4.085 38 HA SER 7 HA SER 7 9.522 7.540 -3.090 39 1HB SER 7 2HB SER 7 9.911 8.430 -5.434 40 2HB SER 7 1HB SER 7 9.612 6.696 -5.341 41 HG SER 7 HG SER 7 8.369 8.218 -6.891 42 H SER 8 H SER 8 6.410 8.837 -3.347 43 HA SER 8 HA SER 8 7.484 11.615 -3.101 44 1HB SER 8 2HB SER 8 4.694 11.677 -3.610 45 2HB SER 8 1HB SER 8 5.994 12.186 -4.683 46 HG SER 8 HG SER 8 4.825 10.570 -5.695 47 HA PRO 9 HA PRO 9 5.855 11.327 1.020 48 1HB PRO 9 2HB PRO 9 6.376 13.933 1.720 49 2HB PRO 9 1HB PRO 9 7.617 12.669 1.661 50 1HG PRO 9 2HG PRO 9 7.135 14.912 -0.242 51 2HG PRO 9 1HG PRO 9 8.636 14.039 0.108 52 1HD PRO 9 2HD PRO 9 6.968 13.645 -2.150 53 2HD PRO 9 1HD PRO 9 8.289 12.580 -1.625 54 H GLU 10 H GLU 10 4.419 12.816 -1.556 55 HA GLU 10 HA GLU 10 2.287 14.077 0.115 56 1HB GLU 10 2HB GLU 10 3.470 14.698 -2.520 57 2HB GLU 10 1HB GLU 10 1.710 14.811 -2.456 58 1HG GLU 10 2HG GLU 10 3.102 16.000 -0.140 59 2HG GLU 10 1HG GLU 10 3.399 16.816 -1.675 60 H ASN 11 H ASN 11 3.010 11.331 -1.722 61 HA ASN 11 HA ASN 11 0.475 10.817 -2.937 62 1HB ASN 11 2HB ASN 11 2.917 9.604 -3.009 63 2HB ASN 11 1HB ASN 11 2.015 8.477 -1.996 64 1HD2 ASN 11 1HD2 ASN 11 2.180 6.959 -3.909 65 2HD2 ASN 11 2HD2 ASN 11 1.078 7.134 -5.188 66 HA PRO 12 HA PRO 12 -1.723 9.818 0.804 67 1HB PRO 12 2HB PRO 12 -4.068 9.100 -0.438 68 2HB PRO 12 1HB PRO 12 -3.575 10.783 -0.181 69 1HG PRO 12 2HG PRO 12 -3.564 9.188 -2.701 70 2HG PRO 12 1HG PRO 12 -3.696 10.941 -2.484 71 1HD PRO 12 2HD PRO 12 -1.361 9.535 -3.254 72 2HD PRO 12 1HD PRO 12 -1.433 11.228 -2.719 73 H CYS 13 H CYS 13 -0.481 7.731 -1.429 74 HA CYS 13 HA CYS 13 -1.837 5.314 -0.325 75 1HB CYS 13 2HB CYS 13 0.034 5.616 -2.693 76 2HB CYS 13 1HB CYS 13 -0.791 4.134 -2.220 77 H CYS 14 H CYS 14 0.488 7.111 0.822 78 HA CYS 14 HA CYS 14 1.921 4.858 1.969 79 1HB CYS 14 2HB CYS 14 3.412 4.685 0.268 80 2HB CYS 14 1HB CYS 14 2.975 6.251 -0.396 81 H ASP 15 H ASP 15 2.982 5.447 3.851 82 HA ASP 15 HA ASP 15 2.387 8.093 4.922 83 1HB ASP 15 2HB ASP 15 2.453 5.769 6.125 84 2HB ASP 15 1HB ASP 15 4.171 6.103 6.230 85 H ALA 16 H ALA 16 3.911 9.741 5.287 86 HA ALA 16 HA ALA 16 6.413 9.486 3.780 87 1HB ALA 16 1HB ALA 16 5.585 11.932 5.321 88 2HB ALA 16 2HB ALA 16 4.803 11.530 3.792 89 3HB ALA 16 3HB ALA 16 6.541 11.828 3.842 90 H ALA 17 H ALA 17 5.348 9.827 7.126 91 HA ALA 17 HA ALA 17 7.982 10.324 8.208 92 1HB ALA 17 1HB ALA 17 5.964 10.901 9.472 93 2HB ALA 17 2HB ALA 17 6.931 9.740 10.382 94 3HB ALA 17 3HB ALA 17 5.489 9.203 9.520 95 H THR 18 H THR 18 6.591 7.538 6.861 96 HA THR 18 HA THR 18 8.692 5.872 8.186 97 HB THR 18 HB THR 18 7.064 3.958 8.084 98 HG1 THR 18 HG1 THR 18 5.734 5.122 6.509 99 1HG2 THR 18 1HG2 THR 18 5.459 5.405 9.829 100 2HG2 THR 18 2HG2 THR 18 6.988 6.283 9.850 101 3HG2 THR 18 3HG2 THR 18 6.949 4.567 10.256 102 H CYS 19 H CYS 19 7.530 7.083 5.305 103 HA CYS 19 HA CYS 19 7.766 6.391 3.060 104 1HB CYS 19 2HB CYS 19 10.231 5.892 4.480 105 2HB CYS 19 1HB CYS 19 10.034 4.774 3.160 106 H LYS 20 H LYS 20 5.852 5.023 3.279 107 HA LYS 20 HA LYS 20 6.284 2.359 2.348 108 1HB LYS 20 2HB LYS 20 5.833 2.717 5.282 109 2HB LYS 20 1HB LYS 20 4.999 1.389 4.471 110 1HG LYS 20 2HG LYS 20 7.567 1.228 3.440 111 2HG LYS 20 1HG LYS 20 7.843 1.669 5.125 112 1HD LYS 20 2HD LYS 20 7.640 -0.584 5.463 113 2HD LYS 20 1HD LYS 20 5.914 -0.217 5.436 114 1HE LYS 20 2HE LYS 20 5.620 -1.372 3.525 115 2HE LYS 20 1HE LYS 20 6.953 -0.522 2.742 116 1HZ LYS 20 1HZ LYS 20 7.935 -2.322 4.693 117 2HZ LYS 20 2HZ LYS 20 8.255 -2.271 3.024 118 3HZ LYS 20 3HZ LYS 20 6.920 -3.144 3.610 119 H LEU 21 H LEU 21 3.871 1.165 2.909 120 HA LEU 21 HA LEU 21 2.045 2.949 1.484 121 1HB LEU 21 2HB LEU 21 2.018 0.118 2.368 122 2HB LEU 21 1HB LEU 21 0.450 0.912 2.245 123 HG LEU 21 HG LEU 21 2.476 1.016 0.004 124 1HD1 LEU 21 1HD1 LEU 21 1.797 -0.998 -0.820 125 2HD1 LEU 21 2HD1 LEU 21 0.142 -0.776 -0.255 126 3HD1 LEU 21 3HD1 LEU 21 1.389 -1.329 0.863 127 1HD2 LEU 21 1HD2 LEU 21 0.036 2.316 0.503 128 2HD2 LEU 21 2HD2 LEU 21 -0.319 1.081 -0.706 129 3HD2 LEU 21 3HD2 LEU 21 0.933 2.286 -1.014 130 H ARG 22 H ARG 22 -0.008 3.609 2.269 131 HA ARG 22 HA ARG 22 -0.004 4.179 5.153 132 1HB ARG 22 2HB ARG 22 -1.491 5.124 2.767 133 2HB ARG 22 1HB ARG 22 -2.444 5.028 4.248 134 1HG ARG 22 2HG ARG 22 -0.461 6.262 5.366 135 2HG ARG 22 1HG ARG 22 0.039 6.654 3.719 136 1HD ARG 22 2HD ARG 22 -1.375 8.446 4.652 137 2HD ARG 22 1HD ARG 22 -2.173 7.663 3.288 138 HE ARG 22 HE ARG 22 -2.909 6.441 5.814 139 1HH1 ARG 22 1HH1 ARG 22 -4.384 7.444 3.156 140 2HH1 ARG 22 2HH1 ARG 22 -5.594 8.438 3.898 141 1HH2 ARG 22 1HH2 ARG 22 -4.065 8.432 7.012 142 2HH2 ARG 22 2HH2 ARG 22 -5.413 8.998 6.082 143 HA PRO 23 HA PRO 23 -2.207 0.420 5.998 144 1HB PRO 23 2HB PRO 23 -3.166 1.183 8.480 145 2HB PRO 23 1HB PRO 23 -1.519 0.593 8.184 146 1HG PRO 23 2HG PRO 23 -2.474 3.427 8.533 147 2HG PRO 23 1HG PRO 23 -0.956 2.681 9.073 148 1HD PRO 23 2HD PRO 23 -1.095 4.267 6.820 149 2HD PRO 23 1HD PRO 23 0.073 2.950 7.002 150 H GLY 24 H GLY 24 -3.699 1.024 4.240 151 1HA GLY 24 2HA GLY 24 -6.422 0.966 4.966 152 2HA GLY 24 1HA GLY 24 -6.021 2.640 4.566 153 H ALA 25 H ALA 25 -3.975 1.961 2.656 154 HA ALA 25 HA ALA 25 -5.677 1.276 0.356 155 1HB ALA 25 1HB ALA 25 -4.131 2.419 -0.954 156 2HB ALA 25 2HB ALA 25 -2.792 2.046 0.127 157 3HB ALA 25 3HB ALA 25 -3.971 3.278 0.577 158 H GLN 26 H GLN 26 -3.694 0.269 -1.378 159 HA GLN 26 HA GLN 26 -2.720 -2.155 0.036 160 1HB GLN 26 2HB GLN 26 -3.513 -3.560 -1.869 161 2HB GLN 26 1HB GLN 26 -4.818 -2.799 -0.971 162 1HG GLN 26 2HG GLN 26 -5.381 -2.459 -3.234 163 2HG GLN 26 1HG GLN 26 -4.736 -0.916 -2.685 164 1HE2 GLN 26 1HE2 GLN 26 -2.352 -3.427 -3.174 165 2HE2 GLN 26 2HE2 GLN 26 -1.763 -2.846 -4.651 166 H CYS 27 H CYS 27 -2.018 0.359 -2.109 167 HA CYS 27 HA CYS 27 0.597 -0.804 -2.623 168 1HB CYS 27 2HB CYS 27 0.147 -1.611 -4.677 169 2HB CYS 27 1HB CYS 27 -1.477 -0.960 -4.619 170 H GLY 28 H GLY 28 1.979 0.869 -3.859 171 1HA GLY 28 2HA GLY 28 1.199 3.572 -2.869 172 2HA GLY 28 1HA GLY 28 2.860 3.044 -3.139 173 H GLU 29 H GLU 29 2.184 1.752 -5.710 174 HA GLU 29 HA GLU 29 1.001 3.668 -7.484 175 1HB GLU 29 2HB GLU 29 3.111 4.465 -8.554 176 2HB GLU 29 1HB GLU 29 2.918 5.040 -6.899 177 1HG GLU 29 2HG GLU 29 4.766 3.946 -6.206 178 2HG GLU 29 1HG GLU 29 4.268 2.455 -7.006 179 H GLY 30 H GLY 30 0.424 2.479 -9.217 180 1HA GLY 30 2HA GLY 30 2.206 0.718 -10.623 181 2HA GLY 30 1HA GLY 30 1.064 -0.214 -9.647 182 H LEU 31 H LEU 31 0.996 -0.352 -12.478 183 HA LEU 31 HA LEU 31 -0.827 1.474 -13.684 184 1HB LEU 31 2HB LEU 31 0.200 -1.203 -14.290 185 2HB LEU 31 1HB LEU 31 -1.344 -0.820 -15.024 186 HG LEU 31 HG LEU 31 0.906 1.165 -15.149 187 1HD1 LEU 31 1HD1 LEU 31 1.701 0.165 -17.223 188 2HD1 LEU 31 2HD1 LEU 31 0.481 -1.104 -17.116 189 3HD1 LEU 31 3HD1 LEU 31 1.791 -1.039 -15.937 190 1HD2 LEU 31 1HD2 LEU 31 -0.783 2.229 -16.220 191 2HD2 LEU 31 2HD2 LEU 31 -1.743 0.752 -16.329 192 3HD2 LEU 31 3HD2 LEU 31 -0.507 1.092 -17.541 193 H CYS 32 H CYS 32 -1.272 -1.480 -11.854 194 HA CYS 32 HA CYS 32 -4.222 -1.233 -12.024 195 1HB CYS 32 2HB CYS 32 -2.703 -3.425 -12.183 196 2HB CYS 32 1HB CYS 32 -2.862 -3.359 -10.429 197 H CYS 33 H CYS 33 -2.804 0.794 -10.539 198 HA CYS 33 HA CYS 33 -3.613 0.068 -7.753 199 1HB CYS 33 2HB CYS 33 -1.383 1.812 -8.791 200 2HB CYS 33 1HB CYS 33 -1.997 1.996 -7.147 201 H GLU 34 H GLU 34 -5.773 0.818 -8.017 202 HA GLU 34 HA GLU 34 -6.505 3.340 -9.119 203 1HB GLU 34 2HB GLU 34 -7.890 1.229 -8.098 204 2HB GLU 34 1HB GLU 34 -8.071 2.411 -6.807 205 1HG GLU 34 2HG GLU 34 -8.437 3.826 -9.224 206 2HG GLU 34 1HG GLU 34 -9.383 2.344 -9.365 207 H GLN 35 H GLN 35 -7.789 4.829 -7.188 208 HA GLN 35 HA GLN 35 -5.676 6.310 -6.014 209 1HB GLN 35 2HB GLN 35 -8.338 6.745 -6.348 210 2HB GLN 35 1HB GLN 35 -8.293 6.393 -4.620 211 1HG GLN 35 2HG GLN 35 -7.973 8.762 -4.849 212 2HG GLN 35 1HG GLN 35 -6.404 8.075 -4.433 213 1HE2 GLN 35 1HE2 GLN 35 -7.034 10.583 -6.014 214 2HE2 GLN 35 2HE2 GLN 35 -6.239 10.376 -7.499 215 H CYS 36 H CYS 36 -4.318 4.805 -4.887 216 HA CYS 36 HA CYS 36 -3.590 3.594 -3.014 217 1HB CYS 36 2HB CYS 36 -5.862 5.169 -1.768 218 2HB CYS 36 1HB CYS 36 -4.679 4.247 -0.849 219 H LYS 37 H LYS 37 -5.145 2.051 -4.689 220 HA LYS 37 HA LYS 37 -6.272 0.123 -2.812 221 1HB LYS 37 2HB LYS 37 -8.008 1.983 -4.266 222 2HB LYS 37 1HB LYS 37 -8.400 0.295 -4.594 223 1HG LYS 37 2HG LYS 37 -7.877 0.545 -1.796 224 2HG LYS 37 1HG LYS 37 -9.006 1.822 -2.256 225 1HD LYS 37 2HD LYS 37 -10.169 -0.149 -3.599 226 2HD LYS 37 1HD LYS 37 -9.342 -1.150 -2.403 227 1HE LYS 37 2HE LYS 37 -11.460 -0.666 -1.437 228 2HE LYS 37 1HE LYS 37 -10.333 0.426 -0.634 229 1HZ LYS 37 1HZ LYS 37 -12.158 1.733 -1.262 230 2HZ LYS 37 2HZ LYS 37 -12.235 1.048 -2.816 231 3HZ LYS 37 3HZ LYS 37 -10.955 2.085 -2.404 232 H PHE 38 H PHE 38 -7.110 -1.838 -4.083 233 HA PHE 38 HA PHE 38 -5.213 -2.372 -6.291 234 1HB PHE 38 2HB PHE 38 -6.735 -3.976 -4.347 235 2HB PHE 38 1HB PHE 38 -6.714 -4.660 -5.965 236 HD1 PHE 38 HD1 PHE 38 -5.251 -5.376 -3.152 237 HD2 PHE 38 HD2 PHE 38 -4.049 -3.705 -6.921 238 HE1 PHE 38 HE1 PHE 38 -2.946 -6.216 -2.788 239 HE2 PHE 38 HE2 PHE 38 -1.745 -4.542 -6.552 240 HZ PHE 38 HZ PHE 38 -1.191 -5.796 -4.488 241 H SER 39 H SER 39 -5.883 -2.115 -8.393 242 HA SER 39 HA SER 39 -8.597 -1.541 -9.101 243 1HB SER 39 2HB SER 39 -6.098 -1.746 -10.467 244 2HB SER 39 1HB SER 39 -7.273 -2.730 -11.329 245 HG SER 39 HG SER 39 -7.022 -0.155 -11.460 246 H ARG 40 H ARG 40 -10.081 -3.000 -10.303 247 HA ARG 40 HA ARG 40 -10.063 -5.651 -9.122 248 1HB ARG 40 2HB ARG 40 -11.956 -4.537 -11.168 249 2HB ARG 40 1HB ARG 40 -12.240 -5.919 -10.119 250 1HG ARG 40 2HG ARG 40 -12.506 -4.596 -8.222 251 2HG ARG 40 1HG ARG 40 -11.560 -3.267 -8.893 252 1HD ARG 40 2HD ARG 40 -13.406 -2.892 -10.564 253 2HD ARG 40 1HD ARG 40 -14.362 -4.093 -9.696 254 HE ARG 40 HE ARG 40 -13.464 -2.160 -7.813 255 1HH1 ARG 40 1HH2 ARG 40 -14.112 -0.176 -9.857 256 2HH1 ARG 40 2HH2 ARG 40 -15.819 0.054 -9.669 257 1HH2 ARG 40 1HH1 ARG 40 -16.283 -2.868 -7.862 258 2HH2 ARG 40 2HH1 ARG 40 -17.049 -1.471 -8.541 259 H ALA 41 H ALA 41 -9.876 -7.619 -10.229 260 HA ALA 41 HA ALA 41 -8.018 -7.833 -12.304 261 1HB ALA 41 1HB ALA 41 -8.357 -10.083 -12.115 262 2HB ALA 41 2HB ALA 41 -10.105 -9.930 -12.293 263 3HB ALA 41 3HB ALA 41 -9.347 -9.629 -10.728 264 H GLY 42 H GLY 42 -8.953 -9.253 -14.427 265 1HA GLY 42 2HA GLY 42 -9.810 -8.775 -16.570 266 2HA GLY 42 1HA GLY 42 -11.322 -8.494 -15.696 267 H LYS 43 H LYS 43 -8.519 -6.610 -14.894 268 HA LYS 43 HA LYS 43 -9.896 -4.217 -15.967 269 1HB LYS 43 2HB LYS 43 -9.380 -3.876 -13.700 270 2HB LYS 43 1HB LYS 43 -7.807 -4.650 -13.849 271 1HG LYS 43 2HG LYS 43 -7.494 -2.244 -13.663 272 2HG LYS 43 1HG LYS 43 -7.058 -2.752 -15.294 273 1HD LYS 43 2HD LYS 43 -9.274 -2.068 -16.114 274 2HD LYS 43 1HD LYS 43 -9.737 -1.584 -14.482 275 1HE LYS 43 2HE LYS 43 -7.246 -0.334 -15.065 276 2HE LYS 43 1HE LYS 43 -8.308 -0.063 -16.446 277 1HZ LYS 43 1HZ LYS 43 -9.541 0.260 -13.844 278 2HZ LYS 43 2HZ LYS 43 -9.693 1.208 -15.246 279 3HZ LYS 43 3HZ LYS 43 -8.353 1.409 -14.222 280 H ILE 44 H ILE 44 -9.062 -3.071 -17.675 281 HA ILE 44 HA ILE 44 -6.760 -4.195 -19.074 282 HB ILE 44 HB ILE 44 -8.701 -3.293 -20.307 283 1HG1 ILE 44 2HG1 ILE 44 -7.439 -2.060 -21.966 284 2HG1 ILE 44 1HG1 ILE 44 -6.223 -1.606 -20.770 285 1HG2 ILE 44 1HG2 ILE 44 -7.870 -0.497 -19.746 286 2HG2 ILE 44 2HG2 ILE 44 -8.743 -1.328 -18.459 287 3HG2 ILE 44 3HG2 ILE 44 -9.477 -1.153 -20.053 288 1HD1 ILE 44 1HD1 ILE 44 -5.305 -3.740 -20.690 289 2HD1 ILE 44 2HD1 ILE 44 -5.798 -3.656 -22.382 290 3HD1 ILE 44 3HD1 ILE 44 -6.801 -4.514 -21.213 291 H CYS 45 H CYS 45 -4.922 -3.843 -17.871 292 HA CYS 45 HA CYS 45 -4.279 -1.237 -16.700 293 1HB CYS 45 2HB CYS 45 -2.038 -2.352 -16.307 294 2HB CYS 45 1HB CYS 45 -3.415 -3.149 -15.551 295 H ARG 46 H ARG 46 -4.269 -2.317 -19.850 296 HA ARG 46 HA ARG 46 -2.631 -0.099 -20.720 297 1HB ARG 46 2HB ARG 46 -1.298 -2.589 -20.170 298 2HB ARG 46 1HB ARG 46 -1.221 -2.253 -21.900 299 1HG ARG 46 2HG ARG 46 -0.002 -0.308 -21.612 300 2HG ARG 46 1HG ARG 46 -0.677 0.002 -20.012 301 1HD ARG 46 2HD ARG 46 0.885 -1.291 -18.956 302 2HD ARG 46 1HD ARG 46 0.947 -2.468 -20.267 303 HE ARG 46 HE ARG 46 2.144 -0.238 -21.365 304 1HH1 ARG 46 1HH1 ARG 46 2.695 -2.544 -18.900 305 2HH1 ARG 46 2HH1 ARG 46 4.314 -2.022 -18.572 306 1HH2 ARG 46 1HH2 ARG 46 4.180 0.657 -20.769 307 2HH2 ARG 46 2HH2 ARG 46 5.154 -0.211 -19.631 308 H ILE 47 H ILE 47 -1.867 -0.999 -23.225 309 HA ILE 47 HA ILE 47 -4.178 -2.295 -24.508 310 HB ILE 47 HB ILE 47 -4.832 0.108 -24.327 311 1HG1 ILE 47 2HG1 ILE 47 -5.308 0.422 -26.743 312 2HG1 ILE 47 1HG1 ILE 47 -4.149 -0.850 -27.128 313 1HG2 ILE 47 1HG2 ILE 47 -2.932 1.028 -26.346 314 2HG2 ILE 47 2HG2 ILE 47 -2.132 0.545 -24.851 315 3HG2 ILE 47 3HG2 ILE 47 -3.392 1.779 -24.819 316 1HD1 ILE 47 1HD1 ILE 47 -5.521 -2.531 -26.334 317 2HD1 ILE 47 2HD1 ILE 47 -6.750 -1.382 -26.862 318 3HD1 ILE 47 3HD1 ILE 47 -6.307 -1.479 -25.158 319 H ALA 48 H ALA 48 -3.508 -3.330 -26.380 320 HA ALA 48 HA ALA 48 -0.651 -3.289 -26.947 321 1HB ALA 48 1HB ALA 48 -1.684 -4.962 -28.804 322 2HB ALA 48 2HB ALA 48 -2.941 -5.026 -27.568 323 3HB ALA 48 3HB ALA 48 -1.279 -5.453 -27.160 324 H LYS 49 H LYS 49 0.303 -2.719 -28.950 325 HA LYS 49 HA LYS 49 -1.492 -1.275 -30.845 326 1HB LYS 49 2HB LYS 49 0.082 0.486 -31.084 327 2HB LYS 49 1HB LYS 49 -0.241 0.306 -29.365 328 1HG LYS 49 2HG LYS 49 1.853 -0.592 -28.922 329 2HG LYS 49 1HG LYS 49 2.046 -1.224 -30.555 330 1HD LYS 49 2HD LYS 49 1.821 1.584 -30.815 331 2HD LYS 49 1HD LYS 49 2.945 1.296 -29.486 332 1HE LYS 49 2HE LYS 49 3.128 0.063 -32.252 333 2HE LYS 49 1HE LYS 49 4.145 1.366 -31.636 334 1HZ LYS 49 1HZ LYS 49 5.152 -0.039 -30.105 335 2HZ LYS 49 2HZ LYS 49 5.034 -1.001 -31.500 336 3HZ LYS 49 3HZ LYS 49 3.937 -1.217 -30.221 337 H GLY 50 H GLY 50 0.726 -3.701 -30.446 338 1HA GLY 50 2HA GLY 50 1.422 -3.685 -33.335 339 2HA GLY 50 1HA GLY 50 2.540 -4.304 -32.111 340 H ASP 51 H ASP 51 2.000 -6.261 -31.059 341 HA ASP 51 HA ASP 51 0.325 -8.151 -32.442 342 1HB ASP 51 2HB ASP 51 1.980 -8.066 -30.041 343 2HB ASP 51 1HB ASP 51 0.519 -9.009 -29.811 344 H TRP 52 H TRP 52 -1.650 -9.123 -30.818 345 HA TRP 52 HA TRP 52 -2.671 -6.804 -29.360 346 1HB TRP 52 2HB TRP 52 -3.937 -7.827 -31.847 347 2HB TRP 52 1HB TRP 52 -4.904 -7.008 -30.604 348 HD1 TRP 52 HD1 TRP 52 -3.458 -4.730 -29.559 349 HE1 TRP 52 HE1 TRP 52 -2.424 -2.847 -30.932 350 HE3 TRP 52 HE3 TRP 52 -2.905 -7.114 -34.032 351 HZ2 TRP 52 HZ2 TRP 52 -1.437 -2.400 -33.519 352 HZ3 TRP 52 HZ3 TRP 52 -1.840 -5.925 -35.928 353 HH2 TRP 52 HH2 TRP 52 -1.112 -3.564 -35.687 354 H ASN 53 H ASN 53 -2.904 -7.517 -27.528 355 HA ASN 53 HA ASN 53 -4.999 -9.393 -26.808 356 1HB ASN 53 2HB ASN 53 -2.199 -10.259 -26.906 357 2HB ASN 53 1HB ASN 53 -2.863 -10.371 -25.275 358 1HD2 ASN 53 1HD2 ASN 53 -3.778 -12.389 -24.904 359 2HD2 ASN 53 2HD2 ASN 53 -4.580 -13.329 -26.066 360 H ASP 54 H ASP 54 -5.817 -7.581 -25.683 361 HA ASP 54 HA ASP 54 -4.304 -5.693 -24.244 362 1HB ASP 54 2HB ASP 54 -6.471 -5.354 -22.922 363 2HB ASP 54 1HB ASP 54 -6.602 -5.205 -24.673 364 H ASP 55 H ASP 55 -3.600 -5.551 -22.124 365 HA ASP 55 HA ASP 55 -3.313 -8.115 -20.706 366 1HB ASP 55 2HB ASP 55 -1.821 -5.652 -20.891 367 2HB ASP 55 1HB ASP 55 -2.097 -6.085 -19.206 368 H ARG 56 H ARG 56 -5.018 -8.636 -19.413 369 HA ARG 56 HA ARG 56 -6.610 -6.549 -18.099 370 1HB ARG 56 2HB ARG 56 -6.818 -9.498 -17.622 371 2HB ARG 56 1HB ARG 56 -8.081 -8.284 -17.481 372 1HG ARG 56 2HG ARG 56 -7.109 -8.113 -20.131 373 2HG ARG 56 1HG ARG 56 -7.319 -9.832 -19.794 374 1HD ARG 56 2HD ARG 56 -9.605 -8.948 -18.720 375 2HD ARG 56 1HD ARG 56 -9.359 -7.655 -19.893 376 HE ARG 56 HE ARG 56 -9.456 -10.541 -20.678 377 1HH1 ARG 56 1HH2 ARG 56 -11.651 -8.187 -20.662 378 2HH1 ARG 56 2HH2 ARG 56 -11.792 -7.972 -22.375 379 1HH2 ARG 56 1HH1 ARG 56 -8.965 -9.842 -23.109 380 2HH2 ARG 56 2HH1 ARG 56 -10.270 -8.907 -23.760 381 H CYS 57 H CYS 57 -6.977 -6.707 -15.723 382 HA CYS 57 HA CYS 57 -4.400 -7.186 -14.331 383 1HB CYS 57 2HB CYS 57 -5.840 -4.998 -14.117 384 2HB CYS 57 1HB CYS 57 -6.826 -5.977 -13.041 385 H THR 58 H THR 58 -4.487 -8.226 -12.215 386 HA THR 58 HA THR 58 -6.373 -10.499 -12.186 387 HB THR 58 HB THR 58 -4.903 -11.501 -10.606 388 HG1 THR 58 HG1 THR 58 -4.168 -8.835 -10.156 389 1HG2 THR 58 1HG2 THR 58 -3.397 -11.807 -12.246 390 2HG2 THR 58 2HG2 THR 58 -2.588 -10.328 -11.729 391 3HG2 THR 58 3HG2 THR 58 -3.832 -10.262 -12.977 392 H GLY 59 H GLY 59 -6.699 -10.970 -9.492 393 1HA GLY 59 2HA GLY 59 -8.441 -8.694 -8.739 394 2HA GLY 59 1HA GLY 59 -8.494 -10.303 -8.026 395 H GLN 60 H GLN 60 -5.292 -9.329 -8.298 396 HA GLN 60 HA GLN 60 -5.202 -7.770 -5.807 397 1HB GLN 60 2HB GLN 60 -3.817 -10.459 -5.879 398 2HB GLN 60 1HB GLN 60 -3.990 -9.372 -4.503 399 1HG GLN 60 2HG GLN 60 -6.443 -9.700 -4.559 400 2HG GLN 60 1HG GLN 60 -6.254 -10.815 -5.913 401 1HE2 GLN 60 1HE2 GLN 60 -5.991 -12.981 -5.359 402 2HE2 GLN 60 2HE2 GLN 60 -5.519 -13.541 -3.828 403 H SER 61 H SER 61 -4.290 -7.488 -8.634 404 HA SER 61 HA SER 61 -1.329 -7.455 -8.199 405 1HB SER 61 2HB SER 61 -2.299 -8.660 -10.223 406 2HB SER 61 1HB SER 61 -2.784 -7.078 -10.827 407 HG SER 61 HG SER 61 -0.699 -6.511 -11.035 408 H ALA 62 H ALA 62 -0.195 -5.502 -8.372 409 HA ALA 62 HA ALA 62 -1.901 -3.054 -8.555 410 1HB ALA 62 1HB ALA 62 -0.870 -2.625 -6.577 411 2HB ALA 62 2HB ALA 62 0.521 -2.200 -7.575 412 3HB ALA 62 3HB ALA 62 0.396 -3.815 -6.876 413 H ASP 63 H ASP 63 0.557 -4.830 -10.136 414 HA ASP 63 HA ASP 63 1.273 -2.434 -11.765 415 1HB ASP 63 2HB ASP 63 2.804 -5.002 -11.748 416 2HB ASP 63 1HB ASP 63 3.355 -3.407 -12.239 417 H CYS 64 H CYS 64 2.234 -3.694 -14.016 418 HA CYS 64 HA CYS 64 0.172 -5.585 -14.946 419 1HB CYS 64 2HB CYS 64 -0.929 -3.481 -15.370 420 2HB CYS 64 1HB CYS 64 0.521 -2.810 -16.111 421 HA PRO 65 HA PRO 65 3.699 -6.976 -17.098 422 1HB PRO 65 2HB PRO 65 2.371 -8.900 -18.530 423 2HB PRO 65 1HB PRO 65 2.846 -9.100 -16.845 424 1HG PRO 65 2HG PRO 65 0.150 -8.608 -18.012 425 2HG PRO 65 1HG PRO 65 0.585 -9.381 -16.479 426 1HD PRO 65 2HD PRO 65 -0.363 -6.746 -16.787 427 2HD PRO 65 1HD PRO 65 0.397 -7.420 -15.330 428 H ARG 66 H ARG 66 4.060 -7.634 -19.608 429 HA ARG 66 HA ARG 66 3.014 -5.345 -21.155 430 1HB ARG 66 2HB ARG 66 4.889 -6.105 -22.773 431 2HB ARG 66 1HB ARG 66 5.371 -5.355 -21.250 432 1HG ARG 66 2HG ARG 66 6.006 -7.399 -20.296 433 2HG ARG 66 1HG ARG 66 5.022 -8.338 -21.418 434 1HD ARG 66 2HD ARG 66 6.795 -8.574 -22.781 435 2HD ARG 66 1HD ARG 66 6.896 -6.821 -22.950 436 HE ARG 66 HE ARG 66 8.802 -8.327 -21.576 437 1HH1 ARG 66 1HH2 ARG 66 8.498 -5.230 -21.886 438 2HH1 ARG 66 2HH2 ARG 66 8.649 -4.755 -20.228 439 1HH2 ARG 66 1HH1 ARG 66 8.182 -7.958 -18.988 440 2HH2 ARG 66 2HH1 ARG 66 8.471 -6.297 -18.588 441 H TYR 67 H TYR 67 3.280 -6.216 -23.728 442 HA TYR 67 HA TYR 67 1.910 -8.786 -24.040 443 1HB TYR 67 2HB TYR 67 0.278 -7.311 -25.640 444 2HB TYR 67 1HB TYR 67 -0.137 -7.765 -23.989 445 HD1 TYR 67 HD1 TYR 67 0.360 -6.158 -22.101 446 HD2 TYR 67 HD2 TYR 67 0.672 -5.037 -26.236 447 HE1 TYR 67 HE1 TYR 67 0.294 -3.764 -21.457 448 HE2 TYR 67 HE2 TYR 67 0.607 -2.644 -25.592 449 HH TYR 67 HH TYR 67 1.126 -1.557 -22.506 450 H HIS 68 HN HIS 68 2.593 -5.783 -25.877 451 HA HIS 68 HA HIS 68 3.813 -7.522 -27.981 452 1HB HIS 68 2HB HIS 68 2.015 -6.349 -28.994 453 2HB HIS 68 1HB HIS 68 2.389 -4.855 -28.137 454 HD1 HIS 68 HD1 HIS 68 3.380 -3.194 -29.694 455 HD2 HIS 68 HD2 HIS 68 4.603 -7.068 -30.632 456 HE1 HIS 68 HE1 HIS 68 4.953 -2.991 -31.669 Start of MODEL 6 1 1H GLY 1 1HT GLY 1 15.331 -5.592 -1.783 2 2H GLY 1 2HT GLY 1 14.030 -4.861 -0.972 3 3H GLY 1 3HT GLY 1 14.681 -4.139 -2.366 4 1HA GLY 1 1HA GLY 1 13.837 -5.804 -3.773 5 2HA GLY 1 2HA GLY 1 13.445 -6.829 -2.393 6 H LYS 2 H LYS 2 12.325 -4.319 -4.446 7 HA LYS 2 HA LYS 2 10.388 -2.965 -4.380 8 1HB LYS 2 2HB LYS 2 8.347 -4.325 -4.037 9 2HB LYS 2 1HB LYS 2 9.517 -5.163 -5.057 10 1HG LYS 2 2HG LYS 2 10.249 -6.538 -3.215 11 2HG LYS 2 1HG LYS 2 9.298 -5.594 -2.068 12 1HD LYS 2 2HD LYS 2 7.459 -6.383 -4.027 13 2HD LYS 2 1HD LYS 2 8.462 -7.809 -3.754 14 1HE LYS 2 2HE LYS 2 7.531 -6.288 -1.358 15 2HE LYS 2 1HE LYS 2 6.349 -7.280 -2.211 16 1HZ LYS 2 1HZ LYS 2 7.557 -8.462 -0.421 17 2HZ LYS 2 2HZ LYS 2 8.995 -8.267 -1.303 18 3HZ LYS 2 3HZ LYS 2 7.722 -9.191 -1.944 19 H GLU 3 H GLU 3 11.987 -2.712 -1.985 20 HA GLU 3 HA GLU 3 10.037 -2.709 0.235 21 1HB GLU 3 2HB GLU 3 11.938 -2.009 1.622 22 2HB GLU 3 1HB GLU 3 12.381 -3.415 0.653 23 1HG GLU 3 2HG GLU 3 13.287 -1.739 -1.071 24 2HG GLU 3 1HG GLU 3 13.149 -0.528 0.204 25 H CYS 4 H CYS 4 9.483 -0.990 -1.981 26 HA CYS 4 HA CYS 4 9.225 1.546 -0.533 27 1HB CYS 4 2HB CYS 4 11.417 1.611 -1.854 28 2HB CYS 4 1HB CYS 4 10.395 1.626 -3.268 29 H ASP 5 H ASP 5 7.077 0.460 -0.664 30 HA ASP 5 HA ASP 5 5.598 -0.113 -2.925 31 1HB ASP 5 2HB ASP 5 5.008 0.039 -0.304 32 2HB ASP 5 1HB ASP 5 4.178 1.490 -0.872 33 H CYS 6 H CYS 6 6.735 3.038 -1.986 34 HA CYS 6 HA CYS 6 5.076 4.183 -4.203 35 1HB CYS 6 2HB CYS 6 4.875 6.249 -2.941 36 2HB CYS 6 1HB CYS 6 4.335 4.913 -1.924 37 H SER 7 H SER 7 6.090 6.246 -5.094 38 HA SER 7 HA SER 7 9.066 6.162 -4.905 39 1HB SER 7 2HB SER 7 7.465 5.478 -7.170 40 2HB SER 7 1HB SER 7 8.330 6.968 -7.528 41 HG SER 7 HG SER 7 10.185 5.931 -7.409 42 H SER 8 H SER 8 6.715 7.945 -3.943 43 HA SER 8 HA SER 8 7.987 10.492 -4.818 44 1HB SER 8 2HB SER 8 5.574 11.452 -4.711 45 2HB SER 8 1HB SER 8 6.038 10.530 -6.138 46 HG SER 8 HG SER 8 4.502 9.202 -5.638 47 HA PRO 9 HA PRO 9 7.889 10.964 -0.389 48 1HB PRO 9 2HB PRO 9 9.157 13.400 -0.349 49 2HB PRO 9 1HB PRO 9 10.003 11.860 -0.576 50 1HG PRO 9 2HG PRO 9 9.383 13.971 -2.585 51 2HG PRO 9 1HG PRO 9 10.685 12.770 -2.585 52 1HD PRO 9 2HD PRO 9 8.282 12.632 -4.089 53 2HD PRO 9 1HD PRO 9 9.452 11.316 -3.855 54 H GLU 10 H GLU 10 5.850 12.361 -2.498 55 HA GLU 10 HA GLU 10 4.719 14.183 -0.414 56 1HB GLU 10 2HB GLU 10 5.722 15.451 -2.327 57 2HB GLU 10 1HB GLU 10 4.600 14.627 -3.411 58 1HG GLU 10 2HG GLU 10 2.734 15.716 -2.528 59 2HG GLU 10 1HG GLU 10 3.535 16.056 -0.993 60 H ASN 11 H ASN 11 4.272 11.394 -2.153 61 HA ASN 11 HA ASN 11 1.519 11.587 -2.914 62 1HB ASN 11 2HB ASN 11 3.554 9.640 -3.043 63 2HB ASN 11 1HB ASN 11 2.251 8.908 -2.107 64 1HD2 ASN 11 1HD2 ASN 11 2.437 7.649 -4.426 65 2HD2 ASN 11 2HD2 ASN 11 1.315 8.189 -5.579 66 HA PRO 12 HA PRO 12 -0.458 11.209 0.995 67 1HB PRO 12 2HB PRO 12 -2.852 10.158 0.138 68 2HB PRO 12 1HB PRO 12 -2.398 11.857 -0.076 69 1HG PRO 12 2HG PRO 12 -2.489 9.669 -2.100 70 2HG PRO 12 1HG PRO 12 -2.661 11.416 -2.330 71 1HD PRO 12 2HD PRO 12 -0.335 9.894 -2.870 72 2HD PRO 12 1HD PRO 12 -0.426 11.666 -2.778 73 H CYS 13 H CYS 13 -0.476 8.402 -1.169 74 HA CYS 13 HA CYS 13 -0.785 6.578 1.164 75 1HB CYS 13 2HB CYS 13 -1.429 6.457 -1.694 76 2HB CYS 13 1HB CYS 13 -0.588 5.013 -1.126 77 H CYS 14 H CYS 14 1.684 8.105 0.710 78 HA CYS 14 HA CYS 14 3.532 5.799 0.255 79 1HB CYS 14 2HB CYS 14 3.816 7.153 -1.676 80 2HB CYS 14 1HB CYS 14 3.718 8.645 -0.745 81 H ASP 15 H ASP 15 5.505 5.886 1.448 82 HA ASP 15 HA ASP 15 5.517 7.785 3.750 83 1HB ASP 15 2HB ASP 15 4.862 5.174 4.041 84 2HB ASP 15 1HB ASP 15 6.613 5.083 4.181 85 H ALA 16 H ALA 16 7.296 9.031 3.358 86 HA ALA 16 HA ALA 16 9.588 7.945 1.912 87 1HB ALA 16 1HB ALA 16 8.505 10.417 1.967 88 2HB ALA 16 2HB ALA 16 10.191 10.120 1.544 89 3HB ALA 16 3HB ALA 16 9.769 10.619 3.181 90 H ALA 17 H ALA 17 8.769 7.250 4.861 91 HA ALA 17 HA ALA 17 11.429 7.858 6.082 92 1HB ALA 17 1HB ALA 17 10.186 7.036 8.211 93 2HB ALA 17 2HB ALA 17 8.717 7.244 7.257 94 3HB ALA 17 3HB ALA 17 9.765 8.627 7.577 95 H THR 18 H THR 18 9.402 5.417 4.802 96 HA THR 18 HA THR 18 11.442 3.375 5.461 97 HB THR 18 HB THR 18 8.659 3.486 6.411 98 HG1 THR 18 HG1 THR 18 10.852 3.282 7.511 99 1HG2 THR 18 1HG2 THR 18 8.311 1.734 4.784 100 2HG2 THR 18 2HG2 THR 18 8.430 0.988 6.378 101 3HG2 THR 18 3HG2 THR 18 9.802 0.930 5.273 102 H CYS 19 H CYS 19 9.874 4.972 3.114 103 HA CYS 19 HA CYS 19 9.291 4.481 0.888 104 1HB CYS 19 2HB CYS 19 11.668 3.003 1.535 105 2HB CYS 19 1HB CYS 19 10.688 2.095 0.407 106 H LYS 20 H LYS 20 7.112 3.940 1.633 107 HA LYS 20 HA LYS 20 6.173 1.453 0.623 108 1HB LYS 20 2HB LYS 20 6.904 1.469 3.508 109 2HB LYS 20 1HB LYS 20 5.355 0.737 3.085 110 1HG LYS 20 2HG LYS 20 6.992 -0.313 1.152 111 2HG LYS 20 1HG LYS 20 8.088 -0.217 2.531 112 1HD LYS 20 2HD LYS 20 5.622 -1.176 3.537 113 2HD LYS 20 1HD LYS 20 5.952 -2.091 2.066 114 1HE LYS 20 2HE LYS 20 7.930 -1.688 4.329 115 2HE LYS 20 1HE LYS 20 6.968 -3.147 4.080 116 1HZ LYS 20 1HZ LYS 20 8.006 -3.478 1.961 117 2HZ LYS 20 2HZ LYS 20 9.220 -3.296 3.136 118 3HZ LYS 20 3HZ LYS 20 8.852 -2.012 2.086 119 H LEU 21 H LEU 21 3.795 1.069 1.521 120 HA LEU 21 HA LEU 21 2.294 3.417 0.989 121 1HB LEU 21 2HB LEU 21 1.703 0.714 2.092 122 2HB LEU 21 1HB LEU 21 0.502 1.972 2.381 123 HG LEU 21 HG LEU 21 1.645 1.288 -0.341 124 1HD1 LEU 21 1HD1 LEU 21 -0.336 -0.048 1.230 125 2HD1 LEU 21 2HD1 LEU 21 0.142 -0.384 -0.433 126 3HD1 LEU 21 3HD1 LEU 21 -1.155 0.765 -0.104 127 1HD2 LEU 21 1HD2 LEU 21 0.665 3.207 -1.003 128 2HD2 LEU 21 2HD2 LEU 21 0.207 3.544 0.666 129 3HD2 LEU 21 3HD2 LEU 21 -0.884 2.635 -0.381 130 H ARG 22 H ARG 22 1.700 5.108 2.285 131 HA ARG 22 HA ARG 22 2.787 5.263 4.973 132 1HB ARG 22 2HB ARG 22 2.746 7.398 4.186 133 2HB ARG 22 1HB ARG 22 1.409 7.078 3.089 134 1HG ARG 22 2HG ARG 22 -0.196 7.291 4.903 135 2HG ARG 22 1HG ARG 22 1.103 7.416 6.089 136 1HD ARG 22 2HD ARG 22 0.560 9.387 3.847 137 2HD ARG 22 1HD ARG 22 0.206 9.647 5.554 138 HE ARG 22 HE ARG 22 2.983 8.994 5.228 139 1HH1 ARG 22 1HH1 ARG 22 1.429 11.325 6.675 140 2HH1 ARG 22 2HH1 ARG 22 2.217 12.682 5.941 141 1HH2 ARG 22 1HH2 ARG 22 3.677 10.807 3.416 142 2HH2 ARG 22 2HH2 ARG 22 3.489 12.389 4.095 143 HA PRO 23 HA PRO 23 -1.793 4.900 6.283 144 1HB PRO 23 2HB PRO 23 -3.658 4.476 4.312 145 2HB PRO 23 1HB PRO 23 -3.166 6.089 4.856 146 1HG PRO 23 2HG PRO 23 -2.434 4.643 2.350 147 2HG PRO 23 1HG PRO 23 -2.551 6.387 2.643 148 1HD PRO 23 2HD PRO 23 -0.155 4.900 2.533 149 2HD PRO 23 1HD PRO 23 -0.335 6.538 3.196 150 H GLY 24 H GLY 24 -3.780 3.049 5.515 151 1HA GLY 24 2HA GLY 24 -2.198 0.524 5.502 152 2HA GLY 24 1HA GLY 24 -3.844 0.685 6.115 153 H ALA 25 H ALA 25 -3.149 2.295 3.149 154 HA ALA 25 HA ALA 25 -5.157 0.924 1.683 155 1HB ALA 25 1HB ALA 25 -4.340 2.103 -0.244 156 2HB ALA 25 2HB ALA 25 -2.752 2.319 0.491 157 3HB ALA 25 3HB ALA 25 -4.147 3.182 1.136 158 H GLN 26 H GLN 26 -4.697 -0.342 -0.377 159 HA GLN 26 HA GLN 26 -2.874 -2.553 0.287 160 1HB GLN 26 2HB GLN 26 -5.311 -2.460 -0.959 161 2HB GLN 26 1HB GLN 26 -4.222 -2.560 -2.342 162 1HG GLN 26 2HG GLN 26 -3.816 -4.735 -1.935 163 2HG GLN 26 1HG GLN 26 -3.356 -4.378 -0.270 164 1HE2 GLN 26 1HE2 GLN 26 -5.013 -6.668 -1.232 165 2HE2 GLN 26 2HE2 GLN 26 -6.507 -6.526 -0.436 166 H CYS 27 H CYS 27 -2.717 0.355 -1.457 167 HA CYS 27 HA CYS 27 -0.028 -0.071 -2.294 168 1HB CYS 27 2HB CYS 27 -0.413 -0.117 -4.769 169 2HB CYS 27 1HB CYS 27 -0.983 -1.574 -3.961 170 H GLY 28 H GLY 28 0.830 1.844 -3.372 171 1HA GLY 28 2HA GLY 28 -0.985 4.196 -3.054 172 2HA GLY 28 1HA GLY 28 0.770 4.263 -2.894 173 H GLU 29 H GLU 29 0.562 2.269 -5.378 174 HA GLU 29 HA GLU 29 -0.389 3.846 -7.564 175 1HB GLU 29 2HB GLU 29 1.644 4.793 -8.433 176 2HB GLU 29 1HB GLU 29 1.529 5.290 -6.744 177 1HG GLU 29 2HG GLU 29 3.145 3.687 -6.050 178 2HG GLU 29 1HG GLU 29 3.054 2.817 -7.582 179 H GLY 30 H GLY 30 -0.278 2.646 -9.473 180 1HA GLY 30 2HA GLY 30 1.642 0.641 -10.063 181 2HA GLY 30 1HA GLY 30 0.261 -0.142 -9.294 182 H LEU 31 H LEU 31 0.896 -0.732 -11.949 183 HA LEU 31 HA LEU 31 -0.495 0.881 -13.861 184 1HB LEU 31 2HB LEU 31 0.840 -1.680 -13.806 185 2HB LEU 31 1HB LEU 31 -0.598 -1.734 -14.815 186 HG LEU 31 HG LEU 31 1.537 -1.015 -15.994 187 1HD1 LEU 31 1HD1 LEU 31 -0.557 -0.508 -17.041 188 2HD1 LEU 31 2HD1 LEU 31 0.385 0.983 -17.086 189 3HD1 LEU 31 3HD1 LEU 31 -0.895 0.785 -15.889 190 1HD2 LEU 31 1HD2 LEU 31 2.132 0.446 -13.896 191 2HD2 LEU 31 2HD2 LEU 31 1.102 1.652 -14.668 192 3HD2 LEU 31 3HD2 LEU 31 2.534 1.049 -15.504 193 H CYS 32 H CYS 32 -1.622 -1.139 -11.375 194 HA CYS 32 HA CYS 32 -4.388 -0.871 -12.391 195 1HB CYS 32 2HB CYS 32 -3.458 -3.546 -11.355 196 2HB CYS 32 1HB CYS 32 -4.914 -3.170 -12.276 197 H CYS 33 H CYS 33 -3.882 0.717 -10.457 198 HA CYS 33 HA CYS 33 -4.874 -0.650 -8.013 199 1HB CYS 33 2HB CYS 33 -2.253 0.569 -8.340 200 2HB CYS 33 1HB CYS 33 -3.168 1.335 -7.039 201 H GLU 34 H GLU 34 -6.729 0.341 -7.489 202 HA GLU 34 HA GLU 34 -7.527 2.888 -8.547 203 1HB GLU 34 2HB GLU 34 -8.829 0.782 -7.404 204 2HB GLU 34 1HB GLU 34 -8.870 1.966 -6.103 205 1HG GLU 34 2HG GLU 34 -10.513 3.083 -7.157 206 2HG GLU 34 1HG GLU 34 -9.453 3.326 -8.546 207 H GLN 35 H GLN 35 -8.598 4.354 -6.508 208 HA GLN 35 HA GLN 35 -6.401 5.845 -5.531 209 1HB GLN 35 2HB GLN 35 -9.268 5.940 -5.349 210 2HB GLN 35 1HB GLN 35 -8.582 6.218 -3.748 211 1HG GLN 35 2HG GLN 35 -7.116 7.636 -5.842 212 2HG GLN 35 1HG GLN 35 -8.812 8.116 -5.766 213 1HE2 GLN 35 1HE2 GLN 35 -5.745 8.236 -4.067 214 2HE2 GLN 35 2HE2 GLN 35 -6.284 9.184 -2.767 215 H CYS 36 H CYS 36 -4.935 4.376 -4.512 216 HA CYS 36 HA CYS 36 -3.994 3.303 -2.652 217 1HB CYS 36 2HB CYS 36 -6.316 4.732 -1.337 218 2HB CYS 36 1HB CYS 36 -5.128 3.799 -0.428 219 H LYS 37 H LYS 37 -5.586 1.695 -4.292 220 HA LYS 37 HA LYS 37 -6.323 -0.405 -2.402 221 1HB LYS 37 2HB LYS 37 -8.360 1.346 -3.527 222 2HB LYS 37 1HB LYS 37 -8.627 -0.335 -3.987 223 1HG LYS 37 2HG LYS 37 -7.879 0.144 -1.152 224 2HG LYS 37 1HG LYS 37 -9.484 0.691 -1.639 225 1HD LYS 37 2HD LYS 37 -9.717 -1.654 -2.729 226 2HD LYS 37 1HD LYS 37 -8.350 -2.101 -1.707 227 1HE LYS 37 2HE LYS 37 -9.649 -1.198 0.267 228 2HE LYS 37 1HE LYS 37 -11.039 -1.038 -0.806 229 1HZ LYS 37 1HZ LYS 37 -9.851 -3.602 -1.060 230 2HZ LYS 37 2HZ LYS 37 -11.447 -3.194 -0.643 231 3HZ LYS 37 3HZ LYS 37 -10.251 -3.295 0.560 232 H PHE 38 H PHE 38 -6.382 -2.455 -3.435 233 HA PHE 38 HA PHE 38 -4.924 -2.707 -5.887 234 1HB PHE 38 2HB PHE 38 -6.549 -4.567 -4.181 235 2HB PHE 38 1HB PHE 38 -6.079 -5.093 -5.792 236 HD1 PHE 38 HD1 PHE 38 -3.698 -2.759 -4.532 237 HD2 PHE 38 HD2 PHE 38 -4.893 -6.878 -4.270 238 HE1 PHE 38 HE1 PHE 38 -1.443 -3.365 -3.703 239 HE2 PHE 38 HE2 PHE 38 -2.638 -7.479 -3.438 240 HZ PHE 38 HZ PHE 38 -0.913 -5.723 -3.153 241 H SER 39 H SER 39 -5.665 -2.324 -7.937 242 HA SER 39 HA SER 39 -8.340 -1.609 -8.530 243 1HB SER 39 2HB SER 39 -6.161 -2.671 -10.302 244 2HB SER 39 1HB SER 39 -7.708 -2.125 -10.923 245 HG SER 39 HG SER 39 -7.110 -0.133 -10.599 246 H ARG 40 H ARG 40 -9.677 -2.974 -10.228 247 HA ARG 40 HA ARG 40 -9.979 -5.647 -9.028 248 1HB ARG 40 2HB ARG 40 -11.797 -3.683 -9.969 249 2HB ARG 40 1HB ARG 40 -11.968 -5.101 -11.003 250 1HG ARG 40 2HG ARG 40 -13.264 -5.958 -9.360 251 2HG ARG 40 1HG ARG 40 -11.760 -6.200 -8.470 252 1HD ARG 40 2HD ARG 40 -11.991 -4.073 -7.356 253 2HD ARG 40 1HD ARG 40 -13.359 -3.629 -8.377 254 HE ARG 40 HE ARG 40 -14.605 -5.529 -7.253 255 1HH1 ARG 40 1HH2 ARG 40 -11.521 -5.201 -5.936 256 2HH1 ARG 40 2HH2 ARG 40 -12.043 -5.181 -4.284 257 1HH2 ARG 40 1HH1 ARG 40 -15.417 -5.040 -5.075 258 2HH2 ARG 40 2HH1 ARG 40 -14.250 -5.089 -3.797 259 H ALA 41 H ALA 41 -10.119 -7.547 -10.409 260 HA ALA 41 HA ALA 41 -8.187 -7.703 -12.452 261 1HB ALA 41 1HB ALA 41 -8.894 -9.796 -11.668 262 2HB ALA 41 2HB ALA 41 -9.684 -9.714 -13.242 263 3HB ALA 41 3HB ALA 41 -10.601 -9.368 -11.777 264 H GLY 42 H GLY 42 -9.037 -8.471 -14.845 265 1HA GLY 42 2HA GLY 42 -9.988 -7.675 -16.844 266 2HA GLY 42 1HA GLY 42 -11.322 -7.080 -15.863 267 H LYS 43 H LYS 43 -8.039 -6.138 -15.108 268 HA LYS 43 HA LYS 43 -8.779 -3.353 -15.796 269 1HB LYS 43 2HB LYS 43 -8.000 -3.544 -13.550 270 2HB LYS 43 1HB LYS 43 -6.628 -4.534 -14.040 271 1HG LYS 43 2HG LYS 43 -5.862 -2.254 -13.602 272 2HG LYS 43 1HG LYS 43 -5.728 -2.595 -15.323 273 1HD LYS 43 2HD LYS 43 -7.635 -1.305 -15.852 274 2HD LYS 43 1HD LYS 43 -8.198 -1.297 -14.181 275 1HE LYS 43 2HE LYS 43 -6.777 0.393 -13.565 276 2HE LYS 43 1HE LYS 43 -5.508 -0.129 -14.673 277 1HZ LYS 43 1HZ LYS 43 -7.949 0.822 -15.915 278 2HZ LYS 43 2HZ LYS 43 -6.328 1.106 -16.340 279 3HZ LYS 43 3HZ LYS 43 -7.051 2.000 -15.089 280 H ILE 44 H ILE 44 -8.009 -2.497 -17.663 281 HA ILE 44 HA ILE 44 -6.029 -3.955 -19.210 282 HB ILE 44 HB ILE 44 -7.789 -2.850 -20.410 283 1HG1 ILE 44 2HG1 ILE 44 -6.413 -1.156 -21.779 284 2HG1 ILE 44 1HG1 ILE 44 -5.079 -1.530 -20.686 285 1HG2 ILE 44 1HG2 ILE 44 -8.671 -0.961 -19.588 286 2HG2 ILE 44 2HG2 ILE 44 -7.190 -0.096 -20.003 287 3HG2 ILE 44 3HG2 ILE 44 -7.357 -0.848 -18.416 288 1HD1 ILE 44 1HD1 ILE 44 -6.535 -3.848 -21.862 289 2HD1 ILE 44 2HD1 ILE 44 -4.816 -3.657 -21.516 290 3HD1 ILE 44 3HD1 ILE 44 -5.513 -2.915 -22.955 291 H CYS 45 H CYS 45 -4.026 -3.908 -18.253 292 HA CYS 45 HA CYS 45 -2.916 -1.412 -17.164 293 1HB CYS 45 2HB CYS 45 -0.928 -2.807 -16.694 294 2HB CYS 45 1HB CYS 45 -2.396 -3.564 -16.099 295 H ARG 46 H ARG 46 -3.446 -2.351 -20.219 296 HA ARG 46 HA ARG 46 -1.620 -0.515 -21.396 297 1HB ARG 46 2HB ARG 46 -0.523 -3.146 -20.842 298 2HB ARG 46 1HB ARG 46 -0.528 -2.818 -22.575 299 1HG ARG 46 2HG ARG 46 0.551 -0.602 -22.098 300 2HG ARG 46 1HG ARG 46 0.685 -1.085 -20.406 301 1HD ARG 46 2HD ARG 46 2.711 -1.516 -22.005 302 2HD ARG 46 1HD ARG 46 2.229 -2.784 -20.877 303 HE ARG 46 HE ARG 46 1.151 -3.949 -22.752 304 1HH1 ARG 46 1HH2 ARG 46 0.832 -1.428 -24.457 305 2HH1 ARG 46 2HH2 ARG 46 2.000 -1.723 -25.702 306 1HH2 ARG 46 1HH1 ARG 46 3.624 -4.235 -23.947 307 2HH2 ARG 46 2HH1 ARG 46 3.582 -3.312 -25.411 308 H ILE 47 H ILE 47 -2.559 0.008 -23.324 309 HA ILE 47 HA ILE 47 -4.635 -1.780 -24.409 310 HB ILE 47 HB ILE 47 -5.112 0.622 -24.276 311 1HG1 ILE 47 2HG1 ILE 47 -6.065 0.868 -26.404 312 2HG1 ILE 47 1HG1 ILE 47 -4.697 0.115 -27.216 313 1HG2 ILE 47 1HG2 ILE 47 -3.139 1.806 -24.445 314 2HG2 ILE 47 2HG2 ILE 47 -3.718 1.980 -26.102 315 3HG2 ILE 47 3HG2 ILE 47 -2.501 0.764 -25.717 316 1HD1 ILE 47 1HD1 ILE 47 -6.740 -1.340 -27.148 317 2HD1 ILE 47 2HD1 ILE 47 -6.612 -1.366 -25.390 318 3HD1 ILE 47 3HD1 ILE 47 -5.334 -2.075 -26.378 319 H ALA 48 H ALA 48 -2.109 -2.929 -24.609 320 HA ALA 48 HA ALA 48 -0.511 -3.729 -26.150 321 1HB ALA 48 1HB ALA 48 -2.159 -3.821 -28.478 322 2HB ALA 48 2HB ALA 48 -3.182 -4.161 -27.082 323 3HB ALA 48 3HB ALA 48 -1.749 -5.141 -27.384 324 H LYS 49 H LYS 49 -0.406 -3.346 -28.962 325 HA LYS 49 HA LYS 49 -0.075 -0.418 -29.283 326 1HB LYS 49 2HB LYS 49 1.999 -2.437 -30.058 327 2HB LYS 49 1HB LYS 49 2.146 -0.688 -30.182 328 1HG LYS 49 2HG LYS 49 1.563 -1.956 -27.519 329 2HG LYS 49 1HG LYS 49 3.217 -1.927 -28.128 330 1HD LYS 49 2HD LYS 49 2.512 0.639 -28.611 331 2HD LYS 49 1HD LYS 49 1.503 0.313 -27.201 332 1HE LYS 49 2HE LYS 49 3.618 1.145 -26.392 333 2HE LYS 49 1HE LYS 49 3.565 -0.583 -26.045 334 1HZ LYS 49 1HZ LYS 49 5.678 0.220 -27.057 335 2HZ LYS 49 2HZ LYS 49 4.813 0.560 -28.481 336 3HZ LYS 49 3HZ LYS 49 4.927 -1.037 -27.912 337 H GLY 50 H GLY 50 0.665 -3.331 -31.110 338 1HA GLY 50 2HA GLY 50 -0.363 -2.209 -33.573 339 2HA GLY 50 1HA GLY 50 0.209 -3.860 -33.359 340 H ASP 51 H ASP 51 -1.960 -3.241 -30.919 341 HA ASP 51 HA ASP 51 -4.270 -3.612 -30.639 342 1HB ASP 51 2HB ASP 51 -4.119 -2.873 -33.339 343 2HB ASP 51 1HB ASP 51 -4.990 -4.405 -33.314 344 H TRP 52 H TRP 52 -4.653 -5.501 -29.642 345 HA TRP 52 HA TRP 52 -5.223 -7.945 -30.821 346 1HB TRP 52 2HB TRP 52 -2.927 -9.115 -30.199 347 2HB TRP 52 1HB TRP 52 -3.138 -8.344 -31.768 348 HD1 TRP 52 HD1 TRP 52 -2.559 -6.430 -28.492 349 HE1 TRP 52 HE1 TRP 52 -0.337 -5.150 -28.671 350 HE3 TRP 52 HE3 TRP 52 -0.906 -8.174 -32.989 351 HZ2 TRP 52 HZ2 TRP 52 1.850 -4.881 -30.493 352 HZ3 TRP 52 HZ3 TRP 52 1.243 -7.380 -33.929 353 HH2 TRP 52 HH2 TRP 52 2.624 -5.737 -32.690 354 H ASN 53 H ASN 53 -4.125 -9.797 -29.011 355 HA ASN 53 HA ASN 53 -5.705 -9.731 -26.785 356 1HB ASN 53 2HB ASN 53 -2.983 -10.826 -27.285 357 2HB ASN 53 1HB ASN 53 -3.507 -10.750 -25.603 358 1HD2 ASN 53 1HD2 ASN 53 -4.178 -12.246 -28.740 359 2HD2 ASN 53 2HD2 ASN 53 -5.272 -13.404 -28.153 360 H ASP 54 H ASP 54 -6.094 -7.870 -25.639 361 HA ASP 54 HA ASP 54 -4.036 -5.945 -25.002 362 1HB ASP 54 2HB ASP 54 -6.899 -6.318 -24.325 363 2HB ASP 54 1HB ASP 54 -5.952 -5.254 -23.292 364 H ASP 55 H ASP 55 -3.774 -5.299 -22.574 365 HA ASP 55 HA ASP 55 -3.006 -7.766 -21.112 366 1HB ASP 55 2HB ASP 55 -2.306 -4.957 -20.349 367 2HB ASP 55 1HB ASP 55 -1.462 -6.437 -19.915 368 H ARG 56 H ARG 56 -3.908 -8.259 -19.115 369 HA ARG 56 HA ARG 56 -5.943 -6.353 -18.029 370 1HB ARG 56 2HB ARG 56 -6.586 -8.693 -19.252 371 2HB ARG 56 1HB ARG 56 -6.342 -9.262 -17.601 372 1HG ARG 56 2HG ARG 56 -8.566 -8.648 -17.500 373 2HG ARG 56 1HG ARG 56 -7.803 -7.136 -17.007 374 1HD ARG 56 2HD ARG 56 -9.455 -6.623 -18.704 375 2HD ARG 56 1HD ARG 56 -7.856 -6.405 -19.413 376 HE ARG 56 HE ARG 56 -8.169 -8.528 -20.608 377 1HH1 ARG 56 1HH1 ARG 56 -10.154 -9.825 -18.794 378 2HH1 ARG 56 2HH1 ARG 56 -11.632 -9.654 -19.679 379 1HH2 ARG 56 1HH2 ARG 56 -10.391 -7.203 -21.797 380 2HH2 ARG 56 2HH2 ARG 56 -11.767 -8.169 -21.380 381 H CYS 57 H CYS 57 -6.108 -6.377 -15.722 382 HA CYS 57 HA CYS 57 -3.757 -7.623 -14.378 383 1HB CYS 57 2HB CYS 57 -5.520 -5.609 -13.027 384 2HB CYS 57 1HB CYS 57 -3.798 -5.903 -12.812 385 H THR 58 H THR 58 -4.227 -8.566 -12.214 386 HA THR 58 HA THR 58 -6.703 -10.132 -12.309 387 HB THR 58 HB THR 58 -5.739 -11.461 -10.620 388 HG1 THR 58 HG1 THR 58 -4.067 -10.633 -9.288 389 1HG2 THR 58 1HG2 THR 58 -4.257 -10.862 -12.842 390 2HG2 THR 58 2HG2 THR 58 -3.843 -12.123 -11.682 391 3HG2 THR 58 3HG2 THR 58 -3.102 -10.528 -11.552 392 H GLY 59 H GLY 59 -7.485 -10.396 -9.720 393 1HA GLY 59 2HA GLY 59 -8.607 -7.715 -9.162 394 2HA GLY 59 1HA GLY 59 -9.180 -9.234 -8.476 395 H GLN 60 H GLN 60 -5.759 -8.752 -8.480 396 HA GLN 60 HA GLN 60 -5.668 -7.467 -5.853 397 1HB GLN 60 2HB GLN 60 -4.413 -9.532 -4.904 398 2HB GLN 60 1HB GLN 60 -6.176 -9.591 -4.967 399 1HG GLN 60 2HG GLN 60 -6.183 -11.241 -6.524 400 2HG GLN 60 1HG GLN 60 -4.865 -10.507 -7.438 401 1HE2 GLN 60 1HE2 GLN 60 -5.612 -13.182 -5.540 402 2HE2 GLN 60 2HE2 GLN 60 -4.041 -13.615 -5.066 403 H SER 61 H SER 61 -4.444 -7.442 -8.701 404 HA SER 61 HA SER 61 -1.583 -7.491 -7.818 405 1HB SER 61 2HB SER 61 -2.000 -9.090 -9.619 406 2HB SER 61 1HB SER 61 -2.763 -7.835 -10.591 407 HG SER 61 HG SER 61 -0.065 -7.909 -9.694 408 H ALA 62 H ALA 62 -0.770 -5.471 -7.531 409 HA ALA 62 HA ALA 62 -2.141 -3.146 -8.676 410 1HB ALA 62 1HB ALA 62 0.384 -3.359 -7.010 411 2HB ALA 62 2HB ALA 62 -1.236 -3.024 -6.399 412 3HB ALA 62 3HB ALA 62 -0.425 -1.851 -7.437 413 H ASP 63 H ASP 63 0.550 -5.162 -9.501 414 HA ASP 63 HA ASP 63 1.555 -3.123 -11.424 415 1HB ASP 63 2HB ASP 63 2.720 -5.526 -10.127 416 2HB ASP 63 1HB ASP 63 3.317 -5.090 -11.725 417 H CYS 64 H CYS 64 2.282 -4.201 -13.602 418 HA CYS 64 HA CYS 64 0.115 -6.082 -14.446 419 1HB CYS 64 2HB CYS 64 -0.330 -4.003 -15.485 420 2HB CYS 64 1HB CYS 64 1.357 -3.746 -15.903 421 HA PRO 65 HA PRO 65 3.870 -8.388 -15.256 422 1HB PRO 65 2HB PRO 65 2.703 -10.747 -14.502 423 2HB PRO 65 1HB PRO 65 3.483 -9.650 -13.361 424 1HG PRO 65 2HG PRO 65 0.607 -10.237 -13.744 425 2HG PRO 65 1HG PRO 65 1.423 -9.514 -12.349 426 1HD PRO 65 2HD PRO 65 -0.072 -8.155 -14.380 427 2HD PRO 65 1HD PRO 65 0.833 -7.414 -13.045 428 H ARG 66 H ARG 66 4.123 -8.838 -17.436 429 HA ARG 66 HA ARG 66 2.629 -10.874 -18.757 430 1HB ARG 66 2HB ARG 66 1.020 -8.773 -18.581 431 2HB ARG 66 1HB ARG 66 1.964 -8.214 -19.963 432 1HG ARG 66 2HG ARG 66 1.028 -9.731 -21.360 433 2HG ARG 66 1HG ARG 66 1.158 -11.029 -20.173 434 1HD ARG 66 2HD ARG 66 -0.807 -9.042 -19.359 435 2HD ARG 66 1HD ARG 66 -1.191 -9.719 -20.941 436 HE ARG 66 HE ARG 66 -0.490 -11.827 -19.116 437 1HH1 ARG 66 1HH2 ARG 66 -2.489 -9.881 -17.727 438 2HH1 ARG 66 2HH2 ARG 66 -3.981 -10.695 -18.065 439 1HH2 ARG 66 1HH1 ARG 66 -2.614 -12.751 -20.499 440 2HH2 ARG 66 2HH1 ARG 66 -4.051 -12.319 -19.634 441 H TYR 67 H TYR 67 2.851 -9.186 -21.360 442 HA TYR 67 HA TYR 67 5.729 -8.767 -21.579 443 1HB TYR 67 2HB TYR 67 5.566 -10.447 -23.672 444 2HB TYR 67 1HB TYR 67 6.042 -10.996 -22.065 445 HD1 TYR 67 HD1 TYR 67 3.162 -10.676 -24.398 446 HD2 TYR 67 HD2 TYR 67 4.661 -12.474 -20.798 447 HE1 TYR 67 HE1 TYR 67 1.186 -12.171 -24.323 448 HE2 TYR 67 HE2 TYR 67 2.685 -13.972 -20.722 449 HH TYR 67 HH TYR 67 1.008 -14.895 -22.648 450 H HIS 68 HN HIS 68 2.592 -9.039 -23.210 451 HA HIS 68 HA HIS 68 3.465 -6.799 -24.992 452 1HB HIS 68 2HB HIS 68 1.863 -9.277 -25.602 453 2HB HIS 68 1HB HIS 68 1.671 -7.822 -26.581 454 HD1 HIS 68 HD1 HIS 68 3.015 -10.533 -27.594 455 HD2 HIS 68 HD2 HIS 68 5.057 -7.131 -26.314 456 HE1 HIS 68 HE1 HIS 68 5.319 -10.643 -28.640 Start of MODEL 7 1 1H GLY 1 1HT GLY 1 14.605 -8.996 -3.569 2 2H GLY 1 2HT GLY 1 15.503 -10.012 -2.546 3 3H GLY 1 3HT GLY 1 16.265 -8.725 -3.350 4 1HA GLY 1 1HA GLY 1 14.473 -8.665 -1.020 5 2HA GLY 1 2HA GLY 1 16.013 -7.842 -1.262 6 H LYS 2 H LYS 2 13.505 -6.602 -0.456 7 HA LYS 2 HA LYS 2 13.530 -4.254 -1.995 8 1HB LYS 2 2HB LYS 2 11.309 -4.573 -3.226 9 2HB LYS 2 1HB LYS 2 12.696 -5.425 -3.905 10 1HG LYS 2 2HG LYS 2 11.884 -7.486 -3.333 11 2HG LYS 2 1HG LYS 2 11.158 -6.897 -1.839 12 1HD LYS 2 2HD LYS 2 9.153 -6.668 -2.832 13 2HD LYS 2 1HD LYS 2 9.856 -5.695 -4.124 14 1HE LYS 2 2HE LYS 2 10.334 -8.646 -4.165 15 2HE LYS 2 1HE LYS 2 8.742 -8.055 -4.641 16 1HZ LYS 2 1HZ LYS 2 10.548 -6.397 -5.887 17 2HZ LYS 2 2HZ LYS 2 9.620 -7.621 -6.614 18 3HZ LYS 2 3HZ LYS 2 11.195 -7.955 -6.071 19 H GLU 3 H GLU 3 11.867 -2.741 -1.274 20 HA GLU 3 HA GLU 3 9.712 -3.536 0.451 21 1HB GLU 3 2HB GLU 3 10.780 -2.430 2.542 22 2HB GLU 3 1HB GLU 3 11.263 -4.079 2.144 23 1HG GLU 3 2HG GLU 3 13.244 -2.720 2.651 24 2HG GLU 3 1HG GLU 3 13.249 -3.191 0.951 25 H CYS 4 H CYS 4 10.031 -1.746 -1.732 26 HA CYS 4 HA CYS 4 9.294 0.788 -0.359 27 1HB CYS 4 2HB CYS 4 11.144 0.450 -2.722 28 2HB CYS 4 1HB CYS 4 10.310 1.970 -2.418 29 H ASP 5 H ASP 5 7.114 0.122 -0.658 30 HA ASP 5 HA ASP 5 5.918 -0.681 -3.092 31 1HB ASP 5 2HB ASP 5 4.957 -0.522 -0.648 32 2HB ASP 5 1HB ASP 5 4.441 1.084 -1.165 33 H CYS 6 H CYS 6 6.803 2.525 -1.935 34 HA CYS 6 HA CYS 6 5.693 3.643 -4.481 35 1HB CYS 6 2HB CYS 6 5.362 5.739 -3.351 36 2HB CYS 6 1HB CYS 6 4.680 4.488 -2.313 37 H SER 7 H SER 7 6.960 5.576 -5.277 38 HA SER 7 HA SER 7 9.877 5.071 -4.892 39 1HB SER 7 2HB SER 7 10.182 6.070 -7.101 40 2HB SER 7 1HB SER 7 8.983 4.784 -7.204 41 HG SER 7 HG SER 7 7.587 6.225 -7.803 42 H SER 8 H SER 8 7.453 7.167 -3.967 43 HA SER 8 HA SER 8 9.409 9.403 -3.663 44 1HB SER 8 2HB SER 8 6.728 9.376 -4.766 45 2HB SER 8 1HB SER 8 6.863 10.517 -3.435 46 HG SER 8 HG SER 8 8.903 10.413 -5.351 47 HA PRO 9 HA PRO 9 8.545 8.725 0.641 48 1HB PRO 9 2HB PRO 9 10.054 10.821 1.575 49 2HB PRO 9 1HB PRO 9 10.749 9.287 1.025 50 1HG PRO 9 2HG PRO 9 10.737 11.936 -0.340 51 2HG PRO 9 1HG PRO 9 11.882 10.595 -0.506 52 1HD PRO 9 2HD PRO 9 9.798 11.240 -2.317 53 2HD PRO 9 1HD PRO 9 10.748 9.739 -2.303 54 H GLU 10 H GLU 10 7.169 10.995 -1.258 55 HA GLU 10 HA GLU 10 5.992 12.500 1.045 56 1HB GLU 10 2HB GLU 10 6.614 13.270 -1.787 57 2HB GLU 10 1HB GLU 10 5.271 14.061 -0.962 58 1HG GLU 10 2HG GLU 10 7.277 15.379 -0.600 59 2HG GLU 10 1HG GLU 10 6.831 14.610 0.924 60 H ASN 11 H ASN 11 5.364 10.109 -1.248 61 HA ASN 11 HA ASN 11 2.684 10.657 -2.004 62 1HB ASN 11 2HB ASN 11 4.461 8.631 -2.498 63 2HB ASN 11 1HB ASN 11 3.298 7.826 -1.446 64 1HD2 ASN 11 1HD2 ASN 11 2.466 6.572 -3.306 65 2HD2 ASN 11 2HD2 ASN 11 1.474 7.310 -4.468 66 HA PRO 12 HA PRO 12 0.542 10.136 1.801 67 1HB PRO 12 2HB PRO 12 -1.967 9.713 0.759 68 2HB PRO 12 1HB PRO 12 -1.186 11.302 0.821 69 1HG PRO 12 2HG PRO 12 -1.594 9.500 -1.523 70 2HG PRO 12 1HG PRO 12 -1.443 11.264 -1.477 71 1HD PRO 12 2HD PRO 12 0.591 9.457 -2.229 72 2HD PRO 12 1HD PRO 12 0.821 11.173 -1.829 73 H CYS 13 H CYS 13 -0.076 7.727 -0.760 74 HA CYS 13 HA CYS 13 -0.888 5.710 1.238 75 1HB CYS 13 2HB CYS 13 -1.340 6.126 -1.547 76 2HB CYS 13 1HB CYS 13 -0.522 4.578 -1.352 77 H CYS 14 H CYS 14 1.734 6.553 1.706 78 HA CYS 14 HA CYS 14 3.122 4.016 1.428 79 1HB CYS 14 2HB CYS 14 3.615 4.851 -0.778 80 2HB CYS 14 1HB CYS 14 4.078 6.425 -0.129 81 H ASP 15 H ASP 15 3.493 4.043 3.642 82 HA ASP 15 HA ASP 15 4.199 6.137 5.313 83 1HB ASP 15 2HB ASP 15 3.984 3.520 5.706 84 2HB ASP 15 1HB ASP 15 5.734 3.610 5.579 85 H ALA 16 H ALA 16 5.759 7.657 5.014 86 HA ALA 16 HA ALA 16 7.982 7.280 3.232 87 1HB ALA 16 1HB ALA 16 7.478 9.521 3.396 88 2HB ALA 16 2HB ALA 16 8.751 9.440 4.615 89 3HB ALA 16 3HB ALA 16 7.057 9.406 5.105 90 H ALA 17 H ALA 17 7.458 6.372 6.480 91 HA ALA 17 HA ALA 17 10.210 6.562 7.387 92 1HB ALA 17 1HB ALA 17 7.943 4.840 8.435 93 2HB ALA 17 2HB ALA 17 8.290 6.488 8.957 94 3HB ALA 17 3HB ALA 17 9.447 5.198 9.281 95 H THR 18 H THR 18 8.464 4.344 5.402 96 HA THR 18 HA THR 18 10.881 2.627 5.284 97 HB THR 18 HB THR 18 9.859 0.676 5.922 98 HG1 THR 18 HG1 THR 18 7.903 0.120 5.253 99 1HG2 THR 18 1HG2 THR 18 7.953 2.665 7.187 100 2HG2 THR 18 2HG2 THR 18 9.550 2.255 7.813 101 3HG2 THR 18 3HG2 THR 18 8.282 1.030 7.760 102 H CYS 19 H CYS 19 9.496 4.614 3.524 103 HA CYS 19 HA CYS 19 8.642 4.799 1.328 104 1HB CYS 19 2HB CYS 19 10.136 3.801 -0.301 105 2HB CYS 19 1HB CYS 19 11.093 4.341 1.073 106 H LYS 20 H LYS 20 7.282 2.695 3.025 107 HA LYS 20 HA LYS 20 6.450 0.883 0.806 108 1HB LYS 20 2HB LYS 20 6.477 0.528 3.796 109 2HB LYS 20 1HB LYS 20 5.449 -0.471 2.767 110 1HG LYS 20 2HG LYS 20 7.766 -0.681 1.402 111 2HG LYS 20 1HG LYS 20 8.411 -0.443 3.026 112 1HD LYS 20 2HD LYS 20 6.368 -2.542 2.233 113 2HD LYS 20 1HD LYS 20 8.076 -2.843 2.552 114 1HE LYS 20 2HE LYS 20 7.861 -2.366 4.847 115 2HE LYS 20 1HE LYS 20 6.346 -1.493 4.615 116 1HZ LYS 20 1HZ LYS 20 6.515 -4.041 5.423 117 2HZ LYS 20 2HZ LYS 20 6.305 -4.251 3.750 118 3HZ LYS 20 3HZ LYS 20 5.160 -3.376 4.650 119 H LEU 21 H LEU 21 4.096 0.299 0.855 120 HA LEU 21 HA LEU 21 2.432 2.545 0.620 121 1HB LEU 21 2HB LEU 21 1.999 -0.360 0.923 122 2HB LEU 21 1HB LEU 21 0.642 0.658 1.400 123 HG LEU 21 HG LEU 21 2.061 1.083 -1.231 124 1HD1 LEU 21 1HD1 LEU 21 0.756 -1.271 -0.563 125 2HD1 LEU 21 2HD1 LEU 21 1.006 -0.664 -2.201 126 3HD1 LEU 21 3HD1 LEU 21 -0.502 -0.318 -1.353 127 1HD2 LEU 21 1HD2 LEU 21 -0.798 1.552 -1.083 128 2HD2 LEU 21 2HD2 LEU 21 0.492 2.678 -1.504 129 3HD2 LEU 21 3HD2 LEU 21 0.051 2.435 0.186 130 H ARG 22 H ARG 22 0.521 3.056 1.975 131 HA ARG 22 HA ARG 22 1.310 3.187 4.811 132 1HB ARG 22 2HB ARG 22 -0.470 4.761 5.078 133 2HB ARG 22 1HB ARG 22 0.242 5.140 3.511 134 1HG ARG 22 2HG ARG 22 -1.511 3.896 2.361 135 2HG ARG 22 1HG ARG 22 -2.184 3.362 3.901 136 1HD ARG 22 2HD ARG 22 -2.309 6.056 2.609 137 2HD ARG 22 1HD ARG 22 -3.559 5.175 3.486 138 HE ARG 22 HE ARG 22 -1.278 6.576 4.822 139 1HH1 ARG 22 1HH2 ARG 22 -4.379 7.272 4.464 140 2HH1 ARG 22 2HH2 ARG 22 -4.883 7.044 6.105 141 1HH2 ARG 22 1HH1 ARG 22 -1.956 5.443 7.055 142 2HH2 ARG 22 2HH1 ARG 22 -3.509 6.007 7.574 143 HA PRO 23 HA PRO 23 -0.919 -0.533 5.633 144 1HB PRO 23 2HB PRO 23 -1.211 -0.135 8.360 145 2HB PRO 23 1HB PRO 23 0.268 -0.740 7.589 146 1HG PRO 23 2HG PRO 23 -0.348 2.038 8.569 147 2HG PRO 23 1HG PRO 23 1.190 1.153 8.601 148 1HD PRO 23 2HD PRO 23 0.638 3.086 6.705 149 2HD PRO 23 1HD PRO 23 1.715 1.714 6.402 150 H GLY 24 H GLY 24 -2.762 0.262 4.424 151 1HA GLY 24 2HA GLY 24 -5.205 0.283 5.857 152 2HA GLY 24 1HA GLY 24 -4.804 1.955 5.449 153 H ALA 25 H ALA 25 -3.621 1.718 3.008 154 HA ALA 25 HA ALA 25 -5.873 1.041 1.277 155 1HB ALA 25 1HB ALA 25 -4.588 2.138 -0.460 156 2HB ALA 25 2HB ALA 25 -3.138 2.101 0.541 157 3HB ALA 25 3HB ALA 25 -4.499 3.123 1.000 158 H GLN 26 H GLN 26 -4.359 0.350 -1.038 159 HA GLN 26 HA GLN 26 -2.950 -2.154 -0.322 160 1HB GLN 26 2HB GLN 26 -5.660 -2.033 -1.321 161 2HB GLN 26 1HB GLN 26 -4.619 -2.891 -2.456 162 1HG GLN 26 2HG GLN 26 -4.382 -4.658 -1.060 163 2HG GLN 26 1HG GLN 26 -4.109 -3.617 0.338 164 1HE2 GLN 26 1HE2 GLN 26 -5.612 -5.318 1.398 165 2HE2 GLN 26 2HE2 GLN 26 -7.284 -5.054 1.280 166 H CYS 27 H CYS 27 -2.651 0.595 -1.814 167 HA CYS 27 HA CYS 27 -0.651 -0.248 -3.647 168 1HB CYS 27 2HB CYS 27 -1.697 0.088 -5.788 169 2HB CYS 27 1HB CYS 27 -2.716 -1.036 -4.892 170 H GLY 28 H GLY 28 0.654 1.505 -3.935 171 1HA GLY 28 2HA GLY 28 -0.551 4.189 -3.404 172 2HA GLY 28 1HA GLY 28 1.119 3.771 -3.025 173 H GLU 29 H GLU 29 0.880 2.234 -5.799 174 HA GLU 29 HA GLU 29 0.644 4.224 -7.821 175 1HB GLU 29 2HB GLU 29 2.895 4.907 -8.215 176 2HB GLU 29 1HB GLU 29 2.637 5.108 -6.480 177 1HG GLU 29 2HG GLU 29 4.598 3.929 -6.361 178 2HG GLU 29 1HG GLU 29 3.504 2.553 -6.498 179 H GLY 30 H GLY 30 0.341 3.029 -9.627 180 1HA GLY 30 2HA GLY 30 2.131 1.053 -10.600 181 2HA GLY 30 1HA GLY 30 0.816 0.228 -9.764 182 H LEU 31 H LEU 31 0.789 -0.413 -12.299 183 HA LEU 31 HA LEU 31 -0.475 1.465 -14.086 184 1HB LEU 31 2HB LEU 31 0.500 -1.213 -14.214 185 2HB LEU 31 1HB LEU 31 -1.135 -1.175 -14.859 186 HG LEU 31 HG LEU 31 0.577 -0.726 -16.601 187 1HD1 LEU 31 1HD1 LEU 31 -1.708 0.232 -16.766 188 2HD1 LEU 31 2HD1 LEU 31 -0.505 1.289 -17.504 189 3HD1 LEU 31 3HD1 LEU 31 -1.152 1.670 -15.909 190 1HD2 LEU 31 1HD2 LEU 31 1.364 1.316 -14.585 191 2HD2 LEU 31 2HD2 LEU 31 1.431 1.816 -16.274 192 3HD2 LEU 31 3HD2 LEU 31 2.364 0.423 -15.729 193 H CYS 32 H CYS 32 -1.642 -0.661 -11.603 194 HA CYS 32 HA CYS 32 -4.417 0.184 -12.290 195 1HB CYS 32 2HB CYS 32 -4.029 -2.568 -11.195 196 2HB CYS 32 1HB CYS 32 -5.270 -1.961 -12.290 197 H CYS 33 H CYS 33 -3.793 1.726 -10.501 198 HA CYS 33 HA CYS 33 -4.304 0.438 -7.848 199 1HB CYS 33 2HB CYS 33 -2.007 1.149 -7.794 200 2HB CYS 33 1HB CYS 33 -2.406 2.698 -8.535 201 H GLU 34 H GLU 34 -6.476 0.949 -7.698 202 HA GLU 34 HA GLU 34 -7.620 3.434 -8.590 203 1HB GLU 34 2HB GLU 34 -8.971 2.045 -6.365 204 2HB GLU 34 1HB GLU 34 -9.623 2.584 -7.905 205 1HG GLU 34 2HG GLU 34 -8.074 0.650 -8.856 206 2HG GLU 34 1HG GLU 34 -8.266 0.008 -7.225 207 H GLN 35 H GLN 35 -9.082 4.406 -6.392 208 HA GLN 35 HA GLN 35 -7.223 6.169 -5.188 209 1HB GLN 35 2HB GLN 35 -9.919 5.304 -4.094 210 2HB GLN 35 1HB GLN 35 -9.043 6.771 -3.655 211 1HG GLN 35 2HG GLN 35 -10.109 6.082 -6.410 212 2HG GLN 35 1HG GLN 35 -10.761 7.303 -5.317 213 1HE2 GLN 35 1HE2 GLN 35 -8.460 8.593 -4.405 214 2HE2 GLN 35 2HE2 GLN 35 -7.635 9.302 -5.709 215 H CYS 36 H CYS 36 -5.487 4.928 -4.349 216 HA CYS 36 HA CYS 36 -4.361 3.561 -2.807 217 1HB CYS 36 2HB CYS 36 -6.420 5.060 -1.220 218 2HB CYS 36 1HB CYS 36 -5.450 3.830 -0.425 219 H LYS 37 H LYS 37 -5.982 2.016 -4.358 220 HA LYS 37 HA LYS 37 -6.700 -0.138 -2.490 221 1HB LYS 37 2HB LYS 37 -8.716 1.614 -3.424 222 2HB LYS 37 1HB LYS 37 -8.894 0.122 -4.346 223 1HG LYS 37 2HG LYS 37 -9.865 -0.837 -2.561 224 2HG LYS 37 1HG LYS 37 -8.362 -0.632 -1.662 225 1HD LYS 37 2HD LYS 37 -9.044 1.590 -0.936 226 2HD LYS 37 1HD LYS 37 -10.497 1.504 -1.934 227 1HE LYS 37 2HE LYS 37 -10.560 -0.828 -0.380 228 2HE LYS 37 1HE LYS 37 -10.039 0.439 0.731 229 1HZ LYS 37 1HZ LYS 37 -11.991 1.682 -0.595 230 2HZ LYS 37 2HZ LYS 37 -12.228 0.841 0.862 231 3HZ LYS 37 3HZ LYS 37 -12.578 0.092 -0.623 232 H PHE 38 H PHE 38 -6.530 -2.161 -3.496 233 HA PHE 38 HA PHE 38 -5.027 -2.339 -5.909 234 1HB PHE 38 2HB PHE 38 -6.508 -4.269 -4.180 235 2HB PHE 38 1HB PHE 38 -6.083 -4.798 -5.806 236 HD1 PHE 38 HD1 PHE 38 -3.538 -3.396 -6.280 237 HD2 PHE 38 HD2 PHE 38 -4.989 -5.367 -2.749 238 HE1 PHE 38 HE1 PHE 38 -1.204 -3.799 -5.547 239 HE2 PHE 38 HE2 PHE 38 -2.654 -5.769 -2.016 240 HZ PHE 38 HZ PHE 38 -0.761 -4.986 -3.414 241 H SER 39 H SER 39 -5.687 -2.145 -7.995 242 HA SER 39 HA SER 39 -8.384 -1.553 -8.711 243 1HB SER 39 2HB SER 39 -7.613 -1.449 -10.913 244 2HB SER 39 1HB SER 39 -6.120 -1.192 -10.013 245 HG SER 39 HG SER 39 -7.074 -3.533 -11.277 246 H ARG 40 H ARG 40 -9.874 -2.923 -9.969 247 HA ARG 40 HA ARG 40 -9.963 -5.626 -8.925 248 1HB ARG 40 2HB ARG 40 -11.815 -3.791 -10.037 249 2HB ARG 40 1HB ARG 40 -11.846 -5.241 -11.040 250 1HG ARG 40 2HG ARG 40 -12.414 -6.633 -9.216 251 2HG ARG 40 1HG ARG 40 -11.929 -5.419 -8.031 252 1HD ARG 40 2HD ARG 40 -13.799 -3.982 -8.705 253 2HD ARG 40 1HD ARG 40 -14.273 -5.152 -9.935 254 HE ARG 40 HE ARG 40 -14.167 -6.394 -7.333 255 1HH1 ARG 40 1HH1 ARG 40 -16.254 -6.304 -9.722 256 2HH1 ARG 40 2HH1 ARG 40 -17.654 -5.798 -8.836 257 1HH2 ARG 40 1HH2 ARG 40 -15.861 -4.878 -6.013 258 2HH2 ARG 40 2HH2 ARG 40 -17.432 -4.990 -6.735 259 H ALA 41 H ALA 41 -9.675 -7.553 -10.103 260 HA ALA 41 HA ALA 41 -7.725 -7.625 -12.134 261 1HB ALA 41 1HB ALA 41 -7.971 -9.774 -11.431 262 2HB ALA 41 2HB ALA 41 -9.246 -9.877 -12.645 263 3HB ALA 41 3HB ALA 41 -9.652 -9.518 -10.967 264 H GLY 42 H GLY 42 -8.501 -8.910 -14.344 265 1HA GLY 42 2HA GLY 42 -9.372 -8.447 -16.478 266 2HA GLY 42 1HA GLY 42 -10.886 -8.146 -15.625 267 H LYS 43 H LYS 43 -8.144 -6.250 -14.704 268 HA LYS 43 HA LYS 43 -9.486 -3.829 -15.673 269 1HB LYS 43 2HB LYS 43 -8.507 -3.579 -13.519 270 2HB LYS 43 1HB LYS 43 -7.018 -4.375 -14.018 271 1HG LYS 43 2HG LYS 43 -6.509 -2.044 -13.920 272 2HG LYS 43 1HG LYS 43 -6.674 -2.421 -15.631 273 1HD LYS 43 2HD LYS 43 -8.220 -0.789 -15.761 274 2HD LYS 43 1HD LYS 43 -9.274 -1.797 -14.768 275 1HE LYS 43 2HE LYS 43 -7.867 -0.808 -12.776 276 2HE LYS 43 1HE LYS 43 -7.487 0.468 -13.932 277 1HZ LYS 43 1HZ LYS 43 -10.261 -0.198 -13.941 278 2HZ LYS 43 2HZ LYS 43 -9.513 1.314 -13.738 279 3HZ LYS 43 3HZ LYS 43 -9.744 0.290 -12.402 280 H ILE 44 H ILE 44 -8.265 -2.274 -17.124 281 HA ILE 44 HA ILE 44 -6.581 -3.861 -18.994 282 HB ILE 44 HB ILE 44 -8.573 -1.759 -19.353 283 1HG1 ILE 44 2HG1 ILE 44 -8.709 -4.060 -20.250 284 2HG1 ILE 44 1HG1 ILE 44 -8.767 -2.855 -21.538 285 1HG2 ILE 44 1HG2 ILE 44 -7.385 -0.913 -21.456 286 2HG2 ILE 44 2HG2 ILE 44 -5.907 -1.575 -20.759 287 3HG2 ILE 44 3HG2 ILE 44 -6.776 -0.290 -19.922 288 1HD1 ILE 44 1HD1 ILE 44 -6.082 -3.237 -21.351 289 2HD1 ILE 44 2HD1 ILE 44 -7.117 -4.141 -22.457 290 3HD1 ILE 44 3HD1 ILE 44 -6.662 -4.842 -20.904 291 H CYS 45 H CYS 45 -4.502 -3.700 -18.317 292 HA CYS 45 HA CYS 45 -3.460 -1.091 -17.374 293 1HB CYS 45 2HB CYS 45 -1.399 -2.440 -16.884 294 2HB CYS 45 1HB CYS 45 -2.838 -3.023 -16.050 295 H ARG 46 H ARG 46 -3.609 -2.978 -20.237 296 HA ARG 46 HA ARG 46 -2.040 -0.994 -21.688 297 1HB ARG 46 2HB ARG 46 -0.711 -3.322 -20.667 298 2HB ARG 46 1HB ARG 46 -0.787 -3.442 -22.425 299 1HG ARG 46 2HG ARG 46 0.559 -1.614 -22.746 300 2HG ARG 46 1HG ARG 46 -0.050 -0.784 -21.312 301 1HD ARG 46 2HD ARG 46 1.189 -2.505 -19.920 302 2HD ARG 46 1HD ARG 46 1.955 -3.050 -21.412 303 HE ARG 46 HE ARG 46 2.520 -0.396 -21.481 304 1HH1 ARG 46 1HH1 ARG 46 2.110 -0.040 -18.605 305 2HH1 ARG 46 2HH1 ARG 46 3.647 -0.457 -17.924 306 1HH2 ARG 46 1HH2 ARG 46 4.755 -2.109 -20.765 307 2HH2 ARG 46 2HH2 ARG 46 5.143 -1.628 -19.146 308 H ILE 47 H ILE 47 -2.027 -1.491 -24.052 309 HA ILE 47 HA ILE 47 -4.363 -3.216 -24.778 310 HB ILE 47 HB ILE 47 -4.869 -0.928 -25.309 311 1HG1 ILE 47 2HG1 ILE 47 -4.836 -0.984 -27.849 312 2HG1 ILE 47 1HG1 ILE 47 -3.901 -2.474 -27.729 313 1HG2 ILE 47 1HG2 ILE 47 -2.708 0.096 -25.166 314 2HG2 ILE 47 2HG2 ILE 47 -3.273 0.363 -26.815 315 3HG2 ILE 47 3HG2 ILE 47 -2.081 -0.894 -26.485 316 1HD1 ILE 47 1HD1 ILE 47 -5.862 -3.574 -27.567 317 2HD1 ILE 47 2HD1 ILE 47 -6.760 -2.067 -27.377 318 3HD1 ILE 47 3HD1 ILE 47 -6.043 -2.851 -25.969 319 H ALA 48 H ALA 48 -4.056 -4.745 -26.411 320 HA ALA 48 HA ALA 48 -1.559 -5.878 -26.876 321 1HB ALA 48 1HB ALA 48 -2.577 -6.769 -29.041 322 2HB ALA 48 2HB ALA 48 -3.998 -5.799 -28.669 323 3HB ALA 48 3HB ALA 48 -3.505 -7.090 -27.575 324 H LYS 49 H LYS 49 -0.070 -5.755 -28.686 325 HA LYS 49 HA LYS 49 0.223 -3.023 -29.706 326 1HB LYS 49 2HB LYS 49 1.961 -5.459 -29.815 327 2HB LYS 49 1HB LYS 49 2.381 -3.966 -30.644 328 1HG LYS 49 2HG LYS 49 1.590 -3.544 -27.854 329 2HG LYS 49 1HG LYS 49 3.013 -4.576 -28.016 330 1HD LYS 49 2HD LYS 49 3.486 -2.569 -29.868 331 2HD LYS 49 1HD LYS 49 2.731 -1.704 -28.529 332 1HE LYS 49 2HE LYS 49 4.674 -1.796 -27.402 333 2HE LYS 49 1HE LYS 49 4.569 -3.556 -27.397 334 1HZ LYS 49 1HZ LYS 49 5.608 -3.571 -29.592 335 2HZ LYS 49 2HZ LYS 49 6.611 -2.835 -28.434 336 3HZ LYS 49 3HZ LYS 49 5.750 -1.881 -29.547 337 H GLY 50 H GLY 50 0.219 -6.268 -31.056 338 1HA GLY 50 2HA GLY 50 -0.418 -5.178 -33.703 339 2HA GLY 50 1HA GLY 50 0.015 -6.850 -33.370 340 H ASP 51 H ASP 51 -1.709 -7.791 -31.619 341 HA ASP 51 HA ASP 51 -4.369 -6.996 -31.515 342 1HB ASP 51 2HB ASP 51 -3.648 -7.651 -34.189 343 2HB ASP 51 1HB ASP 51 -4.731 -8.904 -33.590 344 H TRP 52 H TRP 52 -4.708 -8.257 -29.718 345 HA TRP 52 HA TRP 52 -5.299 -10.995 -29.892 346 1HB TRP 52 2HB TRP 52 -3.108 -11.646 -28.435 347 2HB TRP 52 1HB TRP 52 -3.201 -11.856 -30.182 348 HD1 TRP 52 HD1 TRP 52 -2.660 -8.603 -28.190 349 HE1 TRP 52 HE1 TRP 52 -0.472 -7.514 -28.996 350 HE3 TRP 52 HE3 TRP 52 -1.093 -12.144 -31.478 351 HZ2 TRP 52 HZ2 TRP 52 1.669 -8.074 -30.809 352 HZ3 TRP 52 HZ3 TRP 52 1.022 -11.855 -32.742 353 HH2 TRP 52 HH2 TRP 52 2.405 -9.822 -32.411 354 H ASN 53 H ASN 53 -4.790 -12.010 -27.453 355 HA ASN 53 HA ASN 53 -6.568 -10.842 -25.699 356 1HB ASN 53 2HB ASN 53 -4.219 -12.615 -25.380 357 2HB ASN 53 1HB ASN 53 -4.739 -11.780 -23.917 358 1HD2 ASN 53 1HD2 ASN 53 -5.458 -13.967 -23.119 359 2HD2 ASN 53 2HD2 ASN 53 -6.943 -14.596 -23.651 360 H ASP 54 H ASP 54 -6.521 -9.201 -24.157 361 HA ASP 54 HA ASP 54 -4.264 -7.292 -24.386 362 1HB ASP 54 2HB ASP 54 -7.114 -7.103 -23.796 363 2HB ASP 54 1HB ASP 54 -6.131 -6.162 -22.675 364 H ASP 55 H ASP 55 -3.220 -6.473 -22.453 365 HA ASP 55 HA ASP 55 -2.885 -8.532 -20.403 366 1HB ASP 55 2HB ASP 55 -1.313 -6.451 -21.417 367 2HB ASP 55 1HB ASP 55 -1.693 -5.973 -19.767 368 H ARG 56 H ARG 56 -4.275 -8.678 -18.700 369 HA ARG 56 HA ARG 56 -5.607 -6.180 -17.794 370 1HB ARG 56 2HB ARG 56 -6.606 -8.939 -17.239 371 2HB ARG 56 1HB ARG 56 -7.504 -7.428 -17.188 372 1HG ARG 56 2HG ARG 56 -6.357 -7.762 -19.805 373 2HG ARG 56 1HG ARG 56 -7.262 -9.215 -19.377 374 1HD ARG 56 2HD ARG 56 -9.222 -7.838 -18.803 375 2HD ARG 56 1HD ARG 56 -8.321 -6.378 -19.211 376 HE ARG 56 HE ARG 56 -8.317 -7.133 -21.562 377 1HH1 ARG 56 1HH2 ARG 56 -11.184 -7.232 -20.203 378 2HH1 ARG 56 2HH2 ARG 56 -11.818 -8.624 -21.016 379 1HH2 ARG 56 1HH1 ARG 56 -8.736 -9.636 -22.245 380 2HH2 ARG 56 2HH1 ARG 56 -10.431 -9.986 -22.172 381 H CYS 57 H CYS 57 -5.661 -5.698 -15.610 382 HA CYS 57 HA CYS 57 -3.515 -6.834 -14.005 383 1HB CYS 57 2HB CYS 57 -5.702 -5.180 -12.785 384 2HB CYS 57 1HB CYS 57 -3.969 -5.144 -12.468 385 H THR 58 H THR 58 -3.950 -7.822 -11.846 386 HA THR 58 HA THR 58 -6.216 -9.718 -12.049 387 HB THR 58 HB THR 58 -5.074 -10.971 -10.294 388 HG1 THR 58 HG1 THR 58 -3.224 -8.823 -10.296 389 1HG2 THR 58 1HG2 THR 58 -3.593 -10.036 -12.700 390 2HG2 THR 58 2HG2 THR 58 -4.087 -11.668 -12.245 391 3HG2 THR 58 3HG2 THR 58 -2.671 -10.933 -11.493 392 H GLY 59 H GLY 59 -6.711 -10.269 -9.390 393 1HA GLY 59 2HA GLY 59 -8.029 -7.746 -8.536 394 2HA GLY 59 1HA GLY 59 -8.478 -9.366 -8.000 395 H GLN 60 H GLN 60 -5.103 -8.778 -8.077 396 HA GLN 60 HA GLN 60 -5.007 -7.829 -5.283 397 1HB GLN 60 2HB GLN 60 -4.027 -10.553 -6.166 398 2HB GLN 60 1HB GLN 60 -3.503 -9.780 -4.669 399 1HG GLN 60 2HG GLN 60 -6.355 -10.476 -5.429 400 2HG GLN 60 1HG GLN 60 -5.380 -11.270 -4.193 401 1HE2 GLN 60 1HE2 GLN 60 -4.206 -8.518 -3.452 402 2HE2 GLN 60 2HE2 GLN 60 -5.421 -7.793 -2.513 403 H SER 61 H SER 61 -3.964 -7.321 -8.231 404 HA SER 61 HA SER 61 -1.185 -6.684 -7.328 405 1HB SER 61 2HB SER 61 -1.354 -8.639 -8.975 406 2HB SER 61 1HB SER 61 -1.888 -7.456 -10.165 407 HG SER 61 HG SER 61 0.594 -8.000 -9.299 408 H ALA 62 H ALA 62 -0.533 -4.602 -7.782 409 HA ALA 62 HA ALA 62 -2.510 -2.885 -9.213 410 1HB ALA 62 1HB ALA 62 -2.232 -1.619 -7.359 411 2HB ALA 62 2HB ALA 62 -0.651 -1.200 -8.018 412 3HB ALA 62 3HB ALA 62 -0.803 -2.525 -6.863 413 H ASP 63 H ASP 63 -0.176 -4.630 -10.270 414 HA ASP 63 HA ASP 63 1.111 -2.461 -11.881 415 1HB ASP 63 2HB ASP 63 2.475 -5.073 -11.522 416 2HB ASP 63 1HB ASP 63 3.175 -3.475 -11.736 417 H CYS 64 H CYS 64 2.228 -3.834 -13.887 418 HA CYS 64 HA CYS 64 0.247 -5.778 -14.916 419 1HB CYS 64 2HB CYS 64 -0.589 -3.592 -15.664 420 2HB CYS 64 1HB CYS 64 0.982 -3.223 -16.374 421 HA PRO 65 HA PRO 65 4.151 -7.378 -16.217 422 1HB PRO 65 2HB PRO 65 3.106 -9.805 -16.931 423 2HB PRO 65 1HB PRO 65 3.500 -9.374 -15.267 424 1HG PRO 65 2HG PRO 65 0.848 -9.644 -16.579 425 2HG PRO 65 1HG PRO 65 1.264 -9.755 -14.860 426 1HD PRO 65 2HD PRO 65 0.087 -7.528 -16.173 427 2HD PRO 65 1HD PRO 65 0.728 -7.563 -14.517 428 H ARG 66 H ARG 66 4.178 -9.262 -18.357 429 HA ARG 66 HA ARG 66 2.956 -7.785 -20.612 430 1HB ARG 66 2HB ARG 66 5.380 -8.731 -21.624 431 2HB ARG 66 1HB ARG 66 4.996 -7.053 -21.249 432 1HG ARG 66 2HG ARG 66 6.994 -7.500 -20.046 433 2HG ARG 66 1HG ARG 66 5.713 -7.605 -18.839 434 1HD ARG 66 2HD ARG 66 6.665 -9.616 -18.350 435 2HD ARG 66 1HD ARG 66 5.760 -10.174 -19.759 436 HE ARG 66 HE ARG 66 8.014 -9.402 -20.977 437 1HH1 ARG 66 1HH2 ARG 66 8.975 -9.502 -17.956 438 2HH1 ARG 66 2HH2 ARG 66 9.859 -10.990 -18.004 439 1HH2 ARG 66 1HH1 ARG 66 8.549 -11.976 -21.060 440 2HH2 ARG 66 2HH1 ARG 66 9.617 -12.391 -19.762 441 H TYR 67 H TYR 67 1.431 -9.631 -20.449 442 HA TYR 67 HA TYR 67 2.457 -12.286 -21.089 443 1HB TYR 67 2HB TYR 67 0.192 -11.348 -19.815 444 2HB TYR 67 1HB TYR 67 -0.412 -11.898 -21.375 445 HD1 TYR 67 HD1 TYR 67 2.449 -13.173 -19.340 446 HD2 TYR 67 HD2 TYR 67 -1.446 -13.973 -20.963 447 HE1 TYR 67 HE1 TYR 67 2.616 -15.527 -18.580 448 HE2 TYR 67 HE2 TYR 67 -1.279 -16.327 -20.205 449 HH TYR 67 HH TYR 67 1.697 -17.642 -18.941 450 H HIS 68 HN HIS 68 1.628 -9.525 -22.852 451 HA HIS 68 HA HIS 68 0.677 -10.997 -25.226 452 1HB HIS 68 2HB HIS 68 0.605 -8.721 -26.256 453 2HB HIS 68 1HB HIS 68 -0.327 -8.823 -24.763 454 HD1 HIS 68 HD1 HIS 68 0.206 -6.098 -24.891 455 HD2 HIS 68 HD2 HIS 68 3.363 -8.622 -23.875 456 HE1 HIS 68 HE1 HIS 68 1.965 -4.640 -23.797 Start of MODEL 8 1 1H GLY 1 1HT GLY 1 9.213 -7.238 -2.097 2 2H GLY 1 2HT GLY 1 9.775 -8.602 -2.942 3 3H GLY 1 3HT GLY 1 8.275 -7.909 -3.342 4 1HA GLY 1 1HA GLY 1 10.347 -7.420 -4.802 5 2HA GLY 1 2HA GLY 1 9.199 -6.134 -4.429 6 H LYS 2 H LYS 2 10.799 -4.480 -4.523 7 HA LYS 2 HA LYS 2 13.179 -4.673 -2.818 8 1HB LYS 2 2HB LYS 2 12.056 -2.390 -4.473 9 2HB LYS 2 1HB LYS 2 13.595 -2.336 -3.612 10 1HG LYS 2 2HG LYS 2 14.191 -4.484 -4.906 11 2HG LYS 2 1HG LYS 2 12.822 -4.089 -5.945 12 1HD LYS 2 2HD LYS 2 14.821 -3.148 -6.941 13 2HD LYS 2 1HD LYS 2 13.841 -1.821 -6.314 14 1HE LYS 2 2HE LYS 2 15.528 -1.173 -4.978 15 2HE LYS 2 1HE LYS 2 15.560 -2.764 -4.220 16 1HZ LYS 2 1HZ LYS 2 17.470 -1.672 -5.883 17 2HZ LYS 2 2HZ LYS 2 16.701 -2.872 -6.809 18 3HZ LYS 2 3HZ LYS 2 17.401 -3.268 -5.313 19 H GLU 3 H GLU 3 13.441 -2.255 -1.626 20 HA GLU 3 HA GLU 3 11.264 -2.323 0.393 21 1HB GLU 3 2HB GLU 3 14.112 -1.861 0.449 22 2HB GLU 3 1HB GLU 3 13.256 -0.521 1.210 23 1HG GLU 3 2HG GLU 3 12.324 -1.878 2.857 24 2HG GLU 3 1HG GLU 3 12.450 -3.334 1.869 25 H CYS 4 H CYS 4 10.007 -1.176 -1.518 26 HA CYS 4 HA CYS 4 9.739 1.601 -0.763 27 1HB CYS 4 2HB CYS 4 11.280 0.897 -3.195 28 2HB CYS 4 1HB CYS 4 10.142 2.227 -3.334 29 H ASP 5 H ASP 5 7.728 -0.095 -0.620 30 HA ASP 5 HA ASP 5 6.186 -0.918 -2.751 31 1HB ASP 5 2HB ASP 5 5.698 -0.566 -0.078 32 2HB ASP 5 1HB ASP 5 4.588 0.600 -0.802 33 H CYS 6 H CYS 6 6.700 2.410 -1.722 34 HA CYS 6 HA CYS 6 5.188 3.288 -4.151 35 1HB CYS 6 2HB CYS 6 4.417 5.217 -2.987 36 2HB CYS 6 1HB CYS 6 4.196 3.889 -1.852 37 H SER 7 H SER 7 6.024 5.630 -4.794 38 HA SER 7 HA SER 7 9.007 5.599 -4.555 39 1HB SER 7 2HB SER 7 9.222 6.144 -6.818 40 2HB SER 7 1HB SER 7 7.846 5.045 -6.843 41 HG SER 7 HG SER 7 6.600 7.112 -6.519 42 H SER 8 H SER 8 6.797 7.110 -3.045 43 HA SER 8 HA SER 8 8.094 9.763 -3.319 44 1HB SER 8 2HB SER 8 5.343 10.276 -2.874 45 2HB SER 8 1HB SER 8 6.305 10.714 -4.281 46 HG SER 8 HG SER 8 5.315 9.204 -5.343 47 HA PRO 9 HA PRO 9 7.826 9.320 1.085 48 1HB PRO 9 2HB PRO 9 8.913 11.769 1.697 49 2HB PRO 9 1HB PRO 9 9.873 10.375 1.171 50 1HG PRO 9 2HG PRO 9 9.143 12.829 -0.351 51 2HG PRO 9 1HG PRO 9 10.523 11.741 -0.570 52 1HD PRO 9 2HD PRO 9 8.161 11.786 -2.145 53 2HD PRO 9 1HD PRO 9 9.419 10.530 -2.169 54 H GLU 10 H GLU 10 6.497 12.112 -0.633 55 HA GLU 10 HA GLU 10 4.984 13.069 1.679 56 1HB GLU 10 2HB GLU 10 4.047 14.695 0.156 57 2HB GLU 10 1HB GLU 10 5.764 14.545 -0.222 58 1HG GLU 10 2HG GLU 10 5.281 13.901 -2.322 59 2HG GLU 10 1HG GLU 10 4.292 12.574 -1.717 60 H ASN 11 H ASN 11 4.531 10.761 -0.852 61 HA ASN 11 HA ASN 11 1.691 10.682 -0.972 62 1HB ASN 11 2HB ASN 11 3.352 9.508 -2.502 63 2HB ASN 11 1HB ASN 11 3.556 8.310 -1.226 64 1HD2 ASN 11 1HD2 ASN 11 2.630 6.992 -3.240 65 2HD2 ASN 11 2HD2 ASN 11 0.943 6.807 -3.266 66 HA PRO 12 HA PRO 12 1.128 9.110 3.189 67 1HB PRO 12 2HB PRO 12 -1.626 9.105 3.080 68 2HB PRO 12 1HB PRO 12 -0.661 10.552 3.416 69 1HG PRO 12 2HG PRO 12 -2.077 9.778 0.902 70 2HG PRO 12 1HG PRO 12 -1.711 11.393 1.532 71 1HD PRO 12 2HD PRO 12 -0.294 10.103 -0.522 72 2HD PRO 12 1HD PRO 12 0.298 11.490 0.416 73 H CYS 13 H CYS 13 -0.438 7.897 0.275 74 HA CYS 13 HA CYS 13 -1.512 5.441 0.997 75 1HB CYS 13 2HB CYS 13 -0.743 6.620 -1.372 76 2HB CYS 13 1HB CYS 13 0.304 5.213 -1.265 77 H CYS 14 H CYS 14 1.866 6.367 1.048 78 HA CYS 14 HA CYS 14 2.407 3.628 2.093 79 1HB CYS 14 2HB CYS 14 4.457 3.541 0.864 80 2HB CYS 14 1HB CYS 14 3.225 4.084 -0.272 81 H ASP 15 H ASP 15 3.825 3.416 3.737 82 HA ASP 15 HA ASP 15 4.315 5.660 5.475 83 1HB ASP 15 2HB ASP 15 4.249 2.938 5.771 84 2HB ASP 15 1HB ASP 15 5.975 3.262 5.784 85 H ALA 16 H ALA 16 5.715 7.215 4.718 86 HA ALA 16 HA ALA 16 7.882 6.706 2.919 87 1HB ALA 16 1HB ALA 16 7.825 9.071 4.776 88 2HB ALA 16 2HB ALA 16 6.640 8.935 3.476 89 3HB ALA 16 3HB ALA 16 8.362 8.994 3.098 90 H ALA 17 H ALA 17 7.589 6.500 6.373 91 HA ALA 17 HA ALA 17 10.308 6.867 7.120 92 1HB ALA 17 1HB ALA 17 8.692 4.756 8.486 93 2HB ALA 17 2HB ALA 17 8.090 6.413 8.534 94 3HB ALA 17 3HB ALA 17 9.685 6.035 9.184 95 H THR 18 H THR 18 8.869 4.426 5.206 96 HA THR 18 HA THR 18 11.424 2.909 5.287 97 HB THR 18 HB THR 18 10.223 1.488 6.684 98 HG1 THR 18 HG1 THR 18 10.478 -0.087 5.344 99 1HG2 THR 18 1HG2 THR 18 8.115 2.368 6.956 100 2HG2 THR 18 2HG2 THR 18 7.704 1.002 5.919 101 3HG2 THR 18 3HG2 THR 18 7.881 2.613 5.226 102 H CYS 19 H CYS 19 9.202 4.499 3.409 103 HA CYS 19 HA CYS 19 9.022 4.581 1.044 104 1HB CYS 19 2HB CYS 19 11.487 3.529 1.376 105 2HB CYS 19 1HB CYS 19 10.672 2.173 0.646 106 H LYS 20 H LYS 20 7.986 2.183 3.046 107 HA LYS 20 HA LYS 20 6.843 0.540 0.837 108 1HB LYS 20 2HB LYS 20 7.650 0.026 3.588 109 2HB LYS 20 1HB LYS 20 6.024 -0.573 3.248 110 1HG LYS 20 2HG LYS 20 6.864 -1.787 1.291 111 2HG LYS 20 1HG LYS 20 8.485 -1.156 1.580 112 1HD LYS 20 2HD LYS 20 8.050 -2.209 4.000 113 2HD LYS 20 1HD LYS 20 6.975 -3.255 3.070 114 1HE LYS 20 2HE LYS 20 9.852 -2.739 2.285 115 2HE LYS 20 1HE LYS 20 9.363 -4.095 3.301 116 1HZ LYS 20 1HZ LYS 20 9.268 -3.905 0.515 117 2HZ LYS 20 2HZ LYS 20 7.667 -3.992 1.076 118 3HZ LYS 20 3HZ LYS 20 8.783 -5.202 1.494 119 H LEU 21 H LEU 21 4.469 -0.158 1.256 120 HA LEU 21 HA LEU 21 3.067 2.091 2.530 121 1HB LEU 21 2HB LEU 21 1.819 2.701 0.719 122 2HB LEU 21 1HB LEU 21 3.312 2.251 -0.048 123 HG LEU 21 HG LEU 21 2.013 1.072 -1.430 124 1HD1 LEU 21 1HD1 LEU 21 2.872 -0.637 0.459 125 2HD1 LEU 21 2HD1 LEU 21 1.946 -1.136 -0.955 126 3HD1 LEU 21 3HD1 LEU 21 1.133 -0.880 0.585 127 1HD2 LEU 21 1HD2 LEU 21 0.074 2.256 -0.063 128 2HD2 LEU 21 2HD2 LEU 21 -0.245 0.593 0.425 129 3HD2 LEU 21 3HD2 LEU 21 -0.254 1.026 -1.276 130 H ARG 22 H ARG 22 0.546 1.460 1.895 131 HA ARG 22 HA ARG 22 -1.171 -0.109 2.238 132 1HB ARG 22 2HB ARG 22 0.667 -1.930 1.990 133 2HB ARG 22 1HB ARG 22 0.711 -1.904 3.750 134 1HG ARG 22 2HG ARG 22 -0.884 -3.564 3.315 135 2HG ARG 22 1HG ARG 22 -1.887 -2.134 3.567 136 1HD ARG 22 2HD ARG 22 -2.796 -2.694 1.557 137 2HD ARG 22 1HD ARG 22 -1.347 -1.943 0.890 138 HE ARG 22 HE ARG 22 -0.669 -4.084 0.196 139 1HH1 ARG 22 1HH2 ARG 22 -3.676 -4.543 1.418 140 2HH1 ARG 22 2HH2 ARG 22 -3.418 -6.144 2.028 141 1HH2 ARG 22 1HH1 ARG 22 0.019 -6.043 1.585 142 2HH2 ARG 22 2HH1 ARG 22 -1.326 -6.992 2.124 143 HA PRO 23 HA PRO 23 -0.610 1.234 6.704 144 1HB PRO 23 2HB PRO 23 -0.901 3.963 6.677 145 2HB PRO 23 1HB PRO 23 0.681 3.162 6.668 146 1HG PRO 23 2HG PRO 23 -0.765 4.488 4.420 147 2HG PRO 23 1HG PRO 23 0.977 4.270 4.662 148 1HD PRO 23 2HD PRO 23 -0.648 2.728 2.941 149 2HD PRO 23 1HD PRO 23 0.996 2.323 3.483 150 H GLY 24 H GLY 24 -2.533 1.532 4.142 151 1HA GLY 24 2HA GLY 24 -5.013 1.220 5.441 152 2HA GLY 24 1HA GLY 24 -4.852 2.920 4.993 153 H ALA 25 H ALA 25 -3.173 2.236 2.602 154 HA ALA 25 HA ALA 25 -5.411 1.558 0.817 155 1HB ALA 25 1HB ALA 25 -4.028 2.470 -0.943 156 2HB ALA 25 2HB ALA 25 -2.621 2.484 0.118 157 3HB ALA 25 3HB ALA 25 -3.970 3.577 0.429 158 H GLN 26 H GLN 26 -4.217 0.482 -1.350 159 HA GLN 26 HA GLN 26 -3.001 -2.045 -0.323 160 1HB GLN 26 2HB GLN 26 -5.307 -1.588 -1.961 161 2HB GLN 26 1HB GLN 26 -4.097 -2.447 -2.910 162 1HG GLN 26 2HG GLN 26 -5.079 -4.254 -1.871 163 2HG GLN 26 1HG GLN 26 -3.880 -3.848 -0.643 164 1HE2 GLN 26 1HE2 GLN 26 -6.636 -5.064 -0.297 165 2HE2 GLN 26 2HE2 GLN 26 -7.439 -4.027 0.780 166 H CYS 27 H CYS 27 -2.500 0.725 -2.195 167 HA CYS 27 HA CYS 27 0.105 -0.178 -3.029 168 1HB CYS 27 2HB CYS 27 -0.408 -1.021 -5.064 169 2HB CYS 27 1HB CYS 27 -2.098 -0.605 -4.839 170 H GLY 28 H GLY 28 1.406 1.576 -3.765 171 1HA GLY 28 2HA GLY 28 0.200 4.228 -3.155 172 2HA GLY 28 1HA GLY 28 1.921 3.856 -3.070 173 H GLU 29 H GLU 29 1.214 2.307 -5.766 174 HA GLU 29 HA GLU 29 0.607 4.298 -7.707 175 1HB GLU 29 2HB GLU 29 2.799 4.917 -8.520 176 2HB GLU 29 1HB GLU 29 2.744 5.263 -6.790 177 1HG GLU 29 2HG GLU 29 4.697 4.085 -6.760 178 2HG GLU 29 1HG GLU 29 3.614 2.693 -6.735 179 H GLY 30 H GLY 30 -0.038 3.088 -9.389 180 1HA GLY 30 2HA GLY 30 1.611 0.999 -10.534 181 2HA GLY 30 1HA GLY 30 0.163 0.360 -9.752 182 H LEU 31 H LEU 31 -0.087 -0.166 -12.345 183 HA LEU 31 HA LEU 31 -1.240 2.228 -13.645 184 1HB LEU 31 2HB LEU 31 0.102 -0.147 -14.539 185 2HB LEU 31 1HB LEU 31 -1.425 0.029 -15.371 186 HG LEU 31 HG LEU 31 0.802 2.036 -15.177 187 1HD1 LEU 31 1HD1 LEU 31 0.278 -0.035 -16.993 188 2HD1 LEU 31 2HD1 LEU 31 1.403 1.304 -17.224 189 3HD1 LEU 31 3HD1 LEU 31 -0.254 1.431 -17.815 190 1HD2 LEU 31 1HD2 LEU 31 -2.072 2.306 -16.004 191 2HD2 LEU 31 2HD2 LEU 31 -0.847 3.271 -16.829 192 3HD2 LEU 31 3HD2 LEU 31 -1.070 3.430 -15.087 193 H CYS 32 H CYS 32 -2.121 -0.469 -11.814 194 HA CYS 32 HA CYS 32 -4.977 -0.054 -12.494 195 1HB CYS 32 2HB CYS 32 -5.192 -2.489 -11.477 196 2HB CYS 32 1HB CYS 32 -4.869 -2.256 -13.191 197 H CYS 33 H CYS 33 -4.018 1.600 -10.732 198 HA CYS 33 HA CYS 33 -4.725 0.429 -8.074 199 1HB CYS 33 2HB CYS 33 -2.579 2.375 -8.876 200 2HB CYS 33 1HB CYS 33 -3.246 2.430 -7.247 201 H GLU 34 H GLU 34 -6.885 1.103 -8.003 202 HA GLU 34 HA GLU 34 -7.877 3.608 -8.922 203 1HB GLU 34 2HB GLU 34 -9.087 1.429 -8.008 204 2HB GLU 34 1HB GLU 34 -9.055 2.338 -6.504 205 1HG GLU 34 2HG GLU 34 -10.830 3.530 -7.203 206 2HG GLU 34 1HG GLU 34 -9.858 4.145 -8.542 207 H GLN 35 H GLN 35 -9.097 4.773 -6.615 208 HA GLN 35 HA GLN 35 -7.035 6.500 -5.717 209 1HB GLN 35 2HB GLN 35 -9.811 6.292 -5.335 210 2HB GLN 35 1HB GLN 35 -9.122 6.178 -3.715 211 1HG GLN 35 2HG GLN 35 -8.968 8.433 -3.767 212 2HG GLN 35 1HG GLN 35 -7.642 8.207 -4.910 213 1HE2 GLN 35 1HE2 GLN 35 -9.097 10.528 -5.241 214 2HE2 GLN 35 2HE2 GLN 35 -10.112 10.412 -6.597 215 H CYS 36 H CYS 36 -5.258 5.222 -5.051 216 HA CYS 36 HA CYS 36 -4.003 3.826 -3.649 217 1HB CYS 36 2HB CYS 36 -5.733 5.464 -1.839 218 2HB CYS 36 1HB CYS 36 -4.783 4.164 -1.146 219 H LYS 37 H LYS 37 -5.764 2.291 -4.941 220 HA LYS 37 HA LYS 37 -6.437 0.249 -2.931 221 1HB LYS 37 2HB LYS 37 -8.501 1.673 -4.613 222 2HB LYS 37 1HB LYS 37 -8.770 0.028 -4.037 223 1HG LYS 37 2HG LYS 37 -8.031 1.076 -1.714 224 2HG LYS 37 1HG LYS 37 -8.567 2.575 -2.475 225 1HD LYS 37 2HD LYS 37 -10.763 1.953 -2.457 226 2HD LYS 37 1HD LYS 37 -10.392 0.264 -2.801 227 1HE LYS 37 2HE LYS 37 -9.418 0.248 -0.374 228 2HE LYS 37 1HE LYS 37 -10.406 1.693 -0.153 229 1HZ LYS 37 1HZ LYS 37 -12.311 0.373 -1.014 230 2HZ LYS 37 2HZ LYS 37 -11.700 -0.181 0.472 231 3HZ LYS 37 3HZ LYS 37 -11.327 -1.008 -0.965 232 H PHE 38 H PHE 38 -6.896 -1.844 -3.982 233 HA PHE 38 HA PHE 38 -5.339 -2.158 -6.440 234 1HB PHE 38 2HB PHE 38 -6.733 -4.012 -4.538 235 2HB PHE 38 1HB PHE 38 -6.254 -4.604 -6.123 236 HD1 PHE 38 HD1 PHE 38 -5.057 -5.986 -3.983 237 HD2 PHE 38 HD2 PHE 38 -3.869 -2.190 -5.618 238 HE1 PHE 38 HE1 PHE 38 -2.749 -6.348 -3.164 239 HE2 PHE 38 HE2 PHE 38 -1.568 -2.560 -4.801 240 HZ PHE 38 HZ PHE 38 -1.004 -4.635 -3.573 241 H SER 39 H SER 39 -6.203 -1.864 -8.397 242 HA SER 39 HA SER 39 -8.907 -1.392 -8.986 243 1HB SER 39 2HB SER 39 -8.267 -1.417 -11.218 244 2HB SER 39 1HB SER 39 -6.684 -1.253 -10.461 245 HG SER 39 HG SER 39 -7.853 -3.412 -11.755 246 H ARG 40 H ARG 40 -9.992 -3.061 -10.742 247 HA ARG 40 HA ARG 40 -10.325 -5.546 -9.195 248 1HB ARG 40 2HB ARG 40 -12.012 -4.019 -11.103 249 2HB ARG 40 1HB ARG 40 -12.279 -5.753 -10.977 250 1HG ARG 40 2HG ARG 40 -12.881 -5.619 -8.708 251 2HG ARG 40 1HG ARG 40 -12.120 -4.041 -8.505 252 1HD ARG 40 2HD ARG 40 -13.876 -3.277 -10.307 253 2HD ARG 40 1HD ARG 40 -14.747 -4.720 -9.791 254 HE ARG 40 HE ARG 40 -13.924 -3.139 -7.515 255 1HH1 ARG 40 1HH2 ARG 40 -15.606 -2.000 -10.126 256 2HH1 ARG 40 2HH2 ARG 40 -17.103 -1.736 -9.298 257 1HH2 ARG 40 1HH1 ARG 40 -16.113 -3.394 -6.419 258 2HH2 ARG 40 2HH1 ARG 40 -17.391 -2.526 -7.201 259 H ALA 41 H ALA 41 -9.715 -7.522 -10.055 260 HA ALA 41 HA ALA 41 -7.820 -7.825 -12.037 261 1HB ALA 41 1HB ALA 41 -9.488 -9.563 -10.555 262 2HB ALA 41 2HB ALA 41 -8.071 -10.002 -11.509 263 3HB ALA 41 3HB ALA 41 -9.673 -10.031 -12.246 264 H GLY 42 H GLY 42 -8.143 -8.866 -14.273 265 1HA GLY 42 2HA GLY 42 -9.055 -8.742 -16.432 266 2HA GLY 42 1HA GLY 42 -10.613 -8.424 -15.672 267 H LYS 43 H LYS 43 -8.078 -6.368 -14.639 268 HA LYS 43 HA LYS 43 -9.380 -4.067 -15.897 269 1HB LYS 43 2HB LYS 43 -8.678 -3.558 -13.721 270 2HB LYS 43 1HB LYS 43 -7.171 -4.453 -13.896 271 1HG LYS 43 2HG LYS 43 -6.625 -2.098 -13.926 272 2HG LYS 43 1HG LYS 43 -6.423 -2.703 -15.565 273 1HD LYS 43 2HD LYS 43 -8.552 -1.800 -16.244 274 2HD LYS 43 1HD LYS 43 -8.963 -1.384 -14.580 275 1HE LYS 43 2HE LYS 43 -7.879 0.581 -14.740 276 2HE LYS 43 1HE LYS 43 -6.413 -0.226 -15.296 277 1HZ LYS 43 1HZ LYS 43 -6.832 0.781 -17.226 278 2HZ LYS 43 2HZ LYS 43 -8.439 1.142 -16.809 279 3HZ LYS 43 3HZ LYS 43 -8.046 -0.384 -17.444 280 H ILE 44 H ILE 44 -8.685 -3.132 -17.808 281 HA ILE 44 HA ILE 44 -6.409 -4.350 -19.164 282 HB ILE 44 HB ILE 44 -8.597 -2.527 -19.882 283 1HG1 ILE 44 2HG1 ILE 44 -8.539 -4.885 -20.531 284 2HG1 ILE 44 1HG1 ILE 44 -8.438 -3.868 -21.971 285 1HG2 ILE 44 1HG2 ILE 44 -7.189 -1.955 -22.029 286 2HG2 ILE 44 2HG2 ILE 44 -5.813 -2.180 -20.949 287 3HG2 ILE 44 3HG2 ILE 44 -7.023 -0.947 -20.591 288 1HD1 ILE 44 1HD1 ILE 44 -6.577 -5.036 -22.495 289 2HD1 ILE 44 2HD1 ILE 44 -6.467 -5.733 -20.879 290 3HD1 ILE 44 3HD1 ILE 44 -5.787 -4.138 -21.199 291 H CYS 45 H CYS 45 -4.455 -3.833 -18.338 292 HA CYS 45 HA CYS 45 -3.882 -1.040 -17.540 293 1HB CYS 45 2HB CYS 45 -2.768 -3.666 -16.921 294 2HB CYS 45 1HB CYS 45 -1.546 -2.456 -17.244 295 H ARG 46 H ARG 46 -3.543 -3.143 -20.207 296 HA ARG 46 HA ARG 46 -1.878 -1.112 -21.577 297 1HB ARG 46 2HB ARG 46 -0.845 -3.599 -20.649 298 2HB ARG 46 1HB ARG 46 -0.949 -3.689 -22.408 299 1HG ARG 46 2HG ARG 46 0.463 -1.834 -22.714 300 2HG ARG 46 1HG ARG 46 0.206 -1.252 -21.069 301 1HD ARG 46 2HD ARG 46 1.314 -3.486 -20.339 302 2HD ARG 46 1HD ARG 46 1.899 -3.563 -22.001 303 HE ARG 46 HE ARG 46 2.840 -1.725 -19.937 304 1HH1 ARG 46 1HH1 ARG 46 2.217 -2.109 -23.306 305 2HH1 ARG 46 2HH1 ARG 46 3.562 -1.139 -23.800 306 1HH2 ARG 46 1HH2 ARG 46 4.675 -0.555 -20.570 307 2HH2 ARG 46 2HH2 ARG 46 4.955 -0.263 -22.255 308 H ILE 47 H ILE 47 -1.737 -1.695 -24.003 309 HA ILE 47 HA ILE 47 -4.262 -3.051 -24.859 310 HB ILE 47 HB ILE 47 -4.440 -0.567 -25.016 311 1HG1 ILE 47 2HG1 ILE 47 -4.905 -0.557 -27.556 312 2HG1 ILE 47 1HG1 ILE 47 -4.367 -2.237 -27.535 313 1HG2 ILE 47 1HG2 ILE 47 -1.781 -0.891 -26.056 314 2HG2 ILE 47 2HG2 ILE 47 -2.638 0.605 -25.685 315 3HG2 ILE 47 3HG2 ILE 47 -2.784 -0.121 -27.286 316 1HD1 ILE 47 1HD1 ILE 47 -6.453 -2.812 -26.912 317 2HD1 ILE 47 2HD1 ILE 47 -6.907 -1.123 -26.684 318 3HD1 ILE 47 3HD1 ILE 47 -6.141 -2.015 -25.370 319 H ALA 48 H ALA 48 -4.105 -4.214 -26.828 320 HA ALA 48 HA ALA 48 -1.331 -4.679 -27.768 321 1HB ALA 48 1HB ALA 48 -2.275 -6.676 -26.803 322 2HB ALA 48 2HB ALA 48 -2.235 -6.892 -28.552 323 3HB ALA 48 3HB ALA 48 -3.751 -6.485 -27.748 324 H LYS 49 H LYS 49 -0.860 -4.142 -29.855 325 HA LYS 49 HA LYS 49 -3.164 -3.785 -31.724 326 1HB LYS 49 2HB LYS 49 -2.125 -1.873 -32.686 327 2HB LYS 49 1HB LYS 49 -2.240 -1.601 -30.952 328 1HG LYS 49 2HG LYS 49 0.043 -1.806 -30.627 329 2HG LYS 49 1HG LYS 49 0.253 -2.874 -32.015 330 1HD LYS 49 2HD LYS 49 -0.723 -0.370 -32.980 331 2HD LYS 49 1HD LYS 49 0.629 -0.044 -31.896 332 1HE LYS 49 2HE LYS 49 1.515 -2.227 -33.353 333 2HE LYS 49 1HE LYS 49 0.631 -1.283 -34.551 334 1HZ LYS 49 1HZ LYS 49 2.360 0.224 -32.771 335 2HZ LYS 49 2HZ LYS 49 2.093 0.402 -34.440 336 3HZ LYS 49 3HZ LYS 49 3.153 -0.797 -33.870 337 H GLY 50 H GLY 50 -0.431 -5.499 -31.107 338 1HA GLY 50 2HA GLY 50 -0.014 -6.105 -33.987 339 2HA GLY 50 1HA GLY 50 1.319 -6.145 -32.824 340 H ASP 51 H ASP 51 1.259 -7.760 -31.179 341 HA ASP 51 HA ASP 51 0.006 -10.274 -31.846 342 1HB ASP 51 2HB ASP 51 1.745 -9.192 -29.757 343 2HB ASP 51 1HB ASP 51 0.584 -10.359 -29.146 344 H TRP 52 H TRP 52 -1.578 -11.184 -29.871 345 HA TRP 52 HA TRP 52 -3.016 -8.880 -28.780 346 1HB TRP 52 2HB TRP 52 -4.217 -10.703 -30.831 347 2HB TRP 52 1HB TRP 52 -5.216 -9.760 -29.707 348 HD1 TRP 52 HD1 TRP 52 -4.254 -7.064 -29.485 349 HE1 TRP 52 HE1 TRP 52 -3.720 -5.477 -31.410 350 HE3 TRP 52 HE3 TRP 52 -3.451 -10.448 -33.211 351 HZ2 TRP 52 HZ2 TRP 52 -2.999 -5.591 -34.127 352 HZ3 TRP 52 HZ3 TRP 52 -2.777 -9.658 -35.462 353 HH2 TRP 52 HH2 TRP 52 -2.557 -7.230 -35.931 354 H ASN 53 H ASN 53 -3.078 -9.240 -26.826 355 HA ASN 53 HA ASN 53 -4.646 -11.171 -25.490 356 1HB ASN 53 2HB ASN 53 -2.017 -12.115 -26.206 357 2HB ASN 53 1HB ASN 53 -2.073 -11.877 -24.458 358 1HD2 ASN 53 1HD2 ASN 53 -2.312 -14.064 -23.779 359 2HD2 ASN 53 2HD2 ASN 53 -3.628 -15.041 -24.225 360 H ASP 54 H ASP 54 -5.018 -8.824 -24.978 361 HA ASP 54 HA ASP 54 -3.156 -7.138 -23.736 362 1HB ASP 54 2HB ASP 54 -5.979 -7.185 -24.160 363 2HB ASP 54 1HB ASP 54 -5.667 -6.684 -22.500 364 H ASP 55 H ASP 55 -2.470 -6.833 -21.661 365 HA ASP 55 HA ASP 55 -2.790 -9.092 -19.815 366 1HB ASP 55 2HB ASP 55 -0.847 -7.049 -20.273 367 2HB ASP 55 1HB ASP 55 -1.378 -6.949 -18.596 368 H ARG 56 H ARG 56 -4.463 -9.136 -18.396 369 HA ARG 56 HA ARG 56 -5.691 -6.548 -17.609 370 1HB ARG 56 2HB ARG 56 -6.824 -9.276 -17.121 371 2HB ARG 56 1HB ARG 56 -7.674 -7.737 -17.114 372 1HG ARG 56 2HG ARG 56 -6.405 -7.969 -19.644 373 2HG ARG 56 1HG ARG 56 -7.213 -9.507 -19.329 374 1HD ARG 56 2HD ARG 56 -9.317 -8.378 -18.897 375 2HD ARG 56 1HD ARG 56 -8.541 -6.801 -19.020 376 HE ARG 56 HE ARG 56 -8.793 -6.975 -21.349 377 1HH1 ARG 56 1HH1 ARG 56 -10.743 -9.292 -20.752 378 2HH1 ARG 56 2HH1 ARG 56 -10.133 -10.500 -21.835 379 1HH2 ARG 56 1HH2 ARG 56 -7.119 -8.877 -22.374 380 2HH2 ARG 56 2HH2 ARG 56 -8.084 -10.265 -22.752 381 H CYS 57 H CYS 57 -4.959 -5.777 -15.659 382 HA CYS 57 HA CYS 57 -3.372 -7.084 -13.811 383 1HB CYS 57 2HB CYS 57 -5.409 -4.898 -13.469 384 2HB CYS 57 1HB CYS 57 -4.608 -5.581 -12.052 385 H THR 58 H THR 58 -3.814 -8.138 -11.799 386 HA THR 58 HA THR 58 -6.201 -9.877 -11.944 387 HB THR 58 HB THR 58 -4.997 -11.387 -10.639 388 HG1 THR 58 HG1 THR 58 -3.691 -9.089 -9.631 389 1HG2 THR 58 1HG2 THR 58 -3.027 -11.650 -11.789 390 2HG2 THR 58 2HG2 THR 58 -2.521 -9.984 -11.506 391 3HG2 THR 58 3HG2 THR 58 -3.696 -10.347 -12.770 392 H GLY 59 H GLY 59 -6.803 -10.459 -9.377 393 1HA GLY 59 2HA GLY 59 -7.989 -7.938 -8.433 394 2HA GLY 59 1HA GLY 59 -8.331 -9.545 -7.795 395 H GLN 60 H GLN 60 -5.083 -9.514 -7.878 396 HA GLN 60 HA GLN 60 -4.850 -8.214 -5.195 397 1HB GLN 60 2HB GLN 60 -3.418 -10.730 -6.101 398 2HB GLN 60 1HB GLN 60 -3.357 -10.000 -4.496 399 1HG GLN 60 2HG GLN 60 -5.682 -10.479 -4.102 400 2HG GLN 60 1HG GLN 60 -5.922 -10.970 -5.779 401 1HE2 GLN 60 1HE2 GLN 60 -2.965 -11.905 -4.107 402 2HE2 GLN 60 2HE2 GLN 60 -3.352 -13.550 -3.952 403 H SER 61 H SER 61 -4.088 -7.525 -8.155 404 HA SER 61 HA SER 61 -1.213 -6.936 -7.567 405 1HB SER 61 2HB SER 61 -1.367 -8.385 -9.493 406 2HB SER 61 1HB SER 61 -2.620 -7.380 -10.213 407 HG SER 61 HG SER 61 -1.093 -5.715 -10.392 408 H ALA 62 H ALA 62 -0.432 -4.888 -8.622 409 HA ALA 62 HA ALA 62 -2.584 -2.818 -8.880 410 1HB ALA 62 1HB ALA 62 -0.432 -1.511 -7.685 411 2HB ALA 62 2HB ALA 62 -0.520 -3.043 -6.816 412 3HB ALA 62 3HB ALA 62 -1.930 -1.985 -6.883 413 H ASP 63 H ASP 63 0.739 -3.859 -9.616 414 HA ASP 63 HA ASP 63 0.960 -1.620 -11.554 415 1HB ASP 63 2HB ASP 63 2.907 -3.878 -11.178 416 2HB ASP 63 1HB ASP 63 3.185 -2.328 -11.968 417 H CYS 64 H CYS 64 2.089 -2.768 -13.751 418 HA CYS 64 HA CYS 64 0.391 -5.089 -14.455 419 1HB CYS 64 2HB CYS 64 0.322 -2.752 -16.324 420 2HB CYS 64 1HB CYS 64 -0.876 -4.024 -16.080 421 HA PRO 65 HA PRO 65 4.035 -6.035 -16.652 422 1HB PRO 65 2HB PRO 65 3.046 -8.312 -17.803 423 2HB PRO 65 1HB PRO 65 3.594 -8.235 -16.130 424 1HG PRO 65 2HG PRO 65 0.829 -8.388 -17.213 425 2HG PRO 65 1HG PRO 65 1.440 -8.874 -15.623 426 1HD PRO 65 2HD PRO 65 0.009 -6.502 -16.213 427 2HD PRO 65 1HD PRO 65 0.868 -6.870 -14.700 428 H ARG 66 H ARG 66 4.087 -7.249 -19.153 429 HA ARG 66 HA ARG 66 2.362 -5.620 -20.908 430 1HB ARG 66 2HB ARG 66 4.358 -5.012 -22.297 431 2HB ARG 66 1HB ARG 66 4.382 -4.285 -20.689 432 1HG ARG 66 2HG ARG 66 6.229 -5.443 -20.073 433 2HG ARG 66 1HG ARG 66 5.627 -6.943 -20.778 434 1HD ARG 66 2HD ARG 66 6.245 -6.093 -23.037 435 2HD ARG 66 1HD ARG 66 6.926 -4.652 -22.283 436 HE ARG 66 HE ARG 66 8.088 -7.001 -21.108 437 1HH1 ARG 66 1HH2 ARG 66 8.635 -4.393 -23.143 438 2HH1 ARG 66 2HH2 ARG 66 9.972 -5.102 -23.987 439 1HH2 ARG 66 1HH1 ARG 66 9.562 -8.233 -22.556 440 2HH2 ARG 66 2HH1 ARG 66 10.499 -7.273 -23.653 441 H TYR 67 H TYR 67 3.068 -6.324 -23.340 442 HA TYR 67 HA TYR 67 4.037 -8.977 -23.731 443 1HB TYR 67 2HB TYR 67 1.396 -8.862 -22.710 444 2HB TYR 67 1HB TYR 67 1.276 -9.319 -24.408 445 HD1 TYR 67 HD1 TYR 67 1.241 -10.785 -21.392 446 HD2 TYR 67 HD2 TYR 67 3.638 -10.865 -24.955 447 HE1 TYR 67 HE1 TYR 67 1.996 -13.079 -20.832 448 HE2 TYR 67 HE2 TYR 67 4.394 -13.159 -24.395 449 HH TYR 67 HH TYR 67 2.974 -14.965 -21.744 450 H HIS 68 HN HIS 68 1.322 -7.017 -25.019 451 HA HIS 68 HA HIS 68 2.786 -6.987 -27.630 452 1HB HIS 68 2HB HIS 68 -0.143 -6.712 -27.807 453 2HB HIS 68 1HB HIS 68 0.955 -7.692 -28.777 454 HD1 HIS 68 HD1 HIS 68 1.809 -9.976 -27.561 455 HD2 HIS 68 HD2 HIS 68 -1.577 -8.174 -25.926 456 HE1 HIS 68 HE1 HIS 68 0.687 -11.732 -26.120 Start of MODEL 9 1 1H GLY 1 1HT GLY 1 11.899 -8.842 -3.943 2 2H GLY 1 2HT GLY 1 11.450 -8.363 -2.375 3 3H GLY 1 3HT GLY 1 12.881 -9.248 -2.622 4 1HA GLY 1 1HA GLY 1 13.511 -7.001 -2.268 5 2HA GLY 1 2HA GLY 1 13.740 -7.368 -3.977 6 H LYS 2 H LYS 2 13.438 -5.149 -4.576 7 HA LYS 2 HA LYS 2 12.155 -3.321 -5.295 8 1HB LYS 2 2HB LYS 2 10.016 -5.436 -4.972 9 2HB LYS 2 1HB LYS 2 9.649 -3.807 -5.540 10 1HG LYS 2 2HG LYS 2 11.246 -4.079 -7.394 11 2HG LYS 2 1HG LYS 2 11.644 -5.700 -6.821 12 1HD LYS 2 2HD LYS 2 9.012 -6.033 -6.981 13 2HD LYS 2 1HD LYS 2 9.148 -4.720 -8.150 14 1HE LYS 2 2HE LYS 2 10.058 -6.083 -9.699 15 2HE LYS 2 1HE LYS 2 11.231 -6.716 -8.544 16 1HZ LYS 2 1HZ LYS 2 9.205 -8.134 -9.579 17 2HZ LYS 2 2HZ LYS 2 8.512 -7.602 -8.121 18 3HZ LYS 2 3HZ LYS 2 9.961 -8.489 -8.101 19 H GLU 3 H GLU 3 12.702 -2.141 -3.349 20 HA GLU 3 HA GLU 3 10.561 -2.139 -1.267 21 1HB GLU 3 2HB GLU 3 13.369 -2.202 -1.048 22 2HB GLU 3 1HB GLU 3 12.877 -0.581 -0.561 23 1HG GLU 3 2HG GLU 3 11.298 -2.895 0.481 24 2HG GLU 3 1HG GLU 3 12.886 -2.587 1.187 25 H CYS 4 H CYS 4 9.249 -0.804 -2.766 26 HA CYS 4 HA CYS 4 9.421 2.001 -2.175 27 1HB CYS 4 2HB CYS 4 10.679 1.030 -4.685 28 2HB CYS 4 1HB CYS 4 9.659 2.447 -4.827 29 H ASP 5 H ASP 5 7.254 0.609 -1.773 30 HA ASP 5 HA ASP 5 5.463 -0.191 -3.700 31 1HB ASP 5 2HB ASP 5 5.068 0.068 -1.166 32 2HB ASP 5 1HB ASP 5 4.562 1.717 -1.539 33 H CYS 6 H CYS 6 6.398 3.132 -2.986 34 HA CYS 6 HA CYS 6 5.008 3.953 -5.497 35 1HB CYS 6 2HB CYS 6 5.106 5.564 -2.927 36 2HB CYS 6 1HB CYS 6 4.345 6.063 -4.438 37 H SER 7 H SER 7 5.956 6.015 -6.381 38 HA SER 7 HA SER 7 8.874 6.139 -5.747 39 1HB SER 7 2HB SER 7 7.475 5.842 -8.216 40 2HB SER 7 1HB SER 7 8.300 7.397 -8.233 41 HG SER 7 HG SER 7 9.332 4.974 -8.548 42 H SER 8 H SER 8 6.148 7.739 -5.033 43 HA SER 8 HA SER 8 7.368 10.436 -5.401 44 1HB SER 8 2HB SER 8 4.763 10.819 -4.517 45 2HB SER 8 1HB SER 8 5.309 10.925 -6.188 46 HG SER 8 HG SER 8 3.593 9.438 -5.951 47 HA PRO 9 HA PRO 9 7.963 10.171 -0.981 48 1HB PRO 9 2HB PRO 9 9.293 12.567 -0.768 49 2HB PRO 9 1HB PRO 9 10.060 11.069 -1.324 50 1HG PRO 9 2HG PRO 9 9.227 13.451 -2.911 51 2HG PRO 9 1HG PRO 9 10.491 12.259 -3.257 52 1HD PRO 9 2HD PRO 9 7.916 12.341 -4.437 53 2HD PRO 9 1HD PRO 9 9.070 10.993 -4.530 54 H GLU 10 H GLU 10 5.806 11.986 -2.658 55 HA GLU 10 HA GLU 10 4.999 13.580 -0.257 56 1HB GLU 10 2HB GLU 10 5.565 14.925 -2.285 57 2HB GLU 10 1HB GLU 10 4.295 14.077 -3.167 58 1HG GLU 10 2HG GLU 10 3.288 16.099 -2.413 59 2HG GLU 10 1HG GLU 10 2.704 14.853 -1.310 60 H ASN 11 H ASN 11 4.195 10.968 -2.286 61 HA ASN 11 HA ASN 11 1.364 11.059 -2.291 62 1HB ASN 11 2HB ASN 11 3.322 9.264 -3.136 63 2HB ASN 11 1HB ASN 11 2.415 8.364 -1.920 64 1HD2 ASN 11 1HD2 ASN 11 1.433 7.015 -3.630 65 2HD2 ASN 11 2HD2 ASN 11 0.207 7.640 -4.623 66 HA PRO 12 HA PRO 12 0.585 10.431 2.030 67 1HB PRO 12 2HB PRO 12 -2.133 10.093 1.799 68 2HB PRO 12 1HB PRO 12 -1.332 11.673 1.719 69 1HG PRO 12 2HG PRO 12 -2.508 10.052 -0.490 70 2HG PRO 12 1HG PRO 12 -2.282 11.805 -0.383 71 1HD PRO 12 2HD PRO 12 -0.649 10.006 -1.839 72 2HD PRO 12 1HD PRO 12 -0.259 11.697 -1.454 73 H CYS 13 H CYS 13 -0.258 8.145 -0.476 74 HA CYS 13 HA CYS 13 -0.931 6.037 1.494 75 1HB CYS 13 2HB CYS 13 -1.768 6.553 -1.112 76 2HB CYS 13 1HB CYS 13 -0.704 5.155 -1.253 77 H CYS 14 H CYS 14 1.878 7.256 1.019 78 HA CYS 14 HA CYS 14 3.192 4.652 1.178 79 1HB CYS 14 2HB CYS 14 3.368 6.362 -1.241 80 2HB CYS 14 1HB CYS 14 4.881 5.662 -0.665 81 H ASP 15 H ASP 15 4.844 4.754 2.559 82 HA ASP 15 HA ASP 15 5.585 7.291 3.772 83 1HB ASP 15 2HB ASP 15 5.497 4.763 4.695 84 2HB ASP 15 1HB ASP 15 7.194 4.865 4.257 85 H ALA 16 H ALA 16 7.325 8.548 3.211 86 HA ALA 16 HA ALA 16 8.937 7.748 0.919 87 1HB ALA 16 1HB ALA 16 9.726 10.166 2.415 88 2HB ALA 16 2HB ALA 16 8.061 10.166 1.834 89 3HB ALA 16 3HB ALA 16 9.392 9.966 0.695 90 H ALA 17 H ALA 17 9.251 7.683 4.367 91 HA ALA 17 HA ALA 17 12.178 7.599 4.353 92 1HB ALA 17 1HB ALA 17 11.962 7.884 6.583 93 2HB ALA 17 2HB ALA 17 10.888 6.493 6.726 94 3HB ALA 17 3HB ALA 17 10.233 8.071 6.289 95 H THR 18 H THR 18 9.733 5.370 3.628 96 HA THR 18 HA THR 18 11.695 3.140 3.931 97 HB THR 18 HB THR 18 9.806 1.652 4.602 98 HG1 THR 18 HG1 THR 18 7.926 2.867 5.381 99 1HG2 THR 18 1HG2 THR 18 9.988 4.025 6.464 100 2HG2 THR 18 2HG2 THR 18 11.325 2.895 6.245 101 3HG2 THR 18 3HG2 THR 18 9.785 2.324 6.887 102 H CYS 19 H CYS 19 10.030 4.936 1.802 103 HA CYS 19 HA CYS 19 9.068 4.539 -0.319 104 1HB CYS 19 2HB CYS 19 11.645 3.489 -0.205 105 2HB CYS 19 1HB CYS 19 10.684 2.213 -0.911 106 H LYS 20 H LYS 20 7.114 3.677 0.879 107 HA LYS 20 HA LYS 20 6.283 1.190 -0.313 108 1HB LYS 20 2HB LYS 20 7.424 1.153 2.401 109 2HB LYS 20 1HB LYS 20 5.842 0.381 2.269 110 1HG LYS 20 2HG LYS 20 7.321 -0.439 0.002 111 2HG LYS 20 1HG LYS 20 8.407 -0.593 1.384 112 1HD LYS 20 2HD LYS 20 6.190 -1.638 2.487 113 2HD LYS 20 1HD LYS 20 5.870 -2.039 0.799 114 1HE LYS 20 2HE LYS 20 8.177 -3.037 0.672 115 2HE LYS 20 1HE LYS 20 8.325 -2.783 2.411 116 1HZ LYS 20 1HZ LYS 20 5.881 -4.085 1.661 117 2HZ LYS 20 2HZ LYS 20 7.024 -4.518 2.842 118 3HZ LYS 20 3HZ LYS 20 7.257 -4.972 1.221 119 H LEU 21 H LEU 21 4.162 0.550 1.406 120 HA LEU 21 HA LEU 21 2.482 2.932 1.016 121 1HB LEU 21 2HB LEU 21 1.976 0.064 1.745 122 2HB LEU 21 1HB LEU 21 0.738 1.273 2.087 123 HG LEU 21 HG LEU 21 2.014 1.167 -0.631 124 1HD1 LEU 21 1HD1 LEU 21 0.162 -0.791 0.596 125 2HD1 LEU 21 2HD1 LEU 21 1.264 -0.984 -0.768 126 3HD1 LEU 21 3HD1 LEU 21 -0.299 -0.200 -1.001 127 1HD2 LEU 21 1HD2 LEU 21 -0.079 2.630 0.667 128 2HD2 LEU 21 2HD2 LEU 21 -0.784 1.666 -0.630 129 3HD2 LEU 21 3HD2 LEU 21 0.518 2.801 -0.984 130 H ARG 22 H ARG 22 1.987 4.349 2.598 131 HA ARG 22 HA ARG 22 3.114 3.969 5.265 132 1HB ARG 22 2HB ARG 22 2.294 6.177 3.696 133 2HB ARG 22 1HB ARG 22 1.265 6.177 5.131 134 1HG ARG 22 2HG ARG 22 3.988 5.554 5.870 135 2HG ARG 22 1HG ARG 22 3.940 7.064 4.957 136 1HD ARG 22 2HD ARG 22 2.018 7.772 6.473 137 2HD ARG 22 1HD ARG 22 2.415 6.379 7.479 138 HE ARG 22 HE ARG 22 4.358 7.520 8.213 139 1HH1 ARG 22 1HH1 ARG 22 2.423 9.833 7.102 140 2HH1 ARG 22 2HH1 ARG 22 3.638 10.877 6.443 141 1HH2 ARG 22 1HH2 ARG 22 6.165 8.512 6.656 142 2HH2 ARG 22 2HH2 ARG 22 5.756 10.129 6.191 143 HA PRO 23 HA PRO 23 -1.500 3.751 6.448 144 1HB PRO 23 2HB PRO 23 -3.342 3.705 4.410 145 2HB PRO 23 1HB PRO 23 -2.761 5.195 5.173 146 1HG PRO 23 2HG PRO 23 -2.096 4.081 2.493 147 2HG PRO 23 1HG PRO 23 -2.043 5.760 3.054 148 1HD PRO 23 2HD PRO 23 0.178 4.019 2.750 149 2HD PRO 23 1HD PRO 23 0.185 5.600 3.561 150 H GLY 24 H GLY 24 -3.494 2.068 5.865 151 1HA GLY 24 2HA GLY 24 -2.113 -0.506 5.418 152 2HA GLY 24 1HA GLY 24 -3.751 -0.306 6.042 153 H ALA 25 H ALA 25 -2.960 1.565 3.266 154 HA ALA 25 HA ALA 25 -5.030 0.448 1.676 155 1HB ALA 25 1HB ALA 25 -3.906 2.704 1.361 156 2HB ALA 25 2HB ALA 25 -4.172 1.787 -0.122 157 3HB ALA 25 3HB ALA 25 -2.566 1.842 0.607 158 H GLN 26 H GLN 26 -4.425 -0.451 -0.647 159 HA GLN 26 HA GLN 26 -2.566 -2.733 -0.185 160 1HB GLN 26 2HB GLN 26 -5.204 -2.507 -1.362 161 2HB GLN 26 1HB GLN 26 -4.073 -3.280 -2.469 162 1HG GLN 26 2HG GLN 26 -4.538 -5.166 -1.282 163 2HG GLN 26 1HG GLN 26 -3.425 -4.487 -0.095 164 1HE2 GLN 26 1HE2 GLN 26 -6.631 -5.568 -0.529 165 2HE2 GLN 26 2HE2 GLN 26 -7.303 -4.894 0.875 166 H CYS 27 H CYS 27 -2.597 0.213 -1.636 167 HA CYS 27 HA CYS 27 -0.246 -0.218 -3.158 168 1HB CYS 27 2HB CYS 27 -1.089 -0.122 -5.444 169 2HB CYS 27 1HB CYS 27 -1.807 -1.508 -4.620 170 H GLY 28 H GLY 28 0.601 1.767 -3.849 171 1HA GLY 28 2HA GLY 28 -1.131 4.131 -3.274 172 2HA GLY 28 1HA GLY 28 0.607 4.113 -3.002 173 H GLU 29 H GLU 29 0.475 2.442 -5.724 174 HA GLU 29 HA GLU 29 -0.304 4.271 -7.756 175 1HB GLU 29 2HB GLU 29 1.958 5.125 -8.402 176 2HB GLU 29 1HB GLU 29 1.396 5.753 -6.855 177 1HG GLU 29 2HG GLU 29 3.227 4.922 -5.855 178 2HG GLU 29 1HG GLU 29 2.749 3.297 -6.343 179 H GLY 30 H GLY 30 -0.294 3.133 -9.654 180 1HA GLY 30 2HA GLY 30 1.768 1.368 -10.507 181 2HA GLY 30 1HA GLY 30 0.496 0.410 -9.751 182 H LEU 31 H LEU 31 0.513 -0.366 -12.155 183 HA LEU 31 HA LEU 31 -0.682 1.375 -14.136 184 1HB LEU 31 2HB LEU 31 0.391 -1.278 -14.035 185 2HB LEU 31 1HB LEU 31 -1.176 -1.310 -14.836 186 HG LEU 31 HG LEU 31 0.807 -0.861 -16.358 187 1HD1 LEU 31 1HD1 LEU 31 -1.455 -0.277 -17.051 188 2HD1 LEU 31 2HD1 LEU 31 -0.361 1.019 -17.534 189 3HD1 LEU 31 3HD1 LEU 31 -1.391 1.216 -16.115 190 1HD2 LEU 31 1HD2 LEU 31 1.983 1.169 -16.212 191 2HD2 LEU 31 2HD2 LEU 31 1.802 0.712 -14.518 192 3HD2 LEU 31 3HD2 LEU 31 0.736 1.928 -15.222 193 H CYS 32 H CYS 32 -1.906 -0.566 -11.570 194 HA CYS 32 HA CYS 32 -4.659 0.195 -12.335 195 1HB CYS 32 2HB CYS 32 -4.062 -2.669 -11.578 196 2HB CYS 32 1HB CYS 32 -5.540 -2.009 -12.277 197 H CYS 33 H CYS 33 -3.811 1.546 -10.385 198 HA CYS 33 HA CYS 33 -4.538 0.065 -7.890 199 1HB CYS 33 2HB CYS 33 -2.184 0.488 -7.730 200 2HB CYS 33 1HB CYS 33 -2.373 2.140 -8.310 201 H GLU 34 H GLU 34 -6.531 0.815 -7.366 202 HA GLU 34 HA GLU 34 -7.505 3.427 -8.119 203 1HB GLU 34 2HB GLU 34 -8.724 1.869 -5.886 204 2HB GLU 34 1HB GLU 34 -9.523 2.792 -7.150 205 1HG GLU 34 2HG GLU 34 -8.190 0.090 -7.418 206 2HG GLU 34 1HG GLU 34 -9.888 0.486 -7.669 207 H GLN 35 H GLN 35 -8.618 4.612 -5.930 208 HA GLN 35 HA GLN 35 -6.450 5.960 -4.719 209 1HB GLN 35 2HB GLN 35 -8.286 6.602 -2.984 210 2HB GLN 35 1HB GLN 35 -8.488 7.115 -4.659 211 1HG GLN 35 2HG GLN 35 -10.156 5.558 -5.083 212 2HG GLN 35 1HG GLN 35 -9.585 4.453 -3.832 213 1HE2 GLN 35 1HE2 GLN 35 -11.200 7.636 -4.254 214 2HE2 GLN 35 2HE2 GLN 35 -12.026 7.584 -2.771 215 H CYS 36 H CYS 36 -5.007 4.366 -3.874 216 HA CYS 36 HA CYS 36 -4.102 3.066 -2.147 217 1HB CYS 36 2HB CYS 36 -6.445 4.308 -0.686 218 2HB CYS 36 1HB CYS 36 -5.211 3.327 0.102 219 H LYS 37 H LYS 37 -5.820 1.750 -4.003 220 HA LYS 37 HA LYS 37 -6.574 -0.561 -2.341 221 1HB LYS 37 2HB LYS 37 -8.560 1.250 -2.838 222 2HB LYS 37 1HB LYS 37 -8.716 0.192 -4.241 223 1HG LYS 37 2HG LYS 37 -10.104 -0.795 -2.588 224 2HG LYS 37 1HG LYS 37 -8.627 -1.759 -2.567 225 1HD LYS 37 2HD LYS 37 -8.088 -1.096 -0.466 226 2HD LYS 37 1HD LYS 37 -8.531 0.580 -0.789 227 1HE LYS 37 2HE LYS 37 -10.224 0.068 0.679 228 2HE LYS 37 1HE LYS 37 -10.990 -0.500 -0.804 229 1HZ LYS 37 1HZ LYS 37 -10.106 -2.717 -0.343 230 2HZ LYS 37 2HZ LYS 37 -11.121 -2.178 0.907 231 3HZ LYS 37 3HZ LYS 37 -9.434 -2.157 1.109 232 H PHE 38 H PHE 38 -6.443 -2.483 -3.522 233 HA PHE 38 HA PHE 38 -4.965 -2.450 -5.969 234 1HB PHE 38 2HB PHE 38 -6.428 -4.548 -4.406 235 2HB PHE 38 1HB PHE 38 -5.921 -4.922 -6.052 236 HD1 PHE 38 HD1 PHE 38 -3.395 -3.379 -6.263 237 HD2 PHE 38 HD2 PHE 38 -4.940 -5.767 -3.042 238 HE1 PHE 38 HE1 PHE 38 -1.087 -3.786 -5.455 239 HE2 PHE 38 HE2 PHE 38 -2.631 -6.174 -2.237 240 HZ PHE 38 HZ PHE 38 -0.703 -5.183 -3.443 241 H SER 39 H SER 39 -5.665 -2.206 -8.037 242 HA SER 39 HA SER 39 -8.311 -1.463 -8.706 243 1HB SER 39 2HB SER 39 -7.637 -2.014 -11.057 244 2HB SER 39 1HB SER 39 -6.454 -1.015 -10.220 245 HG SER 39 HG SER 39 -6.241 -3.801 -10.047 246 H ARG 40 H ARG 40 -9.573 -2.887 -10.456 247 HA ARG 40 HA ARG 40 -9.973 -5.511 -9.170 248 1HB ARG 40 2HB ARG 40 -11.754 -3.549 -10.160 249 2HB ARG 40 1HB ARG 40 -11.920 -4.971 -11.188 250 1HG ARG 40 2HG ARG 40 -12.045 -6.337 -9.027 251 2HG ARG 40 1HG ARG 40 -12.257 -4.799 -8.191 252 1HD ARG 40 2HD ARG 40 -14.024 -5.897 -10.397 253 2HD ARG 40 1HD ARG 40 -14.449 -5.758 -8.690 254 HE ARG 40 HE ARG 40 -13.846 -3.342 -10.348 255 1HH1 ARG 40 1HH1 ARG 40 -14.585 -3.752 -7.270 256 2HH1 ARG 40 2HH1 ARG 40 -16.180 -3.074 -7.296 257 1HH2 ARG 40 1HH2 ARG 40 -16.409 -3.070 -10.756 258 2HH2 ARG 40 2HH2 ARG 40 -17.212 -2.689 -9.270 259 H ALA 41 H ALA 41 -9.610 -7.384 -10.271 260 HA ALA 41 HA ALA 41 -7.866 -7.614 -12.392 261 1HB ALA 41 1HB ALA 41 -9.447 -9.780 -12.866 262 2HB ALA 41 2HB ALA 41 -9.952 -9.363 -11.229 263 3HB ALA 41 3HB ALA 41 -8.256 -9.708 -11.569 264 H GLY 42 H GLY 42 -8.469 -8.530 -14.660 265 1HA GLY 42 2HA GLY 42 -9.527 -8.219 -16.729 266 2HA GLY 42 1HA GLY 42 -10.973 -7.759 -15.836 267 H LYS 43 H LYS 43 -8.120 -6.021 -15.027 268 HA LYS 43 HA LYS 43 -9.255 -3.616 -16.313 269 1HB LYS 43 2HB LYS 43 -8.705 -3.212 -14.041 270 2HB LYS 43 1HB LYS 43 -7.176 -4.073 -14.175 271 1HG LYS 43 2HG LYS 43 -6.486 -1.836 -14.215 272 2HG LYS 43 1HG LYS 43 -6.579 -2.212 -15.928 273 1HD LYS 43 2HD LYS 43 -7.700 -0.101 -15.585 274 2HD LYS 43 1HD LYS 43 -8.938 -1.313 -15.918 275 1HE LYS 43 2HE LYS 43 -9.619 -1.417 -13.670 276 2HE LYS 43 1HE LYS 43 -8.116 -0.706 -13.085 277 1HZ LYS 43 1HZ LYS 43 -9.790 0.950 -12.971 278 2HZ LYS 43 2HZ LYS 43 -10.295 0.655 -14.566 279 3HZ LYS 43 3HZ LYS 43 -8.779 1.363 -14.269 280 H ILE 44 H ILE 44 -8.323 -2.778 -18.172 281 HA ILE 44 HA ILE 44 -6.075 -4.223 -19.354 282 HB ILE 44 HB ILE 44 -7.794 -3.398 -20.834 283 1HG1 ILE 44 2HG1 ILE 44 -6.433 -2.007 -22.374 284 2HG1 ILE 44 1HG1 ILE 44 -5.272 -1.722 -21.075 285 1HG2 ILE 44 1HG2 ILE 44 -7.523 -0.622 -20.843 286 2HG2 ILE 44 2HG2 ILE 44 -7.541 -1.049 -19.132 287 3HG2 ILE 44 3HG2 ILE 44 -8.877 -1.534 -20.175 288 1HD1 ILE 44 1HD1 ILE 44 -5.805 -4.555 -21.344 289 2HD1 ILE 44 2HD1 ILE 44 -4.267 -3.700 -21.460 290 3HD1 ILE 44 3HD1 ILE 44 -5.287 -3.879 -22.888 291 H CYS 45 H CYS 45 -4.156 -3.873 -18.325 292 HA CYS 45 HA CYS 45 -3.373 -1.193 -17.389 293 1HB CYS 45 2HB CYS 45 -1.253 -2.402 -16.742 294 2HB CYS 45 1HB CYS 45 -2.714 -3.062 -16.017 295 H ARG 46 H ARG 46 -2.968 -3.190 -20.181 296 HA ARG 46 HA ARG 46 -1.589 -1.059 -21.599 297 1HB ARG 46 2HB ARG 46 -0.061 -3.307 -20.428 298 2HB ARG 46 1HB ARG 46 0.277 -2.978 -22.127 299 1HG ARG 46 2HG ARG 46 0.535 -0.527 -21.470 300 2HG ARG 46 1HG ARG 46 0.517 -1.071 -19.792 301 1HD ARG 46 2HD ARG 46 2.702 -1.574 -19.947 302 2HD ARG 46 1HD ARG 46 2.326 -2.756 -21.201 303 HE ARG 46 HE ARG 46 2.722 0.112 -21.927 304 1HH1 ARG 46 1HH1 ARG 46 2.271 -2.479 -23.678 305 2HH1 ARG 46 2HH1 ARG 46 3.857 -2.632 -24.358 306 1HH2 ARG 46 1HH2 ARG 46 5.313 -0.401 -22.139 307 2HH2 ARG 46 2HH2 ARG 46 5.578 -1.455 -23.487 308 H ILE 47 H ILE 47 -2.425 -1.187 -23.621 309 HA ILE 47 HA ILE 47 -3.600 -3.748 -24.524 310 HB ILE 47 HB ILE 47 -4.955 -1.739 -24.811 311 1HG1 ILE 47 2HG1 ILE 47 -5.404 -1.913 -27.215 312 2HG1 ILE 47 1HG1 ILE 47 -3.828 -2.660 -27.475 313 1HG2 ILE 47 1HG2 ILE 47 -3.454 -0.418 -26.881 314 2HG2 ILE 47 2HG2 ILE 47 -2.450 -0.570 -25.439 315 3HG2 ILE 47 3HG2 ILE 47 -4.017 0.234 -25.341 316 1HD1 ILE 47 1HD1 ILE 47 -5.961 -3.822 -25.665 317 2HD1 ILE 47 2HD1 ILE 47 -4.455 -4.592 -26.161 318 3HD1 ILE 47 3HD1 ILE 47 -5.731 -4.308 -27.344 319 H ALA 48 H ALA 48 -2.445 -5.096 -25.814 320 HA ALA 48 HA ALA 48 0.194 -4.648 -26.659 321 1HB ALA 48 1HB ALA 48 -1.697 -6.719 -26.906 322 2HB ALA 48 2HB ALA 48 0.012 -6.786 -27.337 323 3HB ALA 48 3HB ALA 48 -1.187 -6.348 -28.552 324 H LYS 49 H LYS 49 0.521 -5.033 -29.314 325 HA LYS 49 HA LYS 49 -1.019 -2.914 -30.711 326 1HB LYS 49 2HB LYS 49 1.976 -3.033 -30.749 327 2HB LYS 49 1HB LYS 49 0.956 -1.773 -31.434 328 1HG LYS 49 2HG LYS 49 0.264 -1.039 -29.253 329 2HG LYS 49 1HG LYS 49 0.998 -2.446 -28.483 330 1HD LYS 49 2HD LYS 49 2.587 -0.398 -30.048 331 2HD LYS 49 1HD LYS 49 2.355 -0.314 -28.302 332 1HE LYS 49 2HE LYS 49 3.573 -2.669 -29.774 333 2HE LYS 49 1HE LYS 49 4.491 -1.436 -28.910 334 1HZ LYS 49 1HZ LYS 49 2.575 -2.271 -27.138 335 2HZ LYS 49 2HZ LYS 49 4.223 -2.682 -27.112 336 3HZ LYS 49 3HZ LYS 49 3.101 -3.699 -27.883 337 H GLY 50 H GLY 50 -1.180 -5.745 -31.096 338 1HA GLY 50 2HA GLY 50 -0.861 -5.938 -33.910 339 2HA GLY 50 1HA GLY 50 0.509 -6.731 -33.153 340 H ASP 51 H ASP 51 0.226 -8.750 -32.300 341 HA ASP 51 HA ASP 51 -2.497 -9.757 -31.832 342 1HB ASP 51 2HB ASP 51 -1.015 -10.375 -34.170 343 2HB ASP 51 1HB ASP 51 -1.020 -11.812 -33.149 344 H TRP 52 H TRP 52 -2.074 -10.031 -29.637 345 HA TRP 52 HA TRP 52 -0.630 -12.366 -28.829 346 1HB TRP 52 2HB TRP 52 0.928 -10.567 -27.376 347 2HB TRP 52 1HB TRP 52 1.477 -11.554 -28.726 348 HD1 TRP 52 HD1 TRP 52 -0.641 -8.305 -28.599 349 HE1 TRP 52 HE1 TRP 52 0.391 -6.613 -30.236 350 HE3 TRP 52 HE3 TRP 52 3.341 -11.019 -30.278 351 HZ2 TRP 52 HZ2 TRP 52 2.618 -6.422 -32.013 352 HZ3 TRP 52 HZ3 TRP 52 4.896 -10.058 -31.952 353 HH2 TRP 52 HH2 TRP 52 4.529 -7.762 -32.826 354 H ASN 53 H ASN 53 -3.185 -11.374 -28.333 355 HA ASN 53 HA ASN 53 -4.685 -10.921 -26.588 356 1HB ASN 53 2HB ASN 53 -2.410 -12.403 -25.354 357 2HB ASN 53 1HB ASN 53 -3.568 -11.642 -24.262 358 1HD2 ASN 53 1HD2 ASN 53 -3.692 -13.579 -27.318 359 2HD2 ASN 53 2HD2 ASN 53 -4.993 -14.546 -26.817 360 H ASP 54 H ASP 54 -4.866 -9.687 -24.412 361 HA ASP 54 HA ASP 54 -3.038 -7.322 -24.541 362 1HB ASP 54 2HB ASP 54 -5.127 -6.349 -23.167 363 2HB ASP 54 1HB ASP 54 -5.095 -6.344 -24.928 364 H ASP 55 H ASP 55 -3.280 -6.132 -22.223 365 HA ASP 55 HA ASP 55 -2.519 -8.203 -20.224 366 1HB ASP 55 2HB ASP 55 -2.005 -5.250 -20.074 367 2HB ASP 55 1HB ASP 55 -1.234 -6.516 -19.126 368 H ARG 56 H ARG 56 -3.866 -8.510 -18.480 369 HA ARG 56 HA ARG 56 -5.860 -6.366 -17.929 370 1HB ARG 56 2HB ARG 56 -6.339 -9.330 -17.980 371 2HB ARG 56 1HB ARG 56 -7.516 -8.142 -17.437 372 1HG ARG 56 2HG ARG 56 -6.303 -7.636 -20.096 373 2HG ARG 56 1HG ARG 56 -7.375 -9.033 -19.997 374 1HD ARG 56 2HD ARG 56 -9.066 -7.510 -18.859 375 2HD ARG 56 1HD ARG 56 -8.026 -6.158 -19.310 376 HE ARG 56 HE ARG 56 -8.345 -7.194 -21.724 377 1HH1 ARG 56 1HH1 ARG 56 -10.299 -5.113 -21.121 378 2HH1 ARG 56 2HH1 ARG 56 -11.822 -5.923 -21.282 379 1HH2 ARG 56 1HH2 ARG 56 -10.452 -9.102 -21.077 380 2HH2 ARG 56 2HH2 ARG 56 -11.907 -8.180 -21.257 381 H CYS 57 H CYS 57 -4.723 -5.614 -16.061 382 HA CYS 57 HA CYS 57 -3.419 -6.908 -14.043 383 1HB CYS 57 2HB CYS 57 -5.468 -4.700 -13.887 384 2HB CYS 57 1HB CYS 57 -4.705 -5.315 -12.429 385 H THR 58 H THR 58 -4.069 -7.900 -12.024 386 HA THR 58 HA THR 58 -6.549 -9.498 -12.306 387 HB THR 58 HB THR 58 -5.596 -11.005 -10.750 388 HG1 THR 58 HG1 THR 58 -3.770 -8.937 -10.089 389 1HG2 THR 58 1HG2 THR 58 -3.409 -9.732 -12.409 390 2HG2 THR 58 2HG2 THR 58 -4.374 -11.152 -12.809 391 3HG2 THR 58 3HG2 THR 58 -3.186 -11.232 -11.509 392 H GLY 59 H GLY 59 -7.400 -9.978 -9.828 393 1HA GLY 59 2HA GLY 59 -8.198 -7.284 -8.858 394 2HA GLY 59 1HA GLY 59 -9.044 -8.790 -8.500 395 H GLN 60 H GLN 60 -5.613 -8.917 -8.278 396 HA GLN 60 HA GLN 60 -5.798 -8.639 -5.306 397 1HB GLN 60 2HB GLN 60 -4.581 -10.800 -6.995 398 2HB GLN 60 1HB GLN 60 -3.852 -10.419 -5.434 399 1HG GLN 60 2HG GLN 60 -6.601 -10.498 -4.920 400 2HG GLN 60 1HG GLN 60 -6.315 -11.856 -6.009 401 1HE2 GLN 60 1HE2 GLN 60 -4.437 -13.345 -5.347 402 2HE2 GLN 60 2HE2 GLN 60 -4.158 -13.572 -3.689 403 H SER 61 H SER 61 -3.989 -8.017 -8.238 404 HA SER 61 HA SER 61 -1.920 -6.622 -6.584 405 1HB SER 61 2HB SER 61 -1.241 -8.552 -8.181 406 2HB SER 61 1HB SER 61 -1.548 -7.397 -9.473 407 HG SER 61 HG SER 61 0.656 -7.601 -8.281 408 H ALA 62 H ALA 62 -0.831 -4.899 -8.310 409 HA ALA 62 HA ALA 62 -3.081 -3.345 -9.507 410 1HB ALA 62 1HB ALA 62 -1.482 -2.634 -7.207 411 2HB ALA 62 2HB ALA 62 -2.832 -1.756 -7.927 412 3HB ALA 62 3HB ALA 62 -1.191 -1.488 -8.516 413 H ASP 63 H ASP 63 0.411 -3.945 -9.337 414 HA ASP 63 HA ASP 63 1.165 -2.290 -11.541 415 1HB ASP 63 2HB ASP 63 2.547 -4.876 -11.007 416 2HB ASP 63 1HB ASP 63 3.244 -3.319 -11.430 417 H CYS 64 H CYS 64 2.297 -3.678 -13.514 418 HA CYS 64 HA CYS 64 0.333 -5.677 -14.490 419 1HB CYS 64 2HB CYS 64 -0.543 -3.607 -15.375 420 2HB CYS 64 1HB CYS 64 1.055 -3.108 -15.925 421 HA PRO 65 HA PRO 65 4.200 -7.390 -15.730 422 1HB PRO 65 2HB PRO 65 3.098 -9.749 -16.565 423 2HB PRO 65 1HB PRO 65 3.428 -9.384 -14.871 424 1HG PRO 65 2HG PRO 65 0.833 -9.508 -16.312 425 2HG PRO 65 1HG PRO 65 1.164 -9.685 -14.580 426 1HD PRO 65 2HD PRO 65 0.135 -7.376 -15.877 427 2HD PRO 65 1HD PRO 65 0.695 -7.486 -14.196 428 H ARG 66 H ARG 66 5.222 -7.158 -17.696 429 HA ARG 66 HA ARG 66 3.832 -6.324 -20.042 430 1HB ARG 66 2HB ARG 66 6.594 -7.564 -19.897 431 2HB ARG 66 1HB ARG 66 5.976 -6.511 -21.170 432 1HG ARG 66 2HG ARG 66 5.772 -4.659 -19.591 433 2HG ARG 66 1HG ARG 66 6.281 -5.704 -18.262 434 1HD ARG 66 2HD ARG 66 8.131 -5.687 -20.557 435 2HD ARG 66 1HD ARG 66 7.980 -4.133 -19.739 436 HE ARG 66 HE ARG 66 8.330 -5.853 -17.640 437 1HH1 ARG 66 1HH2 ARG 66 9.689 -7.814 -19.361 438 2HH1 ARG 66 2HH2 ARG 66 11.336 -7.277 -19.347 439 1HH2 ARG 66 1HH1 ARG 66 10.570 -4.106 -18.166 440 2HH2 ARG 66 2HH1 ARG 66 11.834 -5.178 -18.671 441 H TYR 67 H TYR 67 2.335 -7.725 -20.910 442 HA TYR 67 HA TYR 67 2.565 -10.567 -20.921 443 1HB TYR 67 2HB TYR 67 0.710 -8.604 -21.851 444 2HB TYR 67 1HB TYR 67 1.017 -9.748 -23.156 445 HD1 TYR 67 HD1 TYR 67 0.168 -9.570 -19.517 446 HD2 TYR 67 HD2 TYR 67 0.021 -11.880 -23.135 447 HE1 TYR 67 HE1 TYR 67 -1.270 -11.247 -18.389 448 HE2 TYR 67 HE2 TYR 67 -1.417 -13.556 -22.007 449 HH TYR 67 HH TYR 67 -1.704 -14.223 -19.328 450 H HIS 68 HN HIS 68 3.544 -8.085 -23.240 451 HA HIS 68 HA HIS 68 5.363 -10.015 -24.511 452 1HB HIS 68 2HB HIS 68 2.797 -9.334 -25.671 453 2HB HIS 68 1HB HIS 68 4.109 -8.789 -26.715 454 HD1 HIS 68 HD1 HIS 68 2.099 -11.654 -26.218 455 HD2 HIS 68 HD2 HIS 68 6.183 -11.110 -26.849 456 HE1 HIS 68 HE1 HIS 68 3.000 -13.878 -27.031 Start of MODEL 10 1 1H GLY 1 1HT GLY 1 13.119 -8.618 -1.256 2 2H GLY 1 2HT GLY 1 12.175 -10.026 -1.377 3 3H GLY 1 3HT GLY 1 12.327 -9.226 0.115 4 1HA GLY 1 1HA GLY 1 10.758 -8.465 -2.254 5 2HA GLY 1 2HA GLY 1 10.262 -8.519 -0.563 6 H LYS 2 H LYS 2 10.228 -6.278 -2.595 7 HA LYS 2 HA LYS 2 12.222 -4.350 -1.817 8 1HB LYS 2 2HB LYS 2 9.625 -4.261 -3.308 9 2HB LYS 2 1HB LYS 2 10.329 -2.743 -2.747 10 1HG LYS 2 2HG LYS 2 11.593 -2.804 -4.620 11 2HG LYS 2 1HG LYS 2 12.503 -4.090 -3.826 12 1HD LYS 2 2HD LYS 2 10.981 -5.772 -4.801 13 2HD LYS 2 1HD LYS 2 10.077 -4.487 -5.602 14 1HE LYS 2 2HE LYS 2 12.585 -3.882 -6.434 15 2HE LYS 2 1HE LYS 2 12.728 -5.633 -6.274 16 1HZ LYS 2 1HZ LYS 2 10.283 -5.132 -7.481 17 2HZ LYS 2 2HZ LYS 2 11.665 -5.820 -8.189 18 3HZ LYS 2 3HZ LYS 2 11.409 -4.142 -8.274 19 H GLU 3 H GLU 3 11.864 -2.438 -0.498 20 HA GLU 3 HA GLU 3 9.726 -2.824 1.560 21 1HB GLU 3 2HB GLU 3 11.284 -1.866 3.209 22 2HB GLU 3 1HB GLU 3 11.991 -3.297 2.457 23 1HG GLU 3 2HG GLU 3 12.687 -1.112 0.803 24 2HG GLU 3 1HG GLU 3 12.984 -0.589 2.461 25 H CYS 4 H CYS 4 9.414 -1.299 -0.823 26 HA CYS 4 HA CYS 4 8.897 1.323 0.409 27 1HB CYS 4 2HB CYS 4 11.079 1.631 -0.640 28 2HB CYS 4 1HB CYS 4 10.435 1.019 -2.137 29 H ASP 5 H ASP 5 6.725 0.264 0.203 30 HA ASP 5 HA ASP 5 5.358 -0.652 -1.957 31 1HB ASP 5 2HB ASP 5 4.599 0.440 0.447 32 2HB ASP 5 1HB ASP 5 3.898 1.581 -0.704 33 H CYS 6 H CYS 6 6.261 2.749 -1.483 34 HA CYS 6 HA CYS 6 6.186 3.160 -4.368 35 1HB CYS 6 2HB CYS 6 4.083 3.948 -4.485 36 2HB CYS 6 1HB CYS 6 3.907 3.874 -2.744 37 H SER 7 H SER 7 7.298 5.127 -4.967 38 HA SER 7 HA SER 7 9.014 6.146 -2.756 39 1HB SER 7 2HB SER 7 10.065 7.146 -5.102 40 2HB SER 7 1HB SER 7 10.591 5.667 -4.305 41 HG SER 7 HG SER 7 9.759 5.726 -6.661 42 H SER 8 H SER 8 6.419 7.111 -4.806 43 HA SER 8 HA SER 8 6.927 9.872 -5.113 44 1HB SER 8 2HB SER 8 5.006 8.587 -6.106 45 2HB SER 8 1HB SER 8 4.244 8.663 -4.527 46 HG SER 8 HG SER 8 4.045 10.440 -6.358 47 HA PRO 9 HA PRO 9 6.848 10.842 -0.731 48 1HB PRO 9 2HB PRO 9 7.821 13.396 -1.052 49 2HB PRO 9 1HB PRO 9 8.849 11.952 -1.011 50 1HG PRO 9 2HG PRO 9 8.048 13.622 -3.351 51 2HG PRO 9 1HG PRO 9 9.497 12.629 -3.124 52 1HD PRO 9 2HD PRO 9 7.233 11.912 -4.655 53 2HD PRO 9 1HD PRO 9 8.520 10.809 -4.123 54 H GLU 10 H GLU 10 5.500 12.754 -3.374 55 HA GLU 10 HA GLU 10 3.791 14.355 -1.615 56 1HB GLU 10 2HB GLU 10 4.578 15.229 -3.802 57 2HB GLU 10 1HB GLU 10 3.691 13.944 -4.623 58 1HG GLU 10 2HG GLU 10 2.180 15.731 -4.723 59 2HG GLU 10 1HG GLU 10 1.636 14.858 -3.289 60 H ASN 11 H ASN 11 3.689 11.297 -3.185 61 HA ASN 11 HA ASN 11 0.831 10.972 -3.303 62 1HB ASN 11 2HB ASN 11 2.657 9.674 -4.568 63 2HB ASN 11 1HB ASN 11 2.868 8.758 -3.079 64 1HD2 ASN 11 1HD2 ASN 11 2.015 7.339 -5.296 65 2HD2 ASN 11 2HD2 ASN 11 0.378 6.926 -5.141 66 HA PRO 12 HA PRO 12 0.513 10.311 1.121 67 1HB PRO 12 2HB PRO 12 -2.229 10.158 1.150 68 2HB PRO 12 1HB PRO 12 -1.332 11.685 1.098 69 1HG PRO 12 2HG PRO 12 -2.828 10.313 -1.087 70 2HG PRO 12 1HG PRO 12 -2.473 12.036 -0.881 71 1HD PRO 12 2HD PRO 12 -1.118 10.264 -2.622 72 2HD PRO 12 1HD PRO 12 -0.572 11.889 -2.153 73 H CYS 13 H CYS 13 -0.647 8.235 -1.423 74 HA CYS 13 HA CYS 13 -1.679 6.107 0.233 75 1HB CYS 13 2HB CYS 13 -0.772 6.323 -2.622 76 2HB CYS 13 1HB CYS 13 -1.090 4.737 -1.925 77 H CYS 14 H CYS 14 1.460 7.271 -0.083 78 HA CYS 14 HA CYS 14 2.480 4.698 1.005 79 1HB CYS 14 2HB CYS 14 4.653 5.429 -0.397 80 2HB CYS 14 1HB CYS 14 3.421 4.351 -1.046 81 H ASP 15 H ASP 15 2.997 5.287 3.015 82 HA ASP 15 HA ASP 15 3.743 7.823 3.951 83 1HB ASP 15 2HB ASP 15 3.448 5.319 5.057 84 2HB ASP 15 1HB ASP 15 5.172 5.616 5.221 85 H ALA 16 H ALA 16 5.328 8.993 2.942 86 HA ALA 16 HA ALA 16 7.609 7.878 1.637 87 1HB ALA 16 1HB ALA 16 8.450 10.195 1.582 88 2HB ALA 16 2HB ALA 16 7.222 10.670 2.757 89 3HB ALA 16 3HB ALA 16 6.742 10.141 1.145 90 H ALA 17 H ALA 17 6.994 8.794 4.954 91 HA ALA 17 HA ALA 17 9.670 9.064 5.873 92 1HB ALA 17 1HB ALA 17 8.766 8.573 8.096 93 2HB ALA 17 2HB ALA 17 7.301 7.907 7.375 94 3HB ALA 17 3HB ALA 17 7.654 9.628 7.224 95 H THR 18 H THR 18 7.944 6.291 4.777 96 HA THR 18 HA THR 18 10.239 4.594 5.642 97 HB THR 18 HB THR 18 8.634 3.880 7.190 98 HG1 THR 18 HG1 THR 18 8.469 1.878 6.567 99 1HG2 THR 18 1HG2 THR 18 6.663 4.431 4.977 100 2HG2 THR 18 2HG2 THR 18 6.730 5.140 6.591 101 3HG2 THR 18 3HG2 THR 18 6.216 3.465 6.384 102 H CYS 19 H CYS 19 8.463 5.763 3.075 103 HA CYS 19 HA CYS 19 8.546 5.125 0.784 104 1HB CYS 19 2HB CYS 19 10.791 3.978 1.942 105 2HB CYS 19 1HB CYS 19 9.989 2.650 1.107 106 H LYS 20 H LYS 20 6.970 3.561 3.193 107 HA LYS 20 HA LYS 20 5.903 1.477 1.325 108 1HB LYS 20 2HB LYS 20 6.259 1.572 4.285 109 2HB LYS 20 1HB LYS 20 4.879 0.675 3.650 110 1HG LYS 20 2HG LYS 20 6.730 -0.292 1.994 111 2HG LYS 20 1HG LYS 20 7.801 0.132 3.330 112 1HD LYS 20 2HD LYS 20 5.433 -1.160 4.357 113 2HD LYS 20 1HD LYS 20 6.167 -2.168 3.109 114 1HE LYS 20 2HE LYS 20 7.616 -2.850 4.703 115 2HE LYS 20 1HE LYS 20 8.351 -1.253 4.566 116 1HZ LYS 20 1HZ LYS 20 7.687 -0.808 6.613 117 2HZ LYS 20 2HZ LYS 20 6.986 -2.350 6.746 118 3HZ LYS 20 3HZ LYS 20 6.067 -1.041 6.169 119 H LEU 21 H LEU 21 3.495 0.916 2.425 120 HA LEU 21 HA LEU 21 1.836 3.082 1.500 121 1HB LEU 21 2HB LEU 21 1.385 0.401 2.737 122 2HB LEU 21 1HB LEU 21 0.051 1.555 2.758 123 HG LEU 21 HG LEU 21 1.587 1.024 0.221 124 1HD1 LEU 21 1HD1 LEU 21 -0.778 -0.518 1.322 125 2HD1 LEU 21 2HD1 LEU 21 0.822 -1.164 0.958 126 3HD1 LEU 21 3HD1 LEU 21 -0.224 -0.610 -0.348 127 1HD2 LEU 21 1HD2 LEU 21 -0.579 2.692 1.025 128 2HD2 LEU 21 2HD2 LEU 21 -1.226 1.470 -0.070 129 3HD2 LEU 21 3HD2 LEU 21 0.105 2.503 -0.589 130 H ARG 22 H ARG 22 0.810 4.687 2.670 131 HA ARG 22 HA ARG 22 1.639 4.985 5.478 132 1HB ARG 22 2HB ARG 22 1.761 7.090 4.614 133 2HB ARG 22 1HB ARG 22 0.574 6.760 3.361 134 1HG ARG 22 2HG ARG 22 -1.228 6.909 5.100 135 2HG ARG 22 1HG ARG 22 0.002 7.367 6.280 136 1HD ARG 22 2HD ARG 22 -0.508 8.869 3.699 137 2HD ARG 22 1HD ARG 22 -1.195 9.327 5.258 138 HE ARG 22 HE ARG 22 1.746 9.066 5.152 139 1HH1 ARG 22 1HH1 ARG 22 -0.200 11.292 3.737 140 2HH1 ARG 22 2HH1 ARG 22 0.241 12.633 4.741 141 1HH2 ARG 22 1HH2 ARG 22 1.952 10.689 7.045 142 2HH2 ARG 22 2HH2 ARG 22 1.459 12.291 6.613 143 HA PRO 23 HA PRO 23 -3.055 4.717 6.178 144 1HB PRO 23 2HB PRO 23 -4.698 4.391 4.000 145 2HB PRO 23 1HB PRO 23 -4.215 5.977 4.628 146 1HG PRO 23 2HG PRO 23 -3.270 4.560 2.180 147 2HG PRO 23 1HG PRO 23 -3.331 6.298 2.518 148 1HD PRO 23 2HD PRO 23 -1.022 4.668 2.636 149 2HD PRO 23 1HD PRO 23 -1.181 6.315 3.280 150 H GLY 24 H GLY 24 -4.994 2.937 5.356 151 1HA GLY 24 2HA GLY 24 -3.531 0.364 5.453 152 2HA GLY 24 1HA GLY 24 -5.255 0.583 5.764 153 H ALA 25 H ALA 25 -3.810 2.114 3.002 154 HA ALA 25 HA ALA 25 -5.634 0.980 1.150 155 1HB ALA 25 1HB ALA 25 -4.228 1.968 -0.574 156 2HB ALA 25 2HB ALA 25 -2.880 2.093 0.553 157 3HB ALA 25 3HB ALA 25 -4.322 3.078 0.792 158 H GLN 26 H GLN 26 -4.383 -0.082 -0.978 159 HA GLN 26 HA GLN 26 -3.166 -2.573 0.127 160 1HB GLN 26 2HB GLN 26 -5.301 -2.107 -1.716 161 2HB GLN 26 1HB GLN 26 -4.001 -2.948 -2.562 162 1HG GLN 26 2HG GLN 26 -5.335 -4.666 -1.587 163 2HG GLN 26 1HG GLN 26 -3.915 -4.519 -0.551 164 1HE2 GLN 26 1HE2 GLN 26 -6.995 -2.646 -0.769 165 2HE2 GLN 26 2HE2 GLN 26 -7.363 -2.780 0.882 166 H CYS 27 H CYS 27 -2.397 0.212 -1.551 167 HA CYS 27 HA CYS 27 0.249 -0.694 -2.182 168 1HB CYS 27 2HB CYS 27 0.022 -0.331 -4.695 169 2HB CYS 27 1HB CYS 27 -0.710 -1.808 -4.074 170 H GLY 28 H GLY 28 1.368 1.100 -3.617 171 1HA GLY 28 2HA GLY 28 0.258 3.727 -2.716 172 2HA GLY 28 1HA GLY 28 1.982 3.391 -2.856 173 H GLU 29 H GLU 29 1.259 1.859 -5.453 174 HA GLU 29 HA GLU 29 0.178 3.717 -7.325 175 1HB GLU 29 2HB GLU 29 2.201 4.616 -8.348 176 2HB GLU 29 1HB GLU 29 2.172 5.055 -6.639 177 1HG GLU 29 2HG GLU 29 4.208 4.110 -6.445 178 2HG GLU 29 1HG GLU 29 3.437 2.549 -6.726 179 H GLY 30 H GLY 30 -0.085 2.669 -9.274 180 1HA GLY 30 2HA GLY 30 1.697 0.770 -10.399 181 2HA GLY 30 1HA GLY 30 0.480 -0.110 -9.477 182 H LEU 31 H LEU 31 0.614 -0.424 -12.251 183 HA LEU 31 HA LEU 31 -1.135 1.362 -13.677 184 1HB LEU 31 2HB LEU 31 0.304 -1.074 -14.216 185 2HB LEU 31 1HB LEU 31 -1.311 -1.150 -14.905 186 HG LEU 31 HG LEU 31 0.562 1.197 -15.276 187 1HD1 LEU 31 1HD1 LEU 31 1.639 -0.608 -16.385 188 2HD1 LEU 31 2HD1 LEU 31 0.720 0.212 -17.647 189 3HD1 LEU 31 3HD1 LEU 31 0.108 -1.284 -16.941 190 1HD2 LEU 31 1HD2 LEU 31 -1.037 1.629 -17.192 191 2HD2 LEU 31 2HD2 LEU 31 -1.762 1.789 -15.591 192 3HD2 LEU 31 3HD2 LEU 31 -2.051 0.337 -16.550 193 H CYS 32 H CYS 32 -1.663 -1.378 -11.594 194 HA CYS 32 HA CYS 32 -4.585 -1.212 -12.205 195 1HB CYS 32 2HB CYS 32 -3.583 -3.618 -10.794 196 2HB CYS 32 1HB CYS 32 -4.780 -3.487 -12.079 197 H CYS 33 H CYS 33 -3.455 0.601 -10.403 198 HA CYS 33 HA CYS 33 -4.604 -0.409 -7.840 199 1HB CYS 33 2HB CYS 33 -1.885 0.583 -8.358 200 2HB CYS 33 1HB CYS 33 -2.688 1.389 -7.010 201 H GLU 34 H GLU 34 -6.387 0.807 -7.527 202 HA GLU 34 HA GLU 34 -6.659 3.469 -8.671 203 1HB GLU 34 2HB GLU 34 -8.871 3.452 -7.634 204 2HB GLU 34 1HB GLU 34 -8.578 1.900 -8.418 205 1HG GLU 34 2HG GLU 34 -7.971 0.885 -6.289 206 2HG GLU 34 1HG GLU 34 -8.113 2.444 -5.473 207 H GLN 35 H GLN 35 -8.045 4.775 -6.588 208 HA GLN 35 HA GLN 35 -5.931 6.108 -5.254 209 1HB GLN 35 2HB GLN 35 -8.737 6.379 -5.470 210 2HB GLN 35 1HB GLN 35 -8.375 6.320 -3.744 211 1HG GLN 35 2HG GLN 35 -6.739 8.112 -3.982 212 2HG GLN 35 1HG GLN 35 -6.961 8.124 -5.731 213 1HE2 GLN 35 1HE2 GLN 35 -7.471 10.545 -4.728 214 2HE2 GLN 35 2HE2 GLN 35 -9.131 10.843 -4.534 215 H CYS 36 H CYS 36 -4.616 4.536 -4.193 216 HA CYS 36 HA CYS 36 -3.916 3.306 -2.316 217 1HB CYS 36 2HB CYS 36 -6.130 5.017 -1.328 218 2HB CYS 36 1HB CYS 36 -5.709 3.636 -0.320 219 H LYS 37 H LYS 37 -5.513 1.901 -4.268 220 HA LYS 37 HA LYS 37 -6.381 -0.313 -2.569 221 1HB LYS 37 2HB LYS 37 -8.337 1.510 -3.876 222 2HB LYS 37 1HB LYS 37 -8.671 -0.219 -3.976 223 1HG LYS 37 2HG LYS 37 -7.818 0.359 -1.312 224 2HG LYS 37 1HG LYS 37 -9.069 1.524 -1.749 225 1HD LYS 37 2HD LYS 37 -10.657 -0.160 -2.188 226 2HD LYS 37 1HD LYS 37 -9.423 -1.413 -2.331 227 1HE LYS 37 2HE LYS 37 -9.465 -1.826 -0.113 228 2HE LYS 37 1HE LYS 37 -9.337 -0.111 0.274 229 1HZ LYS 37 1HZ LYS 37 -11.767 0.012 -0.368 230 2HZ LYS 37 2HZ LYS 37 -11.407 -0.778 1.092 231 3HZ LYS 37 3HZ LYS 37 -11.778 -1.682 -0.299 232 H PHE 38 H PHE 38 -6.919 -2.239 -3.867 233 HA PHE 38 HA PHE 38 -5.373 -2.270 -6.379 234 1HB PHE 38 2HB PHE 38 -6.595 -4.366 -4.598 235 2HB PHE 38 1HB PHE 38 -6.113 -4.780 -6.241 236 HD1 PHE 38 HD1 PHE 38 -4.984 -5.423 -3.240 237 HD2 PHE 38 HD2 PHE 38 -3.719 -3.062 -6.596 238 HE1 PHE 38 HE1 PHE 38 -2.627 -5.623 -2.492 239 HE2 PHE 38 HE2 PHE 38 -1.362 -3.260 -5.848 240 HZ PHE 38 HZ PHE 38 -0.817 -4.542 -3.797 241 H SER 39 H SER 39 -6.462 -1.691 -8.217 242 HA SER 39 HA SER 39 -9.248 -1.470 -8.510 243 1HB SER 39 2HB SER 39 -8.385 -2.223 -11.043 244 2HB SER 39 1HB SER 39 -8.410 -0.579 -10.412 245 HG SER 39 HG SER 39 -6.315 -0.632 -10.266 246 H ARG 40 H ARG 40 -10.390 -2.994 -10.339 247 HA ARG 40 HA ARG 40 -10.381 -5.655 -9.107 248 1HB ARG 40 2HB ARG 40 -12.352 -6.002 -10.714 249 2HB ARG 40 1HB ARG 40 -12.572 -4.789 -9.451 250 1HG ARG 40 2HG ARG 40 -12.403 -3.013 -10.936 251 2HG ARG 40 1HG ARG 40 -11.425 -3.929 -12.083 252 1HD ARG 40 2HD ARG 40 -13.315 -5.152 -12.872 253 2HD ARG 40 1HD ARG 40 -14.316 -4.615 -11.523 254 HE ARG 40 HE ARG 40 -13.921 -3.171 -13.980 255 1HH1 ARG 40 1HH1 ARG 40 -12.590 -1.376 -11.969 256 2HH1 ARG 40 2HH1 ARG 40 -13.914 -0.401 -11.427 257 1HH2 ARG 40 1HH2 ARG 40 -16.341 -2.532 -12.686 258 2HH2 ARG 40 2HH2 ARG 40 -16.038 -1.056 -11.834 259 H ALA 41 H ALA 41 -10.012 -7.590 -10.319 260 HA ALA 41 HA ALA 41 -7.894 -7.537 -12.183 261 1HB ALA 41 1HB ALA 41 -10.027 -9.596 -11.596 262 2HB ALA 41 2HB ALA 41 -8.328 -9.619 -11.122 263 3HB ALA 41 3HB ALA 41 -8.778 -9.884 -12.808 264 H GLY 42 H GLY 42 -8.546 -8.933 -14.446 265 1HA GLY 42 2HA GLY 42 -9.252 -8.434 -16.641 266 2HA GLY 42 1HA GLY 42 -10.830 -8.184 -15.889 267 H LYS 43 H LYS 43 -8.109 -6.292 -14.848 268 HA LYS 43 HA LYS 43 -9.460 -3.875 -15.847 269 1HB LYS 43 2HB LYS 43 -8.847 -3.305 -13.729 270 2HB LYS 43 1HB LYS 43 -7.587 -4.526 -13.665 271 1HG LYS 43 2HG LYS 43 -5.967 -3.090 -14.455 272 2HG LYS 43 1HG LYS 43 -7.106 -2.183 -15.448 273 1HD LYS 43 2HD LYS 43 -8.039 -1.668 -12.916 274 2HD LYS 43 1HD LYS 43 -6.297 -1.740 -12.655 275 1HE LYS 43 2HE LYS 43 -5.871 0.050 -14.092 276 2HE LYS 43 1HE LYS 43 -7.374 -0.180 -14.983 277 1HZ LYS 43 1HZ LYS 43 -7.076 0.888 -12.232 278 2HZ LYS 43 2HZ LYS 43 -8.570 0.511 -12.948 279 3HZ LYS 43 3HZ LYS 43 -7.594 1.737 -13.606 280 H ILE 44 H ILE 44 -8.667 -2.659 -17.530 281 HA ILE 44 HA ILE 44 -6.565 -3.833 -19.157 282 HB ILE 44 HB ILE 44 -8.373 -2.827 -20.325 283 1HG1 ILE 44 2HG1 ILE 44 -7.238 -0.820 -21.470 284 2HG1 ILE 44 1HG1 ILE 44 -5.880 -1.108 -20.385 285 1HG2 ILE 44 1HG2 ILE 44 -9.441 -1.387 -18.873 286 2HG2 ILE 44 2HG2 ILE 44 -8.618 -0.217 -19.906 287 3HG2 ILE 44 3HG2 ILE 44 -7.935 -0.642 -18.336 288 1HD1 ILE 44 1HD1 ILE 44 -5.152 -2.764 -21.722 289 2HD1 ILE 44 2HD1 ILE 44 -6.498 -2.459 -22.819 290 3HD1 ILE 44 3HD1 ILE 44 -6.679 -3.619 -21.503 291 H CYS 45 H CYS 45 -4.468 -3.482 -18.906 292 HA CYS 45 HA CYS 45 -3.560 -1.007 -17.488 293 1HB CYS 45 2HB CYS 45 -1.402 -2.379 -17.227 294 2HB CYS 45 1HB CYS 45 -2.792 -2.899 -16.279 295 H ARG 46 H ARG 46 -3.562 -2.691 -20.488 296 HA ARG 46 HA ARG 46 -2.332 -0.536 -21.899 297 1HB ARG 46 2HB ARG 46 -0.521 -2.513 -20.746 298 2HB ARG 46 1HB ARG 46 -0.367 -2.425 -22.501 299 1HG ARG 46 2HG ARG 46 0.232 -0.159 -22.467 300 2HG ARG 46 1HG ARG 46 -0.467 0.100 -20.868 301 1HD ARG 46 2HD ARG 46 1.370 -0.749 -19.773 302 2HD ARG 46 1HD ARG 46 1.747 -1.883 -21.069 303 HE ARG 46 HE ARG 46 2.925 -0.124 -22.219 304 1HH1 ARG 46 1HH2 ARG 46 0.956 2.037 -21.190 305 2HH1 ARG 46 2HH2 ARG 46 2.031 3.000 -20.232 306 1HH2 ARG 46 1HH1 ARG 46 4.536 0.605 -20.158 307 2HH2 ARG 46 2HH1 ARG 46 4.057 2.189 -19.648 308 H ILE 47 H ILE 47 -2.712 -0.796 -24.102 309 HA ILE 47 HA ILE 47 -4.384 -3.032 -24.902 310 HB ILE 47 HB ILE 47 -4.455 -1.948 -27.074 311 1HG1 ILE 47 2HG1 ILE 47 -2.416 0.070 -26.158 312 2HG1 ILE 47 1HG1 ILE 47 -1.888 -1.438 -26.903 313 1HG2 ILE 47 1HG2 ILE 47 -5.510 0.022 -26.414 314 2HG2 ILE 47 2HG2 ILE 47 -4.297 0.379 -25.186 315 3HG2 ILE 47 3HG2 ILE 47 -5.496 -0.881 -24.901 316 1HD1 ILE 47 1HD1 ILE 47 -3.945 -0.566 -28.565 317 2HD1 ILE 47 2HD1 ILE 47 -2.218 -0.425 -28.893 318 3HD1 ILE 47 3HD1 ILE 47 -3.086 0.916 -28.145 319 H ALA 48 H ALA 48 -3.840 -4.642 -26.494 320 HA ALA 48 HA ALA 48 -1.283 -5.820 -26.237 321 1HB ALA 48 1HB ALA 48 -1.931 -7.076 -28.356 322 2HB ALA 48 2HB ALA 48 -3.402 -6.102 -28.371 323 3HB ALA 48 3HB ALA 48 -3.079 -7.192 -27.023 324 H LYS 49 H LYS 49 -2.230 -5.051 -29.489 325 HA LYS 49 HA LYS 49 -0.371 -2.898 -29.897 326 1HB LYS 49 2HB LYS 49 0.564 -5.670 -30.258 327 2HB LYS 49 1HB LYS 49 1.005 -4.529 -31.525 328 1HG LYS 49 2HG LYS 49 1.438 -3.158 -29.113 329 2HG LYS 49 1HG LYS 49 2.070 -4.783 -28.838 330 1HD LYS 49 2HD LYS 49 3.795 -4.474 -30.275 331 2HD LYS 49 1HD LYS 49 2.764 -3.695 -31.477 332 1HE LYS 49 2HE LYS 49 3.112 -2.046 -29.092 333 2HE LYS 49 1HE LYS 49 4.648 -2.418 -29.874 334 1HZ LYS 49 1HZ LYS 49 4.157 -1.099 -31.574 335 2HZ LYS 49 2HZ LYS 49 2.861 -0.505 -30.649 336 3HZ LYS 49 3HZ LYS 49 2.608 -1.765 -31.761 337 H GLY 50 H GLY 50 -0.504 -5.375 -32.301 338 1HA GLY 50 2HA GLY 50 -1.751 -3.672 -34.221 339 2HA GLY 50 1HA GLY 50 -1.520 -5.407 -34.412 340 H ASP 51 H ASP 51 -3.068 -6.714 -32.872 341 HA ASP 51 HA ASP 51 -5.553 -5.642 -32.033 342 1HB ASP 51 2HB ASP 51 -5.331 -5.833 -34.855 343 2HB ASP 51 1HB ASP 51 -6.421 -7.113 -34.327 344 H TRP 52 H TRP 52 -5.834 -7.146 -30.452 345 HA TRP 52 HA TRP 52 -6.671 -9.780 -30.892 346 1HB TRP 52 2HB TRP 52 -4.368 -10.833 -29.985 347 2HB TRP 52 1HB TRP 52 -4.704 -10.667 -31.708 348 HD1 TRP 52 HD1 TRP 52 -3.732 -7.819 -29.323 349 HE1 TRP 52 HE1 TRP 52 -1.547 -6.750 -30.171 350 HE3 TRP 52 HE3 TRP 52 -2.646 -10.985 -33.166 351 HZ2 TRP 52 HZ2 TRP 52 0.406 -7.183 -32.220 352 HZ3 TRP 52 HZ3 TRP 52 -0.623 -10.637 -34.555 353 HH2 TRP 52 HH2 TRP 52 0.905 -8.739 -34.086 354 H ASN 53 H ASN 53 -7.887 -8.724 -29.115 355 HA ASN 53 HA ASN 53 -8.424 -8.547 -26.839 356 1HB ASN 53 2HB ASN 53 -6.158 -10.538 -26.788 357 2HB ASN 53 1HB ASN 53 -6.902 -9.971 -25.292 358 1HD2 ASN 53 1HD2 ASN 53 -8.501 -11.394 -24.607 359 2HD2 ASN 53 2HD2 ASN 53 -9.549 -12.253 -25.630 360 H ASP 54 H ASP 54 -7.151 -8.036 -24.595 361 HA ASP 54 HA ASP 54 -4.912 -6.168 -25.203 362 1HB ASP 54 2HB ASP 54 -6.218 -4.740 -23.309 363 2HB ASP 54 1HB ASP 54 -6.463 -4.491 -25.037 364 H ASP 55 H ASP 55 -4.367 -5.186 -22.763 365 HA ASP 55 HA ASP 55 -3.548 -7.594 -21.278 366 1HB ASP 55 2HB ASP 55 -2.894 -4.699 -20.796 367 2HB ASP 55 1HB ASP 55 -2.113 -6.070 -20.020 368 H ARG 56 H ARG 56 -4.291 -8.110 -19.224 369 HA ARG 56 HA ARG 56 -6.375 -6.317 -18.053 370 1HB ARG 56 2HB ARG 56 -6.278 -9.322 -18.044 371 2HB ARG 56 1HB ARG 56 -7.500 -8.344 -17.243 372 1HG ARG 56 2HG ARG 56 -6.968 -7.943 -20.171 373 2HG ARG 56 1HG ARG 56 -7.976 -9.293 -19.649 374 1HD ARG 56 2HD ARG 56 -9.469 -7.767 -18.460 375 2HD ARG 56 1HD ARG 56 -8.434 -6.399 -18.873 376 HE ARG 56 HE ARG 56 -9.091 -7.508 -21.328 377 1HH1 ARG 56 1HH2 ARG 56 -11.475 -7.962 -19.193 378 2HH1 ARG 56 2HH2 ARG 56 -12.569 -6.766 -19.801 379 1HH2 ARG 56 1HH1 ARG 56 -10.211 -5.271 -21.858 380 2HH2 ARG 56 2HH1 ARG 56 -11.854 -5.242 -21.310 381 H CYS 57 H CYS 57 -6.479 -6.393 -15.697 382 HA CYS 57 HA CYS 57 -3.852 -7.160 -14.514 383 1HB CYS 57 2HB CYS 57 -5.852 -5.013 -13.828 384 2HB CYS 57 1HB CYS 57 -4.655 -5.549 -12.654 385 H THR 58 H THR 58 -4.017 -7.898 -12.206 386 HA THR 58 HA THR 58 -6.209 -9.856 -11.968 387 HB THR 58 HB THR 58 -4.890 -10.891 -10.290 388 HG1 THR 58 HG1 THR 58 -3.665 -9.785 -8.975 389 1HG2 THR 58 1HG2 THR 58 -3.247 -9.641 -12.475 390 2HG2 THR 58 2HG2 THR 58 -3.742 -11.322 -12.284 391 3HG2 THR 58 3HG2 THR 58 -2.473 -10.654 -11.258 392 H GLY 59 H GLY 59 -6.872 -10.082 -9.437 393 1HA GLY 59 2HA GLY 59 -8.068 -7.449 -8.782 394 2HA GLY 59 1HA GLY 59 -8.574 -9.001 -8.117 395 H GLN 60 H GLN 60 -5.176 -8.423 -8.235 396 HA GLN 60 HA GLN 60 -5.010 -7.216 -5.572 397 1HB GLN 60 2HB GLN 60 -3.613 -9.293 -4.800 398 2HB GLN 60 1HB GLN 60 -5.374 -9.360 -4.703 399 1HG GLN 60 2HG GLN 60 -5.355 -10.405 -7.016 400 2HG GLN 60 1HG GLN 60 -3.604 -10.546 -6.855 401 1HE2 GLN 60 1HE2 GLN 60 -5.147 -12.899 -7.090 402 2HE2 GLN 60 2HE2 GLN 60 -5.142 -13.724 -5.606 403 H SER 61 H SER 61 -3.930 -7.065 -8.474 404 HA SER 61 HA SER 61 -1.025 -7.079 -7.757 405 1HB SER 61 2HB SER 61 -1.771 -8.535 -9.690 406 2HB SER 61 1HB SER 61 -2.225 -7.060 -10.539 407 HG SER 61 HG SER 61 0.147 -8.172 -10.412 408 H ALA 62 H ALA 62 0.207 -5.204 -8.241 409 HA ALA 62 HA ALA 62 -1.441 -2.758 -8.670 410 1HB ALA 62 1HB ALA 62 0.315 -3.257 -6.676 411 2HB ALA 62 2HB ALA 62 0.000 -1.633 -7.288 412 3HB ALA 62 3HB ALA 62 1.408 -2.533 -7.855 413 H ASP 63 H ASP 63 1.049 -4.712 -10.093 414 HA ASP 63 HA ASP 63 1.553 -2.572 -12.114 415 1HB ASP 63 2HB ASP 63 3.233 -5.016 -11.965 416 2HB ASP 63 1HB ASP 63 3.687 -3.382 -12.425 417 H CYS 64 H CYS 64 1.988 -3.519 -14.366 418 HA CYS 64 HA CYS 64 0.012 -5.703 -14.883 419 1HB CYS 64 2HB CYS 64 -0.761 -3.612 -15.840 420 2HB CYS 64 1HB CYS 64 0.805 -3.336 -16.600 421 HA PRO 65 HA PRO 65 3.485 -7.900 -16.399 422 1HB PRO 65 2HB PRO 65 2.028 -10.038 -17.289 423 2HB PRO 65 1HB PRO 65 2.447 -9.794 -15.595 424 1HG PRO 65 2HG PRO 65 -0.169 -9.462 -16.968 425 2HG PRO 65 1HG PRO 65 0.167 -9.784 -15.258 426 1HD PRO 65 2HD PRO 65 -0.544 -7.282 -16.381 427 2HD PRO 65 1HD PRO 65 0.078 -7.564 -14.741 428 H ARG 66 H ARG 66 3.714 -9.341 -18.627 429 HA ARG 66 HA ARG 66 2.328 -8.038 -20.860 430 1HB ARG 66 2HB ARG 66 4.282 -7.200 -21.933 431 2HB ARG 66 1HB ARG 66 4.413 -6.670 -20.257 432 1HG ARG 66 2HG ARG 66 5.734 -8.870 -19.880 433 2HG ARG 66 1HG ARG 66 5.887 -8.911 -21.637 434 1HD ARG 66 2HD ARG 66 7.065 -6.986 -19.675 435 2HD ARG 66 1HD ARG 66 7.790 -7.705 -21.112 436 HE ARG 66 HE ARG 66 5.833 -5.445 -21.175 437 1HH1 ARG 66 1HH1 ARG 66 8.974 -6.277 -21.872 438 2HH1 ARG 66 2HH1 ARG 66 8.955 -5.741 -23.519 439 1HH2 ARG 66 1HH2 ARG 66 5.529 -5.205 -23.582 440 2HH2 ARG 66 2HH2 ARG 66 7.004 -5.133 -24.488 441 H TYR 67 H TYR 67 3.334 -9.055 -23.011 442 HA TYR 67 HA TYR 67 4.567 -11.624 -22.867 443 1HB TYR 67 2HB TYR 67 2.641 -13.069 -23.318 444 2HB TYR 67 1HB TYR 67 2.407 -12.228 -21.785 445 HD1 TYR 67 HD1 TYR 67 1.209 -12.659 -25.201 446 HD2 TYR 67 HD2 TYR 67 0.897 -10.236 -21.668 447 HE1 TYR 67 HE1 TYR 67 -0.902 -11.680 -26.057 448 HE2 TYR 67 HE2 TYR 67 -1.213 -9.256 -22.525 449 HH TYR 67 HH TYR 67 -2.668 -10.400 -25.561 450 H HIS 68 HN HIS 68 2.301 -9.528 -24.604 451 HA HIS 68 HA HIS 68 3.194 -10.646 -27.195 452 1HB HIS 68 2HB HIS 68 0.842 -9.310 -26.246 453 2HB HIS 68 1HB HIS 68 1.541 -8.352 -27.550 454 HD1 HIS 68 HD1 HIS 68 2.779 -10.894 -29.057 455 HD2 HIS 68 HD2 HIS 68 -1.192 -10.437 -27.876 456 HE1 HIS 68 HE1 HIS 68 1.411 -12.425 -30.538 Start of MODEL 11 1 1H GLY 1 1HT GLY 1 9.914 -5.295 -6.666 2 2H GLY 1 2HT GLY 1 8.280 -5.079 -6.253 3 3H GLY 1 3HT GLY 1 9.326 -5.898 -5.194 4 1HA GLY 1 1HA GLY 1 9.917 -3.121 -5.965 5 2HA GLY 1 2HA GLY 1 8.720 -3.449 -4.712 6 H LYS 2 H LYS 2 11.349 -2.186 -4.380 7 HA LYS 2 HA LYS 2 12.991 -4.203 -3.007 8 1HB LYS 2 2HB LYS 2 13.314 -1.221 -3.383 9 2HB LYS 2 1HB LYS 2 14.472 -2.234 -2.518 10 1HG LYS 2 2HG LYS 2 14.825 -3.596 -4.525 11 2HG LYS 2 1HG LYS 2 13.619 -2.651 -5.399 12 1HD LYS 2 2HD LYS 2 15.300 -0.692 -4.435 13 2HD LYS 2 1HD LYS 2 16.423 -2.004 -4.793 14 1HE LYS 2 2HE LYS 2 16.033 -1.904 -7.049 15 2HE LYS 2 1HE LYS 2 14.337 -1.465 -6.841 16 1HZ LYS 2 1HZ LYS 2 14.827 0.733 -6.650 17 2HZ LYS 2 2HZ LYS 2 16.099 0.266 -7.675 18 3HZ LYS 2 3HZ LYS 2 16.374 0.464 -6.010 19 H GLU 3 H GLU 3 12.207 -0.993 -1.840 20 HA GLU 3 HA GLU 3 10.738 -2.066 0.471 21 1HB GLU 3 2HB GLU 3 12.265 -1.097 2.133 22 2HB GLU 3 1HB GLU 3 13.127 -2.276 1.141 23 1HG GLU 3 2HG GLU 3 13.627 -0.141 -0.357 24 2HG GLU 3 1HG GLU 3 13.352 0.709 1.164 25 H CYS 4 H CYS 4 10.175 -0.291 -1.740 26 HA CYS 4 HA CYS 4 9.248 2.040 -0.178 27 1HB CYS 4 2HB CYS 4 11.432 2.574 -1.403 28 2HB CYS 4 1HB CYS 4 10.485 2.430 -2.864 29 H ASP 5 H ASP 5 7.393 0.506 -0.454 30 HA ASP 5 HA ASP 5 6.072 -0.343 -2.646 31 1HB ASP 5 2HB ASP 5 5.291 -0.083 -0.136 32 2HB ASP 5 1HB ASP 5 4.434 1.320 -0.776 33 H CYS 6 H CYS 6 6.488 3.096 -1.861 34 HA CYS 6 HA CYS 6 5.155 3.660 -4.487 35 1HB CYS 6 2HB CYS 6 4.021 5.526 -3.623 36 2HB CYS 6 1HB CYS 6 3.890 4.350 -2.322 37 H SER 7 H SER 7 5.824 6.068 -5.175 38 HA SER 7 HA SER 7 8.779 6.257 -4.756 39 1HB SER 7 2HB SER 7 9.094 6.486 -7.000 40 2HB SER 7 1HB SER 7 7.507 5.732 -7.128 41 HG SER 7 HG SER 7 6.735 7.564 -7.799 42 H SER 8 H SER 8 5.742 8.033 -5.116 43 HA SER 8 HA SER 8 7.015 10.636 -4.822 44 1HB SER 8 2HB SER 8 4.428 9.654 -5.499 45 2HB SER 8 1HB SER 8 4.256 10.767 -4.147 46 HG SER 8 HG SER 8 5.920 11.415 -6.319 47 HA PRO 9 HA PRO 9 7.169 10.322 -0.387 48 1HB PRO 9 2HB PRO 9 8.195 12.837 0.030 49 2HB PRO 9 1HB PRO 9 9.173 11.459 -0.504 50 1HG PRO 9 2HG PRO 9 8.215 13.802 -2.079 51 2HG PRO 9 1HG PRO 9 9.636 12.776 -2.346 52 1HD PRO 9 2HD PRO 9 7.183 12.622 -3.758 53 2HD PRO 9 1HD PRO 9 8.486 11.415 -3.788 54 H GLU 10 H GLU 10 5.023 12.075 -2.216 55 HA GLU 10 HA GLU 10 3.739 13.253 0.220 56 1HB GLU 10 2HB GLU 10 3.305 14.298 -2.578 57 2HB GLU 10 1HB GLU 10 2.990 15.108 -1.042 58 1HG GLU 10 2HG GLU 10 5.698 14.522 -0.904 59 2HG GLU 10 1HG GLU 10 5.468 14.972 -2.594 60 H ASN 11 H ASN 11 3.466 10.587 -1.268 61 HA ASN 11 HA ASN 11 0.710 10.762 -2.265 62 1HB ASN 11 2HB ASN 11 2.835 9.223 -3.022 63 2HB ASN 11 1HB ASN 11 1.959 8.104 -1.978 64 1HD2 ASN 11 1HD2 ASN 11 1.164 6.786 -3.744 65 2HD2 ASN 11 2HD2 ASN 11 0.005 7.363 -4.843 66 HA PRO 12 HA PRO 12 -0.914 9.503 1.661 67 1HB PRO 12 2HB PRO 12 -3.482 9.033 0.804 68 2HB PRO 12 1HB PRO 12 -2.824 10.658 1.066 69 1HG PRO 12 2HG PRO 12 -3.370 9.249 -1.502 70 2HG PRO 12 1HG PRO 12 -3.311 10.986 -1.168 71 1HD PRO 12 2HD PRO 12 -1.268 9.451 -2.402 72 2HD PRO 12 1HD PRO 12 -1.113 11.115 -1.801 73 H CYS 13 H CYS 13 -0.970 7.546 -1.213 74 HA CYS 13 HA CYS 13 -2.032 5.145 0.087 75 1HB CYS 13 2HB CYS 13 -0.620 5.510 -2.570 76 2HB CYS 13 1HB CYS 13 -1.446 4.045 -2.048 77 H CYS 14 H CYS 14 0.737 6.664 0.735 78 HA CYS 14 HA CYS 14 2.009 4.155 1.530 79 1HB CYS 14 2HB CYS 14 3.980 4.291 0.246 80 2HB CYS 14 1HB CYS 14 2.691 4.617 -0.908 81 H ASP 15 H ASP 15 4.589 5.261 1.870 82 HA ASP 15 HA ASP 15 4.196 7.560 3.696 83 1HB ASP 15 2HB ASP 15 4.057 5.141 4.779 84 2HB ASP 15 1HB ASP 15 5.805 5.258 4.660 85 H ALA 16 H ALA 16 5.869 8.984 3.418 86 HA ALA 16 HA ALA 16 8.155 8.140 1.782 87 1HB ALA 16 1HB ALA 16 8.300 10.314 1.150 88 2HB ALA 16 2HB ALA 16 8.130 10.897 2.805 89 3HB ALA 16 3HB ALA 16 6.699 10.465 1.872 90 H ALA 17 H ALA 17 7.517 7.895 4.960 91 HA ALA 17 HA ALA 17 10.223 8.787 5.845 92 1HB ALA 17 1HB ALA 17 9.392 8.747 8.071 93 2HB ALA 17 2HB ALA 17 8.021 7.731 7.627 94 3HB ALA 17 3HB ALA 17 8.068 9.420 7.121 95 H THR 18 H THR 18 8.333 6.039 5.066 96 HA THR 18 HA THR 18 10.542 4.267 5.983 97 HB THR 18 HB THR 18 7.699 4.226 6.692 98 HG1 THR 18 HG1 THR 18 8.610 2.945 8.381 99 1HG2 THR 18 1HG2 THR 18 7.481 1.773 6.686 100 2HG2 THR 18 2HG2 THR 18 9.035 1.638 5.861 101 3HG2 THR 18 3HG2 THR 18 7.667 2.395 5.047 102 H CYS 19 H CYS 19 8.955 5.508 3.398 103 HA CYS 19 HA CYS 19 8.570 4.789 1.198 104 1HB CYS 19 2HB CYS 19 11.165 3.860 2.055 105 2HB CYS 19 1HB CYS 19 10.498 2.808 0.836 106 H LYS 20 H LYS 20 6.538 3.776 1.820 107 HA LYS 20 HA LYS 20 6.281 1.111 0.876 108 1HB LYS 20 2HB LYS 20 6.779 1.389 3.784 109 2HB LYS 20 1HB LYS 20 5.450 0.327 3.320 110 1HG LYS 20 2HG LYS 20 7.601 -0.222 1.548 111 2HG LYS 20 1HG LYS 20 8.270 -0.193 3.180 112 1HD LYS 20 2HD LYS 20 7.439 -2.267 3.471 113 2HD LYS 20 1HD LYS 20 5.824 -1.557 3.418 114 1HE LYS 20 2HE LYS 20 5.672 -1.895 1.037 115 2HE LYS 20 1HE LYS 20 7.368 -2.369 0.942 116 1HZ LYS 20 1HZ LYS 20 6.629 -4.437 1.186 117 2HZ LYS 20 2HZ LYS 20 5.077 -3.929 1.658 118 3HZ LYS 20 3HZ LYS 20 6.323 -4.048 2.808 119 H LEU 21 H LEU 21 4.012 0.245 1.332 120 HA LEU 21 HA LEU 21 2.104 2.356 0.876 121 1HB LEU 21 2HB LEU 21 1.989 -0.592 1.239 122 2HB LEU 21 1HB LEU 21 0.511 0.309 1.564 123 HG LEU 21 HG LEU 21 2.046 0.858 -0.962 124 1HD1 LEU 21 1HD1 LEU 21 -0.153 -1.180 -0.891 125 2HD1 LEU 21 2HD1 LEU 21 1.505 -1.678 -0.558 126 3HD1 LEU 21 3HD1 LEU 21 1.100 -0.940 -2.108 127 1HD2 LEU 21 1HD2 LEU 21 -0.313 1.801 0.226 128 2HD2 LEU 21 2HD2 LEU 21 -0.846 0.744 -1.080 129 3HD2 LEU 21 3HD2 LEU 21 0.227 2.099 -1.425 130 H ARG 22 H ARG 22 0.209 2.740 2.187 131 HA ARG 22 HA ARG 22 0.850 2.718 5.084 132 1HB ARG 22 2HB ARG 22 0.160 4.892 4.464 133 2HB ARG 22 1HB ARG 22 -1.060 4.284 3.346 134 1HG ARG 22 2HG ARG 22 -2.631 4.145 4.970 135 2HG ARG 22 1HG ARG 22 -1.508 3.405 6.108 136 1HD ARG 22 2HD ARG 22 -1.161 5.372 7.150 137 2HD ARG 22 1HD ARG 22 -0.808 6.180 5.622 138 HE ARG 22 HE ARG 22 -3.340 6.384 5.367 139 1HH1 ARG 22 1HH2 ARG 22 -3.411 4.745 8.090 140 2HH1 ARG 22 2HH2 ARG 22 -3.975 6.000 9.141 141 1HH2 ARG 22 1HH1 ARG 22 -3.386 8.542 6.856 142 2HH2 ARG 22 2HH1 ARG 22 -3.963 8.151 8.442 143 HA PRO 23 HA PRO 23 -1.775 -0.811 5.535 144 1HB PRO 23 2HB PRO 23 -2.371 -0.439 8.216 145 2HB PRO 23 1HB PRO 23 -0.867 -1.159 7.611 146 1HG PRO 23 2HG PRO 23 -1.357 1.651 8.579 147 2HG PRO 23 1HG PRO 23 0.078 0.628 8.787 148 1HD PRO 23 2HD PRO 23 -0.023 2.623 6.893 149 2HD PRO 23 1HD PRO 23 0.922 1.141 6.676 150 H GLY 24 H GLY 24 -3.357 0.171 4.124 151 1HA GLY 24 2HA GLY 24 -5.974 0.341 5.183 152 2HA GLY 24 1HA GLY 24 -5.397 1.990 4.910 153 H ALA 25 H ALA 25 -3.711 1.399 2.708 154 HA ALA 25 HA ALA 25 -5.722 1.006 0.583 155 1HB ALA 25 1HB ALA 25 -2.873 1.854 0.134 156 2HB ALA 25 2HB ALA 25 -4.046 3.011 0.761 157 3HB ALA 25 3HB ALA 25 -4.303 2.256 -0.809 158 H GLN 26 H GLN 26 -4.482 -0.096 -1.507 159 HA GLN 26 HA GLN 26 -3.002 -2.438 -0.411 160 1HB GLN 26 2HB GLN 26 -5.482 -2.299 -1.948 161 2HB GLN 26 1HB GLN 26 -4.298 -3.415 -2.620 162 1HG GLN 26 2HG GLN 26 -4.538 -4.864 -0.878 163 2HG GLN 26 1HG GLN 26 -4.510 -3.553 0.297 164 1HE2 GLN 26 1HE2 GLN 26 -6.495 -5.970 -0.521 165 2HE2 GLN 26 2HE2 GLN 26 -8.008 -5.221 -0.356 166 H CYS 27 H CYS 27 -2.407 0.186 -1.926 167 HA CYS 27 HA CYS 27 -0.218 -0.768 -3.459 168 1HB CYS 27 2HB CYS 27 -1.066 -0.396 -5.732 169 2HB CYS 27 1HB CYS 27 -2.047 -1.615 -4.903 170 H GLY 28 H GLY 28 1.131 0.996 -3.863 171 1HA GLY 28 2HA GLY 28 0.057 3.638 -3.061 172 2HA GLY 28 1HA GLY 28 1.764 3.222 -3.204 173 H GLU 29 H GLU 29 1.254 1.900 -5.833 174 HA GLU 29 HA GLU 29 0.140 3.734 -7.690 175 1HB GLU 29 2HB GLU 29 2.264 4.722 -8.564 176 2HB GLU 29 1HB GLU 29 1.850 5.288 -6.949 177 1HG GLU 29 2HG GLU 29 3.911 4.630 -6.307 178 2HG GLU 29 1HG GLU 29 3.353 2.969 -6.516 179 H GLY 30 H GLY 30 0.108 2.755 -9.698 180 1HA GLY 30 2HA GLY 30 2.132 1.061 -10.745 181 2HA GLY 30 1HA GLY 30 0.920 0.047 -9.964 182 H LEU 31 H LEU 31 0.894 -0.553 -12.450 183 HA LEU 31 HA LEU 31 -0.511 1.256 -14.213 184 1HB LEU 31 2HB LEU 31 0.627 -1.401 -14.333 185 2HB LEU 31 1HB LEU 31 -0.897 -1.309 -15.202 186 HG LEU 31 HG LEU 31 1.198 -0.732 -16.544 187 1HD1 LEU 31 1HD1 LEU 31 -0.177 1.713 -16.944 188 2HD1 LEU 31 2HD1 LEU 31 -1.386 0.541 -16.420 189 3HD1 LEU 31 3HD1 LEU 31 -0.388 0.207 -17.835 190 1HD2 LEU 31 1HD2 LEU 31 2.451 1.129 -16.044 191 2HD2 LEU 31 2HD2 LEU 31 1.906 0.753 -14.410 192 3HD2 LEU 31 3HD2 LEU 31 1.080 1.996 -15.350 193 H CYS 32 H CYS 32 -1.541 -0.522 -11.565 194 HA CYS 32 HA CYS 32 -4.360 -0.234 -12.427 195 1HB CYS 32 2HB CYS 32 -3.529 -2.828 -11.151 196 2HB CYS 32 1HB CYS 32 -4.951 -2.481 -12.135 197 H CYS 33 H CYS 33 -3.041 1.353 -10.550 198 HA CYS 33 HA CYS 33 -4.121 0.295 -7.973 199 1HB CYS 33 2HB CYS 33 -1.715 0.557 -7.828 200 2HB CYS 33 1HB CYS 33 -1.819 2.205 -8.451 201 H GLU 34 H GLU 34 -6.022 1.261 -7.554 202 HA GLU 34 HA GLU 34 -6.721 3.866 -8.658 203 1HB GLU 34 2HB GLU 34 -8.200 1.718 -8.028 204 2HB GLU 34 1HB GLU 34 -8.353 2.620 -6.525 205 1HG GLU 34 2HG GLU 34 -9.683 4.189 -7.463 206 2HG GLU 34 1HG GLU 34 -8.673 4.296 -8.906 207 H GLN 35 H GLN 35 -8.129 5.074 -6.602 208 HA GLN 35 HA GLN 35 -6.109 6.478 -5.191 209 1HB GLN 35 2HB GLN 35 -8.070 7.233 -3.729 210 2HB GLN 35 1HB GLN 35 -8.230 7.543 -5.457 211 1HG GLN 35 2HG GLN 35 -9.831 5.894 -5.748 212 2HG GLN 35 1HG GLN 35 -9.248 4.942 -4.382 213 1HE2 GLN 35 1HE2 GLN 35 -9.367 6.539 -2.212 214 2HE2 GLN 35 2HE2 GLN 35 -10.912 7.207 -1.989 215 H CYS 36 H CYS 36 -4.762 4.890 -4.173 216 HA CYS 36 HA CYS 36 -4.076 3.507 -2.410 217 1HB CYS 36 2HB CYS 36 -6.377 4.984 -1.120 218 2HB CYS 36 1HB CYS 36 -5.302 3.912 -0.233 219 H LYS 37 H LYS 37 -5.756 2.291 -4.325 220 HA LYS 37 HA LYS 37 -6.689 0.000 -2.802 221 1HB LYS 37 2HB LYS 37 -8.575 2.066 -3.442 222 2HB LYS 37 1HB LYS 37 -8.938 0.657 -4.442 223 1HG LYS 37 2HG LYS 37 -9.315 -0.724 -2.593 224 2HG LYS 37 1HG LYS 37 -8.364 0.295 -1.513 225 1HD LYS 37 2HD LYS 37 -10.102 2.066 -1.693 226 2HD LYS 37 1HD LYS 37 -11.069 0.985 -2.699 227 1HE LYS 37 2HE LYS 37 -10.119 -0.088 -0.085 228 2HE LYS 37 1HE LYS 37 -11.401 1.123 -0.040 229 1HZ LYS 37 1HZ LYS 37 -12.830 -0.441 -0.616 230 2HZ LYS 37 2HZ LYS 37 -11.588 -1.595 -0.714 231 3HZ LYS 37 3HZ LYS 37 -12.005 -0.674 -2.079 232 H PHE 38 H PHE 38 -5.381 -1.296 -4.114 233 HA PHE 38 HA PHE 38 -5.024 -0.882 -6.894 234 1HB PHE 38 2HB PHE 38 -4.266 -3.268 -6.937 235 2HB PHE 38 1HB PHE 38 -3.444 -2.252 -5.791 236 HD1 PHE 38 HD1 PHE 38 -2.882 -4.730 -5.081 237 HD2 PHE 38 HD2 PHE 38 -6.699 -2.840 -4.533 238 HE1 PHE 38 HE1 PHE 38 -3.423 -6.345 -3.300 239 HE2 PHE 38 HE2 PHE 38 -7.242 -4.456 -2.756 240 HZ PHE 38 HZ PHE 38 -5.612 -6.221 -2.133 241 H SER 39 H SER 39 -6.481 -0.983 -8.460 242 HA SER 39 HA SER 39 -9.110 -1.776 -8.362 243 1HB SER 39 2HB SER 39 -8.352 -2.605 -10.908 244 2HB SER 39 1HB SER 39 -8.847 -0.976 -10.456 245 HG SER 39 HG SER 39 -6.747 -0.399 -10.234 246 H ARG 40 H ARG 40 -10.156 -3.747 -9.381 247 HA ARG 40 HA ARG 40 -9.028 -6.148 -8.181 248 1HB ARG 40 2HB ARG 40 -11.608 -5.252 -8.854 249 2HB ARG 40 1HB ARG 40 -11.297 -6.647 -9.885 250 1HG ARG 40 2HG ARG 40 -12.070 -7.750 -8.012 251 2HG ARG 40 1HG ARG 40 -10.359 -7.658 -7.597 252 1HD ARG 40 2HD ARG 40 -11.685 -6.910 -5.690 253 2HD ARG 40 1HD ARG 40 -10.811 -5.535 -6.365 254 HE ARG 40 HE ARG 40 -13.429 -5.742 -7.552 255 1HH1 ARG 40 1HH2 ARG 40 -11.776 -3.395 -6.256 256 2HH1 ARG 40 2HH2 ARG 40 -12.920 -2.871 -5.066 257 1HH2 ARG 40 1HH1 ARG 40 -14.899 -5.705 -5.332 258 2HH2 ARG 40 2HH1 ARG 40 -14.687 -4.178 -4.541 259 H ALA 41 H ALA 41 -10.052 -7.983 -10.219 260 HA ALA 41 HA ALA 41 -7.737 -7.849 -12.029 261 1HB ALA 41 1HB ALA 41 -9.858 -9.954 -12.253 262 2HB ALA 41 2HB ALA 41 -8.806 -9.964 -10.838 263 3HB ALA 41 3HB ALA 41 -8.113 -10.103 -12.453 264 H GLY 42 H GLY 42 -8.315 -8.575 -14.406 265 1HA GLY 42 2HA GLY 42 -9.409 -8.074 -16.420 266 2HA GLY 42 1HA GLY 42 -10.835 -7.672 -15.469 267 H LYS 43 H LYS 43 -7.948 -6.056 -14.504 268 HA LYS 43 HA LYS 43 -9.098 -3.508 -15.401 269 1HB LYS 43 2HB LYS 43 -8.145 -3.379 -13.240 270 2HB LYS 43 1HB LYS 43 -6.704 -4.265 -13.732 271 1HG LYS 43 2HG LYS 43 -6.002 -1.995 -13.590 272 2HG LYS 43 1HG LYS 43 -6.227 -2.278 -15.310 273 1HD LYS 43 2HD LYS 43 -8.390 -1.207 -15.282 274 2HD LYS 43 1HD LYS 43 -8.367 -1.103 -13.521 275 1HE LYS 43 2HE LYS 43 -6.097 0.139 -15.016 276 2HE LYS 43 1HE LYS 43 -7.651 0.972 -15.038 277 1HZ LYS 43 1HZ LYS 43 -6.341 0.035 -12.551 278 2HZ LYS 43 2HZ LYS 43 -7.680 1.070 -12.688 279 3HZ LYS 43 3HZ LYS 43 -6.140 1.599 -13.174 280 H ILE 44 H ILE 44 -8.502 -2.487 -17.309 281 HA ILE 44 HA ILE 44 -6.515 -3.807 -18.975 282 HB ILE 44 HB ILE 44 -8.551 -1.736 -19.325 283 1HG1 ILE 44 2HG1 ILE 44 -8.703 -4.016 -20.222 284 2HG1 ILE 44 1HG1 ILE 44 -8.673 -2.845 -21.541 285 1HG2 ILE 44 1HG2 ILE 44 -6.851 -0.217 -19.947 286 2HG2 ILE 44 2HG2 ILE 44 -7.314 -0.960 -21.478 287 3HG2 ILE 44 3HG2 ILE 44 -5.853 -1.492 -20.646 288 1HD1 ILE 44 1HD1 ILE 44 -5.970 -3.476 -20.893 289 2HD1 ILE 44 2HD1 ILE 44 -6.841 -3.842 -22.382 290 3HD1 ILE 44 3HD1 ILE 44 -6.850 -4.997 -21.049 291 H CYS 45 H CYS 45 -4.477 -3.615 -18.198 292 HA CYS 45 HA CYS 45 -3.464 -1.011 -17.247 293 1HB CYS 45 2HB CYS 45 -1.352 -2.341 -16.865 294 2HB CYS 45 1HB CYS 45 -2.753 -2.948 -15.991 295 H ARG 46 H ARG 46 -3.389 -3.053 -20.060 296 HA ARG 46 HA ARG 46 -1.827 -0.954 -21.467 297 1HB ARG 46 2HB ARG 46 -1.211 -3.920 -21.613 298 2HB ARG 46 1HB ARG 46 -0.443 -2.667 -22.588 299 1HG ARG 46 2HG ARG 46 0.331 -1.567 -20.476 300 2HG ARG 46 1HG ARG 46 -0.319 -2.935 -19.573 301 1HD ARG 46 2HD ARG 46 1.497 -4.180 -20.035 302 2HD ARG 46 1HD ARG 46 1.317 -3.875 -21.762 303 HE ARG 46 HE ARG 46 3.197 -2.491 -21.489 304 1HH1 ARG 46 1HH2 ARG 46 3.518 -3.111 -18.558 305 2HH1 ARG 46 2HH2 ARG 46 3.381 -1.538 -17.847 306 1HH2 ARG 46 1HH1 ARG 46 1.977 -0.094 -20.669 307 2HH2 ARG 46 2HH1 ARG 46 2.506 0.170 -19.042 308 H ILE 47 H ILE 47 -1.845 -1.548 -23.938 309 HA ILE 47 HA ILE 47 -4.478 -2.770 -24.641 310 HB ILE 47 HB ILE 47 -4.773 -0.347 -24.694 311 1HG1 ILE 47 2HG1 ILE 47 -4.558 -0.474 -27.542 312 2HG1 ILE 47 1HG1 ILE 47 -5.014 -2.078 -26.965 313 1HG2 ILE 47 1HG2 ILE 47 -2.081 -0.302 -25.330 314 2HG2 ILE 47 2HG2 ILE 47 -3.162 1.090 -25.380 315 3HG2 ILE 47 3HG2 ILE 47 -2.847 0.164 -26.848 316 1HD1 ILE 47 1HD1 ILE 47 -6.998 -1.317 -26.007 317 2HD1 ILE 47 2HD1 ILE 47 -6.880 -0.278 -27.426 318 3HD1 ILE 47 3HD1 ILE 47 -6.405 0.334 -25.842 319 H ALA 48 H ALA 48 -3.405 -4.653 -25.400 320 HA ALA 48 HA ALA 48 -1.101 -4.874 -26.926 321 1HB ALA 48 1HB ALA 48 -1.770 -7.016 -27.075 322 2HB ALA 48 2HB ALA 48 -3.137 -6.563 -28.092 323 3HB ALA 48 3HB ALA 48 -3.298 -6.540 -26.337 324 H LYS 49 H LYS 49 -0.646 -4.829 -29.185 325 HA LYS 49 HA LYS 49 -2.654 -3.377 -30.834 326 1HB LYS 49 2HB LYS 49 0.318 -2.992 -30.777 327 2HB LYS 49 1HB LYS 49 -0.775 -2.176 -31.891 328 1HG LYS 49 2HG LYS 49 -1.991 -1.590 -29.547 329 2HG LYS 49 1HG LYS 49 -0.323 -1.707 -28.989 330 1HD LYS 49 2HD LYS 49 -0.596 -0.217 -31.503 331 2HD LYS 49 1HD LYS 49 -1.454 0.529 -30.154 332 1HE LYS 49 2HE LYS 49 1.267 -0.466 -29.536 333 2HE LYS 49 1HE LYS 49 1.194 0.910 -30.635 334 1HZ LYS 49 1HZ LYS 49 0.723 2.235 -28.945 335 2HZ LYS 49 2HZ LYS 49 0.907 0.927 -27.874 336 3HZ LYS 49 3HZ LYS 49 -0.623 1.295 -28.517 337 H GLY 50 H GLY 50 0.239 -5.372 -30.936 338 1HA GLY 50 2HA GLY 50 0.087 -6.088 -33.682 339 2HA GLY 50 1HA GLY 50 0.919 -7.030 -32.448 340 H ASP 51 H ASP 51 0.060 -8.994 -31.997 341 HA ASP 51 HA ASP 51 -2.816 -9.448 -32.524 342 1HB ASP 51 2HB ASP 51 -0.789 -10.440 -34.135 343 2HB ASP 51 1HB ASP 51 -1.168 -11.779 -33.055 344 H TRP 52 H TRP 52 -3.560 -9.784 -30.473 345 HA TRP 52 HA TRP 52 -2.938 -12.134 -29.017 346 1HB TRP 52 2HB TRP 52 -1.897 -10.535 -27.037 347 2HB TRP 52 1HB TRP 52 -0.936 -11.559 -28.100 348 HD1 TRP 52 HD1 TRP 52 -2.634 -8.171 -28.886 349 HE1 TRP 52 HE1 TRP 52 -0.839 -6.562 -29.776 350 HE3 TRP 52 HE3 TRP 52 1.517 -11.103 -28.372 351 HZ2 TRP 52 HZ2 TRP 52 1.982 -6.510 -30.208 352 HZ3 TRP 52 HZ3 TRP 52 3.746 -10.242 -29.029 353 HH2 TRP 52 HH2 TRP 52 3.982 -7.949 -29.947 354 H ASN 53 H ASN 53 -3.456 -11.381 -26.410 355 HA ASN 53 HA ASN 53 -6.189 -10.237 -26.686 356 1HB ASN 53 2HB ASN 53 -4.977 -12.318 -25.048 357 2HB ASN 53 1HB ASN 53 -5.845 -11.144 -24.058 358 1HD2 ASN 53 1HD2 ASN 53 -6.342 -14.019 -25.595 359 2HD2 ASN 53 2HD2 ASN 53 -7.989 -13.869 -25.975 360 H ASP 54 H ASP 54 -6.887 -8.848 -24.743 361 HA ASP 54 HA ASP 54 -4.963 -6.684 -24.443 362 1HB ASP 54 2HB ASP 54 -7.381 -6.785 -22.735 363 2HB ASP 54 1HB ASP 54 -6.709 -5.435 -23.639 364 H ASP 55 H ASP 55 -3.875 -6.072 -22.537 365 HA ASP 55 HA ASP 55 -3.380 -8.260 -20.652 366 1HB ASP 55 2HB ASP 55 -1.843 -6.185 -21.620 367 2HB ASP 55 1HB ASP 55 -2.234 -5.661 -19.985 368 H ARG 56 H ARG 56 -4.598 -8.546 -18.866 369 HA ARG 56 HA ARG 56 -5.995 -6.177 -17.716 370 1HB ARG 56 2HB ARG 56 -6.759 -8.993 -17.107 371 2HB ARG 56 1HB ARG 56 -7.755 -7.547 -17.062 372 1HG ARG 56 2HG ARG 56 -6.774 -7.849 -19.730 373 2HG ARG 56 1HG ARG 56 -7.440 -9.400 -19.218 374 1HD ARG 56 2HD ARG 56 -9.524 -8.270 -18.520 375 2HD ARG 56 1HD ARG 56 -8.860 -6.725 -19.052 376 HE ARG 56 HE ARG 56 -8.760 -8.603 -21.217 377 1HH1 ARG 56 1HH2 ARG 56 -10.110 -5.738 -20.411 378 2HH1 ARG 56 2HH2 ARG 56 -11.646 -5.996 -21.169 379 1HH2 ARG 56 1HH1 ARG 56 -11.101 -9.374 -21.727 380 2HH2 ARG 56 2HH1 ARG 56 -12.207 -8.054 -21.912 381 H CYS 57 H CYS 57 -5.962 -5.956 -15.398 382 HA CYS 57 HA CYS 57 -3.550 -7.124 -14.169 383 1HB CYS 57 2HB CYS 57 -5.482 -5.314 -12.737 384 2HB CYS 57 1HB CYS 57 -3.735 -5.447 -12.539 385 H THR 58 H THR 58 -3.821 -8.040 -11.925 386 HA THR 58 HA THR 58 -6.103 -9.901 -11.919 387 HB THR 58 HB THR 58 -4.920 -10.985 -10.058 388 HG1 THR 58 HG1 THR 58 -2.972 -8.957 -10.349 389 1HG2 THR 58 1HG2 THR 58 -4.217 -11.386 -12.445 390 2HG2 THR 58 2HG2 THR 58 -2.943 -11.677 -11.261 391 3HG2 THR 58 3HG2 THR 58 -2.943 -10.190 -12.209 392 H GLY 59 H GLY 59 -6.825 -10.278 -9.389 393 1HA GLY 59 2HA GLY 59 -7.926 -7.630 -8.606 394 2HA GLY 59 1HA GLY 59 -8.583 -9.193 -8.120 395 H GLN 60 H GLN 60 -5.143 -8.759 -7.975 396 HA GLN 60 HA GLN 60 -5.305 -8.216 -5.049 397 1HB GLN 60 2HB GLN 60 -3.844 -10.044 -4.523 398 2HB GLN 60 1HB GLN 60 -5.129 -10.698 -5.542 399 1HG GLN 60 2HG GLN 60 -3.466 -10.087 -7.501 400 2HG GLN 60 1HG GLN 60 -2.255 -10.175 -6.222 401 1HE2 GLN 60 1HE2 GLN 60 -3.622 -12.277 -4.681 402 2HE2 GLN 60 2HE2 GLN 60 -3.482 -13.709 -5.581 403 H SER 61 H SER 61 -3.584 -7.852 -8.061 404 HA SER 61 HA SER 61 -1.417 -6.424 -6.575 405 1HB SER 61 2HB SER 61 -0.867 -8.458 -8.100 406 2HB SER 61 1HB SER 61 -1.176 -7.350 -9.433 407 HG SER 61 HG SER 61 1.031 -7.368 -8.768 408 H ALA 62 H ALA 62 -0.388 -4.701 -8.186 409 HA ALA 62 HA ALA 62 -2.645 -3.185 -9.431 410 1HB ALA 62 1HB ALA 62 -1.750 -2.256 -7.222 411 2HB ALA 62 2HB ALA 62 -1.742 -1.138 -8.586 412 3HB ALA 62 3HB ALA 62 -0.246 -1.924 -8.082 413 H ASP 63 H ASP 63 0.818 -3.934 -9.474 414 HA ASP 63 HA ASP 63 1.500 -2.415 -11.793 415 1HB ASP 63 2HB ASP 63 2.658 -4.969 -10.709 416 2HB ASP 63 1HB ASP 63 3.393 -4.037 -12.006 417 H CYS 64 H CYS 64 2.135 -3.541 -13.933 418 HA CYS 64 HA CYS 64 0.051 -5.572 -14.612 419 1HB CYS 64 2HB CYS 64 -0.625 -3.480 -15.583 420 2HB CYS 64 1HB CYS 64 0.983 -3.198 -16.239 421 HA PRO 65 HA PRO 65 3.779 -7.663 -15.825 422 1HB PRO 65 2HB PRO 65 2.571 -10.117 -15.785 423 2HB PRO 65 1HB PRO 65 3.206 -9.330 -14.341 424 1HG PRO 65 2HG PRO 65 0.394 -9.759 -15.176 425 2HG PRO 65 1HG PRO 65 1.043 -9.432 -13.560 426 1HD PRO 65 2HD PRO 65 -0.242 -7.571 -15.306 427 2HD PRO 65 1HD PRO 65 0.550 -7.209 -13.759 428 H ARG 66 H ARG 66 4.167 -9.313 -17.666 429 HA ARG 66 HA ARG 66 2.227 -8.880 -19.870 430 1HB ARG 66 2HB ARG 66 5.245 -9.024 -20.090 431 2HB ARG 66 1HB ARG 66 4.123 -8.796 -21.432 432 1HG ARG 66 2HG ARG 66 3.429 -6.837 -19.531 433 2HG ARG 66 1HG ARG 66 5.191 -6.825 -19.600 434 1HD ARG 66 2HD ARG 66 4.279 -5.295 -21.284 435 2HD ARG 66 1HD ARG 66 5.075 -6.655 -22.074 436 HE ARG 66 HE ARG 66 2.432 -7.463 -21.873 437 1HH1 ARG 66 1HH2 ARG 66 4.411 -5.518 -23.789 438 2HH1 ARG 66 2HH2 ARG 66 3.121 -4.835 -24.722 439 1HH2 ARG 66 1HH1 ARG 66 0.616 -6.241 -22.780 440 2HH2 ARG 66 2HH1 ARG 66 0.973 -5.243 -24.152 441 H TYR 67 H TYR 67 1.771 -10.703 -21.144 442 HA TYR 67 HA TYR 67 3.377 -13.086 -21.090 443 1HB TYR 67 2HB TYR 67 1.907 -14.538 -19.805 444 2HB TYR 67 1HB TYR 67 2.385 -13.173 -18.796 445 HD1 TYR 67 HD1 TYR 67 -0.362 -15.055 -20.017 446 HD2 TYR 67 HD2 TYR 67 0.789 -11.075 -18.884 447 HE1 TYR 67 HE1 TYR 67 -2.746 -14.458 -19.693 448 HE2 TYR 67 HE2 TYR 67 -1.597 -10.477 -18.559 449 HH TYR 67 HH TYR 67 -3.695 -11.183 -18.634 450 H HIS 68 HN HIS 68 1.908 -11.320 -22.966 451 HA HIS 68 HA HIS 68 -0.157 -13.172 -24.032 452 1HB HIS 68 2HB HIS 68 0.518 -10.281 -24.477 453 2HB HIS 68 1HB HIS 68 -0.346 -11.163 -25.736 454 HD1 HIS 68 HD1 HIS 68 -1.998 -13.009 -23.763 455 HD2 HIS 68 HD2 HIS 68 -1.720 -8.856 -23.510 456 HE1 HIS 68 HE1 HIS 68 -4.038 -12.231 -22.481 Start of MODEL 12 1 1H GLY 1 1HT GLY 1 10.466 -10.784 -0.888 2 2H GLY 1 2HT GLY 1 10.672 -9.370 0.031 3 3H GLY 1 3HT GLY 1 11.595 -9.616 -1.373 4 1HA GLY 1 1HA GLY 1 9.363 -9.699 -2.592 5 2HA GLY 1 2HA GLY 1 8.735 -8.935 -1.132 6 H LYS 2 H LYS 2 8.481 -6.803 -1.646 7 HA LYS 2 HA LYS 2 10.798 -5.425 -2.949 8 1HB LYS 2 2HB LYS 2 7.833 -4.810 -3.143 9 2HB LYS 2 1HB LYS 2 9.109 -3.793 -3.813 10 1HG LYS 2 2HG LYS 2 8.965 -5.055 -5.680 11 2HG LYS 2 1HG LYS 2 9.732 -6.342 -4.750 12 1HD LYS 2 2HD LYS 2 7.347 -6.895 -3.915 13 2HD LYS 2 1HD LYS 2 6.794 -5.897 -5.261 14 1HE LYS 2 2HE LYS 2 6.986 -7.748 -6.541 15 2HE LYS 2 1HE LYS 2 8.732 -7.525 -6.413 16 1HZ LYS 2 1HZ LYS 2 7.252 -8.932 -4.290 17 2HZ LYS 2 2HZ LYS 2 8.892 -9.054 -4.714 18 3HZ LYS 2 3HZ LYS 2 7.702 -9.756 -5.703 19 H GLU 3 H GLU 3 11.283 -3.291 -2.137 20 HA GLU 3 HA GLU 3 10.078 -2.735 0.548 21 1HB GLU 3 2HB GLU 3 12.472 -1.572 0.820 22 2HB GLU 3 1HB GLU 3 12.229 -3.281 1.182 23 1HG GLU 3 2HG GLU 3 13.120 -3.957 -0.924 24 2HG GLU 3 1HG GLU 3 13.047 -2.315 -1.564 25 H CYS 4 H CYS 4 8.777 -1.568 -1.451 26 HA CYS 4 HA CYS 4 8.967 1.195 -0.957 27 1HB CYS 4 2HB CYS 4 11.098 0.820 -2.339 28 2HB CYS 4 1HB CYS 4 9.997 0.633 -3.682 29 H ASP 5 H ASP 5 6.785 0.065 -0.788 30 HA ASP 5 HA ASP 5 5.168 -0.799 -2.827 31 1HB ASP 5 2HB ASP 5 4.591 -0.253 -0.348 32 2HB ASP 5 1HB ASP 5 4.129 1.331 -0.973 33 H CYS 6 H CYS 6 6.406 2.449 -2.394 34 HA CYS 6 HA CYS 6 5.588 3.134 -5.109 35 1HB CYS 6 2HB CYS 6 3.585 3.986 -4.487 36 2HB CYS 6 1HB CYS 6 4.023 3.978 -2.790 37 H SER 7 H SER 7 6.437 5.367 -5.678 38 HA SER 7 HA SER 7 8.738 6.108 -3.919 39 1HB SER 7 2HB SER 7 9.907 6.678 -6.150 40 2HB SER 7 1HB SER 7 9.770 4.975 -5.719 41 HG SER 7 HG SER 7 9.061 5.161 -7.801 42 H SER 8 H SER 8 5.967 7.140 -5.615 43 HA SER 8 HA SER 8 6.768 9.834 -6.235 44 1HB SER 8 2HB SER 8 4.117 10.102 -5.960 45 2HB SER 8 1HB SER 8 4.835 9.323 -7.367 46 HG SER 8 HG SER 8 3.935 7.535 -6.753 47 HA PRO 9 HA PRO 9 6.717 11.099 -1.929 48 1HB PRO 9 2HB PRO 9 7.871 13.547 -2.406 49 2HB PRO 9 1HB PRO 9 8.792 12.039 -2.267 50 1HG PRO 9 2HG PRO 9 8.122 13.613 -4.710 51 2HG PRO 9 1HG PRO 9 9.491 12.528 -4.414 52 1HD PRO 9 2HD PRO 9 7.171 11.897 -5.907 53 2HD PRO 9 1HD PRO 9 8.381 10.737 -5.318 54 H GLU 10 H GLU 10 5.000 12.290 -4.598 55 HA GLU 10 HA GLU 10 3.722 14.497 -3.086 56 1HB GLU 10 2HB GLU 10 4.366 14.438 -5.663 57 2HB GLU 10 1HB GLU 10 2.805 13.628 -5.804 58 1HG GLU 10 2HG GLU 10 2.496 16.034 -6.085 59 2HG GLU 10 1HG GLU 10 1.751 15.521 -4.571 60 H ASN 11 H ASN 11 2.958 11.356 -4.531 61 HA ASN 11 HA ASN 11 0.180 11.340 -3.913 62 1HB ASN 11 2HB ASN 11 0.786 9.683 -5.422 63 2HB ASN 11 1HB ASN 11 2.253 9.274 -4.541 64 1HD2 ASN 11 1HD2 ASN 11 1.926 7.075 -4.080 65 2HD2 ASN 11 2HD2 ASN 11 0.582 6.468 -3.243 66 HA PRO 12 HA PRO 12 0.695 10.901 0.511 67 1HB PRO 12 2HB PRO 12 -1.982 11.072 1.087 68 2HB PRO 12 1HB PRO 12 -0.964 12.479 0.736 69 1HG PRO 12 2HG PRO 12 -3.018 11.176 -0.984 70 2HG PRO 12 1HG PRO 12 -2.432 12.847 -1.006 71 1HD PRO 12 2HD PRO 12 -1.676 10.780 -2.803 72 2HD PRO 12 1HD PRO 12 -0.900 12.370 -2.638 73 H CYS 13 H CYS 13 0.496 8.463 -1.251 74 HA CYS 13 HA CYS 13 -0.997 6.706 0.649 75 1HB CYS 13 2HB CYS 13 -1.619 7.032 -2.002 76 2HB CYS 13 1HB CYS 13 -0.539 5.640 -2.043 77 H CYS 14 H CYS 14 1.952 7.653 0.279 78 HA CYS 14 HA CYS 14 3.073 5.090 1.025 79 1HB CYS 14 2HB CYS 14 4.795 5.167 -0.895 80 2HB CYS 14 1HB CYS 14 3.177 4.581 -1.276 81 H ASP 15 H ASP 15 4.751 5.444 2.359 82 HA ASP 15 HA ASP 15 5.633 8.149 2.896 83 1HB ASP 15 2HB ASP 15 5.471 5.996 4.434 84 2HB ASP 15 1HB ASP 15 7.119 5.782 3.870 85 H ALA 16 H ALA 16 7.722 9.017 2.487 86 HA ALA 16 HA ALA 16 9.098 7.775 0.198 87 1HB ALA 16 1HB ALA 16 8.411 10.214 0.196 88 2HB ALA 16 2HB ALA 16 10.111 9.922 -0.165 89 3HB ALA 16 3HB ALA 16 9.634 10.479 1.439 90 H ALA 17 H ALA 17 9.558 8.432 3.591 91 HA ALA 17 HA ALA 17 12.460 7.995 3.467 92 1HB ALA 17 1HB ALA 17 11.725 7.780 6.129 93 2HB ALA 17 2HB ALA 17 10.512 8.878 5.469 94 3HB ALA 17 3HB ALA 17 12.227 9.266 5.322 95 H THR 18 H THR 18 9.635 6.039 3.762 96 HA THR 18 HA THR 18 11.356 3.755 4.651 97 HB THR 18 HB THR 18 9.168 2.710 5.392 98 HG1 THR 18 HG1 THR 18 7.398 3.794 5.147 99 1HG2 THR 18 1HG2 THR 18 9.636 5.330 6.800 100 2HG2 THR 18 2HG2 THR 18 10.848 4.050 6.844 101 3HG2 THR 18 3HG2 THR 18 9.236 3.760 7.498 102 H CYS 19 H CYS 19 9.956 5.063 1.971 103 HA CYS 19 HA CYS 19 9.142 4.155 -0.053 104 1HB CYS 19 2HB CYS 19 11.534 2.760 0.762 105 2HB CYS 19 1HB CYS 19 10.492 1.708 -0.167 106 H LYS 20 H LYS 20 7.005 3.789 0.936 107 HA LYS 20 HA LYS 20 6.016 1.165 0.456 108 1HB LYS 20 2HB LYS 20 6.842 1.746 3.263 109 2HB LYS 20 1HB LYS 20 5.307 0.912 3.017 110 1HG LYS 20 2HG LYS 20 6.927 -0.443 1.279 111 2HG LYS 20 1HG LYS 20 8.056 -0.060 2.580 112 1HD LYS 20 2HD LYS 20 5.935 -0.858 4.052 113 2HD LYS 20 1HD LYS 20 5.675 -1.835 2.606 114 1HE LYS 20 2HE LYS 20 7.868 -2.812 2.777 115 2HE LYS 20 1HE LYS 20 8.330 -1.685 4.054 116 1HZ LYS 20 1HZ LYS 20 7.747 -3.764 5.040 117 2HZ LYS 20 2HZ LYS 20 6.264 -3.812 4.212 118 3HZ LYS 20 3HZ LYS 20 6.528 -2.647 5.421 119 H LEU 21 H LEU 21 3.740 1.072 1.973 120 HA LEU 21 HA LEU 21 2.310 3.440 0.986 121 1HB LEU 21 2HB LEU 21 1.517 0.805 2.181 122 2HB LEU 21 1HB LEU 21 0.352 2.130 2.174 123 HG LEU 21 HG LEU 21 1.827 1.494 -0.358 124 1HD1 LEU 21 1HD1 LEU 21 0.902 -0.545 -0.564 125 2HD1 LEU 21 2HD1 LEU 21 -0.698 0.152 -0.315 126 3HD1 LEU 21 3HD1 LEU 21 0.247 -0.403 1.067 127 1HD2 LEU 21 1HD2 LEU 21 -0.972 1.975 -0.643 128 2HD2 LEU 21 2HD2 LEU 21 0.362 3.024 -1.118 129 3HD2 LEU 21 3HD2 LEU 21 -0.338 3.164 0.495 130 H ARG 22 H ARG 22 1.619 5.133 2.256 131 HA ARG 22 HA ARG 22 2.560 5.188 5.027 132 1HB ARG 22 2HB ARG 22 2.837 7.274 4.031 133 2HB ARG 22 1HB ARG 22 1.302 7.198 3.180 134 1HG ARG 22 2HG ARG 22 1.130 7.144 6.141 135 2HG ARG 22 1HG ARG 22 1.688 8.661 5.434 136 1HD ARG 22 2HD ARG 22 -0.371 8.195 3.786 137 2HD ARG 22 1HD ARG 22 -0.966 7.322 5.198 138 HE ARG 22 HE ARG 22 -0.544 10.236 5.015 139 1HH1 ARG 22 1HH2 ARG 22 0.410 8.625 7.573 140 2HH1 ARG 22 2HH2 ARG 22 -0.922 8.972 8.623 141 1HH2 ARG 22 1HH1 ARG 22 -2.949 10.184 6.084 142 2HH2 ARG 22 2HH1 ARG 22 -2.826 9.854 7.780 143 HA PRO 23 HA PRO 23 -2.134 5.192 5.875 144 1HB PRO 23 2HB PRO 23 -3.822 4.751 3.757 145 2HB PRO 23 1HB PRO 23 -3.286 6.366 4.249 146 1HG PRO 23 2HG PRO 23 -2.443 4.748 1.896 147 2HG PRO 23 1HG PRO 23 -2.420 6.505 2.114 148 1HD PRO 23 2HD PRO 23 -0.190 4.754 2.321 149 2HD PRO 23 1HD PRO 23 -0.240 6.465 2.789 150 H GLY 24 H GLY 24 -4.131 3.394 5.138 151 1HA GLY 24 2HA GLY 24 -2.719 0.805 5.434 152 2HA GLY 24 1HA GLY 24 -4.442 1.075 5.704 153 H ALA 25 H ALA 25 -3.276 2.567 2.883 154 HA ALA 25 HA ALA 25 -4.953 1.093 1.134 155 1HB ALA 25 1HB ALA 25 -3.877 2.301 -0.652 156 2HB ALA 25 2HB ALA 25 -2.448 2.599 0.338 157 3HB ALA 25 3HB ALA 25 -3.972 3.395 0.728 158 H GLN 26 H GLN 26 -4.494 -0.588 -0.342 159 HA GLN 26 HA GLN 26 -2.327 -2.383 0.460 160 1HB GLN 26 2HB GLN 26 -3.357 -3.982 -0.926 161 2HB GLN 26 1HB GLN 26 -4.721 -2.996 -0.401 162 1HG GLN 26 2HG GLN 26 -5.076 -3.117 -2.708 163 2HG GLN 26 1HG GLN 26 -4.198 -1.595 -2.555 164 1HE2 GLN 26 1HE2 GLN 26 -3.778 -2.401 -4.987 165 2HE2 GLN 26 2HE2 GLN 26 -2.352 -3.292 -5.206 166 H CYS 27 H CYS 27 -2.764 0.147 -1.792 167 HA CYS 27 HA CYS 27 -0.062 -0.223 -2.829 168 1HB CYS 27 2HB CYS 27 -0.771 -0.146 -5.187 169 2HB CYS 27 1HB CYS 27 -1.397 -1.584 -4.381 170 H GLY 28 H GLY 28 0.837 1.785 -3.239 171 1HA GLY 28 2HA GLY 28 -1.021 4.106 -3.006 172 2HA GLY 28 1HA GLY 28 0.701 4.155 -2.633 173 H GLU 29 H GLU 29 0.540 2.330 -5.348 174 HA GLU 29 HA GLU 29 -0.018 4.190 -7.429 175 1HB GLU 29 2HB GLU 29 1.896 5.388 -6.304 176 2HB GLU 29 1HB GLU 29 2.926 4.026 -6.733 177 1HG GLU 29 2HG GLU 29 1.298 5.528 -8.788 178 2HG GLU 29 1HG GLU 29 2.938 6.008 -8.352 179 H GLY 30 H GLY 30 -0.355 2.833 -9.108 180 1HA GLY 30 2HA GLY 30 1.614 0.986 -10.069 181 2HA GLY 30 1HA GLY 30 0.345 0.110 -9.208 182 H LEU 31 H LEU 31 0.769 -0.193 -12.015 183 HA LEU 31 HA LEU 31 -0.989 1.481 -13.554 184 1HB LEU 31 2HB LEU 31 0.495 -0.996 -13.982 185 2HB LEU 31 1HB LEU 31 -0.988 -0.889 -14.916 186 HG LEU 31 HG LEU 31 1.196 1.213 -14.833 187 1HD1 LEU 31 1HD1 LEU 31 0.631 -1.112 -16.595 188 2HD1 LEU 31 2HD1 LEU 31 2.164 -0.317 -16.239 189 3HD1 LEU 31 3HD1 LEU 31 1.053 0.395 -17.409 190 1HD2 LEU 31 1HD2 LEU 31 -1.554 1.082 -15.984 191 2HD2 LEU 31 2HD2 LEU 31 -0.304 1.841 -16.971 192 3HD2 LEU 31 3HD2 LEU 31 -0.662 2.471 -15.363 193 H CYS 32 H CYS 32 -1.504 -1.071 -11.345 194 HA CYS 32 HA CYS 32 -4.384 -1.196 -12.141 195 1HB CYS 32 2HB CYS 32 -3.108 -3.458 -10.651 196 2HB CYS 32 1HB CYS 32 -4.449 -3.488 -11.795 197 H CYS 33 H CYS 33 -2.768 0.452 -10.122 198 HA CYS 33 HA CYS 33 -3.885 -0.564 -7.581 199 1HB CYS 33 2HB CYS 33 -1.624 0.298 -7.456 200 2HB CYS 33 1HB CYS 33 -2.114 1.818 -8.200 201 H GLU 34 H GLU 34 -6.078 -0.174 -7.567 202 HA GLU 34 HA GLU 34 -7.389 2.075 -8.707 203 1HB GLU 34 2HB GLU 34 -8.244 -0.203 -7.544 204 2HB GLU 34 1HB GLU 34 -8.516 0.930 -6.225 205 1HG GLU 34 2HG GLU 34 -10.149 2.080 -7.355 206 2HG GLU 34 1HG GLU 34 -9.394 1.804 -8.926 207 H GLN 35 H GLN 35 -8.840 3.318 -6.655 208 HA GLN 35 HA GLN 35 -7.033 5.320 -5.776 209 1HB GLN 35 2HB GLN 35 -9.847 4.622 -5.295 210 2HB GLN 35 1HB GLN 35 -9.078 5.424 -3.925 211 1HG GLN 35 2HG GLN 35 -10.006 7.133 -5.369 212 2HG GLN 35 1HG GLN 35 -8.249 7.189 -5.509 213 1HE2 GLN 35 1HE2 GLN 35 -7.274 6.314 -7.497 214 2HE2 GLN 35 2HE2 GLN 35 -8.209 6.090 -8.896 215 H CYS 36 H CYS 36 -5.236 4.249 -4.795 216 HA CYS 36 HA CYS 36 -4.036 3.251 -3.046 217 1HB CYS 36 2HB CYS 36 -6.295 4.671 -1.637 218 2HB CYS 36 1HB CYS 36 -5.055 3.800 -0.742 219 H LYS 37 H LYS 37 -5.660 1.425 -4.404 220 HA LYS 37 HA LYS 37 -6.049 -0.592 -2.328 221 1HB LYS 37 2HB LYS 37 -8.281 0.984 -3.118 222 2HB LYS 37 1HB LYS 37 -8.494 -0.612 -3.840 223 1HG LYS 37 2HG LYS 37 -8.636 -1.672 -1.795 224 2HG LYS 37 1HG LYS 37 -7.597 -0.493 -0.994 225 1HD LYS 37 2HD LYS 37 -10.444 0.026 -1.904 226 2HD LYS 37 1HD LYS 37 -9.952 -0.297 -0.241 227 1HE LYS 37 2HE LYS 37 -8.302 1.793 -1.344 228 2HE LYS 37 1HE LYS 37 -10.002 2.207 -1.559 229 1HZ LYS 37 1HZ LYS 37 -10.198 2.612 0.595 230 2HZ LYS 37 2HZ LYS 37 -8.519 2.409 0.758 231 3HZ LYS 37 3HZ LYS 37 -9.564 1.094 1.008 232 H PHE 38 H PHE 38 -6.821 -2.705 -3.421 233 HA PHE 38 HA PHE 38 -5.196 -3.146 -5.793 234 1HB PHE 38 2HB PHE 38 -6.846 -4.797 -3.961 235 2HB PHE 38 1HB PHE 38 -6.680 -5.404 -5.606 236 HD1 PHE 38 HD1 PHE 38 -4.109 -4.970 -6.537 237 HD2 PHE 38 HD2 PHE 38 -5.283 -5.661 -2.463 238 HE1 PHE 38 HE1 PHE 38 -1.833 -5.809 -6.021 239 HE2 PHE 38 HE2 PHE 38 -3.007 -6.499 -1.949 240 HZ PHE 38 HZ PHE 38 -1.282 -6.573 -3.728 241 H SER 39 H SER 39 -5.873 -2.639 -7.823 242 HA SER 39 HA SER 39 -8.530 -1.860 -8.472 243 1HB SER 39 2HB SER 39 -7.842 -2.164 -10.832 244 2HB SER 39 1HB SER 39 -6.604 -1.310 -9.916 245 HG SER 39 HG SER 39 -6.639 -4.118 -10.340 246 H ARG 40 H ARG 40 -10.040 -3.123 -9.913 247 HA ARG 40 HA ARG 40 -10.183 -5.882 -8.922 248 1HB ARG 40 2HB ARG 40 -12.453 -5.874 -9.920 249 2HB ARG 40 1HB ARG 40 -12.220 -4.507 -8.830 250 1HG ARG 40 2HG ARG 40 -11.699 -3.057 -10.763 251 2HG ARG 40 1HG ARG 40 -11.955 -4.421 -11.850 252 1HD ARG 40 2HD ARG 40 -13.995 -3.131 -11.813 253 2HD ARG 40 1HD ARG 40 -14.291 -4.619 -10.913 254 HE ARG 40 HE ARG 40 -13.573 -2.101 -9.475 255 1HH1 ARG 40 1HH2 ARG 40 -14.208 -4.822 -8.182 256 2HH1 ARG 40 2HH2 ARG 40 -15.835 -4.550 -7.653 257 1HH2 ARG 40 1HH1 ARG 40 -16.283 -1.728 -9.618 258 2HH2 ARG 40 2HH1 ARG 40 -17.011 -2.798 -8.467 259 H ALA 41 H ALA 41 -9.997 -7.689 -10.262 260 HA ALA 41 HA ALA 41 -8.377 -7.716 -12.504 261 1HB ALA 41 1HB ALA 41 -9.679 -9.650 -11.176 262 2HB ALA 41 2HB ALA 41 -9.025 -9.915 -12.793 263 3HB ALA 41 3HB ALA 41 -10.738 -9.546 -12.583 264 H GLY 42 H GLY 42 -9.008 -8.056 -14.846 265 1HA GLY 42 2HA GLY 42 -10.315 -7.510 -16.746 266 2HA GLY 42 1HA GLY 42 -11.582 -6.952 -15.661 267 H LYS 43 H LYS 43 -8.370 -5.805 -15.065 268 HA LYS 43 HA LYS 43 -9.235 -3.111 -15.937 269 1HB LYS 43 2HB LYS 43 -8.515 -3.055 -13.678 270 2HB LYS 43 1HB LYS 43 -7.137 -4.100 -14.009 271 1HG LYS 43 2HG LYS 43 -6.179 -1.944 -13.822 272 2HG LYS 43 1HG LYS 43 -6.309 -2.185 -15.557 273 1HD LYS 43 2HD LYS 43 -7.648 -0.388 -15.738 274 2HD LYS 43 1HD LYS 43 -8.783 -1.093 -14.587 275 1HE LYS 43 2HE LYS 43 -6.730 -0.283 -12.941 276 2HE LYS 43 1HE LYS 43 -6.741 0.984 -14.168 277 1HZ LYS 43 1HZ LYS 43 -8.304 1.754 -12.706 278 2HZ LYS 43 2HZ LYS 43 -8.851 0.204 -12.280 279 3HZ LYS 43 3HZ LYS 43 -9.294 0.883 -13.773 280 H ILE 44 H ILE 44 -8.374 -2.273 -17.793 281 HA ILE 44 HA ILE 44 -6.272 -3.760 -19.174 282 HB ILE 44 HB ILE 44 -8.188 -1.647 -19.831 283 1HG1 ILE 44 2HG1 ILE 44 -8.342 -3.923 -20.693 284 2HG1 ILE 44 1HG1 ILE 44 -8.057 -2.809 -22.031 285 1HG2 ILE 44 1HG2 ILE 44 -6.242 -0.261 -20.191 286 2HG2 ILE 44 2HG2 ILE 44 -6.788 -0.826 -21.771 287 3HG2 ILE 44 3HG2 ILE 44 -5.395 -1.582 -20.997 288 1HD1 ILE 44 1HD1 ILE 44 -6.208 -3.967 -22.578 289 2HD1 ILE 44 2HD1 ILE 44 -6.449 -5.037 -21.197 290 3HD1 ILE 44 3HD1 ILE 44 -5.510 -3.556 -21.012 291 H CYS 45 H CYS 45 -4.236 -3.529 -18.454 292 HA CYS 45 HA CYS 45 -3.375 -0.951 -17.265 293 1HB CYS 45 2HB CYS 45 -1.191 -2.369 -16.925 294 2HB CYS 45 1HB CYS 45 -2.580 -2.613 -15.885 295 H ARG 46 H ARG 46 -3.321 -2.487 -20.272 296 HA ARG 46 HA ARG 46 -1.801 -0.377 -21.456 297 1HB ARG 46 2HB ARG 46 -0.227 -2.490 -20.328 298 2HB ARG 46 1HB ARG 46 -0.081 -2.553 -22.085 299 1HG ARG 46 2HG ARG 46 0.633 -0.266 -22.196 300 2HG ARG 46 1HG ARG 46 0.219 0.009 -20.504 301 1HD ARG 46 2HD ARG 46 2.094 -1.077 -19.723 302 2HD ARG 46 1HD ARG 46 2.159 -2.178 -21.099 303 HE ARG 46 HE ARG 46 3.169 -0.346 -22.413 304 1HH1 ARG 46 1HH2 ARG 46 2.076 1.249 -19.742 305 2HH1 ARG 46 2HH2 ARG 46 3.581 1.995 -19.317 306 1HH2 ARG 46 1HH1 ARG 46 5.445 0.129 -21.568 307 2HH2 ARG 46 2HH1 ARG 46 5.487 1.362 -20.351 308 H ILE 47 H ILE 47 -1.035 -1.169 -23.785 309 HA ILE 47 HA ILE 47 -3.191 -2.947 -24.848 310 HB ILE 47 HB ILE 47 -3.624 -0.571 -25.379 311 1HG1 ILE 47 2HG1 ILE 47 -2.651 -1.685 -27.972 312 2HG1 ILE 47 1HG1 ILE 47 -3.825 -2.642 -27.069 313 1HG2 ILE 47 1HG2 ILE 47 -0.777 -0.750 -26.292 314 2HG2 ILE 47 2HG2 ILE 47 -1.593 0.550 -25.423 315 3HG2 ILE 47 3HG2 ILE 47 -1.870 0.335 -27.151 316 1HD1 ILE 47 1HD1 ILE 47 -5.474 -1.285 -27.767 317 2HD1 ILE 47 2HD1 ILE 47 -4.302 -0.327 -28.671 318 3HD1 ILE 47 3HD1 ILE 47 -4.673 0.083 -26.997 319 H ALA 48 H ALA 48 -2.563 -4.359 -26.507 320 HA ALA 48 HA ALA 48 0.309 -4.858 -26.695 321 1HB ALA 48 1HB ALA 48 -0.952 -6.842 -26.449 322 2HB ALA 48 2HB ALA 48 -0.573 -6.813 -28.169 323 3HB ALA 48 3HB ALA 48 -2.170 -6.316 -27.608 324 H LYS 49 H LYS 49 0.668 -5.737 -29.280 325 HA LYS 49 HA LYS 49 0.904 -3.273 -30.775 326 1HB LYS 49 2HB LYS 49 1.333 -6.100 -31.627 327 2HB LYS 49 1HB LYS 49 1.893 -4.686 -32.506 328 1HG LYS 49 2HG LYS 49 2.841 -4.261 -29.931 329 2HG LYS 49 1HG LYS 49 3.050 -5.997 -30.156 330 1HD LYS 49 2HD LYS 49 3.932 -3.994 -32.240 331 2HD LYS 49 1HD LYS 49 4.993 -4.514 -30.929 332 1HE LYS 49 2HE LYS 49 3.690 -6.779 -32.216 333 2HE LYS 49 1HE LYS 49 4.628 -5.826 -33.366 334 1HZ LYS 49 1HZ LYS 49 6.462 -5.903 -31.662 335 2HZ LYS 49 2HZ LYS 49 6.112 -7.370 -32.444 336 3HZ LYS 49 3HZ LYS 49 5.560 -7.096 -30.860 337 H GLY 50 H GLY 50 -0.336 -6.180 -32.316 338 1HA GLY 50 2HA GLY 50 -2.908 -4.909 -32.826 339 2HA GLY 50 1HA GLY 50 -1.912 -5.206 -34.246 340 H ASP 51 H ASP 51 -4.269 -6.531 -32.257 341 HA ASP 51 HA ASP 51 -5.369 -8.605 -32.432 342 1HB ASP 51 2HB ASP 51 -3.712 -8.559 -34.731 343 2HB ASP 51 1HB ASP 51 -3.543 -10.143 -33.977 344 H TRP 52 H TRP 52 -5.136 -9.440 -30.420 345 HA TRP 52 HA TRP 52 -3.690 -11.695 -29.779 346 1HB TRP 52 2HB TRP 52 -1.840 -10.470 -28.283 347 2HB TRP 52 1HB TRP 52 -1.544 -10.900 -29.955 348 HD1 TRP 52 HD1 TRP 52 0.097 -8.993 -30.422 349 HE1 TRP 52 HE1 TRP 52 -0.163 -6.479 -30.706 350 HE3 TRP 52 HE3 TRP 52 -4.618 -8.304 -28.554 351 HZ2 TRP 52 HZ2 TRP 52 -2.106 -4.417 -30.205 352 HZ3 TRP 52 HZ3 TRP 52 -5.628 -6.068 -28.489 353 HH2 TRP 52 HH2 TRP 52 -4.350 -4.121 -29.329 354 H ASN 53 H ASN 53 -2.849 -11.157 -27.082 355 HA ASN 53 HA ASN 53 -5.499 -10.609 -25.870 356 1HB ASN 53 2HB ASN 53 -4.656 -11.762 -23.930 357 2HB ASN 53 1HB ASN 53 -4.216 -12.724 -25.340 358 1HD2 ASN 53 1HD2 ASN 53 -2.868 -12.286 -22.568 359 2HD2 ASN 53 2HD2 ASN 53 -1.258 -11.923 -22.969 360 H ASP 54 H ASP 54 -5.817 -8.768 -24.645 361 HA ASP 54 HA ASP 54 -3.616 -6.823 -24.480 362 1HB ASP 54 2HB ASP 54 -6.496 -6.738 -24.396 363 2HB ASP 54 1HB ASP 54 -5.823 -5.874 -23.017 364 H ASP 55 H ASP 55 -3.217 -5.712 -22.347 365 HA ASP 55 HA ASP 55 -2.697 -7.720 -20.294 366 1HB ASP 55 2HB ASP 55 -2.363 -4.787 -19.874 367 2HB ASP 55 1HB ASP 55 -1.362 -6.104 -19.278 368 H ARG 56 H ARG 56 -4.085 -8.191 -18.639 369 HA ARG 56 HA ARG 56 -6.120 -6.133 -17.914 370 1HB ARG 56 2HB ARG 56 -6.965 -8.083 -19.368 371 2HB ARG 56 1HB ARG 56 -6.707 -9.092 -17.943 372 1HG ARG 56 2HG ARG 56 -8.751 -8.441 -17.254 373 2HG ARG 56 1HG ARG 56 -8.041 -6.854 -16.954 374 1HD ARG 56 2HD ARG 56 -9.990 -6.583 -18.387 375 2HD ARG 56 1HD ARG 56 -8.537 -6.234 -19.326 376 HE ARG 56 HE ARG 56 -8.808 -8.760 -20.034 377 1HH1 ARG 56 1HH2 ARG 56 -10.782 -6.111 -20.494 378 2HH1 ARG 56 2HH2 ARG 56 -12.168 -7.002 -21.029 379 1HH2 ARG 56 1HH1 ARG 56 -10.817 -10.094 -20.229 380 2HH2 ARG 56 2HH1 ARG 56 -12.188 -9.258 -20.879 381 H CYS 57 H CYS 57 -4.929 -5.584 -16.016 382 HA CYS 57 HA CYS 57 -3.679 -7.191 -14.160 383 1HB CYS 57 2HB CYS 57 -5.610 -4.983 -13.411 384 2HB CYS 57 1HB CYS 57 -4.229 -5.550 -12.471 385 H THR 58 H THR 58 -4.377 -8.361 -12.286 386 HA THR 58 HA THR 58 -7.063 -9.548 -12.590 387 HB THR 58 HB THR 58 -6.183 -11.405 -11.638 388 HG1 THR 58 HG1 THR 58 -4.603 -10.054 -9.778 389 1HG2 THR 58 1HG2 THR 58 -3.479 -10.131 -11.444 390 2HG2 THR 58 2HG2 THR 58 -4.232 -10.291 -13.032 391 3HG2 THR 58 3HG2 THR 58 -3.924 -11.726 -12.053 392 H GLY 59 H GLY 59 -7.733 -10.180 -10.003 393 1HA GLY 59 2HA GLY 59 -8.454 -7.508 -8.958 394 2HA GLY 59 1HA GLY 59 -9.180 -9.040 -8.466 395 H GLN 60 H GLN 60 -5.712 -8.827 -8.664 396 HA GLN 60 HA GLN 60 -5.445 -8.214 -5.788 397 1HB GLN 60 2HB GLN 60 -4.398 -10.830 -6.898 398 2HB GLN 60 1HB GLN 60 -4.364 -10.292 -5.219 399 1HG GLN 60 2HG GLN 60 -6.866 -10.255 -5.229 400 2HG GLN 60 1HG GLN 60 -6.833 -10.936 -6.856 401 1HE2 GLN 60 1HE2 GLN 60 -5.380 -11.637 -3.616 402 2HE2 GLN 60 2HE2 GLN 60 -5.554 -13.320 -3.747 403 H SER 61 H SER 61 -4.426 -7.509 -8.733 404 HA SER 61 HA SER 61 -1.538 -7.415 -7.938 405 1HB SER 61 2HB SER 61 -1.512 -8.643 -9.911 406 2HB SER 61 1HB SER 61 -2.902 -7.794 -10.580 407 HG SER 61 HG SER 61 -0.317 -6.690 -10.155 408 H ALA 62 H ALA 62 -0.508 -5.426 -7.956 409 HA ALA 62 HA ALA 62 -2.244 -3.062 -8.518 410 1HB ALA 62 1HB ALA 62 0.311 -2.502 -7.217 411 2HB ALA 62 2HB ALA 62 -0.660 -3.655 -6.303 412 3HB ALA 62 3HB ALA 62 -1.320 -2.069 -6.708 413 H ASP 63 H ASP 63 0.284 -4.865 -9.819 414 HA ASP 63 HA ASP 63 1.106 -2.546 -11.511 415 1HB ASP 63 2HB ASP 63 2.844 -4.865 -10.706 416 2HB ASP 63 1HB ASP 63 3.340 -3.476 -11.663 417 H CYS 64 H CYS 64 1.723 -3.208 -13.743 418 HA CYS 64 HA CYS 64 0.170 -5.625 -14.532 419 1HB CYS 64 2HB CYS 64 -0.527 -3.414 -15.479 420 2HB CYS 64 1HB CYS 64 1.028 -3.322 -16.298 421 HA PRO 65 HA PRO 65 4.052 -7.425 -15.558 422 1HB PRO 65 2HB PRO 65 2.949 -9.809 -16.326 423 2HB PRO 65 1HB PRO 65 3.226 -9.373 -14.640 424 1HG PRO 65 2HG PRO 65 0.680 -9.528 -16.163 425 2HG PRO 65 1HG PRO 65 0.949 -9.641 -14.416 426 1HD PRO 65 2HD PRO 65 -0.010 -7.375 -15.827 427 2HD PRO 65 1HD PRO 65 0.509 -7.422 -14.130 428 H ARG 66 H ARG 66 4.678 -8.912 -17.620 429 HA ARG 66 HA ARG 66 3.872 -7.340 -19.966 430 1HB ARG 66 2HB ARG 66 5.863 -9.591 -20.014 431 2HB ARG 66 1HB ARG 66 5.818 -8.132 -21.006 432 1HG ARG 66 2HG ARG 66 5.972 -7.213 -18.355 433 2HG ARG 66 1HG ARG 66 7.114 -8.554 -18.447 434 1HD ARG 66 2HD ARG 66 8.376 -7.531 -20.139 435 2HD ARG 66 1HD ARG 66 7.052 -6.469 -20.615 436 HE ARG 66 HE ARG 66 8.026 -4.932 -19.129 437 1HH1 ARG 66 1HH1 ARG 66 9.918 -7.478 -18.495 438 2HH1 ARG 66 2HH1 ARG 66 9.958 -7.318 -16.770 439 1HH2 ARG 66 1HH2 ARG 66 7.377 -5.006 -16.658 440 2HH2 ARG 66 2HH2 ARG 66 8.519 -5.920 -15.731 441 H TYR 67 H TYR 67 2.844 -8.247 -21.780 442 HA TYR 67 HA TYR 67 2.429 -11.022 -22.223 443 1HB TYR 67 2HB TYR 67 0.870 -10.079 -20.106 444 2HB TYR 67 1HB TYR 67 -0.221 -10.111 -21.489 445 HD1 TYR 67 HD1 TYR 67 0.047 -11.977 -18.889 446 HD2 TYR 67 HD2 TYR 67 1.109 -12.354 -23.034 447 HE1 TYR 67 HE1 TYR 67 -0.127 -14.445 -18.709 448 HE2 TYR 67 HE2 TYR 67 0.936 -14.821 -22.855 449 HH TYR 67 HH TYR 67 0.704 -16.550 -21.450 450 H HIS 68 HN HIS 68 3.100 -9.514 -24.147 451 HA HIS 68 HA HIS 68 0.588 -8.831 -25.616 452 1HB HIS 68 2HB HIS 68 2.307 -7.118 -26.778 453 2HB HIS 68 1HB HIS 68 1.345 -6.672 -25.371 454 HD1 HIS 68 HD1 HIS 68 4.821 -7.883 -26.289 455 HD2 HIS 68 HD2 HIS 68 2.834 -6.154 -23.057 456 HE1 HIS 68 HE1 HIS 68 6.602 -7.277 -24.593 Start of MODEL 13 1 1H GLY 1 1HT GLY 1 8.442 -4.456 3.287 2 2H GLY 1 2HT GLY 1 7.565 -5.135 4.574 3 3H GLY 1 3HT GLY 1 6.905 -3.854 3.674 4 1HA GLY 1 1HA GLY 1 6.855 -6.664 3.150 5 2HA GLY 1 2HA GLY 1 5.866 -5.378 2.460 6 H LYS 2 H LYS 2 6.063 -5.671 0.270 7 HA LYS 2 HA LYS 2 8.210 -6.764 -1.145 8 1HB LYS 2 2HB LYS 2 6.076 -6.303 -2.222 9 2HB LYS 2 1HB LYS 2 6.320 -4.568 -2.021 10 1HG LYS 2 2HG LYS 2 7.156 -4.717 -4.143 11 2HG LYS 2 1HG LYS 2 8.621 -5.223 -3.300 12 1HD LYS 2 2HD LYS 2 6.642 -7.366 -3.835 13 2HD LYS 2 1HD LYS 2 7.449 -6.696 -5.254 14 1HE LYS 2 2HE LYS 2 8.917 -7.661 -2.785 15 2HE LYS 2 1HE LYS 2 8.656 -8.652 -4.220 16 1HZ LYS 2 1HZ LYS 2 9.766 -6.000 -4.663 17 2HZ LYS 2 2HZ LYS 2 10.136 -7.476 -5.420 18 3HZ LYS 2 3HZ LYS 2 10.785 -7.115 -3.891 19 H GLU 3 H GLU 3 7.809 -3.444 -2.024 20 HA GLU 3 HA GLU 3 10.365 -2.661 -0.772 21 1HB GLU 3 2HB GLU 3 10.272 -3.619 -3.425 22 2HB GLU 3 1HB GLU 3 10.460 -1.869 -3.529 23 1HG GLU 3 2HG GLU 3 12.198 -2.491 -1.500 24 2HG GLU 3 1HG GLU 3 12.352 -3.902 -2.548 25 H CYS 4 H CYS 4 10.720 -0.365 -2.447 26 HA CYS 4 HA CYS 4 9.075 1.474 -1.098 27 1HB CYS 4 2HB CYS 4 11.140 2.218 -2.059 28 2HB CYS 4 1HB CYS 4 10.585 1.788 -3.651 29 H ASP 5 H ASP 5 6.868 0.840 -1.325 30 HA ASP 5 HA ASP 5 5.497 0.199 -3.673 31 1HB ASP 5 2HB ASP 5 4.508 0.170 -1.378 32 2HB ASP 5 1HB ASP 5 4.427 1.932 -1.423 33 H CYS 6 H CYS 6 6.256 3.441 -2.402 34 HA CYS 6 HA CYS 6 6.051 4.515 -5.127 35 1HB CYS 6 2HB CYS 6 3.924 5.206 -4.898 36 2HB CYS 6 1HB CYS 6 3.909 4.779 -3.204 37 H SER 7 H SER 7 6.961 6.735 -5.229 38 HA SER 7 HA SER 7 8.825 7.206 -2.946 39 1HB SER 7 2HB SER 7 9.237 7.079 -5.768 40 2HB SER 7 1HB SER 7 9.603 8.712 -5.223 41 HG SER 7 HG SER 7 11.289 6.941 -5.095 42 H SER 8 H SER 8 6.185 8.550 -4.708 43 HA SER 8 HA SER 8 6.693 11.326 -4.293 44 1HB SER 8 2HB SER 8 4.496 9.684 -5.174 45 2HB SER 8 1HB SER 8 3.915 10.948 -4.098 46 HG SER 8 HG SER 8 5.521 12.244 -5.523 47 HA PRO 9 HA PRO 9 6.195 11.182 0.150 48 1HB PRO 9 2HB PRO 9 6.896 13.811 0.558 49 2HB PRO 9 1HB PRO 9 8.072 12.509 0.306 50 1HG PRO 9 2HG PRO 9 7.207 14.650 -1.582 51 2HG PRO 9 1HG PRO 9 8.739 13.763 -1.516 52 1HD PRO 9 2HD PRO 9 6.620 13.275 -3.329 53 2HD PRO 9 1HD PRO 9 8.003 12.201 -3.024 54 H GLU 10 H GLU 10 4.629 13.338 -2.102 55 HA GLU 10 HA GLU 10 2.789 14.476 -0.127 56 1HB GLU 10 2HB GLU 10 3.591 15.221 -2.660 57 2HB GLU 10 1HB GLU 10 1.982 14.562 -2.958 58 1HG GLU 10 2HG GLU 10 0.969 16.080 -1.420 59 2HG GLU 10 1HG GLU 10 2.531 16.559 -0.753 60 H ASN 11 H ASN 11 2.977 11.706 -2.184 61 HA ASN 11 HA ASN 11 0.201 11.047 -2.348 62 1HB ASN 11 2HB ASN 11 2.394 10.065 -3.520 63 2HB ASN 11 1HB ASN 11 2.264 8.894 -2.211 64 1HD2 ASN 11 1HD2 ASN 11 1.865 8.064 -4.885 65 2HD2 ASN 11 2HD2 ASN 11 0.231 7.670 -5.108 66 HA PRO 12 HA PRO 12 -0.107 9.913 1.980 67 1HB PRO 12 2HB PRO 12 -2.826 9.503 1.929 68 2HB PRO 12 1HB PRO 12 -2.078 11.105 2.057 69 1HG PRO 12 2HG PRO 12 -3.399 9.835 -0.297 70 2HG PRO 12 1HG PRO 12 -3.226 11.552 0.102 71 1HD PRO 12 2HD PRO 12 -1.673 10.129 -1.786 72 2HD PRO 12 1HD PRO 12 -1.295 11.734 -1.123 73 H CYS 13 H CYS 13 -1.129 8.058 -0.803 74 HA CYS 13 HA CYS 13 -1.847 5.646 0.633 75 1HB CYS 13 2HB CYS 13 -1.166 6.263 -2.236 76 2HB CYS 13 1HB CYS 13 -1.402 4.604 -1.698 77 H CYS 14 H CYS 14 1.165 7.086 -0.331 78 HA CYS 14 HA CYS 14 2.522 4.582 0.561 79 1HB CYS 14 2HB CYS 14 4.225 4.870 -1.047 80 2HB CYS 14 1HB CYS 14 2.728 5.205 -1.914 81 H ASP 15 H ASP 15 4.597 4.903 1.586 82 HA ASP 15 HA ASP 15 4.706 7.479 3.082 83 1HB ASP 15 2HB ASP 15 4.368 5.016 4.135 84 2HB ASP 15 1HB ASP 15 6.122 5.101 4.097 85 H ALA 16 H ALA 16 6.503 8.696 2.760 86 HA ALA 16 HA ALA 16 8.602 7.731 0.995 87 1HB ALA 16 1HB ALA 16 7.727 10.088 0.967 88 2HB ALA 16 2HB ALA 16 9.480 9.984 1.128 89 3HB ALA 16 3HB ALA 16 8.483 10.332 2.541 90 H ALA 17 H ALA 17 8.211 8.300 4.453 91 HA ALA 17 HA ALA 17 10.952 8.242 5.214 92 1HB ALA 17 1HB ALA 17 8.892 6.882 6.917 93 2HB ALA 17 2HB ALA 17 8.730 8.613 6.619 94 3HB ALA 17 3HB ALA 17 10.185 7.984 7.394 95 H THR 18 H THR 18 8.750 5.725 4.233 96 HA THR 18 HA THR 18 10.979 3.755 4.522 97 HB THR 18 HB THR 18 9.489 2.076 5.258 98 HG1 THR 18 HG1 THR 18 7.217 2.411 5.158 99 1HG2 THR 18 1HG2 THR 18 9.840 4.217 6.790 100 2HG2 THR 18 2HG2 THR 18 8.763 2.913 7.288 101 3HG2 THR 18 3HG2 THR 18 8.098 4.377 6.564 102 H CYS 19 H CYS 19 9.171 5.479 2.397 103 HA CYS 19 HA CYS 19 8.714 5.217 0.093 104 1HB CYS 19 2HB CYS 19 11.167 4.049 0.626 105 2HB CYS 19 1HB CYS 19 10.288 2.840 -0.312 106 H LYS 20 H LYS 20 7.473 3.245 2.331 107 HA LYS 20 HA LYS 20 6.177 1.535 0.245 108 1HB LYS 20 2HB LYS 20 6.696 0.761 3.126 109 2HB LYS 20 1HB LYS 20 5.968 -0.254 1.879 110 1HG LYS 20 2HG LYS 20 7.979 -0.773 0.968 111 2HG LYS 20 1HG LYS 20 8.553 0.890 1.080 112 1HD LYS 20 2HD LYS 20 9.959 -0.208 2.592 113 2HD LYS 20 1HD LYS 20 8.682 0.395 3.650 114 1HE LYS 20 2HE LYS 20 7.707 -2.057 2.740 115 2HE LYS 20 1HE LYS 20 9.419 -2.357 3.036 116 1HZ LYS 20 1HZ LYS 20 7.300 -1.701 4.907 117 2HZ LYS 20 2HZ LYS 20 8.789 -0.932 5.188 118 3HZ LYS 20 3HZ LYS 20 8.702 -2.628 5.135 119 H LEU 21 H LEU 21 3.972 0.973 0.613 120 HA LEU 21 HA LEU 21 2.132 2.891 1.083 121 1HB LEU 21 2HB LEU 21 2.037 -0.037 1.722 122 2HB LEU 21 1HB LEU 21 0.651 0.991 2.092 123 HG LEU 21 HG LEU 21 1.937 1.105 -0.626 124 1HD1 LEU 21 1HD1 LEU 21 0.320 -1.078 0.550 125 2HD1 LEU 21 2HD1 LEU 21 1.426 -1.110 -0.822 126 3HD1 LEU 21 3HD1 LEU 21 -0.216 -0.502 -1.027 127 1HD2 LEU 21 1HD2 LEU 21 -0.861 1.324 -0.725 128 2HD2 LEU 21 2HD2 LEU 21 0.306 2.641 -0.852 129 3HD2 LEU 21 3HD2 LEU 21 -0.380 2.219 0.718 130 H ARG 22 H ARG 22 1.552 4.190 2.712 131 HA ARG 22 HA ARG 22 2.660 3.694 5.395 132 1HB ARG 22 2HB ARG 22 2.925 5.940 4.906 133 2HB ARG 22 1HB ARG 22 1.423 6.038 3.997 134 1HG ARG 22 2HG ARG 22 0.160 5.812 6.149 135 2HG ARG 22 1HG ARG 22 1.697 5.853 7.013 136 1HD ARG 22 2HD ARG 22 2.140 8.071 5.799 137 2HD ARG 22 1HD ARG 22 0.433 8.042 5.356 138 HE ARG 22 HE ARG 22 -0.087 8.619 7.582 139 1HH1 ARG 22 1HH1 ARG 22 3.010 9.358 7.437 140 2HH1 ARG 22 2HH1 ARG 22 3.481 8.819 9.014 141 1HH2 ARG 22 1HH2 ARG 22 0.547 7.059 9.578 142 2HH2 ARG 22 2HH2 ARG 22 2.086 7.517 10.227 143 HA PRO 23 HA PRO 23 -2.006 3.592 6.372 144 1HB PRO 23 2HB PRO 23 -3.763 3.550 4.264 145 2HB PRO 23 1HB PRO 23 -3.192 5.044 5.028 146 1HG PRO 23 2HG PRO 23 -2.446 3.884 2.391 147 2HG PRO 23 1HG PRO 23 -2.377 5.569 2.936 148 1HD PRO 23 2HD PRO 23 -0.190 3.761 2.741 149 2HD PRO 23 1HD PRO 23 -0.173 5.365 3.504 150 H GLY 24 H GLY 24 -3.987 1.934 5.739 151 1HA GLY 24 2HA GLY 24 -2.640 -0.663 5.343 152 2HA GLY 24 1HA GLY 24 -4.303 -0.431 5.888 153 H ALA 25 H ALA 25 -3.395 1.470 3.190 154 HA ALA 25 HA ALA 25 -5.377 0.375 1.483 155 1HB ALA 25 1HB ALA 25 -4.170 1.627 -0.330 156 2HB ALA 25 2HB ALA 25 -2.886 1.974 0.827 157 3HB ALA 25 3HB ALA 25 -4.509 2.607 1.095 158 H GLN 26 H GLN 26 -4.511 -0.387 -0.888 159 HA GLN 26 HA GLN 26 -2.703 -2.697 -0.337 160 1HB GLN 26 2HB GLN 26 -4.839 -2.533 -2.439 161 2HB GLN 26 1HB GLN 26 -3.932 -3.961 -1.968 162 1HG GLN 26 2HG GLN 26 -4.989 -3.086 0.433 163 2HG GLN 26 1HG GLN 26 -6.288 -2.753 -0.711 164 1HE2 GLN 26 1HE2 GLN 26 -7.681 -4.499 -0.927 165 2HE2 GLN 26 2HE2 GLN 26 -7.232 -6.132 -0.808 166 H CYS 27 H CYS 27 -2.520 0.231 -1.675 167 HA CYS 27 HA CYS 27 -0.251 -0.348 -3.283 168 1HB CYS 27 2HB CYS 27 -1.100 -0.108 -5.525 169 2HB CYS 27 1HB CYS 27 -2.047 -1.369 -4.736 170 H GLY 28 H GLY 28 0.612 1.593 -4.301 171 1HA GLY 28 2HA GLY 28 -0.729 4.083 -3.329 172 2HA GLY 28 1HA GLY 28 1.019 3.873 -3.283 173 H GLU 29 H GLU 29 0.783 2.414 -5.969 174 HA GLU 29 HA GLU 29 -0.259 4.192 -7.928 175 1HB GLU 29 2HB GLU 29 1.691 5.431 -8.620 176 2HB GLU 29 1HB GLU 29 1.497 5.690 -6.884 177 1HG GLU 29 2HG GLU 29 3.674 5.066 -6.756 178 2HG GLU 29 1HG GLU 29 3.044 3.427 -6.929 179 H GLY 30 H GLY 30 -0.428 2.877 -9.675 180 1HA GLY 30 2HA GLY 30 1.793 1.403 -10.747 181 2HA GLY 30 1HA GLY 30 0.687 0.319 -9.903 182 H LEU 31 H LEU 31 0.899 -0.156 -12.550 183 HA LEU 31 HA LEU 31 -0.752 1.361 -14.295 184 1HB LEU 31 2HB LEU 31 0.497 -1.261 -14.301 185 2HB LEU 31 1HB LEU 31 -1.020 -1.235 -15.189 186 HG LEU 31 HG LEU 31 1.053 -0.647 -16.544 187 1HD1 LEU 31 1HD1 LEU 31 -0.457 1.807 -16.815 188 2HD1 LEU 31 2HD1 LEU 31 -1.546 0.448 -16.542 189 3HD1 LEU 31 3HD1 LEU 31 -0.411 0.411 -17.890 190 1HD2 LEU 31 1HD2 LEU 31 0.888 2.064 -15.267 191 2HD2 LEU 31 2HD2 LEU 31 2.235 1.317 -16.125 192 3HD2 LEU 31 3HD2 LEU 31 1.849 0.811 -14.480 193 H CYS 32 H CYS 32 -1.572 -0.586 -11.626 194 HA CYS 32 HA CYS 32 -4.441 -0.282 -12.269 195 1HB CYS 32 2HB CYS 32 -3.582 -2.970 -11.260 196 2HB CYS 32 1HB CYS 32 -4.993 -2.536 -12.223 197 H CYS 33 H CYS 33 -3.551 1.299 -10.430 198 HA CYS 33 HA CYS 33 -4.016 -0.096 -7.825 199 1HB CYS 33 2HB CYS 33 -1.747 0.600 -7.745 200 2HB CYS 33 1HB CYS 33 -2.102 2.139 -8.520 201 H GLU 34 H GLU 34 -6.029 0.454 -7.156 202 HA GLU 34 HA GLU 34 -7.371 2.873 -8.032 203 1HB GLU 34 2HB GLU 34 -8.147 0.452 -6.874 204 2HB GLU 34 1HB GLU 34 -8.488 1.663 -5.642 205 1HG GLU 34 2HG GLU 34 -9.781 2.982 -7.246 206 2HG GLU 34 1HG GLU 34 -9.388 1.839 -8.530 207 H GLN 35 H GLN 35 -8.489 4.124 -5.970 208 HA GLN 35 HA GLN 35 -6.393 5.677 -4.826 209 1HB GLN 35 2HB GLN 35 -9.136 5.438 -3.594 210 2HB GLN 35 1HB GLN 35 -8.087 6.853 -3.671 211 1HG GLN 35 2HG GLN 35 -9.047 7.480 -5.603 212 2HG GLN 35 1HG GLN 35 -8.584 5.949 -6.344 213 1HE2 GLN 35 1HE2 GLN 35 -11.230 7.680 -4.786 214 2HE2 GLN 35 2HE2 GLN 35 -12.419 6.505 -5.081 215 H CYS 36 H CYS 36 -4.952 4.138 -3.815 216 HA CYS 36 HA CYS 36 -4.114 3.000 -1.934 217 1HB CYS 36 2HB CYS 36 -6.337 4.648 -0.895 218 2HB CYS 36 1HB CYS 36 -5.919 3.254 0.095 219 H LYS 37 H LYS 37 -5.631 1.505 -3.832 220 HA LYS 37 HA LYS 37 -6.441 -0.733 -2.124 221 1HB LYS 37 2HB LYS 37 -8.419 1.040 -3.414 222 2HB LYS 37 1HB LYS 37 -8.669 -0.681 -3.708 223 1HG LYS 37 2HG LYS 37 -8.024 -0.505 -0.984 224 2HG LYS 37 1HG LYS 37 -9.123 0.843 -1.279 225 1HD LYS 37 2HD LYS 37 -10.841 -0.576 -2.070 226 2HD LYS 37 1HD LYS 37 -9.730 -1.923 -2.318 227 1HE LYS 37 2HE LYS 37 -9.881 -0.881 0.453 228 2HE LYS 37 1HE LYS 37 -11.329 -1.698 -0.136 229 1HZ LYS 37 1HZ LYS 37 -9.018 -3.137 -0.897 230 2HZ LYS 37 2HZ LYS 37 -10.324 -3.644 0.066 231 3HZ LYS 37 3HZ LYS 37 -8.991 -2.866 0.777 232 H PHE 38 H PHE 38 -6.772 -2.701 -3.384 233 HA PHE 38 HA PHE 38 -5.031 -2.875 -5.680 234 1HB PHE 38 2HB PHE 38 -6.881 -4.749 -4.241 235 2HB PHE 38 1HB PHE 38 -6.293 -5.202 -5.840 236 HD1 PHE 38 HD1 PHE 38 -3.586 -4.060 -5.879 237 HD2 PHE 38 HD2 PHE 38 -5.681 -6.076 -2.717 238 HE1 PHE 38 HE1 PHE 38 -1.421 -4.757 -4.888 239 HE2 PHE 38 HE2 PHE 38 -3.517 -6.772 -1.726 240 HZ PHE 38 HZ PHE 38 -1.387 -6.114 -2.812 241 H SER 39 H SER 39 -5.562 -2.321 -7.745 242 HA SER 39 HA SER 39 -8.078 -1.360 -8.562 243 1HB SER 39 2HB SER 39 -7.282 -1.825 -10.895 244 2HB SER 39 1HB SER 39 -6.094 -0.973 -9.914 245 HG SER 39 HG SER 39 -6.063 -3.534 -10.952 246 H ARG 40 H ARG 40 -9.681 -2.400 -10.006 247 HA ARG 40 HA ARG 40 -10.365 -5.052 -9.066 248 1HB ARG 40 2HB ARG 40 -11.665 -3.540 -11.305 249 2HB ARG 40 1HB ARG 40 -12.385 -4.799 -10.312 250 1HG ARG 40 2HG ARG 40 -11.310 -2.363 -8.947 251 2HG ARG 40 1HG ARG 40 -12.845 -2.226 -9.805 252 1HD ARG 40 2HD ARG 40 -13.115 -4.611 -8.421 253 2HD ARG 40 1HD ARG 40 -12.240 -3.586 -7.283 254 HE ARG 40 HE ARG 40 -14.958 -3.056 -8.348 255 1HH1 ARG 40 1HH1 ARG 40 -13.787 -3.257 -5.431 256 2HH1 ARG 40 2HH1 ARG 40 -13.968 -1.606 -4.941 257 1HH2 ARG 40 1HH2 ARG 40 -14.536 -0.438 -8.156 258 2HH2 ARG 40 2HH2 ARG 40 -14.393 -0.010 -6.484 259 H ALA 41 H ALA 41 -10.204 -6.990 -10.218 260 HA ALA 41 HA ALA 41 -8.162 -7.315 -12.124 261 1HB ALA 41 1HB ALA 41 -9.556 -9.429 -12.779 262 2HB ALA 41 2HB ALA 41 -10.605 -8.940 -11.448 263 3HB ALA 41 3HB ALA 41 -8.909 -9.315 -11.142 264 H GLY 42 H GLY 42 -8.875 -8.393 -14.431 265 1HA GLY 42 2HA GLY 42 -9.568 -7.802 -16.597 266 2HA GLY 42 1HA GLY 42 -11.074 -7.298 -15.831 267 H LYS 43 H LYS 43 -8.135 -5.854 -14.703 268 HA LYS 43 HA LYS 43 -9.078 -3.231 -15.596 269 1HB LYS 43 2HB LYS 43 -8.127 -3.249 -13.413 270 2HB LYS 43 1HB LYS 43 -6.724 -4.166 -13.953 271 1HG LYS 43 2HG LYS 43 -5.905 -1.956 -13.766 272 2HG LYS 43 1HG LYS 43 -6.234 -2.121 -15.484 273 1HD LYS 43 2HD LYS 43 -8.491 -1.097 -15.097 274 2HD LYS 43 1HD LYS 43 -8.023 -0.809 -13.422 275 1HE LYS 43 2HE LYS 43 -5.903 0.313 -14.566 276 2HE LYS 43 1HE LYS 43 -7.017 0.493 -15.922 277 1HZ LYS 43 1HZ LYS 43 -7.009 1.810 -13.346 278 2HZ LYS 43 2HZ LYS 43 -8.538 1.278 -13.866 279 3HZ LYS 43 3HZ LYS 43 -7.629 2.337 -14.834 280 H ILE 44 H ILE 44 -8.417 -2.256 -17.489 281 HA ILE 44 HA ILE 44 -6.464 -3.659 -19.127 282 HB ILE 44 HB ILE 44 -8.344 -1.420 -19.496 283 1HG1 ILE 44 2HG1 ILE 44 -8.804 -3.691 -20.282 284 2HG1 ILE 44 1HG1 ILE 44 -8.638 -2.605 -21.664 285 1HG2 ILE 44 1HG2 ILE 44 -7.025 -0.982 -21.743 286 2HG2 ILE 44 2HG2 ILE 44 -5.640 -1.512 -20.789 287 3HG2 ILE 44 3HG2 ILE 44 -6.579 -0.110 -20.276 288 1HD1 ILE 44 1HD1 ILE 44 -6.082 -3.317 -21.470 289 2HD1 ILE 44 2HD1 ILE 44 -7.241 -4.321 -22.342 290 3HD1 ILE 44 3HD1 ILE 44 -6.779 -4.739 -20.693 291 H CYS 45 H CYS 45 -4.384 -3.510 -18.552 292 HA CYS 45 HA CYS 45 -3.339 -0.911 -17.553 293 1HB CYS 45 2HB CYS 45 -1.336 -2.318 -16.911 294 2HB CYS 45 1HB CYS 45 -2.829 -2.755 -16.088 295 H ARG 46 H ARG 46 -3.418 -2.923 -20.309 296 HA ARG 46 HA ARG 46 -1.767 -1.075 -21.816 297 1HB ARG 46 2HB ARG 46 -0.430 -3.234 -20.513 298 2HB ARG 46 1HB ARG 46 -0.444 -3.577 -22.243 299 1HG ARG 46 2HG ARG 46 0.609 -1.494 -22.762 300 2HG ARG 46 1HG ARG 46 0.356 -0.883 -21.126 301 1HD ARG 46 2HD ARG 46 1.762 -3.318 -20.841 302 2HD ARG 46 1HD ARG 46 2.558 -2.442 -22.149 303 HE ARG 46 HE ARG 46 2.279 -1.473 -19.350 304 1HH1 ARG 46 1HH1 ARG 46 4.984 -1.880 -20.365 305 2HH1 ARG 46 2HH1 ARG 46 5.438 -0.316 -20.953 306 1HH2 ARG 46 1HH2 ARG 46 2.185 0.878 -21.063 307 2HH2 ARG 46 2HH2 ARG 46 3.852 1.246 -21.348 308 H ILE 47 H ILE 47 -1.048 -2.907 -23.887 309 HA ILE 47 HA ILE 47 -3.616 -4.173 -24.666 310 HB ILE 47 HB ILE 47 -3.792 -1.908 -25.546 311 1HG1 ILE 47 2HG1 ILE 47 -2.911 -3.678 -27.836 312 2HG1 ILE 47 1HG1 ILE 47 -4.426 -3.939 -26.970 313 1HG2 ILE 47 1HG2 ILE 47 -2.086 -0.976 -27.023 314 2HG2 ILE 47 2HG2 ILE 47 -1.134 -2.456 -26.900 315 3HG2 ILE 47 3HG2 ILE 47 -1.345 -1.423 -25.487 316 1HD1 ILE 47 1HD1 ILE 47 -4.516 -1.238 -27.466 317 2HD1 ILE 47 2HD1 ILE 47 -5.305 -2.466 -28.455 318 3HD1 ILE 47 3HD1 ILE 47 -3.718 -1.849 -28.915 319 H ALA 48 H ALA 48 -3.300 -5.967 -25.971 320 HA ALA 48 HA ALA 48 -0.900 -7.354 -26.023 321 1HB ALA 48 1HB ALA 48 -1.855 -8.345 -28.260 322 2HB ALA 48 2HB ALA 48 -3.258 -7.344 -27.891 323 3HB ALA 48 3HB ALA 48 -2.747 -8.593 -26.759 324 H LYS 49 H LYS 49 0.659 -7.717 -27.805 325 HA LYS 49 HA LYS 49 1.417 -5.170 -29.062 326 1HB LYS 49 2HB LYS 49 2.798 -7.832 -29.256 327 2HB LYS 49 1HB LYS 49 3.491 -6.255 -29.608 328 1HG LYS 49 2HG LYS 49 2.340 -6.429 -26.917 329 2HG LYS 49 1HG LYS 49 3.660 -7.569 -27.177 330 1HD LYS 49 2HD LYS 49 4.566 -5.451 -26.362 331 2HD LYS 49 1HD LYS 49 5.065 -5.700 -28.036 332 1HE LYS 49 2HE LYS 49 3.415 -4.167 -28.851 333 2HE LYS 49 1HE LYS 49 2.608 -4.101 -27.284 334 1HZ LYS 49 1HZ LYS 49 4.642 -2.462 -28.208 335 2HZ LYS 49 2HZ LYS 49 5.331 -3.427 -26.992 336 3HZ LYS 49 3HZ LYS 49 3.960 -2.483 -26.656 337 H GLY 50 H GLY 50 -0.656 -7.589 -29.831 338 1HA GLY 50 2HA GLY 50 -0.661 -6.862 -32.638 339 2HA GLY 50 1HA GLY 50 -0.226 -8.544 -32.352 340 H ASP 51 H ASP 51 -1.817 -9.609 -30.653 341 HA ASP 51 HA ASP 51 -4.443 -8.728 -30.248 342 1HB ASP 51 2HB ASP 51 -3.954 -9.384 -32.993 343 2HB ASP 51 1HB ASP 51 -5.086 -10.549 -32.310 344 H TRP 52 H TRP 52 -4.533 -10.002 -28.431 345 HA TRP 52 HA TRP 52 -5.208 -12.738 -28.586 346 1HB TRP 52 2HB TRP 52 -2.875 -13.388 -27.338 347 2HB TRP 52 1HB TRP 52 -3.165 -13.636 -29.058 348 HD1 TRP 52 HD1 TRP 52 -2.376 -10.341 -27.212 349 HE1 TRP 52 HE1 TRP 52 -0.275 -9.295 -28.283 350 HE3 TRP 52 HE3 TRP 52 -1.215 -13.978 -30.582 351 HZ2 TRP 52 HZ2 TRP 52 1.639 -9.920 -30.314 352 HZ3 TRP 52 HZ3 TRP 52 0.747 -13.735 -32.078 353 HH2 TRP 52 HH2 TRP 52 2.173 -11.709 -31.949 354 H ASN 53 H ASN 53 -6.492 -11.071 -27.137 355 HA ASN 53 HA ASN 53 -7.306 -10.805 -24.943 356 1HB ASN 53 2HB ASN 53 -5.536 -13.026 -24.748 357 2HB ASN 53 1HB ASN 53 -5.194 -11.963 -23.383 358 1HD2 ASN 53 1HD2 ASN 53 -6.356 -12.816 -21.638 359 2HD2 ASN 53 2HD2 ASN 53 -7.995 -13.255 -21.693 360 H ASP 54 H ASP 54 -7.108 -8.694 -24.368 361 HA ASP 54 HA ASP 54 -4.664 -7.208 -24.414 362 1HB ASP 54 2HB ASP 54 -7.426 -6.720 -23.794 363 2HB ASP 54 1HB ASP 54 -6.406 -5.988 -22.557 364 H ASP 55 H ASP 55 -3.704 -6.171 -22.400 365 HA ASP 55 HA ASP 55 -3.151 -8.296 -20.449 366 1HB ASP 55 2HB ASP 55 -1.691 -6.155 -21.498 367 2HB ASP 55 1HB ASP 55 -1.993 -5.720 -19.819 368 H ARG 56 H ARG 56 -4.889 -8.527 -19.065 369 HA ARG 56 HA ARG 56 -6.069 -6.113 -17.825 370 1HB ARG 56 2HB ARG 56 -6.883 -8.954 -17.351 371 2HB ARG 56 1HB ARG 56 -7.836 -7.500 -17.102 372 1HG ARG 56 2HG ARG 56 -6.856 -7.767 -19.851 373 2HG ARG 56 1HG ARG 56 -7.917 -9.091 -19.367 374 1HD ARG 56 2HD ARG 56 -9.705 -7.621 -18.858 375 2HD ARG 56 1HD ARG 56 -8.648 -6.210 -18.835 376 HE ARG 56 HE ARG 56 -8.508 -7.307 -21.439 377 1HH1 ARG 56 1HH1 ARG 56 -11.277 -6.804 -19.579 378 2HH1 ARG 56 2HH1 ARG 56 -12.037 -5.721 -20.697 379 1HH2 ARG 56 1HH2 ARG 56 -9.270 -5.506 -22.776 380 2HH2 ARG 56 2HH2 ARG 56 -10.900 -4.986 -22.508 381 H CYS 57 H CYS 57 -6.087 -5.866 -15.514 382 HA CYS 57 HA CYS 57 -3.765 -7.143 -14.212 383 1HB CYS 57 2HB CYS 57 -5.584 -5.165 -12.860 384 2HB CYS 57 1HB CYS 57 -3.855 -5.418 -12.631 385 H THR 58 H THR 58 -4.072 -8.135 -12.065 386 HA THR 58 HA THR 58 -6.516 -9.760 -12.003 387 HB THR 58 HB THR 58 -5.412 -11.058 -10.342 388 HG1 THR 58 HG1 THR 58 -3.307 -10.014 -9.565 389 1HG2 THR 58 1HG2 THR 58 -3.142 -11.403 -11.287 390 2HG2 THR 58 2HG2 THR 58 -3.306 -9.898 -12.190 391 3HG2 THR 58 3HG2 THR 58 -4.365 -11.262 -12.548 392 H GLY 59 H GLY 59 -7.331 -10.078 -9.542 393 1HA GLY 59 2HA GLY 59 -8.362 -7.436 -8.775 394 2HA GLY 59 1HA GLY 59 -8.856 -8.982 -8.084 395 H GLN 60 H GLN 60 -5.477 -8.672 -8.261 396 HA GLN 60 HA GLN 60 -5.232 -7.406 -5.600 397 1HB GLN 60 2HB GLN 60 -4.686 -10.303 -6.196 398 2HB GLN 60 1HB GLN 60 -3.742 -9.464 -4.964 399 1HG GLN 60 2HG GLN 60 -6.348 -8.696 -4.399 400 2HG GLN 60 1HG GLN 60 -6.515 -10.389 -4.865 401 1HE2 GLN 60 1HE2 GLN 60 -6.725 -11.378 -2.808 402 2HE2 GLN 60 2HE2 GLN 60 -5.554 -11.261 -1.584 403 H SER 61 H SER 61 -4.315 -6.960 -8.461 404 HA SER 61 HA SER 61 -1.376 -6.919 -7.885 405 1HB SER 61 2HB SER 61 -1.365 -8.250 -9.754 406 2HB SER 61 1HB SER 61 -2.912 -7.636 -10.327 407 HG SER 61 HG SER 61 -0.357 -6.777 -10.842 408 H ALA 62 H ALA 62 -0.332 -4.957 -8.138 409 HA ALA 62 HA ALA 62 -2.073 -2.627 -8.816 410 1HB ALA 62 1HB ALA 62 -1.052 -2.541 -6.576 411 2HB ALA 62 2HB ALA 62 -0.381 -1.275 -7.605 412 3HB ALA 62 3HB ALA 62 0.549 -2.739 -7.289 413 H ASP 63 H ASP 63 0.475 -4.543 -9.997 414 HA ASP 63 HA ASP 63 1.350 -2.361 -11.838 415 1HB ASP 63 2HB ASP 63 2.805 -4.948 -11.521 416 2HB ASP 63 1HB ASP 63 3.436 -3.387 -12.025 417 H CYS 64 H CYS 64 2.288 -3.717 -13.969 418 HA CYS 64 HA CYS 64 0.133 -5.608 -14.772 419 1HB CYS 64 2HB CYS 64 -0.570 -3.445 -15.635 420 2HB CYS 64 1HB CYS 64 1.020 -3.174 -16.346 421 HA PRO 65 HA PRO 65 3.816 -7.618 -16.198 422 1HB PRO 65 2HB PRO 65 2.543 -10.020 -16.538 423 2HB PRO 65 1HB PRO 65 3.133 -9.456 -14.976 424 1HG PRO 65 2HG PRO 65 0.352 -9.669 -15.984 425 2HG PRO 65 1HG PRO 65 0.937 -9.607 -14.313 426 1HD PRO 65 2HD PRO 65 -0.223 -7.467 -15.797 427 2HD PRO 65 1HD PRO 65 0.536 -7.364 -14.195 428 H ARG 66 H ARG 66 3.353 -9.749 -18.138 429 HA ARG 66 HA ARG 66 1.755 -8.716 -20.315 430 1HB ARG 66 2HB ARG 66 4.622 -8.031 -20.121 431 2HB ARG 66 1HB ARG 66 4.115 -8.676 -21.683 432 1HG ARG 66 2HG ARG 66 2.105 -6.849 -20.855 433 2HG ARG 66 1HG ARG 66 3.658 -6.053 -20.601 434 1HD ARG 66 2HD ARG 66 3.792 -7.429 -23.095 435 2HD ARG 66 1HD ARG 66 2.287 -6.509 -23.071 436 HE ARG 66 HE ARG 66 3.562 -4.503 -23.043 437 1HH1 ARG 66 1HH1 ARG 66 5.477 -5.820 -20.926 438 2HH1 ARG 66 2HH1 ARG 66 6.985 -5.647 -21.760 439 1HH2 ARG 66 1HH2 ARG 66 5.519 -4.910 -24.812 440 2HH2 ARG 66 2HH2 ARG 66 7.008 -5.133 -23.957 441 H TYR 67 H TYR 67 1.009 -10.593 -21.164 442 HA TYR 67 HA TYR 67 2.173 -13.142 -20.729 443 1HB TYR 67 2HB TYR 67 -0.150 -12.141 -21.950 444 2HB TYR 67 1HB TYR 67 0.681 -13.068 -23.195 445 HD1 TYR 67 HD1 TYR 67 -0.126 -15.239 -23.357 446 HD2 TYR 67 HD2 TYR 67 0.275 -13.439 -19.478 447 HE1 TYR 67 HE1 TYR 67 -0.875 -17.352 -22.299 448 HE2 TYR 67 HE2 TYR 67 -0.474 -15.553 -18.420 449 HH TYR 67 HH TYR 67 -1.325 -17.586 -18.779 450 H HIS 68 HN HIS 68 2.702 -10.752 -23.249 451 HA HIS 68 HA HIS 68 5.078 -12.249 -24.128 452 1HB HIS 68 2HB HIS 68 2.697 -12.680 -25.488 453 2HB HIS 68 1HB HIS 68 3.491 -11.435 -26.452 454 HD1 HIS 68 HD1 HIS 68 4.749 -14.562 -24.640 455 HD2 HIS 68 HD2 HIS 68 5.058 -12.677 -28.344 456 HE1 HIS 68 HE1 HIS 68 6.295 -15.993 -26.045 Start of MODEL 14 1 1H GLY 1 1HT GLY 1 16.078 -3.800 1.035 2 2H GLY 1 2HT GLY 1 14.757 -4.331 1.963 3 3H GLY 1 3HT GLY 1 16.343 -4.701 2.447 4 1HA GLY 1 1HA GLY 1 15.483 -2.925 3.810 5 2HA GLY 1 2HA GLY 1 16.797 -2.337 2.791 6 H LYS 2 H LYS 2 16.134 -0.214 2.473 7 HA LYS 2 HA LYS 2 14.906 1.535 1.503 8 1HB LYS 2 2HB LYS 2 13.206 -0.555 0.141 9 2HB LYS 2 1HB LYS 2 13.632 1.058 -0.433 10 1HG LYS 2 2HG LYS 2 15.455 -1.347 -0.188 11 2HG LYS 2 1HG LYS 2 14.986 -0.504 -1.665 12 1HD LYS 2 2HD LYS 2 16.081 1.572 -0.688 13 2HD LYS 2 1HD LYS 2 16.745 0.529 0.569 14 1HE LYS 2 2HE LYS 2 18.370 0.801 -1.255 15 2HE LYS 2 1HE LYS 2 17.815 -0.871 -1.172 16 1HZ LYS 2 1HZ LYS 2 16.382 -0.540 -2.994 17 2HZ LYS 2 2HZ LYS 2 17.866 0.154 -3.446 18 3HZ LYS 2 3HZ LYS 2 16.577 1.145 -2.954 19 H GLU 3 H GLU 3 13.516 2.646 2.774 20 HA GLU 3 HA GLU 3 11.132 1.189 3.843 21 1HB GLU 3 2HB GLU 3 11.272 3.122 5.612 22 2HB GLU 3 1HB GLU 3 12.366 1.745 5.757 23 1HG GLU 3 2HG GLU 3 14.116 3.006 4.553 24 2HG GLU 3 1HG GLU 3 13.026 4.388 4.421 25 H CYS 4 H CYS 4 11.180 2.470 1.295 26 HA CYS 4 HA CYS 4 9.302 4.738 1.818 27 1HB CYS 4 2HB CYS 4 11.604 4.511 -0.032 28 2HB CYS 4 1HB CYS 4 10.171 5.285 -0.684 29 H ASP 5 H ASP 5 7.696 2.865 1.746 30 HA ASP 5 HA ASP 5 7.211 1.133 -0.355 31 1HB ASP 5 2HB ASP 5 5.786 1.661 1.779 32 2HB ASP 5 1HB ASP 5 4.901 2.738 0.696 33 H CYS 6 H CYS 6 6.590 4.617 -0.310 34 HA CYS 6 HA CYS 6 6.056 4.440 -3.248 35 1HB CYS 6 2HB CYS 6 4.377 6.083 -3.093 36 2HB CYS 6 1HB CYS 6 4.112 5.136 -1.635 37 H SER 7 H SER 7 6.412 6.938 -4.116 38 HA SER 7 HA SER 7 9.100 7.709 -3.052 39 1HB SER 7 2HB SER 7 9.234 8.756 -5.475 40 2HB SER 7 1HB SER 7 9.563 7.044 -5.227 41 HG SER 7 HG SER 7 7.103 8.228 -6.018 42 H SER 8 H SER 8 5.888 8.799 -3.811 43 HA SER 8 HA SER 8 6.705 11.636 -3.495 44 1HB SER 8 2HB SER 8 4.689 10.321 -4.997 45 2HB SER 8 1HB SER 8 3.880 11.328 -3.802 46 HG SER 8 HG SER 8 4.443 12.983 -4.948 47 HA PRO 9 HA PRO 9 5.371 11.387 0.735 48 1HB PRO 9 2HB PRO 9 5.764 14.046 1.309 49 2HB PRO 9 1HB PRO 9 7.078 12.859 1.217 50 1HG PRO 9 2HG PRO 9 6.338 14.996 -0.725 51 2HG PRO 9 1HG PRO 9 7.910 14.228 -0.447 52 1HD PRO 9 2HD PRO 9 6.127 13.650 -2.574 53 2HD PRO 9 1HD PRO 9 7.548 12.693 -2.108 54 H GLU 10 H GLU 10 3.822 13.076 -1.794 55 HA GLU 10 HA GLU 10 1.669 14.100 -0.015 56 1HB GLU 10 2HB GLU 10 2.141 14.457 -2.991 57 2HB GLU 10 1HB GLU 10 0.807 15.177 -2.090 58 1HG GLU 10 2HG GLU 10 3.728 15.626 -1.420 59 2HG GLU 10 1HG GLU 10 2.765 16.724 -2.408 60 H ASN 11 H ASN 11 2.407 11.475 -2.117 61 HA ASN 11 HA ASN 11 -0.177 10.767 -3.038 62 1HB ASN 11 2HB ASN 11 2.281 9.721 -3.392 63 2HB ASN 11 1HB ASN 11 1.655 8.576 -2.205 64 1HD2 ASN 11 1HD2 ASN 11 1.661 6.943 -4.009 65 2HD2 ASN 11 2HD2 ASN 11 0.384 6.941 -5.129 66 HA PRO 12 HA PRO 12 -1.983 9.689 0.892 67 1HB PRO 12 2HB PRO 12 -4.396 8.862 -0.135 68 2HB PRO 12 1HB PRO 12 -3.960 10.564 0.085 69 1HG PRO 12 2HG PRO 12 -4.105 8.975 -2.433 70 2HG PRO 12 1HG PRO 12 -4.296 10.719 -2.195 71 1HD PRO 12 2HD PRO 12 -1.981 9.426 -3.184 72 2HD PRO 12 1HD PRO 12 -2.079 11.111 -2.631 73 H CYS 13 H CYS 13 -0.947 7.639 -1.519 74 HA CYS 13 HA CYS 13 -2.124 5.155 -0.426 75 1HB CYS 13 2HB CYS 13 -0.133 5.673 -2.652 76 2HB CYS 13 1HB CYS 13 -0.738 4.079 -2.211 77 H CYS 14 H CYS 14 0.383 7.170 0.462 78 HA CYS 14 HA CYS 14 1.637 4.934 1.937 79 1HB CYS 14 2HB CYS 14 3.901 5.585 1.234 80 2HB CYS 14 1HB CYS 14 2.928 5.119 -0.162 81 H ASP 15 H ASP 15 1.730 5.571 3.993 82 HA ASP 15 HA ASP 15 1.270 8.117 5.025 83 1HB ASP 15 2HB ASP 15 1.823 5.713 6.130 84 2HB ASP 15 1HB ASP 15 3.355 6.534 6.388 85 H ALA 16 H ALA 16 2.330 9.936 4.334 86 HA ALA 16 HA ALA 16 4.968 9.945 3.243 87 1HB ALA 16 1HB ALA 16 3.603 12.320 4.520 88 2HB ALA 16 2HB ALA 16 3.146 11.708 2.931 89 3HB ALA 16 3HB ALA 16 4.775 12.325 3.203 90 H ALA 17 H ALA 17 3.781 10.117 6.510 91 HA ALA 17 HA ALA 17 6.094 11.329 7.709 92 1HB ALA 17 1HB ALA 17 4.630 9.313 9.305 93 2HB ALA 17 2HB ALA 17 3.632 10.600 8.628 94 3HB ALA 17 3HB ALA 17 4.991 10.998 9.679 95 H THR 18 H THR 18 5.501 8.162 6.441 96 HA THR 18 HA THR 18 8.146 7.305 7.536 97 HB THR 18 HB THR 18 7.354 5.189 8.109 98 HG1 THR 18 HG1 THR 18 4.978 5.629 6.649 99 1HG2 THR 18 1HG2 THR 18 5.413 5.512 9.483 100 2HG2 THR 18 2HG2 THR 18 4.847 6.843 8.474 101 3HG2 THR 18 3HG2 THR 18 6.288 7.043 9.470 102 H CYS 19 H CYS 19 6.553 8.122 4.784 103 HA CYS 19 HA CYS 19 7.033 7.694 2.505 104 1HB CYS 19 2HB CYS 19 9.440 7.582 3.729 105 2HB CYS 19 1HB CYS 19 9.303 5.938 3.162 106 H LYS 20 H LYS 20 5.806 5.545 4.531 107 HA LYS 20 HA LYS 20 6.112 3.257 2.638 108 1HB LYS 20 2HB LYS 20 6.086 3.454 5.524 109 2HB LYS 20 1HB LYS 20 4.863 2.313 4.957 110 1HG LYS 20 2HG LYS 20 7.162 1.856 3.380 111 2HG LYS 20 1HG LYS 20 7.731 2.004 5.043 112 1HD LYS 20 2HD LYS 20 7.103 -0.157 5.284 113 2HD LYS 20 1HD LYS 20 5.449 0.458 5.306 114 1HE LYS 20 2HE LYS 20 5.197 0.094 2.942 115 2HE LYS 20 1HE LYS 20 6.915 -0.255 2.754 116 1HZ LYS 20 1HZ LYS 20 5.389 -1.884 4.644 117 2HZ LYS 20 2HZ LYS 20 6.696 -2.314 3.649 118 3HZ LYS 20 3HZ LYS 20 5.139 -2.161 2.990 119 H LEU 21 H LEU 21 4.060 1.767 2.748 120 HA LEU 21 HA LEU 21 1.898 3.199 1.564 121 1HB LEU 21 2HB LEU 21 2.345 0.425 2.501 122 2HB LEU 21 1HB LEU 21 0.665 0.951 2.420 123 HG LEU 21 HG LEU 21 2.565 1.368 0.106 124 1HD1 LEU 21 1HD1 LEU 21 1.987 -0.705 -0.815 125 2HD1 LEU 21 2HD1 LEU 21 0.594 -0.894 0.249 126 3HD1 LEU 21 3HD1 LEU 21 2.225 -1.098 0.887 127 1HD2 LEU 21 1HD2 LEU 21 -0.127 2.087 0.699 128 2HD2 LEU 21 2HD2 LEU 21 -0.155 0.890 -0.596 129 3HD2 LEU 21 3HD2 LEU 21 0.776 2.374 -0.788 130 H ARG 22 H ARG 22 -0.373 2.993 2.451 131 HA ARG 22 HA ARG 22 -0.357 3.744 5.335 132 1HB ARG 22 2HB ARG 22 -1.609 4.921 3.031 133 2HB ARG 22 1HB ARG 22 -2.869 4.324 4.110 134 1HG ARG 22 2HG ARG 22 -2.198 5.698 5.876 135 2HG ARG 22 1HG ARG 22 -0.559 5.871 5.247 136 1HD ARG 22 2HD ARG 22 -1.336 7.301 3.449 137 2HD ARG 22 1HD ARG 22 -3.018 7.019 3.897 138 HE ARG 22 HE ARG 22 -1.213 8.902 5.176 139 1HH1 ARG 22 1HH1 ARG 22 -4.348 8.681 4.850 140 2HH1 ARG 22 2HH1 ARG 22 -4.801 8.704 6.522 141 1HH2 ARG 22 1HH2 ARG 22 -1.584 8.111 7.674 142 2HH2 ARG 22 2HH2 ARG 22 -3.235 8.382 8.122 143 HA PRO 23 HA PRO 23 -2.377 -0.140 6.028 144 1HB PRO 23 2HB PRO 23 -3.486 0.507 8.478 145 2HB PRO 23 1HB PRO 23 -1.791 0.045 8.246 146 1HG PRO 23 2HG PRO 23 -2.964 2.790 8.608 147 2HG PRO 23 1HG PRO 23 -1.414 2.149 9.187 148 1HD PRO 23 2HD PRO 23 -1.612 3.775 6.957 149 2HD PRO 23 1HD PRO 23 -0.334 2.568 7.173 150 H GLY 24 H GLY 24 -3.831 0.446 4.219 151 1HA GLY 24 2HA GLY 24 -6.573 0.170 4.812 152 2HA GLY 24 1HA GLY 24 -6.273 1.885 4.496 153 H ALA 25 H ALA 25 -4.097 1.447 2.693 154 HA ALA 25 HA ALA 25 -5.589 0.705 0.269 155 1HB ALA 25 1HB ALA 25 -3.989 1.985 -0.915 156 2HB ALA 25 2HB ALA 25 -2.791 1.820 0.366 157 3HB ALA 25 3HB ALA 25 -4.189 2.868 0.597 158 H GLN 26 H GLN 26 -3.439 -0.062 -1.370 159 HA GLN 26 HA GLN 26 -2.208 -2.365 0.039 160 1HB GLN 26 2HB GLN 26 -2.893 -3.923 -1.722 161 2HB GLN 26 1HB GLN 26 -4.308 -3.182 -0.972 162 1HG GLN 26 2HG GLN 26 -4.807 -2.969 -3.232 163 2HG GLN 26 1HG GLN 26 -4.060 -1.410 -2.886 164 1HE2 GLN 26 1HE2 GLN 26 -3.726 -1.724 -5.423 165 2HE2 GLN 26 2HE2 GLN 26 -2.263 -2.448 -5.879 166 H CYS 27 H CYS 27 -1.798 0.213 -2.066 167 HA CYS 27 HA CYS 27 0.876 -0.692 -2.711 168 1HB CYS 27 2HB CYS 27 0.437 -1.565 -4.733 169 2HB CYS 27 1HB CYS 27 -1.248 -1.124 -4.583 170 H GLY 28 H GLY 28 2.168 1.085 -3.670 171 1HA GLY 28 2HA GLY 28 1.018 3.720 -2.899 172 2HA GLY 28 1HA GLY 28 2.740 3.365 -3.030 173 H GLU 29 H GLU 29 2.052 1.867 -5.628 174 HA GLU 29 HA GLU 29 0.986 3.744 -7.493 175 1HB GLU 29 2HB GLU 29 3.101 4.521 -8.527 176 2HB GLU 29 1HB GLU 29 2.929 5.098 -6.872 177 1HG GLU 29 2HG GLU 29 4.934 4.181 -6.421 178 2HG GLU 29 1HG GLU 29 4.194 2.597 -6.653 179 H GLY 30 H GLY 30 0.584 2.624 -9.349 180 1HA GLY 30 2HA GLY 30 2.363 0.726 -10.531 181 2HA GLY 30 1HA GLY 30 1.123 -0.130 -9.614 182 H LEU 31 H LEU 31 1.142 -0.518 -12.335 183 HA LEU 31 HA LEU 31 -0.457 1.361 -13.800 184 1HB LEU 31 2HB LEU 31 0.534 -1.364 -14.208 185 2HB LEU 31 1HB LEU 31 -0.932 -0.969 -15.092 186 HG LEU 31 HG LEU 31 1.618 0.675 -15.115 187 1HD1 LEU 31 1HD1 LEU 31 1.678 -0.127 -17.528 188 2HD1 LEU 31 2HD1 LEU 31 0.443 -1.305 -17.082 189 3HD1 LEU 31 3HD1 LEU 31 2.031 -1.361 -16.317 190 1HD2 LEU 31 1HD2 LEU 31 -1.139 1.069 -16.123 191 2HD2 LEU 31 2HD2 LEU 31 0.139 1.422 -17.285 192 3HD2 LEU 31 3HD2 LEU 31 0.098 2.264 -15.736 193 H CYS 32 H CYS 32 -1.267 -1.672 -12.119 194 HA CYS 32 HA CYS 32 -4.154 -1.044 -12.463 195 1HB CYS 32 2HB CYS 32 -3.086 -3.531 -11.151 196 2HB CYS 32 1HB CYS 32 -4.589 -3.310 -12.044 197 H CYS 33 H CYS 33 -2.723 0.623 -10.662 198 HA CYS 33 HA CYS 33 -3.584 -0.412 -7.997 199 1HB CYS 33 2HB CYS 33 -1.478 1.525 -8.881 200 2HB CYS 33 1HB CYS 33 -2.193 1.727 -7.284 201 H GLU 34 H GLU 34 -5.760 0.165 -7.944 202 HA GLU 34 HA GLU 34 -6.869 2.573 -8.970 203 1HB GLU 34 2HB GLU 34 -7.865 0.323 -7.741 204 2HB GLU 34 1HB GLU 34 -8.134 1.571 -6.529 205 1HG GLU 34 2HG GLU 34 -9.471 2.867 -7.978 206 2HG GLU 34 1HG GLU 34 -8.880 2.027 -9.411 207 H GLN 35 H GLN 35 -8.113 3.987 -7.022 208 HA GLN 35 HA GLN 35 -6.081 5.681 -6.007 209 1HB GLN 35 2HB GLN 35 -8.468 6.343 -6.300 210 2HB GLN 35 1HB GLN 35 -8.888 5.336 -4.916 211 1HG GLN 35 2HG GLN 35 -7.958 6.785 -3.401 212 2HG GLN 35 1HG GLN 35 -6.683 7.291 -4.511 213 1HE2 GLN 35 1HE2 GLN 35 -7.301 8.877 -6.228 214 2HE2 GLN 35 2HE2 GLN 35 -8.632 9.901 -5.983 215 H CYS 36 H CYS 36 -4.545 4.352 -4.906 216 HA CYS 36 HA CYS 36 -3.634 3.240 -3.050 217 1HB CYS 36 2HB CYS 36 -5.931 4.674 -1.677 218 2HB CYS 36 1HB CYS 36 -4.560 3.931 -0.854 219 H LYS 37 H LYS 37 -5.200 1.585 -4.583 220 HA LYS 37 HA LYS 37 -6.075 -0.368 -2.598 221 1HB LYS 37 2HB LYS 37 -8.018 1.351 -3.957 222 2HB LYS 37 1HB LYS 37 -8.319 -0.363 -4.248 223 1HG LYS 37 2HG LYS 37 -8.551 -0.835 -1.946 224 2HG LYS 37 1HG LYS 37 -7.762 0.669 -1.468 225 1HD LYS 37 2HD LYS 37 -9.671 1.948 -2.409 226 2HD LYS 37 1HD LYS 37 -10.470 0.429 -2.815 227 1HE LYS 37 2HE LYS 37 -10.628 -0.196 -0.493 228 2HE LYS 37 1HE LYS 37 -9.609 1.159 -0.005 229 1HZ LYS 37 1HZ LYS 37 -12.355 1.251 -1.109 230 2HZ LYS 37 2HZ LYS 37 -11.356 2.624 -1.034 231 3HZ LYS 37 3HZ LYS 37 -11.812 1.823 0.394 232 H PHE 38 H PHE 38 -6.758 -2.429 -3.735 233 HA PHE 38 HA PHE 38 -4.985 -2.874 -6.032 234 1HB PHE 38 2HB PHE 38 -6.371 -4.522 -4.039 235 2HB PHE 38 1HB PHE 38 -6.413 -5.211 -5.660 236 HD1 PHE 38 HD1 PHE 38 -3.920 -4.426 -6.878 237 HD2 PHE 38 HD2 PHE 38 -4.680 -5.594 -2.813 238 HE1 PHE 38 HE1 PHE 38 -1.566 -5.168 -6.648 239 HE2 PHE 38 HE2 PHE 38 -2.325 -6.334 -2.589 240 HZ PHE 38 HZ PHE 38 -0.769 -6.125 -4.507 241 H SER 39 H SER 39 -5.728 -2.329 -8.025 242 HA SER 39 HA SER 39 -8.384 -1.822 -8.767 243 1HB SER 39 2HB SER 39 -7.657 -1.988 -11.040 244 2HB SER 39 1HB SER 39 -6.254 -1.422 -10.137 245 HG SER 39 HG SER 39 -6.555 -3.662 -11.577 246 H ARG 40 H ARG 40 -10.082 -3.141 -9.481 247 HA ARG 40 HA ARG 40 -10.034 -5.893 -8.641 248 1HB ARG 40 2HB ARG 40 -12.094 -4.878 -10.531 249 2HB ARG 40 1HB ARG 40 -12.293 -5.931 -9.137 250 1HG ARG 40 2HG ARG 40 -13.005 -4.091 -8.031 251 2HG ARG 40 1HG ARG 40 -11.315 -3.586 -8.025 252 1HD ARG 40 2HD ARG 40 -12.124 -1.749 -9.107 253 2HD ARG 40 1HD ARG 40 -12.056 -2.798 -10.522 254 HE ARG 40 HE ARG 40 -14.476 -3.256 -10.177 255 1HH1 ARG 40 1HH1 ARG 40 -14.509 -2.244 -7.300 256 2HH1 ARG 40 2HH1 ARG 40 -15.329 -0.730 -7.489 257 1HH2 ARG 40 1HH2 ARG 40 -14.886 -0.617 -10.925 258 2HH2 ARG 40 2HH2 ARG 40 -15.542 0.191 -9.541 259 H ALA 41 H ALA 41 -10.158 -7.774 -10.046 260 HA ALA 41 HA ALA 41 -8.344 -7.852 -12.161 261 1HB ALA 41 1HB ALA 41 -8.894 -10.030 -12.058 262 2HB ALA 41 2HB ALA 41 -10.446 -9.671 -12.816 263 3HB ALA 41 3HB ALA 41 -10.291 -9.630 -11.059 264 H GLY 42 H GLY 42 -9.032 -8.372 -14.551 265 1HA GLY 42 2HA GLY 42 -10.059 -7.619 -16.528 266 2HA GLY 42 1HA GLY 42 -11.404 -7.066 -15.536 267 H LYS 43 H LYS 43 -8.295 -5.978 -14.533 268 HA LYS 43 HA LYS 43 -9.056 -3.224 -15.157 269 1HB LYS 43 2HB LYS 43 -7.950 -3.601 -13.052 270 2HB LYS 43 1HB LYS 43 -6.610 -4.417 -13.853 271 1HG LYS 43 2HG LYS 43 -5.851 -2.196 -13.379 272 2HG LYS 43 1HG LYS 43 -6.183 -2.253 -15.110 273 1HD LYS 43 2HD LYS 43 -8.562 -1.425 -14.453 274 2HD LYS 43 1HD LYS 43 -7.808 -0.966 -12.925 275 1HE LYS 43 2HE LYS 43 -5.998 0.048 -14.681 276 2HE LYS 43 1HE LYS 43 -7.480 0.215 -15.623 277 1HZ LYS 43 1HZ LYS 43 -6.815 1.389 -13.000 278 2HZ LYS 43 2HZ LYS 43 -8.434 1.185 -13.470 279 3HZ LYS 43 3HZ LYS 43 -7.395 2.159 -14.396 280 H ILE 44 H ILE 44 -8.581 -2.257 -17.082 281 HA ILE 44 HA ILE 44 -6.778 -3.561 -18.967 282 HB ILE 44 HB ILE 44 -8.665 -2.475 -19.920 283 1HG1 ILE 44 2HG1 ILE 44 -7.595 -0.521 -21.211 284 2HG1 ILE 44 1HG1 ILE 44 -6.129 -0.862 -20.293 285 1HG2 ILE 44 1HG2 ILE 44 -8.037 -0.468 -17.871 286 2HG2 ILE 44 2HG2 ILE 44 -9.590 -0.904 -18.584 287 3HG2 ILE 44 3HG2 ILE 44 -8.522 0.226 -19.418 288 1HD1 ILE 44 1HD1 ILE 44 -6.543 -2.031 -22.630 289 2HD1 ILE 44 2HD1 ILE 44 -7.531 -3.127 -21.666 290 3HD1 ILE 44 3HD1 ILE 44 -5.817 -2.933 -21.301 291 H CYS 45 H CYS 45 -4.733 -3.512 -18.050 292 HA CYS 45 HA CYS 45 -3.537 -0.964 -17.174 293 1HB CYS 45 2HB CYS 45 -1.511 -2.449 -16.808 294 2HB CYS 45 1HB CYS 45 -2.933 -2.866 -15.874 295 H ARG 46 H ARG 46 -3.927 -2.599 -20.110 296 HA ARG 46 HA ARG 46 -2.310 -0.712 -21.548 297 1HB ARG 46 2HB ARG 46 -0.669 -2.479 -20.396 298 2HB ARG 46 1HB ARG 46 -1.116 -3.438 -21.808 299 1HG ARG 46 2HG ARG 46 -0.571 -1.332 -23.191 300 2HG ARG 46 1HG ARG 46 0.228 -0.736 -21.736 301 1HD ARG 46 2HD ARG 46 0.876 -3.269 -23.268 302 2HD ARG 46 1HD ARG 46 1.901 -1.845 -23.082 303 HE ARG 46 HE ARG 46 1.350 -3.863 -20.975 304 1HH1 ARG 46 1HH2 ARG 46 1.548 -0.944 -20.039 305 2HH1 ARG 46 2HH2 ARG 46 3.223 -0.857 -19.609 306 1HH2 ARG 46 1HH1 ARG 46 4.079 -3.765 -21.294 307 2HH2 ARG 46 2HH1 ARG 46 4.657 -2.454 -20.320 308 H ILE 47 H ILE 47 -2.550 -0.988 -23.843 309 HA ILE 47 HA ILE 47 -4.761 -2.847 -24.556 310 HB ILE 47 HB ILE 47 -5.144 -0.522 -25.159 311 1HG1 ILE 47 2HG1 ILE 47 -5.235 -0.782 -27.699 312 2HG1 ILE 47 1HG1 ILE 47 -4.433 -2.338 -27.476 313 1HG2 ILE 47 1HG2 ILE 47 -3.287 0.726 -25.505 314 2HG2 ILE 47 2HG2 ILE 47 -3.297 0.080 -27.146 315 3HG2 ILE 47 3HG2 ILE 47 -2.317 -0.692 -25.900 316 1HD1 ILE 47 1HD1 ILE 47 -6.769 -1.876 -25.723 317 2HD1 ILE 47 2HD1 ILE 47 -6.299 -3.323 -26.615 318 3HD1 ILE 47 3HD1 ILE 47 -7.141 -2.012 -27.442 319 H ALA 48 H ALA 48 -4.471 -4.458 -26.107 320 HA ALA 48 HA ALA 48 -1.929 -5.581 -26.524 321 1HB ALA 48 1HB ALA 48 -3.166 -6.501 -28.716 322 2HB ALA 48 2HB ALA 48 -4.576 -5.851 -27.881 323 3HB ALA 48 3HB ALA 48 -3.581 -7.082 -27.103 324 H LYS 49 H LYS 49 -1.151 -5.908 -29.001 325 HA LYS 49 HA LYS 49 -0.743 -3.162 -30.061 326 1HB LYS 49 2HB LYS 49 0.998 -5.583 -30.377 327 2HB LYS 49 1HB LYS 49 1.368 -3.967 -30.967 328 1HG LYS 49 2HG LYS 49 0.681 -3.853 -28.168 329 2HG LYS 49 1HG LYS 49 1.963 -5.039 -28.417 330 1HD LYS 49 2HD LYS 49 3.293 -3.380 -29.641 331 2HD LYS 49 1HD LYS 49 2.002 -2.192 -29.461 332 1HE LYS 49 2HE LYS 49 2.719 -3.355 -26.895 333 2HE LYS 49 1HE LYS 49 4.120 -2.625 -27.680 334 1HZ LYS 49 1HZ LYS 49 1.523 -1.340 -27.058 335 2HZ LYS 49 2HZ LYS 49 2.683 -0.638 -28.080 336 3HZ LYS 49 3HZ LYS 49 3.052 -0.933 -26.449 337 H GLY 50 H GLY 50 -0.306 -6.358 -31.449 338 1HA GLY 50 2HA GLY 50 -1.191 -5.603 -34.042 339 2HA GLY 50 1HA GLY 50 -1.068 -7.266 -33.473 340 H ASP 51 H ASP 51 -2.884 -7.756 -31.744 341 HA ASP 51 HA ASP 51 -5.326 -6.511 -31.531 342 1HB ASP 51 2HB ASP 51 -4.876 -7.359 -34.261 343 2HB ASP 51 1HB ASP 51 -6.303 -8.135 -33.580 344 H TRP 52 H TRP 52 -5.934 -7.743 -29.804 345 HA TRP 52 HA TRP 52 -6.963 -10.340 -30.010 346 1HB TRP 52 2HB TRP 52 -4.919 -11.454 -28.706 347 2HB TRP 52 1HB TRP 52 -4.986 -11.440 -30.467 348 HD1 TRP 52 HD1 TRP 52 -4.107 -8.423 -28.259 349 HE1 TRP 52 HE1 TRP 52 -1.714 -7.657 -28.834 350 HE3 TRP 52 HE3 TRP 52 -2.780 -12.094 -31.516 351 HZ2 TRP 52 HZ2 TRP 52 0.475 -8.492 -30.479 352 HZ3 TRP 52 HZ3 TRP 52 -0.541 -12.097 -32.583 353 HH2 TRP 52 HH2 TRP 52 1.088 -10.299 -32.067 354 H ASN 53 H ASN 53 -8.202 -8.750 -28.592 355 HA ASN 53 HA ASN 53 -9.011 -8.234 -26.453 356 1HB ASN 53 2HB ASN 53 -7.717 -10.759 -26.209 357 2HB ASN 53 1HB ASN 53 -7.264 -9.797 -24.799 358 1HD2 ASN 53 1HD2 ASN 53 -8.674 -11.062 -23.373 359 2HD2 ASN 53 2HD2 ASN 53 -10.362 -10.903 -23.442 360 H ASP 54 H ASP 54 -7.793 -7.818 -24.043 361 HA ASP 54 HA ASP 54 -5.465 -6.063 -24.704 362 1HB ASP 54 2HB ASP 54 -6.905 -5.034 -22.446 363 2HB ASP 54 1HB ASP 54 -6.563 -4.244 -23.980 364 H ASP 55 H ASP 55 -4.740 -5.246 -22.222 365 HA ASP 55 HA ASP 55 -3.998 -7.817 -20.920 366 1HB ASP 55 2HB ASP 55 -2.482 -5.591 -21.650 367 2HB ASP 55 1HB ASP 55 -2.662 -5.454 -19.902 368 H ARG 56 H ARG 56 -5.677 -8.226 -19.488 369 HA ARG 56 HA ARG 56 -6.695 -6.060 -17.770 370 1HB ARG 56 2HB ARG 56 -7.404 -8.976 -17.768 371 2HB ARG 56 1HB ARG 56 -8.311 -7.672 -17.018 372 1HG ARG 56 2HG ARG 56 -7.704 -7.558 -19.956 373 2HG ARG 56 1HG ARG 56 -9.045 -8.551 -19.383 374 1HD ARG 56 2HD ARG 56 -9.336 -6.146 -17.995 375 2HD ARG 56 1HD ARG 56 -8.867 -5.652 -19.621 376 HE ARG 56 HE ARG 56 -10.958 -7.678 -19.630 377 1HH1 ARG 56 1HH2 ARG 56 -12.239 -5.667 -17.944 378 2HH1 ARG 56 2HH2 ARG 56 -12.896 -4.540 -19.083 379 1HH2 ARG 56 1HH1 ARG 56 -10.929 -5.645 -21.715 380 2HH2 ARG 56 2HH1 ARG 56 -12.155 -4.529 -21.217 381 H CYS 57 H CYS 57 -6.437 -6.061 -15.474 382 HA CYS 57 HA CYS 57 -4.058 -7.574 -14.564 383 1HB CYS 57 2HB CYS 57 -5.602 -5.570 -12.924 384 2HB CYS 57 1HB CYS 57 -3.926 -6.066 -12.752 385 H THR 58 H THR 58 -4.245 -8.530 -12.315 386 HA THR 58 HA THR 58 -6.614 -10.226 -12.165 387 HB THR 58 HB THR 58 -5.449 -11.401 -10.474 388 HG1 THR 58 HG1 THR 58 -3.480 -10.165 -9.619 389 1HG2 THR 58 1HG2 THR 58 -4.150 -10.729 -12.835 390 2HG2 THR 58 2HG2 THR 58 -3.677 -12.021 -11.731 391 3HG2 THR 58 3HG2 THR 58 -2.931 -10.428 -11.596 392 H GLY 59 H GLY 59 -7.308 -10.450 -9.580 393 1HA GLY 59 1HA GLY 59 -8.596 -7.859 -9.040 394 2HA GLY 59 2HA GLY 59 -8.933 -9.375 -8.204 395 H GLN 60 H GLN 60 -5.600 -8.640 -8.519 396 HA GLN 60 HA GLN 60 -5.406 -7.073 -6.058 397 1HB GLN 60 2HB GLN 60 -4.051 -8.844 -4.882 398 2HB GLN 60 1HB GLN 60 -5.761 -9.246 -5.052 399 1HG GLN 60 2HG GLN 60 -5.361 -10.833 -6.717 400 2HG GLN 60 1HG GLN 60 -3.816 -10.113 -7.171 401 1HE2 GLN 60 1HE2 GLN 60 -2.524 -9.927 -4.679 402 2HE2 GLN 60 2HE2 GLN 60 -2.301 -11.483 -4.040 403 H SER 61 H SER 61 -4.478 -7.049 -8.912 404 HA SER 61 HA SER 61 -1.534 -7.268 -8.540 405 1HB SER 61 2HB SER 61 -1.899 -8.205 -10.599 406 2HB SER 61 1HB SER 61 -3.386 -7.299 -10.862 407 HG SER 61 HG SER 61 -0.856 -6.041 -10.819 408 H ALA 62 H ALA 62 -0.231 -5.456 -8.518 409 HA ALA 62 HA ALA 62 -1.627 -2.825 -8.525 410 1HB ALA 62 1HB ALA 62 0.925 -2.282 -7.719 411 2HB ALA 62 2HB ALA 62 0.751 -3.944 -7.157 412 3HB ALA 62 3HB ALA 62 -0.381 -2.706 -6.612 413 H ASP 63 H ASP 63 0.818 -4.711 -10.154 414 HA ASP 63 HA ASP 63 1.351 -2.416 -11.979 415 1HB ASP 63 2HB ASP 63 2.962 -4.876 -11.364 416 2HB ASP 63 1HB ASP 63 3.365 -3.763 -12.662 417 H CYS 64 H CYS 64 2.287 -3.900 -14.172 418 HA CYS 64 HA CYS 64 0.064 -5.756 -14.823 419 1HB CYS 64 2HB CYS 64 -0.665 -3.574 -15.646 420 2HB CYS 64 1HB CYS 64 0.855 -3.369 -16.516 421 HA PRO 65 HA PRO 65 3.632 -7.837 -16.377 422 1HB PRO 65 2HB PRO 65 2.275 -10.170 -16.845 423 2HB PRO 65 1HB PRO 65 2.879 -9.703 -15.255 424 1HG PRO 65 2HG PRO 65 0.093 -9.732 -16.290 425 2HG PRO 65 1HG PRO 65 0.669 -9.825 -14.617 426 1HD PRO 65 2HD PRO 65 -0.401 -7.534 -15.897 427 2HD PRO 65 1HD PRO 65 0.433 -7.572 -14.330 428 H ARG 66 H ARG 66 3.283 -9.792 -18.408 429 HA ARG 66 HA ARG 66 2.151 -8.176 -20.625 430 1HB ARG 66 2HB ARG 66 3.952 -9.076 -22.065 431 2HB ARG 66 1HB ARG 66 4.606 -8.158 -20.708 432 1HG ARG 66 2HG ARG 66 5.093 -10.190 -19.486 433 2HG ARG 66 1HG ARG 66 4.269 -11.169 -20.701 434 1HD ARG 66 2HD ARG 66 6.073 -11.177 -22.064 435 2HD ARG 66 1HD ARG 66 6.332 -9.445 -21.858 436 HE ARG 66 HE ARG 66 7.277 -10.312 -19.504 437 1HH1 ARG 66 1HH1 ARG 66 8.152 -10.754 -22.736 438 2HH1 ARG 66 2HH1 ARG 66 9.440 -11.865 -22.409 439 1HH2 ARG 66 1HH2 ARG 66 8.701 -12.138 -19.032 440 2HH2 ARG 66 2HH2 ARG 66 9.751 -12.649 -20.310 441 H TYR 67 H TYR 67 1.340 -9.456 -22.451 442 HA TYR 67 HA TYR 67 0.687 -12.250 -21.702 443 1HB TYR 67 2HB TYR 67 -1.108 -10.093 -22.048 444 2HB TYR 67 1HB TYR 67 -1.307 -11.155 -23.441 445 HD1 TYR 67 HD1 TYR 67 -3.064 -12.655 -23.152 446 HD2 TYR 67 HD2 TYR 67 -0.545 -11.703 -19.803 447 HE1 TYR 67 HE1 TYR 67 -4.318 -14.270 -21.747 448 HE2 TYR 67 HE2 TYR 67 -1.799 -13.319 -18.400 449 HH TYR 67 HH TYR 67 -4.267 -14.307 -18.498 450 H HIS 68 HN HIS 68 0.992 -9.947 -24.403 451 HA HIS 68 HA HIS 68 2.253 -12.097 -25.997 452 1HB HIS 68 2HB HIS 68 -0.338 -11.933 -26.390 453 2HB HIS 68 1HB HIS 68 0.080 -10.485 -27.306 454 HD1 HIS 68 HD1 HIS 68 -0.903 -12.226 -29.277 455 HD2 HIS 68 HD2 HIS 68 2.912 -12.949 -27.759 456 HE1 HIS 68 HE1 HIS 68 0.270 -13.706 -30.964 Start of MODEL 15 1 1H GLY 1 1HT GLY 1 17.405 -3.269 0.274 2 2H GLY 1 2HT GLY 1 18.662 -4.332 -0.152 3 3H GLY 1 3HT GLY 1 17.217 -4.939 0.506 4 1HA GLY 1 1HA GLY 1 17.851 -4.271 -2.209 5 2HA GLY 1 2HA GLY 1 16.559 -5.291 -1.575 6 H LYS 2 H LYS 2 14.699 -4.474 -2.447 7 HA LYS 2 HA LYS 2 14.353 -1.540 -2.662 8 1HB LYS 2 2HB LYS 2 13.039 -3.946 -3.832 9 2HB LYS 2 1HB LYS 2 12.026 -2.520 -3.597 10 1HG LYS 2 2HG LYS 2 13.578 -1.152 -4.891 11 2HG LYS 2 1HG LYS 2 14.688 -2.515 -5.049 12 1HD LYS 2 2HD LYS 2 12.202 -3.487 -5.928 13 2HD LYS 2 1HD LYS 2 12.347 -1.879 -6.637 14 1HE LYS 2 2HE LYS 2 13.468 -3.149 -8.227 15 2HE LYS 2 1HE LYS 2 14.807 -2.679 -7.178 16 1HZ LYS 2 1HZ LYS 2 13.423 -5.063 -6.336 17 2HZ LYS 2 2HZ LYS 2 15.089 -4.765 -6.475 18 3HZ LYS 2 3HZ LYS 2 14.187 -5.213 -7.842 19 H GLU 3 H GLU 3 13.125 -0.394 -1.226 20 HA GLU 3 HA GLU 3 11.098 -1.795 0.408 21 1HB GLU 3 2HB GLU 3 13.695 -0.931 1.399 22 2HB GLU 3 1HB GLU 3 12.363 -0.200 2.293 23 1HG GLU 3 2HG GLU 3 12.244 -3.129 1.670 24 2HG GLU 3 1HG GLU 3 13.296 -2.586 2.976 25 H CYS 4 H CYS 4 10.795 0.095 -1.680 26 HA CYS 4 HA CYS 4 9.660 2.361 -0.113 27 1HB CYS 4 2HB CYS 4 11.230 2.514 -2.695 28 2HB CYS 4 1HB CYS 4 10.215 3.832 -2.112 29 H ASP 5 H ASP 5 7.723 0.997 -0.296 30 HA ASP 5 HA ASP 5 6.413 -0.030 -2.447 31 1HB ASP 5 2HB ASP 5 5.627 0.548 0.048 32 2HB ASP 5 1HB ASP 5 4.761 1.827 -0.803 33 H CYS 6 H CYS 6 6.432 3.480 -1.690 34 HA CYS 6 HA CYS 6 5.446 3.920 -4.480 35 1HB CYS 6 2HB CYS 6 4.425 5.948 -3.754 36 2HB CYS 6 1HB CYS 6 4.027 4.752 -2.521 37 H SER 7 H SER 7 6.269 6.066 -5.426 38 HA SER 7 HA SER 7 9.166 6.342 -4.739 39 1HB SER 7 2HB SER 7 9.430 7.143 -7.087 40 2HB SER 7 1HB SER 7 8.812 5.497 -7.002 41 HG SER 7 HG SER 7 6.968 7.591 -7.007 42 H SER 8 H SER 8 6.464 7.818 -3.941 43 HA SER 8 HA SER 8 7.614 10.548 -4.316 44 1HB SER 8 2HB SER 8 5.057 9.569 -5.079 45 2HB SER 8 1HB SER 8 4.823 10.695 -3.745 46 HG SER 8 HG SER 8 5.268 11.288 -6.243 47 HA PRO 9 HA PRO 9 7.615 10.356 0.135 48 1HB PRO 9 2HB PRO 9 8.753 12.830 0.501 49 2HB PRO 9 1HB PRO 9 9.677 11.386 0.053 50 1HG PRO 9 2HG PRO 9 8.903 13.715 -1.636 51 2HG PRO 9 1HG PRO 9 10.270 12.604 -1.816 52 1HD PRO 9 2HD PRO 9 7.857 12.534 -3.306 53 2HD PRO 9 1HD PRO 9 9.097 11.263 -3.256 54 H GLU 10 H GLU 10 5.579 12.070 -1.805 55 HA GLU 10 HA GLU 10 4.330 13.480 0.521 56 1HB GLU 10 2HB GLU 10 5.285 14.741 -1.674 57 2HB GLU 10 1HB GLU 10 3.658 14.362 -2.238 58 1HG GLU 10 2HG GLU 10 3.570 15.330 0.487 59 2HG GLU 10 1HG GLU 10 4.411 16.485 -0.545 60 H ASN 11 H ASN 11 4.009 11.031 -1.800 61 HA ASN 11 HA ASN 11 1.229 11.087 -2.363 62 1HB ASN 11 2HB ASN 11 3.383 9.365 -2.891 63 2HB ASN 11 1HB ASN 11 2.209 8.380 -2.019 64 1HD2 ASN 11 1HD2 ASN 11 2.196 7.401 -4.397 65 2HD2 ASN 11 2HD2 ASN 11 1.028 8.050 -5.443 66 HA PRO 12 HA PRO 12 -0.291 10.071 1.694 67 1HB PRO 12 2HB PRO 12 -2.939 9.960 0.979 68 2HB PRO 12 1HB PRO 12 -2.057 11.479 1.221 69 1HG PRO 12 2HG PRO 12 -2.932 10.205 -1.325 70 2HG PRO 12 1HG PRO 12 -2.613 11.912 -0.977 71 1HD PRO 12 2HD PRO 12 -0.873 10.122 -2.339 72 2HD PRO 12 1HD PRO 12 -0.463 11.746 -1.747 73 H CYS 13 H CYS 13 0.755 7.851 0.134 74 HA CYS 13 HA CYS 13 -1.119 5.734 1.037 75 1HB CYS 13 2HB CYS 13 -0.897 6.456 -1.663 76 2HB CYS 13 1HB CYS 13 0.057 4.987 -1.483 77 H CYS 14 H CYS 14 1.779 6.929 1.502 78 HA CYS 14 HA CYS 14 2.867 4.289 2.125 79 1HB CYS 14 2HB CYS 14 5.048 4.839 0.894 80 2HB CYS 14 1HB CYS 14 3.681 4.342 -0.101 81 H ASP 15 H ASP 15 3.754 4.474 4.072 82 HA ASP 15 HA ASP 15 4.144 6.855 5.506 83 1HB ASP 15 2HB ASP 15 4.209 4.314 6.214 84 2HB ASP 15 1HB ASP 15 5.937 4.536 5.991 85 H ALA 16 H ALA 16 5.623 8.460 5.247 86 HA ALA 16 HA ALA 16 7.763 8.245 3.338 87 1HB ALA 16 1HB ALA 16 6.476 10.357 4.209 88 2HB ALA 16 2HB ALA 16 8.182 10.500 3.788 89 3HB ALA 16 3HB ALA 16 7.700 10.352 5.478 90 H ALA 17 H ALA 17 7.488 7.513 6.707 91 HA ALA 17 HA ALA 17 10.189 7.853 7.536 92 1HB ALA 17 1HB ALA 17 9.184 7.196 9.441 93 2HB ALA 17 2HB ALA 17 9.210 5.544 8.826 94 3HB ALA 17 3HB ALA 17 7.802 6.567 8.545 95 H THR 18 H THR 18 8.630 5.322 5.658 96 HA THR 18 HA THR 18 11.322 4.149 5.156 97 HB THR 18 HB THR 18 10.330 2.689 6.830 98 HG1 THR 18 HG1 THR 18 10.725 0.939 5.711 99 1HG2 THR 18 1HG2 THR 18 8.059 2.920 6.927 100 2HG2 THR 18 2HG2 THR 18 8.088 1.539 5.831 101 3HG2 THR 18 3HG2 THR 18 7.909 3.171 5.188 102 H CYS 19 H CYS 19 9.426 5.891 3.655 103 HA CYS 19 HA CYS 19 8.278 5.978 1.598 104 1HB CYS 19 2HB CYS 19 9.721 5.120 -0.266 105 2HB CYS 19 1HB CYS 19 10.582 6.143 0.879 106 H LYS 20 H LYS 20 7.533 3.611 3.310 107 HA LYS 20 HA LYS 20 6.849 1.671 1.151 108 1HB LYS 20 2HB LYS 20 7.164 1.444 4.117 109 2HB LYS 20 1HB LYS 20 6.015 0.375 3.311 110 1HG LYS 20 2HG LYS 20 8.258 0.288 1.662 111 2HG LYS 20 1HG LYS 20 8.934 0.291 3.292 112 1HD LYS 20 2HD LYS 20 6.813 -1.606 2.239 113 2HD LYS 20 1HD LYS 20 8.493 -2.013 2.594 114 1HE LYS 20 2HE LYS 20 6.809 -0.777 4.746 115 2HE LYS 20 1HE LYS 20 6.613 -2.491 4.385 116 1HZ LYS 20 1HZ LYS 20 9.191 -1.166 5.028 117 2HZ LYS 20 2HZ LYS 20 8.961 -2.824 4.737 118 3HZ LYS 20 3HZ LYS 20 8.275 -2.096 6.112 119 H LEU 21 H LEU 21 4.547 0.671 1.549 120 HA LEU 21 HA LEU 21 2.637 2.746 1.198 121 1HB LEU 21 2HB LEU 21 2.518 -0.182 1.593 122 2HB LEU 21 1HB LEU 21 1.067 0.712 2.044 123 HG LEU 21 HG LEU 21 2.405 1.263 -0.598 124 1HD1 LEU 21 1HD1 LEU 21 1.457 -1.270 0.127 125 2HD1 LEU 21 2HD1 LEU 21 1.731 -0.680 -1.514 126 3HD1 LEU 21 3HD1 LEU 21 0.134 -0.536 -0.780 127 1HD2 LEU 21 1HD2 LEU 21 0.133 2.209 0.800 128 2HD2 LEU 21 2HD2 LEU 21 -0.480 1.230 -0.532 129 3HD2 LEU 21 3HD2 LEU 21 0.600 2.585 -0.857 130 H ARG 22 H ARG 22 0.564 2.652 2.581 131 HA ARG 22 HA ARG 22 1.338 2.913 5.446 132 1HB ARG 22 2HB ARG 22 -0.620 4.506 5.584 133 2HB ARG 22 1HB ARG 22 0.702 5.088 4.571 134 1HG ARG 22 2HG ARG 22 -0.462 4.661 2.580 135 2HG ARG 22 1HG ARG 22 -1.557 3.514 3.355 136 1HD ARG 22 2HD ARG 22 -1.565 6.355 4.302 137 2HD ARG 22 1HD ARG 22 -2.367 5.974 2.778 138 HE ARG 22 HE ARG 22 -3.203 4.105 4.784 139 1HH1 ARG 22 1HH1 ARG 22 -3.242 6.994 5.981 140 2HH1 ARG 22 2HH1 ARG 22 -4.908 7.393 5.724 141 1HH2 ARG 22 1HH2 ARG 22 -5.468 4.782 3.513 142 2HH2 ARG 22 2HH2 ARG 22 -6.168 6.142 4.326 143 HA PRO 23 HA PRO 23 -1.434 -0.405 6.220 144 1HB PRO 23 2HB PRO 23 -2.199 0.326 8.779 145 2HB PRO 23 1HB PRO 23 -0.664 -0.468 8.384 146 1HG PRO 23 2HG PRO 23 -1.196 2.448 8.924 147 2HG PRO 23 1HG PRO 23 0.215 1.465 9.368 148 1HD PRO 23 2HD PRO 23 0.250 3.184 7.211 149 2HD PRO 23 1HD PRO 23 1.205 1.693 7.270 150 H GLY 24 H GLY 24 -2.943 0.392 4.590 151 1HA GLY 24 2HA GLY 24 -5.595 0.751 5.532 152 2HA GLY 24 1HA GLY 24 -4.973 2.330 5.044 153 H ALA 25 H ALA 25 -3.768 2.214 2.828 154 HA ALA 25 HA ALA 25 -5.633 1.131 0.880 155 1HB ALA 25 1HB ALA 25 -4.131 2.201 -0.767 156 2HB ALA 25 2HB ALA 25 -2.971 2.532 0.516 157 3HB ALA 25 3HB ALA 25 -4.550 3.316 0.533 158 H GLN 26 H GLN 26 -4.123 0.236 -1.200 159 HA GLN 26 HA GLN 26 -2.577 -2.055 -0.052 160 1HB GLN 26 2HB GLN 26 -4.984 -2.161 -1.509 161 2HB GLN 26 1HB GLN 26 -3.722 -2.645 -2.644 162 1HG GLN 26 2HG GLN 26 -3.317 -4.587 -1.547 163 2HG GLN 26 1HG GLN 26 -3.408 -3.812 0.035 164 1HE2 GLN 26 1HE2 GLN 26 -5.697 -4.542 -2.672 165 2HE2 GLN 26 2HE2 GLN 26 -6.946 -5.081 -1.658 166 H CYS 27 H CYS 27 -2.364 0.697 -1.884 167 HA CYS 27 HA CYS 27 0.257 0.091 -2.826 168 1HB CYS 27 2HB CYS 27 -0.274 -1.077 -4.683 169 2HB CYS 27 1HB CYS 27 -1.964 -0.623 -4.581 170 H GLY 28 H GLY 28 1.257 1.974 -3.784 171 1HA GLY 28 2HA GLY 28 -0.304 4.458 -3.261 172 2HA GLY 28 1HA GLY 28 1.456 4.354 -3.272 173 H GLU 29 H GLU 29 1.119 2.578 -5.774 174 HA GLU 29 HA GLU 29 -0.036 4.186 -7.843 175 1HB GLU 29 2HB GLU 29 1.919 5.209 -8.809 176 2HB GLU 29 1HB GLU 29 1.880 5.671 -7.108 177 1HG GLU 29 2HG GLU 29 3.468 3.861 -6.575 178 2HG GLU 29 1HG GLU 29 3.510 3.395 -8.276 179 H GLY 30 H GLY 30 -0.185 2.907 -9.658 180 1HA GLY 30 2HA GLY 30 1.826 1.025 -10.460 181 2HA GLY 30 1HA GLY 30 0.508 0.189 -9.642 182 H LEU 31 H LEU 31 0.711 -0.585 -12.158 183 HA LEU 31 HA LEU 31 -0.605 1.116 -14.091 184 1HB LEU 31 2HB LEU 31 0.593 -1.502 -14.026 185 2HB LEU 31 1HB LEU 31 -0.925 -1.543 -14.916 186 HG LEU 31 HG LEU 31 1.028 -0.982 -16.368 187 1HD1 LEU 31 1HD1 LEU 31 -0.093 0.712 -17.565 188 2HD1 LEU 31 2HD1 LEU 31 -0.708 1.467 -16.093 189 3HD1 LEU 31 3HD1 LEU 31 -1.385 -0.064 -16.649 190 1HD2 LEU 31 1HD2 LEU 31 2.520 0.211 -15.002 191 2HD2 LEU 31 2HD2 LEU 31 1.247 1.243 -14.351 192 3HD2 LEU 31 3HD2 LEU 31 1.821 1.485 -16.000 193 H CYS 32 H CYS 32 -1.700 -0.987 -11.586 194 HA CYS 32 HA CYS 32 -4.507 -0.499 -12.458 195 1HB CYS 32 2HB CYS 32 -3.318 -3.146 -11.585 196 2HB CYS 32 1HB CYS 32 -5.053 -2.839 -11.675 197 H CYS 33 H CYS 33 -3.719 1.176 -10.674 198 HA CYS 33 HA CYS 33 -4.453 -0.004 -8.025 199 1HB CYS 33 2HB CYS 33 -2.352 2.006 -8.779 200 2HB CYS 33 1HB CYS 33 -3.094 2.086 -7.182 201 H GLU 34 H GLU 34 -6.628 0.556 -8.008 202 HA GLU 34 HA GLU 34 -7.739 2.979 -9.001 203 1HB GLU 34 2HB GLU 34 -8.861 0.768 -8.082 204 2HB GLU 34 1HB GLU 34 -8.878 1.676 -6.576 205 1HG GLU 34 2HG GLU 34 -10.790 2.623 -7.321 206 2HG GLU 34 1HG GLU 34 -9.770 3.528 -8.440 207 H GLN 35 H GLN 35 -9.071 4.124 -6.751 208 HA GLN 35 HA GLN 35 -7.129 5.983 -5.859 209 1HB GLN 35 2HB GLN 35 -9.712 6.146 -5.757 210 2HB GLN 35 1HB GLN 35 -9.571 5.267 -4.235 211 1HG GLN 35 2HG GLN 35 -9.093 7.206 -3.201 212 2HG GLN 35 1HG GLN 35 -7.617 7.319 -4.161 213 1HE2 GLN 35 1HE2 GLN 35 -11.158 7.828 -4.719 214 2HE2 GLN 35 2HE2 GLN 35 -10.955 9.270 -5.592 215 H CYS 36 H CYS 36 -5.310 4.805 -5.117 216 HA CYS 36 HA CYS 36 -4.012 3.568 -3.609 217 1HB CYS 36 2HB CYS 36 -5.918 5.182 -1.970 218 2HB CYS 36 1HB CYS 36 -4.970 3.942 -1.152 219 H LYS 37 H LYS 37 -5.765 1.877 -4.896 220 HA LYS 37 HA LYS 37 -6.130 -0.185 -2.858 221 1HB LYS 37 2HB LYS 37 -8.337 1.500 -3.505 222 2HB LYS 37 1HB LYS 37 -8.657 -0.091 -4.198 223 1HG LYS 37 2HG LYS 37 -7.699 -0.843 -1.786 224 2HG LYS 37 1HG LYS 37 -8.403 0.715 -1.349 225 1HD LYS 37 2HD LYS 37 -10.364 -0.364 -2.949 226 2HD LYS 37 1HD LYS 37 -9.737 -1.791 -2.122 227 1HE LYS 37 2HE LYS 37 -10.264 0.673 -0.504 228 2HE LYS 37 1HE LYS 37 -11.638 -0.312 -1.008 229 1HZ LYS 37 1HZ LYS 37 -10.027 -0.781 1.142 230 2HZ LYS 37 2HZ LYS 37 -9.476 -1.894 -0.018 231 3HZ LYS 37 3HZ LYS 37 -11.111 -1.885 0.446 232 H PHE 38 H PHE 38 -5.742 -2.140 -3.797 233 HA PHE 38 HA PHE 38 -4.892 -2.488 -6.434 234 1HB PHE 38 2HB PHE 38 -6.186 -4.383 -4.476 235 2HB PHE 38 1HB PHE 38 -5.743 -4.927 -6.091 236 HD1 PHE 38 HD1 PHE 38 -3.530 -2.334 -5.187 237 HD2 PHE 38 HD2 PHE 38 -4.339 -6.487 -4.434 238 HE1 PHE 38 HE1 PHE 38 -1.187 -2.661 -4.446 239 HE2 PHE 38 HE2 PHE 38 -1.995 -6.807 -3.693 240 HZ PHE 38 HZ PHE 38 -0.420 -4.894 -3.698 241 H SER 39 H SER 39 -6.032 -1.972 -8.256 242 HA SER 39 HA SER 39 -8.808 -1.602 -8.444 243 1HB SER 39 2HB SER 39 -6.821 -2.446 -10.527 244 2HB SER 39 1HB SER 39 -8.485 -2.043 -10.912 245 HG SER 39 HG SER 39 -6.819 -0.308 -11.012 246 H ARG 40 H ARG 40 -10.026 -3.175 -10.238 247 HA ARG 40 HA ARG 40 -10.070 -5.795 -8.881 248 1HB ARG 40 2HB ARG 40 -12.084 -4.054 -9.919 249 2HB ARG 40 1HB ARG 40 -12.164 -5.587 -10.784 250 1HG ARG 40 2HG ARG 40 -11.805 -6.425 -8.195 251 2HG ARG 40 1HG ARG 40 -12.796 -4.983 -7.971 252 1HD ARG 40 2HD ARG 40 -13.523 -7.035 -10.055 253 2HD ARG 40 1HD ARG 40 -14.006 -7.250 -8.373 254 HE ARG 40 HE ARG 40 -14.742 -4.767 -9.863 255 1HH1 ARG 40 1HH1 ARG 40 -15.463 -5.385 -6.938 256 2HH1 ARG 40 2HH1 ARG 40 -17.112 -5.887 -7.114 257 1HH2 ARG 40 1HH2 ARG 40 -16.882 -6.350 -10.543 258 2HH2 ARG 40 2HH2 ARG 40 -17.915 -6.433 -9.155 259 H ALA 41 H ALA 41 -9.911 -7.745 -10.125 260 HA ALA 41 HA ALA 41 -8.079 -7.777 -12.247 261 1HB ALA 41 1HB ALA 41 -8.903 -9.783 -10.920 262 2HB ALA 41 2HB ALA 41 -8.758 -10.055 -12.657 263 3HB ALA 41 3HB ALA 41 -10.343 -9.770 -11.938 264 H GLY 42 H GLY 42 -8.891 -8.826 -14.530 265 1HA GLY 42 2HA GLY 42 -9.991 -8.320 -16.551 266 2HA GLY 42 1HA GLY 42 -11.369 -7.847 -15.565 267 H LYS 43 H LYS 43 -8.221 -6.410 -15.031 268 HA LYS 43 HA LYS 43 -9.352 -3.847 -16.037 269 1HB LYS 43 2HB LYS 43 -8.825 -3.515 -13.775 270 2HB LYS 43 1HB LYS 43 -7.373 -4.503 -13.874 271 1HG LYS 43 2HG LYS 43 -6.660 -2.202 -13.753 272 2HG LYS 43 1HG LYS 43 -6.390 -2.734 -15.408 273 1HD LYS 43 2HD LYS 43 -7.463 -0.526 -15.393 274 2HD LYS 43 1HD LYS 43 -8.558 -1.731 -16.072 275 1HE LYS 43 2HE LYS 43 -9.785 -1.890 -14.002 276 2HE LYS 43 1HE LYS 43 -8.597 -0.894 -13.162 277 1HZ LYS 43 1HZ LYS 43 -10.610 0.334 -13.831 278 2HZ LYS 43 2HZ LYS 43 -10.233 0.029 -15.459 279 3HZ LYS 43 3HZ LYS 43 -9.192 0.974 -14.506 280 H ILE 44 H ILE 44 -8.425 -2.934 -17.816 281 HA ILE 44 HA ILE 44 -6.203 -4.316 -19.093 282 HB ILE 44 HB ILE 44 -8.062 -3.296 -20.388 283 1HG1 ILE 44 2HG1 ILE 44 -6.617 -2.147 -22.063 284 2HG1 ILE 44 1HG1 ILE 44 -5.313 -2.104 -20.876 285 1HG2 ILE 44 1HG2 ILE 44 -6.973 -0.578 -20.150 286 2HG2 ILE 44 2HG2 ILE 44 -7.704 -1.178 -18.661 287 3HG2 ILE 44 3HG2 ILE 44 -8.651 -1.121 -20.148 288 1HD1 ILE 44 1HD1 ILE 44 -5.802 -4.167 -22.676 289 2HD1 ILE 44 2HD1 ILE 44 -6.459 -4.776 -21.157 290 3HD1 ILE 44 3HD1 ILE 44 -4.773 -4.265 -21.248 291 H CYS 45 H CYS 45 -4.235 -4.024 -18.117 292 HA CYS 45 HA CYS 45 -3.492 -1.456 -16.928 293 1HB CYS 45 2HB CYS 45 -1.247 -2.630 -16.625 294 2HB CYS 45 1HB CYS 45 -2.614 -3.381 -15.822 295 H ARG 46 H ARG 46 -3.551 -2.636 -20.066 296 HA ARG 46 HA ARG 46 -2.082 -0.368 -21.069 297 1HB ARG 46 2HB ARG 46 -0.294 -2.099 -20.236 298 2HB ARG 46 1HB ARG 46 -0.712 -2.962 -21.717 299 1HG ARG 46 2HG ARG 46 -0.066 -1.124 -23.092 300 2HG ARG 46 1HG ARG 46 0.007 -0.026 -21.712 301 1HD ARG 46 2HD ARG 46 2.023 -0.894 -20.949 302 2HD ARG 46 1HD ARG 46 1.752 -2.464 -21.708 303 HE ARG 46 HE ARG 46 3.119 -0.254 -22.924 304 1HH1 ARG 46 1HH1 ARG 46 3.229 -3.193 -23.727 305 2HH1 ARG 46 2HH1 ARG 46 2.554 -3.130 -25.320 306 1HH2 ARG 46 1HH2 ARG 46 1.199 0.036 -24.906 307 2HH2 ARG 46 2HH2 ARG 46 1.404 -1.302 -25.989 308 H ILE 47 H ILE 47 -2.242 -0.197 -23.370 309 HA ILE 47 HA ILE 47 -4.297 -2.011 -24.524 310 HB ILE 47 HB ILE 47 -4.925 0.286 -24.724 311 1HG1 ILE 47 2HG1 ILE 47 -4.871 0.649 -27.182 312 2HG1 ILE 47 1HG1 ILE 47 -3.651 -0.616 -27.327 313 1HG2 ILE 47 1HG2 ILE 47 -3.342 1.923 -25.850 314 2HG2 ILE 47 2HG2 ILE 47 -2.083 0.700 -25.681 315 3HG2 ILE 47 3HG2 ILE 47 -2.844 1.385 -24.246 316 1HD1 ILE 47 1HD1 ILE 47 -5.211 -2.266 -26.405 317 2HD1 ILE 47 2HD1 ILE 47 -5.937 -1.472 -27.803 318 3HD1 ILE 47 3HD1 ILE 47 -6.428 -1.011 -26.172 319 H ALA 48 H ALA 48 -3.356 -3.716 -25.528 320 HA ALA 48 HA ALA 48 -0.719 -3.912 -26.461 321 1HB ALA 48 1HB ALA 48 -1.611 -5.801 -27.884 322 2HB ALA 48 2HB ALA 48 -3.236 -5.322 -27.385 323 3HB ALA 48 3HB ALA 48 -2.077 -5.888 -26.188 324 H LYS 49 H LYS 49 -0.387 -4.458 -29.012 325 HA LYS 49 HA LYS 49 -0.529 -1.926 -30.378 326 1HB LYS 49 2HB LYS 49 0.166 -4.642 -31.415 327 2HB LYS 49 1HB LYS 49 0.499 -3.131 -32.248 328 1HG LYS 49 2HG LYS 49 1.502 -3.662 -29.448 329 2HG LYS 49 1HG LYS 49 2.424 -4.153 -30.869 330 1HD LYS 49 2HD LYS 49 1.392 -1.341 -30.707 331 2HD LYS 49 1HD LYS 49 2.833 -1.780 -29.789 332 1HE LYS 49 2HE LYS 49 3.201 -2.917 -32.337 333 2HE LYS 49 1HE LYS 49 2.566 -1.297 -32.633 334 1HZ LYS 49 1HZ LYS 49 4.886 -1.964 -30.902 335 2HZ LYS 49 2HZ LYS 49 4.267 -0.404 -31.166 336 3HZ LYS 49 3HZ LYS 49 4.969 -1.270 -32.448 337 H GLY 50 H GLY 50 -1.515 -4.857 -32.030 338 1HA GLY 50 2HA GLY 50 -4.262 -3.949 -32.267 339 2HA GLY 50 1HA GLY 50 -3.345 -3.884 -33.770 340 H ASP 51 H ASP 51 -5.334 -5.822 -31.912 341 HA ASP 51 HA ASP 51 -6.116 -7.999 -32.408 342 1HB ASP 51 2HB ASP 51 -4.563 -7.421 -34.647 343 2HB ASP 51 1HB ASP 51 -3.921 -8.938 -34.019 344 H TRP 52 H TRP 52 -5.761 -8.875 -30.406 345 HA TRP 52 HA TRP 52 -4.048 -11.001 -29.983 346 1HB TRP 52 2HB TRP 52 -2.411 -9.674 -28.315 347 2HB TRP 52 1HB TRP 52 -2.014 -9.950 -30.000 348 HD1 TRP 52 HD1 TRP 52 -0.640 -7.825 -30.370 349 HE1 TRP 52 HE1 TRP 52 -1.195 -5.329 -30.442 350 HE3 TRP 52 HE3 TRP 52 -5.377 -7.856 -28.441 351 HZ2 TRP 52 HZ2 TRP 52 -3.356 -3.573 -29.772 352 HZ3 TRP 52 HZ3 TRP 52 -6.647 -5.763 -28.194 353 HH2 TRP 52 HH2 TRP 52 -5.618 -3.615 -28.874 354 H ASN 53 H ASN 53 -3.340 -10.702 -27.237 355 HA ASN 53 HA ASN 53 -6.063 -10.484 -26.057 356 1HB ASN 53 2HB ASN 53 -3.756 -12.210 -25.610 357 2HB ASN 53 1HB ASN 53 -4.310 -11.468 -24.108 358 1HD2 ASN 53 1HD2 ASN 53 -5.425 -13.445 -26.877 359 2HD2 ASN 53 2HD2 ASN 53 -6.760 -14.111 -26.068 360 H ASP 54 H ASP 54 -6.475 -8.564 -25.061 361 HA ASP 54 HA ASP 54 -4.537 -6.550 -24.578 362 1HB ASP 54 2HB ASP 54 -7.358 -6.991 -23.934 363 2HB ASP 54 1HB ASP 54 -6.518 -5.955 -22.784 364 H ASP 55 H ASP 55 -3.627 -5.788 -22.586 365 HA ASP 55 HA ASP 55 -2.854 -7.945 -20.776 366 1HB ASP 55 2HB ASP 55 -1.568 -5.737 -21.615 367 2HB ASP 55 1HB ASP 55 -2.237 -5.137 -20.104 368 H ARG 56 H ARG 56 -4.166 -8.545 -19.127 369 HA ARG 56 HA ARG 56 -5.997 -6.516 -17.936 370 1HB ARG 56 2HB ARG 56 -6.596 -8.955 -18.966 371 2HB ARG 56 1HB ARG 56 -6.308 -9.381 -17.278 372 1HG ARG 56 2HG ARG 56 -8.213 -8.404 -16.610 373 2HG ARG 56 1HG ARG 56 -7.868 -6.936 -17.525 374 1HD ARG 56 2HD ARG 56 -9.910 -7.978 -18.390 375 2HD ARG 56 1HD ARG 56 -8.632 -8.076 -19.601 376 HE ARG 56 HE ARG 56 -8.315 -10.463 -18.877 377 1HH1 ARG 56 1HH1 ARG 56 -9.901 -10.477 -16.385 378 2HH1 ARG 56 2HH1 ARG 56 -11.418 -11.139 -16.896 379 1HH2 ARG 56 1HH2 ARG 56 -10.831 -10.571 -20.266 380 2HH2 ARG 56 2HH2 ARG 56 -11.945 -11.192 -19.094 381 H CYS 57 H CYS 57 -6.303 -6.650 -15.599 382 HA CYS 57 HA CYS 57 -3.822 -7.532 -14.187 383 1HB CYS 57 2HB CYS 57 -5.751 -5.270 -13.717 384 2HB CYS 57 1HB CYS 57 -4.819 -5.922 -12.376 385 H THR 58 H THR 58 -4.279 -8.373 -11.951 386 HA THR 58 HA THR 58 -6.669 -10.100 -12.015 387 HB THR 58 HB THR 58 -5.588 -11.426 -10.424 388 HG1 THR 58 HG1 THR 58 -4.499 -8.978 -9.621 389 1HG2 THR 58 1HG2 THR 58 -3.120 -10.082 -11.490 390 2HG2 THR 58 2HG2 THR 58 -4.207 -10.927 -12.593 391 3HG2 THR 58 3HG2 THR 58 -3.441 -11.803 -11.268 392 H GLY 59 H GLY 59 -7.273 -10.367 -9.328 393 1HA GLY 59 2HA GLY 59 -8.484 -7.709 -8.778 394 2HA GLY 59 1HA GLY 59 -9.030 -9.241 -8.098 395 H GLN 60 H GLN 60 -5.624 -8.777 -8.099 396 HA GLN 60 HA GLN 60 -5.568 -7.518 -5.441 397 1HB GLN 60 2HB GLN 60 -4.537 -9.382 -4.304 398 2HB GLN 60 1HB GLN 60 -6.033 -9.962 -5.037 399 1HG GLN 60 2HG GLN 60 -4.915 -11.436 -6.319 400 2HG GLN 60 1HG GLN 60 -3.827 -10.177 -6.905 401 1HE2 GLN 60 1HE2 GLN 60 -4.345 -11.699 -3.664 402 2HE2 GLN 60 2HE2 GLN 60 -2.705 -12.050 -3.409 403 H SER 61 H SER 61 -4.330 -7.515 -8.373 404 HA SER 61 HA SER 61 -1.509 -7.198 -7.431 405 1HB SER 61 2HB SER 61 -2.133 -7.513 -10.313 406 2HB SER 61 1HB SER 61 -0.714 -8.032 -9.419 407 HG SER 61 HG SER 61 -2.012 -9.810 -9.959 408 H ALA 62 H ALA 62 -0.405 -5.304 -8.048 409 HA ALA 62 HA ALA 62 -2.186 -3.130 -9.038 410 1HB ALA 62 1HB ALA 62 -1.273 -2.338 -7.059 411 2HB ALA 62 2HB ALA 62 -0.067 -1.759 -8.209 412 3HB ALA 62 3HB ALA 62 0.235 -3.227 -7.278 413 H ASP 63 H ASP 63 1.276 -4.036 -9.333 414 HA ASP 63 HA ASP 63 1.746 -2.523 -11.688 415 1HB ASP 63 2HB ASP 63 3.129 -5.102 -11.042 416 2HB ASP 63 1HB ASP 63 3.786 -3.711 -11.891 417 H CYS 64 H CYS 64 2.571 -3.900 -13.762 418 HA CYS 64 HA CYS 64 0.567 -5.993 -14.422 419 1HB CYS 64 2HB CYS 64 -0.543 -4.036 -15.240 420 2HB CYS 64 1HB CYS 64 0.954 -3.381 -15.901 421 HA PRO 65 HA PRO 65 4.127 -7.721 -16.273 422 1HB PRO 65 2HB PRO 65 2.806 -9.794 -17.474 423 2HB PRO 65 1HB PRO 65 3.209 -9.769 -15.758 424 1HG PRO 65 2HG PRO 65 0.578 -9.401 -17.098 425 2HG PRO 65 1HG PRO 65 0.932 -9.950 -15.449 426 1HD PRO 65 2HD PRO 65 0.064 -7.365 -16.194 427 2HD PRO 65 1HD PRO 65 0.715 -7.840 -14.611 428 H ARG 66 H ARG 66 4.859 -6.425 -17.969 429 HA ARG 66 HA ARG 66 3.285 -5.757 -20.273 430 1HB ARG 66 2HB ARG 66 5.453 -4.954 -21.212 431 2HB ARG 66 1HB ARG 66 5.155 -4.348 -19.583 432 1HG ARG 66 2HG ARG 66 7.131 -5.222 -18.958 433 2HG ARG 66 1HG ARG 66 6.459 -6.827 -19.249 434 1HD ARG 66 2HD ARG 66 8.348 -6.802 -20.643 435 2HD ARG 66 1HD ARG 66 7.045 -6.359 -21.746 436 HE ARG 66 HE ARG 66 8.123 -4.290 -22.017 437 1HH1 ARG 66 1HH2 ARG 66 10.706 -5.284 -21.000 438 2HH1 ARG 66 2HH2 ARG 66 11.030 -4.231 -19.664 439 1HH2 ARG 66 1HH1 ARG 66 7.758 -3.114 -19.410 440 2HH2 ARG 66 2HH1 ARG 66 9.361 -3.003 -18.763 441 H TYR 67 H TYR 67 4.471 -6.292 -22.546 442 HA TYR 67 HA TYR 67 5.691 -8.844 -22.878 443 1HB TYR 67 2HB TYR 67 3.762 -10.110 -23.786 444 2HB TYR 67 1HB TYR 67 3.527 -9.709 -22.085 445 HD1 TYR 67 HD1 TYR 67 2.175 -9.444 -25.397 446 HD2 TYR 67 HD2 TYR 67 2.208 -7.560 -21.538 447 HE1 TYR 67 HE1 TYR 67 0.078 -8.245 -25.962 448 HE2 TYR 67 HE2 TYR 67 0.115 -6.362 -22.103 449 HH TYR 67 HH TYR 67 -1.003 -5.625 -24.456 450 H HIS 68 HN HIS 68 3.314 -6.624 -24.370 451 HA HIS 68 HA HIS 68 4.767 -6.956 -26.953 452 1HB HIS 68 2HB HIS 68 1.977 -6.522 -26.234 453 2HB HIS 68 1HB HIS 68 2.539 -5.309 -27.382 454 HD1 HIS 68 HD1 HIS 68 1.205 -6.386 -29.342 455 HD2 HIS 68 HD2 HIS 68 4.028 -8.928 -27.626 456 HE1 HIS 68 HE1 HIS 68 1.453 -8.349 -30.922 Start of MODEL 16 1 1H GLY 1 1HT GLY 1 12.819 -8.800 -0.548 2 2H GLY 1 2HT GLY 1 12.138 -10.166 -1.294 3 3H GLY 1 3HT GLY 1 11.153 -8.850 -0.867 4 1HA GLY 1 1HA GLY 1 13.360 -8.199 -2.626 5 2HA GLY 1 2HA GLY 1 12.126 -9.249 -3.323 6 H LYS 2 H LYS 2 12.875 -6.199 -3.471 7 HA LYS 2 HA LYS 2 11.669 -4.217 -3.840 8 1HB LYS 2 2HB LYS 2 9.448 -6.266 -4.072 9 2HB LYS 2 1HB LYS 2 9.218 -4.549 -4.401 10 1HG LYS 2 2HG LYS 2 9.680 -5.704 -6.497 11 2HG LYS 2 1HG LYS 2 11.053 -4.672 -6.094 12 1HD LYS 2 2HD LYS 2 12.405 -6.477 -5.487 13 2HD LYS 2 1HD LYS 2 11.026 -7.531 -5.169 14 1HE LYS 2 2HE LYS 2 11.691 -8.384 -7.211 15 2HE LYS 2 1HE LYS 2 10.580 -7.131 -7.765 16 1HZ LYS 2 1HZ LYS 2 12.679 -5.655 -7.683 17 2HZ LYS 2 2HZ LYS 2 12.459 -6.709 -8.997 18 3HZ LYS 2 3HZ LYS 2 13.523 -7.125 -7.740 19 H GLU 3 H GLU 3 12.180 -3.709 -1.532 20 HA GLU 3 HA GLU 3 9.836 -4.020 0.278 21 1HB GLU 3 2HB GLU 3 12.643 -4.205 0.693 22 2HB GLU 3 1HB GLU 3 12.060 -2.804 1.590 23 1HG GLU 3 2HG GLU 3 10.218 -4.282 2.507 24 2HG GLU 3 1HG GLU 3 11.061 -5.654 1.787 25 H CYS 4 H CYS 4 9.652 -2.137 -1.823 26 HA CYS 4 HA CYS 4 9.349 0.323 -0.226 27 1HB CYS 4 2HB CYS 4 11.572 0.400 -1.430 28 2HB CYS 4 1HB CYS 4 10.641 0.428 -2.909 29 H ASP 5 H ASP 5 7.178 -0.828 -0.566 30 HA ASP 5 HA ASP 5 5.703 -1.165 -2.810 31 1HB ASP 5 2HB ASP 5 5.049 -0.809 -0.192 32 2HB ASP 5 1HB ASP 5 4.341 0.642 -0.905 33 H CYS 6 H CYS 6 6.824 1.970 -1.623 34 HA CYS 6 HA CYS 6 6.164 3.103 -4.265 35 1HB CYS 6 2HB CYS 6 4.337 4.218 -3.586 36 2HB CYS 6 1HB CYS 6 4.502 3.520 -1.985 37 H SER 7 H SER 7 7.739 4.511 -4.911 38 HA SER 7 HA SER 7 9.945 5.030 -3.014 39 1HB SER 7 2HB SER 7 10.774 6.174 -5.319 40 2HB SER 7 1HB SER 7 10.956 4.453 -4.988 41 HG SER 7 HG SER 7 9.008 5.791 -6.531 42 H SER 8 H SER 8 7.107 6.547 -3.776 43 HA SER 8 HA SER 8 8.163 9.289 -3.872 44 1HB SER 8 2HB SER 8 5.713 8.010 -4.560 45 2HB SER 8 1HB SER 8 5.363 9.246 -3.357 46 HG SER 8 HG SER 8 5.495 9.842 -5.712 47 HA PRO 9 HA PRO 9 8.099 9.269 0.623 48 1HB PRO 9 2HB PRO 9 9.442 11.657 0.871 49 2HB PRO 9 1HB PRO 9 10.246 10.104 0.592 50 1HG PRO 9 2HG PRO 9 9.765 12.342 -1.323 51 2HG PRO 9 1HG PRO 9 11.052 11.124 -1.320 52 1HD PRO 9 2HD PRO 9 8.766 11.087 -2.976 53 2HD PRO 9 1HD PRO 9 9.857 9.716 -2.684 54 H GLU 10 H GLU 10 6.764 11.518 -1.625 55 HA GLU 10 HA GLU 10 5.423 13.106 0.488 56 1HB GLU 10 2HB GLU 10 5.072 13.313 -2.516 57 2HB GLU 10 1HB GLU 10 4.655 14.524 -1.304 58 1HG GLU 10 2HG GLU 10 7.354 13.989 -0.830 59 2HG GLU 10 1HG GLU 10 7.220 14.008 -2.589 60 H ASN 11 H ASN 11 4.847 10.473 -1.685 61 HA ASN 11 HA ASN 11 2.006 10.546 -1.817 62 1HB ASN 11 2HB ASN 11 3.436 9.124 -3.252 63 2HB ASN 11 1HB ASN 11 3.863 8.153 -1.846 64 1HD2 ASN 11 1HD2 ASN 11 2.852 6.253 -2.879 65 2HD2 ASN 11 2HD2 ASN 11 1.164 6.099 -2.928 66 HA PRO 12 HA PRO 12 1.320 9.577 2.494 67 1HB PRO 12 2HB PRO 12 -1.424 9.708 2.345 68 2HB PRO 12 1HB PRO 12 -0.373 11.130 2.470 69 1HG PRO 12 2HG PRO 12 -1.835 10.075 0.090 70 2HG PRO 12 1HG PRO 12 -1.348 11.737 0.463 71 1HD PRO 12 2HD PRO 12 -0.034 10.016 -1.338 72 2HD PRO 12 1HD PRO 12 0.637 11.514 -0.663 73 H CYS 13 H CYS 13 0.491 7.688 -0.230 74 HA CYS 13 HA CYS 13 -0.792 5.565 1.399 75 1HB CYS 13 2HB CYS 13 -1.097 6.372 -1.258 76 2HB CYS 13 1HB CYS 13 -0.238 4.835 -1.340 77 H CYS 14 H CYS 14 2.004 6.238 1.904 78 HA CYS 14 HA CYS 14 3.045 3.581 1.962 79 1HB CYS 14 2HB CYS 14 5.000 4.018 0.373 80 2HB CYS 14 1HB CYS 14 3.434 3.718 -0.380 81 H ASP 15 H ASP 15 4.370 3.557 3.671 82 HA ASP 15 HA ASP 15 5.174 5.840 5.111 83 1HB ASP 15 2HB ASP 15 5.163 3.370 5.831 84 2HB ASP 15 1HB ASP 15 6.751 3.297 5.079 85 H ALA 16 H ALA 16 6.870 7.245 4.878 86 HA ALA 16 HA ALA 16 8.645 6.833 2.559 87 1HB ALA 16 1HB ALA 16 7.676 8.971 2.445 88 2HB ALA 16 2HB ALA 16 9.263 9.290 3.145 89 3HB ALA 16 3HB ALA 16 7.837 9.231 4.182 90 H ALA 17 H ALA 17 8.825 5.800 5.560 91 HA ALA 17 HA ALA 17 11.702 6.572 5.881 92 1HB ALA 17 1HB ALA 17 9.549 6.060 7.936 93 2HB ALA 17 2HB ALA 17 10.607 7.463 7.784 94 3HB ALA 17 3HB ALA 17 11.260 5.924 8.346 95 H THR 18 H THR 18 9.496 4.095 5.262 96 HA THR 18 HA THR 18 11.595 2.056 5.798 97 HB THR 18 HB THR 18 8.705 2.067 6.527 98 HG1 THR 18 HG1 THR 18 9.745 2.191 8.333 99 1HG2 THR 18 1HG2 THR 18 8.869 0.102 5.116 100 2HG2 THR 18 2HG2 THR 18 8.820 -0.414 6.802 101 3HG2 THR 18 3HG2 THR 18 10.353 -0.396 5.930 102 H CYS 19 H CYS 19 9.921 3.657 3.487 103 HA CYS 19 HA CYS 19 9.392 3.193 1.246 104 1HB CYS 19 2HB CYS 19 11.766 1.714 1.909 105 2HB CYS 19 1HB CYS 19 10.814 0.831 0.732 106 H LYS 20 H LYS 20 7.194 2.617 1.766 107 HA LYS 20 HA LYS 20 6.391 0.075 0.787 108 1HB LYS 20 2HB LYS 20 6.875 0.215 3.714 109 2HB LYS 20 1HB LYS 20 5.370 -0.550 3.196 110 1HG LYS 20 2HG LYS 20 7.448 -1.483 1.481 111 2HG LYS 20 1HG LYS 20 8.008 -1.652 3.146 112 1HD LYS 20 2HD LYS 20 6.097 -2.962 3.750 113 2HD LYS 20 1HD LYS 20 5.275 -2.580 2.237 114 1HE LYS 20 2HE LYS 20 6.970 -3.819 0.972 115 2HE LYS 20 1HE LYS 20 7.861 -4.150 2.458 116 1HZ LYS 20 1HZ LYS 20 5.266 -4.947 2.935 117 2HZ LYS 20 2HZ LYS 20 6.615 -5.949 2.686 118 3HZ LYS 20 3HZ LYS 20 5.623 -5.513 1.378 119 H LEU 21 H LEU 21 3.982 -0.308 1.279 120 HA LEU 21 HA LEU 21 2.572 2.201 0.854 121 1HB LEU 21 2HB LEU 21 1.900 -0.675 0.924 122 2HB LEU 21 1HB LEU 21 0.614 0.404 1.459 123 HG LEU 21 HG LEU 21 2.082 1.057 -1.078 124 1HD1 LEU 21 1HD1 LEU 21 0.898 -0.470 -2.364 125 2HD1 LEU 21 2HD1 LEU 21 -0.371 -0.654 -1.154 126 3HD1 LEU 21 3HD1 LEU 21 1.194 -1.431 -0.915 127 1HD2 LEU 21 1HD2 LEU 21 0.384 2.533 -1.298 128 2HD2 LEU 21 2HD2 LEU 21 -0.034 2.149 0.372 129 3HD2 LEU 21 3HD2 LEU 21 -0.823 1.293 -0.954 130 H ARG 22 H ARG 22 0.482 2.495 2.188 131 HA ARG 22 HA ARG 22 1.255 2.476 5.047 132 1HB ARG 22 2HB ARG 22 -0.535 4.051 5.388 133 2HB ARG 22 1HB ARG 22 0.298 4.565 3.920 134 1HG ARG 22 2HG ARG 22 -1.784 4.558 3.002 135 2HG ARG 22 1HG ARG 22 -1.547 2.812 2.905 136 1HD ARG 22 2HD ARG 22 -2.809 2.408 4.848 137 2HD ARG 22 1HD ARG 22 -2.644 4.069 5.413 138 HE ARG 22 HE ARG 22 -4.209 3.539 2.937 139 1HH1 ARG 22 1HH2 ARG 22 -3.802 6.035 4.900 140 2HH1 ARG 22 2HH2 ARG 22 -5.419 6.143 5.513 141 1HH2 ARG 22 1HH1 ARG 22 -6.372 3.041 4.290 142 2HH2 ARG 22 2HH1 ARG 22 -6.873 4.447 5.170 143 HA PRO 23 HA PRO 23 -1.137 -1.194 5.582 144 1HB PRO 23 2HB PRO 23 -1.533 -0.940 8.311 145 2HB PRO 23 1HB PRO 23 -0.041 -1.548 7.570 146 1HG PRO 23 2HG PRO 23 -0.613 1.186 8.689 147 2HG PRO 23 1HG PRO 23 0.898 0.255 8.717 148 1HD PRO 23 2HD PRO 23 0.457 2.319 6.929 149 2HD PRO 23 1HD PRO 23 1.525 0.947 6.590 150 H GLY 24 H GLY 24 -2.895 -0.256 4.345 151 1HA GLY 24 2HA GLY 24 -5.405 -0.247 5.655 152 2HA GLY 24 1HA GLY 24 -4.934 1.434 5.376 153 H ALA 25 H ALA 25 -3.709 1.444 3.016 154 HA ALA 25 HA ALA 25 -5.832 0.892 1.107 155 1HB ALA 25 1HB ALA 25 -3.033 1.982 0.724 156 2HB ALA 25 2HB ALA 25 -4.480 2.953 0.988 157 3HB ALA 25 3HB ALA 25 -4.314 2.002 -0.488 158 H GLN 26 H GLN 26 -4.276 0.260 -1.169 159 HA GLN 26 HA GLN 26 -2.896 -2.277 -0.512 160 1HB GLN 26 2HB GLN 26 -5.578 -2.137 -1.510 161 2HB GLN 26 1HB GLN 26 -4.541 -2.852 -2.745 162 1HG GLN 26 2HG GLN 26 -3.930 -4.641 -1.384 163 2HG GLN 26 1HG GLN 26 -4.263 -3.753 0.099 164 1HE2 GLN 26 1HE2 GLN 26 -5.389 -6.263 -0.042 165 2HE2 GLN 26 2HE2 GLN 26 -7.058 -6.162 -0.330 166 H CYS 27 H CYS 27 -2.506 0.516 -1.874 167 HA CYS 27 HA CYS 27 -0.462 -0.274 -3.673 168 1HB CYS 27 2HB CYS 27 -1.416 0.063 -5.833 169 2HB CYS 27 1HB CYS 27 -2.524 -1.012 -4.981 170 H GLY 28 H GLY 28 0.873 1.465 -3.748 171 1HA GLY 28 2HA GLY 28 -0.302 4.122 -3.117 172 2HA GLY 28 1HA GLY 28 1.388 3.686 -2.882 173 H GLU 29 H GLU 29 0.902 2.339 -5.737 174 HA GLU 29 HA GLU 29 0.539 4.465 -7.586 175 1HB GLU 29 2HB GLU 29 2.949 4.838 -8.207 176 2HB GLU 29 1HB GLU 29 2.507 5.494 -6.635 177 1HG GLU 29 2HG GLU 29 3.659 3.837 -5.466 178 2HG GLU 29 1HG GLU 29 3.595 2.699 -6.813 179 H GLY 30 H GLY 30 0.151 3.440 -9.488 180 1HA GLY 30 2HA GLY 30 1.831 1.465 -10.654 181 2HA GLY 30 1HA GLY 30 0.504 0.643 -9.837 182 H LEU 31 H LEU 31 0.437 0.211 -12.449 183 HA LEU 31 HA LEU 31 -0.841 2.266 -14.022 184 1HB LEU 31 2HB LEU 31 0.026 -0.454 -14.404 185 2HB LEU 31 1HB LEU 31 -1.568 -0.215 -15.106 186 HG LEU 31 HG LEU 31 0.710 1.711 -15.583 187 1HD1 LEU 31 1HD1 LEU 31 -0.141 -0.515 -17.445 188 2HD1 LEU 31 2HD1 LEU 31 1.205 -0.690 -16.319 189 3HD1 LEU 31 3HD1 LEU 31 1.268 0.535 -17.584 190 1HD2 LEU 31 1HD2 LEU 31 -1.267 1.352 -17.679 191 2HD2 LEU 31 2HD2 LEU 31 -0.821 2.823 -16.814 192 3HD2 LEU 31 3HD2 LEU 31 -2.047 1.745 -16.147 193 H CYS 32 H CYS 32 -2.011 -0.439 -12.083 194 HA CYS 32 HA CYS 32 -4.787 0.567 -12.531 195 1HB CYS 32 2HB CYS 32 -5.297 -1.883 -11.634 196 2HB CYS 32 1HB CYS 32 -4.959 -1.589 -13.336 197 H CYS 33 H CYS 33 -3.045 1.684 -10.558 198 HA CYS 33 HA CYS 33 -3.968 0.496 -7.999 199 1HB CYS 33 2HB CYS 33 -1.664 1.152 -7.948 200 2HB CYS 33 1HB CYS 33 -2.023 2.718 -8.670 201 H GLU 34 H GLU 34 -6.205 1.022 -8.122 202 HA GLU 34 HA GLU 34 -7.278 3.558 -8.789 203 1HB GLU 34 2HB GLU 34 -8.393 1.207 -8.255 204 2HB GLU 34 1HB GLU 34 -8.579 1.939 -6.667 205 1HG GLU 34 2HG GLU 34 -10.257 3.259 -7.386 206 2HG GLU 34 1HG GLU 34 -9.291 3.822 -8.751 207 H GLN 35 H GLN 35 -8.792 4.384 -6.571 208 HA GLN 35 HA GLN 35 -6.999 6.130 -5.253 209 1HB GLN 35 2HB GLN 35 -8.925 6.301 -3.536 210 2HB GLN 35 1HB GLN 35 -9.291 6.738 -5.205 211 1HG GLN 35 2HG GLN 35 -9.654 3.911 -4.911 212 2HG GLN 35 1HG GLN 35 -10.534 4.725 -3.618 213 1HE2 GLN 35 1HE2 GLN 35 -12.671 4.902 -4.321 214 2HE2 GLN 35 2HE2 GLN 35 -13.143 5.461 -5.853 215 H CYS 36 H CYS 36 -5.240 4.892 -4.462 216 HA CYS 36 HA CYS 36 -4.107 3.443 -2.994 217 1HB CYS 36 2HB CYS 36 -6.134 4.922 -1.335 218 2HB CYS 36 1HB CYS 36 -5.109 3.705 -0.591 219 H LYS 37 H LYS 37 -5.949 2.020 -4.545 220 HA LYS 37 HA LYS 37 -6.597 -0.169 -2.672 221 1HB LYS 37 2HB LYS 37 -8.616 1.469 -2.978 222 2HB LYS 37 1HB LYS 37 -8.761 0.712 -4.565 223 1HG LYS 37 2HG LYS 37 -9.097 -1.451 -3.617 224 2HG LYS 37 1HG LYS 37 -8.583 -0.907 -2.019 225 1HD LYS 37 2HD LYS 37 -10.829 0.637 -3.127 226 2HD LYS 37 1HD LYS 37 -11.202 -1.065 -2.850 227 1HE LYS 37 2HE LYS 37 -11.031 -0.871 -0.583 228 2HE LYS 37 1HE LYS 37 -9.691 0.271 -0.682 229 1HZ LYS 37 1HZ LYS 37 -12.089 1.384 -1.735 230 2HZ LYS 37 2HZ LYS 37 -11.079 1.972 -0.501 231 3HZ LYS 37 3HZ LYS 37 -12.314 0.864 -0.136 232 H PHE 38 H PHE 38 -6.699 -2.203 -3.728 233 HA PHE 38 HA PHE 38 -5.264 -2.381 -6.235 234 1HB PHE 38 2HB PHE 38 -6.551 -4.304 -4.342 235 2HB PHE 38 1HB PHE 38 -6.237 -4.860 -5.985 236 HD1 PHE 38 HD1 PHE 38 -4.920 -5.312 -2.995 237 HD2 PHE 38 HD2 PHE 38 -3.751 -3.454 -6.686 238 HE1 PHE 38 HE1 PHE 38 -2.538 -5.671 -2.418 239 HE2 PHE 38 HE2 PHE 38 -1.364 -3.816 -6.107 240 HZ PHE 38 HZ PHE 38 -0.759 -4.923 -3.974 241 H SER 39 H SER 39 -6.154 -2.159 -8.249 242 HA SER 39 HA SER 39 -8.973 -1.810 -8.659 243 1HB SER 39 2HB SER 39 -8.463 -1.626 -10.955 244 2HB SER 39 1HB SER 39 -6.973 -1.100 -10.178 245 HG SER 39 HG SER 39 -6.491 -3.511 -10.320 246 H ARG 40 H ARG 40 -10.394 -3.315 -9.882 247 HA ARG 40 HA ARG 40 -10.139 -6.012 -8.879 248 1HB ARG 40 2HB ARG 40 -12.222 -4.416 -9.891 249 2HB ARG 40 1HB ARG 40 -12.078 -5.783 -10.992 250 1HG ARG 40 2HG ARG 40 -12.170 -7.340 -9.077 251 2HG ARG 40 1HG ARG 40 -12.343 -5.969 -7.981 252 1HD ARG 40 2HD ARG 40 -14.351 -5.379 -9.645 253 2HD ARG 40 1HD ARG 40 -14.315 -7.125 -9.900 254 HE ARG 40 HE ARG 40 -14.401 -7.149 -7.257 255 1HH1 ARG 40 1HH2 ARG 40 -15.052 -4.075 -7.904 256 2HH1 ARG 40 2HH2 ARG 40 -16.739 -4.089 -7.511 257 1HH2 ARG 40 1HH1 ARG 40 -16.952 -7.548 -7.388 258 2HH2 ARG 40 2HH1 ARG 40 -17.815 -6.056 -7.218 259 H ALA 41 H ALA 41 -9.582 -7.873 -10.028 260 HA ALA 41 HA ALA 41 -7.688 -7.769 -12.071 261 1HB ALA 41 1HB ALA 41 -7.870 -10.070 -12.169 262 2HB ALA 41 2HB ALA 41 -9.633 -10.033 -12.166 263 3HB ALA 41 3HB ALA 41 -8.744 -9.794 -10.661 264 H GLY 42 H GLY 42 -8.162 -8.814 -14.370 265 1HA GLY 42 2HA GLY 42 -9.182 -8.548 -16.462 266 2HA GLY 42 1HA GLY 42 -10.695 -8.291 -15.595 267 H LYS 43 H LYS 43 -8.124 -6.234 -14.633 268 HA LYS 43 HA LYS 43 -9.529 -3.925 -15.777 269 1HB LYS 43 2HB LYS 43 -8.758 -3.456 -13.604 270 2HB LYS 43 1HB LYS 43 -7.235 -4.298 -13.866 271 1HG LYS 43 2HG LYS 43 -6.699 -1.967 -13.888 272 2HG LYS 43 1HG LYS 43 -6.672 -2.469 -15.568 273 1HD LYS 43 2HD LYS 43 -8.166 -0.842 -16.002 274 2HD LYS 43 1HD LYS 43 -9.344 -1.762 -15.065 275 1HE LYS 43 2HE LYS 43 -7.778 -0.506 -13.130 276 2HE LYS 43 1HE LYS 43 -7.974 0.720 -14.382 277 1HZ LYS 43 1HZ LYS 43 -10.406 0.127 -14.338 278 2HZ LYS 43 2HZ LYS 43 -9.815 0.937 -12.966 279 3HZ LYS 43 3HZ LYS 43 -10.092 -0.739 -12.914 280 H ILE 44 H ILE 44 -8.865 -2.907 -17.680 281 HA ILE 44 HA ILE 44 -6.698 -4.167 -19.154 282 HB ILE 44 HB ILE 44 -8.823 -2.226 -19.721 283 1HG1 ILE 44 2HG1 ILE 44 -8.871 -4.548 -20.490 284 2HG1 ILE 44 1HG1 ILE 44 -8.777 -3.463 -21.880 285 1HG2 ILE 44 1HG2 ILE 44 -7.495 -1.565 -21.877 286 2HG2 ILE 44 2HG2 ILE 44 -6.072 -1.925 -20.900 287 3HG2 ILE 44 3HG2 ILE 44 -7.198 -0.667 -20.388 288 1HD1 ILE 44 1HD1 ILE 44 -7.048 -4.838 -22.481 289 2HD1 ILE 44 2HD1 ILE 44 -6.753 -5.359 -20.822 290 3HD1 ILE 44 3HD1 ILE 44 -6.137 -3.805 -21.379 291 H CYS 45 H CYS 45 -4.691 -3.782 -18.376 292 HA CYS 45 HA CYS 45 -3.942 -1.040 -17.519 293 1HB CYS 45 2HB CYS 45 -1.831 -2.159 -16.787 294 2HB CYS 45 1HB CYS 45 -3.269 -2.824 -16.015 295 H ARG 46 H ARG 46 -3.571 -3.280 -20.129 296 HA ARG 46 HA ARG 46 -2.173 -1.261 -21.717 297 1HB ARG 46 2HB ARG 46 -0.588 -3.043 -20.233 298 2HB ARG 46 1HB ARG 46 -0.580 -3.679 -21.879 299 1HG ARG 46 2HG ARG 46 0.958 -2.111 -22.381 300 2HG ARG 46 1HG ARG 46 -0.316 -0.907 -22.186 301 1HD ARG 46 2HD ARG 46 0.419 -1.458 -19.572 302 2HD ARG 46 1HD ARG 46 1.957 -1.511 -20.436 303 HE ARG 46 HE ARG 46 0.119 0.848 -20.419 304 1HH1 ARG 46 1HH1 ARG 46 1.980 0.798 -22.735 305 2HH1 ARG 46 2HH1 ARG 46 3.364 1.642 -22.124 306 1HH2 ARG 46 1HH2 ARG 46 2.437 1.316 -18.803 307 2HH2 ARG 46 2HH2 ARG 46 3.620 1.935 -19.904 308 H ILE 47 H ILE 47 -1.167 -3.015 -23.696 309 HA ILE 47 HA ILE 47 -3.483 -4.696 -24.483 310 HB ILE 47 HB ILE 47 -3.945 -2.460 -25.414 311 1HG1 ILE 47 2HG1 ILE 47 -2.950 -4.289 -27.615 312 2HG1 ILE 47 1HG1 ILE 47 -4.428 -4.602 -26.704 313 1HG2 ILE 47 1HG2 ILE 47 -1.999 -2.174 -27.407 314 2HG2 ILE 47 2HG2 ILE 47 -1.088 -2.593 -25.956 315 3HG2 ILE 47 3HG2 ILE 47 -2.157 -1.191 -25.953 316 1HD1 ILE 47 1HD1 ILE 47 -4.328 -1.848 -27.616 317 2HD1 ILE 47 2HD1 ILE 47 -5.574 -3.068 -27.889 318 3HD1 ILE 47 3HD1 ILE 47 -4.182 -2.970 -28.968 319 H ALA 48 H ALA 48 -2.934 -6.052 -26.409 320 HA ALA 48 HA ALA 48 -0.255 -7.114 -26.169 321 1HB ALA 48 1HB ALA 48 -0.970 -8.825 -27.634 322 2HB ALA 48 2HB ALA 48 -2.174 -7.785 -28.395 323 3HB ALA 48 3HB ALA 48 -2.436 -8.384 -26.757 324 H LYS 49 H LYS 49 0.438 -7.737 -28.798 325 HA LYS 49 HA LYS 49 1.161 -5.046 -29.841 326 1HB LYS 49 2HB LYS 49 2.412 -7.728 -30.369 327 2HB LYS 49 1HB LYS 49 2.997 -6.195 -30.998 328 1HG LYS 49 2HG LYS 49 2.635 -5.999 -28.146 329 2HG LYS 49 1HG LYS 49 3.647 -7.395 -28.519 330 1HD LYS 49 2HD LYS 49 5.308 -5.823 -28.573 331 2HD LYS 49 1HD LYS 49 4.722 -5.579 -30.218 332 1HE LYS 49 2HE LYS 49 3.192 -3.801 -29.377 333 2HE LYS 49 1HE LYS 49 3.878 -4.008 -27.765 334 1HZ LYS 49 1HZ LYS 49 5.747 -3.580 -29.963 335 2HZ LYS 49 2HZ LYS 49 5.813 -3.032 -28.356 336 3HZ LYS 49 3HZ LYS 49 4.811 -2.248 -29.483 337 H GLY 50 H GLY 50 -1.324 -6.879 -30.330 338 1HA GLY 50 2HA GLY 50 -1.722 -6.112 -33.052 339 2HA GLY 50 1HA GLY 50 -1.305 -7.820 -32.983 340 H ASP 51 H ASP 51 -2.722 -9.231 -31.722 341 HA ASP 51 HA ASP 51 -5.198 -8.258 -30.613 342 1HB ASP 51 2HB ASP 51 -5.095 -8.836 -33.444 343 2HB ASP 51 1HB ASP 51 -6.229 -9.908 -32.626 344 H TRP 52 H TRP 52 -4.966 -9.643 -28.870 345 HA TRP 52 HA TRP 52 -5.712 -12.354 -29.040 346 1HB TRP 52 2HB TRP 52 -3.196 -13.139 -28.378 347 2HB TRP 52 1HB TRP 52 -3.832 -13.220 -30.020 348 HD1 TRP 52 HD1 TRP 52 -2.655 -10.076 -28.125 349 HE1 TRP 52 HE1 TRP 52 -0.782 -8.959 -29.492 350 HE3 TRP 52 HE3 TRP 52 -2.142 -13.499 -31.874 351 HZ2 TRP 52 HZ2 TRP 52 0.735 -9.448 -31.867 352 HZ3 TRP 52 HZ3 TRP 52 -0.479 -13.147 -33.678 353 HH2 TRP 52 HH2 TRP 52 0.958 -11.125 -33.680 354 H ASN 53 H ASN 53 -6.716 -11.064 -27.199 355 HA ASN 53 HA ASN 53 -6.988 -10.855 -24.880 356 1HB ASN 53 2HB ASN 53 -4.957 -12.950 -25.208 357 2HB ASN 53 1HB ASN 53 -4.836 -12.090 -23.673 358 1HD2 ASN 53 1HD2 ASN 53 -7.171 -13.871 -25.735 359 2HD2 ASN 53 2HD2 ASN 53 -8.185 -14.335 -24.455 360 H ASP 54 H ASP 54 -6.610 -8.926 -23.933 361 HA ASP 54 HA ASP 54 -4.011 -7.582 -24.336 362 1HB ASP 54 2HB ASP 54 -6.732 -6.752 -23.480 363 2HB ASP 54 1HB ASP 54 -5.369 -5.769 -22.957 364 H ASP 55 H ASP 55 -3.210 -6.325 -22.288 365 HA ASP 55 HA ASP 55 -2.733 -8.312 -20.208 366 1HB ASP 55 2HB ASP 55 -1.830 -5.524 -20.749 367 2HB ASP 55 1HB ASP 55 -1.601 -6.192 -19.139 368 H ARG 56 H ARG 56 -3.979 -8.551 -18.387 369 HA ARG 56 HA ARG 56 -5.732 -6.269 -17.638 370 1HB ARG 56 2HB ARG 56 -6.389 -9.194 -17.572 371 2HB ARG 56 1HB ARG 56 -7.435 -7.922 -16.958 372 1HG ARG 56 2HG ARG 56 -6.759 -7.073 -19.530 373 2HG ARG 56 1HG ARG 56 -7.026 -8.807 -19.706 374 1HD ARG 56 2HD ARG 56 -9.194 -8.516 -18.446 375 2HD ARG 56 1HD ARG 56 -8.942 -6.772 -18.540 376 HE ARG 56 HE ARG 56 -9.376 -6.872 -20.895 377 1HH1 ARG 56 1HH1 ARG 56 -11.374 -8.940 -19.807 378 2HH1 ARG 56 2HH1 ARG 56 -11.154 -10.227 -20.943 379 1HH2 ARG 56 1HH2 ARG 56 -8.175 -8.973 -22.195 380 2HH2 ARG 56 2HH2 ARG 56 -9.343 -10.247 -22.293 381 H CYS 57 H CYS 57 -5.017 -5.494 -15.689 382 HA CYS 57 HA CYS 57 -3.304 -6.762 -13.880 383 1HB CYS 57 2HB CYS 57 -5.553 -4.803 -13.338 384 2HB CYS 57 1HB CYS 57 -4.393 -5.304 -12.112 385 H THR 58 H THR 58 -3.737 -7.905 -11.876 386 HA THR 58 HA THR 58 -6.036 -9.734 -12.122 387 HB THR 58 HB THR 58 -4.926 -11.103 -10.537 388 HG1 THR 58 HG1 THR 58 -3.104 -10.183 -9.366 389 1HG2 THR 58 1HG2 THR 58 -3.204 -11.606 -11.896 390 2HG2 THR 58 2HG2 THR 58 -2.375 -10.102 -11.498 391 3HG2 THR 58 3HG2 THR 58 -3.576 -10.131 -12.788 392 H GLY 59 H GLY 59 -6.442 -10.299 -9.382 393 1HA GLY 59 2HA GLY 59 -7.961 -7.867 -8.604 394 2HA GLY 59 1HA GLY 59 -8.251 -9.494 -7.990 395 H GLN 60 H GLN 60 -4.944 -8.619 -8.153 396 HA GLN 60 HA GLN 60 -4.901 -7.545 -5.399 397 1HB GLN 60 2HB GLN 60 -3.352 -10.048 -6.117 398 2HB GLN 60 1HB GLN 60 -3.458 -9.278 -4.534 399 1HG GLN 60 2HG GLN 60 -5.885 -9.738 -4.473 400 2HG GLN 60 1HG GLN 60 -5.771 -10.524 -6.048 401 1HE2 GLN 60 1HE2 GLN 60 -4.700 -12.623 -6.159 402 2HE2 GLN 60 2HE2 GLN 60 -4.352 -13.517 -4.758 403 H SER 61 H SER 61 -3.962 -7.056 -8.389 404 HA SER 61 HA SER 61 -1.188 -6.246 -7.600 405 1HB SER 61 2HB SER 61 -0.734 -7.750 -9.296 406 2HB SER 61 1HB SER 61 -2.270 -7.459 -10.109 407 HG SER 61 HG SER 61 -0.152 -6.545 -10.981 408 H ALA 62 H ALA 62 -0.708 -4.096 -7.829 409 HA ALA 62 HA ALA 62 -2.841 -2.358 -8.969 410 1HB ALA 62 1HB ALA 62 -0.450 -1.294 -7.499 411 2HB ALA 62 2HB ALA 62 -1.746 -2.068 -6.588 412 3HB ALA 62 3HB ALA 62 -2.090 -0.650 -7.575 413 H ASP 63 H ASP 63 -0.118 -3.852 -10.015 414 HA ASP 63 HA ASP 63 0.613 -1.580 -11.814 415 1HB ASP 63 2HB ASP 63 2.457 -3.876 -11.497 416 2HB ASP 63 1HB ASP 63 2.827 -2.173 -11.726 417 H CYS 64 H CYS 64 1.915 -2.916 -13.804 418 HA CYS 64 HA CYS 64 0.100 -5.103 -14.673 419 1HB CYS 64 2HB CYS 64 -0.842 -3.047 -15.606 420 2HB CYS 64 1HB CYS 64 0.714 -2.629 -16.316 421 HA PRO 65 HA PRO 65 4.201 -6.471 -15.684 422 1HB PRO 65 2HB PRO 65 3.464 -9.105 -15.707 423 2HB PRO 65 1HB PRO 65 3.872 -8.228 -14.232 424 1HG PRO 65 2HG PRO 65 1.231 -9.153 -15.210 425 2HG PRO 65 1HG PRO 65 1.731 -8.735 -13.563 426 1HD PRO 65 2HD PRO 65 0.212 -7.115 -15.354 427 2HD PRO 65 1HD PRO 65 0.861 -6.631 -13.775 428 H ARG 66 H ARG 66 5.079 -7.667 -17.563 429 HA ARG 66 HA ARG 66 3.589 -7.150 -19.985 430 1HB ARG 66 2HB ARG 66 6.306 -7.915 -19.250 431 2HB ARG 66 1HB ARG 66 5.734 -8.782 -20.676 432 1HG ARG 66 2HG ARG 66 6.184 -6.937 -21.883 433 2HG ARG 66 1HG ARG 66 4.864 -6.134 -21.031 434 1HD ARG 66 2HD ARG 66 6.704 -5.820 -19.149 435 2HD ARG 66 1HD ARG 66 7.811 -6.008 -20.509 436 HE ARG 66 HE ARG 66 7.104 -3.895 -21.313 437 1HH1 ARG 66 1HH1 ARG 66 5.985 -4.299 -18.219 438 2HH1 ARG 66 2HH1 ARG 66 4.641 -3.213 -18.353 439 1HH2 ARG 66 1HH2 ARG 66 4.932 -2.850 -21.788 440 2HH2 ARG 66 2HH2 ARG 66 4.046 -2.394 -20.371 441 H TYR 67 H TYR 67 2.392 -8.598 -21.182 442 HA TYR 67 HA TYR 67 2.598 -11.471 -20.540 443 1HB TYR 67 2HB TYR 67 0.566 -9.989 -19.490 444 2HB TYR 67 1HB TYR 67 -0.137 -10.524 -21.013 445 HD1 TYR 67 HD1 TYR 67 -0.938 -11.395 -18.140 446 HD2 TYR 67 HD2 TYR 67 1.647 -13.106 -21.114 447 HE1 TYR 67 HE1 TYR 67 -1.327 -13.650 -17.181 448 HE2 TYR 67 HE2 TYR 67 1.257 -15.361 -20.155 449 HH TYR 67 HH TYR 67 0.577 -16.298 -17.883 450 H HIS 68 HN HIS 68 3.729 -10.356 -22.768 451 HA HIS 68 HA HIS 68 1.982 -11.444 -24.914 452 1HB HIS 68 2HB HIS 68 2.699 -9.518 -26.384 453 2HB HIS 68 1HB HIS 68 1.613 -9.062 -25.070 454 HD1 HIS 68 HD1 HIS 68 2.379 -7.029 -23.871 455 HD2 HIS 68 HD2 HIS 68 5.602 -9.226 -25.339 456 HE1 HIS 68 HE1 HIS 68 4.470 -5.756 -23.218 Start of MODEL 17 1 1H GLY 1 1HT GLY 1 11.942 -4.204 -6.061 2 2H GLY 1 2HT GLY 1 13.074 -4.214 -4.794 3 3H GLY 1 3HT GLY 1 13.243 -3.115 -6.078 4 1HA GLY 1 2HA GLY 1 11.783 -1.663 -5.232 5 2HA GLY 1 1HA GLY 1 10.712 -2.956 -4.691 6 H LYS 2 H LYS 2 13.438 -0.946 -3.826 7 HA LYS 2 HA LYS 2 14.052 -2.274 -1.330 8 1HB LYS 2 2HB LYS 2 14.540 0.629 -2.061 9 2HB LYS 2 1HB LYS 2 15.387 -0.312 -0.833 10 1HG LYS 2 2HG LYS 2 15.373 -1.031 -3.777 11 2HG LYS 2 1HG LYS 2 16.646 -0.081 -3.010 12 1HD LYS 2 2HD LYS 2 17.643 -2.006 -2.406 13 2HD LYS 2 1HD LYS 2 16.267 -2.334 -1.353 14 1HE LYS 2 2HE LYS 2 16.630 -4.198 -2.930 15 2HE LYS 2 1HE LYS 2 15.082 -3.410 -3.231 16 1HZ LYS 2 1HZ LYS 2 16.569 -3.889 -5.221 17 2HZ LYS 2 2HZ LYS 2 17.529 -2.599 -4.673 18 3HZ LYS 2 3HZ LYS 2 15.907 -2.332 -5.102 19 H GLU 3 H GLU 3 13.984 -0.158 0.534 20 HA GLU 3 HA GLU 3 11.251 -0.335 1.436 21 1HB GLU 3 2HB GLU 3 13.762 0.571 2.481 22 2HB GLU 3 1HB GLU 3 12.534 1.801 2.776 23 1HG GLU 3 2HG GLU 3 11.145 -0.458 3.402 24 2HG GLU 3 1HG GLU 3 12.774 -0.931 3.888 25 H CYS 4 H CYS 4 10.020 0.569 -0.306 26 HA CYS 4 HA CYS 4 9.423 3.370 -0.073 27 1HB CYS 4 2HB CYS 4 11.373 2.522 -2.156 28 2HB CYS 4 1HB CYS 4 10.111 3.628 -2.668 29 H ASP 5 H ASP 5 7.561 1.567 0.108 30 HA ASP 5 HA ASP 5 6.485 0.161 -2.007 31 1HB ASP 5 2HB ASP 5 5.506 0.657 0.393 32 2HB ASP 5 1HB ASP 5 4.601 1.911 -0.457 33 H CYS 6 H CYS 6 6.523 3.660 -1.630 34 HA CYS 6 HA CYS 6 5.379 3.864 -4.387 35 1HB CYS 6 2HB CYS 6 4.182 5.848 -3.771 36 2HB CYS 6 1HB CYS 6 3.833 4.658 -2.521 37 H SER 7 H SER 7 6.033 6.070 -5.399 38 HA SER 7 HA SER 7 8.883 6.597 -4.666 39 1HB SER 7 2HB SER 7 8.399 7.612 -7.241 40 2HB SER 7 1HB SER 7 9.301 6.156 -6.830 41 HG SER 7 HG SER 7 6.488 6.328 -7.204 42 H SER 8 H SER 8 5.753 7.981 -4.857 43 HA SER 8 HA SER 8 6.865 10.735 -4.954 44 1HB SER 8 2HB SER 8 4.456 9.546 -5.888 45 2HB SER 8 1HB SER 8 4.028 10.726 -4.655 46 HG SER 8 HG SER 8 4.218 11.930 -6.443 47 HA PRO 9 HA PRO 9 6.445 10.790 -0.521 48 1HB PRO 9 2HB PRO 9 7.327 13.372 -0.201 49 2HB PRO 9 1HB PRO 9 8.410 11.997 -0.478 50 1HG PRO 9 2HG PRO 9 7.602 14.160 -2.364 51 2HG PRO 9 1HG PRO 9 9.072 13.170 -2.354 52 1HD PRO 9 2HD PRO 9 6.827 12.805 -4.049 53 2HD PRO 9 1HD PRO 9 8.162 11.656 -3.813 54 H GLU 10 H GLU 10 4.658 12.545 -2.800 55 HA GLU 10 HA GLU 10 3.089 13.996 -0.733 56 1HB GLU 10 2HB GLU 10 2.733 14.106 -3.739 57 2HB GLU 10 1HB GLU 10 2.135 15.254 -2.542 58 1HG GLU 10 2HG GLU 10 4.315 16.072 -2.072 59 2HG GLU 10 1HG GLU 10 5.086 14.701 -2.870 60 H ASN 11 H ASN 11 3.032 11.112 -2.561 61 HA ASN 11 HA ASN 11 0.258 10.755 -3.024 62 1HB ASN 11 2HB ASN 11 2.374 9.269 -3.628 63 2HB ASN 11 1HB ASN 11 1.930 8.435 -2.139 64 1HD2 ASN 11 1HD2 ASN 11 1.526 8.055 -5.334 65 2HD2 ASN 11 2HD2 ASN 11 -0.046 7.423 -5.390 66 HA PRO 12 HA PRO 12 -1.046 10.490 1.229 67 1HB PRO 12 2HB PRO 12 -3.705 10.073 0.665 68 2HB PRO 12 1HB PRO 12 -2.927 11.664 0.600 69 1HG PRO 12 2HG PRO 12 -3.780 9.901 -1.646 70 2HG PRO 12 1HG PRO 12 -3.586 11.662 -1.611 71 1HD PRO 12 2HD PRO 12 -1.758 9.808 -2.730 72 2HD PRO 12 1HD PRO 12 -1.444 11.527 -2.410 73 H CYS 13 H CYS 13 -1.179 7.999 -1.142 74 HA CYS 13 HA CYS 13 -2.456 6.012 0.503 75 1HB CYS 13 2HB CYS 13 -2.760 5.701 -1.808 76 2HB CYS 13 1HB CYS 13 -1.088 6.065 -2.156 77 H CYS 14 H CYS 14 0.765 7.255 0.060 78 HA CYS 14 HA CYS 14 1.747 4.980 1.724 79 1HB CYS 14 2HB CYS 14 3.795 4.926 0.468 80 2HB CYS 14 1HB CYS 14 2.479 4.921 -0.702 81 H ASP 15 H ASP 15 2.918 5.453 3.454 82 HA ASP 15 HA ASP 15 3.025 8.061 4.556 83 1HB ASP 15 2HB ASP 15 3.527 5.594 5.524 84 2HB ASP 15 1HB ASP 15 5.170 6.170 5.287 85 H ALA 16 H ALA 16 4.348 9.757 4.080 86 HA ALA 16 HA ALA 16 6.546 9.323 2.179 87 1HB ALA 16 1HB ALA 16 4.700 11.240 2.193 88 2HB ALA 16 2HB ALA 16 6.337 11.554 1.613 89 3HB ALA 16 3HB ALA 16 5.872 12.027 3.248 90 H ALA 17 H ALA 17 6.769 8.492 5.042 91 HA ALA 17 HA ALA 17 9.101 10.225 5.764 92 1HB ALA 17 1HB ALA 17 8.281 10.461 7.852 93 2HB ALA 17 2HB ALA 17 8.047 8.720 8.008 94 3HB ALA 17 3HB ALA 17 6.785 9.718 7.284 95 H THR 18 H THR 18 7.768 6.986 5.534 96 HA THR 18 HA THR 18 10.510 5.899 5.990 97 HB THR 18 HB THR 18 7.845 5.042 6.914 98 HG1 THR 18 HG1 THR 18 9.378 4.055 8.484 99 1HG2 THR 18 1HG2 THR 18 8.581 2.637 7.029 100 2HG2 THR 18 2HG2 THR 18 9.897 3.048 5.930 101 3HG2 THR 18 3HG2 THR 18 8.224 3.200 5.395 102 H CYS 19 H CYS 19 8.365 6.640 3.613 103 HA CYS 19 HA CYS 19 8.175 5.962 1.374 104 1HB CYS 19 2HB CYS 19 10.836 5.519 2.045 105 2HB CYS 19 1HB CYS 19 10.301 3.999 1.368 106 H LYS 20 H LYS 20 6.223 4.807 2.306 107 HA LYS 20 HA LYS 20 6.150 2.128 1.274 108 1HB LYS 20 2HB LYS 20 6.778 2.476 4.135 109 2HB LYS 20 1HB LYS 20 5.457 1.354 3.795 110 1HG LYS 20 2HG LYS 20 7.546 0.873 1.903 111 2HG LYS 20 1HG LYS 20 8.257 0.898 3.518 112 1HD LYS 20 2HD LYS 20 5.881 -0.526 3.850 113 2HD LYS 20 1HD LYS 20 6.510 -1.096 2.303 114 1HE LYS 20 2HE LYS 20 8.794 -1.069 3.777 115 2HE LYS 20 1HE LYS 20 7.612 -1.437 5.033 116 1HZ LYS 20 1HZ LYS 20 7.990 -2.908 2.481 117 2HZ LYS 20 2HZ LYS 20 6.764 -3.231 3.611 118 3HZ LYS 20 3HZ LYS 20 8.393 -3.463 4.032 119 H LEU 21 H LEU 21 3.940 1.066 2.048 120 HA LEU 21 HA LEU 21 1.956 3.254 1.869 121 1HB LEU 21 2HB LEU 21 2.049 0.464 1.025 122 2HB LEU 21 1HB LEU 21 0.524 0.930 1.782 123 HG LEU 21 HG LEU 21 0.318 2.837 0.244 124 1HD1 LEU 21 1HD1 LEU 21 2.717 1.778 -1.241 125 2HD1 LEU 21 2HD1 LEU 21 2.885 3.024 -0.005 126 3HD1 LEU 21 3HD1 LEU 21 1.906 3.329 -1.441 127 1HD2 LEU 21 1HD2 LEU 21 -0.722 1.450 -1.140 128 2HD2 LEU 21 2HD2 LEU 21 0.200 0.107 -0.467 129 3HD2 LEU 21 3HD2 LEU 21 0.826 1.003 -1.850 130 H ARG 22 H ARG 22 0.011 3.155 3.133 131 HA ARG 22 HA ARG 22 0.546 2.494 5.916 132 1HB ARG 22 2HB ARG 22 -1.443 4.004 4.421 133 2HB ARG 22 1HB ARG 22 -2.210 2.965 5.621 134 1HG ARG 22 2HG ARG 22 -0.040 4.013 6.995 135 2HG ARG 22 1HG ARG 22 -0.588 5.372 6.013 136 1HD ARG 22 2HD ARG 22 -2.957 4.276 6.952 137 2HD ARG 22 1HD ARG 22 -1.866 4.120 8.328 138 HE ARG 22 HE ARG 22 -1.633 6.530 8.365 139 1HH1 ARG 22 1HH1 ARG 22 -2.867 5.771 5.329 140 2HH1 ARG 22 2HH1 ARG 22 -4.006 7.075 5.275 141 1HH2 ARG 22 1HH2 ARG 22 -3.480 8.021 8.569 142 2HH2 ARG 22 2HH2 ARG 22 -4.354 8.347 7.109 143 HA PRO 23 HA PRO 23 -0.682 -1.742 5.370 144 1HB PRO 23 2HB PRO 23 -0.946 -2.295 8.073 145 2HB PRO 23 1HB PRO 23 0.596 -2.281 7.198 146 1HG PRO 23 2HG PRO 23 -0.584 -0.153 8.974 147 2HG PRO 23 1HG PRO 23 1.112 -0.645 8.787 148 1HD PRO 23 2HD PRO 23 0.100 1.610 7.564 149 2HD PRO 23 1HD PRO 23 1.421 0.654 6.876 150 H GLY 24 H GLY 24 -2.682 -1.077 4.409 151 1HA GLY 24 2HA GLY 24 -5.034 -2.060 5.652 152 2HA GLY 24 1HA GLY 24 -5.053 -0.294 5.767 153 H ALA 25 H ALA 25 -3.594 0.227 3.437 154 HA ALA 25 HA ALA 25 -5.618 -0.096 1.350 155 1HB ALA 25 1HB ALA 25 -4.533 2.045 1.606 156 2HB ALA 25 2HB ALA 25 -4.019 1.332 0.077 157 3HB ALA 25 3HB ALA 25 -2.947 1.286 1.476 158 H GLN 26 H GLN 26 -3.686 -0.201 -0.863 159 HA GLN 26 HA GLN 26 -2.274 -2.733 -0.374 160 1HB GLN 26 2HB GLN 26 -4.766 -2.532 -1.853 161 2HB GLN 26 1HB GLN 26 -3.486 -3.316 -2.778 162 1HG GLN 26 2HG GLN 26 -3.699 -5.185 -1.540 163 2HG GLN 26 1HG GLN 26 -3.407 -4.262 -0.066 164 1HE2 GLN 26 1HE2 GLN 26 -5.079 -5.393 1.147 165 2HE2 GLN 26 2HE2 GLN 26 -6.727 -5.159 0.816 166 H CYS 27 H CYS 27 -2.218 0.262 -1.900 167 HA CYS 27 HA CYS 27 0.324 -0.235 -3.059 168 1HB CYS 27 2HB CYS 27 -0.357 -0.058 -5.496 169 2HB CYS 27 1HB CYS 27 -0.679 -1.605 -4.713 170 H GLY 28 H GLY 28 1.301 1.681 -3.661 171 1HA GLY 28 2HA GLY 28 -0.415 4.110 -3.534 172 2HA GLY 28 1HA GLY 28 1.299 4.083 -3.159 173 H GLU 29 H GLU 29 0.874 2.160 -5.818 174 HA GLU 29 HA GLU 29 0.454 4.033 -7.920 175 1HB GLU 29 2HB GLU 29 2.792 4.454 -8.616 176 2HB GLU 29 1HB GLU 29 2.450 5.133 -7.022 177 1HG GLU 29 2HG GLU 29 4.298 4.011 -6.346 178 2HG GLU 29 1HG GLU 29 3.271 2.578 -6.401 179 H GLY 30 H GLY 30 0.123 2.856 -9.731 180 1HA GLY 30 2HA GLY 30 1.766 0.753 -10.691 181 2HA GLY 30 1HA GLY 30 0.424 0.027 -9.809 182 H LEU 31 H LEU 31 0.715 -0.350 -12.593 183 HA LEU 31 HA LEU 31 -0.724 1.495 -14.212 184 1HB LEU 31 2HB LEU 31 0.348 -1.125 -14.514 185 2HB LEU 31 1HB LEU 31 -1.307 -1.137 -15.104 186 HG LEU 31 HG LEU 31 0.433 -0.501 -16.833 187 1HD1 LEU 31 1HD1 LEU 31 -0.909 1.377 -17.713 188 2HD1 LEU 31 2HD1 LEU 31 -1.676 1.566 -16.137 189 3HD1 LEU 31 3HD1 LEU 31 -1.946 0.100 -17.079 190 1HD2 LEU 31 1HD2 LEU 31 1.292 1.191 -14.755 191 2HD2 LEU 31 2HD2 LEU 31 0.585 2.264 -15.962 192 3HD2 LEU 31 3HD2 LEU 31 1.891 1.169 -16.413 193 H CYS 32 H CYS 32 -1.810 -1.012 -12.008 194 HA CYS 32 HA CYS 32 -4.614 -0.118 -12.523 195 1HB CYS 32 2HB CYS 32 -4.089 -2.920 -11.618 196 2HB CYS 32 1HB CYS 32 -5.421 -2.288 -12.581 197 H CYS 33 H CYS 33 -4.226 1.326 -10.666 198 HA CYS 33 HA CYS 33 -4.978 0.005 -8.172 199 1HB CYS 33 2HB CYS 33 -2.202 0.779 -8.690 200 2HB CYS 33 1HB CYS 33 -2.860 1.501 -7.220 201 H GLU 34 H GLU 34 -6.268 1.352 -7.042 202 HA GLU 34 HA GLU 34 -6.466 4.166 -7.939 203 1HB GLU 34 2HB GLU 34 -8.355 3.135 -5.924 204 2HB GLU 34 1HB GLU 34 -8.674 4.083 -7.373 205 1HG GLU 34 2HG GLU 34 -8.149 1.985 -8.712 206 2HG GLU 34 1HG GLU 34 -8.193 1.103 -7.185 207 H GLN 35 H GLN 35 -7.580 5.237 -5.554 208 HA GLN 35 HA GLN 35 -5.259 6.095 -4.204 209 1HB GLN 35 2HB GLN 35 -8.066 6.555 -4.023 210 2HB GLN 35 1HB GLN 35 -7.474 6.210 -2.397 211 1HG GLN 35 2HG GLN 35 -5.522 7.850 -3.100 212 2HG GLN 35 1HG GLN 35 -6.719 8.438 -4.255 213 1HE2 GLN 35 1HE2 GLN 35 -8.522 9.641 -3.437 214 2HE2 GLN 35 2HE2 GLN 35 -8.677 10.067 -1.801 215 H CYS 36 H CYS 36 -3.972 4.378 -3.545 216 HA CYS 36 HA CYS 36 -3.273 2.577 -2.214 217 1HB CYS 36 2HB CYS 36 -4.401 4.608 -0.577 218 2HB CYS 36 1HB CYS 36 -4.885 3.074 0.091 219 H LYS 37 H LYS 37 -5.014 1.585 -3.937 220 HA LYS 37 HA LYS 37 -6.341 -0.509 -2.376 221 1HB LYS 37 2HB LYS 37 -7.992 1.453 -2.528 222 2HB LYS 37 1HB LYS 37 -8.065 1.118 -4.258 223 1HG LYS 37 2HG LYS 37 -9.049 -0.984 -3.943 224 2HG LYS 37 1HG LYS 37 -8.478 -1.110 -2.278 225 1HD LYS 37 2HD LYS 37 -10.512 0.941 -3.191 226 2HD LYS 37 1HD LYS 37 -10.951 -0.621 -2.499 227 1HE LYS 37 2HE LYS 37 -8.978 0.578 -0.809 228 2HE LYS 37 1HE LYS 37 -10.238 1.773 -1.118 229 1HZ LYS 37 1HZ LYS 37 -11.814 -0.193 -0.636 230 2HZ LYS 37 2HZ LYS 37 -11.076 0.613 0.666 231 3HZ LYS 37 3HZ LYS 37 -10.467 -0.881 0.133 232 H PHE 38 H PHE 38 -6.132 -2.383 -3.525 233 HA PHE 38 HA PHE 38 -4.832 -2.469 -6.055 234 1HB PHE 38 2HB PHE 38 -6.259 -4.420 -4.323 235 2HB PHE 38 1HB PHE 38 -6.088 -4.859 -6.021 236 HD1 PHE 38 HD1 PHE 38 -3.519 -3.669 -6.762 237 HD2 PHE 38 HD2 PHE 38 -4.667 -5.694 -3.153 238 HE1 PHE 38 HE1 PHE 38 -1.155 -4.307 -6.368 239 HE2 PHE 38 HE2 PHE 38 -2.303 -6.332 -2.757 240 HZ PHE 38 HZ PHE 38 -0.547 -5.637 -4.365 241 H SER 39 H SER 39 -5.653 -1.978 -8.037 242 HA SER 39 HA SER 39 -8.310 -1.190 -8.538 243 1HB SER 39 2HB SER 39 -7.797 -1.529 -10.922 244 2HB SER 39 1HB SER 39 -6.411 -0.807 -10.108 245 HG SER 39 HG SER 39 -5.649 -3.032 -9.863 246 H ARG 40 H ARG 40 -9.623 -2.635 -10.358 247 HA ARG 40 HA ARG 40 -10.070 -5.203 -8.972 248 1HB ARG 40 2HB ARG 40 -11.814 -3.242 -10.047 249 2HB ARG 40 1HB ARG 40 -12.018 -4.710 -11.001 250 1HG ARG 40 2HG ARG 40 -13.534 -4.939 -9.179 251 2HG ARG 40 1HG ARG 40 -12.155 -5.961 -8.769 252 1HD ARG 40 2HD ARG 40 -12.148 -4.822 -6.806 253 2HD ARG 40 1HD ARG 40 -11.379 -3.537 -7.737 254 HE ARG 40 HE ARG 40 -14.350 -3.604 -7.548 255 1HH1 ARG 40 1HH2 ARG 40 -11.886 -2.531 -5.622 256 2HH1 ARG 40 2HH2 ARG 40 -12.275 -0.847 -5.717 257 1HH2 ARG 40 1HH1 ARG 40 -14.610 -1.255 -8.249 258 2HH2 ARG 40 2HH1 ARG 40 -13.818 -0.124 -7.202 259 H ALA 41 H ALA 41 -9.938 -7.173 -10.083 260 HA ALA 41 HA ALA 41 -8.135 -7.457 -12.208 261 1HB ALA 41 1HB ALA 41 -9.188 -9.690 -12.584 262 2HB ALA 41 2HB ALA 41 -10.515 -9.215 -11.527 263 3HB ALA 41 3HB ALA 41 -8.885 -9.375 -10.876 264 H GLY 42 H GLY 42 -8.939 -8.501 -14.460 265 1HA GLY 42 2HA GLY 42 -10.000 -8.035 -16.506 266 2HA GLY 42 1HA GLY 42 -11.396 -7.537 -15.554 267 H LYS 43 H LYS 43 -8.218 -6.118 -15.095 268 HA LYS 43 HA LYS 43 -9.356 -3.540 -16.039 269 1HB LYS 43 2HB LYS 43 -8.620 -3.378 -13.776 270 2HB LYS 43 1HB LYS 43 -7.116 -4.215 -14.136 271 1HG LYS 43 2HG LYS 43 -6.308 -2.061 -14.178 272 2HG LYS 43 1HG LYS 43 -6.857 -2.145 -15.839 273 1HD LYS 43 2HD LYS 43 -8.575 -0.702 -15.486 274 2HD LYS 43 1HD LYS 43 -8.957 -1.404 -13.913 275 1HE LYS 43 2HE LYS 43 -6.975 -0.244 -12.948 276 2HE LYS 43 1HE LYS 43 -6.684 0.513 -14.515 277 1HZ LYS 43 1HZ LYS 43 -9.229 0.763 -13.010 278 2HZ LYS 43 2HZ LYS 43 -8.763 1.626 -14.399 279 3HZ LYS 43 3HZ LYS 43 -7.969 1.896 -12.920 280 H ILE 44 H ILE 44 -8.556 -2.639 -17.896 281 HA ILE 44 HA ILE 44 -6.477 -4.069 -19.344 282 HB ILE 44 HB ILE 44 -8.367 -1.877 -19.911 283 1HG1 ILE 44 2HG1 ILE 44 -8.775 -4.194 -20.594 284 2HG1 ILE 44 1HG1 ILE 44 -8.565 -3.174 -22.019 285 1HG2 ILE 44 1HG2 ILE 44 -5.688 -2.125 -21.295 286 2HG2 ILE 44 2HG2 ILE 44 -6.380 -0.683 -20.553 287 3HG2 ILE 44 3HG2 ILE 44 -7.080 -1.334 -22.035 288 1HD1 ILE 44 1HD1 ILE 44 -6.978 -4.650 -22.670 289 2HD1 ILE 44 2HD1 ILE 44 -6.918 -5.401 -21.075 290 3HD1 ILE 44 3HD1 ILE 44 -5.972 -3.949 -21.402 291 H CYS 45 H CYS 45 -4.409 -3.818 -18.865 292 HA CYS 45 HA CYS 45 -3.467 -1.169 -17.874 293 1HB CYS 45 2HB CYS 45 -1.342 -2.669 -17.369 294 2HB CYS 45 1HB CYS 45 -2.702 -2.636 -16.260 295 H ARG 46 H ARG 46 -3.573 -3.097 -20.618 296 HA ARG 46 HA ARG 46 -1.726 -1.336 -22.006 297 1HB ARG 46 2HB ARG 46 -0.486 -3.434 -20.778 298 2HB ARG 46 1HB ARG 46 -0.862 -4.144 -22.348 299 1HG ARG 46 2HG ARG 46 0.752 -2.938 -23.355 300 2HG ARG 46 1HG ARG 46 0.140 -1.439 -22.658 301 1HD ARG 46 2HD ARG 46 1.730 -1.426 -21.053 302 2HD ARG 46 1HD ARG 46 1.453 -3.123 -20.665 303 HE ARG 46 HE ARG 46 3.692 -2.252 -22.061 304 1HH1 ARG 46 1HH1 ARG 46 1.299 -4.688 -22.141 305 2HH1 ARG 46 2HH1 ARG 46 2.014 -5.553 -23.462 306 1HH2 ARG 46 1HH2 ARG 46 4.500 -3.197 -24.004 307 2HH2 ARG 46 2HH2 ARG 46 3.827 -4.709 -24.517 308 H ILE 47 H ILE 47 -1.572 -1.925 -24.336 309 HA ILE 47 HA ILE 47 -4.067 -3.319 -25.211 310 HB ILE 47 HB ILE 47 -4.049 -0.887 -25.659 311 1HG1 ILE 47 2HG1 ILE 47 -3.568 -2.226 -28.308 312 2HG1 ILE 47 1HG1 ILE 47 -4.943 -2.710 -27.311 313 1HG2 ILE 47 1HG2 ILE 47 -1.341 -1.562 -26.592 314 2HG2 ILE 47 2HG2 ILE 47 -1.981 -0.025 -26.011 315 3HG2 ILE 47 3HG2 ILE 47 -2.233 -0.508 -27.688 316 1HD1 ILE 47 1HD1 ILE 47 -4.742 0.170 -27.395 317 2HD1 ILE 47 2HD1 ILE 47 -6.085 -0.861 -27.890 318 3HD1 ILE 47 3HD1 ILE 47 -4.797 -0.481 -29.033 319 H ALA 48 H ALA 48 -3.804 -4.209 -27.531 320 HA ALA 48 HA ALA 48 -1.051 -5.243 -27.890 321 1HB ALA 48 1HB ALA 48 -2.306 -7.068 -27.022 322 2HB ALA 48 2HB ALA 48 -2.177 -7.355 -28.755 323 3HB ALA 48 3HB ALA 48 -3.675 -6.714 -28.073 324 H LYS 49 H LYS 49 -1.416 -6.558 -30.312 325 HA LYS 49 HA LYS 49 -1.451 -4.361 -32.186 326 1HB LYS 49 2HB LYS 49 -0.958 -7.259 -32.289 327 2HB LYS 49 1HB LYS 49 -1.420 -6.489 -33.800 328 1HG LYS 49 2HG LYS 49 0.400 -4.704 -33.017 329 2HG LYS 49 1HG LYS 49 1.032 -6.094 -32.133 330 1HD LYS 49 2HD LYS 49 0.334 -6.935 -34.784 331 2HD LYS 49 1HD LYS 49 1.349 -5.498 -34.897 332 1HE LYS 49 2HE LYS 49 2.859 -6.673 -33.151 333 2HE LYS 49 1HE LYS 49 1.977 -8.139 -33.583 334 1HZ LYS 49 1HZ LYS 49 2.887 -6.578 -35.834 335 2HZ LYS 49 2HZ LYS 49 2.976 -8.253 -35.565 336 3HZ LYS 49 3HZ LYS 49 4.139 -7.217 -34.884 337 H GLY 50 H GLY 50 -3.177 -7.343 -32.857 338 1HA GLY 50 2HA GLY 50 -5.618 -5.731 -33.221 339 2HA GLY 50 1HA GLY 50 -5.136 -6.899 -34.437 340 H ASP 51 H ASP 51 -4.712 -9.216 -33.231 341 HA ASP 51 HA ASP 51 -7.049 -9.683 -31.468 342 1HB ASP 51 2HB ASP 51 -6.486 -10.762 -34.054 343 2HB ASP 51 1HB ASP 51 -6.453 -12.066 -32.868 344 H TRP 52 H TRP 52 -6.589 -10.710 -29.585 345 HA TRP 52 HA TRP 52 -4.824 -12.823 -29.073 346 1HB TRP 52 2HB TRP 52 -3.022 -11.122 -27.887 347 2HB TRP 52 1HB TRP 52 -2.782 -11.847 -29.471 348 HD1 TRP 52 HD1 TRP 52 -1.680 -9.958 -30.771 349 HE1 TRP 52 HE1 TRP 52 -2.379 -7.588 -31.424 350 HE3 TRP 52 HE3 TRP 52 -5.839 -9.360 -27.860 351 HZ2 TRP 52 HZ2 TRP 52 -4.415 -5.677 -30.801 352 HZ3 TRP 52 HZ3 TRP 52 -7.128 -7.271 -27.944 353 HH2 TRP 52 HH2 TRP 52 -6.398 -5.423 -29.417 354 H ASN 53 H ASN 53 -3.713 -12.045 -26.577 355 HA ASN 53 HA ASN 53 -6.202 -11.578 -25.023 356 1HB ASN 53 2HB ASN 53 -3.765 -13.138 -24.641 357 2HB ASN 53 1HB ASN 53 -4.099 -12.103 -23.253 358 1HD2 ASN 53 1HD2 ASN 53 -6.640 -12.146 -22.678 359 2HD2 ASN 53 2HD2 ASN 53 -7.329 -13.697 -22.640 360 H ASP 54 H ASP 54 -6.491 -9.377 -24.717 361 HA ASP 54 HA ASP 54 -4.434 -7.413 -24.783 362 1HB ASP 54 2HB ASP 54 -7.251 -7.487 -24.224 363 2HB ASP 54 1HB ASP 54 -6.444 -6.478 -23.028 364 H ASP 55 H ASP 55 -4.020 -5.961 -22.752 365 HA ASP 55 HA ASP 55 -2.841 -7.719 -20.721 366 1HB ASP 55 2HB ASP 55 -2.491 -4.977 -21.653 367 2HB ASP 55 1HB ASP 55 -2.401 -5.120 -19.901 368 H ARG 56 H ARG 56 -3.972 -8.290 -18.924 369 HA ARG 56 HA ARG 56 -6.108 -6.437 -17.957 370 1HB ARG 56 2HB ARG 56 -6.551 -8.926 -18.916 371 2HB ARG 56 1HB ARG 56 -6.225 -9.310 -17.227 372 1HG ARG 56 2HG ARG 56 -8.200 -8.465 -16.565 373 2HG ARG 56 1HG ARG 56 -7.956 -6.985 -17.494 374 1HD ARG 56 2HD ARG 56 -9.900 -8.098 -18.398 375 2HD ARG 56 1HD ARG 56 -8.590 -8.273 -19.566 376 HE ARG 56 HE ARG 56 -8.578 -10.524 -17.799 377 1HH1 ARG 56 1HH1 ARG 56 -9.189 -9.610 -20.929 378 2HH1 ARG 56 2HH1 ARG 56 -10.353 -10.846 -21.270 379 1HH2 ARG 56 1HH2 ARG 56 -10.601 -11.890 -17.971 380 2HH2 ARG 56 2HH2 ARG 56 -11.154 -12.136 -19.595 381 H CYS 57 H CYS 57 -6.329 -6.258 -15.682 382 HA CYS 57 HA CYS 57 -3.879 -7.045 -14.182 383 1HB CYS 57 2HB CYS 57 -5.966 -5.176 -13.095 384 2HB CYS 57 1HB CYS 57 -4.238 -5.212 -12.775 385 H THR 58 H THR 58 -4.277 -7.875 -11.974 386 HA THR 58 HA THR 58 -6.730 -9.552 -11.924 387 HB THR 58 HB THR 58 -5.558 -10.956 -10.369 388 HG1 THR 58 HG1 THR 58 -3.779 -8.763 -10.214 389 1HG2 THR 58 1HG2 THR 58 -4.562 -11.678 -12.277 390 2HG2 THR 58 2HG2 THR 58 -3.135 -10.850 -11.653 391 3HG2 THR 58 3HG2 THR 58 -4.190 -10.038 -12.811 392 H GLY 59 H GLY 59 -7.501 -9.908 -9.511 393 1HA GLY 59 2HA GLY 59 -8.090 -7.210 -8.470 394 2HA GLY 59 1HA GLY 59 -8.874 -8.707 -7.967 395 H GLN 60 H GLN 60 -5.433 -8.787 -8.159 396 HA GLN 60 HA GLN 60 -5.151 -8.172 -5.266 397 1HB GLN 60 2HB GLN 60 -4.396 -10.791 -6.589 398 2HB GLN 60 1HB GLN 60 -3.799 -10.296 -5.005 399 1HG GLN 60 2HG GLN 60 -6.647 -9.921 -5.081 400 2HG GLN 60 1HG GLN 60 -6.271 -11.561 -5.608 401 1HE2 GLN 60 1HE2 GLN 60 -6.014 -13.030 -3.927 402 2HE2 GLN 60 2HE2 GLN 60 -5.567 -12.631 -2.339 403 H SER 61 H SER 61 -4.130 -7.401 -8.214 404 HA SER 61 HA SER 61 -1.326 -6.988 -7.274 405 1HB SER 61 2HB SER 61 -1.789 -7.336 -10.174 406 2HB SER 61 1HB SER 61 -0.387 -7.767 -9.209 407 HG SER 61 HG SER 61 -1.648 -9.583 -9.932 408 H ALA 62 H ALA 62 -0.233 -5.194 -8.557 409 HA ALA 62 HA ALA 62 -2.242 -3.073 -9.220 410 1HB ALA 62 1HB ALA 62 -0.589 -1.440 -8.399 411 2HB ALA 62 2HB ALA 62 0.533 -2.750 -8.030 412 3HB ALA 62 3HB ALA 62 -0.982 -2.609 -7.138 413 H ASP 63 H ASP 63 1.285 -3.526 -9.727 414 HA ASP 63 HA ASP 63 1.329 -2.169 -12.217 415 1HB ASP 63 2HB ASP 63 3.135 -4.213 -10.986 416 2HB ASP 63 1HB ASP 63 3.452 -3.583 -12.596 417 H CYS 64 H CYS 64 1.872 -3.276 -14.355 418 HA CYS 64 HA CYS 64 0.141 -5.697 -14.657 419 1HB CYS 64 2HB CYS 64 -0.663 -3.588 -15.780 420 2HB CYS 64 1HB CYS 64 0.786 -3.635 -16.779 421 HA PRO 65 HA PRO 65 3.841 -7.665 -15.901 422 1HB PRO 65 2HB PRO 65 2.635 -10.031 -16.571 423 2HB PRO 65 1HB PRO 65 2.992 -9.562 -14.909 424 1HG PRO 65 2HG PRO 65 0.384 -9.675 -16.328 425 2HG PRO 65 1HG PRO 65 0.719 -9.745 -14.589 426 1HD PRO 65 2HD PRO 65 -0.219 -7.490 -16.036 427 2HD PRO 65 1HD PRO 65 0.353 -7.503 -14.356 428 H ARG 66 H ARG 66 4.742 -8.620 -17.917 429 HA ARG 66 HA ARG 66 3.895 -7.258 -20.270 430 1HB ARG 66 2HB ARG 66 5.468 -8.813 -21.456 431 2HB ARG 66 1HB ARG 66 6.191 -8.007 -20.065 432 1HG ARG 66 2HG ARG 66 5.720 -10.014 -18.679 433 2HG ARG 66 1HG ARG 66 5.063 -10.821 -20.103 434 1HD ARG 66 2HD ARG 66 7.389 -10.160 -21.169 435 2HD ARG 66 1HD ARG 66 7.904 -10.091 -19.484 436 HE ARG 66 HE ARG 66 6.521 -12.536 -19.844 437 1HH1 ARG 66 1HH2 ARG 66 9.580 -11.276 -19.572 438 2HH1 ARG 66 2HH2 ARG 66 10.391 -12.550 -20.420 439 1HH2 ARG 66 1HH1 ARG 66 7.462 -14.033 -21.535 440 2HH2 ARG 66 2HH1 ARG 66 9.191 -14.110 -21.532 441 H TYR 67 H TYR 67 3.423 -8.621 -22.368 442 HA TYR 67 HA TYR 67 1.921 -11.060 -22.062 443 1HB TYR 67 2HB TYR 67 0.511 -8.735 -21.426 444 2HB TYR 67 1HB TYR 67 0.022 -9.122 -23.073 445 HD1 TYR 67 HD1 TYR 67 -0.480 -9.865 -19.628 446 HD2 TYR 67 HD2 TYR 67 -0.594 -11.622 -23.548 447 HE1 TYR 67 HE1 TYR 67 -1.935 -11.683 -18.772 448 HE2 TYR 67 HE2 TYR 67 -2.050 -13.438 -22.690 449 HH TYR 67 HH TYR 67 -3.241 -14.171 -20.954 450 H HIS 68 HN HIS 68 1.771 -8.139 -24.134 451 HA HIS 68 HA HIS 68 2.353 -9.943 -26.451 452 1HB HIS 68 2HB HIS 68 0.082 -8.856 -26.459 453 2HB HIS 68 1HB HIS 68 0.890 -7.289 -26.525 454 HD1 HIS 68 HD1 HIS 68 1.272 -10.581 -28.435 455 HD2 HIS 68 HD2 HIS 68 1.086 -6.479 -29.147 456 HE1 HIS 68 HE1 HIS 68 1.507 -10.278 -30.938 Start of MODEL 18 1 1H GLY 1 1HT GLY 1 16.075 -6.481 0.928 2 2H GLY 1 2HT GLY 1 16.343 -8.065 1.480 3 3H GLY 1 3HT GLY 1 14.895 -7.263 1.862 4 1HA GLY 1 1HA GLY 1 15.767 -8.121 -0.844 5 2HA GLY 1 2HA GLY 1 14.488 -8.858 0.122 6 H LYS 2 H LYS 2 12.537 -8.260 -0.681 7 HA LYS 2 HA LYS 2 12.250 -5.560 -1.894 8 1HB LYS 2 2HB LYS 2 11.407 -7.962 -2.821 9 2HB LYS 2 1HB LYS 2 9.976 -7.472 -1.915 10 1HG LYS 2 2HG LYS 2 10.570 -5.144 -3.198 11 2HG LYS 2 1HG LYS 2 11.127 -6.322 -4.388 12 1HD LYS 2 2HD LYS 2 8.567 -7.103 -3.247 13 2HD LYS 2 1HD LYS 2 8.481 -5.502 -3.981 14 1HE LYS 2 2HE LYS 2 10.017 -7.232 -5.688 15 2HE LYS 2 1HE LYS 2 8.483 -8.014 -5.305 16 1HZ LYS 2 1HZ LYS 2 7.301 -6.085 -6.033 17 2HZ LYS 2 2HZ LYS 2 8.376 -6.545 -7.265 18 3HZ LYS 2 3HZ LYS 2 8.740 -5.218 -6.267 19 H GLU 3 H GLU 3 11.382 -3.978 -0.645 20 HA GLU 3 HA GLU 3 9.113 -4.542 1.113 21 1HB GLU 3 2HB GLU 3 10.486 -3.379 3.054 22 2HB GLU 3 1HB GLU 3 10.604 -5.120 2.799 23 1HG GLU 3 2HG GLU 3 12.750 -4.997 2.020 24 2HG GLU 3 1HG GLU 3 12.473 -3.456 1.207 25 H CYS 4 H CYS 4 9.403 -2.877 -1.145 26 HA CYS 4 HA CYS 4 8.960 -0.238 0.148 27 1HB CYS 4 2HB CYS 4 10.694 -0.788 -2.269 28 2HB CYS 4 1HB CYS 4 10.074 0.817 -1.886 29 H ASP 5 H ASP 5 6.713 -0.512 -0.129 30 HA ASP 5 HA ASP 5 5.361 -1.422 -2.416 31 1HB ASP 5 2HB ASP 5 4.506 -0.551 -0.048 32 2HB ASP 5 1HB ASP 5 4.250 0.941 -0.953 33 H CYS 6 H CYS 6 6.545 1.858 -1.689 34 HA CYS 6 HA CYS 6 6.259 2.470 -4.601 35 1HB CYS 6 2HB CYS 6 5.951 4.676 -2.602 36 2HB CYS 6 1HB CYS 6 5.247 4.521 -4.210 37 H SER 7 H SER 7 7.576 4.763 -4.878 38 HA SER 7 HA SER 7 10.162 4.408 -3.423 39 1HB SER 7 2HB SER 7 11.388 4.682 -5.420 40 2HB SER 7 1HB SER 7 10.061 3.625 -5.895 41 HG SER 7 HG SER 7 9.286 5.165 -7.107 42 H SER 8 H SER 8 7.616 6.378 -3.657 43 HA SER 8 HA SER 8 9.144 8.907 -3.895 44 1HB SER 8 2HB SER 8 6.316 9.117 -3.227 45 2HB SER 8 1HB SER 8 7.209 9.857 -4.548 46 HG SER 8 HG SER 8 6.377 8.378 -5.772 47 HA PRO 9 HA PRO 9 9.301 8.839 0.580 48 1HB PRO 9 2HB PRO 9 10.968 11.013 0.792 49 2HB PRO 9 1HB PRO 9 11.534 9.377 0.411 50 1HG PRO 9 2HG PRO 9 11.248 11.730 -1.397 51 2HG PRO 9 1HG PRO 9 12.336 10.339 -1.530 52 1HD PRO 9 2HD PRO 9 9.935 10.716 -2.987 53 2HD PRO 9 1HD PRO 9 10.863 9.205 -2.869 54 H GLU 10 H GLU 10 7.553 10.789 -1.371 55 HA GLU 10 HA GLU 10 6.780 12.594 0.889 56 1HB GLU 10 2HB GLU 10 7.655 13.278 -1.747 57 2HB GLU 10 1HB GLU 10 5.948 13.705 -1.609 58 1HG GLU 10 2HG GLU 10 6.811 15.609 -0.669 59 2HG GLU 10 1HG GLU 10 6.822 14.606 0.781 60 H ASN 11 H ASN 11 5.815 10.108 -1.174 61 HA ASN 11 HA ASN 11 3.067 10.790 -1.595 62 1HB ASN 11 2HB ASN 11 4.765 8.658 -2.267 63 2HB ASN 11 1HB ASN 11 3.490 7.936 -1.282 64 1HD2 ASN 11 1HD2 ASN 11 2.875 6.927 -3.483 65 2HD2 ASN 11 2HD2 ASN 11 1.867 7.835 -4.504 66 HA PRO 12 HA PRO 12 1.578 10.134 2.515 67 1HB PRO 12 2HB PRO 12 -1.098 10.116 1.896 68 2HB PRO 12 1HB PRO 12 -0.123 11.594 1.970 69 1HG PRO 12 2HG PRO 12 -1.151 10.142 -0.424 70 2HG PRO 12 1HG PRO 12 -0.740 11.856 -0.241 71 1HD PRO 12 2HD PRO 12 0.865 9.882 -1.496 72 2HD PRO 12 1HD PRO 12 1.385 11.516 -1.029 73 H CYS 13 H CYS 13 0.616 8.058 -0.166 74 HA CYS 13 HA CYS 13 -0.438 5.986 1.657 75 1HB CYS 13 2HB CYS 13 -0.743 6.656 -1.125 76 2HB CYS 13 1HB CYS 13 -0.201 4.984 -0.979 77 H CYS 14 H CYS 14 2.550 6.880 1.302 78 HA CYS 14 HA CYS 14 3.576 4.103 1.390 79 1HB CYS 14 2HB CYS 14 4.930 6.160 -0.363 80 2HB CYS 14 1HB CYS 14 5.235 4.424 -0.287 81 H ASP 15 H ASP 15 3.880 4.607 3.616 82 HA ASP 15 HA ASP 15 5.127 6.730 4.839 83 1HB ASP 15 2HB ASP 15 4.511 4.137 5.554 84 2HB ASP 15 1HB ASP 15 6.260 4.194 5.714 85 H ALA 16 H ALA 16 7.031 7.765 4.461 86 HA ALA 16 HA ALA 16 9.024 6.647 2.694 87 1HB ALA 16 1HB ALA 16 10.206 8.793 4.041 88 2HB ALA 16 2HB ALA 16 8.491 9.202 3.983 89 3HB ALA 16 3HB ALA 16 9.370 8.869 2.490 90 H ALA 17 H ALA 17 8.476 6.574 6.109 91 HA ALA 17 HA ALA 17 11.174 6.167 6.994 92 1HB ALA 17 1HB ALA 17 9.498 4.676 8.691 93 2HB ALA 17 2HB ALA 17 8.506 6.022 8.127 94 3HB ALA 17 3HB ALA 17 10.042 6.335 8.937 95 H THR 18 H THR 18 8.788 4.049 5.540 96 HA THR 18 HA THR 18 10.841 1.884 5.540 97 HB THR 18 HB THR 18 9.273 1.233 7.255 98 HG1 THR 18 HG1 THR 18 9.197 -0.671 6.414 99 1HG2 THR 18 1HG2 THR 18 7.459 2.752 5.760 100 2HG2 THR 18 2HG2 THR 18 7.107 1.846 7.233 101 3HG2 THR 18 3HG2 THR 18 6.852 1.100 5.655 102 H CYS 19 H CYS 19 9.812 3.926 3.572 103 HA CYS 19 HA CYS 19 8.927 4.031 1.380 104 1HB CYS 19 2HB CYS 19 10.211 2.624 -0.143 105 2HB CYS 19 1HB CYS 19 11.265 3.211 1.141 106 H LYS 20 H LYS 20 7.251 2.367 3.250 107 HA LYS 20 HA LYS 20 6.044 0.614 1.149 108 1HB LYS 20 2HB LYS 20 6.296 0.164 4.126 109 2HB LYS 20 1HB LYS 20 5.155 -0.735 3.125 110 1HG LYS 20 2HG LYS 20 6.794 -1.970 2.135 111 2HG LYS 20 1HG LYS 20 7.908 -0.605 2.058 112 1HD LYS 20 2HD LYS 20 8.940 -1.232 3.961 113 2HD LYS 20 1HD LYS 20 7.403 -1.411 4.808 114 1HE LYS 20 2HE LYS 20 8.047 -3.496 2.788 115 2HE LYS 20 1HE LYS 20 9.014 -3.507 4.264 116 1HZ LYS 20 1HZ LYS 20 6.047 -3.449 4.210 117 2HZ LYS 20 2HZ LYS 20 7.040 -3.628 5.578 118 3HZ LYS 20 3HZ LYS 20 6.969 -4.858 4.408 119 H LEU 21 H LEU 21 3.625 0.152 1.814 120 HA LEU 21 HA LEU 21 2.193 2.569 1.612 121 1HB LEU 21 2HB LEU 21 1.444 -0.222 2.407 122 2HB LEU 21 1HB LEU 21 0.260 1.073 2.586 123 HG LEU 21 HG LEU 21 1.773 0.621 0.010 124 1HD1 LEU 21 1HD1 LEU 21 -0.881 -0.233 -0.313 125 2HD1 LEU 21 2HD1 LEU 21 -0.348 -0.970 1.198 126 3HD1 LEU 21 3HD1 LEU 21 0.556 -1.256 -0.290 127 1HD2 LEU 21 1HD2 LEU 21 -0.849 1.684 -0.309 128 2HD2 LEU 21 2HD2 LEU 21 0.689 2.501 -0.587 129 3HD2 LEU 21 3HD2 LEU 21 -0.079 2.581 0.999 130 H ARG 22 H ARG 22 1.678 4.101 3.082 131 HA ARG 22 HA ARG 22 2.410 3.633 5.894 132 1HB ARG 22 2HB ARG 22 3.079 5.760 5.023 133 2HB ARG 22 1HB ARG 22 1.470 6.095 4.401 134 1HG ARG 22 2HG ARG 22 0.806 5.772 6.971 135 2HG ARG 22 1HG ARG 22 2.489 6.241 7.205 136 1HD ARG 22 2HD ARG 22 1.459 7.997 5.248 137 2HD ARG 22 1HD ARG 22 0.230 7.899 6.509 138 HE ARG 22 HE ARG 22 3.059 8.447 7.271 139 1HH1 ARG 22 1HH2 ARG 22 0.781 10.429 6.094 140 2HH1 ARG 22 2HH2 ARG 22 0.459 11.307 7.551 141 1HH2 ARG 22 1HH1 ARG 22 2.202 9.101 9.581 142 2HH2 ARG 22 2HH1 ARG 22 1.261 10.555 9.525 143 HA PRO 23 HA PRO 23 -2.287 4.293 6.363 144 1HB PRO 23 2HB PRO 23 -3.821 4.280 4.086 145 2HB PRO 23 1HB PRO 23 -3.115 5.753 4.775 146 1HG PRO 23 2HG PRO 23 -2.303 4.249 2.341 147 2HG PRO 23 1HG PRO 23 -2.036 5.952 2.748 148 1HD PRO 23 2HD PRO 23 -0.132 3.841 2.944 149 2HD PRO 23 1HD PRO 23 0.052 5.498 3.550 150 H GLY 24 H GLY 24 -4.431 2.861 5.479 151 1HA GLY 24 2HA GLY 24 -3.408 0.081 5.513 152 2HA GLY 24 1HA GLY 24 -5.078 0.570 5.811 153 H ALA 25 H ALA 25 -3.480 2.016 3.127 154 HA ALA 25 HA ALA 25 -5.406 1.067 1.248 155 1HB ALA 25 1HB ALA 25 -2.649 2.191 0.685 156 2HB ALA 25 2HB ALA 25 -4.086 3.168 0.989 157 3HB ALA 25 3HB ALA 25 -4.007 2.136 -0.439 158 H GLN 26 H GLN 26 -4.630 -0.083 -0.852 159 HA GLN 26 HA GLN 26 -3.120 -2.508 -0.016 160 1HB GLN 26 2HB GLN 26 -5.458 -2.037 -1.654 161 2HB GLN 26 1HB GLN 26 -4.246 -2.962 -2.539 162 1HG GLN 26 2HG GLN 26 -5.126 -4.747 -1.433 163 2HG GLN 26 1HG GLN 26 -4.156 -4.162 -0.083 164 1HE2 GLN 26 1HE2 GLN 26 -7.320 -4.977 -0.963 165 2HE2 GLN 26 2HE2 GLN 26 -8.145 -4.156 0.272 166 H CYS 27 H CYS 27 -2.712 0.349 -1.719 167 HA CYS 27 HA CYS 27 -0.127 -0.412 -2.694 168 1HB CYS 27 2HB CYS 27 -0.611 -0.103 -5.129 169 2HB CYS 27 1HB CYS 27 -1.377 -1.540 -4.450 170 H GLY 28 H GLY 28 1.040 1.442 -3.471 171 1HA GLY 28 2HA GLY 28 -0.384 4.010 -2.921 172 2HA GLY 28 1HA GLY 28 1.340 3.763 -2.673 173 H GLU 29 H GLU 29 0.747 2.157 -5.459 174 HA GLU 29 HA GLU 29 0.338 4.215 -7.386 175 1HB GLU 29 2HB GLU 29 2.591 4.720 -8.098 176 2HB GLU 29 1HB GLU 29 2.487 5.040 -6.367 177 1HG GLU 29 2HG GLU 29 4.399 3.774 -6.336 178 2HG GLU 29 1HG GLU 29 3.233 2.452 -6.279 179 H GLY 30 H GLY 30 -0.181 3.146 -9.220 180 1HA GLY 30 2HA GLY 30 1.337 1.070 -10.416 181 2HA GLY 30 1HA GLY 30 0.042 0.321 -9.483 182 H LEU 31 H LEU 31 0.112 0.082 -12.281 183 HA LEU 31 HA LEU 31 -1.455 2.086 -13.618 184 1HB LEU 31 2HB LEU 31 -0.226 -0.391 -14.296 185 2HB LEU 31 1HB LEU 31 -1.904 -0.442 -14.826 186 HG LEU 31 HG LEU 31 0.138 1.695 -15.491 187 1HD1 LEU 31 1HD1 LEU 31 0.088 0.851 -17.684 188 2HD1 LEU 31 2HD1 LEU 31 -1.433 -0.001 -17.422 189 3HD1 LEU 31 3HD1 LEU 31 0.055 -0.614 -16.703 190 1HD2 LEU 31 1HD2 LEU 31 -1.908 2.385 -17.018 191 2HD2 LEU 31 2HD2 LEU 31 -1.832 2.935 -15.343 192 3HD2 LEU 31 3HD2 LEU 31 -2.849 1.560 -15.775 193 H CYS 32 H CYS 32 -2.361 -1.132 -12.340 194 HA CYS 32 HA CYS 32 -5.211 -0.307 -12.514 195 1HB CYS 32 2HB CYS 32 -4.092 -3.032 -11.818 196 2HB CYS 32 1HB CYS 32 -5.749 -2.645 -12.282 197 H CYS 33 H CYS 33 -4.667 1.183 -10.605 198 HA CYS 33 HA CYS 33 -5.409 -0.255 -8.136 199 1HB CYS 33 2HB CYS 33 -2.737 0.701 -8.627 200 2HB CYS 33 1HB CYS 33 -3.457 1.631 -7.312 201 H GLU 34 H GLU 34 -7.229 0.813 -7.597 202 HA GLU 34 HA GLU 34 -7.929 3.429 -8.440 203 1HB GLU 34 2HB GLU 34 -9.244 1.403 -7.186 204 2HB GLU 34 1HB GLU 34 -9.051 2.551 -5.867 205 1HG GLU 34 2HG GLU 34 -9.839 4.285 -7.727 206 2HG GLU 34 1HG GLU 34 -10.584 2.839 -8.411 207 H GLN 35 H GLN 35 -8.670 4.934 -6.269 208 HA GLN 35 HA GLN 35 -6.269 6.248 -5.546 209 1HB GLN 35 2HB GLN 35 -7.628 7.481 -3.925 210 2HB GLN 35 1HB GLN 35 -8.527 7.288 -5.429 211 1HG GLN 35 2HG GLN 35 -9.102 4.993 -3.890 212 2HG GLN 35 1HG GLN 35 -9.213 6.359 -2.781 213 1HE2 GLN 35 1HE2 GLN 35 -11.561 6.322 -2.699 214 2HE2 GLN 35 2HE2 GLN 35 -12.508 6.766 -4.036 215 H CYS 36 H CYS 36 -4.795 4.693 -4.741 216 HA CYS 36 HA CYS 36 -3.707 3.500 -3.046 217 1HB CYS 36 2HB CYS 36 -5.773 5.027 -1.462 218 2HB CYS 36 1HB CYS 36 -4.680 3.888 -0.682 219 H LYS 37 H LYS 37 -5.586 2.106 -4.609 220 HA LYS 37 HA LYS 37 -6.251 -0.077 -2.758 221 1HB LYS 37 2HB LYS 37 -8.295 1.739 -3.904 222 2HB LYS 37 1HB LYS 37 -8.646 0.015 -4.037 223 1HG LYS 37 2HG LYS 37 -8.086 -0.167 -1.560 224 2HG LYS 37 1HG LYS 37 -8.086 1.596 -1.518 225 1HD LYS 37 2HD LYS 37 -10.357 1.741 -1.767 226 2HD LYS 37 1HD LYS 37 -10.438 0.318 -2.806 227 1HE LYS 37 2HE LYS 37 -9.691 -0.042 0.074 228 2HE LYS 37 1HE LYS 37 -11.384 0.222 -0.338 229 1HZ LYS 37 1HZ LYS 37 -9.779 -2.102 -0.707 230 2HZ LYS 37 2HZ LYS 37 -10.494 -1.609 -2.166 231 3HZ LYS 37 3HZ LYS 37 -11.463 -1.931 -0.808 232 H PHE 38 H PHE 38 -6.671 -2.075 -3.909 233 HA PHE 38 HA PHE 38 -5.330 -2.220 -6.488 234 1HB PHE 38 2HB PHE 38 -6.670 -4.182 -4.656 235 2HB PHE 38 1HB PHE 38 -6.361 -4.651 -6.324 236 HD1 PHE 38 HD1 PHE 38 -3.854 -3.493 -7.044 237 HD2 PHE 38 HD2 PHE 38 -5.054 -5.113 -3.254 238 HE1 PHE 38 HE1 PHE 38 -1.482 -3.965 -6.496 239 HE2 PHE 38 HE2 PHE 38 -2.682 -5.580 -2.702 240 HZ PHE 38 HZ PHE 38 -0.896 -5.008 -4.324 241 H SER 39 H SER 39 -6.308 -1.900 -8.449 242 HA SER 39 HA SER 39 -9.098 -1.365 -8.716 243 1HB SER 39 2HB SER 39 -7.250 -2.347 -10.878 244 2HB SER 39 1HB SER 39 -8.741 -1.449 -11.103 245 HG SER 39 HG SER 39 -7.472 0.067 -9.538 246 H ARG 40 H ARG 40 -10.262 -2.906 -10.580 247 HA ARG 40 HA ARG 40 -10.471 -5.488 -9.202 248 1HB ARG 40 2HB ARG 40 -12.432 -5.846 -10.694 249 2HB ARG 40 1HB ARG 40 -12.553 -4.336 -9.790 250 1HG ARG 40 2HG ARG 40 -12.144 -3.021 -11.662 251 2HG ARG 40 1HG ARG 40 -11.255 -4.299 -12.493 252 1HD ARG 40 2HD ARG 40 -13.147 -4.750 -13.633 253 2HD ARG 40 1HD ARG 40 -13.828 -5.347 -12.121 254 HE ARG 40 HE ARG 40 -14.886 -3.175 -11.798 255 1HH1 ARG 40 1HH2 ARG 40 -12.545 -2.528 -14.060 256 2HH1 ARG 40 2HH2 ARG 40 -13.572 -1.676 -15.165 257 1HH2 ARG 40 1HH1 ARG 40 -16.501 -2.535 -13.520 258 2HH2 ARG 40 2HH1 ARG 40 -15.811 -1.680 -14.859 259 H ALA 41 H ALA 41 -9.881 -7.456 -10.140 260 HA ALA 41 HA ALA 41 -7.788 -7.550 -12.004 261 1HB ALA 41 1HB ALA 41 -9.420 -9.447 -10.635 262 2HB ALA 41 2HB ALA 41 -7.874 -9.728 -11.435 263 3HB ALA 41 3HB ALA 41 -9.378 -9.914 -12.335 264 H GLY 42 H GLY 42 -8.200 -8.999 -14.173 265 1HA GLY 42 2HA GLY 42 -8.959 -8.849 -16.388 266 2HA GLY 42 1HA GLY 42 -10.549 -8.544 -15.690 267 H LYS 43 H LYS 43 -7.893 -6.448 -14.853 268 HA LYS 43 HA LYS 43 -9.315 -4.225 -16.166 269 1HB LYS 43 2HB LYS 43 -8.670 -3.619 -13.992 270 2HB LYS 43 1HB LYS 43 -7.106 -4.409 -14.137 271 1HG LYS 43 2HG LYS 43 -6.785 -1.994 -14.253 272 2HG LYS 43 1HG LYS 43 -6.442 -2.693 -15.831 273 1HD LYS 43 2HD LYS 43 -8.023 -1.395 -16.760 274 2HD LYS 43 1HD LYS 43 -9.240 -2.123 -15.710 275 1HE LYS 43 2HE LYS 43 -7.411 0.034 -14.672 276 2HE LYS 43 1HE LYS 43 -8.877 0.448 -15.563 277 1HZ LYS 43 1HZ LYS 43 -8.708 -0.139 -12.896 278 2HZ LYS 43 2HZ LYS 43 -9.356 -1.552 -13.585 279 3HZ LYS 43 3HZ LYS 43 -10.130 -0.058 -13.818 280 H ILE 44 H ILE 44 -8.665 -3.391 -18.104 281 HA ILE 44 HA ILE 44 -6.377 -4.576 -19.455 282 HB ILE 44 HB ILE 44 -8.292 -4.014 -20.786 283 1HG1 ILE 44 2HG1 ILE 44 -7.290 -2.246 -22.349 284 2HG1 ILE 44 1HG1 ILE 44 -5.950 -2.142 -21.207 285 1HG2 ILE 44 1HG2 ILE 44 -9.559 -2.362 -19.903 286 2HG2 ILE 44 2HG2 ILE 44 -8.542 -1.280 -20.855 287 3HG2 ILE 44 3HG2 ILE 44 -8.170 -1.573 -19.156 288 1HD1 ILE 44 1HD1 ILE 44 -6.827 -4.828 -22.231 289 2HD1 ILE 44 2HD1 ILE 44 -5.246 -4.332 -21.628 290 3HD1 ILE 44 3HD1 ILE 44 -5.785 -3.810 -23.225 291 H CYS 45 H CYS 45 -4.517 -3.998 -18.371 292 HA CYS 45 HA CYS 45 -3.922 -1.240 -17.613 293 1HB CYS 45 2HB CYS 45 -1.659 -2.233 -17.091 294 2HB CYS 45 1HB CYS 45 -3.001 -3.016 -16.267 295 H ARG 46 H ARG 46 -3.624 -3.136 -20.454 296 HA ARG 46 HA ARG 46 -2.614 -0.976 -22.021 297 1HB ARG 46 2HB ARG 46 -0.611 -2.311 -20.524 298 2HB ARG 46 1HB ARG 46 -0.424 -2.838 -22.196 299 1HG ARG 46 2HG ARG 46 0.106 -0.730 -22.951 300 2HG ARG 46 1HG ARG 46 -0.893 0.070 -21.736 301 1HD ARG 46 2HD ARG 46 0.748 -0.445 -19.999 302 2HD ARG 46 1HD ARG 46 1.730 -1.337 -21.160 303 HE ARG 46 HE ARG 46 1.269 1.397 -22.015 304 1HH1 ARG 46 1HH2 ARG 46 2.327 1.625 -19.197 305 2HH1 ARG 46 2HH2 ARG 46 4.038 1.661 -19.465 306 1HH2 ARG 46 1HH1 ARG 46 3.823 0.452 -22.708 307 2HH2 ARG 46 2HH1 ARG 46 4.885 0.997 -21.453 308 H ILE 47 H ILE 47 -2.588 -1.528 -24.240 309 HA ILE 47 HA ILE 47 -3.973 -4.039 -24.880 310 HB ILE 47 HB ILE 47 -4.655 -1.973 -26.016 311 1HG1 ILE 47 2HG1 ILE 47 -3.964 -2.829 -28.459 312 2HG1 ILE 47 1HG1 ILE 47 -3.458 -4.247 -27.539 313 1HG2 ILE 47 1HG2 ILE 47 -2.482 -0.813 -25.943 314 2HG2 ILE 47 2HG2 ILE 47 -3.096 -0.871 -27.594 315 3HG2 ILE 47 3HG2 ILE 47 -1.816 -1.975 -27.090 316 1HD1 ILE 47 1HD1 ILE 47 -5.971 -3.525 -26.492 317 2HD1 ILE 47 2HD1 ILE 47 -5.607 -4.914 -27.516 318 3HD1 ILE 47 3HD1 ILE 47 -6.133 -3.396 -28.243 319 H ALA 48 H ALA 48 -3.082 -5.734 -26.103 320 HA ALA 48 HA ALA 48 -0.312 -6.264 -25.816 321 1HB ALA 48 1HB ALA 48 -0.732 -8.251 -26.925 322 2HB ALA 48 2HB ALA 48 -1.831 -7.497 -28.080 323 3HB ALA 48 3HB ALA 48 -2.370 -7.823 -26.432 324 H LYS 49 H LYS 49 0.726 -7.030 -28.236 325 HA LYS 49 HA LYS 49 0.544 -4.710 -30.062 326 1HB LYS 49 2HB LYS 49 3.143 -5.612 -28.868 327 2HB LYS 49 1HB LYS 49 2.923 -4.276 -29.990 328 1HG LYS 49 2HG LYS 49 1.272 -3.366 -28.181 329 2HG LYS 49 1HG LYS 49 2.118 -4.470 -27.096 330 1HD LYS 49 2HD LYS 49 3.286 -2.168 -28.674 331 2HD LYS 49 1HD LYS 49 3.265 -2.378 -26.924 332 1HE LYS 49 2HE LYS 49 4.668 -4.466 -27.265 333 2HE LYS 49 1HE LYS 49 4.849 -3.975 -28.949 334 1HZ LYS 49 1HZ LYS 49 6.619 -3.243 -27.277 335 2HZ LYS 49 2HZ LYS 49 5.470 -2.108 -26.752 336 3HZ LYS 49 3HZ LYS 49 6.019 -2.084 -28.360 337 H GLY 50 H GLY 50 -0.335 -7.284 -30.648 338 1HA GLY 50 2HA GLY 50 1.079 -7.901 -33.032 339 2HA GLY 50 1HA GLY 50 1.605 -9.017 -31.784 340 H ASP 51 H ASP 51 0.163 -10.564 -31.013 341 HA ASP 51 HA ASP 51 -2.616 -10.586 -31.884 342 1HB ASP 51 2HB ASP 51 -0.586 -11.959 -33.384 343 2HB ASP 51 1HB ASP 51 -1.675 -13.132 -32.649 344 H TRP 52 H TRP 52 -3.146 -10.753 -29.674 345 HA TRP 52 HA TRP 52 -3.106 -13.382 -28.524 346 1HB TRP 52 2HB TRP 52 -1.663 -12.119 -26.484 347 2HB TRP 52 1HB TRP 52 -1.071 -13.396 -27.543 348 HD1 TRP 52 HD1 TRP 52 -1.636 -9.597 -28.103 349 HE1 TRP 52 HE1 TRP 52 0.497 -8.613 -29.144 350 HE3 TRP 52 HE3 TRP 52 1.284 -13.786 -28.264 351 HZ2 TRP 52 HZ2 TRP 52 3.101 -9.474 -29.934 352 HZ3 TRP 52 HZ3 TRP 52 3.586 -13.670 -29.178 353 HH2 TRP 52 HH2 TRP 52 4.488 -11.514 -30.021 354 H ASN 53 H ASN 53 -3.334 -12.743 -25.813 355 HA ASN 53 HA ASN 53 -5.916 -11.350 -25.827 356 1HB ASN 53 2HB ASN 53 -4.306 -12.624 -23.594 357 2HB ASN 53 1HB ASN 53 -5.916 -11.933 -23.388 358 1HD2 ASN 53 1HD2 ASN 53 -7.167 -12.807 -25.778 359 2HD2 ASN 53 2HD2 ASN 53 -7.252 -14.501 -25.772 360 H ASP 54 H ASP 54 -6.367 -9.509 -24.403 361 HA ASP 54 HA ASP 54 -4.305 -7.485 -24.545 362 1HB ASP 54 2HB ASP 54 -7.126 -7.619 -23.882 363 2HB ASP 54 1HB ASP 54 -6.254 -6.552 -22.782 364 H ASP 55 H ASP 55 -3.731 -6.191 -22.502 365 HA ASP 55 HA ASP 55 -2.668 -8.075 -20.524 366 1HB ASP 55 2HB ASP 55 -2.457 -5.079 -20.591 367 2HB ASP 55 1HB ASP 55 -1.460 -6.175 -19.645 368 H ARG 56 H ARG 56 -3.980 -8.714 -18.881 369 HA ARG 56 HA ARG 56 -5.945 -6.748 -17.792 370 1HB ARG 56 2HB ARG 56 -5.997 -9.697 -17.296 371 2HB ARG 56 1HB ARG 56 -7.317 -8.546 -17.166 372 1HG ARG 56 2HG ARG 56 -6.120 -8.648 -19.848 373 2HG ARG 56 1HG ARG 56 -6.852 -10.172 -19.345 374 1HD ARG 56 2HD ARG 56 -8.975 -9.229 -19.115 375 2HD ARG 56 1HD ARG 56 -8.337 -7.598 -18.914 376 HE ARG 56 HE ARG 56 -7.775 -7.676 -21.375 377 1HH1 ARG 56 1HH2 ARG 56 -9.019 -10.667 -20.716 378 2HH1 ARG 56 2HH2 ARG 56 -10.301 -10.611 -21.878 379 1HH2 ARG 56 1HH1 ARG 56 -9.878 -7.244 -22.582 380 2HH2 ARG 56 2HH1 ARG 56 -10.786 -8.676 -22.935 381 H CYS 57 H CYS 57 -5.888 -6.303 -15.566 382 HA CYS 57 HA CYS 57 -3.449 -7.208 -14.163 383 1HB CYS 57 2HB CYS 57 -5.551 -5.121 -13.541 384 2HB CYS 57 1HB CYS 57 -4.319 -5.590 -12.375 385 H THR 58 H THR 58 -3.617 -8.228 -12.067 386 HA THR 58 HA THR 58 -5.837 -10.107 -11.887 387 HB THR 58 HB THR 58 -4.563 -11.191 -10.251 388 HG1 THR 58 HG1 THR 58 -2.961 -9.964 -9.049 389 1HG2 THR 58 1HG2 THR 58 -2.633 -11.507 -11.395 390 2HG2 THR 58 2HG2 THR 58 -2.155 -9.819 -11.218 391 3HG2 THR 58 3HG2 THR 58 -3.257 -10.291 -12.511 392 H GLY 59 H GLY 59 -6.734 -10.388 -9.476 393 1HA GLY 59 2HA GLY 59 -8.221 -7.949 -8.919 394 2HA GLY 59 1HA GLY 59 -8.360 -9.467 -8.034 395 H GLN 60 H GLN 60 -5.183 -9.083 -7.979 396 HA GLN 60 HA GLN 60 -5.163 -7.155 -5.701 397 1HB GLN 60 2HB GLN 60 -3.725 -9.825 -5.716 398 2HB GLN 60 1HB GLN 60 -3.799 -8.669 -4.385 399 1HG GLN 60 2HG GLN 60 -6.043 -9.132 -3.929 400 2HG GLN 60 1HG GLN 60 -6.345 -9.759 -5.550 401 1HE2 GLN 60 1HE2 GLN 60 -5.098 -11.873 -6.075 402 2HE2 GLN 60 2HE2 GLN 60 -4.917 -12.993 -4.813 403 H SER 61 H SER 61 -4.314 -6.798 -8.462 404 HA SER 61 HA SER 61 -1.358 -6.564 -8.055 405 1HB SER 61 2HB SER 61 -1.827 -8.053 -9.910 406 2HB SER 61 1HB SER 61 -2.965 -6.903 -10.605 407 HG SER 61 HG SER 61 -1.198 -5.458 -10.853 408 H ALA 62 H ALA 62 -0.399 -4.554 -8.588 409 HA ALA 62 HA ALA 62 -2.358 -2.327 -8.990 410 1HB ALA 62 1HB ALA 62 0.329 -2.354 -7.584 411 2HB ALA 62 2HB ALA 62 -1.253 -2.153 -6.832 412 3HB ALA 62 3HB ALA 62 -0.615 -0.895 -7.888 413 H ASP 63 H ASP 63 0.675 -3.756 -10.040 414 HA ASP 63 HA ASP 63 0.972 -1.609 -12.082 415 1HB ASP 63 2HB ASP 63 2.997 -3.748 -11.864 416 2HB ASP 63 1HB ASP 63 3.217 -2.021 -12.110 417 H CYS 64 H CYS 64 2.050 -2.727 -14.201 418 HA CYS 64 HA CYS 64 0.370 -5.102 -14.870 419 1HB CYS 64 2HB CYS 64 -0.712 -3.169 -15.845 420 2HB CYS 64 1HB CYS 64 0.804 -2.627 -16.559 421 HA PRO 65 HA PRO 65 4.467 -6.363 -16.036 422 1HB PRO 65 2HB PRO 65 3.819 -9.021 -15.929 423 2HB PRO 65 1HB PRO 65 4.266 -8.075 -14.509 424 1HG PRO 65 2HG PRO 65 1.615 -9.122 -15.325 425 2HG PRO 65 1HG PRO 65 2.176 -8.627 -13.720 426 1HD PRO 65 2HD PRO 65 0.522 -7.127 -15.498 427 2HD PRO 65 1HD PRO 65 1.221 -6.567 -13.967 428 H ARG 66 H ARG 66 4.664 -8.753 -17.563 429 HA ARG 66 HA ARG 66 3.010 -8.241 -19.960 430 1HB ARG 66 2HB ARG 66 6.018 -8.322 -19.791 431 2HB ARG 66 1HB ARG 66 5.178 -8.700 -21.294 432 1HG ARG 66 2HG ARG 66 3.910 -6.393 -20.534 433 2HG ARG 66 1HG ARG 66 5.551 -6.099 -19.956 434 1HD ARG 66 2HD ARG 66 6.105 -5.549 -22.069 435 2HD ARG 66 1HD ARG 66 5.878 -7.245 -22.496 436 HE ARG 66 HE ARG 66 3.533 -5.406 -22.546 437 1HH1 ARG 66 1HH2 ARG 66 6.061 -6.835 -24.332 438 2HH1 ARG 66 2HH2 ARG 66 5.072 -7.246 -25.694 439 1HH2 ARG 66 1HH1 ARG 66 2.118 -6.221 -24.192 440 2HH2 ARG 66 2HH1 ARG 66 2.839 -6.900 -25.613 441 H TYR 67 H TYR 67 4.065 -10.171 -21.623 442 HA TYR 67 HA TYR 67 4.539 -12.668 -20.257 443 1HB TYR 67 2HB TYR 67 2.097 -13.173 -21.680 444 2HB TYR 67 1HB TYR 67 2.462 -13.480 -19.987 445 HD1 TYR 67 HD1 TYR 67 1.728 -10.562 -22.240 446 HD2 TYR 67 HD2 TYR 67 1.154 -12.395 -18.398 447 HE1 TYR 67 HE1 TYR 67 0.228 -8.701 -21.577 448 HE2 TYR 67 HE2 TYR 67 -0.347 -10.536 -17.735 449 HH TYR 67 HH TYR 67 -1.388 -8.689 -18.400 450 H HIS 68 HN HIS 68 3.505 -11.007 -23.198 451 HA HIS 68 HA HIS 68 5.264 -12.863 -24.727 452 1HB HIS 68 2HB HIS 68 2.351 -12.384 -25.104 453 2HB HIS 68 1HB HIS 68 3.336 -12.441 -26.566 454 HD1 HIS 68 HD1 HIS 68 1.451 -14.625 -24.522 455 HD2 HIS 68 HD2 HIS 68 5.214 -14.916 -26.297 456 HE1 HIS 68 HE1 HIS 68 2.011 -17.093 -24.618 Start of MODEL 19 1 1H GLY 1 1HT GLY 1 19.705 -0.481 1.022 2 2H GLY 1 2HT GLY 1 20.743 0.761 0.505 3 3H GLY 1 3HT GLY 1 19.816 -0.103 -0.628 4 1HA GLY 1 1HA GLY 1 18.649 1.573 1.522 5 2HA GLY 1 2HA GLY 1 18.933 2.145 -0.123 6 H LYS 2 H LYS 2 17.057 2.099 -1.261 7 HA LYS 2 HA LYS 2 15.014 1.333 -2.120 8 1HB LYS 2 2HB LYS 2 16.345 -1.253 -1.301 9 2HB LYS 2 1HB LYS 2 14.738 -1.229 -2.029 10 1HG LYS 2 2HG LYS 2 16.063 -1.439 -3.927 11 2HG LYS 2 1HG LYS 2 15.918 0.317 -3.822 12 1HD LYS 2 2HD LYS 2 18.075 -0.209 -2.177 13 2HD LYS 2 1HD LYS 2 18.287 -1.383 -3.476 14 1HE LYS 2 2HE LYS 2 17.618 0.826 -4.917 15 2HE LYS 2 1HE LYS 2 18.456 1.573 -3.557 16 1HZ LYS 2 1HZ LYS 2 19.523 0.058 -5.720 17 2HZ LYS 2 2HZ LYS 2 19.992 -0.591 -4.221 18 3HZ LYS 2 3HZ LYS 2 20.327 1.034 -4.591 19 H GLU 3 H GLU 3 14.118 2.541 -0.196 20 HA GLU 3 HA GLU 3 12.398 0.724 1.358 21 1HB GLU 3 2HB GLU 3 13.036 1.872 3.515 22 2HB GLU 3 1HB GLU 3 14.309 0.852 2.841 23 1HG GLU 3 2HG GLU 3 15.644 2.670 3.010 24 2HG GLU 3 1HG GLU 3 14.759 3.298 1.619 25 H CYS 4 H CYS 4 11.889 2.642 -0.699 26 HA CYS 4 HA CYS 4 10.078 4.444 0.797 27 1HB CYS 4 2HB CYS 4 12.238 5.631 0.076 28 2HB CYS 4 1HB CYS 4 11.604 5.469 -1.543 29 H ASP 5 H ASP 5 8.338 3.242 0.212 30 HA ASP 5 HA ASP 5 7.821 2.129 -2.339 31 1HB ASP 5 2HB ASP 5 6.652 1.629 -0.128 32 2HB ASP 5 1HB ASP 5 5.692 3.080 -0.418 33 H CYS 6 H CYS 6 7.401 5.434 -1.205 34 HA CYS 6 HA CYS 6 6.315 6.063 -3.919 35 1HB CYS 6 2HB CYS 6 4.658 7.533 -3.052 36 2HB CYS 6 1HB CYS 6 4.521 6.057 -2.100 37 H SER 7 H SER 7 6.554 8.462 -4.420 38 HA SER 7 HA SER 7 9.060 9.496 -3.151 39 1HB SER 7 2HB SER 7 9.924 9.972 -5.209 40 2HB SER 7 1HB SER 7 8.787 8.746 -5.761 41 HG SER 7 HG SER 7 7.476 10.276 -6.501 42 H SER 8 H SER 8 5.925 9.979 -2.927 43 HA SER 8 HA SER 8 6.207 12.953 -2.879 44 1HB SER 8 2HB SER 8 3.505 12.540 -3.196 45 2HB SER 8 1HB SER 8 4.616 12.957 -4.496 46 HG SER 8 HG SER 8 4.844 10.778 -4.953 47 HA PRO 9 HA PRO 9 5.008 12.269 1.340 48 1HB PRO 9 2HB PRO 9 4.892 14.925 2.043 49 2HB PRO 9 1HB PRO 9 6.408 14.021 1.879 50 1HG PRO 9 2HG PRO 9 5.229 16.057 0.046 51 2HG PRO 9 1HG PRO 9 6.926 15.606 0.279 52 1HD PRO 9 2HD PRO 9 5.270 14.783 -1.866 53 2HD PRO 9 1HD PRO 9 6.853 14.095 -1.441 54 H GLU 10 H GLU 10 3.204 14.130 -0.989 55 HA GLU 10 HA GLU 10 0.888 14.514 0.782 56 1HB GLU 10 2HB GLU 10 1.693 15.356 -1.934 57 2HB GLU 10 1HB GLU 10 -0.029 15.021 -1.751 58 1HG GLU 10 2HG GLU 10 0.061 17.260 -1.114 59 2HG GLU 10 1HG GLU 10 0.227 16.455 0.446 60 H ASN 11 H ASN 11 2.113 12.098 -1.324 61 HA ASN 11 HA ASN 11 -0.280 10.882 -2.244 62 1HB ASN 11 2HB ASN 11 2.229 10.371 -2.790 63 2HB ASN 11 1HB ASN 11 2.113 9.256 -1.429 64 1HD2 ASN 11 1HD2 ASN 11 2.554 7.979 -3.773 65 2HD2 ASN 11 2HD2 ASN 11 1.139 7.275 -4.392 66 HA PRO 12 HA PRO 12 -1.647 9.592 1.842 67 1HB PRO 12 2HB PRO 12 -4.173 8.889 1.013 68 2HB PRO 12 1HB PRO 12 -3.688 10.556 1.373 69 1HG PRO 12 2HG PRO 12 -4.137 9.260 -1.276 70 2HG PRO 12 1HG PRO 12 -4.286 10.966 -0.822 71 1HD PRO 12 2HD PRO 12 -2.110 9.808 -2.210 72 2HD PRO 12 1HD PRO 12 -2.126 11.414 -1.451 73 H CYS 13 H CYS 13 -0.825 7.816 -0.827 74 HA CYS 13 HA CYS 13 -1.818 5.242 0.317 75 1HB CYS 13 2HB CYS 13 -0.471 5.540 -2.362 76 2HB CYS 13 1HB CYS 13 -1.587 4.285 -1.830 77 H CYS 14 H CYS 14 0.510 6.867 1.306 78 HA CYS 14 HA CYS 14 2.351 4.631 1.556 79 1HB CYS 14 2HB CYS 14 4.208 5.450 0.361 80 2HB CYS 14 1HB CYS 14 2.852 5.710 -0.731 81 H ASP 15 H ASP 15 4.606 6.404 2.102 82 HA ASP 15 HA ASP 15 3.669 8.128 4.303 83 1HB ASP 15 2HB ASP 15 4.039 5.666 5.077 84 2HB ASP 15 1HB ASP 15 5.743 6.078 4.930 85 H ALA 16 H ALA 16 4.839 9.970 4.112 86 HA ALA 16 HA ALA 16 7.313 9.990 2.572 87 1HB ALA 16 1HB ALA 16 5.319 11.885 3.274 88 2HB ALA 16 2HB ALA 16 6.706 12.125 2.212 89 3HB ALA 16 3HB ALA 16 6.844 12.471 3.936 90 H ALA 17 H ALA 17 6.484 9.513 5.834 91 HA ALA 17 HA ALA 17 9.053 10.579 6.855 92 1HB ALA 17 1HB ALA 17 7.846 9.258 8.958 93 2HB ALA 17 2HB ALA 17 6.463 9.813 8.015 94 3HB ALA 17 3HB ALA 17 7.654 10.974 8.599 95 H THR 18 H THR 18 7.323 7.478 6.584 96 HA THR 18 HA THR 18 9.820 6.054 7.309 97 HB THR 18 HB THR 18 7.018 5.550 7.653 98 HG1 THR 18 HG1 THR 18 8.595 5.246 9.214 99 1HG2 THR 18 1HG2 THR 18 6.779 3.287 6.882 100 2HG2 THR 18 2HG2 THR 18 8.463 3.227 6.361 101 3HG2 THR 18 3HG2 THR 18 7.309 4.244 5.498 102 H CYS 19 H CYS 19 8.246 7.205 4.570 103 HA CYS 19 HA CYS 19 8.490 6.757 2.286 104 1HB CYS 19 2HB CYS 19 11.051 6.309 3.545 105 2HB CYS 19 1HB CYS 19 10.864 5.306 2.130 106 H LYS 20 H LYS 20 6.645 5.232 2.662 107 HA LYS 20 HA LYS 20 7.013 2.779 1.298 108 1HB LYS 20 2HB LYS 20 7.303 2.628 4.256 109 2HB LYS 20 1HB LYS 20 6.324 1.388 3.468 110 1HG LYS 20 2HG LYS 20 8.559 1.608 1.821 111 2HG LYS 20 1HG LYS 20 9.221 1.725 3.451 112 1HD LYS 20 2HD LYS 20 7.867 -0.325 4.050 113 2HD LYS 20 1HD LYS 20 7.477 -0.485 2.337 114 1HE LYS 20 2HE LYS 20 10.160 -0.204 2.160 115 2HE LYS 20 1HE LYS 20 10.049 -0.969 3.746 116 1HZ LYS 20 1HZ LYS 20 8.432 -2.554 2.519 117 2HZ LYS 20 2HZ LYS 20 10.110 -2.770 2.351 118 3HZ LYS 20 3HZ LYS 20 9.221 -2.004 1.121 119 H LEU 21 H LEU 21 5.038 1.440 1.326 120 HA LEU 21 HA LEU 21 2.717 2.895 0.851 121 1HB LEU 21 2HB LEU 21 3.357 0.234 0.786 122 2HB LEU 21 1HB LEU 21 2.220 0.293 2.131 123 HG LEU 21 HG LEU 21 1.078 -0.092 -0.033 124 1HD1 LEU 21 1HD1 LEU 21 -0.701 1.134 0.626 125 2HD1 LEU 21 2HD1 LEU 21 0.215 2.637 0.623 126 3HD1 LEU 21 3HD1 LEU 21 0.331 1.538 1.995 127 1HD2 LEU 21 1HD2 LEU 21 1.848 1.009 -1.828 128 2HD2 LEU 21 2HD2 LEU 21 2.785 2.107 -0.816 129 3HD2 LEU 21 3HD2 LEU 21 1.094 2.453 -1.163 130 H ARG 22 H ARG 22 0.959 3.547 2.063 131 HA ARG 22 HA ARG 22 1.365 3.760 4.958 132 1HB ARG 22 2HB ARG 22 -0.899 4.812 4.921 133 2HB ARG 22 1HB ARG 22 0.179 5.569 3.748 134 1HG ARG 22 2HG ARG 22 -1.484 5.183 2.253 135 2HG ARG 22 1HG ARG 22 -0.918 3.512 2.281 136 1HD ARG 22 2HD ARG 22 -3.196 3.265 2.759 137 2HD ARG 22 1HD ARG 22 -2.477 3.287 4.369 138 HE ARG 22 HE ARG 22 -3.596 5.783 3.167 139 1HH1 ARG 22 1HH1 ARG 22 -5.530 3.913 4.568 140 2HH1 ARG 22 2HH1 ARG 22 -5.543 4.570 6.170 141 1HH2 ARG 22 1HH2 ARG 22 -2.652 6.430 5.716 142 2HH2 ARG 22 2HH2 ARG 22 -3.914 5.996 6.819 143 HA PRO 23 HA PRO 23 -0.166 -0.428 5.158 144 1HB PRO 23 2HB PRO 23 -0.113 -0.566 7.933 145 2HB PRO 23 1HB PRO 23 1.280 -0.874 6.879 146 1HG PRO 23 2HG PRO 23 0.611 1.605 8.447 147 2HG PRO 23 1HG PRO 23 2.198 0.889 8.103 148 1HD PRO 23 2HD PRO 23 1.234 3.071 6.723 149 2HD PRO 23 1HD PRO 23 2.349 1.895 6.005 150 H GLY 24 H GLY 24 -2.170 0.223 4.345 151 1HA GLY 24 2HA GLY 24 -4.437 -0.188 5.991 152 2HA GLY 24 1HA GLY 24 -4.252 1.553 5.742 153 H ALA 25 H ALA 25 -3.010 1.259 3.117 154 HA ALA 25 HA ALA 25 -5.444 0.791 1.527 155 1HB ALA 25 1HB ALA 25 -4.303 2.842 1.021 156 2HB ALA 25 2HB ALA 25 -3.982 1.744 -0.322 157 3HB ALA 25 3HB ALA 25 -2.749 2.017 0.910 158 H GLN 26 H GLN 26 -4.706 -0.192 -0.803 159 HA GLN 26 HA GLN 26 -3.463 -2.798 -0.114 160 1HB GLN 26 2HB GLN 26 -4.764 -2.209 -2.732 161 2HB GLN 26 1HB GLN 26 -4.638 -3.742 -1.882 162 1HG GLN 26 2HG GLN 26 -6.025 -2.182 -0.082 163 2HG GLN 26 1HG GLN 26 -6.659 -1.632 -1.631 164 1HE2 GLN 26 1HE2 GLN 26 -8.352 -2.878 -2.434 165 2HE2 GLN 26 2HE2 GLN 26 -8.643 -4.501 -2.034 166 H CYS 27 H CYS 27 -2.529 0.129 -1.351 167 HA CYS 27 HA CYS 27 0.015 -0.784 -2.202 168 1HB CYS 27 2HB CYS 27 -0.183 -0.384 -4.639 169 2HB CYS 27 1HB CYS 27 -1.141 -1.764 -4.101 170 H GLY 28 H GLY 28 0.899 1.102 -3.901 171 1HA GLY 28 2HA GLY 28 -0.059 3.697 -2.778 172 2HA GLY 28 1HA GLY 28 1.659 3.322 -2.824 173 H GLU 29 H GLU 29 1.179 1.922 -5.515 174 HA GLU 29 HA GLU 29 0.211 3.883 -7.357 175 1HB GLU 29 2HB GLU 29 2.374 4.732 -8.206 176 2HB GLU 29 1HB GLU 29 2.113 5.193 -6.523 177 1HG GLU 29 2HG GLU 29 4.280 4.391 -6.381 178 2HG GLU 29 1HG GLU 29 3.382 2.909 -6.055 179 H GLY 30 H GLY 30 -0.011 2.909 -9.323 180 1HA GLY 30 2HA GLY 30 1.814 1.088 -10.511 181 2HA GLY 30 1HA GLY 30 0.575 0.150 -9.676 182 H LEU 31 H LEU 31 0.530 -0.242 -12.311 183 HA LEU 31 HA LEU 31 -1.018 1.721 -13.774 184 1HB LEU 31 2HB LEU 31 0.266 -0.788 -14.330 185 2HB LEU 31 1HB LEU 31 -1.357 -0.780 -15.007 186 HG LEU 31 HG LEU 31 0.828 1.265 -15.474 187 1HD1 LEU 31 1HD1 LEU 31 0.253 -1.140 -16.755 188 2HD1 LEU 31 2HD1 LEU 31 1.195 0.191 -17.428 189 3HD1 LEU 31 3HD1 LEU 31 -0.533 0.071 -17.767 190 1HD2 LEU 31 1HD2 LEU 31 -0.929 2.707 -15.640 191 2HD2 LEU 31 2HD2 LEU 31 -2.112 1.403 -15.735 192 3HD2 LEU 31 3HD2 LEU 31 -1.226 1.898 -17.178 193 H CYS 32 H CYS 32 -1.768 -1.168 -11.905 194 HA CYS 32 HA CYS 32 -4.666 -0.623 -12.393 195 1HB CYS 32 2HB CYS 32 -3.614 -3.269 -11.423 196 2HB CYS 32 1HB CYS 32 -5.116 -2.922 -12.281 197 H CYS 33 H CYS 33 -3.757 0.959 -10.482 198 HA CYS 33 HA CYS 33 -4.816 -0.300 -8.016 199 1HB CYS 33 2HB CYS 33 -2.035 0.196 -8.422 200 2HB CYS 33 1HB CYS 33 -2.618 1.359 -7.229 201 H GLU 34 H GLU 34 -6.586 1.020 -7.868 202 HA GLU 34 HA GLU 34 -6.706 3.759 -8.609 203 1HB GLU 34 2HB GLU 34 -8.558 1.975 -7.895 204 2HB GLU 34 1HB GLU 34 -8.381 2.806 -6.356 205 1HG GLU 34 2HG GLU 34 -9.720 4.433 -7.145 206 2HG GLU 34 1HG GLU 34 -8.450 4.839 -8.299 207 H GLN 35 H GLN 35 -7.671 5.142 -6.362 208 HA GLN 35 HA GLN 35 -5.284 6.122 -5.201 209 1HB GLN 35 2HB GLN 35 -8.033 6.210 -3.926 210 2HB GLN 35 1HB GLN 35 -6.703 7.339 -3.664 211 1HG GLN 35 2HG GLN 35 -7.225 8.526 -5.511 212 2HG GLN 35 1HG GLN 35 -7.367 7.068 -6.493 213 1HE2 GLN 35 1HE2 GLN 35 -9.224 9.351 -6.574 214 2HE2 GLN 35 2HE2 GLN 35 -10.743 8.763 -6.096 215 H CYS 36 H CYS 36 -4.029 4.416 -4.402 216 HA CYS 36 HA CYS 36 -3.360 2.722 -2.924 217 1HB CYS 36 2HB CYS 36 -4.919 3.474 -0.621 218 2HB CYS 36 1HB CYS 36 -3.187 3.634 -0.881 219 H LYS 37 H LYS 37 -5.138 1.647 -4.492 220 HA LYS 37 HA LYS 37 -6.607 -0.209 -2.777 221 1HB LYS 37 2HB LYS 37 -8.029 1.991 -3.387 222 2HB LYS 37 1HB LYS 37 -8.333 1.055 -4.850 223 1HG LYS 37 2HG LYS 37 -9.800 -0.247 -3.752 224 2HG LYS 37 1HG LYS 37 -8.570 -0.672 -2.561 225 1HD LYS 37 2HD LYS 37 -9.793 2.039 -2.340 226 2HD LYS 37 1HD LYS 37 -10.799 0.663 -1.884 227 1HE LYS 37 2HE LYS 37 -8.176 0.272 -0.793 228 2HE LYS 37 1HE LYS 37 -8.728 1.892 -0.362 229 1HZ LYS 37 1HZ LYS 37 -10.600 -0.351 -0.098 230 2HZ LYS 37 2HZ LYS 37 -10.497 1.085 0.804 231 3HZ LYS 37 3HZ LYS 37 -9.386 -0.171 1.073 232 H PHE 38 H PHE 38 -6.343 -2.184 -3.746 233 HA PHE 38 HA PHE 38 -5.115 -2.544 -6.272 234 1HB PHE 38 2HB PHE 38 -6.799 -4.347 -4.541 235 2HB PHE 38 1HB PHE 38 -6.235 -4.892 -6.118 236 HD1 PHE 38 HD1 PHE 38 -3.552 -3.467 -6.172 237 HD2 PHE 38 HD2 PHE 38 -5.525 -5.722 -3.092 238 HE1 PHE 38 HE1 PHE 38 -1.356 -4.035 -5.179 239 HE2 PHE 38 HE2 PHE 38 -3.327 -6.289 -2.101 240 HZ PHE 38 HZ PHE 38 -1.241 -5.446 -3.144 241 H SER 39 H SER 39 -5.947 -1.967 -8.226 242 HA SER 39 HA SER 39 -8.634 -1.289 -8.737 243 1HB SER 39 2HB SER 39 -6.560 -2.355 -10.637 244 2HB SER 39 1HB SER 39 -8.073 -1.620 -11.139 245 HG SER 39 HG SER 39 -7.413 0.297 -10.249 246 H ARG 40 H ARG 40 -10.039 -2.604 -10.397 247 HA ARG 40 HA ARG 40 -10.462 -5.235 -9.215 248 1HB ARG 40 2HB ARG 40 -12.093 -3.332 -10.473 249 2HB ARG 40 1HB ARG 40 -12.067 -4.722 -11.557 250 1HG ARG 40 2HG ARG 40 -13.062 -6.127 -10.018 251 2HG ARG 40 1HG ARG 40 -12.416 -5.239 -8.637 252 1HD ARG 40 2HD ARG 40 -14.612 -4.241 -10.477 253 2HD ARG 40 1HD ARG 40 -14.865 -4.916 -8.868 254 HE ARG 40 HE ARG 40 -13.004 -2.786 -8.626 255 1HH1 ARG 40 1HH1 ARG 40 -16.294 -3.394 -9.488 256 2HH1 ARG 40 2HH1 ARG 40 -16.856 -1.850 -8.941 257 1HH2 ARG 40 1HH2 ARG 40 -13.730 -0.774 -7.905 258 2HH2 ARG 40 2HH2 ARG 40 -15.408 -0.370 -8.046 259 H ALA 41 H ALA 41 -10.239 -7.226 -10.315 260 HA ALA 41 HA ALA 41 -8.096 -7.516 -12.118 261 1HB ALA 41 1HB ALA 41 -9.861 -9.621 -12.713 262 2HB ALA 41 2HB ALA 41 -10.183 -9.215 -11.027 263 3HB ALA 41 3HB ALA 41 -8.550 -9.649 -11.533 264 H GLY 42 H GLY 42 -8.796 -8.838 -14.375 265 1HA GLY 42 2HA GLY 42 -9.396 -8.342 -16.598 266 2HA GLY 42 1HA GLY 42 -10.956 -7.905 -15.901 267 H LYS 43 H LYS 43 -8.099 -6.217 -14.829 268 HA LYS 43 HA LYS 43 -9.224 -3.725 -15.891 269 1HB LYS 43 2HB LYS 43 -8.374 -3.473 -13.705 270 2HB LYS 43 1HB LYS 43 -6.909 -4.375 -14.080 271 1HG LYS 43 2HG LYS 43 -6.372 -1.996 -13.972 272 2HG LYS 43 1HG LYS 43 -6.230 -2.542 -15.640 273 1HD LYS 43 2HD LYS 43 -7.453 -0.513 -15.780 274 2HD LYS 43 1HD LYS 43 -8.671 -1.782 -15.922 275 1HE LYS 43 2HE LYS 43 -9.742 -0.873 -14.165 276 2HE LYS 43 1HE LYS 43 -8.366 -1.318 -13.155 277 1HZ LYS 43 1HZ LYS 43 -8.768 1.224 -14.628 278 2HZ LYS 43 2HZ LYS 43 -7.301 0.790 -13.888 279 3HZ LYS 43 3HZ LYS 43 -8.699 1.010 -12.947 280 H ILE 44 H ILE 44 -8.611 -2.840 -17.810 281 HA ILE 44 HA ILE 44 -6.543 -4.138 -19.394 282 HB ILE 44 HB ILE 44 -8.421 -3.313 -20.598 283 1HG1 ILE 44 2HG1 ILE 44 -7.407 -1.474 -22.032 284 2HG1 ILE 44 1HG1 ILE 44 -6.036 -1.470 -20.925 285 1HG2 ILE 44 1HG2 ILE 44 -7.992 -0.914 -18.869 286 2HG2 ILE 44 2HG2 ILE 44 -9.487 -1.762 -19.261 287 3HG2 ILE 44 3HG2 ILE 44 -8.747 -0.685 -20.446 288 1HD1 ILE 44 1HD1 ILE 44 -5.647 -2.925 -22.911 289 2HD1 ILE 44 2HD1 ILE 44 -7.031 -3.907 -22.430 290 3HD1 ILE 44 3HD1 ILE 44 -5.604 -3.829 -21.397 291 H CYS 45 H CYS 45 -4.587 -3.817 -18.323 292 HA CYS 45 HA CYS 45 -3.690 -1.168 -17.473 293 1HB CYS 45 2HB CYS 45 -1.536 -2.387 -17.062 294 2HB CYS 45 1HB CYS 45 -2.923 -3.105 -16.255 295 H ARG 46 H ARG 46 -3.700 -2.918 -20.433 296 HA ARG 46 HA ARG 46 -2.442 -0.766 -21.863 297 1HB ARG 46 2HB ARG 46 -0.689 -2.823 -20.751 298 2HB ARG 46 1HB ARG 46 -0.546 -2.699 -22.505 299 1HG ARG 46 2HG ARG 46 0.205 -0.505 -22.429 300 2HG ARG 46 1HG ARG 46 -0.588 -0.177 -20.889 301 1HD ARG 46 2HD ARG 46 1.737 -0.311 -20.381 302 2HD ARG 46 1HD ARG 46 1.056 -1.852 -19.858 303 HE ARG 46 HE ARG 46 1.995 -2.862 -21.919 304 1HH1 ARG 46 1HH2 ARG 46 2.386 -0.420 -23.562 305 2HH1 ARG 46 2HH2 ARG 46 4.086 -0.127 -23.405 306 1HH2 ARG 46 1HH1 ARG 46 4.453 -2.174 -20.631 307 2HH2 ARG 46 2HH1 ARG 46 5.256 -1.121 -21.746 308 H ILE 47 H ILE 47 -2.118 -1.361 -24.197 309 HA ILE 47 HA ILE 47 -4.097 -3.449 -24.964 310 HB ILE 47 HB ILE 47 -4.570 -1.285 -25.928 311 1HG1 ILE 47 2HG1 ILE 47 -4.169 -1.805 -28.401 312 2HG1 ILE 47 1HG1 ILE 47 -3.294 -3.237 -27.859 313 1HG2 ILE 47 1HG2 ILE 47 -2.848 0.148 -26.172 314 2HG2 ILE 47 2HG2 ILE 47 -2.403 -0.742 -27.629 315 3HG2 ILE 47 3HG2 ILE 47 -1.674 -1.164 -26.080 316 1HD1 ILE 47 1HD1 ILE 47 -5.205 -4.338 -27.379 317 2HD1 ILE 47 2HD1 ILE 47 -6.042 -3.066 -28.267 318 3HD1 ILE 47 3HD1 ILE 47 -5.872 -2.952 -26.515 319 H ALA 48 H ALA 48 -3.498 -5.127 -26.383 320 HA ALA 48 HA ALA 48 -0.857 -6.123 -26.213 321 1HB ALA 48 1HB ALA 48 -2.780 -6.731 -28.468 322 2HB ALA 48 2HB ALA 48 -2.968 -7.400 -26.847 323 3HB ALA 48 3HB ALA 48 -1.535 -7.784 -27.798 324 H LYS 49 H LYS 49 -0.350 -6.793 -29.003 325 HA LYS 49 HA LYS 49 0.734 -4.162 -29.885 326 1HB LYS 49 2HB LYS 49 1.614 -6.887 -30.788 327 2HB LYS 49 1HB LYS 49 2.461 -5.366 -31.021 328 1HG LYS 49 2HG LYS 49 2.124 -5.449 -28.281 329 2HG LYS 49 1HG LYS 49 2.418 -7.142 -28.682 330 1HD LYS 49 2HD LYS 49 4.599 -6.365 -28.441 331 2HD LYS 49 1HD LYS 49 4.351 -6.139 -30.173 332 1HE LYS 49 2HE LYS 49 5.316 -4.106 -29.232 333 2HE LYS 49 1HE LYS 49 3.654 -3.784 -29.727 334 1HZ LYS 49 1HZ LYS 49 4.799 -3.557 -27.168 335 2HZ LYS 49 2HZ LYS 49 3.573 -4.732 -27.115 336 3HZ LYS 49 3HZ LYS 49 3.226 -3.162 -27.662 337 H GLY 50 H GLY 50 -1.970 -5.685 -30.425 338 1HA GLY 50 2HA GLY 50 -2.332 -4.654 -33.075 339 2HA GLY 50 1HA GLY 50 -2.149 -6.405 -33.130 340 H ASP 51 H ASP 51 -3.782 -7.708 -32.146 341 HA ASP 51 HA ASP 51 -6.051 -6.467 -30.818 342 1HB ASP 51 2HB ASP 51 -6.101 -6.748 -33.645 343 2HB ASP 51 1HB ASP 51 -7.209 -7.937 -32.964 344 H TRP 52 H TRP 52 -6.010 -7.933 -29.153 345 HA TRP 52 HA TRP 52 -7.058 -10.552 -29.494 346 1HB TRP 52 2HB TRP 52 -4.617 -11.506 -28.625 347 2HB TRP 52 1HB TRP 52 -5.221 -11.645 -30.273 348 HD1 TRP 52 HD1 TRP 52 -3.742 -8.594 -28.421 349 HE1 TRP 52 HE1 TRP 52 -1.802 -7.655 -29.836 350 HE3 TRP 52 HE3 TRP 52 -3.701 -12.000 -32.221 351 HZ2 TRP 52 HZ2 TRP 52 -0.419 -8.268 -32.264 352 HZ3 TRP 52 HZ3 TRP 52 -2.066 -11.800 -34.071 353 HH2 TRP 52 HH2 TRP 52 -0.427 -9.939 -34.097 354 H ASN 53 H ASN 53 -5.851 -11.872 -27.329 355 HA ASN 53 HA ASN 53 -7.166 -11.035 -25.090 356 1HB ASN 53 2HB ASN 53 -4.513 -12.376 -25.445 357 2HB ASN 53 1HB ASN 53 -5.004 -11.894 -23.820 358 1HD2 ASN 53 1HD2 ASN 53 -6.471 -13.258 -22.749 359 2HD2 ASN 53 2HD2 ASN 53 -7.310 -14.533 -23.490 360 H ASP 54 H ASP 54 -7.325 -8.925 -24.455 361 HA ASP 54 HA ASP 54 -5.165 -7.015 -24.629 362 1HB ASP 54 2HB ASP 54 -6.714 -5.689 -23.044 363 2HB ASP 54 1HB ASP 54 -7.354 -6.099 -24.638 364 H ASP 55 H ASP 55 -4.285 -5.887 -22.652 365 HA ASP 55 HA ASP 55 -3.236 -7.876 -20.787 366 1HB ASP 55 2HB ASP 55 -2.864 -4.937 -20.445 367 2HB ASP 55 1HB ASP 55 -1.722 -6.235 -20.126 368 H ARG 56 H ARG 56 -4.619 -8.549 -19.191 369 HA ARG 56 HA ARG 56 -6.366 -6.516 -17.893 370 1HB ARG 56 2HB ARG 56 -6.483 -9.518 -17.848 371 2HB ARG 56 1HB ARG 56 -7.623 -8.454 -17.042 372 1HG ARG 56 2HG ARG 56 -7.078 -8.265 -20.006 373 2HG ARG 56 1HG ARG 56 -8.318 -9.336 -19.352 374 1HD ARG 56 2HD ARG 56 -8.531 -6.713 -18.157 375 2HD ARG 56 1HD ARG 56 -8.577 -6.588 -19.914 376 HE ARG 56 HE ARG 56 -10.299 -8.718 -19.055 377 1HH1 ARG 56 1HH1 ARG 56 -10.457 -5.942 -20.720 378 2HH1 ARG 56 2HH1 ARG 56 -11.938 -5.349 -20.046 379 1HH2 ARG 56 1HH2 ARG 56 -12.009 -7.677 -17.477 380 2HH2 ARG 56 2HH2 ARG 56 -12.816 -6.332 -18.208 381 H CYS 57 H CYS 57 -6.283 -6.247 -15.621 382 HA CYS 57 HA CYS 57 -3.808 -7.277 -14.357 383 1HB CYS 57 2HB CYS 57 -5.770 -5.405 -13.043 384 2HB CYS 57 1HB CYS 57 -4.037 -5.559 -12.764 385 H THR 58 H THR 58 -3.961 -8.314 -12.245 386 HA THR 58 HA THR 58 -6.214 -10.156 -12.077 387 HB THR 58 HB THR 58 -5.005 -11.157 -10.240 388 HG1 THR 58 HG1 THR 58 -3.343 -10.101 -9.241 389 1HG2 THR 58 1HG2 THR 58 -3.157 -11.863 -11.426 390 2HG2 THR 58 2HG2 THR 58 -2.725 -10.228 -11.928 391 3HG2 THR 58 3HG2 THR 58 -4.049 -11.076 -12.727 392 H GLY 59 H GLY 59 -6.674 -10.414 -9.369 393 1HA GLY 59 2HA GLY 59 -8.159 -7.900 -8.815 394 2HA GLY 59 1HA GLY 59 -8.501 -9.471 -8.089 395 H GLN 60 H GLN 60 -5.186 -9.048 -8.105 396 HA GLN 60 HA GLN 60 -5.149 -7.577 -5.522 397 1HB GLN 60 2HB GLN 60 -3.992 -10.349 -5.954 398 2HB GLN 60 1HB GLN 60 -3.701 -9.352 -4.528 399 1HG GLN 60 2HG GLN 60 -6.488 -9.339 -4.862 400 2HG GLN 60 1HG GLN 60 -5.999 -11.008 -5.161 401 1HE2 GLN 60 1HE2 GLN 60 -4.824 -8.456 -2.882 402 2HE2 GLN 60 2HE2 GLN 60 -4.922 -9.442 -1.504 403 H SER 61 H SER 61 -4.112 -7.389 -8.460 404 HA SER 61 HA SER 61 -1.220 -7.023 -7.798 405 1HB SER 61 2HB SER 61 -1.953 -8.488 -9.780 406 2HB SER 61 1HB SER 61 -2.434 -6.987 -10.566 407 HG SER 61 HG SER 61 -0.411 -6.670 -10.999 408 H ALA 62 H ALA 62 -0.247 -5.001 -8.159 409 HA ALA 62 HA ALA 62 -2.165 -2.754 -8.606 410 1HB ALA 62 1HB ALA 62 0.566 -2.757 -7.281 411 2HB ALA 62 2HB ALA 62 -0.984 -2.711 -6.441 412 3HB ALA 62 3HB ALA 62 -0.486 -1.353 -7.450 413 H ASP 63 H ASP 63 0.418 -4.458 -10.029 414 HA ASP 63 HA ASP 63 0.960 -2.173 -11.881 415 1HB ASP 63 2HB ASP 63 2.793 -4.465 -11.966 416 2HB ASP 63 1HB ASP 63 3.156 -2.747 -11.962 417 H CYS 64 H CYS 64 1.986 -3.481 -14.037 418 HA CYS 64 HA CYS 64 -0.110 -5.479 -14.766 419 1HB CYS 64 2HB CYS 64 -0.761 -3.433 -15.821 420 2HB CYS 64 1HB CYS 64 0.868 -3.134 -16.409 421 HA PRO 65 HA PRO 65 3.797 -7.450 -15.667 422 1HB PRO 65 2HB PRO 65 2.835 -9.918 -14.971 423 2HB PRO 65 1HB PRO 65 3.511 -8.779 -13.805 424 1HG PRO 65 2HG PRO 65 0.696 -9.601 -14.223 425 2HG PRO 65 1HG PRO 65 1.443 -8.850 -12.803 426 1HD PRO 65 2HD PRO 65 -0.156 -7.566 -14.800 427 2HD PRO 65 1HD PRO 65 0.693 -6.789 -13.449 428 H ARG 66 H ARG 66 0.526 -8.580 -16.528 429 HA ARG 66 HA ARG 66 1.349 -10.265 -18.691 430 1HB ARG 66 2HB ARG 66 -1.188 -9.181 -17.640 431 2HB ARG 66 1HB ARG 66 -1.197 -9.546 -19.365 432 1HG ARG 66 2HG ARG 66 -1.861 -11.470 -17.818 433 2HG ARG 66 1HG ARG 66 -0.586 -11.825 -18.984 434 1HD ARG 66 2HD ARG 66 1.103 -11.751 -17.353 435 2HD ARG 66 1HD ARG 66 0.110 -10.822 -16.231 436 HE ARG 66 HE ARG 66 -1.223 -13.264 -16.567 437 1HH1 ARG 66 1HH2 ARG 66 1.680 -11.947 -15.266 438 2HH1 ARG 66 2HH2 ARG 66 2.026 -13.330 -14.284 439 1HH2 ARG 66 1HH1 ARG 66 -0.708 -15.143 -15.407 440 2HH2 ARG 66 2HH1 ARG 66 0.674 -15.139 -14.362 441 H TYR 67 H TYR 67 1.455 -9.831 -20.917 442 HA TYR 67 HA TYR 67 1.482 -6.952 -21.636 443 1HB TYR 67 2HB TYR 67 3.042 -7.653 -23.477 444 2HB TYR 67 1HB TYR 67 3.691 -7.929 -21.861 445 HD1 TYR 67 HD1 TYR 67 3.674 -10.222 -20.877 446 HD2 TYR 67 HD2 TYR 67 2.524 -9.483 -24.949 447 HE1 TYR 67 HE1 TYR 67 3.927 -12.634 -21.385 448 HE2 TYR 67 HE2 TYR 67 2.778 -11.897 -25.458 449 HH TYR 67 HH TYR 67 3.526 -14.243 -22.903 450 H HIS 68 HN HIS 68 0.073 -10.028 -22.276 451 HA HIS 68 HA HIS 68 -1.750 -8.799 -24.225 452 1HB HIS 68 2HB HIS 68 -1.294 -10.310 -26.033 453 2HB HIS 68 1HB HIS 68 0.263 -9.647 -25.538 454 HD1 HIS 68 HD1 HIS 68 -0.101 -12.483 -26.915 455 HD2 HIS 68 HD2 HIS 68 0.341 -11.825 -22.822 456 HE1 HIS 68 HE1 HIS 68 0.778 -14.646 -25.932 Start of MODEL 20 1 1H GLY 1 1HT GLY 1 12.491 -7.876 -7.358 2 2H GLY 1 2HT GLY 1 10.922 -8.088 -7.976 3 3H GLY 1 3HT GLY 1 11.745 -9.396 -7.268 4 1HA GLY 1 1HA GLY 1 9.942 -7.904 -5.985 5 2HA GLY 1 2HA GLY 1 11.241 -8.789 -5.184 6 H LYS 2 H LYS 2 9.850 -5.998 -4.841 7 HA LYS 2 HA LYS 2 12.395 -4.586 -4.230 8 1HB LYS 2 2HB LYS 2 10.993 -3.904 -6.464 9 2HB LYS 2 1HB LYS 2 10.217 -2.867 -5.267 10 1HG LYS 2 2HG LYS 2 12.888 -2.591 -4.638 11 2HG LYS 2 1HG LYS 2 12.926 -2.715 -6.397 12 1HD LYS 2 2HD LYS 2 11.431 -0.865 -6.654 13 2HD LYS 2 1HD LYS 2 11.029 -0.866 -4.937 14 1HE LYS 2 2HE LYS 2 12.580 0.879 -5.066 15 2HE LYS 2 1HE LYS 2 13.600 -0.483 -4.605 16 1HZ LYS 2 1HZ LYS 2 13.930 1.117 -6.796 17 2HZ LYS 2 2HZ LYS 2 13.257 -0.307 -7.433 18 3HZ LYS 2 3HZ LYS 2 14.689 -0.376 -6.522 19 H GLU 3 H GLU 3 12.141 -2.985 -2.536 20 HA GLU 3 HA GLU 3 9.694 -3.455 -0.891 21 1HB GLU 3 2HB GLU 3 12.484 -3.459 -0.262 22 2HB GLU 3 1HB GLU 3 11.709 -2.144 0.619 23 1HG GLU 3 2HG GLU 3 10.920 -3.659 2.085 24 2HG GLU 3 1HG GLU 3 9.942 -4.341 0.785 25 H CYS 4 H CYS 4 9.372 -1.646 -2.930 26 HA CYS 4 HA CYS 4 9.098 0.885 -1.423 27 1HB CYS 4 2HB CYS 4 11.197 0.922 -2.867 28 2HB CYS 4 1HB CYS 4 10.101 0.900 -4.227 29 H ASP 5 H ASP 5 6.895 -0.049 -1.391 30 HA ASP 5 HA ASP 5 5.220 -0.675 -3.460 31 1HB ASP 5 2HB ASP 5 4.661 -0.308 -0.966 32 2HB ASP 5 1HB ASP 5 4.346 1.367 -1.418 33 H CYS 6 H CYS 6 6.444 2.557 -2.697 34 HA CYS 6 HA CYS 6 5.532 3.421 -5.399 35 1HB CYS 6 2HB CYS 6 5.163 5.134 -2.928 36 2HB CYS 6 1HB CYS 6 4.639 5.508 -4.570 37 H SER 7 H SER 7 7.140 4.516 -6.450 38 HA SER 7 HA SER 7 9.655 4.996 -5.006 39 1HB SER 7 2HB SER 7 10.481 5.653 -7.293 40 2HB SER 7 1HB SER 7 9.826 4.020 -7.211 41 HG SER 7 HG SER 7 8.921 5.012 -8.976 42 H SER 8 H SER 8 6.990 6.701 -4.900 43 HA SER 8 HA SER 8 8.201 9.335 -5.558 44 1HB SER 8 2HB SER 8 5.658 9.861 -4.651 45 2HB SER 8 1HB SER 8 6.093 9.617 -6.341 46 HG SER 8 HG SER 8 5.500 7.491 -6.172 47 HA PRO 9 HA PRO 9 9.018 9.732 -1.192 48 1HB PRO 9 2HB PRO 9 10.169 12.221 -1.369 49 2HB PRO 9 1HB PRO 9 11.015 10.720 -1.782 50 1HG PRO 9 2HG PRO 9 9.907 12.810 -3.598 51 2HG PRO 9 1HG PRO 9 11.245 11.682 -3.871 52 1HD PRO 9 2HD PRO 9 8.617 11.415 -4.891 53 2HD PRO 9 1HD PRO 9 9.865 10.151 -4.874 54 H GLU 10 H GLU 10 7.083 11.858 -3.152 55 HA GLU 10 HA GLU 10 6.061 13.267 -0.734 56 1HB GLU 10 2HB GLU 10 6.605 14.124 -3.364 57 2HB GLU 10 1HB GLU 10 4.847 14.110 -3.222 58 1HG GLU 10 2HG GLU 10 5.132 15.360 -1.024 59 2HG GLU 10 1HG GLU 10 6.828 15.569 -1.461 60 H ASN 11 H ASN 11 5.400 10.509 -2.399 61 HA ASN 11 HA ASN 11 2.562 10.693 -2.768 62 1HB ASN 11 2HB ASN 11 4.314 8.940 -3.661 63 2HB ASN 11 1HB ASN 11 3.926 8.092 -2.164 64 1HD2 ASN 11 1HD2 ASN 11 3.182 7.596 -5.151 65 2HD2 ASN 11 2HD2 ASN 11 1.502 7.358 -5.101 66 HA PRO 12 HA PRO 12 1.609 10.387 1.588 67 1HB PRO 12 2HB PRO 12 -1.116 10.580 1.261 68 2HB PRO 12 1HB PRO 12 -0.027 11.978 1.229 69 1HG PRO 12 2HG PRO 12 -1.403 10.617 -1.042 70 2HG PRO 12 1HG PRO 12 -0.867 12.300 -0.900 71 1HD PRO 12 2HD PRO 12 0.463 10.259 -2.333 72 2HD PRO 12 1HD PRO 12 1.151 11.836 -1.887 73 H CYS 13 H CYS 13 0.406 8.384 -0.998 74 HA CYS 13 HA CYS 13 -0.761 6.371 0.806 75 1HB CYS 13 2HB CYS 13 -1.301 7.057 -1.772 76 2HB CYS 13 1HB CYS 13 -0.253 5.663 -1.998 77 H CYS 14 H CYS 14 2.276 7.192 0.512 78 HA CYS 14 HA CYS 14 3.184 4.463 0.976 79 1HB CYS 14 2HB CYS 14 3.810 5.917 -1.555 80 2HB CYS 14 1HB CYS 14 5.071 4.916 -0.831 81 H ASP 15 H ASP 15 4.349 4.756 2.780 82 HA ASP 15 HA ASP 15 5.442 7.112 3.774 83 1HB ASP 15 2HB ASP 15 5.357 4.612 4.705 84 2HB ASP 15 1HB ASP 15 7.028 4.642 4.161 85 H ALA 16 H ALA 16 7.178 8.359 3.237 86 HA ALA 16 HA ALA 16 8.841 7.479 0.971 87 1HB ALA 16 1HB ALA 16 9.663 9.991 1.361 88 2HB ALA 16 2HB ALA 16 8.103 10.102 2.177 89 3HB ALA 16 3HB ALA 16 8.179 9.631 0.480 90 H ALA 17 H ALA 17 9.101 6.705 3.974 91 HA ALA 17 HA ALA 17 11.994 7.449 4.206 92 1HB ALA 17 1HB ALA 17 11.780 7.687 6.499 93 2HB ALA 17 2HB ALA 17 10.434 6.552 6.595 94 3HB ALA 17 3HB ALA 17 10.164 8.192 6.005 95 H THR 18 H THR 18 9.709 4.969 3.820 96 HA THR 18 HA THR 18 11.818 2.934 4.318 97 HB THR 18 HB THR 18 9.005 3.032 5.297 98 HG1 THR 18 HG1 THR 18 10.548 3.466 6.787 99 1HG2 THR 18 1HG2 THR 18 9.382 0.502 5.786 100 2HG2 THR 18 2HG2 THR 18 10.513 0.588 4.436 101 3HG2 THR 18 3HG2 THR 18 8.812 0.984 4.188 102 H CYS 19 H CYS 19 9.934 4.402 2.066 103 HA CYS 19 HA CYS 19 9.220 3.809 -0.085 104 1HB CYS 19 2HB CYS 19 11.635 2.342 0.460 105 2HB CYS 19 1HB CYS 19 10.591 1.419 -0.596 106 H LYS 20 H LYS 20 7.100 3.306 0.867 107 HA LYS 20 HA LYS 20 6.056 0.834 -0.023 108 1HB LYS 20 2HB LYS 20 7.102 0.796 2.750 109 2HB LYS 20 1HB LYS 20 5.487 0.125 2.519 110 1HG LYS 20 2HG LYS 20 7.000 -0.867 0.367 111 2HG LYS 20 1HG LYS 20 8.049 -1.015 1.778 112 1HD LYS 20 2HD LYS 20 6.864 -2.789 2.482 113 2HD LYS 20 1HD LYS 20 5.411 -1.794 2.556 114 1HE LYS 20 2HE LYS 20 6.078 -2.467 -0.190 115 2HE LYS 20 1HE LYS 20 5.883 -3.919 0.792 116 1HZ LYS 20 1HZ LYS 20 3.932 -1.691 0.833 117 2HZ LYS 20 2HZ LYS 20 3.732 -3.270 1.429 118 3HZ LYS 20 3HZ LYS 20 3.803 -2.992 -0.246 119 H LEU 21 H LEU 21 3.775 0.450 1.137 120 HA LEU 21 HA LEU 21 2.306 2.896 0.806 121 1HB LEU 21 2HB LEU 21 1.640 0.125 1.726 122 2HB LEU 21 1HB LEU 21 0.472 1.416 2.011 123 HG LEU 21 HG LEU 21 1.717 1.048 -0.702 124 1HD1 LEU 21 1HD1 LEU 21 0.277 -0.959 0.532 125 2HD1 LEU 21 2HD1 LEU 21 0.424 -0.738 -1.212 126 3HD1 LEU 21 3HD1 LEU 21 -0.967 -0.075 -0.353 127 1HD2 LEU 21 1HD2 LEU 21 -1.020 1.824 -0.721 128 2HD2 LEU 21 2HD2 LEU 21 0.386 2.786 -1.173 129 3HD2 LEU 21 3HD2 LEU 21 -0.195 2.803 0.492 130 H ARG 22 H ARG 22 1.821 4.462 2.279 131 HA ARG 22 HA ARG 22 2.905 4.219 4.989 132 1HB ARG 22 2HB ARG 22 2.367 6.352 3.263 133 2HB ARG 22 1HB ARG 22 1.183 6.526 4.560 134 1HG ARG 22 2HG ARG 22 4.039 5.922 5.257 135 2HG ARG 22 1HG ARG 22 3.582 7.575 4.838 136 1HD ARG 22 2HD ARG 22 1.566 6.865 6.560 137 2HD ARG 22 1HD ARG 22 2.943 6.005 7.249 138 HE ARG 22 HE ARG 22 2.716 8.952 6.965 139 1HH1 ARG 22 1HH1 ARG 22 3.222 7.186 9.483 140 2HH1 ARG 22 2HH1 ARG 22 4.883 7.571 9.789 141 1HH2 ARG 22 1HH2 ARG 22 5.401 9.003 6.672 142 2HH2 ARG 22 2HH2 ARG 22 6.116 8.600 8.198 143 HA PRO 23 HA PRO 23 -1.721 4.402 6.117 144 1HB PRO 23 2HB PRO 23 -3.550 4.409 4.069 145 2HB PRO 23 1HB PRO 23 -2.848 5.884 4.754 146 1HG PRO 23 2HG PRO 23 -2.271 4.573 2.144 147 2HG PRO 23 1HG PRO 23 -2.081 6.270 2.612 148 1HD PRO 23 2HD PRO 23 -0.009 4.335 2.422 149 2HD PRO 23 1HD PRO 23 0.123 5.954 3.138 150 H GLY 24 H GLY 24 -3.894 2.889 5.377 151 1HA GLY 24 2HA GLY 24 -2.710 0.182 5.172 152 2HA GLY 24 1HA GLY 24 -4.363 0.549 5.668 153 H ALA 25 H ALA 25 -3.180 2.204 2.884 154 HA ALA 25 HA ALA 25 -5.241 1.247 1.187 155 1HB ALA 25 1HB ALA 25 -3.921 2.266 -0.653 156 2HB ALA 25 2HB ALA 25 -2.553 2.442 0.447 157 3HB ALA 25 3HB ALA 25 -4.041 3.341 0.740 158 H GLN 26 H GLN 26 -4.696 0.095 -0.986 159 HA GLN 26 HA GLN 26 -3.210 -2.379 -0.289 160 1HB GLN 26 2HB GLN 26 -5.548 -1.737 -1.891 161 2HB GLN 26 1HB GLN 26 -4.409 -2.756 -2.770 162 1HG GLN 26 2HG GLN 26 -5.840 -4.250 -1.566 163 2HG GLN 26 1HG GLN 26 -4.311 -4.210 -0.685 164 1HE2 GLN 26 1HE2 GLN 26 -5.218 -4.633 1.419 165 2HE2 GLN 26 2HE2 GLN 26 -6.245 -3.532 2.204 166 H CYS 27 H CYS 27 -3.005 0.427 -2.244 167 HA CYS 27 HA CYS 27 -0.355 -0.233 -3.136 168 1HB CYS 27 2HB CYS 27 -1.324 -1.584 -4.800 169 2HB CYS 27 1HB CYS 27 -2.636 -0.450 -5.063 170 H GLY 28 H GLY 28 0.556 1.734 -2.834 171 1HA GLY 28 2HA GLY 28 -1.062 4.167 -3.115 172 2HA GLY 28 1HA GLY 28 0.600 4.090 -2.540 173 H GLU 29 H GLU 29 0.539 2.294 -5.310 174 HA GLU 29 HA GLU 29 0.432 4.264 -7.368 175 1HB GLU 29 2HB GLU 29 2.391 5.129 -6.013 176 2HB GLU 29 1HB GLU 29 3.254 3.656 -6.460 177 1HG GLU 29 2HG GLU 29 2.284 4.513 -8.887 178 2HG GLU 29 1HG GLU 29 2.649 6.036 -8.075 179 H GLY 30 H GLY 30 0.019 2.986 -9.090 180 1HA GLY 30 2HA GLY 30 1.804 0.963 -10.015 181 2HA GLY 30 1HA GLY 30 0.448 0.194 -9.191 182 H LEU 31 H LEU 31 0.611 -0.387 -11.818 183 HA LEU 31 HA LEU 31 -0.770 1.532 -13.499 184 1HB LEU 31 2HB LEU 31 0.505 -1.019 -13.829 185 2HB LEU 31 1HB LEU 31 -1.055 -1.020 -14.635 186 HG LEU 31 HG LEU 31 1.174 0.998 -15.003 187 1HD1 LEU 31 1HD1 LEU 31 1.829 -0.552 -16.523 188 2HD1 LEU 31 2HD1 LEU 31 0.438 -0.016 -17.465 189 3HD1 LEU 31 3HD1 LEU 31 0.302 -1.425 -16.416 190 1HD2 LEU 31 1HD2 LEU 31 -0.842 1.346 -16.943 191 2HD2 LEU 31 2HD2 LEU 31 -0.449 2.442 -15.617 192 3HD2 LEU 31 3HD2 LEU 31 -1.690 1.206 -15.402 193 H CYS 32 H CYS 32 -1.718 -1.272 -11.583 194 HA CYS 32 HA CYS 32 -4.562 -0.738 -12.336 195 1HB CYS 32 2HB CYS 32 -3.690 -3.255 -10.953 196 2HB CYS 32 1HB CYS 32 -5.039 -3.002 -12.060 197 H CYS 33 H CYS 33 -3.633 1.012 -10.504 198 HA CYS 33 HA CYS 33 -4.637 -0.081 -7.906 199 1HB CYS 33 2HB CYS 33 -2.596 2.121 -8.342 200 2HB CYS 33 1HB CYS 33 -3.169 1.543 -6.779 201 H GLU 34 H GLU 34 -6.671 0.707 -7.646 202 HA GLU 34 HA GLU 34 -7.550 3.210 -8.841 203 1HB GLU 34 2HB GLU 34 -9.161 2.169 -6.621 204 2HB GLU 34 1HB GLU 34 -9.647 2.564 -8.265 205 1HG GLU 34 2HG GLU 34 -8.247 0.398 -8.856 206 2HG GLU 34 1HG GLU 34 -8.584 -0.014 -7.175 207 H GLN 35 H GLN 35 -9.057 4.190 -6.549 208 HA GLN 35 HA GLN 35 -7.185 6.034 -5.495 209 1HB GLN 35 2HB GLN 35 -9.969 5.228 -4.858 210 2HB GLN 35 1HB GLN 35 -9.082 6.019 -3.555 211 1HG GLN 35 2HG GLN 35 -8.395 7.703 -5.477 212 2HG GLN 35 1HG GLN 35 -9.867 7.096 -6.238 213 1HE2 GLN 35 1HE2 GLN 35 -9.265 9.801 -4.936 214 2HE2 GLN 35 2HE2 GLN 35 -10.500 10.001 -3.790 215 H CYS 36 H CYS 36 -5.359 4.850 -4.758 216 HA CYS 36 HA CYS 36 -4.092 3.546 -3.268 217 1HB CYS 36 2HB CYS 36 -6.088 4.993 -1.532 218 2HB CYS 36 1HB CYS 36 -4.877 3.922 -0.832 219 H LYS 37 H LYS 37 -5.985 1.979 -4.615 220 HA LYS 37 HA LYS 37 -6.408 -0.133 -2.597 221 1HB LYS 37 2HB LYS 37 -8.578 1.502 -3.703 222 2HB LYS 37 1HB LYS 37 -8.821 -0.227 -3.953 223 1HG LYS 37 2HG LYS 37 -9.344 -0.515 -1.784 224 2HG LYS 37 1HG LYS 37 -7.827 0.233 -1.285 225 1HD LYS 37 2HD LYS 37 -9.466 2.338 -2.220 226 2HD LYS 37 1HD LYS 37 -10.491 1.332 -1.194 227 1HE LYS 37 2HE LYS 37 -8.880 1.472 0.629 228 2HE LYS 37 1HE LYS 37 -7.757 2.369 -0.394 229 1HZ LYS 37 1HZ LYS 37 -9.138 4.219 -0.424 230 2HZ LYS 37 2HZ LYS 37 -9.243 3.682 1.185 231 3HZ LYS 37 3HZ LYS 37 -10.500 3.349 0.091 232 H PHE 38 H PHE 38 -6.796 -2.232 -3.622 233 HA PHE 38 HA PHE 38 -5.371 -2.505 -6.126 234 1HB PHE 38 2HB PHE 38 -6.865 -4.403 -4.327 235 2HB PHE 38 1HB PHE 38 -6.325 -4.929 -5.920 236 HD1 PHE 38 HD1 PHE 38 -5.421 -5.539 -2.838 237 HD2 PHE 38 HD2 PHE 38 -3.777 -3.415 -6.192 238 HE1 PHE 38 HE1 PHE 38 -3.135 -5.898 -1.948 239 HE2 PHE 38 HE2 PHE 38 -1.494 -3.774 -5.300 240 HZ PHE 38 HZ PHE 38 -1.172 -5.016 -3.178 241 H SER 39 H SER 39 -6.206 -2.408 -8.154 242 HA SER 39 HA SER 39 -8.986 -1.794 -8.599 243 1HB SER 39 2HB SER 39 -8.355 -2.249 -11.036 244 2HB SER 39 1HB SER 39 -7.418 -0.998 -10.224 245 HG SER 39 HG SER 39 -6.710 -3.678 -10.791 246 H ARG 40 H ARG 40 -10.351 -3.236 -10.125 247 HA ARG 40 HA ARG 40 -10.379 -5.925 -8.986 248 1HB ARG 40 2HB ARG 40 -12.233 -5.134 -11.162 249 2HB ARG 40 1HB ARG 40 -12.555 -6.086 -9.720 250 1HG ARG 40 2HG ARG 40 -12.159 -3.924 -8.396 251 2HG ARG 40 1HG ARG 40 -12.272 -3.087 -9.944 252 1HD ARG 40 2HD ARG 40 -14.521 -3.458 -10.134 253 2HD ARG 40 1HD ARG 40 -14.422 -5.052 -9.385 254 HE ARG 40 HE ARG 40 -14.314 -2.522 -7.789 255 1HH1 ARG 40 1HH1 ARG 40 -17.013 -3.647 -8.030 256 2HH1 ARG 40 2HH1 ARG 40 -17.115 -4.730 -6.682 257 1HH2 ARG 40 1HH2 ARG 40 -13.685 -4.845 -6.179 258 2HH2 ARG 40 2HH2 ARG 40 -15.228 -5.409 -5.634 259 H ALA 41 H ALA 41 -10.093 -7.847 -10.201 260 HA ALA 41 HA ALA 41 -8.120 -7.923 -12.166 261 1HB ALA 41 1HB ALA 41 -8.671 -10.169 -12.481 262 2HB ALA 41 2HB ALA 41 -10.402 -9.866 -12.342 263 3HB ALA 41 3HB ALA 41 -9.387 -9.858 -10.900 264 H GLY 42 H GLY 42 -8.529 -8.682 -14.533 265 1HA GLY 42 2HA GLY 42 -9.442 -8.215 -16.647 266 2HA GLY 42 1HA GLY 42 -10.928 -7.753 -15.827 267 H LYS 43 H LYS 43 -7.979 -6.243 -14.782 268 HA LYS 43 HA LYS 43 -9.027 -3.658 -15.713 269 1HB LYS 43 2HB LYS 43 -8.227 -3.511 -13.512 270 2HB LYS 43 1HB LYS 43 -6.809 -4.493 -13.866 271 1HG LYS 43 2HG LYS 43 -6.200 -2.107 -13.617 272 2HG LYS 43 1HG LYS 43 -5.886 -2.678 -15.254 273 1HD LYS 43 2HD LYS 43 -7.025 -0.744 -15.769 274 2HD LYS 43 1HD LYS 43 -8.398 -1.842 -15.623 275 1HE LYS 43 2HE LYS 43 -8.636 -1.176 -13.235 276 2HE LYS 43 1HE LYS 43 -7.327 -0.013 -13.456 277 1HZ LYS 43 1HZ LYS 43 -8.677 0.973 -15.279 278 2HZ LYS 43 2HZ LYS 43 -9.373 1.132 -13.737 279 3HZ LYS 43 3HZ LYS 43 -9.961 -0.036 -14.821 280 H ILE 44 H ILE 44 -8.363 -2.707 -17.589 281 HA ILE 44 HA ILE 44 -6.217 -3.923 -19.153 282 HB ILE 44 HB ILE 44 -8.073 -3.039 -20.383 283 1HG1 ILE 44 2HG1 ILE 44 -6.985 -1.445 -21.869 284 2HG1 ILE 44 1HG1 ILE 44 -5.816 -1.024 -20.616 285 1HG2 ILE 44 1HG2 ILE 44 -7.939 -0.996 -18.352 286 2HG2 ILE 44 2HG2 ILE 44 -9.250 -1.353 -19.477 287 3HG2 ILE 44 3HG2 ILE 44 -7.959 -0.250 -19.951 288 1HD1 ILE 44 1HD1 ILE 44 -6.073 -3.898 -21.413 289 2HD1 ILE 44 2HD1 ILE 44 -4.659 -3.022 -20.829 290 3HD1 ILE 44 3HD1 ILE 44 -5.207 -2.804 -22.491 291 H CYS 45 H CYS 45 -4.364 -3.645 -17.918 292 HA CYS 45 HA CYS 45 -3.515 -1.025 -16.936 293 1HB CYS 45 2HB CYS 45 -1.341 -2.302 -16.508 294 2HB CYS 45 1HB CYS 45 -2.767 -2.875 -15.665 295 H ARG 46 H ARG 46 -2.967 -2.960 -19.821 296 HA ARG 46 HA ARG 46 -1.478 -0.654 -20.948 297 1HB ARG 46 2HB ARG 46 0.232 -2.220 -20.063 298 2HB ARG 46 1HB ARG 46 -0.446 -3.502 -21.067 299 1HG ARG 46 2HG ARG 46 0.510 -2.690 -22.962 300 2HG ARG 46 1HG ARG 46 0.151 -1.017 -22.534 301 1HD ARG 46 2HD ARG 46 2.030 -1.650 -20.651 302 2HD ARG 46 1HD ARG 46 2.586 -2.609 -22.023 303 HE ARG 46 HE ARG 46 1.945 0.200 -22.631 304 1HH1 ARG 46 1HH1 ARG 46 4.246 0.001 -20.642 305 2HH1 ARG 46 2HH1 ARG 46 5.609 -0.046 -21.710 306 1HH2 ARG 46 1HH2 ARG 46 3.721 -0.803 -24.517 307 2HH2 ARG 46 2HH2 ARG 46 5.312 -0.501 -23.902 308 H ILE 47 H ILE 47 -1.818 -0.382 -23.145 309 HA ILE 47 HA ILE 47 -3.964 -2.001 -24.331 310 HB ILE 47 HB ILE 47 -3.988 0.430 -24.661 311 1HG1 ILE 47 2HG1 ILE 47 -4.011 0.429 -27.201 312 2HG1 ILE 47 1HG1 ILE 47 -3.397 -1.222 -27.132 313 1HG2 ILE 47 1HG2 ILE 47 -1.678 1.011 -24.551 314 2HG2 ILE 47 2HG2 ILE 47 -2.173 1.373 -26.203 315 3HG2 ILE 47 3HG2 ILE 47 -1.262 -0.096 -25.859 316 1HD1 ILE 47 1HD1 ILE 47 -5.997 -0.789 -27.258 317 2HD1 ILE 47 2HD1 ILE 47 -5.827 -0.506 -25.526 318 3HD1 ILE 47 3HD1 ILE 47 -5.363 -2.062 -26.215 319 H ALA 48 H ALA 48 -3.697 -3.325 -26.174 320 HA ALA 48 HA ALA 48 -0.943 -4.263 -26.583 321 1HB ALA 48 1HB ALA 48 -3.637 -5.382 -27.375 322 2HB ALA 48 2HB ALA 48 -2.535 -6.003 -26.150 323 3HB ALA 48 3HB ALA 48 -2.107 -6.120 -27.855 324 H LYS 49 H LYS 49 -0.730 -5.084 -29.096 325 HA LYS 49 HA LYS 49 -0.497 -2.677 -30.659 326 1HB LYS 49 2HB LYS 49 -0.260 -5.535 -31.498 327 2HB LYS 49 1HB LYS 49 0.312 -4.158 -32.427 328 1HG LYS 49 2HG LYS 49 1.343 -3.953 -29.761 329 2HG LYS 49 1HG LYS 49 1.683 -5.576 -30.364 330 1HD LYS 49 2HD LYS 49 2.177 -3.238 -32.174 331 2HD LYS 49 1HD LYS 49 3.339 -3.578 -30.891 332 1HE LYS 49 2HE LYS 49 4.228 -4.948 -32.507 333 2HE LYS 49 1HE LYS 49 3.042 -6.072 -31.845 334 1HZ LYS 49 1HZ LYS 49 1.805 -4.408 -33.752 335 2HZ LYS 49 2HZ LYS 49 1.992 -6.097 -33.776 336 3HZ LYS 49 3HZ LYS 49 3.193 -5.098 -34.442 337 H GLY 50 H GLY 50 -1.951 -5.520 -32.105 338 1HA GLY 50 2HA GLY 50 -4.519 -4.187 -32.389 339 2HA GLY 50 1HA GLY 50 -3.635 -4.416 -33.894 340 H ASP 51 H ASP 51 -5.838 -5.827 -31.783 341 HA ASP 51 HA ASP 51 -6.996 -7.869 -32.030 342 1HB ASP 51 2HB ASP 51 -5.534 -7.724 -34.412 343 2HB ASP 51 1HB ASP 51 -5.157 -9.299 -33.713 344 H TRP 52 H TRP 52 -6.686 -8.742 -30.056 345 HA TRP 52 HA TRP 52 -5.247 -11.053 -29.578 346 1HB TRP 52 2HB TRP 52 -3.414 -9.853 -28.002 347 2HB TRP 52 1HB TRP 52 -3.090 -10.300 -29.668 348 HD1 TRP 52 HD1 TRP 52 -1.463 -8.413 -30.232 349 HE1 TRP 52 HE1 TRP 52 -1.683 -5.879 -30.480 350 HE3 TRP 52 HE3 TRP 52 -6.084 -7.662 -28.179 351 HZ2 TRP 52 HZ2 TRP 52 -3.563 -3.796 -29.897 352 HZ3 TRP 52 HZ3 TRP 52 -7.052 -5.402 -28.058 353 HH2 TRP 52 HH2 TRP 52 -5.771 -3.468 -28.929 354 H ASN 53 H ASN 53 -4.428 -10.778 -26.888 355 HA ASN 53 HA ASN 53 -7.038 -10.121 -25.622 356 1HB ASN 53 2HB ASN 53 -4.882 -12.067 -25.104 357 2HB ASN 53 1HB ASN 53 -5.467 -11.249 -23.654 358 1HD2 ASN 53 1HD2 ASN 53 -6.453 -13.373 -23.016 359 2HD2 ASN 53 2HD2 ASN 53 -7.923 -13.853 -23.718 360 H ASP 54 H ASP 54 -7.150 -8.147 -24.631 361 HA ASP 54 HA ASP 54 -4.948 -6.370 -24.386 362 1HB ASP 54 2HB ASP 54 -6.521 -5.264 -22.602 363 2HB ASP 54 1HB ASP 54 -7.033 -5.308 -24.288 364 H ASP 55 H ASP 55 -3.933 -5.582 -22.391 365 HA ASP 55 HA ASP 55 -3.119 -7.804 -20.680 366 1HB ASP 55 2HB ASP 55 -2.024 -5.321 -21.462 367 2HB ASP 55 1HB ASP 55 -2.241 -5.243 -19.718 368 H ARG 56 H ARG 56 -4.692 -8.424 -19.256 369 HA ARG 56 HA ARG 56 -6.214 -6.351 -17.780 370 1HB ARG 56 2HB ARG 56 -6.589 -9.315 -17.628 371 2HB ARG 56 1HB ARG 56 -7.743 -8.057 -17.220 372 1HG ARG 56 2HG ARG 56 -6.757 -7.867 -19.975 373 2HG ARG 56 1HG ARG 56 -7.619 -9.369 -19.649 374 1HD ARG 56 2HD ARG 56 -9.328 -7.704 -18.458 375 2HD ARG 56 1HD ARG 56 -8.620 -6.556 -19.596 376 HE ARG 56 HE ARG 56 -9.371 -9.019 -20.919 377 1HH1 ARG 56 1HH1 ARG 56 -10.285 -5.844 -19.957 378 2HH1 ARG 56 2HH1 ARG 56 -11.768 -5.856 -20.849 379 1HH2 ARG 56 1HH2 ARG 56 -11.405 -9.128 -21.935 380 2HH2 ARG 56 2HH2 ARG 56 -12.402 -7.712 -21.967 381 H CYS 57 H CYS 57 -6.145 -6.213 -15.496 382 HA CYS 57 HA CYS 57 -3.730 -7.416 -14.274 383 1HB CYS 57 2HB CYS 57 -5.681 -5.567 -12.900 384 2HB CYS 57 1HB CYS 57 -3.987 -5.849 -12.514 385 H THR 58 H THR 58 -3.974 -8.463 -12.131 386 HA THR 58 HA THR 58 -6.241 -10.304 -12.116 387 HB THR 58 HB THR 58 -5.090 -11.446 -10.396 388 HG1 THR 58 HG1 THR 58 -3.221 -10.115 -9.445 389 1HG2 THR 58 1HG2 THR 58 -2.555 -10.402 -11.327 390 2HG2 THR 58 2HG2 THR 58 -3.686 -10.576 -12.669 391 3HG2 THR 58 3HG2 THR 58 -3.299 -11.966 -11.655 392 H GLY 59 H GLY 59 -6.821 -10.574 -9.408 393 1HA GLY 59 2HA GLY 59 -8.346 -8.075 -8.945 394 2HA GLY 59 1HA GLY 59 -8.666 -9.627 -8.177 395 H GLN 60 H GLN 60 -5.388 -9.246 -8.052 396 HA GLN 60 HA GLN 60 -5.412 -7.570 -5.598 397 1HB GLN 60 2HB GLN 60 -4.235 -10.365 -5.701 398 2HB GLN 60 1HB GLN 60 -4.192 -9.267 -4.321 399 1HG GLN 60 2HG GLN 60 -6.863 -9.290 -4.860 400 2HG GLN 60 1HG GLN 60 -6.419 -10.928 -5.337 401 1HE2 GLN 60 1HE2 GLN 60 -4.146 -10.971 -3.335 402 2HE2 GLN 60 2HE2 GLN 60 -4.894 -11.187 -1.827 403 H SER 61 H SER 61 -4.258 -7.525 -8.448 404 HA SER 61 HA SER 61 -1.373 -7.301 -7.694 405 1HB SER 61 2HB SER 61 -1.772 -8.827 -9.565 406 2HB SER 61 1HB SER 61 -2.677 -7.580 -10.420 407 HG SER 61 HG SER 61 -0.214 -7.990 -10.737 408 H ALA 62 H ALA 62 -0.388 -5.303 -7.833 409 HA ALA 62 HA ALA 62 -2.141 -3.018 -8.596 410 1HB ALA 62 1HB ALA 62 0.023 -3.434 -6.622 411 2HB ALA 62 2HB ALA 62 -1.378 -2.365 -6.550 412 3HB ALA 62 3HB ALA 62 0.056 -1.878 -7.453 413 H ASP 63 H ASP 63 0.610 -4.795 -9.652 414 HA ASP 63 HA ASP 63 1.416 -2.557 -11.453 415 1HB ASP 63 2HB ASP 63 2.921 -5.107 -10.963 416 2HB ASP 63 1HB ASP 63 3.524 -3.636 -11.712 417 H CYS 64 H CYS 64 2.354 -3.622 -13.639 418 HA CYS 64 HA CYS 64 0.448 -5.722 -14.551 419 1HB CYS 64 2HB CYS 64 -0.550 -3.598 -15.195 420 2HB CYS 64 1HB CYS 64 0.968 -3.076 -15.922 421 HA PRO 65 HA PRO 65 4.157 -7.217 -16.390 422 1HB PRO 65 2HB PRO 65 2.962 -9.421 -17.486 423 2HB PRO 65 1HB PRO 65 3.418 -9.320 -15.785 424 1HG PRO 65 2HG PRO 65 0.724 -9.213 -17.035 425 2HG PRO 65 1HG PRO 65 1.176 -9.659 -15.381 426 1HD PRO 65 2HD PRO 65 0.089 -7.174 -16.222 427 2HD PRO 65 1HD PRO 65 0.773 -7.548 -14.626 428 H ARG 66 H ARG 66 5.018 -7.198 -18.538 429 HA ARG 66 HA ARG 66 3.328 -5.900 -20.543 430 1HB ARG 66 2HB ARG 66 6.211 -6.782 -20.805 431 2HB ARG 66 1HB ARG 66 5.363 -5.610 -21.813 432 1HG ARG 66 2HG ARG 66 6.010 -3.986 -20.396 433 2HG ARG 66 1HG ARG 66 5.035 -4.745 -19.136 434 1HD ARG 66 2HD ARG 66 6.905 -6.150 -18.467 435 2HD ARG 66 1HD ARG 66 7.883 -5.541 -19.803 436 HE ARG 66 HE ARG 66 7.707 -3.272 -18.643 437 1HH1 ARG 66 1HH2 ARG 66 8.761 -6.048 -17.203 438 2HH1 ARG 66 2HH2 ARG 66 8.562 -5.517 -15.566 439 1HH2 ARG 66 1HH1 ARG 66 6.798 -2.657 -16.427 440 2HH2 ARG 66 2HH1 ARG 66 7.450 -3.597 -15.127 441 H TYR 67 H TYR 67 2.284 -7.004 -22.138 442 HA TYR 67 HA TYR 67 3.031 -9.835 -22.567 443 1HB TYR 67 2HB TYR 67 0.638 -9.066 -21.845 444 2HB TYR 67 1HB TYR 67 0.483 -8.652 -23.548 445 HD1 TYR 67 HD1 TYR 67 0.210 -10.324 -25.224 446 HD2 TYR 67 HD2 TYR 67 1.233 -11.433 -21.203 447 HE1 TYR 67 HE1 TYR 67 -0.195 -12.707 -25.779 448 HE2 TYR 67 HE2 TYR 67 0.827 -13.815 -21.756 449 HH TYR 67 HH TYR 67 -0.436 -15.134 -23.392 450 H HIS 68 HN HIS 68 2.512 -6.758 -24.170 451 HA HIS 68 HA HIS 68 3.690 -7.958 -26.638 452 1HB HIS 68 2HB HIS 68 1.037 -7.161 -26.431 453 2HB HIS 68 1HB HIS 68 1.825 -5.763 -27.163 454 HD1 HIS 68 HD1 HIS 68 -0.096 -7.995 -28.583 455 HD2 HIS 68 HD2 HIS 68 4.037 -7.606 -28.958 456 HE1 HIS 68 HE1 HIS 68 0.533 -9.110 -30.768
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