NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
1875 | 1b3c | 4279 | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H LYS 1 1H LYS 1 3.210 4.698 11.821 2 2H LYS 1 2H LYS 1 4.859 5.107 11.818 3 3H LYS 1 3H LYS 1 3.689 6.311 12.056 4 HA LYS 1 HA LYS 1 3.053 6.351 9.843 5 1HB LYS 1 1HB LYS 1 5.840 6.269 10.588 6 2HB LYS 1 2HB LYS 1 5.660 5.672 8.938 7 1HG LYS 1 1HG LYS 1 4.943 7.696 8.137 8 2HG LYS 1 2HG LYS 1 4.098 8.105 9.629 9 1HD LYS 1 1HD LYS 1 5.834 9.519 9.996 10 2HD LYS 1 2HD LYS 1 6.726 8.066 10.451 11 1HE LYS 1 1HE LYS 1 7.167 7.879 7.847 12 2HE LYS 1 2HE LYS 1 6.832 9.622 7.882 13 1HZ LYS 1 1HZ LYS 1 8.352 9.436 10.022 14 2HZ LYS 1 2HZ LYS 1 8.996 8.123 9.156 15 3HZ LYS 1 3HZ LYS 1 9.014 9.676 8.475 16 H ASP 2 H ASP 2 1.707 4.282 9.830 17 HA ASP 2 HA ASP 2 2.931 2.325 7.934 18 1HB ASP 2 1HB ASP 2 1.234 1.389 10.239 19 2HB ASP 2 2HB ASP 2 2.447 0.496 9.324 20 H GLY 3 H GLY 3 1.542 2.269 6.198 21 1HA GLY 3 1HA GLY 3 -1.374 2.145 6.740 22 2HA GLY 3 2HA GLY 3 -0.797 3.419 5.666 23 H TYR 4 H TYR 4 -2.470 1.927 4.378 24 HA TYR 4 HA TYR 4 -0.982 -0.292 3.032 25 1HB TYR 4 1HB TYR 4 -3.853 0.435 3.533 26 2HB TYR 4 2HB TYR 4 -3.467 -0.606 2.163 27 HD1 TYR 4 HD1 TYR 4 -3.352 -0.272 5.842 28 HD2 TYR 4 HD2 TYR 4 -2.624 -2.857 2.489 29 HE1 TYR 4 HE1 TYR 4 -3.118 -2.204 7.381 30 HE2 TYR 4 HE2 TYR 4 -2.389 -4.786 4.028 31 HH TYR 4 HH TYR 4 -3.481 -4.978 6.921 32 H LEU 5 H LEU 5 -1.899 -0.419 0.579 33 HA LEU 5 HA LEU 5 -1.266 2.236 -0.627 34 1HB LEU 5 1HB LEU 5 -0.840 -0.611 -1.229 35 2HB LEU 5 2HB LEU 5 -1.333 0.338 -2.633 36 HG LEU 5 HG LEU 5 0.726 1.575 -0.889 37 1HD1 LEU 5 1HD1 LEU 5 1.461 -0.785 -0.942 38 2HD1 LEU 5 2HD1 LEU 5 1.340 -0.781 -2.702 39 3HD1 LEU 5 3HD1 LEU 5 2.536 0.235 -1.897 40 1HD2 LEU 5 1HD2 LEU 5 -0.196 1.583 -3.684 41 2HD2 LEU 5 2HD2 LEU 5 0.577 2.866 -2.753 42 3HD2 LEU 5 3HD2 LEU 5 1.560 1.618 -3.519 43 H VAL 6 H VAL 6 -2.691 3.193 -2.134 44 HA VAL 6 HA VAL 6 -5.474 2.096 -2.133 45 HB VAL 6 HB VAL 6 -6.132 4.377 -2.494 46 1HG1 VAL 6 1HG1 VAL 6 -5.302 3.839 -0.207 47 2HG1 VAL 6 2HG1 VAL 6 -3.703 4.413 -0.678 48 3HG1 VAL 6 3HG1 VAL 6 -5.063 5.534 -0.625 49 1HG2 VAL 6 1HG2 VAL 6 -3.536 4.513 -3.770 50 2HG2 VAL 6 2HG2 VAL 6 -4.898 5.624 -3.911 51 3HG2 VAL 6 3HG2 VAL 6 -3.717 5.836 -2.618 52 H GLU 7 H GLU 7 -6.485 3.340 -4.350 53 HA GLU 7 HA GLU 7 -4.766 2.676 -6.680 54 1HB GLU 7 1HB GLU 7 -7.157 1.175 -5.688 55 2HB GLU 7 2HB GLU 7 -6.956 1.333 -7.433 56 1HG GLU 7 1HG GLU 7 -4.413 0.670 -6.643 57 2HG GLU 7 2HG GLU 7 -5.394 -0.252 -5.502 58 H LYS 8 H LYS 8 -6.148 3.154 -8.770 59 HA LYS 8 HA LYS 8 -6.854 5.815 -8.990 60 1HB LYS 8 1HB LYS 8 -6.683 4.358 -10.905 61 2HB LYS 8 2HB LYS 8 -8.002 3.344 -10.320 62 1HG LYS 8 1HG LYS 8 -9.439 5.500 -10.445 63 2HG LYS 8 2HG LYS 8 -8.143 6.134 -11.459 64 1HD LYS 8 1HD LYS 8 -9.574 3.515 -11.986 65 2HD LYS 8 2HD LYS 8 -10.002 5.043 -12.757 66 1HE LYS 8 1HE LYS 8 -7.207 4.809 -13.081 67 2HE LYS 8 2HE LYS 8 -7.875 3.208 -13.459 68 1HZ LYS 8 1HZ LYS 8 -9.621 4.412 -14.766 69 2HZ LYS 8 2HZ LYS 8 -8.702 5.825 -14.589 70 3HZ LYS 8 3HZ LYS 8 -8.058 4.495 -15.426 71 H THR 9 H THR 9 -9.250 3.191 -8.471 72 HA THR 9 HA THR 9 -11.383 5.063 -7.831 73 HB THR 9 HB THR 9 -12.371 2.735 -7.050 74 HG1 THR 9 HG1 THR 9 -11.227 1.021 -7.897 75 1HG2 THR 9 1HG2 THR 9 -11.620 3.589 -9.840 76 2HG2 THR 9 2HG2 THR 9 -12.548 2.116 -9.557 77 3HG2 THR 9 3HG2 THR 9 -13.194 3.677 -9.048 78 H GLY 10 H GLY 10 -8.775 3.714 -6.059 79 1HA GLY 10 1HA GLY 10 -8.259 4.547 -3.828 80 2HA GLY 10 2HA GLY 10 -9.989 4.739 -3.540 81 H CYS 11 H CYS 11 -9.649 1.842 -5.101 82 HA CYS 11 HA CYS 11 -10.218 0.306 -2.700 83 1HB CYS 11 1HB CYS 11 -9.850 -0.184 -5.639 84 2HB CYS 11 2HB CYS 11 -9.892 -1.566 -4.543 85 H LYS 12 H LYS 12 -8.769 -0.777 -1.418 86 HA LYS 12 HA LYS 12 -5.988 -0.388 -1.480 87 1HB LYS 12 1HB LYS 12 -6.017 -2.511 -0.052 88 2HB LYS 12 2HB LYS 12 -7.096 -1.221 0.473 89 1HG LYS 12 1HG LYS 12 -8.631 -2.677 -1.346 90 2HG LYS 12 2HG LYS 12 -7.745 -3.912 -0.452 91 1HD LYS 12 1HD LYS 12 -8.487 -2.893 1.679 92 2HD LYS 12 2HD LYS 12 -9.394 -1.680 0.774 93 1HE LYS 12 1HE LYS 12 -10.791 -3.446 -0.232 94 2HE LYS 12 2HE LYS 12 -9.867 -4.683 0.645 95 1HZ LYS 12 1HZ LYS 12 -10.395 -3.165 2.670 96 2HZ LYS 12 2HZ LYS 12 -11.684 -2.624 1.705 97 3HZ LYS 12 3HZ LYS 12 -11.563 -4.267 2.122 98 H LYS 13 H LYS 13 -4.577 -2.663 -1.533 99 HA LYS 13 HA LYS 13 -5.106 -3.911 -4.212 100 1HB LYS 13 1HB LYS 13 -3.382 -2.186 -4.382 101 2HB LYS 13 2HB LYS 13 -2.512 -2.885 -3.016 102 1HG LYS 13 1HG LYS 13 -1.431 -3.649 -5.038 103 2HG LYS 13 2HG LYS 13 -2.300 -5.019 -4.345 104 1HD LYS 13 1HD LYS 13 -3.980 -4.945 -5.972 105 2HD LYS 13 2HD LYS 13 -3.658 -3.256 -6.368 106 1HE LYS 13 1HE LYS 13 -1.822 -5.597 -6.995 107 2HE LYS 13 2HE LYS 13 -2.805 -4.700 -8.170 108 1HZ LYS 13 1HZ LYS 13 -1.646 -2.670 -7.016 109 2HZ LYS 13 2HZ LYS 13 -0.446 -3.820 -6.664 110 3HZ LYS 13 3HZ LYS 13 -0.877 -3.503 -8.277 111 H THR 14 H THR 14 -5.883 -5.859 -3.221 112 HA THR 14 HA THR 14 -4.536 -7.226 -1.076 113 HB THR 14 HB THR 14 -6.192 -8.553 -3.215 114 HG1 THR 14 HG1 THR 14 -8.008 -7.629 -2.307 115 1HG2 THR 14 1HG2 THR 14 -5.201 -9.576 -0.982 116 2HG2 THR 14 2HG2 THR 14 -6.596 -8.776 -0.259 117 3HG2 THR 14 3HG2 THR 14 -6.830 -9.991 -1.515 118 H CYS 15 H CYS 15 -2.937 -8.831 -1.161 119 HA CYS 15 HA CYS 15 -1.807 -9.461 -3.870 120 1HB CYS 15 1HB CYS 15 0.384 -9.165 -2.923 121 2HB CYS 15 2HB CYS 15 -0.572 -7.775 -2.408 122 H TYR 16 H TYR 16 -0.610 -11.538 -3.919 123 HA TYR 16 HA TYR 16 -1.780 -13.528 -2.013 124 1HB TYR 16 1HB TYR 16 -0.642 -13.717 -4.821 125 2HB TYR 16 2HB TYR 16 -1.206 -15.108 -3.893 126 HD1 TYR 16 HD1 TYR 16 -3.571 -14.053 -2.515 127 HD2 TYR 16 HD2 TYR 16 -2.219 -13.407 -6.541 128 HE1 TYR 16 HE1 TYR 16 -5.901 -13.581 -3.222 129 HE2 TYR 16 HE2 TYR 16 -4.548 -12.934 -7.248 130 HH TYR 16 HH TYR 16 -7.263 -13.369 -5.034 131 H LYS 17 H LYS 17 0.728 -11.770 -1.719 132 HA LYS 17 HA LYS 17 2.591 -14.015 -1.050 133 1HB LYS 17 1HB LYS 17 3.100 -11.497 -2.653 134 2HB LYS 17 2HB LYS 17 4.410 -12.432 -1.931 135 1HG LYS 17 1HG LYS 17 2.864 -14.366 -3.189 136 2HG LYS 17 2HG LYS 17 2.818 -13.009 -4.315 137 1HD LYS 17 1HD LYS 17 4.762 -14.226 -4.925 138 2HD LYS 17 2HD LYS 17 5.364 -12.862 -3.980 139 1HE LYS 17 1HE LYS 17 6.457 -14.459 -2.763 140 2HE LYS 17 2HE LYS 17 4.871 -14.765 -2.027 141 1HZ LYS 17 1HZ LYS 17 5.632 -15.974 -4.616 142 2HZ LYS 17 2HZ LYS 17 6.033 -16.725 -3.149 143 3HZ LYS 17 3HZ LYS 17 4.403 -16.451 -3.545 144 H LEU 18 H LEU 18 2.369 -13.775 1.202 145 HA LEU 18 HA LEU 18 2.292 -11.173 2.514 146 1HB LEU 18 1HB LEU 18 2.670 -14.040 3.426 147 2HB LEU 18 2HB LEU 18 2.532 -12.683 4.545 148 HG LEU 18 HG LEU 18 0.455 -13.212 2.416 149 1HD1 LEU 18 1HD1 LEU 18 0.708 -15.209 3.905 150 2HD1 LEU 18 2HD1 LEU 18 0.417 -14.164 5.295 151 3HD1 LEU 18 3HD1 LEU 18 -0.851 -14.405 4.093 152 1HD2 LEU 18 1HD2 LEU 18 0.737 -11.486 4.856 153 2HD2 LEU 18 2HD2 LEU 18 0.117 -11.066 3.260 154 3HD2 LEU 18 3HD2 LEU 18 -0.870 -12.022 4.365 155 H GLY 19 H GLY 19 3.985 -10.580 4.177 156 1HA GLY 19 1HA GLY 19 6.223 -10.321 4.889 157 2HA GLY 19 2HA GLY 19 6.637 -11.747 3.944 158 H GLU 20 H GLU 20 8.550 -10.424 3.392 159 HA GLU 20 HA GLU 20 8.639 -8.005 2.010 160 1HB GLU 20 1HB GLU 20 10.203 -10.573 1.601 161 2HB GLU 20 2HB GLU 20 10.704 -9.002 0.974 162 1HG GLU 20 1HG GLU 20 10.064 -9.312 3.895 163 2HG GLU 20 2HG GLU 20 11.642 -9.806 3.284 164 H ASN 21 H ASN 21 6.680 -7.919 0.667 165 HA ASN 21 HA ASN 21 6.585 -9.755 -1.667 166 1HB ASN 21 1HB ASN 21 4.588 -9.164 -0.245 167 2HB ASN 21 2HB ASN 21 4.735 -7.504 -0.822 168 1HD2 ASN 21 2HD2 ASN 21 2.441 -9.248 -1.356 169 2HD2 ASN 21 1HD2 ASN 21 2.371 -9.477 -3.037 170 H ASP 22 H ASP 22 8.432 -8.921 -2.848 171 HA ASP 22 HA ASP 22 9.191 -6.335 -3.442 172 1HB ASP 22 1HB ASP 22 8.875 -8.642 -5.396 173 2HB ASP 22 2HB ASP 22 9.996 -7.291 -5.562 174 H PHE 23 H PHE 23 6.636 -8.166 -5.184 175 HA PHE 23 HA PHE 23 5.802 -6.288 -7.053 176 1HB PHE 23 1HB PHE 23 4.854 -8.646 -5.895 177 2HB PHE 23 2HB PHE 23 3.570 -7.479 -5.578 178 HD1 PHE 23 HD1 PHE 23 5.666 -8.982 -8.262 179 HD2 PHE 23 HD2 PHE 23 2.174 -6.660 -7.330 180 HE1 PHE 23 HE1 PHE 23 4.922 -9.152 -10.621 181 HE2 PHE 23 HE2 PHE 23 1.431 -6.832 -9.690 182 HZ PHE 23 HZ PHE 23 2.805 -8.078 -11.335 183 H CYS 24 H CYS 24 5.206 -6.314 -3.563 184 HA CYS 24 HA CYS 24 3.469 -3.952 -3.621 185 1HB CYS 24 1HB CYS 24 3.577 -5.950 -1.949 186 2HB CYS 24 2HB CYS 24 4.945 -5.089 -1.242 187 H ASN 25 H ASN 25 6.877 -4.699 -3.086 188 HA ASN 25 HA ASN 25 7.688 -2.145 -2.042 189 1HB ASN 25 1HB ASN 25 8.882 -4.439 -2.112 190 2HB ASN 25 2HB ASN 25 9.336 -4.010 -3.761 191 1HD2 ASN 25 2HD2 ASN 25 10.911 -4.198 -1.072 192 2HD2 ASN 25 1HD2 ASN 25 11.777 -2.741 -1.031 193 H ARG 26 H ARG 26 7.651 -3.502 -5.352 194 HA ARG 26 HA ARG 26 8.645 -1.107 -6.629 195 1HB ARG 26 1HB ARG 26 7.573 -3.760 -7.320 196 2HB ARG 26 2HB ARG 26 7.195 -2.518 -8.515 197 1HG ARG 26 1HG ARG 26 9.660 -1.857 -8.410 198 2HG ARG 26 2HG ARG 26 9.923 -3.351 -7.510 199 1HD ARG 26 1HD ARG 26 8.642 -4.480 -9.502 200 2HD ARG 26 2HD ARG 26 9.083 -3.004 -10.380 201 HE ARG 26 HE ARG 26 11.421 -3.780 -9.066 202 1HH1 ARG 26 1HH1 ARG 26 9.180 -5.171 -11.295 203 2HH1 ARG 26 2HH1 ARG 26 10.361 -6.191 -12.045 204 1HH2 ARG 26 1HH2 ARG 26 12.972 -5.094 -10.042 205 2HH2 ARG 26 2HH2 ARG 26 12.508 -6.145 -11.338 206 H GLU 27 H GLU 27 5.421 -2.320 -5.797 207 HA GLU 27 HA GLU 27 3.972 -0.272 -7.282 208 1HB GLU 27 1HB GLU 27 3.159 -2.572 -6.587 209 2HB GLU 27 2HB GLU 27 3.089 -1.972 -4.929 210 1HG GLU 27 1HG GLU 27 1.688 -0.017 -6.041 211 2HG GLU 27 2HG GLU 27 1.391 -1.233 -7.285 212 H CYS 28 H CYS 28 5.146 -0.674 -3.961 213 HA CYS 28 HA CYS 28 3.834 1.744 -2.967 214 1HB CYS 28 1HB CYS 28 4.441 -0.313 -1.635 215 2HB CYS 28 2HB CYS 28 6.138 0.122 -1.834 216 H LYS 29 H LYS 29 7.045 0.846 -4.181 217 HA LYS 29 HA LYS 29 8.236 3.446 -3.561 218 1HB LYS 29 1HB LYS 29 9.382 1.171 -3.719 219 2HB LYS 29 2HB LYS 29 9.192 1.293 -5.469 220 1HG LYS 29 1HG LYS 29 11.082 2.511 -5.537 221 2HG LYS 29 2HG LYS 29 10.246 3.774 -4.633 222 1HD LYS 29 1HD LYS 29 11.717 3.401 -2.964 223 2HD LYS 29 2HD LYS 29 10.896 1.862 -2.701 224 1HE LYS 29 1HE LYS 29 12.801 0.799 -3.307 225 2HE LYS 29 2HE LYS 29 12.640 1.504 -4.928 226 1HZ LYS 29 1HZ LYS 29 13.646 3.125 -2.678 227 2HZ LYS 29 2HZ LYS 29 14.703 2.109 -3.535 228 3HZ LYS 29 3HZ LYS 29 13.878 3.356 -4.342 229 H TRP 30 H TRP 30 5.929 3.998 -4.967 230 HA TRP 30 HA TRP 30 6.838 4.570 -7.766 231 1HB TRP 30 1HB TRP 30 4.369 3.676 -6.468 232 2HB TRP 30 2HB TRP 30 4.100 5.029 -7.566 233 HD1 TRP 30 HD1 TRP 30 3.786 1.565 -7.757 234 HE1 TRP 30 HE1 TRP 30 4.392 0.591 -10.066 235 HE3 TRP 30 HE3 TRP 30 6.413 5.486 -9.714 236 HZ2 TRP 30 HZ2 TRP 30 5.802 1.368 -12.429 237 HZ3 TRP 30 HZ3 TRP 30 7.375 5.340 -11.995 238 HH2 TRP 30 HH2 TRP 30 7.073 3.288 -13.352 239 H LYS 31 H LYS 31 4.204 6.129 -5.998 240 HA LYS 31 HA LYS 31 5.170 8.785 -6.718 241 1HB LYS 31 1HB LYS 31 2.926 7.704 -4.987 242 2HB LYS 31 2HB LYS 31 3.145 9.423 -5.321 243 1HG LYS 31 1HG LYS 31 3.307 8.397 -7.840 244 2HG LYS 31 2HG LYS 31 2.174 7.267 -7.098 245 1HD LYS 31 1HD LYS 31 0.682 9.042 -6.475 246 2HD LYS 31 2HD LYS 31 1.869 10.274 -6.912 247 1HE LYS 31 1HE LYS 31 1.235 10.218 -9.091 248 2HE LYS 31 2HE LYS 31 1.322 8.446 -9.132 249 1HZ LYS 31 1HZ LYS 31 -0.821 9.689 -7.573 250 2HZ LYS 31 2HZ LYS 31 -0.979 9.687 -9.266 251 3HZ LYS 31 3HZ LYS 31 -0.818 8.220 -8.428 252 H HIS 32 H HIS 32 6.534 10.044 -5.499 253 HA HIS 32 HA HIS 32 7.698 10.873 -3.606 254 1HB HIS 32 1HB HIS 32 5.181 9.952 -2.732 255 2HB HIS 32 2HB HIS 32 6.346 9.265 -1.598 256 HD1 HIS 32 HD1 HIS 32 8.102 11.072 -0.556 257 HD2 HIS 32 HD2 HIS 32 4.649 12.640 -2.284 258 HE1 HIS 32 HE1 HIS 32 7.894 13.451 0.290 259 H ILE 33 H ILE 33 9.220 10.000 -1.874 260 HA ILE 33 HA ILE 33 9.884 7.111 -2.302 261 HB ILE 33 HB ILE 33 11.470 9.600 -2.792 262 1HG1 ILE 33 1HG1 ILE 33 12.405 7.652 -4.449 263 2HG1 ILE 33 2HG1 ILE 33 10.773 7.057 -4.148 264 1HG2 ILE 33 1HG2 ILE 33 12.750 8.431 -1.020 265 2HG2 ILE 33 2HG2 ILE 33 12.715 6.952 -1.980 266 3HG2 ILE 33 3HG2 ILE 33 13.590 8.365 -2.569 267 1HD1 ILE 33 1HD1 ILE 33 9.975 9.437 -4.685 268 2HD1 ILE 33 2HD1 ILE 33 11.598 9.720 -5.315 269 3HD1 ILE 33 3HD1 ILE 33 10.572 8.483 -6.043 270 H GLY 34 H GLY 34 9.193 9.519 -0.090 271 1HA GLY 34 1HA GLY 34 11.081 9.196 1.978 272 2HA GLY 34 2HA GLY 34 9.383 9.584 2.253 273 H GLY 35 H GLY 35 8.635 6.998 0.834 274 1HA GLY 35 1HA GLY 35 8.228 5.365 3.096 275 2HA GLY 35 2HA GLY 35 8.191 4.772 1.436 276 H SER 36 H SER 36 9.318 3.473 3.857 277 HA SER 36 HA SER 36 12.124 3.134 2.853 278 1HB SER 36 1HB SER 36 12.270 2.609 5.533 279 2HB SER 36 2HB SER 36 12.613 4.181 4.817 280 HG SER 36 HG SER 36 10.868 3.784 6.601 281 H TYR 37 H TYR 37 9.255 1.670 4.293 282 HA TYR 37 HA TYR 37 10.406 -1.033 3.684 283 1HB TYR 37 1HB TYR 37 10.431 -0.340 6.120 284 2HB TYR 37 2HB TYR 37 8.670 -0.282 6.051 285 HD1 TYR 37 HD1 TYR 37 11.342 -2.626 4.818 286 HD2 TYR 37 HD2 TYR 37 7.635 -2.152 6.935 287 HE1 TYR 37 HE1 TYR 37 11.239 -5.077 5.188 288 HE2 TYR 37 HE2 TYR 37 7.529 -4.601 7.303 289 HH TYR 37 HH TYR 37 10.182 -6.654 6.773 290 H GLY 38 H GLY 38 9.094 -2.012 2.181 291 1HA GLY 38 1HA GLY 38 6.158 -1.482 2.358 292 2HA GLY 38 2HA GLY 38 6.984 -1.482 0.800 293 H TYR 39 H TYR 39 5.387 -3.419 3.092 294 HA TYR 39 HA TYR 39 6.011 -5.846 1.476 295 1HB TYR 39 1HB TYR 39 6.587 -7.099 3.435 296 2HB TYR 39 2HB TYR 39 7.479 -5.585 3.563 297 HD1 TYR 39 HD1 TYR 39 6.165 -3.619 4.781 298 HD2 TYR 39 HD2 TYR 39 5.328 -7.804 5.267 299 HE1 TYR 39 HE1 TYR 39 5.050 -3.144 6.945 300 HE2 TYR 39 HE2 TYR 39 4.215 -7.330 7.432 301 HH TYR 39 HH TYR 39 3.061 -4.597 8.339 302 H CYS 40 H CYS 40 4.343 -7.573 1.868 303 HA CYS 40 HA CYS 40 1.685 -6.348 2.221 304 1HB CYS 40 1HB CYS 40 2.897 -8.470 0.757 305 2HB CYS 40 2HB CYS 40 1.635 -9.177 1.766 306 H TYR 41 H TYR 41 0.192 -6.952 3.802 307 HA TYR 41 HA TYR 41 0.991 -8.926 5.882 308 1HB TYR 41 1HB TYR 41 1.864 -6.940 6.823 309 2HB TYR 41 2HB TYR 41 0.547 -5.956 6.187 310 HD1 TYR 41 HD1 TYR 41 0.315 -9.227 7.972 311 HD2 TYR 41 HD2 TYR 41 -0.392 -4.992 8.139 312 HE1 TYR 41 HE1 TYR 41 -0.939 -9.518 10.092 313 HE2 TYR 41 HE2 TYR 41 -1.644 -5.284 10.259 314 HH TYR 41 HH TYR 41 -1.707 -6.969 12.137 315 H GLY 42 H GLY 42 -0.801 -10.271 5.585 316 1HA GLY 42 1HA GLY 42 -3.067 -10.857 6.045 317 2HA GLY 42 2HA GLY 42 -3.443 -9.143 6.242 318 H PHE 43 H PHE 43 -1.790 -10.645 3.504 319 HA PHE 43 HA PHE 43 -2.331 -10.681 1.213 320 1HB PHE 43 1HB PHE 43 -4.958 -10.952 2.666 321 2HB PHE 43 2HB PHE 43 -4.914 -10.919 0.904 322 HD1 PHE 43 HD1 PHE 43 -3.821 -12.760 3.924 323 HD2 PHE 43 HD2 PHE 43 -3.965 -12.748 -0.371 324 HE1 PHE 43 HE1 PHE 43 -3.147 -15.147 3.893 325 HE2 PHE 43 HE2 PHE 43 -3.290 -15.135 -0.399 326 HZ PHE 43 HZ PHE 43 -2.882 -16.334 1.732 327 H GLY 44 H GLY 44 -1.698 -8.159 2.132 328 1HA GLY 44 1HA GLY 44 -3.222 -6.465 0.299 329 2HA GLY 44 2HA GLY 44 -3.421 -6.025 1.996 330 H CYS 45 H CYS 45 -2.006 -4.595 -0.267 331 HA CYS 45 HA CYS 45 0.843 -4.730 0.256 332 1HB CYS 45 1HB CYS 45 -1.019 -3.439 -1.501 333 2HB CYS 45 2HB CYS 45 0.038 -2.206 -0.814 334 H TYR 46 H TYR 46 1.902 -3.841 1.997 335 HA TYR 46 HA TYR 46 0.568 -1.579 3.448 336 1HB TYR 46 1HB TYR 46 0.570 -3.988 4.431 337 2HB TYR 46 2HB TYR 46 2.284 -3.701 4.728 338 HD1 TYR 46 HD1 TYR 46 -0.914 -1.772 5.063 339 HD2 TYR 46 HD2 TYR 46 2.789 -2.955 6.882 340 HE1 TYR 46 HE1 TYR 46 -1.506 -0.482 7.098 341 HE2 TYR 46 HE2 TYR 46 2.199 -1.666 8.919 342 HH TYR 46 HH TYR 46 -0.666 -0.786 9.769 343 H CYS 47 H CYS 47 1.878 0.206 3.578 344 HA CYS 47 HA CYS 47 4.819 -0.160 3.124 345 1HB CYS 47 1HB CYS 47 2.937 2.178 2.678 346 2HB CYS 47 2HB CYS 47 4.673 2.226 2.374 347 H GLU 48 H GLU 48 6.217 0.584 4.725 348 HA GLU 48 HA GLU 48 4.978 2.036 7.043 349 1HB GLU 48 1HB GLU 48 5.678 -0.551 7.058 350 2HB GLU 48 2HB GLU 48 7.261 0.145 7.406 351 1HG GLU 48 1HG GLU 48 5.959 1.569 9.172 352 2HG GLU 48 2HG GLU 48 4.731 0.312 9.019 353 H GLY 49 H GLY 49 6.054 3.903 7.569 354 1HA GLY 49 1HA GLY 49 8.269 4.921 8.120 355 2HA GLY 49 2HA GLY 49 8.887 4.180 6.646 356 H LEU 50 H LEU 50 5.899 5.126 5.756 357 HA LEU 50 HA LEU 50 6.951 7.680 4.646 358 1HB LEU 50 1HB LEU 50 4.868 7.357 3.172 359 2HB LEU 50 2HB LEU 50 6.156 6.172 2.986 360 HG LEU 50 HG LEU 50 4.191 5.505 5.079 361 1HD1 LEU 50 1HD1 LEU 50 3.307 6.313 2.418 362 2HD1 LEU 50 2HD1 LEU 50 2.884 4.638 2.773 363 3HD1 LEU 50 3HD1 LEU 50 2.347 5.929 3.847 364 1HD2 LEU 50 1HD2 LEU 50 6.000 3.999 4.268 365 2HD2 LEU 50 2HD2 LEU 50 4.402 3.296 4.024 366 3HD2 LEU 50 3HD2 LEU 50 5.267 4.010 2.664 367 HA PRO 51 HA PRO 51 4.436 9.834 7.656 368 1HB PRO 51 1HB PRO 51 4.608 12.225 6.080 369 2HB PRO 51 2HB PRO 51 5.533 11.814 7.528 370 1HG PRO 51 1HG PRO 51 6.461 11.936 4.809 371 2HG PRO 51 2HG PRO 51 7.389 11.555 6.262 372 1HD PRO 51 1HD PRO 51 6.574 9.751 4.166 373 2HD PRO 51 2HD PRO 51 7.494 9.365 5.641 374 H ASP 52 H ASP 52 2.369 11.169 7.560 375 HA ASP 52 HA ASP 52 0.372 9.965 5.950 376 1HB ASP 52 1HB ASP 52 0.374 12.749 7.154 377 2HB ASP 52 2HB ASP 52 -1.030 11.724 6.856 378 H SER 53 H SER 53 2.474 12.722 5.324 379 HA SER 53 HA SER 53 1.181 14.120 3.298 380 1HB SER 53 1HB SER 53 3.362 14.805 2.686 381 2HB SER 53 2HB SER 53 3.541 14.312 4.368 382 HG SER 53 HG SER 53 4.836 12.798 3.721 383 H THR 54 H THR 54 2.911 11.019 2.997 384 HA THR 54 HA THR 54 2.610 10.765 0.144 385 HB THR 54 HB THR 54 2.715 8.233 1.510 386 HG1 THR 54 HG1 THR 54 4.558 10.142 2.486 387 1HG2 THR 54 1HG2 THR 54 3.936 9.453 -0.600 388 2HG2 THR 54 2HG2 THR 54 5.220 9.512 0.607 389 3HG2 THR 54 3HG2 THR 54 4.516 7.963 0.145 390 H GLN 55 H GLN 55 1.285 8.853 -0.779 391 HA GLN 55 HA GLN 55 -1.519 9.147 0.134 392 1HB GLN 55 1HB GLN 55 -0.891 9.405 -2.235 393 2HB GLN 55 2HB GLN 55 -0.208 7.779 -2.241 394 1HG GLN 55 1HG GLN 55 -2.313 7.330 -3.092 395 2HG GLN 55 2HG GLN 55 -2.630 7.128 -1.368 396 1HE2 GLN 55 2HE2 GLN 55 -4.275 8.412 -0.507 397 2HE2 GLN 55 1HE2 GLN 55 -4.936 9.778 -1.268 398 H THR 56 H THR 56 -2.549 7.530 1.312 399 HA THR 56 HA THR 56 -1.618 4.736 1.092 400 HB THR 56 HB THR 56 -1.652 5.153 3.834 401 HG1 THR 56 HG1 THR 56 0.116 7.077 3.198 402 1HG2 THR 56 1HG2 THR 56 0.006 4.039 2.031 403 2HG2 THR 56 2HG2 THR 56 0.937 5.488 2.414 404 3HG2 THR 56 3HG2 THR 56 0.495 4.359 3.695 405 H TRP 57 H TRP 57 -3.189 3.255 1.770 406 HA TRP 57 HA TRP 57 -5.942 4.214 2.055 407 1HB TRP 57 1HB TRP 57 -4.762 2.090 0.920 408 2HB TRP 57 2HB TRP 57 -5.039 1.389 2.508 409 HD1 TRP 57 HD1 TRP 57 -7.053 3.229 -0.239 410 HE1 TRP 57 HE1 TRP 57 -9.452 2.291 -0.230 411 HE3 TRP 57 HE3 TRP 57 -6.727 -0.003 3.707 412 HZ2 TRP 57 HZ2 TRP 57 -11.026 0.422 1.248 413 HZ3 TRP 57 HZ3 TRP 57 -8.693 -1.349 4.391 414 HH2 TRP 57 HH2 TRP 57 -10.839 -1.141 3.167 415 HA PRO 58 HA PRO 58 -7.804 3.281 2.873 416 1HB PRO 58 1HB PRO 58 -9.459 4.571 4.761 417 2HB PRO 58 2HB PRO 58 -9.422 2.846 4.385 418 1HG PRO 58 1HG PRO 58 -8.530 4.166 6.790 419 2HG PRO 58 2HG PRO 58 -8.567 2.435 6.441 420 1HD PRO 58 1HD PRO 58 -6.262 4.197 6.534 421 2HD PRO 58 2HD PRO 58 -6.295 2.435 6.278 422 H LEU 59 H LEU 59 -8.328 4.918 1.462 423 HA LEU 59 HA LEU 59 -7.102 7.482 1.525 424 1HB LEU 59 1HB LEU 59 -8.274 7.716 -0.497 425 2HB LEU 59 2HB LEU 59 -8.293 5.974 -0.294 426 HG LEU 59 HG LEU 59 -10.541 7.676 0.782 427 1HD1 LEU 59 1HD1 LEU 59 -9.855 7.102 -1.999 428 2HD1 LEU 59 2HD1 LEU 59 -11.445 6.480 -1.558 429 3HD1 LEU 59 3HD1 LEU 59 -11.079 8.193 -1.351 430 1HD2 LEU 59 1HD2 LEU 59 -10.201 4.771 -0.022 431 2HD2 LEU 59 2HD2 LEU 59 -10.428 5.393 1.612 432 3HD2 LEU 59 3HD2 LEU 59 -11.744 5.486 0.442 433 HA PRO 60 HA PRO 60 -9.527 10.318 3.905 434 1HB PRO 60 1HB PRO 60 -11.242 11.228 1.695 435 2HB PRO 60 2HB PRO 60 -10.080 12.141 2.664 436 1HG PRO 60 1HG PRO 60 -9.715 11.276 0.006 437 2HG PRO 60 2HG PRO 60 -8.471 11.931 1.076 438 1HD PRO 60 1HD PRO 60 -8.722 9.231 0.105 439 2HD PRO 60 2HD PRO 60 -7.465 9.884 1.178 440 H ASN 61 H ASN 61 -11.989 10.927 4.369 441 HA ASN 61 HA ASN 61 -13.406 8.698 5.236 442 1HB ASN 61 1HB ASN 61 -13.930 11.539 4.626 443 2HB ASN 61 2HB ASN 61 -15.374 10.527 4.640 444 1HD2 ASN 61 2HD2 ASN 61 -12.392 10.976 6.640 445 2HD2 ASN 61 1HD2 ASN 61 -13.196 10.813 8.126 446 H LYS 62 H LYS 62 -13.258 10.062 2.024 447 HA LYS 62 HA LYS 62 -15.588 8.712 0.940 448 1HB LYS 62 1HB LYS 62 -13.169 10.175 -0.055 449 2HB LYS 62 2HB LYS 62 -14.107 9.230 -1.213 450 1HG LYS 62 1HG LYS 62 -16.173 10.438 -0.255 451 2HG LYS 62 2HG LYS 62 -15.024 11.561 0.473 452 1HD LYS 62 1HD LYS 62 -14.921 12.655 -1.489 453 2HD LYS 62 2HD LYS 62 -14.201 11.216 -2.211 454 1HE LYS 62 1HE LYS 62 -17.086 10.910 -1.897 455 2HE LYS 62 2HE LYS 62 -16.675 12.310 -2.907 456 1HZ LYS 62 1HZ LYS 62 -15.323 9.695 -3.215 457 2HZ LYS 62 2HZ LYS 62 -16.745 10.071 -4.066 458 3HZ LYS 62 3HZ LYS 62 -15.345 11.000 -4.302 459 H THR 63 H THR 63 -15.611 6.461 1.085 460 HA THR 63 HA THR 63 -13.334 4.753 1.111 461 HB THR 63 HB THR 63 -15.659 4.186 1.804 462 HG1 THR 63 HG1 THR 63 -14.062 2.588 1.115 463 1HG2 THR 63 1HG2 THR 63 -16.225 5.091 -0.842 464 2HG2 THR 63 2HG2 THR 63 -16.709 3.398 -0.728 465 3HG2 THR 63 3HG2 THR 63 -17.367 4.581 0.403 466 H CYS 64 H CYS 64 -13.623 2.876 -0.842 467 HA CYS 64 HA CYS 64 -12.426 4.186 -3.164 468 1HB CYS 64 1HB CYS 64 -11.583 2.057 -2.451 469 2HB CYS 64 2HB CYS 64 -13.196 1.350 -2.430 Start of MODEL 2 1 1H LYS 1 1H LYS 1 6.137 4.917 10.277 2 2H LYS 1 2H LYS 1 6.006 6.504 9.686 3 3H LYS 1 3H LYS 1 5.953 6.217 11.355 4 HA LYS 1 HA LYS 1 3.803 5.439 11.317 5 1HB LYS 1 1HB LYS 1 4.027 7.814 10.623 6 2HB LYS 1 2HB LYS 1 4.076 7.302 8.935 7 1HG LYS 1 1HG LYS 1 1.827 6.194 9.313 8 2HG LYS 1 2HG LYS 1 1.774 7.004 10.879 9 1HD LYS 1 1HD LYS 1 0.924 8.807 9.827 10 2HD LYS 1 2HD LYS 1 2.494 9.007 9.048 11 1HE LYS 1 1HE LYS 1 1.197 6.939 7.619 12 2HE LYS 1 2HE LYS 1 -0.013 8.218 7.842 13 1HZ LYS 1 1HZ LYS 1 1.699 9.836 7.163 14 2HZ LYS 1 2HZ LYS 1 2.753 8.554 6.811 15 3HZ LYS 1 3HZ LYS 1 1.316 8.742 5.927 16 H ASP 2 H ASP 2 2.706 3.645 10.624 17 HA ASP 2 HA ASP 2 3.444 2.348 8.086 18 1HB ASP 2 1HB ASP 2 1.391 1.669 10.222 19 2HB ASP 2 2HB ASP 2 1.967 0.578 8.962 20 H GLY 3 H GLY 3 1.981 2.050 6.320 21 1HA GLY 3 1HA GLY 3 -0.706 3.248 6.489 22 2HA GLY 3 2HA GLY 3 0.408 4.030 5.366 23 H TYR 4 H TYR 4 -1.485 3.227 3.921 24 HA TYR 4 HA TYR 4 -0.669 0.595 2.743 25 1HB TYR 4 1HB TYR 4 -3.172 1.379 4.060 26 2HB TYR 4 2HB TYR 4 -3.423 0.756 2.431 27 HD1 TYR 4 HD1 TYR 4 -1.689 -1.356 1.945 28 HD2 TYR 4 HD2 TYR 4 -3.400 -0.216 5.714 29 HE1 TYR 4 HE1 TYR 4 -1.404 -3.676 2.776 30 HE2 TYR 4 HE2 TYR 4 -3.122 -2.535 6.543 31 HH TYR 4 HH TYR 4 -2.111 -4.521 6.137 32 H LEU 5 H LEU 5 -0.660 0.693 0.475 33 HA LEU 5 HA LEU 5 -1.189 3.297 -0.773 34 1HB LEU 5 1HB LEU 5 -0.210 0.587 -1.673 35 2HB LEU 5 2HB LEU 5 -0.497 1.892 -2.824 36 HG LEU 5 HG LEU 5 1.110 2.530 -0.393 37 1HD1 LEU 5 1HD1 LEU 5 1.849 0.272 -1.514 38 2HD1 LEU 5 2HD1 LEU 5 2.471 1.330 -2.783 39 3HD1 LEU 5 3HD1 LEU 5 3.061 1.493 -1.130 40 1HD2 LEU 5 1HD2 LEU 5 0.500 4.226 -2.114 41 2HD2 LEU 5 2HD2 LEU 5 2.246 4.003 -1.994 42 3HD2 LEU 5 3HD2 LEU 5 1.352 3.273 -3.328 43 H VAL 6 H VAL 6 -3.044 3.826 -1.846 44 HA VAL 6 HA VAL 6 -5.267 1.876 -1.883 45 HB VAL 6 HB VAL 6 -6.584 3.850 -2.479 46 1HG1 VAL 6 1HG1 VAL 6 -4.929 3.609 -0.166 47 2HG1 VAL 6 2HG1 VAL 6 -5.061 5.318 -0.577 48 3HG1 VAL 6 3HG1 VAL 6 -6.517 4.362 -0.301 49 1HG2 VAL 6 1HG2 VAL 6 -3.894 5.239 -2.704 50 2HG2 VAL 6 2HG2 VAL 6 -4.969 4.857 -4.051 51 3HG2 VAL 6 3HG2 VAL 6 -5.466 6.028 -2.829 52 H GLU 7 H GLU 7 -6.681 2.350 -4.096 53 HA GLU 7 HA GLU 7 -4.807 2.078 -6.417 54 1HB GLU 7 1HB GLU 7 -5.809 -0.083 -5.370 55 2HB GLU 7 2HB GLU 7 -7.329 0.451 -6.094 56 1HG GLU 7 1HG GLU 7 -6.622 0.026 -8.217 57 2HG GLU 7 2HG GLU 7 -4.976 0.562 -7.880 58 H LYS 8 H LYS 8 -6.225 2.190 -8.535 59 HA LYS 8 HA LYS 8 -7.345 4.704 -8.877 60 1HB LYS 8 1HB LYS 8 -7.603 2.030 -10.176 61 2HB LYS 8 2HB LYS 8 -8.751 3.274 -10.673 62 1HG LYS 8 1HG LYS 8 -7.124 4.590 -11.628 63 2HG LYS 8 2HG LYS 8 -5.889 4.078 -10.479 64 1HD LYS 8 1HD LYS 8 -6.267 1.731 -11.706 65 2HD LYS 8 2HD LYS 8 -6.755 2.794 -13.028 66 1HE LYS 8 1HE LYS 8 -4.375 3.887 -11.859 67 2HE LYS 8 2HE LYS 8 -4.093 2.167 -12.202 68 1HZ LYS 8 1HZ LYS 8 -5.586 3.712 -14.182 69 2HZ LYS 8 2HZ LYS 8 -3.913 3.999 -14.084 70 3HZ LYS 8 3HZ LYS 8 -4.488 2.436 -14.408 71 H THR 9 H THR 9 -9.249 1.714 -8.303 72 HA THR 9 HA THR 9 -11.769 3.015 -7.979 73 HB THR 9 HB THR 9 -12.371 0.836 -6.942 74 HG1 THR 9 HG1 THR 9 -9.610 0.764 -6.666 75 1HG2 THR 9 1HG2 THR 9 -10.543 0.774 -9.349 76 2HG2 THR 9 2HG2 THR 9 -11.486 -0.620 -8.826 77 3HG2 THR 9 3HG2 THR 9 -12.304 0.856 -9.337 78 H GLY 10 H GLY 10 -9.033 2.699 -5.850 79 1HA GLY 10 1HA GLY 10 -8.994 4.364 -3.971 80 2HA GLY 10 2HA GLY 10 -10.660 3.894 -3.641 81 H CYS 11 H CYS 11 -10.207 1.040 -4.082 82 HA CYS 11 HA CYS 11 -9.271 0.372 -1.415 83 1HB CYS 11 1HB CYS 11 -10.130 -1.199 -3.858 84 2HB CYS 11 2HB CYS 11 -9.650 -1.991 -2.360 85 H LYS 12 H LYS 12 -7.244 -0.273 -0.817 86 HA LYS 12 HA LYS 12 -4.933 0.110 -2.365 87 1HB LYS 12 1HB LYS 12 -3.912 -1.386 -0.610 88 2HB LYS 12 2HB LYS 12 -4.941 -0.119 0.053 89 1HG LYS 12 1HG LYS 12 -5.746 -1.979 1.203 90 2HG LYS 12 2HG LYS 12 -6.829 -1.953 -0.187 91 1HD LYS 12 1HD LYS 12 -5.722 -3.718 -1.254 92 2HD LYS 12 2HD LYS 12 -4.245 -3.483 -0.320 93 1HE LYS 12 1HE LYS 12 -5.545 -5.504 0.415 94 2HE LYS 12 2HE LYS 12 -5.373 -4.306 1.711 95 1HZ LYS 12 1HZ LYS 12 -7.604 -3.728 0.027 96 2HZ LYS 12 2HZ LYS 12 -7.740 -5.279 0.708 97 3HZ LYS 12 3HZ LYS 12 -7.555 -3.926 1.714 98 H LYS 13 H LYS 13 -3.390 -2.122 -2.413 99 HA LYS 13 HA LYS 13 -4.772 -3.852 -4.426 100 1HB LYS 13 1HB LYS 13 -2.501 -2.381 -4.623 101 2HB LYS 13 2HB LYS 13 -1.821 -3.906 -4.050 102 1HG LYS 13 1HG LYS 13 -3.634 -3.572 -6.461 103 2HG LYS 13 2HG LYS 13 -1.896 -3.863 -6.512 104 1HD LYS 13 1HD LYS 13 -2.869 -5.877 -4.841 105 2HD LYS 13 2HD LYS 13 -4.071 -5.765 -6.129 106 1HE LYS 13 1HE LYS 13 -2.667 -6.863 -7.522 107 2HE LYS 13 2HE LYS 13 -1.463 -5.576 -7.315 108 1HZ LYS 13 1HZ LYS 13 -0.923 -6.623 -5.126 109 2HZ LYS 13 2HZ LYS 13 -1.880 -7.951 -5.586 110 3HZ LYS 13 3HZ LYS 13 -0.492 -7.558 -6.478 111 H THR 14 H THR 14 -5.394 -5.809 -3.620 112 HA THR 14 HA THR 14 -4.262 -6.887 -1.142 113 HB THR 14 HB THR 14 -6.199 -8.002 -3.202 114 HG1 THR 14 HG1 THR 14 -6.766 -6.014 -2.092 115 1HG2 THR 14 1HG2 THR 14 -5.245 -8.950 -0.525 116 2HG2 THR 14 2HG2 THR 14 -6.923 -9.248 -0.981 117 3HG2 THR 14 3HG2 THR 14 -5.612 -9.884 -1.976 118 H CYS 15 H CYS 15 -3.031 -8.856 -1.010 119 HA CYS 15 HA CYS 15 -1.843 -9.791 -3.600 120 1HB CYS 15 1HB CYS 15 0.213 -10.132 -1.893 121 2HB CYS 15 2HB CYS 15 -0.036 -8.627 -2.770 122 H TYR 16 H TYR 16 -1.795 -11.985 -3.834 123 HA TYR 16 HA TYR 16 -3.044 -13.679 -1.794 124 1HB TYR 16 1HB TYR 16 -1.833 -14.096 -4.539 125 2HB TYR 16 2HB TYR 16 -2.547 -15.412 -3.607 126 HD1 TYR 16 HD1 TYR 16 -3.283 -12.026 -5.002 127 HD2 TYR 16 HD2 TYR 16 -4.875 -15.758 -3.593 128 HE1 TYR 16 HE1 TYR 16 -5.543 -11.350 -5.764 129 HE2 TYR 16 HE2 TYR 16 -7.137 -15.082 -4.356 130 HH TYR 16 HH TYR 16 -8.369 -13.030 -4.843 131 H LYS 17 H LYS 17 0.153 -12.661 -2.508 132 HA LYS 17 HA LYS 17 1.321 -15.055 -1.138 133 1HB LYS 17 1HB LYS 17 2.339 -12.964 -3.066 134 2HB LYS 17 2HB LYS 17 3.453 -13.987 -2.156 135 1HG LYS 17 1HG LYS 17 3.118 -15.670 -3.607 136 2HG LYS 17 2HG LYS 17 1.391 -15.647 -3.247 137 1HD LYS 17 1HD LYS 17 2.427 -13.504 -5.040 138 2HD LYS 17 2HD LYS 17 2.334 -15.135 -5.706 139 1HE LYS 17 1HE LYS 17 -0.085 -15.141 -4.684 140 2HE LYS 17 2HE LYS 17 0.102 -13.377 -4.708 141 1HZ LYS 17 1HZ LYS 17 1.129 -14.147 -7.098 142 2HZ LYS 17 2HZ LYS 17 -0.179 -15.211 -6.911 143 3HZ LYS 17 3HZ LYS 17 -0.436 -13.533 -6.860 144 H LEU 18 H LEU 18 1.277 -14.553 1.057 145 HA LEU 18 HA LEU 18 1.691 -11.872 2.091 146 1HB LEU 18 1HB LEU 18 1.831 -14.613 3.392 147 2HB LEU 18 2HB LEU 18 1.669 -13.082 4.251 148 HG LEU 18 HG LEU 18 -0.319 -14.320 2.330 149 1HD1 LEU 18 1HD1 LEU 18 -0.344 -13.654 5.286 150 2HD1 LEU 18 2HD1 LEU 18 -1.797 -14.076 4.377 151 3HD1 LEU 18 3HD1 LEU 18 -0.489 -15.248 4.547 152 1HD2 LEU 18 1HD2 LEU 18 -0.129 -11.550 3.522 153 2HD2 LEU 18 2HD2 LEU 18 -0.401 -11.999 1.840 154 3HD2 LEU 18 3HD2 LEU 18 -1.677 -12.237 3.032 155 H GLY 19 H GLY 19 3.532 -11.594 3.812 156 1HA GLY 19 1HA GLY 19 5.829 -11.939 4.450 157 2HA GLY 19 2HA GLY 19 6.028 -12.995 3.051 158 H GLU 20 H GLU 20 8.022 -11.560 2.857 159 HA GLU 20 HA GLU 20 7.832 -8.800 2.123 160 1HB GLU 20 1HB GLU 20 9.799 -10.569 2.704 161 2HB GLU 20 2HB GLU 20 9.960 -10.506 0.947 162 1HG GLU 20 1HG GLU 20 9.869 -7.933 1.235 163 2HG GLU 20 2HG GLU 20 10.213 -8.254 2.935 164 H ASN 21 H ASN 21 5.816 -9.239 0.653 165 HA ASN 21 HA ASN 21 6.276 -10.421 -1.968 166 1HB ASN 21 1HB ASN 21 4.099 -10.169 -0.648 167 2HB ASN 21 2HB ASN 21 4.126 -8.467 -1.108 168 1HD2 ASN 21 2HD2 ASN 21 2.339 -10.868 -1.973 169 2HD2 ASN 21 1HD2 ASN 21 2.363 -10.780 -3.668 170 H ASP 22 H ASP 22 8.105 -9.291 -2.845 171 HA ASP 22 HA ASP 22 8.739 -6.612 -2.912 172 1HB ASP 22 1HB ASP 22 8.878 -8.839 -4.929 173 2HB ASP 22 2HB ASP 22 9.474 -7.236 -5.356 174 H PHE 23 H PHE 23 6.312 -8.200 -5.006 175 HA PHE 23 HA PHE 23 5.625 -6.258 -6.820 176 1HB PHE 23 1HB PHE 23 4.455 -8.519 -5.639 177 2HB PHE 23 2HB PHE 23 3.247 -7.245 -5.473 178 HD1 PHE 23 HD1 PHE 23 5.243 -9.235 -7.846 179 HD2 PHE 23 HD2 PHE 23 2.243 -6.191 -7.426 180 HE1 PHE 23 HE1 PHE 23 4.687 -9.452 -10.252 181 HE2 PHE 23 HE2 PHE 23 1.686 -6.406 -9.831 182 HZ PHE 23 HZ PHE 23 2.908 -8.038 -11.245 183 H CYS 24 H CYS 24 4.369 -6.315 -3.451 184 HA CYS 24 HA CYS 24 2.980 -3.820 -3.611 185 1HB CYS 24 1HB CYS 24 4.263 -5.356 -1.328 186 2HB CYS 24 2HB CYS 24 3.195 -3.974 -1.092 187 H ASN 25 H ASN 25 6.102 -4.480 -1.958 188 HA ASN 25 HA ASN 25 6.905 -1.841 -1.490 189 1HB ASN 25 1HB ASN 25 8.219 -3.595 -0.609 190 2HB ASN 25 2HB ASN 25 8.340 -4.407 -2.170 191 1HD2 ASN 25 2HD2 ASN 25 10.744 -4.369 -1.842 192 2HD2 ASN 25 1HD2 ASN 25 11.606 -2.945 -2.171 193 H ARG 26 H ARG 26 7.411 -3.797 -4.437 194 HA ARG 26 HA ARG 26 8.901 -2.051 -6.023 195 1HB ARG 26 1HB ARG 26 6.822 -4.138 -6.400 196 2HB ARG 26 2HB ARG 26 7.108 -3.092 -7.791 197 1HG ARG 26 1HG ARG 26 9.479 -4.218 -6.351 198 2HG ARG 26 2HG ARG 26 8.564 -5.280 -7.422 199 1HD ARG 26 1HD ARG 26 9.075 -4.019 -9.328 200 2HD ARG 26 2HD ARG 26 9.384 -2.548 -8.389 201 HE ARG 26 HE ARG 26 11.262 -4.386 -7.455 202 1HH1 ARG 26 1HH1 ARG 26 10.332 -3.070 -10.511 203 2HH1 ARG 26 2HH1 ARG 26 11.927 -3.157 -11.177 204 1HH2 ARG 26 1HH2 ARG 26 13.345 -4.505 -8.320 205 2HH2 ARG 26 2HH2 ARG 26 13.626 -3.969 -9.943 206 H GLU 27 H GLU 27 5.353 -2.049 -5.548 207 HA GLU 27 HA GLU 27 4.989 0.367 -7.166 208 1HB GLU 27 1HB GLU 27 3.364 -1.580 -5.595 209 2HB GLU 27 2HB GLU 27 2.658 0.014 -5.857 210 1HG GLU 27 1HG GLU 27 3.776 -0.774 -8.335 211 2HG GLU 27 2HG GLU 27 2.897 -2.173 -7.718 212 H CYS 28 H CYS 28 5.643 -0.388 -3.840 213 HA CYS 28 HA CYS 28 4.627 2.124 -2.736 214 1HB CYS 28 1HB CYS 28 4.832 -0.169 -1.621 215 2HB CYS 28 2HB CYS 28 6.566 0.141 -1.523 216 H LYS 29 H LYS 29 7.544 1.125 -4.305 217 HA LYS 29 HA LYS 29 9.020 3.464 -3.154 218 1HB LYS 29 1HB LYS 29 9.977 1.202 -2.837 219 2HB LYS 29 2HB LYS 29 9.987 0.968 -4.586 220 1HG LYS 29 1HG LYS 29 11.738 2.437 -4.915 221 2HG LYS 29 2HG LYS 29 11.327 3.407 -3.501 222 1HD LYS 29 1HD LYS 29 13.202 2.322 -2.691 223 2HD LYS 29 2HD LYS 29 11.961 1.161 -2.217 224 1HE LYS 29 1HE LYS 29 12.379 0.101 -4.569 225 2HE LYS 29 2HE LYS 29 13.908 1.002 -4.514 226 1HZ LYS 29 1HZ LYS 29 12.979 -0.608 -2.213 227 2HZ LYS 29 2HZ LYS 29 13.882 -1.312 -3.468 228 3HZ LYS 29 3HZ LYS 29 14.546 -0.047 -2.546 229 H TRP 30 H TRP 30 7.167 2.829 -5.802 230 HA TRP 30 HA TRP 30 9.003 3.936 -7.817 231 1HB TRP 30 1HB TRP 30 7.421 3.208 -9.350 232 2HB TRP 30 2HB TRP 30 7.140 2.096 -8.020 233 HD1 TRP 30 HD1 TRP 30 4.969 2.999 -10.231 234 HE1 TRP 30 HE1 TRP 30 2.730 3.972 -9.413 235 HE3 TRP 30 HE3 TRP 30 6.304 4.486 -5.527 236 HZ2 TRP 30 HZ2 TRP 30 1.646 5.213 -7.084 237 HZ3 TRP 30 HZ3 TRP 30 4.646 5.554 -4.033 238 HH2 TRP 30 HH2 TRP 30 2.320 5.922 -4.804 239 H LYS 31 H LYS 31 8.882 5.791 -5.905 240 HA LYS 31 HA LYS 31 7.892 8.141 -7.241 241 1HB LYS 31 1HB LYS 31 6.157 6.710 -5.322 242 2HB LYS 31 2HB LYS 31 6.305 8.440 -5.025 243 1HG LYS 31 1HG LYS 31 5.970 7.871 -7.860 244 2HG LYS 31 2HG LYS 31 4.630 7.233 -6.906 245 1HD LYS 31 1HD LYS 31 4.106 9.521 -7.525 246 2HD LYS 31 2HD LYS 31 4.434 9.473 -5.794 247 1HE LYS 31 1HE LYS 31 6.148 10.933 -6.035 248 2HE LYS 31 2HE LYS 31 6.902 9.898 -7.263 249 1HZ LYS 31 1HZ LYS 31 4.834 10.806 -8.636 250 2HZ LYS 31 2HZ LYS 31 5.055 12.132 -7.601 251 3HZ LYS 31 3HZ LYS 31 6.325 11.614 -8.603 252 H HIS 32 H HIS 32 8.295 10.110 -5.837 253 HA HIS 32 HA HIS 32 10.575 9.571 -4.002 254 1HB HIS 32 1HB HIS 32 10.364 11.267 -6.040 255 2HB HIS 32 2HB HIS 32 9.638 12.301 -4.807 256 HD1 HIS 32 HD1 HIS 32 12.136 13.501 -5.611 257 HD2 HIS 32 HD2 HIS 32 12.164 10.325 -2.912 258 HE1 HIS 32 HE1 HIS 32 14.355 13.613 -4.396 259 H ILE 33 H ILE 33 8.802 8.754 -2.404 260 HA ILE 33 HA ILE 33 7.758 11.096 -0.853 261 HB ILE 33 HB ILE 33 6.104 9.102 -0.117 262 1HG1 ILE 33 1HG1 ILE 33 5.506 7.834 -2.236 263 2HG1 ILE 33 2HG1 ILE 33 7.039 8.379 -2.912 264 1HG2 ILE 33 1HG2 ILE 33 5.444 11.275 -1.059 265 2HG2 ILE 33 2HG2 ILE 33 5.855 10.704 -2.676 266 3HG2 ILE 33 3HG2 ILE 33 4.517 9.967 -1.794 267 1HD1 ILE 33 1HD1 ILE 33 7.405 7.286 -0.247 268 2HD1 ILE 33 2HD1 ILE 33 6.629 6.114 -1.311 269 3HD1 ILE 33 3HD1 ILE 33 8.183 6.817 -1.759 270 H GLY 34 H GLY 34 9.306 7.931 -0.779 271 1HA GLY 34 1HA GLY 34 11.043 7.695 1.029 272 2HA GLY 34 2HA GLY 34 9.829 8.341 2.135 273 H GLY 35 H GLY 35 10.986 5.501 0.554 274 1HA GLY 35 1HA GLY 35 8.724 3.952 1.758 275 2HA GLY 35 2HA GLY 35 9.554 3.453 0.284 276 H SER 36 H SER 36 9.632 3.385 3.732 277 HA SER 36 HA SER 36 12.409 2.343 3.802 278 1HB SER 36 1HB SER 36 12.018 2.520 6.244 279 2HB SER 36 2HB SER 36 11.621 4.026 5.426 280 HG SER 36 HG SER 36 10.066 2.936 7.021 281 H TYR 37 H TYR 37 9.063 1.324 4.477 282 HA TYR 37 HA TYR 37 9.978 -1.519 4.304 283 1HB TYR 37 1HB TYR 37 9.165 -0.087 6.619 284 2HB TYR 37 2HB TYR 37 7.848 -1.190 6.219 285 HD1 TYR 37 HD1 TYR 37 8.385 -3.647 5.834 286 HD2 TYR 37 HD2 TYR 37 11.189 -0.890 7.563 287 HE1 TYR 37 HE1 TYR 37 9.699 -5.548 6.736 288 HE2 TYR 37 HE2 TYR 37 12.502 -2.792 8.466 289 HH TYR 37 HH TYR 37 12.522 -5.643 7.478 290 H GLY 38 H GLY 38 8.584 -2.768 3.066 291 1HA GLY 38 1HA GLY 38 5.771 -2.013 2.739 292 2HA GLY 38 2HA GLY 38 6.743 -1.807 1.281 293 H TYR 39 H TYR 39 4.878 -4.004 3.012 294 HA TYR 39 HA TYR 39 5.710 -6.193 1.201 295 1HB TYR 39 1HB TYR 39 6.066 -7.720 3.117 296 2HB TYR 39 2HB TYR 39 7.178 -6.354 3.180 297 HD1 TYR 39 HD1 TYR 39 6.630 -4.385 4.677 298 HD2 TYR 39 HD2 TYR 39 4.492 -8.106 4.855 299 HE1 TYR 39 HE1 TYR 39 5.769 -3.781 6.923 300 HE2 TYR 39 HE2 TYR 39 3.628 -7.501 7.099 301 HH TYR 39 HH TYR 39 4.878 -5.375 9.036 302 H CYS 40 H CYS 40 4.178 -8.155 1.630 303 HA CYS 40 HA CYS 40 1.426 -7.124 1.681 304 1HB CYS 40 1HB CYS 40 2.284 -8.780 0.037 305 2HB CYS 40 2HB CYS 40 2.566 -9.919 1.354 306 H TYR 41 H TYR 41 0.374 -6.914 3.608 307 HA TYR 41 HA TYR 41 0.866 -8.984 5.726 308 1HB TYR 41 1HB TYR 41 1.845 -6.842 6.348 309 2HB TYR 41 2HB TYR 41 0.357 -5.996 5.923 310 HD1 TYR 41 HD1 TYR 41 1.963 -8.256 8.360 311 HD2 TYR 41 HD2 TYR 41 -1.605 -6.086 7.355 312 HE1 TYR 41 HE1 TYR 41 1.083 -8.642 10.647 313 HE2 TYR 41 HE2 TYR 41 -2.485 -6.472 9.641 314 HH TYR 41 HH TYR 41 -2.024 -8.353 11.494 315 H GLY 42 H GLY 42 -0.978 -10.248 5.644 316 1HA GLY 42 1HA GLY 42 -3.259 -10.770 5.904 317 2HA GLY 42 2HA GLY 42 -3.547 -9.070 6.285 318 H PHE 43 H PHE 43 -2.095 -10.450 3.352 319 HA PHE 43 HA PHE 43 -2.735 -10.251 1.091 320 1HB PHE 43 1HB PHE 43 -5.396 -10.203 2.544 321 2HB PHE 43 2HB PHE 43 -5.256 -10.313 0.790 322 HD1 PHE 43 HD1 PHE 43 -4.448 -12.012 3.991 323 HD2 PHE 43 HD2 PHE 43 -4.565 -12.333 -0.291 324 HE1 PHE 43 HE1 PHE 43 -4.057 -14.455 4.163 325 HE2 PHE 43 HE2 PHE 43 -4.170 -14.775 -0.119 326 HZ PHE 43 HZ PHE 43 -3.918 -15.837 2.107 327 H GLY 44 H GLY 44 -1.667 -7.963 1.780 328 1HA GLY 44 1HA GLY 44 -3.039 -5.961 0.258 329 2HA GLY 44 2HA GLY 44 -3.226 -5.618 1.979 330 H CYS 45 H CYS 45 -1.551 -4.356 -0.302 331 HA CYS 45 HA CYS 45 1.225 -4.781 0.463 332 1HB CYS 45 1HB CYS 45 -0.203 -2.635 -1.139 333 2HB CYS 45 2HB CYS 45 1.545 -2.856 -1.092 334 H TYR 46 H TYR 46 1.465 -4.279 2.699 335 HA TYR 46 HA TYR 46 0.591 -1.606 3.653 336 1HB TYR 46 1HB TYR 46 0.401 -3.954 4.824 337 2HB TYR 46 2HB TYR 46 2.091 -3.677 5.243 338 HD1 TYR 46 HD1 TYR 46 -0.617 -1.131 4.918 339 HD2 TYR 46 HD2 TYR 46 1.980 -3.275 7.579 340 HE1 TYR 46 HE1 TYR 46 -1.319 0.341 6.782 341 HE2 TYR 46 HE2 TYR 46 1.277 -1.802 9.447 342 HH TYR 46 HH TYR 46 -0.576 1.070 8.924 343 H CYS 47 H CYS 47 2.089 0.012 4.257 344 HA CYS 47 HA CYS 47 4.994 -0.612 3.869 345 1HB CYS 47 1HB CYS 47 3.198 1.069 2.300 346 2HB CYS 47 2HB CYS 47 4.578 1.983 2.910 347 H GLU 48 H GLU 48 6.408 0.892 4.998 348 HA GLU 48 HA GLU 48 5.045 2.518 7.119 349 1HB GLU 48 1HB GLU 48 7.528 0.777 7.311 350 2HB GLU 48 2HB GLU 48 6.838 1.722 8.631 351 1HG GLU 48 1HG GLU 48 4.909 0.372 8.752 352 2HG GLU 48 2HG GLU 48 5.180 -0.313 7.148 353 H GLY 49 H GLY 49 6.253 4.414 7.780 354 1HA GLY 49 1HA GLY 49 8.011 6.024 7.604 355 2HA GLY 49 2HA GLY 49 8.716 5.073 6.297 356 H LEU 50 H LEU 50 5.354 6.138 6.514 357 HA LEU 50 HA LEU 50 5.662 7.472 3.880 358 1HB LEU 50 1HB LEU 50 3.171 6.981 5.527 359 2HB LEU 50 2HB LEU 50 3.273 7.241 3.785 360 HG LEU 50 HG LEU 50 4.398 4.863 5.296 361 1HD1 LEU 50 1HD1 LEU 50 1.789 5.384 4.435 362 2HD1 LEU 50 2HD1 LEU 50 2.470 4.353 3.177 363 3HD1 LEU 50 3HD1 LEU 50 2.455 3.807 4.852 364 1HD2 LEU 50 1HD2 LEU 50 4.528 5.744 2.410 365 2HD2 LEU 50 2HD2 LEU 50 5.846 5.208 3.453 366 3HD2 LEU 50 3HD2 LEU 50 4.668 4.041 2.851 367 HA PRO 51 HA PRO 51 6.014 11.382 6.088 368 1HB PRO 51 1HB PRO 51 5.348 12.662 3.564 369 2HB PRO 51 2HB PRO 51 6.894 12.641 4.417 370 1HG PRO 51 1HG PRO 51 6.252 11.258 2.027 371 2HG PRO 51 2HG PRO 51 7.725 11.096 2.987 372 1HD PRO 51 1HD PRO 51 5.561 9.183 2.688 373 2HD PRO 51 2HD PRO 51 7.093 8.986 3.574 374 H ASP 52 H ASP 52 4.498 13.056 6.712 375 HA ASP 52 HA ASP 52 1.713 12.252 6.700 376 1HB ASP 52 1HB ASP 52 3.425 13.908 8.155 377 2HB ASP 52 2HB ASP 52 2.294 15.030 7.398 378 H SER 53 H SER 53 3.599 13.828 4.378 379 HA SER 53 HA SER 53 1.459 15.615 3.398 380 1HB SER 53 1HB SER 53 4.210 15.633 3.391 381 2HB SER 53 2HB SER 53 3.849 15.115 1.746 382 HG SER 53 HG SER 53 3.113 17.480 3.096 383 H THR 54 H THR 54 2.252 12.342 3.061 384 HA THR 54 HA THR 54 1.204 12.174 0.276 385 HB THR 54 HB THR 54 2.322 10.009 2.078 386 HG1 THR 54 HG1 THR 54 3.869 11.180 0.099 387 1HG2 THR 54 1HG2 THR 54 1.307 10.142 -0.644 388 2HG2 THR 54 2HG2 THR 54 2.971 9.562 -0.602 389 3HG2 THR 54 3HG2 THR 54 1.725 8.730 0.326 390 H GLN 55 H GLN 55 -0.549 10.646 -0.166 391 HA GLN 55 HA GLN 55 -2.482 10.449 2.094 392 1HB GLN 55 1HB GLN 55 -2.636 10.274 -0.925 393 2HB GLN 55 2HB GLN 55 -4.018 9.914 0.112 394 1HG GLN 55 1HG GLN 55 -2.465 12.516 0.216 395 2HG GLN 55 2HG GLN 55 -3.958 12.298 -0.699 396 1HE2 GLN 55 2HE2 GLN 55 -2.622 12.229 2.621 397 2HE2 GLN 55 1HE2 GLN 55 -4.113 12.465 3.398 398 H THR 56 H THR 56 -3.761 8.348 2.197 399 HA THR 56 HA THR 56 -2.651 5.962 0.950 400 HB THR 56 HB THR 56 -0.853 6.416 2.500 401 HG1 THR 56 HG1 THR 56 -1.670 4.252 2.380 402 1HG2 THR 56 1HG2 THR 56 -3.048 7.340 4.158 403 2HG2 THR 56 2HG2 THR 56 -2.001 6.235 5.049 404 3HG2 THR 56 3HG2 THR 56 -1.322 7.681 4.301 405 H TRP 57 H TRP 57 -3.565 3.956 2.036 406 HA TRP 57 HA TRP 57 -6.447 4.236 2.463 407 1HB TRP 57 1HB TRP 57 -4.863 2.439 1.302 408 2HB TRP 57 2HB TRP 57 -4.810 1.771 2.924 409 HD1 TRP 57 HD1 TRP 57 -7.567 3.008 0.506 410 HE1 TRP 57 HE1 TRP 57 -9.563 1.390 0.705 411 HE3 TRP 57 HE3 TRP 57 -5.770 -0.164 4.073 412 HZ2 TRP 57 HZ2 TRP 57 -10.300 -0.951 2.190 413 HZ3 TRP 57 HZ3 TRP 57 -7.132 -2.078 4.863 414 HH2 TRP 57 HH2 TRP 57 -9.394 -2.474 3.928 415 HA PRO 58 HA PRO 58 -7.915 3.159 3.248 416 1HB PRO 58 1HB PRO 58 -9.856 3.137 5.201 417 2HB PRO 58 2HB PRO 58 -8.939 1.708 4.705 418 1HG PRO 58 1HG PRO 58 -8.795 3.201 7.224 419 2HG PRO 58 2HG PRO 58 -8.142 1.604 6.836 420 1HD PRO 58 1HD PRO 58 -6.716 4.135 6.995 421 2HD PRO 58 2HD PRO 58 -6.046 2.510 6.694 422 H LEU 59 H LEU 59 -9.958 4.497 2.915 423 HA LEU 59 HA LEU 59 -9.535 7.291 3.904 424 1HB LEU 59 1HB LEU 59 -10.144 6.035 1.302 425 2HB LEU 59 2HB LEU 59 -11.117 7.463 1.661 426 HG LEU 59 HG LEU 59 -8.790 8.484 2.389 427 1HD1 LEU 59 1HD1 LEU 59 -8.109 6.028 0.833 428 2HD1 LEU 59 2HD1 LEU 59 -7.157 7.480 0.519 429 3HD1 LEU 59 3HD1 LEU 59 -7.227 6.805 2.148 430 1HD2 LEU 59 1HD2 LEU 59 -9.940 8.120 -0.368 431 2HD2 LEU 59 2HD2 LEU 59 -9.894 9.571 0.633 432 3HD2 LEU 59 3HD2 LEU 59 -8.428 9.003 -0.163 433 HA PRO 60 HA PRO 60 -13.361 6.964 6.149 434 1HB PRO 60 1HB PRO 60 -13.930 9.727 5.430 435 2HB PRO 60 2HB PRO 60 -13.504 9.053 7.006 436 1HG PRO 60 1HG PRO 60 -11.850 10.634 5.339 437 2HG PRO 60 2HG PRO 60 -11.370 9.783 6.811 438 1HD PRO 60 1HD PRO 60 -10.641 9.167 4.074 439 2HD PRO 60 2HD PRO 60 -10.116 8.345 5.564 440 H ASN 61 H ASN 61 -15.608 8.546 5.479 441 HA ASN 61 HA ASN 61 -17.212 7.069 3.829 442 1HB ASN 61 1HB ASN 61 -17.168 9.668 4.952 443 2HB ASN 61 2HB ASN 61 -17.623 9.877 3.260 444 1HD2 ASN 61 2HD2 ASN 61 -18.382 7.469 5.858 445 2HD2 ASN 61 1HD2 ASN 61 -20.052 7.464 5.558 446 H LYS 62 H LYS 62 -14.599 9.145 2.831 447 HA LYS 62 HA LYS 62 -15.166 9.549 0.079 448 1HB LYS 62 1HB LYS 62 -12.555 9.001 1.527 449 2HB LYS 62 2HB LYS 62 -12.692 9.748 -0.066 450 1HG LYS 62 1HG LYS 62 -14.066 10.882 2.378 451 2HG LYS 62 2HG LYS 62 -12.437 11.361 1.902 452 1HD LYS 62 1HD LYS 62 -13.167 12.376 -0.074 453 2HD LYS 62 2HD LYS 62 -14.659 11.435 -0.120 454 1HE LYS 62 1HE LYS 62 -14.167 13.373 2.142 455 2HE LYS 62 2HE LYS 62 -14.827 13.938 0.595 456 1HZ LYS 62 1HZ LYS 62 -16.459 12.092 0.748 457 2HZ LYS 62 2HZ LYS 62 -15.917 11.783 2.324 458 3HZ LYS 62 3HZ LYS 62 -16.653 13.271 1.956 459 H THR 63 H THR 63 -12.984 8.249 -1.204 460 HA THR 63 HA THR 63 -14.162 5.859 -2.142 461 HB THR 63 HB THR 63 -12.241 7.330 -3.048 462 HG1 THR 63 HG1 THR 63 -11.948 5.757 -4.407 463 1HG2 THR 63 1HG2 THR 63 -10.957 6.628 -0.788 464 2HG2 THR 63 2HG2 THR 63 -10.374 5.352 -1.854 465 3HG2 THR 63 3HG2 THR 63 -10.104 7.044 -2.273 466 H CYS 64 H CYS 64 -12.150 3.909 -1.999 467 HA CYS 64 HA CYS 64 -12.870 2.396 0.255 468 1HB CYS 64 1HB CYS 64 -11.505 1.983 -2.012 469 2HB CYS 64 2HB CYS 64 -10.142 2.146 -0.920 Start of MODEL 3 1 1H LYS 1 1H LYS 1 5.867 6.355 9.092 2 2H LYS 1 2H LYS 1 5.622 7.764 10.002 3 3H LYS 1 3H LYS 1 6.039 6.314 10.782 4 HA LYS 1 HA LYS 1 3.816 6.190 11.160 5 1HB LYS 1 1HB LYS 1 3.926 8.507 9.806 6 2HB LYS 1 2HB LYS 1 3.090 7.534 8.594 7 1HG LYS 1 1HG LYS 1 1.598 6.803 10.640 8 2HG LYS 1 2HG LYS 1 2.195 8.301 11.354 9 1HD LYS 1 1HD LYS 1 0.112 8.766 10.184 10 2HD LYS 1 2HD LYS 1 1.442 9.523 9.305 11 1HE LYS 1 1HE LYS 1 1.251 6.909 8.256 12 2HE LYS 1 2HE LYS 1 -0.415 7.508 8.369 13 1HZ LYS 1 1HZ LYS 1 0.457 9.647 7.420 14 2HZ LYS 1 2HZ LYS 1 1.901 8.831 7.068 15 3HZ LYS 1 3HZ LYS 1 0.450 8.333 6.342 16 H ASP 2 H ASP 2 2.868 4.226 10.776 17 HA ASP 2 HA ASP 2 3.386 2.868 8.182 18 1HB ASP 2 1HB ASP 2 2.066 1.816 10.698 19 2HB ASP 2 2HB ASP 2 2.851 0.880 9.426 20 H GLY 3 H GLY 3 1.620 2.047 6.900 21 1HA GLY 3 1HA GLY 3 -1.141 2.536 7.739 22 2HA GLY 3 2HA GLY 3 -0.595 3.602 6.445 23 H TYR 4 H TYR 4 -2.420 2.390 5.336 24 HA TYR 4 HA TYR 4 -1.437 -0.200 4.188 25 1HB TYR 4 1HB TYR 4 -4.008 0.800 5.227 26 2HB TYR 4 2HB TYR 4 -4.141 -0.035 3.680 27 HD1 TYR 4 HD1 TYR 4 -2.690 -2.282 3.524 28 HD2 TYR 4 HD2 TYR 4 -4.093 -0.485 7.167 29 HE1 TYR 4 HE1 TYR 4 -2.481 -4.464 4.683 30 HE2 TYR 4 HE2 TYR 4 -3.882 -2.669 8.323 31 HH TYR 4 HH TYR 4 -3.678 -5.531 6.821 32 H LEU 5 H LEU 5 -1.328 -0.331 1.935 33 HA LEU 5 HA LEU 5 -1.451 2.165 0.415 34 1HB LEU 5 1HB LEU 5 -0.932 -0.744 -0.253 35 2HB LEU 5 2HB LEU 5 -0.811 0.554 -1.441 36 HG LEU 5 HG LEU 5 0.727 0.514 1.169 37 1HD1 LEU 5 1HD1 LEU 5 1.201 -0.827 -1.394 38 2HD1 LEU 5 2HD1 LEU 5 2.533 0.222 -0.912 39 3HD1 LEU 5 3HD1 LEU 5 1.996 -1.068 0.162 40 1HD2 LEU 5 1HD2 LEU 5 0.133 2.608 -0.522 41 2HD2 LEU 5 2HD2 LEU 5 1.537 2.543 0.545 42 3HD2 LEU 5 3HD2 LEU 5 1.691 2.060 -1.145 43 H VAL 6 H VAL 6 -3.167 2.852 -0.822 44 HA VAL 6 HA VAL 6 -5.644 1.246 -0.809 45 HB VAL 6 HB VAL 6 -6.617 3.311 -1.674 46 1HG1 VAL 6 1HG1 VAL 6 -5.083 3.115 0.726 47 2HG1 VAL 6 2HG1 VAL 6 -4.909 4.757 0.103 48 3HG1 VAL 6 3HG1 VAL 6 -6.516 4.101 0.425 49 1HG2 VAL 6 1HG2 VAL 6 -3.859 3.727 -2.560 50 2HG2 VAL 6 2HG2 VAL 6 -5.348 4.459 -3.159 51 3HG2 VAL 6 3HG2 VAL 6 -4.525 5.150 -1.760 52 H GLU 7 H GLU 7 -6.848 1.674 -3.139 53 HA GLU 7 HA GLU 7 -5.043 0.384 -5.149 54 1HB GLU 7 1HB GLU 7 -7.193 -0.690 -4.272 55 2HB GLU 7 2HB GLU 7 -8.068 0.577 -5.133 56 1HG GLU 7 1HG GLU 7 -7.930 -1.367 -6.579 57 2HG GLU 7 2HG GLU 7 -6.871 -0.115 -7.231 58 H LYS 8 H LYS 8 -5.224 1.143 -7.399 59 HA LYS 8 HA LYS 8 -4.939 3.845 -7.886 60 1HB LYS 8 1HB LYS 8 -5.483 3.292 -10.199 61 2HB LYS 8 2HB LYS 8 -4.631 1.928 -9.474 62 1HG LYS 8 1HG LYS 8 -7.115 1.175 -8.860 63 2HG LYS 8 2HG LYS 8 -7.500 2.166 -10.268 64 1HD LYS 8 1HD LYS 8 -5.188 0.472 -10.763 65 2HD LYS 8 2HD LYS 8 -6.600 -0.481 -10.308 66 1HE LYS 8 1HE LYS 8 -6.878 1.730 -12.342 67 2HE LYS 8 2HE LYS 8 -6.292 0.126 -12.834 68 1HZ LYS 8 1HZ LYS 8 -8.582 0.203 -11.032 69 2HZ LYS 8 2HZ LYS 8 -8.870 0.687 -12.635 70 3HZ LYS 8 3HZ LYS 8 -8.246 -0.861 -12.310 71 H THR 9 H THR 9 -7.938 2.129 -7.287 72 HA THR 9 HA THR 9 -9.591 4.445 -8.096 73 HB THR 9 HB THR 9 -11.389 2.878 -7.805 74 HG1 THR 9 HG1 THR 9 -9.692 0.947 -6.720 75 1HG2 THR 9 1HG2 THR 9 -9.617 2.489 -9.662 76 2HG2 THR 9 2HG2 THR 9 -9.125 1.103 -8.687 77 3HG2 THR 9 3HG2 THR 9 -10.767 1.195 -9.323 78 H GLY 10 H GLY 10 -8.437 2.800 -5.205 79 1HA GLY 10 1HA GLY 10 -8.256 4.506 -3.264 80 2HA GLY 10 2HA GLY 10 -9.991 4.710 -3.514 81 H CYS 11 H CYS 11 -10.000 1.688 -4.228 82 HA CYS 11 HA CYS 11 -10.827 0.746 -1.626 83 1HB CYS 11 1HB CYS 11 -10.052 -0.885 -4.060 84 2HB CYS 11 2HB CYS 11 -11.230 -1.306 -2.818 85 H LYS 12 H LYS 12 -9.777 -1.190 -0.540 86 HA LYS 12 HA LYS 12 -7.014 -0.705 0.041 87 1HB LYS 12 1HB LYS 12 -7.234 -2.739 1.361 88 2HB LYS 12 2HB LYS 12 -8.720 -1.811 1.502 89 1HG LYS 12 1HG LYS 12 -9.771 -3.212 -0.234 90 2HG LYS 12 2HG LYS 12 -8.278 -4.139 -0.387 91 1HD LYS 12 1HD LYS 12 -8.779 -5.396 1.418 92 2HD LYS 12 2HD LYS 12 -9.135 -3.966 2.389 93 1HE LYS 12 1HE LYS 12 -11.217 -4.362 0.412 94 2HE LYS 12 2HE LYS 12 -11.014 -5.820 1.405 95 1HZ LYS 12 1HZ LYS 12 -11.028 -3.113 2.599 96 2HZ LYS 12 2HZ LYS 12 -12.471 -3.974 2.351 97 3HZ LYS 12 3HZ LYS 12 -11.267 -4.604 3.370 98 H LYS 13 H LYS 13 -5.719 -3.089 0.000 99 HA LYS 13 HA LYS 13 -5.790 -4.138 -2.785 100 1HB LYS 13 1HB LYS 13 -4.288 -2.095 -2.594 101 2HB LYS 13 2HB LYS 13 -3.281 -3.034 -1.493 102 1HG LYS 13 1HG LYS 13 -2.373 -4.243 -3.180 103 2HG LYS 13 2HG LYS 13 -3.938 -4.483 -3.957 104 1HD LYS 13 1HD LYS 13 -3.744 -1.997 -4.656 105 2HD LYS 13 2HD LYS 13 -2.035 -2.162 -4.247 106 1HE LYS 13 1HE LYS 13 -3.144 -4.337 -5.940 107 2HE LYS 13 2HE LYS 13 -3.016 -2.747 -6.715 108 1HZ LYS 13 1HZ LYS 13 -0.727 -2.732 -5.486 109 2HZ LYS 13 2HZ LYS 13 -0.904 -4.421 -5.552 110 3HZ LYS 13 3HZ LYS 13 -0.888 -3.510 -6.986 111 H THR 14 H THR 14 -5.619 -6.331 -2.636 112 HA THR 14 HA THR 14 -4.423 -7.509 -0.164 113 HB THR 14 HB THR 14 -6.426 -8.356 -2.255 114 HG1 THR 14 HG1 THR 14 -7.538 -7.672 -0.609 115 1HG2 THR 14 1HG2 THR 14 -4.638 -10.098 -0.625 116 2HG2 THR 14 2HG2 THR 14 -6.336 -10.564 -0.737 117 3HG2 THR 14 3HG2 THR 14 -5.368 -10.399 -2.202 118 H CYS 15 H CYS 15 -2.818 -9.171 -0.369 119 HA CYS 15 HA CYS 15 -1.632 -9.511 -3.101 120 1HB CYS 15 1HB CYS 15 0.596 -9.394 -1.849 121 2HB CYS 15 2HB CYS 15 -0.296 -7.877 -1.953 122 H TYR 16 H TYR 16 -1.367 -11.657 -3.581 123 HA TYR 16 HA TYR 16 -2.071 -13.722 -1.674 124 1HB TYR 16 1HB TYR 16 -1.525 -13.368 -4.503 125 2HB TYR 16 2HB TYR 16 -0.775 -14.847 -3.901 126 HD1 TYR 16 HD1 TYR 16 -2.345 -16.213 -2.185 127 HD2 TYR 16 HD2 TYR 16 -3.726 -13.517 -5.231 128 HE1 TYR 16 HE1 TYR 16 -4.558 -17.333 -2.171 129 HE2 TYR 16 HE2 TYR 16 -5.940 -14.638 -5.218 130 HH TYR 16 HH TYR 16 -6.769 -17.053 -4.561 131 H LYS 17 H LYS 17 1.018 -13.039 -3.384 132 HA LYS 17 HA LYS 17 2.525 -14.945 -1.823 133 1HB LYS 17 1HB LYS 17 2.982 -14.038 -4.149 134 2HB LYS 17 2HB LYS 17 3.527 -12.548 -3.377 135 1HG LYS 17 1HG LYS 17 5.536 -13.471 -2.985 136 2HG LYS 17 2HG LYS 17 4.772 -14.751 -2.043 137 1HD LYS 17 1HD LYS 17 4.241 -15.888 -4.267 138 2HD LYS 17 2HD LYS 17 5.334 -14.722 -5.015 139 1HE LYS 17 1HE LYS 17 7.185 -15.792 -4.233 140 2HE LYS 17 2HE LYS 17 6.469 -16.023 -2.625 141 1HZ LYS 17 1HZ LYS 17 4.903 -17.596 -4.081 142 2HZ LYS 17 2HZ LYS 17 6.341 -17.741 -4.972 143 3HZ LYS 17 3HZ LYS 17 6.315 -18.152 -3.325 144 H LEU 18 H LEU 18 2.480 -14.529 0.412 145 HA LEU 18 HA LEU 18 2.699 -11.932 1.618 146 1HB LEU 18 1HB LEU 18 3.027 -14.809 2.427 147 2HB LEU 18 2HB LEU 18 3.468 -13.538 3.569 148 HG LEU 18 HG LEU 18 0.782 -13.714 2.176 149 1HD1 LEU 18 1HD1 LEU 18 1.207 -15.593 3.787 150 2HD1 LEU 18 2HD1 LEU 18 1.488 -14.390 5.046 151 3HD1 LEU 18 3HD1 LEU 18 -0.101 -14.522 4.291 152 1HD2 LEU 18 1HD2 LEU 18 2.148 -11.702 3.759 153 2HD2 LEU 18 2HD2 LEU 18 0.607 -11.591 2.910 154 3HD2 LEU 18 3HD2 LEU 18 0.662 -12.222 4.554 155 H GLY 19 H GLY 19 4.574 -10.915 2.513 156 1HA GLY 19 1HA GLY 19 6.965 -10.977 3.100 157 2HA GLY 19 2HA GLY 19 7.202 -12.141 1.796 158 H GLU 20 H GLU 20 8.925 -10.262 1.473 159 HA GLU 20 HA GLU 20 8.235 -7.732 0.422 160 1HB GLU 20 1HB GLU 20 10.488 -9.676 -0.138 161 2HB GLU 20 2HB GLU 20 10.475 -8.028 -0.768 162 1HG GLU 20 1HG GLU 20 9.965 -8.404 2.153 163 2HG GLU 20 2HG GLU 20 11.618 -8.607 1.573 164 H ASN 21 H ASN 21 6.275 -8.188 -0.894 165 HA ASN 21 HA ASN 21 6.532 -9.811 -3.317 166 1HB ASN 21 1HB ASN 21 4.472 -9.241 -1.789 167 2HB ASN 21 2HB ASN 21 4.382 -7.776 -2.769 168 1HD2 ASN 21 2HD2 ASN 21 2.765 -10.493 -2.637 169 2HD2 ASN 21 1HD2 ASN 21 2.609 -10.904 -4.276 170 H ASP 22 H ASP 22 8.273 -8.786 -4.474 171 HA ASP 22 HA ASP 22 8.941 -6.228 -5.047 172 1HB ASP 22 1HB ASP 22 8.641 -8.692 -6.717 173 2HB ASP 22 2HB ASP 22 9.109 -7.194 -7.519 174 H PHE 23 H PHE 23 6.122 -7.864 -6.526 175 HA PHE 23 HA PHE 23 5.248 -5.847 -8.281 176 1HB PHE 23 1HB PHE 23 4.364 -8.245 -7.630 177 2HB PHE 23 2HB PHE 23 3.344 -7.354 -6.499 178 HD1 PHE 23 HD1 PHE 23 4.516 -6.764 -10.022 179 HD2 PHE 23 HD2 PHE 23 1.193 -7.044 -7.317 180 HE1 PHE 23 HE1 PHE 23 2.964 -6.194 -11.869 181 HE2 PHE 23 HE2 PHE 23 -0.360 -6.474 -9.164 182 HZ PHE 23 HZ PHE 23 0.525 -6.050 -11.442 183 H CYS 24 H CYS 24 3.929 -6.336 -4.992 184 HA CYS 24 HA CYS 24 2.852 -3.644 -4.842 185 1HB CYS 24 1HB CYS 24 1.989 -5.714 -3.695 186 2HB CYS 24 2HB CYS 24 3.418 -5.683 -2.663 187 H ASN 25 H ASN 25 5.828 -5.241 -3.784 188 HA ASN 25 HA ASN 25 6.849 -3.309 -1.981 189 1HB ASN 25 1HB ASN 25 7.712 -5.608 -3.429 190 2HB ASN 25 2HB ASN 25 8.909 -4.347 -3.713 191 1HD2 ASN 25 2HD2 ASN 25 10.577 -4.632 -2.215 192 2HD2 ASN 25 1HD2 ASN 25 10.354 -4.969 -0.566 193 H ARG 26 H ARG 26 7.033 -3.464 -5.542 194 HA ARG 26 HA ARG 26 8.604 -1.070 -5.879 195 1HB ARG 26 1HB ARG 26 7.314 -3.110 -7.441 196 2HB ARG 26 2HB ARG 26 6.884 -1.535 -8.107 197 1HG ARG 26 1HG ARG 26 9.741 -2.162 -7.390 198 2HG ARG 26 2HG ARG 26 9.073 -2.674 -8.940 199 1HD ARG 26 1HD ARG 26 8.318 0.057 -8.509 200 2HD ARG 26 2HD ARG 26 10.063 -0.087 -8.234 201 HE ARG 26 HE ARG 26 8.789 -0.229 -10.783 202 1HH1 ARG 26 1HH1 ARG 26 11.115 -1.960 -8.889 203 2HH1 ARG 26 2HH1 ARG 26 11.731 -2.844 -10.240 204 1HH2 ARG 26 1HH2 ARG 26 9.613 -1.360 -12.541 205 2HH2 ARG 26 2HH2 ARG 26 10.898 -2.498 -12.299 206 H GLU 27 H GLU 27 5.082 -1.696 -6.184 207 HA GLU 27 HA GLU 27 4.207 0.913 -6.761 208 1HB GLU 27 1HB GLU 27 3.115 -1.459 -5.281 209 2HB GLU 27 2HB GLU 27 2.197 0.048 -5.258 210 1HG GLU 27 1HG GLU 27 2.794 -0.088 -7.896 211 2HG GLU 27 2HG GLU 27 2.723 -1.808 -7.514 212 H CYS 28 H CYS 28 5.099 -0.527 -3.637 213 HA CYS 28 HA CYS 28 4.362 1.854 -2.106 214 1HB CYS 28 1HB CYS 28 4.349 -0.522 -1.286 215 2HB CYS 28 2HB CYS 28 6.109 -0.524 -1.393 216 H LYS 29 H LYS 29 7.270 0.548 -3.613 217 HA LYS 29 HA LYS 29 9.044 2.545 -2.380 218 1HB LYS 29 1HB LYS 29 9.296 0.006 -3.468 219 2HB LYS 29 2HB LYS 29 9.978 1.036 -4.727 220 1HG LYS 29 1HG LYS 29 11.868 0.809 -3.443 221 2HG LYS 29 2HG LYS 29 11.144 2.166 -2.579 222 1HD LYS 29 1HD LYS 29 11.146 0.890 -0.724 223 2HD LYS 29 2HD LYS 29 9.927 -0.125 -1.496 224 1HE LYS 29 1HE LYS 29 11.468 -1.749 -2.103 225 2HE LYS 29 2HE LYS 29 12.799 -0.581 -2.234 226 1HZ LYS 29 1HZ LYS 29 12.670 -0.267 0.185 227 2HZ LYS 29 2HZ LYS 29 11.488 -1.484 0.277 228 3HZ LYS 29 3HZ LYS 29 13.066 -1.863 -0.226 229 H TRP 30 H TRP 30 7.251 4.113 -3.462 230 HA TRP 30 HA TRP 30 8.622 5.472 -5.613 231 1HB TRP 30 1HB TRP 30 7.396 4.821 -7.439 232 2HB TRP 30 2HB TRP 30 7.253 3.357 -6.481 233 HD1 TRP 30 HD1 TRP 30 5.144 4.491 -8.683 234 HE1 TRP 30 HE1 TRP 30 2.679 4.717 -7.976 235 HE3 TRP 30 HE3 TRP 30 5.669 4.628 -3.609 236 HZ2 TRP 30 HZ2 TRP 30 1.134 4.940 -5.592 237 HZ3 TRP 30 HZ3 TRP 30 3.688 4.847 -2.141 238 HH2 TRP 30 HH2 TRP 30 1.417 5.001 -3.127 239 H LYS 31 H LYS 31 6.722 7.119 -6.643 240 HA LYS 31 HA LYS 31 5.870 9.251 -5.960 241 1HB LYS 31 1HB LYS 31 4.015 7.655 -6.414 242 2HB LYS 31 2HB LYS 31 4.007 7.214 -4.704 243 1HG LYS 31 1HG LYS 31 2.926 9.106 -4.102 244 2HG LYS 31 2HG LYS 31 3.914 10.109 -5.165 245 1HD LYS 31 1HD LYS 31 2.283 8.474 -6.827 246 2HD LYS 31 2HD LYS 31 1.236 9.171 -5.589 247 1HE LYS 31 1HE LYS 31 1.368 10.714 -7.497 248 2HE LYS 31 2HE LYS 31 2.227 11.431 -6.118 249 1HZ LYS 31 1HZ LYS 31 3.738 9.624 -7.839 250 2HZ LYS 31 2HZ LYS 31 3.366 11.148 -8.485 251 3HZ LYS 31 3HZ LYS 31 4.245 11.031 -7.036 252 H HIS 32 H HIS 32 7.652 9.779 -4.390 253 HA HIS 32 HA HIS 32 8.289 10.574 -2.244 254 1HB HIS 32 1HB HIS 32 5.503 9.830 -1.345 255 2HB HIS 32 2HB HIS 32 6.503 11.175 -0.803 256 HD1 HIS 32 HD1 HIS 32 7.239 11.935 -3.905 257 HD2 HIS 32 HD2 HIS 32 3.448 11.634 -2.196 258 HE1 HIS 32 HE1 HIS 32 5.693 13.353 -5.329 259 H ILE 33 H ILE 33 9.507 9.347 -0.797 260 HA ILE 33 HA ILE 33 8.447 6.624 -0.110 261 HB ILE 33 HB ILE 33 11.352 7.390 -0.409 262 1HG1 ILE 33 1HG1 ILE 33 9.398 6.374 -2.494 263 2HG1 ILE 33 2HG1 ILE 33 10.283 7.900 -2.532 264 1HG2 ILE 33 1HG2 ILE 33 9.840 5.000 0.265 265 2HG2 ILE 33 2HG2 ILE 33 10.849 4.735 -1.157 266 3HG2 ILE 33 3HG2 ILE 33 11.579 5.277 0.353 267 1HD1 ILE 33 1HD1 ILE 33 12.386 6.313 -2.305 268 2HD1 ILE 33 2HD1 ILE 33 11.283 5.115 -2.984 269 3HD1 ILE 33 3HD1 ILE 33 11.642 6.592 -3.879 270 H GLY 34 H GLY 34 11.275 8.487 1.047 271 1HA GLY 34 1HA GLY 34 11.793 9.256 3.208 272 2HA GLY 34 2HA GLY 34 10.087 9.076 3.621 273 H GLY 35 H GLY 35 11.758 6.333 2.281 274 1HA GLY 35 1HA GLY 35 12.719 4.443 3.378 275 2HA GLY 35 2HA GLY 35 12.398 5.214 4.931 276 H SER 36 H SER 36 9.862 5.004 2.549 277 HA SER 36 HA SER 36 8.090 3.629 4.361 278 1HB SER 36 1HB SER 36 6.675 4.584 2.887 279 2HB SER 36 2HB SER 36 8.049 5.042 1.884 280 HG SER 36 HG SER 36 6.209 3.423 1.191 281 H TYR 37 H TYR 37 8.791 1.537 4.912 282 HA TYR 37 HA TYR 37 9.757 -0.335 2.859 283 1HB TYR 37 1HB TYR 37 10.006 -0.006 5.614 284 2HB TYR 37 2HB TYR 37 8.951 -1.412 5.468 285 HD1 TYR 37 HD1 TYR 37 11.746 -0.177 3.304 286 HD2 TYR 37 HD2 TYR 37 10.261 -3.331 5.811 287 HE1 TYR 37 HE1 TYR 37 13.705 -1.574 2.703 288 HE2 TYR 37 HE2 TYR 37 12.219 -4.729 5.209 289 HH TYR 37 HH TYR 37 14.791 -4.002 4.322 290 H GLY 38 H GLY 38 8.275 -1.296 1.519 291 1HA GLY 38 1HA GLY 38 5.549 -1.829 2.620 292 2HA GLY 38 2HA GLY 38 5.889 -1.553 0.913 293 H TYR 39 H TYR 39 4.574 -3.857 2.177 294 HA TYR 39 HA TYR 39 5.795 -5.969 0.666 295 1HB TYR 39 1HB TYR 39 6.567 -7.309 2.670 296 2HB TYR 39 2HB TYR 39 7.526 -5.865 2.355 297 HD1 TYR 39 HD1 TYR 39 4.513 -6.975 4.296 298 HD2 TYR 39 HD2 TYR 39 7.916 -4.361 4.093 299 HE1 TYR 39 HE1 TYR 39 4.006 -6.140 6.575 300 HE2 TYR 39 HE2 TYR 39 7.413 -3.530 6.374 301 HH TYR 39 HH TYR 39 4.800 -3.567 7.807 302 H CYS 40 H CYS 40 4.583 -8.012 0.948 303 HA CYS 40 HA CYS 40 1.777 -7.571 1.517 304 1HB CYS 40 1HB CYS 40 2.769 -9.094 -0.208 305 2HB CYS 40 2HB CYS 40 3.326 -10.144 1.094 306 H TYR 41 H TYR 41 0.729 -7.834 3.430 307 HA TYR 41 HA TYR 41 1.921 -9.596 5.532 308 1HB TYR 41 1HB TYR 41 2.126 -6.850 5.505 309 2HB TYR 41 2HB TYR 41 0.663 -7.093 6.458 310 HD1 TYR 41 HD1 TYR 41 4.049 -8.684 6.109 311 HD2 TYR 41 HD2 TYR 41 0.967 -7.294 8.758 312 HE1 TYR 41 HE1 TYR 41 5.433 -9.336 8.061 313 HE2 TYR 41 HE2 TYR 41 2.353 -7.943 10.710 314 HH TYR 41 HH TYR 41 5.598 -8.596 10.528 315 H GLY 42 H GLY 42 0.333 -10.928 6.372 316 1HA GLY 42 1HA GLY 42 -1.811 -11.858 6.645 317 2HA GLY 42 2HA GLY 42 -2.274 -10.217 7.102 318 H PHE 43 H PHE 43 -1.112 -11.385 3.953 319 HA PHE 43 HA PHE 43 -2.098 -11.230 1.816 320 1HB PHE 43 1HB PHE 43 -4.549 -11.614 3.565 321 2HB PHE 43 2HB PHE 43 -4.491 -11.882 1.822 322 HD1 PHE 43 HD1 PHE 43 -3.100 -13.014 5.080 323 HD2 PHE 43 HD2 PHE 43 -3.546 -13.871 0.894 324 HE1 PHE 43 HE1 PHE 43 -2.206 -15.297 5.453 325 HE2 PHE 43 HE2 PHE 43 -2.650 -16.154 1.267 326 HZ PHE 43 HZ PHE 43 -1.980 -16.868 3.546 327 H GLY 44 H GLY 44 -1.396 -8.783 2.588 328 1HA GLY 44 1HA GLY 44 -3.336 -7.048 1.341 329 2HA GLY 44 2HA GLY 44 -3.281 -6.780 3.085 330 H CYS 45 H CYS 45 -2.297 -5.135 0.686 331 HA CYS 45 HA CYS 45 0.609 -5.084 0.945 332 1HB CYS 45 1HB CYS 45 -1.560 -3.600 -0.477 333 2HB CYS 45 2HB CYS 45 0.002 -2.797 -0.314 334 H TYR 46 H TYR 46 1.521 -4.319 2.810 335 HA TYR 46 HA TYR 46 0.331 -1.858 4.056 336 1HB TYR 46 1HB TYR 46 0.073 -4.067 5.287 337 2HB TYR 46 2HB TYR 46 1.831 -4.110 5.431 338 HD1 TYR 46 HD1 TYR 46 -1.172 -2.036 6.222 339 HD2 TYR 46 HD2 TYR 46 2.945 -2.882 7.116 340 HE1 TYR 46 HE1 TYR 46 -1.296 -0.546 8.199 341 HE2 TYR 46 HE2 TYR 46 2.821 -1.390 9.094 342 HH TYR 46 HH TYR 46 -0.079 0.530 9.769 343 H CYS 47 H CYS 47 1.855 -0.234 4.626 344 HA CYS 47 HA CYS 47 4.724 -0.849 3.984 345 1HB CYS 47 1HB CYS 47 2.917 1.401 3.100 346 2HB CYS 47 2HB CYS 47 4.671 1.566 3.058 347 H GLU 48 H GLU 48 6.259 0.596 5.051 348 HA GLU 48 HA GLU 48 5.166 2.059 7.428 349 1HB GLU 48 1HB GLU 48 7.488 0.105 7.284 350 2HB GLU 48 2HB GLU 48 7.045 1.035 8.715 351 1HG GLU 48 1HG GLU 48 4.820 -0.030 8.725 352 2HG GLU 48 2HG GLU 48 5.258 -0.964 7.294 353 H GLY 49 H GLY 49 5.698 4.156 6.816 354 1HA GLY 49 1HA GLY 49 7.765 5.651 7.094 355 2HA GLY 49 2HA GLY 49 8.490 4.635 5.852 356 H LEU 50 H LEU 50 5.102 5.531 5.746 357 HA LEU 50 HA LEU 50 5.669 7.071 3.253 358 1HB LEU 50 1HB LEU 50 2.910 6.803 3.479 359 2HB LEU 50 2HB LEU 50 3.961 5.774 2.517 360 HG LEU 50 HG LEU 50 3.352 5.222 5.433 361 1HD1 LEU 50 1HD1 LEU 50 1.857 4.524 2.925 362 2HD1 LEU 50 2HD1 LEU 50 1.890 3.373 4.262 363 3HD1 LEU 50 3HD1 LEU 50 1.226 4.988 4.506 364 1HD2 LEU 50 1HD2 LEU 50 4.856 3.911 3.226 365 2HD2 LEU 50 2HD2 LEU 50 5.145 3.857 4.963 366 3HD2 LEU 50 3HD2 LEU 50 3.890 2.848 4.248 367 HA PRO 51 HA PRO 51 5.018 10.570 6.078 368 1HB PRO 51 1HB PRO 51 5.511 12.264 3.799 369 2HB PRO 51 2HB PRO 51 6.567 11.963 5.183 370 1HG PRO 51 1HG PRO 51 6.887 11.023 2.491 371 2HG PRO 51 2HG PRO 51 7.938 10.724 3.877 372 1HD PRO 51 1HD PRO 51 6.192 8.850 2.560 373 2HD PRO 51 2HD PRO 51 7.220 8.565 3.986 374 H ASP 52 H ASP 52 3.613 12.676 5.627 375 HA ASP 52 HA ASP 52 0.958 11.864 4.938 376 1HB ASP 52 1HB ASP 52 2.410 14.456 5.423 377 2HB ASP 52 2HB ASP 52 0.715 14.474 4.936 378 H SER 53 H SER 53 3.467 13.589 3.091 379 HA SER 53 HA SER 53 2.111 14.542 0.880 380 1HB SER 53 1HB SER 53 4.425 13.048 0.017 381 2HB SER 53 2HB SER 53 4.255 14.788 0.219 382 HG SER 53 HG SER 53 5.797 13.385 1.607 383 H THR 54 H THR 54 2.633 11.169 1.739 384 HA THR 54 HA THR 54 1.630 10.216 -0.882 385 HB THR 54 HB THR 54 2.086 8.375 1.406 386 HG1 THR 54 HG1 THR 54 3.867 9.339 1.927 387 1HG2 THR 54 1HG2 THR 54 1.737 7.783 -1.061 388 2HG2 THR 54 2HG2 THR 54 3.354 8.431 -1.337 389 3HG2 THR 54 3HG2 THR 54 3.130 7.044 -0.271 390 H GLN 55 H GLN 55 -0.365 9.136 -1.122 391 HA GLN 55 HA GLN 55 -2.376 9.674 1.003 392 1HB GLN 55 1HB GLN 55 -2.859 10.410 -1.263 393 2HB GLN 55 2HB GLN 55 -2.505 8.805 -1.903 394 1HG GLN 55 1HG GLN 55 -4.839 8.769 -1.783 395 2HG GLN 55 2HG GLN 55 -4.386 8.027 -0.248 396 1HE2 GLN 55 2HE2 GLN 55 -4.483 9.428 1.710 397 2HE2 GLN 55 1HE2 GLN 55 -5.477 10.804 1.720 398 H THR 56 H THR 56 -2.987 8.019 2.347 399 HA THR 56 HA THR 56 -2.638 5.204 1.362 400 HB THR 56 HB THR 56 -2.327 5.184 4.138 401 HG1 THR 56 HG1 THR 56 -0.477 7.063 3.382 402 1HG2 THR 56 1HG2 THR 56 -0.903 4.458 1.818 403 2HG2 THR 56 2HG2 THR 56 0.217 5.414 2.789 404 3HG2 THR 56 3HG2 THR 56 -0.548 3.983 3.478 405 H TRP 57 H TRP 57 -3.972 3.652 2.724 406 HA TRP 57 HA TRP 57 -6.742 4.521 2.862 407 1HB TRP 57 1HB TRP 57 -5.464 2.215 2.392 408 2HB TRP 57 2HB TRP 57 -5.686 2.020 4.127 409 HD1 TRP 57 HD1 TRP 57 -7.991 3.326 1.294 410 HE1 TRP 57 HE1 TRP 57 -10.279 2.161 1.530 411 HE3 TRP 57 HE3 TRP 57 -7.057 0.352 5.339 412 HZ2 TRP 57 HZ2 TRP 57 -11.546 0.227 3.212 413 HZ3 TRP 57 HZ3 TRP 57 -8.820 -1.140 6.238 414 HH2 TRP 57 HH2 TRP 57 -11.062 -1.207 5.179 415 HA PRO 58 HA PRO 58 -8.541 4.007 3.872 416 1HB PRO 58 1HB PRO 58 -10.136 5.893 5.243 417 2HB PRO 58 2HB PRO 58 -10.174 4.140 5.446 418 1HG PRO 58 1HG PRO 58 -9.178 6.149 7.287 419 2HG PRO 58 2HG PRO 58 -9.377 4.414 7.550 420 1HD PRO 58 1HD PRO 58 -6.920 5.869 7.139 421 2HD PRO 58 2HD PRO 58 -7.123 4.116 7.390 422 H LEU 59 H LEU 59 -10.046 5.820 2.796 423 HA LEU 59 HA LEU 59 -8.236 8.020 1.886 424 1HB LEU 59 1HB LEU 59 -10.080 6.143 0.676 425 2HB LEU 59 2HB LEU 59 -10.548 7.796 0.276 426 HG LEU 59 HG LEU 59 -8.098 8.198 -0.325 427 1HD1 LEU 59 1HD1 LEU 59 -7.700 5.768 0.865 428 2HD1 LEU 59 2HD1 LEU 59 -7.777 5.302 -0.834 429 3HD1 LEU 59 3HD1 LEU 59 -6.588 6.488 -0.298 430 1HD2 LEU 59 1HD2 LEU 59 -10.246 7.132 -1.783 431 2HD2 LEU 59 2HD2 LEU 59 -8.802 7.893 -2.452 432 3HD2 LEU 59 3HD2 LEU 59 -8.859 6.144 -2.239 433 HA PRO 60 HA PRO 60 -10.764 11.323 3.329 434 1HB PRO 60 1HB PRO 60 -11.724 12.266 0.777 435 2HB PRO 60 2HB PRO 60 -10.433 12.940 1.777 436 1HG PRO 60 1HG PRO 60 -10.173 11.497 -0.690 437 2HG PRO 60 2HG PRO 60 -8.887 12.168 0.316 438 1HD PRO 60 1HD PRO 60 -9.546 9.395 -0.066 439 2HD PRO 60 2HD PRO 60 -8.294 10.077 1.002 440 H ASN 61 H ASN 61 -13.148 12.409 2.413 441 HA ASN 61 HA ASN 61 -15.132 10.579 3.302 442 1HB ASN 61 1HB ASN 61 -16.669 12.307 2.291 443 2HB ASN 61 2HB ASN 61 -15.415 12.991 3.325 444 1HD2 ASN 61 2HD2 ASN 61 -16.915 13.652 0.499 445 2HD2 ASN 61 1HD2 ASN 61 -15.641 14.360 -0.372 446 H LYS 62 H LYS 62 -13.545 10.780 0.258 447 HA LYS 62 HA LYS 62 -15.752 9.278 -1.100 448 1HB LYS 62 1HB LYS 62 -14.077 11.428 -1.820 449 2HB LYS 62 2HB LYS 62 -13.499 10.051 -2.756 450 1HG LYS 62 1HG LYS 62 -16.448 10.603 -2.578 451 2HG LYS 62 2HG LYS 62 -15.452 11.512 -3.716 452 1HD LYS 62 1HD LYS 62 -14.907 8.629 -3.757 453 2HD LYS 62 2HD LYS 62 -16.567 9.028 -4.203 454 1HE LYS 62 1HE LYS 62 -15.645 9.362 -6.282 455 2HE LYS 62 2HE LYS 62 -15.175 10.934 -5.604 456 1HZ LYS 62 1HZ LYS 62 -13.514 8.567 -5.063 457 2HZ LYS 62 2HZ LYS 62 -13.359 9.359 -6.558 458 3HZ LYS 62 3HZ LYS 62 -13.067 10.206 -5.118 459 H THR 63 H THR 63 -14.960 7.359 0.277 460 HA THR 63 HA THR 63 -12.422 6.168 -0.741 461 HB THR 63 HB THR 63 -12.846 6.393 1.696 462 HG1 THR 63 HG1 THR 63 -11.684 4.664 1.706 463 1HG2 THR 63 1HG2 THR 63 -15.245 4.705 0.986 464 2HG2 THR 63 2HG2 THR 63 -14.598 4.764 2.626 465 3HG2 THR 63 3HG2 THR 63 -15.209 6.233 1.866 466 H CYS 64 H CYS 64 -12.974 3.511 -0.343 467 HA CYS 64 HA CYS 64 -14.671 2.880 -2.676 468 1HB CYS 64 1HB CYS 64 -12.328 1.973 -2.054 469 2HB CYS 64 2HB CYS 64 -13.171 0.977 -0.870 Start of MODEL 4 1 1H LYS 1 1H LYS 1 6.708 4.992 10.034 2 2H LYS 1 2H LYS 1 6.492 5.876 11.468 3 3H LYS 1 3H LYS 1 6.414 4.180 11.494 4 HA LYS 1 HA LYS 1 4.180 5.018 11.604 5 1HB LYS 1 1HB LYS 1 5.032 7.216 10.595 6 2HB LYS 1 2HB LYS 1 4.845 6.447 9.017 7 1HG LYS 1 1HG LYS 1 2.470 5.999 10.579 8 2HG LYS 1 2HG LYS 1 2.840 7.723 10.559 9 1HD LYS 1 1HD LYS 1 2.755 7.838 8.202 10 2HD LYS 1 2HD LYS 1 2.909 6.089 8.025 11 1HE LYS 1 1HE LYS 1 0.580 6.721 7.603 12 2HE LYS 1 2HE LYS 1 0.654 5.854 9.149 13 1HZ LYS 1 1HZ LYS 1 1.241 8.583 9.566 14 2HZ LYS 1 2HZ LYS 1 -0.221 8.463 8.718 15 3HZ LYS 1 3HZ LYS 1 -0.037 7.665 10.205 16 H ASP 2 H ASP 2 2.723 3.522 10.808 17 HA ASP 2 HA ASP 2 3.541 1.986 8.363 18 1HB ASP 2 1HB ASP 2 1.670 1.051 10.543 19 2HB ASP 2 2HB ASP 2 2.645 0.077 9.442 20 H GLY 3 H GLY 3 1.926 1.588 6.780 21 1HA GLY 3 1HA GLY 3 -0.826 2.514 7.289 22 2HA GLY 3 2HA GLY 3 0.061 3.412 6.059 23 H TYR 4 H TYR 4 -2.208 2.111 5.314 24 HA TYR 4 HA TYR 4 -1.244 -0.325 3.854 25 1HB TYR 4 1HB TYR 4 -3.626 0.363 5.408 26 2HB TYR 4 2HB TYR 4 -4.033 -0.271 3.814 27 HD1 TYR 4 HD1 TYR 4 -2.775 -2.435 3.061 28 HD2 TYR 4 HD2 TYR 4 -3.064 -1.116 7.140 29 HE1 TYR 4 HE1 TYR 4 -2.260 -4.733 3.840 30 HE2 TYR 4 HE2 TYR 4 -2.548 -3.415 7.919 31 HH TYR 4 HH TYR 4 -2.657 -6.108 5.890 32 H LEU 5 H LEU 5 -0.524 0.720 1.951 33 HA LEU 5 HA LEU 5 -1.591 2.891 0.579 34 1HB LEU 5 1HB LEU 5 0.144 0.664 0.110 35 2HB LEU 5 2HB LEU 5 -0.886 0.864 -1.309 36 HG LEU 5 HG LEU 5 0.081 3.420 -0.272 37 1HD1 LEU 5 1HD1 LEU 5 2.100 1.388 -1.275 38 2HD1 LEU 5 2HD1 LEU 5 2.423 3.099 -0.992 39 3HD1 LEU 5 3HD1 LEU 5 2.026 2.041 0.362 40 1HD2 LEU 5 1HD2 LEU 5 -0.204 1.949 -2.854 41 2HD2 LEU 5 2HD2 LEU 5 -0.728 3.576 -2.427 42 3HD2 LEU 5 3HD2 LEU 5 0.967 3.266 -2.804 43 H VAL 6 H VAL 6 -2.915 2.857 -1.470 44 HA VAL 6 HA VAL 6 -5.197 0.917 -1.249 45 HB VAL 6 HB VAL 6 -6.610 2.747 -1.924 46 1HG1 VAL 6 1HG1 VAL 6 -5.461 2.697 0.455 47 2HG1 VAL 6 2HG1 VAL 6 -4.691 4.176 -0.119 48 3HG1 VAL 6 3HG1 VAL 6 -6.449 4.075 -0.026 49 1HG2 VAL 6 1HG2 VAL 6 -3.999 3.908 -2.776 50 2HG2 VAL 6 2HG2 VAL 6 -5.570 3.973 -3.573 51 3HG2 VAL 6 3HG2 VAL 6 -5.230 5.035 -2.208 52 H GLU 7 H GLU 7 -6.427 1.516 -3.651 53 HA GLU 7 HA GLU 7 -4.372 0.642 -5.655 54 1HB GLU 7 1HB GLU 7 -6.276 -0.899 -4.940 55 2HB GLU 7 2HB GLU 7 -7.374 0.240 -5.720 56 1HG GLU 7 1HG GLU 7 -6.603 -0.258 -7.851 57 2HG GLU 7 2HG GLU 7 -5.011 -0.749 -7.271 58 H LYS 8 H LYS 8 -5.076 1.277 -7.974 59 HA LYS 8 HA LYS 8 -5.007 4.005 -8.432 60 1HB LYS 8 1HB LYS 8 -5.977 1.587 -9.865 61 2HB LYS 8 2HB LYS 8 -6.479 3.137 -10.539 62 1HG LYS 8 1HG LYS 8 -4.277 3.822 -10.949 63 2HG LYS 8 2HG LYS 8 -3.604 2.686 -9.780 64 1HD LYS 8 1HD LYS 8 -3.095 1.644 -11.812 65 2HD LYS 8 2HD LYS 8 -4.613 0.863 -11.372 66 1HE LYS 8 1HE LYS 8 -5.628 1.680 -13.224 67 2HE LYS 8 2HE LYS 8 -5.115 3.332 -12.825 68 1HZ LYS 8 1HZ LYS 8 -2.824 2.580 -13.563 69 2HZ LYS 8 2HZ LYS 8 -3.591 1.243 -14.269 70 3HZ LYS 8 3HZ LYS 8 -3.974 2.813 -14.791 71 H THR 9 H THR 9 -8.050 2.125 -8.700 72 HA THR 9 HA THR 9 -9.799 4.364 -8.753 73 HB THR 9 HB THR 9 -11.306 2.361 -7.710 74 HG1 THR 9 HG1 THR 9 -9.503 1.060 -7.307 75 1HG2 THR 9 1HG2 THR 9 -10.393 3.166 -10.376 76 2HG2 THR 9 2HG2 THR 9 -10.923 1.485 -10.302 77 3HG2 THR 9 3HG2 THR 9 -12.020 2.778 -9.815 78 H GLY 10 H GLY 10 -8.237 2.743 -6.068 79 1HA GLY 10 1HA GLY 10 -8.067 4.281 -4.031 80 2HA GLY 10 2HA GLY 10 -9.820 4.429 -4.173 81 H CYS 11 H CYS 11 -10.354 1.696 -4.856 82 HA CYS 11 HA CYS 11 -10.751 0.489 -2.359 83 1HB CYS 11 1HB CYS 11 -10.504 -0.425 -5.203 84 2HB CYS 11 2HB CYS 11 -10.626 -1.650 -3.942 85 H LYS 12 H LYS 12 -9.416 -0.636 -0.956 86 HA LYS 12 HA LYS 12 -6.625 -0.502 -0.999 87 1HB LYS 12 1HB LYS 12 -6.876 -2.581 0.523 88 2HB LYS 12 2HB LYS 12 -7.741 -1.122 0.999 89 1HG LYS 12 1HG LYS 12 -9.808 -1.994 0.429 90 2HG LYS 12 2HG LYS 12 -9.133 -3.053 -0.809 91 1HD LYS 12 1HD LYS 12 -8.081 -3.755 1.795 92 2HD LYS 12 2HD LYS 12 -9.844 -3.768 1.819 93 1HE LYS 12 1HE LYS 12 -9.269 -4.989 -0.605 94 2HE LYS 12 2HE LYS 12 -8.000 -5.611 0.468 95 1HZ LYS 12 1HZ LYS 12 -10.671 -5.403 1.609 96 2HZ LYS 12 2HZ LYS 12 -10.463 -6.606 0.429 97 3HZ LYS 12 3HZ LYS 12 -9.492 -6.607 1.819 98 H LYS 13 H LYS 13 -5.278 -2.716 -0.973 99 HA LYS 13 HA LYS 13 -5.977 -4.328 -3.399 100 1HB LYS 13 1HB LYS 13 -4.238 -2.309 -3.531 101 2HB LYS 13 2HB LYS 13 -3.145 -3.515 -2.848 102 1HG LYS 13 1HG LYS 13 -3.569 -5.034 -4.686 103 2HG LYS 13 2HG LYS 13 -4.833 -3.981 -5.322 104 1HD LYS 13 1HD LYS 13 -2.849 -2.198 -5.307 105 2HD LYS 13 2HD LYS 13 -1.864 -3.658 -5.428 106 1HE LYS 13 1HE LYS 13 -2.741 -4.239 -7.518 107 2HE LYS 13 2HE LYS 13 -4.239 -3.326 -7.252 108 1HZ LYS 13 1HZ LYS 13 -2.376 -1.416 -6.983 109 2HZ LYS 13 2HZ LYS 13 -1.653 -2.392 -8.168 110 3HZ LYS 13 3HZ LYS 13 -3.200 -1.740 -8.433 111 H THR 14 H THR 14 -5.792 -6.492 -2.959 112 HA THR 14 HA THR 14 -4.294 -7.295 -0.492 113 HB THR 14 HB THR 14 -6.619 -8.456 -2.050 114 HG1 THR 14 HG1 THR 14 -7.377 -7.009 -0.659 115 1HG2 THR 14 1HG2 THR 14 -4.668 -9.924 -0.666 116 2HG2 THR 14 2HG2 THR 14 -6.026 -9.797 0.450 117 3HG2 THR 14 3HG2 THR 14 -6.266 -10.488 -1.153 118 H CYS 15 H CYS 15 -2.790 -9.024 -0.633 119 HA CYS 15 HA CYS 15 -2.128 -9.926 -3.422 120 1HB CYS 15 1HB CYS 15 0.191 -9.809 -2.796 121 2HB CYS 15 2HB CYS 15 -0.548 -8.307 -2.249 122 H TYR 16 H TYR 16 -1.494 -12.147 -3.630 123 HA TYR 16 HA TYR 16 -2.747 -13.952 -1.725 124 1HB TYR 16 1HB TYR 16 -0.980 -14.364 -4.155 125 2HB TYR 16 2HB TYR 16 -1.898 -15.640 -3.356 126 HD1 TYR 16 HD1 TYR 16 -4.429 -14.374 -2.687 127 HD2 TYR 16 HD2 TYR 16 -2.021 -13.939 -6.219 128 HE1 TYR 16 HE1 TYR 16 -6.446 -13.741 -3.986 129 HE2 TYR 16 HE2 TYR 16 -4.037 -13.305 -7.515 130 HH TYR 16 HH TYR 16 -6.215 -12.916 -7.450 131 H LYS 17 H LYS 17 0.554 -14.326 -3.022 132 HA LYS 17 HA LYS 17 1.492 -15.667 -0.645 133 1HB LYS 17 1HB LYS 17 2.600 -14.615 -3.216 134 2HB LYS 17 2HB LYS 17 3.744 -15.013 -1.934 135 1HG LYS 17 1HG LYS 17 3.140 -17.275 -1.913 136 2HG LYS 17 2HG LYS 17 1.576 -16.964 -2.667 137 1HD LYS 17 1HD LYS 17 2.439 -17.232 -4.727 138 2HD LYS 17 2HD LYS 17 3.728 -16.075 -4.392 139 1HE LYS 17 1HE LYS 17 4.032 -18.711 -3.060 140 2HE LYS 17 2HE LYS 17 4.202 -18.717 -4.828 141 1HZ LYS 17 1HZ LYS 17 5.521 -16.711 -3.086 142 2HZ LYS 17 2HZ LYS 17 6.281 -18.156 -3.555 143 3HZ LYS 17 3HZ LYS 17 5.822 -17.021 -4.729 144 H LEU 18 H LEU 18 1.360 -14.363 1.215 145 HA LEU 18 HA LEU 18 2.015 -11.572 1.322 146 1HB LEU 18 1HB LEU 18 2.066 -13.720 3.467 147 2HB LEU 18 2HB LEU 18 1.943 -11.983 3.750 148 HG LEU 18 HG LEU 18 -0.050 -13.378 1.975 149 1HD1 LEU 18 1HD1 LEU 18 0.137 -13.406 4.971 150 2HD1 LEU 18 2HD1 LEU 18 -1.452 -13.312 4.212 151 3HD1 LEU 18 3HD1 LEU 18 -0.393 -14.681 3.875 152 1HD2 LEU 18 1HD2 LEU 18 0.103 -10.876 2.079 153 2HD2 LEU 18 2HD2 LEU 18 -1.453 -11.496 2.631 154 3HD2 LEU 18 3HD2 LEU 18 -0.250 -10.964 3.804 155 H GLY 19 H GLY 19 3.861 -11.044 3.158 156 1HA GLY 19 1HA GLY 19 6.161 -11.412 3.841 157 2HA GLY 19 2HA GLY 19 6.332 -12.571 2.528 158 H GLU 20 H GLU 20 8.298 -11.310 2.027 159 HA GLU 20 HA GLU 20 8.269 -8.570 1.212 160 1HB GLU 20 1HB GLU 20 10.417 -9.147 0.207 161 2HB GLU 20 2HB GLU 20 10.255 -10.019 1.733 162 1HG GLU 20 1HG GLU 20 9.084 -11.752 -0.071 163 2HG GLU 20 2HG GLU 20 10.412 -11.064 -1.006 164 H ASN 21 H ASN 21 6.062 -8.823 0.019 165 HA ASN 21 HA ASN 21 6.044 -10.130 -2.578 166 1HB ASN 21 1HB ASN 21 4.137 -9.429 -0.917 167 2HB ASN 21 2HB ASN 21 4.243 -7.870 -1.733 168 1HD2 ASN 21 2HD2 ASN 21 2.528 -10.696 -1.840 169 2HD2 ASN 21 1HD2 ASN 21 2.133 -10.733 -3.491 170 H ASP 22 H ASP 22 7.833 -9.276 -3.757 171 HA ASP 22 HA ASP 22 8.837 -6.758 -4.067 172 1HB ASP 22 1HB ASP 22 8.088 -8.773 -6.205 173 2HB ASP 22 2HB ASP 22 9.212 -7.438 -6.455 174 H PHE 23 H PHE 23 5.810 -7.906 -5.620 175 HA PHE 23 HA PHE 23 5.210 -5.616 -7.155 176 1HB PHE 23 1HB PHE 23 3.985 -8.007 -6.377 177 2HB PHE 23 2HB PHE 23 2.894 -6.753 -5.784 178 HD1 PHE 23 HD1 PHE 23 3.461 -4.615 -7.822 179 HD2 PHE 23 HD2 PHE 23 2.778 -8.833 -8.269 180 HE1 PHE 23 HE1 PHE 23 2.635 -4.236 -10.130 181 HE2 PHE 23 HE2 PHE 23 1.953 -8.454 -10.577 182 HZ PHE 23 HZ PHE 23 1.881 -6.156 -11.507 183 H CYS 24 H CYS 24 4.169 -6.290 -3.777 184 HA CYS 24 HA CYS 24 3.075 -3.654 -3.341 185 1HB CYS 24 1HB CYS 24 4.022 -5.930 -1.582 186 2HB CYS 24 2HB CYS 24 3.334 -4.455 -0.906 187 H ASN 25 H ASN 25 6.187 -5.171 -2.407 188 HA ASN 25 HA ASN 25 7.374 -2.971 -1.084 189 1HB ASN 25 1HB ASN 25 8.296 -5.243 -1.152 190 2HB ASN 25 2HB ASN 25 8.554 -5.112 -2.891 191 1HD2 ASN 25 2HD2 ASN 25 10.711 -5.615 -1.032 192 2HD2 ASN 25 1HD2 ASN 25 11.750 -4.274 -1.063 193 H ARG 26 H ARG 26 7.456 -3.838 -4.543 194 HA ARG 26 HA ARG 26 9.024 -1.629 -5.445 195 1HB ARG 26 1HB ARG 26 8.194 -3.873 -6.538 196 2HB ARG 26 2HB ARG 26 6.812 -2.899 -7.044 197 1HG ARG 26 1HG ARG 26 8.592 -1.211 -7.897 198 2HG ARG 26 2HG ARG 26 9.717 -2.566 -7.773 199 1HD ARG 26 1HD ARG 26 8.959 -3.354 -9.754 200 2HD ARG 26 2HD ARG 26 7.335 -3.512 -9.061 201 HE ARG 26 HE ARG 26 7.675 -0.771 -9.558 202 1HH1 ARG 26 1HH1 ARG 26 7.746 -3.732 -11.337 203 2HH1 ARG 26 2HH1 ARG 26 7.218 -3.003 -12.816 204 1HH2 ARG 26 1HH2 ARG 26 6.987 0.187 -11.484 205 2HH2 ARG 26 2HH2 ARG 26 6.794 -0.790 -12.902 206 H GLU 27 H GLU 27 5.465 -2.050 -5.264 207 HA GLU 27 HA GLU 27 4.801 0.536 -6.313 208 1HB GLU 27 1HB GLU 27 3.331 -1.519 -6.007 209 2HB GLU 27 2HB GLU 27 3.260 -1.118 -4.290 210 1HG GLU 27 1HG GLU 27 2.626 1.290 -5.319 211 2HG GLU 27 2HG GLU 27 2.006 0.260 -6.610 212 H CYS 28 H CYS 28 5.585 -0.611 -3.057 213 HA CYS 28 HA CYS 28 4.859 1.917 -1.772 214 1HB CYS 28 1HB CYS 28 5.518 -0.781 -1.076 215 2HB CYS 28 2HB CYS 28 6.618 0.289 -0.205 216 H LYS 29 H LYS 29 7.489 0.826 -3.628 217 HA LYS 29 HA LYS 29 9.319 2.867 -2.407 218 1HB LYS 29 1HB LYS 29 10.048 0.485 -2.368 219 2HB LYS 29 2HB LYS 29 9.908 0.431 -4.124 220 1HG LYS 29 1HG LYS 29 12.201 0.868 -3.753 221 2HG LYS 29 2HG LYS 29 11.524 2.456 -4.116 222 1HD LYS 29 1HD LYS 29 11.270 1.900 -1.292 223 2HD LYS 29 2HD LYS 29 12.948 1.701 -1.798 224 1HE LYS 29 1HE LYS 29 12.728 3.960 -2.983 225 2HE LYS 29 2HE LYS 29 11.204 4.161 -2.096 226 1HZ LYS 29 1HZ LYS 29 13.418 3.183 -0.510 227 2HZ LYS 29 2HZ LYS 29 13.619 4.768 -1.083 228 3HZ LYS 29 3HZ LYS 29 12.265 4.375 -0.142 229 H TRP 30 H TRP 30 7.291 2.276 -5.042 230 HA TRP 30 HA TRP 30 8.815 3.303 -7.230 231 1HB TRP 30 1HB TRP 30 6.707 3.381 -8.334 232 2HB TRP 30 2HB TRP 30 6.623 2.029 -7.215 233 HD1 TRP 30 HD1 TRP 30 4.013 3.286 -8.224 234 HE1 TRP 30 HE1 TRP 30 2.371 4.439 -6.619 235 HE3 TRP 30 HE3 TRP 30 7.167 4.440 -4.332 236 HZ2 TRP 30 HZ2 TRP 30 2.370 5.675 -4.059 237 HZ3 TRP 30 HZ3 TRP 30 6.297 5.598 -2.337 238 HH2 TRP 30 HH2 TRP 30 3.904 6.220 -2.192 239 H LYS 31 H LYS 31 6.994 5.452 -8.090 240 HA LYS 31 HA LYS 31 7.962 7.607 -6.235 241 1HB LYS 31 1HB LYS 31 7.991 7.211 -9.196 242 2HB LYS 31 2HB LYS 31 7.810 8.858 -8.595 243 1HG LYS 31 1HG LYS 31 9.990 8.960 -8.051 244 2HG LYS 31 2HG LYS 31 9.858 7.483 -7.094 245 1HD LYS 31 1HD LYS 31 11.038 6.394 -8.669 246 2HD LYS 31 2HD LYS 31 9.736 6.700 -9.819 247 1HE LYS 31 1HE LYS 31 10.813 9.041 -10.123 248 2HE LYS 31 2HE LYS 31 12.240 8.325 -9.349 249 1HZ LYS 31 1HZ LYS 31 10.806 7.014 -11.588 250 2HZ LYS 31 2HZ LYS 31 12.115 8.069 -11.840 251 3HZ LYS 31 3HZ LYS 31 12.336 6.629 -10.964 252 H HIS 32 H HIS 32 6.407 8.910 -5.417 253 HA HIS 32 HA HIS 32 4.189 10.018 -6.762 254 1HB HIS 32 1HB HIS 32 3.335 7.780 -7.039 255 2HB HIS 32 2HB HIS 32 3.667 7.383 -5.353 256 HD1 HIS 32 HD1 HIS 32 1.981 10.515 -6.681 257 HD2 HIS 32 HD2 HIS 32 1.067 7.180 -4.352 258 HE1 HIS 32 HE1 HIS 32 -0.341 10.907 -5.751 259 H ILE 33 H ILE 33 4.783 8.393 -3.621 260 HA ILE 33 HA ILE 33 4.023 10.952 -2.250 261 HB ILE 33 HB ILE 33 3.691 8.019 -1.620 262 1HG1 ILE 33 1HG1 ILE 33 1.910 9.280 -2.838 263 2HG1 ILE 33 2HG1 ILE 33 1.367 8.684 -1.270 264 1HG2 ILE 33 1HG2 ILE 33 3.577 10.343 0.325 265 2HG2 ILE 33 2HG2 ILE 33 2.921 8.741 0.661 266 3HG2 ILE 33 3HG2 ILE 33 4.654 8.949 0.406 267 1HD1 ILE 33 1HD1 ILE 33 2.244 11.050 -0.445 268 2HD1 ILE 33 2HD1 ILE 33 1.960 11.489 -2.130 269 3HD1 ILE 33 3HD1 ILE 33 0.634 10.878 -1.141 270 H GLY 34 H GLY 34 5.806 8.020 -1.240 271 1HA GLY 34 1HA GLY 34 8.399 8.528 -1.213 272 2HA GLY 34 2HA GLY 34 7.896 9.790 -0.090 273 H GLY 35 H GLY 35 8.134 6.309 -0.551 274 1HA GLY 35 1HA GLY 35 7.594 5.960 2.372 275 2HA GLY 35 2HA GLY 35 7.309 4.702 1.167 276 H SER 36 H SER 36 8.985 4.366 3.479 277 HA SER 36 HA SER 36 11.765 4.488 2.446 278 1HB SER 36 1HB SER 36 12.185 3.653 4.816 279 2HB SER 36 2HB SER 36 11.392 5.221 4.701 280 HG SER 36 HG SER 36 10.390 2.737 5.494 281 H TYR 37 H TYR 37 9.652 1.999 3.944 282 HA TYR 37 HA TYR 37 10.798 -0.022 2.069 283 1HB TYR 37 1HB TYR 37 11.964 0.241 4.396 284 2HB TYR 37 2HB TYR 37 10.525 -0.563 5.022 285 HD1 TYR 37 HD1 TYR 37 12.974 -0.928 2.193 286 HD2 TYR 37 HD2 TYR 37 10.565 -2.886 5.163 287 HE1 TYR 37 HE1 TYR 37 13.895 -3.125 1.493 288 HE2 TYR 37 HE2 TYR 37 11.484 -5.079 4.463 289 HH TYR 37 HH TYR 37 12.529 -6.011 2.248 290 H GLY 38 H GLY 38 9.140 -1.299 1.287 291 1HA GLY 38 1HA GLY 38 6.660 -1.478 2.946 292 2HA GLY 38 2HA GLY 38 6.573 -1.148 1.218 293 H TYR 39 H TYR 39 5.225 -3.278 2.153 294 HA TYR 39 HA TYR 39 6.202 -5.479 0.595 295 1HB TYR 39 1HB TYR 39 6.860 -6.983 2.407 296 2HB TYR 39 2HB TYR 39 7.803 -5.499 2.545 297 HD1 TYR 39 HD1 TYR 39 6.901 -3.658 4.102 298 HD2 TYR 39 HD2 TYR 39 5.539 -7.729 4.211 299 HE1 TYR 39 HE1 TYR 39 6.017 -3.297 6.390 300 HE2 TYR 39 HE2 TYR 39 4.655 -7.369 6.500 301 HH TYR 39 HH TYR 39 4.563 -4.177 7.953 302 H CYS 40 H CYS 40 4.806 -7.590 1.559 303 HA CYS 40 HA CYS 40 2.063 -6.450 1.916 304 1HB CYS 40 1HB CYS 40 3.042 -8.103 0.000 305 2HB CYS 40 2HB CYS 40 2.455 -9.293 1.165 306 H TYR 41 H TYR 41 1.067 -6.771 3.827 307 HA TYR 41 HA TYR 41 1.978 -9.045 5.561 308 1HB TYR 41 1HB TYR 41 2.734 -6.707 6.224 309 2HB TYR 41 2HB TYR 41 1.032 -6.305 6.457 310 HD1 TYR 41 HD1 TYR 41 2.986 -9.411 7.223 311 HD2 TYR 41 HD2 TYR 41 0.621 -6.172 8.765 312 HE1 TYR 41 HE1 TYR 41 3.052 -10.436 9.479 313 HE2 TYR 41 HE2 TYR 41 0.687 -7.200 11.022 314 HH TYR 41 HH TYR 41 1.141 -10.026 11.739 315 H GLY 42 H GLY 42 0.294 -10.313 6.318 316 1HA GLY 42 1HA GLY 42 -1.913 -11.000 6.773 317 2HA GLY 42 2HA GLY 42 -2.398 -9.305 6.671 318 H PHE 43 H PHE 43 -2.442 -8.396 4.377 319 HA PHE 43 HA PHE 43 -2.620 -10.159 2.100 320 1HB PHE 43 1HB PHE 43 -4.965 -9.762 3.864 321 2HB PHE 43 2HB PHE 43 -5.287 -9.600 2.140 322 HD1 PHE 43 HD1 PHE 43 -3.835 -11.472 0.716 323 HD2 PHE 43 HD2 PHE 43 -5.349 -11.892 4.711 324 HE1 PHE 43 HE1 PHE 43 -3.782 -13.940 0.475 325 HE2 PHE 43 HE2 PHE 43 -5.297 -14.360 4.471 326 HZ PHE 43 HZ PHE 43 -4.513 -15.384 2.353 327 H GLY 44 H GLY 44 -1.303 -7.929 1.918 328 1HA GLY 44 1HA GLY 44 -2.391 -6.349 -0.074 329 2HA GLY 44 2HA GLY 44 -2.934 -5.567 1.410 330 H CYS 45 H CYS 45 -1.147 -4.344 -0.450 331 HA CYS 45 HA CYS 45 1.609 -4.599 0.372 332 1HB CYS 45 1HB CYS 45 0.160 -2.245 -0.883 333 2HB CYS 45 2HB CYS 45 1.879 -2.616 -1.006 334 H TYR 46 H TYR 46 2.381 -3.975 2.337 335 HA TYR 46 HA TYR 46 0.994 -1.739 3.783 336 1HB TYR 46 1HB TYR 46 1.010 -4.161 4.660 337 2HB TYR 46 2HB TYR 46 2.734 -3.924 4.949 338 HD1 TYR 46 HD1 TYR 46 -0.565 -2.260 5.597 339 HD2 TYR 46 HD2 TYR 46 3.428 -3.018 6.983 340 HE1 TYR 46 HE1 TYR 46 -1.078 -1.082 7.718 341 HE2 TYR 46 HE2 TYR 46 2.917 -1.839 9.104 342 HH TYR 46 HH TYR 46 -0.351 -0.675 9.817 343 H CYS 47 H CYS 47 2.257 0.050 4.270 344 HA CYS 47 HA CYS 47 5.184 -0.159 3.646 345 1HB CYS 47 1HB CYS 47 3.090 1.633 2.903 346 2HB CYS 47 2HB CYS 47 4.237 2.535 3.893 347 H GLU 48 H GLU 48 6.684 0.585 5.172 348 HA GLU 48 HA GLU 48 5.587 1.452 7.829 349 1HB GLU 48 1HB GLU 48 7.635 -0.608 7.029 350 2HB GLU 48 2HB GLU 48 7.703 0.131 8.629 351 1HG GLU 48 1HG GLU 48 4.988 -0.590 8.109 352 2HG GLU 48 2HG GLU 48 6.001 -1.985 7.741 353 H GLY 49 H GLY 49 6.107 3.652 7.642 354 1HA GLY 49 1HA GLY 49 8.128 5.053 8.374 355 2HA GLY 49 2HA GLY 49 8.953 4.311 7.001 356 H LEU 50 H LEU 50 5.603 5.451 7.166 357 HA LEU 50 HA LEU 50 6.120 7.118 4.758 358 1HB LEU 50 1HB LEU 50 3.486 6.486 6.110 359 2HB LEU 50 2HB LEU 50 3.752 6.946 4.432 360 HG LEU 50 HG LEU 50 5.114 4.469 5.403 361 1HD1 LEU 50 1HD1 LEU 50 2.663 4.525 6.235 362 2HD1 LEU 50 2HD1 LEU 50 2.229 4.392 4.531 363 3HD1 LEU 50 3HD1 LEU 50 3.179 3.122 5.300 364 1HD2 LEU 50 1HD2 LEU 50 4.592 5.790 2.945 365 2HD2 LEU 50 2HD2 LEU 50 5.407 4.243 3.181 366 3HD2 LEU 50 3HD2 LEU 50 3.662 4.291 2.923 367 HA PRO 51 HA PRO 51 6.098 10.818 7.221 368 1HB PRO 51 1HB PRO 51 5.092 12.395 5.066 369 2HB PRO 51 2HB PRO 51 6.779 12.198 5.552 370 1HG PRO 51 1HG PRO 51 5.436 11.120 3.219 371 2HG PRO 51 2HG PRO 51 7.154 11.074 3.622 372 1HD PRO 51 1HD PRO 51 5.309 8.888 3.686 373 2HD PRO 51 2HD PRO 51 7.002 8.882 4.238 374 H ASP 52 H ASP 52 4.432 12.618 7.753 375 HA ASP 52 HA ASP 52 1.870 11.424 8.354 376 1HB ASP 52 1HB ASP 52 2.733 14.332 8.397 377 2HB ASP 52 2HB ASP 52 1.448 13.597 9.354 378 H SER 53 H SER 53 3.082 13.339 5.685 379 HA SER 53 HA SER 53 0.399 14.111 4.741 380 1HB SER 53 1HB SER 53 2.494 14.400 2.791 381 2HB SER 53 2HB SER 53 1.670 15.662 3.700 382 HG SER 53 HG SER 53 3.331 15.783 4.986 383 H THR 54 H THR 54 1.827 11.209 4.858 384 HA THR 54 HA THR 54 1.644 10.298 2.095 385 HB THR 54 HB THR 54 1.634 8.640 4.622 386 HG1 THR 54 HG1 THR 54 3.747 10.060 3.385 387 1HG2 THR 54 1HG2 THR 54 1.680 7.963 1.942 388 2HG2 THR 54 2HG2 THR 54 3.387 7.931 2.382 389 3HG2 THR 54 3HG2 THR 54 2.230 6.934 3.265 390 H GLN 55 H GLN 55 -0.018 9.044 1.176 391 HA GLN 55 HA GLN 55 -2.663 9.212 2.528 392 1HB GLN 55 1HB GLN 55 -2.038 9.920 0.095 393 2HB GLN 55 2HB GLN 55 -2.063 8.192 -0.252 394 1HG GLN 55 1HG GLN 55 -4.253 9.367 -0.691 395 2HG GLN 55 2HG GLN 55 -4.371 8.016 0.440 396 1HE2 GLN 55 2HE2 GLN 55 -5.597 8.529 2.247 397 2HE2 GLN 55 1HE2 GLN 55 -5.713 10.071 2.948 398 H THR 56 H THR 56 -3.808 7.316 3.108 399 HA THR 56 HA THR 56 -2.699 4.674 2.331 400 HB THR 56 HB THR 56 -1.418 5.412 4.307 401 HG1 THR 56 HG1 THR 56 -3.209 3.304 4.397 402 1HG2 THR 56 1HG2 THR 56 -3.562 6.807 5.042 403 2HG2 THR 56 2HG2 THR 56 -3.887 5.354 5.986 404 3HG2 THR 56 3HG2 THR 56 -2.386 6.247 6.231 405 H TRP 57 H TRP 57 -4.178 2.921 2.853 406 HA TRP 57 HA TRP 57 -6.971 3.599 2.611 407 1HB TRP 57 1HB TRP 57 -5.559 1.509 1.889 408 2HB TRP 57 2HB TRP 57 -5.885 0.944 3.526 409 HD1 TRP 57 HD1 TRP 57 -7.564 1.567 0.189 410 HE1 TRP 57 HE1 TRP 57 -9.972 0.650 0.269 411 HE3 TRP 57 HE3 TRP 57 -7.933 0.497 5.165 412 HZ2 TRP 57 HZ2 TRP 57 -11.812 -0.400 2.191 413 HZ3 TRP 57 HZ3 TRP 57 -10.021 -0.458 6.094 414 HH2 TRP 57 HH2 TRP 57 -11.961 -0.906 4.616 415 HA PRO 58 HA PRO 58 -8.814 3.262 2.992 416 1HB PRO 58 1HB PRO 58 -10.798 4.677 4.398 417 2HB PRO 58 2HB PRO 58 -10.787 2.938 4.089 418 1HG PRO 58 1HG PRO 58 -10.392 4.328 6.609 419 2HG PRO 58 2HG PRO 58 -10.580 2.597 6.320 420 1HD PRO 58 1HD PRO 58 -8.151 4.045 6.946 421 2HD PRO 58 2HD PRO 58 -8.350 2.292 6.698 422 H LEU 59 H LEU 59 -9.684 5.319 1.913 423 HA LEU 59 HA LEU 59 -7.831 7.570 2.432 424 1HB LEU 59 1HB LEU 59 -9.321 6.402 0.223 425 2HB LEU 59 2HB LEU 59 -9.559 8.149 0.294 426 HG LEU 59 HG LEU 59 -7.133 8.505 0.339 427 1HD1 LEU 59 1HD1 LEU 59 -7.157 5.717 1.061 428 2HD1 LEU 59 2HD1 LEU 59 -6.140 5.949 -0.361 429 3HD1 LEU 59 3HD1 LEU 59 -5.815 6.859 1.114 430 1HD2 LEU 59 1HD2 LEU 59 -8.610 7.678 -1.837 431 2HD2 LEU 59 2HD2 LEU 59 -6.968 8.318 -1.921 432 3HD2 LEU 59 3HD2 LEU 59 -7.234 6.576 -1.882 433 HA PRO 60 HA PRO 60 -10.560 10.505 4.223 434 1HB PRO 60 1HB PRO 60 -10.884 12.197 1.884 435 2HB PRO 60 2HB PRO 60 -9.941 12.502 3.347 436 1HG PRO 60 1HG PRO 60 -8.947 11.858 0.754 437 2HG PRO 60 2HG PRO 60 -8.015 12.059 2.240 438 1HD PRO 60 1HD PRO 60 -8.536 9.620 0.799 439 2HD PRO 60 2HD PRO 60 -7.617 9.815 2.311 440 H ASN 61 H ASN 61 -12.703 11.951 3.302 441 HA ASN 61 HA ASN 61 -14.819 10.095 3.111 442 1HB ASN 61 1HB ASN 61 -14.745 12.636 3.640 443 2HB ASN 61 2HB ASN 61 -14.884 12.859 1.896 444 1HD2 ASN 61 2HD2 ASN 61 -16.910 13.420 4.094 445 2HD2 ASN 61 1HD2 ASN 61 -18.295 12.553 3.636 446 H LYS 62 H LYS 62 -12.626 11.182 0.664 447 HA LYS 62 HA LYS 62 -14.429 10.299 -1.534 448 1HB LYS 62 1HB LYS 62 -11.698 11.620 -1.428 449 2HB LYS 62 2HB LYS 62 -12.553 11.242 -2.925 450 1HG LYS 62 1HG LYS 62 -14.374 12.596 -1.187 451 2HG LYS 62 2HG LYS 62 -12.879 13.530 -1.249 452 1HD LYS 62 1HD LYS 62 -14.499 12.579 -3.630 453 2HD LYS 62 2HD LYS 62 -14.355 14.242 -3.061 454 1HE LYS 62 1HE LYS 62 -12.181 12.507 -4.271 455 2HE LYS 62 2HE LYS 62 -12.783 14.070 -4.859 456 1HZ LYS 62 1HZ LYS 62 -12.105 14.990 -2.643 457 2HZ LYS 62 2HZ LYS 62 -11.283 13.531 -2.357 458 3HZ LYS 62 3HZ LYS 62 -10.816 14.526 -3.648 459 H THR 63 H THR 63 -13.812 8.136 0.009 460 HA THR 63 HA THR 63 -11.360 6.792 -0.819 461 HB THR 63 HB THR 63 -12.446 6.375 1.331 462 HG1 THR 63 HG1 THR 63 -12.482 4.137 1.205 463 1HG2 THR 63 1HG2 THR 63 -14.800 6.555 -0.139 464 2HG2 THR 63 2HG2 THR 63 -14.711 4.849 0.301 465 3HG2 THR 63 3HG2 THR 63 -14.675 6.087 1.558 466 H CYS 64 H CYS 64 -12.137 4.259 -1.491 467 HA CYS 64 HA CYS 64 -12.608 4.347 -4.280 468 1HB CYS 64 1HB CYS 64 -11.675 2.486 -2.813 469 2HB CYS 64 2HB CYS 64 -13.340 2.096 -2.388 Start of MODEL 5 1 1H LYS 1 1H LYS 1 5.924 7.181 7.438 2 2H LYS 1 2H LYS 1 5.760 8.428 8.582 3 3H LYS 1 3H LYS 1 6.383 6.922 9.053 4 HA LYS 1 HA LYS 1 4.213 6.765 9.806 5 1HB LYS 1 1HB LYS 1 3.940 9.003 8.354 6 2HB LYS 1 2HB LYS 1 3.090 7.892 7.279 7 1HG LYS 1 1HG LYS 1 1.928 7.116 9.529 8 2HG LYS 1 2HG LYS 1 2.396 8.730 10.069 9 1HD LYS 1 1HD LYS 1 0.121 8.709 9.068 10 2HD LYS 1 2HD LYS 1 1.234 9.734 8.159 11 1HE LYS 1 1HE LYS 1 1.052 8.438 6.299 12 2HE LYS 1 2HE LYS 1 1.250 6.943 7.235 13 1HZ LYS 1 1HZ LYS 1 -1.221 8.583 7.299 14 2HZ LYS 1 2HZ LYS 1 -1.014 7.270 6.242 15 3HZ LYS 1 3HZ LYS 1 -1.000 7.017 7.918 16 H ASP 2 H ASP 2 2.672 5.077 9.322 17 HA ASP 2 HA ASP 2 3.448 3.381 6.975 18 1HB ASP 2 1HB ASP 2 1.948 2.517 9.453 19 2HB ASP 2 2HB ASP 2 2.909 1.523 8.358 20 H GLY 3 H GLY 3 1.924 3.331 5.361 21 1HA GLY 3 1HA GLY 3 -0.940 3.645 6.156 22 2HA GLY 3 2HA GLY 3 -0.288 4.520 4.771 23 H TYR 4 H TYR 4 -2.238 3.162 3.904 24 HA TYR 4 HA TYR 4 -1.230 0.501 2.946 25 1HB TYR 4 1HB TYR 4 -3.818 1.541 3.979 26 2HB TYR 4 2HB TYR 4 -3.930 0.434 2.611 27 HD1 TYR 4 HD1 TYR 4 -2.615 -1.791 2.773 28 HD2 TYR 4 HD2 TYR 4 -3.492 0.715 6.149 29 HE1 TYR 4 HE1 TYR 4 -2.236 -3.711 4.296 30 HE2 TYR 4 HE2 TYR 4 -3.111 -1.204 7.673 31 HH TYR 4 HH TYR 4 -2.402 -4.446 6.401 32 H LEU 5 H LEU 5 -1.802 -0.008 0.694 33 HA LEU 5 HA LEU 5 -1.870 2.392 -1.029 34 1HB LEU 5 1HB LEU 5 -1.130 -0.449 -1.193 35 2HB LEU 5 2HB LEU 5 -1.959 0.140 -2.634 36 HG LEU 5 HG LEU 5 0.122 1.946 -1.547 37 1HD1 LEU 5 1HD1 LEU 5 0.667 -0.870 -2.291 38 2HD1 LEU 5 2HD1 LEU 5 1.695 0.329 -3.075 39 3HD1 LEU 5 3HD1 LEU 5 1.627 0.241 -1.315 40 1HD2 LEU 5 1HD2 LEU 5 -1.254 2.198 -3.690 41 2HD2 LEU 5 2HD2 LEU 5 0.492 2.368 -3.875 42 3HD2 LEU 5 3HD2 LEU 5 -0.302 0.864 -4.344 43 H VAL 6 H VAL 6 -3.655 2.971 -2.268 44 HA VAL 6 HA VAL 6 -6.173 1.443 -1.757 45 HB VAL 6 HB VAL 6 -7.248 3.590 -2.317 46 1HG1 VAL 6 1HG1 VAL 6 -6.277 3.102 -0.009 47 2HG1 VAL 6 2HG1 VAL 6 -4.916 4.124 -0.470 48 3HG1 VAL 6 3HG1 VAL 6 -6.541 4.804 -0.387 49 1HG2 VAL 6 1HG2 VAL 6 -4.931 4.047 -3.772 50 2HG2 VAL 6 2HG2 VAL 6 -6.175 5.250 -3.432 51 3HG2 VAL 6 3HG2 VAL 6 -4.754 5.132 -2.393 52 H GLU 7 H GLU 7 -7.739 2.116 -3.850 53 HA GLU 7 HA GLU 7 -6.210 1.594 -6.357 54 1HB GLU 7 1HB GLU 7 -7.432 -0.387 -4.825 55 2HB GLU 7 2HB GLU 7 -8.605 -0.057 -6.101 56 1HG GLU 7 1HG GLU 7 -6.677 -0.241 -7.755 57 2HG GLU 7 2HG GLU 7 -5.707 -0.868 -6.422 58 H LYS 8 H LYS 8 -7.981 1.432 -8.218 59 HA LYS 8 HA LYS 8 -9.120 3.872 -8.765 60 1HB LYS 8 1HB LYS 8 -8.973 1.826 -10.214 61 2HB LYS 8 2HB LYS 8 -10.365 1.169 -9.352 62 1HG LYS 8 1HG LYS 8 -11.227 2.204 -11.334 63 2HG LYS 8 2HG LYS 8 -11.616 3.287 -9.996 64 1HD LYS 8 1HD LYS 8 -10.735 4.706 -11.682 65 2HD LYS 8 2HD LYS 8 -9.409 4.483 -10.542 66 1HE LYS 8 1HE LYS 8 -9.364 2.350 -12.497 67 2HE LYS 8 2HE LYS 8 -9.372 3.921 -13.320 68 1HZ LYS 8 1HZ LYS 8 -7.726 4.290 -11.166 69 2HZ LYS 8 2HZ LYS 8 -7.323 2.735 -11.706 70 3HZ LYS 8 3HZ LYS 8 -7.228 4.055 -12.770 71 H THR 9 H THR 9 -11.096 1.164 -7.501 72 HA THR 9 HA THR 9 -13.340 2.821 -6.809 73 HB THR 9 HB THR 9 -13.697 0.619 -5.322 74 HG1 THR 9 HG1 THR 9 -12.377 -0.981 -5.872 75 1HG2 THR 9 1HG2 THR 9 -14.466 1.473 -7.824 76 2HG2 THR 9 2HG2 THR 9 -13.700 -0.075 -8.179 77 3HG2 THR 9 3HG2 THR 9 -15.043 0.003 -7.039 78 H GLY 10 H GLY 10 -10.367 2.053 -5.149 79 1HA GLY 10 1HA GLY 10 -9.735 3.651 -3.331 80 2HA GLY 10 2HA GLY 10 -11.397 3.518 -2.751 81 H CYS 11 H CYS 11 -10.983 0.493 -3.619 82 HA CYS 11 HA CYS 11 -10.593 -0.526 -0.977 83 1HB CYS 11 1HB CYS 11 -10.738 -1.560 -3.774 84 2HB CYS 11 2HB CYS 11 -10.105 -2.654 -2.542 85 H LYS 12 H LYS 12 -8.737 -2.158 -0.502 86 HA LYS 12 HA LYS 12 -6.182 -0.744 -0.897 87 1HB LYS 12 1HB LYS 12 -6.602 -3.356 0.545 88 2HB LYS 12 2HB LYS 12 -5.487 -2.050 0.934 89 1HG LYS 12 1HG LYS 12 -7.037 -1.394 2.451 90 2HG LYS 12 2HG LYS 12 -7.956 -0.805 1.064 91 1HD LYS 12 1HD LYS 12 -9.555 -2.207 1.933 92 2HD LYS 12 2HD LYS 12 -8.674 -3.396 0.971 93 1HE LYS 12 1HE LYS 12 -8.214 -2.819 3.922 94 2HE LYS 12 2HE LYS 12 -8.989 -4.267 3.249 95 1HZ LYS 12 1HZ LYS 12 -6.951 -4.600 1.900 96 2HZ LYS 12 2HZ LYS 12 -6.209 -3.338 2.765 97 3HZ LYS 12 3HZ LYS 12 -6.684 -4.754 3.570 98 H LYS 13 H LYS 13 -4.256 -2.550 -1.041 99 HA LYS 13 HA LYS 13 -4.770 -4.039 -3.590 100 1HB LYS 13 1HB LYS 13 -2.590 -2.414 -2.435 101 2HB LYS 13 2HB LYS 13 -2.045 -3.888 -3.236 102 1HG LYS 13 1HG LYS 13 -3.419 -3.243 -5.235 103 2HG LYS 13 2HG LYS 13 -3.780 -1.711 -4.438 104 1HD LYS 13 1HD LYS 13 -1.913 -0.993 -5.538 105 2HD LYS 13 2HD LYS 13 -1.069 -1.764 -4.195 106 1HE LYS 13 1HE LYS 13 -1.160 -3.927 -5.630 107 2HE LYS 13 2HE LYS 13 -1.530 -2.839 -6.982 108 1HZ LYS 13 1HZ LYS 13 0.558 -1.786 -5.360 109 2HZ LYS 13 2HZ LYS 13 0.965 -3.339 -5.912 110 3HZ LYS 13 3HZ LYS 13 0.563 -2.119 -7.022 111 H THR 14 H THR 14 -5.436 -6.064 -2.794 112 HA THR 14 HA THR 14 -4.266 -7.385 -0.513 113 HB THR 14 HB THR 14 -5.824 -8.427 -2.901 114 HG1 THR 14 HG1 THR 14 -7.293 -7.220 -2.032 115 1HG2 THR 14 1HG2 THR 14 -5.439 -9.559 -0.119 116 2HG2 THR 14 2HG2 THR 14 -6.501 -10.231 -1.354 117 3HG2 THR 14 3HG2 THR 14 -4.754 -10.220 -1.602 118 H CYS 15 H CYS 15 -2.962 -9.352 -0.585 119 HA CYS 15 HA CYS 15 -1.396 -9.797 -3.091 120 1HB CYS 15 1HB CYS 15 0.635 -9.896 -1.509 121 2HB CYS 15 2HB CYS 15 -0.033 -8.296 -1.825 122 H TYR 16 H TYR 16 -0.648 -11.980 -3.276 123 HA TYR 16 HA TYR 16 -2.096 -13.918 -1.593 124 1HB TYR 16 1HB TYR 16 -0.164 -14.313 -3.899 125 2HB TYR 16 2HB TYR 16 -1.335 -15.486 -3.294 126 HD1 TYR 16 HD1 TYR 16 -3.807 -14.928 -3.416 127 HD2 TYR 16 HD2 TYR 16 -0.802 -12.638 -5.461 128 HE1 TYR 16 HE1 TYR 16 -5.552 -13.954 -4.885 129 HE2 TYR 16 HE2 TYR 16 -2.546 -11.662 -6.931 130 HH TYR 16 HH TYR 16 -5.049 -11.247 -6.784 131 H LYS 17 H LYS 17 1.162 -12.668 -1.916 132 HA LYS 17 HA LYS 17 2.209 -14.820 -0.126 133 1HB LYS 17 1HB LYS 17 3.539 -12.674 -1.812 134 2HB LYS 17 2HB LYS 17 4.404 -13.884 -0.865 135 1HG LYS 17 1HG LYS 17 4.104 -15.454 -2.453 136 2HG LYS 17 2HG LYS 17 2.373 -15.120 -2.536 137 1HD LYS 17 1HD LYS 17 2.688 -14.104 -4.516 138 2HD LYS 17 2HD LYS 17 3.700 -12.902 -3.714 139 1HE LYS 17 1HE LYS 17 5.524 -14.847 -3.869 140 2HE LYS 17 2HE LYS 17 4.516 -15.338 -5.246 141 1HZ LYS 17 1HZ LYS 17 5.163 -12.495 -4.898 142 2HZ LYS 17 2HZ LYS 17 6.350 -13.519 -5.547 143 3HZ LYS 17 3HZ LYS 17 4.848 -13.363 -6.326 144 H LEU 18 H LEU 18 1.557 -14.117 1.941 145 HA LEU 18 HA LEU 18 1.666 -11.361 2.811 146 1HB LEU 18 1HB LEU 18 1.628 -13.963 4.374 147 2HB LEU 18 2HB LEU 18 1.162 -12.378 4.990 148 HG LEU 18 HG LEU 18 -0.193 -13.896 2.742 149 1HD1 LEU 18 1HD1 LEU 18 -0.892 -13.288 5.615 150 2HD1 LEU 18 2HD1 LEU 18 -2.138 -13.666 4.427 151 3HD1 LEU 18 3HD1 LEU 18 -0.885 -14.850 4.798 152 1HD2 LEU 18 1HD2 LEU 18 -0.650 -11.135 3.905 153 2HD2 LEU 18 2HD2 LEU 18 -0.291 -11.547 2.227 154 3HD2 LEU 18 3HD2 LEU 18 -1.852 -11.979 2.929 155 H GLY 19 H GLY 19 3.093 -10.586 4.559 156 1HA GLY 19 1HA GLY 19 5.187 -10.207 5.529 157 2HA GLY 19 2HA GLY 19 5.487 -11.933 5.365 158 H GLU 20 H GLU 20 7.400 -9.908 4.984 159 HA GLU 20 HA GLU 20 8.766 -8.852 3.275 160 1HB GLU 20 1HB GLU 20 9.407 -11.227 4.249 161 2HB GLU 20 2HB GLU 20 9.166 -11.735 2.576 162 1HG GLU 20 1HG GLU 20 11.472 -11.146 2.732 163 2HG GLU 20 2HG GLU 20 10.694 -9.787 1.919 164 H ASN 21 H ASN 21 6.306 -8.591 2.061 165 HA ASN 21 HA ASN 21 6.199 -10.055 -0.471 166 1HB ASN 21 1HB ASN 21 4.279 -9.070 0.914 167 2HB ASN 21 2HB ASN 21 4.777 -7.494 0.295 168 1HD2 ASN 21 2HD2 ASN 21 2.737 -10.106 -0.369 169 2HD2 ASN 21 1HD2 ASN 21 2.509 -9.834 -2.029 170 H ASP 22 H ASP 22 8.454 -9.478 -1.135 171 HA ASP 22 HA ASP 22 9.404 -6.855 -1.604 172 1HB ASP 22 1HB ASP 22 9.860 -9.583 -2.790 173 2HB ASP 22 2HB ASP 22 10.693 -8.184 -3.470 174 H PHE 23 H PHE 23 7.456 -8.980 -3.712 175 HA PHE 23 HA PHE 23 7.427 -7.574 -6.104 176 1HB PHE 23 1HB PHE 23 6.187 -9.699 -5.323 177 2HB PHE 23 2HB PHE 23 4.919 -8.605 -4.770 178 HD1 PHE 23 HD1 PHE 23 7.140 -8.424 -7.776 179 HD2 PHE 23 HD2 PHE 23 3.133 -8.829 -6.282 180 HE1 PHE 23 HE1 PHE 23 6.260 -8.265 -10.089 181 HE2 PHE 23 HE2 PHE 23 2.254 -8.670 -8.596 182 HZ PHE 23 HZ PHE 23 3.819 -8.389 -10.499 183 H CYS 24 H CYS 24 4.843 -7.085 -3.674 184 HA CYS 24 HA CYS 24 3.908 -4.618 -4.734 185 1HB CYS 24 1HB CYS 24 2.995 -6.318 -2.942 186 2HB CYS 24 2HB CYS 24 3.850 -5.282 -1.799 187 H ASN 25 H ASN 25 6.360 -5.316 -2.255 188 HA ASN 25 HA ASN 25 6.894 -2.742 -1.275 189 1HB ASN 25 1HB ASN 25 7.987 -4.602 -0.307 190 2HB ASN 25 2HB ASN 25 8.556 -5.190 -1.869 191 1HD2 ASN 25 2HD2 ASN 25 9.149 -2.759 0.656 192 2HD2 ASN 25 1HD2 ASN 25 10.693 -2.320 0.105 193 H ARG 26 H ARG 26 8.658 -4.326 -3.976 194 HA ARG 26 HA ARG 26 10.156 -2.173 -4.907 195 1HB ARG 26 1HB ARG 26 9.624 -4.707 -5.711 196 2HB ARG 26 2HB ARG 26 8.728 -3.814 -6.940 197 1HG ARG 26 1HG ARG 26 10.796 -2.448 -7.359 198 2HG ARG 26 2HG ARG 26 11.665 -3.518 -6.260 199 1HD ARG 26 1HD ARG 26 11.830 -5.150 -7.834 200 2HD ARG 26 2HD ARG 26 10.126 -4.977 -8.297 201 HE ARG 26 HE ARG 26 11.372 -2.648 -9.219 202 1HH1 ARG 26 1HH1 ARG 26 11.727 -6.059 -9.626 203 2HH1 ARG 26 2HH1 ARG 26 12.367 -5.931 -11.230 204 1HH2 ARG 26 1HH2 ARG 26 12.205 -2.470 -11.310 205 2HH2 ARG 26 2HH2 ARG 26 12.634 -3.902 -12.183 206 H GLU 27 H GLU 27 6.789 -2.978 -5.848 207 HA GLU 27 HA GLU 27 6.305 -0.804 -7.591 208 1HB GLU 27 1HB GLU 27 4.792 -2.718 -5.942 209 2HB GLU 27 2HB GLU 27 3.923 -1.215 -6.251 210 1HG GLU 27 1HG GLU 27 3.345 -2.517 -8.111 211 2HG GLU 27 2HG GLU 27 4.701 -1.566 -8.720 212 H CYS 28 H CYS 28 5.693 -0.984 -4.062 213 HA CYS 28 HA CYS 28 4.786 1.686 -3.703 214 1HB CYS 28 1HB CYS 28 5.034 -0.514 -2.175 215 2HB CYS 28 2HB CYS 28 6.463 0.357 -1.618 216 H LYS 29 H LYS 29 7.952 0.459 -4.369 217 HA LYS 29 HA LYS 29 9.150 3.127 -3.684 218 1HB LYS 29 1HB LYS 29 9.797 0.995 -2.397 219 2HB LYS 29 2HB LYS 29 10.582 0.471 -3.887 220 1HG LYS 29 1HG LYS 29 11.942 2.539 -3.890 221 2HG LYS 29 2HG LYS 29 11.174 3.038 -2.383 222 1HD LYS 29 1HD LYS 29 12.757 0.474 -2.743 223 2HD LYS 29 2HD LYS 29 13.387 1.949 -2.008 224 1HE LYS 29 1HE LYS 29 10.819 1.125 -0.847 225 2HE LYS 29 2HE LYS 29 12.105 -0.076 -0.620 226 1HZ LYS 29 1HZ LYS 29 13.516 2.050 -0.141 227 2HZ LYS 29 2HZ LYS 29 12.012 2.729 0.249 228 3HZ LYS 29 3HZ LYS 29 12.567 1.359 1.087 229 H TRP 30 H TRP 30 7.876 2.339 -6.271 230 HA TRP 30 HA TRP 30 10.251 2.089 -8.045 231 1HB TRP 30 1HB TRP 30 8.723 1.287 -9.655 232 2HB TRP 30 2HB TRP 30 8.183 0.604 -8.128 233 HD1 TRP 30 HD1 TRP 30 6.205 0.872 -10.490 234 HE1 TRP 30 HE1 TRP 30 4.109 2.345 -10.298 235 HE3 TRP 30 HE3 TRP 30 7.651 4.061 -6.731 236 HZ2 TRP 30 HZ2 TRP 30 3.161 4.557 -8.780 237 HZ3 TRP 30 HZ3 TRP 30 6.119 5.820 -5.943 238 HH2 TRP 30 HH2 TRP 30 3.877 6.080 -6.962 239 H LYS 31 H LYS 31 10.208 4.627 -6.967 240 HA LYS 31 HA LYS 31 10.389 6.355 -9.147 241 1HB LYS 31 1HB LYS 31 7.672 5.680 -8.556 242 2HB LYS 31 2HB LYS 31 7.901 7.383 -8.179 243 1HG LYS 31 1HG LYS 31 9.195 7.349 -10.513 244 2HG LYS 31 2HG LYS 31 8.128 5.975 -10.805 245 1HD LYS 31 1HD LYS 31 6.371 7.769 -9.729 246 2HD LYS 31 2HD LYS 31 7.474 8.850 -10.581 247 1HE LYS 31 1HE LYS 31 6.376 8.331 -12.497 248 2HE LYS 31 2HE LYS 31 6.995 6.674 -12.339 249 1HZ LYS 31 1HZ LYS 31 4.750 7.487 -10.640 250 2HZ LYS 31 2HZ LYS 31 4.426 7.158 -12.275 251 3HZ LYS 31 3HZ LYS 31 5.117 5.962 -11.286 252 H HIS 32 H HIS 32 11.449 5.933 -6.433 253 HA HIS 32 HA HIS 32 12.032 7.171 -4.485 254 1HB HIS 32 1HB HIS 32 12.960 8.226 -6.760 255 2HB HIS 32 2HB HIS 32 11.944 9.577 -6.264 256 HD1 HIS 32 HD1 HIS 32 12.552 8.688 -3.111 257 HD2 HIS 32 HD2 HIS 32 15.254 9.888 -6.052 258 HE1 HIS 32 HE1 HIS 32 14.606 9.535 -1.895 259 H ILE 33 H ILE 33 9.780 6.925 -3.552 260 HA ILE 33 HA ILE 33 8.066 9.343 -3.805 261 HB ILE 33 HB ILE 33 7.383 6.815 -3.939 262 1HG1 ILE 33 1HG1 ILE 33 5.194 7.398 -2.759 263 2HG1 ILE 33 2HG1 ILE 33 5.945 8.936 -2.334 264 1HG2 ILE 33 1HG2 ILE 33 7.489 7.270 -0.945 265 2HG2 ILE 33 2HG2 ILE 33 6.690 5.910 -1.730 266 3HG2 ILE 33 3HG2 ILE 33 8.439 6.095 -1.856 267 1HD1 ILE 33 1HD1 ILE 33 6.431 8.476 -5.106 268 2HD1 ILE 33 2HD1 ILE 33 4.715 8.192 -4.809 269 3HD1 ILE 33 3HD1 ILE 33 5.442 9.739 -4.372 270 H GLY 34 H GLY 34 9.655 7.378 -1.266 271 1HA GLY 34 1HA GLY 34 10.810 9.159 0.355 272 2HA GLY 34 2HA GLY 34 9.123 9.536 0.700 273 H GLY 35 H GLY 35 8.845 6.404 0.088 274 1HA GLY 35 1HA GLY 35 8.932 5.693 2.937 275 2HA GLY 35 2HA GLY 35 8.312 4.676 1.634 276 H SER 36 H SER 36 10.103 3.771 3.708 277 HA SER 36 HA SER 36 12.523 3.130 2.055 278 1HB SER 36 1HB SER 36 13.442 2.924 4.559 279 2HB SER 36 2HB SER 36 13.402 4.473 3.723 280 HG SER 36 HG SER 36 11.990 3.600 5.887 281 H TYR 37 H TYR 37 9.744 1.885 3.414 282 HA TYR 37 HA TYR 37 10.784 -0.878 3.270 283 1HB TYR 37 1HB TYR 37 10.957 0.422 5.650 284 2HB TYR 37 2HB TYR 37 9.320 -0.221 5.774 285 HD1 TYR 37 HD1 TYR 37 12.893 -1.102 5.384 286 HD2 TYR 37 HD2 TYR 37 8.903 -2.597 5.939 287 HE1 TYR 37 HE1 TYR 37 13.808 -3.341 5.934 288 HE2 TYR 37 HE2 TYR 37 9.819 -4.834 6.491 289 HH TYR 37 HH TYR 37 13.247 -5.352 6.954 290 H GLY 38 H GLY 38 8.969 -2.444 3.281 291 1HA GLY 38 1HA GLY 38 6.230 -1.539 3.455 292 2HA GLY 38 2HA GLY 38 6.739 -1.689 1.772 293 H TYR 39 H TYR 39 5.155 -3.334 4.090 294 HA TYR 39 HA TYR 39 5.870 -5.954 2.852 295 1HB TYR 39 1HB TYR 39 6.066 -6.967 5.039 296 2HB TYR 39 2HB TYR 39 7.093 -5.535 5.028 297 HD1 TYR 39 HD1 TYR 39 6.005 -3.312 5.874 298 HD2 TYR 39 HD2 TYR 39 4.448 -7.226 6.710 299 HE1 TYR 39 HE1 TYR 39 4.748 -2.399 7.809 300 HE2 TYR 39 HE2 TYR 39 3.192 -6.316 8.645 301 HH TYR 39 HH TYR 39 3.819 -3.606 10.129 302 H CYS 40 H CYS 40 4.097 -7.455 2.862 303 HA CYS 40 HA CYS 40 1.450 -6.181 3.006 304 1HB CYS 40 1HB CYS 40 2.750 -8.280 1.608 305 2HB CYS 40 2HB CYS 40 1.423 -9.017 2.503 306 H TYR 41 H TYR 41 0.057 -6.387 4.704 307 HA TYR 41 HA TYR 41 0.505 -8.595 6.684 308 1HB TYR 41 1HB TYR 41 1.441 -6.340 7.356 309 2HB TYR 41 2HB TYR 41 -0.205 -5.709 7.298 310 HD1 TYR 41 HD1 TYR 41 0.969 -9.063 8.448 311 HD2 TYR 41 HD2 TYR 41 -0.731 -5.279 9.564 312 HE1 TYR 41 HE1 TYR 41 0.560 -9.922 10.738 313 HE2 TYR 41 HE2 TYR 41 -1.141 -6.137 11.855 314 HH TYR 41 HH TYR 41 0.305 -8.766 13.116 315 H GLY 42 H GLY 42 -1.347 -9.817 6.317 316 1HA GLY 42 1HA GLY 42 -3.667 -10.265 6.637 317 2HA GLY 42 2HA GLY 42 -3.946 -8.531 6.824 318 H PHE 43 H PHE 43 -2.498 -10.497 4.208 319 HA PHE 43 HA PHE 43 -2.866 -10.369 1.874 320 1HB PHE 43 1HB PHE 43 -5.453 -10.564 3.331 321 2HB PHE 43 2HB PHE 43 -5.553 -10.188 1.612 322 HD1 PHE 43 HD1 PHE 43 -3.753 -12.506 3.949 323 HD2 PHE 43 HD2 PHE 43 -5.525 -11.947 0.076 324 HE1 PHE 43 HE1 PHE 43 -3.304 -14.883 3.402 325 HE2 PHE 43 HE2 PHE 43 -5.074 -14.326 -0.472 326 HZ PHE 43 HZ PHE 43 -3.966 -15.792 1.192 327 H GLY 44 H GLY 44 -1.974 -7.935 2.694 328 1HA GLY 44 1HA GLY 44 -3.241 -6.120 0.817 329 2HA GLY 44 2HA GLY 44 -3.536 -5.647 2.489 330 H CYS 45 H CYS 45 -1.847 -4.363 0.351 331 HA CYS 45 HA CYS 45 0.927 -4.709 1.252 332 1HB CYS 45 1HB CYS 45 -0.545 -2.942 -0.709 333 2HB CYS 45 2HB CYS 45 1.187 -2.777 -0.422 334 H TYR 46 H TYR 46 1.943 -3.474 2.777 335 HA TYR 46 HA TYR 46 0.648 -0.918 3.659 336 1HB TYR 46 1HB TYR 46 0.395 -3.082 5.095 337 2HB TYR 46 2HB TYR 46 2.097 -2.834 5.482 338 HD1 TYR 46 HD1 TYR 46 -0.880 -0.593 5.061 339 HD2 TYR 46 HD2 TYR 46 2.391 -1.800 7.563 340 HE1 TYR 46 HE1 TYR 46 -1.535 1.115 6.732 341 HE2 TYR 46 HE2 TYR 46 1.740 -0.088 9.238 342 HH TYR 46 HH TYR 46 -0.805 2.261 8.567 343 H CYS 47 H CYS 47 2.117 0.716 3.219 344 HA CYS 47 HA CYS 47 5.040 0.040 3.251 345 1HB CYS 47 1HB CYS 47 3.424 2.265 1.967 346 2HB CYS 47 2HB CYS 47 5.178 2.124 1.857 347 H GLU 48 H GLU 48 6.503 1.564 4.281 348 HA GLU 48 HA GLU 48 5.192 3.341 6.314 349 1HB GLU 48 1HB GLU 48 7.584 1.490 6.550 350 2HB GLU 48 2HB GLU 48 7.061 2.602 7.814 351 1HG GLU 48 1HG GLU 48 4.717 1.373 7.366 352 2HG GLU 48 2HG GLU 48 5.800 0.069 6.877 353 H GLY 49 H GLY 49 6.266 5.328 6.700 354 1HA GLY 49 1HA GLY 49 8.099 6.883 6.503 355 2HA GLY 49 2HA GLY 49 8.818 5.838 5.276 356 H LEU 50 H LEU 50 5.532 6.141 4.667 357 HA LEU 50 HA LEU 50 5.924 7.606 2.229 358 1HB LEU 50 1HB LEU 50 3.431 7.017 3.853 359 2HB LEU 50 2HB LEU 50 3.462 7.452 2.144 360 HG LEU 50 HG LEU 50 5.249 5.366 2.225 361 1HD1 LEU 50 1HD1 LEU 50 3.700 5.227 4.629 362 2HD1 LEU 50 2HD1 LEU 50 3.203 3.904 3.574 363 3HD1 LEU 50 3HD1 LEU 50 4.897 4.077 4.034 364 1HD2 LEU 50 1HD2 LEU 50 2.741 5.977 1.101 365 2HD2 LEU 50 2HD2 LEU 50 3.814 4.657 0.637 366 3HD2 LEU 50 3HD2 LEU 50 2.548 4.385 1.836 367 HA PRO 51 HA PRO 51 5.937 11.690 4.109 368 1HB PRO 51 1HB PRO 51 5.631 12.865 1.517 369 2HB PRO 51 2HB PRO 51 7.116 12.701 2.458 370 1HG PRO 51 1HG PRO 51 6.372 11.285 0.070 371 2HG PRO 51 2HG PRO 51 7.865 11.137 1.002 372 1HD PRO 51 1HD PRO 51 5.675 9.255 0.835 373 2HD PRO 51 2HD PRO 51 7.195 9.091 1.749 374 H ASP 52 H ASP 52 4.456 13.725 3.761 375 HA ASP 52 HA ASP 52 1.691 12.913 4.029 376 1HB ASP 52 1HB ASP 52 3.051 14.890 5.039 377 2HB ASP 52 2HB ASP 52 2.702 15.711 3.518 378 H SER 53 H SER 53 3.668 13.877 1.332 379 HA SER 53 HA SER 53 1.495 14.818 -0.367 380 1HB SER 53 1HB SER 53 3.235 15.120 -1.928 381 2HB SER 53 2HB SER 53 4.062 15.285 -0.382 382 HG SER 53 HG SER 53 5.189 13.857 -1.714 383 H THR 54 H THR 54 2.241 11.753 0.753 384 HA THR 54 HA THR 54 1.494 10.378 -1.785 385 HB THR 54 HB THR 54 2.130 8.960 0.769 386 HG1 THR 54 HG1 THR 54 4.121 10.170 -0.830 387 1HG2 THR 54 1HG2 THR 54 2.307 8.542 -2.145 388 2HG2 THR 54 2HG2 THR 54 3.698 7.950 -1.236 389 3HG2 THR 54 3HG2 THR 54 2.079 7.366 -0.850 390 H GLN 55 H GLN 55 -0.388 9.105 -1.923 391 HA GLN 55 HA GLN 55 -2.493 9.683 0.089 392 1HB GLN 55 1HB GLN 55 -2.307 8.675 -2.736 393 2HB GLN 55 2HB GLN 55 -3.772 8.345 -1.811 394 1HG GLN 55 1HG GLN 55 -2.589 11.120 -2.064 395 2HG GLN 55 2HG GLN 55 -3.806 10.494 -3.178 396 1HE2 GLN 55 2HE2 GLN 55 -5.942 10.846 -2.552 397 2HE2 GLN 55 1HE2 GLN 55 -6.449 11.176 -0.966 398 H THR 56 H THR 56 -3.937 7.735 0.691 399 HA THR 56 HA THR 56 -2.808 5.060 0.500 400 HB THR 56 HB THR 56 -1.210 5.951 2.047 401 HG1 THR 56 HG1 THR 56 -2.760 4.935 4.028 402 1HG2 THR 56 1HG2 THR 56 -3.612 7.333 3.139 403 2HG2 THR 56 2HG2 THR 56 -2.346 6.893 4.286 404 3HG2 THR 56 3HG2 THR 56 -1.970 7.939 2.916 405 H TRP 57 H TRP 57 -3.956 3.601 2.208 406 HA TRP 57 HA TRP 57 -6.864 4.206 2.129 407 1HB TRP 57 1HB TRP 57 -5.530 2.048 1.428 408 2HB TRP 57 2HB TRP 57 -5.512 1.708 3.154 409 HD1 TRP 57 HD1 TRP 57 -8.039 2.429 0.328 410 HE1 TRP 57 HE1 TRP 57 -10.246 1.223 0.895 411 HE3 TRP 57 HE3 TRP 57 -6.866 0.564 4.936 412 HZ2 TRP 57 HZ2 TRP 57 -11.366 -0.328 3.023 413 HZ3 TRP 57 HZ3 TRP 57 -8.521 -0.771 6.211 414 HH2 TRP 57 HH2 TRP 57 -10.766 -1.220 5.260 415 HA PRO 58 HA PRO 58 -8.569 3.502 3.030 416 1HB PRO 58 1HB PRO 58 -10.478 4.749 4.638 417 2HB PRO 58 2HB PRO 58 -10.097 3.023 4.645 418 1HG PRO 58 1HG PRO 58 -9.528 5.023 6.688 419 2HG PRO 58 2HG PRO 58 -9.379 3.265 6.784 420 1HD PRO 58 1HD PRO 58 -7.260 5.217 6.495 421 2HD PRO 58 2HD PRO 58 -7.110 3.445 6.623 422 H LEU 59 H LEU 59 -10.279 5.072 2.119 423 HA LEU 59 HA LEU 59 -9.006 7.676 1.519 424 1HB LEU 59 1HB LEU 59 -11.433 6.145 0.506 425 2HB LEU 59 2HB LEU 59 -10.869 7.653 -0.197 426 HG LEU 59 HG LEU 59 -8.602 5.966 0.009 427 1HD1 LEU 59 1HD1 LEU 59 -11.056 4.601 -1.130 428 2HD1 LEU 59 2HD1 LEU 59 -9.405 4.073 -1.453 429 3HD1 LEU 59 3HD1 LEU 59 -10.038 4.031 0.192 430 1HD2 LEU 59 1HD2 LEU 59 -10.322 7.031 -2.230 431 2HD2 LEU 59 2HD2 LEU 59 -8.705 7.543 -1.745 432 3HD2 LEU 59 3HD2 LEU 59 -8.933 6.001 -2.571 433 HA PRO 60 HA PRO 60 -11.556 10.354 3.951 434 1HB PRO 60 1HB PRO 60 -13.170 11.320 1.703 435 2HB PRO 60 2HB PRO 60 -12.010 12.199 2.706 436 1HG PRO 60 1HG PRO 60 -11.617 11.356 0.041 437 2HG PRO 60 2HG PRO 60 -10.386 11.993 1.135 438 1HD PRO 60 1HD PRO 60 -10.656 9.297 0.144 439 2HD PRO 60 2HD PRO 60 -9.393 9.941 1.213 440 H ASN 61 H ASN 61 -14.180 11.057 3.940 441 HA ASN 61 HA ASN 61 -15.636 8.952 4.974 442 1HB ASN 61 1HB ASN 61 -16.619 11.246 3.241 443 2HB ASN 61 2HB ASN 61 -17.625 10.313 4.349 444 1HD2 ASN 61 2HD2 ASN 61 -15.153 12.812 4.161 445 2HD2 ASN 61 1HD2 ASN 61 -15.159 13.205 5.812 446 H LYS 62 H LYS 62 -15.053 9.695 1.600 447 HA LYS 62 HA LYS 62 -16.976 7.684 0.619 448 1HB LYS 62 1HB LYS 62 -16.062 9.963 -0.408 449 2HB LYS 62 2HB LYS 62 -14.796 8.909 -1.040 450 1HG LYS 62 1HG LYS 62 -16.182 8.071 -2.605 451 2HG LYS 62 2HG LYS 62 -17.410 7.703 -1.394 452 1HD LYS 62 1HD LYS 62 -18.565 9.632 -1.786 453 2HD LYS 62 2HD LYS 62 -17.097 10.573 -2.056 454 1HE LYS 62 1HE LYS 62 -16.856 9.357 -4.284 455 2HE LYS 62 2HE LYS 62 -18.499 8.737 -4.022 456 1HZ LYS 62 1HZ LYS 62 -18.051 11.583 -3.550 457 2HZ LYS 62 2HZ LYS 62 -18.057 11.071 -5.171 458 3HZ LYS 62 3HZ LYS 62 -19.412 10.794 -4.185 459 H THR 63 H THR 63 -15.949 5.882 1.901 460 HA THR 63 HA THR 63 -13.281 4.986 0.967 461 HB THR 63 HB THR 63 -15.212 3.814 2.995 462 HG1 THR 63 HG1 THR 63 -13.410 4.967 4.312 463 1HG2 THR 63 1HG2 THR 63 -12.289 3.396 2.370 464 2HG2 THR 63 2HG2 THR 63 -12.971 2.981 3.943 465 3HG2 THR 63 3HG2 THR 63 -13.567 2.186 2.485 466 H CYS 64 H CYS 64 -13.176 2.475 0.615 467 HA CYS 64 HA CYS 64 -14.830 1.805 -1.672 468 1HB CYS 64 1HB CYS 64 -12.376 1.170 -0.946 469 2HB CYS 64 2HB CYS 64 -13.173 -0.152 -0.096 Start of MODEL 6 1 1H LYS 1 1H LYS 1 5.728 6.961 8.271 2 2H LYS 1 2H LYS 1 4.371 7.983 8.225 3 3H LYS 1 3H LYS 1 5.509 8.143 9.472 4 HA LYS 1 HA LYS 1 4.820 6.213 10.550 5 1HB LYS 1 1HB LYS 1 2.419 6.611 10.770 6 2HB LYS 1 2HB LYS 1 3.234 8.159 10.544 7 1HG LYS 1 1HG LYS 1 2.492 8.376 8.330 8 2HG LYS 1 2HG LYS 1 2.181 6.647 8.164 9 1HD LYS 1 1HD LYS 1 0.345 6.882 9.868 10 2HD LYS 1 2HD LYS 1 0.592 8.628 9.818 11 1HE LYS 1 1HE LYS 1 -1.259 7.761 8.288 12 2HE LYS 1 2HE LYS 1 -0.006 8.712 7.466 13 1HZ LYS 1 1HZ LYS 1 0.370 5.817 7.806 14 2HZ LYS 1 2HZ LYS 1 -0.644 6.371 6.565 15 3HZ LYS 1 3HZ LYS 1 0.985 6.849 6.604 16 H ASP 2 H ASP 2 2.735 4.528 10.254 17 HA ASP 2 HA ASP 2 3.416 3.002 7.768 18 1HB ASP 2 1HB ASP 2 2.501 2.335 10.566 19 2HB ASP 2 2HB ASP 2 2.284 1.164 9.265 20 H GLY 3 H GLY 3 1.739 2.458 6.342 21 1HA GLY 3 1HA GLY 3 -1.060 2.660 7.157 22 2HA GLY 3 2HA GLY 3 -0.561 3.941 6.052 23 H TYR 4 H TYR 4 -2.330 2.714 4.779 24 HA TYR 4 HA TYR 4 -1.079 0.463 3.237 25 1HB TYR 4 1HB TYR 4 -3.829 1.076 4.251 26 2HB TYR 4 2HB TYR 4 -3.680 0.148 2.760 27 HD1 TYR 4 HD1 TYR 4 -2.545 -2.055 2.749 28 HD2 TYR 4 HD2 TYR 4 -3.149 0.154 6.386 29 HE1 TYR 4 HE1 TYR 4 -2.056 -4.095 4.072 30 HE2 TYR 4 HE2 TYR 4 -2.659 -1.887 7.706 31 HH TYR 4 HH TYR 4 -1.675 -4.910 6.118 32 H LEU 5 H LEU 5 -1.423 0.508 0.921 33 HA LEU 5 HA LEU 5 -1.856 3.256 -0.150 34 1HB LEU 5 1HB LEU 5 -0.393 0.785 -0.918 35 2HB LEU 5 2HB LEU 5 -1.047 1.739 -2.248 36 HG LEU 5 HG LEU 5 0.811 2.724 -0.065 37 1HD1 LEU 5 1HD1 LEU 5 1.535 1.341 -2.229 38 2HD1 LEU 5 2HD1 LEU 5 1.358 2.918 -2.997 39 3HD1 LEU 5 3HD1 LEU 5 2.486 2.711 -1.658 40 1HD2 LEU 5 1HD2 LEU 5 -1.125 4.131 -1.664 41 2HD2 LEU 5 2HD2 LEU 5 0.009 4.789 -0.484 42 3HD2 LEU 5 3HD2 LEU 5 0.495 4.609 -2.170 43 H VAL 6 H VAL 6 -3.590 3.707 -1.478 44 HA VAL 6 HA VAL 6 -5.649 1.589 -1.781 45 HB VAL 6 HB VAL 6 -7.083 3.534 -2.318 46 1HG1 VAL 6 1HG1 VAL 6 -5.778 2.981 0.119 47 2HG1 VAL 6 2HG1 VAL 6 -5.799 4.737 -0.033 48 3HG1 VAL 6 3HG1 VAL 6 -7.308 3.828 -0.103 49 1HG2 VAL 6 1HG2 VAL 6 -5.077 4.762 -3.424 50 2HG2 VAL 6 2HG2 VAL 6 -6.231 5.735 -2.511 51 3HG2 VAL 6 3HG2 VAL 6 -4.684 5.291 -1.788 52 H GLU 7 H GLU 7 -6.948 2.106 -4.034 53 HA GLU 7 HA GLU 7 -4.858 1.950 -6.185 54 1HB GLU 7 1HB GLU 7 -7.529 0.594 -5.756 55 2HB GLU 7 2HB GLU 7 -6.692 0.551 -7.308 56 1HG GLU 7 1HG GLU 7 -4.908 -0.095 -5.092 57 2HG GLU 7 2HG GLU 7 -6.281 -1.199 -5.176 58 H LYS 8 H LYS 8 -5.998 2.431 -8.425 59 HA LYS 8 HA LYS 8 -6.577 5.112 -8.730 60 1HB LYS 8 1HB LYS 8 -6.721 2.717 -10.233 61 2HB LYS 8 2HB LYS 8 -8.261 3.541 -10.477 62 1HG LYS 8 1HG LYS 8 -6.694 4.330 -12.156 63 2HG LYS 8 2HG LYS 8 -6.993 5.636 -11.009 64 1HD LYS 8 1HD LYS 8 -4.617 5.558 -11.356 65 2HD LYS 8 2HD LYS 8 -4.920 4.869 -9.762 66 1HE LYS 8 1HE LYS 8 -5.108 2.752 -11.688 67 2HE LYS 8 2HE LYS 8 -3.587 3.628 -11.954 68 1HZ LYS 8 1HZ LYS 8 -3.604 3.615 -9.332 69 2HZ LYS 8 2HZ LYS 8 -4.520 2.205 -9.572 70 3HZ LYS 8 3HZ LYS 8 -2.952 2.323 -10.216 71 H THR 9 H THR 9 -9.096 2.567 -8.427 72 HA THR 9 HA THR 9 -11.249 4.478 -8.137 73 HB THR 9 HB THR 9 -12.351 2.240 -7.275 74 HG1 THR 9 HG1 THR 9 -11.153 0.467 -7.637 75 1HG2 THR 9 1HG2 THR 9 -11.201 2.586 -10.058 76 2HG2 THR 9 2HG2 THR 9 -12.491 1.459 -9.637 77 3HG2 THR 9 3HG2 THR 9 -12.752 3.196 -9.483 78 H GLY 10 H GLY 10 -9.125 2.806 -5.877 79 1HA GLY 10 1HA GLY 10 -8.866 4.213 -3.737 80 2HA GLY 10 2HA GLY 10 -10.620 4.081 -3.624 81 H CYS 11 H CYS 11 -10.286 1.224 -4.770 82 HA CYS 11 HA CYS 11 -10.487 -0.206 -2.338 83 1HB CYS 11 1HB CYS 11 -9.984 -0.809 -5.218 84 2HB CYS 11 2HB CYS 11 -9.696 -2.109 -4.060 85 H LYS 12 H LYS 12 -8.764 -2.248 -2.149 86 HA LYS 12 HA LYS 12 -6.163 -0.920 -1.551 87 1HB LYS 12 1HB LYS 12 -7.448 -3.511 -0.634 88 2HB LYS 12 2HB LYS 12 -5.936 -2.856 -0.020 89 1HG LYS 12 1HG LYS 12 -7.138 -0.814 0.724 90 2HG LYS 12 2HG LYS 12 -8.651 -1.525 0.162 91 1HD LYS 12 1HD LYS 12 -8.618 -2.065 2.458 92 2HD LYS 12 2HD LYS 12 -8.023 -3.533 1.680 93 1HE LYS 12 1HE LYS 12 -5.776 -3.091 2.285 94 2HE LYS 12 2HE LYS 12 -6.116 -1.381 2.620 95 1HZ LYS 12 1HZ LYS 12 -7.872 -2.502 4.231 96 2HZ LYS 12 2HZ LYS 12 -6.709 -3.740 4.235 97 3HZ LYS 12 3HZ LYS 12 -6.280 -2.174 4.726 98 H LYS 13 H LYS 13 -4.467 -3.014 -1.439 99 HA LYS 13 HA LYS 13 -4.474 -4.209 -4.195 100 1HB LYS 13 1HB LYS 13 -2.169 -3.198 -2.491 101 2HB LYS 13 2HB LYS 13 -2.020 -3.881 -4.110 102 1HG LYS 13 1HG LYS 13 -3.889 -1.959 -4.564 103 2HG LYS 13 2HG LYS 13 -2.958 -1.199 -3.272 104 1HD LYS 13 1HD LYS 13 -1.776 -2.364 -5.811 105 2HD LYS 13 2HD LYS 13 -2.045 -0.646 -5.516 106 1HE LYS 13 1HE LYS 13 -0.484 -0.668 -3.640 107 2HE LYS 13 2HE LYS 13 -0.293 -2.426 -3.781 108 1HZ LYS 13 1HZ LYS 13 0.071 -0.973 -6.252 109 2HZ LYS 13 2HZ LYS 13 1.243 -0.632 -5.073 110 3HZ LYS 13 3HZ LYS 13 0.997 -2.233 -5.587 111 H THR 14 H THR 14 -5.560 -6.053 -2.947 112 HA THR 14 HA THR 14 -4.360 -7.483 -0.822 113 HB THR 14 HB THR 14 -6.050 -8.356 -3.183 114 HG1 THR 14 HG1 THR 14 -6.572 -7.510 -0.536 115 1HG2 THR 14 1HG2 THR 14 -5.202 -9.801 -0.676 116 2HG2 THR 14 2HG2 THR 14 -6.694 -10.219 -1.518 117 3HG2 THR 14 3HG2 THR 14 -5.143 -10.372 -2.343 118 H CYS 15 H CYS 15 -3.218 -9.580 -0.929 119 HA CYS 15 HA CYS 15 -1.817 -10.314 -3.411 120 1HB CYS 15 1HB CYS 15 0.422 -9.960 -2.230 121 2HB CYS 15 2HB CYS 15 -0.426 -8.490 -2.706 122 H TYR 16 H TYR 16 -1.612 -12.516 -3.349 123 HA TYR 16 HA TYR 16 -2.339 -14.049 -1.012 124 1HB TYR 16 1HB TYR 16 -1.058 -14.692 -3.682 125 2HB TYR 16 2HB TYR 16 -1.566 -15.931 -2.533 126 HD1 TYR 16 HD1 TYR 16 -4.062 -15.264 -1.486 127 HD2 TYR 16 HD2 TYR 16 -2.571 -14.347 -5.410 128 HE1 TYR 16 HE1 TYR 16 -6.388 -15.081 -2.329 129 HE2 TYR 16 HE2 TYR 16 -4.895 -14.165 -6.251 130 HH TYR 16 HH TYR 16 -7.594 -15.228 -4.440 131 H LYS 17 H LYS 17 0.794 -13.567 -2.695 132 HA LYS 17 HA LYS 17 2.294 -15.031 -0.673 133 1HB LYS 17 1HB LYS 17 2.695 -13.670 -3.230 134 2HB LYS 17 2HB LYS 17 4.037 -13.401 -2.118 135 1HG LYS 17 1HG LYS 17 2.920 -16.169 -2.500 136 2HG LYS 17 2HG LYS 17 4.089 -15.515 -3.647 137 1HD LYS 17 1HD LYS 17 5.680 -16.242 -2.211 138 2HD LYS 17 2HD LYS 17 5.207 -14.885 -1.187 139 1HE LYS 17 1HE LYS 17 3.926 -16.229 0.229 140 2HE LYS 17 2HE LYS 17 3.641 -17.450 -1.026 141 1HZ LYS 17 1HZ LYS 17 6.120 -17.813 -0.990 142 2HZ LYS 17 2HZ LYS 17 6.157 -16.905 0.446 143 3HZ LYS 17 3HZ LYS 17 5.281 -18.360 0.379 144 H LEU 18 H LEU 18 1.146 -13.559 1.080 145 HA LEU 18 HA LEU 18 1.959 -10.836 1.441 146 1HB LEU 18 1HB LEU 18 1.180 -13.011 3.416 147 2HB LEU 18 2HB LEU 18 1.210 -11.286 3.780 148 HG LEU 18 HG LEU 18 -0.381 -12.308 1.441 149 1HD1 LEU 18 1HD1 LEU 18 -0.807 -13.209 4.038 150 2HD1 LEU 18 2HD1 LEU 18 -1.922 -11.850 3.883 151 3HD1 LEU 18 3HD1 LEU 18 -2.004 -13.193 2.742 152 1HD2 LEU 18 1HD2 LEU 18 0.129 -9.834 1.934 153 2HD2 LEU 18 2HD2 LEU 18 -1.566 -10.259 1.700 154 3HD2 LEU 18 3HD2 LEU 18 -0.937 -10.011 3.329 155 H GLY 19 H GLY 19 3.400 -10.252 3.468 156 1HA GLY 19 1HA GLY 19 5.383 -10.765 4.790 157 2HA GLY 19 2HA GLY 19 5.687 -12.136 3.727 158 H GLU 20 H GLU 20 7.846 -11.333 3.432 159 HA GLU 20 HA GLU 20 8.529 -8.752 2.409 160 1HB GLU 20 1HB GLU 20 10.642 -9.852 1.872 161 2HB GLU 20 2HB GLU 20 10.042 -10.504 3.398 162 1HG GLU 20 1HG GLU 20 10.006 -12.576 2.521 163 2HG GLU 20 2HG GLU 20 8.919 -12.030 1.244 164 H ASN 21 H ASN 21 6.440 -8.885 0.886 165 HA ASN 21 HA ASN 21 6.741 -10.369 -1.607 166 1HB ASN 21 1HB ASN 21 4.594 -9.728 -0.476 167 2HB ASN 21 2HB ASN 21 4.945 -8.041 -0.852 168 1HD2 ASN 21 2HD2 ASN 21 2.983 -10.375 -1.922 169 2HD2 ASN 21 1HD2 ASN 21 3.017 -10.089 -3.596 170 H ASP 22 H ASP 22 8.761 -9.639 -2.509 171 HA ASP 22 HA ASP 22 9.720 -7.025 -2.773 172 1HB ASP 22 1HB ASP 22 10.247 -9.599 -3.775 173 2HB ASP 22 2HB ASP 22 10.071 -8.580 -5.206 174 H PHE 23 H PHE 23 7.444 -8.728 -4.946 175 HA PHE 23 HA PHE 23 7.095 -6.758 -6.924 176 1HB PHE 23 1HB PHE 23 6.135 -9.043 -6.909 177 2HB PHE 23 2HB PHE 23 5.042 -8.571 -5.612 178 HD1 PHE 23 HD1 PHE 23 6.102 -6.616 -8.612 179 HD2 PHE 23 HD2 PHE 23 2.897 -8.641 -6.592 180 HE1 PHE 23 HE1 PHE 23 4.490 -5.733 -10.281 181 HE2 PHE 23 HE2 PHE 23 1.288 -7.758 -8.257 182 HZ PHE 23 HZ PHE 23 2.082 -6.304 -10.101 183 H CYS 24 H CYS 24 4.891 -7.228 -4.140 184 HA CYS 24 HA CYS 24 3.461 -4.816 -4.342 185 1HB CYS 24 1HB CYS 24 2.763 -6.534 -2.830 186 2HB CYS 24 2HB CYS 24 4.324 -6.547 -2.011 187 H ASN 25 H ASN 25 6.628 -5.445 -2.891 188 HA ASN 25 HA ASN 25 6.956 -2.858 -1.647 189 1HB ASN 25 1HB ASN 25 8.177 -5.066 -1.223 190 2HB ASN 25 2HB ASN 25 9.088 -4.741 -2.699 191 1HD2 ASN 25 2HD2 ASN 25 10.212 -4.836 0.030 192 2HD2 ASN 25 1HD2 ASN 25 10.854 -3.296 0.342 193 H ARG 26 H ARG 26 7.485 -4.124 -4.883 194 HA ARG 26 HA ARG 26 9.165 -1.997 -5.869 195 1HB ARG 26 1HB ARG 26 7.664 -4.329 -6.831 196 2HB ARG 26 2HB ARG 26 7.715 -3.017 -8.008 197 1HG ARG 26 1HG ARG 26 10.302 -3.030 -7.119 198 2HG ARG 26 2HG ARG 26 9.895 -4.744 -7.024 199 1HD ARG 26 1HD ARG 26 9.367 -3.054 -9.491 200 2HD ARG 26 2HD ARG 26 10.823 -4.045 -9.273 201 HE ARG 26 HE ARG 26 8.690 -5.745 -8.660 202 1HH1 ARG 26 1HH1 ARG 26 9.699 -3.791 -11.323 203 2HH1 ARG 26 2HH1 ARG 26 8.975 -4.816 -12.515 204 1HH2 ARG 26 1HH2 ARG 26 7.743 -7.089 -10.209 205 2HH2 ARG 26 2HH2 ARG 26 7.874 -6.682 -11.887 206 H GLU 27 H GLU 27 5.635 -2.545 -5.919 207 HA GLU 27 HA GLU 27 5.092 -0.025 -7.305 208 1HB GLU 27 1HB GLU 27 3.691 -2.414 -6.316 209 2HB GLU 27 2HB GLU 27 2.737 -0.936 -6.169 210 1HG GLU 27 1HG GLU 27 4.203 -1.526 -8.727 211 2HG GLU 27 2HG GLU 27 2.646 -2.292 -8.411 212 H CYS 28 H CYS 28 5.130 -1.170 -3.954 213 HA CYS 28 HA CYS 28 3.842 1.197 -2.847 214 1HB CYS 28 1HB CYS 28 4.261 -1.313 -1.998 215 2HB CYS 28 2HB CYS 28 5.672 -0.554 -1.262 216 H LYS 29 H LYS 29 7.063 0.405 -3.863 217 HA LYS 29 HA LYS 29 8.620 2.092 -2.176 218 1HB LYS 29 1HB LYS 29 8.882 0.488 -4.511 219 2HB LYS 29 2HB LYS 29 9.582 2.062 -4.889 220 1HG LYS 29 1HG LYS 29 10.745 1.832 -2.562 221 2HG LYS 29 2HG LYS 29 10.374 0.116 -2.735 222 1HD LYS 29 1HD LYS 29 11.975 1.818 -4.666 223 2HD LYS 29 2HD LYS 29 12.597 0.527 -3.637 224 1HE LYS 29 1HE LYS 29 12.164 -0.929 -5.320 225 2HE LYS 29 2HE LYS 29 10.434 -0.593 -5.099 226 1HZ LYS 29 1HZ LYS 29 12.266 1.161 -6.643 227 2HZ LYS 29 2HZ LYS 29 11.301 -0.042 -7.358 228 3HZ LYS 29 3HZ LYS 29 10.572 1.261 -6.556 229 H TRP 30 H TRP 30 7.561 2.826 -5.527 230 HA TRP 30 HA TRP 30 7.050 4.901 -6.539 231 1HB TRP 30 1HB TRP 30 6.182 5.138 -3.663 232 2HB TRP 30 2HB TRP 30 5.995 6.506 -4.756 233 HD1 TRP 30 HD1 TRP 30 4.089 3.750 -3.545 234 HE1 TRP 30 HE1 TRP 30 2.223 3.047 -5.183 235 HE3 TRP 30 HE3 TRP 30 5.663 6.171 -7.754 236 HZ2 TRP 30 HZ2 TRP 30 1.499 3.464 -7.919 237 HZ3 TRP 30 HZ3 TRP 30 4.369 6.003 -9.860 238 HH2 TRP 30 HH2 TRP 30 2.290 4.654 -9.949 239 H LYS 31 H LYS 31 7.829 7.151 -6.688 240 HA LYS 31 HA LYS 31 10.352 7.599 -5.124 241 1HB LYS 31 1HB LYS 31 9.647 8.510 -7.932 242 2HB LYS 31 2HB LYS 31 11.229 8.597 -7.160 243 1HG LYS 31 1HG LYS 31 11.696 6.432 -7.625 244 2HG LYS 31 2HG LYS 31 10.087 5.895 -7.137 245 1HD LYS 31 1HD LYS 31 9.263 6.011 -9.262 246 2HD LYS 31 2HD LYS 31 10.187 7.464 -9.648 247 1HE LYS 31 1HE LYS 31 12.247 5.770 -9.501 248 2HE LYS 31 2HE LYS 31 10.986 4.590 -9.911 249 1HZ LYS 31 1HZ LYS 31 10.745 7.038 -11.389 250 2HZ LYS 31 2HZ LYS 31 12.225 6.262 -11.678 251 3HZ LYS 31 3HZ LYS 31 10.766 5.435 -11.952 252 H HIS 32 H HIS 32 10.905 10.013 -5.012 253 HA HIS 32 HA HIS 32 10.296 12.187 -4.313 254 1HB HIS 32 1HB HIS 32 8.197 11.453 -6.367 255 2HB HIS 32 2HB HIS 32 8.285 13.061 -5.647 256 HD1 HIS 32 HD1 HIS 32 9.010 14.131 -7.921 257 HD2 HIS 32 HD2 HIS 32 11.646 11.236 -6.493 258 HE1 HIS 32 HE1 HIS 32 11.133 14.359 -9.284 259 H ILE 33 H ILE 33 9.345 9.909 -2.708 260 HA ILE 33 HA ILE 33 6.958 11.222 -1.466 261 HB ILE 33 HB ILE 33 7.368 8.401 -2.431 262 1HG1 ILE 33 1HG1 ILE 33 4.851 10.069 -2.384 263 2HG1 ILE 33 2HG1 ILE 33 6.071 10.283 -3.641 264 1HG2 ILE 33 1HG2 ILE 33 5.470 9.257 -0.222 265 2HG2 ILE 33 2HG2 ILE 33 5.451 7.686 -1.023 266 3HG2 ILE 33 3HG2 ILE 33 6.839 8.160 -0.042 267 1HD1 ILE 33 1HD1 ILE 33 5.473 7.470 -3.220 268 2HD1 ILE 33 2HD1 ILE 33 4.017 8.381 -3.625 269 3HD1 ILE 33 3HD1 ILE 33 5.408 8.413 -4.709 270 H GLY 34 H GLY 34 9.569 8.812 -1.070 271 1HA GLY 34 1HA GLY 34 11.112 8.888 0.807 272 2HA GLY 34 2HA GLY 34 9.881 9.736 1.742 273 H GLY 35 H GLY 35 10.720 6.585 0.364 274 1HA GLY 35 1HA GLY 35 8.869 5.338 2.361 275 2HA GLY 35 2HA GLY 35 9.215 4.619 0.788 276 H SER 36 H SER 36 9.695 3.618 3.603 277 HA SER 36 HA SER 36 12.662 3.234 3.428 278 1HB SER 36 1HB SER 36 12.613 3.816 5.609 279 2HB SER 36 2HB SER 36 10.874 4.062 5.489 280 HG SER 36 HG SER 36 10.528 2.093 6.269 281 H TYR 37 H TYR 37 9.657 1.545 4.444 282 HA TYR 37 HA TYR 37 10.709 -0.960 3.215 283 1HB TYR 37 1HB TYR 37 11.289 -0.593 5.733 284 2HB TYR 37 2HB TYR 37 9.582 -0.927 6.014 285 HD1 TYR 37 HD1 TYR 37 9.717 -2.792 3.324 286 HD2 TYR 37 HD2 TYR 37 11.712 -2.670 7.126 287 HE1 TYR 37 HE1 TYR 37 10.167 -5.227 3.166 288 HE2 TYR 37 HE2 TYR 37 12.162 -5.103 6.970 289 HH TYR 37 HH TYR 37 12.005 -6.827 4.208 290 H GLY 38 H GLY 38 9.038 -1.435 1.817 291 1HA GLY 38 1HA GLY 38 6.254 -1.210 2.893 292 2HA GLY 38 2HA GLY 38 6.651 -0.867 1.211 293 H TYR 39 H TYR 39 5.703 -3.290 3.403 294 HA TYR 39 HA TYR 39 6.190 -5.390 1.314 295 1HB TYR 39 1HB TYR 39 6.695 -6.915 3.058 296 2HB TYR 39 2HB TYR 39 7.478 -5.423 3.573 297 HD1 TYR 39 HD1 TYR 39 6.210 -3.883 5.186 298 HD2 TYR 39 HD2 TYR 39 5.035 -7.935 4.388 299 HE1 TYR 39 HE1 TYR 39 4.867 -3.906 7.272 300 HE2 TYR 39 HE2 TYR 39 3.694 -7.961 6.473 301 HH TYR 39 HH TYR 39 3.719 -6.713 8.686 302 H CYS 40 H CYS 40 4.503 -7.238 1.589 303 HA CYS 40 HA CYS 40 1.832 -5.978 1.733 304 1HB CYS 40 1HB CYS 40 3.106 -7.963 0.214 305 2HB CYS 40 2HB CYS 40 1.926 -8.835 1.196 306 H TYR 41 H TYR 41 0.312 -6.433 3.312 307 HA TYR 41 HA TYR 41 0.824 -8.638 5.245 308 1HB TYR 41 1HB TYR 41 1.961 -6.597 6.083 309 2HB TYR 41 2HB TYR 41 0.435 -5.718 5.984 310 HD1 TYR 41 HD1 TYR 41 1.163 -9.212 7.125 311 HD2 TYR 41 HD2 TYR 41 -0.248 -5.296 8.189 312 HE1 TYR 41 HE1 TYR 41 0.514 -10.054 9.366 313 HE2 TYR 41 HE2 TYR 41 -0.895 -6.137 10.430 314 HH TYR 41 HH TYR 41 -1.548 -8.528 11.372 315 H GLY 42 H GLY 42 -1.115 -9.509 6.008 316 1HA GLY 42 1HA GLY 42 -3.428 -9.935 6.002 317 2HA GLY 42 2HA GLY 42 -3.568 -8.220 6.394 318 H PHE 43 H PHE 43 -2.795 -10.202 3.506 319 HA PHE 43 HA PHE 43 -3.369 -9.799 1.234 320 1HB PHE 43 1HB PHE 43 -5.897 -9.435 2.865 321 2HB PHE 43 2HB PHE 43 -5.908 -9.566 1.104 322 HD1 PHE 43 HD1 PHE 43 -5.122 -11.328 4.262 323 HD2 PHE 43 HD2 PHE 43 -5.446 -11.659 -0.007 324 HE1 PHE 43 HE1 PHE 43 -4.973 -13.796 4.444 325 HE2 PHE 43 HE2 PHE 43 -5.296 -14.128 0.173 326 HZ PHE 43 HZ PHE 43 -5.063 -15.197 2.399 327 H GLY 44 H GLY 44 -2.023 -7.722 1.341 328 1HA GLY 44 1HA GLY 44 -3.176 -5.606 -0.025 329 2HA GLY 44 2HA GLY 44 -3.415 -5.193 1.674 330 H CYS 45 H CYS 45 -1.745 -3.671 -0.064 331 HA CYS 45 HA CYS 45 1.040 -4.437 0.614 332 1HB CYS 45 1HB CYS 45 -0.382 -2.532 -1.202 333 2HB CYS 45 2HB CYS 45 1.273 -2.141 -0.736 334 H TYR 46 H TYR 46 1.969 -3.658 2.454 335 HA TYR 46 HA TYR 46 0.782 -1.221 3.733 336 1HB TYR 46 1HB TYR 46 0.892 -3.607 4.809 337 2HB TYR 46 2HB TYR 46 2.599 -3.236 5.050 338 HD1 TYR 46 HD1 TYR 46 -0.612 -1.296 5.340 339 HD2 TYR 46 HD2 TYR 46 3.067 -2.503 7.204 340 HE1 TYR 46 HE1 TYR 46 -1.183 0.053 7.343 341 HE2 TYR 46 HE2 TYR 46 2.496 -1.153 9.204 342 HH TYR 46 HH TYR 46 -0.435 -0.135 9.960 343 H CYS 47 H CYS 47 2.057 0.586 3.665 344 HA CYS 47 HA CYS 47 4.990 0.217 3.147 345 1HB CYS 47 1HB CYS 47 2.870 1.838 1.994 346 2HB CYS 47 2HB CYS 47 4.202 2.848 2.558 347 H GLU 48 H GLU 48 6.400 1.094 4.631 348 HA GLU 48 HA GLU 48 5.215 2.694 6.876 349 1HB GLU 48 1HB GLU 48 7.812 1.149 6.916 350 2HB GLU 48 2HB GLU 48 6.802 1.621 8.281 351 1HG GLU 48 1HG GLU 48 5.053 0.063 7.562 352 2HG GLU 48 2HG GLU 48 6.005 -0.375 6.142 353 H GLY 49 H GLY 49 5.989 4.762 7.118 354 1HA GLY 49 1HA GLY 49 7.993 6.244 7.203 355 2HA GLY 49 2HA GLY 49 8.546 5.453 5.728 356 H LEU 50 H LEU 50 6.167 5.434 4.270 357 HA LEU 50 HA LEU 50 6.156 7.823 2.891 358 1HB LEU 50 1HB LEU 50 3.568 7.162 2.601 359 2HB LEU 50 2HB LEU 50 4.859 6.242 1.845 360 HG LEU 50 HG LEU 50 4.780 4.568 3.592 361 1HD1 LEU 50 1HD1 LEU 50 2.892 6.508 4.941 362 2HD1 LEU 50 2HD1 LEU 50 3.020 4.816 5.415 363 3HD1 LEU 50 3HD1 LEU 50 4.416 5.881 5.570 364 1HD2 LEU 50 1HD2 LEU 50 3.027 4.532 1.783 365 2HD2 LEU 50 2HD2 LEU 50 2.556 3.701 3.266 366 3HD2 LEU 50 3HD2 LEU 50 1.924 5.311 2.919 367 HA PRO 51 HA PRO 51 4.602 10.758 5.859 368 1HB PRO 51 1HB PRO 51 4.086 12.659 3.792 369 2HB PRO 51 2HB PRO 51 5.498 12.576 4.848 370 1HG PRO 51 1HG PRO 51 5.363 11.999 2.038 371 2HG PRO 51 2HG PRO 51 6.775 11.922 3.097 372 1HD PRO 51 1HD PRO 51 5.261 9.722 1.963 373 2HD PRO 51 2HD PRO 51 6.737 9.648 2.957 374 H ASP 52 H ASP 52 2.523 11.579 6.458 375 HA ASP 52 HA ASP 52 0.210 10.202 5.614 376 1HB ASP 52 1HB ASP 52 0.589 11.580 7.694 377 2HB ASP 52 2HB ASP 52 0.392 13.029 6.706 378 H SER 53 H SER 53 1.876 12.837 4.107 379 HA SER 53 HA SER 53 -0.143 14.164 2.660 380 1HB SER 53 1HB SER 53 2.524 14.317 2.869 381 2HB SER 53 2HB SER 53 2.439 13.460 1.333 382 HG SER 53 HG SER 53 2.397 15.836 1.260 383 H THR 54 H THR 54 1.734 11.278 1.640 384 HA THR 54 HA THR 54 0.461 10.864 -0.857 385 HB THR 54 HB THR 54 1.154 8.437 0.643 386 HG1 THR 54 HG1 THR 54 2.602 9.476 1.788 387 1HG2 THR 54 1HG2 THR 54 1.108 8.618 -1.821 388 2HG2 THR 54 2HG2 THR 54 2.384 9.834 -1.749 389 3HG2 THR 54 3HG2 THR 54 2.715 8.178 -1.240 390 H GLN 55 H GLN 55 -1.277 9.424 -1.450 391 HA GLN 55 HA GLN 55 -3.528 9.429 0.399 392 1HB GLN 55 1HB GLN 55 -2.931 8.988 -2.407 393 2HB GLN 55 2HB GLN 55 -4.040 7.753 -1.809 394 1HG GLN 55 1HG GLN 55 -4.474 10.679 -1.209 395 2HG GLN 55 2HG GLN 55 -5.078 9.945 -2.694 396 1HE2 GLN 55 2HE2 GLN 55 -6.012 10.663 0.430 397 2HE2 GLN 55 1HE2 GLN 55 -7.217 9.484 0.633 398 H THR 56 H THR 56 -4.154 7.771 1.743 399 HA THR 56 HA THR 56 -2.997 5.053 1.293 400 HB THR 56 HB THR 56 -2.941 5.341 4.017 401 HG1 THR 56 HG1 THR 56 -1.874 7.759 3.109 402 1HG2 THR 56 1HG2 THR 56 -1.052 5.319 1.816 403 2HG2 THR 56 2HG2 THR 56 -0.452 6.305 3.151 404 3HG2 THR 56 3HG2 THR 56 -0.891 4.619 3.428 405 H TRP 57 H TRP 57 -4.393 3.377 1.932 406 HA TRP 57 HA TRP 57 -7.205 3.858 2.085 407 1HB TRP 57 1HB TRP 57 -5.651 1.776 1.520 408 2HB TRP 57 2HB TRP 57 -5.856 1.430 3.229 409 HD1 TRP 57 HD1 TRP 57 -7.882 1.828 0.001 410 HE1 TRP 57 HE1 TRP 57 -10.151 0.637 0.304 411 HE3 TRP 57 HE3 TRP 57 -7.569 0.576 4.944 412 HZ2 TRP 57 HZ2 TRP 57 -11.635 -0.672 2.372 413 HZ3 TRP 57 HZ3 TRP 57 -9.422 -0.639 6.053 414 HH2 TRP 57 HH2 TRP 57 -11.451 -1.264 4.775 415 HA PRO 58 HA PRO 58 -8.990 3.041 2.913 416 1HB PRO 58 1HB PRO 58 -10.909 4.633 4.242 417 2HB PRO 58 2HB PRO 58 -10.735 2.878 4.355 418 1HG PRO 58 1HG PRO 58 -10.153 4.878 6.369 419 2HG PRO 58 2HG PRO 58 -10.127 3.119 6.523 420 1HD PRO 58 1HD PRO 58 -7.872 4.922 6.372 421 2HD PRO 58 2HD PRO 58 -7.848 3.149 6.543 422 H LEU 59 H LEU 59 -10.640 4.728 1.815 423 HA LEU 59 HA LEU 59 -9.005 7.072 1.005 424 1HB LEU 59 1HB LEU 59 -10.842 5.224 -0.194 425 2HB LEU 59 2HB LEU 59 -11.496 6.852 -0.381 426 HG LEU 59 HG LEU 59 -9.041 7.463 -1.081 427 1HD1 LEU 59 1HD1 LEU 59 -9.125 4.466 -1.217 428 2HD1 LEU 59 2HD1 LEU 59 -8.193 5.359 -2.420 429 3HD1 LEU 59 3HD1 LEU 59 -7.810 5.525 -0.707 430 1HD2 LEU 59 1HD2 LEU 59 -11.386 6.774 -2.465 431 2HD2 LEU 59 2HD2 LEU 59 -10.003 7.656 -3.113 432 3HD2 LEU 59 3HD2 LEU 59 -10.097 5.904 -3.294 433 HA PRO 60 HA PRO 60 -11.356 10.283 2.880 434 1HB PRO 60 1HB PRO 60 -12.563 11.282 0.429 435 2HB PRO 60 2HB PRO 60 -11.286 12.006 1.412 436 1HG PRO 60 1HG PRO 60 -10.983 10.794 -1.129 437 2HG PRO 60 2HG PRO 60 -9.692 11.327 -0.048 438 1HD PRO 60 1HD PRO 60 -10.463 8.613 -0.718 439 2HD PRO 60 2HD PRO 60 -9.105 9.150 0.299 440 H ASN 61 H ASN 61 -13.804 11.417 2.193 441 HA ASN 61 HA ASN 61 -15.728 9.742 3.335 442 1HB ASN 61 1HB ASN 61 -15.975 12.145 3.048 443 2HB ASN 61 2HB ASN 61 -15.966 11.973 1.293 444 1HD2 ASN 61 2HD2 ASN 61 -17.669 9.630 3.313 445 2HD2 ASN 61 1HD2 ASN 61 -19.234 10.116 2.872 446 H LYS 62 H LYS 62 -14.459 9.680 0.107 447 HA LYS 62 HA LYS 62 -16.674 7.865 -0.779 448 1HB LYS 62 1HB LYS 62 -15.293 10.065 -1.921 449 2HB LYS 62 2HB LYS 62 -14.814 8.638 -2.840 450 1HG LYS 62 1HG LYS 62 -16.810 9.545 -3.864 451 2HG LYS 62 2HG LYS 62 -17.253 8.044 -3.049 452 1HD LYS 62 1HD LYS 62 -18.937 9.488 -2.317 453 2HD LYS 62 2HD LYS 62 -17.756 9.629 -1.013 454 1HE LYS 62 1HE LYS 62 -18.290 11.885 -1.548 455 2HE LYS 62 2HE LYS 62 -16.773 11.596 -2.423 456 1HZ LYS 62 1HZ LYS 62 -19.469 11.138 -3.580 457 2HZ LYS 62 2HZ LYS 62 -18.561 12.552 -3.833 458 3HZ LYS 62 3HZ LYS 62 -17.982 11.057 -4.393 459 H THR 63 H THR 63 -15.437 6.204 0.658 460 HA THR 63 HA THR 63 -12.848 5.236 -0.223 461 HB THR 63 HB THR 63 -13.602 4.844 2.029 462 HG1 THR 63 HG1 THR 63 -12.474 3.105 1.120 463 1HG2 THR 63 1HG2 THR 63 -16.066 3.851 0.636 464 2HG2 THR 63 2HG2 THR 63 -15.677 3.246 2.246 465 3HG2 THR 63 3HG2 THR 63 -15.928 4.972 1.989 466 H CYS 64 H CYS 64 -13.067 2.552 -0.592 467 HA CYS 64 HA CYS 64 -14.339 2.377 -3.260 468 1HB CYS 64 1HB CYS 64 -11.962 1.596 -2.408 469 2HB CYS 64 2HB CYS 64 -12.847 0.165 -1.880 Start of MODEL 7 1 1H LYS 1 1H LYS 1 6.713 5.401 10.812 2 2H LYS 1 2H LYS 1 6.751 6.951 10.116 3 3H LYS 1 3H LYS 1 6.461 6.777 11.777 4 HA LYS 1 HA LYS 1 4.310 5.949 11.460 5 1HB LYS 1 1HB LYS 1 4.491 8.328 11.092 6 2HB LYS 1 2HB LYS 1 5.071 8.082 9.445 7 1HG LYS 1 1HG LYS 1 2.543 6.721 9.853 8 2HG LYS 1 2HG LYS 1 2.401 8.435 10.247 9 1HD LYS 1 1HD LYS 1 3.214 9.087 8.083 10 2HD LYS 1 2HD LYS 1 3.685 7.432 7.696 11 1HE LYS 1 1HE LYS 1 1.068 7.011 8.217 12 2HE LYS 1 2HE LYS 1 0.986 8.684 7.630 13 1HZ LYS 1 1HZ LYS 1 2.525 7.915 5.797 14 2HZ LYS 1 2HZ LYS 1 2.155 6.326 6.270 15 3HZ LYS 1 3HZ LYS 1 0.926 7.356 5.708 16 H ASP 2 H ASP 2 3.918 3.887 10.627 17 HA ASP 2 HA ASP 2 4.613 3.120 7.902 18 1HB ASP 2 1HB ASP 2 2.635 1.776 9.757 19 2HB ASP 2 2HB ASP 2 3.692 1.023 8.564 20 H GLY 3 H GLY 3 2.713 2.139 6.513 21 1HA GLY 3 1HA GLY 3 0.109 3.396 6.802 22 2HA GLY 3 2HA GLY 3 1.069 4.145 5.527 23 H TYR 4 H TYR 4 -1.114 3.076 4.569 24 HA TYR 4 HA TYR 4 -0.292 0.435 3.410 25 1HB TYR 4 1HB TYR 4 -2.699 1.338 4.843 26 2HB TYR 4 2HB TYR 4 -3.051 0.508 3.326 27 HD1 TYR 4 HD1 TYR 4 -1.759 -1.722 2.897 28 HD2 TYR 4 HD2 TYR 4 -2.221 0.079 6.769 29 HE1 TYR 4 HE1 TYR 4 -1.274 -3.904 3.969 30 HE2 TYR 4 HE2 TYR 4 -1.734 -2.103 7.842 31 HH TYR 4 HH TYR 4 -0.424 -4.252 7.125 32 H LEU 5 H LEU 5 -0.743 0.189 1.168 33 HA LEU 5 HA LEU 5 -1.023 2.683 -0.348 34 1HB LEU 5 1HB LEU 5 -0.928 -0.209 -1.268 35 2HB LEU 5 2HB LEU 5 -0.564 1.214 -2.243 36 HG LEU 5 HG LEU 5 0.982 0.314 0.208 37 1HD1 LEU 5 1HD1 LEU 5 1.127 -0.935 -2.116 38 2HD1 LEU 5 2HD1 LEU 5 2.088 0.469 -2.578 39 3HD1 LEU 5 3HD1 LEU 5 2.600 -0.545 -1.230 40 1HD2 LEU 5 1HD2 LEU 5 0.730 2.873 -0.895 41 2HD2 LEU 5 2HD2 LEU 5 2.017 2.326 0.178 42 3HD2 LEU 5 3HD2 LEU 5 2.235 2.256 -1.571 43 H VAL 6 H VAL 6 -2.586 2.527 -2.344 44 HA VAL 6 HA VAL 6 -5.189 1.274 -1.563 45 HB VAL 6 HB VAL 6 -6.292 3.403 -2.145 46 1HG1 VAL 6 1HG1 VAL 6 -4.851 2.883 0.137 47 2HG1 VAL 6 2HG1 VAL 6 -4.223 4.459 -0.344 48 3HG1 VAL 6 3HG1 VAL 6 -5.952 4.245 -0.070 49 1HG2 VAL 6 1HG2 VAL 6 -4.343 3.990 -3.769 50 2HG2 VAL 6 2HG2 VAL 6 -5.116 5.308 -2.887 51 3HG2 VAL 6 3HG2 VAL 6 -3.564 4.673 -2.341 52 H GLU 7 H GLU 7 -6.717 2.007 -3.678 53 HA GLU 7 HA GLU 7 -5.217 0.900 -6.021 54 1HB GLU 7 1HB GLU 7 -7.264 -0.232 -4.881 55 2HB GLU 7 2HB GLU 7 -8.212 1.031 -5.669 56 1HG GLU 7 1HG GLU 7 -8.153 -0.121 -7.597 57 2HG GLU 7 2HG GLU 7 -6.391 -0.031 -7.597 58 H LYS 8 H LYS 8 -5.974 1.774 -8.175 59 HA LYS 8 HA LYS 8 -5.688 4.536 -8.450 60 1HB LYS 8 1HB LYS 8 -6.183 2.323 -10.061 61 2HB LYS 8 2HB LYS 8 -7.582 3.357 -10.354 62 1HG LYS 8 1HG LYS 8 -6.131 5.239 -10.907 63 2HG LYS 8 2HG LYS 8 -4.700 4.289 -10.503 64 1HD LYS 8 1HD LYS 8 -5.572 2.614 -12.283 65 2HD LYS 8 2HD LYS 8 -6.580 3.952 -12.833 66 1HE LYS 8 1HE LYS 8 -3.726 4.634 -12.368 67 2HE LYS 8 2HE LYS 8 -4.042 3.550 -13.736 68 1HZ LYS 8 1HZ LYS 8 -6.058 5.376 -13.875 69 2HZ LYS 8 2HZ LYS 8 -4.724 6.323 -13.419 70 3HZ LYS 8 3HZ LYS 8 -4.653 5.386 -14.829 71 H THR 9 H THR 9 -8.709 2.694 -7.988 72 HA THR 9 HA THR 9 -10.340 5.147 -7.993 73 HB THR 9 HB THR 9 -12.156 3.540 -7.766 74 HG1 THR 9 HG1 THR 9 -10.058 1.956 -6.854 75 1HG2 THR 9 1HG2 THR 9 -10.382 3.609 -9.863 76 2HG2 THR 9 2HG2 THR 9 -10.430 1.888 -9.479 77 3HG2 THR 9 3HG2 THR 9 -11.919 2.744 -9.877 78 H GLY 10 H GLY 10 -8.564 3.292 -5.705 79 1HA GLY 10 1HA GLY 10 -8.326 4.498 -3.481 80 2HA GLY 10 2HA GLY 10 -10.089 4.555 -3.458 81 H CYS 11 H CYS 11 -10.351 1.844 -4.605 82 HA CYS 11 HA CYS 11 -10.631 0.280 -2.299 83 1HB CYS 11 1HB CYS 11 -10.251 -0.205 -5.229 84 2HB CYS 11 2HB CYS 11 -10.184 -1.600 -4.151 85 H LYS 12 H LYS 12 -9.217 -1.926 -2.116 86 HA LYS 12 HA LYS 12 -6.390 -1.001 -1.800 87 1HB LYS 12 1HB LYS 12 -7.597 -1.740 0.191 88 2HB LYS 12 2HB LYS 12 -7.966 -3.281 -0.566 89 1HG LYS 12 1HG LYS 12 -6.081 -3.537 0.960 90 2HG LYS 12 2HG LYS 12 -5.517 -3.747 -0.692 91 1HD LYS 12 1HD LYS 12 -4.556 -1.555 -0.742 92 2HD LYS 12 2HD LYS 12 -5.408 -1.076 0.724 93 1HE LYS 12 1HE LYS 12 -3.466 -1.632 1.791 94 2HE LYS 12 2HE LYS 12 -3.993 -3.312 1.556 95 1HZ LYS 12 1HZ LYS 12 -2.632 -1.832 -0.605 96 2HZ LYS 12 2HZ LYS 12 -1.728 -2.620 0.600 97 3HZ LYS 12 3HZ LYS 12 -2.779 -3.509 -0.397 98 H LYS 13 H LYS 13 -4.779 -2.814 -2.059 99 HA LYS 13 HA LYS 13 -5.475 -4.541 -4.419 100 1HB LYS 13 1HB LYS 13 -3.925 -2.462 -4.673 101 2HB LYS 13 2HB LYS 13 -2.729 -3.436 -3.816 102 1HG LYS 13 1HG LYS 13 -2.504 -4.943 -5.551 103 2HG LYS 13 2HG LYS 13 -4.161 -4.709 -6.107 104 1HD LYS 13 1HD LYS 13 -3.607 -2.591 -7.113 105 2HD LYS 13 2HD LYS 13 -2.007 -2.598 -6.371 106 1HE LYS 13 1HE LYS 13 -1.444 -4.656 -7.684 107 2HE LYS 13 2HE LYS 13 -3.014 -4.521 -8.500 108 1HZ LYS 13 1HZ LYS 13 -2.080 -2.008 -8.660 109 2HZ LYS 13 2HZ LYS 13 -0.639 -2.892 -8.800 110 3HZ LYS 13 3HZ LYS 13 -1.913 -3.166 -9.891 111 H THR 14 H THR 14 -5.961 -5.788 -2.152 112 HA THR 14 HA THR 14 -3.967 -6.877 -0.530 113 HB THR 14 HB THR 14 -6.575 -7.873 -1.661 114 HG1 THR 14 HG1 THR 14 -7.276 -7.372 0.333 115 1HG2 THR 14 1HG2 THR 14 -4.495 -9.461 -0.301 116 2HG2 THR 14 2HG2 THR 14 -6.097 -9.576 0.429 117 3HG2 THR 14 3HG2 THR 14 -5.869 -9.996 -1.269 118 H CYS 15 H CYS 15 -2.458 -8.526 -0.758 119 HA CYS 15 HA CYS 15 -2.176 -9.719 -3.494 120 1HB CYS 15 1HB CYS 15 0.194 -9.801 -2.993 121 2HB CYS 15 2HB CYS 15 -0.380 -8.189 -2.568 122 H TYR 16 H TYR 16 -1.207 -12.001 -3.403 123 HA TYR 16 HA TYR 16 -2.657 -13.542 -1.328 124 1HB TYR 16 1HB TYR 16 -1.705 -13.879 -4.081 125 2HB TYR 16 2HB TYR 16 -1.440 -15.308 -3.078 126 HD1 TYR 16 HD1 TYR 16 -4.086 -12.708 -3.667 127 HD2 TYR 16 HD2 TYR 16 -3.187 -16.839 -2.907 128 HE1 TYR 16 HE1 TYR 16 -6.499 -13.256 -3.800 129 HE2 TYR 16 HE2 TYR 16 -5.602 -17.387 -3.038 130 HH TYR 16 HH TYR 16 -7.827 -15.551 -4.417 131 H LYS 17 H LYS 17 0.608 -13.815 -2.812 132 HA LYS 17 HA LYS 17 1.655 -15.345 -0.591 133 1HB LYS 17 1HB LYS 17 2.481 -15.398 -2.940 134 2HB LYS 17 2HB LYS 17 3.056 -13.740 -2.753 135 1HG LYS 17 1HG LYS 17 4.576 -14.422 -0.972 136 2HG LYS 17 2HG LYS 17 3.946 -16.068 -1.025 137 1HD LYS 17 1HD LYS 17 4.638 -15.602 -3.660 138 2HD LYS 17 2HD LYS 17 5.912 -14.769 -2.769 139 1HE LYS 17 1HE LYS 17 6.863 -16.737 -2.168 140 2HE LYS 17 2HE LYS 17 5.313 -17.359 -1.568 141 1HZ LYS 17 1HZ LYS 17 5.552 -17.059 -4.449 142 2HZ LYS 17 2HZ LYS 17 6.489 -18.296 -3.759 143 3HZ LYS 17 3HZ LYS 17 4.807 -18.288 -3.544 144 H LEU 18 H LEU 18 2.092 -14.486 1.400 145 HA LEU 18 HA LEU 18 2.273 -11.624 1.868 146 1HB LEU 18 1HB LEU 18 2.991 -14.010 3.606 147 2HB LEU 18 2HB LEU 18 2.688 -12.370 4.178 148 HG LEU 18 HG LEU 18 0.667 -14.067 2.686 149 1HD1 LEU 18 1HD1 LEU 18 1.512 -14.390 5.304 150 2HD1 LEU 18 2HD1 LEU 18 0.115 -13.327 5.471 151 3HD1 LEU 18 3HD1 LEU 18 -0.056 -14.889 4.669 152 1HD2 LEU 18 1HD2 LEU 18 0.844 -11.255 3.396 153 2HD2 LEU 18 2HD2 LEU 18 -0.364 -12.077 2.407 154 3HD2 LEU 18 3HD2 LEU 18 -0.555 -12.009 4.159 155 H GLY 19 H GLY 19 4.346 -11.234 3.566 156 1HA GLY 19 1HA GLY 19 6.705 -11.151 3.791 157 2HA GLY 19 2HA GLY 19 6.845 -12.288 2.453 158 H GLU 20 H GLU 20 8.624 -10.526 2.059 159 HA GLU 20 HA GLU 20 7.987 -7.927 1.113 160 1HB GLU 20 1HB GLU 20 10.227 -9.197 1.648 161 2HB GLU 20 2HB GLU 20 10.178 -9.609 -0.067 162 1HG GLU 20 1HG GLU 20 10.187 -6.835 1.149 163 2HG GLU 20 2HG GLU 20 11.435 -7.562 0.135 164 H ASN 21 H ASN 21 5.997 -8.318 -0.182 165 HA ASN 21 HA ASN 21 6.258 -9.812 -2.701 166 1HB ASN 21 1HB ASN 21 4.199 -9.463 -1.133 167 2HB ASN 21 2HB ASN 21 4.052 -7.899 -1.936 168 1HD2 ASN 21 2HD2 ASN 21 2.423 -10.560 -2.107 169 2HD2 ASN 21 1HD2 ASN 21 2.295 -10.829 -3.779 170 H ASP 22 H ASP 22 7.898 -8.689 -3.855 171 HA ASP 22 HA ASP 22 8.560 -6.097 -4.235 172 1HB ASP 22 1HB ASP 22 8.874 -8.438 -5.615 173 2HB ASP 22 2HB ASP 22 7.963 -7.478 -6.781 174 H PHE 23 H PHE 23 5.557 -7.539 -5.473 175 HA PHE 23 HA PHE 23 4.558 -5.583 -7.165 176 1HB PHE 23 1HB PHE 23 3.621 -7.756 -5.632 177 2HB PHE 23 2HB PHE 23 2.561 -6.405 -5.228 178 HD1 PHE 23 HD1 PHE 23 4.083 -8.187 -8.145 179 HD2 PHE 23 HD2 PHE 23 0.846 -5.762 -6.699 180 HE1 PHE 23 HE1 PHE 23 2.913 -8.454 -10.317 181 HE2 PHE 23 HE2 PHE 23 -0.324 -6.028 -8.870 182 HZ PHE 23 HZ PHE 23 0.710 -7.375 -10.678 183 H CYS 24 H CYS 24 4.572 -5.516 -3.599 184 HA CYS 24 HA CYS 24 3.164 -2.992 -3.386 185 1HB CYS 24 1HB CYS 24 4.985 -4.460 -1.454 186 2HB CYS 24 2HB CYS 24 3.790 -3.235 -1.028 187 H ASN 25 H ASN 25 6.596 -3.927 -3.462 188 HA ASN 25 HA ASN 25 7.746 -1.466 -2.639 189 1HB ASN 25 1HB ASN 25 8.494 -3.902 -4.122 190 2HB ASN 25 2HB ASN 25 9.467 -2.489 -4.532 191 1HD2 ASN 25 2HD2 ASN 25 8.742 -4.806 -2.001 192 2HD2 ASN 25 1HD2 ASN 25 9.891 -4.239 -0.887 193 H ARG 26 H ARG 26 6.704 -2.550 -5.882 194 HA ARG 26 HA ARG 26 7.589 -0.146 -7.240 195 1HB ARG 26 1HB ARG 26 6.855 -2.638 -7.980 196 2HB ARG 26 2HB ARG 26 5.338 -1.793 -8.290 197 1HG ARG 26 1HG ARG 26 6.733 -0.053 -9.546 198 2HG ARG 26 2HG ARG 26 8.061 -1.209 -9.464 199 1HD ARG 26 1HD ARG 26 5.782 -2.654 -10.350 200 2HD ARG 26 2HD ARG 26 5.855 -1.166 -11.310 201 HE ARG 26 HE ARG 26 7.646 -3.377 -11.562 202 1HH1 ARG 26 1HH1 ARG 26 7.725 0.076 -11.265 203 2HH1 ARG 26 2HH1 ARG 26 9.361 0.200 -11.808 204 1HH2 ARG 26 1HH2 ARG 26 9.762 -3.201 -12.293 205 2HH2 ARG 26 2HH2 ARG 26 10.506 -1.640 -12.397 206 H GLU 27 H GLU 27 4.357 -1.308 -6.212 207 HA GLU 27 HA GLU 27 2.880 0.995 -6.995 208 1HB GLU 27 1HB GLU 27 2.593 -1.209 -4.965 209 2HB GLU 27 2HB GLU 27 1.397 0.087 -5.021 210 1HG GLU 27 1HG GLU 27 1.958 -0.830 -7.698 211 2HG GLU 27 2HG GLU 27 1.520 -2.202 -6.680 212 H CYS 28 H CYS 28 4.566 0.225 -3.948 213 HA CYS 28 HA CYS 28 3.757 2.648 -2.574 214 1HB CYS 28 1HB CYS 28 4.636 0.359 -1.705 215 2HB CYS 28 2HB CYS 28 6.239 1.009 -2.048 216 H LYS 29 H LYS 29 6.588 1.675 -4.485 217 HA LYS 29 HA LYS 29 7.871 4.316 -4.118 218 1HB LYS 29 1HB LYS 29 8.867 1.854 -4.274 219 2HB LYS 29 2HB LYS 29 8.807 2.181 -6.006 220 1HG LYS 29 1HG LYS 29 10.263 4.041 -5.819 221 2HG LYS 29 2HG LYS 29 10.049 4.134 -4.070 222 1HD LYS 29 1HD LYS 29 11.282 2.093 -3.732 223 2HD LYS 29 2HD LYS 29 11.314 1.763 -5.465 224 1HE LYS 29 1HE LYS 29 12.621 3.908 -5.773 225 2HE LYS 29 2HE LYS 29 12.744 4.008 -4.005 226 1HZ LYS 29 1HZ LYS 29 13.548 1.653 -5.632 227 2HZ LYS 29 2HZ LYS 29 14.626 2.803 -5.004 228 3HZ LYS 29 3HZ LYS 29 13.722 1.824 -3.950 229 H TRP 30 H TRP 30 5.256 3.843 -5.649 230 HA TRP 30 HA TRP 30 5.319 3.951 -8.385 231 1HB TRP 30 1HB TRP 30 3.690 4.923 -6.240 232 2HB TRP 30 2HB TRP 30 3.750 6.167 -7.489 233 HD1 TRP 30 HD1 TRP 30 1.459 3.736 -6.643 234 HE1 TRP 30 HE1 TRP 30 0.345 2.576 -8.659 235 HE3 TRP 30 HE3 TRP 30 4.780 4.974 -10.316 236 HZ2 TRP 30 HZ2 TRP 30 0.806 2.218 -11.460 237 HZ3 TRP 30 HZ3 TRP 30 4.423 4.211 -12.645 238 HH2 TRP 30 HH2 TRP 30 2.441 2.835 -13.222 239 H LYS 31 H LYS 31 6.249 6.643 -6.228 240 HA LYS 31 HA LYS 31 7.766 7.836 -8.499 241 1HB LYS 31 1HB LYS 31 5.262 8.669 -7.858 242 2HB LYS 31 2HB LYS 31 6.213 9.689 -6.778 243 1HG LYS 31 1HG LYS 31 7.545 9.677 -9.282 244 2HG LYS 31 2HG LYS 31 5.834 9.952 -9.612 245 1HD LYS 31 1HD LYS 31 6.385 11.522 -7.358 246 2HD LYS 31 2HD LYS 31 7.780 11.747 -8.413 247 1HE LYS 31 1HE LYS 31 6.193 12.229 -10.311 248 2HE LYS 31 2HE LYS 31 4.864 12.191 -9.136 249 1HZ LYS 31 1HZ LYS 31 6.698 13.722 -7.889 250 2HZ LYS 31 2HZ LYS 31 6.922 14.183 -9.509 251 3HZ LYS 31 3HZ LYS 31 5.393 14.331 -8.792 252 H HIS 32 H HIS 32 8.623 6.428 -6.050 253 HA HIS 32 HA HIS 32 10.094 6.733 -4.215 254 1HB HIS 32 1HB HIS 32 10.938 9.149 -5.834 255 2HB HIS 32 2HB HIS 32 11.953 8.112 -4.832 256 HD1 HIS 32 HD1 HIS 32 10.102 8.140 -8.127 257 HD2 HIS 32 HD2 HIS 32 12.849 5.756 -6.092 258 HE1 HIS 32 HE1 HIS 32 10.918 6.411 -9.788 259 H ILE 33 H ILE 33 7.559 7.828 -3.666 260 HA ILE 33 HA ILE 33 7.711 10.607 -2.844 261 HB ILE 33 HB ILE 33 5.869 8.274 -2.267 262 1HG1 ILE 33 1HG1 ILE 33 4.419 10.143 -3.593 263 2HG1 ILE 33 2HG1 ILE 33 6.025 10.504 -4.228 264 1HG2 ILE 33 1HG2 ILE 33 5.556 11.182 -1.455 265 2HG2 ILE 33 2HG2 ILE 33 4.322 9.934 -1.280 266 3HG2 ILE 33 3HG2 ILE 33 5.819 9.831 -0.353 267 1HD1 ILE 33 1HD1 ILE 33 4.914 7.692 -4.145 268 2HD1 ILE 33 2HD1 ILE 33 4.677 8.762 -5.527 269 3HD1 ILE 33 3HD1 ILE 33 6.307 8.281 -5.053 270 H GLY 34 H GLY 34 9.005 7.745 -1.528 271 1HA GLY 34 1HA GLY 34 10.552 8.221 0.430 272 2HA GLY 34 2HA GLY 34 9.167 9.014 1.174 273 H GLY 35 H GLY 35 9.694 5.892 -0.468 274 1HA GLY 35 1HA GLY 35 8.353 4.593 1.871 275 2HA GLY 35 2HA GLY 35 8.131 4.032 0.213 276 H SER 36 H SER 36 10.362 4.150 2.921 277 HA SER 36 HA SER 36 12.543 2.807 1.517 278 1HB SER 36 1HB SER 36 13.650 3.213 3.491 279 2HB SER 36 2HB SER 36 12.302 4.316 3.747 280 HG SER 36 HG SER 36 12.939 2.494 5.359 281 H TYR 37 H TYR 37 10.426 1.726 4.208 282 HA TYR 37 HA TYR 37 11.000 -1.099 3.525 283 1HB TYR 37 1HB TYR 37 10.341 0.468 5.823 284 2HB TYR 37 2HB TYR 37 9.066 -0.732 5.612 285 HD1 TYR 37 HD1 TYR 37 12.812 -0.523 5.367 286 HD2 TYR 37 HD2 TYR 37 9.389 -2.806 6.600 287 HE1 TYR 37 HE1 TYR 37 14.310 -2.280 6.271 288 HE2 TYR 37 HE2 TYR 37 10.887 -4.562 7.507 289 HH TYR 37 HH TYR 37 14.347 -4.490 6.951 290 H GLY 38 H GLY 38 9.589 -2.290 2.277 291 1HA GLY 38 1HA GLY 38 6.719 -1.584 2.264 292 2HA GLY 38 2HA GLY 38 7.554 -1.481 0.717 293 H TYR 39 H TYR 39 5.946 -3.558 2.860 294 HA TYR 39 HA TYR 39 6.563 -5.876 1.096 295 1HB TYR 39 1HB TYR 39 6.944 -7.265 3.144 296 2HB TYR 39 2HB TYR 39 8.144 -5.985 2.969 297 HD1 TYR 39 HD1 TYR 39 5.208 -7.146 4.866 298 HD2 TYR 39 HD2 TYR 39 8.142 -4.041 4.430 299 HE1 TYR 39 HE1 TYR 39 4.579 -6.238 7.088 300 HE2 TYR 39 HE2 TYR 39 7.515 -3.131 6.649 301 HH TYR 39 HH TYR 39 5.339 -3.224 8.125 302 H CYS 40 H CYS 40 4.838 -7.452 1.109 303 HA CYS 40 HA CYS 40 2.214 -6.359 1.705 304 1HB CYS 40 1HB CYS 40 3.364 -8.323 0.084 305 2HB CYS 40 2HB CYS 40 2.353 -9.228 1.211 306 H TYR 41 H TYR 41 1.369 -6.336 3.740 307 HA TYR 41 HA TYR 41 1.972 -8.647 5.561 308 1HB TYR 41 1HB TYR 41 2.991 -6.321 6.026 309 2HB TYR 41 2HB TYR 41 1.347 -5.807 6.396 310 HD1 TYR 41 HD1 TYR 41 1.042 -9.028 7.309 311 HD2 TYR 41 HD2 TYR 41 3.290 -5.571 8.510 312 HE1 TYR 41 HE1 TYR 41 1.262 -9.966 9.593 313 HE2 TYR 41 HE2 TYR 41 3.511 -6.510 10.793 314 HH TYR 41 HH TYR 41 2.766 -8.105 12.204 315 H GLY 42 H GLY 42 0.104 -9.827 5.787 316 1HA GLY 42 1HA GLY 42 -2.152 -10.243 6.363 317 2HA GLY 42 2HA GLY 42 -2.379 -8.505 6.570 318 H PHE 43 H PHE 43 -1.199 -10.243 3.708 319 HA PHE 43 HA PHE 43 -1.992 -10.221 1.485 320 1HB PHE 43 1HB PHE 43 -4.489 -10.177 3.192 321 2HB PHE 43 2HB PHE 43 -4.566 -10.298 1.433 322 HD1 PHE 43 HD1 PHE 43 -2.801 -11.850 4.358 323 HD2 PHE 43 HD2 PHE 43 -4.483 -12.413 0.445 324 HE1 PHE 43 HE1 PHE 43 -2.322 -14.279 4.502 325 HE2 PHE 43 HE2 PHE 43 -4.004 -14.842 0.588 326 HZ PHE 43 HZ PHE 43 -2.923 -15.776 2.617 327 H GLY 44 H GLY 44 -1.090 -7.739 2.434 328 1HA GLY 44 1HA GLY 44 -2.529 -5.927 0.664 329 2HA GLY 44 2HA GLY 44 -2.699 -5.500 2.369 330 H CYS 45 H CYS 45 -1.131 -4.284 -0.005 331 HA CYS 45 HA CYS 45 1.675 -4.549 0.610 332 1HB CYS 45 1HB CYS 45 -0.034 -2.547 -0.880 333 2HB CYS 45 2HB CYS 45 1.723 -2.411 -0.802 334 H TYR 46 H TYR 46 2.608 -3.809 2.465 335 HA TYR 46 HA TYR 46 1.483 -1.346 3.757 336 1HB TYR 46 1HB TYR 46 1.521 -3.723 4.861 337 2HB TYR 46 2HB TYR 46 3.242 -3.406 5.080 338 HD1 TYR 46 HD1 TYR 46 0.274 -1.123 5.238 339 HD2 TYR 46 HD2 TYR 46 3.581 -2.886 7.340 340 HE1 TYR 46 HE1 TYR 46 -0.230 0.288 7.214 341 HE2 TYR 46 HE2 TYR 46 3.074 -1.478 9.316 342 HH TYR 46 HH TYR 46 1.382 -0.200 10.277 343 H CYS 47 H CYS 47 3.045 0.247 4.467 344 HA CYS 47 HA CYS 47 5.864 -0.209 3.560 345 1HB CYS 47 1HB CYS 47 3.807 1.643 2.550 346 2HB CYS 47 2HB CYS 47 5.357 2.410 2.894 347 H GLU 48 H GLU 48 7.277 1.671 4.361 348 HA GLU 48 HA GLU 48 6.305 2.813 6.951 349 1HB GLU 48 1HB GLU 48 8.478 0.876 6.374 350 2HB GLU 48 2HB GLU 48 8.902 2.177 7.486 351 1HG GLU 48 1HG GLU 48 6.996 1.628 8.912 352 2HG GLU 48 2HG GLU 48 6.473 0.386 7.774 353 H GLY 49 H GLY 49 7.672 4.687 7.630 354 1HA GLY 49 1HA GLY 49 9.098 6.536 7.200 355 2HA GLY 49 2HA GLY 49 9.592 5.760 5.696 356 H LEU 50 H LEU 50 6.275 5.672 5.781 357 HA LEU 50 HA LEU 50 5.951 7.528 3.628 358 1HB LEU 50 1HB LEU 50 3.918 6.431 5.595 359 2HB LEU 50 2HB LEU 50 3.576 7.042 3.976 360 HG LEU 50 HG LEU 50 5.632 4.905 4.161 361 1HD1 LEU 50 1HD1 LEU 50 2.951 4.616 5.281 362 2HD1 LEU 50 2HD1 LEU 50 3.238 3.489 3.954 363 3HD1 LEU 50 3HD1 LEU 50 4.317 3.501 5.350 364 1HD2 LEU 50 1HD2 LEU 50 3.340 5.660 2.337 365 2HD2 LEU 50 2HD2 LEU 50 5.068 5.686 1.983 366 3HD2 LEU 50 3HD2 LEU 50 4.225 4.146 2.147 367 HA PRO 51 HA PRO 51 6.000 11.314 6.010 368 1HB PRO 51 1HB PRO 51 4.515 12.581 3.870 369 2HB PRO 51 2HB PRO 51 6.219 12.777 4.289 370 1HG PRO 51 1HG PRO 51 5.148 11.420 2.027 371 2HG PRO 51 2HG PRO 51 6.842 11.511 2.518 372 1HD PRO 51 1HD PRO 51 5.067 9.223 2.632 373 2HD PRO 51 2HD PRO 51 6.793 9.300 3.064 374 H ASP 52 H ASP 52 4.437 12.426 7.283 375 HA ASP 52 HA ASP 52 1.924 11.118 7.752 376 1HB ASP 52 1HB ASP 52 3.576 13.211 8.827 377 2HB ASP 52 2HB ASP 52 1.911 13.789 8.740 378 H SER 53 H SER 53 2.847 13.271 5.288 379 HA SER 53 HA SER 53 0.110 14.413 4.996 380 1HB SER 53 1HB SER 53 2.865 15.003 3.952 381 2HB SER 53 2HB SER 53 1.460 15.633 3.097 382 HG SER 53 HG SER 53 0.888 16.196 5.491 383 H THR 54 H THR 54 1.916 11.765 3.871 384 HA THR 54 HA THR 54 0.922 11.715 1.125 385 HB THR 54 HB THR 54 1.826 9.247 2.524 386 HG1 THR 54 HG1 THR 54 3.404 10.265 3.441 387 1HG2 THR 54 1HG2 THR 54 1.499 9.697 -0.013 388 2HG2 THR 54 2HG2 THR 54 3.021 10.581 0.103 389 3HG2 THR 54 3HG2 THR 54 2.967 8.864 0.502 390 H GLN 55 H GLN 55 -0.813 10.456 0.330 391 HA GLN 55 HA GLN 55 -3.025 9.956 2.132 392 1HB GLN 55 1HB GLN 55 -4.044 9.059 0.030 393 2HB GLN 55 2HB GLN 55 -3.290 10.635 -0.210 394 1HG GLN 55 1HG GLN 55 -1.587 9.781 -1.495 395 2HG GLN 55 2HG GLN 55 -1.563 8.245 -0.628 396 1HE2 GLN 55 2HE2 GLN 55 -4.163 7.318 -0.885 397 2HE2 GLN 55 1HE2 GLN 55 -4.562 7.118 -2.523 398 H THR 56 H THR 56 -4.064 7.765 2.349 399 HA THR 56 HA THR 56 -2.523 5.364 1.780 400 HB THR 56 HB THR 56 -1.216 6.430 3.612 401 HG1 THR 56 HG1 THR 56 -2.651 4.060 4.179 402 1HG2 THR 56 1HG2 THR 56 -3.887 6.248 5.008 403 2HG2 THR 56 2HG2 THR 56 -2.373 6.364 5.906 404 3HG2 THR 56 3HG2 THR 56 -2.852 7.663 4.813 405 H TRP 57 H TRP 57 -3.640 3.428 2.547 406 HA TRP 57 HA TRP 57 -6.536 3.692 2.585 407 1HB TRP 57 1HB TRP 57 -4.819 1.859 1.704 408 2HB TRP 57 2HB TRP 57 -5.019 1.210 3.327 409 HD1 TRP 57 HD1 TRP 57 -7.311 2.421 0.447 410 HE1 TRP 57 HE1 TRP 57 -9.387 0.891 0.382 411 HE3 TRP 57 HE3 TRP 57 -6.302 -0.603 4.433 412 HZ2 TRP 57 HZ2 TRP 57 -10.473 -1.323 1.830 413 HZ3 TRP 57 HZ3 TRP 57 -7.871 -2.412 5.068 414 HH2 TRP 57 HH2 TRP 57 -9.953 -2.776 3.773 415 HA PRO 58 HA PRO 58 -8.192 2.714 3.169 416 1HB PRO 58 1HB PRO 58 -10.347 3.491 4.776 417 2HB PRO 58 2HB PRO 58 -9.805 1.830 4.514 418 1HG PRO 58 1HG PRO 58 -9.604 3.451 6.927 419 2HG PRO 58 2HG PRO 58 -9.287 1.725 6.722 420 1HD PRO 58 1HD PRO 58 -7.359 3.867 6.998 421 2HD PRO 58 2HD PRO 58 -7.044 2.122 6.821 422 H LEU 59 H LEU 59 -9.972 4.311 2.382 423 HA LEU 59 HA LEU 59 -8.842 7.005 2.202 424 1HB LEU 59 1HB LEU 59 -11.061 5.362 1.052 425 2HB LEU 59 2HB LEU 59 -11.203 7.109 0.906 426 HG LEU 59 HG LEU 59 -10.066 6.286 -1.067 427 1HD1 LEU 59 1HD1 LEU 59 -9.173 8.364 0.200 428 2HD1 LEU 59 2HD1 LEU 59 -7.832 7.326 0.674 429 3HD1 LEU 59 3HD1 LEU 59 -8.138 7.649 -1.032 430 1HD2 LEU 59 1HD2 LEU 59 -9.324 4.144 0.080 431 2HD2 LEU 59 2HD2 LEU 59 -8.120 4.878 -0.978 432 3HD2 LEU 59 3HD2 LEU 59 -7.989 5.067 0.770 433 HA PRO 60 HA PRO 60 -11.180 9.314 5.150 434 1HB PRO 60 1HB PRO 60 -12.911 10.614 3.180 435 2HB PRO 60 2HB PRO 60 -11.650 11.321 4.196 436 1HG PRO 60 1HG PRO 60 -11.485 10.859 1.423 437 2HG PRO 60 2HG PRO 60 -10.147 11.283 2.495 438 1HD PRO 60 1HD PRO 60 -10.656 8.757 1.166 439 2HD PRO 60 2HD PRO 60 -9.248 9.215 2.152 440 H ASN 61 H ASN 61 -13.830 10.111 5.240 441 HA ASN 61 HA ASN 61 -15.252 7.840 6.077 442 1HB ASN 61 1HB ASN 61 -16.057 10.565 5.047 443 2HB ASN 61 2HB ASN 61 -17.258 9.418 5.639 444 1HD2 ASN 61 2HD2 ASN 61 -16.298 8.325 7.885 445 2HD2 ASN 61 1HD2 ASN 61 -15.806 9.487 9.021 446 H LYS 62 H LYS 62 -15.173 9.381 2.884 447 HA LYS 62 HA LYS 62 -17.083 7.413 1.770 448 1HB LYS 62 1HB LYS 62 -15.983 10.023 1.132 449 2HB LYS 62 2HB LYS 62 -15.879 8.948 -0.263 450 1HG LYS 62 1HG LYS 62 -18.391 9.413 1.369 451 2HG LYS 62 2HG LYS 62 -18.044 10.176 -0.183 452 1HD LYS 62 1HD LYS 62 -18.034 8.052 -1.316 453 2HD LYS 62 2HD LYS 62 -18.104 7.175 0.212 454 1HE LYS 62 1HE LYS 62 -20.282 9.150 -0.375 455 2HE LYS 62 2HE LYS 62 -20.324 7.573 -1.188 456 1HZ LYS 62 1HZ LYS 62 -19.688 6.748 1.201 457 2HZ LYS 62 2HZ LYS 62 -20.455 8.188 1.676 458 3HZ LYS 62 3HZ LYS 62 -21.311 7.027 0.785 459 H THR 63 H THR 63 -15.610 5.540 2.282 460 HA THR 63 HA THR 63 -13.006 5.253 1.116 461 HB THR 63 HB THR 63 -14.054 3.920 2.977 462 HG1 THR 63 HG1 THR 63 -12.543 2.586 2.462 463 1HG2 THR 63 1HG2 THR 63 -15.613 2.809 0.639 464 2HG2 THR 63 2HG2 THR 63 -15.448 1.946 2.167 465 3HG2 THR 63 3HG2 THR 63 -16.251 3.515 2.123 466 H CYS 64 H CYS 64 -13.067 2.898 -0.277 467 HA CYS 64 HA CYS 64 -13.823 3.745 -2.950 468 1HB CYS 64 1HB CYS 64 -11.851 2.339 -2.310 469 2HB CYS 64 2HB CYS 64 -12.960 1.043 -1.866 Start of MODEL 8 1 1H LYS 1 1H LYS 1 6.072 6.190 8.193 2 2H LYS 1 2H LYS 1 6.244 7.128 9.599 3 3H LYS 1 3H LYS 1 6.560 5.459 9.644 4 HA LYS 1 HA LYS 1 4.430 5.756 10.632 5 1HB LYS 1 1HB LYS 1 4.427 7.818 8.553 6 2HB LYS 1 2HB LYS 1 2.888 6.968 8.665 7 1HG LYS 1 1HG LYS 1 2.634 7.521 10.974 8 2HG LYS 1 2HG LYS 1 4.310 8.059 11.100 9 1HD LYS 1 1HD LYS 1 2.084 9.387 9.532 10 2HD LYS 1 2HD LYS 1 2.917 10.032 10.949 11 1HE LYS 1 1HE LYS 1 5.061 9.590 9.365 12 2HE LYS 1 2HE LYS 1 3.837 9.900 8.117 13 1HZ LYS 1 1HZ LYS 1 3.160 11.886 9.338 14 2HZ LYS 1 2HZ LYS 1 4.375 11.609 10.492 15 3HZ LYS 1 3HZ LYS 1 4.796 11.980 8.892 16 H ASP 2 H ASP 2 3.945 3.596 10.373 17 HA ASP 2 HA ASP 2 3.818 2.279 7.786 18 1HB ASP 2 1HB ASP 2 2.698 1.356 10.442 19 2HB ASP 2 2HB ASP 2 3.335 0.361 9.135 20 H GLY 3 H GLY 3 1.902 1.548 6.704 21 1HA GLY 3 1HA GLY 3 -0.746 2.048 7.777 22 2HA GLY 3 2HA GLY 3 -0.304 3.244 6.559 23 H TYR 4 H TYR 4 -2.351 1.956 5.688 24 HA TYR 4 HA TYR 4 -1.388 -0.388 4.085 25 1HB TYR 4 1HB TYR 4 -3.932 0.410 5.428 26 2HB TYR 4 2HB TYR 4 -4.071 -0.511 3.930 27 HD1 TYR 4 HD1 TYR 4 -2.994 -2.754 3.732 28 HD2 TYR 4 HD2 TYR 4 -3.111 -0.602 7.450 29 HE1 TYR 4 HE1 TYR 4 -2.435 -4.836 4.955 30 HE2 TYR 4 HE2 TYR 4 -2.552 -2.685 8.672 31 HH TYR 4 HH TYR 4 -2.708 -5.755 7.241 32 H LEU 5 H LEU 5 -0.466 1.285 2.563 33 HA LEU 5 HA LEU 5 -1.706 3.324 1.200 34 1HB LEU 5 1HB LEU 5 0.433 1.478 0.803 35 2HB LEU 5 2HB LEU 5 -0.438 1.618 -0.725 36 HG LEU 5 HG LEU 5 0.030 4.173 0.697 37 1HD1 LEU 5 1HD1 LEU 5 2.160 2.972 1.116 38 2HD1 LEU 5 2HD1 LEU 5 2.307 2.655 -0.613 39 3HD1 LEU 5 3HD1 LEU 5 2.378 4.312 -0.011 40 1HD2 LEU 5 1HD2 LEU 5 -0.363 3.125 -1.998 41 2HD2 LEU 5 2HD2 LEU 5 -0.622 4.759 -1.388 42 3HD2 LEU 5 3HD2 LEU 5 0.982 4.263 -1.930 43 H VAL 6 H VAL 6 -3.056 3.477 -0.673 44 HA VAL 6 HA VAL 6 -4.868 1.128 -1.077 45 HB VAL 6 HB VAL 6 -6.490 2.804 -1.713 46 1HG1 VAL 6 1HG1 VAL 6 -5.440 2.608 0.786 47 2HG1 VAL 6 2HG1 VAL 6 -5.183 4.324 0.470 48 3HG1 VAL 6 3HG1 VAL 6 -6.807 3.647 0.386 49 1HG2 VAL 6 1HG2 VAL 6 -4.137 4.721 -1.638 50 2HG2 VAL 6 2HG2 VAL 6 -5.046 4.234 -3.069 51 3HG2 VAL 6 3HG2 VAL 6 -5.820 5.214 -1.824 52 H GLU 7 H GLU 7 -5.949 1.784 -3.512 53 HA GLU 7 HA GLU 7 -3.687 1.232 -5.351 54 1HB GLU 7 1HB GLU 7 -6.106 0.114 -5.080 55 2HB GLU 7 2HB GLU 7 -6.543 1.388 -6.219 56 1HG GLU 7 1HG GLU 7 -5.012 0.605 -7.855 57 2HG GLU 7 2HG GLU 7 -4.163 -0.410 -6.689 58 H LYS 8 H LYS 8 -3.844 2.364 -7.562 59 HA LYS 8 HA LYS 8 -3.359 5.079 -7.477 60 1HB LYS 8 1HB LYS 8 -4.311 3.110 -9.469 61 2HB LYS 8 2HB LYS 8 -4.611 4.795 -9.896 62 1HG LYS 8 1HG LYS 8 -1.971 4.623 -8.820 63 2HG LYS 8 2HG LYS 8 -2.146 3.357 -10.036 64 1HD LYS 8 1HD LYS 8 -3.397 5.737 -11.022 65 2HD LYS 8 2HD LYS 8 -1.774 6.148 -10.463 66 1HE LYS 8 1HE LYS 8 -0.746 4.828 -12.057 67 2HE LYS 8 2HE LYS 8 -2.072 3.649 -12.083 68 1HZ LYS 8 1HZ LYS 8 -2.424 6.441 -13.004 69 2HZ LYS 8 2HZ LYS 8 -1.925 5.206 -14.058 70 3HZ LYS 8 3HZ LYS 8 -3.434 5.106 -13.291 71 H THR 9 H THR 9 -6.559 3.736 -8.411 72 HA THR 9 HA THR 9 -7.936 6.236 -8.315 73 HB THR 9 HB THR 9 -9.937 4.696 -8.240 74 HG1 THR 9 HG1 THR 9 -9.653 2.653 -7.789 75 1HG2 THR 9 1HG2 THR 9 -7.932 4.981 -10.221 76 2HG2 THR 9 2HG2 THR 9 -8.429 3.288 -10.238 77 3HG2 THR 9 3HG2 THR 9 -9.629 4.563 -10.458 78 H GLY 10 H GLY 10 -7.291 3.799 -5.844 79 1HA GLY 10 1HA GLY 10 -7.132 5.010 -3.539 80 2HA GLY 10 2HA GLY 10 -8.812 5.432 -3.866 81 H CYS 11 H CYS 11 -8.892 2.627 -5.273 82 HA CYS 11 HA CYS 11 -10.177 1.233 -3.134 83 1HB CYS 11 1HB CYS 11 -9.170 0.622 -5.891 84 2HB CYS 11 2HB CYS 11 -9.705 -0.716 -4.873 85 H LYS 12 H LYS 12 -9.291 -1.236 -2.817 86 HA LYS 12 HA LYS 12 -6.616 -0.901 -1.555 87 1HB LYS 12 1HB LYS 12 -7.379 -3.014 -0.390 88 2HB LYS 12 2HB LYS 12 -8.424 -1.624 -0.130 89 1HG LYS 12 1HG LYS 12 -10.105 -2.458 -1.515 90 2HG LYS 12 2HG LYS 12 -8.986 -3.471 -2.427 91 1HD LYS 12 1HD LYS 12 -9.075 -5.179 -0.904 92 2HD LYS 12 2HD LYS 12 -9.236 -4.082 0.468 93 1HE LYS 12 1HE LYS 12 -11.467 -4.472 0.488 94 2HE LYS 12 2HE LYS 12 -11.582 -3.798 -1.149 95 1HZ LYS 12 1HZ LYS 12 -10.461 -6.145 -1.670 96 2HZ LYS 12 2HZ LYS 12 -11.367 -6.575 -0.304 97 3HZ LYS 12 3HZ LYS 12 -12.143 -5.912 -1.662 98 H LYS 13 H LYS 13 -5.660 -3.392 -1.419 99 HA LYS 13 HA LYS 13 -5.759 -4.774 -4.021 100 1HB LYS 13 1HB LYS 13 -3.333 -4.360 -4.420 101 2HB LYS 13 2HB LYS 13 -4.264 -2.861 -4.424 102 1HG LYS 13 1HG LYS 13 -3.650 -3.050 -1.781 103 2HG LYS 13 2HG LYS 13 -2.230 -3.813 -2.496 104 1HD LYS 13 1HD LYS 13 -3.084 -1.355 -3.874 105 2HD LYS 13 2HD LYS 13 -2.560 -1.101 -2.209 106 1HE LYS 13 1HE LYS 13 -0.382 -1.622 -2.687 107 2HE LYS 13 2HE LYS 13 -0.841 -2.917 -3.809 108 1HZ LYS 13 1HZ LYS 13 -1.787 -0.916 -5.168 109 2HZ LYS 13 2HZ LYS 13 -0.633 -0.028 -4.296 110 3HZ LYS 13 3HZ LYS 13 -0.142 -1.325 -5.278 111 H THR 14 H THR 14 -6.421 -6.487 -2.501 112 HA THR 14 HA THR 14 -4.706 -7.374 -0.343 113 HB THR 14 HB THR 14 -6.813 -8.908 -1.891 114 HG1 THR 14 HG1 THR 14 -8.266 -7.691 -0.986 115 1HG2 THR 14 1HG2 THR 14 -5.369 -10.058 -0.130 116 2HG2 THR 14 2HG2 THR 14 -6.136 -8.998 1.052 117 3HG2 THR 14 3HG2 THR 14 -7.112 -10.141 0.129 118 H CYS 15 H CYS 15 -3.491 -9.391 -0.311 119 HA CYS 15 HA CYS 15 -2.715 -10.487 -2.985 120 1HB CYS 15 1HB CYS 15 -0.359 -10.293 -2.329 121 2HB CYS 15 2HB CYS 15 -1.127 -8.709 -2.221 122 H TYR 16 H TYR 16 -2.619 -12.716 -2.923 123 HA TYR 16 HA TYR 16 -3.209 -14.083 -0.389 124 1HB TYR 16 1HB TYR 16 -3.062 -14.704 -3.309 125 2HB TYR 16 2HB TYR 16 -2.947 -16.051 -2.177 126 HD1 TYR 16 HD1 TYR 16 -4.914 -12.850 -2.251 127 HD2 TYR 16 HD2 TYR 16 -4.988 -17.132 -1.916 128 HE1 TYR 16 HE1 TYR 16 -7.369 -12.780 -1.907 129 HE2 TYR 16 HE2 TYR 16 -7.444 -17.061 -1.574 130 HH TYR 16 HH TYR 16 -9.345 -15.299 -2.283 131 H LYS 17 H LYS 17 -0.405 -12.851 -1.396 132 HA LYS 17 HA LYS 17 1.179 -15.206 -0.420 133 1HB LYS 17 1HB LYS 17 1.417 -13.449 -2.818 134 2HB LYS 17 2HB LYS 17 2.921 -13.940 -2.038 135 1HG LYS 17 1HG LYS 17 1.065 -16.172 -2.281 136 2HG LYS 17 2HG LYS 17 1.432 -15.458 -3.852 137 1HD LYS 17 1HD LYS 17 3.367 -16.615 -3.816 138 2HD LYS 17 2HD LYS 17 3.895 -15.539 -2.521 139 1HE LYS 17 1HE LYS 17 4.112 -17.839 -1.734 140 2HE LYS 17 2HE LYS 17 2.743 -17.100 -0.881 141 1HZ LYS 17 1HZ LYS 17 1.937 -18.130 -3.407 142 2HZ LYS 17 2HZ LYS 17 2.664 -19.351 -2.479 143 3HZ LYS 17 3HZ LYS 17 1.334 -18.493 -1.860 144 H LEU 18 H LEU 18 1.399 -14.367 1.710 145 HA LEU 18 HA LEU 18 1.945 -11.676 2.432 146 1HB LEU 18 1HB LEU 18 2.515 -14.390 3.625 147 2HB LEU 18 2HB LEU 18 3.004 -12.915 4.460 148 HG LEU 18 HG LEU 18 0.180 -13.433 3.499 149 1HD1 LEU 18 1HD1 LEU 18 1.620 -14.412 5.844 150 2HD1 LEU 18 2HD1 LEU 18 0.211 -13.447 6.288 151 3HD1 LEU 18 3HD1 LEU 18 0.021 -14.858 5.246 152 1HD2 LEU 18 1HD2 LEU 18 1.620 -11.238 4.904 153 2HD2 LEU 18 2HD2 LEU 18 0.242 -11.156 3.807 154 3HD2 LEU 18 3HD2 LEU 18 0.002 -11.623 5.491 155 H GLY 19 H GLY 19 4.247 -11.354 3.712 156 1HA GLY 19 1HA GLY 19 6.630 -11.374 3.565 157 2HA GLY 19 2HA GLY 19 6.509 -12.358 2.107 158 H GLU 20 H GLU 20 8.250 -10.479 1.729 159 HA GLU 20 HA GLU 20 7.284 -7.853 1.047 160 1HB GLU 20 1HB GLU 20 9.519 -7.697 -0.030 161 2HB GLU 20 2HB GLU 20 9.619 -8.406 1.581 162 1HG GLU 20 1HG GLU 20 10.414 -10.352 0.767 163 2HG GLU 20 2HG GLU 20 9.135 -10.438 -0.444 164 H ASN 21 H ASN 21 5.380 -8.339 -0.275 165 HA ASN 21 HA ASN 21 5.539 -9.821 -2.750 166 1HB ASN 21 1HB ASN 21 3.567 -8.910 -1.184 167 2HB ASN 21 2HB ASN 21 3.610 -7.571 -2.332 168 1HD2 ASN 21 2HD2 ASN 21 2.141 -10.527 -1.812 169 2HD2 ASN 21 1HD2 ASN 21 1.754 -10.924 -3.417 170 H ASP 22 H ASP 22 7.377 -8.999 -3.881 171 HA ASP 22 HA ASP 22 8.427 -6.599 -4.446 172 1HB ASP 22 1HB ASP 22 8.029 -9.058 -5.840 173 2HB ASP 22 2HB ASP 22 7.827 -7.746 -7.000 174 H PHE 23 H PHE 23 5.250 -7.602 -5.727 175 HA PHE 23 HA PHE 23 4.657 -5.515 -7.476 176 1HB PHE 23 1HB PHE 23 3.304 -7.524 -5.983 177 2HB PHE 23 2HB PHE 23 2.406 -6.023 -5.753 178 HD1 PHE 23 HD1 PHE 23 4.112 -7.962 -8.477 179 HD2 PHE 23 HD2 PHE 23 0.846 -5.401 -7.370 180 HE1 PHE 23 HE1 PHE 23 3.173 -8.171 -10.762 181 HE2 PHE 23 HE2 PHE 23 -0.093 -5.610 -9.654 182 HZ PHE 23 HZ PHE 23 1.070 -6.995 -11.351 183 H CYS 24 H CYS 24 3.812 -5.473 -3.978 184 HA CYS 24 HA CYS 24 3.256 -2.633 -3.975 185 1HB CYS 24 1HB CYS 24 3.017 -4.891 -2.277 186 2HB CYS 24 2HB CYS 24 3.978 -3.705 -1.394 187 H ASN 25 H ASN 25 6.070 -4.605 -3.002 188 HA ASN 25 HA ASN 25 7.754 -2.769 -1.800 189 1HB ASN 25 1HB ASN 25 7.930 -5.216 -3.287 190 2HB ASN 25 2HB ASN 25 9.251 -4.165 -3.797 191 1HD2 ASN 25 2HD2 ASN 25 11.083 -4.375 -2.514 192 2HD2 ASN 25 1HD2 ASN 25 11.084 -4.815 -0.874 193 H ARG 26 H ARG 26 7.449 -3.222 -5.350 194 HA ARG 26 HA ARG 26 9.088 -0.960 -6.046 195 1HB ARG 26 1HB ARG 26 8.437 -2.938 -7.482 196 2HB ARG 26 2HB ARG 26 6.822 -2.239 -7.607 197 1HG ARG 26 1HG ARG 26 8.317 -1.639 -9.533 198 2HG ARG 26 2HG ARG 26 7.700 -0.243 -8.660 199 1HD ARG 26 1HD ARG 26 9.762 0.197 -7.634 200 2HD ARG 26 2HD ARG 26 10.347 -1.458 -7.863 201 HE ARG 26 HE ARG 26 10.619 0.737 -9.724 202 1HH1 ARG 26 1HH1 ARG 26 9.862 -2.633 -9.617 203 2HH1 ARG 26 2HH1 ARG 26 10.145 -2.873 -11.309 204 1HH2 ARG 26 1HH2 ARG 26 11.002 0.431 -11.908 205 2HH2 ARG 26 2HH2 ARG 26 10.792 -1.141 -12.603 206 H GLU 27 H GLU 27 5.575 -1.385 -5.611 207 HA GLU 27 HA GLU 27 4.734 1.208 -6.454 208 1HB GLU 27 1HB GLU 27 3.466 -0.992 -5.783 209 2HB GLU 27 2HB GLU 27 3.501 -0.306 -4.158 210 1HG GLU 27 1HG GLU 27 2.648 1.530 -6.331 211 2HG GLU 27 2HG GLU 27 1.529 0.228 -5.928 212 H CYS 28 H CYS 28 5.737 -0.024 -3.261 213 HA CYS 28 HA CYS 28 5.407 2.531 -1.908 214 1HB CYS 28 1HB CYS 28 5.532 -0.040 -1.141 215 2HB CYS 28 2HB CYS 28 7.229 0.381 -0.912 216 H LYS 29 H LYS 29 8.102 0.781 -3.417 217 HA LYS 29 HA LYS 29 10.078 2.796 -2.583 218 1HB LYS 29 1HB LYS 29 10.189 0.158 -3.085 219 2HB LYS 29 2HB LYS 29 10.599 0.750 -4.696 220 1HG LYS 29 1HG LYS 29 12.588 1.681 -4.001 221 2HG LYS 29 2HG LYS 29 11.984 2.020 -2.379 222 1HD LYS 29 1HD LYS 29 13.166 0.203 -1.728 223 2HD LYS 29 2HD LYS 29 11.900 -0.747 -2.506 224 1HE LYS 29 1HE LYS 29 13.662 -1.585 -3.727 225 2HE LYS 29 2HE LYS 29 13.457 -0.092 -4.666 226 1HZ LYS 29 1HZ LYS 29 14.952 1.022 -3.090 227 2HZ LYS 29 2HZ LYS 29 15.218 -0.457 -2.299 228 3HZ LYS 29 3HZ LYS 29 15.728 -0.251 -3.904 229 H TRP 30 H TRP 30 7.977 3.985 -4.069 230 HA TRP 30 HA TRP 30 9.006 4.339 -6.835 231 1HB TRP 30 1HB TRP 30 6.493 4.721 -5.323 232 2HB TRP 30 2HB TRP 30 6.807 5.950 -6.546 233 HD1 TRP 30 HD1 TRP 30 4.694 3.316 -6.497 234 HE1 TRP 30 HE1 TRP 30 4.624 1.897 -8.645 235 HE3 TRP 30 HE3 TRP 30 9.126 4.715 -8.638 236 HZ2 TRP 30 HZ2 TRP 30 6.224 1.416 -10.961 237 HZ3 TRP 30 HZ3 TRP 30 9.822 3.755 -10.813 238 HH2 TRP 30 HH2 TRP 30 8.378 2.110 -11.977 239 H LYS 31 H LYS 31 8.208 7.007 -7.235 240 HA LYS 31 HA LYS 31 10.308 8.461 -5.691 241 1HB LYS 31 1HB LYS 31 8.952 8.680 -8.353 242 2HB LYS 31 2HB LYS 31 9.600 10.154 -7.634 243 1HG LYS 31 1HG LYS 31 11.362 7.746 -7.628 244 2HG LYS 31 2HG LYS 31 11.104 8.556 -9.173 245 1HD LYS 31 1HD LYS 31 11.542 10.686 -7.494 246 2HD LYS 31 2HD LYS 31 12.615 9.463 -6.813 247 1HE LYS 31 1HE LYS 31 13.791 9.199 -8.882 248 2HE LYS 31 2HE LYS 31 12.553 10.100 -9.779 249 1HZ LYS 31 1HZ LYS 31 13.047 11.962 -8.129 250 2HZ LYS 31 2HZ LYS 31 14.479 11.117 -7.782 251 3HZ LYS 31 3HZ LYS 31 14.193 11.682 -9.354 252 H HIS 32 H HIS 32 9.703 10.811 -5.171 253 HA HIS 32 HA HIS 32 8.302 12.333 -4.029 254 1HB HIS 32 1HB HIS 32 7.185 12.160 -6.260 255 2HB HIS 32 2HB HIS 32 6.185 10.854 -5.623 256 HD1 HIS 32 HD1 HIS 32 4.317 12.850 -6.321 257 HD2 HIS 32 HD2 HIS 32 6.568 13.387 -2.854 258 HE1 HIS 32 HE1 HIS 32 3.077 14.557 -4.918 259 H ILE 33 H ILE 33 8.690 9.397 -3.052 260 HA ILE 33 HA ILE 33 6.397 9.440 -1.112 261 HB ILE 33 HB ILE 33 7.781 7.165 -2.554 262 1HG1 ILE 33 1HG1 ILE 33 4.861 7.960 -2.320 263 2HG1 ILE 33 2HG1 ILE 33 5.900 8.396 -3.676 264 1HG2 ILE 33 1HG2 ILE 33 6.635 7.204 0.099 265 2HG2 ILE 33 2HG2 ILE 33 5.652 6.194 -0.963 266 3HG2 ILE 33 3HG2 ILE 33 7.371 5.853 -0.766 267 1HD1 ILE 33 1HD1 ILE 33 5.908 5.527 -2.959 268 2HD1 ILE 33 2HD1 ILE 33 4.381 6.135 -3.600 269 3HD1 ILE 33 3HD1 ILE 33 5.860 6.292 -4.548 270 H GLY 34 H GLY 34 9.703 8.098 -1.575 271 1HA GLY 34 1HA GLY 34 11.527 8.088 -0.091 272 2HA GLY 34 2HA GLY 34 10.651 9.251 0.903 273 H GLY 35 H GLY 35 9.151 6.211 0.052 274 1HA GLY 35 1HA GLY 35 8.638 5.531 2.781 275 2HA GLY 35 2HA GLY 35 8.478 4.421 1.418 276 H SER 36 H SER 36 9.522 3.553 3.898 277 HA SER 36 HA SER 36 12.420 3.166 3.219 278 1HB SER 36 1HB SER 36 12.110 2.633 5.920 279 2HB SER 36 2HB SER 36 12.670 4.160 5.245 280 HG SER 36 HG SER 36 10.165 3.430 6.243 281 H TYR 37 H TYR 37 9.384 1.644 3.647 282 HA TYR 37 HA TYR 37 10.496 -0.987 3.099 283 1HB TYR 37 1HB TYR 37 10.867 -0.337 5.631 284 2HB TYR 37 2HB TYR 37 9.160 -0.755 5.781 285 HD1 TYR 37 HD1 TYR 37 8.605 -3.001 4.239 286 HD2 TYR 37 HD2 TYR 37 12.306 -2.068 6.211 287 HE1 TYR 37 HE1 TYR 37 9.195 -5.409 4.269 288 HE2 TYR 37 HE2 TYR 37 12.896 -4.477 6.240 289 HH TYR 37 HH TYR 37 11.577 -6.690 6.187 290 H GLY 38 H GLY 38 8.913 -1.962 1.906 291 1HA GLY 38 1HA GLY 38 6.075 -1.520 2.691 292 2HA GLY 38 2HA GLY 38 6.557 -1.259 1.015 293 H TYR 39 H TYR 39 5.120 -3.475 2.932 294 HA TYR 39 HA TYR 39 5.725 -5.656 1.028 295 1HB TYR 39 1HB TYR 39 6.611 -7.125 2.671 296 2HB TYR 39 2HB TYR 39 7.395 -5.582 3.004 297 HD1 TYR 39 HD1 TYR 39 5.860 -3.976 4.584 298 HD2 TYR 39 HD2 TYR 39 5.790 -8.270 4.519 299 HE1 TYR 39 HE1 TYR 39 4.927 -3.998 6.883 300 HE2 TYR 39 HE2 TYR 39 4.855 -8.291 6.817 301 HH TYR 39 HH TYR 39 4.999 -5.889 8.881 302 H CYS 40 H CYS 40 4.169 -7.470 1.312 303 HA CYS 40 HA CYS 40 1.505 -6.492 1.965 304 1HB CYS 40 1HB CYS 40 2.750 -8.535 0.441 305 2HB CYS 40 2HB CYS 40 1.676 -9.342 1.583 306 H TYR 41 H TYR 41 0.385 -6.811 3.844 307 HA TYR 41 HA TYR 41 1.402 -8.829 5.807 308 1HB TYR 41 1HB TYR 41 2.236 -6.559 6.346 309 2HB TYR 41 2HB TYR 41 0.579 -5.954 6.337 310 HD1 TYR 41 HD1 TYR 41 2.084 -9.101 7.713 311 HD2 TYR 41 HD2 TYR 41 -0.043 -5.462 8.537 312 HE1 TYR 41 HE1 TYR 41 1.809 -9.797 10.078 313 HE2 TYR 41 HE2 TYR 41 -0.317 -6.157 10.901 314 HH TYR 41 HH TYR 41 -0.245 -8.028 12.285 315 H GLY 42 H GLY 42 -0.268 -9.949 6.835 316 1HA GLY 42 1HA GLY 42 -2.458 -10.691 7.243 317 2HA GLY 42 2HA GLY 42 -2.914 -8.986 7.246 318 H PHE 43 H PHE 43 -1.489 -10.817 4.570 319 HA PHE 43 HA PHE 43 -2.324 -11.302 2.418 320 1HB PHE 43 1HB PHE 43 -5.024 -10.870 3.725 321 2HB PHE 43 2HB PHE 43 -4.662 -11.880 2.328 322 HD1 PHE 43 HD1 PHE 43 -2.787 -13.734 2.753 323 HD2 PHE 43 HD2 PHE 43 -5.173 -11.888 5.814 324 HE1 PHE 43 HE1 PHE 43 -2.341 -15.654 4.261 325 HE2 PHE 43 HE2 PHE 43 -4.727 -13.809 7.320 326 HZ PHE 43 HZ PHE 43 -3.311 -15.691 6.543 327 H GLY 44 H GLY 44 -2.073 -8.394 3.578 328 1HA GLY 44 1HA GLY 44 -3.446 -7.123 1.252 329 2HA GLY 44 2HA GLY 44 -3.622 -6.412 2.856 330 H CYS 45 H CYS 45 -2.503 -4.885 0.835 331 HA CYS 45 HA CYS 45 0.420 -5.061 0.888 332 1HB CYS 45 1HB CYS 45 -1.718 -3.671 -0.507 333 2HB CYS 45 2HB CYS 45 -0.415 -2.561 -0.084 334 H TYR 46 H TYR 46 1.813 -3.798 2.142 335 HA TYR 46 HA TYR 46 0.619 -1.731 3.942 336 1HB TYR 46 1HB TYR 46 0.813 -4.101 4.907 337 2HB TYR 46 2HB TYR 46 2.559 -3.876 4.819 338 HD1 TYR 46 HD1 TYR 46 -0.570 -2.384 6.206 339 HD2 TYR 46 HD2 TYR 46 3.704 -2.664 6.495 340 HE1 TYR 46 HE1 TYR 46 -0.632 -1.127 8.343 341 HE2 TYR 46 HE2 TYR 46 3.645 -1.415 8.632 342 HH TYR 46 HH TYR 46 1.551 -1.120 10.534 343 H CYS 47 H CYS 47 2.011 0.037 4.231 344 HA CYS 47 HA CYS 47 4.766 -0.203 3.062 345 1HB CYS 47 1HB CYS 47 2.548 1.753 2.799 346 2HB CYS 47 2HB CYS 47 4.174 2.434 2.886 347 H GLU 48 H GLU 48 6.255 1.584 3.999 348 HA GLU 48 HA GLU 48 5.608 2.273 6.827 349 1HB GLU 48 1HB GLU 48 8.061 0.749 5.891 350 2HB GLU 48 2HB GLU 48 7.731 1.242 7.552 351 1HG GLU 48 1HG GLU 48 5.637 -0.122 7.495 352 2HG GLU 48 2HG GLU 48 6.087 -0.687 5.885 353 H GLY 49 H GLY 49 6.583 4.216 7.458 354 1HA GLY 49 1HA GLY 49 8.176 5.998 7.370 355 2HA GLY 49 2HA GLY 49 8.832 5.308 5.885 356 H LEU 50 H LEU 50 6.281 5.056 4.555 357 HA LEU 50 HA LEU 50 6.022 7.216 2.958 358 1HB LEU 50 1HB LEU 50 3.570 6.593 2.869 359 2HB LEU 50 2HB LEU 50 4.680 5.234 2.723 360 HG LEU 50 HG LEU 50 3.782 5.974 5.473 361 1HD1 LEU 50 1HD1 LEU 50 1.934 5.469 3.351 362 2HD1 LEU 50 2HD1 LEU 50 1.945 4.072 4.426 363 3HD1 LEU 50 3HD1 LEU 50 1.596 5.676 5.070 364 1HD2 LEU 50 1HD2 LEU 50 4.942 3.717 4.046 365 2HD2 LEU 50 2HD2 LEU 50 4.905 4.044 5.779 366 3HD2 LEU 50 3HD2 LEU 50 3.541 3.237 5.004 367 HA PRO 51 HA PRO 51 5.166 10.498 5.953 368 1HB PRO 51 1HB PRO 51 5.112 12.388 3.825 369 2HB PRO 51 2HB PRO 51 6.460 12.046 4.913 370 1HG PRO 51 1HG PRO 51 6.207 11.387 2.110 371 2HG PRO 51 2HG PRO 51 7.600 11.160 3.170 372 1HD PRO 51 1HD PRO 51 5.824 9.139 2.143 373 2HD PRO 51 2HD PRO 51 7.207 8.915 3.243 374 H ASP 52 H ASP 52 3.471 12.479 5.693 375 HA ASP 52 HA ASP 52 0.865 11.309 5.362 376 1HB ASP 52 1HB ASP 52 2.053 14.026 5.819 377 2HB ASP 52 2HB ASP 52 0.335 13.909 5.433 378 H SER 53 H SER 53 3.086 12.632 3.099 379 HA SER 53 HA SER 53 1.405 13.812 1.150 380 1HB SER 53 1HB SER 53 4.086 12.993 1.479 381 2HB SER 53 2HB SER 53 3.530 12.210 0.004 382 HG SER 53 HG SER 53 3.678 14.087 -0.908 383 H THR 54 H THR 54 1.941 10.428 1.960 384 HA THR 54 HA THR 54 0.394 9.550 -0.434 385 HB THR 54 HB THR 54 1.867 7.977 1.703 386 HG1 THR 54 HG1 THR 54 3.501 7.895 0.084 387 1HG2 THR 54 1HG2 THR 54 0.204 7.252 -0.552 388 2HG2 THR 54 2HG2 THR 54 1.845 6.641 -0.767 389 3HG2 THR 54 3HG2 THR 54 0.926 6.212 0.676 390 H GLN 55 H GLN 55 -1.535 8.300 -0.177 391 HA GLN 55 HA GLN 55 -2.951 8.747 2.402 392 1HB GLN 55 1HB GLN 55 -3.649 8.202 -0.464 393 2HB GLN 55 2HB GLN 55 -4.836 7.805 0.777 394 1HG GLN 55 1HG GLN 55 -3.502 10.480 0.905 395 2HG GLN 55 2HG GLN 55 -4.750 10.233 -0.315 396 1HE2 GLN 55 2HE2 GLN 55 -5.216 8.284 2.510 397 2HE2 GLN 55 1HE2 GLN 55 -6.407 9.246 3.235 398 H THR 56 H THR 56 -4.251 6.899 3.281 399 HA THR 56 HA THR 56 -3.076 4.225 2.601 400 HB THR 56 HB THR 56 -2.007 5.072 4.601 401 HG1 THR 56 HG1 THR 56 -3.961 3.524 5.806 402 1HG2 THR 56 1HG2 THR 56 -4.607 6.250 5.017 403 2HG2 THR 56 2HG2 THR 56 -4.116 5.350 6.452 404 3HG2 THR 56 3HG2 THR 56 -3.081 6.627 5.817 405 H TRP 57 H TRP 57 -4.472 2.418 3.419 406 HA TRP 57 HA TRP 57 -7.337 2.974 2.899 407 1HB TRP 57 1HB TRP 57 -5.622 1.089 2.053 408 2HB TRP 57 2HB TRP 57 -6.182 0.282 3.514 409 HD1 TRP 57 HD1 TRP 57 -7.694 2.007 0.400 410 HE1 TRP 57 HE1 TRP 57 -9.878 0.782 -0.214 411 HE3 TRP 57 HE3 TRP 57 -7.908 -1.383 4.214 412 HZ2 TRP 57 HZ2 TRP 57 -11.500 -1.351 0.781 413 HZ3 TRP 57 HZ3 TRP 57 -9.781 -2.998 4.355 414 HH2 TRP 57 HH2 TRP 57 -11.577 -2.987 2.646 415 HA PRO 58 HA PRO 58 -9.172 1.913 3.208 416 1HB PRO 58 1HB PRO 58 -11.369 2.872 4.711 417 2HB PRO 58 2HB PRO 58 -11.051 1.194 4.258 418 1HG PRO 58 1HG PRO 58 -10.915 2.385 6.880 419 2HG PRO 58 2HG PRO 58 -10.659 0.695 6.432 420 1HD PRO 58 1HD PRO 58 -8.671 2.680 7.181 421 2HD PRO 58 2HD PRO 58 -8.431 0.948 6.845 422 H LEU 59 H LEU 59 -10.746 3.736 2.372 423 HA LEU 59 HA LEU 59 -9.290 6.278 2.449 424 1HB LEU 59 1HB LEU 59 -11.584 5.025 0.989 425 2HB LEU 59 2HB LEU 59 -11.455 6.783 0.965 426 HG LEU 59 HG LEU 59 -9.185 6.643 0.077 427 1HD1 LEU 59 1HD1 LEU 59 -9.620 3.649 0.287 428 2HD1 LEU 59 2HD1 LEU 59 -8.260 4.406 -0.543 429 3HD1 LEU 59 3HD1 LEU 59 -8.451 4.605 1.199 430 1HD2 LEU 59 1HD2 LEU 59 -11.475 6.086 -1.307 431 2HD2 LEU 59 2HD2 LEU 59 -9.893 6.275 -2.064 432 3HD2 LEU 59 3HD2 LEU 59 -10.503 4.663 -1.686 433 HA PRO 60 HA PRO 60 -11.641 8.447 5.476 434 1HB PRO 60 1HB PRO 60 -12.174 10.729 3.814 435 2HB PRO 60 2HB PRO 60 -10.926 10.552 5.051 436 1HG PRO 60 1HG PRO 60 -10.572 10.642 2.211 437 2HG PRO 60 2HG PRO 60 -9.333 10.430 3.451 438 1HD PRO 60 1HD PRO 60 -10.347 8.455 1.597 439 2HD PRO 60 2HD PRO 60 -9.077 8.254 2.829 440 H ASN 61 H ASN 61 -13.716 10.265 5.094 441 HA ASN 61 HA ASN 61 -16.052 8.763 4.997 442 1HB ASN 61 1HB ASN 61 -15.625 11.210 5.623 443 2HB ASN 61 2HB ASN 61 -15.764 11.573 3.901 444 1HD2 ASN 61 2HD2 ASN 61 -17.602 12.144 6.351 445 2HD2 ASN 61 1HD2 ASN 61 -19.129 11.623 5.822 446 H LYS 62 H LYS 62 -14.126 9.971 2.334 447 HA LYS 62 HA LYS 62 -16.178 9.252 0.318 448 1HB LYS 62 1HB LYS 62 -14.236 11.176 0.512 449 2HB LYS 62 2HB LYS 62 -13.429 9.978 -0.500 450 1HG LYS 62 1HG LYS 62 -14.642 10.652 -2.270 451 2HG LYS 62 2HG LYS 62 -16.123 10.218 -1.415 452 1HD LYS 62 1HD LYS 62 -15.925 12.466 -0.213 453 2HD LYS 62 2HD LYS 62 -14.688 12.880 -1.401 454 1HE LYS 62 1HE LYS 62 -17.019 11.765 -2.727 455 2HE LYS 62 2HE LYS 62 -17.470 13.164 -1.732 456 1HZ LYS 62 1HZ LYS 62 -15.108 13.135 -3.529 457 2HZ LYS 62 2HZ LYS 62 -16.623 13.726 -4.008 458 3HZ LYS 62 3HZ LYS 62 -15.788 14.474 -2.731 459 H THR 63 H THR 63 -16.318 7.077 -0.123 460 HA THR 63 HA THR 63 -14.095 5.238 0.285 461 HB THR 63 HB THR 63 -16.580 4.656 -1.303 462 HG1 THR 63 HG1 THR 63 -16.566 4.788 1.511 463 1HG2 THR 63 1HG2 THR 63 -14.538 3.136 -0.123 464 2HG2 THR 63 2HG2 THR 63 -15.934 2.929 0.936 465 3HG2 THR 63 3HG2 THR 63 -16.059 2.530 -0.778 466 H CYS 64 H CYS 64 -13.388 3.764 -1.556 467 HA CYS 64 HA CYS 64 -12.238 5.243 -3.709 468 1HB CYS 64 1HB CYS 64 -11.311 3.149 -2.922 469 2HB CYS 64 2HB CYS 64 -12.814 2.295 -3.274 Start of MODEL 9 1 1H LYS 1 1H LYS 1 6.461 4.391 11.247 2 2H LYS 1 2H LYS 1 6.743 5.577 10.063 3 3H LYS 1 3H LYS 1 6.435 6.038 11.667 4 HA LYS 1 HA LYS 1 4.176 5.382 11.540 5 1HB LYS 1 1HB LYS 1 5.425 7.335 10.003 6 2HB LYS 1 2HB LYS 1 4.346 6.543 8.855 7 1HG LYS 1 1HG LYS 1 3.388 7.392 11.590 8 2HG LYS 1 2HG LYS 1 3.368 8.502 10.219 9 1HD LYS 1 1HD LYS 1 2.244 6.236 9.134 10 2HD LYS 1 2HD LYS 1 1.629 6.197 10.786 11 1HE LYS 1 1HE LYS 1 1.520 8.725 9.121 12 2HE LYS 1 2HE LYS 1 0.213 7.523 9.094 13 1HZ LYS 1 1HZ LYS 1 0.280 7.618 11.582 14 2HZ LYS 1 2HZ LYS 1 1.287 8.979 11.448 15 3HZ LYS 1 3HZ LYS 1 -0.296 9.027 10.836 16 H ASP 2 H ASP 2 2.441 4.382 10.234 17 HA ASP 2 HA ASP 2 3.426 2.478 8.144 18 1HB ASP 2 1HB ASP 2 1.474 1.802 10.358 19 2HB ASP 2 2HB ASP 2 2.282 0.682 9.261 20 H GLY 3 H GLY 3 1.543 1.585 6.855 21 1HA GLY 3 1HA GLY 3 -1.034 2.910 7.013 22 2HA GLY 3 2HA GLY 3 -0.050 3.540 5.691 23 H TYR 4 H TYR 4 -2.105 2.491 4.608 24 HA TYR 4 HA TYR 4 -1.359 -0.313 3.852 25 1HB TYR 4 1HB TYR 4 -3.742 0.767 5.081 26 2HB TYR 4 2HB TYR 4 -4.141 0.062 3.513 27 HD1 TYR 4 HD1 TYR 4 -2.954 -2.265 3.004 28 HD2 TYR 4 HD2 TYR 4 -3.619 -0.656 6.932 29 HE1 TYR 4 HE1 TYR 4 -2.746 -4.539 3.973 30 HE2 TYR 4 HE2 TYR 4 -3.408 -2.929 7.900 31 HH TYR 4 HH TYR 4 -3.063 -5.779 5.828 32 H LEU 5 H LEU 5 -1.002 -0.502 1.696 33 HA LEU 5 HA LEU 5 -1.044 1.610 -0.158 34 1HB LEU 5 1HB LEU 5 -0.510 -1.181 -0.039 35 2HB LEU 5 2HB LEU 5 -1.529 -0.904 -1.451 36 HG LEU 5 HG LEU 5 0.719 1.002 -0.987 37 1HD1 LEU 5 1HD1 LEU 5 1.468 -1.499 -0.678 38 2HD1 LEU 5 2HD1 LEU 5 1.257 -1.580 -2.427 39 3HD1 LEU 5 3HD1 LEU 5 2.403 -0.436 -1.730 40 1HD2 LEU 5 1HD2 LEU 5 -0.999 1.104 -2.867 41 2HD2 LEU 5 2HD2 LEU 5 0.685 1.113 -3.386 42 3HD2 LEU 5 3HD2 LEU 5 -0.265 -0.367 -3.503 43 H VAL 6 H VAL 6 -2.439 1.939 -2.033 44 HA VAL 6 HA VAL 6 -5.283 1.067 -1.633 45 HB VAL 6 HB VAL 6 -5.961 3.305 -2.227 46 1HG1 VAL 6 1HG1 VAL 6 -4.081 2.833 -0.067 47 2HG1 VAL 6 2HG1 VAL 6 -4.009 4.506 -0.618 48 3HG1 VAL 6 3HG1 VAL 6 -5.542 3.820 -0.077 49 1HG2 VAL 6 1HG2 VAL 6 -3.316 3.343 -3.439 50 2HG2 VAL 6 2HG2 VAL 6 -4.709 4.375 -3.770 51 3HG2 VAL 6 3HG2 VAL 6 -3.594 4.789 -2.468 52 H GLU 7 H GLU 7 -6.335 2.064 -3.964 53 HA GLU 7 HA GLU 7 -4.573 1.104 -6.168 54 1HB GLU 7 1HB GLU 7 -6.353 -0.385 -6.959 55 2HB GLU 7 2HB GLU 7 -5.927 -0.789 -5.297 56 1HG GLU 7 1HG GLU 7 -8.062 -0.470 -4.684 57 2HG GLU 7 2HG GLU 7 -7.953 1.213 -5.203 58 H LYS 8 H LYS 8 -5.739 1.525 -8.342 59 HA LYS 8 HA LYS 8 -6.047 4.146 -8.955 60 1HB LYS 8 1HB LYS 8 -6.439 1.793 -10.224 61 2HB LYS 8 2HB LYS 8 -8.104 2.375 -10.159 62 1HG LYS 8 1HG LYS 8 -5.930 4.256 -11.023 63 2HG LYS 8 2HG LYS 8 -6.552 3.072 -12.174 64 1HD LYS 8 1HD LYS 8 -8.205 4.561 -12.585 65 2HD LYS 8 2HD LYS 8 -8.856 4.092 -11.014 66 1HE LYS 8 1HE LYS 8 -7.653 5.903 -9.913 67 2HE LYS 8 2HE LYS 8 -6.840 6.329 -11.432 68 1HZ LYS 8 1HZ LYS 8 -9.174 6.478 -12.389 69 2HZ LYS 8 2HZ LYS 8 -9.723 6.504 -10.785 70 3HZ LYS 8 3HZ LYS 8 -8.695 7.734 -11.350 71 H THR 9 H THR 9 -9.001 2.198 -8.292 72 HA THR 9 HA THR 9 -10.699 4.503 -8.037 73 HB THR 9 HB THR 9 -12.281 2.796 -7.134 74 HG1 THR 9 HG1 THR 9 -10.168 1.687 -6.254 75 1HG2 THR 9 1HG2 THR 9 -10.596 2.038 -9.527 76 2HG2 THR 9 2HG2 THR 9 -12.098 1.213 -9.107 77 3HG2 THR 9 3HG2 THR 9 -12.119 2.927 -9.523 78 H GLY 10 H GLY 10 -8.590 2.863 -5.777 79 1HA GLY 10 1HA GLY 10 -7.886 4.176 -3.791 80 2HA GLY 10 2HA GLY 10 -9.555 4.721 -3.640 81 H CYS 11 H CYS 11 -9.682 1.522 -4.516 82 HA CYS 11 HA CYS 11 -10.572 0.672 -1.887 83 1HB CYS 11 1HB CYS 11 -9.928 -0.834 -4.447 84 2HB CYS 11 2HB CYS 11 -10.818 -1.503 -3.080 85 H LYS 12 H LYS 12 -9.531 -1.048 -0.608 86 HA LYS 12 HA LYS 12 -6.718 -0.722 -0.239 87 1HB LYS 12 1HB LYS 12 -6.969 -2.528 1.319 88 2HB LYS 12 2HB LYS 12 -8.488 -1.640 1.352 89 1HG LYS 12 1HG LYS 12 -9.594 -3.276 0.018 90 2HG LYS 12 2HG LYS 12 -8.071 -4.039 -0.437 91 1HD LYS 12 1HD LYS 12 -7.741 -4.505 2.067 92 2HD LYS 12 2HD LYS 12 -9.446 -4.090 2.250 93 1HE LYS 12 1HE LYS 12 -8.323 -6.279 0.463 94 2HE LYS 12 2HE LYS 12 -9.268 -6.509 1.947 95 1HZ LYS 12 1HZ LYS 12 -10.931 -4.939 0.794 96 2HZ LYS 12 2HZ LYS 12 -10.132 -5.378 -0.635 97 3HZ LYS 12 3HZ LYS 12 -10.887 -6.568 0.313 98 H LYS 13 H LYS 13 -5.698 -3.309 -0.147 99 HA LYS 13 HA LYS 13 -5.967 -4.464 -2.871 100 1HB LYS 13 1HB LYS 13 -4.037 -2.515 -2.159 101 2HB LYS 13 2HB LYS 13 -3.175 -4.049 -2.279 102 1HG LYS 13 1HG LYS 13 -4.710 -4.251 -4.483 103 2HG LYS 13 2HG LYS 13 -4.577 -2.496 -4.394 104 1HD LYS 13 1HD LYS 13 -2.370 -2.512 -4.939 105 2HD LYS 13 2HD LYS 13 -2.040 -3.918 -3.928 106 1HE LYS 13 1HE LYS 13 -1.768 -4.953 -5.968 107 2HE LYS 13 2HE LYS 13 -3.538 -5.073 -5.897 108 1HZ LYS 13 1HZ LYS 13 -3.448 -2.676 -6.803 109 2HZ LYS 13 2HZ LYS 13 -1.875 -3.084 -7.300 110 3HZ LYS 13 3HZ LYS 13 -3.202 -3.964 -7.883 111 H THR 14 H THR 14 -6.205 -6.609 -2.371 112 HA THR 14 HA THR 14 -4.769 -7.752 -0.036 113 HB THR 14 HB THR 14 -6.988 -8.620 -1.896 114 HG1 THR 14 HG1 THR 14 -6.779 -8.222 0.904 115 1HG2 THR 14 1HG2 THR 14 -5.256 -10.261 -0.103 116 2HG2 THR 14 2HG2 THR 14 -6.984 -10.612 -0.115 117 3HG2 THR 14 3HG2 THR 14 -6.055 -10.708 -1.611 118 H CYS 15 H CYS 15 -3.015 -9.129 -0.300 119 HA CYS 15 HA CYS 15 -2.238 -9.777 -3.116 120 1HB CYS 15 1HB CYS 15 -0.072 -9.296 -2.491 121 2HB CYS 15 2HB CYS 15 -0.904 -8.315 -1.293 122 H TYR 16 H TYR 16 -1.121 -11.897 -3.401 123 HA TYR 16 HA TYR 16 -2.364 -13.983 -1.657 124 1HB TYR 16 1HB TYR 16 -1.054 -14.375 -4.351 125 2HB TYR 16 2HB TYR 16 -2.319 -15.347 -3.599 126 HD1 TYR 16 HD1 TYR 16 -4.578 -14.116 -3.091 127 HD2 TYR 16 HD2 TYR 16 -1.641 -12.710 -5.894 128 HE1 TYR 16 HE1 TYR 16 -6.302 -12.719 -4.197 129 HE2 TYR 16 HE2 TYR 16 -3.365 -11.312 -6.999 130 HH TYR 16 HH TYR 16 -6.358 -11.692 -6.929 131 H LYS 17 H LYS 17 0.675 -12.613 -2.644 132 HA LYS 17 HA LYS 17 2.172 -14.909 -1.435 133 1HB LYS 17 1HB LYS 17 3.269 -12.597 -3.050 134 2HB LYS 17 2HB LYS 17 3.988 -14.188 -2.806 135 1HG LYS 17 1HG LYS 17 1.810 -15.069 -3.957 136 2HG LYS 17 2HG LYS 17 1.665 -13.415 -4.553 137 1HD LYS 17 1HD LYS 17 2.886 -14.844 -6.164 138 2HD LYS 17 2HD LYS 17 3.916 -13.556 -5.538 139 1HE LYS 17 1HE LYS 17 5.382 -15.083 -4.740 140 2HE LYS 17 2HE LYS 17 4.094 -15.871 -3.807 141 1HZ LYS 17 1HZ LYS 17 4.547 -16.234 -6.723 142 2HZ LYS 17 2HZ LYS 17 5.029 -17.340 -5.532 143 3HZ LYS 17 3HZ LYS 17 3.377 -17.026 -5.780 144 H LEU 18 H LEU 18 2.362 -14.454 0.767 145 HA LEU 18 HA LEU 18 2.676 -11.717 1.754 146 1HB LEU 18 1HB LEU 18 2.851 -14.470 3.019 147 2HB LEU 18 2HB LEU 18 2.893 -12.961 3.933 148 HG LEU 18 HG LEU 18 0.647 -13.714 2.048 149 1HD1 LEU 18 1HD1 LEU 18 1.212 -14.920 4.484 150 2HD1 LEU 18 2HD1 LEU 18 0.059 -13.658 4.915 151 3HD1 LEU 18 3HD1 LEU 18 -0.371 -14.869 3.707 152 1HD2 LEU 18 1HD2 LEU 18 1.340 -11.256 2.956 153 2HD2 LEU 18 2HD2 LEU 18 -0.331 -11.732 2.656 154 3HD2 LEU 18 3HD2 LEU 18 0.328 -11.794 4.292 155 H GLY 19 H GLY 19 4.591 -11.336 3.346 156 1HA GLY 19 1HA GLY 19 6.935 -11.650 3.869 157 2HA GLY 19 2HA GLY 19 7.087 -12.658 2.429 158 H GLU 20 H GLU 20 9.000 -11.144 2.127 159 HA GLU 20 HA GLU 20 8.724 -8.375 1.534 160 1HB GLU 20 1HB GLU 20 10.742 -10.149 1.746 161 2HB GLU 20 2HB GLU 20 10.640 -10.054 -0.013 162 1HG GLU 20 1HG GLU 20 10.541 -7.442 0.479 163 2HG GLU 20 2HG GLU 20 11.365 -7.927 1.962 164 H ASN 21 H ASN 21 6.576 -8.538 0.329 165 HA ASN 21 HA ASN 21 6.632 -9.646 -2.390 166 1HB ASN 21 1HB ASN 21 4.676 -9.502 -0.717 167 2HB ASN 21 2HB ASN 21 4.589 -7.794 -1.149 168 1HD2 ASN 21 2HD2 ASN 21 2.544 -9.858 -1.748 169 2HD2 ASN 21 1HD2 ASN 21 2.402 -9.910 -3.439 170 H ASP 22 H ASP 22 8.313 -8.389 -3.422 171 HA ASP 22 HA ASP 22 8.782 -5.663 -3.418 172 1HB ASP 22 1HB ASP 22 9.702 -7.729 -4.810 173 2HB ASP 22 2HB ASP 22 8.605 -7.102 -6.041 174 H PHE 23 H PHE 23 6.286 -7.333 -5.376 175 HA PHE 23 HA PHE 23 5.252 -5.252 -6.878 176 1HB PHE 23 1HB PHE 23 4.490 -7.809 -6.067 177 2HB PHE 23 2HB PHE 23 3.153 -6.784 -5.541 178 HD1 PHE 23 HD1 PHE 23 5.466 -6.409 -8.455 179 HD2 PHE 23 HD2 PHE 23 1.439 -7.101 -7.131 180 HE1 PHE 23 HE1 PHE 23 4.668 -6.242 -10.796 181 HE2 PHE 23 HE2 PHE 23 0.642 -6.933 -9.475 182 HZ PHE 23 HZ PHE 23 2.258 -6.504 -11.307 183 H CYS 24 H CYS 24 4.098 -6.028 -3.556 184 HA CYS 24 HA CYS 24 2.413 -3.816 -3.173 185 1HB CYS 24 1HB CYS 24 4.278 -5.313 -1.305 186 2HB CYS 24 2HB CYS 24 3.062 -4.171 -0.737 187 H ASN 25 H ASN 25 5.934 -4.049 -2.577 188 HA ASN 25 HA ASN 25 6.347 -1.399 -1.617 189 1HB ASN 25 1HB ASN 25 8.077 -3.002 -1.380 190 2HB ASN 25 2HB ASN 25 8.002 -3.459 -3.081 191 1HD2 ASN 25 2HD2 ASN 25 9.222 -2.211 -4.594 192 2HD2 ASN 25 1HD2 ASN 25 10.226 -0.922 -4.132 193 H ARG 26 H ARG 26 6.472 -2.717 -4.943 194 HA ARG 26 HA ARG 26 7.197 -0.335 -6.306 195 1HB ARG 26 1HB ARG 26 6.550 -2.954 -6.903 196 2HB ARG 26 2HB ARG 26 5.212 -2.062 -7.628 197 1HG ARG 26 1HG ARG 26 6.826 -2.091 -9.342 198 2HG ARG 26 2HG ARG 26 7.062 -0.511 -8.593 199 1HD ARG 26 1HD ARG 26 9.157 -1.055 -7.896 200 2HD ARG 26 2HD ARG 26 8.620 -2.632 -7.287 201 HE ARG 26 HE ARG 26 8.481 -2.862 -10.065 202 1HH1 ARG 26 1HH1 ARG 26 10.880 -2.034 -7.721 203 2HH1 ARG 26 2HH1 ARG 26 12.194 -2.656 -8.660 204 1HH2 ARG 26 1HH2 ARG 26 10.189 -3.675 -11.296 205 2HH2 ARG 26 2HH2 ARG 26 11.805 -3.583 -10.678 206 H GLU 27 H GLU 27 3.993 -1.571 -5.349 207 HA GLU 27 HA GLU 27 2.529 0.655 -6.515 208 1HB GLU 27 1HB GLU 27 1.858 -1.474 -4.456 209 2HB GLU 27 2HB GLU 27 0.671 -0.409 -5.210 210 1HG GLU 27 1HG GLU 27 2.520 -1.949 -6.988 211 2HG GLU 27 2HG GLU 27 1.180 -2.809 -6.229 212 H CYS 28 H CYS 28 3.802 -0.141 -3.289 213 HA CYS 28 HA CYS 28 2.528 1.867 -1.755 214 1HB CYS 28 1HB CYS 28 4.684 0.004 -1.563 215 2HB CYS 28 2HB CYS 28 5.274 1.559 -0.976 216 H LYS 29 H LYS 29 5.477 2.039 -3.750 217 HA LYS 29 HA LYS 29 5.969 4.860 -3.150 218 1HB LYS 29 1HB LYS 29 7.147 2.616 -4.641 219 2HB LYS 29 2HB LYS 29 7.353 4.167 -5.455 220 1HG LYS 29 1HG LYS 29 8.833 4.904 -3.909 221 2HG LYS 29 2HG LYS 29 7.855 4.309 -2.569 222 1HD LYS 29 1HD LYS 29 8.704 2.050 -2.887 223 2HD LYS 29 2HD LYS 29 9.588 2.551 -4.329 224 1HE LYS 29 1HE LYS 29 11.274 3.521 -3.116 225 2HE LYS 29 2HE LYS 29 10.162 4.124 -1.872 226 1HZ LYS 29 1HZ LYS 29 9.894 1.468 -1.606 227 2HZ LYS 29 2HZ LYS 29 11.532 1.576 -2.039 228 3HZ LYS 29 3HZ LYS 29 10.955 2.409 -0.676 229 H TRP 30 H TRP 30 3.378 4.854 -3.882 230 HA TRP 30 HA TRP 30 2.742 4.939 -6.656 231 1HB TRP 30 1HB TRP 30 1.514 5.308 -4.143 232 2HB TRP 30 2HB TRP 30 1.179 6.775 -5.061 233 HD1 TRP 30 HD1 TRP 30 -0.401 3.686 -4.428 234 HE1 TRP 30 HE1 TRP 30 -1.891 2.892 -6.378 235 HE3 TRP 30 HE3 TRP 30 1.380 6.673 -8.163 236 HZ2 TRP 30 HZ2 TRP 30 -2.272 3.453 -9.159 237 HZ3 TRP 30 HZ3 TRP 30 0.437 6.525 -10.450 238 HH2 TRP 30 HH2 TRP 30 -1.385 4.920 -10.953 239 H LYS 31 H LYS 31 2.758 7.882 -4.605 240 HA LYS 31 HA LYS 31 3.789 9.367 -6.993 241 1HB LYS 31 1HB LYS 31 1.551 9.660 -5.326 242 2HB LYS 31 2HB LYS 31 2.640 10.967 -4.862 243 1HG LYS 31 1HG LYS 31 2.645 10.724 -7.724 244 2HG LYS 31 2HG LYS 31 0.977 10.831 -7.160 245 1HD LYS 31 1HD LYS 31 1.470 12.868 -5.930 246 2HD LYS 31 2HD LYS 31 3.185 12.728 -6.317 247 1HE LYS 31 1HE LYS 31 2.696 13.015 -8.712 248 2HE LYS 31 2HE LYS 31 0.960 13.105 -8.355 249 1HZ LYS 31 1HZ LYS 31 1.933 14.855 -6.597 250 2HZ LYS 31 2HZ LYS 31 3.053 15.059 -7.858 251 3HZ LYS 31 3HZ LYS 31 1.396 15.296 -8.144 252 H HIS 32 H HIS 32 4.708 8.403 -3.815 253 HA HIS 32 HA HIS 32 7.021 10.284 -3.971 254 1HB HIS 32 1HB HIS 32 4.750 10.496 -2.238 255 2HB HIS 32 2HB HIS 32 6.162 10.104 -1.255 256 HD1 HIS 32 HD1 HIS 32 4.542 12.992 -1.886 257 HD2 HIS 32 HD2 HIS 32 8.434 11.863 -2.864 258 HE1 HIS 32 HE1 HIS 32 5.843 15.136 -2.239 259 H ILE 33 H ILE 33 8.629 9.688 -2.133 260 HA ILE 33 HA ILE 33 8.860 6.707 -2.045 261 HB ILE 33 HB ILE 33 11.020 8.726 -1.437 262 1HG1 ILE 33 1HG1 ILE 33 10.021 9.431 -3.568 263 2HG1 ILE 33 2HG1 ILE 33 11.599 8.699 -3.856 264 1HG2 ILE 33 1HG2 ILE 33 10.858 5.896 -1.645 265 2HG2 ILE 33 2HG2 ILE 33 11.791 6.461 -3.031 266 3HG2 ILE 33 3HG2 ILE 33 12.303 6.878 -1.396 267 1HD1 ILE 33 1HD1 ILE 33 8.958 7.229 -4.081 268 2HD1 ILE 33 2HD1 ILE 33 9.856 7.885 -5.449 269 3HD1 ILE 33 3HD1 ILE 33 10.551 6.587 -4.480 270 H GLY 34 H GLY 34 7.763 9.136 -0.123 271 1HA GLY 34 1HA GLY 34 8.984 9.145 2.328 272 2HA GLY 34 2HA GLY 34 7.229 9.087 2.180 273 H GLY 35 H GLY 35 7.272 6.420 0.903 274 1HA GLY 35 1HA GLY 35 7.235 4.840 3.341 275 2HA GLY 35 2HA GLY 35 6.940 4.228 1.712 276 H SER 36 H SER 36 9.276 4.552 4.226 277 HA SER 36 HA SER 36 11.636 4.021 2.610 278 1HB SER 36 1HB SER 36 12.722 4.078 4.701 279 2HB SER 36 2HB SER 36 11.326 5.123 4.950 280 HG SER 36 HG SER 36 11.186 3.759 6.614 281 H TYR 37 H TYR 37 9.024 2.086 3.424 282 HA TYR 37 HA TYR 37 10.451 -0.365 2.657 283 1HB TYR 37 1HB TYR 37 10.987 -0.064 5.062 284 2HB TYR 37 2HB TYR 37 9.260 -0.046 5.426 285 HD1 TYR 37 HD1 TYR 37 11.668 -2.127 3.426 286 HD2 TYR 37 HD2 TYR 37 8.330 -2.057 6.133 287 HE1 TYR 37 HE1 TYR 37 11.644 -4.608 3.464 288 HE2 TYR 37 HE2 TYR 37 8.306 -4.540 6.168 289 HH TYR 37 HH TYR 37 9.396 -6.395 5.560 290 H GLY 38 H GLY 38 8.994 -1.766 1.691 291 1HA GLY 38 1HA GLY 38 6.113 -1.501 2.364 292 2HA GLY 38 2HA GLY 38 6.591 -1.288 0.680 293 H TYR 39 H TYR 39 5.009 -3.430 2.178 294 HA TYR 39 HA TYR 39 5.867 -5.682 0.606 295 1HB TYR 39 1HB TYR 39 7.007 -6.974 2.219 296 2HB TYR 39 2HB TYR 39 7.628 -5.351 2.498 297 HD1 TYR 39 HD1 TYR 39 5.118 -4.217 3.859 298 HD2 TYR 39 HD2 TYR 39 7.301 -7.874 4.412 299 HE1 TYR 39 HE1 TYR 39 4.335 -4.330 6.207 300 HE2 TYR 39 HE2 TYR 39 6.516 -7.986 6.762 301 HH TYR 39 HH TYR 39 5.272 -7.042 8.327 302 H CYS 40 H CYS 40 4.532 -7.677 1.242 303 HA CYS 40 HA CYS 40 1.853 -6.761 2.086 304 1HB CYS 40 1HB CYS 40 2.425 -8.227 0.067 305 2HB CYS 40 2HB CYS 40 2.722 -9.525 1.224 306 H TYR 41 H TYR 41 0.860 -7.340 3.976 307 HA TYR 41 HA TYR 41 2.259 -9.282 5.783 308 1HB TYR 41 1HB TYR 41 2.764 -7.093 6.599 309 2HB TYR 41 2HB TYR 41 1.122 -6.523 6.295 310 HD1 TYR 41 HD1 TYR 41 3.084 -8.961 8.332 311 HD2 TYR 41 HD2 TYR 41 -0.536 -6.681 7.965 312 HE1 TYR 41 HE1 TYR 41 2.419 -9.648 10.622 313 HE2 TYR 41 HE2 TYR 41 -1.200 -7.366 10.254 314 HH TYR 41 HH TYR 41 0.908 -9.450 12.235 315 H GLY 42 H GLY 42 0.854 -10.953 6.197 316 1HA GLY 42 1HA GLY 42 -1.182 -11.972 6.897 317 2HA GLY 42 2HA GLY 42 -1.961 -10.387 6.831 318 H PHE 43 H PHE 43 -2.296 -9.488 4.597 319 HA PHE 43 HA PHE 43 -2.221 -11.269 2.300 320 1HB PHE 43 1HB PHE 43 -4.684 -10.956 3.985 321 2HB PHE 43 2HB PHE 43 -4.875 -11.110 2.238 322 HD1 PHE 43 HD1 PHE 43 -2.633 -12.905 1.534 323 HD2 PHE 43 HD2 PHE 43 -5.362 -13.043 4.850 324 HE1 PHE 43 HE1 PHE 43 -2.285 -15.351 1.718 325 HE2 PHE 43 HE2 PHE 43 -5.016 -15.490 5.032 326 HZ PHE 43 HZ PHE 43 -3.476 -16.645 3.468 327 H GLY 44 H GLY 44 -1.630 -8.432 3.211 328 1HA GLY 44 1HA GLY 44 -2.746 -7.103 0.823 329 2HA GLY 44 2HA GLY 44 -3.166 -6.377 2.376 330 H CYS 45 H CYS 45 -1.571 -5.103 0.333 331 HA CYS 45 HA CYS 45 1.245 -5.259 1.064 332 1HB CYS 45 1HB CYS 45 -0.369 -3.198 -0.474 333 2HB CYS 45 2HB CYS 45 1.386 -3.363 -0.509 334 H TYR 46 H TYR 46 2.201 -4.184 2.757 335 HA TYR 46 HA TYR 46 0.693 -1.905 4.000 336 1HB TYR 46 1HB TYR 46 0.902 -4.229 5.154 337 2HB TYR 46 2HB TYR 46 2.580 -3.768 5.436 338 HD1 TYR 46 HD1 TYR 46 -0.867 -2.307 5.739 339 HD2 TYR 46 HD2 TYR 46 3.078 -2.632 7.408 340 HE1 TYR 46 HE1 TYR 46 -1.577 -0.937 7.681 341 HE2 TYR 46 HE2 TYR 46 2.368 -1.263 9.351 342 HH TYR 46 HH TYR 46 0.093 -0.774 10.517 343 H CYS 47 H CYS 47 1.883 -0.032 4.292 344 HA CYS 47 HA CYS 47 4.744 -0.076 3.435 345 1HB CYS 47 1HB CYS 47 2.465 1.595 3.009 346 2HB CYS 47 2HB CYS 47 3.672 2.543 3.878 347 H GLU 48 H GLU 48 6.363 0.731 4.838 348 HA GLU 48 HA GLU 48 5.461 1.462 7.606 349 1HB GLU 48 1HB GLU 48 7.790 -0.268 6.715 350 2HB GLU 48 2HB GLU 48 7.411 0.142 8.388 351 1HG GLU 48 1HG GLU 48 5.058 -0.845 7.845 352 2HG GLU 48 2HG GLU 48 5.878 -1.615 6.485 353 H GLY 49 H GLY 49 6.668 3.118 8.604 354 1HA GLY 49 1HA GLY 49 8.240 4.859 8.802 355 2HA GLY 49 2HA GLY 49 9.189 4.070 7.542 356 H LEU 50 H LEU 50 5.826 4.955 7.079 357 HA LEU 50 HA LEU 50 6.684 6.812 4.919 358 1HB LEU 50 1HB LEU 50 4.197 6.540 4.332 359 2HB LEU 50 2HB LEU 50 5.206 5.105 4.177 360 HG LEU 50 HG LEU 50 3.945 5.538 6.834 361 1HD1 LEU 50 1HD1 LEU 50 2.424 5.341 4.305 362 2HD1 LEU 50 2HD1 LEU 50 1.951 4.184 5.549 363 3HD1 LEU 50 3HD1 LEU 50 1.903 5.914 5.890 364 1HD2 LEU 50 1HD2 LEU 50 5.129 3.433 5.270 365 2HD2 LEU 50 2HD2 LEU 50 4.631 3.391 6.962 366 3HD2 LEU 50 3HD2 LEU 50 3.482 2.971 5.693 367 HA PRO 51 HA PRO 51 5.749 9.995 8.037 368 1HB PRO 51 1HB PRO 51 6.292 11.870 5.888 369 2HB PRO 51 2HB PRO 51 7.233 11.567 7.351 370 1HG PRO 51 1HG PRO 51 7.897 10.811 4.686 371 2HG PRO 51 2HG PRO 51 8.774 10.406 6.164 372 1HD PRO 51 1HD PRO 51 7.222 8.643 4.485 373 2HD PRO 51 2HD PRO 51 8.113 8.233 5.970 374 H ASP 52 H ASP 52 3.981 11.506 8.215 375 HA ASP 52 HA ASP 52 1.526 10.884 7.092 376 1HB ASP 52 1HB ASP 52 2.559 12.744 8.824 377 2HB ASP 52 2HB ASP 52 2.014 13.770 7.495 378 H SER 53 H SER 53 4.135 12.649 5.567 379 HA SER 53 HA SER 53 2.651 14.052 3.567 380 1HB SER 53 1HB SER 53 5.420 12.851 3.325 381 2HB SER 53 2HB SER 53 4.811 14.311 2.549 382 HG SER 53 HG SER 53 5.003 15.384 4.387 383 H THR 54 H THR 54 3.494 10.677 3.882 384 HA THR 54 HA THR 54 3.115 10.058 1.036 385 HB THR 54 HB THR 54 3.177 8.145 3.376 386 HG1 THR 54 HG1 THR 54 5.366 9.395 2.078 387 1HG2 THR 54 1HG2 THR 54 2.768 7.413 0.953 388 2HG2 THR 54 2HG2 THR 54 4.438 7.893 0.645 389 3HG2 THR 54 3HG2 THR 54 4.088 6.613 1.806 390 H GLN 55 H GLN 55 1.245 9.217 0.114 391 HA GLN 55 HA GLN 55 -1.245 9.406 1.699 392 1HB GLN 55 1HB GLN 55 -0.383 9.341 -1.148 393 2HB GLN 55 2HB GLN 55 -1.986 8.689 -0.808 394 1HG GLN 55 1HG GLN 55 -1.904 11.011 0.712 395 2HG GLN 55 2HG GLN 55 -1.072 11.466 -0.775 396 1HE2 GLN 55 2HE2 GLN 55 -4.129 10.050 0.443 397 2HE2 GLN 55 1HE2 GLN 55 -5.053 10.479 -0.914 398 H THR 56 H THR 56 -2.695 7.614 1.937 399 HA THR 56 HA THR 56 -1.991 4.956 0.938 400 HB THR 56 HB THR 56 -0.410 4.941 2.673 401 HG1 THR 56 HG1 THR 56 -2.790 4.085 3.941 402 1HG2 THR 56 1HG2 THR 56 -2.419 6.640 4.116 403 2HG2 THR 56 2HG2 THR 56 -1.192 5.768 5.032 404 3HG2 THR 56 3HG2 THR 56 -0.710 6.953 3.819 405 H TRP 57 H TRP 57 -3.493 3.286 2.045 406 HA TRP 57 HA TRP 57 -6.235 4.279 1.967 407 1HB TRP 57 1HB TRP 57 -5.023 1.987 1.297 408 2HB TRP 57 2HB TRP 57 -5.441 1.566 2.953 409 HD1 TRP 57 HD1 TRP 57 -7.171 2.936 -0.225 410 HE1 TRP 57 HE1 TRP 57 -9.600 2.073 -0.252 411 HE3 TRP 57 HE3 TRP 57 -7.278 0.469 4.242 412 HZ2 TRP 57 HZ2 TRP 57 -11.358 0.539 1.406 413 HZ3 TRP 57 HZ3 TRP 57 -9.337 -0.684 4.995 414 HH2 TRP 57 HH2 TRP 57 -11.376 -0.653 3.585 415 HA PRO 58 HA PRO 58 -8.178 3.715 2.723 416 1HB PRO 58 1HB PRO 58 -9.785 5.552 4.153 417 2HB PRO 58 2HB PRO 58 -9.955 3.794 4.135 418 1HG PRO 58 1HG PRO 58 -9.016 5.501 6.290 419 2HG PRO 58 2HG PRO 58 -9.374 3.771 6.328 420 1HD PRO 58 1HD PRO 58 -6.785 5.028 6.347 421 2HD PRO 58 2HD PRO 58 -7.146 3.285 6.326 422 H LEU 59 H LEU 59 -8.200 5.099 0.969 423 HA LEU 59 HA LEU 59 -6.626 7.479 0.866 424 1HB LEU 59 1HB LEU 59 -8.716 6.110 -0.802 425 2HB LEU 59 2HB LEU 59 -8.204 7.726 -1.271 426 HG LEU 59 HG LEU 59 -6.510 5.232 -1.042 427 1HD1 LEU 59 1HD1 LEU 59 -7.874 6.340 -3.158 428 2HD1 LEU 59 2HD1 LEU 59 -6.271 7.048 -3.345 429 3HD1 LEU 59 3HD1 LEU 59 -6.461 5.295 -3.310 430 1HD2 LEU 59 1HD2 LEU 59 -5.704 8.135 -1.037 431 2HD2 LEU 59 2HD2 LEU 59 -5.073 6.812 -0.058 432 3HD2 LEU 59 3HD2 LEU 59 -4.653 6.923 -1.768 433 HA PRO 60 HA PRO 60 -9.085 10.846 2.262 434 1HB PRO 60 1HB PRO 60 -9.368 12.083 -0.352 435 2HB PRO 60 2HB PRO 60 -8.380 12.604 1.015 436 1HG PRO 60 1HG PRO 60 -7.471 11.431 -1.413 437 2HG PRO 60 2HG PRO 60 -6.504 11.824 0.011 438 1HD PRO 60 1HD PRO 60 -7.217 9.213 -0.971 439 2HD PRO 60 2HD PRO 60 -6.258 9.606 0.474 440 H ASN 61 H ASN 61 -11.083 12.281 0.905 441 HA ASN 61 HA ASN 61 -13.433 10.866 1.294 442 1HB ASN 61 1HB ASN 61 -12.802 12.890 -0.883 443 2HB ASN 61 2HB ASN 61 -14.418 12.508 -0.288 444 1HD2 ASN 61 2HD2 ASN 61 -14.502 12.678 2.308 445 2HD2 ASN 61 1HD2 ASN 61 -13.774 14.071 2.948 446 H LYS 62 H LYS 62 -11.185 10.627 -1.368 447 HA LYS 62 HA LYS 62 -12.926 9.182 -3.194 448 1HB LYS 62 1HB LYS 62 -10.249 10.236 -3.042 449 2HB LYS 62 2HB LYS 62 -10.175 8.570 -3.616 450 1HG LYS 62 1HG LYS 62 -11.414 9.025 -5.523 451 2HG LYS 62 2HG LYS 62 -12.248 10.391 -4.782 452 1HD LYS 62 1HD LYS 62 -9.355 10.804 -4.944 453 2HD LYS 62 2HD LYS 62 -10.093 10.565 -6.530 454 1HE LYS 62 1HE LYS 62 -11.611 12.357 -4.720 455 2HE LYS 62 2HE LYS 62 -10.039 12.981 -5.261 456 1HZ LYS 62 1HZ LYS 62 -11.591 11.604 -7.286 457 2HZ LYS 62 2HZ LYS 62 -12.261 13.070 -6.756 458 3HZ LYS 62 3HZ LYS 62 -10.688 13.039 -7.398 459 H THR 63 H THR 63 -13.535 7.839 -0.996 460 HA THR 63 HA THR 63 -11.812 5.765 -0.078 461 HB THR 63 HB THR 63 -13.799 6.351 1.127 462 HG1 THR 63 HG1 THR 63 -14.575 3.938 -0.086 463 1HG2 THR 63 1HG2 THR 63 -14.953 6.344 -1.551 464 2HG2 THR 63 2HG2 THR 63 -15.973 5.497 -0.389 465 3HG2 THR 63 3HG2 THR 63 -15.507 7.172 -0.096 466 H CYS 64 H CYS 64 -12.839 3.345 -0.444 467 HA CYS 64 HA CYS 64 -11.949 2.439 -2.962 468 1HB CYS 64 1HB CYS 64 -12.222 0.971 -1.061 469 2HB CYS 64 2HB CYS 64 -13.943 1.333 -0.963 Start of MODEL 10 1 1H LYS 1 1H LYS 1 6.563 4.702 9.048 2 2H LYS 1 2H LYS 1 6.488 6.180 9.882 3 3H LYS 1 3H LYS 1 6.674 4.725 10.739 4 HA LYS 1 HA LYS 1 4.442 5.012 11.045 5 1HB LYS 1 1HB LYS 1 4.215 7.122 10.035 6 2HB LYS 1 2HB LYS 1 4.801 6.544 8.475 7 1HG LYS 1 1HG LYS 1 2.739 5.852 7.820 8 2HG LYS 1 2HG LYS 1 2.345 5.210 9.415 9 1HD LYS 1 1HD LYS 1 1.272 7.107 10.028 10 2HD LYS 1 2HD LYS 1 2.553 8.135 9.385 11 1HE LYS 1 1HE LYS 1 1.387 8.525 7.480 12 2HE LYS 1 2HE LYS 1 1.051 6.797 7.258 13 1HZ LYS 1 1HZ LYS 1 -0.565 7.026 9.144 14 2HZ LYS 1 2HZ LYS 1 -0.385 8.708 9.017 15 3HZ LYS 1 3HZ LYS 1 -1.018 7.825 7.713 16 H ASP 2 H ASP 2 2.838 3.455 10.603 17 HA ASP 2 HA ASP 2 3.429 1.600 8.319 18 1HB ASP 2 1HB ASP 2 1.922 1.026 10.889 19 2HB ASP 2 2HB ASP 2 2.606 -0.145 9.761 20 H GLY 3 H GLY 3 1.838 1.504 6.764 21 1HA GLY 3 1HA GLY 3 -0.984 1.789 7.477 22 2HA GLY 3 2HA GLY 3 -0.356 3.137 6.525 23 H TYR 4 H TYR 4 -2.194 2.043 5.128 24 HA TYR 4 HA TYR 4 -0.946 -0.068 3.394 25 1HB TYR 4 1HB TYR 4 -3.737 0.575 4.315 26 2HB TYR 4 2HB TYR 4 -3.507 -0.294 2.797 27 HD1 TYR 4 HD1 TYR 4 -1.971 -2.381 2.846 28 HD2 TYR 4 HD2 TYR 4 -3.657 -0.575 6.360 29 HE1 TYR 4 HE1 TYR 4 -1.597 -4.485 4.107 30 HE2 TYR 4 HE2 TYR 4 -3.283 -2.676 7.620 31 HH TYR 4 HH TYR 4 -2.540 -4.760 7.539 32 H LEU 5 H LEU 5 -1.502 0.151 1.054 33 HA LEU 5 HA LEU 5 -1.625 3.024 0.242 34 1HB LEU 5 1HB LEU 5 -0.673 0.469 -1.084 35 2HB LEU 5 2HB LEU 5 -0.705 2.031 -1.904 36 HG LEU 5 HG LEU 5 0.665 1.735 0.762 37 1HD1 LEU 5 1HD1 LEU 5 1.580 0.004 -0.789 38 2HD1 LEU 5 2HD1 LEU 5 1.932 1.278 -1.957 39 3HD1 LEU 5 3HD1 LEU 5 2.759 1.257 -0.400 40 1HD2 LEU 5 1HD2 LEU 5 0.189 3.989 -0.230 41 2HD2 LEU 5 2HD2 LEU 5 1.913 3.672 -0.035 42 3HD2 LEU 5 3HD2 LEU 5 1.167 3.539 -1.627 43 H VAL 6 H VAL 6 -3.160 3.696 -1.342 44 HA VAL 6 HA VAL 6 -5.439 1.795 -1.758 45 HB VAL 6 HB VAL 6 -6.779 3.812 -1.978 46 1HG1 VAL 6 1HG1 VAL 6 -5.177 3.218 0.313 47 2HG1 VAL 6 2HG1 VAL 6 -5.370 4.967 0.206 48 3HG1 VAL 6 3HG1 VAL 6 -6.791 3.924 0.261 49 1HG2 VAL 6 1HG2 VAL 6 -4.374 4.937 -2.905 50 2HG2 VAL 6 2HG2 VAL 6 -5.917 5.768 -2.701 51 3HG2 VAL 6 3HG2 VAL 6 -4.727 5.786 -1.400 52 H GLU 7 H GLU 7 -6.671 2.796 -3.933 53 HA GLU 7 HA GLU 7 -4.590 3.033 -6.070 54 1HB GLU 7 1HB GLU 7 -5.722 1.326 -7.360 55 2HB GLU 7 2HB GLU 7 -5.439 0.677 -5.746 56 1HG GLU 7 1HG GLU 7 -7.641 0.166 -5.780 57 2HG GLU 7 2HG GLU 7 -7.893 1.878 -5.448 58 H LYS 8 H LYS 8 -5.763 3.630 -8.222 59 HA LYS 8 HA LYS 8 -6.777 6.130 -8.309 60 1HB LYS 8 1HB LYS 8 -7.300 3.648 -9.868 61 2HB LYS 8 2HB LYS 8 -8.321 5.042 -10.220 62 1HG LYS 8 1HG LYS 8 -6.652 5.990 -11.391 63 2HG LYS 8 2HG LYS 8 -5.618 5.949 -9.962 64 1HD LYS 8 1HD LYS 8 -4.998 3.609 -10.490 65 2HD LYS 8 2HD LYS 8 -5.996 3.684 -11.944 66 1HE LYS 8 1HE LYS 8 -4.325 5.970 -12.039 67 2HE LYS 8 2HE LYS 8 -3.282 4.606 -11.590 68 1HZ LYS 8 1HZ LYS 8 -4.724 3.387 -13.377 69 2HZ LYS 8 2HZ LYS 8 -4.951 4.960 -13.980 70 3HZ LYS 8 3HZ LYS 8 -3.386 4.322 -13.847 71 H THR 9 H THR 9 -9.108 3.385 -8.212 72 HA THR 9 HA THR 9 -11.325 5.106 -7.553 73 HB THR 9 HB THR 9 -12.444 2.909 -7.155 74 HG1 THR 9 HG1 THR 9 -11.021 1.071 -7.626 75 1HG2 THR 9 1HG2 THR 9 -11.930 3.921 -9.467 76 2HG2 THR 9 2HG2 THR 9 -10.657 2.705 -9.573 77 3HG2 THR 9 3HG2 THR 9 -12.340 2.206 -9.410 78 H GLY 10 H GLY 10 -8.975 3.330 -5.637 79 1HA GLY 10 1HA GLY 10 -8.573 4.342 -3.365 80 2HA GLY 10 2HA GLY 10 -10.325 4.355 -3.171 81 H CYS 11 H CYS 11 -10.106 1.601 -4.718 82 HA CYS 11 HA CYS 11 -10.388 -0.068 -2.405 83 1HB CYS 11 1HB CYS 11 -10.114 -0.370 -5.366 84 2HB CYS 11 2HB CYS 11 -9.886 -1.814 -4.380 85 H LYS 12 H LYS 12 -8.828 -1.174 -1.227 86 HA LYS 12 HA LYS 12 -6.049 -0.545 -1.462 87 1HB LYS 12 1HB LYS 12 -5.833 -2.444 0.149 88 2HB LYS 12 2HB LYS 12 -7.121 -1.327 0.591 89 1HG LYS 12 1HG LYS 12 -8.787 -2.838 0.108 90 2HG LYS 12 2HG LYS 12 -7.860 -3.601 -1.185 91 1HD LYS 12 1HD LYS 12 -6.317 -4.495 0.660 92 2HD LYS 12 2HD LYS 12 -7.578 -4.011 1.797 93 1HE LYS 12 1HE LYS 12 -8.931 -5.396 -0.256 94 2HE LYS 12 2HE LYS 12 -7.485 -6.360 0.104 95 1HZ LYS 12 1HZ LYS 12 -8.080 -5.791 2.538 96 2HZ LYS 12 2HZ LYS 12 -9.635 -5.504 1.926 97 3HZ LYS 12 3HZ LYS 12 -8.926 -7.038 1.752 98 H LYS 13 H LYS 13 -4.629 -2.878 -1.414 99 HA LYS 13 HA LYS 13 -5.236 -4.200 -4.042 100 1HB LYS 13 1HB LYS 13 -2.954 -2.616 -3.101 101 2HB LYS 13 2HB LYS 13 -2.474 -4.175 -3.772 102 1HG LYS 13 1HG LYS 13 -3.539 -3.717 -5.860 103 2HG LYS 13 2HG LYS 13 -4.400 -2.328 -5.195 104 1HD LYS 13 1HD LYS 13 -2.687 -1.175 -6.186 105 2HD LYS 13 2HD LYS 13 -1.862 -1.565 -4.676 106 1HE LYS 13 1HE LYS 13 -1.555 -3.830 -6.369 107 2HE LYS 13 2HE LYS 13 -1.166 -2.397 -7.343 108 1HZ LYS 13 1HZ LYS 13 -0.216 -2.451 -4.579 109 2HZ LYS 13 2HZ LYS 13 0.584 -3.462 -5.687 110 3HZ LYS 13 3HZ LYS 13 0.512 -1.786 -5.959 111 H THR 14 H THR 14 -5.917 -6.207 -3.222 112 HA THR 14 HA THR 14 -4.715 -7.503 -0.934 113 HB THR 14 HB THR 14 -6.541 -8.325 -3.201 114 HG1 THR 14 HG1 THR 14 -7.066 -8.260 -0.438 115 1HG2 THR 14 1HG2 THR 14 -5.063 -10.017 -1.318 116 2HG2 THR 14 2HG2 THR 14 -6.809 -10.256 -1.238 117 3HG2 THR 14 3HG2 THR 14 -5.958 -10.467 -2.768 118 H CYS 15 H CYS 15 -3.300 -9.323 -0.925 119 HA CYS 15 HA CYS 15 -1.941 -9.962 -3.511 120 1HB CYS 15 1HB CYS 15 -0.088 -8.901 -2.749 121 2HB CYS 15 2HB CYS 15 -0.968 -8.428 -1.302 122 H TYR 16 H TYR 16 -0.901 -12.118 -3.458 123 HA TYR 16 HA TYR 16 -2.343 -13.972 -1.634 124 1HB TYR 16 1HB TYR 16 -1.079 -14.022 -4.318 125 2HB TYR 16 2HB TYR 16 -0.942 -15.516 -3.389 126 HD1 TYR 16 HD1 TYR 16 -3.355 -15.719 -1.866 127 HD2 TYR 16 HD2 TYR 16 -2.831 -14.215 -5.855 128 HE1 TYR 16 HE1 TYR 16 -5.720 -16.260 -2.379 129 HE2 TYR 16 HE2 TYR 16 -5.197 -14.758 -6.370 130 HH TYR 16 HH TYR 16 -7.406 -15.903 -3.868 131 H LYS 17 H LYS 17 1.016 -13.509 -2.830 132 HA LYS 17 HA LYS 17 2.168 -15.196 -0.763 133 1HB LYS 17 1HB LYS 17 3.251 -13.133 -2.707 134 2HB LYS 17 2HB LYS 17 4.285 -14.116 -1.669 135 1HG LYS 17 1HG LYS 17 2.278 -15.224 -3.654 136 2HG LYS 17 2HG LYS 17 4.016 -15.109 -3.935 137 1HD LYS 17 1HD LYS 17 4.398 -16.993 -2.764 138 2HD LYS 17 2HD LYS 17 3.478 -16.382 -1.388 139 1HE LYS 17 1HE LYS 17 1.572 -17.009 -3.397 140 2HE LYS 17 2HE LYS 17 2.691 -18.384 -3.303 141 1HZ LYS 17 1HZ LYS 17 2.504 -18.068 -0.794 142 2HZ LYS 17 2HZ LYS 17 1.120 -17.140 -1.127 143 3HZ LYS 17 3HZ LYS 17 1.181 -18.776 -1.586 144 H LEU 18 H LEU 18 1.293 -14.274 1.209 145 HA LEU 18 HA LEU 18 1.463 -11.524 1.944 146 1HB LEU 18 1HB LEU 18 1.521 -14.014 3.678 147 2HB LEU 18 2HB LEU 18 1.012 -12.402 4.186 148 HG LEU 18 HG LEU 18 -0.317 -14.175 2.129 149 1HD1 LEU 18 1HD1 LEU 18 -0.665 -14.225 4.788 150 2HD1 LEU 18 2HD1 LEU 18 -1.741 -12.882 4.405 151 3HD1 LEU 18 3HD1 LEU 18 -2.005 -14.462 3.668 152 1HD2 LEU 18 1HD2 LEU 18 -0.424 -11.241 2.585 153 2HD2 LEU 18 2HD2 LEU 18 -0.719 -12.160 1.110 154 3HD2 LEU 18 3HD2 LEU 18 -1.971 -12.053 2.349 155 H GLY 19 H GLY 19 2.926 -10.476 3.354 156 1HA GLY 19 1HA GLY 19 5.054 -9.861 4.106 157 2HA GLY 19 2HA GLY 19 5.287 -11.564 4.481 158 H GLU 20 H GLU 20 7.319 -9.885 3.520 159 HA GLU 20 HA GLU 20 8.854 -9.595 1.713 160 1HB GLU 20 1HB GLU 20 8.272 -12.476 2.283 161 2HB GLU 20 2HB GLU 20 9.363 -12.098 0.949 162 1HG GLU 20 1HG GLU 20 10.319 -10.426 2.880 163 2HG GLU 20 2HG GLU 20 9.767 -11.785 3.859 164 H ASN 21 H ASN 21 6.597 -8.749 0.569 165 HA ASN 21 HA ASN 21 6.094 -10.409 -1.861 166 1HB ASN 21 1HB ASN 21 4.231 -9.600 -0.406 167 2HB ASN 21 2HB ASN 21 4.705 -7.941 -0.773 168 1HD2 ASN 21 2HD2 ASN 21 2.727 -10.504 -1.813 169 2HD2 ASN 21 1HD2 ASN 21 2.371 -9.919 -3.365 170 H ASP 22 H ASP 22 7.993 -9.864 -3.074 171 HA ASP 22 HA ASP 22 9.280 -7.452 -3.450 172 1HB ASP 22 1HB ASP 22 9.977 -9.484 -4.539 173 2HB ASP 22 2HB ASP 22 8.463 -9.586 -5.440 174 H PHE 23 H PHE 23 6.366 -8.492 -5.280 175 HA PHE 23 HA PHE 23 5.977 -6.248 -6.895 176 1HB PHE 23 1HB PHE 23 4.573 -8.527 -6.082 177 2HB PHE 23 2HB PHE 23 3.509 -7.187 -5.651 178 HD1 PHE 23 HD1 PHE 23 5.948 -7.663 -8.456 179 HD2 PHE 23 HD2 PHE 23 1.872 -6.955 -7.304 180 HE1 PHE 23 HE1 PHE 23 5.323 -7.389 -10.839 181 HE2 PHE 23 HE2 PHE 23 1.246 -6.680 -9.689 182 HZ PHE 23 HZ PHE 23 2.971 -6.897 -11.455 183 H CYS 24 H CYS 24 4.516 -6.676 -3.634 184 HA CYS 24 HA CYS 24 3.461 -4.057 -3.381 185 1HB CYS 24 1HB CYS 24 4.482 -6.132 -1.429 186 2HB CYS 24 2HB CYS 24 3.715 -4.641 -0.885 187 H ASN 25 H ASN 25 6.672 -5.331 -2.463 188 HA ASN 25 HA ASN 25 7.740 -3.097 -1.139 189 1HB ASN 25 1HB ASN 25 8.868 -5.237 -1.299 190 2HB ASN 25 2HB ASN 25 8.977 -5.098 -3.053 191 1HD2 ASN 25 2HD2 ASN 25 10.935 -4.274 -3.809 192 2HD2 ASN 25 1HD2 ASN 25 12.007 -3.324 -2.898 193 H ARG 26 H ARG 26 7.523 -3.699 -4.653 194 HA ARG 26 HA ARG 26 9.002 -1.369 -5.468 195 1HB ARG 26 1HB ARG 26 7.062 -3.316 -6.663 196 2HB ARG 26 2HB ARG 26 7.447 -1.854 -7.572 197 1HG ARG 26 1HG ARG 26 9.937 -2.668 -6.755 198 2HG ARG 26 2HG ARG 26 9.124 -4.211 -7.015 199 1HD ARG 26 1HD ARG 26 8.458 -2.406 -9.163 200 2HD ARG 26 2HD ARG 26 10.219 -2.507 -8.998 201 HE ARG 26 HE ARG 26 8.530 -4.573 -10.026 202 1HH1 ARG 26 1HH1 ARG 26 11.098 -4.151 -7.737 203 2HH1 ARG 26 2HH1 ARG 26 11.488 -5.834 -7.691 204 1HH2 ARG 26 1HH2 ARG 26 9.063 -6.751 -9.984 205 2HH2 ARG 26 2HH2 ARG 26 10.353 -7.298 -8.967 206 H GLU 27 H GLU 27 5.476 -1.978 -5.263 207 HA GLU 27 HA GLU 27 4.463 0.489 -6.070 208 1HB GLU 27 1HB GLU 27 3.045 -1.370 -5.494 209 2HB GLU 27 2HB GLU 27 3.657 -1.398 -3.841 210 1HG GLU 27 1HG GLU 27 2.745 0.992 -3.630 211 2HG GLU 27 2HG GLU 27 1.869 0.669 -5.128 212 H CYS 28 H CYS 28 5.778 -0.363 -2.867 213 HA CYS 28 HA CYS 28 5.259 2.276 -1.731 214 1HB CYS 28 1HB CYS 28 5.635 -0.205 -0.753 215 2HB CYS 28 2HB CYS 28 7.285 0.400 -0.606 216 H LYS 29 H LYS 29 7.894 0.727 -3.459 217 HA LYS 29 HA LYS 29 9.766 2.940 -2.789 218 1HB LYS 29 1HB LYS 29 9.869 0.146 -3.665 219 2HB LYS 29 2HB LYS 29 10.981 1.178 -4.564 220 1HG LYS 29 1HG LYS 29 10.794 1.117 -1.539 221 2HG LYS 29 2HG LYS 29 11.984 0.213 -2.474 222 1HD LYS 29 1HD LYS 29 11.795 3.080 -3.162 223 2HD LYS 29 2HD LYS 29 12.388 2.746 -1.534 224 1HE LYS 29 1HE LYS 29 14.286 1.637 -2.301 225 2HE LYS 29 2HE LYS 29 13.513 1.165 -3.828 226 1HZ LYS 29 1HZ LYS 29 13.342 3.795 -4.020 227 2HZ LYS 29 2HZ LYS 29 14.755 3.697 -3.082 228 3HZ LYS 29 3HZ LYS 29 14.682 2.930 -4.598 229 H TRP 30 H TRP 30 7.314 3.205 -4.622 230 HA TRP 30 HA TRP 30 8.542 3.619 -7.264 231 1HB TRP 30 1HB TRP 30 6.219 4.220 -7.880 232 2HB TRP 30 2HB TRP 30 6.325 2.664 -7.077 233 HD1 TRP 30 HD1 TRP 30 3.606 3.565 -6.940 234 HE1 TRP 30 HE1 TRP 30 2.443 4.553 -4.875 235 HE3 TRP 30 HE3 TRP 30 7.679 5.179 -4.238 236 HZ2 TRP 30 HZ2 TRP 30 3.109 5.843 -2.439 237 HZ3 TRP 30 HZ3 TRP 30 7.358 6.280 -2.062 238 HH2 TRP 30 HH2 TRP 30 5.080 6.615 -1.152 239 H LYS 31 H LYS 31 6.793 5.970 -7.831 240 HA LYS 31 HA LYS 31 8.529 8.038 -6.530 241 1HB LYS 31 1HB LYS 31 6.952 8.277 -9.101 242 2HB LYS 31 2HB LYS 31 8.340 9.236 -8.587 243 1HG LYS 31 1HG LYS 31 8.352 6.301 -9.352 244 2HG LYS 31 2HG LYS 31 9.080 7.629 -10.255 245 1HD LYS 31 1HD LYS 31 10.188 7.923 -7.737 246 2HD LYS 31 2HD LYS 31 10.115 6.172 -7.935 247 1HE LYS 31 1HE LYS 31 11.130 6.606 -10.294 248 2HE LYS 31 2HE LYS 31 11.575 8.193 -9.636 249 1HZ LYS 31 1HZ LYS 31 12.090 5.718 -8.110 250 2HZ LYS 31 2HZ LYS 31 13.195 6.253 -9.280 251 3HZ LYS 31 3HZ LYS 31 12.827 7.240 -7.948 252 H HIS 32 H HIS 32 7.398 9.063 -4.915 253 HA HIS 32 HA HIS 32 4.762 10.238 -5.538 254 1HB HIS 32 1HB HIS 32 5.186 7.790 -3.974 255 2HB HIS 32 2HB HIS 32 4.263 9.012 -3.097 256 HD1 HIS 32 HD1 HIS 32 2.059 9.912 -4.306 257 HD2 HIS 32 HD2 HIS 32 3.784 6.548 -6.063 258 HE1 HIS 32 HE1 HIS 32 0.313 8.944 -5.864 259 H ILE 33 H ILE 33 6.525 9.431 -2.517 260 HA ILE 33 HA ILE 33 7.055 12.335 -2.104 261 HB ILE 33 HB ILE 33 5.618 10.481 -0.182 262 1HG1 ILE 33 1HG1 ILE 33 4.708 12.951 -1.698 263 2HG1 ILE 33 2HG1 ILE 33 4.214 11.294 -2.042 264 1HG2 ILE 33 1HG2 ILE 33 7.024 13.056 0.140 265 2HG2 ILE 33 2HG2 ILE 33 5.383 13.043 0.783 266 3HG2 ILE 33 3HG2 ILE 33 6.564 11.868 1.358 267 1HD1 ILE 33 1HD1 ILE 33 3.838 11.995 0.767 268 2HD1 ILE 33 2HD1 ILE 33 2.926 13.048 -0.315 269 3HD1 ILE 33 3HD1 ILE 33 2.691 11.301 -0.379 270 H GLY 34 H GLY 34 7.454 9.055 -0.735 271 1HA GLY 34 1HA GLY 34 10.343 9.415 -0.551 272 2HA GLY 34 2HA GLY 34 9.548 9.405 1.023 273 H GLY 35 H GLY 35 8.035 7.503 1.374 274 1HA GLY 35 1HA GLY 35 7.655 5.184 1.429 275 2HA GLY 35 2HA GLY 35 8.307 5.117 -0.208 276 H SER 36 H SER 36 8.909 4.328 3.035 277 HA SER 36 HA SER 36 11.849 4.263 2.787 278 1HB SER 36 1HB SER 36 11.653 4.323 5.043 279 2HB SER 36 2HB SER 36 9.907 4.405 4.830 280 HG SER 36 HG SER 36 10.128 2.593 5.963 281 H TYR 37 H TYR 37 9.433 1.767 3.671 282 HA TYR 37 HA TYR 37 10.423 -0.123 1.670 283 1HB TYR 37 1HB TYR 37 12.216 -0.093 3.408 284 2HB TYR 37 2HB TYR 37 11.018 -0.571 4.613 285 HD1 TYR 37 HD1 TYR 37 12.476 -1.610 1.325 286 HD2 TYR 37 HD2 TYR 37 10.494 -2.833 4.934 287 HE1 TYR 37 HE1 TYR 37 12.760 -3.990 0.676 288 HE2 TYR 37 HE2 TYR 37 10.777 -5.211 4.286 289 HH TYR 37 HH TYR 37 11.150 -6.363 1.634 290 H GLY 38 H GLY 38 8.837 -1.719 1.356 291 1HA GLY 38 1HA GLY 38 6.901 -2.242 3.522 292 2HA GLY 38 2HA GLY 38 6.243 -1.509 2.062 293 H TYR 39 H TYR 39 5.250 -3.902 2.754 294 HA TYR 39 HA TYR 39 5.983 -5.613 0.485 295 1HB TYR 39 1HB TYR 39 6.451 -7.556 2.057 296 2HB TYR 39 2HB TYR 39 7.678 -6.288 2.080 297 HD1 TYR 39 HD1 TYR 39 4.556 -7.401 3.811 298 HD2 TYR 39 HD2 TYR 39 8.243 -5.218 4.096 299 HE1 TYR 39 HE1 TYR 39 4.175 -7.074 6.240 300 HE2 TYR 39 HE2 TYR 39 7.864 -4.891 6.525 301 HH TYR 39 HH TYR 39 4.847 -5.591 8.018 302 H CYS 40 H CYS 40 4.640 -7.945 1.398 303 HA CYS 40 HA CYS 40 1.858 -6.923 1.472 304 1HB CYS 40 1HB CYS 40 2.658 -8.686 -0.115 305 2HB CYS 40 2HB CYS 40 2.942 -9.751 1.261 306 H TYR 41 H TYR 41 0.760 -6.789 3.368 307 HA TYR 41 HA TYR 41 1.366 -8.732 5.546 308 1HB TYR 41 1HB TYR 41 2.552 -6.327 5.554 309 2HB TYR 41 2HB TYR 41 1.004 -5.850 6.256 310 HD1 TYR 41 HD1 TYR 41 2.914 -9.052 6.558 311 HD2 TYR 41 HD2 TYR 41 1.385 -5.575 8.564 312 HE1 TYR 41 HE1 TYR 41 3.605 -10.006 8.739 313 HE2 TYR 41 HE2 TYR 41 2.080 -6.528 10.745 314 HH TYR 41 HH TYR 41 2.590 -8.654 11.739 315 H GLY 42 H GLY 42 -0.643 -9.679 5.710 316 1HA GLY 42 1HA GLY 42 -2.903 -9.759 6.437 317 2HA GLY 42 2HA GLY 42 -2.915 -7.996 6.496 318 H PHE 43 H PHE 43 -2.076 -10.155 3.794 319 HA PHE 43 HA PHE 43 -2.960 -10.274 1.608 320 1HB PHE 43 1HB PHE 43 -5.246 -9.733 3.459 321 2HB PHE 43 2HB PHE 43 -5.552 -9.625 1.725 322 HD1 PHE 43 HD1 PHE 43 -4.290 -11.622 0.347 323 HD2 PHE 43 HD2 PHE 43 -5.646 -11.814 4.421 324 HE1 PHE 43 HE1 PHE 43 -4.369 -14.097 0.205 325 HE2 PHE 43 HE2 PHE 43 -5.724 -14.289 4.276 326 HZ PHE 43 HZ PHE 43 -5.084 -15.430 2.172 327 H GLY 44 H GLY 44 -1.466 -8.097 1.773 328 1HA GLY 44 1HA GLY 44 -2.362 -6.287 -0.127 329 2HA GLY 44 2HA GLY 44 -2.897 -5.597 1.405 330 H CYS 45 H CYS 45 -0.898 -4.452 -0.364 331 HA CYS 45 HA CYS 45 1.757 -4.990 0.683 332 1HB CYS 45 1HB CYS 45 0.723 -2.551 -0.782 333 2HB CYS 45 2HB CYS 45 2.367 -3.181 -0.785 334 H TYR 46 H TYR 46 1.867 -4.620 2.926 335 HA TYR 46 HA TYR 46 0.807 -2.079 4.041 336 1HB TYR 46 1HB TYR 46 0.606 -4.416 5.081 337 2HB TYR 46 2HB TYR 46 2.334 -4.307 5.419 338 HD1 TYR 46 HD1 TYR 46 -0.692 -2.101 5.717 339 HD2 TYR 46 HD2 TYR 46 2.910 -3.561 7.545 340 HE1 TYR 46 HE1 TYR 46 -1.170 -0.748 7.739 341 HE2 TYR 46 HE2 TYR 46 2.431 -2.205 9.566 342 HH TYR 46 HH TYR 46 -0.070 -1.209 10.560 343 H CYS 47 H CYS 47 2.142 -0.309 4.090 344 HA CYS 47 HA CYS 47 5.079 -0.712 3.789 345 1HB CYS 47 1HB CYS 47 3.126 1.563 3.449 346 2HB CYS 47 2HB CYS 47 4.866 1.851 3.461 347 H GLU 48 H GLU 48 6.556 0.421 5.233 348 HA GLU 48 HA GLU 48 5.340 1.173 7.875 349 1HB GLU 48 1HB GLU 48 7.908 -0.346 7.310 350 2HB GLU 48 2HB GLU 48 7.260 0.032 8.907 351 1HG GLU 48 1HG GLU 48 5.651 -1.585 8.787 352 2HG GLU 48 2HG GLU 48 5.408 -1.364 7.054 353 H GLY 49 H GLY 49 5.748 3.251 6.212 354 1HA GLY 49 1HA GLY 49 7.631 4.900 7.538 355 2HA GLY 49 2HA GLY 49 8.413 4.285 6.086 356 H LEU 50 H LEU 50 4.950 4.884 6.155 357 HA LEU 50 HA LEU 50 5.074 6.596 3.847 358 1HB LEU 50 1HB LEU 50 2.871 6.260 5.904 359 2HB LEU 50 2HB LEU 50 2.677 6.789 4.238 360 HG LEU 50 HG LEU 50 2.170 4.598 3.884 361 1HD1 LEU 50 1HD1 LEU 50 4.589 5.064 2.964 362 2HD1 LEU 50 2HD1 LEU 50 5.067 3.901 4.200 363 3HD1 LEU 50 3HD1 LEU 50 3.936 3.428 2.932 364 1HD2 LEU 50 1HD2 LEU 50 3.073 4.385 6.576 365 2HD2 LEU 50 2HD2 LEU 50 2.047 3.264 5.681 366 3HD2 LEU 50 3HD2 LEU 50 3.799 3.064 5.658 367 HA PRO 51 HA PRO 51 6.421 10.187 6.248 368 1HB PRO 51 1HB PRO 51 5.884 11.732 3.856 369 2HB PRO 51 2HB PRO 51 7.446 11.322 4.572 370 1HG PRO 51 1HG PRO 51 6.287 10.247 2.188 371 2HG PRO 51 2HG PRO 51 7.819 9.796 2.940 372 1HD PRO 51 1HD PRO 51 5.397 8.248 2.809 373 2HD PRO 51 2HD PRO 51 6.929 7.809 3.601 374 H ASP 52 H ASP 52 5.310 12.182 6.920 375 HA ASP 52 HA ASP 52 2.521 11.895 7.380 376 1HB ASP 52 1HB ASP 52 3.992 13.241 8.765 377 2HB ASP 52 2HB ASP 52 4.381 14.290 7.401 378 H SER 53 H SER 53 4.144 12.863 4.519 379 HA SER 53 HA SER 53 1.890 14.528 3.536 380 1HB SER 53 1HB SER 53 4.731 14.103 2.981 381 2HB SER 53 2HB SER 53 3.763 14.174 1.510 382 HG SER 53 HG SER 53 4.186 16.101 3.496 383 H THR 54 H THR 54 2.463 11.268 3.750 384 HA THR 54 HA THR 54 1.416 10.623 1.033 385 HB THR 54 HB THR 54 1.904 8.362 2.759 386 HG1 THR 54 HG1 THR 54 3.321 9.448 3.950 387 1HG2 THR 54 1HG2 THR 54 2.097 8.821 0.159 388 2HG2 THR 54 2HG2 THR 54 3.759 9.235 0.578 389 3HG2 THR 54 3HG2 THR 54 3.133 7.626 0.941 390 H GLN 55 H GLN 55 -0.405 9.095 0.880 391 HA GLN 55 HA GLN 55 -2.425 9.562 3.031 392 1HB GLN 55 1HB GLN 55 -3.021 10.228 0.773 393 2HB GLN 55 2HB GLN 55 -2.551 8.651 0.138 394 1HG GLN 55 1HG GLN 55 -4.936 8.611 0.318 395 2HG GLN 55 2HG GLN 55 -4.329 7.647 1.663 396 1HE2 GLN 55 2HE2 GLN 55 -4.936 11.167 1.072 397 2HE2 GLN 55 1HE2 GLN 55 -5.728 11.423 2.551 398 H THR 56 H THR 56 -3.821 7.645 3.631 399 HA THR 56 HA THR 56 -2.484 5.015 3.170 400 HB THR 56 HB THR 56 -3.159 4.866 5.789 401 HG1 THR 56 HG1 THR 56 -3.799 6.905 6.116 402 1HG2 THR 56 1HG2 THR 56 -0.903 4.609 4.483 403 2HG2 THR 56 2HG2 THR 56 -0.602 6.252 5.049 404 3HG2 THR 56 3HG2 THR 56 -0.862 4.952 6.212 405 H TRP 57 H TRP 57 -3.913 3.312 3.014 406 HA TRP 57 HA TRP 57 -6.732 3.767 2.623 407 1HB TRP 57 1HB TRP 57 -5.192 1.976 1.658 408 2HB TRP 57 2HB TRP 57 -5.244 1.191 3.226 409 HD1 TRP 57 HD1 TRP 57 -7.605 2.249 0.372 410 HE1 TRP 57 HE1 TRP 57 -9.649 0.679 0.394 411 HE3 TRP 57 HE3 TRP 57 -6.580 -0.484 4.566 412 HZ2 TRP 57 HZ2 TRP 57 -10.706 -1.455 1.973 413 HZ3 TRP 57 HZ3 TRP 57 -8.117 -2.283 5.301 414 HH2 TRP 57 HH2 TRP 57 -10.178 -2.772 4.011 415 HA PRO 58 HA PRO 58 -8.578 2.845 2.782 416 1HB PRO 58 1HB PRO 58 -10.867 3.820 4.102 417 2HB PRO 58 2HB PRO 58 -10.535 2.134 3.687 418 1HG PRO 58 1HG PRO 58 -10.567 3.375 6.308 419 2HG PRO 58 2HG PRO 58 -10.396 1.664 5.901 420 1HD PRO 58 1HD PRO 58 -8.344 3.497 6.804 421 2HD PRO 58 2HD PRO 58 -8.183 1.760 6.441 422 H LEU 59 H LEU 59 -9.961 4.737 1.833 423 HA LEU 59 HA LEU 59 -8.495 7.262 2.288 424 1HB LEU 59 1HB LEU 59 -10.409 6.096 0.280 425 2HB LEU 59 2HB LEU 59 -10.106 7.832 0.282 426 HG LEU 59 HG LEU 59 -7.824 5.864 0.308 427 1HD1 LEU 59 1HD1 LEU 59 -9.726 6.335 -1.839 428 2HD1 LEU 59 2HD1 LEU 59 -8.094 6.814 -2.310 429 3HD1 LEU 59 3HD1 LEU 59 -8.406 5.172 -1.748 430 1HD2 LEU 59 1HD2 LEU 59 -7.883 8.561 0.620 431 2HD2 LEU 59 2HD2 LEU 59 -6.523 7.700 -0.099 432 3HD2 LEU 59 3HD2 LEU 59 -7.737 8.456 -1.133 433 HA PRO 60 HA PRO 60 -11.505 9.504 4.589 434 1HB PRO 60 1HB PRO 60 -12.013 11.476 2.514 435 2HB PRO 60 2HB PRO 60 -11.122 11.665 4.028 436 1HG PRO 60 1HG PRO 60 -10.024 11.567 1.419 437 2HG PRO 60 2HG PRO 60 -9.134 11.544 2.944 438 1HD PRO 60 1HD PRO 60 -9.500 9.380 1.049 439 2HD PRO 60 2HD PRO 60 -8.525 9.385 2.536 440 H ASN 61 H ASN 61 -13.731 10.950 3.718 441 HA ASN 61 HA ASN 61 -15.786 9.087 3.477 442 1HB ASN 61 1HB ASN 61 -15.403 11.959 2.694 443 2HB ASN 61 2HB ASN 61 -16.903 11.154 2.238 444 1HD2 ASN 61 2HD2 ASN 61 -18.256 12.267 3.763 445 2HD2 ASN 61 1HD2 ASN 61 -18.105 12.057 5.440 446 H LYS 62 H LYS 62 -13.750 10.448 0.957 447 HA LYS 62 HA LYS 62 -15.325 9.278 -1.235 448 1HB LYS 62 1HB LYS 62 -14.099 11.413 -1.430 449 2HB LYS 62 2HB LYS 62 -12.580 10.572 -1.112 450 1HG LYS 62 1HG LYS 62 -12.768 9.294 -3.144 451 2HG LYS 62 2HG LYS 62 -14.416 9.862 -3.413 452 1HD LYS 62 1HD LYS 62 -13.328 11.348 -4.788 453 2HD LYS 62 2HD LYS 62 -13.177 12.246 -3.278 454 1HE LYS 62 1HE LYS 62 -10.961 12.212 -4.124 455 2HE LYS 62 2HE LYS 62 -10.968 10.869 -2.964 456 1HZ LYS 62 1HZ LYS 62 -11.793 10.452 -5.767 457 2HZ LYS 62 2HZ LYS 62 -10.152 10.405 -5.344 458 3HZ LYS 62 3HZ LYS 62 -11.241 9.308 -4.639 459 H THR 63 H THR 63 -15.002 7.081 0.081 460 HA THR 63 HA THR 63 -12.410 5.764 -0.252 461 HB THR 63 HB THR 63 -13.850 5.258 1.631 462 HG1 THR 63 HG1 THR 63 -14.153 2.974 1.224 463 1HG2 THR 63 1HG2 THR 63 -15.884 4.893 -0.540 464 2HG2 THR 63 2HG2 THR 63 -16.060 3.980 0.958 465 3HG2 THR 63 3HG2 THR 63 -16.033 5.743 0.998 466 H CYS 64 H CYS 64 -13.042 3.255 -1.128 467 HA CYS 64 HA CYS 64 -13.264 3.620 -4.017 468 1HB CYS 64 1HB CYS 64 -11.760 1.995 -2.844 469 2HB CYS 64 2HB CYS 64 -13.187 1.111 -2.305 Start of MODEL 11 1 1H LYS 1 1H LYS 1 7.043 4.811 9.770 2 2H LYS 1 2H LYS 1 7.231 6.423 9.276 3 3H LYS 1 3H LYS 1 7.009 6.062 10.921 4 HA LYS 1 HA LYS 1 4.778 5.864 10.734 5 1HB LYS 1 1HB LYS 1 5.934 7.903 9.313 6 2HB LYS 1 2HB LYS 1 4.897 7.178 8.083 7 1HG LYS 1 1HG LYS 1 3.347 7.259 10.439 8 2HG LYS 1 2HG LYS 1 4.154 8.824 10.343 9 1HD LYS 1 1HD LYS 1 2.028 8.910 9.128 10 2HD LYS 1 2HD LYS 1 3.373 9.060 7.995 11 1HE LYS 1 1HE LYS 1 1.916 7.465 6.981 12 2HE LYS 1 2HE LYS 1 3.177 6.476 7.744 13 1HZ LYS 1 1HZ LYS 1 0.932 7.276 9.423 14 2HZ LYS 1 2HZ LYS 1 0.602 6.107 8.235 15 3HZ LYS 1 3HZ LYS 1 1.803 5.821 9.404 16 H ASP 2 H ASP 2 3.414 4.203 10.174 17 HA ASP 2 HA ASP 2 3.927 2.766 7.600 18 1HB ASP 2 1HB ASP 2 2.318 1.880 10.009 19 2HB ASP 2 2HB ASP 2 2.978 0.865 8.726 20 H GLY 3 H GLY 3 2.108 2.226 6.260 21 1HA GLY 3 1HA GLY 3 -0.557 3.219 6.946 22 2HA GLY 3 2HA GLY 3 0.236 4.141 5.667 23 H TYR 4 H TYR 4 -1.855 3.120 4.647 24 HA TYR 4 HA TYR 4 -1.069 0.531 3.347 25 1HB TYR 4 1HB TYR 4 -3.506 1.486 4.734 26 2HB TYR 4 2HB TYR 4 -3.799 0.631 3.222 27 HD1 TYR 4 HD1 TYR 4 -2.358 -1.589 2.909 28 HD2 TYR 4 HD2 TYR 4 -3.304 0.232 6.682 29 HE1 TYR 4 HE1 TYR 4 -1.976 -3.758 4.051 30 HE2 TYR 4 HE2 TYR 4 -2.924 -1.937 7.826 31 HH TYR 4 HH TYR 4 -2.982 -4.384 7.191 32 H LEU 5 H LEU 5 -0.179 1.760 1.505 33 HA LEU 5 HA LEU 5 -1.405 3.860 0.108 34 1HB LEU 5 1HB LEU 5 0.450 1.620 -0.492 35 2HB LEU 5 2HB LEU 5 -0.294 2.395 -1.892 36 HG LEU 5 HG LEU 5 0.765 4.202 0.221 37 1HD1 LEU 5 1HD1 LEU 5 2.533 2.602 -1.656 38 2HD1 LEU 5 2HD1 LEU 5 3.061 4.032 -0.769 39 3HD1 LEU 5 3HD1 LEU 5 2.576 2.582 0.108 40 1HD2 LEU 5 1HD2 LEU 5 0.661 4.135 -2.806 41 2HD2 LEU 5 2HD2 LEU 5 -0.219 5.207 -1.719 42 3HD2 LEU 5 3HD2 LEU 5 1.524 5.389 -1.914 43 H VAL 6 H VAL 6 -3.082 3.984 -1.381 44 HA VAL 6 HA VAL 6 -4.901 1.640 -1.531 45 HB VAL 6 HB VAL 6 -6.505 3.322 -2.265 46 1HG1 VAL 6 1HG1 VAL 6 -4.689 4.170 0.001 47 2HG1 VAL 6 2HG1 VAL 6 -6.198 5.008 -0.365 48 3HG1 VAL 6 3HG1 VAL 6 -6.226 3.309 0.107 49 1HG2 VAL 6 1HG2 VAL 6 -4.032 4.737 -2.973 50 2HG2 VAL 6 2HG2 VAL 6 -5.658 4.928 -3.628 51 3HG2 VAL 6 3HG2 VAL 6 -5.201 5.763 -2.143 52 H GLU 7 H GLU 7 -6.183 2.098 -3.905 53 HA GLU 7 HA GLU 7 -4.083 1.399 -5.910 54 1HB GLU 7 1HB GLU 7 -5.938 -0.186 -5.365 55 2HB GLU 7 2HB GLU 7 -7.096 1.025 -5.920 56 1HG GLU 7 1HG GLU 7 -6.650 0.627 -8.115 57 2HG GLU 7 2HG GLU 7 -4.917 0.456 -7.828 58 H LYS 8 H LYS 8 -4.487 2.232 -8.158 59 HA LYS 8 HA LYS 8 -4.545 5.000 -8.400 60 1HB LYS 8 1HB LYS 8 -5.065 2.649 -10.145 61 2HB LYS 8 2HB LYS 8 -5.572 4.214 -10.782 62 1HG LYS 8 1HG LYS 8 -3.388 4.257 -11.499 63 2HG LYS 8 2HG LYS 8 -3.140 4.910 -9.880 64 1HD LYS 8 1HD LYS 8 -1.707 3.201 -9.537 65 2HD LYS 8 2HD LYS 8 -3.122 2.148 -9.499 66 1HE LYS 8 1HE LYS 8 -1.778 1.161 -11.180 67 2HE LYS 8 2HE LYS 8 -2.889 2.177 -12.120 68 1HZ LYS 8 1HZ LYS 8 -0.900 3.881 -11.326 69 2HZ LYS 8 2HZ LYS 8 -0.066 2.462 -11.741 70 3HZ LYS 8 3HZ LYS 8 -1.083 3.215 -12.875 71 H THR 9 H THR 9 -7.306 2.831 -8.077 72 HA THR 9 HA THR 9 -9.225 4.980 -8.768 73 HB THR 9 HB THR 9 -10.805 3.187 -8.755 74 HG1 THR 9 HG1 THR 9 -8.817 1.749 -7.340 75 1HG2 THR 9 1HG2 THR 9 -8.437 3.054 -10.231 76 2HG2 THR 9 2HG2 THR 9 -8.680 1.413 -9.631 77 3HG2 THR 9 3HG2 THR 9 -9.940 2.200 -10.583 78 H GLY 10 H GLY 10 -7.538 3.988 -6.030 79 1HA GLY 10 1HA GLY 10 -7.821 5.141 -3.907 80 2HA GLY 10 2HA GLY 10 -9.535 5.333 -4.279 81 H CYS 11 H CYS 11 -9.199 2.328 -5.237 82 HA CYS 11 HA CYS 11 -10.350 1.164 -2.853 83 1HB CYS 11 1HB CYS 11 -9.442 0.289 -5.571 84 2HB CYS 11 2HB CYS 11 -9.762 -0.954 -4.362 85 H LYS 12 H LYS 12 -9.255 -1.075 -2.116 86 HA LYS 12 HA LYS 12 -6.672 -0.352 -0.949 87 1HB LYS 12 1HB LYS 12 -6.974 -2.646 0.072 88 2HB LYS 12 2HB LYS 12 -8.331 -1.555 0.340 89 1HG LYS 12 1HG LYS 12 -9.712 -3.012 -0.672 90 2HG LYS 12 2HG LYS 12 -8.750 -2.907 -2.147 91 1HD LYS 12 1HD LYS 12 -7.153 -4.575 -1.105 92 2HD LYS 12 2HD LYS 12 -8.339 -4.797 0.181 93 1HE LYS 12 1HE LYS 12 -8.890 -6.515 -1.349 94 2HE LYS 12 2HE LYS 12 -10.017 -5.221 -1.801 95 1HZ LYS 12 1HZ LYS 12 -8.050 -4.421 -3.248 96 2HZ LYS 12 2HZ LYS 12 -7.499 -6.022 -3.108 97 3HZ LYS 12 3HZ LYS 12 -9.011 -5.706 -3.810 98 H LYS 13 H LYS 13 -5.233 -2.639 -0.903 99 HA LYS 13 HA LYS 13 -4.823 -3.565 -3.707 100 1HB LYS 13 1HB LYS 13 -3.303 -1.570 -2.309 101 2HB LYS 13 2HB LYS 13 -2.283 -2.994 -2.524 102 1HG LYS 13 1HG LYS 13 -3.922 -2.078 -4.850 103 2HG LYS 13 2HG LYS 13 -2.482 -1.148 -4.433 104 1HD LYS 13 1HD LYS 13 -1.693 -3.844 -4.278 105 2HD LYS 13 2HD LYS 13 -2.668 -3.726 -5.744 106 1HE LYS 13 1HE LYS 13 -1.232 -2.153 -6.732 107 2HE LYS 13 2HE LYS 13 -0.552 -1.654 -5.170 108 1HZ LYS 13 1HZ LYS 13 -0.245 -4.348 -6.389 109 2HZ LYS 13 2HZ LYS 13 0.956 -3.145 -6.370 110 3HZ LYS 13 3HZ LYS 13 0.422 -3.839 -4.915 111 H THR 14 H THR 14 -5.744 -5.513 -2.553 112 HA THR 14 HA THR 14 -4.134 -6.778 -0.458 113 HB THR 14 HB THR 14 -6.568 -7.497 -2.100 114 HG1 THR 14 HG1 THR 14 -6.259 -7.139 0.685 115 1HG2 THR 14 1HG2 THR 14 -5.225 -9.542 -1.560 116 2HG2 THR 14 2HG2 THR 14 -5.356 -9.122 0.149 117 3HG2 THR 14 3HG2 THR 14 -6.805 -9.513 -0.776 118 H CYS 15 H CYS 15 -3.096 -8.862 -0.712 119 HA CYS 15 HA CYS 15 -2.364 -9.566 -3.536 120 1HB CYS 15 1HB CYS 15 -0.079 -9.931 -2.720 121 2HB CYS 15 2HB CYS 15 -0.595 -8.298 -2.303 122 H TYR 16 H TYR 16 -1.271 -11.903 -3.431 123 HA TYR 16 HA TYR 16 -3.158 -13.612 -1.882 124 1HB TYR 16 1HB TYR 16 -1.367 -13.972 -4.291 125 2HB TYR 16 2HB TYR 16 -2.142 -15.347 -3.504 126 HD1 TYR 16 HD1 TYR 16 -4.760 -14.603 -2.793 127 HD2 TYR 16 HD2 TYR 16 -2.504 -13.302 -6.210 128 HE1 TYR 16 HE1 TYR 16 -6.870 -14.103 -3.996 129 HE2 TYR 16 HE2 TYR 16 -4.615 -12.799 -7.411 130 HH TYR 16 HH TYR 16 -7.419 -13.967 -6.771 131 H LYS 17 H LYS 17 0.306 -13.814 -2.814 132 HA LYS 17 HA LYS 17 0.907 -15.500 -0.498 133 1HB LYS 17 1HB LYS 17 3.193 -15.369 -1.447 134 2HB LYS 17 2HB LYS 17 2.006 -15.724 -2.704 135 1HG LYS 17 1HG LYS 17 2.190 -12.885 -2.454 136 2HG LYS 17 2HG LYS 17 3.830 -13.526 -2.572 137 1HD LYS 17 1HD LYS 17 2.229 -14.955 -4.439 138 2HD LYS 17 2HD LYS 17 1.874 -13.240 -4.649 139 1HE LYS 17 1HE LYS 17 4.516 -12.998 -4.496 140 2HE LYS 17 2HE LYS 17 4.473 -14.689 -5.031 141 1HZ LYS 17 1HZ LYS 17 2.540 -13.270 -6.474 142 2HZ LYS 17 2HZ LYS 17 3.980 -12.379 -6.552 143 3HZ LYS 17 3HZ LYS 17 3.957 -13.999 -7.061 144 H LEU 18 H LEU 18 1.585 -14.760 1.488 145 HA LEU 18 HA LEU 18 1.830 -11.846 1.912 146 1HB LEU 18 1HB LEU 18 1.904 -14.270 3.736 147 2HB LEU 18 2HB LEU 18 1.909 -12.599 4.301 148 HG LEU 18 HG LEU 18 -0.252 -13.784 2.538 149 1HD1 LEU 18 1HD1 LEU 18 -0.114 -13.369 5.535 150 2HD1 LEU 18 2HD1 LEU 18 -1.625 -13.626 4.663 151 3HD1 LEU 18 3HD1 LEU 18 -0.389 -14.884 4.675 152 1HD2 LEU 18 1HD2 LEU 18 0.106 -11.313 2.408 153 2HD2 LEU 18 2HD2 LEU 18 -1.462 -11.737 3.096 154 3HD2 LEU 18 3HD2 LEU 18 -0.147 -11.216 4.150 155 H GLY 19 H GLY 19 3.671 -11.606 3.893 156 1HA GLY 19 1HA GLY 19 5.978 -11.749 4.443 157 2HA GLY 19 2HA GLY 19 6.176 -12.957 3.173 158 H GLU 20 H GLU 20 8.163 -11.460 2.865 159 HA GLU 20 HA GLU 20 8.030 -8.831 1.855 160 1HB GLU 20 1HB GLU 20 10.102 -9.942 2.440 161 2HB GLU 20 2HB GLU 20 9.835 -11.183 1.215 162 1HG GLU 20 1HG GLU 20 11.351 -9.714 0.172 163 2HG GLU 20 2HG GLU 20 9.788 -9.203 -0.466 164 H ASN 21 H ASN 21 6.027 -8.855 0.518 165 HA ASN 21 HA ASN 21 6.011 -10.414 -1.970 166 1HB ASN 21 1HB ASN 21 4.074 -9.534 -0.400 167 2HB ASN 21 2HB ASN 21 4.230 -8.069 -1.371 168 1HD2 ASN 21 2HD2 ASN 21 2.052 -10.256 -1.308 169 2HD2 ASN 21 1HD2 ASN 21 1.890 -10.716 -2.934 170 H ASP 22 H ASP 22 7.907 -9.647 -3.083 171 HA ASP 22 HA ASP 22 8.847 -7.075 -3.480 172 1HB ASP 22 1HB ASP 22 9.944 -9.012 -4.392 173 2HB ASP 22 2HB ASP 22 8.546 -9.400 -5.398 174 H PHE 23 H PHE 23 6.148 -8.628 -5.234 175 HA PHE 23 HA PHE 23 5.508 -6.837 -7.215 176 1HB PHE 23 1HB PHE 23 4.280 -8.916 -6.320 177 2HB PHE 23 2HB PHE 23 3.465 -7.813 -5.210 178 HD1 PHE 23 HD1 PHE 23 2.406 -5.664 -6.306 179 HD2 PHE 23 HD2 PHE 23 3.376 -9.258 -8.449 180 HE1 PHE 23 HE1 PHE 23 0.823 -5.020 -8.103 181 HE2 PHE 23 HE2 PHE 23 1.796 -8.614 -10.247 182 HZ PHE 23 HZ PHE 23 0.518 -6.495 -10.073 183 H CYS 24 H CYS 24 4.080 -6.488 -3.947 184 HA CYS 24 HA CYS 24 3.259 -3.761 -4.359 185 1HB CYS 24 1HB CYS 24 2.343 -5.424 -2.713 186 2HB CYS 24 2HB CYS 24 3.832 -5.264 -1.784 187 H ASN 25 H ASN 25 6.026 -5.199 -2.606 188 HA ASN 25 HA ASN 25 7.261 -2.913 -1.590 189 1HB ASN 25 1HB ASN 25 8.255 -4.948 -1.047 190 2HB ASN 25 2HB ASN 25 8.151 -5.552 -2.698 191 1HD2 ASN 25 2HD2 ASN 25 9.840 -2.953 -0.842 192 2HD2 ASN 25 1HD2 ASN 25 11.287 -3.067 -1.724 193 H ARG 26 H ARG 26 8.027 -4.360 -4.796 194 HA ARG 26 HA ARG 26 9.677 -2.332 -5.800 195 1HB ARG 26 1HB ARG 26 8.202 -4.589 -6.744 196 2HB ARG 26 2HB ARG 26 7.928 -3.261 -7.874 197 1HG ARG 26 1HG ARG 26 10.313 -2.936 -8.164 198 2HG ARG 26 2HG ARG 26 10.669 -4.101 -6.891 199 1HD ARG 26 1HD ARG 26 10.390 -5.874 -8.289 200 2HD ARG 26 2HD ARG 26 8.938 -5.179 -9.026 201 HE ARG 26 HE ARG 26 11.596 -5.058 -10.110 202 1HH1 ARG 26 1HH1 ARG 26 8.865 -3.018 -9.517 203 2HH1 ARG 26 2HH1 ARG 26 9.383 -1.801 -10.632 204 1HH2 ARG 26 1HH2 ARG 26 12.260 -3.487 -11.567 205 2HH2 ARG 26 2HH2 ARG 26 11.297 -2.065 -11.790 206 H GLU 27 H GLU 27 6.100 -2.511 -5.997 207 HA GLU 27 HA GLU 27 5.784 -0.008 -7.388 208 1HB GLU 27 1HB GLU 27 4.199 -2.071 -6.912 209 2HB GLU 27 2HB GLU 27 3.748 -1.134 -5.488 210 1HG GLU 27 1HG GLU 27 2.973 0.689 -6.798 211 2HG GLU 27 2HG GLU 27 3.770 0.086 -8.251 212 H CYS 28 H CYS 28 5.621 -0.889 -3.924 213 HA CYS 28 HA CYS 28 5.122 1.842 -3.041 214 1HB CYS 28 1HB CYS 28 4.434 -0.219 -1.831 215 2HB CYS 28 2HB CYS 28 6.131 -0.624 -1.581 216 H LYS 29 H LYS 29 7.828 0.416 -4.363 217 HA LYS 29 HA LYS 29 9.798 1.834 -2.641 218 1HB LYS 29 1HB LYS 29 10.068 -0.553 -3.409 219 2HB LYS 29 2HB LYS 29 10.165 0.042 -5.066 220 1HG LYS 29 1HG LYS 29 12.082 1.524 -4.304 221 2HG LYS 29 2HG LYS 29 12.066 0.628 -2.785 222 1HD LYS 29 1HD LYS 29 13.688 -0.476 -4.126 223 2HD LYS 29 2HD LYS 29 12.251 -1.494 -4.219 224 1HE LYS 29 1HE LYS 29 11.696 0.022 -6.326 225 2HE LYS 29 2HE LYS 29 13.454 0.271 -6.326 226 1HZ LYS 29 1HZ LYS 29 12.127 -2.383 -6.150 227 2HZ LYS 29 2HZ LYS 29 12.776 -1.729 -7.577 228 3HZ LYS 29 3HZ LYS 29 13.793 -2.092 -6.267 229 H TRP 30 H TRP 30 8.116 3.597 -4.025 230 HA TRP 30 HA TRP 30 9.232 4.380 -6.599 231 1HB TRP 30 1HB TRP 30 7.220 5.383 -4.614 232 2HB TRP 30 2HB TRP 30 7.757 6.470 -5.892 233 HD1 TRP 30 HD1 TRP 30 5.072 4.245 -5.283 234 HE1 TRP 30 HE1 TRP 30 4.101 3.233 -7.446 235 HE3 TRP 30 HE3 TRP 30 8.859 5.318 -8.528 236 HZ2 TRP 30 HZ2 TRP 30 4.838 2.923 -10.195 237 HZ3 TRP 30 HZ3 TRP 30 8.701 4.656 -10.910 238 HH2 TRP 30 HH2 TRP 30 6.697 3.461 -11.749 239 H LYS 31 H LYS 31 9.492 7.121 -6.416 240 HA LYS 31 HA LYS 31 11.787 7.493 -4.517 241 1HB LYS 31 1HB LYS 31 12.401 7.153 -6.917 242 2HB LYS 31 2HB LYS 31 11.426 8.564 -7.335 243 1HG LYS 31 1HG LYS 31 13.115 9.942 -6.787 244 2HG LYS 31 2HG LYS 31 13.199 9.241 -5.171 245 1HD LYS 31 1HD LYS 31 15.345 8.982 -6.367 246 2HD LYS 31 2HD LYS 31 14.611 7.413 -6.027 247 1HE LYS 31 1HE LYS 31 15.148 7.144 -8.285 248 2HE LYS 31 2HE LYS 31 13.511 7.817 -8.435 249 1HZ LYS 31 1HZ LYS 31 14.695 10.066 -8.272 250 2HZ LYS 31 2HZ LYS 31 16.104 9.212 -8.674 251 3HZ LYS 31 3HZ LYS 31 14.787 9.228 -9.749 252 H HIS 32 H HIS 32 8.732 8.341 -4.760 253 HA HIS 32 HA HIS 32 9.223 11.131 -3.818 254 1HB HIS 32 1HB HIS 32 8.308 10.442 -6.367 255 2HB HIS 32 2HB HIS 32 6.838 10.849 -5.483 256 HD1 HIS 32 HD1 HIS 32 6.296 13.229 -5.967 257 HD2 HIS 32 HD2 HIS 32 10.393 12.679 -5.415 258 HE1 HIS 32 HE1 HIS 32 7.353 15.527 -6.107 259 H ILE 33 H ILE 33 8.031 8.200 -3.062 260 HA ILE 33 HA ILE 33 5.680 9.319 -1.569 261 HB ILE 33 HB ILE 33 5.983 6.401 -2.197 262 1HG1 ILE 33 1HG1 ILE 33 6.502 7.620 -4.336 263 2HG1 ILE 33 2HG1 ILE 33 5.012 6.680 -4.415 264 1HG2 ILE 33 1HG2 ILE 33 3.963 8.215 -1.247 265 2HG2 ILE 33 2HG2 ILE 33 3.402 7.445 -2.731 266 3HG2 ILE 33 3HG2 ILE 33 3.901 6.456 -1.358 267 1HD1 ILE 33 1HD1 ILE 33 4.247 9.193 -3.415 268 2HD1 ILE 33 2HD1 ILE 33 5.380 9.538 -4.722 269 3HD1 ILE 33 3HD1 ILE 33 3.944 8.562 -5.033 270 H GLY 34 H GLY 34 8.664 7.524 -1.416 271 1HA GLY 34 1HA GLY 34 9.792 7.582 0.833 272 2HA GLY 34 2HA GLY 34 8.235 7.118 1.518 273 H GLY 35 H GLY 35 10.825 5.991 -0.621 274 1HA GLY 35 1HA GLY 35 9.790 3.228 -0.489 275 2HA GLY 35 2HA GLY 35 11.169 3.770 -1.441 276 H SER 36 H SER 36 10.164 3.303 1.942 277 HA SER 36 HA SER 36 13.029 2.754 2.630 278 1HB SER 36 1HB SER 36 11.676 3.052 4.991 279 2HB SER 36 2HB SER 36 12.436 4.384 4.123 280 HG SER 36 HG SER 36 10.372 5.017 4.369 281 H TYR 37 H TYR 37 9.687 1.620 3.162 282 HA TYR 37 HA TYR 37 10.591 -1.179 3.203 283 1HB TYR 37 1HB TYR 37 10.618 0.282 5.561 284 2HB TYR 37 2HB TYR 37 9.049 -0.521 5.618 285 HD1 TYR 37 HD1 TYR 37 9.873 -2.964 3.936 286 HD2 TYR 37 HD2 TYR 37 11.697 -1.003 7.295 287 HE1 TYR 37 HE1 TYR 37 10.986 -5.089 4.574 288 HE2 TYR 37 HE2 TYR 37 12.807 -3.127 7.934 289 HH TYR 37 HH TYR 37 12.929 -5.834 5.852 290 H GLY 38 H GLY 38 9.022 -2.033 1.864 291 1HA GLY 38 1HA GLY 38 6.193 -1.520 2.570 292 2HA GLY 38 2HA GLY 38 6.696 -1.121 0.930 293 H TYR 39 H TYR 39 5.043 -3.367 2.456 294 HA TYR 39 HA TYR 39 5.579 -5.418 0.434 295 1HB TYR 39 1HB TYR 39 6.281 -7.128 2.007 296 2HB TYR 39 2HB TYR 39 7.320 -5.725 2.245 297 HD1 TYR 39 HD1 TYR 39 6.284 -3.929 3.978 298 HD2 TYR 39 HD2 TYR 39 5.409 -8.133 3.901 299 HE1 TYR 39 HE1 TYR 39 5.596 -3.827 6.359 300 HE2 TYR 39 HE2 TYR 39 4.720 -8.033 6.281 301 HH TYR 39 HH TYR 39 3.853 -5.479 7.838 302 H CYS 40 H CYS 40 4.194 -7.537 1.706 303 HA CYS 40 HA CYS 40 1.484 -6.297 1.932 304 1HB CYS 40 1HB CYS 40 2.509 -8.333 0.373 305 2HB CYS 40 2HB CYS 40 1.711 -9.217 1.674 306 H TYR 41 H TYR 41 0.410 -6.375 3.842 307 HA TYR 41 HA TYR 41 1.276 -8.360 5.912 308 1HB TYR 41 1HB TYR 41 2.245 -6.100 6.297 309 2HB TYR 41 2HB TYR 41 0.618 -5.419 6.292 310 HD1 TYR 41 HD1 TYR 41 1.606 -8.702 7.719 311 HD2 TYR 41 HD2 TYR 41 0.479 -4.642 8.554 312 HE1 TYR 41 HE1 TYR 41 1.359 -9.265 10.120 313 HE2 TYR 41 HE2 TYR 41 0.235 -5.206 10.959 314 HH TYR 41 HH TYR 41 -0.004 -6.988 12.410 315 H GLY 42 H GLY 42 -0.513 -9.623 6.302 316 1HA GLY 42 1HA GLY 42 -2.748 -10.199 6.746 317 2HA GLY 42 2HA GLY 42 -3.020 -8.498 7.138 318 H PHE 43 H PHE 43 -1.973 -10.007 4.083 319 HA PHE 43 HA PHE 43 -2.877 -9.814 1.909 320 1HB PHE 43 1HB PHE 43 -5.304 -9.774 3.716 321 2HB PHE 43 2HB PHE 43 -5.434 -9.853 1.961 322 HD1 PHE 43 HD1 PHE 43 -3.922 -11.575 4.914 323 HD2 PHE 43 HD2 PHE 43 -5.169 -11.899 0.816 324 HE1 PHE 43 HE1 PHE 43 -3.536 -14.024 4.990 325 HE2 PHE 43 HE2 PHE 43 -4.787 -14.348 0.892 326 HZ PHE 43 HZ PHE 43 -3.970 -15.409 2.979 327 H GLY 44 H GLY 44 -1.770 -7.550 2.075 328 1HA GLY 44 1HA GLY 44 -3.374 -5.588 0.855 329 2HA GLY 44 2HA GLY 44 -3.380 -5.221 2.581 330 H CYS 45 H CYS 45 -2.160 -3.670 0.395 331 HA CYS 45 HA CYS 45 0.734 -4.024 0.572 332 1HB CYS 45 1HB CYS 45 -1.268 -2.310 -0.773 333 2HB CYS 45 2HB CYS 45 0.286 -1.533 -0.470 334 H TYR 46 H TYR 46 1.541 -3.666 2.655 335 HA TYR 46 HA TYR 46 0.757 -1.102 4.000 336 1HB TYR 46 1HB TYR 46 0.328 -3.503 4.965 337 2HB TYR 46 2HB TYR 46 2.053 -3.470 5.331 338 HD1 TYR 46 HD1 TYR 46 -0.637 -0.857 5.422 339 HD2 TYR 46 HD2 TYR 46 2.383 -3.004 7.596 340 HE1 TYR 46 HE1 TYR 46 -1.096 0.526 7.425 341 HE2 TYR 46 HE2 TYR 46 1.924 -1.616 9.600 342 HH TYR 46 HH TYR 46 -0.451 -0.185 10.337 343 H CYS 47 H CYS 47 2.378 0.417 4.052 344 HA CYS 47 HA CYS 47 5.212 -0.564 3.817 345 1HB CYS 47 1HB CYS 47 3.778 1.852 2.688 346 2HB CYS 47 2HB CYS 47 5.534 1.710 2.691 347 H GLU 48 H GLU 48 6.816 0.790 4.921 348 HA GLU 48 HA GLU 48 5.669 2.287 7.255 349 1HB GLU 48 1HB GLU 48 8.036 0.439 6.914 350 2HB GLU 48 2HB GLU 48 7.883 1.502 8.314 351 1HG GLU 48 1HG GLU 48 6.751 -0.280 9.193 352 2HG GLU 48 2HG GLU 48 5.403 0.406 8.286 353 H GLY 49 H GLY 49 6.020 3.827 5.058 354 1HA GLY 49 1HA GLY 49 8.128 5.660 5.867 355 2HA GLY 49 2HA GLY 49 8.479 4.869 4.329 356 H LEU 50 H LEU 50 5.208 5.561 5.356 357 HA LEU 50 HA LEU 50 4.878 7.326 2.988 358 1HB LEU 50 1HB LEU 50 2.731 6.341 4.869 359 2HB LEU 50 2HB LEU 50 2.591 6.726 3.155 360 HG LEU 50 HG LEU 50 4.214 4.420 4.271 361 1HD1 LEU 50 1HD1 LEU 50 1.396 4.649 3.261 362 2HD1 LEU 50 2HD1 LEU 50 2.302 3.167 2.952 363 3HD1 LEU 50 3HD1 LEU 50 2.024 3.702 4.610 364 1HD2 LEU 50 1HD2 LEU 50 4.038 5.729 1.679 365 2HD2 LEU 50 2HD2 LEU 50 5.155 4.475 2.219 366 3HD2 LEU 50 3HD2 LEU 50 3.578 4.030 1.568 367 HA PRO 51 HA PRO 51 5.319 10.815 5.828 368 1HB PRO 51 1HB PRO 51 4.033 12.336 3.683 369 2HB PRO 51 2HB PRO 51 5.674 12.483 4.322 370 1HG PRO 51 1HG PRO 51 4.929 11.357 1.835 371 2HG PRO 51 2HG PRO 51 6.529 11.305 2.581 372 1HD PRO 51 1HD PRO 51 4.672 9.119 2.194 373 2HD PRO 51 2HD PRO 51 6.299 9.062 2.916 374 H ASP 52 H ASP 52 3.780 12.045 7.062 375 HA ASP 52 HA ASP 52 1.220 10.870 7.483 376 1HB ASP 52 1HB ASP 52 2.824 12.481 8.858 377 2HB ASP 52 2HB ASP 52 1.803 13.734 8.153 378 H SER 53 H SER 53 2.114 13.879 5.765 379 HA SER 53 HA SER 53 -0.505 14.742 5.089 380 1HB SER 53 1HB SER 53 2.237 15.061 3.871 381 2HB SER 53 2HB SER 53 0.830 15.869 3.186 382 HG SER 53 HG SER 53 0.553 16.971 5.074 383 H THR 54 H THR 54 1.400 12.131 3.768 384 HA THR 54 HA THR 54 0.174 12.012 1.161 385 HB THR 54 HB THR 54 1.133 9.558 2.565 386 HG1 THR 54 HG1 THR 54 2.606 11.922 2.173 387 1HG2 THR 54 1HG2 THR 54 0.589 9.868 0.059 388 2HG2 THR 54 2HG2 THR 54 2.092 10.786 -0.016 389 3HG2 THR 54 3HG2 THR 54 2.118 9.091 0.467 390 H GLN 55 H GLN 55 -1.389 10.361 0.451 391 HA GLN 55 HA GLN 55 -3.574 10.006 2.414 392 1HB GLN 55 1HB GLN 55 -3.639 10.806 -0.080 393 2HB GLN 55 2HB GLN 55 -3.545 9.086 -0.455 394 1HG GLN 55 1HG GLN 55 -5.854 9.420 -0.347 395 2HG GLN 55 2HG GLN 55 -5.497 8.882 1.293 396 1HE2 GLN 55 2HE2 GLN 55 -6.817 10.120 2.644 397 2HE2 GLN 55 1HE2 GLN 55 -6.970 11.809 2.563 398 H THR 56 H THR 56 -4.634 7.818 2.558 399 HA THR 56 HA THR 56 -3.126 5.464 1.713 400 HB THR 56 HB THR 56 -1.803 6.463 3.603 401 HG1 THR 56 HG1 THR 56 -2.024 4.143 3.122 402 1HG2 THR 56 1HG2 THR 56 -4.381 6.744 4.723 403 2HG2 THR 56 2HG2 THR 56 -3.542 5.555 5.717 404 3HG2 THR 56 3HG2 THR 56 -2.840 7.154 5.474 405 H TRP 57 H TRP 57 -4.223 3.488 2.289 406 HA TRP 57 HA TRP 57 -7.113 3.702 2.472 407 1HB TRP 57 1HB TRP 57 -5.418 1.990 1.354 408 2HB TRP 57 2HB TRP 57 -5.532 1.190 2.917 409 HD1 TRP 57 HD1 TRP 57 -7.563 2.033 -0.182 410 HE1 TRP 57 HE1 TRP 57 -9.757 0.681 -0.137 411 HE3 TRP 57 HE3 TRP 57 -7.281 0.053 4.517 412 HZ2 TRP 57 HZ2 TRP 57 -11.202 -1.016 1.657 413 HZ3 TRP 57 HZ3 TRP 57 -9.078 -1.427 5.368 414 HH2 TRP 57 HH2 TRP 57 -11.036 -1.963 3.944 415 HA PRO 58 HA PRO 58 -8.745 2.623 3.024 416 1HB PRO 58 1HB PRO 58 -10.821 3.350 4.778 417 2HB PRO 58 2HB PRO 58 -10.366 1.704 4.325 418 1HG PRO 58 1HG PRO 58 -10.030 3.025 6.883 419 2HG PRO 58 2HG PRO 58 -9.725 1.336 6.467 420 1HD PRO 58 1HD PRO 58 -7.785 3.451 6.903 421 2HD PRO 58 2HD PRO 58 -7.478 1.731 6.557 422 H LEU 59 H LEU 59 -10.586 4.324 2.486 423 HA LEU 59 HA LEU 59 -9.341 7.011 2.585 424 1HB LEU 59 1HB LEU 59 -11.069 5.439 0.862 425 2HB LEU 59 2HB LEU 59 -11.780 7.023 1.168 426 HG LEU 59 HG LEU 59 -9.277 7.827 0.699 427 1HD1 LEU 59 1HD1 LEU 59 -8.582 5.388 0.403 428 2HD1 LEU 59 2HD1 LEU 59 -9.524 5.396 -1.088 429 3HD1 LEU 59 3HD1 LEU 59 -8.138 6.472 -0.916 430 1HD2 LEU 59 1HD2 LEU 59 -11.685 7.879 -0.659 431 2HD2 LEU 59 2HD2 LEU 59 -10.220 8.725 -1.162 432 3HD2 LEU 59 3HD2 LEU 59 -10.599 7.141 -1.836 433 HA PRO 60 HA PRO 60 -12.063 8.942 5.447 434 1HB PRO 60 1HB PRO 60 -13.382 10.708 3.575 435 2HB PRO 60 2HB PRO 60 -12.113 11.095 4.740 436 1HG PRO 60 1HG PRO 60 -11.870 10.917 1.895 437 2HG PRO 60 2HG PRO 60 -10.593 11.245 3.071 438 1HD PRO 60 1HD PRO 60 -10.979 8.851 1.510 439 2HD PRO 60 2HD PRO 60 -9.707 9.177 2.713 440 H ASN 61 H ASN 61 -14.641 9.878 5.277 441 HA ASN 61 HA ASN 61 -16.303 7.648 5.423 442 1HB ASN 61 1HB ASN 61 -16.516 10.535 5.229 443 2HB ASN 61 2HB ASN 61 -17.860 9.761 4.390 444 1HD2 ASN 61 2HD2 ASN 61 -18.138 7.423 6.014 445 2HD2 ASN 61 1HD2 ASN 61 -18.644 7.902 7.562 446 H LYS 62 H LYS 62 -15.127 9.317 2.598 447 HA LYS 62 HA LYS 62 -17.026 8.004 0.758 448 1HB LYS 62 1HB LYS 62 -14.549 9.719 0.363 449 2HB LYS 62 2HB LYS 62 -15.659 9.245 -0.923 450 1HG LYS 62 1HG LYS 62 -17.474 10.458 0.079 451 2HG LYS 62 2HG LYS 62 -16.549 10.739 1.554 452 1HD LYS 62 1HD LYS 62 -16.129 12.753 0.543 453 2HD LYS 62 2HD LYS 62 -14.850 11.825 -0.241 454 1HE LYS 62 1HE LYS 62 -16.242 11.434 -2.192 455 2HE LYS 62 2HE LYS 62 -17.640 12.180 -1.391 456 1HZ LYS 62 1HZ LYS 62 -15.192 13.745 -1.398 457 2HZ LYS 62 2HZ LYS 62 -15.930 13.549 -2.913 458 3HZ LYS 62 3HZ LYS 62 -16.802 14.242 -1.630 459 H THR 63 H THR 63 -16.499 5.752 1.176 460 HA THR 63 HA THR 63 -13.766 4.775 0.858 461 HB THR 63 HB THR 63 -16.215 3.059 0.727 462 HG1 THR 63 HG1 THR 63 -15.502 4.833 2.765 463 1HG2 THR 63 1HG2 THR 63 -13.451 2.751 1.313 464 2HG2 THR 63 2HG2 THR 63 -14.340 2.438 2.805 465 3HG2 THR 63 3HG2 THR 63 -14.707 1.514 1.348 466 H CYS 64 H CYS 64 -13.094 3.317 -0.853 467 HA CYS 64 HA CYS 64 -13.759 4.143 -3.512 468 1HB CYS 64 1HB CYS 64 -11.634 3.095 -2.645 469 2HB CYS 64 2HB CYS 64 -12.491 1.557 -2.556 Start of MODEL 12 1 1H LYS 1 1H LYS 1 7.180 7.466 6.872 2 2H LYS 1 2H LYS 1 6.972 8.983 7.608 3 3H LYS 1 3H LYS 1 7.663 7.705 8.482 4 HA LYS 1 HA LYS 1 5.620 7.314 9.285 5 1HB LYS 1 1HB LYS 1 4.984 9.558 8.613 6 2HB LYS 1 2HB LYS 1 4.781 9.043 6.937 7 1HG LYS 1 1HG LYS 1 3.000 7.445 7.721 8 2HG LYS 1 2HG LYS 1 3.122 8.180 9.321 9 1HD LYS 1 1HD LYS 1 1.374 9.397 8.345 10 2HD LYS 1 2HD LYS 1 2.771 10.429 8.039 11 1HE LYS 1 1HE LYS 1 2.947 8.995 5.812 12 2HE LYS 1 2HE LYS 1 1.217 8.737 6.109 13 1HZ LYS 1 1HZ LYS 1 1.844 11.421 6.670 14 2HZ LYS 1 2HZ LYS 1 2.460 11.051 5.134 15 3HZ LYS 1 3HZ LYS 1 0.812 10.812 5.466 16 H ASP 2 H ASP 2 4.550 5.383 9.087 17 HA ASP 2 HA ASP 2 4.655 3.984 6.471 18 1HB ASP 2 1HB ASP 2 3.714 2.973 9.166 19 2HB ASP 2 2HB ASP 2 4.328 2.024 7.812 20 H GLY 3 H GLY 3 2.802 3.411 5.336 21 1HA GLY 3 1HA GLY 3 0.160 3.991 6.581 22 2HA GLY 3 2HA GLY 3 0.543 4.705 5.013 23 H TYR 4 H TYR 4 -1.558 3.244 4.720 24 HA TYR 4 HA TYR 4 -0.664 0.505 3.884 25 1HB TYR 4 1HB TYR 4 -2.850 1.534 5.456 26 2HB TYR 4 2HB TYR 4 -3.493 0.723 4.027 27 HD1 TYR 4 HD1 TYR 4 -1.873 -1.477 3.437 28 HD2 TYR 4 HD2 TYR 4 -2.764 0.139 7.314 29 HE1 TYR 4 HE1 TYR 4 -1.394 -3.682 4.465 30 HE2 TYR 4 HE2 TYR 4 -2.286 -2.065 8.344 31 HH TYR 4 HH TYR 4 -2.385 -4.687 7.185 32 H LEU 5 H LEU 5 -0.747 0.114 1.706 33 HA LEU 5 HA LEU 5 -1.244 2.080 -0.250 34 1HB LEU 5 1HB LEU 5 -0.910 -0.851 -0.069 35 2HB LEU 5 2HB LEU 5 -1.714 -0.287 -1.535 36 HG LEU 5 HG LEU 5 0.734 1.172 -0.643 37 1HD1 LEU 5 1HD1 LEU 5 0.667 -1.612 -1.814 38 2HD1 LEU 5 2HD1 LEU 5 2.045 -0.539 -2.053 39 3HD1 LEU 5 3HD1 LEU 5 1.586 -1.034 -0.424 40 1HD2 LEU 5 1HD2 LEU 5 -0.429 0.326 -3.315 41 2HD2 LEU 5 2HD2 LEU 5 -0.522 1.935 -2.601 42 3HD2 LEU 5 3HD2 LEU 5 1.035 1.288 -3.119 43 H VAL 6 H VAL 6 -3.007 2.074 -1.902 44 HA VAL 6 HA VAL 6 -5.652 1.186 -0.797 45 HB VAL 6 HB VAL 6 -6.552 3.344 -1.595 46 1HG1 VAL 6 1HG1 VAL 6 -4.112 3.527 0.191 47 2HG1 VAL 6 2HG1 VAL 6 -5.282 4.832 -0.009 48 3HG1 VAL 6 3HG1 VAL 6 -5.787 3.296 0.695 49 1HG2 VAL 6 1HG2 VAL 6 -4.706 3.490 -3.410 50 2HG2 VAL 6 2HG2 VAL 6 -5.206 4.991 -2.631 51 3HG2 VAL 6 3HG2 VAL 6 -3.707 4.200 -2.141 52 H GLU 7 H GLU 7 -7.241 1.944 -2.895 53 HA GLU 7 HA GLU 7 -6.029 0.801 -5.370 54 1HB GLU 7 1HB GLU 7 -7.403 -0.739 -3.594 55 2HB GLU 7 2HB GLU 7 -8.727 -0.171 -4.613 56 1HG GLU 7 1HG GLU 7 -7.084 -0.816 -6.575 57 2HG GLU 7 2HG GLU 7 -6.363 -1.858 -5.348 58 H LYS 8 H LYS 8 -7.695 1.019 -7.233 59 HA LYS 8 HA LYS 8 -8.471 3.691 -7.632 60 1HB LYS 8 1HB LYS 8 -9.748 1.165 -8.737 61 2HB LYS 8 2HB LYS 8 -9.785 2.760 -9.490 62 1HG LYS 8 1HG LYS 8 -7.699 2.524 -10.339 63 2HG LYS 8 2HG LYS 8 -7.069 1.881 -8.823 64 1HD LYS 8 1HD LYS 8 -7.086 -0.191 -9.694 65 2HD LYS 8 2HD LYS 8 -8.829 -0.075 -9.931 66 1HE LYS 8 1HE LYS 8 -8.572 0.165 -12.172 67 2HE LYS 8 2HE LYS 8 -7.378 1.460 -11.950 68 1HZ LYS 8 1HZ LYS 8 -6.679 -1.341 -11.341 69 2HZ LYS 8 2HZ LYS 8 -6.593 -0.772 -12.939 70 3HZ LYS 8 3HZ LYS 8 -5.652 -0.044 -11.731 71 H THR 9 H THR 9 -10.151 1.115 -5.937 72 HA THR 9 HA THR 9 -12.651 2.701 -5.748 73 HB THR 9 HB THR 9 -13.502 0.617 -4.806 74 HG1 THR 9 HG1 THR 9 -11.724 0.069 -3.547 75 1HG2 THR 9 1HG2 THR 9 -13.076 0.813 -7.301 76 2HG2 THR 9 2HG2 THR 9 -11.590 -0.099 -7.037 77 3HG2 THR 9 3HG2 THR 9 -13.151 -0.838 -6.684 78 H GLY 10 H GLY 10 -9.723 2.346 -4.072 79 1HA GLY 10 1HA GLY 10 -9.155 3.597 -2.100 80 2HA GLY 10 2HA GLY 10 -10.869 3.698 -1.697 81 H CYS 11 H CYS 11 -9.775 0.595 -2.681 82 HA CYS 11 HA CYS 11 -10.089 -0.387 0.115 83 1HB CYS 11 1HB CYS 11 -10.356 -1.458 -2.664 84 2HB CYS 11 2HB CYS 11 -9.941 -2.601 -1.389 85 H LYS 12 H LYS 12 -8.524 -2.092 0.840 86 HA LYS 12 HA LYS 12 -5.761 -1.287 0.332 87 1HB LYS 12 1HB LYS 12 -6.879 -3.665 1.850 88 2HB LYS 12 2HB LYS 12 -5.311 -2.900 2.089 89 1HG LYS 12 1HG LYS 12 -6.269 -0.966 3.047 90 2HG LYS 12 2HG LYS 12 -7.875 -1.349 2.422 91 1HD LYS 12 1HD LYS 12 -7.983 -1.946 4.714 92 2HD LYS 12 2HD LYS 12 -7.734 -3.474 3.874 93 1HE LYS 12 1HE LYS 12 -5.148 -2.754 4.253 94 2HE LYS 12 2HE LYS 12 -5.888 -1.994 5.675 95 1HZ LYS 12 1HZ LYS 12 -6.868 -4.644 5.023 96 2HZ LYS 12 2HZ LYS 12 -5.254 -4.589 5.550 97 3HZ LYS 12 3HZ LYS 12 -6.488 -3.969 6.534 98 H LYS 13 H LYS 13 -4.273 -3.508 0.221 99 HA LYS 13 HA LYS 13 -5.273 -5.035 -2.161 100 1HB LYS 13 1HB LYS 13 -3.318 -3.211 -2.236 101 2HB LYS 13 2HB LYS 13 -2.360 -4.578 -1.663 102 1HG LYS 13 1HG LYS 13 -2.188 -4.947 -3.934 103 2HG LYS 13 2HG LYS 13 -3.679 -5.835 -3.619 104 1HD LYS 13 1HD LYS 13 -4.889 -3.604 -4.087 105 2HD LYS 13 2HD LYS 13 -3.360 -3.072 -4.787 106 1HE LYS 13 1HE LYS 13 -3.939 -5.697 -5.800 107 2HE LYS 13 2HE LYS 13 -5.365 -4.666 -6.035 108 1HZ LYS 13 1HZ LYS 13 -3.513 -2.926 -6.651 109 2HZ LYS 13 2HZ LYS 13 -2.641 -4.323 -7.056 110 3HZ LYS 13 3HZ LYS 13 -4.128 -4.003 -7.814 111 H THR 14 H THR 14 -5.885 -6.169 0.210 112 HA THR 14 HA THR 14 -4.227 -7.622 1.816 113 HB THR 14 HB THR 14 -6.723 -8.408 0.302 114 HG1 THR 14 HG1 THR 14 -7.559 -7.391 1.911 115 1HG2 THR 14 1HG2 THR 14 -4.911 -10.152 1.761 116 2HG2 THR 14 2HG2 THR 14 -6.502 -10.101 2.517 117 3HG2 THR 14 3HG2 THR 14 -6.346 -10.568 0.824 118 H CYS 15 H CYS 15 -2.819 -9.397 1.617 119 HA CYS 15 HA CYS 15 -2.431 -10.480 -1.156 120 1HB CYS 15 1HB CYS 15 -0.030 -10.406 -0.675 121 2HB CYS 15 2HB CYS 15 -0.733 -8.811 -0.404 122 H TYR 16 H TYR 16 -1.635 -12.667 -1.241 123 HA TYR 16 HA TYR 16 -2.377 -14.287 1.150 124 1HB TYR 16 1HB TYR 16 -1.787 -15.168 -1.690 125 2HB TYR 16 2HB TYR 16 -2.704 -16.043 -0.463 126 HD1 TYR 16 HD1 TYR 16 -4.715 -14.572 0.593 127 HD2 TYR 16 HD2 TYR 16 -3.017 -14.050 -3.318 128 HE1 TYR 16 HE1 TYR 16 -6.790 -13.435 -0.156 129 HE2 TYR 16 HE2 TYR 16 -5.093 -12.916 -4.069 130 HH TYR 16 HH TYR 16 -7.778 -12.318 -1.804 131 H LYS 17 H LYS 17 0.341 -12.909 -0.169 132 HA LYS 17 HA LYS 17 2.116 -15.149 0.755 133 1HB LYS 17 1HB LYS 17 2.057 -13.366 -1.606 134 2HB LYS 17 2HB LYS 17 3.650 -13.557 -0.872 135 1HG LYS 17 1HG LYS 17 3.730 -15.428 -2.179 136 2HG LYS 17 2HG LYS 17 2.804 -16.137 -0.855 137 1HD LYS 17 1HD LYS 17 1.372 -16.664 -2.574 138 2HD LYS 17 2HD LYS 17 0.776 -15.038 -2.237 139 1HE LYS 17 1HE LYS 17 1.152 -14.782 -4.504 140 2HE LYS 17 2HE LYS 17 2.801 -14.438 -3.948 141 1HZ LYS 17 1HZ LYS 17 2.761 -17.121 -3.934 142 2HZ LYS 17 2HZ LYS 17 1.757 -16.797 -5.265 143 3HZ LYS 17 3HZ LYS 17 3.343 -16.190 -5.226 144 H LEU 18 H LEU 18 2.217 -14.331 2.928 145 HA LEU 18 HA LEU 18 2.718 -11.602 3.639 146 1HB LEU 18 1HB LEU 18 3.207 -14.277 4.973 147 2HB LEU 18 2HB LEU 18 3.441 -12.739 5.803 148 HG LEU 18 HG LEU 18 0.869 -13.815 4.622 149 1HD1 LEU 18 1HD1 LEU 18 1.961 -13.320 7.373 150 2HD1 LEU 18 2HD1 LEU 18 0.224 -13.162 7.103 151 3HD1 LEU 18 3HD1 LEU 18 1.033 -14.693 6.769 152 1HD2 LEU 18 1HD2 LEU 18 1.729 -11.046 5.340 153 2HD2 LEU 18 2HD2 LEU 18 0.580 -11.580 4.112 154 3HD2 LEU 18 3HD2 LEU 18 0.102 -11.536 5.808 155 H GLY 19 H GLY 19 4.762 -10.775 4.603 156 1HA GLY 19 1HA GLY 19 7.154 -10.755 4.832 157 2HA GLY 19 2HA GLY 19 7.242 -12.149 3.762 158 H GLU 20 H GLU 20 8.951 -10.849 2.729 159 HA GLU 20 HA GLU 20 8.617 -8.362 1.443 160 1HB GLU 20 1HB GLU 20 10.511 -10.388 1.666 161 2HB GLU 20 2HB GLU 20 10.171 -10.331 -0.064 162 1HG GLU 20 1HG GLU 20 10.698 -7.817 1.521 163 2HG GLU 20 2HG GLU 20 12.014 -8.760 0.821 164 H ASN 21 H ASN 21 6.299 -8.571 0.640 165 HA ASN 21 HA ASN 21 5.678 -10.394 -1.533 166 1HB ASN 21 1HB ASN 21 4.188 -9.023 0.158 167 2HB ASN 21 2HB ASN 21 4.313 -7.756 -1.065 168 1HD2 ASN 21 2HD2 ASN 21 2.434 -10.402 -0.167 169 2HD2 ASN 21 1HD2 ASN 21 1.715 -10.732 -1.668 170 H ASP 22 H ASP 22 7.543 -10.011 -2.951 171 HA ASP 22 HA ASP 22 8.559 -7.686 -4.008 172 1HB ASP 22 1HB ASP 22 7.926 -10.400 -5.109 173 2HB ASP 22 2HB ASP 22 8.567 -9.172 -6.202 174 H PHE 23 H PHE 23 5.726 -9.377 -5.445 175 HA PHE 23 HA PHE 23 5.038 -7.661 -7.479 176 1HB PHE 23 1HB PHE 23 3.832 -9.699 -6.043 177 2HB PHE 23 2HB PHE 23 2.734 -8.338 -5.797 178 HD1 PHE 23 HD1 PHE 23 3.141 -6.820 -8.311 179 HD2 PHE 23 HD2 PHE 23 2.706 -11.041 -7.654 180 HE1 PHE 23 HE1 PHE 23 2.278 -7.087 -10.619 181 HE2 PHE 23 HE2 PHE 23 1.843 -11.310 -9.965 182 HZ PHE 23 HZ PHE 23 1.629 -9.332 -11.447 183 H CYS 24 H CYS 24 3.626 -7.214 -4.191 184 HA CYS 24 HA CYS 24 2.693 -4.562 -4.778 185 1HB CYS 24 1HB CYS 24 2.161 -6.350 -2.885 186 2HB CYS 24 2HB CYS 24 3.383 -5.433 -1.998 187 H ASN 25 H ASN 25 5.753 -5.794 -3.496 188 HA ASN 25 HA ASN 25 6.943 -3.571 -2.331 189 1HB ASN 25 1HB ASN 25 7.778 -5.986 -3.070 190 2HB ASN 25 2HB ASN 25 8.432 -5.094 -4.444 191 1HD2 ASN 25 2HD2 ASN 25 9.300 -6.181 -1.428 192 2HD2 ASN 25 1HD2 ASN 25 10.476 -5.021 -1.037 193 H ARG 26 H ARG 26 7.400 -4.303 -5.802 194 HA ARG 26 HA ARG 26 8.249 -1.654 -6.495 195 1HB ARG 26 1HB ARG 26 8.161 -4.153 -7.638 196 2HB ARG 26 2HB ARG 26 6.935 -3.292 -8.570 197 1HG ARG 26 1HG ARG 26 8.794 -2.679 -9.787 198 2HG ARG 26 2HG ARG 26 8.823 -1.399 -8.577 199 1HD ARG 26 1HD ARG 26 10.727 -2.196 -7.620 200 2HD ARG 26 2HD ARG 26 10.179 -3.878 -7.715 201 HE ARG 26 HE ARG 26 11.938 -2.569 -9.574 202 1HH1 ARG 26 1HH1 ARG 26 9.142 -4.609 -9.531 203 2HH1 ARG 26 2HH1 ARG 26 9.359 -5.138 -11.164 204 1HH2 ARG 26 1HH2 ARG 26 12.232 -3.274 -11.681 205 2HH2 ARG 26 2HH2 ARG 26 11.113 -4.401 -12.372 206 H GLU 27 H GLU 27 5.070 -3.276 -6.688 207 HA GLU 27 HA GLU 27 3.546 -1.380 -8.061 208 1HB GLU 27 1HB GLU 27 2.860 -3.610 -7.106 209 2HB GLU 27 2HB GLU 27 2.769 -2.844 -5.520 210 1HG GLU 27 1HG GLU 27 1.253 -1.104 -6.879 211 2HG GLU 27 2HG GLU 27 0.974 -2.529 -7.882 212 H CYS 28 H CYS 28 4.524 -1.327 -4.626 213 HA CYS 28 HA CYS 28 3.088 1.115 -3.992 214 1HB CYS 28 1HB CYS 28 3.866 -0.734 -2.426 215 2HB CYS 28 2HB CYS 28 5.502 -0.103 -2.617 216 H LYS 29 H LYS 29 6.443 0.355 -4.920 217 HA LYS 29 HA LYS 29 7.722 2.804 -4.514 218 1HB LYS 29 1HB LYS 29 7.875 0.613 -6.561 219 2HB LYS 29 2HB LYS 29 8.889 2.042 -6.767 220 1HG LYS 29 1HG LYS 29 9.160 1.393 -4.063 221 2HG LYS 29 2HG LYS 29 9.181 -0.166 -4.888 222 1HD LYS 29 1HD LYS 29 11.399 0.338 -5.155 223 2HD LYS 29 2HD LYS 29 10.792 1.241 -6.543 224 1HE LYS 29 1HE LYS 29 10.598 2.793 -4.069 225 2HE LYS 29 2HE LYS 29 12.268 2.325 -4.445 226 1HZ LYS 29 1HZ LYS 29 10.393 3.414 -6.470 227 2HZ LYS 29 2HZ LYS 29 11.467 4.393 -5.591 228 3HZ LYS 29 3HZ LYS 29 12.071 3.190 -6.623 229 H TRP 30 H TRP 30 6.995 2.097 -7.888 230 HA TRP 30 HA TRP 30 6.172 3.499 -9.603 231 1HB TRP 30 1HB TRP 30 4.433 3.663 -7.243 232 2HB TRP 30 2HB TRP 30 4.291 5.067 -8.303 233 HD1 TRP 30 HD1 TRP 30 2.402 2.231 -7.863 234 HE1 TRP 30 HE1 TRP 30 1.502 1.189 -10.046 235 HE3 TRP 30 HE3 TRP 30 5.526 4.438 -11.248 236 HZ2 TRP 30 HZ2 TRP 30 2.042 1.276 -12.853 237 HZ3 TRP 30 HZ3 TRP 30 5.312 3.939 -13.666 238 HH2 TRP 30 HH2 TRP 30 3.576 2.363 -14.472 239 H LYS 31 H LYS 31 7.699 4.986 -10.248 240 HA LYS 31 HA LYS 31 9.078 6.881 -8.734 241 1HB LYS 31 1HB LYS 31 8.256 6.555 -11.583 242 2HB LYS 31 2HB LYS 31 8.932 8.116 -11.114 243 1HG LYS 31 1HG LYS 31 10.346 5.654 -10.185 244 2HG LYS 31 2HG LYS 31 10.507 6.105 -11.884 245 1HD LYS 31 1HD LYS 31 10.799 8.345 -9.981 246 2HD LYS 31 2HD LYS 31 12.065 7.121 -9.880 247 1HE LYS 31 1HE LYS 31 12.027 7.343 -12.535 248 2HE LYS 31 2HE LYS 31 11.383 8.951 -12.152 249 1HZ LYS 31 1HZ LYS 31 13.389 8.521 -10.321 250 2HZ LYS 31 2HZ LYS 31 14.029 7.948 -11.785 251 3HZ LYS 31 3HZ LYS 31 13.462 9.543 -11.678 252 H HIS 32 H HIS 32 8.819 9.265 -8.683 253 HA HIS 32 HA HIS 32 7.584 11.242 -8.312 254 1HB HIS 32 1HB HIS 32 6.320 9.769 -10.417 255 2HB HIS 32 2HB HIS 32 5.062 10.494 -9.415 256 HD1 HIS 32 HD1 HIS 32 5.015 13.095 -9.239 257 HD2 HIS 32 HD2 HIS 32 7.946 11.631 -11.815 258 HE1 HIS 32 HE1 HIS 32 5.857 15.081 -10.567 259 H ILE 33 H ILE 33 7.494 8.927 -6.406 260 HA ILE 33 HA ILE 33 5.002 9.749 -4.967 261 HB ILE 33 HB ILE 33 6.023 6.979 -5.630 262 1HG1 ILE 33 1HG1 ILE 33 3.441 8.508 -6.026 263 2HG1 ILE 33 2HG1 ILE 33 4.490 7.813 -7.262 264 1HG2 ILE 33 1HG2 ILE 33 4.926 7.810 -3.137 265 2HG2 ILE 33 2HG2 ILE 33 3.664 6.918 -3.981 266 3HG2 ILE 33 3HG2 ILE 33 5.229 6.162 -3.685 267 1HD1 ILE 33 1HD1 ILE 33 3.860 5.635 -5.657 268 2HD1 ILE 33 2HD1 ILE 33 2.353 6.549 -5.715 269 3HD1 ILE 33 3HD1 ILE 33 3.118 6.014 -7.212 270 H GLY 34 H GLY 34 8.103 7.971 -4.713 271 1HA GLY 34 1HA GLY 34 9.811 8.530 -3.101 272 2HA GLY 34 2HA GLY 34 8.593 9.366 -2.142 273 H GLY 35 H GLY 35 9.040 6.061 -3.411 274 1HA GLY 35 1HA GLY 35 8.032 5.030 -0.804 275 2HA GLY 35 2HA GLY 35 8.098 4.104 -2.304 276 H SER 36 H SER 36 9.490 4.188 0.619 277 HA SER 36 HA SER 36 12.296 3.801 -0.273 278 1HB SER 36 1HB SER 36 12.768 4.429 1.864 279 2HB SER 36 2HB SER 36 11.082 4.933 1.925 280 HG SER 36 HG SER 36 12.341 2.898 3.203 281 H TYR 37 H TYR 37 9.937 2.005 1.751 282 HA TYR 37 HA TYR 37 10.791 -0.542 0.490 283 1HB TYR 37 1HB TYR 37 11.986 0.442 2.808 284 2HB TYR 37 2HB TYR 37 10.776 -0.688 3.416 285 HD1 TYR 37 HD1 TYR 37 10.628 -2.829 1.547 286 HD2 TYR 37 HD2 TYR 37 14.081 -0.562 2.720 287 HE1 TYR 37 HE1 TYR 37 12.090 -4.733 0.920 288 HE2 TYR 37 HE2 TYR 37 15.545 -2.463 2.096 289 HH TYR 37 HH TYR 37 15.290 -4.497 0.396 290 H GLY 38 H GLY 38 8.888 -1.632 0.117 291 1HA GLY 38 1HA GLY 38 6.736 -1.386 2.166 292 2HA GLY 38 2HA GLY 38 6.355 -1.148 0.463 293 H TYR 39 H TYR 39 5.412 -3.211 2.374 294 HA TYR 39 HA TYR 39 5.635 -5.506 0.584 295 1HB TYR 39 1HB TYR 39 6.544 -6.918 2.590 296 2HB TYR 39 2HB TYR 39 7.687 -5.944 1.668 297 HD1 TYR 39 HD1 TYR 39 5.374 -5.640 4.611 298 HD2 TYR 39 HD2 TYR 39 9.115 -4.523 2.822 299 HE1 TYR 39 HE1 TYR 39 5.983 -4.388 6.665 300 HE2 TYR 39 HE2 TYR 39 9.727 -3.273 4.877 301 HH TYR 39 HH TYR 39 8.822 -2.336 6.794 302 H CYS 40 H CYS 40 4.773 -7.470 2.447 303 HA CYS 40 HA CYS 40 2.118 -6.313 3.190 304 1HB CYS 40 1HB CYS 40 2.952 -8.523 1.675 305 2HB CYS 40 2HB CYS 40 2.320 -9.205 3.175 306 H TYR 41 H TYR 41 1.430 -6.401 5.284 307 HA TYR 41 HA TYR 41 2.853 -8.152 7.236 308 1HB TYR 41 1HB TYR 41 3.861 -5.823 7.119 309 2HB TYR 41 2HB TYR 41 2.302 -5.198 7.660 310 HD1 TYR 41 HD1 TYR 41 1.333 -6.099 9.850 311 HD2 TYR 41 HD2 TYR 41 5.424 -6.679 8.679 312 HE1 TYR 41 HE1 TYR 41 1.931 -6.616 12.199 313 HE2 TYR 41 HE2 TYR 41 6.024 -7.197 11.030 314 HH TYR 41 HH TYR 41 5.219 -6.877 13.247 315 H GLY 42 H GLY 42 0.968 -9.406 7.552 316 1HA GLY 42 1HA GLY 42 -0.971 -9.752 8.960 317 2HA GLY 42 2HA GLY 42 -1.266 -8.009 8.930 318 H PHE 43 H PHE 43 -0.463 -9.796 6.049 319 HA PHE 43 HA PHE 43 -1.686 -10.260 4.096 320 1HB PHE 43 1HB PHE 43 -4.004 -10.113 6.054 321 2HB PHE 43 2HB PHE 43 -4.047 -10.855 4.455 322 HD1 PHE 43 HD1 PHE 43 -2.665 -12.869 3.960 323 HD2 PHE 43 HD2 PHE 43 -2.968 -11.229 7.919 324 HE1 PHE 43 HE1 PHE 43 -1.764 -14.978 4.902 325 HE2 PHE 43 HE2 PHE 43 -2.063 -13.337 8.861 326 HZ PHE 43 HZ PHE 43 -1.462 -15.213 7.353 327 H GLY 44 H GLY 44 -0.880 -7.766 4.102 328 1HA GLY 44 1HA GLY 44 -2.899 -6.318 2.647 329 2HA GLY 44 2HA GLY 44 -2.661 -5.607 4.246 330 H CYS 45 H CYS 45 -1.916 -4.567 1.514 331 HA CYS 45 HA CYS 45 0.997 -4.689 1.373 332 1HB CYS 45 1HB CYS 45 -1.278 -3.359 -0.039 333 2HB CYS 45 2HB CYS 45 0.342 -2.702 -0.278 334 H TYR 46 H TYR 46 2.086 -3.711 3.057 335 HA TYR 46 HA TYR 46 1.182 -1.003 3.952 336 1HB TYR 46 1HB TYR 46 1.544 -3.181 5.421 337 2HB TYR 46 2HB TYR 46 3.237 -2.696 5.334 338 HD1 TYR 46 HD1 TYR 46 -0.142 -1.183 5.951 339 HD2 TYR 46 HD2 TYR 46 4.034 -1.213 6.951 340 HE1 TYR 46 HE1 TYR 46 -0.548 0.530 7.697 341 HE2 TYR 46 HE2 TYR 46 3.629 0.501 8.697 342 HH TYR 46 HH TYR 46 2.129 1.995 9.487 343 H CYS 47 H CYS 47 2.687 0.726 3.862 344 HA CYS 47 HA CYS 47 5.369 0.110 2.668 345 1HB CYS 47 1HB CYS 47 3.251 2.109 1.851 346 2HB CYS 47 2HB CYS 47 4.929 2.266 1.336 347 H GLU 48 H GLU 48 7.042 1.313 3.539 348 HA GLU 48 HA GLU 48 6.317 3.301 5.665 349 1HB GLU 48 1HB GLU 48 8.789 1.571 5.318 350 2HB GLU 48 2HB GLU 48 8.411 2.575 6.719 351 1HG GLU 48 1HG GLU 48 6.127 1.075 6.496 352 2HG GLU 48 2HG GLU 48 7.355 -0.076 5.968 353 H GLY 49 H GLY 49 6.952 5.386 5.260 354 1HA GLY 49 1HA GLY 49 8.905 6.851 4.648 355 2HA GLY 49 2HA GLY 49 9.113 5.817 3.234 356 H LEU 50 H LEU 50 5.844 6.338 4.044 357 HA LEU 50 HA LEU 50 5.361 7.816 1.582 358 1HB LEU 50 1HB LEU 50 3.512 7.274 3.919 359 2HB LEU 50 2HB LEU 50 3.053 7.549 2.239 360 HG LEU 50 HG LEU 50 4.507 5.163 3.395 361 1HD1 LEU 50 1HD1 LEU 50 1.876 5.520 3.212 362 2HD1 LEU 50 2HD1 LEU 50 2.164 5.057 1.535 363 3HD1 LEU 50 3HD1 LEU 50 2.606 3.958 2.841 364 1HD2 LEU 50 1HD2 LEU 50 4.293 6.159 0.558 365 2HD2 LEU 50 2HD2 LEU 50 5.709 5.539 1.403 366 3HD2 LEU 50 3HD2 LEU 50 4.434 4.434 0.893 367 HA PRO 51 HA PRO 51 6.164 11.744 3.678 368 1HB PRO 51 1HB PRO 51 5.373 13.104 1.290 369 2HB PRO 51 2HB PRO 51 7.017 12.807 1.865 370 1HG PRO 51 1HG PRO 51 5.663 11.582 -0.365 371 2HG PRO 51 2HG PRO 51 7.328 11.336 0.172 372 1HD PRO 51 1HD PRO 51 5.111 9.511 0.413 373 2HD PRO 51 2HD PRO 51 6.782 9.277 0.982 374 H ASP 52 H ASP 52 4.759 13.522 4.344 375 HA ASP 52 HA ASP 52 2.055 12.885 4.866 376 1HB ASP 52 1HB ASP 52 3.872 15.204 4.973 377 2HB ASP 52 2HB ASP 52 2.167 15.638 4.841 378 H SER 53 H SER 53 3.547 14.504 2.105 379 HA SER 53 HA SER 53 1.193 15.575 0.890 380 1HB SER 53 1HB SER 53 3.356 16.285 0.179 381 2HB SER 53 2HB SER 53 3.889 14.629 -0.100 382 HG SER 53 HG SER 53 2.163 16.255 -1.607 383 H THR 54 H THR 54 2.322 12.300 1.171 384 HA THR 54 HA THR 54 0.646 11.392 -1.110 385 HB THR 54 HB THR 54 2.616 10.072 0.775 386 HG1 THR 54 HG1 THR 54 3.561 9.753 -1.441 387 1HG2 THR 54 1HG2 THR 54 0.674 8.588 0.074 388 2HG2 THR 54 2HG2 THR 54 1.237 8.784 -1.586 389 3HG2 THR 54 3HG2 THR 54 2.276 8.012 -0.388 390 H GLN 55 H GLN 55 -1.365 10.542 -0.785 391 HA GLN 55 HA GLN 55 -2.319 10.170 2.019 392 1HB GLN 55 1HB GLN 55 -3.337 11.347 -0.336 393 2HB GLN 55 2HB GLN 55 -4.301 9.894 -0.078 394 1HG GLN 55 1HG GLN 55 -3.733 11.871 2.139 395 2HG GLN 55 2HG GLN 55 -5.140 12.014 1.084 396 1HE2 GLN 55 1HE2 GLN 55 -6.893 10.517 1.395 397 2HE2 GLN 55 2HE2 GLN 55 -6.912 9.378 2.654 398 H THR 56 H THR 56 -2.881 8.121 2.756 399 HA THR 56 HA THR 56 -2.930 5.911 0.731 400 HB THR 56 HB THR 56 -1.968 4.870 3.155 401 HG1 THR 56 HG1 THR 56 -0.290 6.999 2.593 402 1HG2 THR 56 1HG2 THR 56 -0.602 5.751 0.602 403 2HG2 THR 56 2HG2 THR 56 0.206 4.804 1.853 404 3HG2 THR 56 3HG2 THR 56 -1.188 4.136 1.003 405 H TRP 57 H TRP 57 -3.680 3.815 2.171 406 HA TRP 57 HA TRP 57 -6.472 4.236 2.757 407 1HB TRP 57 1HB TRP 57 -4.945 2.200 1.944 408 2HB TRP 57 2HB TRP 57 -4.906 1.853 3.669 409 HD1 TRP 57 HD1 TRP 57 -7.329 2.137 0.722 410 HE1 TRP 57 HE1 TRP 57 -9.521 0.925 1.337 411 HE3 TRP 57 HE3 TRP 57 -6.389 1.040 5.621 412 HZ2 TRP 57 HZ2 TRP 57 -10.718 -0.339 3.606 413 HZ3 TRP 57 HZ3 TRP 57 -8.071 -0.165 6.984 414 HH2 TRP 57 HH2 TRP 57 -10.232 -0.855 5.985 415 HA PRO 58 HA PRO 58 -7.979 3.398 3.767 416 1HB PRO 58 1HB PRO 58 -9.844 4.290 5.639 417 2HB PRO 58 2HB PRO 58 -9.261 2.629 5.487 418 1HG PRO 58 1HG PRO 58 -8.744 4.542 7.614 419 2HG PRO 58 2HG PRO 58 -8.329 2.826 7.548 420 1HD PRO 58 1HD PRO 58 -6.575 5.117 7.176 421 2HD PRO 58 2HD PRO 58 -6.141 3.388 7.221 422 H LEU 59 H LEU 59 -9.875 4.820 3.029 423 HA LEU 59 HA LEU 59 -8.944 7.505 2.400 424 1HB LEU 59 1HB LEU 59 -10.990 5.597 1.634 425 2HB LEU 59 2HB LEU 59 -11.688 7.208 1.810 426 HG LEU 59 HG LEU 59 -9.884 8.115 0.352 427 1HD1 LEU 59 1HD1 LEU 59 -9.167 5.182 0.092 428 2HD1 LEU 59 2HD1 LEU 59 -8.528 6.462 -0.941 429 3HD1 LEU 59 3HD1 LEU 59 -8.158 6.453 0.783 430 1HD2 LEU 59 1HD2 LEU 59 -12.176 6.965 -0.411 431 2HD2 LEU 59 2HD2 LEU 59 -11.014 7.576 -1.589 432 3HD2 LEU 59 3HD2 LEU 59 -11.060 5.855 -1.209 433 HA PRO 60 HA PRO 60 -10.855 10.123 5.384 434 1HB PRO 60 1HB PRO 60 -13.007 11.088 3.680 435 2HB PRO 60 2HB PRO 60 -11.572 11.947 4.246 436 1HG PRO 60 1HG PRO 60 -12.067 11.004 1.615 437 2HG PRO 60 2HG PRO 60 -10.566 11.701 2.230 438 1HD PRO 60 1HD PRO 60 -11.077 8.954 1.491 439 2HD PRO 60 2HD PRO 60 -9.556 9.663 2.084 440 H ASN 61 H ASN 61 -13.516 10.854 5.778 441 HA ASN 61 HA ASN 61 -14.665 8.811 7.279 442 1HB ASN 61 1HB ASN 61 -16.807 10.112 6.827 443 2HB ASN 61 2HB ASN 61 -15.443 11.096 7.360 444 1HD2 ASN 61 2HD2 ASN 61 -15.571 13.031 6.193 445 2HD2 ASN 61 1HD2 ASN 61 -15.807 13.134 4.515 446 H LYS 62 H LYS 62 -14.750 9.294 3.818 447 HA LYS 62 HA LYS 62 -16.825 7.241 3.370 448 1HB LYS 62 1HB LYS 62 -16.455 9.412 2.069 449 2HB LYS 62 2HB LYS 62 -15.018 8.652 1.384 450 1HG LYS 62 1HG LYS 62 -17.101 6.757 1.134 451 2HG LYS 62 2HG LYS 62 -17.782 8.304 0.629 452 1HD LYS 62 1HD LYS 62 -15.107 7.308 -0.368 453 2HD LYS 62 2HD LYS 62 -16.621 6.954 -1.201 454 1HE LYS 62 1HE LYS 62 -16.836 9.670 -0.805 455 2HE LYS 62 2HE LYS 62 -15.096 9.475 -1.096 456 1HZ LYS 62 1HZ LYS 62 -16.092 7.782 -2.887 457 2HZ LYS 62 2HZ LYS 62 -17.337 8.936 -2.869 458 3HZ LYS 62 3HZ LYS 62 -15.751 9.407 -3.241 459 H THR 63 H THR 63 -15.358 5.589 4.554 460 HA THR 63 HA THR 63 -12.884 4.698 3.425 461 HB THR 63 HB THR 63 -14.837 2.877 4.794 462 HG1 THR 63 HG1 THR 63 -15.144 4.323 6.259 463 1HG2 THR 63 1HG2 THR 63 -11.895 3.318 4.657 464 2HG2 THR 63 2HG2 THR 63 -12.547 2.723 6.183 465 3HG2 THR 63 3HG2 THR 63 -12.803 1.806 4.697 466 H CYS 64 H CYS 64 -12.702 2.404 2.421 467 HA CYS 64 HA CYS 64 -14.097 2.322 -0.076 468 1HB CYS 64 1HB CYS 64 -11.830 1.320 0.809 469 2HB CYS 64 2HB CYS 64 -12.828 -0.072 1.224 Start of MODEL 13 1 1H LYS 1 1H LYS 1 5.618 6.677 8.917 2 2H LYS 1 2H LYS 1 5.018 8.094 8.203 3 3H LYS 1 3H LYS 1 5.340 8.054 9.871 4 HA LYS 1 HA LYS 1 3.463 6.845 10.367 5 1HB LYS 1 1HB LYS 1 2.764 8.996 9.608 6 2HB LYS 1 2HB LYS 1 3.057 8.577 7.919 7 1HG LYS 1 1HG LYS 1 1.196 7.035 7.906 8 2HG LYS 1 2HG LYS 1 0.971 7.216 9.645 9 1HD LYS 1 1HD LYS 1 0.001 9.304 9.444 10 2HD LYS 1 2HD LYS 1 0.884 9.687 7.966 11 1HE LYS 1 1HE LYS 1 -0.654 8.612 6.605 12 2HE LYS 1 2HE LYS 1 -1.095 7.438 7.861 13 1HZ LYS 1 1HZ LYS 1 -2.084 9.291 9.126 14 2HZ LYS 1 2HZ LYS 1 -1.778 10.331 7.819 15 3HZ LYS 1 3HZ LYS 1 -2.862 9.034 7.640 16 H ASP 2 H ASP 2 3.328 4.629 10.103 17 HA ASP 2 HA ASP 2 3.611 3.277 7.563 18 1HB ASP 2 1HB ASP 2 2.304 2.324 10.131 19 2HB ASP 2 2HB ASP 2 3.059 1.323 8.891 20 H GLY 3 H GLY 3 1.976 2.565 6.147 21 1HA GLY 3 1HA GLY 3 -0.842 2.797 6.947 22 2HA GLY 3 2HA GLY 3 -0.338 3.928 5.694 23 H TYR 4 H TYR 4 -2.062 2.632 4.531 24 HA TYR 4 HA TYR 4 -0.812 0.276 3.156 25 1HB TYR 4 1HB TYR 4 -3.299 0.604 4.684 26 2HB TYR 4 2HB TYR 4 -3.565 -0.089 3.085 27 HD1 TYR 4 HD1 TYR 4 -1.296 -1.733 2.525 28 HD2 TYR 4 HD2 TYR 4 -3.249 -1.069 6.294 29 HE1 TYR 4 HE1 TYR 4 -0.472 -3.927 3.342 30 HE2 TYR 4 HE2 TYR 4 -2.424 -3.258 7.109 31 HH TYR 4 HH TYR 4 -1.399 -5.638 5.257 32 H LEU 5 H LEU 5 -0.363 1.231 1.137 33 HA LEU 5 HA LEU 5 -1.693 3.366 -0.109 34 1HB LEU 5 1HB LEU 5 0.107 1.172 -0.804 35 2HB LEU 5 2HB LEU 5 -0.922 1.641 -2.159 36 HG LEU 5 HG LEU 5 -0.011 4.016 -0.832 37 1HD1 LEU 5 1HD1 LEU 5 1.835 2.349 -0.143 38 2HD1 LEU 5 2HD1 LEU 5 2.275 2.327 -1.853 39 3HD1 LEU 5 3HD1 LEU 5 2.349 3.837 -0.942 40 1HD2 LEU 5 1HD2 LEU 5 -0.742 3.661 -3.232 41 2HD2 LEU 5 2HD2 LEU 5 0.752 4.580 -3.048 42 3HD2 LEU 5 3HD2 LEU 5 0.815 2.881 -3.518 43 H VAL 6 H VAL 6 -3.509 3.510 -1.474 44 HA VAL 6 HA VAL 6 -5.417 1.226 -1.324 45 HB VAL 6 HB VAL 6 -7.049 2.968 -1.968 46 1HG1 VAL 6 1HG1 VAL 6 -6.148 2.682 0.432 47 2HG1 VAL 6 2HG1 VAL 6 -5.234 4.159 0.128 48 3HG1 VAL 6 3HG1 VAL 6 -6.997 4.183 0.060 49 1HG2 VAL 6 1HG2 VAL 6 -4.822 4.187 -3.116 50 2HG2 VAL 6 2HG2 VAL 6 -6.428 4.898 -2.966 51 3HG2 VAL 6 3HG2 VAL 6 -5.204 5.220 -1.738 52 H GLU 7 H GLU 7 -6.932 1.353 -3.455 53 HA GLU 7 HA GLU 7 -5.089 0.938 -5.771 54 1HB GLU 7 1HB GLU 7 -7.290 -0.466 -4.599 55 2HB GLU 7 2HB GLU 7 -7.780 0.047 -6.214 56 1HG GLU 7 1HG GLU 7 -5.538 -0.870 -7.032 57 2HG GLU 7 2HG GLU 7 -5.386 -1.633 -5.450 58 H LYS 8 H LYS 8 -5.901 1.715 -7.909 59 HA LYS 8 HA LYS 8 -6.599 4.419 -8.027 60 1HB LYS 8 1HB LYS 8 -6.013 2.415 -9.782 61 2HB LYS 8 2HB LYS 8 -7.722 2.669 -10.141 62 1HG LYS 8 1HG LYS 8 -6.503 4.162 -11.570 63 2HG LYS 8 2HG LYS 8 -7.202 5.154 -10.289 64 1HD LYS 8 1HD LYS 8 -5.060 5.053 -9.053 65 2HD LYS 8 2HD LYS 8 -4.361 4.095 -10.358 66 1HE LYS 8 1HE LYS 8 -3.954 5.954 -11.591 67 2HE LYS 8 2HE LYS 8 -5.621 6.525 -11.378 68 1HZ LYS 8 1HZ LYS 8 -5.055 7.247 -9.143 69 2HZ LYS 8 2HZ LYS 8 -3.453 6.718 -9.353 70 3HZ LYS 8 3HZ LYS 8 -4.046 8.008 -10.279 71 H THR 9 H THR 9 -8.719 1.629 -7.621 72 HA THR 9 HA THR 9 -11.166 3.251 -7.974 73 HB THR 9 HB THR 9 -12.173 0.966 -7.395 74 HG1 THR 9 HG1 THR 9 -9.670 -0.117 -7.898 75 1HG2 THR 9 1HG2 THR 9 -11.196 1.967 -9.743 76 2HG2 THR 9 2HG2 THR 9 -10.319 0.442 -9.626 77 3HG2 THR 9 3HG2 THR 9 -12.082 0.449 -9.605 78 H GLY 10 H GLY 10 -8.989 3.130 -5.580 79 1HA GLY 10 1HA GLY 10 -9.211 3.922 -3.355 80 2HA GLY 10 2HA GLY 10 -10.964 3.827 -3.527 81 H CYS 11 H CYS 11 -9.615 0.954 -4.602 82 HA CYS 11 HA CYS 11 -10.510 -0.461 -2.165 83 1HB CYS 11 1HB CYS 11 -9.318 -1.581 -4.717 84 2HB CYS 11 2HB CYS 11 -10.397 -2.395 -3.585 85 H LYS 12 H LYS 12 -8.923 -2.516 -1.739 86 HA LYS 12 HA LYS 12 -6.276 -1.307 -1.118 87 1HB LYS 12 1HB LYS 12 -6.165 -3.250 0.445 88 2HB LYS 12 2HB LYS 12 -7.583 -2.246 0.715 89 1HG LYS 12 1HG LYS 12 -8.314 -4.167 -1.238 90 2HG LYS 12 2HG LYS 12 -7.459 -5.039 0.032 91 1HD LYS 12 1HD LYS 12 -9.124 -4.721 1.531 92 2HD LYS 12 2HD LYS 12 -9.327 -3.030 1.072 93 1HE LYS 12 1HE LYS 12 -10.539 -3.819 -1.006 94 2HE LYS 12 2HE LYS 12 -10.497 -5.458 -0.327 95 1HZ LYS 12 1HZ LYS 12 -11.328 -3.344 1.485 96 2HZ LYS 12 2HZ LYS 12 -12.421 -3.706 0.236 97 3HZ LYS 12 3HZ LYS 12 -11.927 -4.922 1.316 98 H LYS 13 H LYS 13 -4.658 -3.431 -0.927 99 HA LYS 13 HA LYS 13 -4.801 -4.948 -3.498 100 1HB LYS 13 1HB LYS 13 -3.344 -2.643 -3.189 101 2HB LYS 13 2HB LYS 13 -2.154 -3.867 -2.743 102 1HG LYS 13 1HG LYS 13 -3.832 -4.212 -5.217 103 2HG LYS 13 2HG LYS 13 -2.379 -3.212 -5.258 104 1HD LYS 13 1HD LYS 13 -1.605 -5.537 -3.897 105 2HD LYS 13 2HD LYS 13 -2.608 -6.109 -5.231 106 1HE LYS 13 1HE LYS 13 -0.671 -5.914 -6.444 107 2HE LYS 13 2HE LYS 13 -1.087 -4.188 -6.481 108 1HZ LYS 13 1HZ LYS 13 0.507 -5.525 -4.357 109 2HZ LYS 13 2HZ LYS 13 1.148 -4.547 -5.587 110 3HZ LYS 13 3HZ LYS 13 0.114 -3.872 -4.420 111 H THR 14 H THR 14 -5.262 -6.766 -2.025 112 HA THR 14 HA THR 14 -3.453 -7.514 0.104 113 HB THR 14 HB THR 14 -5.485 -9.087 -1.514 114 HG1 THR 14 HG1 THR 14 -6.773 -8.594 0.362 115 1HG2 THR 14 1HG2 THR 14 -3.624 -9.890 0.523 116 2HG2 THR 14 2HG2 THR 14 -5.264 -10.003 1.161 117 3HG2 THR 14 3HG2 THR 14 -4.830 -10.868 -0.314 118 H CYS 15 H CYS 15 -1.931 -9.258 0.092 119 HA CYS 15 HA CYS 15 -0.929 -10.042 -2.627 120 1HB CYS 15 1HB CYS 15 1.311 -10.160 -1.333 121 2HB CYS 15 2HB CYS 15 0.665 -8.557 -1.673 122 H TYR 16 H TYR 16 0.253 -12.202 -2.560 123 HA TYR 16 HA TYR 16 -1.137 -14.037 -0.641 124 1HB TYR 16 1HB TYR 16 0.148 -14.588 -3.334 125 2HB TYR 16 2HB TYR 16 -0.883 -15.688 -2.418 126 HD1 TYR 16 HD1 TYR 16 -0.840 -12.347 -4.082 127 HD2 TYR 16 HD2 TYR 16 -3.233 -15.602 -2.625 128 HE1 TYR 16 HE1 TYR 16 -2.848 -11.340 -5.133 129 HE2 TYR 16 HE2 TYR 16 -5.241 -14.595 -3.675 130 HH TYR 16 HH TYR 16 -6.031 -12.941 -4.914 131 H LYS 17 H LYS 17 1.980 -12.881 -1.647 132 HA LYS 17 HA LYS 17 3.347 -15.146 -0.260 133 1HB LYS 17 1HB LYS 17 4.317 -12.922 -2.083 134 2HB LYS 17 2HB LYS 17 5.340 -14.202 -1.430 135 1HG LYS 17 1HG LYS 17 3.743 -15.868 -2.492 136 2HG LYS 17 2HG LYS 17 3.004 -14.502 -3.329 137 1HD LYS 17 1HD LYS 17 5.602 -14.014 -3.886 138 2HD LYS 17 2HD LYS 17 5.658 -15.771 -3.751 139 1HE LYS 17 1HE LYS 17 3.382 -15.416 -5.254 140 2HE LYS 17 2HE LYS 17 4.420 -14.101 -5.841 141 1HZ LYS 17 1HZ LYS 17 5.324 -16.906 -5.478 142 2HZ LYS 17 2HZ LYS 17 4.844 -16.250 -6.969 143 3HZ LYS 17 3HZ LYS 17 6.210 -15.636 -6.167 144 H LEU 18 H LEU 18 2.921 -14.403 1.932 145 HA LEU 18 HA LEU 18 3.399 -11.789 2.929 146 1HB LEU 18 1HB LEU 18 3.377 -14.591 4.008 147 2HB LEU 18 2HB LEU 18 3.887 -13.275 5.066 148 HG LEU 18 HG LEU 18 1.278 -13.340 3.524 149 1HD1 LEU 18 1HD1 LEU 18 2.043 -14.129 6.319 150 2HD1 LEU 18 2HD1 LEU 18 0.450 -13.432 6.026 151 3HD1 LEU 18 3HD1 LEU 18 0.926 -14.916 5.203 152 1HD2 LEU 18 1HD2 LEU 18 2.686 -11.339 5.230 153 2HD2 LEU 18 2HD2 LEU 18 1.604 -11.086 3.861 154 3HD2 LEU 18 3HD2 LEU 18 0.941 -11.488 5.444 155 H GLY 19 H GLY 19 5.284 -10.893 3.970 156 1HA GLY 19 1HA GLY 19 7.617 -10.916 4.617 157 2HA GLY 19 2HA GLY 19 7.835 -12.379 3.656 158 H GLU 20 H GLU 20 9.735 -11.018 2.852 159 HA GLU 20 HA GLU 20 9.551 -8.671 1.324 160 1HB GLU 20 1HB GLU 20 11.210 -11.184 1.150 161 2HB GLU 20 2HB GLU 20 11.451 -9.875 -0.008 162 1HG GLU 20 1HG GLU 20 11.452 -9.403 2.979 163 2HG GLU 20 2HG GLU 20 12.919 -9.807 2.088 164 H ASN 21 H ASN 21 7.493 -8.697 0.235 165 HA ASN 21 HA ASN 21 7.127 -10.704 -1.930 166 1HB ASN 21 1HB ASN 21 5.349 -10.103 -0.241 167 2HB ASN 21 2HB ASN 21 5.313 -8.485 -0.941 168 1HD2 ASN 21 2HD2 ASN 21 3.336 -10.923 -0.965 169 2HD2 ASN 21 1HD2 ASN 21 2.900 -11.040 -2.602 170 H ASP 22 H ASP 22 8.607 -9.938 -3.515 171 HA ASP 22 HA ASP 22 9.289 -7.446 -4.415 172 1HB ASP 22 1HB ASP 22 10.123 -9.313 -5.583 173 2HB ASP 22 2HB ASP 22 8.514 -9.989 -5.835 174 H PHE 23 H PHE 23 6.145 -9.026 -4.958 175 HA PHE 23 HA PHE 23 4.963 -7.206 -6.761 176 1HB PHE 23 1HB PHE 23 4.188 -9.435 -5.490 177 2HB PHE 23 2HB PHE 23 3.397 -8.264 -4.437 178 HD1 PHE 23 HD1 PHE 23 3.338 -6.327 -7.112 179 HD2 PHE 23 HD2 PHE 23 1.780 -10.174 -6.000 180 HE1 PHE 23 HE1 PHE 23 1.518 -6.073 -8.778 181 HE2 PHE 23 HE2 PHE 23 -0.040 -9.917 -7.665 182 HZ PHE 23 HZ PHE 23 -0.169 -7.868 -9.055 183 H CYS 24 H CYS 24 4.661 -7.128 -3.175 184 HA CYS 24 HA CYS 24 3.528 -4.485 -3.092 185 1HB CYS 24 1HB CYS 24 5.056 -6.165 -1.078 186 2HB CYS 24 2HB CYS 24 4.176 -4.696 -0.669 187 H ASN 25 H ASN 25 6.852 -5.724 -2.764 188 HA ASN 25 HA ASN 25 8.225 -3.366 -2.062 189 1HB ASN 25 1HB ASN 25 8.768 -5.988 -2.944 190 2HB ASN 25 2HB ASN 25 9.610 -4.937 -4.083 191 1HD2 ASN 25 2HD2 ASN 25 9.543 -6.049 -0.747 192 2HD2 ASN 25 1HD2 ASN 25 10.947 -5.236 -0.251 193 H ARG 26 H ARG 26 7.353 -4.562 -5.319 194 HA ARG 26 HA ARG 26 8.478 -2.419 -6.829 195 1HB ARG 26 1HB ARG 26 6.868 -4.750 -7.183 196 2HB ARG 26 2HB ARG 26 6.045 -3.416 -7.995 197 1HG ARG 26 1HG ARG 26 8.958 -3.469 -8.427 198 2HG ARG 26 2HG ARG 26 8.108 -4.868 -9.086 199 1HD ARG 26 1HD ARG 26 6.461 -2.761 -9.807 200 2HD ARG 26 2HD ARG 26 8.084 -2.079 -10.007 201 HE ARG 26 HE ARG 26 6.882 -4.048 -11.708 202 1HH1 ARG 26 1HH1 ARG 26 9.856 -3.435 -10.043 203 2HH1 ARG 26 2HH1 ARG 26 10.754 -4.570 -10.989 204 1HH2 ARG 26 1HH2 ARG 26 8.058 -5.492 -12.954 205 2HH2 ARG 26 2HH2 ARG 26 9.748 -5.713 -12.646 206 H GLU 27 H GLU 27 5.178 -2.881 -5.538 207 HA GLU 27 HA GLU 27 3.945 -0.538 -6.471 208 1HB GLU 27 1HB GLU 27 2.596 -2.101 -5.362 209 2HB GLU 27 2HB GLU 27 3.737 -2.286 -4.032 210 1HG GLU 27 1HG GLU 27 3.006 -0.360 -2.955 211 2HG GLU 27 2HG GLU 27 2.424 0.378 -4.447 212 H CYS 28 H CYS 28 5.801 -0.978 -3.442 213 HA CYS 28 HA CYS 28 5.706 1.876 -2.801 214 1HB CYS 28 1HB CYS 28 6.117 -0.545 -1.480 215 2HB CYS 28 2HB CYS 28 7.701 0.231 -1.435 216 H LYS 29 H LYS 29 7.530 0.055 -4.973 217 HA LYS 29 HA LYS 29 10.024 1.631 -4.626 218 1HB LYS 29 1HB LYS 29 10.251 -0.738 -5.005 219 2HB LYS 29 2HB LYS 29 9.151 -0.679 -6.381 220 1HG LYS 29 1HG LYS 29 10.775 0.024 -7.798 221 2HG LYS 29 2HG LYS 29 11.437 1.157 -6.620 222 1HD LYS 29 1HD LYS 29 11.886 -1.843 -6.633 223 2HD LYS 29 2HD LYS 29 13.066 -0.627 -7.120 224 1HE LYS 29 1HE LYS 29 12.412 0.317 -4.650 225 2HE LYS 29 2HE LYS 29 12.208 -1.427 -4.394 226 1HZ LYS 29 1HZ LYS 29 14.428 -1.351 -5.894 227 2HZ LYS 29 2HZ LYS 29 14.612 0.078 -4.994 228 3HZ LYS 29 3HZ LYS 29 14.436 -1.414 -4.200 229 H TRP 30 H TRP 30 7.120 2.218 -6.033 230 HA TRP 30 HA TRP 30 8.026 3.194 -8.648 231 1HB TRP 30 1HB TRP 30 5.643 3.866 -8.801 232 2HB TRP 30 2HB TRP 30 5.841 2.189 -8.318 233 HD1 TRP 30 HD1 TRP 30 3.193 3.062 -7.576 234 HE1 TRP 30 HE1 TRP 30 2.419 3.632 -5.194 235 HE3 TRP 30 HE3 TRP 30 7.718 4.113 -5.323 236 HZ2 TRP 30 HZ2 TRP 30 3.519 4.417 -2.700 237 HZ3 TRP 30 HZ3 TRP 30 7.785 4.764 -2.953 238 HH2 TRP 30 HH2 TRP 30 5.697 4.919 -1.634 239 H LYS 31 H LYS 31 6.047 5.547 -8.227 240 HA LYS 31 HA LYS 31 7.774 7.699 -8.084 241 1HB LYS 31 1HB LYS 31 5.342 7.773 -8.564 242 2HB LYS 31 2HB LYS 31 5.003 7.477 -6.858 243 1HG LYS 31 1HG LYS 31 5.954 9.569 -6.204 244 2HG LYS 31 2HG LYS 31 6.682 9.814 -7.792 245 1HD LYS 31 1HD LYS 31 4.698 10.476 -8.755 246 2HD LYS 31 2HD LYS 31 3.721 9.470 -7.685 247 1HE LYS 31 1HE LYS 31 3.535 11.118 -6.110 248 2HE LYS 31 2HE LYS 31 5.215 11.644 -6.330 249 1HZ LYS 31 1HZ LYS 31 3.581 12.029 -8.664 250 2HZ LYS 31 2HZ LYS 31 3.039 12.923 -7.328 251 3HZ LYS 31 3HZ LYS 31 4.631 13.115 -7.886 252 H HIS 32 H HIS 32 9.296 8.168 -6.548 253 HA HIS 32 HA HIS 32 9.391 7.090 -3.914 254 1HB HIS 32 1HB HIS 32 10.613 9.476 -5.311 255 2HB HIS 32 2HB HIS 32 11.020 9.083 -3.640 256 HD1 HIS 32 HD1 HIS 32 10.847 5.915 -4.123 257 HD2 HIS 32 HD2 HIS 32 13.115 8.620 -6.343 258 HE1 HIS 32 HE1 HIS 32 12.713 4.576 -5.195 259 H ILE 33 H ILE 33 7.972 7.544 -2.275 260 HA ILE 33 HA ILE 33 6.770 10.292 -2.163 261 HB ILE 33 HB ILE 33 5.773 7.555 -1.318 262 1HG1 ILE 33 1HG1 ILE 33 4.812 9.586 -3.360 263 2HG1 ILE 33 2HG1 ILE 33 5.583 8.041 -3.716 264 1HG2 ILE 33 1HG2 ILE 33 5.226 9.775 0.107 265 2HG2 ILE 33 2HG2 ILE 33 4.021 9.959 -1.167 266 3HG2 ILE 33 3HG2 ILE 33 4.028 8.510 -0.164 267 1HD1 ILE 33 1HD1 ILE 33 3.430 7.491 -1.953 268 2HD1 ILE 33 2HD1 ILE 33 2.807 8.577 -3.196 269 3HD1 ILE 33 3HD1 ILE 33 3.565 7.052 -3.656 270 H GLY 34 H GLY 34 8.475 7.776 -0.410 271 1HA GLY 34 1HA GLY 34 9.892 9.057 1.428 272 2HA GLY 34 2HA GLY 34 8.289 9.322 2.119 273 H GLY 35 H GLY 35 7.394 6.647 1.068 274 1HA GLY 35 1HA GLY 35 7.697 5.086 3.366 275 2HA GLY 35 2HA GLY 35 7.377 4.404 1.772 276 H SER 36 H SER 36 9.434 4.073 4.251 277 HA SER 36 HA SER 36 11.985 4.002 2.799 278 1HB SER 36 1HB SER 36 12.697 4.163 4.938 279 2HB SER 36 2HB SER 36 11.024 4.074 5.477 280 HG SER 36 HG SER 36 11.327 2.062 6.028 281 H TYR 37 H TYR 37 9.625 1.643 4.054 282 HA TYR 37 HA TYR 37 10.859 -0.403 2.254 283 1HB TYR 37 1HB TYR 37 11.290 -0.310 4.941 284 2HB TYR 37 2HB TYR 37 9.833 -1.302 4.887 285 HD1 TYR 37 HD1 TYR 37 13.305 -1.000 3.575 286 HD2 TYR 37 HD2 TYR 37 9.896 -3.561 4.117 287 HE1 TYR 37 HE1 TYR 37 14.659 -2.952 2.861 288 HE2 TYR 37 HE2 TYR 37 11.252 -5.511 3.401 289 HH TYR 37 HH TYR 37 13.543 -6.194 3.225 290 H GLY 38 H GLY 38 9.358 -1.941 1.452 291 1HA GLY 38 1HA GLY 38 6.523 -1.708 2.297 292 2HA GLY 38 2HA GLY 38 6.895 -1.403 0.599 293 H TYR 39 H TYR 39 5.708 -3.755 2.476 294 HA TYR 39 HA TYR 39 6.597 -5.874 0.606 295 1HB TYR 39 1HB TYR 39 7.248 -7.286 2.638 296 2HB TYR 39 2HB TYR 39 8.340 -5.955 2.255 297 HD1 TYR 39 HD1 TYR 39 7.888 -3.684 3.451 298 HD2 TYR 39 HD2 TYR 39 6.302 -7.448 4.785 299 HE1 TYR 39 HE1 TYR 39 7.509 -2.725 5.705 300 HE2 TYR 39 HE2 TYR 39 5.924 -6.488 7.039 301 HH TYR 39 HH TYR 39 6.406 -3.059 7.681 302 H CYS 40 H CYS 40 5.426 -7.995 1.211 303 HA CYS 40 HA CYS 40 2.591 -7.483 1.483 304 1HB CYS 40 1HB CYS 40 3.572 -9.274 0.115 305 2HB CYS 40 2HB CYS 40 4.256 -10.022 1.558 306 H TYR 41 H TYR 41 2.068 -6.655 3.534 307 HA TYR 41 HA TYR 41 2.843 -8.318 5.909 308 1HB TYR 41 1HB TYR 41 3.524 -5.831 5.579 309 2HB TYR 41 2HB TYR 41 1.832 -5.472 5.917 310 HD1 TYR 41 HD1 TYR 41 4.442 -7.799 7.311 311 HD2 TYR 41 HD2 TYR 41 1.408 -4.864 8.113 312 HE1 TYR 41 HE1 TYR 41 4.878 -8.010 9.744 313 HE2 TYR 41 HE2 TYR 41 1.847 -5.076 10.544 314 HH TYR 41 HH TYR 41 4.332 -7.322 11.774 315 H GLY 42 H GLY 42 1.141 -9.499 6.737 316 1HA GLY 42 1HA GLY 42 -1.066 -10.161 7.199 317 2HA GLY 42 2HA GLY 42 -1.419 -8.437 7.317 318 H PHE 43 H PHE 43 -0.511 -10.611 4.616 319 HA PHE 43 HA PHE 43 -1.434 -10.753 2.441 320 1HB PHE 43 1HB PHE 43 -3.892 -10.333 4.177 321 2HB PHE 43 2HB PHE 43 -3.912 -11.002 2.545 322 HD1 PHE 43 HD1 PHE 43 -1.704 -12.822 2.406 323 HD2 PHE 43 HD2 PHE 43 -4.301 -12.020 5.732 324 HE1 PHE 43 HE1 PHE 43 -1.223 -15.073 3.326 325 HE2 PHE 43 HE2 PHE 43 -3.818 -14.270 6.654 326 HZ PHE 43 HZ PHE 43 -2.278 -15.798 5.451 327 H GLY 44 H GLY 44 -0.415 -8.195 2.846 328 1HA GLY 44 1HA GLY 44 -2.002 -6.616 1.025 329 2HA GLY 44 2HA GLY 44 -2.153 -5.997 2.669 330 H CYS 45 H CYS 45 -0.720 -4.998 0.124 331 HA CYS 45 HA CYS 45 2.118 -5.005 0.736 332 1HB CYS 45 1HB CYS 45 0.335 -3.281 -1.013 333 2HB CYS 45 2HB CYS 45 2.094 -3.221 -1.039 334 H TYR 46 H TYR 46 2.197 -4.278 2.967 335 HA TYR 46 HA TYR 46 1.116 -1.625 3.676 336 1HB TYR 46 1HB TYR 46 1.287 -3.802 5.075 337 2HB TYR 46 2HB TYR 46 2.990 -3.393 5.260 338 HD1 TYR 46 HD1 TYR 46 -0.178 -1.372 5.271 339 HD2 TYR 46 HD2 TYR 46 3.406 -2.486 7.356 340 HE1 TYR 46 HE1 TYR 46 -0.761 0.190 7.105 341 HE2 TYR 46 HE2 TYR 46 2.824 -0.926 9.190 342 HH TYR 46 HH TYR 46 0.925 1.481 9.027 343 H CYS 47 H CYS 47 2.344 0.256 3.773 344 HA CYS 47 HA CYS 47 5.295 -0.004 3.264 345 1HB CYS 47 1HB CYS 47 3.147 1.747 2.094 346 2HB CYS 47 2HB CYS 47 4.807 2.342 2.154 347 H GLU 48 H GLU 48 6.617 1.347 4.529 348 HA GLU 48 HA GLU 48 5.203 2.929 6.650 349 1HB GLU 48 1HB GLU 48 7.930 1.600 6.689 350 2HB GLU 48 2HB GLU 48 7.090 2.312 8.067 351 1HG GLU 48 1HG GLU 48 5.181 0.635 7.457 352 2HG GLU 48 2HG GLU 48 6.444 -0.215 6.566 353 H GLY 49 H GLY 49 5.616 5.107 6.630 354 1HA GLY 49 1HA GLY 49 7.379 6.873 6.620 355 2HA GLY 49 2HA GLY 49 8.094 6.040 5.241 356 H LEU 50 H LEU 50 4.626 6.536 5.644 357 HA LEU 50 HA LEU 50 4.582 8.000 3.067 358 1HB LEU 50 1HB LEU 50 2.244 7.164 4.790 359 2HB LEU 50 2HB LEU 50 2.291 7.366 3.039 360 HG LEU 50 HG LEU 50 4.290 5.468 3.651 361 1HD1 LEU 50 1HD1 LEU 50 1.972 5.339 5.475 362 2HD1 LEU 50 2HD1 LEU 50 2.336 3.827 4.643 363 3HD1 LEU 50 3HD1 LEU 50 3.570 4.608 5.631 364 1HD2 LEU 50 1HD2 LEU 50 2.710 5.686 1.661 365 2HD2 LEU 50 2HD2 LEU 50 2.975 4.043 2.247 366 3HD2 LEU 50 3HD2 LEU 50 1.489 4.898 2.661 367 HA PRO 51 HA PRO 51 4.400 11.808 5.490 368 1HB PRO 51 1HB PRO 51 3.839 13.230 3.058 369 2HB PRO 51 2HB PRO 51 5.367 13.153 3.940 370 1HG PRO 51 1HG PRO 51 4.727 11.932 1.425 371 2HG PRO 51 2HG PRO 51 6.250 11.849 2.315 372 1HD PRO 51 1HD PRO 51 4.289 9.757 1.955 373 2HD PRO 51 2HD PRO 51 5.834 9.669 2.836 374 H ASP 52 H ASP 52 2.678 13.582 5.665 375 HA ASP 52 HA ASP 52 0.042 12.420 5.781 376 1HB ASP 52 1HB ASP 52 1.327 14.422 7.022 377 2HB ASP 52 2HB ASP 52 0.475 15.375 5.806 378 H SER 53 H SER 53 1.777 14.021 3.250 379 HA SER 53 HA SER 53 -0.566 15.044 1.830 380 1HB SER 53 1HB SER 53 2.359 14.614 1.183 381 2HB SER 53 2HB SER 53 1.228 15.301 0.022 382 HG SER 53 HG SER 53 2.446 16.789 1.466 383 H THR 54 H THR 54 0.678 11.943 2.299 384 HA THR 54 HA THR 54 -0.081 10.945 -0.395 385 HB THR 54 HB THR 54 0.859 9.289 1.935 386 HG1 THR 54 HG1 THR 54 2.565 10.774 0.240 387 1HG2 THR 54 1HG2 THR 54 0.244 8.309 -0.312 388 2HG2 THR 54 2HG2 THR 54 1.591 9.217 -0.999 389 3HG2 THR 54 3HG2 THR 54 1.894 7.971 0.211 390 H GLN 55 H GLN 55 -1.909 9.691 -0.736 391 HA GLN 55 HA GLN 55 -3.883 9.547 1.477 392 1HB GLN 55 1HB GLN 55 -4.032 10.220 -1.163 393 2HB GLN 55 2HB GLN 55 -4.496 8.519 -1.236 394 1HG GLN 55 1HG GLN 55 -5.726 10.286 0.856 395 2HG GLN 55 2HG GLN 55 -6.336 10.354 -0.798 396 1HE2 GLN 55 2HE2 GLN 55 -6.375 8.503 2.135 397 2HE2 GLN 55 1HE2 GLN 55 -7.271 7.189 1.542 398 H THR 56 H THR 56 -4.177 7.631 2.578 399 HA THR 56 HA THR 56 -3.289 5.103 1.236 400 HB THR 56 HB THR 56 -2.714 4.615 3.800 401 HG1 THR 56 HG1 THR 56 -3.382 6.552 4.620 402 1HG2 THR 56 1HG2 THR 56 -1.202 5.916 1.592 403 2HG2 THR 56 2HG2 THR 56 -0.443 5.915 3.184 404 3HG2 THR 56 3HG2 THR 56 -0.891 4.390 2.421 405 H TRP 57 H TRP 57 -4.155 3.155 2.571 406 HA TRP 57 HA TRP 57 -7.068 3.453 2.871 407 1HB TRP 57 1HB TRP 57 -5.444 1.588 1.824 408 2HB TRP 57 2HB TRP 57 -5.556 0.949 3.460 409 HD1 TRP 57 HD1 TRP 57 -8.059 2.355 0.849 410 HE1 TRP 57 HE1 TRP 57 -10.155 0.849 0.861 411 HE3 TRP 57 HE3 TRP 57 -6.728 -0.978 4.483 412 HZ2 TRP 57 HZ2 TRP 57 -11.134 -1.459 2.237 413 HZ3 TRP 57 HZ3 TRP 57 -8.259 -2.817 5.123 414 HH2 TRP 57 HH2 TRP 57 -10.458 -3.063 4.006 415 HA PRO 58 HA PRO 58 -8.720 2.441 3.871 416 1HB PRO 58 1HB PRO 58 -10.386 3.866 5.667 417 2HB PRO 58 2HB PRO 58 -10.231 2.113 5.532 418 1HG PRO 58 1HG PRO 58 -9.298 3.842 7.660 419 2HG PRO 58 2HG PRO 58 -9.284 2.078 7.589 420 1HD PRO 58 1HD PRO 58 -7.044 3.874 7.322 421 2HD PRO 58 2HD PRO 58 -7.034 2.095 7.234 422 H LEU 59 H LEU 59 -9.976 3.965 2.595 423 HA LEU 59 HA LEU 59 -8.778 6.687 2.525 424 1HB LEU 59 1HB LEU 59 -8.936 6.427 0.264 425 2HB LEU 59 2HB LEU 59 -9.126 4.726 0.656 426 HG LEU 59 HG LEU 59 -11.418 6.681 0.313 427 1HD1 LEU 59 1HD1 LEU 59 -9.795 5.326 -1.613 428 2HD1 LEU 59 2HD1 LEU 59 -11.391 4.576 -1.617 429 3HD1 LEU 59 3HD1 LEU 59 -11.231 6.310 -1.898 430 1HD2 LEU 59 1HD2 LEU 59 -11.580 4.548 1.836 431 2HD2 LEU 59 2HD2 LEU 59 -12.857 4.863 0.664 432 3HD2 LEU 59 3HD2 LEU 59 -11.605 3.675 0.304 433 HA PRO 60 HA PRO 60 -12.357 9.040 3.498 434 1HB PRO 60 1HB PRO 60 -13.011 9.878 0.791 435 2HB PRO 60 2HB PRO 60 -12.324 10.830 2.111 436 1HG PRO 60 1HG PRO 60 -10.978 9.895 -0.215 437 2HG PRO 60 2HG PRO 60 -10.264 10.726 1.170 438 1HD PRO 60 1HD PRO 60 -9.941 7.967 0.406 439 2HD PRO 60 2HD PRO 60 -9.229 8.797 1.808 440 H ASN 61 H ASN 61 -14.736 9.536 2.209 441 HA ASN 61 HA ASN 61 -16.263 7.185 2.609 442 1HB ASN 61 1HB ASN 61 -16.783 9.700 0.995 443 2HB ASN 61 2HB ASN 61 -18.031 8.543 1.458 444 1HD2 ASN 61 2HD2 ASN 61 -17.140 7.931 4.105 445 2HD2 ASN 61 1HD2 ASN 61 -17.285 9.327 5.058 446 H LYS 62 H LYS 62 -14.532 8.292 -0.230 447 HA LYS 62 HA LYS 62 -15.960 6.767 -2.213 448 1HB LYS 62 1HB LYS 62 -13.830 8.575 -2.058 449 2HB LYS 62 2HB LYS 62 -13.094 7.093 -2.670 450 1HG LYS 62 1HG LYS 62 -13.835 8.158 -4.630 451 2HG LYS 62 2HG LYS 62 -15.137 7.021 -4.283 452 1HD LYS 62 1HD LYS 62 -15.930 9.181 -2.812 453 2HD LYS 62 2HD LYS 62 -15.138 9.972 -4.176 454 1HE LYS 62 1HE LYS 62 -16.519 8.314 -5.649 455 2HE LYS 62 2HE LYS 62 -17.527 8.132 -4.199 456 1HZ LYS 62 1HZ LYS 62 -16.703 10.815 -5.088 457 2HZ LYS 62 2HZ LYS 62 -18.022 10.059 -5.838 458 3HZ LYS 62 3HZ LYS 62 -18.055 10.360 -4.167 459 H THR 63 H THR 63 -15.983 4.919 -0.330 460 HA THR 63 HA THR 63 -13.642 3.226 -0.151 461 HB THR 63 HB THR 63 -16.524 2.454 0.341 462 HG1 THR 63 HG1 THR 63 -16.569 3.732 2.031 463 1HG2 THR 63 1HG2 THR 63 -13.881 1.763 1.654 464 2HG2 THR 63 2HG2 THR 63 -15.456 1.238 2.250 465 3HG2 THR 63 3HG2 THR 63 -14.884 0.691 0.676 466 H CYS 64 H CYS 64 -13.841 0.844 -0.839 467 HA CYS 64 HA CYS 64 -14.303 0.730 -3.714 468 1HB CYS 64 1HB CYS 64 -12.482 -0.380 -2.289 469 2HB CYS 64 2HB CYS 64 -13.717 -1.536 -1.797 Start of MODEL 14 1 1H LYS 1 1H LYS 1 7.067 4.251 10.635 2 2H LYS 1 2H LYS 1 7.607 5.257 9.376 3 3H LYS 1 3H LYS 1 7.302 5.907 10.916 4 HA LYS 1 HA LYS 1 4.974 5.634 10.698 5 1HB LYS 1 1HB LYS 1 6.323 6.588 8.151 6 2HB LYS 1 2HB LYS 1 4.659 6.966 8.599 7 1HG LYS 1 1HG LYS 1 5.496 8.008 10.703 8 2HG LYS 1 2HG LYS 1 7.149 7.708 10.165 9 1HD LYS 1 1HD LYS 1 5.130 9.314 8.575 10 2HD LYS 1 2HD LYS 1 6.316 10.035 9.664 11 1HE LYS 1 1HE LYS 1 7.198 8.132 7.489 12 2HE LYS 1 2HE LYS 1 6.961 9.859 7.152 13 1HZ LYS 1 1HZ LYS 1 8.392 9.167 9.598 14 2HZ LYS 1 2HZ LYS 1 9.225 8.917 8.138 15 3HZ LYS 1 3HZ LYS 1 8.637 10.462 8.531 16 H ASP 2 H ASP 2 3.156 4.888 9.268 17 HA ASP 2 HA ASP 2 3.877 2.663 7.411 18 1HB ASP 2 1HB ASP 2 1.921 2.477 9.725 19 2HB ASP 2 2HB ASP 2 2.360 1.173 8.621 20 H GLY 3 H GLY 3 2.000 2.007 6.069 21 1HA GLY 3 1HA GLY 3 -0.435 3.612 6.106 22 2HA GLY 3 2HA GLY 3 0.640 4.029 4.770 23 H TYR 4 H TYR 4 -1.704 3.059 3.931 24 HA TYR 4 HA TYR 4 -1.104 0.205 3.215 25 1HB TYR 4 1HB TYR 4 -3.303 1.364 4.632 26 2HB TYR 4 2HB TYR 4 -3.903 0.780 3.080 27 HD1 TYR 4 HD1 TYR 4 -2.728 -1.587 2.372 28 HD2 TYR 4 HD2 TYR 4 -3.383 -0.175 6.377 29 HE1 TYR 4 HE1 TYR 4 -2.639 -3.920 3.210 30 HE2 TYR 4 HE2 TYR 4 -3.294 -2.508 7.213 31 HH TYR 4 HH TYR 4 -3.664 -5.135 5.373 32 H LEU 5 H LEU 5 -0.620 0.175 1.065 33 HA LEU 5 HA LEU 5 -0.937 2.164 -0.845 34 1HB LEU 5 1HB LEU 5 -0.487 -0.705 -0.718 35 2HB LEU 5 2HB LEU 5 -1.387 -0.273 -2.172 36 HG LEU 5 HG LEU 5 1.154 1.121 -1.289 37 1HD1 LEU 5 1HD1 LEU 5 0.660 -1.300 -2.981 38 2HD1 LEU 5 2HD1 LEU 5 1.937 -0.186 -3.467 39 3HD1 LEU 5 3HD1 LEU 5 1.996 -0.957 -1.882 40 1HD2 LEU 5 1HD2 LEU 5 -0.876 1.709 -3.219 41 2HD2 LEU 5 2HD2 LEU 5 0.627 2.583 -2.920 42 3HD2 LEU 5 3HD2 LEU 5 0.591 1.263 -4.090 43 H VAL 6 H VAL 6 -2.561 2.619 -2.439 44 HA VAL 6 HA VAL 6 -5.293 1.561 -1.777 45 HB VAL 6 HB VAL 6 -6.094 3.801 -2.403 46 1HG1 VAL 6 1HG1 VAL 6 -4.464 3.181 -0.165 47 2HG1 VAL 6 2HG1 VAL 6 -4.025 4.810 -0.677 48 3HG1 VAL 6 3HG1 VAL 6 -5.701 4.432 -0.282 49 1HG2 VAL 6 1HG2 VAL 6 -3.355 3.981 -3.460 50 2HG2 VAL 6 2HG2 VAL 6 -4.803 4.871 -3.932 51 3HG2 VAL 6 3HG2 VAL 6 -3.851 5.407 -2.548 52 H GLU 7 H GLU 7 -6.735 2.340 -3.872 53 HA GLU 7 HA GLU 7 -5.284 1.334 -6.299 54 1HB GLU 7 1HB GLU 7 -8.084 0.799 -5.257 55 2HB GLU 7 2HB GLU 7 -7.533 0.310 -6.861 56 1HG GLU 7 1HG GLU 7 -5.696 -0.457 -4.694 57 2HG GLU 7 2HG GLU 7 -7.282 -1.221 -4.586 58 H LYS 8 H LYS 8 -7.063 1.863 -8.257 59 HA LYS 8 HA LYS 8 -6.954 4.706 -8.587 60 1HB LYS 8 1HB LYS 8 -8.012 4.235 -10.666 61 2HB LYS 8 2HB LYS 8 -7.080 2.784 -10.301 62 1HG LYS 8 1HG LYS 8 -9.061 1.656 -9.463 63 2HG LYS 8 2HG LYS 8 -10.013 3.132 -9.630 64 1HD LYS 8 1HD LYS 8 -9.478 3.089 -12.102 65 2HD LYS 8 2HD LYS 8 -8.784 1.486 -11.855 66 1HE LYS 8 1HE LYS 8 -11.164 1.096 -10.641 67 2HE LYS 8 2HE LYS 8 -11.642 2.329 -11.824 68 1HZ LYS 8 1HZ LYS 8 -9.909 0.077 -12.618 69 2HZ LYS 8 2HZ LYS 8 -11.597 -0.117 -12.574 70 3HZ LYS 8 3HZ LYS 8 -10.900 1.051 -13.591 71 H THR 9 H THR 9 -9.528 2.537 -7.459 72 HA THR 9 HA THR 9 -11.442 4.786 -7.244 73 HB THR 9 HB THR 9 -13.001 2.978 -6.747 74 HG1 THR 9 HG1 THR 9 -10.980 1.072 -6.924 75 1HG2 THR 9 1HG2 THR 9 -12.069 3.336 -9.121 76 2HG2 THR 9 2HG2 THR 9 -11.119 1.878 -8.829 77 3HG2 THR 9 3HG2 THR 9 -12.880 1.803 -8.799 78 H GLY 10 H GLY 10 -8.904 3.880 -5.413 79 1HA GLY 10 1HA GLY 10 -8.435 4.647 -3.192 80 2HA GLY 10 2HA GLY 10 -10.160 4.858 -2.918 81 H CYS 11 H CYS 11 -10.397 2.019 -4.208 82 HA CYS 11 HA CYS 11 -10.842 0.491 -1.903 83 1HB CYS 11 1HB CYS 11 -10.159 -0.044 -4.769 84 2HB CYS 11 2HB CYS 11 -10.127 -1.406 -3.653 85 H LYS 12 H LYS 12 -9.502 -0.903 -0.639 86 HA LYS 12 HA LYS 12 -6.706 -0.213 -0.425 87 1HB LYS 12 1HB LYS 12 -6.723 -2.027 1.242 88 2HB LYS 12 2HB LYS 12 -8.144 -1.006 1.430 89 1HG LYS 12 1HG LYS 12 -9.573 -2.611 0.452 90 2HG LYS 12 2HG LYS 12 -8.227 -3.487 -0.281 91 1HD LYS 12 1HD LYS 12 -7.422 -4.013 2.064 92 2HD LYS 12 2HD LYS 12 -8.945 -3.351 2.659 93 1HE LYS 12 1HE LYS 12 -9.527 -5.190 0.526 94 2HE LYS 12 2HE LYS 12 -8.477 -5.992 1.711 95 1HZ LYS 12 1HZ LYS 12 -10.702 -4.283 2.614 96 2HZ LYS 12 2HZ LYS 12 -11.004 -5.894 2.165 97 3HZ LYS 12 3HZ LYS 12 -9.929 -5.550 3.435 98 H LYS 13 H LYS 13 -5.412 -2.640 -0.143 99 HA LYS 13 HA LYS 13 -5.672 -3.980 -2.808 100 1HB LYS 13 1HB LYS 13 -3.348 -2.516 -1.583 101 2HB LYS 13 2HB LYS 13 -3.047 -3.839 -2.711 102 1HG LYS 13 1HG LYS 13 -5.111 -2.197 -3.814 103 2HG LYS 13 2HG LYS 13 -3.785 -1.145 -3.315 104 1HD LYS 13 1HD LYS 13 -2.367 -3.136 -4.468 105 2HD LYS 13 2HD LYS 13 -3.849 -3.238 -5.421 106 1HE LYS 13 1HE LYS 13 -2.136 -1.653 -6.391 107 2HE LYS 13 2HE LYS 13 -3.680 -0.864 -6.009 108 1HZ LYS 13 1HZ LYS 13 -1.794 -1.052 -3.815 109 2HZ LYS 13 2HZ LYS 13 -1.320 -0.019 -5.074 110 3HZ LYS 13 3HZ LYS 13 -2.797 0.239 -4.275 111 H THR 14 H THR 14 -5.721 -6.162 -2.506 112 HA THR 14 HA THR 14 -4.766 -7.300 0.074 113 HB THR 14 HB THR 14 -6.408 -8.376 -2.244 114 HG1 THR 14 HG1 THR 14 -6.944 -7.125 0.178 115 1HG2 THR 14 1HG2 THR 14 -4.987 -9.789 -0.237 116 2HG2 THR 14 2HG2 THR 14 -6.692 -9.851 0.205 117 3HG2 THR 14 3HG2 THR 14 -6.170 -10.433 -1.375 118 H CYS 15 H CYS 15 -3.207 -9.005 0.105 119 HA CYS 15 HA CYS 15 -1.854 -9.634 -2.489 120 1HB CYS 15 1HB CYS 15 0.315 -9.324 -1.204 121 2HB CYS 15 2HB CYS 15 -0.597 -7.840 -1.478 122 H TYR 16 H TYR 16 -1.649 -11.827 -2.676 123 HA TYR 16 HA TYR 16 -2.235 -13.588 -0.411 124 1HB TYR 16 1HB TYR 16 -1.955 -13.681 -3.325 125 2HB TYR 16 2HB TYR 16 -1.269 -15.103 -2.539 126 HD1 TYR 16 HD1 TYR 16 -2.905 -15.613 -0.247 127 HD2 TYR 16 HD2 TYR 16 -4.098 -14.166 -4.112 128 HE1 TYR 16 HE1 TYR 16 -5.185 -16.513 0.120 129 HE2 TYR 16 HE2 TYR 16 -6.378 -15.068 -3.744 130 HH TYR 16 HH TYR 16 -7.251 -17.206 -2.013 131 H LYS 17 H LYS 17 0.613 -12.261 -1.911 132 HA LYS 17 HA LYS 17 2.475 -14.305 -0.973 133 1HB LYS 17 1HB LYS 17 2.496 -11.669 -2.350 134 2HB LYS 17 2HB LYS 17 3.976 -12.109 -1.498 135 1HG LYS 17 1HG LYS 17 3.496 -14.449 -2.734 136 2HG LYS 17 2HG LYS 17 2.724 -13.363 -3.890 137 1HD LYS 17 1HD LYS 17 4.749 -12.101 -4.181 138 2HD LYS 17 2HD LYS 17 5.528 -12.933 -2.836 139 1HE LYS 17 1HE LYS 17 6.024 -14.779 -4.100 140 2HE LYS 17 2HE LYS 17 4.499 -14.688 -5.004 141 1HZ LYS 17 1HZ LYS 17 6.760 -12.782 -5.303 142 2HZ LYS 17 2HZ LYS 17 6.438 -14.066 -6.368 143 3HZ LYS 17 3HZ LYS 17 5.325 -12.792 -6.208 144 H LEU 18 H LEU 18 1.348 -14.066 1.319 145 HA LEU 18 HA LEU 18 1.669 -11.875 3.029 146 1HB LEU 18 1HB LEU 18 1.737 -14.867 3.372 147 2HB LEU 18 2HB LEU 18 1.944 -13.812 4.770 148 HG LEU 18 HG LEU 18 -0.419 -13.870 2.872 149 1HD1 LEU 18 1HD1 LEU 18 0.156 -14.892 5.605 150 2HD1 LEU 18 2HD1 LEU 18 -1.423 -14.144 5.366 151 3HD1 LEU 18 3HD1 LEU 18 -0.941 -15.521 4.375 152 1HD2 LEU 18 1HD2 LEU 18 0.526 -11.853 4.859 153 2HD2 LEU 18 2HD2 LEU 18 -0.395 -11.620 3.373 154 3HD2 LEU 18 3HD2 LEU 18 -1.201 -12.206 4.828 155 H GLY 19 H GLY 19 3.398 -10.893 3.977 156 1HA GLY 19 1HA GLY 19 5.608 -10.415 4.571 157 2HA GLY 19 2HA GLY 19 5.809 -12.149 4.793 158 H GLU 20 H GLU 20 7.869 -10.606 3.818 159 HA GLU 20 HA GLU 20 9.307 -10.283 1.955 160 1HB GLU 20 1HB GLU 20 8.658 -12.978 2.596 161 2HB GLU 20 2HB GLU 20 8.818 -12.886 0.841 162 1HG GLU 20 1HG GLU 20 10.938 -11.350 1.701 163 2HG GLU 20 2HG GLU 20 10.876 -12.622 2.922 164 H ASN 21 H ASN 21 6.855 -9.109 1.279 165 HA ASN 21 HA ASN 21 6.058 -10.187 -1.366 166 1HB ASN 21 1HB ASN 21 4.491 -9.310 0.446 167 2HB ASN 21 2HB ASN 21 5.111 -7.699 0.080 168 1HD2 ASN 21 2HD2 ASN 21 2.883 -10.150 -0.947 169 2HD2 ASN 21 1HD2 ASN 21 2.378 -9.390 -2.378 170 H ASP 22 H ASP 22 8.140 -9.728 -2.435 171 HA ASP 22 HA ASP 22 9.378 -7.161 -2.547 172 1HB ASP 22 1HB ASP 22 9.258 -9.407 -4.590 173 2HB ASP 22 2HB ASP 22 10.481 -8.139 -4.530 174 H PHE 23 H PHE 23 6.770 -8.606 -4.479 175 HA PHE 23 HA PHE 23 6.528 -6.952 -6.666 176 1HB PHE 23 1HB PHE 23 5.017 -8.829 -5.563 177 2HB PHE 23 2HB PHE 23 4.111 -7.441 -4.960 178 HD1 PHE 23 HD1 PHE 23 5.856 -8.294 -8.177 179 HD2 PHE 23 HD2 PHE 23 2.262 -6.924 -6.266 180 HE1 PHE 23 HE1 PHE 23 4.780 -8.026 -10.395 181 HE2 PHE 23 HE2 PHE 23 1.184 -6.657 -8.484 182 HZ PHE 23 HZ PHE 23 2.444 -7.207 -10.548 183 H CYS 24 H CYS 24 4.817 -6.177 -3.605 184 HA CYS 24 HA CYS 24 4.164 -3.500 -4.308 185 1HB CYS 24 1HB CYS 24 3.894 -5.308 -2.142 186 2HB CYS 24 2HB CYS 24 4.595 -3.833 -1.476 187 H ASN 25 H ASN 25 7.009 -4.815 -2.593 188 HA ASN 25 HA ASN 25 8.253 -2.495 -1.684 189 1HB ASN 25 1HB ASN 25 8.955 -4.971 -1.596 190 2HB ASN 25 2HB ASN 25 9.697 -4.696 -3.173 191 1HD2 ASN 25 2HD2 ASN 25 11.151 -5.291 -0.670 192 2HD2 ASN 25 1HD2 ASN 25 12.151 -3.954 -0.364 193 H ARG 26 H ARG 26 8.339 -3.814 -5.004 194 HA ARG 26 HA ARG 26 10.027 -1.677 -6.030 195 1HB ARG 26 1HB ARG 26 9.891 -3.961 -6.974 196 2HB ARG 26 2HB ARG 26 8.198 -3.686 -7.388 197 1HG ARG 26 1HG ARG 26 10.123 -1.648 -8.362 198 2HG ARG 26 2HG ARG 26 10.225 -3.236 -9.124 199 1HD ARG 26 1HD ARG 26 7.493 -2.776 -9.022 200 2HD ARG 26 2HD ARG 26 8.152 -1.176 -9.401 201 HE ARG 26 HE ARG 26 8.051 -3.405 -11.197 202 1HH1 ARG 26 1HH1 ARG 26 10.274 -0.993 -10.084 203 2HH1 ARG 26 2HH1 ARG 26 11.347 -1.199 -11.424 204 1HH2 ARG 26 1HH2 ARG 26 9.423 -3.644 -12.945 205 2HH2 ARG 26 2HH2 ARG 26 10.864 -2.688 -13.045 206 H GLU 27 H GLU 27 6.534 -2.293 -5.880 207 HA GLU 27 HA GLU 27 5.779 -0.079 -7.596 208 1HB GLU 27 1HB GLU 27 4.599 -2.255 -6.140 209 2HB GLU 27 2HB GLU 27 3.722 -0.776 -5.749 210 1HG GLU 27 1HG GLU 27 2.667 -1.672 -7.701 211 2HG GLU 27 2HG GLU 27 3.644 -0.311 -8.253 212 H CYS 28 H CYS 28 6.227 -0.484 -4.096 213 HA CYS 28 HA CYS 28 5.176 2.164 -3.435 214 1HB CYS 28 1HB CYS 28 5.724 -0.235 -2.142 215 2HB CYS 28 2HB CYS 28 6.961 0.852 -1.515 216 H LYS 29 H LYS 29 8.360 0.740 -4.041 217 HA LYS 29 HA LYS 29 9.801 3.168 -3.211 218 1HB LYS 29 1HB LYS 29 10.393 0.545 -3.246 219 2HB LYS 29 2HB LYS 29 11.049 0.989 -4.822 220 1HG LYS 29 1HG LYS 29 11.960 3.038 -3.225 221 2HG LYS 29 2HG LYS 29 12.031 1.657 -2.130 222 1HD LYS 29 1HD LYS 29 13.123 1.499 -4.941 223 2HD LYS 29 2HD LYS 29 14.105 2.095 -3.602 224 1HE LYS 29 1HE LYS 29 12.782 -0.339 -2.791 225 2HE LYS 29 2HE LYS 29 13.662 -0.613 -4.308 226 1HZ LYS 29 1HZ LYS 29 15.436 0.870 -3.104 227 2HZ LYS 29 2HZ LYS 29 14.683 0.278 -1.705 228 3HZ LYS 29 3HZ LYS 29 15.369 -0.804 -2.820 229 H TRP 30 H TRP 30 7.838 2.836 -5.695 230 HA TRP 30 HA TRP 30 9.314 3.256 -8.089 231 1HB TRP 30 1HB TRP 30 6.594 3.596 -7.033 232 2HB TRP 30 2HB TRP 30 6.979 4.728 -8.330 233 HD1 TRP 30 HD1 TRP 30 5.158 1.858 -8.274 234 HE1 TRP 30 HE1 TRP 30 5.565 0.258 -10.256 235 HE3 TRP 30 HE3 TRP 30 9.663 3.615 -9.919 236 HZ2 TRP 30 HZ2 TRP 30 7.538 -0.214 -12.268 237 HZ3 TRP 30 HZ3 TRP 30 10.784 2.571 -11.868 238 HH2 TRP 30 HH2 TRP 30 9.727 0.661 -13.045 239 H LYS 31 H LYS 31 9.479 5.392 -9.269 240 HA LYS 31 HA LYS 31 10.704 7.415 -7.548 241 1HB LYS 31 1HB LYS 31 11.690 6.936 -9.682 242 2HB LYS 31 2HB LYS 31 10.143 7.126 -10.509 243 1HG LYS 31 1HG LYS 31 10.623 9.299 -10.837 244 2HG LYS 31 2HG LYS 31 10.603 9.539 -9.089 245 1HD LYS 31 1HD LYS 31 13.007 8.700 -9.066 246 2HD LYS 31 2HD LYS 31 12.975 8.820 -10.826 247 1HE LYS 31 1HE LYS 31 12.223 11.253 -10.514 248 2HE LYS 31 2HE LYS 31 12.678 11.061 -8.809 249 1HZ LYS 31 1HZ LYS 31 14.797 9.990 -9.892 250 2HZ LYS 31 2HZ LYS 31 14.373 10.987 -11.200 251 3HZ LYS 31 3HZ LYS 31 14.684 11.672 -9.680 252 H HIS 32 H HIS 32 8.726 7.997 -6.293 253 HA HIS 32 HA HIS 32 7.123 10.056 -7.744 254 1HB HIS 32 1HB HIS 32 6.056 7.687 -7.537 255 2HB HIS 32 2HB HIS 32 5.858 8.095 -5.832 256 HD1 HIS 32 HD1 HIS 32 4.941 9.444 -9.270 257 HD2 HIS 32 HD2 HIS 32 3.687 9.761 -5.306 258 HE1 HIS 32 HE1 HIS 32 2.816 10.821 -9.298 259 H ILE 33 H ILE 33 7.319 8.531 -4.500 260 HA ILE 33 HA ILE 33 7.612 11.289 -3.348 261 HB ILE 33 HB ILE 33 6.356 8.914 -1.964 262 1HG1 ILE 33 1HG1 ILE 33 5.216 9.275 -4.160 263 2HG1 ILE 33 2HG1 ILE 33 4.173 9.646 -2.787 264 1HG2 ILE 33 1HG2 ILE 33 6.635 11.829 -1.524 265 2HG2 ILE 33 2HG2 ILE 33 5.039 11.165 -1.172 266 3HG2 ILE 33 3HG2 ILE 33 6.462 10.524 -0.350 267 1HD1 ILE 33 1HD1 ILE 33 5.047 12.074 -3.053 268 2HD1 ILE 33 2HD1 ILE 33 5.568 11.554 -4.655 269 3HD1 ILE 33 3HD1 ILE 33 3.860 11.490 -4.220 270 H GLY 34 H GLY 34 7.955 7.930 -2.135 271 1HA GLY 34 1HA GLY 34 10.658 7.585 -1.983 272 2HA GLY 34 2HA GLY 34 10.367 8.709 -0.656 273 H GLY 35 H GLY 35 9.764 5.453 -1.829 274 1HA GLY 35 1HA GLY 35 8.466 4.739 0.751 275 2HA GLY 35 2HA GLY 35 8.516 3.715 -0.686 276 H SER 36 H SER 36 9.630 3.710 2.321 277 HA SER 36 HA SER 36 12.451 3.002 1.739 278 1HB SER 36 1HB SER 36 11.973 2.575 4.419 279 2HB SER 36 2HB SER 36 12.495 4.108 3.727 280 HG SER 36 HG SER 36 10.448 3.953 5.080 281 H TYR 37 H TYR 37 9.598 1.464 3.295 282 HA TYR 37 HA TYR 37 10.649 -1.177 2.361 283 1HB TYR 37 1HB TYR 37 11.157 -0.419 4.824 284 2HB TYR 37 2HB TYR 37 9.459 -0.805 5.102 285 HD1 TYR 37 HD1 TYR 37 8.617 -3.109 4.782 286 HD2 TYR 37 HD2 TYR 37 12.783 -2.152 4.362 287 HE1 TYR 37 HE1 TYR 37 9.183 -5.520 4.914 288 HE2 TYR 37 HE2 TYR 37 13.350 -4.563 4.494 289 HH TYR 37 HH TYR 37 11.219 -6.977 4.030 290 H GLY 38 H GLY 38 8.947 -2.804 2.155 291 1HA GLY 38 1HA GLY 38 6.186 -2.167 2.751 292 2HA GLY 38 2HA GLY 38 6.536 -1.964 1.035 293 H TYR 39 H TYR 39 5.432 -4.146 3.256 294 HA TYR 39 HA TYR 39 6.087 -6.446 1.453 295 1HB TYR 39 1HB TYR 39 6.590 -7.795 3.372 296 2HB TYR 39 2HB TYR 39 7.454 -6.277 3.617 297 HD1 TYR 39 HD1 TYR 39 6.281 -4.444 5.001 298 HD2 TYR 39 HD2 TYR 39 5.034 -8.555 4.974 299 HE1 TYR 39 HE1 TYR 39 5.066 -4.090 7.131 300 HE2 TYR 39 HE2 TYR 39 3.815 -8.199 7.104 301 HH TYR 39 HH TYR 39 4.110 -5.197 8.907 302 H CYS 40 H CYS 40 4.479 -8.323 2.007 303 HA CYS 40 HA CYS 40 1.758 -7.187 2.007 304 1HB CYS 40 1HB CYS 40 2.342 -8.877 0.386 305 2HB CYS 40 2HB CYS 40 2.950 -9.948 1.646 306 H TYR 41 H TYR 41 0.356 -7.294 3.738 307 HA TYR 41 HA TYR 41 1.009 -9.138 5.995 308 1HB TYR 41 1HB TYR 41 1.992 -6.921 6.458 309 2HB TYR 41 2HB TYR 41 0.423 -6.164 6.178 310 HD1 TYR 41 HD1 TYR 41 1.140 -9.387 7.907 311 HD2 TYR 41 HD2 TYR 41 -0.158 -5.312 8.318 312 HE1 TYR 41 HE1 TYR 41 0.485 -9.833 10.256 313 HE2 TYR 41 HE2 TYR 41 -0.810 -5.759 10.669 314 HH TYR 41 HH TYR 41 -1.496 -8.331 11.925 315 H GLY 42 H GLY 42 -0.842 -9.870 7.104 316 1HA GLY 42 1HA GLY 42 -3.103 -10.552 7.154 317 2HA GLY 42 2HA GLY 42 -3.377 -8.816 7.297 318 H PHE 43 H PHE 43 -2.090 -10.595 4.501 319 HA PHE 43 HA PHE 43 -2.904 -10.742 2.288 320 1HB PHE 43 1HB PHE 43 -5.595 -10.234 3.577 321 2HB PHE 43 2HB PHE 43 -5.250 -11.192 2.136 322 HD1 PHE 43 HD1 PHE 43 -3.256 -13.033 2.661 323 HD2 PHE 43 HD2 PHE 43 -6.129 -11.492 5.458 324 HE1 PHE 43 HE1 PHE 43 -2.972 -15.055 4.066 325 HE2 PHE 43 HE2 PHE 43 -5.843 -13.514 6.865 326 HZ PHE 43 HZ PHE 43 -4.264 -15.296 6.170 327 H GLY 44 H GLY 44 -1.965 -8.176 3.079 328 1HA GLY 44 1HA GLY 44 -3.460 -6.513 1.182 329 2HA GLY 44 2HA GLY 44 -3.498 -5.927 2.845 330 H CYS 45 H CYS 45 -2.062 -5.078 0.197 331 HA CYS 45 HA CYS 45 0.771 -5.271 0.710 332 1HB CYS 45 1HB CYS 45 -1.079 -4.144 -1.197 333 2HB CYS 45 2HB CYS 45 0.148 -2.944 -0.793 334 H TYR 46 H TYR 46 1.787 -4.279 2.410 335 HA TYR 46 HA TYR 46 0.690 -1.656 3.369 336 1HB TYR 46 1HB TYR 46 0.527 -3.859 4.755 337 2HB TYR 46 2HB TYR 46 2.254 -3.629 5.024 338 HD1 TYR 46 HD1 TYR 46 -0.893 -1.575 5.046 339 HD2 TYR 46 HD2 TYR 46 2.871 -2.441 6.926 340 HE1 TYR 46 HE1 TYR 46 -1.392 0.093 6.811 341 HE2 TYR 46 HE2 TYR 46 2.371 -0.772 8.693 342 HH TYR 46 HH TYR 46 -0.258 1.444 8.436 343 H CYS 47 H CYS 47 2.164 0.024 3.507 344 HA CYS 47 HA CYS 47 5.048 -0.627 2.970 345 1HB CYS 47 1HB CYS 47 3.173 1.543 2.046 346 2HB CYS 47 2HB CYS 47 4.912 1.839 2.071 347 H GLU 48 H GLU 48 6.591 0.526 4.238 348 HA GLU 48 HA GLU 48 5.439 2.066 6.544 349 1HB GLU 48 1HB GLU 48 7.762 0.122 6.364 350 2HB GLU 48 2HB GLU 48 7.383 1.070 7.803 351 1HG GLU 48 1HG GLU 48 5.776 -0.387 8.402 352 2HG GLU 48 2HG GLU 48 4.998 -0.235 6.826 353 H GLY 49 H GLY 49 6.100 4.172 6.499 354 1HA GLY 49 1HA GLY 49 8.159 5.622 6.691 355 2HA GLY 49 2HA GLY 49 8.761 4.771 5.268 356 H LEU 50 H LEU 50 5.378 5.580 5.455 357 HA LEU 50 HA LEU 50 5.668 7.313 3.088 358 1HB LEU 50 1HB LEU 50 3.155 6.599 4.607 359 2HB LEU 50 2HB LEU 50 3.311 7.004 2.902 360 HG LEU 50 HG LEU 50 3.169 4.728 2.697 361 1HD1 LEU 50 1HD1 LEU 50 5.690 5.631 2.310 362 2HD1 LEU 50 2HD1 LEU 50 5.991 4.376 3.510 363 3HD1 LEU 50 3HD1 LEU 50 5.197 3.969 1.990 364 1HD2 LEU 50 1HD2 LEU 50 3.314 4.762 5.431 365 2HD2 LEU 50 2HD2 LEU 50 3.177 3.301 4.451 366 3HD2 LEU 50 3HD2 LEU 50 4.761 3.849 5.002 367 HA PRO 51 HA PRO 51 5.838 10.812 5.965 368 1HB PRO 51 1HB PRO 51 5.789 12.526 3.651 369 2HB PRO 51 2HB PRO 51 7.158 12.159 4.706 370 1HG PRO 51 1HG PRO 51 6.729 11.269 2.016 371 2HG PRO 51 2HG PRO 51 8.081 10.881 3.082 372 1HD PRO 51 1HD PRO 51 5.939 9.142 2.237 373 2HD PRO 51 2HD PRO 51 7.303 8.753 3.312 374 H ASP 52 H ASP 52 4.450 12.930 6.001 375 HA ASP 52 HA ASP 52 1.656 12.212 5.842 376 1HB ASP 52 1HB ASP 52 3.003 14.913 6.169 377 2HB ASP 52 2HB ASP 52 1.365 14.495 6.671 378 H SER 53 H SER 53 3.877 13.476 3.531 379 HA SER 53 HA SER 53 1.849 14.913 1.947 380 1HB SER 53 1HB SER 53 4.785 14.383 1.900 381 2HB SER 53 2HB SER 53 4.018 14.787 0.367 382 HG SER 53 HG SER 53 3.347 16.320 2.596 383 H THR 54 H THR 54 2.776 11.672 2.326 384 HA THR 54 HA THR 54 2.297 10.887 -0.484 385 HB THR 54 HB THR 54 2.486 8.906 1.728 386 HG1 THR 54 HG1 THR 54 4.603 10.648 1.003 387 1HG2 THR 54 1HG2 THR 54 2.595 8.530 -0.831 388 2HG2 THR 54 2HG2 THR 54 4.227 9.189 -0.715 389 3HG2 THR 54 3HG2 THR 54 3.803 7.724 0.171 390 H GLN 55 H GLN 55 0.595 9.282 -0.991 391 HA GLN 55 HA GLN 55 -1.891 9.813 0.559 392 1HB GLN 55 1HB GLN 55 -1.741 10.189 -1.906 393 2HB GLN 55 2HB GLN 55 -1.409 8.470 -2.120 394 1HG GLN 55 1HG GLN 55 -3.660 8.262 -2.312 395 2HG GLN 55 2HG GLN 55 -3.666 8.415 -0.554 396 1HE2 GLN 55 2HE2 GLN 55 -5.958 9.348 -1.346 397 2HE2 GLN 55 1HE2 GLN 55 -6.001 11.030 -1.564 398 H THR 56 H THR 56 -3.229 8.029 1.264 399 HA THR 56 HA THR 56 -2.195 5.276 1.022 400 HB THR 56 HB THR 56 -0.883 6.410 2.834 401 HG1 THR 56 HG1 THR 56 -0.974 4.684 4.062 402 1HG2 THR 56 1HG2 THR 56 -3.324 7.552 3.466 403 2HG2 THR 56 2HG2 THR 56 -3.096 6.359 4.744 404 3HG2 THR 56 3HG2 THR 56 -1.877 7.604 4.473 405 H TRP 57 H TRP 57 -3.663 3.753 2.269 406 HA TRP 57 HA TRP 57 -6.484 4.460 1.808 407 1HB TRP 57 1HB TRP 57 -5.116 2.277 1.336 408 2HB TRP 57 2HB TRP 57 -5.369 1.941 3.046 409 HD1 TRP 57 HD1 TRP 57 -7.209 2.218 -0.270 410 HE1 TRP 57 HE1 TRP 57 -9.574 1.227 0.001 411 HE3 TRP 57 HE3 TRP 57 -7.286 1.488 4.783 412 HZ2 TRP 57 HZ2 TRP 57 -11.273 0.256 2.086 413 HZ3 TRP 57 HZ3 TRP 57 -9.289 0.531 5.885 414 HH2 TRP 57 HH2 TRP 57 -11.282 -0.086 4.544 415 HA PRO 58 HA PRO 58 -8.236 3.904 2.267 416 1HB PRO 58 1HB PRO 58 -10.580 4.416 3.627 417 2HB PRO 58 2HB PRO 58 -9.818 2.823 3.554 418 1HG PRO 58 1HG PRO 58 -10.087 4.611 5.846 419 2HG PRO 58 2HG PRO 58 -9.556 2.926 5.814 420 1HD PRO 58 1HD PRO 58 -7.919 5.347 6.018 421 2HD PRO 58 2HD PRO 58 -7.413 3.645 6.194 422 H LEU 59 H LEU 59 -8.034 5.827 0.987 423 HA LEU 59 HA LEU 59 -9.392 8.239 2.126 424 1HB LEU 59 1HB LEU 59 -6.758 8.059 2.046 425 2HB LEU 59 2HB LEU 59 -6.997 8.505 0.354 426 HG LEU 59 HG LEU 59 -7.955 10.044 2.784 427 1HD1 LEU 59 1HD1 LEU 59 -5.931 10.618 0.603 428 2HD1 LEU 59 2HD1 LEU 59 -6.481 11.810 1.779 429 3HD1 LEU 59 3HD1 LEU 59 -5.597 10.383 2.317 430 1HD2 LEU 59 1HD2 LEU 59 -9.620 10.100 0.954 431 2HD2 LEU 59 2HD2 LEU 59 -8.837 11.667 1.142 432 3HD2 LEU 59 3HD2 LEU 59 -8.360 10.598 -0.176 433 HA PRO 60 HA PRO 60 -10.679 7.491 -2.325 434 1HB PRO 60 1HB PRO 60 -13.105 6.296 -1.834 435 2HB PRO 60 2HB PRO 60 -11.612 5.399 -2.079 436 1HG PRO 60 1HG PRO 60 -13.153 5.748 0.395 437 2HG PRO 60 2HG PRO 60 -11.886 4.574 0.031 438 1HD PRO 60 1HD PRO 60 -11.670 7.000 1.598 439 2HD PRO 60 2HD PRO 60 -10.407 5.803 1.242 440 H ASN 61 H ASN 61 -12.691 8.530 -3.361 441 HA ASN 61 HA ASN 61 -13.447 11.013 -2.153 442 1HB ASN 61 1HB ASN 61 -13.655 10.540 -4.552 443 2HB ASN 61 2HB ASN 61 -14.795 9.234 -4.224 444 1HD2 ASN 61 2HD2 ASN 61 -14.586 12.552 -4.965 445 2HD2 ASN 61 1HD2 ASN 61 -16.176 12.988 -4.562 446 H LYS 62 H LYS 62 -14.711 7.778 -2.050 447 HA LYS 62 HA LYS 62 -16.344 8.353 0.348 448 1HB LYS 62 1HB LYS 62 -17.357 8.000 -2.371 449 2HB LYS 62 2HB LYS 62 -17.980 6.750 -1.293 450 1HG LYS 62 1HG LYS 62 -18.414 8.755 0.341 451 2HG LYS 62 2HG LYS 62 -18.323 9.730 -1.126 452 1HD LYS 62 1HD LYS 62 -20.546 9.235 -1.285 453 2HD LYS 62 2HD LYS 62 -19.951 7.724 -1.975 454 1HE LYS 62 1HE LYS 62 -21.641 7.414 -0.104 455 2HE LYS 62 2HE LYS 62 -20.082 6.622 0.199 456 1HZ LYS 62 1HZ LYS 62 -20.146 9.394 0.972 457 2HZ LYS 62 2HZ LYS 62 -21.237 8.435 1.847 458 3HZ LYS 62 3HZ LYS 62 -19.585 8.041 1.833 459 H THR 63 H THR 63 -17.149 5.981 1.136 460 HA THR 63 HA THR 63 -14.854 4.327 1.347 461 HB THR 63 HB THR 63 -17.599 3.191 1.393 462 HG1 THR 63 HG1 THR 63 -16.687 4.858 3.461 463 1HG2 THR 63 1HG2 THR 63 -15.048 2.927 2.918 464 2HG2 THR 63 2HG2 THR 63 -16.559 2.530 3.737 465 3HG2 THR 63 3HG2 THR 63 -16.097 1.666 2.270 466 H CYS 64 H CYS 64 -14.121 2.628 0.108 467 HA CYS 64 HA CYS 64 -15.172 2.381 -2.630 468 1HB CYS 64 1HB CYS 64 -12.704 2.458 -1.650 469 2HB CYS 64 2HB CYS 64 -12.959 0.725 -1.473 Start of MODEL 15 1 1H LYS 1 1H LYS 1 4.747 6.826 9.054 2 2H LYS 1 2H LYS 1 4.433 7.933 10.299 3 3H LYS 1 3H LYS 1 5.505 6.641 10.563 4 HA LYS 1 HA LYS 1 3.666 5.758 11.561 5 1HB LYS 1 1HB LYS 1 1.408 6.461 10.867 6 2HB LYS 1 2HB LYS 1 2.440 7.871 11.106 7 1HG LYS 1 1HG LYS 1 2.729 8.191 8.770 8 2HG LYS 1 2HG LYS 1 2.112 6.582 8.395 9 1HD LYS 1 1HD LYS 1 0.027 7.723 9.812 10 2HD LYS 1 2HD LYS 1 0.643 9.074 8.863 11 1HE LYS 1 1HE LYS 1 0.510 6.623 7.274 12 2HE LYS 1 2HE LYS 1 -1.075 7.078 7.925 13 1HZ LYS 1 1HZ LYS 1 0.239 9.420 7.135 14 2HZ LYS 1 2HZ LYS 1 0.366 8.317 5.854 15 3HZ LYS 1 3HZ LYS 1 -1.161 8.732 6.467 16 H ASP 2 H ASP 2 1.625 4.360 10.515 17 HA ASP 2 HA ASP 2 2.762 2.905 8.148 18 1HB ASP 2 1HB ASP 2 1.264 1.701 10.491 19 2HB ASP 2 2HB ASP 2 2.204 0.850 9.264 20 H GLY 3 H GLY 3 1.222 2.279 6.595 21 1HA GLY 3 1HA GLY 3 -1.630 2.316 7.163 22 2HA GLY 3 2HA GLY 3 -1.121 3.704 6.201 23 H TYR 4 H TYR 4 -2.832 2.165 4.914 24 HA TYR 4 HA TYR 4 -1.265 0.255 3.228 25 1HB TYR 4 1HB TYR 4 -4.186 0.636 3.902 26 2HB TYR 4 2HB TYR 4 -3.673 -0.403 2.575 27 HD1 TYR 4 HD1 TYR 4 -3.532 0.113 6.236 28 HD2 TYR 4 HD2 TYR 4 -2.597 -2.522 2.976 29 HE1 TYR 4 HE1 TYR 4 -3.067 -1.714 7.847 30 HE2 TYR 4 HE2 TYR 4 -2.131 -4.349 4.586 31 HH TYR 4 HH TYR 4 -1.827 -4.854 6.754 32 H LEU 5 H LEU 5 -0.737 0.967 1.193 33 HA LEU 5 HA LEU 5 -1.753 3.512 0.180 34 1HB LEU 5 1HB LEU 5 0.198 1.387 -0.600 35 2HB LEU 5 2HB LEU 5 -0.379 2.464 -1.871 36 HG LEU 5 HG LEU 5 0.375 3.829 0.633 37 1HD1 LEU 5 1HD1 LEU 5 2.428 2.385 -1.070 38 2HD1 LEU 5 2HD1 LEU 5 2.820 3.659 0.084 39 3HD1 LEU 5 3HD1 LEU 5 2.123 2.141 0.649 40 1HD2 LEU 5 1HD2 LEU 5 -0.244 4.896 -1.577 41 2HD2 LEU 5 2HD2 LEU 5 1.310 5.423 -0.930 42 3HD2 LEU 5 3HD2 LEU 5 1.254 4.243 -2.240 43 H VAL 6 H VAL 6 -3.344 3.782 -1.386 44 HA VAL 6 HA VAL 6 -5.017 1.432 -2.027 45 HB VAL 6 HB VAL 6 -6.550 3.160 -2.861 46 1HG1 VAL 6 1HG1 VAL 6 -5.786 2.828 -0.271 47 2HG1 VAL 6 2HG1 VAL 6 -5.503 4.556 -0.474 48 3HG1 VAL 6 3HG1 VAL 6 -7.105 3.883 -0.775 49 1HG2 VAL 6 1HG2 VAL 6 -4.359 4.518 -3.647 50 2HG2 VAL 6 2HG2 VAL 6 -5.912 5.310 -3.384 51 3HG2 VAL 6 3HG2 VAL 6 -4.674 5.358 -2.129 52 H GLU 7 H GLU 7 -5.958 1.768 -4.472 53 HA GLU 7 HA GLU 7 -3.579 1.424 -6.223 54 1HB GLU 7 1HB GLU 7 -5.711 -0.113 -5.902 55 2HB GLU 7 2HB GLU 7 -6.436 1.013 -7.051 56 1HG GLU 7 1HG GLU 7 -3.734 0.086 -7.789 57 2HG GLU 7 2HG GLU 7 -4.961 -1.181 -7.770 58 H LYS 8 H LYS 8 -4.012 2.285 -8.570 59 HA LYS 8 HA LYS 8 -4.055 5.102 -8.597 60 1HB LYS 8 1HB LYS 8 -3.220 3.567 -10.373 61 2HB LYS 8 2HB LYS 8 -4.888 3.150 -10.768 62 1HG LYS 8 1HG LYS 8 -5.163 5.772 -10.970 63 2HG LYS 8 2HG LYS 8 -3.419 5.721 -11.229 64 1HD LYS 8 1HD LYS 8 -3.614 4.435 -13.180 65 2HD LYS 8 2HD LYS 8 -5.227 3.862 -12.754 66 1HE LYS 8 1HE LYS 8 -4.673 6.788 -13.315 67 2HE LYS 8 2HE LYS 8 -5.143 5.650 -14.594 68 1HZ LYS 8 1HZ LYS 8 -7.031 4.978 -13.165 69 2HZ LYS 8 2HZ LYS 8 -6.631 6.229 -12.088 70 3HZ LYS 8 3HZ LYS 8 -7.124 6.598 -13.668 71 H THR 9 H THR 9 -6.723 2.787 -8.958 72 HA THR 9 HA THR 9 -8.693 4.884 -9.540 73 HB THR 9 HB THR 9 -10.197 2.771 -9.183 74 HG1 THR 9 HG1 THR 9 -7.831 1.373 -9.622 75 1HG2 THR 9 1HG2 THR 9 -8.392 3.580 -11.323 76 2HG2 THR 9 2HG2 THR 9 -8.725 1.849 -11.364 77 3HG2 THR 9 3HG2 THR 9 -10.056 3.004 -11.422 78 H GLY 10 H GLY 10 -7.520 3.137 -6.726 79 1HA GLY 10 1HA GLY 10 -7.865 4.413 -4.566 80 2HA GLY 10 2HA GLY 10 -9.548 4.582 -5.065 81 H CYS 11 H CYS 11 -7.869 1.593 -5.705 82 HA CYS 11 HA CYS 11 -9.565 0.279 -3.610 83 1HB CYS 11 1HB CYS 11 -8.338 -0.944 -6.097 84 2HB CYS 11 2HB CYS 11 -9.655 -1.589 -5.118 85 H LYS 12 H LYS 12 -8.544 -1.710 -2.636 86 HA LYS 12 HA LYS 12 -5.843 -1.151 -1.724 87 1HB LYS 12 1HB LYS 12 -7.947 -3.262 -1.349 88 2HB LYS 12 2HB LYS 12 -6.316 -3.568 -0.755 89 1HG LYS 12 1HG LYS 12 -6.386 -1.751 0.744 90 2HG LYS 12 2HG LYS 12 -7.737 -0.992 -0.100 91 1HD LYS 12 1HD LYS 12 -8.669 -1.966 1.875 92 2HD LYS 12 2HD LYS 12 -9.118 -3.040 0.549 93 1HE LYS 12 1HE LYS 12 -7.283 -4.564 1.104 94 2HE LYS 12 2HE LYS 12 -6.722 -3.462 2.375 95 1HZ LYS 12 1HZ LYS 12 -9.364 -3.709 2.909 96 2HZ LYS 12 2HZ LYS 12 -8.962 -5.277 2.390 97 3HZ LYS 12 3HZ LYS 12 -8.130 -4.577 3.691 98 H LYS 13 H LYS 13 -4.458 -3.430 -1.655 99 HA LYS 13 HA LYS 13 -4.273 -4.455 -4.467 100 1HB LYS 13 1HB LYS 13 -1.965 -3.650 -2.663 101 2HB LYS 13 2HB LYS 13 -1.868 -4.110 -4.362 102 1HG LYS 13 1HG LYS 13 -3.764 -2.029 -4.252 103 2HG LYS 13 2HG LYS 13 -2.435 -1.513 -3.215 104 1HD LYS 13 1HD LYS 13 -1.612 -2.751 -5.771 105 2HD LYS 13 2HD LYS 13 -2.454 -1.209 -5.927 106 1HE LYS 13 1HE LYS 13 -0.497 -1.134 -3.761 107 2HE LYS 13 2HE LYS 13 0.254 -1.523 -5.322 108 1HZ LYS 13 1HZ LYS 13 -1.666 0.698 -4.845 109 2HZ LYS 13 2HZ LYS 13 0.014 0.880 -5.028 110 3HZ LYS 13 3HZ LYS 13 -0.929 0.321 -6.326 111 H THR 14 H THR 14 -5.601 -5.962 -2.683 112 HA THR 14 HA THR 14 -4.373 -7.586 -0.804 113 HB THR 14 HB THR 14 -6.441 -8.124 -2.941 114 HG1 THR 14 HG1 THR 14 -7.318 -6.829 -1.496 115 1HG2 THR 14 1HG2 THR 14 -5.342 -10.257 -2.210 116 2HG2 THR 14 2HG2 THR 14 -5.815 -9.879 -0.553 117 3HG2 THR 14 3HG2 THR 14 -7.049 -10.160 -1.780 118 H CYS 15 H CYS 15 -3.332 -9.653 -0.892 119 HA CYS 15 HA CYS 15 -2.282 -10.575 -3.522 120 1HB CYS 15 1HB CYS 15 0.003 -10.564 -2.622 121 2HB CYS 15 2HB CYS 15 -0.682 -8.942 -2.543 122 H TYR 16 H TYR 16 -2.544 -12.785 -3.583 123 HA TYR 16 HA TYR 16 -3.414 -14.276 -1.261 124 1HB TYR 16 1HB TYR 16 -3.050 -14.614 -4.125 125 2HB TYR 16 2HB TYR 16 -2.516 -16.051 -3.251 126 HD1 TYR 16 HD1 TYR 16 -5.170 -13.614 -2.290 127 HD2 TYR 16 HD2 TYR 16 -4.275 -17.602 -3.609 128 HE1 TYR 16 HE1 TYR 16 -7.533 -14.268 -1.916 129 HE2 TYR 16 HE2 TYR 16 -6.637 -18.257 -3.233 130 HH TYR 16 HH TYR 16 -8.834 -17.203 -3.086 131 H LYS 17 H LYS 17 -0.342 -13.284 -2.320 132 HA LYS 17 HA LYS 17 1.008 -15.526 -0.868 133 1HB LYS 17 1HB LYS 17 1.432 -14.609 -3.361 134 2HB LYS 17 2HB LYS 17 2.490 -13.501 -2.486 135 1HG LYS 17 1HG LYS 17 3.920 -15.303 -2.924 136 2HG LYS 17 2HG LYS 17 3.347 -15.669 -1.296 137 1HD LYS 17 1HD LYS 17 1.593 -17.132 -2.250 138 2HD LYS 17 2HD LYS 17 2.199 -16.788 -3.870 139 1HE LYS 17 1HE LYS 17 4.344 -17.822 -3.346 140 2HE LYS 17 2HE LYS 17 3.851 -18.059 -1.657 141 1HZ LYS 17 1HZ LYS 17 1.771 -19.119 -2.887 142 2HZ LYS 17 2HZ LYS 17 2.956 -19.449 -4.060 143 3HZ LYS 17 3HZ LYS 17 3.143 -20.036 -2.480 144 H LEU 18 H LEU 18 0.298 -14.385 1.176 145 HA LEU 18 HA LEU 18 1.172 -11.753 1.877 146 1HB LEU 18 1HB LEU 18 0.476 -14.270 3.407 147 2HB LEU 18 2HB LEU 18 0.853 -12.754 4.226 148 HG LEU 18 HG LEU 18 -1.234 -12.895 2.052 149 1HD1 LEU 18 1HD1 LEU 18 -1.349 -13.889 4.827 150 2HD1 LEU 18 2HD1 LEU 18 -2.645 -12.770 4.402 151 3HD1 LEU 18 3HD1 LEU 18 -2.407 -14.242 3.461 152 1HD2 LEU 18 1HD2 LEU 18 -0.101 -10.739 3.101 153 2HD2 LEU 18 2HD2 LEU 18 -1.835 -10.772 2.783 154 3HD2 LEU 18 3HD2 LEU 18 -1.233 -11.052 4.417 155 H GLY 19 H GLY 19 2.804 -11.494 3.809 156 1HA GLY 19 1HA GLY 19 4.906 -12.098 4.822 157 2HA GLY 19 2HA GLY 19 5.100 -13.353 3.601 158 H GLU 20 H GLU 20 7.296 -12.338 3.484 159 HA GLU 20 HA GLU 20 7.879 -9.738 2.590 160 1HB GLU 20 1HB GLU 20 9.093 -12.464 2.342 161 2HB GLU 20 2HB GLU 20 9.814 -11.145 1.419 162 1HG GLU 20 1HG GLU 20 10.073 -9.824 3.476 163 2HG GLU 20 2HG GLU 20 9.316 -11.116 4.411 164 H ASN 21 H ASN 21 6.033 -9.284 1.066 165 HA ASN 21 HA ASN 21 6.092 -10.687 -1.535 166 1HB ASN 21 1HB ASN 21 4.062 -9.773 -0.137 167 2HB ASN 21 2HB ASN 21 4.487 -8.225 -0.868 168 1HD2 ASN 21 2HD2 ASN 21 2.296 -10.573 -1.347 169 2HD2 ASN 21 1HD2 ASN 21 2.243 -10.619 -3.043 170 H ASP 22 H ASP 22 8.425 -9.901 -1.817 171 HA ASP 22 HA ASP 22 9.465 -7.392 -2.036 172 1HB ASP 22 1HB ASP 22 9.743 -9.948 -3.405 173 2HB ASP 22 2HB ASP 22 10.156 -8.604 -4.469 174 H PHE 23 H PHE 23 7.284 -8.837 -4.491 175 HA PHE 23 HA PHE 23 7.244 -6.796 -6.396 176 1HB PHE 23 1HB PHE 23 5.688 -9.049 -5.629 177 2HB PHE 23 2HB PHE 23 4.564 -7.709 -5.868 178 HD1 PHE 23 HD1 PHE 23 7.350 -9.598 -7.462 179 HD2 PHE 23 HD2 PHE 23 4.073 -6.883 -8.043 180 HE1 PHE 23 HE1 PHE 23 7.603 -9.819 -9.919 181 HE2 PHE 23 HE2 PHE 23 4.325 -7.105 -10.501 182 HZ PHE 23 HZ PHE 23 6.090 -8.573 -11.439 183 H CYS 24 H CYS 24 5.065 -7.005 -3.537 184 HA CYS 24 HA CYS 24 3.946 -4.382 -3.874 185 1HB CYS 24 1HB CYS 24 2.971 -6.188 -2.493 186 2HB CYS 24 2HB CYS 24 4.353 -6.102 -1.400 187 H ASN 25 H ASN 25 6.778 -5.617 -2.126 188 HA ASN 25 HA ASN 25 7.511 -3.242 -0.724 189 1HB ASN 25 1HB ASN 25 8.398 -5.657 -0.584 190 2HB ASN 25 2HB ASN 25 9.391 -5.258 -1.987 191 1HD2 ASN 25 2HD2 ASN 25 9.514 -5.357 1.343 192 2HD2 ASN 25 1HD2 ASN 25 10.711 -4.184 1.610 193 H ARG 26 H ARG 26 8.179 -4.365 -4.031 194 HA ARG 26 HA ARG 26 10.022 -2.342 -4.829 195 1HB ARG 26 1HB ARG 26 9.259 -4.523 -5.973 196 2HB ARG 26 2HB ARG 26 7.870 -3.601 -6.549 197 1HG ARG 26 1HG ARG 26 9.162 -2.918 -8.267 198 2HG ARG 26 2HG ARG 26 10.070 -1.964 -7.097 199 1HD ARG 26 1HD ARG 26 11.848 -3.386 -7.151 200 2HD ARG 26 2HD ARG 26 10.814 -4.824 -7.137 201 HE ARG 26 HE ARG 26 11.994 -3.617 -9.465 202 1HH1 ARG 26 1HH1 ARG 26 8.972 -4.889 -8.357 203 2HH1 ARG 26 2HH1 ARG 26 8.336 -5.086 -9.954 204 1HH2 ARG 26 1HH2 ARG 26 11.172 -3.886 -11.534 205 2HH2 ARG 26 2HH2 ARG 26 9.577 -4.526 -11.746 206 H GLU 27 H GLU 27 6.472 -2.497 -5.346 207 HA GLU 27 HA GLU 27 6.016 -0.008 -6.504 208 1HB GLU 27 1HB GLU 27 4.401 -1.314 -4.288 209 2HB GLU 27 2HB GLU 27 3.785 -0.231 -5.537 210 1HG GLU 27 1HG GLU 27 5.226 -2.362 -6.803 211 2HG GLU 27 2HG GLU 27 4.067 -3.060 -5.672 212 H CYS 28 H CYS 28 6.337 -0.737 -3.015 213 HA CYS 28 HA CYS 28 6.035 1.994 -2.128 214 1HB CYS 28 1HB CYS 28 6.102 -0.481 -0.988 215 2HB CYS 28 2HB CYS 28 7.722 0.092 -0.589 216 H LYS 29 H LYS 29 8.806 -0.039 -3.016 217 HA LYS 29 HA LYS 29 10.753 2.106 -2.455 218 1HB LYS 29 1HB LYS 29 11.407 -0.149 -1.969 219 2HB LYS 29 2HB LYS 29 10.842 -0.721 -3.538 220 1HG LYS 29 1HG LYS 29 12.698 0.063 -4.650 221 2HG LYS 29 2HG LYS 29 12.928 1.410 -3.534 222 1HD LYS 29 1HD LYS 29 14.721 -0.224 -3.228 223 2HD LYS 29 2HD LYS 29 13.690 -0.201 -1.796 224 1HE LYS 29 1HE LYS 29 12.468 -2.188 -2.647 225 2HE LYS 29 2HE LYS 29 13.539 -2.225 -4.062 226 1HZ LYS 29 1HZ LYS 29 15.034 -1.949 -1.659 227 2HZ LYS 29 2HZ LYS 29 14.049 -3.328 -1.582 228 3HZ LYS 29 3HZ LYS 29 15.150 -3.145 -2.861 229 H TRP 30 H TRP 30 8.996 3.135 -4.220 230 HA TRP 30 HA TRP 30 10.542 3.868 -6.498 231 1HB TRP 30 1HB TRP 30 10.304 1.927 -7.664 232 2HB TRP 30 2HB TRP 30 9.050 1.344 -6.581 233 HD1 TRP 30 HD1 TRP 30 7.272 0.566 -8.247 234 HE1 TRP 30 HE1 TRP 30 5.876 1.714 -10.084 235 HE3 TRP 30 HE3 TRP 30 9.619 5.100 -8.441 236 HZ2 TRP 30 HZ2 TRP 30 5.767 4.215 -11.453 237 HZ3 TRP 30 HZ3 TRP 30 8.846 6.845 -10.022 238 HH2 TRP 30 HH2 TRP 30 6.925 6.410 -11.527 239 H LYS 31 H LYS 31 9.680 5.864 -5.690 240 HA LYS 31 HA LYS 31 7.289 6.829 -6.954 241 1HB LYS 31 1HB LYS 31 5.897 6.988 -4.887 242 2HB LYS 31 2HB LYS 31 6.252 5.311 -5.307 243 1HG LYS 31 1HG LYS 31 8.332 5.639 -3.742 244 2HG LYS 31 2HG LYS 31 7.397 6.984 -3.088 245 1HD LYS 31 1HD LYS 31 6.213 4.222 -3.390 246 2HD LYS 31 2HD LYS 31 7.091 4.706 -1.938 247 1HE LYS 31 1HE LYS 31 5.405 6.079 -1.220 248 2HE LYS 31 2HE LYS 31 5.028 6.632 -2.863 249 1HZ LYS 31 1HZ LYS 31 4.452 3.973 -2.928 250 2HZ LYS 31 2HZ LYS 31 3.917 4.432 -1.386 251 3HZ LYS 31 3HZ LYS 31 3.315 5.223 -2.763 252 H HIS 32 H HIS 32 6.886 9.120 -6.307 253 HA HIS 32 HA HIS 32 9.359 10.367 -5.218 254 1HB HIS 32 1HB HIS 32 7.902 10.882 -7.421 255 2HB HIS 32 2HB HIS 32 7.065 11.943 -6.287 256 HD1 HIS 32 HD1 HIS 32 10.172 11.640 -8.251 257 HD2 HIS 32 HD2 HIS 32 8.839 13.901 -5.012 258 HE1 HIS 32 HE1 HIS 32 11.819 13.545 -7.980 259 H ILE 33 H ILE 33 7.527 9.049 -3.363 260 HA ILE 33 HA ILE 33 6.344 11.398 -1.922 261 HB ILE 33 HB ILE 33 5.753 8.432 -2.009 262 1HG1 ILE 33 1HG1 ILE 33 3.401 9.651 -2.365 263 2HG1 ILE 33 2HG1 ILE 33 4.443 10.967 -2.903 264 1HG2 ILE 33 1HG2 ILE 33 5.493 10.187 0.237 265 2HG2 ILE 33 2HG2 ILE 33 3.877 9.835 -0.376 266 3HG2 ILE 33 3HG2 ILE 33 4.951 8.515 0.091 267 1HD1 ILE 33 1HD1 ILE 33 4.769 8.146 -3.936 268 2HD1 ILE 33 2HD1 ILE 33 3.684 9.305 -4.705 269 3HD1 ILE 33 3HD1 ILE 33 5.413 9.638 -4.622 270 H GLY 34 H GLY 34 8.390 8.514 -1.560 271 1HA GLY 34 1HA GLY 34 10.352 8.616 -0.083 272 2HA GLY 34 2HA GLY 34 9.442 9.701 0.969 273 H GLY 35 H GLY 35 9.919 6.360 0.033 274 1HA GLY 35 1HA GLY 35 8.154 5.547 2.310 275 2HA GLY 35 2HA GLY 35 8.385 4.558 0.868 276 H SER 36 H SER 36 9.056 4.217 3.869 277 HA SER 36 HA SER 36 11.995 3.868 3.776 278 1HB SER 36 1HB SER 36 11.778 3.973 6.050 279 2HB SER 36 2HB SER 36 10.161 4.571 5.692 280 HG SER 36 HG SER 36 10.090 2.806 7.123 281 H TYR 37 H TYR 37 9.160 1.792 4.500 282 HA TYR 37 HA TYR 37 10.335 -0.442 2.975 283 1HB TYR 37 1HB TYR 37 11.017 -0.076 5.646 284 2HB TYR 37 2HB TYR 37 9.703 -1.248 5.726 285 HD1 TYR 37 HD1 TYR 37 12.993 -0.547 4.115 286 HD2 TYR 37 HD2 TYR 37 10.022 -3.502 5.061 287 HE1 TYR 37 HE1 TYR 37 14.536 -2.338 3.367 288 HE2 TYR 37 HE2 TYR 37 11.566 -5.293 4.314 289 HH TYR 37 HH TYR 37 13.622 -5.773 3.620 290 H GLY 38 H GLY 38 8.727 -2.173 2.684 291 1HA GLY 38 1HA GLY 38 6.131 -1.984 3.966 292 2HA GLY 38 2HA GLY 38 6.089 -1.373 2.315 293 H TYR 39 H TYR 39 4.698 -3.684 3.303 294 HA TYR 39 HA TYR 39 5.556 -5.631 1.283 295 1HB TYR 39 1HB TYR 39 6.043 -7.401 2.859 296 2HB TYR 39 2HB TYR 39 6.983 -5.995 3.358 297 HD1 TYR 39 HD1 TYR 39 6.019 -4.470 5.170 298 HD2 TYR 39 HD2 TYR 39 4.466 -8.384 4.322 299 HE1 TYR 39 HE1 TYR 39 4.913 -4.512 7.391 300 HE2 TYR 39 HE2 TYR 39 3.358 -8.425 6.541 301 HH TYR 39 HH TYR 39 3.036 -5.641 8.486 302 H CYS 40 H CYS 40 3.999 -7.779 1.974 303 HA CYS 40 HA CYS 40 1.286 -6.619 1.826 304 1HB CYS 40 1HB CYS 40 2.692 -8.906 0.861 305 2HB CYS 40 2HB CYS 40 1.340 -9.483 1.838 306 H TYR 41 H TYR 41 -0.180 -6.674 3.483 307 HA TYR 41 HA TYR 41 0.201 -8.541 5.758 308 1HB TYR 41 1HB TYR 41 1.517 -6.371 6.089 309 2HB TYR 41 2HB TYR 41 -0.041 -5.547 6.157 310 HD1 TYR 41 HD1 TYR 41 1.325 -8.766 7.532 311 HD2 TYR 41 HD2 TYR 41 -0.713 -5.071 8.334 312 HE1 TYR 41 HE1 TYR 41 1.085 -9.416 9.913 313 HE2 TYR 41 HE2 TYR 41 -0.953 -5.720 10.715 314 HH TYR 41 HH TYR 41 -1.012 -8.155 11.959 315 H GLY 42 H GLY 42 -1.817 -9.365 6.146 316 1HA GLY 42 1HA GLY 42 -4.149 -9.453 6.421 317 2HA GLY 42 2HA GLY 42 -4.132 -7.690 6.510 318 H PHE 43 H PHE 43 -2.991 -9.721 3.829 319 HA PHE 43 HA PHE 43 -3.641 -9.738 1.558 320 1HB PHE 43 1HB PHE 43 -6.205 -9.283 3.095 321 2HB PHE 43 2HB PHE 43 -6.200 -9.488 1.342 322 HD1 PHE 43 HD1 PHE 43 -4.044 -11.459 0.949 323 HD2 PHE 43 HD2 PHE 43 -7.113 -11.284 3.950 324 HE1 PHE 43 HE1 PHE 43 -3.900 -13.918 1.239 325 HE2 PHE 43 HE2 PHE 43 -6.969 -13.743 4.242 326 HZ PHE 43 HZ PHE 43 -5.361 -15.060 2.887 327 H GLY 44 H GLY 44 -2.316 -7.600 1.584 328 1HA GLY 44 1HA GLY 44 -3.448 -5.678 -0.085 329 2HA GLY 44 2HA GLY 44 -3.759 -5.089 1.550 330 H CYS 45 H CYS 45 -2.013 -3.818 -0.380 331 HA CYS 45 HA CYS 45 0.755 -4.433 0.333 332 1HB CYS 45 1HB CYS 45 -0.784 -2.708 -1.474 333 2HB CYS 45 2HB CYS 45 0.665 -1.923 -0.848 334 H TYR 46 H TYR 46 1.533 -3.875 2.330 335 HA TYR 46 HA TYR 46 0.418 -1.447 3.678 336 1HB TYR 46 1HB TYR 46 0.409 -3.842 4.657 337 2HB TYR 46 2HB TYR 46 2.144 -3.616 4.881 338 HD1 TYR 46 HD1 TYR 46 -0.816 -1.341 5.266 339 HD2 TYR 46 HD2 TYR 46 2.618 -3.143 7.112 340 HE1 TYR 46 HE1 TYR 46 -1.249 -0.045 7.336 341 HE2 TYR 46 HE2 TYR 46 2.188 -1.847 9.181 342 HH TYR 46 HH TYR 46 0.093 -0.764 10.267 343 H CYS 47 H CYS 47 1.808 0.248 4.251 344 HA CYS 47 HA CYS 47 4.741 -0.139 3.830 345 1HB CYS 47 1HB CYS 47 2.822 1.598 2.337 346 2HB CYS 47 2HB CYS 47 4.436 2.239 2.646 347 H GLU 48 H GLU 48 5.985 1.104 5.241 348 HA GLU 48 HA GLU 48 4.484 2.905 7.115 349 1HB GLU 48 1HB GLU 48 7.182 1.679 7.661 350 2HB GLU 48 2HB GLU 48 5.927 2.143 8.808 351 1HG GLU 48 1HG GLU 48 4.520 0.281 8.072 352 2HG GLU 48 2HG GLU 48 5.713 -0.163 6.850 353 H GLY 49 H GLY 49 5.405 4.968 7.550 354 1HA GLY 49 1HA GLY 49 7.268 6.555 7.424 355 2HA GLY 49 2HA GLY 49 7.867 5.670 6.021 356 H LEU 50 H LEU 50 4.465 6.388 6.345 357 HA LEU 50 HA LEU 50 4.593 8.007 3.871 358 1HB LEU 50 1HB LEU 50 2.150 7.267 5.483 359 2HB LEU 50 2HB LEU 50 2.272 7.531 3.744 360 HG LEU 50 HG LEU 50 3.303 5.184 5.345 361 1HD1 LEU 50 1HD1 LEU 50 1.035 5.727 3.623 362 2HD1 LEU 50 2HD1 LEU 50 2.005 4.404 2.976 363 3HD1 LEU 50 3HD1 LEU 50 1.361 4.306 4.615 364 1HD2 LEU 50 1HD2 LEU 50 3.946 5.993 2.493 365 2HD2 LEU 50 2HD2 LEU 50 5.090 5.823 3.823 366 3HD2 LEU 50 3HD2 LEU 50 4.281 4.399 3.170 367 HA PRO 51 HA PRO 51 4.747 11.683 6.515 368 1HB PRO 51 1HB PRO 51 4.166 13.172 4.085 369 2HB PRO 51 2HB PRO 51 5.663 13.130 5.022 370 1HG PRO 51 1HG PRO 51 5.194 11.935 2.482 371 2HG PRO 51 2HG PRO 51 6.639 11.782 3.487 372 1HD PRO 51 1HD PRO 51 4.646 9.766 2.920 373 2HD PRO 51 2HD PRO 51 6.115 9.606 3.914 374 H ASP 52 H ASP 52 3.146 13.538 6.842 375 HA ASP 52 HA ASP 52 0.443 12.528 6.987 376 1HB ASP 52 1HB ASP 52 1.852 15.146 7.492 377 2HB ASP 52 2HB ASP 52 0.103 15.019 7.668 378 H SER 53 H SER 53 2.197 14.305 4.567 379 HA SER 53 HA SER 53 -0.107 15.565 3.307 380 1HB SER 53 1HB SER 53 2.402 14.966 1.819 381 2HB SER 53 2HB SER 53 1.513 16.480 1.949 382 HG SER 53 HG SER 53 2.671 16.988 3.630 383 H THR 54 H THR 54 1.173 12.365 3.287 384 HA THR 54 HA THR 54 0.038 11.743 0.612 385 HB THR 54 HB THR 54 1.238 9.728 2.471 386 HG1 THR 54 HG1 THR 54 2.721 11.252 2.785 387 1HG2 THR 54 1HG2 THR 54 0.430 9.459 -0.013 388 2HG2 THR 54 2HG2 THR 54 1.970 10.228 -0.394 389 3HG2 THR 54 3HG2 THR 54 1.940 8.707 0.499 390 H GLN 55 H GLN 55 -1.765 10.389 0.340 391 HA GLN 55 HA GLN 55 -3.416 9.940 2.781 392 1HB GLN 55 1HB GLN 55 -3.927 10.053 -0.201 393 2HB GLN 55 2HB GLN 55 -5.163 9.516 0.939 394 1HG GLN 55 1HG GLN 55 -4.064 11.895 2.013 395 2HG GLN 55 2HG GLN 55 -4.354 12.206 0.302 396 1HE2 GLN 55 2HE2 GLN 55 -6.103 10.369 2.879 397 2HE2 GLN 55 1HE2 GLN 55 -7.618 11.057 2.540 398 H THR 56 H THR 56 -4.723 7.819 2.705 399 HA THR 56 HA THR 56 -3.375 5.577 1.318 400 HB THR 56 HB THR 56 -3.493 4.703 3.946 401 HG1 THR 56 HG1 THR 56 -3.884 6.934 4.503 402 1HG2 THR 56 1HG2 THR 56 -1.401 5.630 2.060 403 2HG2 THR 56 2HG2 THR 56 -0.917 5.497 3.750 404 3HG2 THR 56 3HG2 THR 56 -1.554 4.088 2.902 405 H TRP 57 H TRP 57 -4.540 3.437 2.151 406 HA TRP 57 HA TRP 57 -7.380 3.751 1.674 407 1HB TRP 57 1HB TRP 57 -5.617 1.810 1.245 408 2HB TRP 57 2HB TRP 57 -6.109 1.302 2.855 409 HD1 TRP 57 HD1 TRP 57 -7.553 1.933 -0.644 410 HE1 TRP 57 HE1 TRP 57 -9.754 0.616 -0.874 411 HE3 TRP 57 HE3 TRP 57 -8.033 0.175 4.128 412 HZ2 TRP 57 HZ2 TRP 57 -11.490 -0.977 0.749 413 HZ3 TRP 57 HZ3 TRP 57 -9.969 -1.240 4.756 414 HH2 TRP 57 HH2 TRP 57 -11.696 -1.818 3.074 415 HA PRO 58 HA PRO 58 -9.208 2.876 2.046 416 1HB PRO 58 1HB PRO 58 -11.454 4.166 3.169 417 2HB PRO 58 2HB PRO 58 -11.168 2.425 3.109 418 1HG PRO 58 1HG PRO 58 -11.110 4.187 5.415 419 2HG PRO 58 2HG PRO 58 -11.004 2.424 5.370 420 1HD PRO 58 1HD PRO 58 -8.878 4.317 5.864 421 2HD PRO 58 2HD PRO 58 -8.772 2.539 5.824 422 H LEU 59 H LEU 59 -10.678 4.597 0.827 423 HA LEU 59 HA LEU 59 -9.174 7.174 0.795 424 1HB LEU 59 1HB LEU 59 -10.908 5.586 -1.094 425 2HB LEU 59 2HB LEU 59 -10.607 7.293 -1.409 426 HG LEU 59 HG LEU 59 -8.134 5.968 -0.710 427 1HD1 LEU 59 1HD1 LEU 59 -9.327 3.966 -1.606 428 2HD1 LEU 59 2HD1 LEU 59 -9.610 4.842 -3.110 429 3HD1 LEU 59 3HD1 LEU 59 -7.964 4.447 -2.616 430 1HD2 LEU 59 1HD2 LEU 59 -9.286 7.605 -2.936 431 2HD2 LEU 59 2HD2 LEU 59 -7.868 7.918 -1.934 432 3HD2 LEU 59 3HD2 LEU 59 -7.781 6.737 -3.241 433 HA PRO 60 HA PRO 60 -12.412 9.693 2.395 434 1HB PRO 60 1HB PRO 60 -12.904 11.129 -0.090 435 2HB PRO 60 2HB PRO 60 -12.124 11.707 1.386 436 1HG PRO 60 1HG PRO 60 -10.865 11.079 -1.090 437 2HG PRO 60 2HG PRO 60 -10.080 11.528 0.425 438 1HD PRO 60 1HD PRO 60 -10.077 8.951 -0.861 439 2HD PRO 60 2HD PRO 60 -9.310 9.396 0.682 440 H ASN 61 H ASN 61 -14.744 10.656 1.322 441 HA ASN 61 HA ASN 61 -16.544 8.534 1.240 442 1HB ASN 61 1HB ASN 61 -16.582 11.209 -0.200 443 2HB ASN 61 2HB ASN 61 -18.004 10.187 0.012 444 1HD2 ASN 61 2HD2 ASN 61 -19.200 10.622 1.869 445 2HD2 ASN 61 1HD2 ASN 61 -18.597 11.382 3.262 446 H LYS 62 H LYS 62 -14.418 9.693 -1.269 447 HA LYS 62 HA LYS 62 -15.732 8.163 -3.423 448 1HB LYS 62 1HB LYS 62 -14.116 10.407 -3.214 449 2HB LYS 62 2HB LYS 62 -13.007 9.183 -3.833 450 1HG LYS 62 1HG LYS 62 -15.655 10.024 -5.042 451 2HG LYS 62 2HG LYS 62 -14.047 10.256 -5.730 452 1HD LYS 62 1HD LYS 62 -14.061 8.194 -6.631 453 2HD LYS 62 2HD LYS 62 -14.477 7.467 -5.078 454 1HE LYS 62 1HE LYS 62 -16.865 8.632 -5.768 455 2HE LYS 62 2HE LYS 62 -16.233 8.156 -7.355 456 1HZ LYS 62 1HZ LYS 62 -15.662 6.125 -5.489 457 2HZ LYS 62 2HZ LYS 62 -17.314 6.495 -5.386 458 3HZ LYS 62 3HZ LYS 62 -16.638 6.041 -6.876 459 H THR 63 H THR 63 -15.386 6.119 -1.917 460 HA THR 63 HA THR 63 -12.628 5.056 -1.952 461 HB THR 63 HB THR 63 -15.079 3.541 -1.110 462 HG1 THR 63 HG1 THR 63 -14.061 5.910 -0.013 463 1HG2 THR 63 1HG2 THR 63 -12.313 3.203 -0.859 464 2HG2 THR 63 2HG2 THR 63 -12.841 3.739 0.736 465 3HG2 THR 63 3HG2 THR 63 -13.561 2.305 0.004 466 H CYS 64 H CYS 64 -12.795 2.456 -2.488 467 HA CYS 64 HA CYS 64 -13.283 2.332 -5.367 468 1HB CYS 64 1HB CYS 64 -11.381 1.280 -4.079 469 2HB CYS 64 2HB CYS 64 -12.548 0.153 -3.387 Start of MODEL 16 1 1H LYS 1 1H LYS 1 5.670 8.197 7.823 2 2H LYS 1 2H LYS 1 4.967 9.677 8.262 3 3H LYS 1 3H LYS 1 5.786 8.749 9.425 4 HA LYS 1 HA LYS 1 3.919 7.681 9.950 5 1HB LYS 1 1HB LYS 1 2.897 9.822 9.437 6 2HB LYS 1 2HB LYS 1 2.878 9.449 7.714 7 1HG LYS 1 1HG LYS 1 1.522 7.305 8.656 8 2HG LYS 1 2HG LYS 1 1.077 8.498 9.876 9 1HD LYS 1 1HD LYS 1 -0.557 8.962 8.323 10 2HD LYS 1 2HD LYS 1 0.713 10.015 7.700 11 1HE LYS 1 1HE LYS 1 1.455 7.996 6.270 12 2HE LYS 1 2HE LYS 1 -0.122 7.291 6.679 13 1HZ LYS 1 1HZ LYS 1 -0.685 9.895 6.080 14 2HZ LYS 1 2HZ LYS 1 0.483 9.471 4.920 15 3HZ LYS 1 3HZ LYS 1 -0.942 8.563 5.058 16 H ASP 2 H ASP 2 2.849 5.735 9.431 17 HA ASP 2 HA ASP 2 3.563 4.552 6.783 18 1HB ASP 2 1HB ASP 2 2.424 3.151 9.210 19 2HB ASP 2 2HB ASP 2 3.418 2.469 7.922 20 H GLY 3 H GLY 3 1.834 3.145 5.779 21 1HA GLY 3 1HA GLY 3 -0.931 3.543 6.599 22 2HA GLY 3 2HA GLY 3 -0.510 4.480 5.165 23 H TYR 4 H TYR 4 -2.416 2.656 4.761 24 HA TYR 4 HA TYR 4 -1.128 0.180 3.716 25 1HB TYR 4 1HB TYR 4 -3.699 0.984 4.854 26 2HB TYR 4 2HB TYR 4 -3.895 0.050 3.370 27 HD1 TYR 4 HD1 TYR 4 -2.128 -2.011 3.208 28 HD2 TYR 4 HD2 TYR 4 -3.599 -0.234 6.832 29 HE1 TYR 4 HE1 TYR 4 -1.585 -4.089 4.448 30 HE2 TYR 4 HE2 TYR 4 -3.056 -2.312 8.072 31 HH TYR 4 HH TYR 4 -1.584 -4.243 7.867 32 H LEU 5 H LEU 5 -0.992 -0.170 1.520 33 HA LEU 5 HA LEU 5 -1.138 1.910 -0.373 34 1HB LEU 5 1HB LEU 5 -0.720 -0.950 -0.238 35 2HB LEU 5 2HB LEU 5 -1.627 -0.538 -1.693 36 HG LEU 5 HG LEU 5 1.062 0.553 -0.830 37 1HD1 LEU 5 1HD1 LEU 5 0.038 -1.318 -2.910 38 2HD1 LEU 5 2HD1 LEU 5 1.342 -0.230 -3.388 39 3HD1 LEU 5 3HD1 LEU 5 1.570 -1.339 -2.036 40 1HD2 LEU 5 1HD2 LEU 5 -1.041 1.726 -2.518 41 2HD2 LEU 5 2HD2 LEU 5 0.389 2.485 -1.818 42 3HD2 LEU 5 3HD2 LEU 5 0.517 1.591 -3.333 43 H VAL 6 H VAL 6 -2.706 2.451 -1.961 44 HA VAL 6 HA VAL 6 -5.472 1.391 -1.463 45 HB VAL 6 HB VAL 6 -6.195 3.697 -2.118 46 1HG1 VAL 6 1HG1 VAL 6 -4.301 3.288 0.191 47 2HG1 VAL 6 2HG1 VAL 6 -5.078 4.849 -0.073 48 3HG1 VAL 6 3HG1 VAL 6 -6.060 3.413 0.216 49 1HG2 VAL 6 1HG2 VAL 6 -3.708 3.883 -3.248 50 2HG2 VAL 6 2HG2 VAL 6 -4.734 5.271 -2.886 51 3HG2 VAL 6 3HG2 VAL 6 -3.471 4.788 -1.753 52 H GLU 7 H GLU 7 -6.805 2.226 -3.626 53 HA GLU 7 HA GLU 7 -5.161 1.371 -5.981 54 1HB GLU 7 1HB GLU 7 -6.873 -0.255 -4.882 55 2HB GLU 7 2HB GLU 7 -8.097 0.785 -5.615 56 1HG GLU 7 1HG GLU 7 -5.938 0.096 -7.465 57 2HG GLU 7 2HG GLU 7 -6.815 -1.318 -6.878 58 H LYS 8 H LYS 8 -6.316 2.055 -8.091 59 HA LYS 8 HA LYS 8 -6.536 4.813 -8.362 60 1HB LYS 8 1HB LYS 8 -6.922 2.503 -9.903 61 2HB LYS 8 2HB LYS 8 -8.442 3.388 -10.047 62 1HG LYS 8 1HG LYS 8 -7.062 5.457 -10.561 63 2HG LYS 8 2HG LYS 8 -5.658 4.393 -10.681 64 1HD LYS 8 1HD LYS 8 -7.540 3.094 -12.237 65 2HD LYS 8 2HD LYS 8 -7.862 4.795 -12.575 66 1HE LYS 8 1HE LYS 8 -5.161 4.838 -12.712 67 2HE LYS 8 2HE LYS 8 -5.459 3.165 -13.228 68 1HZ LYS 8 1HZ LYS 8 -7.250 5.206 -14.287 69 2HZ LYS 8 2HZ LYS 8 -5.665 5.219 -14.889 70 3HZ LYS 8 3HZ LYS 8 -6.619 3.820 -15.039 71 H THR 9 H THR 9 -9.243 2.534 -7.800 72 HA THR 9 HA THR 9 -11.201 4.683 -7.515 73 HB THR 9 HB THR 9 -12.581 2.649 -6.746 74 HG1 THR 9 HG1 THR 9 -11.196 0.734 -7.644 75 1HG2 THR 9 1HG2 THR 9 -11.928 3.574 -9.222 76 2HG2 THR 9 2HG2 THR 9 -11.371 1.904 -9.338 77 3HG2 THR 9 3HG2 THR 9 -13.054 2.247 -8.937 78 H GLY 10 H GLY 10 -8.991 3.030 -5.400 79 1HA GLY 10 1HA GLY 10 -8.590 4.245 -3.225 80 2HA GLY 10 2HA GLY 10 -10.345 4.288 -3.046 81 H CYS 11 H CYS 11 -9.668 1.387 -4.465 82 HA CYS 11 HA CYS 11 -10.273 -0.132 -2.079 83 1HB CYS 11 1HB CYS 11 -9.561 -0.638 -4.947 84 2HB CYS 11 2HB CYS 11 -9.500 -1.993 -3.820 85 H LYS 12 H LYS 12 -8.696 -2.176 -1.717 86 HA LYS 12 HA LYS 12 -5.967 -1.037 -1.253 87 1HB LYS 12 1HB LYS 12 -5.990 -3.012 0.457 88 2HB LYS 12 2HB LYS 12 -6.937 -1.574 0.824 89 1HG LYS 12 1HG LYS 12 -8.950 -2.642 0.455 90 2HG LYS 12 2HG LYS 12 -8.264 -3.745 -0.738 91 1HD LYS 12 1HD LYS 12 -6.963 -4.792 1.211 92 2HD LYS 12 2HD LYS 12 -8.047 -3.890 2.271 93 1HE LYS 12 1HE LYS 12 -9.976 -5.046 1.446 94 2HE LYS 12 2HE LYS 12 -9.065 -5.733 0.086 95 1HZ LYS 12 1HZ LYS 12 -8.256 -6.185 2.896 96 2HZ LYS 12 2HZ LYS 12 -9.362 -7.212 2.115 97 3HZ LYS 12 3HZ LYS 12 -7.782 -7.047 1.514 98 H LYS 13 H LYS 13 -4.327 -3.021 -1.042 99 HA LYS 13 HA LYS 13 -4.771 -4.804 -3.417 100 1HB LYS 13 1HB LYS 13 -2.286 -3.392 -2.395 101 2HB LYS 13 2HB LYS 13 -2.286 -4.550 -3.726 102 1HG LYS 13 1HG LYS 13 -4.360 -2.704 -4.280 103 2HG LYS 13 2HG LYS 13 -2.965 -1.749 -3.777 104 1HD LYS 13 1HD LYS 13 -2.590 -2.010 -6.078 105 2HD LYS 13 2HD LYS 13 -1.625 -3.315 -5.386 106 1HE LYS 13 1HE LYS 13 -3.547 -4.881 -5.753 107 2HE LYS 13 2HE LYS 13 -4.414 -3.565 -6.569 108 1HZ LYS 13 1HZ LYS 13 -1.659 -3.980 -7.393 109 2HZ LYS 13 2HZ LYS 13 -2.746 -5.209 -7.839 110 3HZ LYS 13 3HZ LYS 13 -3.024 -3.607 -8.329 111 H THR 14 H THR 14 -5.295 -6.734 -2.322 112 HA THR 14 HA THR 14 -4.066 -7.604 0.139 113 HB THR 14 HB THR 14 -5.393 -9.238 -2.048 114 HG1 THR 14 HG1 THR 14 -7.311 -8.684 -1.051 115 1HG2 THR 14 1HG2 THR 14 -4.743 -9.649 0.841 116 2HG2 THR 14 2HG2 THR 14 -6.231 -10.356 0.211 117 3HG2 THR 14 3HG2 THR 14 -4.678 -10.797 -0.497 118 H CYS 15 H CYS 15 -2.688 -9.602 0.296 119 HA CYS 15 HA CYS 15 -1.054 -10.226 -2.102 120 1HB CYS 15 1HB CYS 15 1.019 -9.660 -0.870 121 2HB CYS 15 2HB CYS 15 -0.025 -8.250 -1.046 122 H TYR 16 H TYR 16 -0.557 -12.377 -2.087 123 HA TYR 16 HA TYR 16 -1.388 -14.051 0.165 124 1HB TYR 16 1HB TYR 16 -0.145 -14.479 -2.558 125 2HB TYR 16 2HB TYR 16 -0.458 -15.820 -1.459 126 HD1 TYR 16 HD1 TYR 16 -2.786 -13.108 -1.067 127 HD2 TYR 16 HD2 TYR 16 -1.943 -16.608 -3.413 128 HE1 TYR 16 HE1 TYR 16 -5.145 -13.171 -1.821 129 HE2 TYR 16 HE2 TYR 16 -4.304 -16.670 -4.167 130 HH TYR 16 HH TYR 16 -6.750 -14.784 -2.703 131 H LYS 17 H LYS 17 1.700 -13.085 -1.328 132 HA LYS 17 HA LYS 17 3.234 -14.747 0.571 133 1HB LYS 17 1HB LYS 17 3.879 -14.585 -1.783 134 2HB LYS 17 2HB LYS 17 4.000 -12.829 -1.650 135 1HG LYS 17 1HG LYS 17 5.884 -12.957 -0.210 136 2HG LYS 17 2HG LYS 17 5.616 -14.669 0.118 137 1HD LYS 17 1HD LYS 17 7.055 -15.136 -1.548 138 2HD LYS 17 2HD LYS 17 5.861 -14.489 -2.675 139 1HE LYS 17 1HE LYS 17 7.151 -12.243 -1.504 140 2HE LYS 17 2HE LYS 17 8.426 -13.381 -1.985 141 1HZ LYS 17 1HZ LYS 17 6.151 -12.988 -3.789 142 2HZ LYS 17 2HZ LYS 17 7.342 -11.777 -3.736 143 3HZ LYS 17 3HZ LYS 17 7.766 -13.366 -4.155 144 H LEU 18 H LEU 18 3.630 -13.933 2.582 145 HA LEU 18 HA LEU 18 3.564 -11.037 3.106 146 1HB LEU 18 1HB LEU 18 4.007 -13.545 4.747 147 2HB LEU 18 2HB LEU 18 4.050 -11.929 5.452 148 HG LEU 18 HG LEU 18 1.711 -13.051 3.887 149 1HD1 LEU 18 1HD1 LEU 18 2.337 -14.058 6.223 150 2HD1 LEU 18 2HD1 LEU 18 1.729 -12.525 6.847 151 3HD1 LEU 18 3HD1 LEU 18 0.667 -13.580 5.913 152 1HD2 LEU 18 1HD2 LEU 18 2.445 -10.408 4.618 153 2HD2 LEU 18 2HD2 LEU 18 0.911 -10.945 3.936 154 3HD2 LEU 18 3HD2 LEU 18 1.122 -10.878 5.685 155 H GLY 19 H GLY 19 5.406 -9.770 3.466 156 1HA GLY 19 1HA GLY 19 7.781 -9.616 4.171 157 2HA GLY 19 2HA GLY 19 8.036 -11.189 3.419 158 H GLU 20 H GLU 20 9.760 -10.113 2.221 159 HA GLU 20 HA GLU 20 9.445 -7.929 0.443 160 1HB GLU 20 1HB GLU 20 11.215 -10.301 0.761 161 2HB GLU 20 2HB GLU 20 11.272 -9.485 -0.803 162 1HG GLU 20 1HG GLU 20 12.904 -8.359 0.486 163 2HG GLU 20 2HG GLU 20 11.495 -7.302 0.568 164 H ASN 21 H ASN 21 7.215 -8.348 -0.381 165 HA ASN 21 HA ASN 21 6.950 -10.550 -2.348 166 1HB ASN 21 1HB ASN 21 5.192 -9.904 -0.644 167 2HB ASN 21 2HB ASN 21 5.001 -8.380 -1.513 168 1HD2 ASN 21 2HD2 ASN 21 3.142 -10.831 -1.196 169 2HD2 ASN 21 1HD2 ASN 21 2.701 -11.211 -2.789 170 H ASP 22 H ASP 22 8.277 -9.868 -4.078 171 HA ASP 22 HA ASP 22 8.840 -7.470 -5.220 172 1HB ASP 22 1HB ASP 22 8.308 -10.200 -6.177 173 2HB ASP 22 2HB ASP 22 8.134 -8.972 -7.433 174 H PHE 23 H PHE 23 5.767 -9.208 -5.877 175 HA PHE 23 HA PHE 23 4.576 -7.231 -7.533 176 1HB PHE 23 1HB PHE 23 3.933 -9.695 -6.400 177 2HB PHE 23 2HB PHE 23 2.746 -8.596 -5.699 178 HD1 PHE 23 HD1 PHE 23 4.034 -10.069 -8.817 179 HD2 PHE 23 HD2 PHE 23 1.131 -7.412 -7.097 180 HE1 PHE 23 HE1 PHE 23 2.775 -10.061 -10.954 181 HE2 PHE 23 HE2 PHE 23 -0.130 -7.404 -9.234 182 HZ PHE 23 HZ PHE 23 0.693 -8.729 -11.162 183 H CYS 24 H CYS 24 4.337 -7.681 -3.988 184 HA CYS 24 HA CYS 24 2.774 -5.259 -3.592 185 1HB CYS 24 1HB CYS 24 3.454 -7.571 -2.194 186 2HB CYS 24 2HB CYS 24 4.284 -6.292 -1.307 187 H ASN 25 H ASN 25 6.214 -6.129 -3.278 188 HA ASN 25 HA ASN 25 7.151 -3.711 -2.085 189 1HB ASN 25 1HB ASN 25 8.393 -5.855 -2.327 190 2HB ASN 25 2HB ASN 25 8.482 -5.588 -4.068 191 1HD2 ASN 25 2HD2 ASN 25 10.629 -5.013 -4.483 192 2HD2 ASN 25 1HD2 ASN 25 11.492 -3.825 -3.630 193 H ARG 26 H ARG 26 7.250 -4.674 -5.538 194 HA ARG 26 HA ARG 26 8.064 -2.138 -6.557 195 1HB ARG 26 1HB ARG 26 7.445 -4.721 -7.470 196 2HB ARG 26 2HB ARG 26 6.321 -3.662 -8.322 197 1HG ARG 26 1HG ARG 26 7.993 -2.575 -9.465 198 2HG ARG 26 2HG ARG 26 9.157 -2.762 -8.151 199 1HD ARG 26 1HD ARG 26 8.697 -5.385 -8.912 200 2HD ARG 26 2HD ARG 26 8.666 -4.515 -10.457 201 HE ARG 26 HE ARG 26 10.829 -3.423 -9.067 202 1HH1 ARG 26 1HH1 ARG 26 9.795 -6.556 -10.092 203 2HH1 ARG 26 2HH1 ARG 26 11.403 -7.172 -10.268 204 1HH2 ARG 26 1HH2 ARG 26 12.933 -4.217 -9.297 205 2HH2 ARG 26 2HH2 ARG 26 13.177 -5.850 -9.820 206 H GLU 27 H GLU 27 4.880 -3.435 -5.733 207 HA GLU 27 HA GLU 27 3.225 -1.549 -7.074 208 1HB GLU 27 1HB GLU 27 3.066 -3.328 -4.669 209 2HB GLU 27 2HB GLU 27 1.772 -2.156 -4.922 210 1HG GLU 27 1HG GLU 27 2.672 -3.873 -7.216 211 2HG GLU 27 2HG GLU 27 1.590 -4.552 -5.999 212 H CYS 28 H CYS 28 4.778 -1.400 -3.862 213 HA CYS 28 HA CYS 28 3.611 1.195 -3.209 214 1HB CYS 28 1HB CYS 28 4.359 -0.659 -1.630 215 2HB CYS 28 2HB CYS 28 6.019 -0.198 -2.003 216 H LYS 29 H LYS 29 6.541 0.064 -4.797 217 HA LYS 29 HA LYS 29 8.154 2.408 -4.504 218 1HB LYS 29 1HB LYS 29 8.842 0.128 -5.306 219 2HB LYS 29 2HB LYS 29 8.004 0.457 -6.824 220 1HG LYS 29 1HG LYS 29 9.977 2.485 -5.859 221 2HG LYS 29 2HG LYS 29 10.608 0.981 -6.533 222 1HD LYS 29 1HD LYS 29 8.490 1.877 -8.227 223 2HD LYS 29 2HD LYS 29 9.569 3.242 -7.940 224 1HE LYS 29 1HE LYS 29 11.118 2.347 -9.328 225 2HE LYS 29 2HE LYS 29 11.118 0.834 -8.398 226 1HZ LYS 29 1HZ LYS 29 8.800 1.444 -10.087 227 2HZ LYS 29 2HZ LYS 29 10.214 0.887 -10.845 228 3HZ LYS 29 3HZ LYS 29 9.457 -0.064 -9.662 229 H TRP 30 H TRP 30 6.596 1.445 -7.581 230 HA TRP 30 HA TRP 30 5.688 2.783 -9.305 231 1HB TRP 30 1HB TRP 30 4.691 3.706 -6.684 232 2HB TRP 30 2HB TRP 30 4.510 4.885 -7.983 233 HD1 TRP 30 HD1 TRP 30 2.454 2.512 -6.457 234 HE1 TRP 30 HE1 TRP 30 0.784 1.404 -8.079 235 HE3 TRP 30 HE3 TRP 30 4.635 3.703 -10.917 236 HZ2 TRP 30 HZ2 TRP 30 0.422 1.069 -10.897 237 HZ3 TRP 30 HZ3 TRP 30 3.609 2.979 -13.052 238 HH2 TRP 30 HH2 TRP 30 1.507 1.664 -13.048 239 H LYS 31 H LYS 31 6.041 5.650 -7.338 240 HA LYS 31 HA LYS 31 8.521 6.441 -8.795 241 1HB LYS 31 1HB LYS 31 6.053 7.121 -9.681 242 2HB LYS 31 2HB LYS 31 6.324 8.433 -8.534 243 1HG LYS 31 1HG LYS 31 8.184 9.241 -9.691 244 2HG LYS 31 2HG LYS 31 8.484 7.694 -10.484 245 1HD LYS 31 1HD LYS 31 7.017 8.128 -12.171 246 2HD LYS 31 2HD LYS 31 5.858 8.905 -11.091 247 1HE LYS 31 1HE LYS 31 6.572 10.927 -11.814 248 2HE LYS 31 2HE LYS 31 8.198 10.558 -11.202 249 1HZ LYS 31 1HZ LYS 31 8.427 9.128 -13.265 250 2HZ LYS 31 2HZ LYS 31 7.057 9.937 -13.863 251 3HZ LYS 31 3HZ LYS 31 8.472 10.806 -13.503 252 H HIS 32 H HIS 32 6.068 7.760 -6.539 253 HA HIS 32 HA HIS 32 8.235 8.980 -4.910 254 1HB HIS 32 1HB HIS 32 6.303 10.136 -3.860 255 2HB HIS 32 2HB HIS 32 6.271 10.303 -5.616 256 HD1 HIS 32 HD1 HIS 32 4.568 8.492 -2.782 257 HD2 HIS 32 HD2 HIS 32 4.116 8.982 -6.897 258 HE1 HIS 32 HE1 HIS 32 2.310 7.512 -3.377 259 H ILE 33 H ILE 33 8.811 8.114 -2.927 260 HA ILE 33 HA ILE 33 6.976 6.125 -1.653 261 HB ILE 33 HB ILE 33 8.760 5.119 -3.171 262 1HG1 ILE 33 1HG1 ILE 33 9.629 3.825 -0.844 263 2HG1 ILE 33 2HG1 ILE 33 8.030 4.447 -0.439 264 1HG2 ILE 33 1HG2 ILE 33 10.545 6.736 -2.576 265 2HG2 ILE 33 2HG2 ILE 33 10.579 6.063 -0.947 266 3HG2 ILE 33 3HG2 ILE 33 11.048 5.065 -2.322 267 1HD1 ILE 33 1HD1 ILE 33 7.526 3.476 -2.913 268 2HD1 ILE 33 2HD1 ILE 33 8.808 2.372 -2.413 269 3HD1 ILE 33 3HD1 ILE 33 7.339 2.513 -1.448 270 H GLY 34 H GLY 34 9.970 8.024 -1.338 271 1HA GLY 34 1HA GLY 34 10.709 9.332 0.490 272 2HA GLY 34 2HA GLY 34 9.176 8.993 1.290 273 H GLY 35 H GLY 35 11.818 6.895 0.141 274 1HA GLY 35 1HA GLY 35 12.884 5.100 1.220 275 2HA GLY 35 2HA GLY 35 12.967 6.207 2.590 276 H SER 36 H SER 36 9.797 5.384 1.446 277 HA SER 36 HA SER 36 9.134 4.154 4.003 278 1HB SER 36 1HB SER 36 6.978 4.517 3.272 279 2HB SER 36 2HB SER 36 7.806 5.596 2.154 280 HG SER 36 HG SER 36 6.460 4.208 1.003 281 H TYR 37 H TYR 37 9.457 2.008 4.443 282 HA TYR 37 HA TYR 37 10.238 0.105 2.394 283 1HB TYR 37 1HB TYR 37 10.308 0.379 5.194 284 2HB TYR 37 2HB TYR 37 9.296 -1.036 4.898 285 HD1 TYR 37 HD1 TYR 37 10.180 -2.993 3.688 286 HD2 TYR 37 HD2 TYR 37 12.652 0.405 4.578 287 HE1 TYR 37 HE1 TYR 37 12.204 -4.330 3.173 288 HE2 TYR 37 HE2 TYR 37 14.676 -0.932 4.063 289 HH TYR 37 HH TYR 37 14.571 -3.877 2.445 290 H GLY 38 H GLY 38 8.664 -0.474 0.909 291 1HA GLY 38 1HA GLY 38 5.910 -0.984 1.922 292 2HA GLY 38 2HA GLY 38 6.333 -0.709 0.232 293 H TYR 39 H TYR 39 5.063 -3.027 1.902 294 HA TYR 39 HA TYR 39 6.046 -5.163 0.205 295 1HB TYR 39 1HB TYR 39 7.012 -6.481 2.133 296 2HB TYR 39 2HB TYR 39 7.938 -5.040 1.716 297 HD1 TYR 39 HD1 TYR 39 7.668 -2.945 3.084 298 HD2 TYR 39 HD2 TYR 39 5.946 -6.700 4.262 299 HE1 TYR 39 HE1 TYR 39 7.381 -2.090 5.395 300 HE2 TYR 39 HE2 TYR 39 5.659 -5.844 6.572 301 HH TYR 39 HH TYR 39 5.624 -2.794 7.408 302 H CYS 40 H CYS 40 4.990 -7.299 0.914 303 HA CYS 40 HA CYS 40 2.195 -6.856 1.485 304 1HB CYS 40 1HB CYS 40 2.849 -8.665 0.070 305 2HB CYS 40 2HB CYS 40 4.009 -9.267 1.254 306 H TYR 41 H TYR 41 1.754 -6.076 3.547 307 HA TYR 41 HA TYR 41 2.795 -7.688 5.857 308 1HB TYR 41 1HB TYR 41 3.623 -5.299 5.513 309 2HB TYR 41 2HB TYR 41 1.971 -4.772 5.838 310 HD1 TYR 41 HD1 TYR 41 4.344 -7.287 7.314 311 HD2 TYR 41 HD2 TYR 41 1.629 -4.033 8.015 312 HE1 TYR 41 HE1 TYR 41 4.772 -7.455 9.752 313 HE2 TYR 41 HE2 TYR 41 2.055 -4.202 10.452 314 HH TYR 41 HH TYR 41 2.832 -5.910 12.067 315 H GLY 42 H GLY 42 1.157 -8.785 6.863 316 1HA GLY 42 1HA GLY 42 -0.967 -9.235 7.768 317 2HA GLY 42 2HA GLY 42 -1.356 -7.528 7.538 318 H PHE 43 H PHE 43 -0.377 -9.911 5.090 319 HA PHE 43 HA PHE 43 -1.474 -10.605 3.118 320 1HB PHE 43 1HB PHE 43 -3.613 -10.237 5.195 321 2HB PHE 43 2HB PHE 43 -4.081 -10.638 3.544 322 HD1 PHE 43 HD1 PHE 43 -2.084 -12.426 2.558 323 HD2 PHE 43 HD2 PHE 43 -3.691 -12.159 6.533 324 HE1 PHE 43 HE1 PHE 43 -1.491 -14.799 2.956 325 HE2 PHE 43 HE2 PHE 43 -3.097 -14.534 6.931 326 HZ PHE 43 HZ PHE 43 -1.997 -15.854 5.143 327 H GLY 44 H GLY 44 -0.853 -7.715 3.557 328 1HA GLY 44 1HA GLY 44 -2.428 -6.665 1.326 329 2HA GLY 44 2HA GLY 44 -2.729 -5.842 2.858 330 H CYS 45 H CYS 45 -1.411 -4.793 0.407 331 HA CYS 45 HA CYS 45 1.438 -4.606 0.872 332 1HB CYS 45 1HB CYS 45 -0.531 -3.824 -1.044 333 2HB CYS 45 2HB CYS 45 0.386 -2.384 -0.605 334 H TYR 46 H TYR 46 2.169 -3.648 2.750 335 HA TYR 46 HA TYR 46 0.842 -1.110 3.649 336 1HB TYR 46 1HB TYR 46 0.870 -3.211 5.117 337 2HB TYR 46 2HB TYR 46 2.613 -2.980 5.245 338 HD1 TYR 46 HD1 TYR 46 -0.678 -1.355 5.881 339 HD2 TYR 46 HD2 TYR 46 3.538 -1.343 6.705 340 HE1 TYR 46 HE1 TYR 46 -1.034 0.328 7.669 341 HE2 TYR 46 HE2 TYR 46 3.183 0.341 8.491 342 HH TYR 46 HH TYR 46 1.400 1.138 9.940 343 H CYS 47 H CYS 47 2.163 0.729 3.844 344 HA CYS 47 HA CYS 47 5.084 0.324 3.271 345 1HB CYS 47 1HB CYS 47 3.182 2.486 2.309 346 2HB CYS 47 2HB CYS 47 4.913 2.447 1.975 347 H GLU 48 H GLU 48 6.446 1.340 4.693 348 HA GLU 48 HA GLU 48 5.216 3.142 6.746 349 1HB GLU 48 1HB GLU 48 7.635 1.313 6.711 350 2HB GLU 48 2HB GLU 48 7.270 2.405 8.048 351 1HG GLU 48 1HG GLU 48 5.579 1.096 8.815 352 2HG GLU 48 2HG GLU 48 4.990 0.747 7.189 353 H GLY 49 H GLY 49 5.484 5.080 5.415 354 1HA GLY 49 1HA GLY 49 7.678 6.679 5.845 355 2HA GLY 49 2HA GLY 49 8.140 5.776 4.406 356 H LEU 50 H LEU 50 5.112 5.714 3.732 357 HA LEU 50 HA LEU 50 4.850 7.451 1.684 358 1HB LEU 50 1HB LEU 50 2.816 6.989 3.885 359 2HB LEU 50 2HB LEU 50 2.432 7.548 2.261 360 HG LEU 50 HG LEU 50 2.111 5.334 1.846 361 1HD1 LEU 50 1HD1 LEU 50 4.302 5.960 0.681 362 2HD1 LEU 50 2HD1 LEU 50 5.116 5.067 1.966 363 3HD1 LEU 50 3HD1 LEU 50 3.992 4.236 0.890 364 1HD2 LEU 50 1HD2 LEU 50 2.984 5.116 4.476 365 2HD2 LEU 50 2HD2 LEU 50 2.316 3.814 3.493 366 3HD2 LEU 50 3HD2 LEU 50 4.062 4.043 3.584 367 HA PRO 51 HA PRO 51 5.726 11.493 3.415 368 1HB PRO 51 1HB PRO 51 4.451 12.660 1.092 369 2HB PRO 51 2HB PRO 51 6.174 12.582 1.475 370 1HG PRO 51 1HG PRO 51 4.771 11.099 -0.522 371 2HG PRO 51 2HG PRO 51 6.477 10.969 -0.083 372 1HD PRO 51 1HD PRO 51 4.366 9.065 0.429 373 2HD PRO 51 2HD PRO 51 6.087 8.933 0.866 374 H ASP 52 H ASP 52 4.348 13.471 3.930 375 HA ASP 52 HA ASP 52 1.814 12.672 5.058 376 1HB ASP 52 1HB ASP 52 3.422 14.406 5.913 377 2HB ASP 52 2HB ASP 52 2.949 15.441 4.565 378 H SER 53 H SER 53 2.727 13.995 1.957 379 HA SER 53 HA SER 53 0.013 14.988 1.365 380 1HB SER 53 1HB SER 53 2.271 14.663 -0.594 381 2HB SER 53 2HB SER 53 1.055 15.931 -0.508 382 HG SER 53 HG SER 53 3.376 16.241 0.334 383 H THR 54 H THR 54 1.125 11.942 1.603 384 HA THR 54 HA THR 54 0.006 10.953 -0.978 385 HB THR 54 HB THR 54 0.999 9.005 0.971 386 HG1 THR 54 HG1 THR 54 2.917 9.835 1.331 387 1HG2 THR 54 1HG2 THR 54 0.878 9.385 -1.816 388 2HG2 THR 54 2HG2 THR 54 2.595 9.369 -1.410 389 3HG2 THR 54 3HG2 THR 54 1.569 8.008 -0.959 390 H GLN 55 H GLN 55 -1.667 9.320 -0.954 391 HA GLN 55 HA GLN 55 -3.471 9.519 1.413 392 1HB GLN 55 1HB GLN 55 -4.011 9.990 -1.124 393 2HB GLN 55 2HB GLN 55 -4.136 8.233 -1.224 394 1HG GLN 55 1HG GLN 55 -6.336 8.921 -0.711 395 2HG GLN 55 2HG GLN 55 -5.676 8.426 0.848 396 1HE2 GLN 55 2HE2 GLN 55 -5.572 10.010 2.495 397 2HE2 GLN 55 1HE2 GLN 55 -5.949 11.648 2.257 398 H THR 56 H THR 56 -4.449 7.510 2.237 399 HA THR 56 HA THR 56 -3.049 4.989 1.460 400 HB THR 56 HB THR 56 -1.758 5.764 3.300 401 HG1 THR 56 HG1 THR 56 -3.812 4.179 4.440 402 1HG2 THR 56 1HG2 THR 56 -4.422 6.607 4.442 403 2HG2 THR 56 2HG2 THR 56 -2.976 6.485 5.444 404 3HG2 THR 56 3HG2 THR 56 -3.017 7.613 4.089 405 H TRP 57 H TRP 57 -4.155 3.086 2.662 406 HA TRP 57 HA TRP 57 -7.094 3.415 2.398 407 1HB TRP 57 1HB TRP 57 -5.365 1.605 1.436 408 2HB TRP 57 2HB TRP 57 -5.707 0.833 2.981 409 HD1 TRP 57 HD1 TRP 57 -7.622 2.267 -0.055 410 HE1 TRP 57 HE1 TRP 57 -9.801 0.918 -0.341 411 HE3 TRP 57 HE3 TRP 57 -7.294 -0.805 4.006 412 HZ2 TRP 57 HZ2 TRP 57 -11.217 -1.188 0.983 413 HZ3 TRP 57 HZ3 TRP 57 -9.066 -2.471 4.473 414 HH2 TRP 57 HH2 TRP 57 -11.026 -2.668 2.969 415 HA PRO 58 HA PRO 58 -8.831 2.332 2.928 416 1HB PRO 58 1HB PRO 58 -10.865 3.396 4.587 417 2HB PRO 58 2HB PRO 58 -10.599 1.694 4.198 418 1HG PRO 58 1HG PRO 58 -10.174 3.042 6.720 419 2HG PRO 58 2HG PRO 58 -10.019 1.321 6.356 420 1HD PRO 58 1HD PRO 58 -7.904 3.243 6.807 421 2HD PRO 58 2HD PRO 58 -7.750 1.501 6.474 422 H LEU 59 H LEU 59 -9.835 4.026 1.658 423 HA LEU 59 HA LEU 59 -8.609 6.615 1.762 424 1HB LEU 59 1HB LEU 59 -10.554 5.100 0.202 425 2HB LEU 59 2HB LEU 59 -11.017 6.797 0.326 426 HG LEU 59 HG LEU 59 -8.656 7.395 -0.361 427 1HD1 LEU 59 1HD1 LEU 59 -8.571 4.415 -0.929 428 2HD1 LEU 59 2HD1 LEU 59 -7.376 5.579 -1.501 429 3HD1 LEU 59 3HD1 LEU 59 -7.566 5.289 0.228 430 1HD2 LEU 59 1HD2 LEU 59 -10.843 6.371 -1.942 431 2HD2 LEU 59 2HD2 LEU 59 -9.704 7.656 -2.342 432 3HD2 LEU 59 3HD2 LEU 59 -9.314 5.980 -2.729 433 HA PRO 60 HA PRO 60 -11.064 9.117 4.429 434 1HB PRO 60 1HB PRO 60 -12.257 10.771 2.371 435 2HB PRO 60 2HB PRO 60 -10.948 11.178 3.484 436 1HG PRO 60 1HG PRO 60 -10.748 10.661 0.679 437 2HG PRO 60 2HG PRO 60 -9.434 11.000 1.810 438 1HD PRO 60 1HD PRO 60 -10.043 8.497 0.522 439 2HD PRO 60 2HD PRO 60 -8.743 8.832 1.692 440 H ASN 61 H ASN 61 -13.568 10.259 4.177 441 HA ASN 61 HA ASN 61 -15.415 8.207 4.573 442 1HB ASN 61 1HB ASN 61 -15.445 11.070 3.848 443 2HB ASN 61 2HB ASN 61 -16.917 10.202 3.411 444 1HD2 ASN 61 2HD2 ASN 61 -16.498 12.210 5.627 445 2HD2 ASN 61 1HD2 ASN 61 -16.957 11.406 7.050 446 H LYS 62 H LYS 62 -14.101 9.432 1.592 447 HA LYS 62 HA LYS 62 -16.084 8.069 -0.119 448 1HB LYS 62 1HB LYS 62 -14.748 10.314 -0.440 449 2HB LYS 62 2HB LYS 62 -13.457 9.250 -0.999 450 1HG LYS 62 1HG LYS 62 -15.177 8.203 -2.566 451 2HG LYS 62 2HG LYS 62 -16.234 9.554 -2.155 452 1HD LYS 62 1HD LYS 62 -13.497 10.367 -2.865 453 2HD LYS 62 2HD LYS 62 -14.373 9.585 -4.182 454 1HE LYS 62 1HE LYS 62 -15.402 11.577 -4.540 455 2HE LYS 62 2HE LYS 62 -16.237 11.337 -2.992 456 1HZ LYS 62 1HZ LYS 62 -13.450 12.235 -2.932 457 2HZ LYS 62 2HZ LYS 62 -14.635 13.376 -3.360 458 3HZ LYS 62 3HZ LYS 62 -14.722 12.587 -1.862 459 H THR 63 H THR 63 -15.151 6.065 1.364 460 HA THR 63 HA THR 63 -12.668 4.845 0.696 461 HB THR 63 HB THR 63 -14.250 4.303 2.577 462 HG1 THR 63 HG1 THR 63 -12.721 2.797 2.246 463 1HG2 THR 63 1HG2 THR 63 -15.990 3.808 0.336 464 2HG2 THR 63 2HG2 THR 63 -15.837 2.342 1.302 465 3HG2 THR 63 3HG2 THR 63 -16.386 3.840 2.054 466 H CYS 64 H CYS 64 -13.275 2.310 -0.193 467 HA CYS 64 HA CYS 64 -13.863 2.807 -3.074 468 1HB CYS 64 1HB CYS 64 -11.743 1.692 -2.045 469 2HB CYS 64 2HB CYS 64 -12.780 0.282 -1.823 Start of MODEL 17 1 1H LYS 1 1H LYS 1 7.075 5.604 9.701 2 2H LYS 1 2H LYS 1 6.928 6.318 11.233 3 3H LYS 1 3H LYS 1 7.050 4.630 11.093 4 HA LYS 1 HA LYS 1 4.761 5.173 11.524 5 1HB LYS 1 1HB LYS 1 5.526 7.489 10.236 6 2HB LYS 1 2HB LYS 1 4.474 6.732 9.039 7 1HG LYS 1 1HG LYS 1 3.670 7.029 11.939 8 2HG LYS 1 2HG LYS 1 3.320 8.264 10.730 9 1HD LYS 1 1HD LYS 1 2.559 5.386 10.262 10 2HD LYS 1 2HD LYS 1 1.507 6.463 11.180 11 1HE LYS 1 1HE LYS 1 2.413 7.789 8.766 12 2HE LYS 1 2HE LYS 1 1.630 6.245 8.373 13 1HZ LYS 1 1HZ LYS 1 0.425 7.902 10.462 14 2HZ LYS 1 2HZ LYS 1 0.215 8.400 8.854 15 3HZ LYS 1 3HZ LYS 1 -0.319 6.863 9.342 16 H ASP 2 H ASP 2 3.451 3.530 10.770 17 HA ASP 2 HA ASP 2 4.073 2.412 8.055 18 1HB ASP 2 1HB ASP 2 2.855 0.943 10.402 19 2HB ASP 2 2HB ASP 2 3.671 0.261 8.996 20 H GLY 3 H GLY 3 2.240 1.632 6.826 21 1HA GLY 3 1HA GLY 3 -0.474 1.892 7.782 22 2HA GLY 3 2HA GLY 3 -0.033 3.256 6.754 23 H TYR 4 H TYR 4 -1.977 1.920 5.668 24 HA TYR 4 HA TYR 4 -0.814 -0.115 3.806 25 1HB TYR 4 1HB TYR 4 -3.572 0.510 4.876 26 2HB TYR 4 2HB TYR 4 -3.361 -0.508 3.453 27 HD1 TYR 4 HD1 TYR 4 -2.205 -2.679 3.611 28 HD2 TYR 4 HD2 TYR 4 -2.903 -0.251 7.084 29 HE1 TYR 4 HE1 TYR 4 -1.699 -4.621 5.068 30 HE2 TYR 4 HE2 TYR 4 -2.399 -2.194 8.543 31 HH TYR 4 HH TYR 4 -2.516 -5.174 7.737 32 H LEU 5 H LEU 5 -0.652 0.462 1.651 33 HA LEU 5 HA LEU 5 -1.458 3.178 0.855 34 1HB LEU 5 1HB LEU 5 0.427 1.131 0.106 35 2HB LEU 5 2HB LEU 5 -0.470 1.651 -1.322 36 HG LEU 5 HG LEU 5 0.733 3.625 0.625 37 1HD1 LEU 5 1HD1 LEU 5 2.216 1.838 -0.882 38 2HD1 LEU 5 2HD1 LEU 5 2.127 3.257 -1.926 39 3HD1 LEU 5 3HD1 LEU 5 2.787 3.400 -0.297 40 1HD2 LEU 5 1HD2 LEU 5 -0.759 3.709 -1.911 41 2HD2 LEU 5 2HD2 LEU 5 -0.544 4.966 -0.693 42 3HD2 LEU 5 3HD2 LEU 5 0.699 4.700 -1.916 43 H VAL 6 H VAL 6 -2.838 3.586 -1.006 44 HA VAL 6 HA VAL 6 -4.928 1.478 -1.379 45 HB VAL 6 HB VAL 6 -6.351 3.375 -1.980 46 1HG1 VAL 6 1HG1 VAL 6 -4.953 3.127 0.528 47 2HG1 VAL 6 2HG1 VAL 6 -5.318 4.824 0.220 48 3HG1 VAL 6 3HG1 VAL 6 -6.617 3.632 0.236 49 1HG2 VAL 6 1HG2 VAL 6 -3.897 4.543 -2.722 50 2HG2 VAL 6 2HG2 VAL 6 -5.494 5.286 -2.815 51 3HG2 VAL 6 3HG2 VAL 6 -4.495 5.520 -1.381 52 H GLU 7 H GLU 7 -6.042 2.166 -3.733 53 HA GLU 7 HA GLU 7 -3.803 1.885 -5.711 54 1HB GLU 7 1HB GLU 7 -6.675 0.898 -5.736 55 2HB GLU 7 2HB GLU 7 -5.500 0.619 -7.021 56 1HG GLU 7 1HG GLU 7 -4.009 -0.420 -5.202 57 2HG GLU 7 2HG GLU 7 -5.456 -0.437 -4.192 58 H LYS 8 H LYS 8 -4.649 2.620 -8.002 59 HA LYS 8 HA LYS 8 -5.076 5.392 -8.059 60 1HB LYS 8 1HB LYS 8 -5.076 3.121 -9.856 61 2HB LYS 8 2HB LYS 8 -6.325 4.273 -10.336 62 1HG LYS 8 1HG LYS 8 -3.489 5.112 -9.698 63 2HG LYS 8 2HG LYS 8 -4.015 4.689 -11.328 64 1HD LYS 8 1HD LYS 8 -5.910 6.507 -10.131 65 2HD LYS 8 2HD LYS 8 -4.286 7.190 -10.042 66 1HE LYS 8 1HE LYS 8 -4.153 6.349 -12.565 67 2HE LYS 8 2HE LYS 8 -5.917 6.505 -12.460 68 1HZ LYS 8 1HZ LYS 8 -4.408 8.649 -11.227 69 2HZ LYS 8 2HZ LYS 8 -4.273 8.571 -12.918 70 3HZ LYS 8 3HZ LYS 8 -5.801 8.723 -12.197 71 H THR 9 H THR 9 -7.540 2.811 -8.407 72 HA THR 9 HA THR 9 -9.802 4.569 -8.554 73 HB THR 9 HB THR 9 -10.998 2.418 -7.949 74 HG1 THR 9 HG1 THR 9 -9.714 1.263 -6.717 75 1HG2 THR 9 1HG2 THR 9 -9.061 2.805 -10.157 76 2HG2 THR 9 2HG2 THR 9 -9.628 1.151 -9.918 77 3HG2 THR 9 3HG2 THR 9 -10.787 2.445 -10.219 78 H GLY 10 H GLY 10 -7.800 3.637 -5.896 79 1HA GLY 10 1HA GLY 10 -8.020 4.871 -3.778 80 2HA GLY 10 2HA GLY 10 -9.767 4.885 -4.025 81 H CYS 11 H CYS 11 -9.591 2.005 -4.953 82 HA CYS 11 HA CYS 11 -10.235 0.740 -2.467 83 1HB CYS 11 1HB CYS 11 -9.308 -0.542 -5.054 84 2HB CYS 11 2HB CYS 11 -10.386 -1.242 -3.846 85 H LYS 12 H LYS 12 -8.957 -1.463 -1.963 86 HA LYS 12 HA LYS 12 -6.159 -0.654 -1.399 87 1HB LYS 12 1HB LYS 12 -6.306 -2.421 0.259 88 2HB LYS 12 2HB LYS 12 -7.764 -1.445 0.357 89 1HG LYS 12 1HG LYS 12 -8.897 -3.111 -1.147 90 2HG LYS 12 2HG LYS 12 -7.459 -4.120 -1.028 91 1HD LYS 12 1HD LYS 12 -7.726 -4.195 1.432 92 2HD LYS 12 2HD LYS 12 -9.192 -3.223 1.291 93 1HE LYS 12 1HE LYS 12 -10.401 -4.953 0.264 94 2HE LYS 12 2HE LYS 12 -8.929 -5.786 -0.277 95 1HZ LYS 12 1HZ LYS 12 -9.200 -5.336 2.588 96 2HZ LYS 12 2HZ LYS 12 -10.240 -6.495 1.917 97 3HZ LYS 12 3HZ LYS 12 -8.558 -6.670 1.754 98 H LYS 13 H LYS 13 -4.996 -3.127 -1.117 99 HA LYS 13 HA LYS 13 -5.218 -4.476 -3.779 100 1HB LYS 13 1HB LYS 13 -3.493 -2.612 -3.726 101 2HB LYS 13 2HB LYS 13 -2.629 -3.545 -2.505 102 1HG LYS 13 1HG LYS 13 -3.317 -5.246 -4.738 103 2HG LYS 13 2HG LYS 13 -2.443 -3.824 -5.309 104 1HD LYS 13 1HD LYS 13 -0.832 -4.320 -3.311 105 2HD LYS 13 2HD LYS 13 -1.546 -5.933 -3.356 106 1HE LYS 13 1HE LYS 13 0.294 -6.152 -4.818 107 2HE LYS 13 2HE LYS 13 -1.030 -5.784 -5.940 108 1HZ LYS 13 1HZ LYS 13 -0.333 -3.335 -5.178 109 2HZ LYS 13 2HZ LYS 13 1.179 -4.102 -5.073 110 3HZ LYS 13 3HZ LYS 13 0.332 -4.102 -6.541 111 H THR 14 H THR 14 -6.236 -6.100 -2.193 112 HA THR 14 HA THR 14 -4.738 -7.359 -0.109 113 HB THR 14 HB THR 14 -6.979 -8.266 -1.938 114 HG1 THR 14 HG1 THR 14 -7.112 -7.704 0.810 115 1HG2 THR 14 1HG2 THR 14 -5.337 -9.861 -0.234 116 2HG2 THR 14 2HG2 THR 14 -6.923 -9.713 0.524 117 3HG2 THR 14 3HG2 THR 14 -6.784 -10.347 -1.116 118 H CYS 15 H CYS 15 -3.439 -9.244 -0.144 119 HA CYS 15 HA CYS 15 -2.751 -10.398 -2.809 120 1HB CYS 15 1HB CYS 15 -0.349 -10.123 -2.218 121 2HB CYS 15 2HB CYS 15 -1.180 -8.571 -2.313 122 H TYR 16 H TYR 16 -1.620 -12.499 -2.578 123 HA TYR 16 HA TYR 16 -2.466 -13.917 -0.097 124 1HB TYR 16 1HB TYR 16 -1.977 -14.555 -2.966 125 2HB TYR 16 2HB TYR 16 -1.636 -15.840 -1.804 126 HD1 TYR 16 HD1 TYR 16 -4.245 -13.146 -2.020 127 HD2 TYR 16 HD2 TYR 16 -3.404 -17.343 -1.659 128 HE1 TYR 16 HE1 TYR 16 -6.673 -13.614 -1.818 129 HE2 TYR 16 HE2 TYR 16 -5.831 -17.811 -1.457 130 HH TYR 16 HH TYR 16 -7.870 -16.710 -0.868 131 H LYS 17 H LYS 17 0.390 -13.444 -2.195 132 HA LYS 17 HA LYS 17 2.170 -14.973 -0.472 133 1HB LYS 17 1HB LYS 17 2.283 -14.374 -3.010 134 2HB LYS 17 2HB LYS 17 2.977 -12.849 -2.457 135 1HG LYS 17 1HG LYS 17 4.969 -13.826 -2.092 136 2HG LYS 17 2HG LYS 17 4.221 -15.048 -1.065 137 1HD LYS 17 1HD LYS 17 5.391 -16.012 -3.061 138 2HD LYS 17 2HD LYS 17 3.676 -16.416 -2.995 139 1HE LYS 17 1HE LYS 17 3.126 -14.874 -4.712 140 2HE LYS 17 2HE LYS 17 4.667 -14.010 -4.541 141 1HZ LYS 17 1HZ LYS 17 4.563 -16.888 -5.220 142 2HZ LYS 17 2HZ LYS 17 4.495 -15.693 -6.426 143 3HZ LYS 17 3HZ LYS 17 5.854 -15.802 -5.418 144 H LEU 18 H LEU 18 1.493 -13.782 1.567 145 HA LEU 18 HA LEU 18 1.956 -11.027 2.050 146 1HB LEU 18 1HB LEU 18 2.109 -13.506 3.787 147 2HB LEU 18 2HB LEU 18 2.148 -11.867 4.439 148 HG LEU 18 HG LEU 18 -0.061 -12.864 2.626 149 1HD1 LEU 18 1HD1 LEU 18 0.031 -14.181 4.739 150 2HD1 LEU 18 2HD1 LEU 18 -0.043 -12.676 5.654 151 3HD1 LEU 18 3HD1 LEU 18 -1.407 -13.164 4.649 152 1HD2 LEU 18 1HD2 LEU 18 0.655 -10.318 3.287 153 2HD2 LEU 18 2HD2 LEU 18 -1.002 -10.804 2.932 154 3HD2 LEU 18 3HD2 LEU 18 -0.455 -10.696 4.604 155 H GLY 19 H GLY 19 3.781 -9.864 2.643 156 1HA GLY 19 1HA GLY 19 6.027 -9.449 3.235 157 2HA GLY 19 2HA GLY 19 6.283 -11.183 3.377 158 H GLU 20 H GLU 20 8.104 -9.453 2.161 159 HA GLU 20 HA GLU 20 9.128 -8.896 0.053 160 1HB GLU 20 1HB GLU 20 10.167 -10.955 -0.676 161 2HB GLU 20 2HB GLU 20 9.966 -11.033 1.074 162 1HG GLU 20 1HG GLU 20 7.626 -12.041 -0.369 163 2HG GLU 20 2HG GLU 20 9.093 -12.947 -0.736 164 H ASN 21 H ASN 21 6.293 -8.621 -0.375 165 HA ASN 21 HA ASN 21 5.669 -10.150 -2.826 166 1HB ASN 21 1HB ASN 21 4.085 -9.466 -0.900 167 2HB ASN 21 2HB ASN 21 4.125 -7.852 -1.610 168 1HD2 ASN 21 2HD2 ASN 21 2.107 -10.364 -1.548 169 2HD2 ASN 21 1HD2 ASN 21 1.520 -10.359 -3.141 170 H ASP 22 H ASP 22 7.358 -9.302 -4.235 171 HA ASP 22 HA ASP 22 8.195 -6.749 -4.763 172 1HB ASP 22 1HB ASP 22 7.405 -9.022 -6.592 173 2HB ASP 22 2HB ASP 22 8.183 -7.567 -7.209 174 H PHE 23 H PHE 23 5.096 -8.147 -5.870 175 HA PHE 23 HA PHE 23 4.119 -6.113 -7.505 176 1HB PHE 23 1HB PHE 23 3.156 -8.347 -6.077 177 2HB PHE 23 2HB PHE 23 2.106 -7.007 -5.616 178 HD1 PHE 23 HD1 PHE 23 3.905 -7.751 -8.821 179 HD2 PHE 23 HD2 PHE 23 0.128 -7.196 -6.852 180 HE1 PHE 23 HE1 PHE 23 2.743 -7.900 -11.009 181 HE2 PHE 23 HE2 PHE 23 -1.034 -7.343 -9.039 182 HZ PHE 23 HZ PHE 23 0.274 -7.696 -11.116 183 H CYS 24 H CYS 24 3.670 -6.277 -3.941 184 HA CYS 24 HA CYS 24 2.500 -3.706 -3.623 185 1HB CYS 24 1HB CYS 24 2.809 -5.718 -2.008 186 2HB CYS 24 2HB CYS 24 4.379 -5.002 -1.646 187 H ASN 25 H ASN 25 5.919 -4.676 -3.162 188 HA ASN 25 HA ASN 25 7.047 -2.175 -2.612 189 1HB ASN 25 1HB ASN 25 8.003 -4.578 -4.184 190 2HB ASN 25 2HB ASN 25 9.068 -3.225 -3.800 191 1HD2 ASN 25 2HD2 ASN 25 7.720 -6.145 -2.558 192 2HD2 ASN 25 1HD2 ASN 25 8.253 -5.969 -0.956 193 H ARG 26 H ARG 26 6.445 -3.633 -5.825 194 HA ARG 26 HA ARG 26 7.501 -1.616 -7.468 195 1HB ARG 26 1HB ARG 26 6.022 -3.937 -7.734 196 2HB ARG 26 2HB ARG 26 4.910 -2.705 -8.335 197 1HG ARG 26 1HG ARG 26 6.654 -1.865 -9.863 198 2HG ARG 26 2HG ARG 26 7.773 -3.086 -9.260 199 1HD ARG 26 1HD ARG 26 6.935 -4.149 -11.172 200 2HD ARG 26 2HD ARG 26 5.811 -4.749 -9.941 201 HE ARG 26 HE ARG 26 4.736 -2.306 -10.782 202 1HH1 ARG 26 1HH1 ARG 26 5.667 -5.308 -12.217 203 2HH1 ARG 26 2HH1 ARG 26 4.490 -5.214 -13.484 204 1HH2 ARG 26 1HH2 ARG 26 3.195 -2.177 -12.428 205 2HH2 ARG 26 2HH2 ARG 26 3.093 -3.444 -13.605 206 H GLU 27 H GLU 27 4.300 -1.770 -5.901 207 HA GLU 27 HA GLU 27 3.382 0.746 -7.056 208 1HB GLU 27 1HB GLU 27 2.459 -1.386 -5.258 209 2HB GLU 27 2HB GLU 27 1.869 0.210 -4.794 210 1HG GLU 27 1HG GLU 27 1.696 -0.834 -7.629 211 2HG GLU 27 2HG GLU 27 0.404 -1.057 -6.450 212 H CYS 28 H CYS 28 4.756 -0.243 -3.910 213 HA CYS 28 HA CYS 28 4.598 2.464 -2.800 214 1HB CYS 28 1HB CYS 28 4.828 -0.145 -1.861 215 2HB CYS 28 2HB CYS 28 6.413 0.549 -1.526 216 H LYS 29 H LYS 29 6.496 1.341 -5.213 217 HA LYS 29 HA LYS 29 9.012 2.580 -4.193 218 1HB LYS 29 1HB LYS 29 8.260 0.419 -6.010 219 2HB LYS 29 2HB LYS 29 9.465 1.495 -6.717 220 1HG LYS 29 1HG LYS 29 9.731 0.372 -3.920 221 2HG LYS 29 2HG LYS 29 10.395 -0.439 -5.339 222 1HD LYS 29 1HD LYS 29 12.232 0.843 -4.983 223 2HD LYS 29 2HD LYS 29 11.278 2.147 -5.690 224 1HE LYS 29 1HE LYS 29 10.710 3.043 -3.581 225 2HE LYS 29 2HE LYS 29 11.094 1.529 -2.737 226 1HZ LYS 29 1HZ LYS 29 13.420 1.872 -3.720 227 2HZ LYS 29 2HZ LYS 29 12.945 3.483 -3.952 228 3HZ LYS 29 3HZ LYS 29 12.975 2.825 -2.386 229 H TRP 30 H TRP 30 8.130 2.420 -7.601 230 HA TRP 30 HA TRP 30 8.205 4.183 -9.211 231 1HB TRP 30 1HB TRP 30 6.399 5.177 -6.991 232 2HB TRP 30 2HB TRP 30 6.492 5.931 -8.581 233 HD1 TRP 30 HD1 TRP 30 3.757 4.960 -8.035 234 HE1 TRP 30 HE1 TRP 30 2.714 2.889 -9.148 235 HE3 TRP 30 HE3 TRP 30 8.001 2.436 -9.435 236 HZ2 TRP 30 HZ2 TRP 30 3.543 0.498 -10.455 237 HZ3 TRP 30 HZ3 TRP 30 7.827 0.272 -10.611 238 HH2 TRP 30 HH2 TRP 30 5.608 -0.701 -11.123 239 H LYS 31 H LYS 31 7.701 6.562 -6.713 240 HA LYS 31 HA LYS 31 10.515 7.507 -7.126 241 1HB LYS 31 1HB LYS 31 7.830 8.798 -6.971 242 2HB LYS 31 2HB LYS 31 9.185 9.695 -6.281 243 1HG LYS 31 1HG LYS 31 10.431 9.285 -8.449 244 2HG LYS 31 2HG LYS 31 8.925 8.656 -9.115 245 1HD LYS 31 1HD LYS 31 8.397 10.778 -9.653 246 2HD LYS 31 2HD LYS 31 8.196 11.079 -7.928 247 1HE LYS 31 1HE LYS 31 11.003 11.145 -8.494 248 2HE LYS 31 2HE LYS 31 10.178 12.183 -9.672 249 1HZ LYS 31 1HZ LYS 31 9.127 12.338 -6.982 250 2HZ LYS 31 2HZ LYS 31 10.718 12.909 -7.136 251 3HZ LYS 31 3HZ LYS 31 9.483 13.584 -8.080 252 H HIS 32 H HIS 32 11.443 8.647 -5.196 253 HA HIS 32 HA HIS 32 11.319 7.083 -2.825 254 1HB HIS 32 1HB HIS 32 12.534 9.573 -3.810 255 2HB HIS 32 2HB HIS 32 12.279 9.563 -2.066 256 HD1 HIS 32 HD1 HIS 32 13.782 8.069 -0.667 257 HD2 HIS 32 HD2 HIS 32 14.210 7.378 -4.757 258 HE1 HIS 32 HE1 HIS 32 15.761 6.510 -0.928 259 H ILE 33 H ILE 33 9.860 7.085 -1.163 260 HA ILE 33 HA ILE 33 7.878 9.322 -1.017 261 HB ILE 33 HB ILE 33 7.770 6.580 0.265 262 1HG1 ILE 33 1HG1 ILE 33 6.085 6.636 -1.986 263 2HG1 ILE 33 2HG1 ILE 33 7.621 7.304 -2.541 264 1HG2 ILE 33 1HG2 ILE 33 6.120 8.895 0.350 265 2HG2 ILE 33 2HG2 ILE 33 5.260 7.679 -0.596 266 3HG2 ILE 33 3HG2 ILE 33 5.790 7.307 1.045 267 1HD1 ILE 33 1HD1 ILE 33 8.744 5.326 -1.382 268 2HD1 ILE 33 2HD1 ILE 33 7.132 4.627 -1.226 269 3HD1 ILE 33 3HD1 ILE 33 7.807 4.940 -2.825 270 H GLY 34 H GLY 34 10.206 7.428 0.863 271 1HA GLY 34 1HA GLY 34 11.086 9.336 2.617 272 2HA GLY 34 2HA GLY 34 9.578 8.810 3.365 273 H GLY 35 H GLY 35 11.830 6.795 1.522 274 1HA GLY 35 1HA GLY 35 13.001 4.860 2.149 275 2HA GLY 35 2HA GLY 35 13.223 5.643 3.715 276 H SER 36 H SER 36 10.047 5.018 2.397 277 HA SER 36 HA SER 36 9.260 3.532 4.766 278 1HB SER 36 1HB SER 36 7.106 3.756 3.817 279 2HB SER 36 2HB SER 36 7.967 5.169 3.214 280 HG SER 36 HG SER 36 6.738 3.502 1.753 281 H TYR 37 H TYR 37 9.615 1.360 5.027 282 HA TYR 37 HA TYR 37 10.503 -0.367 2.862 283 1HB TYR 37 1HB TYR 37 10.716 -0.338 5.564 284 2HB TYR 37 2HB TYR 37 9.375 -1.470 5.390 285 HD1 TYR 37 HD1 TYR 37 12.585 -0.783 3.553 286 HD2 TYR 37 HD2 TYR 37 10.018 -3.698 5.386 287 HE1 TYR 37 HE1 TYR 37 14.179 -2.578 2.929 288 HE2 TYR 37 HE2 TYR 37 11.610 -5.494 4.760 289 HH TYR 37 HH TYR 37 14.029 -5.100 2.508 290 H GLY 38 H GLY 38 9.168 -1.484 1.452 291 1HA GLY 38 1HA GLY 38 6.256 -1.529 2.108 292 2HA GLY 38 2HA GLY 38 6.913 -1.580 0.475 293 H TYR 39 H TYR 39 5.196 -3.426 2.300 294 HA TYR 39 HA TYR 39 6.116 -5.917 1.109 295 1HB TYR 39 1HB TYR 39 6.487 -7.007 3.369 296 2HB TYR 39 2HB TYR 39 7.703 -5.806 2.934 297 HD1 TYR 39 HD1 TYR 39 7.595 -3.505 3.915 298 HD2 TYR 39 HD2 TYR 39 5.024 -6.682 5.232 299 HE1 TYR 39 HE1 TYR 39 7.070 -2.225 5.974 300 HE2 TYR 39 HE2 TYR 39 4.496 -5.402 7.290 301 HH TYR 39 HH TYR 39 4.759 -3.485 8.378 302 H CYS 40 H CYS 40 4.434 -7.497 1.224 303 HA CYS 40 HA CYS 40 1.783 -6.432 1.815 304 1HB CYS 40 1HB CYS 40 3.012 -8.478 0.267 305 2HB CYS 40 2HB CYS 40 1.831 -9.260 1.317 306 H TYR 41 H TYR 41 0.718 -6.622 3.725 307 HA TYR 41 HA TYR 41 1.233 -8.951 5.498 308 1HB TYR 41 1HB TYR 41 2.373 -6.359 5.830 309 2HB TYR 41 2HB TYR 41 1.142 -6.550 7.079 310 HD1 TYR 41 HD1 TYR 41 4.029 -8.330 5.499 311 HD2 TYR 41 HD2 TYR 41 1.593 -7.825 9.002 312 HE1 TYR 41 HE1 TYR 41 5.547 -9.824 6.772 313 HE2 TYR 41 HE2 TYR 41 3.111 -9.318 10.274 314 HH TYR 41 HH TYR 41 4.773 -11.283 9.564 315 H GLY 42 H GLY 42 -0.732 -9.653 6.268 316 1HA GLY 42 1HA GLY 42 -2.957 -9.541 7.067 317 2HA GLY 42 2HA GLY 42 -2.854 -7.781 6.995 318 H PHE 43 H PHE 43 -2.107 -9.895 4.293 319 HA PHE 43 HA PHE 43 -3.057 -10.016 2.137 320 1HB PHE 43 1HB PHE 43 -5.452 -9.706 3.968 321 2HB PHE 43 2HB PHE 43 -5.596 -10.099 2.254 322 HD1 PHE 43 HD1 PHE 43 -4.378 -12.170 1.372 323 HD2 PHE 43 HD2 PHE 43 -4.931 -11.385 5.559 324 HE1 PHE 43 HE1 PHE 43 -3.925 -14.554 1.878 325 HE2 PHE 43 HE2 PHE 43 -4.472 -13.770 6.066 326 HZ PHE 43 HZ PHE 43 -3.969 -15.354 4.225 327 H GLY 44 H GLY 44 -1.946 -7.598 2.478 328 1HA GLY 44 1HA GLY 44 -3.430 -5.862 0.766 329 2HA GLY 44 2HA GLY 44 -3.595 -5.296 2.430 330 H CYS 45 H CYS 45 -2.204 -3.865 0.341 331 HA CYS 45 HA CYS 45 0.654 -4.261 0.576 332 1HB CYS 45 1HB CYS 45 -1.259 -2.567 -0.788 333 2HB CYS 45 2HB CYS 45 0.076 -1.598 -0.165 334 H TYR 46 H TYR 46 1.970 -3.597 2.226 335 HA TYR 46 HA TYR 46 1.001 -1.409 4.029 336 1HB TYR 46 1HB TYR 46 0.738 -3.847 4.820 337 2HB TYR 46 2HB TYR 46 2.499 -3.887 4.899 338 HD1 TYR 46 HD1 TYR 46 -0.279 -1.561 5.901 339 HD2 TYR 46 HD2 TYR 46 3.434 -3.429 6.978 340 HE1 TYR 46 HE1 TYR 46 -0.360 -0.444 8.116 341 HE2 TYR 46 HE2 TYR 46 3.352 -2.315 9.195 342 HH TYR 46 HH TYR 46 2.286 -0.844 10.471 343 H CYS 47 H CYS 47 2.529 0.218 4.079 344 HA CYS 47 HA CYS 47 5.367 -0.539 3.453 345 1HB CYS 47 1HB CYS 47 3.541 1.397 2.379 346 2HB CYS 47 2HB CYS 47 4.886 2.256 3.130 347 H GLU 48 H GLU 48 7.023 0.805 4.603 348 HA GLU 48 HA GLU 48 6.044 1.630 7.321 349 1HB GLU 48 1HB GLU 48 7.942 -0.289 6.417 350 2HB GLU 48 2HB GLU 48 8.845 0.997 7.220 351 1HG GLU 48 1HG GLU 48 6.613 0.586 8.854 352 2HG GLU 48 2HG GLU 48 7.122 -1.036 8.385 353 H GLY 49 H GLY 49 5.859 3.744 5.766 354 1HA GLY 49 1HA GLY 49 7.618 5.688 6.744 355 2HA GLY 49 2HA GLY 49 8.315 5.158 5.219 356 H LEU 50 H LEU 50 4.904 5.553 6.149 357 HA LEU 50 HA LEU 50 4.496 7.199 3.700 358 1HB LEU 50 1HB LEU 50 2.364 6.175 5.568 359 2HB LEU 50 2HB LEU 50 2.258 6.466 3.833 360 HG LEU 50 HG LEU 50 3.735 4.224 5.235 361 1HD1 LEU 50 1HD1 LEU 50 1.139 4.342 4.502 362 2HD1 LEU 50 2HD1 LEU 50 1.845 3.809 2.977 363 3HD1 LEU 50 3HD1 LEU 50 2.078 2.851 4.440 364 1HD2 LEU 50 1HD2 LEU 50 4.331 5.550 2.736 365 2HD2 LEU 50 2HD2 LEU 50 5.177 4.204 3.501 366 3HD2 LEU 50 3HD2 LEU 50 3.814 3.892 2.426 367 HA PRO 51 HA PRO 51 4.638 10.682 6.621 368 1HB PRO 51 1HB PRO 51 3.956 12.332 4.337 369 2HB PRO 51 2HB PRO 51 5.489 12.245 5.211 370 1HG PRO 51 1HG PRO 51 4.932 11.248 2.599 371 2HG PRO 51 2HG PRO 51 6.428 11.071 3.519 372 1HD PRO 51 1HD PRO 51 4.475 9.032 2.892 373 2HD PRO 51 2HD PRO 51 6.002 8.850 3.791 374 H ASP 52 H ASP 52 2.949 12.322 7.228 375 HA ASP 52 HA ASP 52 0.286 11.198 7.183 376 1HB ASP 52 1HB ASP 52 1.802 13.167 8.560 377 2HB ASP 52 2HB ASP 52 0.374 13.983 7.922 378 H SER 53 H SER 53 1.967 13.550 5.199 379 HA SER 53 HA SER 53 -0.439 14.740 4.049 380 1HB SER 53 1HB SER 53 2.518 14.857 3.734 381 2HB SER 53 2HB SER 53 1.561 15.365 2.346 382 HG SER 53 HG SER 53 0.421 16.758 3.805 383 H THR 54 H THR 54 0.969 11.712 3.665 384 HA THR 54 HA THR 54 0.407 11.495 0.761 385 HB THR 54 HB THR 54 1.107 9.043 2.153 386 HG1 THR 54 HG1 THR 54 2.398 9.850 3.576 387 1HG2 THR 54 1HG2 THR 54 2.224 10.809 0.004 388 2HG2 THR 54 2HG2 THR 54 3.227 9.522 0.672 389 3HG2 THR 54 3HG2 THR 54 1.689 9.131 -0.097 390 H GLN 55 H GLN 55 -0.951 9.622 0.027 391 HA GLN 55 HA GLN 55 -3.450 9.487 1.592 392 1HB GLN 55 1HB GLN 55 -2.587 9.358 -1.133 393 2HB GLN 55 2HB GLN 55 -3.445 7.863 -0.766 394 1HG GLN 55 1HG GLN 55 -4.468 10.689 -0.385 395 2HG GLN 55 2HG GLN 55 -5.071 9.487 -1.525 396 1HE2 GLN 55 2HE2 GLN 55 -6.273 7.628 -0.631 397 2HE2 GLN 55 1HE2 GLN 55 -6.947 7.704 0.925 398 H THR 56 H THR 56 -3.792 7.835 3.026 399 HA THR 56 HA THR 56 -2.425 5.217 2.507 400 HB THR 56 HB THR 56 -2.677 5.339 5.223 401 HG1 THR 56 HG1 THR 56 -3.171 7.338 5.648 402 1HG2 THR 56 1HG2 THR 56 -0.650 5.018 3.575 403 2HG2 THR 56 2HG2 THR 56 -0.339 6.714 3.947 404 3HG2 THR 56 3HG2 THR 56 -0.359 5.516 5.242 405 H TRP 57 H TRP 57 -3.794 3.467 2.568 406 HA TRP 57 HA TRP 57 -6.614 3.693 2.610 407 1HB TRP 57 1HB TRP 57 -4.882 1.842 1.875 408 2HB TRP 57 2HB TRP 57 -5.140 1.233 3.506 409 HD1 TRP 57 HD1 TRP 57 -6.924 1.795 0.186 410 HE1 TRP 57 HE1 TRP 57 -9.132 0.467 0.186 411 HE3 TRP 57 HE3 TRP 57 -7.001 0.208 5.038 412 HZ2 TRP 57 HZ2 TRP 57 -10.723 -1.064 2.002 413 HZ3 TRP 57 HZ3 TRP 57 -8.874 -1.183 5.875 414 HH2 TRP 57 HH2 TRP 57 -10.733 -1.821 4.365 415 HA PRO 58 HA PRO 58 -8.385 2.676 3.148 416 1HB PRO 58 1HB PRO 58 -10.530 3.893 4.504 417 2HB PRO 58 2HB PRO 58 -10.198 2.160 4.413 418 1HG PRO 58 1HG PRO 58 -9.936 3.939 6.698 419 2HG PRO 58 2HG PRO 58 -9.819 2.179 6.647 420 1HD PRO 58 1HD PRO 58 -7.671 4.079 6.929 421 2HD PRO 58 2HD PRO 58 -7.551 2.303 6.845 422 H LEU 59 H LEU 59 -9.884 4.315 1.980 423 HA LEU 59 HA LEU 59 -8.456 6.873 1.697 424 1HB LEU 59 1HB LEU 59 -10.204 5.118 0.197 425 2HB LEU 59 2HB LEU 59 -10.814 6.773 0.136 426 HG LEU 59 HG LEU 59 -8.391 7.456 -0.421 427 1HD1 LEU 59 1HD1 LEU 59 -8.212 4.516 -0.319 428 2HD1 LEU 59 2HD1 LEU 59 -7.524 5.229 -1.779 429 3HD1 LEU 59 3HD1 LEU 59 -6.933 5.725 -0.192 430 1HD2 LEU 59 1HD2 LEU 59 -10.404 6.088 -2.129 431 2HD2 LEU 59 2HD2 LEU 59 -9.727 7.710 -2.272 432 3HD2 LEU 59 3HD2 LEU 59 -8.808 6.317 -2.843 433 HA PRO 60 HA PRO 60 -11.144 9.608 3.862 434 1HB PRO 60 1HB PRO 60 -12.177 11.015 1.556 435 2HB PRO 60 2HB PRO 60 -10.949 11.549 2.708 436 1HG PRO 60 1HG PRO 60 -10.548 10.744 0.000 437 2HG PRO 60 2HG PRO 60 -9.315 11.188 1.184 438 1HD PRO 60 1HD PRO 60 -9.891 8.560 0.121 439 2HD PRO 60 2HD PRO 60 -8.635 9.014 1.299 440 H ASN 61 H ASN 61 -13.602 10.716 3.264 441 HA ASN 61 HA ASN 61 -15.491 8.711 3.759 442 1HB ASN 61 1HB ASN 61 -15.407 11.504 2.901 443 2HB ASN 61 2HB ASN 61 -16.815 10.661 2.252 444 1HD2 ASN 61 2HD2 ASN 61 -18.583 10.726 3.646 445 2HD2 ASN 61 1HD2 ASN 61 -18.490 10.805 5.339 446 H LYS 62 H LYS 62 -13.982 9.627 0.759 447 HA LYS 62 HA LYS 62 -15.915 8.238 -0.965 448 1HB LYS 62 1HB LYS 62 -13.202 9.541 -1.299 449 2HB LYS 62 2HB LYS 62 -14.029 8.753 -2.643 450 1HG LYS 62 1HG LYS 62 -15.678 10.361 -2.753 451 2HG LYS 62 2HG LYS 62 -15.588 10.722 -1.028 452 1HD LYS 62 1HD LYS 62 -13.181 11.603 -1.633 453 2HD LYS 62 2HD LYS 62 -13.846 11.719 -3.261 454 1HE LYS 62 1HE LYS 62 -14.282 13.852 -2.273 455 2HE LYS 62 2HE LYS 62 -15.826 12.985 -2.147 456 1HZ LYS 62 1HZ LYS 62 -15.028 12.166 0.059 457 2HZ LYS 62 2HZ LYS 62 -13.739 13.261 -0.054 458 3HZ LYS 62 3HZ LYS 62 -15.337 13.834 0.002 459 H THR 63 H THR 63 -15.181 6.394 0.916 460 HA THR 63 HA THR 63 -12.828 4.855 0.359 461 HB THR 63 HB THR 63 -14.047 4.652 2.429 462 HG1 THR 63 HG1 THR 63 -14.144 2.464 2.533 463 1HG2 THR 63 1HG2 THR 63 -16.295 4.899 0.810 464 2HG2 THR 63 2HG2 THR 63 -16.387 3.242 1.402 465 3HG2 THR 63 3HG2 THR 63 -16.304 4.583 2.545 466 H CYS 64 H CYS 64 -13.115 2.459 -0.324 467 HA CYS 64 HA CYS 64 -14.474 2.431 -2.977 468 1HB CYS 64 1HB CYS 64 -12.061 1.943 -2.813 469 2HB CYS 64 2HB CYS 64 -12.397 0.627 -1.690 Start of MODEL 18 1 1H LYS 1 1H LYS 1 6.231 4.920 10.236 2 2H LYS 1 2H LYS 1 5.917 6.589 10.151 3 3H LYS 1 3H LYS 1 5.823 5.784 11.640 4 HA LYS 1 HA LYS 1 3.755 4.993 11.259 5 1HB LYS 1 1HB LYS 1 4.311 7.553 10.250 6 2HB LYS 1 2HB LYS 1 3.285 6.801 9.027 7 1HG LYS 1 1HG LYS 1 2.627 6.787 11.981 8 2HG LYS 1 2HG LYS 1 2.023 8.008 10.860 9 1HD LYS 1 1HD LYS 1 1.607 5.022 10.528 10 2HD LYS 1 2HD LYS 1 0.410 6.127 11.204 11 1HE LYS 1 1HE LYS 1 1.108 7.405 8.855 12 2HE LYS 1 2HE LYS 1 1.153 5.692 8.392 13 1HZ LYS 1 1HZ LYS 1 -1.004 5.730 9.947 14 2HZ LYS 1 2HZ LYS 1 -1.089 7.302 9.308 15 3HZ LYS 1 3HZ LYS 1 -1.071 5.959 8.267 16 H ASP 2 H ASP 2 2.633 3.426 10.113 17 HA ASP 2 HA ASP 2 3.653 2.764 7.367 18 1HB ASP 2 1HB ASP 2 2.396 0.895 9.396 19 2HB ASP 2 2HB ASP 2 3.320 0.458 7.958 20 H GLY 3 H GLY 3 2.077 2.352 5.776 21 1HA GLY 3 1HA GLY 3 -0.780 2.422 6.599 22 2HA GLY 3 2HA GLY 3 -0.222 3.604 5.412 23 H TYR 4 H TYR 4 -2.176 1.942 4.550 24 HA TYR 4 HA TYR 4 -0.842 -0.296 3.095 25 1HB TYR 4 1HB TYR 4 -3.641 0.445 3.902 26 2HB TYR 4 2HB TYR 4 -3.394 -0.697 2.579 27 HD1 TYR 4 HD1 TYR 4 -2.197 -2.832 2.959 28 HD2 TYR 4 HD2 TYR 4 -3.109 -0.139 6.180 29 HE1 TYR 4 HE1 TYR 4 -1.733 -4.634 4.598 30 HE2 TYR 4 HE2 TYR 4 -2.646 -1.942 7.818 31 HH TYR 4 HH TYR 4 -2.733 -4.654 7.634 32 H LEU 5 H LEU 5 -1.822 -0.599 0.791 33 HA LEU 5 HA LEU 5 -1.677 2.042 -0.597 34 1HB LEU 5 1HB LEU 5 -0.521 -0.566 -0.928 35 2HB LEU 5 2HB LEU 5 -1.483 -0.196 -2.357 36 HG LEU 5 HG LEU 5 0.859 1.338 -1.226 37 1HD1 LEU 5 1HD1 LEU 5 0.181 -0.204 -3.675 38 2HD1 LEU 5 2HD1 LEU 5 1.178 1.232 -3.899 39 3HD1 LEU 5 3HD1 LEU 5 1.717 -0.060 -2.829 40 1HD2 LEU 5 1HD2 LEU 5 -1.371 2.302 -3.014 41 2HD2 LEU 5 2HD2 LEU 5 -0.624 3.127 -1.647 42 3HD2 LEU 5 3HD2 LEU 5 0.251 2.971 -3.168 43 H VAL 6 H VAL 6 -3.122 2.346 -2.461 44 HA VAL 6 HA VAL 6 -5.706 0.868 -2.149 45 HB VAL 6 HB VAL 6 -6.736 2.935 -2.924 46 1HG1 VAL 6 1HG1 VAL 6 -4.876 2.870 -0.667 47 2HG1 VAL 6 2HG1 VAL 6 -5.195 4.503 -1.240 48 3HG1 VAL 6 3HG1 VAL 6 -6.532 3.470 -0.736 49 1HG2 VAL 6 1HG2 VAL 6 -3.877 3.664 -3.549 50 2HG2 VAL 6 2HG2 VAL 6 -5.288 3.741 -4.602 51 3HG2 VAL 6 3HG2 VAL 6 -5.093 4.916 -3.303 52 H GLU 7 H GLU 7 -6.946 1.435 -4.478 53 HA GLU 7 HA GLU 7 -5.211 0.113 -6.521 54 1HB GLU 7 1HB GLU 7 -7.652 -0.544 -5.550 55 2HB GLU 7 2HB GLU 7 -8.143 0.486 -6.895 56 1HG GLU 7 1HG GLU 7 -6.497 -0.898 -8.318 57 2HG GLU 7 2HG GLU 7 -6.502 -2.048 -6.982 58 H LYS 8 H LYS 8 -5.807 0.864 -8.863 59 HA LYS 8 HA LYS 8 -5.068 3.517 -9.328 60 1HB LYS 8 1HB LYS 8 -5.571 1.384 -10.853 61 2HB LYS 8 2HB LYS 8 -7.099 2.226 -11.113 62 1HG LYS 8 1HG LYS 8 -5.437 4.302 -11.466 63 2HG LYS 8 2HG LYS 8 -4.343 3.004 -11.943 64 1HD LYS 8 1HD LYS 8 -6.942 2.551 -13.108 65 2HD LYS 8 2HD LYS 8 -6.391 4.180 -13.504 66 1HE LYS 8 1HE LYS 8 -4.448 1.900 -13.766 67 2HE LYS 8 2HE LYS 8 -5.655 2.163 -15.040 68 1HZ LYS 8 1HZ LYS 8 -3.957 4.327 -13.925 69 2HZ LYS 8 2HZ LYS 8 -3.551 3.458 -15.327 70 3HZ LYS 8 3HZ LYS 8 -4.960 4.402 -15.294 71 H THR 9 H THR 9 -8.186 2.282 -8.344 72 HA THR 9 HA THR 9 -9.506 4.891 -8.889 73 HB THR 9 HB THR 9 -11.527 3.590 -8.520 74 HG1 THR 9 HG1 THR 9 -9.904 1.378 -7.890 75 1HG2 THR 9 1HG2 THR 9 -9.847 3.200 -10.583 76 2HG2 THR 9 2HG2 THR 9 -9.880 1.562 -9.934 77 3HG2 THR 9 3HG2 THR 9 -11.380 2.339 -10.437 78 H GLY 10 H GLY 10 -8.242 2.917 -6.299 79 1HA GLY 10 1HA GLY 10 -7.726 4.363 -4.242 80 2HA GLY 10 2HA GLY 10 -9.438 4.786 -4.295 81 H CYS 11 H CYS 11 -9.703 1.796 -5.291 82 HA CYS 11 HA CYS 11 -10.714 0.684 -2.893 83 1HB CYS 11 1HB CYS 11 -9.798 -0.312 -5.564 84 2HB CYS 11 2HB CYS 11 -10.175 -1.500 -4.315 85 H LYS 12 H LYS 12 -9.594 -1.757 -2.440 86 HA LYS 12 HA LYS 12 -7.085 -1.059 -1.050 87 1HB LYS 12 1HB LYS 12 -8.679 -3.635 -1.123 88 2HB LYS 12 2HB LYS 12 -7.534 -3.126 0.117 89 1HG LYS 12 1HG LYS 12 -9.157 -2.019 1.208 90 2HG LYS 12 2HG LYS 12 -9.497 -1.065 -0.235 91 1HD LYS 12 1HD LYS 12 -10.514 -3.764 -0.530 92 2HD LYS 12 2HD LYS 12 -11.164 -3.004 0.924 93 1HE LYS 12 1HE LYS 12 -12.498 -1.644 -0.305 94 2HE LYS 12 2HE LYS 12 -11.136 -1.143 -1.327 95 1HZ LYS 12 1HZ LYS 12 -12.014 -3.888 -1.660 96 2HZ LYS 12 2HZ LYS 12 -13.119 -2.712 -2.190 97 3HZ LYS 12 3HZ LYS 12 -11.550 -2.748 -2.831 98 H LYS 13 H LYS 13 -5.739 -3.421 -0.994 99 HA LYS 13 HA LYS 13 -5.319 -4.482 -3.712 100 1HB LYS 13 1HB LYS 13 -4.139 -2.187 -3.393 101 2HB LYS 13 2HB LYS 13 -3.036 -3.064 -2.330 102 1HG LYS 13 1HG LYS 13 -2.041 -3.103 -4.511 103 2HG LYS 13 2HG LYS 13 -2.701 -4.716 -4.237 104 1HD LYS 13 1HD LYS 13 -4.666 -4.204 -5.560 105 2HD LYS 13 2HD LYS 13 -4.173 -2.518 -5.714 106 1HE LYS 13 1HE LYS 13 -3.095 -3.105 -7.621 107 2HE LYS 13 2HE LYS 13 -1.959 -4.023 -6.614 108 1HZ LYS 13 1HZ LYS 13 -4.120 -5.623 -6.627 109 2HZ LYS 13 2HZ LYS 13 -4.196 -4.968 -8.190 110 3HZ LYS 13 3HZ LYS 13 -2.800 -5.795 -7.681 111 H THR 14 H THR 14 -6.035 -6.223 -1.972 112 HA THR 14 HA THR 14 -4.057 -7.107 -0.044 113 HB THR 14 HB THR 14 -6.526 -8.325 -1.307 114 HG1 THR 14 HG1 THR 14 -6.117 -7.524 1.361 115 1HG2 THR 14 1HG2 THR 14 -4.429 -9.650 0.104 116 2HG2 THR 14 2HG2 THR 14 -5.832 -9.569 1.169 117 3HG2 THR 14 3HG2 THR 14 -5.976 -10.313 -0.422 118 H CYS 15 H CYS 15 -2.592 -8.831 -0.228 119 HA CYS 15 HA CYS 15 -2.105 -9.842 -3.010 120 1HB CYS 15 1HB CYS 15 0.232 -9.918 -2.356 121 2HB CYS 15 2HB CYS 15 -0.400 -8.340 -1.889 122 H TYR 16 H TYR 16 -1.253 -12.115 -3.082 123 HA TYR 16 HA TYR 16 -2.664 -13.820 -1.115 124 1HB TYR 16 1HB TYR 16 -1.139 -14.342 -3.685 125 2HB TYR 16 2HB TYR 16 -1.970 -15.593 -2.763 126 HD1 TYR 16 HD1 TYR 16 -4.448 -14.520 -1.915 127 HD2 TYR 16 HD2 TYR 16 -2.354 -13.750 -5.585 128 HE1 TYR 16 HE1 TYR 16 -6.588 -13.905 -3.007 129 HE2 TYR 16 HE2 TYR 16 -4.493 -13.133 -6.677 130 HH TYR 16 HH TYR 16 -7.533 -13.779 -5.266 131 H LYS 17 H LYS 17 0.654 -13.487 -2.425 132 HA LYS 17 HA LYS 17 1.728 -15.190 -0.256 133 1HB LYS 17 1HB LYS 17 2.345 -14.786 -2.888 134 2HB LYS 17 2HB LYS 17 3.517 -13.723 -2.109 135 1HG LYS 17 1HG LYS 17 4.637 -15.795 -2.200 136 2HG LYS 17 2HG LYS 17 4.007 -15.740 -0.554 137 1HD LYS 17 1HD LYS 17 2.187 -17.194 -1.103 138 2HD LYS 17 2HD LYS 17 2.495 -17.035 -2.832 139 1HE LYS 17 1HE LYS 17 4.901 -17.954 -1.531 140 2HE LYS 17 2HE LYS 17 3.546 -19.015 -1.097 141 1HZ LYS 17 1HZ LYS 17 4.009 -18.072 -3.867 142 2HZ LYS 17 2HZ LYS 17 4.676 -19.518 -3.285 143 3HZ LYS 17 3HZ LYS 17 2.989 -19.326 -3.347 144 H LEU 18 H LEU 18 2.797 -14.360 1.534 145 HA LEU 18 HA LEU 18 2.861 -11.392 1.812 146 1HB LEU 18 1HB LEU 18 3.114 -13.664 3.807 147 2HB LEU 18 2HB LEU 18 3.010 -11.950 4.216 148 HG LEU 18 HG LEU 18 0.900 -13.380 2.585 149 1HD1 LEU 18 1HD1 LEU 18 1.354 -14.130 5.090 150 2HD1 LEU 18 2HD1 LEU 18 0.500 -12.632 5.457 151 3HD1 LEU 18 3HD1 LEU 18 -0.294 -13.887 4.509 152 1HD2 LEU 18 1HD2 LEU 18 1.325 -10.753 2.719 153 2HD2 LEU 18 2HD2 LEU 18 -0.312 -11.407 2.737 154 3HD2 LEU 18 3HD2 LEU 18 0.462 -10.927 4.248 155 H GLY 19 H GLY 19 4.789 -11.095 3.736 156 1HA GLY 19 1HA GLY 19 7.145 -11.249 4.161 157 2HA GLY 19 2HA GLY 19 7.291 -12.349 2.788 158 H GLU 20 H GLU 20 9.146 -10.874 2.238 159 HA GLU 20 HA GLU 20 8.766 -8.135 1.496 160 1HB GLU 20 1HB GLU 20 10.885 -8.512 0.257 161 2HB GLU 20 2HB GLU 20 10.946 -9.253 1.857 162 1HG GLU 20 1HG GLU 20 11.191 -11.314 0.981 163 2HG GLU 20 2HG GLU 20 9.824 -11.078 -0.110 164 H ASN 21 H ASN 21 6.580 -8.465 0.434 165 HA ASN 21 HA ASN 21 6.467 -9.817 -2.156 166 1HB ASN 21 1HB ASN 21 4.624 -9.587 -0.445 167 2HB ASN 21 2HB ASN 21 4.550 -7.870 -0.845 168 1HD2 ASN 21 2HD2 ASN 21 2.471 -9.997 -1.325 169 2HD2 ASN 21 1HD2 ASN 21 2.177 -9.965 -2.997 170 H ASP 22 H ASP 22 8.071 -8.661 -3.436 171 HA ASP 22 HA ASP 22 8.387 -5.904 -3.760 172 1HB ASP 22 1HB ASP 22 9.541 -7.973 -4.842 173 2HB ASP 22 2HB ASP 22 8.300 -7.825 -6.087 174 H PHE 23 H PHE 23 5.840 -8.007 -5.049 175 HA PHE 23 HA PHE 23 4.614 -6.396 -6.969 176 1HB PHE 23 1HB PHE 23 4.052 -8.735 -5.883 177 2HB PHE 23 2HB PHE 23 2.992 -7.779 -4.848 178 HD1 PHE 23 HD1 PHE 23 1.562 -5.939 -6.182 179 HD2 PHE 23 HD2 PHE 23 3.140 -9.559 -7.871 180 HE1 PHE 23 HE1 PHE 23 -0.127 -5.830 -7.994 181 HE2 PHE 23 HE2 PHE 23 1.451 -9.449 -9.684 182 HZ PHE 23 HZ PHE 23 -0.182 -7.584 -9.745 183 H CYS 24 H CYS 24 3.812 -6.383 -3.469 184 HA CYS 24 HA CYS 24 2.122 -4.079 -3.567 185 1HB CYS 24 1HB CYS 24 3.781 -5.412 -1.408 186 2HB CYS 24 2HB CYS 24 2.662 -4.093 -1.068 187 H ASN 25 H ASN 25 5.539 -4.353 -2.476 188 HA ASN 25 HA ASN 25 6.079 -1.654 -1.979 189 1HB ASN 25 1HB ASN 25 7.695 -3.365 -1.512 190 2HB ASN 25 2HB ASN 25 7.726 -3.884 -3.197 191 1HD2 ASN 25 2HD2 ASN 25 10.192 -3.409 -2.690 192 2HD2 ASN 25 1HD2 ASN 25 10.724 -1.835 -3.039 193 H ARG 26 H ARG 26 6.211 -3.371 -5.112 194 HA ARG 26 HA ARG 26 7.126 -1.236 -6.737 195 1HB ARG 26 1HB ARG 26 5.316 -3.621 -7.160 196 2HB ARG 26 2HB ARG 26 5.767 -2.559 -8.494 197 1HG ARG 26 1HG ARG 26 7.673 -4.091 -6.701 198 2HG ARG 26 2HG ARG 26 7.327 -4.437 -8.395 199 1HD ARG 26 1HD ARG 26 8.039 -1.730 -8.393 200 2HD ARG 26 2HD ARG 26 9.182 -2.492 -7.271 201 HE ARG 26 HE ARG 26 9.003 -4.260 -9.427 202 1HH1 ARG 26 1HH1 ARG 26 9.783 -0.931 -8.945 203 2HH1 ARG 26 2HH1 ARG 26 10.891 -0.865 -10.274 204 1HH2 ARG 26 1HH2 ARG 26 10.441 -4.186 -11.165 205 2HH2 ARG 26 2HH2 ARG 26 11.262 -2.706 -11.531 206 H GLU 27 H GLU 27 3.733 -2.257 -6.147 207 HA GLU 27 HA GLU 27 2.479 -0.072 -7.473 208 1HB GLU 27 1HB GLU 27 1.803 -2.346 -5.950 209 2HB GLU 27 2HB GLU 27 1.084 -0.986 -5.089 210 1HG GLU 27 1HG GLU 27 0.722 -1.587 -8.039 211 2HG GLU 27 2HG GLU 27 -0.478 -1.873 -6.778 212 H CYS 28 H CYS 28 3.652 -0.460 -4.148 213 HA CYS 28 HA CYS 28 2.694 2.133 -3.219 214 1HB CYS 28 1HB CYS 28 3.324 -0.141 -2.009 215 2HB CYS 28 2HB CYS 28 4.936 0.564 -1.979 216 H LYS 29 H LYS 29 5.171 1.256 -5.308 217 HA LYS 29 HA LYS 29 7.284 3.025 -4.400 218 1HB LYS 29 1HB LYS 29 7.491 0.974 -5.847 219 2HB LYS 29 2HB LYS 29 6.717 1.876 -7.149 220 1HG LYS 29 1HG LYS 29 8.520 3.384 -7.341 221 2HG LYS 29 2HG LYS 29 9.154 2.963 -5.748 222 1HD LYS 29 1HD LYS 29 9.007 0.595 -7.387 223 2HD LYS 29 2HD LYS 29 9.912 1.850 -8.236 224 1HE LYS 29 1HE LYS 29 11.544 0.719 -6.904 225 2HE LYS 29 2HE LYS 29 11.165 2.189 -5.985 226 1HZ LYS 29 1HZ LYS 29 9.332 0.021 -5.504 227 2HZ LYS 29 2HZ LYS 29 10.925 -0.342 -5.036 228 3HZ LYS 29 3HZ LYS 29 10.138 1.020 -4.394 229 H TRP 30 H TRP 30 4.749 3.283 -6.917 230 HA TRP 30 HA TRP 30 5.386 5.650 -8.184 231 1HB TRP 30 1HB TRP 30 2.655 4.939 -7.074 232 2HB TRP 30 2HB TRP 30 2.987 5.916 -8.501 233 HD1 TRP 30 HD1 TRP 30 1.506 2.907 -8.132 234 HE1 TRP 30 HE1 TRP 30 2.220 1.099 -9.822 235 HE3 TRP 30 HE3 TRP 30 5.928 4.899 -9.755 236 HZ2 TRP 30 HZ2 TRP 30 4.373 0.565 -11.621 237 HZ3 TRP 30 HZ3 TRP 30 7.284 3.717 -11.454 238 HH2 TRP 30 HH2 TRP 30 6.514 1.555 -12.391 239 H LYS 31 H LYS 31 3.014 5.856 -5.517 240 HA LYS 31 HA LYS 31 3.960 8.587 -4.914 241 1HB LYS 31 1HB LYS 31 1.776 6.887 -3.665 242 2HB LYS 31 2HB LYS 31 1.949 8.637 -3.529 243 1HG LYS 31 1HG LYS 31 0.776 8.900 -5.426 244 2HG LYS 31 2HG LYS 31 1.994 7.975 -6.304 245 1HD LYS 31 1HD LYS 31 -0.052 6.799 -6.635 246 2HD LYS 31 2HD LYS 31 0.827 5.877 -5.413 247 1HE LYS 31 1HE LYS 31 -1.132 6.040 -4.234 248 2HE LYS 31 2HE LYS 31 -0.554 7.675 -3.854 249 1HZ LYS 31 1HZ LYS 31 -1.980 7.100 -6.376 250 2HZ LYS 31 2HZ LYS 31 -2.836 7.465 -4.955 251 3HZ LYS 31 3HZ LYS 31 -1.750 8.595 -5.610 252 H HIS 32 H HIS 32 5.433 8.983 -3.311 253 HA HIS 32 HA HIS 32 5.449 7.524 -0.801 254 1HB HIS 32 1HB HIS 32 6.725 6.344 -3.007 255 2HB HIS 32 2HB HIS 32 8.032 7.039 -2.048 256 HD1 HIS 32 HD1 HIS 32 8.858 4.805 -1.075 257 HD2 HIS 32 HD2 HIS 32 4.828 5.537 -0.308 258 HE1 HIS 32 HE1 HIS 32 8.128 3.074 0.623 259 H ILE 33 H ILE 33 7.115 8.393 0.662 260 HA ILE 33 HA ILE 33 8.490 10.859 -0.333 261 HB ILE 33 HB ILE 33 6.627 10.491 2.023 262 1HG1 ILE 33 1HG1 ILE 33 6.448 12.843 0.249 263 2HG1 ILE 33 2HG1 ILE 33 6.153 11.303 -0.557 264 1HG2 ILE 33 1HG2 ILE 33 8.773 12.531 1.523 265 2HG2 ILE 33 2HG2 ILE 33 7.283 13.028 2.327 266 3HG2 ILE 33 3HG2 ILE 33 8.292 11.768 3.038 267 1HD1 ILE 33 1HD1 ILE 33 4.825 11.369 2.016 268 2HD1 ILE 33 2HD1 ILE 33 4.337 12.748 1.032 269 3HD1 ILE 33 3HD1 ILE 33 4.132 11.109 0.415 270 H GLY 34 H GLY 34 8.122 8.611 2.435 271 1HA GLY 34 1HA GLY 34 10.824 9.230 3.394 272 2HA GLY 34 2HA GLY 34 9.722 8.048 4.099 273 H GLY 35 H GLY 35 9.194 6.286 2.205 274 1HA GLY 35 1HA GLY 35 10.047 4.535 0.885 275 2HA GLY 35 2HA GLY 35 11.445 5.551 0.547 276 H SER 36 H SER 36 10.062 3.913 3.401 277 HA SER 36 HA SER 36 12.806 3.321 4.363 278 1HB SER 36 1HB SER 36 11.777 3.398 6.390 279 2HB SER 36 2HB SER 36 10.377 4.017 5.522 280 HG SER 36 HG SER 36 9.606 2.256 6.515 281 H TYR 37 H TYR 37 9.769 1.452 3.962 282 HA TYR 37 HA TYR 37 11.081 -0.694 2.509 283 1HB TYR 37 1HB TYR 37 11.702 -0.675 5.124 284 2HB TYR 37 2HB TYR 37 10.177 -1.555 5.219 285 HD1 TYR 37 HD1 TYR 37 13.519 -1.521 3.568 286 HD2 TYR 37 HD2 TYR 37 10.010 -3.815 4.510 287 HE1 TYR 37 HE1 TYR 37 14.653 -3.582 2.779 288 HE2 TYR 37 HE2 TYR 37 11.145 -5.874 3.719 289 HH TYR 37 HH TYR 37 13.277 -6.207 1.880 290 H GLY 38 H GLY 38 9.453 -1.618 1.318 291 1HA GLY 38 1HA GLY 38 6.672 -1.406 2.397 292 2HA GLY 38 2HA GLY 38 7.062 -1.370 0.678 293 H TYR 39 H TYR 39 5.583 -3.284 2.730 294 HA TYR 39 HA TYR 39 6.260 -5.728 1.229 295 1HB TYR 39 1HB TYR 39 7.198 -6.904 3.019 296 2HB TYR 39 2HB TYR 39 7.811 -5.282 3.330 297 HD1 TYR 39 HD1 TYR 39 5.355 -7.840 4.349 298 HD2 TYR 39 HD2 TYR 39 6.965 -3.946 5.184 299 HE1 TYR 39 HE1 TYR 39 4.228 -7.848 6.557 300 HE2 TYR 39 HE2 TYR 39 5.838 -3.955 7.393 301 HH TYR 39 HH TYR 39 3.695 -5.188 8.356 302 H CYS 40 H CYS 40 4.618 -7.423 1.624 303 HA CYS 40 HA CYS 40 1.988 -6.261 2.218 304 1HB CYS 40 1HB CYS 40 2.942 -8.134 0.494 305 2HB CYS 40 2HB CYS 40 2.331 -9.175 1.781 306 H TYR 41 H TYR 41 0.847 -6.540 4.102 307 HA TYR 41 HA TYR 41 1.864 -8.543 6.090 308 1HB TYR 41 1HB TYR 41 2.619 -6.384 6.809 309 2HB TYR 41 2HB TYR 41 1.071 -5.638 6.408 310 HD1 TYR 41 HD1 TYR 41 1.294 -8.952 7.998 311 HD2 TYR 41 HD2 TYR 41 0.693 -4.749 8.655 312 HE1 TYR 41 HE1 TYR 41 0.467 -9.428 10.287 313 HE2 TYR 41 HE2 TYR 41 -0.134 -5.226 10.945 314 HH TYR 41 HH TYR 41 -0.850 -8.439 12.006 315 H GLY 42 H GLY 42 0.234 -9.937 6.666 316 1HA GLY 42 1HA GLY 42 -1.931 -10.797 6.968 317 2HA GLY 42 2HA GLY 42 -2.403 -9.147 7.374 318 H PHE 43 H PHE 43 -1.404 -10.910 4.421 319 HA PHE 43 HA PHE 43 -2.243 -10.715 2.212 320 1HB PHE 43 1HB PHE 43 -4.770 -10.602 3.891 321 2HB PHE 43 2HB PHE 43 -4.686 -11.082 2.196 322 HD1 PHE 43 HD1 PHE 43 -3.345 -11.939 5.582 323 HD2 PHE 43 HD2 PHE 43 -4.226 -13.315 1.608 324 HE1 PHE 43 HE1 PHE 43 -2.807 -14.261 6.265 325 HE2 PHE 43 HE2 PHE 43 -3.687 -15.636 2.293 326 HZ PHE 43 HZ PHE 43 -2.979 -16.109 4.621 327 H GLY 44 H GLY 44 -1.280 -8.267 2.829 328 1HA GLY 44 1HA GLY 44 -2.998 -6.476 1.355 329 2HA GLY 44 2HA GLY 44 -2.988 -6.064 3.071 330 H CYS 45 H CYS 45 -1.714 -4.898 0.443 331 HA CYS 45 HA CYS 45 1.143 -4.970 0.840 332 1HB CYS 45 1HB CYS 45 -0.667 -2.948 -0.524 333 2HB CYS 45 2HB CYS 45 1.069 -3.110 -0.789 334 H TYR 46 H TYR 46 2.072 -4.155 2.688 335 HA TYR 46 HA TYR 46 0.912 -1.650 3.860 336 1HB TYR 46 1HB TYR 46 0.985 -3.977 5.057 337 2HB TYR 46 2HB TYR 46 2.694 -3.612 5.287 338 HD1 TYR 46 HD1 TYR 46 -0.395 -1.485 5.350 339 HD2 TYR 46 HD2 TYR 46 3.056 -2.899 7.482 340 HE1 TYR 46 HE1 TYR 46 -0.972 -0.014 7.260 341 HE2 TYR 46 HE2 TYR 46 2.478 -1.430 9.393 342 HH TYR 46 HH TYR 46 -0.546 0.094 9.690 343 H CYS 47 H CYS 47 2.204 0.126 3.730 344 HA CYS 47 HA CYS 47 5.127 -0.256 3.180 345 1HB CYS 47 1HB CYS 47 3.331 2.136 2.665 346 2HB CYS 47 2HB CYS 47 4.954 1.873 2.024 347 H GLU 48 H GLU 48 6.583 0.655 4.653 348 HA GLU 48 HA GLU 48 5.379 2.118 6.979 349 1HB GLU 48 1HB GLU 48 7.972 0.559 6.764 350 2HB GLU 48 2HB GLU 48 7.214 1.146 8.246 351 1HG GLU 48 1HG GLU 48 5.711 -0.559 8.300 352 2HG GLU 48 2HG GLU 48 5.456 -0.515 6.555 353 H GLY 49 H GLY 49 6.564 3.928 7.846 354 1HA GLY 49 1HA GLY 49 8.453 5.477 7.799 355 2HA GLY 49 2HA GLY 49 8.744 5.013 6.124 356 H LEU 50 H LEU 50 6.738 5.456 4.686 357 HA LEU 50 HA LEU 50 6.298 8.023 4.045 358 1HB LEU 50 1HB LEU 50 3.862 7.216 3.550 359 2HB LEU 50 2HB LEU 50 5.206 6.372 2.785 360 HG LEU 50 HG LEU 50 4.518 5.337 5.454 361 1HD1 LEU 50 1HD1 LEU 50 2.264 5.986 4.500 362 2HD1 LEU 50 2HD1 LEU 50 2.578 4.865 3.176 363 3HD1 LEU 50 3HD1 LEU 50 2.457 4.264 4.829 364 1HD2 LEU 50 1HD2 LEU 50 5.410 4.410 2.791 365 2HD2 LEU 50 2HD2 LEU 50 5.878 3.845 4.394 366 3HD2 LEU 50 3HD2 LEU 50 4.380 3.278 3.664 367 HA PRO 51 HA PRO 51 4.780 9.591 8.062 368 1HB PRO 51 1HB PRO 51 5.124 12.218 6.936 369 2HB PRO 51 2HB PRO 51 6.099 11.428 8.179 370 1HG PRO 51 1HG PRO 51 6.838 11.975 5.470 371 2HG PRO 51 2HG PRO 51 7.788 11.138 6.701 372 1HD PRO 51 1HD PRO 51 6.488 10.006 4.374 373 2HD PRO 51 2HD PRO 51 7.489 9.173 5.590 374 H ASP 52 H ASP 52 2.987 11.288 8.479 375 HA ASP 52 HA ASP 52 0.563 10.667 7.296 376 1HB ASP 52 1HB ASP 52 1.634 12.554 9.091 377 2HB ASP 52 2HB ASP 52 0.739 13.502 7.904 378 H SER 53 H SER 53 3.003 12.918 6.082 379 HA SER 53 HA SER 53 1.500 14.341 4.159 380 1HB SER 53 1HB SER 53 4.363 13.388 4.316 381 2HB SER 53 2HB SER 53 3.802 14.452 3.028 382 HG SER 53 HG SER 53 4.542 15.733 4.683 383 H THR 54 H THR 54 2.528 10.996 4.111 384 HA THR 54 HA THR 54 2.195 10.754 1.191 385 HB THR 54 HB THR 54 2.432 8.460 3.116 386 HG1 THR 54 HG1 THR 54 4.147 9.326 3.917 387 1HG2 THR 54 1HG2 THR 54 3.117 9.109 0.299 388 2HG2 THR 54 2HG2 THR 54 4.249 8.067 1.161 389 3HG2 THR 54 3HG2 THR 54 2.558 7.591 1.003 390 H GLN 55 H GLN 55 0.514 9.559 0.193 391 HA GLN 55 HA GLN 55 -1.992 9.361 1.796 392 1HB GLN 55 1HB GLN 55 -1.837 10.710 -0.321 393 2HB GLN 55 2HB GLN 55 -1.496 9.218 -1.196 394 1HG GLN 55 1HG GLN 55 -3.868 9.681 -1.390 395 2HG GLN 55 2HG GLN 55 -3.662 8.287 -0.329 396 1HE2 GLN 55 2HE2 GLN 55 -3.158 11.750 0.491 397 2HE2 GLN 55 1HE2 GLN 55 -4.349 11.795 1.699 398 H THR 56 H THR 56 -2.362 7.330 2.613 399 HA THR 56 HA THR 56 -1.836 4.982 0.827 400 HB THR 56 HB THR 56 -1.375 4.156 3.471 401 HG1 THR 56 HG1 THR 56 -1.108 6.161 4.263 402 1HG2 THR 56 1HG2 THR 56 -0.167 3.852 1.093 403 2HG2 THR 56 2HG2 THR 56 0.937 5.026 1.808 404 3HG2 THR 56 3HG2 THR 56 0.649 3.485 2.614 405 H TRP 57 H TRP 57 -3.275 3.176 1.245 406 HA TRP 57 HA TRP 57 -5.967 3.752 1.833 407 1HB TRP 57 1HB TRP 57 -4.783 1.710 0.747 408 2HB TRP 57 2HB TRP 57 -4.621 1.104 2.392 409 HD1 TRP 57 HD1 TRP 57 -7.162 1.708 -0.343 410 HE1 TRP 57 HE1 TRP 57 -9.425 0.693 0.362 411 HE3 TRP 57 HE3 TRP 57 -6.124 0.544 4.512 412 HZ2 TRP 57 HZ2 TRP 57 -10.633 -0.465 2.686 413 HZ3 TRP 57 HZ3 TRP 57 -7.840 -0.512 5.950 414 HH2 TRP 57 HH2 TRP 57 -10.093 -1.019 5.044 415 HA PRO 58 HA PRO 58 -7.719 3.084 2.619 416 1HB PRO 58 1HB PRO 58 -9.414 4.436 4.432 417 2HB PRO 58 2HB PRO 58 -9.383 2.697 4.117 418 1HG PRO 58 1HG PRO 58 -8.533 4.102 6.497 419 2HG PRO 58 2HG PRO 58 -8.613 2.359 6.220 420 1HD PRO 58 1HD PRO 58 -6.260 4.056 6.310 421 2HD PRO 58 2HD PRO 58 -6.334 2.287 6.112 422 H LEU 59 H LEU 59 -9.196 5.068 1.953 423 HA LEU 59 HA LEU 59 -7.437 7.473 1.799 424 1HB LEU 59 1HB LEU 59 -9.305 6.039 0.104 425 2HB LEU 59 2HB LEU 59 -9.736 7.746 0.196 426 HG LEU 59 HG LEU 59 -7.568 8.428 -0.565 427 1HD1 LEU 59 1HD1 LEU 59 -6.812 5.833 0.498 428 2HD1 LEU 59 2HD1 LEU 59 -6.159 6.077 -1.122 429 3HD1 LEU 59 3HD1 LEU 59 -5.798 7.236 0.154 430 1HD2 LEU 59 1HD2 LEU 59 -9.214 7.357 -2.238 431 2HD2 LEU 59 2HD2 LEU 59 -7.537 7.516 -2.758 432 3HD2 LEU 59 3HD2 LEU 59 -8.145 5.955 -2.203 433 HA PRO 60 HA PRO 60 -10.005 10.101 4.230 434 1HB PRO 60 1HB PRO 60 -10.693 12.024 2.236 435 2HB PRO 60 2HB PRO 60 -9.372 12.114 3.403 436 1HG PRO 60 1HG PRO 60 -9.212 11.669 0.553 437 2HG PRO 60 2HG PRO 60 -7.891 11.862 1.710 438 1HD PRO 60 1HD PRO 60 -8.727 9.449 0.393 439 2HD PRO 60 2HD PRO 60 -7.439 9.627 1.608 440 H ASN 61 H ASN 61 -12.216 11.659 3.527 441 HA ASN 61 HA ASN 61 -14.406 9.902 3.622 442 1HB ASN 61 1HB ASN 61 -14.064 12.718 2.555 443 2HB ASN 61 2HB ASN 61 -15.646 11.964 2.758 444 1HD2 ASN 61 2HD2 ASN 61 -15.665 10.756 5.144 445 2HD2 ASN 61 1HD2 ASN 61 -15.210 11.794 6.408 446 H LYS 62 H LYS 62 -12.440 10.826 0.915 447 HA LYS 62 HA LYS 62 -14.416 9.912 -1.097 448 1HB LYS 62 1HB LYS 62 -11.678 11.176 -1.079 449 2HB LYS 62 2HB LYS 62 -12.343 10.507 -2.569 450 1HG LYS 62 1HG LYS 62 -13.423 12.466 -2.845 451 2HG LYS 62 2HG LYS 62 -14.442 11.998 -1.483 452 1HD LYS 62 1HD LYS 62 -13.560 14.130 -0.895 453 2HD LYS 62 2HD LYS 62 -12.607 12.965 0.025 454 1HE LYS 62 1HE LYS 62 -10.758 13.888 -0.909 455 2HE LYS 62 2HE LYS 62 -11.290 13.215 -2.463 456 1HZ LYS 62 1HZ LYS 62 -12.824 15.187 -2.597 457 2HZ LYS 62 2HZ LYS 62 -11.957 15.863 -1.306 458 3HZ LYS 62 3HZ LYS 62 -11.172 15.536 -2.776 459 H THR 63 H THR 63 -14.322 7.644 -0.056 460 HA THR 63 HA THR 63 -11.894 6.074 -0.296 461 HB THR 63 HB THR 63 -13.760 5.621 1.272 462 HG1 THR 63 HG1 THR 63 -13.934 3.360 0.727 463 1HG2 THR 63 1HG2 THR 63 -15.263 4.972 -1.275 464 2HG2 THR 63 2HG2 THR 63 -15.840 4.605 0.350 465 3HG2 THR 63 3HG2 THR 63 -15.626 6.282 -0.151 466 H CYS 64 H CYS 64 -12.683 3.768 -1.564 467 HA CYS 64 HA CYS 64 -12.333 4.460 -4.367 468 1HB CYS 64 1HB CYS 64 -11.355 2.477 -3.232 469 2HB CYS 64 2HB CYS 64 -12.978 1.831 -2.988 Start of MODEL 19 1 1H LYS 1 1H LYS 1 3.950 8.006 5.897 2 2H LYS 1 2H LYS 1 2.281 8.214 5.666 3 3H LYS 1 3H LYS 1 3.161 9.357 6.557 4 HA LYS 1 HA LYS 1 3.564 7.775 8.314 5 1HB LYS 1 1HB LYS 1 0.712 7.974 7.293 6 2HB LYS 1 2HB LYS 1 1.147 7.516 8.940 7 1HG LYS 1 1HG LYS 1 1.819 10.146 7.585 8 2HG LYS 1 2HG LYS 1 0.619 9.906 8.856 9 1HD LYS 1 1HD LYS 1 2.301 10.410 10.288 10 2HD LYS 1 2HD LYS 1 2.875 8.775 9.964 11 1HE LYS 1 1HE LYS 1 4.701 9.556 8.869 12 2HE LYS 1 2HE LYS 1 3.707 10.637 7.871 13 1HZ LYS 1 1HZ LYS 1 3.845 11.376 10.662 14 2HZ LYS 1 2HZ LYS 1 5.336 11.470 9.855 15 3HZ LYS 1 3HZ LYS 1 3.999 12.345 9.278 16 H ASP 2 H ASP 2 3.109 5.600 9.150 17 HA ASP 2 HA ASP 2 3.509 3.509 7.198 18 1HB ASP 2 1HB ASP 2 2.579 3.258 10.073 19 2HB ASP 2 2HB ASP 2 3.559 2.113 9.157 20 H GLY 3 H GLY 3 1.807 3.017 5.805 21 1HA GLY 3 1HA GLY 3 -0.749 2.189 7.043 22 2HA GLY 3 2HA GLY 3 -0.834 3.486 5.853 23 H TYR 4 H TYR 4 -2.207 1.869 4.726 24 HA TYR 4 HA TYR 4 -0.669 -0.280 3.333 25 1HB TYR 4 1HB TYR 4 -3.498 0.238 4.141 26 2HB TYR 4 2HB TYR 4 -3.232 -0.742 2.700 27 HD1 TYR 4 HD1 TYR 4 -1.700 -2.773 2.870 28 HD2 TYR 4 HD2 TYR 4 -3.181 -0.662 6.304 29 HE1 TYR 4 HE1 TYR 4 -1.175 -4.729 4.300 30 HE2 TYR 4 HE2 TYR 4 -2.655 -2.618 7.734 31 HH TYR 4 HH TYR 4 -2.278 -5.542 6.776 32 H LEU 5 H LEU 5 -1.007 -0.502 0.996 33 HA LEU 5 HA LEU 5 -1.244 2.118 -0.365 34 1HB LEU 5 1HB LEU 5 0.020 -0.489 -0.761 35 2HB LEU 5 2HB LEU 5 -0.787 0.077 -2.224 36 HG LEU 5 HG LEU 5 1.124 1.772 -0.595 37 1HD1 LEU 5 1HD1 LEU 5 1.585 0.131 -3.105 38 2HD1 LEU 5 2HD1 LEU 5 2.713 1.338 -2.486 39 3HD1 LEU 5 3HD1 LEU 5 2.356 -0.105 -1.537 40 1HD2 LEU 5 1HD2 LEU 5 -0.420 2.096 -3.152 41 2HD2 LEU 5 2HD2 LEU 5 -0.177 3.254 -1.843 42 3HD2 LEU 5 3HD2 LEU 5 1.132 2.915 -2.976 43 H VAL 6 H VAL 6 -2.795 2.437 -2.097 44 HA VAL 6 HA VAL 6 -5.196 0.666 -1.857 45 HB VAL 6 HB VAL 6 -6.421 2.642 -2.585 46 1HG1 VAL 6 1HG1 VAL 6 -4.702 2.572 -0.269 47 2HG1 VAL 6 2HG1 VAL 6 -4.932 4.236 -0.806 48 3HG1 VAL 6 3HG1 VAL 6 -6.330 3.232 -0.422 49 1HG2 VAL 6 1HG2 VAL 6 -3.731 3.436 -3.470 50 2HG2 VAL 6 2HG2 VAL 6 -5.307 3.941 -4.079 51 3HG2 VAL 6 3HG2 VAL 6 -4.618 4.727 -2.660 52 H GLU 7 H GLU 7 -6.536 1.020 -4.090 53 HA GLU 7 HA GLU 7 -4.645 0.343 -6.324 54 1HB GLU 7 1HB GLU 7 -5.979 -1.550 -5.434 55 2HB GLU 7 2HB GLU 7 -7.459 -0.644 -5.746 56 1HG GLU 7 1HG GLU 7 -7.035 -2.229 -7.573 57 2HG GLU 7 2HG GLU 7 -6.894 -0.571 -8.157 58 H LYS 8 H LYS 8 -5.694 0.817 -8.530 59 HA LYS 8 HA LYS 8 -6.272 3.492 -8.940 60 1HB LYS 8 1HB LYS 8 -6.096 1.245 -10.459 61 2HB LYS 8 2HB LYS 8 -7.827 1.565 -10.580 62 1HG LYS 8 1HG LYS 8 -6.869 2.789 -12.374 63 2HG LYS 8 2HG LYS 8 -7.161 3.994 -11.119 64 1HD LYS 8 1HD LYS 8 -4.527 2.607 -11.050 65 2HD LYS 8 2HD LYS 8 -4.784 3.763 -12.359 66 1HE LYS 8 1HE LYS 8 -4.317 5.426 -10.890 67 2HE LYS 8 2HE LYS 8 -5.790 4.990 -10.001 68 1HZ LYS 8 1HZ LYS 8 -4.184 3.017 -9.257 69 2HZ LYS 8 2HZ LYS 8 -3.024 4.234 -9.484 70 3HZ LYS 8 3HZ LYS 8 -4.305 4.475 -8.394 71 H THR 9 H THR 9 -8.821 0.970 -8.803 72 HA THR 9 HA THR 9 -10.993 2.826 -8.592 73 HB THR 9 HB THR 9 -12.245 0.787 -8.002 74 HG1 THR 9 HG1 THR 9 -11.248 -0.644 -6.870 75 1HG2 THR 9 1HG2 THR 9 -10.915 1.227 -10.330 76 2HG2 THR 9 2HG2 THR 9 -10.266 -0.350 -9.883 77 3HG2 THR 9 3HG2 THR 9 -12.006 -0.134 -10.072 78 H GLY 10 H GLY 10 -8.667 1.703 -6.293 79 1HA GLY 10 1HA GLY 10 -8.506 3.077 -4.211 80 2HA GLY 10 2HA GLY 10 -10.261 2.960 -4.094 81 H CYS 11 H CYS 11 -10.252 0.105 -4.919 82 HA CYS 11 HA CYS 11 -10.298 -1.196 -2.441 83 1HB CYS 11 1HB CYS 11 -9.939 -1.979 -5.303 84 2HB CYS 11 2HB CYS 11 -9.654 -3.219 -4.083 85 H LYS 12 H LYS 12 -8.700 -1.833 -1.030 86 HA LYS 12 HA LYS 12 -5.994 -1.133 -1.231 87 1HB LYS 12 1HB LYS 12 -5.738 -2.997 0.492 88 2HB LYS 12 2HB LYS 12 -6.984 -1.807 0.848 89 1HG LYS 12 1HG LYS 12 -8.470 -3.496 0.980 90 2HG LYS 12 2HG LYS 12 -8.240 -3.760 -0.749 91 1HD LYS 12 1HD LYS 12 -6.006 -4.887 0.656 92 2HD LYS 12 2HD LYS 12 -7.497 -5.487 1.385 93 1HE LYS 12 1HE LYS 12 -7.805 -5.490 -1.479 94 2HE LYS 12 2HE LYS 12 -6.314 -6.352 -1.047 95 1HZ LYS 12 1HZ LYS 12 -8.723 -6.770 0.580 96 2HZ LYS 12 2HZ LYS 12 -8.611 -7.562 -0.915 97 3HZ LYS 12 3HZ LYS 12 -7.429 -7.829 0.275 98 H LYS 13 H LYS 13 -4.245 -3.047 -1.083 99 HA LYS 13 HA LYS 13 -4.539 -4.640 -3.607 100 1HB LYS 13 1HB LYS 13 -2.175 -3.459 -2.117 101 2HB LYS 13 2HB LYS 13 -1.998 -4.544 -3.498 102 1HG LYS 13 1HG LYS 13 -3.852 -2.691 -4.396 103 2HG LYS 13 2HG LYS 13 -2.738 -1.709 -3.444 104 1HD LYS 13 1HD LYS 13 -1.048 -3.399 -4.855 105 2HD LYS 13 2HD LYS 13 -2.315 -3.023 -6.024 106 1HE LYS 13 1HE LYS 13 -1.828 -0.558 -4.851 107 2HE LYS 13 2HE LYS 13 -0.211 -1.282 -4.956 108 1HZ LYS 13 1HZ LYS 13 -1.216 -2.044 -7.282 109 2HZ LYS 13 2HZ LYS 13 -2.074 -0.593 -7.091 110 3HZ LYS 13 3HZ LYS 13 -0.375 -0.581 -7.089 111 H THR 14 H THR 14 -4.188 -6.877 -3.487 112 HA THR 14 HA THR 14 -3.769 -7.979 -0.735 113 HB THR 14 HB THR 14 -5.293 -8.838 -3.191 114 HG1 THR 14 HG1 THR 14 -6.307 -9.092 -0.646 115 1HG2 THR 14 1HG2 THR 14 -4.065 -10.546 -1.099 116 2HG2 THR 14 2HG2 THR 14 -5.756 -10.881 -1.471 117 3HG2 THR 14 3HG2 THR 14 -4.542 -10.952 -2.748 118 H CYS 15 H CYS 15 -2.260 -9.672 -0.438 119 HA CYS 15 HA CYS 15 -0.683 -10.539 -2.817 120 1HB CYS 15 1HB CYS 15 1.391 -9.936 -1.753 121 2HB CYS 15 2HB CYS 15 0.343 -8.523 -1.670 122 H TYR 16 H TYR 16 -0.513 -12.731 -2.754 123 HA TYR 16 HA TYR 16 -1.425 -14.302 -0.507 124 1HB TYR 16 1HB TYR 16 -0.098 -14.756 -3.164 125 2HB TYR 16 2HB TYR 16 -0.212 -16.100 -2.030 126 HD1 TYR 16 HD1 TYR 16 -2.648 -16.271 -0.850 127 HD2 TYR 16 HD2 TYR 16 -1.830 -14.521 -4.687 128 HE1 TYR 16 HE1 TYR 16 -5.010 -16.632 -1.520 129 HE2 TYR 16 HE2 TYR 16 -4.189 -14.881 -5.355 130 HH TYR 16 HH TYR 16 -6.077 -16.182 -4.792 131 H LYS 17 H LYS 17 1.758 -13.258 -1.636 132 HA LYS 17 HA LYS 17 3.157 -14.981 0.314 133 1HB LYS 17 1HB LYS 17 4.375 -12.801 -1.379 134 2HB LYS 17 2HB LYS 17 5.087 -14.334 -0.880 135 1HG LYS 17 1HG LYS 17 3.258 -15.460 -2.290 136 2HG LYS 17 2HG LYS 17 2.964 -13.863 -2.979 137 1HD LYS 17 1HD LYS 17 4.528 -15.026 -4.418 138 2HD LYS 17 2HD LYS 17 5.404 -13.746 -3.576 139 1HE LYS 17 1HE LYS 17 6.608 -15.240 -2.279 140 2HE LYS 17 2HE LYS 17 5.306 -16.448 -2.281 141 1HZ LYS 17 1HZ LYS 17 6.573 -15.696 -4.823 142 2HZ LYS 17 2HZ LYS 17 7.381 -16.785 -3.798 143 3HZ LYS 17 3HZ LYS 17 5.830 -17.155 -4.384 144 H LEU 18 H LEU 18 2.102 -13.896 2.223 145 HA LEU 18 HA LEU 18 2.364 -11.150 2.871 146 1HB LEU 18 1HB LEU 18 2.319 -13.688 4.529 147 2HB LEU 18 2HB LEU 18 2.174 -12.075 5.232 148 HG LEU 18 HG LEU 18 0.313 -13.364 3.218 149 1HD1 LEU 18 1HD1 LEU 18 -0.021 -12.388 6.069 150 2HD1 LEU 18 2HD1 LEU 18 -1.360 -12.880 5.033 151 3HD1 LEU 18 3HD1 LEU 18 -0.129 -14.054 5.500 152 1HD2 LEU 18 1HD2 LEU 18 0.880 -10.543 3.840 153 2HD2 LEU 18 2HD2 LEU 18 0.033 -11.240 2.460 154 3HD2 LEU 18 3HD2 LEU 18 -0.825 -10.970 3.976 155 H GLY 19 H GLY 19 3.898 -10.275 4.609 156 1HA GLY 19 1HA GLY 19 6.076 -10.088 5.567 157 2HA GLY 19 2HA GLY 19 6.494 -11.631 4.827 158 H GLU 20 H GLU 20 8.501 -10.455 4.240 159 HA GLU 20 HA GLU 20 8.740 -8.216 2.574 160 1HB GLU 20 1HB GLU 20 10.314 -10.342 3.536 161 2HB GLU 20 2HB GLU 20 10.519 -10.374 1.784 162 1HG GLU 20 1HG GLU 20 12.118 -8.801 2.255 163 2HG GLU 20 2HG GLU 20 10.726 -7.718 2.193 164 H ASN 21 H ASN 21 6.882 -8.263 1.098 165 HA ASN 21 HA ASN 21 6.977 -10.363 -1.015 166 1HB ASN 21 1HB ASN 21 4.884 -9.709 0.325 167 2HB ASN 21 2HB ASN 21 4.904 -8.204 -0.598 168 1HD2 ASN 21 2HD2 ASN 21 3.144 -10.834 -0.648 169 2HD2 ASN 21 1HD2 ASN 21 3.044 -11.176 -2.307 170 H ASP 22 H ASP 22 8.729 -9.561 -2.283 171 HA ASP 22 HA ASP 22 9.482 -7.061 -3.080 172 1HB ASP 22 1HB ASP 22 9.015 -9.436 -4.912 173 2HB ASP 22 2HB ASP 22 10.176 -8.136 -5.174 174 H PHE 23 H PHE 23 6.760 -8.867 -4.576 175 HA PHE 23 HA PHE 23 5.935 -7.143 -6.573 176 1HB PHE 23 1HB PHE 23 4.887 -9.262 -5.059 177 2HB PHE 23 2HB PHE 23 3.693 -7.974 -4.905 178 HD1 PHE 23 HD1 PHE 23 3.859 -6.560 -7.446 179 HD2 PHE 23 HD2 PHE 23 4.073 -10.778 -6.657 180 HE1 PHE 23 HE1 PHE 23 3.050 -7.032 -9.743 181 HE2 PHE 23 HE2 PHE 23 3.264 -11.249 -8.955 182 HZ PHE 23 HZ PHE 23 2.754 -9.375 -10.498 183 H CYS 24 H CYS 24 4.824 -6.861 -3.158 184 HA CYS 24 HA CYS 24 3.555 -4.304 -3.556 185 1HB CYS 24 1HB CYS 24 4.565 -5.879 -1.177 186 2HB CYS 24 2HB CYS 24 3.763 -4.321 -0.983 187 H ASN 25 H ASN 25 6.801 -5.284 -2.485 188 HA ASN 25 HA ASN 25 7.760 -2.727 -1.664 189 1HB ASN 25 1HB ASN 25 8.790 -5.016 -1.335 190 2HB ASN 25 2HB ASN 25 9.283 -4.968 -3.028 191 1HD2 ASN 25 2HD2 ASN 25 11.036 -4.949 -0.582 192 2HD2 ASN 25 1HD2 ASN 25 11.968 -3.535 -0.708 193 H ARG 26 H ARG 26 8.380 -4.399 -4.784 194 HA ARG 26 HA ARG 26 9.541 -2.206 -6.128 195 1HB ARG 26 1HB ARG 26 9.100 -3.523 -8.111 196 2HB ARG 26 2HB ARG 26 9.443 -4.641 -6.797 197 1HG ARG 26 1HG ARG 26 7.465 -5.634 -7.168 198 2HG ARG 26 2HG ARG 26 6.654 -4.133 -6.737 199 1HD ARG 26 1HD ARG 26 5.905 -4.123 -8.890 200 2HD ARG 26 2HD ARG 26 7.556 -3.640 -9.322 201 HE ARG 26 HE ARG 26 7.689 -6.409 -9.012 202 1HH1 ARG 26 1HH1 ARG 26 5.839 -4.159 -10.873 203 2HH1 ARG 26 2HH1 ARG 26 5.619 -5.244 -12.204 204 1HH2 ARG 26 1HH2 ARG 26 7.408 -7.832 -10.743 205 2HH2 ARG 26 2HH2 ARG 26 6.506 -7.321 -12.131 206 H GLU 27 H GLU 27 6.153 -2.907 -5.461 207 HA GLU 27 HA GLU 27 5.134 -0.917 -7.364 208 1HB GLU 27 1HB GLU 27 4.178 -3.095 -5.789 209 2HB GLU 27 2HB GLU 27 3.265 -1.663 -5.313 210 1HG GLU 27 1HG GLU 27 2.395 -1.339 -7.453 211 2HG GLU 27 2HG GLU 27 3.714 -2.214 -8.230 212 H CYS 28 H CYS 28 6.200 -0.965 -4.039 213 HA CYS 28 HA CYS 28 4.795 1.476 -3.241 214 1HB CYS 28 1HB CYS 28 6.274 -0.662 -2.074 215 2HB CYS 28 2HB CYS 28 7.082 0.839 -1.620 216 H LYS 29 H LYS 29 7.929 0.669 -4.631 217 HA LYS 29 HA LYS 29 8.967 3.406 -4.158 218 1HB LYS 29 1HB LYS 29 9.981 0.724 -4.919 219 2HB LYS 29 2HB LYS 29 10.851 2.093 -5.612 220 1HG LYS 29 1HG LYS 29 10.729 3.021 -3.138 221 2HG LYS 29 2HG LYS 29 10.530 1.314 -2.736 222 1HD LYS 29 1HD LYS 29 12.764 2.363 -4.490 223 2HD LYS 29 2HD LYS 29 12.931 2.109 -2.752 224 1HE LYS 29 1HE LYS 29 11.815 -0.284 -3.625 225 2HE LYS 29 2HE LYS 29 12.962 0.134 -4.915 226 1HZ LYS 29 1HZ LYS 29 14.579 0.676 -3.106 227 2HZ LYS 29 2HZ LYS 29 13.501 -0.033 -2.001 228 3HZ LYS 29 3HZ LYS 29 14.196 -0.971 -3.235 229 H TRP 30 H TRP 30 6.906 2.123 -6.395 230 HA TRP 30 HA TRP 30 8.124 3.123 -8.842 231 1HB TRP 30 1HB TRP 30 6.171 2.285 -9.856 232 2HB TRP 30 2HB TRP 30 6.427 1.229 -8.475 233 HD1 TRP 30 HD1 TRP 30 3.602 1.600 -9.799 234 HE1 TRP 30 HE1 TRP 30 1.633 2.485 -8.400 235 HE3 TRP 30 HE3 TRP 30 6.146 3.989 -6.041 236 HZ2 TRP 30 HZ2 TRP 30 1.183 3.987 -6.022 237 HZ3 TRP 30 HZ3 TRP 30 4.913 5.123 -4.231 238 HH2 TRP 30 HH2 TRP 30 2.435 5.131 -4.214 239 H LYS 31 H LYS 31 8.417 5.267 -7.356 240 HA LYS 31 HA LYS 31 7.272 7.428 -8.659 241 1HB LYS 31 1HB LYS 31 5.388 6.068 -6.945 242 2HB LYS 31 2HB LYS 31 5.631 7.715 -6.370 243 1HG LYS 31 1HG LYS 31 4.778 8.659 -8.280 244 2HG LYS 31 2HG LYS 31 5.337 7.339 -9.306 245 1HD LYS 31 1HD LYS 31 3.349 6.296 -9.163 246 2HD LYS 31 2HD LYS 31 3.374 6.384 -7.402 247 1HE LYS 31 1HE LYS 31 1.727 7.935 -7.521 248 2HE LYS 31 2HE LYS 31 2.876 9.025 -8.322 249 1HZ LYS 31 1HZ LYS 31 1.777 6.873 -9.948 250 2HZ LYS 31 2HZ LYS 31 0.693 8.110 -9.526 251 3HZ LYS 31 3HZ LYS 31 2.122 8.479 -10.368 252 H HIS 32 H HIS 32 7.225 9.490 -7.093 253 HA HIS 32 HA HIS 32 9.597 9.209 -5.282 254 1HB HIS 32 1HB HIS 32 8.858 10.963 -7.436 255 2HB HIS 32 2HB HIS 32 9.043 11.916 -5.963 256 HD1 HIS 32 HD1 HIS 32 10.958 9.783 -8.374 257 HD2 HIS 32 HD2 HIS 32 11.687 11.900 -4.857 258 HE1 HIS 32 HE1 HIS 32 13.475 9.902 -8.118 259 H ILE 33 H ILE 33 8.260 8.641 -3.420 260 HA ILE 33 HA ILE 33 6.519 10.866 -2.413 261 HB ILE 33 HB ILE 33 6.549 7.865 -2.137 262 1HG1 ILE 33 1HG1 ILE 33 3.967 8.616 -2.368 263 2HG1 ILE 33 2HG1 ILE 33 4.737 9.997 -3.150 264 1HG2 ILE 33 1HG2 ILE 33 5.459 9.885 -0.190 265 2HG2 ILE 33 2HG2 ILE 33 4.649 8.333 -0.404 266 3HG2 ILE 33 3HG2 ILE 33 6.326 8.385 0.140 267 1HD1 ILE 33 1HD1 ILE 33 6.133 7.922 -4.255 268 2HD1 ILE 33 2HD1 ILE 33 4.541 7.192 -4.051 269 3HD1 ILE 33 3HD1 ILE 33 4.719 8.668 -4.999 270 H GLY 34 H GLY 34 9.207 8.696 -1.669 271 1HA GLY 34 1HA GLY 34 11.023 9.374 -0.209 272 2HA GLY 34 2HA GLY 34 9.909 10.458 0.618 273 H GLY 35 H GLY 35 9.944 6.962 -0.122 274 1HA GLY 35 1HA GLY 35 9.083 6.479 2.699 275 2HA GLY 35 2HA GLY 35 8.788 5.369 1.360 276 H SER 36 H SER 36 10.079 4.565 3.785 277 HA SER 36 HA SER 36 12.928 4.236 2.945 278 1HB SER 36 1HB SER 36 13.350 4.024 5.283 279 2HB SER 36 2HB SER 36 12.198 5.340 5.133 280 HG SER 36 HG SER 36 10.729 4.155 6.080 281 H TYR 37 H TYR 37 10.021 2.458 3.995 282 HA TYR 37 HA TYR 37 11.259 -0.035 2.923 283 1HB TYR 37 1HB TYR 37 11.361 0.570 5.577 284 2HB TYR 37 2HB TYR 37 9.820 -0.286 5.504 285 HD1 TYR 37 HD1 TYR 37 12.995 -0.723 3.563 286 HD2 TYR 37 HD2 TYR 37 10.168 -2.470 6.286 287 HE1 TYR 37 HE1 TYR 37 14.196 -2.887 3.422 288 HE2 TYR 37 HE2 TYR 37 11.372 -4.634 6.144 289 HH TYR 37 HH TYR 37 13.172 -5.688 5.365 290 H GLY 38 H GLY 38 9.579 -1.816 2.787 291 1HA GLY 38 1HA GLY 38 6.764 -1.106 2.968 292 2HA GLY 38 2HA GLY 38 7.341 -1.157 1.302 293 H TYR 39 H TYR 39 6.047 -3.031 3.776 294 HA TYR 39 HA TYR 39 6.819 -5.538 2.328 295 1HB TYR 39 1HB TYR 39 7.097 -6.605 4.544 296 2HB TYR 39 2HB TYR 39 8.186 -5.229 4.370 297 HD1 TYR 39 HD1 TYR 39 7.753 -3.113 5.548 298 HD2 TYR 39 HD2 TYR 39 5.200 -6.529 6.062 299 HE1 TYR 39 HE1 TYR 39 6.748 -2.060 7.556 300 HE2 TYR 39 HE2 TYR 39 4.195 -5.477 8.071 301 HH TYR 39 HH TYR 39 3.914 -3.335 9.076 302 H CYS 40 H CYS 40 5.185 -7.247 2.526 303 HA CYS 40 HA CYS 40 2.458 -6.177 2.733 304 1HB CYS 40 1HB CYS 40 3.805 -8.198 1.346 305 2HB CYS 40 2HB CYS 40 2.740 -9.065 2.454 306 H TYR 41 H TYR 41 1.072 -6.456 4.433 307 HA TYR 41 HA TYR 41 1.803 -8.411 6.583 308 1HB TYR 41 1HB TYR 41 2.477 -6.052 7.121 309 2HB TYR 41 2HB TYR 41 0.788 -5.572 6.954 310 HD1 TYR 41 HD1 TYR 41 3.164 -7.616 8.936 311 HD2 TYR 41 HD2 TYR 41 -0.843 -6.093 8.652 312 HE1 TYR 41 HE1 TYR 41 2.733 -8.313 11.278 313 HE2 TYR 41 HE2 TYR 41 -1.272 -6.791 10.994 314 HH TYR 41 HH TYR 41 1.008 -7.441 13.165 315 H GLY 42 H GLY 42 0.016 -9.587 7.294 316 1HA GLY 42 1HA GLY 42 -2.249 -10.208 7.542 317 2HA GLY 42 2HA GLY 42 -2.702 -8.577 7.033 318 H PHE 43 H PHE 43 -2.439 -8.112 4.662 319 HA PHE 43 HA PHE 43 -2.133 -10.231 2.731 320 1HB PHE 43 1HB PHE 43 -4.794 -9.693 3.942 321 2HB PHE 43 2HB PHE 43 -4.767 -9.902 2.194 322 HD1 PHE 43 HD1 PHE 43 -2.534 -11.837 1.875 323 HD2 PHE 43 HD2 PHE 43 -5.724 -11.708 4.749 324 HE1 PHE 43 HE1 PHE 43 -2.369 -14.294 2.172 325 HE2 PHE 43 HE2 PHE 43 -5.558 -14.163 5.046 326 HZ PHE 43 HZ PHE 43 -3.881 -15.457 3.755 327 H GLY 44 H GLY 44 -1.131 -7.614 2.858 328 1HA GLY 44 1HA GLY 44 -1.940 -6.575 0.300 329 2HA GLY 44 2HA GLY 44 -2.603 -5.579 1.596 330 H CYS 45 H CYS 45 -0.745 -4.506 -0.192 331 HA CYS 45 HA CYS 45 1.973 -4.669 0.798 332 1HB CYS 45 1HB CYS 45 0.679 -2.450 -0.804 333 2HB CYS 45 2HB CYS 45 2.363 -2.968 -0.845 334 H TYR 46 H TYR 46 3.012 -3.335 2.257 335 HA TYR 46 HA TYR 46 1.426 -1.133 3.532 336 1HB TYR 46 1HB TYR 46 1.602 -3.412 4.739 337 2HB TYR 46 2HB TYR 46 3.304 -3.016 4.969 338 HD1 TYR 46 HD1 TYR 46 -0.165 -2.078 5.807 339 HD2 TYR 46 HD2 TYR 46 3.993 -1.220 6.456 340 HE1 TYR 46 HE1 TYR 46 -0.763 -0.655 7.748 341 HE2 TYR 46 HE2 TYR 46 3.396 0.202 8.399 342 HH TYR 46 HH TYR 46 0.974 0.109 10.068 343 H CYS 47 H CYS 47 2.596 0.782 3.496 344 HA CYS 47 HA CYS 47 5.578 0.554 3.179 345 1HB CYS 47 1HB CYS 47 3.546 1.749 1.568 346 2HB CYS 47 2HB CYS 47 4.544 3.047 2.222 347 H GLU 48 H GLU 48 6.843 1.858 4.511 348 HA GLU 48 HA GLU 48 5.388 3.596 6.485 349 1HB GLU 48 1HB GLU 48 7.780 1.753 6.753 350 2HB GLU 48 2HB GLU 48 7.274 2.872 8.018 351 1HG GLU 48 1HG GLU 48 5.117 1.783 8.201 352 2HG GLU 48 2HG GLU 48 5.473 0.755 6.813 353 H GLY 49 H GLY 49 6.319 5.618 6.903 354 1HA GLY 49 1HA GLY 49 8.145 7.213 6.898 355 2HA GLY 49 2HA GLY 49 8.955 6.234 5.675 356 H LEU 50 H LEU 50 5.562 7.167 5.528 357 HA LEU 50 HA LEU 50 6.167 8.606 2.985 358 1HB LEU 50 1HB LEU 50 3.346 8.285 3.651 359 2HB LEU 50 2HB LEU 50 4.223 7.707 2.241 360 HG LEU 50 HG LEU 50 4.095 6.325 4.942 361 1HD1 LEU 50 1HD1 LEU 50 2.652 6.036 2.346 362 2HD1 LEU 50 2HD1 LEU 50 3.043 4.571 3.246 363 3HD1 LEU 50 3HD1 LEU 50 2.055 5.826 3.992 364 1HD2 LEU 50 1HD2 LEU 50 6.182 6.194 3.202 365 2HD2 LEU 50 2HD2 LEU 50 5.663 4.828 4.190 366 3HD2 LEU 50 3HD2 LEU 50 5.128 4.959 2.516 367 HA PRO 51 HA PRO 51 5.358 12.476 4.950 368 1HB PRO 51 1HB PRO 51 4.478 13.745 2.573 369 2HB PRO 51 2HB PRO 51 6.129 13.700 3.201 370 1HG PRO 51 1HG PRO 51 5.051 12.343 0.881 371 2HG PRO 51 2HG PRO 51 6.727 12.419 1.433 372 1HD PRO 51 1HD PRO 51 4.912 10.177 1.590 373 2HD PRO 51 2HD PRO 51 6.602 10.256 2.146 374 H ASP 52 H ASP 52 3.511 13.824 5.547 375 HA ASP 52 HA ASP 52 1.017 12.514 5.814 376 1HB ASP 52 1HB ASP 52 1.857 14.429 7.151 377 2HB ASP 52 2HB ASP 52 1.653 15.482 5.751 378 H SER 53 H SER 53 2.120 14.811 3.319 379 HA SER 53 HA SER 53 -0.310 15.314 1.988 380 1HB SER 53 1HB SER 53 2.170 16.116 1.649 381 2HB SER 53 2HB SER 53 2.258 14.770 0.515 382 HG SER 53 HG SER 53 0.555 15.670 -0.628 383 H THR 54 H THR 54 1.880 12.520 1.684 384 HA THR 54 HA THR 54 0.584 11.251 -0.523 385 HB THR 54 HB THR 54 2.059 10.048 1.845 386 HG1 THR 54 HG1 THR 54 3.335 11.598 0.939 387 1HG2 THR 54 1HG2 THR 54 0.883 8.426 0.360 388 2HG2 THR 54 2HG2 THR 54 1.773 9.080 -1.013 389 3HG2 THR 54 3HG2 THR 54 2.637 8.262 0.289 390 H GLN 55 H GLN 55 -1.252 9.970 -0.611 391 HA GLN 55 HA GLN 55 -2.951 9.831 1.810 392 1HB GLN 55 1HB GLN 55 -4.675 9.276 0.209 393 2HB GLN 55 2HB GLN 55 -3.699 10.562 -0.502 394 1HG GLN 55 1HG GLN 55 -3.460 9.200 -2.290 395 2HG GLN 55 2HG GLN 55 -2.373 8.248 -1.277 396 1HE2 GLN 55 2HE2 GLN 55 -5.964 8.636 -1.354 397 2HE2 GLN 55 1HE2 GLN 55 -6.287 6.970 -1.412 398 H THR 56 H THR 56 -4.142 7.667 2.136 399 HA THR 56 HA THR 56 -2.709 5.248 1.286 400 HB THR 56 HB THR 56 -2.721 5.064 4.088 401 HG1 THR 56 HG1 THR 56 -1.728 6.927 4.749 402 1HG2 THR 56 1HG2 THR 56 -0.864 5.052 1.870 403 2HG2 THR 56 2HG2 THR 56 -0.137 5.797 3.294 404 3HG2 THR 56 3HG2 THR 56 -0.790 4.161 3.390 405 H TRP 57 H TRP 57 -3.830 3.292 2.034 406 HA TRP 57 HA TRP 57 -6.703 3.480 2.052 407 1HB TRP 57 1HB TRP 57 -4.940 1.601 1.429 408 2HB TRP 57 2HB TRP 57 -5.115 1.154 3.121 409 HD1 TRP 57 HD1 TRP 57 -7.252 1.636 -0.045 410 HE1 TRP 57 HE1 TRP 57 -9.337 0.132 0.154 411 HE3 TRP 57 HE3 TRP 57 -6.587 -0.170 4.685 412 HZ2 TRP 57 HZ2 TRP 57 -10.560 -1.609 2.069 413 HZ3 TRP 57 HZ3 TRP 57 -8.224 -1.747 5.671 414 HH2 TRP 57 HH2 TRP 57 -10.208 -2.468 4.371 415 HA PRO 58 HA PRO 58 -8.429 2.349 2.862 416 1HB PRO 58 1HB PRO 58 -10.495 3.705 4.261 417 2HB PRO 58 2HB PRO 58 -10.177 1.968 4.249 418 1HG PRO 58 1HG PRO 58 -9.795 3.833 6.414 419 2HG PRO 58 2HG PRO 58 -9.540 2.086 6.417 420 1HD PRO 58 1HD PRO 58 -7.542 4.181 6.407 421 2HD PRO 58 2HD PRO 58 -7.287 2.419 6.466 422 H LEU 59 H LEU 59 -10.217 3.787 1.749 423 HA LEU 59 HA LEU 59 -8.949 6.356 0.980 424 1HB LEU 59 1HB LEU 59 -10.751 4.321 -0.137 425 2HB LEU 59 2HB LEU 59 -11.262 5.967 -0.508 426 HG LEU 59 HG LEU 59 -8.834 6.401 -1.206 427 1HD1 LEU 59 1HD1 LEU 59 -8.524 3.822 -0.145 428 2HD1 LEU 59 2HD1 LEU 59 -8.404 3.609 -1.891 429 3HD1 LEU 59 3HD1 LEU 59 -7.324 4.730 -1.064 430 1HD2 LEU 59 1HD2 LEU 59 -10.884 4.749 -2.601 431 2HD2 LEU 59 2HD2 LEU 59 -10.178 6.295 -3.071 432 3HD2 LEU 59 3HD2 LEU 59 -9.281 4.800 -3.335 433 HA PRO 60 HA PRO 60 -11.782 9.130 2.897 434 1HB PRO 60 1HB PRO 60 -13.050 10.127 0.504 435 2HB PRO 60 2HB PRO 60 -11.793 10.897 1.477 436 1HG PRO 60 1HG PRO 60 -11.519 9.715 -1.123 437 2HG PRO 60 2HG PRO 60 -10.264 10.468 -0.136 438 1HD PRO 60 1HD PRO 60 -10.586 7.672 -0.733 439 2HD PRO 60 2HD PRO 60 -9.349 8.426 0.301 440 H ASN 61 H ASN 61 -14.351 9.921 2.355 441 HA ASN 61 HA ASN 61 -16.000 7.785 3.151 442 1HB ASN 61 1HB ASN 61 -17.804 9.302 2.597 443 2HB ASN 61 2HB ASN 61 -16.446 10.286 3.144 444 1HD2 ASN 61 2HD2 ASN 61 -18.761 10.244 0.792 445 2HD2 ASN 61 1HD2 ASN 61 -17.928 11.035 -0.457 446 H LYS 62 H LYS 62 -14.956 8.759 -0.064 447 HA LYS 62 HA LYS 62 -16.829 6.960 -1.449 448 1HB LYS 62 1HB LYS 62 -16.031 9.157 -2.336 449 2HB LYS 62 2HB LYS 62 -14.395 8.503 -2.413 450 1HG LYS 62 1HG LYS 62 -15.451 6.610 -3.844 451 2HG LYS 62 2HG LYS 62 -16.811 7.717 -4.034 452 1HD LYS 62 1HD LYS 62 -15.546 9.288 -5.210 453 2HD LYS 62 2HD LYS 62 -14.021 8.710 -4.537 454 1HE LYS 62 1HE LYS 62 -14.318 8.061 -6.944 455 2HE LYS 62 2HE LYS 62 -14.193 6.646 -5.879 456 1HZ LYS 62 1HZ LYS 62 -16.758 7.921 -6.665 457 2HZ LYS 62 2HZ LYS 62 -16.117 6.543 -7.417 458 3HZ LYS 62 3HZ LYS 62 -16.563 6.484 -5.779 459 H THR 63 H THR 63 -15.527 5.360 0.312 460 HA THR 63 HA THR 63 -13.011 4.271 -0.453 461 HB THR 63 HB THR 63 -14.021 3.818 1.693 462 HG1 THR 63 HG1 THR 63 -13.308 1.853 1.679 463 1HG2 THR 63 1HG2 THR 63 -16.345 3.150 -0.006 464 2HG2 THR 63 2HG2 THR 63 -16.108 2.094 1.386 465 3HG2 THR 63 3HG2 THR 63 -16.297 3.831 1.620 466 H CYS 64 H CYS 64 -13.281 1.617 -0.931 467 HA CYS 64 HA CYS 64 -14.117 1.545 -3.745 468 1HB CYS 64 1HB CYS 64 -12.052 0.514 -2.488 469 2HB CYS 64 2HB CYS 64 -13.173 -0.792 -2.103 Start of MODEL 20 1 1H LYS 1 1H LYS 1 5.325 6.484 10.694 2 2H LYS 1 2H LYS 1 5.495 8.050 10.056 3 3H LYS 1 3H LYS 1 4.812 7.826 11.596 4 HA LYS 1 HA LYS 1 2.811 7.057 10.768 5 1HB LYS 1 1HB LYS 1 2.785 9.325 10.255 6 2HB LYS 1 2HB LYS 1 4.163 9.197 9.163 7 1HG LYS 1 1HG LYS 1 2.861 8.615 7.365 8 2HG LYS 1 2HG LYS 1 1.704 7.730 8.357 9 1HD LYS 1 1HD LYS 1 0.699 9.804 9.126 10 2HD LYS 1 2HD LYS 1 1.929 10.751 8.287 11 1HE LYS 1 1HE LYS 1 0.153 10.805 6.744 12 2HE LYS 1 2HE LYS 1 1.075 9.402 6.167 13 1HZ LYS 1 1HZ LYS 1 -0.846 8.963 8.323 14 2HZ LYS 1 2HZ LYS 1 -1.481 9.220 6.772 15 3HZ LYS 1 3HZ LYS 1 -0.400 7.937 7.045 16 H ASP 2 H ASP 2 2.237 5.149 9.830 17 HA ASP 2 HA ASP 2 3.560 4.346 7.266 18 1HB ASP 2 1HB ASP 2 2.003 2.744 9.324 19 2HB ASP 2 2HB ASP 2 2.896 2.081 7.955 20 H GLY 3 H GLY 3 1.820 2.780 6.042 21 1HA GLY 3 1HA GLY 3 -0.933 3.707 6.248 22 2HA GLY 3 2HA GLY 3 -0.101 4.356 4.838 23 H TYR 4 H TYR 4 -2.274 2.751 4.463 24 HA TYR 4 HA TYR 4 -1.131 0.113 3.606 25 1HB TYR 4 1HB TYR 4 -3.446 0.925 5.080 26 2HB TYR 4 2HB TYR 4 -3.996 0.230 3.556 27 HD1 TYR 4 HD1 TYR 4 -2.439 -1.932 2.851 28 HD2 TYR 4 HD2 TYR 4 -3.289 -0.579 6.839 29 HE1 TYR 4 HE1 TYR 4 -1.977 -4.207 3.722 30 HE2 TYR 4 HE2 TYR 4 -2.825 -2.855 7.709 31 HH TYR 4 HH TYR 4 -2.943 -5.326 6.546 32 H LEU 5 H LEU 5 -0.615 0.314 1.416 33 HA LEU 5 HA LEU 5 -1.434 2.192 -0.436 34 1HB LEU 5 1HB LEU 5 -0.265 -0.417 -0.426 35 2HB LEU 5 2HB LEU 5 -1.451 -0.359 -1.731 36 HG LEU 5 HG LEU 5 0.894 1.504 -1.288 37 1HD1 LEU 5 1HD1 LEU 5 0.598 -0.859 -2.757 38 2HD1 LEU 5 2HD1 LEU 5 0.437 0.425 -3.954 39 3HD1 LEU 5 3HD1 LEU 5 1.882 0.336 -2.947 40 1HD2 LEU 5 1HD2 LEU 5 -1.620 1.823 -2.897 41 2HD2 LEU 5 2HD2 LEU 5 -0.720 3.035 -1.984 42 3HD2 LEU 5 3HD2 LEU 5 -0.108 2.467 -3.537 43 H VAL 6 H VAL 6 -3.202 2.451 -1.834 44 HA VAL 6 HA VAL 6 -5.681 0.996 -1.019 45 HB VAL 6 HB VAL 6 -6.810 2.966 -1.896 46 1HG1 VAL 6 1HG1 VAL 6 -4.557 3.206 0.001 47 2HG1 VAL 6 2HG1 VAL 6 -5.140 4.734 -0.657 48 3HG1 VAL 6 3HG1 VAL 6 -6.249 3.662 0.197 49 1HG2 VAL 6 1HG2 VAL 6 -4.463 3.144 -3.503 50 2HG2 VAL 6 2HG2 VAL 6 -5.913 4.144 -3.591 51 3HG2 VAL 6 3HG2 VAL 6 -4.568 4.631 -2.558 52 H GLU 7 H GLU 7 -7.271 1.290 -3.171 53 HA GLU 7 HA GLU 7 -5.791 0.102 -5.492 54 1HB GLU 7 1HB GLU 7 -6.997 -1.542 -3.959 55 2HB GLU 7 2HB GLU 7 -8.504 -0.772 -4.458 56 1HG GLU 7 1HG GLU 7 -8.408 -1.644 -6.578 57 2HG GLU 7 2HG GLU 7 -6.646 -1.586 -6.633 58 H LYS 8 H LYS 8 -7.340 0.137 -7.490 59 HA LYS 8 HA LYS 8 -7.969 2.695 -8.316 60 1HB LYS 8 1HB LYS 8 -9.253 0.016 -8.884 61 2HB LYS 8 2HB LYS 8 -9.698 1.469 -9.781 62 1HG LYS 8 1HG LYS 8 -6.907 0.302 -9.558 63 2HG LYS 8 2HG LYS 8 -7.946 0.242 -10.982 64 1HD LYS 8 1HD LYS 8 -8.013 2.858 -10.683 65 2HD LYS 8 2HD LYS 8 -6.520 2.592 -9.781 66 1HE LYS 8 1HE LYS 8 -7.051 1.686 -12.636 67 2HE LYS 8 2HE LYS 8 -5.970 3.004 -12.139 68 1HZ LYS 8 1HZ LYS 8 -5.144 1.038 -10.541 69 2HZ LYS 8 2HZ LYS 8 -5.614 0.129 -11.893 70 3HZ LYS 8 3HZ LYS 8 -4.450 1.356 -12.058 71 H THR 9 H THR 9 -10.398 0.429 -6.956 72 HA THR 9 HA THR 9 -12.491 2.381 -6.734 73 HB THR 9 HB THR 9 -13.286 0.555 -5.026 74 HG1 THR 9 HG1 THR 9 -11.394 -1.042 -6.282 75 1HG2 THR 9 1HG2 THR 9 -13.578 0.845 -7.695 76 2HG2 THR 9 2HG2 THR 9 -12.725 -0.699 -7.659 77 3HG2 THR 9 3HG2 THR 9 -14.256 -0.517 -6.801 78 H GLY 10 H GLY 10 -9.690 1.745 -4.800 79 1HA GLY 10 1HA GLY 10 -9.048 3.540 -3.193 80 2HA GLY 10 2HA GLY 10 -10.742 3.601 -2.702 81 H CYS 11 H CYS 11 -11.014 0.658 -2.809 82 HA CYS 11 HA CYS 11 -10.568 -0.050 -0.134 83 1HB CYS 11 1HB CYS 11 -10.896 -1.480 -2.744 84 2HB CYS 11 2HB CYS 11 -10.454 -2.436 -1.330 85 H LYS 12 H LYS 12 -8.978 -1.889 0.546 86 HA LYS 12 HA LYS 12 -6.250 -0.953 0.068 87 1HB LYS 12 1HB LYS 12 -7.694 -2.942 1.764 88 2HB LYS 12 2HB LYS 12 -5.966 -3.191 1.524 89 1HG LYS 12 1HG LYS 12 -5.391 -1.198 2.581 90 2HG LYS 12 2HG LYS 12 -6.965 -0.462 2.276 91 1HD LYS 12 1HD LYS 12 -6.729 -1.066 4.656 92 2HD LYS 12 2HD LYS 12 -8.004 -2.015 3.892 93 1HE LYS 12 1HE LYS 12 -5.524 -3.416 3.541 94 2HE LYS 12 2HE LYS 12 -5.703 -3.000 5.257 95 1HZ LYS 12 1HZ LYS 12 -7.968 -4.050 3.669 96 2HZ LYS 12 2HZ LYS 12 -6.879 -5.095 4.448 97 3HZ LYS 12 3HZ LYS 12 -7.796 -3.997 5.359 98 H LYS 13 H LYS 13 -4.681 -3.121 -0.058 99 HA LYS 13 HA LYS 13 -5.526 -4.588 -2.538 100 1HB LYS 13 1HB LYS 13 -3.502 -2.728 -2.225 101 2HB LYS 13 2HB LYS 13 -2.646 -4.257 -2.023 102 1HG LYS 13 1HG LYS 13 -4.271 -4.811 -4.165 103 2HG LYS 13 2HG LYS 13 -3.887 -3.110 -4.435 104 1HD LYS 13 1HD LYS 13 -1.624 -3.517 -4.691 105 2HD LYS 13 2HD LYS 13 -1.661 -4.951 -3.665 106 1HE LYS 13 1HE LYS 13 -2.417 -6.333 -5.387 107 2HE LYS 13 2HE LYS 13 -3.162 -4.987 -6.272 108 1HZ LYS 13 1HZ LYS 13 -0.836 -4.075 -6.486 109 2HZ LYS 13 2HZ LYS 13 -0.275 -5.590 -5.971 110 3HZ LYS 13 3HZ LYS 13 -1.171 -5.461 -7.409 111 H THR 14 H THR 14 -4.849 -6.808 -2.633 112 HA THR 14 HA THR 14 -4.083 -7.934 0.033 113 HB THR 14 HB THR 14 -5.670 -8.986 -2.321 114 HG1 THR 14 HG1 THR 14 -6.506 -8.894 0.346 115 1HG2 THR 14 1HG2 THR 14 -4.128 -10.692 -1.178 116 2HG2 THR 14 2HG2 THR 14 -5.130 -10.464 0.255 117 3HG2 THR 14 3HG2 THR 14 -5.845 -11.089 -1.230 118 H CYS 15 H CYS 15 -2.490 -9.569 0.116 119 HA CYS 15 HA CYS 15 -1.038 -10.276 -2.380 120 1HB CYS 15 1HB CYS 15 1.105 -9.623 -1.249 121 2HB CYS 15 2HB CYS 15 0.045 -8.248 -1.556 122 H TYR 16 H TYR 16 -0.745 -12.451 -2.295 123 HA TYR 16 HA TYR 16 -1.260 -13.994 0.102 124 1HB TYR 16 1HB TYR 16 0.057 -14.834 -2.496 125 2HB TYR 16 2HB TYR 16 -0.861 -15.854 -1.386 126 HD1 TYR 16 HD1 TYR 16 -3.325 -15.369 -1.020 127 HD2 TYR 16 HD2 TYR 16 -1.039 -13.547 -4.166 128 HE1 TYR 16 HE1 TYR 16 -5.425 -14.757 -2.188 129 HE2 TYR 16 HE2 TYR 16 -3.138 -12.937 -5.338 130 HH TYR 16 HH TYR 16 -5.967 -12.708 -4.031 131 H LYS 17 H LYS 17 1.716 -13.197 -1.721 132 HA LYS 17 HA LYS 17 3.467 -14.722 0.010 133 1HB LYS 17 1HB LYS 17 3.602 -12.847 -2.267 134 2HB LYS 17 2HB LYS 17 5.018 -12.814 -1.214 135 1HG LYS 17 1HG LYS 17 3.818 -15.336 -2.395 136 2HG LYS 17 2HG LYS 17 5.221 -14.496 -3.054 137 1HD LYS 17 1HD LYS 17 6.585 -15.451 -1.538 138 2HD LYS 17 2HD LYS 17 5.549 -14.928 -0.210 139 1HE LYS 17 1HE LYS 17 5.606 -17.351 -0.157 140 2HE LYS 17 2HE LYS 17 4.015 -16.891 -0.797 141 1HZ LYS 17 1HZ LYS 17 5.116 -16.946 -3.055 142 2HZ LYS 17 2HZ LYS 17 6.411 -17.752 -2.314 143 3HZ LYS 17 3HZ LYS 17 4.865 -18.455 -2.314 144 H LEU 18 H LEU 18 3.305 -14.125 2.185 145 HA LEU 18 HA LEU 18 3.210 -11.318 3.021 146 1HB LEU 18 1HB LEU 18 3.429 -14.009 4.386 147 2HB LEU 18 2HB LEU 18 3.453 -12.500 5.297 148 HG LEU 18 HG LEU 18 1.255 -13.324 3.380 149 1HD1 LEU 18 1HD1 LEU 18 1.767 -13.978 6.171 150 2HD1 LEU 18 2HD1 LEU 18 0.248 -13.105 5.981 151 3HD1 LEU 18 3HD1 LEU 18 0.521 -14.602 5.091 152 1HD2 LEU 18 1HD2 LEU 18 2.015 -10.809 4.431 153 2HD2 LEU 18 2HD2 LEU 18 0.526 -11.202 3.572 154 3HD2 LEU 18 3HD2 LEU 18 0.585 -11.309 5.331 155 H GLY 19 H GLY 19 4.943 -10.111 3.833 156 1HA GLY 19 1HA GLY 19 7.176 -9.970 4.847 157 2HA GLY 19 2HA GLY 19 7.589 -11.476 4.029 158 H GLU 20 H GLU 20 9.468 -10.076 3.342 159 HA GLU 20 HA GLU 20 9.338 -7.844 1.648 160 1HB GLU 20 1HB GLU 20 11.155 -10.175 2.066 161 2HB GLU 20 2HB GLU 20 11.439 -9.179 0.638 162 1HG GLU 20 1HG GLU 20 11.107 -7.983 3.394 163 2HG GLU 20 2HG GLU 20 12.679 -8.474 2.763 164 H ASN 21 H ASN 21 7.430 -8.120 0.303 165 HA ASN 21 HA ASN 21 7.520 -10.275 -1.742 166 1HB ASN 21 1HB ASN 21 5.454 -9.723 -0.438 167 2HB ASN 21 2HB ASN 21 5.471 -8.112 -1.156 168 1HD2 ASN 21 2HD2 ASN 21 3.720 -10.763 -1.491 169 2HD2 ASN 21 1HD2 ASN 21 3.539 -10.849 -3.177 170 H ASP 22 H ASP 22 9.208 -9.518 -3.110 171 HA ASP 22 HA ASP 22 9.996 -7.115 -4.050 172 1HB ASP 22 1HB ASP 22 11.034 -8.845 -5.136 173 2HB ASP 22 2HB ASP 22 9.555 -9.792 -5.248 174 H PHE 23 H PHE 23 7.179 -8.757 -5.591 175 HA PHE 23 HA PHE 23 6.401 -6.596 -7.244 176 1HB PHE 23 1HB PHE 23 5.543 -9.145 -6.677 177 2HB PHE 23 2HB PHE 23 4.224 -8.172 -6.021 178 HD1 PHE 23 HD1 PHE 23 6.361 -8.576 -9.064 179 HD2 PHE 23 HD2 PHE 23 2.610 -7.239 -7.456 180 HE1 PHE 23 HE1 PHE 23 5.524 -8.159 -11.362 181 HE2 PHE 23 HE2 PHE 23 1.773 -6.822 -9.752 182 HZ PHE 23 HZ PHE 23 3.230 -7.282 -11.705 183 H CYS 24 H CYS 24 5.059 -7.450 -4.023 184 HA CYS 24 HA CYS 24 3.503 -5.063 -3.727 185 1HB CYS 24 1HB CYS 24 3.971 -7.457 -2.381 186 2HB CYS 24 2HB CYS 24 4.585 -6.239 -1.263 187 H ASN 25 H ASN 25 6.880 -5.835 -3.012 188 HA ASN 25 HA ASN 25 7.518 -3.542 -1.417 189 1HB ASN 25 1HB ASN 25 8.903 -5.574 -1.643 190 2HB ASN 25 2HB ASN 25 9.180 -5.200 -3.345 191 1HD2 ASN 25 2HD2 ASN 25 11.331 -4.512 -3.471 192 2HD2 ASN 25 1HD2 ASN 25 12.030 -3.343 -2.457 193 H ARG 26 H ARG 26 8.216 -4.124 -4.891 194 HA ARG 26 HA ARG 26 9.020 -1.484 -5.538 195 1HB ARG 26 1HB ARG 26 8.691 -3.918 -6.802 196 2HB ARG 26 2HB ARG 26 7.457 -2.925 -7.580 197 1HG ARG 26 1HG ARG 26 9.284 -1.150 -7.866 198 2HG ARG 26 2HG ARG 26 10.427 -2.414 -7.424 199 1HD ARG 26 1HD ARG 26 10.285 -3.379 -9.470 200 2HD ARG 26 2HD ARG 26 8.515 -3.318 -9.456 201 HE ARG 26 HE ARG 26 10.231 -1.493 -10.840 202 1HH1 ARG 26 1HH1 ARG 26 7.487 -1.455 -8.723 203 2HH1 ARG 26 2HH1 ARG 26 7.053 0.169 -9.128 204 1HH2 ARG 26 1HH2 ARG 26 9.644 0.599 -11.382 205 2HH2 ARG 26 2HH2 ARG 26 8.261 1.325 -10.632 206 H GLU 27 H GLU 27 5.804 -2.975 -5.427 207 HA GLU 27 HA GLU 27 4.179 -1.045 -6.612 208 1HB GLU 27 1HB GLU 27 3.990 -3.010 -4.392 209 2HB GLU 27 2HB GLU 27 2.721 -1.786 -4.437 210 1HG GLU 27 1HG GLU 27 3.518 -3.412 -6.862 211 2HG GLU 27 2HG GLU 27 2.234 -3.906 -5.758 212 H CYS 28 H CYS 28 5.021 -1.098 -3.118 213 HA CYS 28 HA CYS 28 4.065 1.631 -2.717 214 1HB CYS 28 1HB CYS 28 3.959 -0.129 -0.998 215 2HB CYS 28 2HB CYS 28 5.718 -0.268 -1.016 216 H LYS 29 H LYS 29 6.960 0.301 -3.944 217 HA LYS 29 HA LYS 29 8.709 2.471 -2.964 218 1HB LYS 29 1HB LYS 29 9.108 -0.126 -3.577 219 2HB LYS 29 2HB LYS 29 9.511 0.595 -5.137 220 1HG LYS 29 1HG LYS 29 10.663 2.000 -2.811 221 2HG LYS 29 2HG LYS 29 11.270 0.361 -3.050 222 1HD LYS 29 1HD LYS 29 12.088 0.842 -5.204 223 2HD LYS 29 2HD LYS 29 11.081 2.282 -5.363 224 1HE LYS 29 1HE LYS 29 12.643 3.594 -4.360 225 2HE LYS 29 2HE LYS 29 12.902 2.414 -3.060 226 1HZ LYS 29 1HZ LYS 29 13.835 1.904 -5.819 227 2HZ LYS 29 2HZ LYS 29 14.799 2.754 -4.712 228 3HZ LYS 29 3HZ LYS 29 14.333 1.154 -4.378 229 H TRP 30 H TRP 30 6.308 2.553 -5.100 230 HA TRP 30 HA TRP 30 7.186 3.327 -7.623 231 1HB TRP 30 1HB TRP 30 4.933 3.858 -5.824 232 2HB TRP 30 2HB TRP 30 5.208 5.167 -6.974 233 HD1 TRP 30 HD1 TRP 30 3.095 2.389 -6.794 234 HE1 TRP 30 HE1 TRP 30 2.623 1.299 -9.080 235 HE3 TRP 30 HE3 TRP 30 6.914 4.394 -9.536 236 HZ2 TRP 30 HZ2 TRP 30 3.718 1.277 -11.723 237 HZ3 TRP 30 HZ3 TRP 30 7.173 3.820 -11.934 238 HH2 TRP 30 HH2 TRP 30 5.582 2.266 -13.029 239 H LYS 31 H LYS 31 8.508 4.945 -8.355 240 HA LYS 31 HA LYS 31 9.978 6.695 -6.701 241 1HB LYS 31 1HB LYS 31 9.121 7.151 -9.575 242 2HB LYS 31 2HB LYS 31 10.591 7.745 -8.802 243 1HG LYS 31 1HG LYS 31 10.360 4.868 -8.496 244 2HG LYS 31 2HG LYS 31 10.294 5.325 -10.199 245 1HD LYS 31 1HD LYS 31 12.380 6.519 -10.037 246 2HD LYS 31 2HD LYS 31 12.403 6.348 -8.282 247 1HE LYS 31 1HE LYS 31 13.712 4.516 -8.698 248 2HE LYS 31 2HE LYS 31 12.180 3.721 -9.115 249 1HZ LYS 31 1HZ LYS 31 12.441 4.653 -11.386 250 2HZ LYS 31 2HZ LYS 31 13.997 5.183 -10.957 251 3HZ LYS 31 3HZ LYS 31 13.639 3.523 -10.981 252 H HIS 32 H HIS 32 6.763 7.063 -8.089 253 HA HIS 32 HA HIS 32 6.533 9.918 -7.596 254 1HB HIS 32 1HB HIS 32 4.458 7.727 -7.955 255 2HB HIS 32 2HB HIS 32 4.160 9.458 -8.120 256 HD1 HIS 32 HD1 HIS 32 6.697 10.250 -9.701 257 HD2 HIS 32 HD2 HIS 32 4.322 6.954 -10.633 258 HE1 HIS 32 HE1 HIS 32 7.131 9.722 -12.140 259 H ILE 33 H ILE 33 6.380 7.106 -5.624 260 HA ILE 33 HA ILE 33 4.924 8.586 -3.470 261 HB ILE 33 HB ILE 33 5.275 5.728 -4.308 262 1HG1 ILE 33 1HG1 ILE 33 2.867 5.675 -3.860 263 2HG1 ILE 33 2HG1 ILE 33 2.941 7.289 -3.155 264 1HG2 ILE 33 1HG2 ILE 33 4.863 6.678 -1.467 265 2HG2 ILE 33 2HG2 ILE 33 4.296 5.100 -2.015 266 3HG2 ILE 33 3HG2 ILE 33 6.017 5.483 -2.061 267 1HD1 ILE 33 1HD1 ILE 33 3.860 6.765 -5.983 268 2HD1 ILE 33 2HD1 ILE 33 2.171 7.110 -5.612 269 3HD1 ILE 33 3HD1 ILE 33 3.416 8.303 -5.242 270 H GLY 34 H GLY 34 8.003 7.441 -4.472 271 1HA GLY 34 1HA GLY 34 10.057 7.178 -3.337 272 2HA GLY 34 2HA GLY 34 9.560 8.686 -2.574 273 H GLY 35 H GLY 35 8.016 5.517 -2.223 274 1HA GLY 35 1HA GLY 35 7.858 5.767 0.634 275 2HA GLY 35 2HA GLY 35 7.555 4.285 -0.275 276 H SER 36 H SER 36 9.274 5.102 2.219 277 HA SER 36 HA SER 36 12.016 4.499 1.521 278 1HB SER 36 1HB SER 36 12.318 4.984 3.735 279 2HB SER 36 2HB SER 36 10.635 5.502 3.669 280 HG SER 36 HG SER 36 10.035 3.716 4.673 281 H TYR 37 H TYR 37 9.504 2.547 3.184 282 HA TYR 37 HA TYR 37 10.737 0.083 2.016 283 1HB TYR 37 1HB TYR 37 10.893 1.028 4.713 284 2HB TYR 37 2HB TYR 37 9.862 -0.402 4.703 285 HD1 TYR 37 HD1 TYR 37 10.728 -2.504 3.495 286 HD2 TYR 37 HD2 TYR 37 13.235 0.827 4.533 287 HE1 TYR 37 HE1 TYR 37 12.734 -3.942 3.265 288 HE2 TYR 37 HE2 TYR 37 15.241 -0.614 4.303 289 HH TYR 37 HH TYR 37 15.773 -2.815 2.930 290 H GLY 38 H GLY 38 9.152 -1.347 1.301 291 1HA GLY 38 1HA GLY 38 6.473 -1.305 2.516 292 2HA GLY 38 2HA GLY 38 6.536 -0.776 0.836 293 H TYR 39 H TYR 39 5.124 -3.091 1.697 294 HA TYR 39 HA TYR 39 5.885 -5.021 -0.218 295 1HB TYR 39 1HB TYR 39 6.868 -6.714 1.503 296 2HB TYR 39 2HB TYR 39 7.916 -5.428 0.910 297 HD1 TYR 39 HD1 TYR 39 5.369 -5.961 3.631 298 HD2 TYR 39 HD2 TYR 39 9.139 -4.250 2.486 299 HE1 TYR 39 HE1 TYR 39 5.711 -5.158 5.953 300 HE2 TYR 39 HE2 TYR 39 9.480 -3.448 4.807 301 HH TYR 39 HH TYR 39 8.636 -3.317 6.847 302 H CYS 40 H CYS 40 5.095 -7.404 0.806 303 HA CYS 40 HA CYS 40 2.260 -6.999 1.323 304 1HB CYS 40 1HB CYS 40 3.168 -8.828 -0.049 305 2HB CYS 40 2HB CYS 40 4.041 -9.458 1.349 306 H TYR 41 H TYR 41 1.287 -6.862 3.300 307 HA TYR 41 HA TYR 41 2.536 -8.140 5.673 308 1HB TYR 41 1HB TYR 41 3.572 -5.983 5.671 309 2HB TYR 41 2HB TYR 41 2.063 -5.182 5.237 310 HD1 TYR 41 HD1 TYR 41 3.020 -7.706 7.852 311 HD2 TYR 41 HD2 TYR 41 1.253 -3.888 6.985 312 HE1 TYR 41 HE1 TYR 41 2.479 -7.410 10.255 313 HE2 TYR 41 HE2 TYR 41 0.712 -3.592 9.387 314 HH TYR 41 HH TYR 41 0.696 -4.543 11.395 315 H GLY 42 H GLY 42 0.822 -9.253 6.567 316 1HA GLY 42 1HA GLY 42 -1.331 -9.657 7.430 317 2HA GLY 42 2HA GLY 42 -1.625 -7.918 7.324 318 H PHE 43 H PHE 43 -0.771 -10.183 4.732 319 HA PHE 43 HA PHE 43 -1.870 -10.693 2.714 320 1HB PHE 43 1HB PHE 43 -4.157 -10.152 4.625 321 2HB PHE 43 2HB PHE 43 -4.406 -10.763 2.989 322 HD1 PHE 43 HD1 PHE 43 -2.271 -12.644 2.536 323 HD2 PHE 43 HD2 PHE 43 -4.471 -11.892 6.150 324 HE1 PHE 43 HE1 PHE 43 -1.773 -14.944 3.320 325 HE2 PHE 43 HE2 PHE 43 -3.974 -14.192 6.931 326 HZ PHE 43 HZ PHE 43 -2.625 -15.719 5.516 327 H GLY 44 H GLY 44 -0.918 -7.990 3.036 328 1HA GLY 44 1HA GLY 44 -2.366 -6.694 0.910 329 2HA GLY 44 2HA GLY 44 -2.758 -5.941 2.456 330 H CYS 45 H CYS 45 -1.190 -4.881 0.118 331 HA CYS 45 HA CYS 45 1.606 -4.747 0.840 332 1HB CYS 45 1HB CYS 45 -0.145 -3.894 -1.222 333 2HB CYS 45 2HB CYS 45 0.652 -2.443 -0.618 334 H TYR 46 H TYR 46 2.580 -3.456 2.360 335 HA TYR 46 HA TYR 46 0.957 -1.235 3.555 336 1HB TYR 46 1HB TYR 46 1.538 -3.435 4.846 337 2HB TYR 46 2HB TYR 46 3.155 -2.739 4.960 338 HD1 TYR 46 HD1 TYR 46 -0.445 -1.924 5.552 339 HD2 TYR 46 HD2 TYR 46 3.638 -1.164 6.645 340 HE1 TYR 46 HE1 TYR 46 -1.215 -0.471 7.406 341 HE2 TYR 46 HE2 TYR 46 2.868 0.290 8.502 342 HH TYR 46 HH TYR 46 0.091 1.659 8.730 343 H CYS 47 H CYS 47 2.171 0.681 4.141 344 HA CYS 47 HA CYS 47 4.852 0.883 2.803 345 1HB CYS 47 1HB CYS 47 2.476 2.743 2.981 346 2HB CYS 47 2HB CYS 47 4.074 3.326 2.517 347 H GLU 48 H GLU 48 6.472 1.947 3.955 348 HA GLU 48 HA GLU 48 5.767 3.046 6.653 349 1HB GLU 48 1HB GLU 48 7.215 0.679 5.962 350 2HB GLU 48 2HB GLU 48 8.364 1.830 6.648 351 1HG GLU 48 1HG GLU 48 5.982 1.946 8.215 352 2HG GLU 48 2HG GLU 48 6.415 0.246 8.022 353 H GLY 49 H GLY 49 6.994 4.895 7.230 354 1HA GLY 49 1HA GLY 49 8.340 6.785 6.852 355 2HA GLY 49 2HA GLY 49 9.430 5.702 5.984 356 H LEU 50 H LEU 50 6.053 6.393 5.231 357 HA LEU 50 HA LEU 50 6.873 7.160 2.487 358 1HB LEU 50 1HB LEU 50 4.303 6.992 2.203 359 2HB LEU 50 2HB LEU 50 5.180 5.502 2.535 360 HG LEU 50 HG LEU 50 4.255 7.013 4.917 361 1HD1 LEU 50 1HD1 LEU 50 2.451 6.206 2.746 362 2HD1 LEU 50 2HD1 LEU 50 2.028 5.494 4.304 363 3HD1 LEU 50 3HD1 LEU 50 2.140 7.247 4.136 364 1HD2 LEU 50 1HD2 LEU 50 5.134 4.396 4.220 365 2HD2 LEU 50 2HD2 LEU 50 4.670 4.986 5.816 366 3HD2 LEU 50 3HD2 LEU 50 3.462 4.252 4.761 367 HA PRO 51 HA PRO 51 6.382 11.476 3.439 368 1HB PRO 51 1HB PRO 51 5.766 12.036 0.684 369 2HB PRO 51 2HB PRO 51 7.292 12.293 1.535 370 1HG PRO 51 1HG PRO 51 6.708 10.317 -0.455 371 2HG PRO 51 2HG PRO 51 8.221 10.554 0.423 372 1HD PRO 51 1HD PRO 51 6.301 8.415 0.734 373 2HD PRO 51 2HD PRO 51 7.841 8.642 1.599 374 H ASP 52 H ASP 52 4.674 13.205 3.126 375 HA ASP 52 HA ASP 52 2.028 12.180 3.631 376 1HB ASP 52 1HB ASP 52 3.259 14.395 4.294 377 2HB ASP 52 2HB ASP 52 2.668 14.986 2.741 378 H SER 53 H SER 53 3.737 12.811 0.715 379 HA SER 53 HA SER 53 1.415 13.458 -0.936 380 1HB SER 53 1HB SER 53 3.150 14.134 -2.210 381 2HB SER 53 2HB SER 53 4.276 13.380 -1.086 382 HG SER 53 HG SER 53 2.903 12.107 -3.227 383 H THR 54 H THR 54 2.813 10.549 0.300 384 HA THR 54 HA THR 54 2.095 8.719 -1.793 385 HB THR 54 HB THR 54 2.389 8.382 1.210 386 HG1 THR 54 HG1 THR 54 4.159 9.194 -0.279 387 1HG2 THR 54 1HG2 THR 54 1.821 6.500 -0.994 388 2HG2 THR 54 2HG2 THR 54 3.140 6.017 0.072 389 3HG2 THR 54 3HG2 THR 54 1.537 6.327 0.738 390 H GLN 55 H GLN 55 0.116 7.866 -2.313 391 HA GLN 55 HA GLN 55 -2.257 8.712 -0.737 392 1HB GLN 55 1HB GLN 55 -1.686 8.642 -3.393 393 2HB GLN 55 2HB GLN 55 -2.473 7.075 -3.211 394 1HG GLN 55 1HG GLN 55 -3.602 9.813 -2.612 395 2HG GLN 55 2HG GLN 55 -4.236 8.586 -3.708 396 1HE2 GLN 55 2HE2 GLN 55 -3.951 9.493 -0.292 397 2HE2 GLN 55 1HE2 GLN 55 -5.078 8.360 0.282 398 H THR 56 H THR 56 -2.810 7.286 0.910 399 HA THR 56 HA THR 56 -2.836 4.372 0.238 400 HB THR 56 HB THR 56 -2.095 4.414 2.866 401 HG1 THR 56 HG1 THR 56 -1.163 6.218 3.327 402 1HG2 THR 56 1HG2 THR 56 -0.787 4.036 0.273 403 2HG2 THR 56 2HG2 THR 56 0.337 4.502 1.548 404 3HG2 THR 56 3HG2 THR 56 -0.667 3.067 1.742 405 H TRP 57 H TRP 57 -3.934 3.220 2.273 406 HA TRP 57 HA TRP 57 -6.613 4.413 2.579 407 1HB TRP 57 1HB TRP 57 -5.569 1.925 2.152 408 2HB TRP 57 2HB TRP 57 -5.789 1.881 3.896 409 HD1 TRP 57 HD1 TRP 57 -7.922 3.174 0.925 410 HE1 TRP 57 HE1 TRP 57 -10.349 2.381 1.282 411 HE3 TRP 57 HE3 TRP 57 -7.380 0.615 5.312 412 HZ2 TRP 57 HZ2 TRP 57 -11.860 0.862 3.175 413 HZ3 TRP 57 HZ3 TRP 57 -9.330 -0.494 6.368 414 HH2 TRP 57 HH2 TRP 57 -11.567 -0.373 5.306 415 HA PRO 58 HA PRO 58 -8.239 3.913 3.927 416 1HB PRO 58 1HB PRO 58 -9.683 5.512 5.708 417 2HB PRO 58 2HB PRO 58 -9.457 3.765 5.836 418 1HG PRO 58 1HG PRO 58 -8.352 5.855 7.518 419 2HG PRO 58 2HG PRO 58 -8.267 4.105 7.737 420 1HD PRO 58 1HD PRO 58 -6.178 5.906 6.816 421 2HD PRO 58 2HD PRO 58 -6.064 4.158 7.144 422 H LEU 59 H LEU 59 -9.936 5.472 3.055 423 HA LEU 59 HA LEU 59 -8.626 7.941 2.052 424 1HB LEU 59 1HB LEU 59 -10.818 6.076 1.298 425 2HB LEU 59 2HB LEU 59 -11.048 7.755 0.819 426 HG LEU 59 HG LEU 59 -9.842 6.317 -0.886 427 1HD1 LEU 59 1HD1 LEU 59 -8.396 8.706 0.297 428 2HD1 LEU 59 2HD1 LEU 59 -8.058 8.025 -1.295 429 3HD1 LEU 59 3HD1 LEU 59 -9.634 8.744 -0.959 430 1HD2 LEU 59 1HD2 LEU 59 -7.680 6.436 1.241 431 2HD2 LEU 59 2HD2 LEU 59 -8.529 4.985 0.710 432 3HD2 LEU 59 3HD2 LEU 59 -7.456 5.834 -0.402 433 HA PRO 60 HA PRO 60 -10.923 10.904 4.375 434 1HB PRO 60 1HB PRO 60 -12.536 11.894 2.166 435 2HB PRO 60 2HB PRO 60 -11.177 12.675 2.980 436 1HG PRO 60 1HG PRO 60 -11.187 11.547 0.373 437 2HG PRO 60 2HG PRO 60 -9.795 12.184 1.254 438 1HD PRO 60 1HD PRO 60 -10.386 9.429 0.616 439 2HD PRO 60 2HD PRO 60 -8.966 10.071 1.473 440 H ASN 61 H ASN 61 -13.526 11.814 4.241 441 HA ASN 61 HA ASN 61 -15.094 9.817 5.422 442 1HB ASN 61 1HB ASN 61 -15.505 12.304 5.306 443 2HB ASN 61 2HB ASN 61 -16.071 12.079 3.650 444 1HD2 ASN 61 2HD2 ASN 61 -18.242 11.477 3.385 445 2HD2 ASN 61 1HD2 ASN 61 -19.259 10.974 4.647 446 H LYS 62 H LYS 62 -14.422 10.394 2.047 447 HA LYS 62 HA LYS 62 -16.574 8.609 1.099 448 1HB LYS 62 1HB LYS 62 -15.655 9.207 -1.097 449 2HB LYS 62 2HB LYS 62 -15.804 10.661 -0.108 450 1HG LYS 62 1HG LYS 62 -13.586 11.031 -0.203 451 2HG LYS 62 2HG LYS 62 -13.242 9.388 0.341 452 1HD LYS 62 1HD LYS 62 -12.270 9.665 -1.861 453 2HD LYS 62 2HD LYS 62 -13.667 8.597 -2.010 454 1HE LYS 62 1HE LYS 62 -14.917 10.167 -3.160 455 2HE LYS 62 2HE LYS 62 -14.132 11.536 -2.349 456 1HZ LYS 62 1HZ LYS 62 -12.231 9.975 -3.775 457 2HZ LYS 62 2HZ LYS 62 -13.470 10.486 -4.819 458 3HZ LYS 62 3HZ LYS 62 -12.587 11.628 -3.931 459 H THR 63 H THR 63 -15.240 7.039 2.779 460 HA THR 63 HA THR 63 -12.864 5.760 1.757 461 HB THR 63 HB THR 63 -15.010 4.830 3.690 462 HG1 THR 63 HG1 THR 63 -12.799 5.604 4.889 463 1HG2 THR 63 1HG2 THR 63 -12.183 3.889 3.164 464 2HG2 THR 63 2HG2 THR 63 -13.088 3.470 4.618 465 3HG2 THR 63 3HG2 THR 63 -13.668 2.947 3.037 466 H CYS 64 H CYS 64 -12.933 3.309 1.288 467 HA CYS 64 HA CYS 64 -14.431 2.809 -1.098 468 1HB CYS 64 1HB CYS 64 -12.210 1.844 -0.136 469 2HB CYS 64 2HB CYS 64 -13.251 0.704 0.715 Start of MODEL 21 1 1H LYS 1 1H LYS 1 5.880 7.209 9.782 2 2H LYS 1 2H LYS 1 5.470 8.662 10.562 3 3H LYS 1 3H LYS 1 4.512 7.277 10.783 4 HA LYS 1 HA LYS 1 3.338 8.661 9.267 5 1HB LYS 1 1HB LYS 1 4.532 9.591 7.321 6 2HB LYS 1 2HB LYS 1 5.357 10.038 8.815 7 1HG LYS 1 1HG LYS 1 6.923 8.133 8.496 8 2HG LYS 1 2HG LYS 1 6.126 7.760 6.967 9 1HD LYS 1 1HD LYS 1 7.642 10.286 7.673 10 2HD LYS 1 2HD LYS 1 8.070 9.089 6.449 11 1HE LYS 1 1HE LYS 1 5.533 9.757 5.654 12 2HE LYS 1 2HE LYS 1 6.121 11.304 6.294 13 1HZ LYS 1 1HZ LYS 1 8.287 10.568 5.046 14 2HZ LYS 1 2HZ LYS 1 7.197 9.672 4.106 15 3HZ LYS 1 3HZ LYS 1 7.037 11.360 4.213 16 H ASP 2 H ASP 2 3.520 5.865 9.651 17 HA ASP 2 HA ASP 2 4.013 4.511 7.105 18 1HB ASP 2 1HB ASP 2 2.463 3.495 9.496 19 2HB ASP 2 2HB ASP 2 3.450 2.567 8.367 20 H GLY 3 H GLY 3 2.325 3.517 5.800 21 1HA GLY 3 1HA GLY 3 -0.478 4.161 6.362 22 2HA GLY 3 2HA GLY 3 0.196 5.035 4.988 23 H TYR 4 H TYR 4 -1.847 3.436 4.398 24 HA TYR 4 HA TYR 4 -0.656 0.931 3.251 25 1HB TYR 4 1HB TYR 4 -3.155 1.648 4.649 26 2HB TYR 4 2HB TYR 4 -3.398 0.662 3.209 27 HD1 TYR 4 HD1 TYR 4 -1.728 -1.393 2.971 28 HD2 TYR 4 HD2 TYR 4 -2.683 0.584 6.661 29 HE1 TYR 4 HE1 TYR 4 -1.033 -3.412 4.233 30 HE2 TYR 4 HE2 TYR 4 -1.985 -1.433 7.923 31 HH TYR 4 HH TYR 4 -1.809 -4.303 6.833 32 H LEU 5 H LEU 5 -0.347 1.189 1.033 33 HA LEU 5 HA LEU 5 -1.495 3.321 -0.500 34 1HB LEU 5 1HB LEU 5 0.320 1.137 -0.817 35 2HB LEU 5 2HB LEU 5 -0.843 1.064 -2.141 36 HG LEU 5 HG LEU 5 0.394 3.698 -1.392 37 1HD1 LEU 5 1HD1 LEU 5 2.265 2.093 -1.672 38 2HD1 LEU 5 2HD1 LEU 5 1.615 1.627 -3.243 39 3HD1 LEU 5 3HD1 LEU 5 2.213 3.266 -2.987 40 1HD2 LEU 5 1HD2 LEU 5 -0.845 2.431 -3.840 41 2HD2 LEU 5 2HD2 LEU 5 -1.357 3.885 -2.983 42 3HD2 LEU 5 3HD2 LEU 5 0.114 3.905 -3.954 43 H VAL 6 H VAL 6 -3.158 3.161 -2.164 44 HA VAL 6 HA VAL 6 -5.216 1.068 -1.550 45 HB VAL 6 HB VAL 6 -6.820 2.760 -2.270 46 1HG1 VAL 6 1HG1 VAL 6 -4.685 3.586 -0.321 47 2HG1 VAL 6 2HG1 VAL 6 -6.033 4.669 -0.667 48 3HG1 VAL 6 3HG1 VAL 6 -6.338 3.065 0.001 49 1HG2 VAL 6 1HG2 VAL 6 -4.317 4.227 -3.111 50 2HG2 VAL 6 2HG2 VAL 6 -5.750 3.867 -4.070 51 3HG2 VAL 6 3HG2 VAL 6 -5.822 5.090 -2.802 52 H GLU 7 H GLU 7 -6.799 1.196 -3.741 53 HA GLU 7 HA GLU 7 -4.976 0.560 -6.044 54 1HB GLU 7 1HB GLU 7 -7.303 -0.810 -4.783 55 2HB GLU 7 2HB GLU 7 -7.202 -0.893 -6.539 56 1HG GLU 7 1HG GLU 7 -4.594 -1.363 -5.419 57 2HG GLU 7 2HG GLU 7 -5.761 -2.446 -4.659 58 H LYS 8 H LYS 8 -6.121 0.847 -8.203 59 HA LYS 8 HA LYS 8 -7.083 3.443 -8.615 60 1HB LYS 8 1HB LYS 8 -6.862 0.923 -10.038 61 2HB LYS 8 2HB LYS 8 -8.316 1.791 -10.534 62 1HG LYS 8 1HG LYS 8 -7.017 3.102 -11.823 63 2HG LYS 8 2HG LYS 8 -6.296 3.747 -10.350 64 1HD LYS 8 1HD LYS 8 -4.352 2.683 -10.755 65 2HD LYS 8 2HD LYS 8 -5.183 1.142 -10.973 66 1HE LYS 8 1HE LYS 8 -5.166 1.323 -13.251 67 2HE LYS 8 2HE LYS 8 -5.525 3.060 -13.205 68 1HZ LYS 8 1HZ LYS 8 -3.172 3.200 -12.162 69 2HZ LYS 8 2HZ LYS 8 -2.930 1.696 -12.914 70 3HZ LYS 8 3HZ LYS 8 -3.324 3.060 -13.845 71 H THR 9 H THR 9 -8.809 0.641 -7.431 72 HA THR 9 HA THR 9 -11.470 1.862 -7.845 73 HB THR 9 HB THR 9 -12.066 -0.296 -6.529 74 HG1 THR 9 HG1 THR 9 -10.467 -1.565 -6.002 75 1HG2 THR 9 1HG2 THR 9 -10.575 -0.448 -9.162 76 2HG2 THR 9 2HG2 THR 9 -11.639 -1.704 -8.529 77 3HG2 THR 9 3HG2 THR 9 -12.297 -0.124 -8.958 78 H GLY 10 H GLY 10 -8.976 1.901 -5.501 79 1HA GLY 10 1HA GLY 10 -9.032 3.393 -3.596 80 2HA GLY 10 2HA GLY 10 -10.792 3.262 -3.583 81 H CYS 11 H CYS 11 -10.357 0.238 -4.023 82 HA CYS 11 HA CYS 11 -10.495 -0.493 -1.203 83 1HB CYS 11 1HB CYS 11 -10.675 -1.815 -3.889 84 2HB CYS 11 2HB CYS 11 -10.475 -2.830 -2.461 85 H LYS 12 H LYS 12 -8.824 -1.287 0.049 86 HA LYS 12 HA LYS 12 -6.101 -1.048 -0.727 87 1HB LYS 12 1HB LYS 12 -5.749 -2.444 1.350 88 2HB LYS 12 2HB LYS 12 -6.795 -1.050 1.583 89 1HG LYS 12 1HG LYS 12 -8.772 -2.420 1.508 90 2HG LYS 12 2HG LYS 12 -7.845 -3.823 0.975 91 1HD LYS 12 1HD LYS 12 -6.500 -3.275 3.236 92 2HD LYS 12 2HD LYS 12 -8.074 -2.625 3.692 93 1HE LYS 12 1HE LYS 12 -8.462 -5.168 2.391 94 2HE LYS 12 2HE LYS 12 -7.287 -5.349 3.709 95 1HZ LYS 12 1HZ LYS 12 -9.721 -3.722 4.074 96 2HZ LYS 12 2HZ LYS 12 -9.778 -5.406 4.291 97 3HZ LYS 12 3HZ LYS 12 -8.748 -4.457 5.253 98 H LYS 13 H LYS 13 -4.693 -3.249 -0.253 99 HA LYS 13 HA LYS 13 -5.790 -5.419 -2.003 100 1HB LYS 13 1HB LYS 13 -4.019 -3.537 -2.857 101 2HB LYS 13 2HB LYS 13 -2.905 -4.749 -2.221 102 1HG LYS 13 1HG LYS 13 -4.859 -6.197 -3.642 103 2HG LYS 13 2HG LYS 13 -4.461 -4.815 -4.663 104 1HD LYS 13 1HD LYS 13 -1.981 -5.633 -3.732 105 2HD LYS 13 2HD LYS 13 -2.835 -7.156 -3.982 106 1HE LYS 13 1HE LYS 13 -3.091 -6.794 -6.277 107 2HE LYS 13 2HE LYS 13 -2.966 -5.031 -6.112 108 1HZ LYS 13 1HZ LYS 13 -0.693 -6.576 -5.165 109 2HZ LYS 13 2HZ LYS 13 -0.917 -6.563 -6.846 110 3HZ LYS 13 3HZ LYS 13 -0.727 -5.099 -6.004 111 H THR 14 H THR 14 -5.467 -7.419 -1.081 112 HA THR 14 HA THR 14 -3.766 -7.581 1.358 113 HB THR 14 HB THR 14 -5.883 -9.362 0.111 114 HG1 THR 14 HG1 THR 14 -6.166 -8.240 2.618 115 1HG2 THR 14 1HG2 THR 14 -4.144 -9.701 2.547 116 2HG2 THR 14 2HG2 THR 14 -5.746 -10.435 2.473 117 3HG2 THR 14 3HG2 THR 14 -4.519 -10.876 1.287 118 H CYS 15 H CYS 15 -2.332 -9.463 1.592 119 HA CYS 15 HA CYS 15 -1.530 -10.794 -0.956 120 1HB CYS 15 1HB CYS 15 0.878 -10.276 -0.206 121 2HB CYS 15 2HB CYS 15 -0.059 -8.916 -0.826 122 H TYR 16 H TYR 16 -1.353 -12.958 -0.565 123 HA TYR 16 HA TYR 16 -1.490 -14.019 2.150 124 1HB TYR 16 1HB TYR 16 -1.829 -14.859 -0.601 125 2HB TYR 16 2HB TYR 16 -0.850 -16.035 0.272 126 HD1 TYR 16 HD1 TYR 16 -2.029 -15.566 3.047 127 HD2 TYR 16 HD2 TYR 16 -3.865 -16.095 -0.803 128 HE1 TYR 16 HE1 TYR 16 -4.070 -16.452 4.140 129 HE2 TYR 16 HE2 TYR 16 -5.903 -16.984 0.293 130 HH TYR 16 HH TYR 16 -6.846 -17.579 2.207 131 H LYS 17 H LYS 17 1.005 -13.716 -0.356 132 HA LYS 17 HA LYS 17 2.991 -15.325 1.000 133 1HB LYS 17 1HB LYS 17 3.429 -13.079 -0.982 134 2HB LYS 17 2HB LYS 17 4.407 -14.530 -0.762 135 1HG LYS 17 1HG LYS 17 1.724 -15.363 -1.259 136 2HG LYS 17 2HG LYS 17 2.149 -14.165 -2.481 137 1HD LYS 17 1HD LYS 17 4.005 -15.421 -3.235 138 2HD LYS 17 2HD LYS 17 4.020 -16.427 -1.786 139 1HE LYS 17 1HE LYS 17 2.918 -17.908 -3.169 140 2HE LYS 17 2HE LYS 17 1.503 -16.939 -2.711 141 1HZ LYS 17 1HZ LYS 17 3.263 -16.075 -4.914 142 2HZ LYS 17 2HZ LYS 17 2.037 -17.215 -5.202 143 3HZ LYS 17 3HZ LYS 17 1.643 -15.666 -4.625 144 H LEU 18 H LEU 18 2.843 -14.367 3.214 145 HA LEU 18 HA LEU 18 3.404 -11.628 3.802 146 1HB LEU 18 1HB LEU 18 3.558 -14.278 5.201 147 2HB LEU 18 2HB LEU 18 4.244 -12.862 5.998 148 HG LEU 18 HG LEU 18 1.404 -13.109 4.963 149 1HD1 LEU 18 1HD1 LEU 18 1.860 -14.412 7.022 150 2HD1 LEU 18 2HD1 LEU 18 2.497 -12.957 7.789 151 3HD1 LEU 18 3HD1 LEU 18 0.793 -13.045 7.343 152 1HD2 LEU 18 1HD2 LEU 18 3.070 -10.829 5.621 153 2HD2 LEU 18 2HD2 LEU 18 1.429 -10.854 4.973 154 3HD2 LEU 18 3HD2 LEU 18 1.691 -10.923 6.715 155 H GLY 19 H GLY 19 5.323 -10.516 3.658 156 1HA GLY 19 1HA GLY 19 7.806 -10.790 4.360 157 2HA GLY 19 2HA GLY 19 7.802 -12.110 3.192 158 H GLU 20 H GLU 20 9.558 -10.686 2.251 159 HA GLU 20 HA GLU 20 9.049 -8.143 1.078 160 1HB GLU 20 1HB GLU 20 11.043 -10.245 1.082 161 2HB GLU 20 2HB GLU 20 10.871 -9.571 -0.539 162 1HG GLU 20 1HG GLU 20 12.487 -8.187 0.507 163 2HG GLU 20 2HG GLU 20 10.987 -7.263 0.604 164 H ASN 21 H ASN 21 6.797 -8.539 0.202 165 HA ASN 21 HA ASN 21 6.391 -10.377 -2.005 166 1HB ASN 21 1HB ASN 21 4.833 -8.892 -0.298 167 2HB ASN 21 2HB ASN 21 4.680 -7.977 -1.799 168 1HD2 ASN 21 2HD2 ASN 21 3.334 -10.563 -0.120 169 2HD2 ASN 21 1HD2 ASN 21 2.619 -11.380 -1.425 170 H ASP 22 H ASP 22 8.079 -9.916 -3.513 171 HA ASP 22 HA ASP 22 9.109 -7.610 -4.539 172 1HB ASP 22 1HB ASP 22 9.130 -10.197 -5.242 173 2HB ASP 22 2HB ASP 22 8.087 -9.588 -6.526 174 H PHE 23 H PHE 23 6.117 -9.043 -5.916 175 HA PHE 23 HA PHE 23 5.360 -7.166 -7.758 176 1HB PHE 23 1HB PHE 23 4.155 -9.187 -6.209 177 2HB PHE 23 2HB PHE 23 3.112 -7.774 -6.032 178 HD1 PHE 23 HD1 PHE 23 4.812 -9.936 -8.548 179 HD2 PHE 23 HD2 PHE 23 1.716 -7.051 -7.810 180 HE1 PHE 23 HE1 PHE 23 3.912 -10.320 -10.827 181 HE2 PHE 23 HE2 PHE 23 0.815 -7.436 -10.089 182 HZ PHE 23 HZ PHE 23 1.912 -9.070 -11.597 183 H CYS 24 H CYS 24 4.174 -6.883 -4.376 184 HA CYS 24 HA CYS 24 3.365 -4.143 -4.679 185 1HB CYS 24 1HB CYS 24 2.966 -6.143 -2.888 186 2HB CYS 24 2HB CYS 24 4.147 -5.175 -2.005 187 H ASN 25 H ASN 25 6.366 -5.653 -3.506 188 HA ASN 25 HA ASN 25 7.662 -3.419 -2.383 189 1HB ASN 25 1HB ASN 25 8.247 -6.045 -3.151 190 2HB ASN 25 2HB ASN 25 9.378 -5.067 -4.086 191 1HD2 ASN 25 2HD2 ASN 25 9.293 -6.717 -1.276 192 2HD2 ASN 25 1HD2 ASN 25 10.283 -5.738 -0.306 193 H ARG 26 H ARG 26 8.314 -4.587 -5.702 194 HA ARG 26 HA ARG 26 9.611 -2.370 -6.748 195 1HB ARG 26 1HB ARG 26 9.313 -4.446 -7.957 196 2HB ARG 26 2HB ARG 26 7.561 -4.234 -7.983 197 1HG ARG 26 1HG ARG 26 8.407 -1.888 -9.118 198 2HG ARG 26 2HG ARG 26 9.628 -3.019 -9.700 199 1HD ARG 26 1HD ARG 26 7.830 -4.517 -10.538 200 2HD ARG 26 2HD ARG 26 6.619 -3.343 -9.989 201 HE ARG 26 HE ARG 26 8.430 -1.853 -11.508 202 1HH1 ARG 26 1HH1 ARG 26 6.446 -4.644 -11.974 203 2HH1 ARG 26 2HH1 ARG 26 6.182 -4.332 -13.657 204 1HH2 ARG 26 1HH2 ARG 26 8.093 -1.438 -13.698 205 2HH2 ARG 26 2HH2 ARG 26 7.116 -2.520 -14.634 206 H GLU 27 H GLU 27 6.068 -2.832 -6.501 207 HA GLU 27 HA GLU 27 5.304 -0.442 -7.864 208 1HB GLU 27 1HB GLU 27 4.046 -2.152 -5.708 209 2HB GLU 27 2HB GLU 27 3.186 -0.826 -6.490 210 1HG GLU 27 1HG GLU 27 3.840 -1.940 -8.717 211 2HG GLU 27 2HG GLU 27 4.249 -3.356 -7.749 212 H CYS 28 H CYS 28 5.210 -0.958 -4.306 213 HA CYS 28 HA CYS 28 5.123 1.925 -3.816 214 1HB CYS 28 1HB CYS 28 4.007 0.020 -2.522 215 2HB CYS 28 2HB CYS 28 5.602 -0.327 -1.852 216 H LYS 29 H LYS 29 7.654 0.243 -4.894 217 HA LYS 29 HA LYS 29 9.627 1.239 -2.897 218 1HB LYS 29 1HB LYS 29 9.770 -1.091 -3.606 219 2HB LYS 29 2HB LYS 29 9.815 -0.604 -5.302 220 1HG LYS 29 1HG LYS 29 11.859 0.807 -3.839 221 2HG LYS 29 2HG LYS 29 12.010 -0.926 -3.542 222 1HD LYS 29 1HD LYS 29 12.576 -1.383 -5.702 223 2HD LYS 29 2HD LYS 29 11.473 -0.171 -6.353 224 1HE LYS 29 1HE LYS 29 13.550 1.178 -4.888 225 2HE LYS 29 2HE LYS 29 14.290 0.061 -6.051 226 1HZ LYS 29 1HZ LYS 29 12.047 1.889 -6.716 227 2HZ LYS 29 2HZ LYS 29 13.676 2.257 -7.016 228 3HZ LYS 29 3HZ LYS 29 12.948 0.933 -7.794 229 H TRP 30 H TRP 30 8.143 2.361 -5.695 230 HA TRP 30 HA TRP 30 10.427 3.486 -7.066 231 1HB TRP 30 1HB TRP 30 8.562 4.869 -8.152 232 2HB TRP 30 2HB TRP 30 8.455 3.128 -8.308 233 HD1 TRP 30 HD1 TRP 30 5.848 3.891 -8.824 234 HE1 TRP 30 HE1 TRP 30 3.856 3.988 -7.205 235 HE3 TRP 30 HE3 TRP 30 8.311 4.127 -4.317 236 HZ2 TRP 30 HZ2 TRP 30 3.354 4.143 -4.416 237 HZ3 TRP 30 HZ3 TRP 30 7.031 4.252 -2.216 238 HH2 TRP 30 HH2 TRP 30 4.558 4.259 -2.255 239 H LYS 31 H LYS 31 9.368 6.241 -7.335 240 HA LYS 31 HA LYS 31 9.743 7.351 -4.597 241 1HB LYS 31 1HB LYS 31 11.388 8.270 -6.964 242 2HB LYS 31 2HB LYS 31 11.654 8.621 -5.258 243 1HG LYS 31 1HG LYS 31 12.092 6.188 -4.873 244 2HG LYS 31 2HG LYS 31 11.959 5.928 -6.614 245 1HD LYS 31 1HD LYS 31 13.798 7.544 -6.988 246 2HD LYS 31 2HD LYS 31 13.949 7.760 -5.243 247 1HE LYS 31 1HE LYS 31 14.152 5.015 -6.500 248 2HE LYS 31 2HE LYS 31 15.570 6.071 -6.331 249 1HZ LYS 31 1HZ LYS 31 14.905 6.372 -3.964 250 2HZ LYS 31 2HZ LYS 31 13.752 5.142 -4.176 251 3HZ LYS 31 3HZ LYS 31 15.403 4.792 -4.346 252 H HIS 32 H HIS 32 7.347 7.397 -6.064 253 HA HIS 32 HA HIS 32 7.223 10.253 -6.985 254 1HB HIS 32 1HB HIS 32 6.284 7.682 -8.099 255 2HB HIS 32 2HB HIS 32 5.086 8.975 -8.145 256 HD1 HIS 32 HD1 HIS 32 7.343 7.627 -10.365 257 HD2 HIS 32 HD2 HIS 32 6.857 11.533 -8.991 258 HE1 HIS 32 HE1 HIS 32 8.438 9.132 -12.083 259 H ILE 33 H ILE 33 6.144 7.931 -4.729 260 HA ILE 33 HA ILE 33 3.756 9.599 -4.025 261 HB ILE 33 HB ILE 33 4.462 6.685 -3.896 262 1HG1 ILE 33 1HG1 ILE 33 1.696 7.245 -4.289 263 2HG1 ILE 33 2HG1 ILE 33 2.610 8.403 -5.257 264 1HG2 ILE 33 1HG2 ILE 33 2.890 8.195 -1.862 265 2HG2 ILE 33 2HG2 ILE 33 2.207 6.671 -2.427 266 3HG2 ILE 33 3HG2 ILE 33 3.809 6.700 -1.689 267 1HD1 ILE 33 1HD1 ILE 33 4.001 6.099 -5.740 268 2HD1 ILE 33 2HD1 ILE 33 2.360 5.477 -5.565 269 3HD1 ILE 33 3HD1 ILE 33 2.710 6.711 -6.774 270 H GLY 34 H GLY 34 6.625 7.939 -2.700 271 1HA GLY 34 1HA GLY 34 7.797 9.439 -0.965 272 2HA GLY 34 2HA GLY 34 6.228 9.470 -0.161 273 H GLY 35 H GLY 35 5.600 6.684 -0.729 274 1HA GLY 35 1HA GLY 35 6.543 5.410 1.568 275 2HA GLY 35 2HA GLY 35 6.014 4.533 0.132 276 H SER 36 H SER 36 8.479 4.508 2.152 277 HA SER 36 HA SER 36 10.714 4.600 0.215 278 1HB SER 36 1HB SER 36 11.795 5.122 2.131 279 2HB SER 36 2HB SER 36 10.295 4.898 3.024 280 HG SER 36 HG SER 36 11.324 3.270 3.869 281 H TYR 37 H TYR 37 9.760 2.161 2.655 282 HA TYR 37 HA TYR 37 10.400 0.030 0.640 283 1HB TYR 37 1HB TYR 37 11.398 0.612 3.239 284 2HB TYR 37 2HB TYR 37 10.425 -0.851 3.388 285 HD1 TYR 37 HD1 TYR 37 12.527 0.451 0.565 286 HD2 TYR 37 HD2 TYR 37 11.882 -2.679 3.436 287 HE1 TYR 37 HE1 TYR 37 14.352 -0.874 -0.470 288 HE2 TYR 37 HE2 TYR 37 13.704 -4.005 2.402 289 HH TYR 37 HH TYR 37 15.692 -2.670 -0.217 290 H GLY 38 H GLY 38 8.650 -1.228 0.091 291 1HA GLY 38 1HA GLY 38 6.384 -1.369 2.034 292 2HA GLY 38 2HA GLY 38 6.093 -1.112 0.315 293 H TYR 39 H TYR 39 5.094 -3.323 1.861 294 HA TYR 39 HA TYR 39 5.742 -5.501 0.103 295 1HB TYR 39 1HB TYR 39 7.013 -6.879 1.740 296 2HB TYR 39 2HB TYR 39 7.869 -5.395 1.331 297 HD1 TYR 39 HD1 TYR 39 5.686 -6.987 3.903 298 HD2 TYR 39 HD2 TYR 39 8.364 -3.757 2.978 299 HE1 TYR 39 HE1 TYR 39 5.748 -6.351 6.301 300 HE2 TYR 39 HE2 TYR 39 8.426 -3.122 5.375 301 HH TYR 39 HH TYR 39 6.486 -4.881 7.796 302 H CYS 40 H CYS 40 5.198 -7.672 1.799 303 HA CYS 40 HA CYS 40 2.341 -7.187 2.389 304 1HB CYS 40 1HB CYS 40 3.329 -9.142 1.089 305 2HB CYS 40 2HB CYS 40 3.979 -9.726 2.620 306 H TYR 41 H TYR 41 1.827 -6.477 4.421 307 HA TYR 41 HA TYR 41 3.359 -7.611 6.741 308 1HB TYR 41 1HB TYR 41 4.053 -5.365 6.575 309 2HB TYR 41 2HB TYR 41 2.466 -4.818 6.037 310 HD1 TYR 41 HD1 TYR 41 0.603 -4.586 7.637 311 HD2 TYR 41 HD2 TYR 41 4.547 -5.672 8.930 312 HE1 TYR 41 HE1 TYR 41 -0.022 -4.055 9.977 313 HE2 TYR 41 HE2 TYR 41 3.925 -5.143 11.272 314 HH TYR 41 HH TYR 41 2.215 -4.674 12.657 315 H GLY 42 H GLY 42 1.922 -8.990 7.747 316 1HA GLY 42 1HA GLY 42 -0.041 -9.723 8.813 317 2HA GLY 42 2HA GLY 42 -0.498 -8.022 8.933 318 H PHE 43 H PHE 43 0.069 -10.069 6.073 319 HA PHE 43 HA PHE 43 -1.326 -10.534 4.228 320 1HB PHE 43 1HB PHE 43 -3.395 -10.090 6.407 321 2HB PHE 43 2HB PHE 43 -3.722 -10.849 4.850 322 HD1 PHE 43 HD1 PHE 43 -1.038 -12.319 4.605 323 HD2 PHE 43 HD2 PHE 43 -3.868 -11.978 7.821 324 HE1 PHE 43 HE1 PHE 43 -0.275 -14.496 5.507 325 HE2 PHE 43 HE2 PHE 43 -3.104 -14.158 8.722 326 HZ PHE 43 HZ PHE 43 -1.308 -15.417 7.565 327 H GLY 44 H GLY 44 -0.391 -8.096 3.889 328 1HA GLY 44 1HA GLY 44 -2.388 -6.669 2.461 329 2HA GLY 44 2HA GLY 44 -2.205 -5.898 4.037 330 H CYS 45 H CYS 45 -1.525 -4.580 1.623 331 HA CYS 45 HA CYS 45 1.437 -4.698 1.429 332 1HB CYS 45 1HB CYS 45 -0.878 -3.699 -0.144 333 2HB CYS 45 2HB CYS 45 0.615 -2.772 -0.298 334 H TYR 46 H TYR 46 2.282 -3.617 3.229 335 HA TYR 46 HA TYR 46 1.145 -0.960 3.958 336 1HB TYR 46 1HB TYR 46 1.711 -3.006 5.514 337 2HB TYR 46 2HB TYR 46 3.364 -2.402 5.388 338 HD1 TYR 46 HD1 TYR 46 -0.007 -0.767 5.659 339 HD2 TYR 46 HD2 TYR 46 3.961 -1.151 7.259 340 HE1 TYR 46 HE1 TYR 46 -0.516 0.982 7.343 341 HE2 TYR 46 HE2 TYR 46 3.451 0.597 8.942 342 HH TYR 46 HH TYR 46 0.549 2.505 8.787 343 H CYS 47 H CYS 47 2.479 0.914 3.978 344 HA CYS 47 HA CYS 47 5.172 0.640 2.681 345 1HB CYS 47 1HB CYS 47 2.827 2.448 2.066 346 2HB CYS 47 2HB CYS 47 4.462 2.851 1.542 347 H GLU 48 H GLU 48 6.762 1.816 3.738 348 HA GLU 48 HA GLU 48 5.886 3.531 6.027 349 1HB GLU 48 1HB GLU 48 8.642 2.454 5.380 350 2HB GLU 48 2HB GLU 48 8.038 2.999 6.944 351 1HG GLU 48 1HG GLU 48 6.545 1.121 7.115 352 2HG GLU 48 2HG GLU 48 6.858 0.649 5.445 353 H GLY 49 H GLY 49 5.584 5.607 5.084 354 1HA GLY 49 1HA GLY 49 7.591 7.419 4.820 355 2HA GLY 49 2HA GLY 49 7.618 6.654 3.234 356 H LEU 50 H LEU 50 4.501 6.338 3.751 357 HA LEU 50 HA LEU 50 3.552 8.272 2.009 358 1HB LEU 50 1HB LEU 50 2.216 7.194 4.507 359 2HB LEU 50 2HB LEU 50 1.376 7.908 3.135 360 HG LEU 50 HG LEU 50 1.214 5.754 2.431 361 1HD1 LEU 50 1HD1 LEU 50 2.936 6.832 0.901 362 2HD1 LEU 50 2HD1 LEU 50 4.167 5.968 1.823 363 3HD1 LEU 50 3HD1 LEU 50 2.944 5.068 0.927 364 1HD2 LEU 50 1HD2 LEU 50 2.921 5.371 4.671 365 2HD2 LEU 50 2HD2 LEU 50 1.894 4.183 3.868 366 3HD2 LEU 50 3HD2 LEU 50 3.561 4.411 3.337 367 HA PRO 51 HA PRO 51 4.634 11.921 4.521 368 1HB PRO 51 1HB PRO 51 3.627 13.484 2.315 369 2HB PRO 51 2HB PRO 51 5.306 13.261 2.814 370 1HG PRO 51 1HG PRO 51 3.999 12.169 0.505 371 2HG PRO 51 2HG PRO 51 5.676 11.945 1.011 372 1HD PRO 51 1HD PRO 51 3.551 10.004 1.074 373 2HD PRO 51 2HD PRO 51 5.228 9.799 1.628 374 H ASP 52 H ASP 52 3.183 13.969 4.967 375 HA ASP 52 HA ASP 52 0.595 13.081 5.891 376 1HB ASP 52 1HB ASP 52 1.647 15.902 5.538 377 2HB ASP 52 2HB ASP 52 0.461 15.345 6.718 378 H SER 53 H SER 53 1.671 14.332 2.853 379 HA SER 53 HA SER 53 -1.057 15.291 2.141 380 1HB SER 53 1HB SER 53 1.218 16.495 1.748 381 2HB SER 53 2HB SER 53 1.410 15.361 0.413 382 HG SER 53 HG SER 53 0.384 17.239 -0.302 383 H THR 54 H THR 54 0.548 12.361 2.054 384 HA THR 54 HA THR 54 -0.377 11.593 -0.656 385 HB THR 54 HB THR 54 1.072 10.093 1.557 386 HG1 THR 54 HG1 THR 54 1.817 11.529 -0.744 387 1HG2 THR 54 1HG2 THR 54 -0.289 8.657 -0.015 388 2HG2 THR 54 2HG2 THR 54 0.688 9.292 -1.339 389 3HG2 THR 54 3HG2 THR 54 1.445 8.344 -0.059 390 H GLN 55 H GLN 55 -2.171 10.341 -1.044 391 HA GLN 55 HA GLN 55 -4.091 9.931 1.142 392 1HB GLN 55 1HB GLN 55 -4.656 10.739 -1.161 393 2HB GLN 55 2HB GLN 55 -4.153 9.173 -1.798 394 1HG GLN 55 1HG GLN 55 -6.642 9.394 -1.414 395 2HG GLN 55 2HG GLN 55 -5.891 8.034 -0.580 396 1HE2 GLN 55 2HE2 GLN 55 -5.989 11.538 0.268 397 2HE2 GLN 55 1HE2 GLN 55 -6.681 11.299 1.799 398 H THR 56 H THR 56 -4.310 8.006 2.243 399 HA THR 56 HA THR 56 -3.144 5.542 0.991 400 HB THR 56 HB THR 56 -1.580 6.223 2.633 401 HG1 THR 56 HG1 THR 56 -3.212 4.694 4.306 402 1HG2 THR 56 1HG2 THR 56 -3.952 6.829 4.419 403 2HG2 THR 56 2HG2 THR 56 -2.261 6.986 4.891 404 3HG2 THR 56 3HG2 THR 56 -2.922 8.020 3.624 405 H TRP 57 H TRP 57 -3.929 3.578 2.487 406 HA TRP 57 HA TRP 57 -6.885 3.688 2.463 407 1HB TRP 57 1HB TRP 57 -5.278 1.887 1.479 408 2HB TRP 57 2HB TRP 57 -5.142 1.327 3.146 409 HD1 TRP 57 HD1 TRP 57 -7.591 1.570 0.255 410 HE1 TRP 57 HE1 TRP 57 -9.696 0.189 0.816 411 HE3 TRP 57 HE3 TRP 57 -6.629 0.434 5.141 412 HZ2 TRP 57 HZ2 TRP 57 -10.820 -1.214 3.040 413 HZ3 TRP 57 HZ3 TRP 57 -8.231 -0.923 6.456 414 HH2 TRP 57 HH2 TRP 57 -10.324 -1.748 5.413 415 HA PRO 58 HA PRO 58 -8.537 2.838 3.202 416 1HB PRO 58 1HB PRO 58 -10.463 3.983 4.928 417 2HB PRO 58 2HB PRO 58 -10.200 2.259 4.645 418 1HG PRO 58 1HG PRO 58 -9.619 3.798 7.028 419 2HG PRO 58 2HG PRO 58 -9.486 2.054 6.785 420 1HD PRO 58 1HD PRO 58 -7.347 4.000 6.940 421 2HD PRO 58 2HD PRO 58 -7.214 2.235 6.738 422 H LEU 59 H LEU 59 -10.194 4.621 2.417 423 HA LEU 59 HA LEU 59 -8.715 7.190 2.266 424 1HB LEU 59 1HB LEU 59 -10.459 5.584 0.612 425 2HB LEU 59 2HB LEU 59 -11.108 7.219 0.745 426 HG LEU 59 HG LEU 59 -8.659 7.977 0.281 427 1HD1 LEU 59 1HD1 LEU 59 -8.260 5.225 0.328 428 2HD1 LEU 59 2HD1 LEU 59 -8.283 5.608 -1.392 429 3HD1 LEU 59 3HD1 LEU 59 -7.138 6.418 -0.323 430 1HD2 LEU 59 1HD2 LEU 59 -10.709 8.099 -1.254 431 2HD2 LEU 59 2HD2 LEU 59 -9.139 8.090 -2.055 432 3HD2 LEU 59 3HD2 LEU 59 -10.109 6.618 -2.001 433 HA PRO 60 HA PRO 60 -11.372 9.606 4.807 434 1HB PRO 60 1HB PRO 60 -12.364 11.370 2.759 435 2HB PRO 60 2HB PRO 60 -11.089 11.679 3.940 436 1HG PRO 60 1HG PRO 60 -10.798 11.246 1.123 437 2HG PRO 60 2HG PRO 60 -9.525 11.527 2.314 438 1HD PRO 60 1HD PRO 60 -10.147 9.067 0.942 439 2HD PRO 60 2HD PRO 60 -8.872 9.349 2.152 440 H ASN 61 H ASN 61 -13.785 10.882 4.268 441 HA ASN 61 HA ASN 61 -15.776 8.966 4.562 442 1HB ASN 61 1HB ASN 61 -15.611 11.751 3.472 443 2HB ASN 61 2HB ASN 61 -17.137 10.887 3.283 444 1HD2 ASN 61 2HD2 ASN 61 -14.681 11.422 5.888 445 2HD2 ASN 61 1HD2 ASN 61 -15.829 11.637 7.120 446 H LYS 62 H LYS 62 -14.185 10.042 1.633 447 HA LYS 62 HA LYS 62 -16.033 8.583 -0.150 448 1HB LYS 62 1HB LYS 62 -13.539 10.266 -0.415 449 2HB LYS 62 2HB LYS 62 -14.152 9.356 -1.796 450 1HG LYS 62 1HG LYS 62 -15.599 11.036 -2.186 451 2HG LYS 62 2HG LYS 62 -16.399 10.638 -0.664 452 1HD LYS 62 1HD LYS 62 -15.505 12.427 0.405 453 2HD LYS 62 2HD LYS 62 -13.917 12.174 -0.317 454 1HE LYS 62 1HE LYS 62 -14.450 14.123 -1.431 455 2HE LYS 62 2HE LYS 62 -15.308 13.005 -2.510 456 1HZ LYS 62 1HZ LYS 62 -16.931 13.435 -0.280 457 2HZ LYS 62 2HZ LYS 62 -16.401 14.964 -0.800 458 3HZ LYS 62 3HZ LYS 62 -17.210 13.937 -1.879 459 H THR 63 H THR 63 -15.397 6.554 1.290 460 HA THR 63 HA THR 63 -12.816 5.348 1.038 461 HB THR 63 HB THR 63 -14.539 4.749 2.700 462 HG1 THR 63 HG1 THR 63 -13.474 2.956 2.663 463 1HG2 THR 63 1HG2 THR 63 -16.206 4.675 0.422 464 2HG2 THR 63 2HG2 THR 63 -16.139 3.022 1.029 465 3HG2 THR 63 3HG2 THR 63 -16.663 4.329 2.090 466 H CYS 64 H CYS 64 -13.264 2.815 0.073 467 HA CYS 64 HA CYS 64 -12.913 3.140 -2.771 468 1HB CYS 64 1HB CYS 64 -11.793 1.394 -1.570 469 2HB CYS 64 2HB CYS 64 -13.301 0.806 -0.882 Start of MODEL 22 1 1H LYS 1 1H LYS 1 5.259 5.219 11.402 2 2H LYS 1 2H LYS 1 6.558 6.210 10.936 3 3H LYS 1 3H LYS 1 5.151 6.906 11.580 4 HA LYS 1 HA LYS 1 4.034 6.823 9.632 5 1HB LYS 1 1HB LYS 1 6.986 6.583 9.046 6 2HB LYS 1 2HB LYS 1 5.822 6.822 7.742 7 1HG LYS 1 1HG LYS 1 5.206 8.942 8.497 8 2HG LYS 1 2HG LYS 1 5.717 8.610 10.152 9 1HD LYS 1 1HD LYS 1 7.453 9.977 9.438 10 2HD LYS 1 2HD LYS 1 8.104 8.388 9.035 11 1HE LYS 1 1HE LYS 1 6.987 8.722 6.720 12 2HE LYS 1 2HE LYS 1 6.877 10.434 7.179 13 1HZ LYS 1 1HZ LYS 1 9.360 8.812 7.339 14 2HZ LYS 1 2HZ LYS 1 8.994 9.869 6.061 15 3HZ LYS 1 3HZ LYS 1 9.215 10.476 7.633 16 H ASP 2 H ASP 2 2.923 4.728 9.948 17 HA ASP 2 HA ASP 2 3.856 2.678 7.976 18 1HB ASP 2 1HB ASP 2 2.719 1.944 10.678 19 2HB ASP 2 2HB ASP 2 3.671 0.945 9.583 20 H GLY 3 H GLY 3 2.168 2.211 6.617 21 1HA GLY 3 1HA GLY 3 -0.535 1.830 7.587 22 2HA GLY 3 2HA GLY 3 -0.372 3.350 6.704 23 H TYR 4 H TYR 4 -2.043 1.820 5.443 24 HA TYR 4 HA TYR 4 -0.619 0.024 3.551 25 1HB TYR 4 1HB TYR 4 -3.533 0.687 4.073 26 2HB TYR 4 2HB TYR 4 -2.986 -0.497 2.884 27 HD1 TYR 4 HD1 TYR 4 -2.981 0.348 6.503 28 HD2 TYR 4 HD2 TYR 4 -2.283 -2.680 3.539 29 HE1 TYR 4 HE1 TYR 4 -2.802 -1.359 8.291 30 HE2 TYR 4 HE2 TYR 4 -2.104 -4.390 5.328 31 HH TYR 4 HH TYR 4 -2.039 -3.496 8.721 32 H LEU 5 H LEU 5 -1.060 0.308 1.205 33 HA LEU 5 HA LEU 5 -1.413 3.200 0.502 34 1HB LEU 5 1HB LEU 5 0.534 1.121 -0.172 35 2HB LEU 5 2HB LEU 5 -0.121 1.920 -1.602 36 HG LEU 5 HG LEU 5 0.551 3.752 0.606 37 1HD1 LEU 5 1HD1 LEU 5 2.352 1.751 0.344 38 2HD1 LEU 5 2HD1 LEU 5 2.922 2.832 -0.926 39 3HD1 LEU 5 3HD1 LEU 5 2.812 3.407 0.736 40 1HD2 LEU 5 1HD2 LEU 5 -0.071 4.092 -1.960 41 2HD2 LEU 5 2HD2 LEU 5 1.058 5.179 -1.152 42 3HD2 LEU 5 3HD2 LEU 5 1.667 3.874 -2.172 43 H VAL 6 H VAL 6 -2.839 3.684 -1.165 44 HA VAL 6 HA VAL 6 -4.746 1.568 -1.934 45 HB VAL 6 HB VAL 6 -6.058 3.448 -2.694 46 1HG1 VAL 6 1HG1 VAL 6 -4.971 3.260 -0.098 47 2HG1 VAL 6 2HG1 VAL 6 -4.954 4.976 -0.504 48 3HG1 VAL 6 3HG1 VAL 6 -6.465 4.068 -0.571 49 1HG2 VAL 6 1HG2 VAL 6 -3.415 4.917 -2.556 50 2HG2 VAL 6 2HG2 VAL 6 -4.471 4.717 -3.954 51 3HG2 VAL 6 3HG2 VAL 6 -4.958 5.767 -2.624 52 H GLU 7 H GLU 7 -5.481 2.324 -4.462 53 HA GLU 7 HA GLU 7 -2.968 2.048 -6.081 54 1HB GLU 7 1HB GLU 7 -4.825 0.084 -5.552 55 2HB GLU 7 2HB GLU 7 -5.401 0.726 -7.090 56 1HG GLU 7 1HG GLU 7 -2.668 0.578 -7.481 57 2HG GLU 7 2HG GLU 7 -3.002 -0.861 -6.515 58 H LYS 8 H LYS 8 -3.502 2.536 -8.496 59 HA LYS 8 HA LYS 8 -4.379 5.161 -8.867 60 1HB LYS 8 1HB LYS 8 -4.514 4.542 -11.219 61 2HB LYS 8 2HB LYS 8 -3.193 3.631 -10.487 62 1HG LYS 8 1HG LYS 8 -4.740 1.704 -10.170 63 2HG LYS 8 2HG LYS 8 -6.001 2.612 -11.002 64 1HD LYS 8 1HD LYS 8 -4.309 2.846 -12.935 65 2HD LYS 8 2HD LYS 8 -3.404 1.564 -12.127 66 1HE LYS 8 1HE LYS 8 -6.189 0.819 -12.243 67 2HE LYS 8 2HE LYS 8 -5.614 1.241 -13.868 68 1HZ LYS 8 1HZ LYS 8 -3.784 -0.270 -12.181 69 2HZ LYS 8 2HZ LYS 8 -5.133 -1.117 -12.763 70 3HZ LYS 8 3HZ LYS 8 -4.060 -0.382 -13.854 71 H THR 9 H THR 9 -6.298 2.178 -8.840 72 HA THR 9 HA THR 9 -8.796 3.460 -9.602 73 HB THR 9 HB THR 9 -9.696 1.233 -8.959 74 HG1 THR 9 HG1 THR 9 -7.699 -0.190 -8.376 75 1HG2 THR 9 1HG2 THR 9 -7.922 1.810 -10.997 76 2HG2 THR 9 2HG2 THR 9 -7.215 0.372 -10.261 77 3HG2 THR 9 3HG2 THR 9 -8.872 0.330 -10.863 78 H GLY 10 H GLY 10 -7.021 3.031 -6.638 79 1HA GLY 10 1HA GLY 10 -7.546 4.402 -4.687 80 2HA GLY 10 2HA GLY 10 -9.246 4.353 -5.161 81 H CYS 11 H CYS 11 -8.349 1.318 -5.749 82 HA CYS 11 HA CYS 11 -9.254 0.376 -3.068 83 1HB CYS 11 1HB CYS 11 -9.310 -0.588 -5.906 84 2HB CYS 11 2HB CYS 11 -9.383 -1.789 -4.617 85 H LYS 12 H LYS 12 -7.848 -0.751 -1.753 86 HA LYS 12 HA LYS 12 -5.067 -0.817 -2.099 87 1HB LYS 12 1HB LYS 12 -5.270 -2.733 -0.373 88 2HB LYS 12 2HB LYS 12 -5.975 -1.179 0.057 89 1HG LYS 12 1HG LYS 12 -7.443 -3.186 0.540 90 2HG LYS 12 2HG LYS 12 -8.198 -1.953 -0.461 91 1HD LYS 12 1HD LYS 12 -7.973 -3.240 -2.425 92 2HD LYS 12 2HD LYS 12 -6.740 -4.277 -1.707 93 1HE LYS 12 1HE LYS 12 -8.336 -5.719 -1.003 94 2HE LYS 12 2HE LYS 12 -9.149 -4.414 -0.117 95 1HZ LYS 12 1HZ LYS 12 -9.356 -4.813 -3.053 96 2HZ LYS 12 2HZ LYS 12 -10.515 -5.363 -1.938 97 3HZ LYS 12 3HZ LYS 12 -10.227 -3.700 -2.108 98 H LYS 13 H LYS 13 -4.039 -3.311 -1.856 99 HA LYS 13 HA LYS 13 -5.019 -4.904 -4.189 100 1HB LYS 13 1HB LYS 13 -3.154 -3.148 -4.649 101 2HB LYS 13 2HB LYS 13 -2.103 -4.254 -3.767 102 1HG LYS 13 1HG LYS 13 -1.834 -5.022 -5.952 103 2HG LYS 13 2HG LYS 13 -3.139 -6.061 -5.377 104 1HD LYS 13 1HD LYS 13 -4.613 -5.181 -6.843 105 2HD LYS 13 2HD LYS 13 -4.139 -3.530 -6.433 106 1HE LYS 13 1HE LYS 13 -2.978 -3.380 -8.371 107 2HE LYS 13 2HE LYS 13 -1.989 -4.775 -7.893 108 1HZ LYS 13 1HZ LYS 13 -3.833 -6.225 -8.580 109 2HZ LYS 13 2HZ LYS 13 -4.679 -4.867 -9.151 110 3HZ LYS 13 3HZ LYS 13 -3.215 -5.320 -9.879 111 H THR 14 H THR 14 -5.710 -6.428 -2.485 112 HA THR 14 HA THR 14 -3.904 -7.544 -0.538 113 HB THR 14 HB THR 14 -6.495 -8.422 -1.840 114 HG1 THR 14 HG1 THR 14 -5.830 -6.763 0.127 115 1HG2 THR 14 1HG2 THR 14 -4.742 -9.835 0.137 116 2HG2 THR 14 2HG2 THR 14 -6.493 -9.976 0.290 117 3HG2 THR 14 3HG2 THR 14 -5.691 -10.502 -1.191 118 H CYS 15 H CYS 15 -3.026 -9.785 -0.602 119 HA CYS 15 HA CYS 15 -2.594 -10.865 -3.362 120 1HB CYS 15 1HB CYS 15 -0.202 -11.043 -2.859 121 2HB CYS 15 2HB CYS 15 -0.725 -9.376 -2.628 122 H TYR 16 H TYR 16 -2.391 -13.154 -3.416 123 HA TYR 16 HA TYR 16 -3.419 -14.588 -1.075 124 1HB TYR 16 1HB TYR 16 -2.394 -15.549 -3.765 125 2HB TYR 16 2HB TYR 16 -3.392 -16.477 -2.646 126 HD1 TYR 16 HD1 TYR 16 -5.478 -14.827 -1.742 127 HD2 TYR 16 HD2 TYR 16 -3.597 -14.796 -5.604 128 HE1 TYR 16 HE1 TYR 16 -7.522 -13.827 -2.728 129 HE2 TYR 16 HE2 TYR 16 -5.642 -13.796 -6.591 130 HH TYR 16 HH TYR 16 -8.326 -12.739 -4.570 131 H LYS 17 H LYS 17 -0.427 -13.421 -1.584 132 HA LYS 17 HA LYS 17 0.855 -15.722 -0.170 133 1HB LYS 17 1HB LYS 17 1.901 -14.196 -2.580 134 2HB LYS 17 2HB LYS 17 2.830 -15.388 -1.669 135 1HG LYS 17 1HG LYS 17 1.102 -17.101 -2.180 136 2HG LYS 17 2HG LYS 17 0.229 -15.907 -3.143 137 1HD LYS 17 1HD LYS 17 2.542 -15.628 -4.369 138 2HD LYS 17 2HD LYS 17 2.863 -17.230 -3.706 139 1HE LYS 17 1HE LYS 17 0.190 -17.001 -4.918 140 2HE LYS 17 2HE LYS 17 1.519 -16.774 -6.073 141 1HZ LYS 17 1HZ LYS 17 1.953 -18.863 -4.121 142 2HZ LYS 17 2HZ LYS 17 0.679 -19.174 -5.200 143 3HZ LYS 17 3HZ LYS 17 2.236 -18.867 -5.797 144 H LEU 18 H LEU 18 0.986 -14.599 1.797 145 HA LEU 18 HA LEU 18 1.708 -11.822 2.052 146 1HB LEU 18 1HB LEU 18 1.861 -14.155 3.988 147 2HB LEU 18 2HB LEU 18 1.888 -12.450 4.442 148 HG LEU 18 HG LEU 18 -0.373 -13.708 2.868 149 1HD1 LEU 18 1HD1 LEU 18 -0.039 -13.284 5.849 150 2HD1 LEU 18 2HD1 LEU 18 -1.601 -13.573 5.079 151 3HD1 LEU 18 3HD1 LEU 18 -0.342 -14.807 5.011 152 1HD2 LEU 18 1HD2 LEU 18 0.352 -11.043 3.378 153 2HD2 LEU 18 2HD2 LEU 18 -1.211 -11.610 2.792 154 3HD2 LEU 18 3HD2 LEU 18 -0.947 -11.383 4.520 155 H GLY 19 H GLY 19 3.719 -11.318 3.561 156 1HA GLY 19 1HA GLY 19 6.051 -11.563 4.011 157 2HA GLY 19 2HA GLY 19 6.070 -12.991 2.986 158 H GLU 20 H GLU 20 8.055 -11.940 2.136 159 HA GLU 20 HA GLU 20 8.221 -9.491 0.777 160 1HB GLU 20 1HB GLU 20 9.422 -12.147 -0.073 161 2HB GLU 20 2HB GLU 20 10.077 -10.543 -0.397 162 1HG GLU 20 1HG GLU 20 9.883 -11.972 2.259 163 2HG GLU 20 2HG GLU 20 11.321 -11.342 1.462 164 H ASN 21 H ASN 21 6.108 -9.173 -0.259 165 HA ASN 21 HA ASN 21 6.078 -9.986 -3.042 166 1HB ASN 21 1HB ASN 21 5.328 -12.051 -1.831 167 2HB ASN 21 2HB ASN 21 3.968 -11.131 -1.188 168 1HD2 ASN 21 2HD2 ASN 21 2.160 -11.837 -2.338 169 2HD2 ASN 21 1HD2 ASN 21 2.077 -11.961 -4.028 170 H ASP 22 H ASP 22 6.038 -7.463 -1.995 171 HA ASP 22 HA ASP 22 3.197 -6.574 -2.154 172 1HB ASP 22 1HB ASP 22 4.582 -6.234 -0.095 173 2HB ASP 22 2HB ASP 22 5.562 -5.122 -1.036 174 H PHE 23 H PHE 23 3.203 -6.569 -4.519 175 HA PHE 23 HA PHE 23 4.986 -5.197 -6.199 176 1HB PHE 23 1HB PHE 23 2.528 -6.385 -6.404 177 2HB PHE 23 2HB PHE 23 2.085 -4.689 -6.603 178 HD1 PHE 23 HD1 PHE 23 5.150 -6.594 -7.623 179 HD2 PHE 23 HD2 PHE 23 1.751 -4.290 -8.886 180 HE1 PHE 23 HE1 PHE 23 5.987 -6.637 -9.958 181 HE2 PHE 23 HE2 PHE 23 2.586 -4.335 -11.221 182 HZ PHE 23 HZ PHE 23 4.706 -5.509 -11.757 183 H CYS 24 H CYS 24 2.781 -4.055 -3.777 184 HA CYS 24 HA CYS 24 2.650 -1.270 -4.502 185 1HB CYS 24 1HB CYS 24 2.292 -2.872 -1.952 186 2HB CYS 24 2HB CYS 24 1.943 -1.146 -2.056 187 H ASN 25 H ASN 25 4.695 -3.130 -2.184 188 HA ASN 25 HA ASN 25 6.198 -0.861 -1.257 189 1HB ASN 25 1HB ASN 25 7.356 -2.461 -0.092 190 2HB ASN 25 2HB ASN 25 6.041 -3.491 -0.624 191 1HD2 ASN 25 2HD2 ASN 25 6.485 -4.866 -2.585 192 2HD2 ASN 25 1HD2 ASN 25 8.072 -5.306 -2.954 193 H ARG 26 H ARG 26 6.636 -3.113 -3.941 194 HA ARG 26 HA ARG 26 9.140 -2.268 -4.938 195 1HB ARG 26 1HB ARG 26 6.989 -3.874 -5.712 196 2HB ARG 26 2HB ARG 26 7.117 -2.681 -7.007 197 1HG ARG 26 1HG ARG 26 9.754 -3.536 -6.248 198 2HG ARG 26 2HG ARG 26 8.759 -4.953 -6.590 199 1HD ARG 26 1HD ARG 26 8.020 -3.698 -8.723 200 2HD ARG 26 2HD ARG 26 9.407 -2.636 -8.420 201 HE ARG 26 HE ARG 26 10.396 -5.237 -8.120 202 1HH1 ARG 26 1HH1 ARG 26 8.785 -3.387 -10.553 203 2HH1 ARG 26 2HH1 ARG 26 9.518 -4.242 -11.868 204 1HH2 ARG 26 1HH2 ARG 26 11.355 -6.356 -9.827 205 2HH2 ARG 26 2HH2 ARG 26 10.973 -5.919 -11.458 206 H GLU 27 H GLU 27 5.904 -0.942 -5.746 207 HA GLU 27 HA GLU 27 6.965 1.264 -7.313 208 1HB GLU 27 1HB GLU 27 4.335 0.370 -6.181 209 2HB GLU 27 2HB GLU 27 4.470 2.021 -6.786 210 1HG GLU 27 1HG GLU 27 4.999 1.299 -8.975 211 2HG GLU 27 2HG GLU 27 5.393 -0.333 -8.431 212 H CYS 28 H CYS 28 5.916 0.832 -3.950 213 HA CYS 28 HA CYS 28 5.725 3.408 -2.947 214 1HB CYS 28 1HB CYS 28 6.139 0.800 -2.023 215 2HB CYS 28 2HB CYS 28 7.479 1.716 -1.339 216 H LYS 29 H LYS 29 8.797 1.574 -3.032 217 HA LYS 29 HA LYS 29 10.521 3.782 -2.487 218 1HB LYS 29 1HB LYS 29 10.639 1.002 -3.025 219 2HB LYS 29 2HB LYS 29 11.710 1.771 -4.195 220 1HG LYS 29 1HG LYS 29 12.916 2.911 -2.417 221 2HG LYS 29 2HG LYS 29 11.787 2.293 -1.210 222 1HD LYS 29 1HD LYS 29 12.932 0.173 -2.874 223 2HD LYS 29 2HD LYS 29 14.157 1.069 -1.975 224 1HE LYS 29 1HE LYS 29 11.887 0.564 -0.258 225 2HE LYS 29 2HE LYS 29 12.472 -0.958 -0.958 226 1HZ LYS 29 1HZ LYS 29 14.782 0.033 -0.470 227 2HZ LYS 29 2HZ LYS 29 13.958 1.044 0.619 228 3HZ LYS 29 3HZ LYS 29 13.905 -0.642 0.816 229 H TRP 30 H TRP 30 9.566 2.270 -5.579 230 HA TRP 30 HA TRP 30 11.074 3.886 -7.346 231 1HB TRP 30 1HB TRP 30 10.047 1.993 -8.253 232 2HB TRP 30 2HB TRP 30 8.528 2.296 -7.421 233 HD1 TRP 30 HD1 TRP 30 6.703 3.004 -8.989 234 HE1 TRP 30 HE1 TRP 30 6.541 4.317 -11.200 235 HE3 TRP 30 HE3 TRP 30 11.627 4.137 -9.687 236 HZ2 TRP 30 HZ2 TRP 30 8.282 5.673 -13.029 237 HZ3 TRP 30 HZ3 TRP 30 12.351 5.438 -11.668 238 HH2 TRP 30 HH2 TRP 30 10.687 6.205 -13.341 239 H LYS 31 H LYS 31 7.703 4.365 -6.199 240 HA LYS 31 HA LYS 31 7.525 6.988 -7.495 241 1HB LYS 31 1HB LYS 31 5.791 5.009 -6.605 242 2HB LYS 31 2HB LYS 31 5.543 6.317 -5.446 243 1HG LYS 31 1HG LYS 31 5.745 7.289 -8.194 244 2HG LYS 31 2HG LYS 31 4.406 6.162 -7.976 245 1HD LYS 31 1HD LYS 31 4.110 7.653 -5.740 246 2HD LYS 31 2HD LYS 31 4.814 8.863 -6.815 247 1HE LYS 31 1HE LYS 31 2.987 8.864 -8.233 248 2HE LYS 31 2HE LYS 31 2.606 7.162 -7.910 249 1HZ LYS 31 1HZ LYS 31 2.170 7.959 -5.539 250 2HZ LYS 31 2HZ LYS 31 2.092 9.520 -6.201 251 3HZ LYS 31 3HZ LYS 31 0.998 8.323 -6.708 252 H HIS 32 H HIS 32 6.844 8.921 -6.099 253 HA HIS 32 HA HIS 32 8.786 9.196 -3.887 254 1HB HIS 32 1HB HIS 32 7.542 10.834 -5.889 255 2HB HIS 32 2HB HIS 32 7.208 11.532 -4.304 256 HD1 HIS 32 HD1 HIS 32 9.641 11.765 -6.841 257 HD2 HIS 32 HD2 HIS 32 9.891 11.387 -2.695 258 HE1 HIS 32 HE1 HIS 32 11.965 12.531 -6.188 259 H ILE 33 H ILE 33 7.112 7.481 -2.823 260 HA ILE 33 HA ILE 33 4.932 8.971 -1.426 261 HB ILE 33 HB ILE 33 5.603 6.028 -1.749 262 1HG1 ILE 33 1HG1 ILE 33 4.792 6.952 -3.814 263 2HG1 ILE 33 2HG1 ILE 33 3.431 6.111 -3.073 264 1HG2 ILE 33 1HG2 ILE 33 4.343 6.903 0.405 265 2HG2 ILE 33 2HG2 ILE 33 2.983 7.056 -0.706 266 3HG2 ILE 33 3HG2 ILE 33 3.745 5.485 -0.455 267 1HD1 ILE 33 1HD1 ILE 33 3.113 8.565 -1.966 268 2HD1 ILE 33 2HD1 ILE 33 3.849 9.017 -3.503 269 3HD1 ILE 33 3HD1 ILE 33 2.352 8.088 -3.484 270 H GLY 34 H GLY 34 8.098 7.705 -0.988 271 1HA GLY 34 1HA GLY 34 9.467 8.121 0.931 272 2HA GLY 34 2HA GLY 34 8.010 8.443 1.871 273 H GLY 35 H GLY 35 7.587 5.648 0.050 274 1HA GLY 35 1HA GLY 35 7.644 3.985 2.433 275 2HA GLY 35 2HA GLY 35 7.280 3.434 0.800 276 H SER 36 H SER 36 9.869 4.035 3.102 277 HA SER 36 HA SER 36 12.042 3.277 1.337 278 1HB SER 36 1HB SER 36 13.335 3.548 3.283 279 2HB SER 36 2HB SER 36 11.956 4.595 3.602 280 HG SER 36 HG SER 36 11.012 2.749 4.689 281 H TYR 37 H TYR 37 9.627 1.526 3.073 282 HA TYR 37 HA TYR 37 10.595 -1.029 2.055 283 1HB TYR 37 1HB TYR 37 12.112 -0.556 3.975 284 2HB TYR 37 2HB TYR 37 10.701 -0.474 5.034 285 HD1 TYR 37 HD1 TYR 37 9.208 -2.500 5.258 286 HD2 TYR 37 HD2 TYR 37 13.036 -2.646 3.316 287 HE1 TYR 37 HE1 TYR 37 9.231 -4.971 5.491 288 HE2 TYR 37 HE2 TYR 37 13.060 -5.117 3.547 289 HH TYR 37 HH TYR 37 12.043 -6.887 4.448 290 H GLY 38 H GLY 38 8.705 -2.061 1.591 291 1HA GLY 38 1HA GLY 38 6.533 -2.052 3.608 292 2HA GLY 38 2HA GLY 38 6.139 -1.472 1.989 293 H TYR 39 H TYR 39 4.976 -3.825 3.202 294 HA TYR 39 HA TYR 39 5.750 -5.781 1.118 295 1HB TYR 39 1HB TYR 39 5.967 -7.552 2.907 296 2HB TYR 39 2HB TYR 39 7.223 -6.314 2.974 297 HD1 TYR 39 HD1 TYR 39 6.961 -4.383 4.595 298 HD2 TYR 39 HD2 TYR 39 4.471 -7.882 4.725 299 HE1 TYR 39 HE1 TYR 39 6.284 -3.814 6.912 300 HE2 TYR 39 HE2 TYR 39 3.796 -7.311 7.043 301 HH TYR 39 HH TYR 39 4.981 -4.341 8.623 302 H CYS 40 H CYS 40 4.131 -7.646 1.076 303 HA CYS 40 HA CYS 40 1.424 -6.621 1.367 304 1HB CYS 40 1HB CYS 40 2.574 -8.405 -0.245 305 2HB CYS 40 2HB CYS 40 2.063 -9.530 1.015 306 H TYR 41 H TYR 41 0.585 -6.403 3.418 307 HA TYR 41 HA TYR 41 1.028 -8.665 5.346 308 1HB TYR 41 1HB TYR 41 2.216 -6.589 5.927 309 2HB TYR 41 2HB TYR 41 0.707 -5.683 5.813 310 HD1 TYR 41 HD1 TYR 41 1.157 -9.096 7.223 311 HD2 TYR 41 HD2 TYR 41 0.428 -4.947 8.060 312 HE1 TYR 41 HE1 TYR 41 0.635 -9.663 9.579 313 HE2 TYR 41 HE2 TYR 41 -0.091 -5.514 10.417 314 HH TYR 41 HH TYR 41 0.077 -8.885 11.575 315 H GLY 42 H GLY 42 -0.793 -9.276 6.616 316 1HA GLY 42 1HA GLY 42 -3.082 -9.757 6.867 317 2HA GLY 42 2HA GLY 42 -3.246 -8.001 6.914 318 H PHE 43 H PHE 43 -2.178 -10.009 4.184 319 HA PHE 43 HA PHE 43 -3.040 -10.148 1.988 320 1HB PHE 43 1HB PHE 43 -5.456 -9.971 3.792 321 2HB PHE 43 2HB PHE 43 -5.638 -10.153 2.049 322 HD1 PHE 43 HD1 PHE 43 -3.303 -11.861 1.411 323 HD2 PHE 43 HD2 PHE 43 -6.104 -12.081 4.655 324 HE1 PHE 43 HE1 PHE 43 -2.876 -14.292 1.608 325 HE2 PHE 43 HE2 PHE 43 -5.676 -14.517 4.856 326 HZ PHE 43 HZ PHE 43 -4.062 -15.622 3.330 327 H GLY 44 H GLY 44 -1.994 -7.711 2.322 328 1HA GLY 44 1HA GLY 44 -3.596 -6.014 0.630 329 2HA GLY 44 2HA GLY 44 -3.598 -5.421 2.290 330 H CYS 45 H CYS 45 -2.467 -3.613 0.871 331 HA CYS 45 HA CYS 45 0.446 -4.174 0.572 332 1HB CYS 45 1HB CYS 45 -1.497 -2.077 -0.393 333 2HB CYS 45 2HB CYS 45 0.243 -1.835 -0.526 334 H TYR 46 H TYR 46 1.820 -3.447 2.155 335 HA TYR 46 HA TYR 46 0.886 -1.181 3.881 336 1HB TYR 46 1HB TYR 46 0.767 -3.554 4.837 337 2HB TYR 46 2HB TYR 46 2.531 -3.556 4.782 338 HD1 TYR 46 HD1 TYR 46 -0.405 -1.679 6.117 339 HD2 TYR 46 HD2 TYR 46 3.800 -2.481 6.463 340 HE1 TYR 46 HE1 TYR 46 -0.342 -0.405 8.242 341 HE2 TYR 46 HE2 TYR 46 3.867 -1.203 8.589 342 HH TYR 46 HH TYR 46 0.972 0.456 9.826 343 H CYS 47 H CYS 47 2.299 0.505 3.713 344 HA CYS 47 HA CYS 47 5.165 -0.101 3.050 345 1HB CYS 47 1HB CYS 47 3.140 1.803 2.045 346 2HB CYS 47 2HB CYS 47 4.711 2.532 2.370 347 H GLU 48 H GLU 48 6.690 0.756 4.479 348 HA GLU 48 HA GLU 48 5.605 2.252 6.828 349 1HB GLU 48 1HB GLU 48 7.186 -0.013 6.556 350 2HB GLU 48 2HB GLU 48 8.356 1.249 6.939 351 1HG GLU 48 1HG GLU 48 6.369 1.846 8.708 352 2HG GLU 48 2HG GLU 48 6.217 0.091 8.620 353 H GLY 49 H GLY 49 5.669 4.282 5.475 354 1HA GLY 49 1HA GLY 49 7.826 5.944 6.101 355 2HA GLY 49 2HA GLY 49 8.183 5.297 4.504 356 H LEU 50 H LEU 50 4.841 5.883 5.474 357 HA LEU 50 HA LEU 50 4.520 7.726 3.225 358 1HB LEU 50 1HB LEU 50 2.559 6.999 5.412 359 2HB LEU 50 2HB LEU 50 2.187 7.541 3.780 360 HG LEU 50 HG LEU 50 1.915 5.313 3.397 361 1HD1 LEU 50 1HD1 LEU 50 4.240 6.096 2.375 362 2HD1 LEU 50 2HD1 LEU 50 4.866 4.880 3.487 363 3HD1 LEU 50 3HD1 LEU 50 3.704 4.422 2.244 364 1HD2 LEU 50 1HD2 LEU 50 2.838 5.140 6.016 365 2HD2 LEU 50 2HD2 LEU 50 2.164 3.824 5.057 366 3HD2 LEU 50 3HD2 LEU 50 3.905 4.077 5.105 367 HA PRO 51 HA PRO 51 5.669 11.258 5.796 368 1HB PRO 51 1HB PRO 51 4.404 12.906 3.771 369 2HB PRO 51 2HB PRO 51 6.123 12.731 4.134 370 1HG PRO 51 1HG PRO 51 4.696 11.681 1.881 371 2HG PRO 51 2HG PRO 51 6.409 11.484 2.266 372 1HD PRO 51 1HD PRO 51 4.365 9.473 2.368 373 2HD PRO 51 2HD PRO 51 6.068 9.310 2.860 374 H ASP 52 H ASP 52 4.310 13.248 6.570 375 HA ASP 52 HA ASP 52 1.877 12.321 7.768 376 1HB ASP 52 1HB ASP 52 3.584 14.174 8.415 377 2HB ASP 52 2HB ASP 52 2.635 15.208 7.349 378 H SER 53 H SER 53 2.509 14.293 4.878 379 HA SER 53 HA SER 53 -0.357 14.817 4.451 380 1HB SER 53 1HB SER 53 0.438 16.352 2.911 381 2HB SER 53 2HB SER 53 1.863 16.201 3.935 382 HG SER 53 HG SER 53 2.209 15.954 1.613 383 H THR 54 H THR 54 1.126 12.017 4.217 384 HA THR 54 HA THR 54 0.334 11.329 1.427 385 HB THR 54 HB THR 54 1.896 9.973 3.639 386 HG1 THR 54 HG1 THR 54 2.768 11.692 2.230 387 1HG2 THR 54 1HG2 THR 54 1.160 8.913 0.895 388 2HG2 THR 54 2HG2 THR 54 2.341 8.174 1.977 389 3HG2 THR 54 3HG2 THR 54 0.642 8.248 2.445 390 H GLN 55 H GLN 55 -1.497 10.120 1.028 391 HA GLN 55 HA GLN 55 -3.292 9.486 3.274 392 1HB GLN 55 1HB GLN 55 -4.033 10.497 1.121 393 2HB GLN 55 2HB GLN 55 -3.521 9.033 0.279 394 1HG GLN 55 1HG GLN 55 -5.963 9.032 0.775 395 2HG GLN 55 2HG GLN 55 -5.118 7.695 1.556 396 1HE2 GLN 55 2HE2 GLN 55 -5.253 11.147 2.565 397 2HE2 GLN 55 1HE2 GLN 55 -5.956 10.831 4.078 398 H THR 56 H THR 56 -3.711 7.411 4.037 399 HA THR 56 HA THR 56 -2.269 5.148 2.687 400 HB THR 56 HB THR 56 -2.611 4.622 5.457 401 HG1 THR 56 HG1 THR 56 -2.614 6.559 6.244 402 1HG2 THR 56 1HG2 THR 56 -0.431 5.051 3.508 403 2HG2 THR 56 2HG2 THR 56 0.011 5.303 5.195 404 3HG2 THR 56 3HG2 THR 56 -0.655 3.754 4.681 405 H TRP 57 H TRP 57 -3.514 3.349 2.298 406 HA TRP 57 HA TRP 57 -6.337 3.388 2.409 407 1HB TRP 57 1HB TRP 57 -4.609 1.915 1.136 408 2HB TRP 57 2HB TRP 57 -4.653 0.892 2.567 409 HD1 TRP 57 HD1 TRP 57 -6.770 2.017 -0.384 410 HE1 TRP 57 HE1 TRP 57 -8.876 0.534 -0.516 411 HE3 TRP 57 HE3 TRP 57 -6.319 -0.552 4.007 412 HZ2 TRP 57 HZ2 TRP 57 -10.198 -1.473 1.038 413 HZ3 TRP 57 HZ3 TRP 57 -8.013 -2.240 4.655 414 HH2 TRP 57 HH2 TRP 57 -9.950 -2.703 3.178 415 HA PRO 58 HA PRO 58 -8.052 2.443 2.648 416 1HB PRO 58 1HB PRO 58 -10.215 3.045 4.355 417 2HB PRO 58 2HB PRO 58 -9.862 1.472 3.631 418 1HG PRO 58 1HG PRO 58 -9.645 2.264 6.411 419 2HG PRO 58 2HG PRO 58 -9.442 0.658 5.705 420 1HD PRO 58 1HD PRO 58 -7.386 2.453 6.681 421 2HD PRO 58 2HD PRO 58 -7.189 0.809 6.024 422 H LEU 59 H LEU 59 -9.563 4.403 2.163 423 HA LEU 59 HA LEU 59 -8.169 6.890 2.916 424 1HB LEU 59 1HB LEU 59 -10.575 6.333 1.144 425 2HB LEU 59 2HB LEU 59 -9.580 7.782 1.117 426 HG LEU 59 HG LEU 59 -8.576 4.989 0.519 427 1HD1 LEU 59 1HD1 LEU 59 -10.163 6.046 -1.176 428 2HD1 LEU 59 2HD1 LEU 59 -8.945 7.303 -1.397 429 3HD1 LEU 59 3HD1 LEU 59 -8.564 5.627 -1.792 430 1HD2 LEU 59 1HD2 LEU 59 -7.303 7.636 0.922 431 2HD2 LEU 59 2HD2 LEU 59 -6.620 6.022 1.108 432 3HD2 LEU 59 3HD2 LEU 59 -6.751 6.745 -0.495 433 HA PRO 60 HA PRO 60 -10.918 8.526 5.962 434 1HB PRO 60 1HB PRO 60 -11.946 10.643 4.223 435 2HB PRO 60 2HB PRO 60 -10.926 10.777 5.661 436 1HG PRO 60 1HG PRO 60 -10.102 11.140 2.987 437 2HG PRO 60 2HG PRO 60 -9.052 11.003 4.400 438 1HD PRO 60 1HD PRO 60 -9.398 9.108 2.242 439 2HD PRO 60 2HD PRO 60 -8.292 8.995 3.629 440 H ASN 61 H ASN 61 -13.414 9.721 5.746 441 HA ASN 61 HA ASN 61 -15.261 7.674 5.567 442 1HB ASN 61 1HB ASN 61 -15.298 10.371 5.991 443 2HB ASN 61 2HB ASN 61 -16.135 10.275 4.442 444 1HD2 ASN 61 2HD2 ASN 61 -18.220 9.215 4.382 445 2HD2 ASN 61 1HD2 ASN 61 -19.036 8.750 5.797 446 H LYS 62 H LYS 62 -14.020 9.680 2.935 447 HA LYS 62 HA LYS 62 -15.691 8.333 0.913 448 1HB LYS 62 1HB LYS 62 -14.433 9.815 -0.623 449 2HB LYS 62 2HB LYS 62 -15.050 10.719 0.759 450 1HG LYS 62 1HG LYS 62 -12.645 9.980 1.747 451 2HG LYS 62 2HG LYS 62 -12.247 10.054 0.030 452 1HD LYS 62 1HD LYS 62 -13.460 12.344 0.055 453 2HD LYS 62 2HD LYS 62 -13.291 12.255 1.809 454 1HE LYS 62 1HE LYS 62 -10.778 11.741 1.310 455 2HE LYS 62 2HE LYS 62 -11.127 12.437 -0.283 456 1HZ LYS 62 1HZ LYS 62 -12.368 14.025 1.666 457 2HZ LYS 62 2HZ LYS 62 -10.754 13.799 2.141 458 3HZ LYS 62 3HZ LYS 62 -11.104 14.452 0.617 459 H THR 63 H THR 63 -15.104 6.149 0.812 460 HA THR 63 HA THR 63 -12.227 5.426 0.647 461 HB THR 63 HB THR 63 -13.746 4.246 2.179 462 HG1 THR 63 HG1 THR 63 -12.050 3.096 1.102 463 1HG2 THR 63 1HG2 THR 63 -15.334 3.954 -0.341 464 2HG2 THR 63 2HG2 THR 63 -15.423 2.671 0.865 465 3HG2 THR 63 3HG2 THR 63 -15.886 4.317 1.294 466 H CYS 64 H CYS 64 -12.368 3.140 -0.845 467 HA CYS 64 HA CYS 64 -12.290 4.124 -3.567 468 1HB CYS 64 1HB CYS 64 -10.858 2.350 -2.491 469 2HB CYS 64 2HB CYS 64 -12.265 1.290 -2.474 Start of MODEL 23 1 1H LYS 1 1H LYS 1 5.911 6.377 10.747 2 2H LYS 1 2H LYS 1 5.481 7.956 11.191 3 3H LYS 1 3H LYS 1 4.467 6.655 11.599 4 HA LYS 1 HA LYS 1 3.448 7.710 9.751 5 1HB LYS 1 1HB LYS 1 6.331 7.792 8.909 6 2HB LYS 1 2HB LYS 1 5.071 7.886 7.677 7 1HG LYS 1 1HG LYS 1 4.043 9.787 8.882 8 2HG LYS 1 2HG LYS 1 5.331 9.710 10.086 9 1HD LYS 1 1HD LYS 1 5.725 11.439 8.300 10 2HD LYS 1 2HD LYS 1 7.007 10.232 8.410 11 1HE LYS 1 1HE LYS 1 6.076 9.003 6.510 12 2HE LYS 1 2HE LYS 1 4.697 10.116 6.442 13 1HZ LYS 1 1HZ LYS 1 6.416 11.942 6.292 14 2HZ LYS 1 2HZ LYS 1 7.556 10.727 5.965 15 3HZ LYS 1 3HZ LYS 1 6.248 10.965 4.911 16 H ASP 2 H ASP 2 2.310 5.733 9.683 17 HA ASP 2 HA ASP 2 3.419 3.690 7.789 18 1HB ASP 2 1HB ASP 2 1.761 3.033 10.230 19 2HB ASP 2 2HB ASP 2 2.790 1.955 9.288 20 H GLY 3 H GLY 3 1.863 2.934 6.305 21 1HA GLY 3 1HA GLY 3 -0.991 3.455 6.836 22 2HA GLY 3 2HA GLY 3 -0.299 4.329 5.469 23 H TYR 4 H TYR 4 -2.053 2.969 4.402 24 HA TYR 4 HA TYR 4 -0.939 0.304 3.596 25 1HB TYR 4 1HB TYR 4 -3.465 1.142 4.738 26 2HB TYR 4 2HB TYR 4 -3.732 0.416 3.154 27 HD1 TYR 4 HD1 TYR 4 -2.357 -1.804 2.694 28 HD2 TYR 4 HD2 TYR 4 -3.287 -0.257 6.592 29 HE1 TYR 4 HE1 TYR 4 -2.027 -4.060 3.668 30 HE2 TYR 4 HE2 TYR 4 -2.957 -2.515 7.566 31 HH TYR 4 HH TYR 4 -1.512 -5.078 5.808 32 H LEU 5 H LEU 5 -1.899 -0.332 1.364 33 HA LEU 5 HA LEU 5 -1.748 2.055 -0.424 34 1HB LEU 5 1HB LEU 5 -1.192 -0.902 -0.679 35 2HB LEU 5 2HB LEU 5 -1.391 0.100 -2.118 36 HG LEU 5 HG LEU 5 0.506 0.880 0.098 37 1HD1 LEU 5 1HD1 LEU 5 0.906 -1.031 -2.198 38 2HD1 LEU 5 2HD1 LEU 5 2.254 -0.077 -1.580 39 3HD1 LEU 5 3HD1 LEU 5 1.411 -1.205 -0.517 40 1HD2 LEU 5 1HD2 LEU 5 -0.257 1.853 -2.571 41 2HD2 LEU 5 2HD2 LEU 5 0.513 2.715 -1.239 42 3HD2 LEU 5 3HD2 LEU 5 1.486 1.732 -2.334 43 H VAL 6 H VAL 6 -3.347 2.278 -2.112 44 HA VAL 6 HA VAL 6 -5.887 0.773 -1.574 45 HB VAL 6 HB VAL 6 -7.012 2.824 -2.262 46 1HG1 VAL 6 1HG1 VAL 6 -5.870 2.557 0.077 47 2HG1 VAL 6 2HG1 VAL 6 -4.765 3.795 -0.517 48 3HG1 VAL 6 3HG1 VAL 6 -6.490 4.138 -0.398 49 1HG2 VAL 6 1HG2 VAL 6 -4.204 3.670 -2.993 50 2HG2 VAL 6 2HG2 VAL 6 -5.633 3.635 -4.025 51 3HG2 VAL 6 3HG2 VAL 6 -5.496 4.844 -2.750 52 H GLU 7 H GLU 7 -7.323 1.351 -3.780 53 HA GLU 7 HA GLU 7 -5.678 0.268 -6.047 54 1HB GLU 7 1HB GLU 7 -7.953 -0.708 -4.699 55 2HB GLU 7 2HB GLU 7 -8.548 -0.116 -6.250 56 1HG GLU 7 1HG GLU 7 -6.048 -1.768 -6.200 57 2HG GLU 7 2HG GLU 7 -7.607 -2.578 -6.042 58 H LYS 8 H LYS 8 -6.456 0.981 -8.226 59 HA LYS 8 HA LYS 8 -6.572 3.705 -8.662 60 1HB LYS 8 1HB LYS 8 -7.404 3.130 -10.842 61 2HB LYS 8 2HB LYS 8 -6.432 1.759 -10.306 62 1HG LYS 8 1HG LYS 8 -8.577 0.714 -9.441 63 2HG LYS 8 2HG LYS 8 -9.449 1.997 -10.281 64 1HD LYS 8 1HD LYS 8 -9.307 -0.004 -11.701 65 2HD LYS 8 2HD LYS 8 -8.377 1.318 -12.408 66 1HE LYS 8 1HE LYS 8 -6.336 0.306 -11.959 67 2HE LYS 8 2HE LYS 8 -6.967 -0.571 -10.551 68 1HZ LYS 8 1HZ LYS 8 -8.269 -1.170 -13.069 69 2HZ LYS 8 2HZ LYS 8 -6.652 -1.682 -12.967 70 3HZ LYS 8 3HZ LYS 8 -7.789 -2.215 -11.823 71 H THR 9 H THR 9 -9.305 1.582 -7.854 72 HA THR 9 HA THR 9 -11.270 3.749 -8.099 73 HB THR 9 HB THR 9 -12.762 1.913 -7.213 74 HG1 THR 9 HG1 THR 9 -11.660 0.519 -6.090 75 1HG2 THR 9 1HG2 THR 9 -12.261 2.231 -9.644 76 2HG2 THR 9 2HG2 THR 9 -10.940 1.073 -9.482 77 3HG2 THR 9 3HG2 THR 9 -12.606 0.554 -9.219 78 H GLY 10 H GLY 10 -9.499 2.096 -5.529 79 1HA GLY 10 1HA GLY 10 -9.127 3.857 -3.610 80 2HA GLY 10 2HA GLY 10 -10.885 3.769 -3.492 81 H CYS 11 H CYS 11 -10.593 0.796 -4.294 82 HA CYS 11 HA CYS 11 -10.833 -0.340 -1.711 83 1HB CYS 11 1HB CYS 11 -10.248 -1.332 -4.485 84 2HB CYS 11 2HB CYS 11 -10.196 -2.467 -3.136 85 H LYS 12 H LYS 12 -9.245 -2.204 -0.988 86 HA LYS 12 HA LYS 12 -6.645 -0.959 -0.487 87 1HB LYS 12 1HB LYS 12 -6.415 -2.746 1.079 88 2HB LYS 12 2HB LYS 12 -8.119 -2.310 1.107 89 1HG LYS 12 1HG LYS 12 -8.037 -4.179 -0.915 90 2HG LYS 12 2HG LYS 12 -6.839 -4.804 0.218 91 1HD LYS 12 1HD LYS 12 -8.710 -4.253 2.008 92 2HD LYS 12 2HD LYS 12 -9.780 -4.385 0.613 93 1HE LYS 12 1HE LYS 12 -9.691 -6.602 1.478 94 2HE LYS 12 2HE LYS 12 -8.521 -6.627 0.142 95 1HZ LYS 12 1HZ LYS 12 -6.849 -5.855 1.867 96 2HZ LYS 12 2HZ LYS 12 -7.987 -6.324 3.038 97 3HZ LYS 12 3HZ LYS 12 -7.348 -7.475 1.969 98 H LYS 13 H LYS 13 -4.982 -3.129 -0.377 99 HA LYS 13 HA LYS 13 -4.864 -4.295 -3.123 100 1HB LYS 13 1HB LYS 13 -3.331 -2.097 -2.084 101 2HB LYS 13 2HB LYS 13 -2.246 -3.467 -2.328 102 1HG LYS 13 1HG LYS 13 -4.178 -3.046 -4.517 103 2HG LYS 13 2HG LYS 13 -3.017 -1.735 -4.310 104 1HD LYS 13 1HD LYS 13 -1.713 -4.318 -4.073 105 2HD LYS 13 2HD LYS 13 -2.563 -4.177 -5.612 106 1HE LYS 13 1HE LYS 13 -0.689 -2.038 -4.548 107 2HE LYS 13 2HE LYS 13 -0.194 -3.303 -5.690 108 1HZ LYS 13 1HZ LYS 13 -2.603 -1.656 -6.166 109 2HZ LYS 13 2HZ LYS 13 -1.068 -1.128 -6.668 110 3HZ LYS 13 3HZ LYS 13 -1.708 -2.572 -7.282 111 H THR 14 H THR 14 -5.362 -6.304 -1.990 112 HA THR 14 HA THR 14 -3.619 -7.248 0.164 113 HB THR 14 HB THR 14 -5.892 -8.372 -1.480 114 HG1 THR 14 HG1 THR 14 -6.234 -6.812 0.226 115 1HG2 THR 14 1HG2 THR 14 -4.181 -9.722 0.611 116 2HG2 THR 14 2HG2 THR 14 -5.818 -10.264 0.236 117 3HG2 THR 14 3HG2 THR 14 -4.570 -10.296 -1.010 118 H CYS 15 H CYS 15 -2.055 -8.892 -0.002 119 HA CYS 15 HA CYS 15 -1.196 -9.576 -2.792 120 1HB CYS 15 1HB CYS 15 1.038 -9.627 -1.918 121 2HB CYS 15 2HB CYS 15 0.288 -8.187 -1.235 122 H TYR 16 H TYR 16 -0.108 -11.807 -2.893 123 HA TYR 16 HA TYR 16 -1.729 -13.718 -1.261 124 1HB TYR 16 1HB TYR 16 -0.382 -13.818 -3.968 125 2HB TYR 16 2HB TYR 16 -1.058 -15.254 -3.198 126 HD1 TYR 16 HD1 TYR 16 -3.489 -15.404 -2.727 127 HD2 TYR 16 HD2 TYR 16 -1.802 -12.089 -4.878 128 HE1 TYR 16 HE1 TYR 16 -5.751 -14.768 -3.521 129 HE2 TYR 16 HE2 TYR 16 -4.066 -11.454 -5.670 130 HH TYR 16 HH TYR 16 -6.498 -11.829 -4.784 131 H LYS 17 H LYS 17 0.867 -12.432 -0.400 132 HA LYS 17 HA LYS 17 2.156 -14.874 0.568 133 1HB LYS 17 1HB LYS 17 2.894 -14.072 -1.928 134 2HB LYS 17 2HB LYS 17 4.042 -13.157 -0.950 135 1HG LYS 17 1HG LYS 17 5.262 -15.078 -0.981 136 2HG LYS 17 2HG LYS 17 4.134 -15.612 0.266 137 1HD LYS 17 1HD LYS 17 2.876 -16.888 -1.230 138 2HD LYS 17 2HD LYS 17 3.411 -15.957 -2.629 139 1HE LYS 17 1HE LYS 17 4.841 -17.707 -2.978 140 2HE LYS 17 2HE LYS 17 5.792 -16.987 -1.664 141 1HZ LYS 17 1HZ LYS 17 3.479 -18.651 -0.972 142 2HZ LYS 17 2HZ LYS 17 4.901 -19.433 -1.477 143 3HZ LYS 17 3HZ LYS 17 4.930 -18.413 -0.122 144 H LEU 18 H LEU 18 2.614 -14.299 2.647 145 HA LEU 18 HA LEU 18 2.833 -11.520 3.484 146 1HB LEU 18 1HB LEU 18 3.260 -14.204 4.825 147 2HB LEU 18 2HB LEU 18 3.292 -12.668 5.691 148 HG LEU 18 HG LEU 18 0.958 -13.698 4.051 149 1HD1 LEU 18 1HD1 LEU 18 1.517 -13.616 7.022 150 2HD1 LEU 18 2HD1 LEU 18 -0.114 -13.776 6.369 151 3HD1 LEU 18 3HD1 LEU 18 1.095 -15.017 6.037 152 1HD2 LEU 18 1HD2 LEU 18 1.671 -11.077 4.936 153 2HD2 LEU 18 2HD2 LEU 18 0.174 -11.588 4.155 154 3HD2 LEU 18 3HD2 LEU 18 0.306 -11.620 5.913 155 H GLY 19 H GLY 19 4.756 -10.734 4.732 156 1HA GLY 19 1HA GLY 19 7.114 -10.742 5.218 157 2HA GLY 19 2HA GLY 19 7.329 -12.024 4.032 158 H GLU 20 H GLU 20 9.136 -10.433 3.439 159 HA GLU 20 HA GLU 20 8.605 -7.913 2.210 160 1HB GLU 20 1HB GLU 20 10.762 -10.012 2.069 161 2HB GLU 20 2HB GLU 20 10.857 -8.570 1.058 162 1HG GLU 20 1HG GLU 20 11.522 -7.312 2.803 163 2HG GLU 20 2HG GLU 20 10.153 -7.854 3.776 164 H ASN 21 H ASN 21 6.594 -8.578 0.954 165 HA ASN 21 HA ASN 21 6.976 -10.288 -1.398 166 1HB ASN 21 1HB ASN 21 4.872 -9.810 0.106 167 2HB ASN 21 2HB ASN 21 4.681 -8.396 -0.930 168 1HD2 ASN 21 2HD2 ASN 21 2.957 -10.858 -0.807 169 2HD2 ASN 21 1HD2 ASN 21 2.962 -11.492 -2.381 170 H ASP 22 H ASP 22 8.618 -9.202 -2.628 171 HA ASP 22 HA ASP 22 9.044 -6.571 -3.252 172 1HB ASP 22 1HB ASP 22 10.259 -8.524 -4.165 173 2HB ASP 22 2HB ASP 22 8.882 -8.889 -5.205 174 H PHE 23 H PHE 23 6.322 -8.530 -4.362 175 HA PHE 23 HA PHE 23 5.263 -6.995 -6.442 176 1HB PHE 23 1HB PHE 23 4.494 -9.113 -4.875 177 2HB PHE 23 2HB PHE 23 3.333 -7.879 -4.385 178 HD1 PHE 23 HD1 PHE 23 4.972 -8.983 -7.585 179 HD2 PHE 23 HD2 PHE 23 1.337 -7.882 -5.577 180 HE1 PHE 23 HE1 PHE 23 3.704 -9.335 -9.687 181 HE2 PHE 23 HE2 PHE 23 0.069 -8.237 -7.678 182 HZ PHE 23 HZ PHE 23 1.253 -8.962 -9.733 183 H CYS 24 H CYS 24 4.619 -6.543 -2.937 184 HA CYS 24 HA CYS 24 3.199 -4.037 -3.337 185 1HB CYS 24 1HB CYS 24 4.477 -5.319 -0.895 186 2HB CYS 24 2HB CYS 24 3.313 -3.998 -0.857 187 H ASN 25 H ASN 25 6.455 -4.908 -2.130 188 HA ASN 25 HA ASN 25 7.462 -2.344 -1.559 189 1HB ASN 25 1HB ASN 25 8.845 -4.712 -2.866 190 2HB ASN 25 2HB ASN 25 9.651 -3.412 -1.988 191 1HD2 ASN 25 2HD2 ASN 25 10.445 -4.860 -0.306 192 2HD2 ASN 25 1HD2 ASN 25 9.397 -5.554 0.834 193 H ARG 26 H ARG 26 7.808 -4.118 -4.661 194 HA ARG 26 HA ARG 26 8.967 -2.036 -6.178 195 1HB ARG 26 1HB ARG 26 8.890 -4.217 -7.099 196 2HB ARG 26 2HB ARG 26 7.165 -4.385 -6.774 197 1HG ARG 26 1HG ARG 26 6.555 -3.170 -8.631 198 2HG ARG 26 2HG ARG 26 8.005 -2.173 -8.589 199 1HD ARG 26 1HD ARG 26 9.336 -4.171 -9.334 200 2HD ARG 26 2HD ARG 26 7.816 -5.058 -9.535 201 HE ARG 26 HE ARG 26 8.896 -3.067 -11.335 202 1HH1 ARG 26 1HH1 ARG 26 5.931 -4.153 -9.939 203 2HH1 ARG 26 2HH1 ARG 26 4.942 -3.222 -11.011 204 1HH2 ARG 26 1HH2 ARG 26 7.619 -1.882 -12.753 205 2HH2 ARG 26 2HH2 ARG 26 5.894 -1.951 -12.612 206 H GLU 27 H GLU 27 5.513 -2.822 -5.683 207 HA GLU 27 HA GLU 27 4.496 -0.655 -7.289 208 1HB GLU 27 1HB GLU 27 3.101 -2.528 -6.823 209 2HB GLU 27 2HB GLU 27 3.418 -2.428 -5.089 210 1HG GLU 27 1HG GLU 27 2.175 -0.066 -6.444 211 2HG GLU 27 2HG GLU 27 1.162 -1.471 -6.113 212 H CYS 28 H CYS 28 5.422 -0.958 -3.887 213 HA CYS 28 HA CYS 28 4.247 1.510 -2.971 214 1HB CYS 28 1HB CYS 28 5.131 -0.540 -1.677 215 2HB CYS 28 2HB CYS 28 6.734 0.162 -1.899 216 H LYS 29 H LYS 29 7.614 0.676 -3.886 217 HA LYS 29 HA LYS 29 8.734 3.268 -3.628 218 1HB LYS 29 1HB LYS 29 9.291 0.810 -5.283 219 2HB LYS 29 2HB LYS 29 10.288 2.252 -5.482 220 1HG LYS 29 1HG LYS 29 10.782 2.242 -3.061 221 2HG LYS 29 2HG LYS 29 9.797 0.791 -2.870 222 1HD LYS 29 1HD LYS 29 11.884 -0.179 -3.109 223 2HD LYS 29 2HD LYS 29 11.386 -0.116 -4.800 224 1HE LYS 29 1HE LYS 29 13.290 1.068 -5.182 225 2HE LYS 29 2HE LYS 29 12.516 2.407 -4.311 226 1HZ LYS 29 1HZ LYS 29 13.675 0.224 -2.743 227 2HZ LYS 29 2HZ LYS 29 14.743 1.344 -3.443 228 3HZ LYS 29 3HZ LYS 29 13.542 1.872 -2.364 229 H TRP 30 H TRP 30 8.707 2.051 -6.905 230 HA TRP 30 HA TRP 30 8.129 3.152 -8.921 231 1HB TRP 30 1HB TRP 30 5.882 3.022 -7.043 232 2HB TRP 30 2HB TRP 30 5.687 4.299 -8.243 233 HD1 TRP 30 HD1 TRP 30 4.464 1.094 -7.905 234 HE1 TRP 30 HE1 TRP 30 4.314 -0.228 -10.113 235 HE3 TRP 30 HE3 TRP 30 7.604 3.878 -10.814 236 HZ2 TRP 30 HZ2 TRP 30 5.387 -0.121 -12.761 237 HZ3 TRP 30 HZ3 TRP 30 8.021 3.245 -13.174 238 HH2 TRP 30 HH2 TRP 30 6.918 1.251 -14.149 239 H LYS 31 H LYS 31 9.478 4.793 -6.626 240 HA LYS 31 HA LYS 31 10.013 7.067 -6.222 241 1HB LYS 31 1HB LYS 31 9.944 6.427 -9.031 242 2HB LYS 31 2HB LYS 31 9.425 8.099 -8.812 243 1HG LYS 31 1HG LYS 31 11.677 8.501 -8.808 244 2HG LYS 31 2HG LYS 31 11.532 8.044 -7.111 245 1HD LYS 31 1HD LYS 31 13.108 6.485 -7.606 246 2HD LYS 31 2HD LYS 31 11.768 5.594 -8.328 247 1HE LYS 31 1HE LYS 31 13.349 5.670 -10.084 248 2HE LYS 31 2HE LYS 31 12.303 7.056 -10.456 249 1HZ LYS 31 1HZ LYS 31 13.955 8.168 -8.714 250 2HZ LYS 31 2HZ LYS 31 15.010 7.013 -9.377 251 3HZ LYS 31 3HZ LYS 31 14.263 8.160 -10.382 252 H HIS 32 H HIS 32 7.172 6.181 -5.887 253 HA HIS 32 HA HIS 32 5.316 8.097 -6.887 254 1HB HIS 32 1HB HIS 32 4.696 5.963 -5.866 255 2HB HIS 32 2HB HIS 32 5.397 6.469 -4.327 256 HD1 HIS 32 HD1 HIS 32 3.618 9.131 -6.148 257 HD2 HIS 32 HD2 HIS 32 2.658 6.265 -3.278 258 HE1 HIS 32 HE1 HIS 32 1.390 9.824 -5.163 259 H ILE 33 H ILE 33 6.446 7.936 -3.493 260 HA ILE 33 HA ILE 33 6.668 10.918 -3.506 261 HB ILE 33 HB ILE 33 4.448 9.764 -2.669 262 1HG1 ILE 33 1HG1 ILE 33 4.395 11.530 -0.769 263 2HG1 ILE 33 2HG1 ILE 33 6.015 11.957 -1.322 264 1HG2 ILE 33 1HG2 ILE 33 6.303 9.427 -0.294 265 2HG2 ILE 33 2HG2 ILE 33 4.547 9.283 -0.223 266 3HG2 ILE 33 3HG2 ILE 33 5.486 8.138 -1.178 267 1HD1 ILE 33 1HD1 ILE 33 3.772 11.720 -3.310 268 2HD1 ILE 33 2HD1 ILE 33 3.948 13.194 -2.357 269 3HD1 ILE 33 3HD1 ILE 33 5.256 12.669 -3.417 270 H GLY 34 H GLY 34 7.270 7.918 -1.663 271 1HA GLY 34 1HA GLY 34 9.932 7.947 -1.261 272 2HA GLY 34 2HA GLY 34 9.441 9.234 -0.157 273 H GLY 35 H GLY 35 9.866 5.891 -0.456 274 1HA GLY 35 1HA GLY 35 8.242 5.445 2.018 275 2HA GLY 35 2HA GLY 35 8.440 4.209 0.775 276 H SER 36 H SER 36 9.375 4.717 3.772 277 HA SER 36 HA SER 36 12.283 4.377 3.560 278 1HB SER 36 1HB SER 36 12.074 5.111 5.689 279 2HB SER 36 2HB SER 36 10.325 5.097 5.493 280 HG SER 36 HG SER 36 10.305 3.461 6.796 281 H TYR 37 H TYR 37 9.493 2.330 4.439 282 HA TYR 37 HA TYR 37 11.055 -0.077 3.643 283 1HB TYR 37 1HB TYR 37 10.571 0.825 6.318 284 2HB TYR 37 2HB TYR 37 9.615 -0.633 6.060 285 HD1 TYR 37 HD1 TYR 37 11.484 -1.876 3.946 286 HD2 TYR 37 HD2 TYR 37 12.216 -0.122 7.800 287 HE1 TYR 37 HE1 TYR 37 13.532 -3.256 4.188 288 HE2 TYR 37 HE2 TYR 37 14.262 -1.500 8.039 289 HH TYR 37 HH TYR 37 15.038 -3.825 7.013 290 H GLY 38 H GLY 38 9.685 -1.636 2.693 291 1HA GLY 38 1HA GLY 38 6.756 -1.315 3.091 292 2HA GLY 38 2HA GLY 38 7.382 -1.243 1.447 293 H TYR 39 H TYR 39 5.693 -3.226 3.142 294 HA TYR 39 HA TYR 39 6.541 -5.623 1.753 295 1HB TYR 39 1HB TYR 39 7.117 -6.870 3.875 296 2HB TYR 39 2HB TYR 39 8.270 -5.602 3.465 297 HD1 TYR 39 HD1 TYR 39 8.084 -3.352 4.606 298 HD2 TYR 39 HD2 TYR 39 5.879 -6.803 5.901 299 HE1 TYR 39 HE1 TYR 39 7.679 -2.266 6.799 300 HE2 TYR 39 HE2 TYR 39 5.477 -5.718 8.097 301 HH TYR 39 HH TYR 39 5.630 -3.802 9.257 302 H CYS 40 H CYS 40 4.960 -7.391 2.165 303 HA CYS 40 HA CYS 40 2.311 -6.345 2.767 304 1HB CYS 40 1HB CYS 40 3.310 -8.298 1.189 305 2HB CYS 40 2HB CYS 40 2.811 -9.271 2.575 306 H TYR 41 H TYR 41 1.205 -6.463 4.664 307 HA TYR 41 HA TYR 41 2.131 -8.340 6.801 308 1HB TYR 41 1HB TYR 41 3.018 -5.892 6.897 309 2HB TYR 41 2HB TYR 41 1.366 -5.468 7.339 310 HD1 TYR 41 HD1 TYR 41 1.046 -8.366 8.734 311 HD2 TYR 41 HD2 TYR 41 3.776 -5.069 9.129 312 HE1 TYR 41 HE1 TYR 41 1.503 -9.024 11.076 313 HE2 TYR 41 HE2 TYR 41 4.233 -5.733 11.473 314 HH TYR 41 HH TYR 41 2.315 -8.052 13.131 315 H GLY 42 H GLY 42 0.239 -9.609 6.556 316 1HA GLY 42 1HA GLY 42 -1.962 -10.049 7.455 317 2HA GLY 42 2HA GLY 42 -2.266 -8.309 7.481 318 H PHE 43 H PHE 43 -0.930 -10.179 4.793 319 HA PHE 43 HA PHE 43 -1.700 -10.429 2.577 320 1HB PHE 43 1HB PHE 43 -4.211 -10.407 4.259 321 2HB PHE 43 2HB PHE 43 -4.276 -10.654 2.514 322 HD1 PHE 43 HD1 PHE 43 -1.872 -12.213 1.959 323 HD2 PHE 43 HD2 PHE 43 -4.612 -12.499 5.255 324 HE1 PHE 43 HE1 PHE 43 -1.244 -14.591 2.273 325 HE2 PHE 43 HE2 PHE 43 -3.984 -14.877 5.570 326 HZ PHE 43 HZ PHE 43 -2.299 -15.923 4.080 327 H GLY 44 H GLY 44 -0.909 -7.858 3.172 328 1HA GLY 44 1HA GLY 44 -2.491 -6.296 1.296 329 2HA GLY 44 2HA GLY 44 -2.622 -5.700 2.951 330 H CYS 45 H CYS 45 -1.163 -4.747 0.361 331 HA CYS 45 HA CYS 45 1.660 -4.787 0.965 332 1HB CYS 45 1HB CYS 45 -0.050 -2.899 -0.688 333 2HB CYS 45 2HB CYS 45 1.704 -3.034 -0.789 334 H TYR 46 H TYR 46 2.068 -4.028 3.083 335 HA TYR 46 HA TYR 46 0.957 -1.391 3.900 336 1HB TYR 46 1HB TYR 46 1.159 -3.647 5.252 337 2HB TYR 46 2HB TYR 46 2.824 -3.121 5.504 338 HD1 TYR 46 HD1 TYR 46 -0.677 -1.780 5.673 339 HD2 TYR 46 HD2 TYR 46 3.295 -1.722 7.305 340 HE1 TYR 46 HE1 TYR 46 -1.433 -0.233 7.457 341 HE2 TYR 46 HE2 TYR 46 2.539 -0.176 9.090 342 HH TYR 46 HH TYR 46 -0.132 1.598 8.979 343 H CYS 47 H CYS 47 2.320 0.423 4.261 344 HA CYS 47 HA CYS 47 5.230 0.042 3.663 345 1HB CYS 47 1HB CYS 47 3.162 1.662 2.226 346 2HB CYS 47 2HB CYS 47 4.802 2.305 2.324 347 H GLU 48 H GLU 48 6.523 1.241 5.014 348 HA GLU 48 HA GLU 48 5.190 3.082 6.937 349 1HB GLU 48 1HB GLU 48 7.923 1.765 6.813 350 2HB GLU 48 2HB GLU 48 7.378 2.797 8.135 351 1HG GLU 48 1HG GLU 48 5.294 1.089 8.041 352 2HG GLU 48 2HG GLU 48 6.563 0.021 7.440 353 H GLY 49 H GLY 49 6.323 5.160 7.417 354 1HA GLY 49 1HA GLY 49 7.563 7.084 6.813 355 2HA GLY 49 2HA GLY 49 8.292 6.155 5.502 356 H LEU 50 H LEU 50 4.817 6.358 5.946 357 HA LEU 50 HA LEU 50 4.583 7.581 3.259 358 1HB LEU 50 1HB LEU 50 2.483 6.534 5.177 359 2HB LEU 50 2HB LEU 50 2.282 6.824 3.449 360 HG LEU 50 HG LEU 50 3.983 4.714 4.790 361 1HD1 LEU 50 1HD1 LEU 50 1.502 4.378 4.271 362 2HD1 LEU 50 2HD1 LEU 50 1.948 4.473 2.568 363 3HD1 LEU 50 3HD1 LEU 50 2.603 3.187 3.580 364 1HD2 LEU 50 1HD2 LEU 50 5.275 5.827 2.973 365 2HD2 LEU 50 2HD2 LEU 50 4.855 4.165 2.560 366 3HD2 LEU 50 3HD2 LEU 50 3.948 5.504 1.858 367 HA PRO 51 HA PRO 51 4.228 11.574 5.393 368 1HB PRO 51 1HB PRO 51 3.339 12.500 2.761 369 2HB PRO 51 2HB PRO 51 4.778 12.962 3.677 370 1HG PRO 51 1HG PRO 51 4.723 11.330 1.379 371 2HG PRO 51 2HG PRO 51 6.093 11.562 2.467 372 1HD PRO 51 1HD PRO 51 4.459 9.185 2.117 373 2HD PRO 51 2HD PRO 51 5.909 9.389 3.130 374 H ASP 52 H ASP 52 2.378 12.786 6.075 375 HA ASP 52 HA ASP 52 -0.148 11.441 6.095 376 1HB ASP 52 1HB ASP 52 0.979 14.096 6.879 377 2HB ASP 52 2HB ASP 52 -0.778 13.946 6.816 378 H SER 53 H SER 53 1.315 13.356 3.661 379 HA SER 53 HA SER 53 -1.277 14.256 2.522 380 1HB SER 53 1HB SER 53 1.541 15.001 2.428 381 2HB SER 53 2HB SER 53 0.830 14.942 0.818 382 HG SER 53 HG SER 53 -0.050 16.408 3.084 383 H THR 54 H THR 54 1.154 11.780 2.046 384 HA THR 54 HA THR 54 0.639 11.157 -0.706 385 HB THR 54 HB THR 54 1.495 9.365 1.592 386 HG1 THR 54 HG1 THR 54 2.874 11.056 1.557 387 1HG2 THR 54 1HG2 THR 54 1.486 9.127 -1.382 388 2HG2 THR 54 2HG2 THR 54 2.880 8.481 -0.516 389 3HG2 THR 54 3HG2 THR 54 1.262 7.880 -0.155 390 H GLN 55 H GLN 55 -0.589 9.274 -1.516 391 HA GLN 55 HA GLN 55 -3.240 9.063 -0.299 392 1HB GLN 55 1HB GLN 55 -1.838 8.394 -2.791 393 2HB GLN 55 2HB GLN 55 -3.050 7.196 -2.334 394 1HG GLN 55 1HG GLN 55 -4.301 9.632 -1.829 395 2HG GLN 55 2HG GLN 55 -3.423 9.913 -3.333 396 1HE2 GLN 55 2HE2 GLN 55 -6.090 8.171 -1.878 397 2HE2 GLN 55 1HE2 GLN 55 -6.647 7.439 -3.304 398 H THR 56 H THR 56 -3.993 7.370 0.953 399 HA THR 56 HA THR 56 -2.616 4.777 1.013 400 HB THR 56 HB THR 56 -2.622 5.547 3.704 401 HG1 THR 56 HG1 THR 56 -1.323 7.507 3.496 402 1HG2 THR 56 1HG2 THR 56 -0.802 4.702 1.674 403 2HG2 THR 56 2HG2 THR 56 -0.048 6.015 2.580 404 3HG2 THR 56 3HG2 THR 56 -0.621 4.576 3.424 405 H TRP 57 H TRP 57 -3.878 3.185 2.186 406 HA TRP 57 HA TRP 57 -6.741 3.790 2.320 407 1HB TRP 57 1HB TRP 57 -5.350 1.635 1.617 408 2HB TRP 57 2HB TRP 57 -5.455 1.275 3.338 409 HD1 TRP 57 HD1 TRP 57 -7.632 1.758 0.236 410 HE1 TRP 57 HE1 TRP 57 -9.964 0.759 0.692 411 HE3 TRP 57 HE3 TRP 57 -7.154 0.633 5.191 412 HZ2 TRP 57 HZ2 TRP 57 -11.433 -0.370 2.870 413 HZ3 TRP 57 HZ3 TRP 57 -9.032 -0.401 6.432 414 HH2 TRP 57 HH2 TRP 57 -11.170 -0.906 5.279 415 HA PRO 58 HA PRO 58 -8.462 3.129 3.223 416 1HB PRO 58 1HB PRO 58 -10.260 4.625 4.782 417 2HB PRO 58 2HB PRO 58 -10.067 2.869 4.814 418 1HG PRO 58 1HG PRO 58 -9.314 4.813 6.841 419 2HG PRO 58 2HG PRO 58 -9.321 3.051 6.948 420 1HD PRO 58 1HD PRO 58 -7.038 4.803 6.672 421 2HD PRO 58 2HD PRO 58 -7.045 3.025 6.790 422 H LEU 59 H LEU 59 -10.076 4.858 2.283 423 HA LEU 59 HA LEU 59 -8.501 7.283 1.605 424 1HB LEU 59 1HB LEU 59 -10.874 5.774 0.523 425 2HB LEU 59 2HB LEU 59 -10.549 7.413 -0.035 426 HG LEU 59 HG LEU 59 -8.450 5.237 -0.044 427 1HD1 LEU 59 1HD1 LEU 59 -10.640 5.869 -1.969 428 2HD1 LEU 59 2HD1 LEU 59 -9.053 5.501 -2.643 429 3HD1 LEU 59 3HD1 LEU 59 -9.869 4.323 -1.614 430 1HD2 LEU 59 1HD2 LEU 59 -7.769 7.671 -0.109 431 2HD2 LEU 59 2HD2 LEU 59 -7.273 6.747 -1.528 432 3HD2 LEU 59 3HD2 LEU 59 -8.669 7.821 -1.618 433 HA PRO 60 HA PRO 60 -10.821 10.271 3.853 434 1HB PRO 60 1HB PRO 60 -11.944 11.540 1.482 435 2HB PRO 60 2HB PRO 60 -10.707 12.149 2.586 436 1HG PRO 60 1HG PRO 60 -10.315 11.190 -0.061 437 2HG PRO 60 2HG PRO 60 -9.068 11.649 1.102 438 1HD PRO 60 1HD PRO 60 -9.701 9.006 0.149 439 2HD PRO 60 2HD PRO 60 -8.459 9.467 1.336 440 H ASN 61 H ASN 61 -13.271 11.455 3.359 441 HA ASN 61 HA ASN 61 -15.214 9.656 4.178 442 1HB ASN 61 1HB ASN 61 -15.811 11.920 4.184 443 2HB ASN 61 2HB ASN 61 -15.214 12.182 2.546 444 1HD2 ASN 61 2HD2 ASN 61 -17.857 10.519 4.333 445 2HD2 ASN 61 1HD2 ASN 61 -18.979 10.615 3.063 446 H LYS 62 H LYS 62 -13.913 10.122 0.965 447 HA LYS 62 HA LYS 62 -15.966 8.443 -0.330 448 1HB LYS 62 1HB LYS 62 -14.649 8.966 -2.336 449 2HB LYS 62 2HB LYS 62 -14.893 10.432 -1.388 450 1HG LYS 62 1HG LYS 62 -12.652 10.695 -1.477 451 2HG LYS 62 2HG LYS 62 -12.563 9.364 -0.322 452 1HD LYS 62 1HD LYS 62 -11.387 8.247 -1.891 453 2HD LYS 62 2HD LYS 62 -12.908 8.088 -2.772 454 1HE LYS 62 1HE LYS 62 -12.463 10.108 -4.042 455 2HE LYS 62 2HE LYS 62 -11.025 10.458 -3.061 456 1HZ LYS 62 1HZ LYS 62 -11.281 7.831 -4.355 457 2HZ LYS 62 2HZ LYS 62 -10.782 9.153 -5.291 458 3HZ LYS 62 3HZ LYS 62 -9.877 8.688 -3.931 459 H THR 63 H THR 63 -15.741 6.334 0.540 460 HA THR 63 HA THR 63 -13.047 5.062 0.436 461 HB THR 63 HB THR 63 -15.489 3.740 1.524 462 HG1 THR 63 HG1 THR 63 -14.195 5.881 2.846 463 1HG2 THR 63 1HG2 THR 63 -12.669 3.483 1.725 464 2HG2 THR 63 2HG2 THR 63 -13.255 3.964 3.316 465 3HG2 THR 63 3HG2 THR 63 -13.898 2.517 2.540 466 H CYS 64 H CYS 64 -13.159 2.659 -0.286 467 HA CYS 64 HA CYS 64 -14.316 2.534 -2.962 468 1HB CYS 64 1HB CYS 64 -12.111 1.549 -1.971 469 2HB CYS 64 2HB CYS 64 -13.141 0.233 -1.408 Start of MODEL 24 1 1H LYS 1 1H LYS 1 5.027 6.506 8.434 2 2H LYS 1 2H LYS 1 5.275 7.245 9.943 3 3H LYS 1 3H LYS 1 6.256 5.947 9.467 4 HA LYS 1 HA LYS 1 4.771 4.941 10.930 5 1HB LYS 1 1HB LYS 1 2.451 5.651 11.043 6 2HB LYS 1 2HB LYS 1 3.462 7.095 11.017 7 1HG LYS 1 1HG LYS 1 2.793 7.697 8.898 8 2HG LYS 1 2HG LYS 1 2.552 6.029 8.382 9 1HD LYS 1 1HD LYS 1 0.718 6.633 10.515 10 2HD LYS 1 2HD LYS 1 0.578 7.860 9.257 11 1HE LYS 1 1HE LYS 1 0.770 5.484 7.813 12 2HE LYS 1 2HE LYS 1 -0.265 5.062 9.192 13 1HZ LYS 1 1HZ LYS 1 -1.533 7.108 8.777 14 2HZ LYS 1 2HZ LYS 1 -0.594 7.405 7.392 15 3HZ LYS 1 3HZ LYS 1 -1.606 6.042 7.460 16 H ASP 2 H ASP 2 3.320 3.079 10.479 17 HA ASP 2 HA ASP 2 3.777 1.948 7.832 18 1HB ASP 2 1HB ASP 2 1.907 0.949 9.995 19 2HB ASP 2 2HB ASP 2 2.806 0.001 8.812 20 H GLY 3 H GLY 3 2.242 1.717 6.162 21 1HA GLY 3 1HA GLY 3 -0.489 2.805 6.674 22 2HA GLY 3 2HA GLY 3 0.451 3.418 5.318 23 H TYR 4 H TYR 4 -1.527 2.573 4.159 24 HA TYR 4 HA TYR 4 -1.031 -0.262 3.337 25 1HB TYR 4 1HB TYR 4 -3.297 0.899 4.722 26 2HB TYR 4 2HB TYR 4 -3.802 0.241 3.165 27 HD1 TYR 4 HD1 TYR 4 -2.612 -2.120 2.586 28 HD2 TYR 4 HD2 TYR 4 -3.301 -0.561 6.527 29 HE1 TYR 4 HE1 TYR 4 -2.481 -4.416 3.518 30 HE2 TYR 4 HE2 TYR 4 -3.167 -2.852 7.460 31 HH TYR 4 HH TYR 4 -1.951 -5.116 6.610 32 H LEU 5 H LEU 5 -0.162 0.306 1.327 33 HA LEU 5 HA LEU 5 -0.697 2.366 -0.411 34 1HB LEU 5 1HB LEU 5 -0.303 -0.593 -0.922 35 2HB LEU 5 2HB LEU 5 -0.215 0.621 -2.199 36 HG LEU 5 HG LEU 5 1.396 1.038 0.291 37 1HD1 LEU 5 1HD1 LEU 5 1.742 -1.344 -0.506 38 2HD1 LEU 5 2HD1 LEU 5 2.333 -0.671 -2.026 39 3HD1 LEU 5 3HD1 LEU 5 3.191 -0.340 -0.522 40 1HD2 LEU 5 1HD2 LEU 5 1.058 2.378 -2.119 41 2HD2 LEU 5 2HD2 LEU 5 2.395 2.615 -0.994 42 3HD2 LEU 5 3HD2 LEU 5 2.574 1.506 -2.354 43 H VAL 6 H VAL 6 -2.346 2.948 -1.833 44 HA VAL 6 HA VAL 6 -4.866 1.336 -1.695 45 HB VAL 6 HB VAL 6 -5.994 3.407 -2.054 46 1HG1 VAL 6 1HG1 VAL 6 -4.124 3.125 0.022 47 2HG1 VAL 6 2HG1 VAL 6 -3.931 4.781 -0.556 48 3HG1 VAL 6 3HG1 VAL 6 -5.511 4.215 -0.013 49 1HG2 VAL 6 1HG2 VAL 6 -3.412 4.149 -3.311 50 2HG2 VAL 6 2HG2 VAL 6 -5.057 4.604 -3.760 51 3HG2 VAL 6 3HG2 VAL 6 -4.236 5.447 -2.445 52 H GLU 7 H GLU 7 -6.138 2.275 -3.940 53 HA GLU 7 HA GLU 7 -4.338 1.405 -6.184 54 1HB GLU 7 1HB GLU 7 -6.326 -0.055 -5.186 55 2HB GLU 7 2HB GLU 7 -7.304 0.989 -6.219 56 1HG GLU 7 1HG GLU 7 -4.906 0.028 -7.582 57 2HG GLU 7 2HG GLU 7 -5.938 -1.295 -7.040 58 H LYS 8 H LYS 8 -5.408 2.102 -8.373 59 HA LYS 8 HA LYS 8 -5.360 4.844 -8.738 60 1HB LYS 8 1HB LYS 8 -5.616 2.781 -10.344 61 2HB LYS 8 2HB LYS 8 -7.341 3.133 -10.224 62 1HG LYS 8 1HG LYS 8 -7.065 4.725 -11.789 63 2HG LYS 8 2HG LYS 8 -6.077 5.620 -10.634 64 1HD LYS 8 1HD LYS 8 -4.162 4.025 -11.400 65 2HD LYS 8 2HD LYS 8 -5.193 3.730 -12.801 66 1HE LYS 8 1HE LYS 8 -5.315 6.443 -12.701 67 2HE LYS 8 2HE LYS 8 -3.683 6.175 -12.060 68 1HZ LYS 8 1HZ LYS 8 -3.935 4.358 -14.092 69 2HZ LYS 8 2HZ LYS 8 -4.669 5.759 -14.713 70 3HZ LYS 8 3HZ LYS 8 -3.065 5.812 -14.156 71 H THR 9 H THR 9 -8.301 2.898 -8.099 72 HA THR 9 HA THR 9 -10.009 5.265 -7.918 73 HB THR 9 HB THR 9 -11.597 3.389 -7.065 74 HG1 THR 9 HG1 THR 9 -10.631 1.308 -7.808 75 1HG2 THR 9 1HG2 THR 9 -10.982 4.273 -9.544 76 2HG2 THR 9 2HG2 THR 9 -10.513 2.582 -9.708 77 3HG2 THR 9 3HG2 THR 9 -12.163 2.998 -9.246 78 H GLY 10 H GLY 10 -7.928 3.565 -5.760 79 1HA GLY 10 1HA GLY 10 -7.395 4.627 -3.601 80 2HA GLY 10 2HA GLY 10 -9.090 5.101 -3.476 81 H CYS 11 H CYS 11 -8.819 1.977 -4.728 82 HA CYS 11 HA CYS 11 -9.921 0.808 -2.281 83 1HB CYS 11 1HB CYS 11 -9.005 -0.546 -4.833 84 2HB CYS 11 2HB CYS 11 -10.231 -1.114 -3.700 85 H LYS 12 H LYS 12 -8.922 -1.345 -1.499 86 HA LYS 12 HA LYS 12 -6.063 -0.896 -0.926 87 1HB LYS 12 1HB LYS 12 -7.862 -3.161 -0.037 88 2HB LYS 12 2HB LYS 12 -6.458 -2.500 0.797 89 1HG LYS 12 1HG LYS 12 -7.820 -1.106 1.917 90 2HG LYS 12 2HG LYS 12 -8.235 -0.333 0.385 91 1HD LYS 12 1HD LYS 12 -9.637 -2.845 0.622 92 2HD LYS 12 2HD LYS 12 -9.941 -1.853 2.049 93 1HE LYS 12 1HE LYS 12 -10.215 0.051 0.158 94 2HE LYS 12 2HE LYS 12 -10.715 -1.367 -0.786 95 1HZ LYS 12 1HZ LYS 12 -12.192 -2.001 1.029 96 2HZ LYS 12 2HZ LYS 12 -11.741 -0.618 1.902 97 3HZ LYS 12 3HZ LYS 12 -12.591 -0.458 0.440 98 H LYS 13 H LYS 13 -4.948 -3.339 -0.747 99 HA LYS 13 HA LYS 13 -5.455 -4.778 -3.315 100 1HB LYS 13 1HB LYS 13 -3.729 -2.987 -3.602 101 2HB LYS 13 2HB LYS 13 -2.761 -3.771 -2.353 102 1HG LYS 13 1HG LYS 13 -1.840 -4.765 -4.226 103 2HG LYS 13 2HG LYS 13 -3.144 -5.907 -3.896 104 1HD LYS 13 1HD LYS 13 -4.112 -3.682 -5.482 105 2HD LYS 13 2HD LYS 13 -2.741 -4.462 -6.271 106 1HE LYS 13 1HE LYS 13 -4.735 -6.322 -5.098 107 2HE LYS 13 2HE LYS 13 -5.292 -5.384 -6.497 108 1HZ LYS 13 1HZ LYS 13 -2.711 -6.851 -6.381 109 2HZ LYS 13 2HZ LYS 13 -4.113 -7.447 -7.132 110 3HZ LYS 13 3HZ LYS 13 -3.358 -6.044 -7.725 111 H THR 14 H THR 14 -5.353 -6.969 -3.006 112 HA THR 14 HA THR 14 -4.179 -7.971 -0.439 113 HB THR 14 HB THR 14 -6.356 -8.886 -2.324 114 HG1 THR 14 HG1 THR 14 -6.109 -8.009 0.316 115 1HG2 THR 14 1HG2 THR 14 -4.932 -10.846 -1.752 116 2HG2 THR 14 2HG2 THR 14 -5.165 -10.486 -0.041 117 3HG2 THR 14 3HG2 THR 14 -6.542 -10.957 -1.039 118 H CYS 15 H CYS 15 -3.111 -10.161 -0.629 119 HA CYS 15 HA CYS 15 -2.021 -10.804 -3.326 120 1HB CYS 15 1HB CYS 15 0.286 -10.707 -2.358 121 2HB CYS 15 2HB CYS 15 -0.515 -9.135 -2.352 122 H TYR 16 H TYR 16 -1.302 -12.999 -3.463 123 HA TYR 16 HA TYR 16 -2.322 -14.773 -1.334 124 1HB TYR 16 1HB TYR 16 -1.565 -14.888 -4.181 125 2HB TYR 16 2HB TYR 16 -1.132 -16.335 -3.270 126 HD1 TYR 16 HD1 TYR 16 -3.963 -14.117 -2.401 127 HD2 TYR 16 HD2 TYR 16 -2.786 -17.815 -4.243 128 HE1 TYR 16 HE1 TYR 16 -6.331 -14.851 -2.436 129 HE2 TYR 16 HE2 TYR 16 -5.156 -18.551 -4.278 130 HH TYR 16 HH TYR 16 -7.494 -17.220 -4.296 131 H LYS 17 H LYS 17 0.787 -13.801 -2.743 132 HA LYS 17 HA LYS 17 2.266 -15.650 -0.958 133 1HB LYS 17 1HB LYS 17 2.973 -13.715 -3.177 134 2HB LYS 17 2HB LYS 17 4.206 -14.557 -2.238 135 1HG LYS 17 1HG LYS 17 2.008 -15.852 -3.877 136 2HG LYS 17 2HG LYS 17 3.728 -15.829 -4.268 137 1HD LYS 17 1HD LYS 17 4.060 -16.946 -1.953 138 2HD LYS 17 2HD LYS 17 2.332 -17.292 -2.031 139 1HE LYS 17 1HE LYS 17 2.705 -19.024 -3.442 140 2HE LYS 17 2HE LYS 17 3.597 -17.966 -4.554 141 1HZ LYS 17 1HZ LYS 17 4.692 -19.128 -2.046 142 2HZ LYS 17 2HZ LYS 17 5.033 -19.694 -3.611 143 3HZ LYS 17 3HZ LYS 17 5.537 -18.145 -3.143 144 H LEU 18 H LEU 18 2.189 -14.829 1.140 145 HA LEU 18 HA LEU 18 2.405 -11.964 1.696 146 1HB LEU 18 1HB LEU 18 2.530 -14.414 3.483 147 2HB LEU 18 2HB LEU 18 2.226 -12.760 4.015 148 HG LEU 18 HG LEU 18 0.489 -14.319 2.082 149 1HD1 LEU 18 1HD1 LEU 18 0.577 -14.167 4.988 150 2HD1 LEU 18 2HD1 LEU 18 -0.971 -13.604 4.358 151 3HD1 LEU 18 3HD1 LEU 18 -0.390 -15.219 3.955 152 1HD2 LEU 18 1HD2 LEU 18 0.760 -11.509 2.650 153 2HD2 LEU 18 2HD2 LEU 18 -0.346 -12.302 1.528 154 3HD2 LEU 18 3HD2 LEU 18 -0.818 -12.065 3.209 155 H GLY 19 H GLY 19 4.111 -11.331 3.446 156 1HA GLY 19 1HA GLY 19 6.380 -11.639 4.314 157 2HA GLY 19 2HA GLY 19 6.722 -12.676 2.930 158 H GLU 20 H GLU 20 8.614 -11.184 2.725 159 HA GLU 20 HA GLU 20 8.387 -8.415 2.081 160 1HB GLU 20 1HB GLU 20 10.357 -10.590 1.316 161 2HB GLU 20 2HB GLU 20 10.634 -8.879 0.986 162 1HG GLU 20 1HG GLU 20 11.509 -8.732 3.060 163 2HG GLU 20 2HG GLU 20 9.869 -8.942 3.672 164 H ASN 21 H ASN 21 6.324 -8.726 0.687 165 HA ASN 21 HA ASN 21 6.792 -9.744 -2.046 166 1HB ASN 21 1HB ASN 21 4.680 -9.885 -0.477 167 2HB ASN 21 2HB ASN 21 4.351 -8.266 -1.097 168 1HD2 ASN 21 2HD2 ASN 21 2.625 -10.460 -1.742 169 2HD2 ASN 21 1HD2 ASN 21 2.776 -10.791 -3.400 170 H ASP 22 H ASP 22 8.302 -8.222 -2.918 171 HA ASP 22 HA ASP 22 8.398 -5.465 -2.742 172 1HB ASP 22 1HB ASP 22 8.877 -7.467 -4.925 173 2HB ASP 22 2HB ASP 22 9.050 -5.750 -5.291 174 H PHE 23 H PHE 23 5.953 -7.391 -4.384 175 HA PHE 23 HA PHE 23 4.765 -5.705 -6.219 176 1HB PHE 23 1HB PHE 23 4.043 -7.992 -5.311 177 2HB PHE 23 2HB PHE 23 3.228 -7.111 -4.019 178 HD1 PHE 23 HD1 PHE 23 3.476 -7.287 -7.754 179 HD2 PHE 23 HD2 PHE 23 1.063 -6.264 -4.350 180 HE1 PHE 23 HE1 PHE 23 1.544 -6.867 -9.249 181 HE2 PHE 23 HE2 PHE 23 -0.868 -5.843 -5.846 182 HZ PHE 23 HZ PHE 23 -0.628 -6.145 -8.296 183 H CYS 24 H CYS 24 4.140 -5.613 -2.700 184 HA CYS 24 HA CYS 24 2.546 -3.215 -2.773 185 1HB CYS 24 1HB CYS 24 4.222 -4.353 -0.516 186 2HB CYS 24 2HB CYS 24 2.759 -3.378 -0.367 187 H ASN 25 H ASN 25 5.993 -3.834 -2.044 188 HA ASN 25 HA ASN 25 6.776 -1.184 -1.411 189 1HB ASN 25 1HB ASN 25 8.277 -3.010 -1.054 190 2HB ASN 25 2HB ASN 25 8.144 -3.542 -2.731 191 1HD2 ASN 25 2HD2 ASN 25 10.461 -3.316 -3.121 192 2HD2 ASN 25 1HD2 ASN 25 11.196 -1.790 -3.222 193 H ARG 26 H ARG 26 6.857 -2.854 -4.585 194 HA ARG 26 HA ARG 26 7.751 -0.780 -6.228 195 1HB ARG 26 1HB ARG 26 6.173 -3.227 -6.425 196 2HB ARG 26 2HB ARG 26 5.655 -2.032 -7.615 197 1HG ARG 26 1HG ARG 26 7.858 -1.851 -8.532 198 2HG ARG 26 2HG ARG 26 8.564 -2.748 -7.187 199 1HD ARG 26 1HD ARG 26 8.391 -4.285 -9.056 200 2HD ARG 26 2HD ARG 26 7.115 -4.729 -7.907 201 HE ARG 26 HE ARG 26 5.984 -2.776 -9.579 202 1HH1 ARG 26 1HH1 ARG 26 7.446 -5.889 -9.892 203 2HH1 ARG 26 2HH1 ARG 26 6.541 -6.314 -11.306 204 1HH2 ARG 26 1HH2 ARG 26 4.809 -3.316 -11.430 205 2HH2 ARG 26 2HH2 ARG 26 5.053 -4.859 -12.178 206 H GLU 27 H GLU 27 4.396 -1.393 -5.129 207 HA GLU 27 HA GLU 27 3.279 0.951 -6.416 208 1HB GLU 27 1HB GLU 27 2.490 -1.244 -4.632 209 2HB GLU 27 2HB GLU 27 1.645 0.262 -4.273 210 1HG GLU 27 1HG GLU 27 0.331 -0.019 -6.074 211 2HG GLU 27 2HG GLU 27 1.751 -0.072 -7.120 212 H CYS 28 H CYS 28 5.068 0.418 -3.495 213 HA CYS 28 HA CYS 28 4.097 2.700 -1.993 214 1HB CYS 28 1HB CYS 28 5.588 0.465 -1.509 215 2HB CYS 28 2HB CYS 28 6.853 1.693 -1.575 216 H LYS 29 H LYS 29 6.769 2.166 -4.275 217 HA LYS 29 HA LYS 29 8.089 4.685 -3.849 218 1HB LYS 29 1HB LYS 29 8.700 2.414 -5.099 219 2HB LYS 29 2HB LYS 29 8.082 3.289 -6.500 220 1HG LYS 29 1HG LYS 29 9.646 5.124 -6.085 221 2HG LYS 29 2HG LYS 29 10.234 4.319 -4.629 222 1HD LYS 29 1HD LYS 29 10.688 2.311 -6.263 223 2HD LYS 29 2HD LYS 29 10.647 3.564 -7.505 224 1HE LYS 29 1HE LYS 29 12.363 3.809 -5.017 225 2HE LYS 29 2HE LYS 29 12.960 3.099 -6.530 226 1HZ LYS 29 1HZ LYS 29 11.545 5.441 -7.145 227 2HZ LYS 29 2HZ LYS 29 12.651 5.816 -5.910 228 3HZ LYS 29 3HZ LYS 29 13.198 5.129 -7.363 229 H TRP 30 H TRP 30 6.328 3.757 -6.822 230 HA TRP 30 HA TRP 30 5.171 5.132 -8.363 231 1HB TRP 30 1HB TRP 30 4.072 5.246 -5.664 232 2HB TRP 30 2HB TRP 30 3.647 6.678 -6.601 233 HD1 TRP 30 HD1 TRP 30 1.904 3.863 -5.790 234 HE1 TRP 30 HE1 TRP 30 0.507 2.858 -7.708 235 HE3 TRP 30 HE3 TRP 30 4.179 6.075 -9.792 236 HZ2 TRP 30 HZ2 TRP 30 0.373 2.973 -10.564 237 HZ3 TRP 30 HZ3 TRP 30 3.398 5.611 -12.098 238 HH2 TRP 30 HH2 TRP 30 1.499 4.065 -12.489 239 H LYS 31 H LYS 31 5.030 7.638 -5.885 240 HA LYS 31 HA LYS 31 6.786 9.341 -7.624 241 1HB LYS 31 1HB LYS 31 4.365 9.950 -5.902 242 2HB LYS 31 2HB LYS 31 5.343 11.193 -6.683 243 1HG LYS 31 1HG LYS 31 4.186 8.907 -8.271 244 2HG LYS 31 2HG LYS 31 3.239 10.358 -7.944 245 1HD LYS 31 1HD LYS 31 5.029 11.744 -8.946 246 2HD LYS 31 2HD LYS 31 5.950 10.282 -9.297 247 1HE LYS 31 1HE LYS 31 4.007 9.461 -10.678 248 2HE LYS 31 2HE LYS 31 3.244 11.046 -10.445 249 1HZ LYS 31 1HZ LYS 31 5.228 12.101 -11.327 250 2HZ LYS 31 2HZ LYS 31 5.963 10.589 -11.556 251 3HZ LYS 31 3HZ LYS 31 4.590 11.012 -12.465 252 H HIS 32 H HIS 32 8.116 7.841 -5.707 253 HA HIS 32 HA HIS 32 9.396 7.989 -3.707 254 1HB HIS 32 1HB HIS 32 10.604 9.435 -5.200 255 2HB HIS 32 2HB HIS 32 9.429 10.734 -4.991 256 HD1 HIS 32 HD1 HIS 32 10.047 12.451 -3.298 257 HD2 HIS 32 HD2 HIS 32 11.960 8.822 -2.558 258 HE1 HIS 32 HE1 HIS 32 11.584 12.842 -1.325 259 H ILE 33 H ILE 33 6.939 7.869 -2.747 260 HA ILE 33 HA ILE 33 6.148 10.318 -1.312 261 HB ILE 33 HB ILE 33 5.123 7.461 -1.230 262 1HG1 ILE 33 1HG1 ILE 33 5.021 8.372 -3.496 263 2HG1 ILE 33 2HG1 ILE 33 3.396 8.329 -2.809 264 1HG2 ILE 33 1HG2 ILE 33 4.546 9.211 0.633 265 2HG2 ILE 33 2HG2 ILE 33 3.530 9.936 -0.615 266 3HG2 ILE 33 3HG2 ILE 33 3.243 8.273 -0.101 267 1HD1 ILE 33 1HD1 ILE 33 4.475 10.816 -2.042 268 2HD1 ILE 33 2HD1 ILE 33 4.913 10.609 -3.737 269 3HD1 ILE 33 3HD1 ILE 33 3.221 10.529 -3.248 270 H GLY 34 H GLY 34 7.956 7.390 -0.689 271 1HA GLY 34 1HA GLY 34 9.520 7.683 1.314 272 2HA GLY 34 2HA GLY 34 8.061 8.100 2.214 273 H GLY 35 H GLY 35 9.765 5.479 0.600 274 1HA GLY 35 1HA GLY 35 8.152 3.571 2.225 275 2HA GLY 35 2HA GLY 35 8.358 3.271 0.501 276 H SER 36 H SER 36 10.068 3.497 3.576 277 HA SER 36 HA SER 36 12.623 2.627 2.439 278 1HB SER 36 1HB SER 36 13.353 3.378 4.452 279 2HB SER 36 2HB SER 36 11.698 3.912 4.734 280 HG SER 36 HG SER 36 13.099 1.858 5.851 281 H TYR 37 H TYR 37 9.732 1.085 3.466 282 HA TYR 37 HA TYR 37 10.907 -1.569 3.006 283 1HB TYR 37 1HB TYR 37 11.399 -0.818 5.419 284 2HB TYR 37 2HB TYR 37 9.662 -0.966 5.697 285 HD1 TYR 37 HD1 TYR 37 12.636 -2.859 4.455 286 HD2 TYR 37 HD2 TYR 37 8.686 -3.069 6.135 287 HE1 TYR 37 HE1 TYR 37 12.885 -5.310 4.736 288 HE2 TYR 37 HE2 TYR 37 8.936 -5.520 6.414 289 HH TYR 37 HH TYR 37 12.001 -7.147 5.710 290 H GLY 38 H GLY 38 9.317 -2.271 1.602 291 1HA GLY 38 1HA GLY 38 6.489 -2.002 2.539 292 2HA GLY 38 2HA GLY 38 6.926 -1.741 0.853 293 H TYR 39 H TYR 39 5.279 -3.840 2.435 294 HA TYR 39 HA TYR 39 6.001 -6.093 0.702 295 1HB TYR 39 1HB TYR 39 6.651 -7.590 2.443 296 2HB TYR 39 2HB TYR 39 7.527 -6.100 2.780 297 HD1 TYR 39 HD1 TYR 39 6.236 -4.362 4.308 298 HD2 TYR 39 HD2 TYR 39 5.421 -8.574 4.164 299 HE1 TYR 39 HE1 TYR 39 5.171 -4.231 6.542 300 HE2 TYR 39 HE2 TYR 39 4.353 -8.446 6.399 301 HH TYR 39 HH TYR 39 4.767 -5.982 8.492 302 H CYS 40 H CYS 40 4.513 -8.088 1.946 303 HA CYS 40 HA CYS 40 1.788 -6.851 1.982 304 1HB CYS 40 1HB CYS 40 2.978 -8.969 0.550 305 2HB CYS 40 2HB CYS 40 1.875 -9.731 1.696 306 H TYR 41 H TYR 41 0.654 -6.929 3.856 307 HA TYR 41 HA TYR 41 1.392 -8.969 5.924 308 1HB TYR 41 1HB TYR 41 2.445 -7.046 6.739 309 2HB TYR 41 2HB TYR 41 1.251 -5.969 6.020 310 HD1 TYR 41 HD1 TYR 41 0.847 -8.963 8.243 311 HD2 TYR 41 HD2 TYR 41 0.289 -4.733 7.754 312 HE1 TYR 41 HE1 TYR 41 -0.379 -8.874 10.398 313 HE2 TYR 41 HE2 TYR 41 -0.937 -4.643 9.908 314 HH TYR 41 HH TYR 41 -0.777 -6.743 12.199 315 H GLY 42 H GLY 42 -0.444 -10.137 6.376 316 1HA GLY 42 1HA GLY 42 -2.707 -10.572 6.884 317 2HA GLY 42 2HA GLY 42 -2.984 -8.829 6.911 318 H PHE 43 H PHE 43 -1.867 -11.077 4.369 319 HA PHE 43 HA PHE 43 -2.518 -11.187 2.097 320 1HB PHE 43 1HB PHE 43 -4.989 -11.169 3.808 321 2HB PHE 43 2HB PHE 43 -5.158 -11.222 2.055 322 HD1 PHE 43 HD1 PHE 43 -2.633 -12.833 1.438 323 HD2 PHE 43 HD2 PHE 43 -5.733 -13.367 4.365 324 HE1 PHE 43 HE1 PHE 43 -2.178 -15.264 1.474 325 HE2 PHE 43 HE2 PHE 43 -5.278 -15.804 4.396 326 HZ PHE 43 HZ PHE 43 -3.501 -16.752 2.950 327 H GLY 44 H GLY 44 -1.840 -8.534 3.011 328 1HA GLY 44 1HA GLY 44 -3.282 -6.984 0.964 329 2HA GLY 44 2HA GLY 44 -3.427 -6.380 2.615 330 H CYS 45 H CYS 45 -2.147 -4.860 0.596 331 HA CYS 45 HA CYS 45 0.756 -5.246 0.903 332 1HB CYS 45 1HB CYS 45 -1.134 -3.554 -0.673 333 2HB CYS 45 2HB CYS 45 0.510 -2.950 -0.456 334 H TYR 46 H TYR 46 1.832 -4.411 2.628 335 HA TYR 46 HA TYR 46 0.733 -1.944 3.933 336 1HB TYR 46 1HB TYR 46 0.724 -4.363 5.007 337 2HB TYR 46 2HB TYR 46 2.418 -3.995 5.325 338 HD1 TYR 46 HD1 TYR 46 -0.774 -2.024 5.388 339 HD2 TYR 46 HD2 TYR 46 2.761 -3.232 7.509 340 HE1 TYR 46 HE1 TYR 46 -1.447 -0.613 7.312 341 HE2 TYR 46 HE2 TYR 46 2.084 -1.821 9.434 342 HH TYR 46 HH TYR 46 0.146 -0.806 10.376 343 H CYS 47 H CYS 47 2.232 -0.296 4.321 344 HA CYS 47 HA CYS 47 5.091 -0.849 3.579 345 1HB CYS 47 1HB CYS 47 3.087 1.000 2.545 346 2HB CYS 47 2HB CYS 47 4.532 1.853 3.088 347 H GLU 48 H GLU 48 6.617 0.729 4.618 348 HA GLU 48 HA GLU 48 5.554 1.821 7.202 349 1HB GLU 48 1HB GLU 48 8.047 0.198 6.609 350 2HB GLU 48 2HB GLU 48 7.771 1.024 8.145 351 1HG GLU 48 1HG GLU 48 5.404 -0.291 7.863 352 2HG GLU 48 2HG GLU 48 6.498 -1.422 7.065 353 H GLY 49 H GLY 49 5.958 3.985 7.304 354 1HA GLY 49 1HA GLY 49 7.878 5.658 7.365 355 2HA GLY 49 2HA GLY 49 8.282 5.057 5.755 356 H LEU 50 H LEU 50 5.081 4.861 5.660 357 HA LEU 50 HA LEU 50 4.556 6.912 3.862 358 1HB LEU 50 1HB LEU 50 2.791 5.646 5.981 359 2HB LEU 50 2HB LEU 50 2.182 6.558 4.605 360 HG LEU 50 HG LEU 50 2.076 4.487 3.655 361 1HD1 LEU 50 1HD1 LEU 50 5.045 5.014 3.383 362 2HD1 LEU 50 2HD1 LEU 50 4.121 3.882 2.394 363 3HD1 LEU 50 3HD1 LEU 50 3.780 5.611 2.308 364 1HD2 LEU 50 1HD2 LEU 50 3.139 3.657 5.989 365 2HD2 LEU 50 2HD2 LEU 50 2.877 2.578 4.618 366 3HD2 LEU 50 3HD2 LEU 50 4.474 3.272 4.902 367 HA PRO 51 HA PRO 51 5.280 10.401 6.696 368 1HB PRO 51 1HB PRO 51 4.380 12.049 4.478 369 2HB PRO 51 2HB PRO 51 6.004 11.913 5.160 370 1HG PRO 51 1HG PRO 51 5.078 10.880 2.664 371 2HG PRO 51 2HG PRO 51 6.676 10.675 3.387 372 1HD PRO 51 1HD PRO 51 4.625 8.681 3.053 373 2HD PRO 51 2HD PRO 51 6.223 8.483 3.817 374 H ASP 52 H ASP 52 3.766 11.934 7.688 375 HA ASP 52 HA ASP 52 1.173 11.072 8.183 376 1HB ASP 52 1HB ASP 52 2.508 13.773 8.131 377 2HB ASP 52 2HB ASP 52 0.829 13.611 8.645 378 H SER 53 H SER 53 2.287 12.986 5.410 379 HA SER 53 HA SER 53 -0.514 13.309 4.462 380 1HB SER 53 1HB SER 53 0.358 15.089 3.239 381 2HB SER 53 2HB SER 53 1.448 15.069 4.618 382 HG SER 53 HG SER 53 2.957 14.775 3.193 383 H THR 54 H THR 54 0.696 10.617 4.359 384 HA THR 54 HA THR 54 1.534 10.177 1.577 385 HB THR 54 HB THR 54 0.741 8.213 3.751 386 HG1 THR 54 HG1 THR 54 2.389 9.494 4.487 387 1HG2 THR 54 1HG2 THR 54 1.623 7.932 1.015 388 2HG2 THR 54 2HG2 THR 54 2.815 7.235 2.111 389 3HG2 THR 54 3HG2 THR 54 1.143 6.680 2.158 390 H GLN 55 H GLN 55 0.279 9.130 -0.021 391 HA GLN 55 HA GLN 55 -2.626 9.505 0.196 392 1HB GLN 55 1HB GLN 55 -2.538 8.895 -2.184 393 2HB GLN 55 2HB GLN 55 -1.268 10.061 -1.814 394 1HG GLN 55 1HG GLN 55 -0.145 8.423 -3.085 395 2HG GLN 55 2HG GLN 55 0.238 7.976 -1.424 396 1HE2 GLN 55 2HE2 GLN 55 -0.011 5.775 -1.058 397 2HE2 GLN 55 1HE2 GLN 55 -1.142 4.775 -1.835 398 H THR 56 H THR 56 -1.033 7.241 1.684 399 HA THR 56 HA THR 56 -1.895 4.749 0.518 400 HB THR 56 HB THR 56 -0.029 5.110 2.155 401 HG1 THR 56 HG1 THR 56 -0.304 3.108 2.657 402 1HG2 THR 56 1HG2 THR 56 -2.378 5.674 3.960 403 2HG2 THR 56 2HG2 THR 56 -0.823 5.140 4.599 404 3HG2 THR 56 3HG2 THR 56 -0.936 6.657 3.706 405 H TRP 57 H TRP 57 -3.313 3.237 1.913 406 HA TRP 57 HA TRP 57 -6.000 4.362 2.106 407 1HB TRP 57 1HB TRP 57 -5.053 2.016 1.368 408 2HB TRP 57 2HB TRP 57 -5.095 1.661 3.092 409 HD1 TRP 57 HD1 TRP 57 -7.407 2.600 0.179 410 HE1 TRP 57 HE1 TRP 57 -9.815 1.905 0.792 411 HE3 TRP 57 HE3 TRP 57 -6.692 1.108 5.010 412 HZ2 TRP 57 HZ2 TRP 57 -11.246 0.851 3.033 413 HZ3 TRP 57 HZ3 TRP 57 -8.592 0.263 6.359 414 HH2 TRP 57 HH2 TRP 57 -10.866 0.132 5.378 415 HA PRO 58 HA PRO 58 -7.745 4.015 2.933 416 1HB PRO 58 1HB PRO 58 -9.514 5.323 4.637 417 2HB PRO 58 2HB PRO 58 -9.325 3.569 4.520 418 1HG PRO 58 1HG PRO 58 -8.564 5.339 6.709 419 2HG PRO 58 2HG PRO 58 -8.607 3.573 6.676 420 1HD PRO 58 1HD PRO 58 -6.288 5.316 6.503 421 2HD PRO 58 2HD PRO 58 -6.327 3.536 6.565 422 H LEU 59 H LEU 59 -8.967 5.829 1.900 423 HA LEU 59 HA LEU 59 -7.433 8.378 1.992 424 1HB LEU 59 1HB LEU 59 -8.907 6.777 0.063 425 2HB LEU 59 2HB LEU 59 -9.469 8.449 0.045 426 HG LEU 59 HG LEU 59 -7.140 9.229 -0.213 427 1HD1 LEU 59 1HD1 LEU 59 -6.183 7.187 0.977 428 2HD1 LEU 59 2HD1 LEU 59 -6.405 6.311 -0.539 429 3HD1 LEU 59 3HD1 LEU 59 -5.315 7.696 -0.472 430 1HD2 LEU 59 1HD2 LEU 59 -8.597 8.623 -2.199 431 2HD2 LEU 59 2HD2 LEU 59 -6.865 8.560 -2.516 432 3HD2 LEU 59 3HD2 LEU 59 -7.767 7.070 -2.247 433 HA PRO 60 HA PRO 60 -10.460 10.946 3.904 434 1HB PRO 60 1HB PRO 60 -11.395 12.260 1.472 435 2HB PRO 60 2HB PRO 60 -10.428 12.924 2.792 436 1HG PRO 60 1HG PRO 60 -9.519 12.258 0.186 437 2HG PRO 60 2HG PRO 60 -8.531 12.750 1.564 438 1HD PRO 60 1HD PRO 60 -8.682 10.138 0.334 439 2HD PRO 60 2HD PRO 60 -7.676 10.642 1.716 440 H ASN 61 H ASN 61 -12.974 11.788 3.283 441 HA ASN 61 HA ASN 61 -14.658 9.568 3.526 442 1HB ASN 61 1HB ASN 61 -16.415 11.134 3.046 443 2HB ASN 61 2HB ASN 61 -15.123 12.067 3.802 444 1HD2 ASN 61 2HD2 ASN 61 -16.367 11.141 0.557 445 2HD2 ASN 61 1HD2 ASN 61 -15.849 12.560 -0.216 446 H LYS 62 H LYS 62 -13.139 10.874 0.683 447 HA LYS 62 HA LYS 62 -14.855 9.438 -1.222 448 1HB LYS 62 1HB LYS 62 -13.389 11.671 -1.359 449 2HB LYS 62 2HB LYS 62 -12.152 10.533 -1.892 450 1HG LYS 62 1HG LYS 62 -13.075 10.555 -3.943 451 2HG LYS 62 2HG LYS 62 -14.526 9.821 -3.259 452 1HD LYS 62 1HD LYS 62 -14.958 12.356 -2.494 453 2HD LYS 62 2HD LYS 62 -13.983 12.673 -3.928 454 1HE LYS 62 1HE LYS 62 -15.699 12.120 -5.304 455 2HE LYS 62 2HE LYS 62 -15.986 10.604 -4.428 456 1HZ LYS 62 1HZ LYS 62 -16.654 12.984 -2.936 457 2HZ LYS 62 2HZ LYS 62 -17.610 12.756 -4.319 458 3HZ LYS 62 3HZ LYS 62 -17.534 11.543 -3.133 459 H THR 63 H THR 63 -14.111 7.455 0.399 460 HA THR 63 HA THR 63 -11.553 6.247 -0.449 461 HB THR 63 HB THR 63 -13.650 4.898 1.219 462 HG1 THR 63 HG1 THR 63 -12.386 6.293 2.905 463 1HG2 THR 63 1HG2 THR 63 -10.697 4.932 0.919 464 2HG2 THR 63 2HG2 THR 63 -11.313 4.716 2.557 465 3HG2 THR 63 3HG2 THR 63 -11.776 3.587 1.286 466 H CYS 64 H CYS 64 -12.078 3.601 -0.620 467 HA CYS 64 HA CYS 64 -13.611 3.386 -3.151 468 1HB CYS 64 1HB CYS 64 -11.289 2.517 -2.901 469 2HB CYS 64 2HB CYS 64 -11.854 1.423 -1.638 Start of MODEL 25 1 1H LYS 1 1H LYS 1 4.852 7.874 7.640 2 2H LYS 1 2H LYS 1 3.396 8.674 7.296 3 3H LYS 1 3H LYS 1 4.381 9.214 8.572 4 HA LYS 1 HA LYS 1 3.841 7.421 9.939 5 1HB LYS 1 1HB LYS 1 1.495 7.731 10.095 6 2HB LYS 1 2HB LYS 1 2.059 9.186 9.276 7 1HG LYS 1 1HG LYS 1 1.607 7.307 7.226 8 2HG LYS 1 2HG LYS 1 0.232 7.152 8.319 9 1HD LYS 1 1HD LYS 1 -0.536 9.257 7.867 10 2HD LYS 1 2HD LYS 1 1.089 9.924 7.705 11 1HE LYS 1 1HE LYS 1 1.220 8.529 5.511 12 2HE LYS 1 2HE LYS 1 -0.549 8.451 5.640 13 1HZ LYS 1 1HZ LYS 1 -0.374 10.947 6.104 14 2HZ LYS 1 2HZ LYS 1 1.181 10.838 5.427 15 3HZ LYS 1 3HZ LYS 1 -0.184 10.429 4.500 16 H ASP 2 H ASP 2 1.721 5.596 9.629 17 HA ASP 2 HA ASP 2 2.819 3.705 7.571 18 1HB ASP 2 1HB ASP 2 1.424 3.001 10.166 19 2HB ASP 2 2HB ASP 2 2.447 1.964 9.171 20 H GLY 3 H GLY 3 1.302 2.865 6.139 21 1HA GLY 3 1HA GLY 3 -1.549 2.839 6.840 22 2HA GLY 3 2HA GLY 3 -1.124 3.967 5.553 23 H TYR 4 H TYR 4 -2.818 2.046 4.794 24 HA TYR 4 HA TYR 4 -1.235 -0.184 3.610 25 1HB TYR 4 1HB TYR 4 -4.128 0.388 4.203 26 2HB TYR 4 2HB TYR 4 -3.704 -0.862 3.033 27 HD1 TYR 4 HD1 TYR 4 -2.416 -2.848 3.714 28 HD2 TYR 4 HD2 TYR 4 -3.634 0.125 6.566 29 HE1 TYR 4 HE1 TYR 4 -1.911 -4.419 5.566 30 HE2 TYR 4 HE2 TYR 4 -3.131 -1.446 8.418 31 HH TYR 4 HH TYR 4 -2.958 -4.505 8.236 32 H LEU 5 H LEU 5 -0.545 0.091 1.537 33 HA LEU 5 HA LEU 5 -1.132 2.276 -0.147 34 1HB LEU 5 1HB LEU 5 0.243 -0.263 -0.209 35 2HB LEU 5 2HB LEU 5 -0.566 0.015 -1.751 36 HG LEU 5 HG LEU 5 1.063 2.185 -0.438 37 1HD1 LEU 5 1HD1 LEU 5 2.316 -0.071 -0.845 38 2HD1 LEU 5 2HD1 LEU 5 2.177 0.355 -2.551 39 3HD1 LEU 5 3HD1 LEU 5 3.038 1.422 -1.442 40 1HD2 LEU 5 1HD2 LEU 5 0.064 1.564 -3.225 41 2HD2 LEU 5 2HD2 LEU 5 -0.290 2.979 -2.235 42 3HD2 LEU 5 3HD2 LEU 5 1.318 2.768 -2.926 43 H VAL 6 H VAL 6 -2.565 2.505 -1.935 44 HA VAL 6 HA VAL 6 -4.905 0.629 -1.911 45 HB VAL 6 HB VAL 6 -6.196 2.575 -2.601 46 1HG1 VAL 6 1HG1 VAL 6 -4.633 2.462 -0.183 47 2HG1 VAL 6 2HG1 VAL 6 -4.872 4.145 -0.651 48 3HG1 VAL 6 3HG1 VAL 6 -6.265 3.090 -0.413 49 1HG2 VAL 6 1HG2 VAL 6 -4.300 3.486 -4.039 50 2HG2 VAL 6 2HG2 VAL 6 -5.193 4.695 -3.116 51 3HG2 VAL 6 3HG2 VAL 6 -3.610 4.152 -2.558 52 H GLU 7 H GLU 7 -6.065 1.258 -4.287 53 HA GLU 7 HA GLU 7 -3.949 0.630 -6.324 54 1HB GLU 7 1HB GLU 7 -6.475 -0.638 -5.516 55 2HB GLU 7 2HB GLU 7 -6.345 -0.398 -7.258 56 1HG GLU 7 1HG GLU 7 -4.161 -1.662 -5.585 57 2HG GLU 7 2HG GLU 7 -5.398 -2.593 -6.430 58 H LYS 8 H LYS 8 -4.639 1.293 -8.589 59 HA LYS 8 HA LYS 8 -5.175 3.989 -8.917 60 1HB LYS 8 1HB LYS 8 -5.708 3.409 -11.198 61 2HB LYS 8 2HB LYS 8 -4.541 2.214 -10.631 62 1HG LYS 8 1HG LYS 8 -6.381 0.651 -10.121 63 2HG LYS 8 2HG LYS 8 -7.551 1.844 -10.686 64 1HD LYS 8 1HD LYS 8 -6.545 1.792 -12.931 65 2HD LYS 8 2HD LYS 8 -5.348 0.620 -12.375 66 1HE LYS 8 1HE LYS 8 -6.878 -0.907 -13.160 67 2HE LYS 8 2HE LYS 8 -7.673 -0.609 -11.601 68 1HZ LYS 8 1HZ LYS 8 -8.818 1.296 -12.671 69 2HZ LYS 8 2HZ LYS 8 -8.186 0.801 -14.165 70 3HZ LYS 8 3HZ LYS 8 -9.262 -0.210 -13.323 71 H THR 9 H THR 9 -7.520 1.384 -8.428 72 HA THR 9 HA THR 9 -9.837 3.162 -8.792 73 HB THR 9 HB THR 9 -11.002 1.011 -8.049 74 HG1 THR 9 HG1 THR 9 -9.784 -0.697 -7.595 75 1HG2 THR 9 1HG2 THR 9 -10.094 1.742 -10.466 76 2HG2 THR 9 2HG2 THR 9 -9.137 0.277 -10.250 77 3HG2 THR 9 3HG2 THR 9 -10.898 0.196 -10.193 78 H GLY 10 H GLY 10 -7.896 1.838 -6.182 79 1HA GLY 10 1HA GLY 10 -7.914 3.279 -4.095 80 2HA GLY 10 2HA GLY 10 -9.674 3.223 -4.213 81 H CYS 11 H CYS 11 -9.412 0.341 -5.174 82 HA CYS 11 HA CYS 11 -9.927 -0.980 -2.714 83 1HB CYS 11 1HB CYS 11 -9.238 -1.741 -5.529 84 2HB CYS 11 2HB CYS 11 -9.254 -3.007 -4.301 85 H LYS 12 H LYS 12 -8.593 -2.521 -1.547 86 HA LYS 12 HA LYS 12 -5.856 -1.683 -1.135 87 1HB LYS 12 1HB LYS 12 -7.857 -3.301 0.078 88 2HB LYS 12 2HB LYS 12 -6.425 -4.306 -0.116 89 1HG LYS 12 1HG LYS 12 -5.123 -2.960 1.257 90 2HG LYS 12 2HG LYS 12 -6.096 -1.522 0.941 91 1HD LYS 12 1HD LYS 12 -7.885 -2.328 2.332 92 2HD LYS 12 2HD LYS 12 -7.126 -3.913 2.484 93 1HE LYS 12 1HE LYS 12 -5.252 -1.875 3.313 94 2HE LYS 12 2HE LYS 12 -6.773 -1.702 4.212 95 1HZ LYS 12 1HZ LYS 12 -5.822 -4.416 3.744 96 2HZ LYS 12 2HZ LYS 12 -4.942 -3.495 4.868 97 3HZ LYS 12 3HZ LYS 12 -6.603 -3.762 5.098 98 H LYS 13 H LYS 13 -4.513 -4.086 -0.843 99 HA LYS 13 HA LYS 13 -4.523 -5.440 -3.492 100 1HB LYS 13 1HB LYS 13 -3.029 -3.290 -3.303 101 2HB LYS 13 2HB LYS 13 -1.964 -4.328 -2.354 102 1HG LYS 13 1HG LYS 13 -1.095 -4.965 -4.346 103 2HG LYS 13 2HG LYS 13 -2.566 -5.920 -4.527 104 1HD LYS 13 1HD LYS 13 -3.135 -3.199 -5.248 105 2HD LYS 13 2HD LYS 13 -1.707 -3.738 -6.132 106 1HE LYS 13 1HE LYS 13 -3.962 -5.679 -5.988 107 2HE LYS 13 2HE LYS 13 -4.203 -4.251 -7.015 108 1HZ LYS 13 1HZ LYS 13 -1.853 -4.717 -7.831 109 2HZ LYS 13 2HZ LYS 13 -2.036 -6.261 -7.145 110 3HZ LYS 13 3HZ LYS 13 -3.079 -5.757 -8.383 111 H THR 14 H THR 14 -5.349 -6.639 -1.187 112 HA THR 14 HA THR 14 -3.646 -7.806 0.644 113 HB THR 14 HB THR 14 -5.938 -8.959 -0.959 114 HG1 THR 14 HG1 THR 14 -6.298 -7.159 0.451 115 1HG2 THR 14 1HG2 THR 14 -4.528 -10.067 1.480 116 2HG2 THR 14 2HG2 THR 14 -6.098 -10.632 0.906 117 3HG2 THR 14 3HG2 THR 14 -4.665 -10.833 -0.102 118 H CYS 15 H CYS 15 -2.703 -10.047 0.661 119 HA CYS 15 HA CYS 15 -1.846 -11.103 -1.977 120 1HB CYS 15 1HB CYS 15 0.478 -10.797 -1.506 121 2HB CYS 15 2HB CYS 15 -0.282 -9.260 -1.099 122 H TYR 16 H TYR 16 -1.254 -13.336 -1.838 123 HA TYR 16 HA TYR 16 -2.230 -14.721 0.569 124 1HB TYR 16 1HB TYR 16 -1.327 -15.421 -2.209 125 2HB TYR 16 2HB TYR 16 -1.458 -16.698 -0.999 126 HD1 TYR 16 HD1 TYR 16 -3.369 -13.890 -2.564 127 HD2 TYR 16 HD2 TYR 16 -3.552 -17.630 -0.456 128 HE1 TYR 16 HE1 TYR 16 -5.826 -13.955 -2.892 129 HE2 TYR 16 HE2 TYR 16 -6.009 -17.695 -0.787 130 HH TYR 16 HH TYR 16 -7.816 -16.444 -1.376 131 H LYS 17 H LYS 17 0.834 -13.704 -0.700 132 HA LYS 17 HA LYS 17 2.289 -15.645 1.045 133 1HB LYS 17 1HB LYS 17 2.632 -14.833 -1.561 134 2HB LYS 17 2HB LYS 17 3.787 -13.807 -0.709 135 1HG LYS 17 1HG LYS 17 4.053 -16.371 0.437 136 2HG LYS 17 2HG LYS 17 3.969 -16.630 -1.306 137 1HD LYS 17 1HD LYS 17 5.633 -14.335 -0.703 138 2HD LYS 17 2HD LYS 17 6.209 -15.763 0.160 139 1HE LYS 17 1HE LYS 17 5.739 -16.893 -2.245 140 2HE LYS 17 2HE LYS 17 6.116 -15.241 -2.771 141 1HZ LYS 17 1HZ LYS 17 7.994 -15.462 -1.009 142 2HZ LYS 17 2HZ LYS 17 7.784 -17.131 -1.252 143 3HZ LYS 17 3HZ LYS 17 8.213 -16.127 -2.554 144 H LEU 18 H LEU 18 2.169 -14.659 3.104 145 HA LEU 18 HA LEU 18 2.531 -11.825 3.557 146 1HB LEU 18 1HB LEU 18 2.460 -14.363 5.169 147 2HB LEU 18 2HB LEU 18 2.947 -12.858 5.950 148 HG LEU 18 HG LEU 18 0.364 -13.299 4.425 149 1HD1 LEU 18 1HD1 LEU 18 0.851 -14.262 6.866 150 2HD1 LEU 18 2HD1 LEU 18 0.500 -12.596 7.326 151 3HD1 LEU 18 3HD1 LEU 18 -0.707 -13.544 6.456 152 1HD2 LEU 18 1HD2 LEU 18 1.827 -10.926 5.063 153 2HD2 LEU 18 2HD2 LEU 18 0.234 -11.054 4.319 154 3HD2 LEU 18 3HD2 LEU 18 0.383 -10.964 6.074 155 H GLY 19 H GLY 19 4.412 -10.930 4.799 156 1HA GLY 19 1HA GLY 19 6.739 -11.025 5.479 157 2HA GLY 19 2HA GLY 19 6.941 -12.452 4.463 158 H GLU 20 H GLU 20 8.849 -11.158 3.700 159 HA GLU 20 HA GLU 20 8.746 -8.726 2.292 160 1HB GLU 20 1HB GLU 20 10.582 -10.677 2.855 161 2HB GLU 20 2HB GLU 20 10.391 -10.884 1.113 162 1HG GLU 20 1HG GLU 20 10.515 -8.123 1.434 163 2HG GLU 20 2HG GLU 20 11.702 -8.730 2.588 164 H ASN 21 H ASN 21 6.683 -8.696 1.157 165 HA ASN 21 HA ASN 21 6.326 -10.620 -1.072 166 1HB ASN 21 1HB ASN 21 4.539 -9.832 0.595 167 2HB ASN 21 2HB ASN 21 4.575 -8.290 -0.260 168 1HD2 ASN 21 2HD2 ASN 21 2.758 -10.999 -0.149 169 2HD2 ASN 21 1HD2 ASN 21 2.288 -11.127 -1.775 170 H ASP 22 H ASP 22 7.943 -9.939 -2.546 171 HA ASP 22 HA ASP 22 8.866 -7.521 -3.387 172 1HB ASP 22 1HB ASP 22 8.501 -10.130 -4.457 173 2HB ASP 22 2HB ASP 22 8.031 -8.991 -5.719 174 H PHE 23 H PHE 23 5.681 -8.852 -4.324 175 HA PHE 23 HA PHE 23 4.821 -6.877 -6.116 176 1HB PHE 23 1HB PHE 23 3.767 -9.084 -5.031 177 2HB PHE 23 2HB PHE 23 2.935 -7.894 -4.029 178 HD1 PHE 23 HD1 PHE 23 1.429 -6.223 -5.036 179 HD2 PHE 23 HD2 PHE 23 3.322 -9.258 -7.413 180 HE1 PHE 23 HE1 PHE 23 -0.141 -5.745 -6.896 181 HE2 PHE 23 HE2 PHE 23 1.753 -8.782 -9.272 182 HZ PHE 23 HZ PHE 23 0.021 -7.025 -9.014 183 H CYS 24 H CYS 24 4.036 -6.878 -2.602 184 HA CYS 24 HA CYS 24 2.957 -4.296 -2.429 185 1HB CYS 24 1HB CYS 24 4.725 -5.795 -0.465 186 2HB CYS 24 2HB CYS 24 3.648 -4.465 -0.048 187 H ASN 25 H ASN 25 6.385 -5.274 -2.337 188 HA ASN 25 HA ASN 25 7.502 -2.723 -1.698 189 1HB ASN 25 1HB ASN 25 8.315 -5.357 -2.571 190 2HB ASN 25 2HB ASN 25 9.235 -4.130 -3.442 191 1HD2 ASN 25 2HD2 ASN 25 9.126 -5.868 -0.532 192 2HD2 ASN 25 1HD2 ASN 25 10.147 -4.875 0.390 193 H ARG 26 H ARG 26 6.892 -4.273 -4.865 194 HA ARG 26 HA ARG 26 7.879 -2.234 -6.550 195 1HB ARG 26 1HB ARG 26 5.813 -4.396 -6.676 196 2HB ARG 26 2HB ARG 26 5.860 -3.226 -7.995 197 1HG ARG 26 1HG ARG 26 8.489 -3.750 -7.827 198 2HG ARG 26 2HG ARG 26 7.868 -5.284 -7.216 199 1HD ARG 26 1HD ARG 26 6.638 -4.138 -9.705 200 2HD ARG 26 2HD ARG 26 8.206 -4.961 -9.821 201 HE ARG 26 HE ARG 26 6.642 -6.631 -8.223 202 1HH1 ARG 26 1HH1 ARG 26 6.423 -5.211 -11.365 203 2HH1 ARG 26 2HH1 ARG 26 5.503 -6.518 -12.031 204 1HH2 ARG 26 1HH2 ARG 26 5.437 -8.334 -9.080 205 2HH2 ARG 26 2HH2 ARG 26 4.941 -8.281 -10.738 206 H GLU 27 H GLU 27 4.805 -2.459 -4.804 207 HA GLU 27 HA GLU 27 3.580 -0.190 -6.172 208 1HB GLU 27 1HB GLU 27 2.928 -1.595 -3.561 209 2HB GLU 27 2HB GLU 27 1.831 -0.579 -4.494 210 1HG GLU 27 1HG GLU 27 3.135 -3.056 -5.638 211 2HG GLU 27 2HG GLU 27 1.557 -3.083 -4.849 212 H CYS 28 H CYS 28 5.109 -0.702 -2.980 213 HA CYS 28 HA CYS 28 4.700 1.989 -2.031 214 1HB CYS 28 1HB CYS 28 5.423 -0.385 -0.965 215 2HB CYS 28 2HB CYS 28 7.014 0.364 -1.104 216 H LYS 29 H LYS 29 7.098 0.547 -4.133 217 HA LYS 29 HA LYS 29 9.063 2.692 -3.753 218 1HB LYS 29 1HB LYS 29 9.755 0.424 -4.290 219 2HB LYS 29 2HB LYS 29 8.752 0.425 -5.742 220 1HG LYS 29 1HG LYS 29 10.232 1.699 -6.929 221 2HG LYS 29 2HG LYS 29 10.695 2.653 -5.520 222 1HD LYS 29 1HD LYS 29 12.565 1.420 -5.336 223 2HD LYS 29 2HD LYS 29 11.566 0.001 -5.022 224 1HE LYS 29 1HE LYS 29 12.988 -0.475 -6.950 225 2HE LYS 29 2HE LYS 29 11.325 -0.273 -7.535 226 1HZ LYS 29 1HZ LYS 29 12.092 2.240 -7.553 227 2HZ LYS 29 2HZ LYS 29 13.615 1.526 -7.792 228 3HZ LYS 29 3HZ LYS 29 12.350 1.221 -8.885 229 H TRP 30 H TRP 30 6.105 2.778 -5.147 230 HA TRP 30 HA TRP 30 6.265 3.706 -7.759 231 1HB TRP 30 1HB TRP 30 4.513 3.894 -5.500 232 2HB TRP 30 2HB TRP 30 4.588 5.480 -6.268 233 HD1 TRP 30 HD1 TRP 30 2.370 2.827 -6.386 234 HE1 TRP 30 HE1 TRP 30 1.373 2.385 -8.721 235 HE3 TRP 30 HE3 TRP 30 5.732 5.364 -9.276 236 HZ2 TRP 30 HZ2 TRP 30 1.929 3.020 -11.453 237 HZ3 TRP 30 HZ3 TRP 30 5.474 5.429 -11.740 238 HH2 TRP 30 HH2 TRP 30 3.579 4.261 -12.831 239 H LYS 31 H LYS 31 8.223 4.849 -8.200 240 HA LYS 31 HA LYS 31 9.670 6.721 -8.270 241 1HB LYS 31 1HB LYS 31 6.957 7.439 -8.534 242 2HB LYS 31 2HB LYS 31 7.657 8.645 -7.453 243 1HG LYS 31 1HG LYS 31 9.613 8.377 -9.379 244 2HG LYS 31 2HG LYS 31 8.130 8.205 -10.318 245 1HD LYS 31 1HD LYS 31 7.645 10.316 -8.516 246 2HD LYS 31 2HD LYS 31 9.268 10.591 -9.151 247 1HE LYS 31 1HE LYS 31 8.006 11.616 -10.823 248 2HE LYS 31 2HE LYS 31 8.063 9.963 -11.464 249 1HZ LYS 31 1HZ LYS 31 6.027 10.167 -9.513 250 2HZ LYS 31 2HZ LYS 31 5.804 11.381 -10.681 251 3HZ LYS 31 3HZ LYS 31 5.887 9.752 -11.152 252 H HIS 32 H HIS 32 10.187 8.849 -6.856 253 HA HIS 32 HA HIS 32 10.809 7.890 -4.169 254 1HB HIS 32 1HB HIS 32 11.610 9.929 -6.042 255 2HB HIS 32 2HB HIS 32 11.319 10.666 -4.467 256 HD1 HIS 32 HD1 HIS 32 12.796 9.868 -2.474 257 HD2 HIS 32 HD2 HIS 32 13.800 8.121 -6.124 258 HE1 HIS 32 HE1 HIS 32 15.046 8.754 -2.141 259 H ILE 33 H ILE 33 8.715 7.672 -3.138 260 HA ILE 33 HA ILE 33 7.060 10.127 -2.879 261 HB ILE 33 HB ILE 33 6.763 7.185 -2.277 262 1HG1 ILE 33 1HG1 ILE 33 6.295 7.932 -4.558 263 2HG1 ILE 33 2HG1 ILE 33 4.782 7.492 -3.766 264 1HG2 ILE 33 1HG2 ILE 33 5.436 9.446 -0.950 265 2HG2 ILE 33 2HG2 ILE 33 4.310 8.302 -1.680 266 3HG2 ILE 33 3HG2 ILE 33 5.486 7.745 -0.490 267 1HD1 ILE 33 1HD1 ILE 33 4.732 10.036 -3.090 268 2HD1 ILE 33 2HD1 ILE 33 5.835 10.218 -4.455 269 3HD1 ILE 33 3HD1 ILE 33 4.222 9.551 -4.708 270 H GLY 34 H GLY 34 8.914 7.831 -0.882 271 1HA GLY 34 1HA GLY 34 10.196 9.007 0.987 272 2HA GLY 34 2HA GLY 34 8.648 9.747 1.397 273 H GLY 35 H GLY 35 8.949 6.411 0.328 274 1HA GLY 35 1HA GLY 35 7.892 5.567 2.980 275 2HA GLY 35 2HA GLY 35 7.772 4.626 1.492 276 H SER 36 H SER 36 9.345 4.722 4.383 277 HA SER 36 HA SER 36 12.011 3.883 3.454 278 1HB SER 36 1HB SER 36 11.595 3.370 6.218 279 2HB SER 36 2HB SER 36 12.463 4.721 5.497 280 HG SER 36 HG SER 36 10.846 5.954 6.001 281 H TYR 37 H TYR 37 9.048 2.328 3.683 282 HA TYR 37 HA TYR 37 10.281 -0.311 3.457 283 1HB TYR 37 1HB TYR 37 9.942 0.655 6.003 284 2HB TYR 37 2HB TYR 37 8.430 -0.221 5.759 285 HD1 TYR 37 HD1 TYR 37 11.895 -0.870 4.483 286 HD2 TYR 37 HD2 TYR 37 8.615 -2.276 6.876 287 HE1 TYR 37 HE1 TYR 37 13.083 -3.016 4.849 288 HE2 TYR 37 HE2 TYR 37 9.803 -4.423 7.243 289 HH TYR 37 HH TYR 37 12.368 -5.438 5.413 290 H GLY 38 H GLY 38 8.705 -1.923 2.831 291 1HA GLY 38 1HA GLY 38 5.867 -1.280 2.743 292 2HA GLY 38 2HA GLY 38 6.633 -1.168 1.158 293 H TYR 39 H TYR 39 5.629 -3.345 3.697 294 HA TYR 39 HA TYR 39 6.156 -5.641 1.848 295 1HB TYR 39 1HB TYR 39 7.136 -6.868 3.602 296 2HB TYR 39 2HB TYR 39 7.753 -5.242 3.880 297 HD1 TYR 39 HD1 TYR 39 6.163 -3.713 5.412 298 HD2 TYR 39 HD2 TYR 39 6.199 -8.009 5.393 299 HE1 TYR 39 HE1 TYR 39 5.148 -3.731 7.674 300 HE2 TYR 39 HE2 TYR 39 5.191 -8.026 7.659 301 HH TYR 39 HH TYR 39 3.667 -5.503 9.010 302 H CYS 40 H CYS 40 4.687 -7.519 2.314 303 HA CYS 40 HA CYS 40 1.961 -6.613 2.762 304 1HB CYS 40 1HB CYS 40 3.208 -8.624 1.383 305 2HB CYS 40 2HB CYS 40 2.544 -9.505 2.759 306 H TYR 41 H TYR 41 0.926 -6.513 4.676 307 HA TYR 41 HA TYR 41 1.869 -8.249 6.933 308 1HB TYR 41 1HB TYR 41 2.642 -6.152 7.582 309 2HB TYR 41 2HB TYR 41 1.391 -5.302 6.680 310 HD1 TYR 41 HD1 TYR 41 0.972 -8.081 9.145 311 HD2 TYR 41 HD2 TYR 41 0.395 -3.906 8.313 312 HE1 TYR 41 HE1 TYR 41 -0.376 -7.854 11.215 313 HE2 TYR 41 HE2 TYR 41 -0.952 -3.680 10.382 314 HH TYR 41 HH TYR 41 -2.390 -5.360 11.830 315 H GLY 42 H GLY 42 0.201 -9.527 7.660 316 1HA GLY 42 1HA GLY 42 -1.981 -10.322 8.006 317 2HA GLY 42 2HA GLY 42 -2.428 -8.628 8.215 318 H PHE 43 H PHE 43 -1.379 -10.665 5.460 319 HA PHE 43 HA PHE 43 -2.242 -10.782 3.261 320 1HB PHE 43 1HB PHE 43 -4.702 -10.362 4.985 321 2HB PHE 43 2HB PHE 43 -4.767 -10.865 3.296 322 HD1 PHE 43 HD1 PHE 43 -2.992 -11.790 6.477 323 HD2 PHE 43 HD2 PHE 43 -4.839 -13.145 2.843 324 HE1 PHE 43 HE1 PHE 43 -2.613 -14.144 7.162 325 HE2 PHE 43 HE2 PHE 43 -4.459 -15.498 3.527 326 HZ PHE 43 HZ PHE 43 -3.346 -15.998 5.686 327 H GLY 44 H GLY 44 -1.119 -8.350 3.457 328 1HA GLY 44 1HA GLY 44 -2.556 -6.700 1.665 329 2HA GLY 44 2HA GLY 44 -2.879 -6.093 3.289 330 H CYS 45 H CYS 45 -1.168 -5.144 0.875 331 HA CYS 45 HA CYS 45 1.581 -5.122 1.768 332 1HB CYS 45 1HB CYS 45 0.022 -3.294 -0.085 333 2HB CYS 45 2HB CYS 45 1.778 -3.426 -0.019 334 H TYR 46 H TYR 46 2.328 -3.986 3.514 335 HA TYR 46 HA TYR 46 0.818 -1.545 4.378 336 1HB TYR 46 1HB TYR 46 1.076 -3.646 5.847 337 2HB TYR 46 2HB TYR 46 2.776 -3.198 5.987 338 HD1 TYR 46 HD1 TYR 46 -0.575 -1.508 6.157 339 HD2 TYR 46 HD2 TYR 46 3.352 -1.930 7.844 340 HE1 TYR 46 HE1 TYR 46 -1.154 0.142 7.915 341 HE2 TYR 46 HE2 TYR 46 2.775 -0.279 9.602 342 HH TYR 46 HH TYR 46 -0.032 1.674 9.432 343 H CYS 47 H CYS 47 1.875 0.376 4.056 344 HA CYS 47 HA CYS 47 4.816 0.288 3.516 345 1HB CYS 47 1HB CYS 47 2.505 2.040 2.720 346 2HB CYS 47 2HB CYS 47 4.148 2.676 2.637 347 H GLU 48 H GLU 48 6.157 1.946 4.480 348 HA GLU 48 HA GLU 48 4.980 3.327 6.863 349 1HB GLU 48 1HB GLU 48 6.850 1.127 6.715 350 2HB GLU 48 2HB GLU 48 7.632 2.525 7.453 351 1HG GLU 48 1HG GLU 48 5.918 2.703 9.130 352 2HG GLU 48 2HG GLU 48 4.910 1.513 8.306 353 H GLY 49 H GLY 49 5.492 5.483 6.778 354 1HA GLY 49 1HA GLY 49 7.335 7.168 6.687 355 2HA GLY 49 2HA GLY 49 7.978 6.271 5.311 356 H LEU 50 H LEU 50 4.842 6.007 4.729 357 HA LEU 50 HA LEU 50 4.681 7.738 2.529 358 1HB LEU 50 1HB LEU 50 2.397 6.968 4.366 359 2HB LEU 50 2HB LEU 50 2.316 7.263 2.630 360 HG LEU 50 HG LEU 50 4.306 5.277 3.045 361 1HD1 LEU 50 1HD1 LEU 50 3.239 4.902 5.250 362 2HD1 LEU 50 2HD1 LEU 50 1.686 4.669 4.449 363 3HD1 LEU 50 3HD1 LEU 50 3.000 3.525 4.174 364 1HD2 LEU 50 1HD2 LEU 50 2.405 5.797 1.225 365 2HD2 LEU 50 2HD2 LEU 50 3.105 4.188 1.399 366 3HD2 LEU 50 3HD2 LEU 50 1.550 4.558 2.144 367 HA PRO 51 HA PRO 51 4.753 11.613 4.893 368 1HB PRO 51 1HB PRO 51 4.356 12.956 2.368 369 2HB PRO 51 2HB PRO 51 5.823 12.884 3.350 370 1HG PRO 51 1HG PRO 51 5.314 11.557 0.861 371 2HG PRO 51 2HG PRO 51 6.768 11.465 1.861 372 1HD PRO 51 1HD PRO 51 4.780 9.419 1.446 373 2HD PRO 51 2HD PRO 51 6.231 9.337 2.475 374 H ASP 52 H ASP 52 3.160 13.584 4.772 375 HA ASP 52 HA ASP 52 0.449 12.578 4.944 376 1HB ASP 52 1HB ASP 52 1.096 14.321 6.412 377 2HB ASP 52 2HB ASP 52 1.830 15.257 5.111 378 H SER 53 H SER 53 2.297 13.340 2.266 379 HA SER 53 HA SER 53 0.123 14.626 0.715 380 1HB SER 53 1HB SER 53 2.875 14.790 0.761 381 2HB SER 53 2HB SER 53 2.590 13.761 -0.639 382 HG SER 53 HG SER 53 1.669 15.382 -1.647 383 H THR 54 H THR 54 1.161 11.445 1.423 384 HA THR 54 HA THR 54 0.199 10.372 -1.186 385 HB THR 54 HB THR 54 1.105 8.548 0.955 386 HG1 THR 54 HG1 THR 54 2.707 10.642 -0.060 387 1HG2 THR 54 1HG2 THR 54 0.765 8.260 -1.654 388 2HG2 THR 54 2HG2 THR 54 2.404 8.907 -1.718 389 3HG2 THR 54 3HG2 THR 54 2.076 7.423 -0.824 390 H GLN 55 H GLN 55 -1.577 8.922 -1.280 391 HA GLN 55 HA GLN 55 -3.453 9.111 1.028 392 1HB GLN 55 1HB GLN 55 -4.023 9.801 -1.351 393 2HB GLN 55 2HB GLN 55 -3.912 8.097 -1.791 394 1HG GLN 55 1HG GLN 55 -6.211 8.420 -1.339 395 2HG GLN 55 2HG GLN 55 -5.584 7.688 0.138 396 1HE2 GLN 55 2HE2 GLN 55 -6.187 8.779 2.014 397 2HE2 GLN 55 1HE2 GLN 55 -6.581 10.428 2.101 398 H THR 56 H THR 56 -4.127 7.262 2.128 399 HA THR 56 HA THR 56 -2.939 4.655 1.238 400 HB THR 56 HB THR 56 -3.205 4.283 3.835 401 HG1 THR 56 HG1 THR 56 -3.372 6.086 4.989 402 1HG2 THR 56 1HG2 THR 56 -1.143 5.961 2.418 403 2HG2 THR 56 2HG2 THR 56 -0.978 5.571 4.130 404 3HG2 THR 56 3HG2 THR 56 -1.025 4.278 2.931 405 H TRP 57 H TRP 57 -4.276 2.833 2.591 406 HA TRP 57 HA TRP 57 -7.103 3.191 1.740 407 1HB TRP 57 1HB TRP 57 -5.417 1.232 1.206 408 2HB TRP 57 2HB TRP 57 -5.880 0.660 2.809 409 HD1 TRP 57 HD1 TRP 57 -7.171 1.066 -0.715 410 HE1 TRP 57 HE1 TRP 57 -9.499 -0.022 -0.910 411 HE3 TRP 57 HE3 TRP 57 -8.109 0.089 4.212 412 HZ2 TRP 57 HZ2 TRP 57 -11.498 -1.152 0.793 413 HZ3 TRP 57 HZ3 TRP 57 -10.232 -0.992 4.895 414 HH2 TRP 57 HH2 TRP 57 -11.926 -1.613 3.194 415 HA PRO 58 HA PRO 58 -8.939 2.398 2.015 416 1HB PRO 58 1HB PRO 58 -11.185 3.659 3.174 417 2HB PRO 58 2HB PRO 58 -10.938 1.919 2.994 418 1HG PRO 58 1HG PRO 58 -10.924 3.490 5.424 419 2HG PRO 58 2HG PRO 58 -10.804 1.736 5.248 420 1HD PRO 58 1HD PRO 58 -8.696 3.617 5.909 421 2HD PRO 58 2HD PRO 58 -8.594 1.842 5.802 422 H LEU 59 H LEU 59 -10.084 4.179 0.701 423 HA LEU 59 HA LEU 59 -8.591 6.715 1.002 424 1HB LEU 59 1HB LEU 59 -9.766 5.119 -1.087 425 2HB LEU 59 2HB LEU 59 -10.444 6.746 -1.163 426 HG LEU 59 HG LEU 59 -7.758 7.220 -0.688 427 1HD1 LEU 59 1HD1 LEU 59 -7.928 4.562 -1.584 428 2HD1 LEU 59 2HD1 LEU 59 -7.439 5.494 -2.999 429 3HD1 LEU 59 3HD1 LEU 59 -6.478 5.564 -1.522 430 1HD2 LEU 59 1HD2 LEU 59 -9.686 7.859 -2.578 431 2HD2 LEU 59 2HD2 LEU 59 -8.033 8.474 -2.557 432 3HD2 LEU 59 3HD2 LEU 59 -8.438 7.065 -3.537 433 HA PRO 60 HA PRO 60 -11.769 9.276 2.630 434 1HB PRO 60 1HB PRO 60 -12.127 10.916 0.270 435 2HB PRO 60 2HB PRO 60 -11.300 11.320 1.777 436 1HG PRO 60 1HG PRO 60 -10.106 10.782 -0.756 437 2HG PRO 60 2HG PRO 60 -9.283 11.084 0.777 438 1HD PRO 60 1HD PRO 60 -9.473 8.593 -0.671 439 2HD PRO 60 2HD PRO 60 -8.643 8.899 0.875 440 H ASN 61 H ASN 61 -13.937 10.523 1.410 441 HA ASN 61 HA ASN 61 -15.919 8.556 1.236 442 1HB ASN 61 1HB ASN 61 -15.542 11.387 0.537 443 2HB ASN 61 2HB ASN 61 -16.793 10.595 -0.422 444 1HD2 ASN 61 2HD2 ASN 61 -18.774 11.032 0.561 445 2HD2 ASN 61 1HD2 ASN 61 -19.073 10.934 2.230 446 H LYS 62 H LYS 62 -13.697 9.688 -1.231 447 HA LYS 62 HA LYS 62 -15.108 8.274 -3.404 448 1HB LYS 62 1HB LYS 62 -12.997 10.261 -3.039 449 2HB LYS 62 2HB LYS 62 -12.563 9.060 -4.256 450 1HG LYS 62 1HG LYS 62 -15.341 10.114 -4.375 451 2HG LYS 62 2HG LYS 62 -14.057 11.235 -4.829 452 1HD LYS 62 1HD LYS 62 -13.453 8.724 -6.029 453 2HD LYS 62 2HD LYS 62 -15.149 9.075 -6.362 454 1HE LYS 62 1HE LYS 62 -14.657 10.980 -7.594 455 2HE LYS 62 2HE LYS 62 -13.153 11.289 -6.705 456 1HZ LYS 62 1HZ LYS 62 -12.867 8.784 -7.829 457 2HZ LYS 62 2HZ LYS 62 -13.544 9.739 -9.057 458 3HZ LYS 62 3HZ LYS 62 -12.090 10.213 -8.316 459 H THR 63 H THR 63 -14.512 6.468 -1.416 460 HA THR 63 HA THR 63 -11.956 5.157 -1.687 461 HB THR 63 HB THR 63 -13.312 4.862 0.279 462 HG1 THR 63 HG1 THR 63 -13.764 2.491 0.046 463 1HG2 THR 63 1HG2 THR 63 -15.430 4.243 -1.743 464 2HG2 THR 63 2HG2 THR 63 -15.545 3.503 -0.147 465 3HG2 THR 63 3HG2 THR 63 -15.520 5.258 -0.304 466 H CYS 64 H CYS 64 -12.352 2.553 -2.209 467 HA CYS 64 HA CYS 64 -12.665 2.449 -5.097 468 1HB CYS 64 1HB CYS 64 -11.098 1.116 -3.615 469 2HB CYS 64 2HB CYS 64 -12.501 0.191 -3.081 Start of MODEL 26 1 1H LYS 1 1H LYS 1 4.715 4.654 11.665 2 2H LYS 1 2H LYS 1 4.888 6.190 12.367 3 3H LYS 1 3H LYS 1 3.792 5.078 13.026 4 HA LYS 1 HA LYS 1 2.198 5.991 11.776 5 1HB LYS 1 1HB LYS 1 2.746 7.903 10.437 6 2HB LYS 1 2HB LYS 1 3.924 7.888 11.751 7 1HG LYS 1 1HG LYS 1 5.126 6.291 9.836 8 2HG LYS 1 2HG LYS 1 4.344 7.543 8.869 9 1HD LYS 1 1HD LYS 1 5.466 8.918 11.038 10 2HD LYS 1 2HD LYS 1 6.694 7.739 10.567 11 1HE LYS 1 1HE LYS 1 6.362 8.517 8.160 12 2HE LYS 1 2HE LYS 1 5.401 9.856 8.818 13 1HZ LYS 1 1HZ LYS 1 7.903 9.344 10.186 14 2HZ LYS 1 2HZ LYS 1 8.073 9.912 8.593 15 3HZ LYS 1 3HZ LYS 1 7.200 10.821 9.727 16 H ASP 2 H ASP 2 2.861 3.423 11.088 17 HA ASP 2 HA ASP 2 3.297 3.286 8.159 18 1HB ASP 2 1HB ASP 2 2.817 1.128 10.239 19 2HB ASP 2 2HB ASP 2 3.473 0.895 8.619 20 H GLY 3 H GLY 3 1.720 2.198 6.771 21 1HA GLY 3 1HA GLY 3 -0.955 1.675 7.886 22 2HA GLY 3 2HA GLY 3 -0.860 3.020 6.748 23 H TYR 4 H TYR 4 -2.421 1.433 5.633 24 HA TYR 4 HA TYR 4 -1.006 -0.734 4.157 25 1HB TYR 4 1HB TYR 4 -3.757 -0.059 5.013 26 2HB TYR 4 2HB TYR 4 -3.644 -0.783 3.408 27 HD1 TYR 4 HD1 TYR 4 -2.304 -2.960 3.155 28 HD2 TYR 4 HD2 TYR 4 -3.544 -1.385 6.954 29 HE1 TYR 4 HE1 TYR 4 -1.974 -5.192 4.188 30 HE2 TYR 4 HE2 TYR 4 -3.214 -3.614 7.987 31 HH TYR 4 HH TYR 4 -2.387 -6.445 6.027 32 H LEU 5 H LEU 5 -0.732 -0.617 1.911 33 HA LEU 5 HA LEU 5 -0.859 2.009 0.667 34 1HB LEU 5 1HB LEU 5 -0.083 -0.791 -0.079 35 2HB LEU 5 2HB LEU 5 -0.294 0.397 -1.364 36 HG LEU 5 HG LEU 5 1.584 0.601 1.006 37 1HD1 LEU 5 1HD1 LEU 5 1.820 -0.303 -1.750 38 2HD1 LEU 5 2HD1 LEU 5 2.920 1.035 -1.413 39 3HD1 LEU 5 3HD1 LEU 5 2.984 -0.430 -0.431 40 1HD2 LEU 5 1HD2 LEU 5 0.354 2.653 -0.663 41 2HD2 LEU 5 2HD2 LEU 5 1.351 2.839 0.780 42 3HD2 LEU 5 3HD2 LEU 5 2.112 2.669 -0.803 43 H VAL 6 H VAL 6 -2.440 2.794 -0.672 44 HA VAL 6 HA VAL 6 -4.925 1.195 -0.973 45 HB VAL 6 HB VAL 6 -5.879 3.377 -1.529 46 1HG1 VAL 6 1HG1 VAL 6 -4.537 2.737 0.891 47 2HG1 VAL 6 2HG1 VAL 6 -4.265 4.453 0.588 48 3HG1 VAL 6 3HG1 VAL 6 -5.910 3.822 0.674 49 1HG2 VAL 6 1HG2 VAL 6 -3.487 3.953 -2.663 50 2HG2 VAL 6 2HG2 VAL 6 -4.643 5.198 -2.188 51 3HG2 VAL 6 3HG2 VAL 6 -3.294 4.794 -1.125 52 H GLU 7 H GLU 7 -5.952 2.195 -3.316 53 HA GLU 7 HA GLU 7 -4.011 1.174 -5.358 54 1HB GLU 7 1HB GLU 7 -6.410 0.180 -4.692 55 2HB GLU 7 2HB GLU 7 -6.947 1.386 -5.863 56 1HG GLU 7 1HG GLU 7 -4.626 -0.058 -6.845 57 2HG GLU 7 2HG GLU 7 -5.939 -1.166 -6.442 58 H LYS 8 H LYS 8 -4.819 2.098 -7.663 59 HA LYS 8 HA LYS 8 -4.132 4.849 -7.764 60 1HB LYS 8 1HB LYS 8 -4.157 2.973 -9.551 61 2HB LYS 8 2HB LYS 8 -5.851 3.407 -9.787 62 1HG LYS 8 1HG LYS 8 -4.542 4.670 -11.379 63 2HG LYS 8 2HG LYS 8 -5.106 5.792 -10.141 64 1HD LYS 8 1HD LYS 8 -2.911 6.400 -10.045 65 2HD LYS 8 2HD LYS 8 -2.758 4.963 -9.036 66 1HE LYS 8 1HE LYS 8 -2.641 4.398 -11.932 67 2HE LYS 8 2HE LYS 8 -1.295 5.381 -11.322 68 1HZ LYS 8 1HZ LYS 8 -2.182 3.144 -9.667 69 2HZ LYS 8 2HZ LYS 8 -1.321 2.757 -11.076 70 3HZ LYS 8 3HZ LYS 8 -0.618 3.764 -9.903 71 H THR 9 H THR 9 -7.309 3.260 -7.599 72 HA THR 9 HA THR 9 -8.690 5.882 -7.757 73 HB THR 9 HB THR 9 -10.688 4.356 -7.781 74 HG1 THR 9 HG1 THR 9 -9.401 2.717 -6.565 75 1HG2 THR 9 1HG2 THR 9 -9.261 5.030 -9.827 76 2HG2 THR 9 2HG2 THR 9 -8.635 3.383 -9.757 77 3HG2 THR 9 3HG2 THR 9 -10.358 3.662 -10.010 78 H GLY 10 H GLY 10 -7.256 4.041 -5.371 79 1HA GLY 10 1HA GLY 10 -7.378 4.823 -3.044 80 2HA GLY 10 2HA GLY 10 -9.082 5.193 -3.309 81 H CYS 11 H CYS 11 -8.345 2.296 -4.816 82 HA CYS 11 HA CYS 11 -9.830 0.752 -2.807 83 1HB CYS 11 1HB CYS 11 -8.771 0.439 -5.584 84 2HB CYS 11 2HB CYS 11 -9.100 -1.032 -4.671 85 H LYS 12 H LYS 12 -8.646 -1.715 -2.860 86 HA LYS 12 HA LYS 12 -6.086 -1.233 -1.409 87 1HB LYS 12 1HB LYS 12 -8.040 -3.558 -1.519 88 2HB LYS 12 2HB LYS 12 -6.616 -3.491 -0.487 89 1HG LYS 12 1HG LYS 12 -8.038 -2.591 1.044 90 2HG LYS 12 2HG LYS 12 -7.815 -1.107 0.114 91 1HD LYS 12 1HD LYS 12 -10.147 -1.301 0.172 92 2HD LYS 12 2HD LYS 12 -9.752 -2.060 -1.371 93 1HE LYS 12 1HE LYS 12 -9.584 -4.011 0.770 94 2HE LYS 12 2HE LYS 12 -11.183 -3.241 0.746 95 1HZ LYS 12 1HZ LYS 12 -10.843 -3.504 -1.829 96 2HZ LYS 12 2HZ LYS 12 -9.833 -4.785 -1.350 97 3HZ LYS 12 3HZ LYS 12 -11.472 -4.776 -0.900 98 H LYS 13 H LYS 13 -4.780 -3.561 -1.625 99 HA LYS 13 HA LYS 13 -4.627 -4.287 -4.522 100 1HB LYS 13 1HB LYS 13 -3.028 -2.429 -3.850 101 2HB LYS 13 2HB LYS 13 -2.251 -3.588 -2.771 102 1HG LYS 13 1HG LYS 13 -0.952 -3.945 -4.636 103 2HG LYS 13 2HG LYS 13 -2.259 -5.068 -5.011 104 1HD LYS 13 1HD LYS 13 -3.315 -2.805 -6.036 105 2HD LYS 13 2HD LYS 13 -1.601 -2.447 -6.249 106 1HE LYS 13 1HE LYS 13 -1.445 -4.848 -7.252 107 2HE LYS 13 2HE LYS 13 -3.205 -4.720 -7.424 108 1HZ LYS 13 1HZ LYS 13 -2.260 -2.283 -8.234 109 2HZ LYS 13 2HZ LYS 13 -1.144 -3.378 -8.894 110 3HZ LYS 13 3HZ LYS 13 -2.798 -3.530 -9.253 111 H THR 14 H THR 14 -5.824 -5.949 -2.736 112 HA THR 14 HA THR 14 -4.514 -7.698 -1.078 113 HB THR 14 HB THR 14 -6.577 -8.053 -3.243 114 HG1 THR 14 HG1 THR 14 -7.904 -7.899 -1.582 115 1HG2 THR 14 1HG2 THR 14 -5.397 -10.212 -3.095 116 2HG2 THR 14 2HG2 THR 14 -5.624 -10.217 -1.348 117 3HG2 THR 14 3HG2 THR 14 -7.020 -10.331 -2.416 118 H CYS 15 H CYS 15 -3.200 -9.560 -1.322 119 HA CYS 15 HA CYS 15 -2.075 -10.092 -4.044 120 1HB CYS 15 1HB CYS 15 0.163 -10.169 -2.969 121 2HB CYS 15 2HB CYS 15 -0.586 -8.582 -2.784 122 H TYR 16 H TYR 16 -1.016 -12.274 -4.123 123 HA TYR 16 HA TYR 16 -2.481 -14.201 -2.385 124 1HB TYR 16 1HB TYR 16 -0.709 -14.845 -4.744 125 2HB TYR 16 2HB TYR 16 -2.122 -15.723 -4.161 126 HD1 TYR 16 HD1 TYR 16 -4.393 -14.354 -4.182 127 HD2 TYR 16 HD2 TYR 16 -0.944 -13.403 -6.560 128 HE1 TYR 16 HE1 TYR 16 -5.824 -13.063 -5.746 129 HE2 TYR 16 HE2 TYR 16 -2.374 -12.115 -8.121 130 HH TYR 16 HH TYR 16 -4.431 -11.495 -8.635 131 H LYS 17 H LYS 17 0.618 -12.781 -2.763 132 HA LYS 17 HA LYS 17 1.985 -15.033 -1.361 133 1HB LYS 17 1HB LYS 17 3.043 -14.170 -3.382 134 2HB LYS 17 2HB LYS 17 2.952 -12.520 -2.763 135 1HG LYS 17 1HG LYS 17 4.278 -13.594 -0.718 136 2HG LYS 17 2HG LYS 17 4.775 -14.748 -1.954 137 1HD LYS 17 1HD LYS 17 5.043 -12.277 -3.212 138 2HD LYS 17 2HD LYS 17 5.609 -11.977 -1.568 139 1HE LYS 17 1HE LYS 17 7.473 -12.753 -3.011 140 2HE LYS 17 2HE LYS 17 7.123 -13.954 -1.752 141 1HZ LYS 17 1HZ LYS 17 5.396 -14.381 -3.930 142 2HZ LYS 17 2HZ LYS 17 6.985 -14.296 -4.522 143 3HZ LYS 17 3HZ LYS 17 6.586 -15.419 -3.313 144 H LEU 18 H LEU 18 1.006 -14.583 0.734 145 HA LEU 18 HA LEU 18 1.094 -12.009 2.008 146 1HB LEU 18 1HB LEU 18 0.765 -14.882 2.852 147 2HB LEU 18 2HB LEU 18 0.828 -13.602 4.064 148 HG LEU 18 HG LEU 18 -1.074 -13.656 1.704 149 1HD1 LEU 18 1HD1 LEU 18 -1.346 -15.365 3.676 150 2HD1 LEU 18 2HD1 LEU 18 -1.872 -13.950 4.588 151 3HD1 LEU 18 3HD1 LEU 18 -2.748 -14.439 3.138 152 1HD2 LEU 18 1HD2 LEU 18 -0.212 -11.585 3.493 153 2HD2 LEU 18 2HD2 LEU 18 -1.411 -11.489 2.205 154 3HD2 LEU 18 3HD2 LEU 18 -1.904 -11.955 3.834 155 H GLY 19 H GLY 19 2.843 -10.976 2.853 156 1HA GLY 19 1HA GLY 19 4.857 -10.746 4.092 157 2HA GLY 19 2HA GLY 19 5.024 -12.498 4.107 158 H GLU 20 H GLU 20 7.127 -10.734 3.530 159 HA GLU 20 HA GLU 20 8.696 -10.127 1.835 160 1HB GLU 20 1HB GLU 20 9.024 -12.502 2.590 161 2HB GLU 20 2HB GLU 20 8.086 -13.023 1.189 162 1HG GLU 20 1HG GLU 20 9.707 -11.866 -0.298 163 2HG GLU 20 2HG GLU 20 10.664 -11.426 1.117 164 H ASN 21 H ASN 21 6.407 -9.049 0.830 165 HA ASN 21 HA ASN 21 6.137 -10.144 -1.947 166 1HB ASN 21 1HB ASN 21 4.187 -9.709 -0.217 167 2HB ASN 21 2HB ASN 21 4.367 -8.033 -0.739 168 1HD2 ASN 21 2HD2 ASN 21 2.175 -10.141 -1.322 169 2HD2 ASN 21 1HD2 ASN 21 2.045 -10.131 -3.014 170 H ASP 22 H ASP 22 8.328 -9.060 -2.299 171 HA ASP 22 HA ASP 22 9.053 -6.425 -2.114 172 1HB ASP 22 1HB ASP 22 9.788 -8.667 -3.581 173 2HB ASP 22 2HB ASP 22 9.439 -7.466 -4.825 174 H PHE 23 H PHE 23 6.669 -7.720 -4.422 175 HA PHE 23 HA PHE 23 6.293 -5.641 -6.196 176 1HB PHE 23 1HB PHE 23 4.827 -7.846 -5.142 177 2HB PHE 23 2HB PHE 23 3.727 -6.469 -5.216 178 HD1 PHE 23 HD1 PHE 23 6.624 -7.502 -7.364 179 HD2 PHE 23 HD2 PHE 23 2.423 -6.633 -7.152 180 HE1 PHE 23 HE1 PHE 23 6.445 -7.767 -9.823 181 HE2 PHE 23 HE2 PHE 23 2.244 -6.899 -9.611 182 HZ PHE 23 HZ PHE 23 4.255 -7.464 -10.946 183 H CYS 24 H CYS 24 4.897 -5.773 -2.889 184 HA CYS 24 HA CYS 24 3.519 -3.290 -2.963 185 1HB CYS 24 1HB CYS 24 4.937 -4.718 -0.687 186 2HB CYS 24 2HB CYS 24 3.695 -3.484 -0.493 187 H ASN 25 H ASN 25 6.789 -3.980 -1.649 188 HA ASN 25 HA ASN 25 7.608 -1.397 -0.969 189 1HB ASN 25 1HB ASN 25 8.783 -3.965 -1.698 190 2HB ASN 25 2HB ASN 25 9.812 -2.625 -2.201 191 1HD2 ASN 25 2HD2 ASN 25 9.542 -4.680 0.299 192 2HD2 ASN 25 1HD2 ASN 25 9.983 -3.673 1.591 193 H ARG 26 H ARG 26 7.960 -2.973 -4.159 194 HA ARG 26 HA ARG 26 9.127 -0.840 -5.585 195 1HB ARG 26 1HB ARG 26 8.376 -3.363 -6.107 196 2HB ARG 26 2HB ARG 26 7.023 -2.527 -6.869 197 1HG ARG 26 1HG ARG 26 8.314 -1.720 -8.557 198 2HG ARG 26 2HG ARG 26 9.664 -1.367 -7.480 199 1HD ARG 26 1HD ARG 26 10.694 -3.307 -8.023 200 2HD ARG 26 2HD ARG 26 9.223 -4.245 -7.715 201 HE ARG 26 HE ARG 26 10.202 -3.500 -10.295 202 1HH1 ARG 26 1HH1 ARG 26 7.245 -3.459 -8.480 203 2HH1 ARG 26 2HH1 ARG 26 6.254 -3.273 -9.883 204 1HH2 ARG 26 1HH2 ARG 26 8.909 -3.288 -12.106 205 2HH2 ARG 26 2HH2 ARG 26 7.189 -3.189 -11.930 206 H GLU 27 H GLU 27 5.661 -1.521 -5.008 207 HA GLU 27 HA GLU 27 4.785 0.822 -6.522 208 1HB GLU 27 1HB GLU 27 3.722 -1.582 -5.482 209 2HB GLU 27 2HB GLU 27 2.847 -0.281 -4.674 210 1HG GLU 27 1HG GLU 27 2.069 0.626 -6.707 211 2HG GLU 27 2HG GLU 27 3.287 -0.225 -7.656 212 H CYS 28 H CYS 28 6.015 0.341 -3.372 213 HA CYS 28 HA CYS 28 4.456 2.425 -2.030 214 1HB CYS 28 1HB CYS 28 5.672 0.291 -1.127 215 2HB CYS 28 2HB CYS 28 7.108 1.318 -1.131 216 H LYS 29 H LYS 29 7.763 2.176 -3.381 217 HA LYS 29 HA LYS 29 8.327 4.990 -2.681 218 1HB LYS 29 1HB LYS 29 10.549 4.425 -3.422 219 2HB LYS 29 2HB LYS 29 9.936 3.034 -2.528 220 1HG LYS 29 1HG LYS 29 9.550 1.787 -4.495 221 2HG LYS 29 2HG LYS 29 9.603 3.218 -5.522 222 1HD LYS 29 1HD LYS 29 12.021 2.394 -3.926 223 2HD LYS 29 2HD LYS 29 11.679 1.652 -5.490 224 1HE LYS 29 1HE LYS 29 11.688 4.659 -5.190 225 2HE LYS 29 2HE LYS 29 13.190 3.762 -5.493 226 1HZ LYS 29 1HZ LYS 29 10.750 3.252 -7.082 227 2HZ LYS 29 2HZ LYS 29 11.829 4.490 -7.514 228 3HZ LYS 29 3HZ LYS 29 12.363 2.882 -7.467 229 H TRP 30 H TRP 30 7.260 3.165 -5.470 230 HA TRP 30 HA TRP 30 8.121 4.789 -7.585 231 1HB TRP 30 1HB TRP 30 6.644 3.511 -8.808 232 2HB TRP 30 2HB TRP 30 6.656 2.561 -7.328 233 HD1 TRP 30 HD1 TRP 30 4.204 3.052 -9.533 234 HE1 TRP 30 HE1 TRP 30 1.901 3.682 -8.559 235 HE3 TRP 30 HE3 TRP 30 5.626 4.737 -4.936 236 HZ2 TRP 30 HZ2 TRP 30 0.807 4.753 -6.142 237 HZ3 TRP 30 HZ3 TRP 30 3.938 5.553 -3.313 238 HH2 TRP 30 HH2 TRP 30 1.531 5.567 -3.911 239 H LYS 31 H LYS 31 6.111 5.981 -8.914 240 HA LYS 31 HA LYS 31 5.063 8.098 -9.056 241 1HB LYS 31 1HB LYS 31 3.707 6.323 -7.465 242 2HB LYS 31 2HB LYS 31 3.832 7.724 -6.404 243 1HG LYS 31 1HG LYS 31 2.672 9.117 -7.909 244 2HG LYS 31 2HG LYS 31 2.945 8.026 -9.269 245 1HD LYS 31 1HD LYS 31 0.681 7.658 -8.673 246 2HD LYS 31 2HD LYS 31 1.551 6.313 -7.935 247 1HE LYS 31 1HE LYS 31 1.346 7.189 -5.773 248 2HE LYS 31 2HE LYS 31 1.121 8.847 -6.362 249 1HZ LYS 31 1HZ LYS 31 -0.881 7.448 -7.564 250 2HZ LYS 31 2HZ LYS 31 -0.826 6.765 -6.012 251 3HZ LYS 31 3HZ LYS 31 -1.054 8.439 -6.196 252 H HIS 32 H HIS 32 7.680 7.866 -7.430 253 HA HIS 32 HA HIS 32 8.997 9.280 -6.068 254 1HB HIS 32 1HB HIS 32 7.240 10.821 -7.838 255 2HB HIS 32 2HB HIS 32 7.776 11.748 -6.437 256 HD1 HIS 32 HD1 HIS 32 8.821 11.041 -9.749 257 HD2 HIS 32 HD2 HIS 32 10.819 11.218 -6.095 258 HE1 HIS 32 HE1 HIS 32 11.279 11.348 -10.289 259 H ILE 33 H ILE 33 7.994 8.169 -4.119 260 HA ILE 33 HA ILE 33 6.408 10.149 -2.528 261 HB ILE 33 HB ILE 33 5.559 7.686 -3.537 262 1HG1 ILE 33 1HG1 ILE 33 3.871 8.179 -1.413 263 2HG1 ILE 33 2HG1 ILE 33 4.621 9.755 -1.675 264 1HG2 ILE 33 1HG2 ILE 33 6.155 7.403 -0.574 265 2HG2 ILE 33 2HG2 ILE 33 5.191 6.282 -1.535 266 3HG2 ILE 33 3HG2 ILE 33 6.911 6.478 -1.870 267 1HD1 ILE 33 1HD1 ILE 33 3.702 8.250 -4.083 268 2HD1 ILE 33 2HD1 ILE 33 2.467 8.984 -3.061 269 3HD1 ILE 33 3HD1 ILE 33 3.722 9.988 -3.786 270 H GLY 34 H GLY 34 8.534 7.272 -2.343 271 1HA GLY 34 1HA GLY 34 10.600 7.347 -1.027 272 2HA GLY 34 2HA GLY 34 9.826 8.518 0.039 273 H GLY 35 H GLY 35 9.911 5.113 -0.871 274 1HA GLY 35 1HA GLY 35 8.399 4.483 1.628 275 2HA GLY 35 2HA GLY 35 8.474 3.418 0.224 276 H SER 36 H SER 36 9.727 3.870 3.270 277 HA SER 36 HA SER 36 12.445 2.854 2.679 278 1HB SER 36 1HB SER 36 12.142 2.900 5.402 279 2HB SER 36 2HB SER 36 12.639 4.290 4.442 280 HG SER 36 HG SER 36 10.059 3.602 5.386 281 H TYR 37 H TYR 37 9.332 1.661 3.734 282 HA TYR 37 HA TYR 37 10.418 -1.109 3.761 283 1HB TYR 37 1HB TYR 37 9.865 0.491 6.067 284 2HB TYR 37 2HB TYR 37 8.648 -0.783 5.993 285 HD1 TYR 37 HD1 TYR 37 12.326 -0.157 5.913 286 HD2 TYR 37 HD2 TYR 37 9.192 -3.029 6.528 287 HE1 TYR 37 HE1 TYR 37 13.992 -1.796 6.743 288 HE2 TYR 37 HE2 TYR 37 10.859 -4.670 7.355 289 HH TYR 37 HH TYR 37 13.799 -4.737 6.809 290 H GLY 38 H GLY 38 8.871 -2.556 2.936 291 1HA GLY 38 1HA GLY 38 6.020 -1.938 3.062 292 2HA GLY 38 2HA GLY 38 6.693 -1.766 1.442 293 H TYR 39 H TYR 39 4.805 -3.769 2.784 294 HA TYR 39 HA TYR 39 5.843 -6.139 1.389 295 1HB TYR 39 1HB TYR 39 5.691 -7.497 3.521 296 2HB TYR 39 2HB TYR 39 6.998 -6.312 3.518 297 HD1 TYR 39 HD1 TYR 39 3.551 -6.989 4.731 298 HD2 TYR 39 HD2 TYR 39 7.015 -4.465 5.040 299 HE1 TYR 39 HE1 TYR 39 2.598 -5.929 6.760 300 HE2 TYR 39 HE2 TYR 39 6.061 -3.406 7.072 301 HH TYR 39 HH TYR 39 4.187 -4.377 8.939 302 H CYS 40 H CYS 40 4.080 -8.030 1.963 303 HA CYS 40 HA CYS 40 1.420 -6.650 1.843 304 1HB CYS 40 1HB CYS 40 2.579 -8.070 -0.090 305 2HB CYS 40 2HB CYS 40 1.870 -9.415 0.805 306 H TYR 41 H TYR 41 0.081 -7.055 3.523 307 HA TYR 41 HA TYR 41 0.266 -9.686 4.936 308 1HB TYR 41 1HB TYR 41 1.418 -7.534 5.970 309 2HB TYR 41 2HB TYR 41 -0.237 -7.124 6.426 310 HD1 TYR 41 HD1 TYR 41 1.989 -10.151 6.396 311 HD2 TYR 41 HD2 TYR 41 -0.946 -7.842 8.520 312 HE1 TYR 41 HE1 TYR 41 2.116 -11.738 8.297 313 HE2 TYR 41 HE2 TYR 41 -0.819 -9.429 10.421 314 HH TYR 41 HH TYR 41 0.546 -11.079 11.347 315 H GLY 42 H GLY 42 -1.791 -10.413 5.731 316 1HA GLY 42 1HA GLY 42 -4.131 -10.632 5.580 317 2HA GLY 42 2HA GLY 42 -4.148 -8.921 6.015 318 H PHE 43 H PHE 43 -2.965 -10.593 3.091 319 HA PHE 43 HA PHE 43 -3.385 -10.109 0.817 320 1HB PHE 43 1HB PHE 43 -6.075 -9.831 2.181 321 2HB PHE 43 2HB PHE 43 -5.889 -9.865 0.430 322 HD1 PHE 43 HD1 PHE 43 -3.547 -11.845 0.328 323 HD2 PHE 43 HD2 PHE 43 -7.264 -11.885 2.481 324 HE1 PHE 43 HE1 PHE 43 -3.482 -14.319 0.395 325 HE2 PHE 43 HE2 PHE 43 -7.199 -14.361 2.545 326 HZ PHE 43 HZ PHE 43 -5.308 -15.578 1.502 327 H GLY 44 H GLY 44 -2.067 -8.088 1.076 328 1HA GLY 44 1HA GLY 44 -3.052 -5.859 -0.195 329 2HA GLY 44 2HA GLY 44 -3.460 -5.556 1.495 330 H CYS 45 H CYS 45 -1.528 -4.062 -0.123 331 HA CYS 45 HA CYS 45 1.129 -4.899 0.847 332 1HB CYS 45 1HB CYS 45 0.016 -2.676 -0.871 333 2HB CYS 45 2HB CYS 45 1.719 -2.737 -0.419 334 H TYR 46 H TYR 46 2.207 -3.956 2.543 335 HA TYR 46 HA TYR 46 0.851 -1.710 3.999 336 1HB TYR 46 1HB TYR 46 1.110 -4.184 4.899 337 2HB TYR 46 2HB TYR 46 2.766 -3.678 5.225 338 HD1 TYR 46 HD1 TYR 46 -0.806 -2.879 5.898 339 HD2 TYR 46 HD2 TYR 46 3.279 -2.236 7.061 340 HE1 TYR 46 HE1 TYR 46 -1.573 -1.734 7.959 341 HE2 TYR 46 HE2 TYR 46 2.510 -1.091 9.123 342 HH TYR 46 HH TYR 46 -0.662 -1.264 10.244 343 H CYS 47 H CYS 47 2.323 -0.060 4.840 344 HA CYS 47 HA CYS 47 5.171 -0.293 3.969 345 1HB CYS 47 1HB CYS 47 3.033 1.515 2.969 346 2HB CYS 47 2HB CYS 47 4.626 2.231 3.203 347 H GLU 48 H GLU 48 6.556 1.357 4.963 348 HA GLU 48 HA GLU 48 5.388 2.761 7.327 349 1HB GLU 48 1HB GLU 48 7.939 1.139 7.444 350 2HB GLU 48 2HB GLU 48 6.968 1.736 8.789 351 1HG GLU 48 1HG GLU 48 5.160 0.204 8.221 352 2HG GLU 48 2HG GLU 48 6.032 -0.337 6.785 353 H GLY 49 H GLY 49 5.986 4.881 7.020 354 1HA GLY 49 1HA GLY 49 8.006 6.384 7.205 355 2HA GLY 49 2HA GLY 49 8.724 5.400 5.929 356 H LEU 50 H LEU 50 5.387 5.853 5.454 357 HA LEU 50 HA LEU 50 5.823 7.395 3.046 358 1HB LEU 50 1HB LEU 50 3.203 7.064 4.523 359 2HB LEU 50 2HB LEU 50 3.455 7.216 2.790 360 HG LEU 50 HG LEU 50 3.170 4.956 2.840 361 1HD1 LEU 50 1HD1 LEU 50 5.743 5.536 2.508 362 2HD1 LEU 50 2HD1 LEU 50 5.900 4.600 3.995 363 3HD1 LEU 50 3HD1 LEU 50 5.180 3.868 2.564 364 1HD2 LEU 50 1HD2 LEU 50 3.523 5.390 5.688 365 2HD2 LEU 50 2HD2 LEU 50 2.552 4.177 4.854 366 3HD2 LEU 50 3HD2 LEU 50 4.261 3.873 5.176 367 HA PRO 51 HA PRO 51 6.157 11.410 4.963 368 1HB PRO 51 1HB PRO 51 4.852 12.482 2.578 369 2HB PRO 51 2HB PRO 51 6.516 12.708 3.131 370 1HG PRO 51 1HG PRO 51 5.635 11.085 0.965 371 2HG PRO 51 2HG PRO 51 7.272 11.201 1.616 372 1HD PRO 51 1HD PRO 51 5.476 8.959 1.792 373 2HD PRO 51 2HD PRO 51 7.100 9.110 2.511 374 H ASP 52 H ASP 52 4.681 12.761 6.063 375 HA ASP 52 HA ASP 52 2.169 11.850 6.830 376 1HB ASP 52 1HB ASP 52 3.757 13.887 7.491 377 2HB ASP 52 2HB ASP 52 2.613 14.789 6.494 378 H SER 53 H SER 53 2.829 14.198 4.201 379 HA SER 53 HA SER 53 0.170 14.711 3.414 380 1HB SER 53 1HB SER 53 1.228 15.815 1.709 381 2HB SER 53 2HB SER 53 2.671 15.450 2.650 382 HG SER 53 HG SER 53 1.761 14.387 0.265 383 H THR 54 H THR 54 2.211 11.904 2.710 384 HA THR 54 HA THR 54 0.722 10.795 0.547 385 HB THR 54 HB THR 54 2.095 9.265 2.770 386 HG1 THR 54 HG1 THR 54 3.871 10.206 2.223 387 1HG2 THR 54 1HG2 THR 54 1.221 8.744 0.000 388 2HG2 THR 54 2HG2 THR 54 2.858 8.201 0.370 389 3HG2 THR 54 3HG2 THR 54 1.497 7.614 1.325 390 H GLN 55 H GLN 55 -1.137 9.519 0.504 391 HA GLN 55 HA GLN 55 -2.758 9.433 2.993 392 1HB GLN 55 1HB GLN 55 -3.156 9.513 0.079 393 2HB GLN 55 2HB GLN 55 -4.246 8.395 0.900 394 1HG GLN 55 1HG GLN 55 -3.815 11.225 1.872 395 2HG GLN 55 2HG GLN 55 -5.059 10.815 0.691 396 1HE2 GLN 55 2HE2 GLN 55 -6.007 11.808 3.077 397 2HE2 GLN 55 1HE2 GLN 55 -6.670 10.570 4.028 398 H THR 56 H THR 56 -3.998 7.341 3.376 399 HA THR 56 HA THR 56 -2.682 4.887 2.353 400 HB THR 56 HB THR 56 -2.823 4.528 5.132 401 HG1 THR 56 HG1 THR 56 -1.354 6.434 5.603 402 1HG2 THR 56 1HG2 THR 56 -0.894 4.531 3.005 403 2HG2 THR 56 2HG2 THR 56 -0.185 5.286 4.433 404 3HG2 THR 56 3HG2 THR 56 -0.847 3.653 4.534 405 H TRP 57 H TRP 57 -3.851 2.911 3.436 406 HA TRP 57 HA TRP 57 -6.759 3.372 3.213 407 1HB TRP 57 1HB TRP 57 -5.128 1.449 2.312 408 2HB TRP 57 2HB TRP 57 -5.496 0.745 3.883 409 HD1 TRP 57 HD1 TRP 57 -7.314 2.103 0.765 410 HE1 TRP 57 HE1 TRP 57 -9.577 0.888 0.549 411 HE3 TRP 57 HE3 TRP 57 -7.233 -0.690 5.046 412 HZ2 TRP 57 HZ2 TRP 57 -11.145 -1.012 1.996 413 HZ3 TRP 57 HZ3 TRP 57 -9.127 -2.190 5.600 414 HH2 TRP 57 HH2 TRP 57 -11.080 -2.355 4.082 415 HA PRO 58 HA PRO 58 -8.540 2.435 3.770 416 1HB PRO 58 1HB PRO 58 -10.569 3.549 5.377 417 2HB PRO 58 2HB PRO 58 -10.299 1.829 5.073 418 1HG PRO 58 1HG PRO 58 -9.875 3.318 7.528 419 2HG PRO 58 2HG PRO 58 -9.775 1.574 7.264 420 1HD PRO 58 1HD PRO 58 -7.597 3.445 7.618 421 2HD PRO 58 2HD PRO 58 -7.500 1.683 7.380 422 H LEU 59 H LEU 59 -9.140 4.098 2.352 423 HA LEU 59 HA LEU 59 -7.998 6.682 2.523 424 1HB LEU 59 1HB LEU 59 -9.806 5.154 0.855 425 2HB LEU 59 2HB LEU 59 -10.377 6.817 0.987 426 HG LEU 59 HG LEU 59 -7.997 7.549 0.445 427 1HD1 LEU 59 1HD1 LEU 59 -7.474 4.836 0.805 428 2HD1 LEU 59 2HD1 LEU 59 -7.415 5.047 -0.944 429 3HD1 LEU 59 3HD1 LEU 59 -6.373 6.016 0.096 430 1HD2 LEU 59 1HD2 LEU 59 -9.836 7.579 -1.215 431 2HD2 LEU 59 2HD2 LEU 59 -8.299 7.163 -1.974 432 3HD2 LEU 59 3HD2 LEU 59 -9.483 5.902 -1.629 433 HA PRO 60 HA PRO 60 -10.601 9.222 5.003 434 1HB PRO 60 1HB PRO 60 -11.560 10.982 2.940 435 2HB PRO 60 2HB PRO 60 -10.250 11.268 4.090 436 1HG PRO 60 1HG PRO 60 -10.044 10.746 1.269 437 2HG PRO 60 2HG PRO 60 -8.740 11.062 2.416 438 1HD PRO 60 1HD PRO 60 -9.388 8.564 1.150 439 2HD PRO 60 2HD PRO 60 -8.118 8.869 2.358 440 H ASN 61 H ASN 61 -13.013 10.464 4.616 441 HA ASN 61 HA ASN 61 -14.964 8.450 4.737 442 1HB ASN 61 1HB ASN 61 -14.916 11.382 4.084 443 2HB ASN 61 2HB ASN 61 -16.435 10.502 3.917 444 1HD2 ASN 61 2HD2 ASN 61 -13.874 9.901 6.360 445 2HD2 ASN 61 1HD2 ASN 61 -14.852 10.264 7.698 446 H LYS 62 H LYS 62 -13.573 10.071 1.941 447 HA LYS 62 HA LYS 62 -15.502 8.931 0.035 448 1HB LYS 62 1HB LYS 62 -13.637 11.034 0.150 449 2HB LYS 62 2HB LYS 62 -12.994 9.922 -1.058 450 1HG LYS 62 1HG LYS 62 -15.710 9.995 -1.633 451 2HG LYS 62 2HG LYS 62 -15.336 11.664 -1.206 452 1HD LYS 62 1HD LYS 62 -13.358 10.326 -2.962 453 2HD LYS 62 2HD LYS 62 -14.935 10.630 -3.690 454 1HE LYS 62 1HE LYS 62 -13.302 12.751 -2.249 455 2HE LYS 62 2HE LYS 62 -13.347 12.547 -4.013 456 1HZ LYS 62 1HZ LYS 62 -15.890 12.532 -3.644 457 2HZ LYS 62 2HZ LYS 62 -15.524 13.313 -2.180 458 3HZ LYS 62 3HZ LYS 62 -15.073 14.019 -3.658 459 H THR 63 H THR 63 -14.760 6.701 1.207 460 HA THR 63 HA THR 63 -12.278 5.479 0.540 461 HB THR 63 HB THR 63 -14.907 4.021 0.707 462 HG1 THR 63 HG1 THR 63 -13.515 5.316 2.809 463 1HG2 THR 63 1HG2 THR 63 -12.071 3.551 1.632 464 2HG2 THR 63 2HG2 THR 63 -13.422 2.601 2.250 465 3HG2 THR 63 3HG2 THR 63 -13.034 2.568 0.529 466 H CYS 64 H CYS 64 -12.236 3.462 -0.980 467 HA CYS 64 HA CYS 64 -12.667 4.323 -3.695 468 1HB CYS 64 1HB CYS 64 -10.997 2.644 -2.594 469 2HB CYS 64 2HB CYS 64 -12.299 1.470 -2.788 Start of MODEL 27 1 1H LYS 1 1H LYS 1 7.189 5.403 10.021 2 2H LYS 1 2H LYS 1 7.216 6.557 8.774 3 3H LYS 1 3H LYS 1 7.119 7.060 10.391 4 HA LYS 1 HA LYS 1 4.915 6.259 10.629 5 1HB LYS 1 1HB LYS 1 5.501 8.401 9.330 6 2HB LYS 1 2HB LYS 1 5.136 7.481 7.870 7 1HG LYS 1 1HG LYS 1 3.141 7.437 10.101 8 2HG LYS 1 2HG LYS 1 3.241 8.885 9.097 9 1HD LYS 1 1HD LYS 1 3.298 6.905 7.201 10 2HD LYS 1 2HD LYS 1 2.239 6.194 8.419 11 1HE LYS 1 1HE LYS 1 1.101 8.581 8.404 12 2HE LYS 1 2HE LYS 1 1.837 8.690 6.793 13 1HZ LYS 1 1HZ LYS 1 0.919 6.199 6.743 14 2HZ LYS 1 2HZ LYS 1 -0.246 6.898 7.758 15 3HZ LYS 1 3HZ LYS 1 0.008 7.528 6.202 16 H ASP 2 H ASP 2 4.036 4.229 10.424 17 HA ASP 2 HA ASP 2 4.304 2.800 7.812 18 1HB ASP 2 1HB ASP 2 3.080 1.400 10.107 19 2HB ASP 2 2HB ASP 2 4.418 0.899 9.080 20 H GLY 3 H GLY 3 2.419 2.096 6.697 21 1HA GLY 3 1HA GLY 3 -0.232 2.303 7.840 22 2HA GLY 3 2HA GLY 3 0.100 3.658 6.761 23 H TYR 4 H TYR 4 -1.924 2.033 6.000 24 HA TYR 4 HA TYR 4 -0.853 0.013 4.094 25 1HB TYR 4 1HB TYR 4 -3.430 0.685 5.428 26 2HB TYR 4 2HB TYR 4 -3.543 -0.061 3.835 27 HD1 TYR 4 HD1 TYR 4 -2.217 -2.227 3.423 28 HD2 TYR 4 HD2 TYR 4 -2.956 -0.609 7.332 29 HE1 TYR 4 HE1 TYR 4 -1.735 -4.442 4.432 30 HE2 TYR 4 HE2 TYR 4 -2.471 -2.821 8.341 31 HH TYR 4 HH TYR 4 -2.289 -5.065 7.840 32 H LEU 5 H LEU 5 -0.126 1.083 2.239 33 HA LEU 5 HA LEU 5 -1.229 3.510 1.195 34 1HB LEU 5 1HB LEU 5 0.807 1.584 0.604 35 2HB LEU 5 2HB LEU 5 -0.105 1.893 -0.874 36 HG LEU 5 HG LEU 5 0.346 4.380 0.504 37 1HD1 LEU 5 1HD1 LEU 5 2.793 2.677 -0.048 38 2HD1 LEU 5 2HD1 LEU 5 2.839 4.417 0.236 39 3HD1 LEU 5 3HD1 LEU 5 2.293 3.329 1.512 40 1HD2 LEU 5 1HD2 LEU 5 -0.005 3.645 -2.027 41 2HD2 LEU 5 2HD2 LEU 5 0.927 5.089 -1.630 42 3HD2 LEU 5 3HD2 LEU 5 1.758 3.583 -2.017 43 H VAL 6 H VAL 6 -2.748 3.816 -0.490 44 HA VAL 6 HA VAL 6 -4.545 1.477 -1.005 45 HB VAL 6 HB VAL 6 -6.238 3.185 -1.396 46 1HG1 VAL 6 1HG1 VAL 6 -4.978 2.743 1.021 47 2HG1 VAL 6 2HG1 VAL 6 -4.997 4.502 0.908 48 3HG1 VAL 6 3HG1 VAL 6 -6.507 3.595 0.808 49 1HG2 VAL 6 1HG2 VAL 6 -3.817 4.930 -1.551 50 2HG2 VAL 6 2HG2 VAL 6 -5.293 4.969 -2.516 51 3HG2 VAL 6 3HG2 VAL 6 -5.289 5.639 -0.885 52 H GLU 7 H GLU 7 -5.784 2.078 -3.257 53 HA GLU 7 HA GLU 7 -3.610 2.307 -5.302 54 1HB GLU 7 1HB GLU 7 -5.839 0.570 -4.872 55 2HB GLU 7 2HB GLU 7 -6.151 1.472 -6.354 56 1HG GLU 7 1HG GLU 7 -3.587 0.879 -6.810 57 2HG GLU 7 2HG GLU 7 -3.968 -0.469 -5.738 58 H LYS 8 H LYS 8 -4.162 3.624 -7.254 59 HA LYS 8 HA LYS 8 -4.998 6.231 -6.750 60 1HB LYS 8 1HB LYS 8 -5.167 4.490 -9.218 61 2HB LYS 8 2HB LYS 8 -5.484 6.225 -9.258 62 1HG LYS 8 1HG LYS 8 -3.286 6.782 -8.790 63 2HG LYS 8 2HG LYS 8 -2.977 5.271 -7.933 64 1HD LYS 8 1HD LYS 8 -1.810 4.927 -9.923 65 2HD LYS 8 2HD LYS 8 -3.366 4.178 -10.288 66 1HE LYS 8 1HE LYS 8 -3.675 5.628 -11.999 67 2HE LYS 8 2HE LYS 8 -3.516 6.999 -10.882 68 1HZ LYS 8 1HZ LYS 8 -1.078 6.635 -10.954 69 2HZ LYS 8 2HZ LYS 8 -1.315 5.490 -12.188 70 3HZ LYS 8 3HZ LYS 8 -1.730 7.118 -12.443 71 H THR 9 H THR 9 -7.016 3.421 -7.494 72 HA THR 9 HA THR 9 -9.474 4.964 -7.798 73 HB THR 9 HB THR 9 -10.452 2.689 -7.845 74 HG1 THR 9 HG1 THR 9 -8.041 1.418 -7.633 75 1HG2 THR 9 1HG2 THR 9 -8.284 3.646 -9.507 76 2HG2 THR 9 2HG2 THR 9 -8.304 1.883 -9.468 77 3HG2 THR 9 3HG2 THR 9 -9.740 2.770 -9.978 78 H GLY 10 H GLY 10 -7.655 3.633 -5.161 79 1HA GLY 10 1HA GLY 10 -8.198 4.559 -2.905 80 2HA GLY 10 2HA GLY 10 -9.897 4.295 -3.296 81 H CYS 11 H CYS 11 -9.532 1.741 -4.552 82 HA CYS 11 HA CYS 11 -9.872 -0.055 -2.413 83 1HB CYS 11 1HB CYS 11 -8.580 -0.693 -5.086 84 2HB CYS 11 2HB CYS 11 -9.561 -1.770 -4.095 85 H LYS 12 H LYS 12 -8.351 -1.651 -1.493 86 HA LYS 12 HA LYS 12 -5.643 -0.522 -1.163 87 1HB LYS 12 1HB LYS 12 -5.510 -2.425 0.492 88 2HB LYS 12 2HB LYS 12 -6.842 -1.315 0.785 89 1HG LYS 12 1HG LYS 12 -8.390 -2.920 0.407 90 2HG LYS 12 2HG LYS 12 -7.562 -3.476 -1.049 91 1HD LYS 12 1HD LYS 12 -6.796 -5.258 0.083 92 2HD LYS 12 2HD LYS 12 -5.927 -4.178 1.169 93 1HE LYS 12 1HE LYS 12 -7.298 -5.019 2.790 94 2HE LYS 12 2HE LYS 12 -8.537 -3.968 2.079 95 1HZ LYS 12 1HZ LYS 12 -8.057 -6.459 0.672 96 2HZ LYS 12 2HZ LYS 12 -8.758 -6.631 2.205 97 3HZ LYS 12 3HZ LYS 12 -9.522 -5.677 1.025 98 H LYS 13 H LYS 13 -4.006 -2.636 -0.932 99 HA LYS 13 HA LYS 13 -4.170 -3.996 -3.605 100 1HB LYS 13 1HB LYS 13 -1.936 -2.779 -1.993 101 2HB LYS 13 2HB LYS 13 -1.578 -4.036 -3.180 102 1HG LYS 13 1HG LYS 13 -3.370 -2.208 -4.419 103 2HG LYS 13 2HG LYS 13 -2.110 -1.252 -3.639 104 1HD LYS 13 1HD LYS 13 -1.329 -1.787 -5.855 105 2HD LYS 13 2HD LYS 13 -0.408 -2.778 -4.723 106 1HE LYS 13 1HE LYS 13 -2.952 -3.945 -5.768 107 2HE LYS 13 2HE LYS 13 -1.578 -3.857 -6.887 108 1HZ LYS 13 1HZ LYS 13 -0.399 -4.637 -4.598 109 2HZ LYS 13 2HZ LYS 13 -1.894 -5.436 -4.485 110 3HZ LYS 13 3HZ LYS 13 -0.888 -5.697 -5.828 111 H THR 14 H THR 14 -5.408 -5.697 -2.395 112 HA THR 14 HA THR 14 -4.372 -7.189 -0.206 113 HB THR 14 HB THR 14 -6.142 -7.955 -2.554 114 HG1 THR 14 HG1 THR 14 -7.736 -7.605 -0.826 115 1HG2 THR 14 1HG2 THR 14 -5.619 -9.324 0.095 116 2HG2 THR 14 2HG2 THR 14 -7.005 -9.693 -0.930 117 3HG2 THR 14 3HG2 THR 14 -5.369 -9.987 -1.521 118 H CYS 15 H CYS 15 -3.148 -9.135 -0.164 119 HA CYS 15 HA CYS 15 -1.848 -9.983 -2.722 120 1HB CYS 15 1HB CYS 15 0.293 -10.076 -1.293 121 2HB CYS 15 2HB CYS 15 -0.289 -8.470 -1.732 122 H TYR 16 H TYR 16 -1.685 -12.212 -2.866 123 HA TYR 16 HA TYR 16 -2.678 -13.810 -0.570 124 1HB TYR 16 1HB TYR 16 -2.750 -13.899 -3.443 125 2HB TYR 16 2HB TYR 16 -2.022 -15.391 -2.846 126 HD1 TYR 16 HD1 TYR 16 -5.037 -13.259 -2.782 127 HD2 TYR 16 HD2 TYR 16 -3.281 -16.957 -1.481 128 HE1 TYR 16 HE1 TYR 16 -7.274 -14.080 -2.095 129 HE2 TYR 16 HE2 TYR 16 -5.518 -17.778 -0.794 130 HH TYR 16 HH TYR 16 -8.111 -15.858 -0.322 131 H LYS 17 H LYS 17 0.305 -12.876 -1.985 132 HA LYS 17 HA LYS 17 1.737 -15.275 -0.940 133 1HB LYS 17 1HB LYS 17 2.381 -12.970 -2.782 134 2HB LYS 17 2HB LYS 17 3.664 -13.988 -2.126 135 1HG LYS 17 1HG LYS 17 1.317 -15.384 -3.315 136 2HG LYS 17 2HG LYS 17 2.417 -14.574 -4.433 137 1HD LYS 17 1HD LYS 17 3.246 -16.582 -2.315 138 2HD LYS 17 2HD LYS 17 3.095 -16.924 -4.039 139 1HE LYS 17 1HE LYS 17 4.744 -14.890 -4.316 140 2HE LYS 17 2HE LYS 17 5.149 -15.240 -2.624 141 1HZ LYS 17 1HZ LYS 17 5.151 -17.683 -3.489 142 2HZ LYS 17 2HZ LYS 17 5.444 -16.953 -4.995 143 3HZ LYS 17 3HZ LYS 17 6.523 -16.705 -3.710 144 H LEU 18 H LEU 18 1.643 -14.805 1.340 145 HA LEU 18 HA LEU 18 2.278 -12.252 2.482 146 1HB LEU 18 1HB LEU 18 2.461 -15.085 3.551 147 2HB LEU 18 2HB LEU 18 2.513 -13.630 4.552 148 HG LEU 18 HG LEU 18 0.244 -14.512 2.758 149 1HD1 LEU 18 1HD1 LEU 18 0.648 -14.362 5.747 150 2HD1 LEU 18 2HD1 LEU 18 -0.966 -14.378 5.036 151 3HD1 LEU 18 3HD1 LEU 18 0.123 -15.743 4.782 152 1HD2 LEU 18 1HD2 LEU 18 0.795 -11.937 4.218 153 2HD2 LEU 18 2HD2 LEU 18 0.202 -12.177 2.575 154 3HD2 LEU 18 3HD2 LEU 18 -0.864 -12.470 3.946 155 H GLY 19 H GLY 19 4.211 -11.296 2.775 156 1HA GLY 19 1HA GLY 19 6.609 -11.798 3.612 157 2HA GLY 19 2HA GLY 19 6.678 -12.894 2.230 158 H GLU 20 H GLU 20 8.573 -11.300 1.789 159 HA GLU 20 HA GLU 20 8.225 -8.610 1.031 160 1HB GLU 20 1HB GLU 20 10.316 -10.143 1.194 161 2HB GLU 20 2HB GLU 20 9.953 -10.574 -0.479 162 1HG GLU 20 1HG GLU 20 9.946 -7.671 0.162 163 2HG GLU 20 2HG GLU 20 11.517 -8.471 0.173 164 H ASN 21 H ASN 21 6.115 -8.482 -0.017 165 HA ASN 21 HA ASN 21 5.446 -9.957 -2.405 166 1HB ASN 21 1HB ASN 21 4.121 -8.479 -0.593 167 2HB ASN 21 2HB ASN 21 4.328 -7.247 -1.839 168 1HD2 ASN 21 2HD2 ASN 21 2.865 -10.414 -1.167 169 2HD2 ASN 21 1HD2 ASN 21 1.831 -10.413 -2.513 170 H ASP 22 H ASP 22 7.400 -9.654 -3.750 171 HA ASP 22 HA ASP 22 8.631 -7.290 -4.531 172 1HB ASP 22 1HB ASP 22 8.272 -9.974 -5.507 173 2HB ASP 22 2HB ASP 22 8.204 -8.856 -6.871 174 H PHE 23 H PHE 23 5.422 -8.451 -5.432 175 HA PHE 23 HA PHE 23 4.900 -6.697 -7.623 176 1HB PHE 23 1HB PHE 23 3.604 -8.710 -6.365 177 2HB PHE 23 2HB PHE 23 2.741 -7.337 -5.671 178 HD1 PHE 23 HD1 PHE 23 3.655 -9.036 -8.835 179 HD2 PHE 23 HD2 PHE 23 1.273 -5.971 -6.997 180 HE1 PHE 23 HE1 PHE 23 2.361 -8.784 -10.934 181 HE2 PHE 23 HE2 PHE 23 -0.022 -5.719 -9.096 182 HZ PHE 23 HZ PHE 23 0.521 -7.125 -11.066 183 H CYS 24 H CYS 24 3.823 -6.327 -4.220 184 HA CYS 24 HA CYS 24 3.127 -3.542 -4.531 185 1HB CYS 24 1HB CYS 24 2.596 -5.498 -2.749 186 2HB CYS 24 2HB CYS 24 3.891 -4.675 -1.880 187 H ASN 25 H ASN 25 6.016 -5.250 -3.331 188 HA ASN 25 HA ASN 25 7.528 -3.165 -2.248 189 1HB ASN 25 1HB ASN 25 8.013 -5.692 -2.658 190 2HB ASN 25 2HB ASN 25 8.655 -5.166 -4.214 191 1HD2 ASN 25 2HD2 ASN 25 10.758 -4.292 -4.233 192 2HD2 ASN 25 1HD2 ASN 25 11.658 -3.949 -2.835 193 H ARG 26 H ARG 26 6.897 -3.929 -5.650 194 HA ARG 26 HA ARG 26 8.662 -1.885 -6.742 195 1HB ARG 26 1HB ARG 26 7.264 -4.121 -7.622 196 2HB ARG 26 2HB ARG 26 6.377 -2.785 -8.356 197 1HG ARG 26 1HG ARG 26 9.100 -2.140 -8.674 198 2HG ARG 26 2HG ARG 26 8.970 -3.853 -9.072 199 1HD ARG 26 1HD ARG 26 6.755 -2.345 -10.205 200 2HD ARG 26 2HD ARG 26 8.311 -1.711 -10.761 201 HE ARG 26 HE ARG 26 7.142 -4.186 -11.584 202 1HH1 ARG 26 1HH1 ARG 26 10.167 -2.939 -10.445 203 2HH1 ARG 26 2HH1 ARG 26 11.071 -4.301 -11.008 204 1HH2 ARG 26 1HH2 ARG 26 8.322 -5.931 -12.342 205 2HH2 ARG 26 2HH2 ARG 26 10.035 -5.984 -12.090 206 H GLU 27 H GLU 27 5.093 -2.203 -6.650 207 HA GLU 27 HA GLU 27 4.400 0.381 -7.512 208 1HB GLU 27 1HB GLU 27 3.223 -1.901 -6.205 209 2HB GLU 27 2HB GLU 27 2.620 -0.430 -5.443 210 1HG GLU 27 1HG GLU 27 1.514 0.257 -7.327 211 2HG GLU 27 2HG GLU 27 2.733 -0.413 -8.412 212 H CYS 28 H CYS 28 4.749 -0.722 -4.112 213 HA CYS 28 HA CYS 28 4.403 1.733 -2.803 214 1HB CYS 28 1HB CYS 28 4.749 -0.631 -1.891 215 2HB CYS 28 2HB CYS 28 6.479 -0.357 -2.094 216 H LYS 29 H LYS 29 7.505 0.343 -3.968 217 HA LYS 29 HA LYS 29 9.307 2.326 -3.277 218 1HB LYS 29 1HB LYS 29 8.933 0.424 -5.520 219 2HB LYS 29 2HB LYS 29 10.072 1.734 -5.832 220 1HG LYS 29 1HG LYS 29 11.387 1.157 -3.900 221 2HG LYS 29 2HG LYS 29 10.168 0.011 -3.345 222 1HD LYS 29 1HD LYS 29 11.481 -1.522 -4.403 223 2HD LYS 29 2HD LYS 29 10.652 -0.946 -5.849 224 1HE LYS 29 1HE LYS 29 12.516 0.127 -6.637 225 2HE LYS 29 2HE LYS 29 12.998 0.673 -5.018 226 1HZ LYS 29 1HZ LYS 29 13.054 -2.194 -5.695 227 2HZ LYS 29 2HZ LYS 29 14.352 -1.196 -6.151 228 3HZ LYS 29 3HZ LYS 29 13.942 -1.357 -4.513 229 H TRP 30 H TRP 30 7.457 2.333 -6.356 230 HA TRP 30 HA TRP 30 7.033 4.147 -7.834 231 1HB TRP 30 1HB TRP 30 6.017 4.550 -5.113 232 2HB TRP 30 2HB TRP 30 6.160 6.056 -6.017 233 HD1 TRP 30 HD1 TRP 30 3.473 4.146 -5.264 234 HE1 TRP 30 HE1 TRP 30 1.826 3.735 -7.203 235 HE3 TRP 30 HE3 TRP 30 6.492 5.246 -9.237 236 HZ2 TRP 30 HZ2 TRP 30 1.792 3.855 -10.059 237 HZ3 TRP 30 HZ3 TRP 30 5.625 5.088 -11.554 238 HH2 TRP 30 HH2 TRP 30 3.281 4.395 -11.970 239 H LYS 31 H LYS 31 7.189 6.951 -7.261 240 HA LYS 31 HA LYS 31 10.079 7.388 -6.630 241 1HB LYS 31 1HB LYS 31 8.840 7.323 -9.199 242 2HB LYS 31 2HB LYS 31 9.272 8.999 -8.863 243 1HG LYS 31 1HG LYS 31 11.576 8.262 -8.282 244 2HG LYS 31 2HG LYS 31 11.133 6.609 -8.711 245 1HD LYS 31 1HD LYS 31 12.233 7.619 -10.624 246 2HD LYS 31 2HD LYS 31 10.519 7.436 -11.002 247 1HE LYS 31 1HE LYS 31 11.365 9.689 -11.653 248 2HE LYS 31 2HE LYS 31 10.132 9.807 -10.383 249 1HZ LYS 31 1HZ LYS 31 12.776 9.353 -9.355 250 2HZ LYS 31 2HZ LYS 31 12.655 10.809 -10.216 251 3HZ LYS 31 3HZ LYS 31 11.623 10.515 -8.899 252 H HIS 32 H HIS 32 6.968 8.226 -5.932 253 HA HIS 32 HA HIS 32 7.793 10.986 -5.125 254 1HB HIS 32 1HB HIS 32 5.121 10.261 -6.347 255 2HB HIS 32 2HB HIS 32 5.767 11.877 -6.059 256 HD1 HIS 32 HD1 HIS 32 6.198 8.873 -8.301 257 HD2 HIS 32 HD2 HIS 32 7.587 12.794 -8.018 258 HE1 HIS 32 HE1 HIS 32 7.428 9.355 -10.462 259 H ILE 33 H ILE 33 6.255 8.032 -4.279 260 HA ILE 33 HA ILE 33 4.450 9.113 -2.256 261 HB ILE 33 HB ILE 33 5.601 6.338 -2.693 262 1HG1 ILE 33 1HG1 ILE 33 4.386 7.392 -4.655 263 2HG1 ILE 33 2HG1 ILE 33 3.650 5.910 -4.043 264 1HG2 ILE 33 1HG2 ILE 33 3.249 7.393 -1.105 265 2HG2 ILE 33 2HG2 ILE 33 3.420 5.694 -1.545 266 3HG2 ILE 33 3HG2 ILE 33 4.621 6.461 -0.507 267 1HD1 ILE 33 1HD1 ILE 33 2.088 7.293 -2.674 268 2HD1 ILE 33 2HD1 ILE 33 2.783 8.744 -3.397 269 3HD1 ILE 33 3HD1 ILE 33 1.911 7.588 -4.404 270 H GLY 34 H GLY 34 7.691 7.618 -2.246 271 1HA GLY 34 1HA GLY 34 9.395 8.369 -0.663 272 2HA GLY 34 2HA GLY 34 8.106 8.777 0.470 273 H GLY 35 H GLY 35 7.128 5.935 -0.797 274 1HA GLY 35 1HA GLY 35 7.600 4.422 1.561 275 2HA GLY 35 2HA GLY 35 7.114 3.736 0.011 276 H SER 36 H SER 36 9.772 4.297 2.162 277 HA SER 36 HA SER 36 11.889 3.646 0.272 278 1HB SER 36 1HB SER 36 13.116 4.391 2.025 279 2HB SER 36 2HB SER 36 11.596 4.672 2.869 280 HG SER 36 HG SER 36 13.309 2.427 2.954 281 H TYR 37 H TYR 37 9.542 1.807 1.974 282 HA TYR 37 HA TYR 37 10.603 -0.704 0.933 283 1HB TYR 37 1HB TYR 37 11.888 0.056 3.119 284 2HB TYR 37 2HB TYR 37 10.446 -0.554 3.930 285 HD1 TYR 37 HD1 TYR 37 9.714 -2.942 3.525 286 HD2 TYR 37 HD2 TYR 37 13.507 -1.431 2.191 287 HE1 TYR 37 HE1 TYR 37 10.541 -5.263 3.251 288 HE2 TYR 37 HE2 TYR 37 14.333 -3.752 1.913 289 HH TYR 37 HH TYR 37 13.439 -5.995 1.582 290 H GLY 38 H GLY 38 8.938 -2.205 0.805 291 1HA GLY 38 1HA GLY 38 6.586 -1.965 2.554 292 2HA GLY 38 2HA GLY 38 6.287 -1.644 0.847 293 H TYR 39 H TYR 39 4.998 -3.775 2.011 294 HA TYR 39 HA TYR 39 5.840 -5.976 0.337 295 1HB TYR 39 1HB TYR 39 6.710 -7.447 2.020 296 2HB TYR 39 2HB TYR 39 7.533 -5.906 2.246 297 HD1 TYR 39 HD1 TYR 39 6.051 -4.194 3.784 298 HD2 TYR 39 HD2 TYR 39 5.981 -8.486 3.962 299 HE1 TYR 39 HE1 TYR 39 5.217 -4.083 6.117 300 HE2 TYR 39 HE2 TYR 39 5.146 -8.374 6.297 301 HH TYR 39 HH TYR 39 3.780 -5.779 7.633 302 H CYS 40 H CYS 40 4.629 -8.110 1.550 303 HA CYS 40 HA CYS 40 1.804 -7.183 1.739 304 1HB CYS 40 1HB CYS 40 2.290 -8.819 0.042 305 2HB CYS 40 2HB CYS 40 3.174 -9.826 1.188 306 H TYR 41 H TYR 41 0.687 -7.341 3.636 307 HA TYR 41 HA TYR 41 1.635 -9.187 5.774 308 1HB TYR 41 1HB TYR 41 2.725 -6.942 6.026 309 2HB TYR 41 2HB TYR 41 1.122 -6.213 6.131 310 HD1 TYR 41 HD1 TYR 41 3.083 -9.025 7.668 311 HD2 TYR 41 HD2 TYR 41 0.213 -5.882 8.245 312 HE1 TYR 41 HE1 TYR 41 3.006 -9.541 10.092 313 HE2 TYR 41 HE2 TYR 41 0.133 -6.399 10.669 314 HH TYR 41 HH TYR 41 2.411 -8.221 12.235 315 H GLY 42 H GLY 42 -0.186 -10.301 6.387 316 1HA GLY 42 1HA GLY 42 -2.425 -10.707 6.985 317 2HA GLY 42 2HA GLY 42 -2.628 -8.960 7.135 318 H PHE 43 H PHE 43 -1.564 -10.696 4.239 319 HA PHE 43 HA PHE 43 -2.508 -10.793 2.079 320 1HB PHE 43 1HB PHE 43 -4.995 -10.601 3.809 321 2HB PHE 43 2HB PHE 43 -4.994 -11.072 2.109 322 HD1 PHE 43 HD1 PHE 43 -3.689 -13.117 1.395 323 HD2 PHE 43 HD2 PHE 43 -4.408 -12.156 5.518 324 HE1 PHE 43 HE1 PHE 43 -3.132 -15.446 2.035 325 HE2 PHE 43 HE2 PHE 43 -3.852 -14.486 6.159 326 HZ PHE 43 HZ PHE 43 -3.213 -16.131 4.416 327 H GLY 44 H GLY 44 -1.635 -8.227 2.973 328 1HA GLY 44 1HA GLY 44 -3.298 -6.524 1.238 329 2HA GLY 44 2HA GLY 44 -3.182 -6.004 2.918 330 H CYS 45 H CYS 45 -2.157 -4.131 1.470 331 HA CYS 45 HA CYS 45 0.764 -4.689 1.103 332 1HB CYS 45 1HB CYS 45 -1.316 -3.066 -0.245 333 2HB CYS 45 2HB CYS 45 0.266 -2.298 -0.111 334 H TYR 46 H TYR 46 1.936 -4.000 2.858 335 HA TYR 46 HA TYR 46 1.029 -1.551 4.323 336 1HB TYR 46 1HB TYR 46 1.436 -4.011 5.272 337 2HB TYR 46 2HB TYR 46 3.110 -3.461 5.311 338 HD1 TYR 46 HD1 TYR 46 -0.257 -1.970 6.072 339 HD2 TYR 46 HD2 TYR 46 3.786 -2.614 7.380 340 HE1 TYR 46 HE1 TYR 46 -0.731 -0.715 8.157 341 HE2 TYR 46 HE2 TYR 46 3.308 -1.358 9.466 342 HH TYR 46 HH TYR 46 0.763 -0.891 10.791 343 H CYS 47 H CYS 47 2.292 0.260 4.031 344 HA CYS 47 HA CYS 47 5.103 -0.133 3.051 345 1HB CYS 47 1HB CYS 47 2.868 1.724 2.279 346 2HB CYS 47 2HB CYS 47 4.540 2.216 2.012 347 H GLU 48 H GLU 48 6.615 1.554 3.743 348 HA GLU 48 HA GLU 48 5.726 3.019 6.209 349 1HB GLU 48 1HB GLU 48 8.170 1.359 5.582 350 2HB GLU 48 2HB GLU 48 8.190 2.549 6.884 351 1HG GLU 48 1HG GLU 48 6.044 1.413 7.730 352 2HG GLU 48 2HG GLU 48 6.447 0.097 6.627 353 H GLY 49 H GLY 49 6.622 5.109 6.474 354 1HA GLY 49 1HA GLY 49 8.124 6.917 5.902 355 2HA GLY 49 2HA GLY 49 8.505 6.085 4.396 356 H LEU 50 H LEU 50 5.308 6.812 5.749 357 HA LEU 50 HA LEU 50 4.600 8.151 3.185 358 1HB LEU 50 1HB LEU 50 2.784 7.395 5.479 359 2HB LEU 50 2HB LEU 50 2.362 7.587 3.778 360 HG LEU 50 HG LEU 50 4.103 5.405 4.967 361 1HD1 LEU 50 1HD1 LEU 50 1.363 5.569 4.869 362 2HD1 LEU 50 2HD1 LEU 50 1.727 4.743 3.354 363 3HD1 LEU 50 3HD1 LEU 50 2.274 4.059 4.884 364 1HD2 LEU 50 1HD2 LEU 50 3.371 6.074 2.101 365 2HD2 LEU 50 2HD2 LEU 50 4.989 5.983 2.797 366 3HD2 LEU 50 3HD2 LEU 50 4.032 4.516 2.596 367 HA PRO 51 HA PRO 51 5.244 12.016 5.462 368 1HB PRO 51 1HB PRO 51 3.939 13.294 3.198 369 2HB PRO 51 2HB PRO 51 5.632 13.387 3.694 370 1HG PRO 51 1HG PRO 51 4.581 11.996 1.450 371 2HG PRO 51 2HG PRO 51 6.244 11.963 2.043 372 1HD PRO 51 1HD PRO 51 4.268 9.849 2.151 373 2HD PRO 51 2HD PRO 51 5.961 9.799 2.699 374 H ASP 52 H ASP 52 3.743 13.683 6.310 375 HA ASP 52 HA ASP 52 1.234 12.661 7.199 376 1HB ASP 52 1HB ASP 52 2.773 15.193 7.231 377 2HB ASP 52 2HB ASP 52 1.035 15.372 7.469 378 H SER 53 H SER 53 2.108 14.492 4.323 379 HA SER 53 HA SER 53 -0.648 15.254 3.689 380 1HB SER 53 1HB SER 53 1.814 16.198 3.081 381 2HB SER 53 2HB SER 53 1.494 15.249 1.632 382 HG SER 53 HG SER 53 0.634 17.267 1.304 383 H THR 54 H THR 54 0.758 12.287 3.668 384 HA THR 54 HA THR 54 -0.359 11.441 1.035 385 HB THR 54 HB THR 54 1.015 9.588 2.937 386 HG1 THR 54 HG1 THR 54 2.728 11.076 1.411 387 1HG2 THR 54 1HG2 THR 54 0.256 9.554 0.255 388 2HG2 THR 54 2HG2 THR 54 1.997 9.831 0.201 389 3HG2 THR 54 3HG2 THR 54 1.354 8.417 1.037 390 H GLN 55 H GLN 55 -2.001 9.818 0.930 391 HA GLN 55 HA GLN 55 -3.706 9.648 3.349 392 1HB GLN 55 1HB GLN 55 -4.000 9.673 0.484 393 2HB GLN 55 2HB GLN 55 -4.783 8.232 1.134 394 1HG GLN 55 1HG GLN 55 -5.222 11.009 2.259 395 2HG GLN 55 2HG GLN 55 -6.266 10.284 1.036 396 1HE2 GLN 55 2HE2 GLN 55 -6.675 7.718 1.829 397 2HE2 GLN 55 1HE2 GLN 55 -7.309 7.638 3.402 398 H THR 56 H THR 56 -4.809 7.384 3.605 399 HA THR 56 HA THR 56 -3.039 5.090 3.010 400 HB THR 56 HB THR 56 -3.536 4.908 5.765 401 HG1 THR 56 HG1 THR 56 -4.052 7.125 5.743 402 1HG2 THR 56 1HG2 THR 56 -1.504 4.217 4.519 403 2HG2 THR 56 2HG2 THR 56 -1.052 5.913 4.363 404 3HG2 THR 56 3HG2 THR 56 -1.120 5.163 5.958 405 H TRP 57 H TRP 57 -4.168 3.062 3.311 406 HA TRP 57 HA TRP 57 -7.037 3.176 3.025 407 1HB TRP 57 1HB TRP 57 -5.087 1.466 2.345 408 2HB TRP 57 2HB TRP 57 -5.576 0.705 3.853 409 HD1 TRP 57 HD1 TRP 57 -6.982 1.760 0.444 410 HE1 TRP 57 HE1 TRP 57 -9.101 0.372 -0.041 411 HE3 TRP 57 HE3 TRP 57 -7.447 -0.723 4.882 412 HZ2 TRP 57 HZ2 TRP 57 -10.773 -1.534 1.279 413 HZ3 TRP 57 HZ3 TRP 57 -9.311 -2.315 5.241 414 HH2 TRP 57 HH2 TRP 57 -10.974 -2.723 3.448 415 HA PRO 58 HA PRO 58 -8.771 1.942 3.424 416 1HB PRO 58 1HB PRO 58 -11.037 3.011 4.741 417 2HB PRO 58 2HB PRO 58 -10.643 1.304 4.525 418 1HG PRO 58 1HG PRO 58 -10.582 2.862 6.961 419 2HG PRO 58 2HG PRO 58 -10.316 1.128 6.758 420 1HD PRO 58 1HD PRO 58 -8.349 3.177 7.298 421 2HD PRO 58 2HD PRO 58 -8.083 1.426 7.110 422 H LEU 59 H LEU 59 -10.515 3.586 2.451 423 HA LEU 59 HA LEU 59 -9.190 6.248 2.378 424 1HB LEU 59 1HB LEU 59 -10.773 6.373 0.261 425 2HB LEU 59 2HB LEU 59 -9.280 5.460 0.194 426 HG LEU 59 HG LEU 59 -11.379 4.371 -0.772 427 1HD1 LEU 59 1HD1 LEU 59 -9.194 3.293 0.689 428 2HD1 LEU 59 2HD1 LEU 59 -10.617 2.320 1.062 429 3HD1 LEU 59 3HD1 LEU 59 -10.116 2.542 -0.614 430 1HD2 LEU 59 1HD2 LEU 59 -12.056 4.307 2.166 431 2HD2 LEU 59 2HD2 LEU 59 -13.065 4.810 0.819 432 3HD2 LEU 59 3HD2 LEU 59 -12.687 3.105 1.053 433 HA PRO 60 HA PRO 60 -12.399 8.665 4.121 434 1HB PRO 60 1HB PRO 60 -13.149 9.973 1.623 435 2HB PRO 60 2HB PRO 60 -12.326 10.651 3.032 436 1HG PRO 60 1HG PRO 60 -11.166 10.027 0.518 437 2HG PRO 60 2HG PRO 60 -10.321 10.537 1.982 438 1HD PRO 60 1HD PRO 60 -10.271 7.950 0.732 439 2HD PRO 60 2HD PRO 60 -9.437 8.453 2.217 440 H ASN 61 H ASN 61 -14.811 9.564 3.117 441 HA ASN 61 HA ASN 61 -16.570 7.396 3.358 442 1HB ASN 61 1HB ASN 61 -16.828 10.039 1.892 443 2HB ASN 61 2HB ASN 61 -18.197 9.003 2.305 444 1HD2 ASN 61 2HD2 ASN 61 -15.759 11.182 3.640 445 2HD2 ASN 61 1HD2 ASN 61 -16.409 11.242 5.207 446 H LYS 62 H LYS 62 -14.758 8.434 0.573 447 HA LYS 62 HA LYS 62 -16.405 7.072 -1.414 448 1HB LYS 62 1HB LYS 62 -14.434 8.981 -1.388 449 2HB LYS 62 2HB LYS 62 -13.543 7.570 -1.959 450 1HG LYS 62 1HG LYS 62 -16.144 7.762 -3.246 451 2HG LYS 62 2HG LYS 62 -15.192 9.226 -3.502 452 1HD LYS 62 1HD LYS 62 -13.313 7.241 -3.859 453 2HD LYS 62 2HD LYS 62 -14.764 6.509 -4.546 454 1HE LYS 62 1HE LYS 62 -14.344 7.725 -6.420 455 2HE LYS 62 2HE LYS 62 -14.789 9.164 -5.482 456 1HZ LYS 62 1HZ LYS 62 -12.337 8.698 -4.554 457 2HZ LYS 62 2HZ LYS 62 -12.153 8.136 -6.148 458 3HZ LYS 62 3HZ LYS 62 -12.652 9.732 -5.865 459 H THR 63 H THR 63 -16.583 4.904 -0.466 460 HA THR 63 HA THR 63 -14.246 3.296 0.122 461 HB THR 63 HB THR 63 -17.006 2.298 -0.584 462 HG1 THR 63 HG1 THR 63 -17.779 3.253 1.114 463 1HG2 THR 63 1HG2 THR 63 -14.929 1.452 1.456 464 2HG2 THR 63 2HG2 THR 63 -16.490 0.672 1.203 465 3HG2 THR 63 3HG2 THR 63 -15.267 0.633 -0.068 466 H CYS 64 H CYS 64 -13.749 1.260 -1.093 467 HA CYS 64 HA CYS 64 -13.175 1.755 -3.857 468 1HB CYS 64 1HB CYS 64 -11.838 0.283 -2.484 469 2HB CYS 64 2HB CYS 64 -13.236 -0.722 -2.111 Start of MODEL 28 1 1H LYS 1 1H LYS 1 4.168 6.761 10.632 2 2H LYS 1 2H LYS 1 4.313 8.433 10.874 3 3H LYS 1 3H LYS 1 2.813 7.767 10.437 4 HA LYS 1 HA LYS 1 3.500 8.570 8.410 5 1HB LYS 1 1HB LYS 1 6.067 8.225 7.899 6 2HB LYS 1 2HB LYS 1 5.558 9.519 8.982 7 1HG LYS 1 1HG LYS 1 6.440 8.503 10.826 8 2HG LYS 1 2HG LYS 1 6.007 6.887 10.268 9 1HD LYS 1 1HD LYS 1 8.057 8.238 8.633 10 2HD LYS 1 2HD LYS 1 8.558 7.870 10.285 11 1HE LYS 1 1HE LYS 1 7.109 5.622 9.162 12 2HE LYS 1 2HE LYS 1 8.479 6.065 8.126 13 1HZ LYS 1 1HZ LYS 1 8.711 5.903 11.075 14 2HZ LYS 1 2HZ LYS 1 9.007 4.564 10.076 15 3HZ LYS 1 3HZ LYS 1 9.962 5.961 9.927 16 H ASP 2 H ASP 2 2.973 5.745 9.552 17 HA ASP 2 HA ASP 2 3.894 4.200 7.139 18 1HB ASP 2 1HB ASP 2 3.149 3.079 9.854 19 2HB ASP 2 2HB ASP 2 4.106 2.311 8.588 20 H GLY 3 H GLY 3 2.199 3.143 5.992 21 1HA GLY 3 1HA GLY 3 -0.395 2.675 7.246 22 2HA GLY 3 2HA GLY 3 -0.427 4.007 6.094 23 H TYR 4 H TYR 4 -2.019 2.421 5.078 24 HA TYR 4 HA TYR 4 -0.716 0.210 3.570 25 1HB TYR 4 1HB TYR 4 -3.561 1.076 4.118 26 2HB TYR 4 2HB TYR 4 -3.168 -0.243 3.016 27 HD1 TYR 4 HD1 TYR 4 -2.187 -2.330 3.836 28 HD2 TYR 4 HD2 TYR 4 -3.186 0.872 6.522 29 HE1 TYR 4 HE1 TYR 4 -1.969 -3.877 5.762 30 HE2 TYR 4 HE2 TYR 4 -2.968 -0.676 8.449 31 HH TYR 4 HH TYR 4 -1.966 -2.749 9.038 32 H LEU 5 H LEU 5 -1.525 -0.006 1.228 33 HA LEU 5 HA LEU 5 -1.492 2.693 -0.083 34 1HB LEU 5 1HB LEU 5 -0.620 -0.014 -1.150 35 2HB LEU 5 2HB LEU 5 -0.341 1.554 -1.908 36 HG LEU 5 HG LEU 5 0.679 0.905 0.862 37 1HD1 LEU 5 1HD1 LEU 5 1.595 -0.710 -0.807 38 2HD1 LEU 5 2HD1 LEU 5 2.170 0.653 -1.769 39 3HD1 LEU 5 3HD1 LEU 5 2.831 0.369 -0.159 40 1HD2 LEU 5 1HD2 LEU 5 0.543 3.249 -0.715 41 2HD2 LEU 5 2HD2 LEU 5 1.432 3.029 0.793 42 3HD2 LEU 5 3HD2 LEU 5 2.230 2.735 -0.753 43 H VAL 6 H VAL 6 -2.945 3.001 -1.871 44 HA VAL 6 HA VAL 6 -5.223 1.057 -1.918 45 HB VAL 6 HB VAL 6 -6.579 2.957 -2.455 46 1HG1 VAL 6 1HG1 VAL 6 -4.425 3.686 -0.454 47 2HG1 VAL 6 2HG1 VAL 6 -5.924 4.594 -0.652 48 3HG1 VAL 6 3HG1 VAL 6 -5.974 2.915 -0.117 49 1HG2 VAL 6 1HG2 VAL 6 -3.947 4.116 -3.274 50 2HG2 VAL 6 2HG2 VAL 6 -5.517 4.221 -4.072 51 3HG2 VAL 6 3HG2 VAL 6 -5.175 5.227 -2.664 52 H GLU 7 H GLU 7 -6.429 1.787 -4.256 53 HA GLU 7 HA GLU 7 -4.380 1.462 -6.409 54 1HB GLU 7 1HB GLU 7 -6.451 -0.405 -5.438 55 2HB GLU 7 2HB GLU 7 -6.420 -0.201 -7.190 56 1HG GLU 7 1HG GLU 7 -4.889 -1.961 -6.776 57 2HG GLU 7 2HG GLU 7 -3.873 -0.538 -7.006 58 H LYS 8 H LYS 8 -5.914 1.333 -8.603 59 HA LYS 8 HA LYS 8 -6.815 3.906 -9.184 60 1HB LYS 8 1HB LYS 8 -7.427 1.145 -10.197 61 2HB LYS 8 2HB LYS 8 -8.307 2.518 -10.870 62 1HG LYS 8 1HG LYS 8 -5.852 3.551 -11.020 63 2HG LYS 8 2HG LYS 8 -5.403 1.846 -11.070 64 1HD LYS 8 1HD LYS 8 -6.053 1.696 -13.215 65 2HD LYS 8 2HD LYS 8 -7.664 2.283 -12.798 66 1HE LYS 8 1HE LYS 8 -5.608 4.398 -12.805 67 2HE LYS 8 2HE LYS 8 -5.893 3.657 -14.393 68 1HZ LYS 8 1HZ LYS 8 -8.054 4.559 -12.565 69 2HZ LYS 8 2HZ LYS 8 -7.467 5.485 -13.857 70 3HZ LYS 8 3HZ LYS 8 -8.232 3.999 -14.159 71 H THR 9 H THR 9 -8.948 1.142 -8.324 72 HA THR 9 HA THR 9 -11.346 2.695 -8.098 73 HB THR 9 HB THR 9 -11.809 0.572 -6.510 74 HG1 THR 9 HG1 THR 9 -10.298 -0.895 -6.636 75 1HG2 THR 9 1HG2 THR 9 -11.837 1.074 -9.382 76 2HG2 THR 9 2HG2 THR 9 -11.639 -0.639 -9.014 77 3HG2 THR 9 3HG2 THR 9 -13.027 0.245 -8.378 78 H GLY 10 H GLY 10 -8.647 2.221 -5.947 79 1HA GLY 10 1HA GLY 10 -8.229 3.692 -4.068 80 2HA GLY 10 2HA GLY 10 -9.964 3.999 -3.962 81 H CYS 11 H CYS 11 -9.063 0.715 -4.441 82 HA CYS 11 HA CYS 11 -9.914 0.104 -1.651 83 1HB CYS 11 1HB CYS 11 -9.511 -1.735 -4.029 84 2HB CYS 11 2HB CYS 11 -10.448 -2.065 -2.572 85 H LYS 12 H LYS 12 -8.631 -1.320 -0.335 86 HA LYS 12 HA LYS 12 -5.809 -0.974 -0.416 87 1HB LYS 12 1HB LYS 12 -5.933 -2.917 1.247 88 2HB LYS 12 2HB LYS 12 -6.949 -1.525 1.619 89 1HG LYS 12 1HG LYS 12 -8.913 -2.624 1.022 90 2HG LYS 12 2HG LYS 12 -8.077 -3.750 -0.048 91 1HD LYS 12 1HD LYS 12 -8.182 -5.236 1.648 92 2HD LYS 12 2HD LYS 12 -6.951 -4.256 2.446 93 1HE LYS 12 1HE LYS 12 -9.084 -2.805 3.157 94 2HE LYS 12 2HE LYS 12 -9.894 -4.371 2.955 95 1HZ LYS 12 1HZ LYS 12 -7.320 -4.156 4.391 96 2HZ LYS 12 2HZ LYS 12 -8.790 -3.888 5.201 97 3HZ LYS 12 3HZ LYS 12 -8.484 -5.391 4.477 98 H LYS 13 H LYS 13 -4.506 -3.295 -0.206 99 HA LYS 13 HA LYS 13 -5.085 -4.838 -2.715 100 1HB LYS 13 1HB LYS 13 -3.210 -3.021 -2.690 101 2HB LYS 13 2HB LYS 13 -2.315 -4.183 -1.710 102 1HG LYS 13 1HG LYS 13 -3.243 -5.772 -3.751 103 2HG LYS 13 2HG LYS 13 -2.942 -4.247 -4.586 104 1HD LYS 13 1HD LYS 13 -0.657 -4.195 -3.563 105 2HD LYS 13 2HD LYS 13 -0.967 -5.793 -2.883 106 1HE LYS 13 1HE LYS 13 -1.308 -6.703 -5.161 107 2HE LYS 13 2HE LYS 13 -0.979 -5.099 -5.844 108 1HZ LYS 13 1HZ LYS 13 1.078 -5.374 -4.170 109 2HZ LYS 13 2HZ LYS 13 0.849 -6.997 -4.619 110 3HZ LYS 13 3HZ LYS 13 1.144 -5.818 -5.806 111 H THR 14 H THR 14 -5.916 -6.656 -1.548 112 HA THR 14 HA THR 14 -4.505 -7.771 0.749 113 HB THR 14 HB THR 14 -6.792 -8.629 -1.034 114 HG1 THR 14 HG1 THR 14 -7.390 -8.383 1.530 115 1HG2 THR 14 1HG2 THR 14 -5.611 -10.048 1.370 116 2HG2 THR 14 2HG2 THR 14 -7.185 -10.426 0.668 117 3HG2 THR 14 3HG2 THR 14 -5.716 -10.671 -0.277 118 H CYS 15 H CYS 15 -3.664 -10.020 0.739 119 HA CYS 15 HA CYS 15 -2.849 -11.190 -1.843 120 1HB CYS 15 1HB CYS 15 -0.492 -10.864 -1.476 121 2HB CYS 15 2HB CYS 15 -1.258 -9.292 -1.246 122 H TYR 16 H TYR 16 -2.758 -13.405 -1.570 123 HA TYR 16 HA TYR 16 -3.251 -14.566 1.053 124 1HB TYR 16 1HB TYR 16 -2.980 -15.411 -1.788 125 2HB TYR 16 2HB TYR 16 -2.673 -16.654 -0.573 126 HD1 TYR 16 HD1 TYR 16 -4.446 -16.347 1.544 127 HD2 TYR 16 HD2 TYR 16 -5.162 -15.408 -2.585 128 HE1 TYR 16 HE1 TYR 16 -6.885 -16.593 1.913 129 HE2 TYR 16 HE2 TYR 16 -7.604 -15.653 -2.218 130 HH TYR 16 HH TYR 16 -9.082 -15.472 0.490 131 H LYS 17 H LYS 17 -0.434 -13.704 -0.730 132 HA LYS 17 HA LYS 17 1.290 -15.568 0.838 133 1HB LYS 17 1HB LYS 17 1.250 -14.925 -1.793 134 2HB LYS 17 2HB LYS 17 2.384 -13.706 -1.210 135 1HG LYS 17 1HG LYS 17 3.359 -15.855 0.091 136 2HG LYS 17 2HG LYS 17 2.673 -16.665 -1.317 137 1HD LYS 17 1HD LYS 17 4.154 -14.222 -1.996 138 2HD LYS 17 2HD LYS 17 5.157 -15.456 -1.235 139 1HE LYS 17 1HE LYS 17 3.907 -17.071 -2.931 140 2HE LYS 17 2HE LYS 17 3.685 -15.566 -3.846 141 1HZ LYS 17 1HZ LYS 17 6.215 -15.315 -3.030 142 2HZ LYS 17 2HZ LYS 17 6.128 -17.002 -3.215 143 3HZ LYS 17 3HZ LYS 17 5.778 -15.982 -4.528 144 H LEU 18 H LEU 18 1.168 -14.413 2.872 145 HA LEU 18 HA LEU 18 1.774 -11.583 3.091 146 1HB LEU 18 1HB LEU 18 1.543 -13.958 4.938 147 2HB LEU 18 2HB LEU 18 2.078 -12.396 5.558 148 HG LEU 18 HG LEU 18 -0.507 -12.883 4.046 149 1HD1 LEU 18 1HD1 LEU 18 0.175 -12.615 6.970 150 2HD1 LEU 18 2HD1 LEU 18 -1.419 -12.154 6.372 151 3HD1 LEU 18 3HD1 LEU 18 -0.851 -13.814 6.181 152 1HD2 LEU 18 1HD2 LEU 18 1.012 -10.522 4.468 153 2HD2 LEU 18 2HD2 LEU 18 -0.626 -10.643 3.826 154 3HD2 LEU 18 3HD2 LEU 18 -0.370 -10.436 5.558 155 H GLY 19 H GLY 19 3.770 -10.646 3.799 156 1HA GLY 19 1HA GLY 19 6.082 -11.208 4.740 157 2HA GLY 19 2HA GLY 19 6.138 -12.447 3.486 158 H GLU 20 H GLU 20 8.141 -11.164 2.908 159 HA GLU 20 HA GLU 20 8.034 -8.508 1.864 160 1HB GLU 20 1HB GLU 20 10.130 -9.509 2.402 161 2HB GLU 20 2HB GLU 20 9.793 -10.927 1.411 162 1HG GLU 20 1HG GLU 20 9.608 -8.554 -0.215 163 2HG GLU 20 2HG GLU 20 11.156 -8.571 0.630 164 H ASN 21 H ASN 21 5.800 -8.980 0.698 165 HA ASN 21 HA ASN 21 5.877 -10.473 -1.794 166 1HB ASN 21 1HB ASN 21 3.965 -9.454 -0.114 167 2HB ASN 21 2HB ASN 21 3.903 -8.295 -1.443 168 1HD2 ASN 21 2HD2 ASN 21 2.006 -10.618 -0.624 169 2HD2 ASN 21 1HD2 ASN 21 1.816 -11.497 -2.064 170 H ASP 22 H ASP 22 7.703 -9.612 -2.937 171 HA ASP 22 HA ASP 22 8.596 -7.092 -3.444 172 1HB ASP 22 1HB ASP 22 8.679 -9.623 -4.659 173 2HB ASP 22 2HB ASP 22 8.230 -8.510 -5.952 174 H PHE 23 H PHE 23 5.823 -8.525 -5.228 175 HA PHE 23 HA PHE 23 5.141 -6.511 -6.976 176 1HB PHE 23 1HB PHE 23 3.895 -8.705 -5.669 177 2HB PHE 23 2HB PHE 23 2.772 -7.348 -5.567 178 HD1 PHE 23 HD1 PHE 23 4.752 -9.454 -7.895 179 HD2 PHE 23 HD2 PHE 23 1.693 -6.462 -7.519 180 HE1 PHE 23 HE1 PHE 23 4.166 -9.749 -10.287 181 HE2 PHE 23 HE2 PHE 23 1.108 -6.757 -9.910 182 HZ PHE 23 HZ PHE 23 2.345 -8.400 -11.294 183 H CYS 24 H CYS 24 4.798 -6.420 -3.465 184 HA CYS 24 HA CYS 24 3.151 -4.039 -3.361 185 1HB CYS 24 1HB CYS 24 3.706 -5.948 -1.634 186 2HB CYS 24 2HB CYS 24 5.069 -4.910 -1.215 187 H ASN 25 H ASN 25 6.646 -4.568 -2.722 188 HA ASN 25 HA ASN 25 7.421 -1.911 -2.285 189 1HB ASN 25 1HB ASN 25 9.324 -3.107 -2.049 190 2HB ASN 25 2HB ASN 25 8.572 -4.478 -2.852 191 1HD2 ASN 25 2HD2 ASN 25 10.025 -5.170 -4.429 192 2HD2 ASN 25 1HD2 ASN 25 10.829 -4.152 -5.523 193 H ARG 26 H ARG 26 7.056 -3.605 -5.407 194 HA ARG 26 HA ARG 26 7.983 -1.500 -7.099 195 1HB ARG 26 1HB ARG 26 6.495 -4.023 -7.252 196 2HB ARG 26 2HB ARG 26 6.014 -2.872 -8.498 197 1HG ARG 26 1HG ARG 26 7.830 -4.135 -9.409 198 2HG ARG 26 2HG ARG 26 8.488 -2.552 -8.995 199 1HD ARG 26 1HD ARG 26 8.857 -3.914 -6.646 200 2HD ARG 26 2HD ARG 26 9.108 -5.201 -7.838 201 HE ARG 26 HE ARG 26 10.916 -3.038 -7.309 202 1HH1 ARG 26 1HH1 ARG 26 9.458 -4.701 -9.971 203 2HH1 ARG 26 2HH1 ARG 26 10.581 -4.079 -11.129 204 1HH2 ARG 26 1HH2 ARG 26 12.384 -2.247 -8.814 205 2HH2 ARG 26 2HH2 ARG 26 12.234 -2.703 -10.478 206 H GLU 27 H GLU 27 4.672 -2.312 -6.006 207 HA GLU 27 HA GLU 27 3.318 -0.227 -7.403 208 1HB GLU 27 1HB GLU 27 2.527 -2.355 -6.101 209 2HB GLU 27 2HB GLU 27 2.489 -1.276 -4.706 210 1HG GLU 27 1HG GLU 27 0.718 -0.061 -5.518 211 2HG GLU 27 2HG GLU 27 1.215 -0.265 -7.198 212 H CYS 28 H CYS 28 4.390 -0.312 -3.970 213 HA CYS 28 HA CYS 28 3.599 2.251 -3.176 214 1HB CYS 28 1HB CYS 28 4.985 0.196 -2.095 215 2HB CYS 28 2HB CYS 28 6.310 1.330 -2.365 216 H LYS 29 H LYS 29 6.543 1.331 -4.970 217 HA LYS 29 HA LYS 29 7.968 3.733 -4.991 218 1HB LYS 29 1HB LYS 29 7.792 1.299 -6.480 219 2HB LYS 29 2HB LYS 29 7.925 2.628 -7.634 220 1HG LYS 29 1HG LYS 29 9.783 3.430 -5.863 221 2HG LYS 29 2HG LYS 29 9.879 1.689 -5.592 222 1HD LYS 29 1HD LYS 29 9.743 2.327 -8.432 223 2HD LYS 29 2HD LYS 29 11.122 3.105 -7.653 224 1HE LYS 29 1HE LYS 29 11.257 0.619 -6.527 225 2HE LYS 29 2HE LYS 29 10.624 0.227 -8.137 226 1HZ LYS 29 1HZ LYS 29 12.354 1.638 -9.102 227 2HZ LYS 29 2HZ LYS 29 12.993 1.925 -7.554 228 3HZ LYS 29 3HZ LYS 29 13.027 0.360 -8.209 229 H TRP 30 H TRP 30 4.877 3.067 -6.428 230 HA TRP 30 HA TRP 30 4.468 4.655 -8.576 231 1HB TRP 30 1HB TRP 30 2.978 3.936 -6.157 232 2HB TRP 30 2HB TRP 30 2.386 5.417 -6.911 233 HD1 TRP 30 HD1 TRP 30 1.417 2.088 -6.959 234 HE1 TRP 30 HE1 TRP 30 0.560 1.277 -9.251 235 HE3 TRP 30 HE3 TRP 30 3.317 5.759 -9.957 236 HZ2 TRP 30 HZ2 TRP 30 0.668 2.082 -11.996 237 HZ3 TRP 30 HZ3 TRP 30 2.925 5.714 -12.403 238 HH2 TRP 30 HH2 TRP 30 1.605 3.881 -13.426 239 H LYS 31 H LYS 31 5.385 6.609 -9.042 240 HA LYS 31 HA LYS 31 5.967 8.886 -8.855 241 1HB LYS 31 1HB LYS 31 3.502 8.432 -7.230 242 2HB LYS 31 2HB LYS 31 4.294 10.001 -7.091 243 1HG LYS 31 1HG LYS 31 3.589 8.740 -9.752 244 2HG LYS 31 2HG LYS 31 2.519 9.855 -8.901 245 1HD LYS 31 1HD LYS 31 5.276 10.837 -9.104 246 2HD LYS 31 2HD LYS 31 4.509 10.596 -10.673 247 1HE LYS 31 1HE LYS 31 3.730 12.733 -10.229 248 2HE LYS 31 2HE LYS 31 2.467 11.817 -9.385 249 1HZ LYS 31 1HZ LYS 31 4.474 11.859 -7.580 250 2HZ LYS 31 2HZ LYS 31 4.627 13.392 -8.293 251 3HZ LYS 31 3HZ LYS 31 3.157 12.927 -7.579 252 H HIS 32 H HIS 32 6.279 10.647 -6.920 253 HA HIS 32 HA HIS 32 8.581 9.910 -5.456 254 1HB HIS 32 1HB HIS 32 7.461 12.192 -6.088 255 2HB HIS 32 2HB HIS 32 6.621 12.011 -4.548 256 HD1 HIS 32 HD1 HIS 32 8.393 11.400 -2.465 257 HD2 HIS 32 HD2 HIS 32 9.909 13.419 -5.783 258 HE1 HIS 32 HE1 HIS 32 10.562 12.473 -1.721 259 H ILE 33 H ILE 33 8.870 9.436 -3.210 260 HA ILE 33 HA ILE 33 6.533 8.970 -1.493 261 HB ILE 33 HB ILE 33 6.419 6.911 -2.579 262 1HG1 ILE 33 1HG1 ILE 33 8.483 5.817 -0.801 263 2HG1 ILE 33 2HG1 ILE 33 7.358 6.908 0.009 264 1HG2 ILE 33 1HG2 ILE 33 9.177 7.471 -3.254 265 2HG2 ILE 33 2HG2 ILE 33 8.988 5.799 -2.732 266 3HG2 ILE 33 3HG2 ILE 33 8.022 6.418 -4.070 267 1HD1 ILE 33 1HD1 ILE 33 6.452 4.645 -1.786 268 2HD1 ILE 33 2HD1 ILE 33 6.643 4.471 -0.041 269 3HD1 ILE 33 3HD1 ILE 33 5.464 5.610 -0.690 270 H GLY 34 H GLY 34 9.791 7.522 -1.483 271 1HA GLY 34 1HA GLY 34 11.634 8.616 -0.209 272 2HA GLY 34 2HA GLY 34 10.409 9.173 0.931 273 H GLY 35 H GLY 35 8.935 6.680 0.987 274 1HA GLY 35 1HA GLY 35 10.541 5.290 2.979 275 2HA GLY 35 2HA GLY 35 8.920 4.830 2.458 276 H SER 36 H SER 36 11.219 3.059 2.839 277 HA SER 36 HA SER 36 11.395 1.975 0.053 278 1HB SER 36 1HB SER 36 13.763 1.257 1.210 279 2HB SER 36 2HB SER 36 13.551 2.707 0.234 280 HG SER 36 HG SER 36 13.696 3.889 1.976 281 H TYR 37 H TYR 37 9.763 1.307 2.589 282 HA TYR 37 HA TYR 37 10.556 -1.582 2.694 283 1HB TYR 37 1HB TYR 37 10.685 0.386 4.736 284 2HB TYR 37 2HB TYR 37 9.339 -0.679 5.145 285 HD1 TYR 37 HD1 TYR 37 9.964 -3.290 4.434 286 HD2 TYR 37 HD2 TYR 37 12.702 -0.241 5.720 287 HE1 TYR 37 HE1 TYR 37 11.561 -5.036 5.172 288 HE2 TYR 37 HE2 TYR 37 14.300 -1.988 6.459 289 HH TYR 37 HH TYR 37 13.486 -5.124 6.953 290 H GLY 38 H GLY 38 8.873 -2.408 1.455 291 1HA GLY 38 1HA GLY 38 6.117 -1.873 2.476 292 2HA GLY 38 2HA GLY 38 6.443 -1.895 0.741 293 H TYR 39 H TYR 39 5.355 -3.773 3.255 294 HA TYR 39 HA TYR 39 5.844 -6.257 1.668 295 1HB TYR 39 1HB TYR 39 6.451 -7.423 3.739 296 2HB TYR 39 2HB TYR 39 7.508 -6.028 3.520 297 HD1 TYR 39 HD1 TYR 39 6.656 -3.778 4.604 298 HD2 TYR 39 HD2 TYR 39 5.346 -7.696 5.777 299 HE1 TYR 39 HE1 TYR 39 5.916 -2.875 6.791 300 HE2 TYR 39 HE2 TYR 39 4.608 -6.794 7.966 301 HH TYR 39 HH TYR 39 4.042 -3.713 8.586 302 H CYS 40 H CYS 40 4.180 -7.892 2.069 303 HA CYS 40 HA CYS 40 1.551 -6.783 2.489 304 1HB CYS 40 1HB CYS 40 2.813 -9.171 1.547 305 2HB CYS 40 2HB CYS 40 1.591 -9.631 2.733 306 H TYR 41 H TYR 41 0.214 -6.908 4.306 307 HA TYR 41 HA TYR 41 1.123 -8.423 6.695 308 1HB TYR 41 1HB TYR 41 2.231 -6.281 6.925 309 2HB TYR 41 2HB TYR 41 0.752 -5.416 6.509 310 HD1 TYR 41 HD1 TYR 41 -1.321 -5.861 8.046 311 HD2 TYR 41 HD2 TYR 41 2.741 -6.682 9.179 312 HE1 TYR 41 HE1 TYR 41 -1.983 -5.836 10.436 313 HE2 TYR 41 HE2 TYR 41 2.078 -6.655 11.570 314 HH TYR 41 HH TYR 41 -0.956 -6.968 12.642 315 H GLY 42 H GLY 42 -0.649 -9.118 7.914 316 1HA GLY 42 1HA GLY 42 -2.921 -9.640 8.270 317 2HA GLY 42 2HA GLY 42 -3.123 -7.888 8.265 318 H PHE 43 H PHE 43 -2.188 -10.086 5.618 319 HA PHE 43 HA PHE 43 -3.128 -10.347 3.470 320 1HB PHE 43 1HB PHE 43 -5.449 -9.931 5.348 321 2HB PHE 43 2HB PHE 43 -5.733 -10.157 3.621 322 HD1 PHE 43 HD1 PHE 43 -4.484 -11.726 6.716 323 HD2 PHE 43 HD2 PHE 43 -5.212 -12.275 2.517 324 HE1 PHE 43 HE1 PHE 43 -4.179 -14.173 6.982 325 HE2 PHE 43 HE2 PHE 43 -4.905 -14.722 2.785 326 HZ PHE 43 HZ PHE 43 -4.389 -15.671 5.017 327 H GLY 44 H GLY 44 -1.908 -8.035 3.445 328 1HA GLY 44 1HA GLY 44 -3.369 -6.359 1.672 329 2HA GLY 44 2HA GLY 44 -3.427 -5.634 3.281 330 H CYS 45 H CYS 45 -2.102 -4.267 1.264 331 HA CYS 45 HA CYS 45 0.795 -4.859 1.593 332 1HB CYS 45 1HB CYS 45 -0.968 -3.676 -0.385 333 2HB CYS 45 2HB CYS 45 0.377 -2.593 -0.025 334 H TYR 46 H TYR 46 2.052 -3.653 2.961 335 HA TYR 46 HA TYR 46 0.929 -1.074 4.010 336 1HB TYR 46 1HB TYR 46 0.934 -3.186 5.496 337 2HB TYR 46 2HB TYR 46 2.688 -3.010 5.524 338 HD1 TYR 46 HD1 TYR 46 -0.460 -1.071 6.126 339 HD2 TYR 46 HD2 TYR 46 3.698 -1.578 7.078 340 HE1 TYR 46 HE1 TYR 46 -0.655 0.653 7.899 341 HE2 TYR 46 HE2 TYR 46 3.503 0.145 8.853 342 HH TYR 46 HH TYR 46 0.750 2.178 9.141 343 H CYS 47 H CYS 47 2.360 0.656 3.916 344 HA CYS 47 HA CYS 47 5.204 0.039 3.179 345 1HB CYS 47 1HB CYS 47 3.134 1.545 1.879 346 2HB CYS 47 2HB CYS 47 4.428 2.651 2.346 347 H GLU 48 H GLU 48 6.764 1.050 4.424 348 HA GLU 48 HA GLU 48 5.801 3.041 6.454 349 1HB GLU 48 1HB GLU 48 8.068 1.084 6.846 350 2HB GLU 48 2HB GLU 48 7.119 1.920 8.076 351 1HG GLU 48 1HG GLU 48 5.100 0.626 7.264 352 2HG GLU 48 2HG GLU 48 6.198 -0.324 6.262 353 H GLY 49 H GLY 49 7.435 4.612 7.112 354 1HA GLY 49 1HA GLY 49 9.686 5.583 6.828 355 2HA GLY 49 2HA GLY 49 9.742 4.856 5.222 356 H LEU 50 H LEU 50 7.556 5.553 3.974 357 HA LEU 50 HA LEU 50 7.841 8.193 3.119 358 1HB LEU 50 1HB LEU 50 5.280 7.828 2.544 359 2HB LEU 50 2HB LEU 50 6.507 6.827 1.772 360 HG LEU 50 HG LEU 50 5.648 5.741 4.348 361 1HD1 LEU 50 1HD1 LEU 50 3.619 6.620 2.383 362 2HD1 LEU 50 2HD1 LEU 50 3.469 4.945 2.914 363 3HD1 LEU 50 3HD1 LEU 50 3.441 6.251 4.098 364 1HD2 LEU 50 1HD2 LEU 50 6.936 4.713 2.315 365 2HD2 LEU 50 2HD2 LEU 50 5.758 3.714 3.167 366 3HD2 LEU 50 3HD2 LEU 50 5.326 4.474 1.636 367 HA PRO 51 HA PRO 51 6.402 10.596 6.575 368 1HB PRO 51 1HB PRO 51 5.691 12.769 4.829 369 2HB PRO 51 2HB PRO 51 7.136 12.609 5.831 370 1HG PRO 51 1HG PRO 51 6.966 12.452 2.980 371 2HG PRO 51 2HG PRO 51 8.399 12.243 3.989 372 1HD PRO 51 1HD PRO 51 6.922 10.215 2.539 373 2HD PRO 51 2HD PRO 51 8.409 10.018 3.499 374 H ASP 52 H ASP 52 4.327 11.740 7.236 375 HA ASP 52 HA ASP 52 2.002 10.223 6.545 376 1HB ASP 52 1HB ASP 52 2.817 12.139 8.425 377 2HB ASP 52 2HB ASP 52 1.461 12.890 7.582 378 H SER 53 H SER 53 3.467 13.008 5.063 379 HA SER 53 HA SER 53 1.345 14.345 3.835 380 1HB SER 53 1HB SER 53 3.492 15.203 3.473 381 2HB SER 53 2HB SER 53 4.159 13.625 3.067 382 HG SER 53 HG SER 53 2.743 15.448 1.501 383 H THR 54 H THR 54 2.748 11.203 2.971 384 HA THR 54 HA THR 54 1.318 10.917 0.467 385 HB THR 54 HB THR 54 2.976 9.271 2.330 386 HG1 THR 54 HG1 THR 54 3.702 8.783 -0.011 387 1HG2 THR 54 1HG2 THR 54 0.892 8.160 0.505 388 2HG2 THR 54 2HG2 THR 54 2.465 7.363 0.528 389 3HG2 THR 54 3HG2 THR 54 1.528 7.507 2.015 390 H GLN 55 H GLN 55 -0.668 9.877 0.092 391 HA GLN 55 HA GLN 55 -2.424 9.540 2.465 392 1HB GLN 55 1HB GLN 55 -2.638 10.438 -0.251 393 2HB GLN 55 2HB GLN 55 -3.743 9.082 -0.025 394 1HG GLN 55 1HG GLN 55 -3.751 10.962 2.226 395 2HG GLN 55 2HG GLN 55 -4.263 11.697 0.706 396 1HE2 GLN 55 2HE2 GLN 55 -5.046 9.150 3.056 397 2HE2 GLN 55 1HE2 GLN 55 -6.609 8.850 2.468 398 H THR 56 H THR 56 -3.096 7.524 3.147 399 HA THR 56 HA THR 56 -2.428 5.181 1.400 400 HB THR 56 HB THR 56 -2.229 4.124 3.810 401 HG1 THR 56 HG1 THR 56 -1.685 6.858 4.298 402 1HG2 THR 56 1HG2 THR 56 -0.432 5.151 1.952 403 2HG2 THR 56 2HG2 THR 56 0.069 5.890 3.473 404 3HG2 THR 56 3HG2 THR 56 -0.021 4.135 3.334 405 H TRP 57 H TRP 57 -3.713 3.171 2.380 406 HA TRP 57 HA TRP 57 -6.548 3.739 2.083 407 1HB TRP 57 1HB TRP 57 -5.094 1.678 1.440 408 2HB TRP 57 2HB TRP 57 -5.273 1.204 3.126 409 HD1 TRP 57 HD1 TRP 57 -7.210 1.530 -0.115 410 HE1 TRP 57 HE1 TRP 57 -9.536 0.459 0.179 411 HE3 TRP 57 HE3 TRP 57 -7.155 0.668 4.918 412 HZ2 TRP 57 HZ2 TRP 57 -11.157 -0.622 2.270 413 HZ3 TRP 57 HZ3 TRP 57 -9.102 -0.382 6.034 414 HH2 TRP 57 HH2 TRP 57 -11.102 -1.027 4.719 415 HA PRO 58 HA PRO 58 -8.405 3.031 2.551 416 1HB PRO 58 1HB PRO 58 -10.491 4.433 3.827 417 2HB PRO 58 2HB PRO 58 -10.321 2.678 3.721 418 1HG PRO 58 1HG PRO 58 -10.025 4.381 6.049 419 2HG PRO 58 2HG PRO 58 -10.023 2.617 5.966 420 1HD PRO 58 1HD PRO 58 -7.763 4.380 6.359 421 2HD PRO 58 2HD PRO 58 -7.768 2.600 6.304 422 H LEU 59 H LEU 59 -9.866 4.881 1.498 423 HA LEU 59 HA LEU 59 -8.204 7.360 1.424 424 1HB LEU 59 1HB LEU 59 -9.879 5.749 -0.436 425 2HB LEU 59 2HB LEU 59 -9.867 7.489 -0.712 426 HG LEU 59 HG LEU 59 -7.352 5.829 -0.393 427 1HD1 LEU 59 1HD1 LEU 59 -9.016 6.510 -2.795 428 2HD1 LEU 59 2HD1 LEU 59 -7.262 6.430 -2.964 429 3HD1 LEU 59 3HD1 LEU 59 -8.162 5.014 -2.419 430 1HD2 LEU 59 1HD2 LEU 59 -7.248 8.293 0.107 431 2HD2 LEU 59 2HD2 LEU 59 -6.237 7.808 -1.253 432 3HD2 LEU 59 3HD2 LEU 59 -7.784 8.602 -1.545 433 HA PRO 60 HA PRO 60 -11.226 10.158 3.000 434 1HB PRO 60 1HB PRO 60 -11.777 11.433 0.434 435 2HB PRO 60 2HB PRO 60 -10.945 12.086 1.849 436 1HG PRO 60 1HG PRO 60 -9.752 11.302 -0.588 437 2HG PRO 60 2HG PRO 60 -8.915 11.719 0.910 438 1HD PRO 60 1HD PRO 60 -9.162 9.117 -0.338 439 2HD PRO 60 2HD PRO 60 -8.255 9.547 1.130 440 H ASN 61 H ASN 61 -13.466 11.299 1.797 441 HA ASN 61 HA ASN 61 -15.502 9.403 2.129 442 1HB ASN 61 1HB ASN 61 -15.586 11.950 1.993 443 2HB ASN 61 2HB ASN 61 -15.577 11.768 0.237 444 1HD2 ASN 61 2HD2 ASN 61 -17.602 11.747 3.023 445 2HD2 ASN 61 1HD2 ASN 61 -19.011 11.177 2.267 446 H LYS 62 H LYS 62 -13.600 10.141 -0.742 447 HA LYS 62 HA LYS 62 -15.303 8.428 -2.455 448 1HB LYS 62 1HB LYS 62 -14.161 10.647 -3.085 449 2HB LYS 62 2HB LYS 62 -12.652 9.732 -3.114 450 1HG LYS 62 1HG LYS 62 -13.197 9.301 -5.279 451 2HG LYS 62 2HG LYS 62 -14.311 8.117 -4.593 452 1HD LYS 62 1HD LYS 62 -16.157 9.578 -4.760 453 2HD LYS 62 2HD LYS 62 -15.126 10.998 -4.944 454 1HE LYS 62 1HE LYS 62 -14.935 10.696 -7.196 455 2HE LYS 62 2HE LYS 62 -14.710 8.944 -7.026 456 1HZ LYS 62 1HZ LYS 62 -17.300 10.338 -6.606 457 2HZ LYS 62 2HZ LYS 62 -16.865 9.570 -8.058 458 3HZ LYS 62 3HZ LYS 62 -17.034 8.659 -6.637 459 H THR 63 H THR 63 -14.356 6.853 -0.441 460 HA THR 63 HA THR 63 -11.820 5.571 -1.260 461 HB THR 63 HB THR 63 -12.414 5.969 1.112 462 HG1 THR 63 HG1 THR 63 -11.218 4.055 0.352 463 1HG2 THR 63 1HG2 THR 63 -14.770 4.240 0.362 464 2HG2 THR 63 2HG2 THR 63 -14.239 4.408 2.035 465 3HG2 THR 63 3HG2 THR 63 -14.780 5.825 1.136 466 H CYS 64 H CYS 64 -12.330 2.936 -0.711 467 HA CYS 64 HA CYS 64 -13.480 1.948 -3.144 468 1HB CYS 64 1HB CYS 64 -11.753 0.930 -1.526 469 2HB CYS 64 2HB CYS 64 -13.136 0.424 -0.555 Start of MODEL 29 1 1H LYS 1 1H LYS 1 4.797 8.215 6.970 2 2H LYS 1 2H LYS 1 4.705 9.295 8.277 3 3H LYS 1 3H LYS 1 5.499 7.809 8.463 4 HA LYS 1 HA LYS 1 3.376 7.599 9.509 5 1HB LYS 1 1HB LYS 1 2.731 9.607 7.841 6 2HB LYS 1 2HB LYS 1 1.996 8.273 6.952 7 1HG LYS 1 1HG LYS 1 1.346 7.911 9.697 8 2HG LYS 1 2HG LYS 1 1.015 9.597 9.296 9 1HD LYS 1 1HD LYS 1 -0.928 8.075 8.847 10 2HD LYS 1 2HD LYS 1 -0.367 8.935 7.412 11 1HE LYS 1 1HE LYS 1 0.584 7.016 6.468 12 2HE LYS 1 2HE LYS 1 0.762 6.214 8.041 13 1HZ LYS 1 1HZ LYS 1 -1.909 6.752 7.861 14 2HZ LYS 1 2HZ LYS 1 -1.502 6.267 6.285 15 3HZ LYS 1 3HZ LYS 1 -1.182 5.240 7.595 16 H ASP 2 H ASP 2 3.014 5.420 9.577 17 HA ASP 2 HA ASP 2 3.517 3.749 7.196 18 1HB ASP 2 1HB ASP 2 2.563 2.940 9.955 19 2HB ASP 2 2HB ASP 2 3.482 1.970 8.803 20 H GLY 3 H GLY 3 1.872 2.919 5.916 21 1HA GLY 3 1HA GLY 3 -0.849 2.672 7.039 22 2HA GLY 3 2HA GLY 3 -0.674 3.788 5.686 23 H TYR 4 H TYR 4 -2.309 2.004 4.921 24 HA TYR 4 HA TYR 4 -0.859 -0.325 3.748 25 1HB TYR 4 1HB TYR 4 -3.597 0.284 4.721 26 2HB TYR 4 2HB TYR 4 -3.495 -0.788 3.323 27 HD1 TYR 4 HD1 TYR 4 -2.098 -2.881 3.458 28 HD2 TYR 4 HD2 TYR 4 -2.946 -0.453 6.900 29 HE1 TYR 4 HE1 TYR 4 -1.447 -4.758 4.944 30 HE2 TYR 4 HE2 TYR 4 -2.293 -2.330 8.383 31 HH TYR 4 HH TYR 4 -1.085 -4.334 8.384 32 H LEU 5 H LEU 5 -1.301 -0.851 1.487 33 HA LEU 5 HA LEU 5 -1.435 1.534 -0.221 34 1HB LEU 5 1HB LEU 5 -0.481 -1.191 -0.283 35 2HB LEU 5 2HB LEU 5 -1.456 -0.873 -1.718 36 HG LEU 5 HG LEU 5 0.912 0.751 -0.747 37 1HD1 LEU 5 1HD1 LEU 5 0.501 -1.404 -2.712 38 2HD1 LEU 5 2HD1 LEU 5 1.350 0.000 -3.357 39 3HD1 LEU 5 3HD1 LEU 5 1.990 -0.849 -1.950 40 1HD2 LEU 5 1HD2 LEU 5 -1.175 1.231 -2.868 41 2HD2 LEU 5 2HD2 LEU 5 -0.527 2.363 -1.680 42 3HD2 LEU 5 3HD2 LEU 5 0.455 1.877 -3.063 43 H VAL 6 H VAL 6 -3.002 1.790 -1.947 44 HA VAL 6 HA VAL 6 -5.610 0.403 -1.417 45 HB VAL 6 HB VAL 6 -6.641 2.482 -2.143 46 1HG1 VAL 6 1HG1 VAL 6 -4.309 2.903 -0.252 47 2HG1 VAL 6 2HG1 VAL 6 -5.619 4.064 -0.472 48 3HG1 VAL 6 3HG1 VAL 6 -5.960 2.461 0.181 49 1HG2 VAL 6 1HG2 VAL 6 -4.123 2.815 -3.472 50 2HG2 VAL 6 2HG2 VAL 6 -5.582 3.792 -3.638 51 3HG2 VAL 6 3HG2 VAL 6 -4.381 4.203 -2.414 52 H GLU 7 H GLU 7 -6.952 1.053 -3.721 53 HA GLU 7 HA GLU 7 -5.248 -0.112 -5.909 54 1HB GLU 7 1HB GLU 7 -6.867 -1.692 -4.855 55 2HB GLU 7 2HB GLU 7 -8.181 -0.601 -5.297 56 1HG GLU 7 1HG GLU 7 -7.850 -0.957 -7.617 57 2HG GLU 7 2HG GLU 7 -6.255 -1.665 -7.364 58 H LYS 8 H LYS 8 -6.144 0.387 -8.132 59 HA LYS 8 HA LYS 8 -6.365 3.065 -8.767 60 1HB LYS 8 1HB LYS 8 -6.225 1.042 -10.290 61 2HB LYS 8 2HB LYS 8 -7.963 0.841 -10.076 62 1HG LYS 8 1HG LYS 8 -8.271 3.195 -10.907 63 2HG LYS 8 2HG LYS 8 -6.546 3.235 -11.278 64 1HD LYS 8 1HD LYS 8 -6.759 1.819 -13.069 65 2HD LYS 8 2HD LYS 8 -8.059 0.896 -12.315 66 1HE LYS 8 1HE LYS 8 -9.671 2.663 -12.812 67 2HE LYS 8 2HE LYS 8 -8.380 3.695 -13.460 68 1HZ LYS 8 1HZ LYS 8 -8.450 1.003 -14.522 69 2HZ LYS 8 2HZ LYS 8 -9.787 1.955 -14.944 70 3HZ LYS 8 3HZ LYS 8 -8.217 2.481 -15.326 71 H THR 9 H THR 9 -9.005 0.918 -7.739 72 HA THR 9 HA THR 9 -11.013 3.062 -7.985 73 HB THR 9 HB THR 9 -12.387 1.123 -6.891 74 HG1 THR 9 HG1 THR 9 -11.097 -0.878 -7.564 75 1HG2 THR 9 1HG2 THR 9 -11.176 1.313 -9.602 76 2HG2 THR 9 2HG2 THR 9 -12.000 -0.193 -9.199 77 3HG2 THR 9 3HG2 THR 9 -12.873 1.338 -9.124 78 H GLY 10 H GLY 10 -9.096 1.494 -5.482 79 1HA GLY 10 1HA GLY 10 -8.700 3.174 -3.555 80 2HA GLY 10 2HA GLY 10 -10.459 3.183 -3.430 81 H CYS 11 H CYS 11 -10.544 0.242 -4.103 82 HA CYS 11 HA CYS 11 -10.603 -0.793 -1.455 83 1HB CYS 11 1HB CYS 11 -10.664 -1.850 -4.250 84 2HB CYS 11 2HB CYS 11 -10.453 -3.010 -2.938 85 H LYS 12 H LYS 12 -9.203 -2.603 -0.626 86 HA LYS 12 HA LYS 12 -6.420 -1.867 -0.592 87 1HB LYS 12 1HB LYS 12 -8.184 -4.040 0.465 88 2HB LYS 12 2HB LYS 12 -6.438 -4.282 0.537 89 1HG LYS 12 1HG LYS 12 -6.108 -2.429 1.939 90 2HG LYS 12 2HG LYS 12 -7.644 -1.693 1.485 91 1HD LYS 12 1HD LYS 12 -7.623 -2.722 3.795 92 2HD LYS 12 2HD LYS 12 -8.888 -3.341 2.731 93 1HE LYS 12 1HE LYS 12 -8.087 -5.425 3.127 94 2HE LYS 12 2HE LYS 12 -6.611 -4.962 2.258 95 1HZ LYS 12 1HZ LYS 12 -6.217 -3.707 4.555 96 2HZ LYS 12 2HZ LYS 12 -7.127 -5.023 5.124 97 3HZ LYS 12 3HZ LYS 12 -5.683 -5.296 4.279 98 H LYS 13 H LYS 13 -4.937 -4.125 -0.756 99 HA LYS 13 HA LYS 13 -5.393 -5.308 -3.466 100 1HB LYS 13 1HB LYS 13 -3.722 -3.182 -2.999 101 2HB LYS 13 2HB LYS 13 -2.617 -4.541 -2.794 102 1HG LYS 13 1HG LYS 13 -2.842 -5.240 -4.989 103 2HG LYS 13 2HG LYS 13 -4.467 -4.571 -5.145 104 1HD LYS 13 1HD LYS 13 -3.211 -2.266 -4.820 105 2HD LYS 13 2HD LYS 13 -1.818 -3.188 -5.386 106 1HE LYS 13 1HE LYS 13 -4.463 -2.835 -6.842 107 2HE LYS 13 2HE LYS 13 -2.880 -2.205 -7.337 108 1HZ LYS 13 1HZ LYS 13 -2.073 -4.548 -7.275 109 2HZ LYS 13 2HZ LYS 13 -3.683 -5.052 -7.073 110 3HZ LYS 13 3HZ LYS 13 -3.214 -4.243 -8.492 111 H THR 14 H THR 14 -5.979 -7.059 -1.736 112 HA THR 14 HA THR 14 -4.286 -8.332 0.043 113 HB THR 14 HB THR 14 -5.959 -9.741 -2.051 114 HG1 THR 14 HG1 THR 14 -6.735 -8.330 0.281 115 1HG2 THR 14 1HG2 THR 14 -4.522 -10.821 -0.040 116 2HG2 THR 14 2HG2 THR 14 -6.008 -10.445 0.833 117 3HG2 THR 14 3HG2 THR 14 -6.060 -11.494 -0.584 118 H CYS 15 H CYS 15 -2.685 -10.010 -0.132 119 HA CYS 15 HA CYS 15 -1.609 -10.588 -2.854 120 1HB CYS 15 1HB CYS 15 0.585 -9.867 -2.229 121 2HB CYS 15 2HB CYS 15 -0.499 -8.582 -1.702 122 H TYR 16 H TYR 16 -0.504 -12.612 -2.959 123 HA TYR 16 HA TYR 16 -1.103 -14.450 -0.702 124 1HB TYR 16 1HB TYR 16 -0.512 -14.615 -3.631 125 2HB TYR 16 2HB TYR 16 -0.161 -16.031 -2.640 126 HD1 TYR 16 HD1 TYR 16 -2.888 -13.468 -2.430 127 HD2 TYR 16 HD2 TYR 16 -1.862 -17.599 -2.996 128 HE1 TYR 16 HE1 TYR 16 -5.295 -14.064 -2.445 129 HE2 TYR 16 HE2 TYR 16 -4.270 -18.196 -3.013 130 HH TYR 16 HH TYR 16 -6.566 -16.537 -3.659 131 H LYS 17 H LYS 17 0.987 -12.746 0.018 132 HA LYS 17 HA LYS 17 3.151 -14.632 0.474 133 1HB LYS 17 1HB LYS 17 3.139 -12.931 -1.885 134 2HB LYS 17 2HB LYS 17 4.547 -12.603 -0.874 135 1HG LYS 17 1HG LYS 17 4.579 -15.291 -0.775 136 2HG LYS 17 2HG LYS 17 3.811 -15.082 -2.349 137 1HD LYS 17 1HD LYS 17 6.150 -15.144 -2.797 138 2HD LYS 17 2HD LYS 17 5.702 -13.440 -2.888 139 1HE LYS 17 1HE LYS 17 6.357 -14.093 -0.153 140 2HE LYS 17 2HE LYS 17 7.688 -14.584 -1.220 141 1HZ LYS 17 1HZ LYS 17 7.513 -12.412 -2.321 142 2HZ LYS 17 2HZ LYS 17 6.331 -11.941 -1.195 143 3HZ LYS 17 3HZ LYS 17 7.919 -12.260 -0.681 144 H LEU 18 H LEU 18 3.196 -14.021 2.649 145 HA LEU 18 HA LEU 18 3.160 -11.195 3.446 146 1HB LEU 18 1HB LEU 18 3.587 -13.818 4.914 147 2HB LEU 18 2HB LEU 18 3.429 -12.254 5.715 148 HG LEU 18 HG LEU 18 1.344 -13.428 3.853 149 1HD1 LEU 18 1HD1 LEU 18 1.804 -14.614 6.123 150 2HD1 LEU 18 2HD1 LEU 18 1.089 -13.171 6.844 151 3HD1 LEU 18 3HD1 LEU 18 0.143 -14.166 5.736 152 1HD2 LEU 18 1HD2 LEU 18 1.735 -10.815 4.566 153 2HD2 LEU 18 2HD2 LEU 18 0.160 -11.504 4.175 154 3HD2 LEU 18 3HD2 LEU 18 0.668 -11.361 5.858 155 H GLY 19 H GLY 19 4.968 -10.059 4.313 156 1HA GLY 19 1HA GLY 19 7.328 -10.144 5.134 157 2HA GLY 19 2HA GLY 19 7.612 -11.409 3.939 158 H GLU 20 H GLU 20 9.373 -9.889 3.280 159 HA GLU 20 HA GLU 20 8.847 -7.319 2.123 160 1HB GLU 20 1HB GLU 20 11.080 -7.842 0.984 161 2HB GLU 20 2HB GLU 20 11.075 -7.970 2.743 162 1HG GLU 20 1HG GLU 20 11.539 -10.178 2.667 163 2HG GLU 20 2HG GLU 20 10.261 -10.469 1.487 164 H ASN 21 H ASN 21 6.740 -8.299 1.023 165 HA ASN 21 HA ASN 21 7.071 -9.857 -1.395 166 1HB ASN 21 1HB ASN 21 5.025 -9.373 0.192 167 2HB ASN 21 2HB ASN 21 4.788 -7.972 -0.856 168 1HD2 ASN 21 2HD2 ASN 21 2.905 -10.155 -0.781 169 2HD2 ASN 21 1HD2 ASN 21 2.943 -10.932 -2.289 170 H ASP 22 H ASP 22 8.688 -8.750 -2.649 171 HA ASP 22 HA ASP 22 9.047 -6.113 -3.300 172 1HB ASP 22 1HB ASP 22 9.387 -8.714 -4.580 173 2HB ASP 22 2HB ASP 22 9.156 -7.426 -5.763 174 H PHE 23 H PHE 23 6.341 -8.134 -4.353 175 HA PHE 23 HA PHE 23 5.284 -6.590 -6.452 176 1HB PHE 23 1HB PHE 23 4.577 -8.795 -4.964 177 2HB PHE 23 2HB PHE 23 3.328 -7.634 -4.509 178 HD1 PHE 23 HD1 PHE 23 3.043 -6.022 -6.950 179 HD2 PHE 23 HD2 PHE 23 3.539 -10.265 -6.495 180 HE1 PHE 23 HE1 PHE 23 1.907 -6.388 -9.124 181 HE2 PHE 23 HE2 PHE 23 2.402 -10.631 -8.669 182 HZ PHE 23 HZ PHE 23 1.585 -8.692 -9.983 183 H CYS 24 H CYS 24 4.639 -6.236 -2.938 184 HA CYS 24 HA CYS 24 3.005 -3.863 -3.286 185 1HB CYS 24 1HB CYS 24 4.488 -4.990 -0.887 186 2HB CYS 24 2HB CYS 24 3.177 -3.811 -0.825 187 H ASN 25 H ASN 25 6.418 -4.472 -2.464 188 HA ASN 25 HA ASN 25 7.215 -1.838 -1.797 189 1HB ASN 25 1HB ASN 25 8.547 -3.937 -1.575 190 2HB ASN 25 2HB ASN 25 8.722 -3.986 -3.330 191 1HD2 ASN 25 2HD2 ASN 25 10.890 -3.644 -1.295 192 2HD2 ASN 25 1HD2 ASN 25 11.635 -2.163 -1.660 193 H ARG 26 H ARG 26 7.453 -3.449 -4.995 194 HA ARG 26 HA ARG 26 8.238 -1.142 -6.473 195 1HB ARG 26 1HB ARG 26 7.448 -3.883 -6.879 196 2HB ARG 26 2HB ARG 26 6.650 -2.870 -8.082 197 1HG ARG 26 1HG ARG 26 8.583 -2.502 -9.185 198 2HG ARG 26 2HG ARG 26 9.438 -2.103 -7.694 199 1HD ARG 26 1HD ARG 26 9.038 -4.846 -7.480 200 2HD ARG 26 2HD ARG 26 9.418 -4.620 -9.196 201 HE ARG 26 HE ARG 26 11.293 -4.401 -7.050 202 1HH1 ARG 26 1HH1 ARG 26 10.289 -2.667 -9.877 203 2HH1 ARG 26 2HH1 ARG 26 11.706 -1.680 -9.917 204 1HH2 ARG 26 1HH2 ARG 26 13.146 -3.132 -7.128 205 2HH2 ARG 26 2HH2 ARG 26 13.318 -1.945 -8.377 206 H GLU 27 H GLU 27 5.008 -2.480 -5.757 207 HA GLU 27 HA GLU 27 3.466 -0.698 -7.363 208 1HB GLU 27 1HB GLU 27 3.011 -2.862 -5.806 209 2HB GLU 27 2HB GLU 27 2.430 -1.599 -4.721 210 1HG GLU 27 1HG GLU 27 0.503 -1.607 -5.890 211 2HG GLU 27 2HG GLU 27 1.404 -0.906 -7.236 212 H CYS 28 H CYS 28 4.091 -0.517 -3.833 213 HA CYS 28 HA CYS 28 3.044 2.179 -3.605 214 1HB CYS 28 1HB CYS 28 2.945 0.734 -1.716 215 2HB CYS 28 2HB CYS 28 4.642 0.286 -1.873 216 H LYS 29 H LYS 29 6.216 0.820 -4.289 217 HA LYS 29 HA LYS 29 7.475 3.497 -3.895 218 1HB LYS 29 1HB LYS 29 8.236 1.062 -3.057 219 2HB LYS 29 2HB LYS 29 9.031 1.067 -4.632 220 1HG LYS 29 1HG LYS 29 10.298 3.004 -4.114 221 2HG LYS 29 2HG LYS 29 9.278 3.399 -2.731 222 1HD LYS 29 1HD LYS 29 10.257 0.783 -2.271 223 2HD LYS 29 2HD LYS 29 11.634 1.741 -2.815 224 1HE LYS 29 1HE LYS 29 11.757 2.651 -0.744 225 2HE LYS 29 2HE LYS 29 10.160 3.378 -1.007 226 1HZ LYS 29 1HZ LYS 29 9.454 0.869 -0.577 227 2HZ LYS 29 2HZ LYS 29 10.866 0.905 0.369 228 3HZ LYS 29 3HZ LYS 29 9.606 1.996 0.685 229 H TRP 30 H TRP 30 5.790 3.227 -6.208 230 HA TRP 30 HA TRP 30 7.470 2.616 -8.527 231 1HB TRP 30 1HB TRP 30 4.703 3.295 -7.889 232 2HB TRP 30 2HB TRP 30 5.269 4.154 -9.322 233 HD1 TRP 30 HD1 TRP 30 3.403 1.284 -8.786 234 HE1 TRP 30 HE1 TRP 30 3.896 -0.619 -10.455 235 HE3 TRP 30 HE3 TRP 30 7.907 2.856 -10.608 236 HZ2 TRP 30 HZ2 TRP 30 5.935 -1.373 -12.319 237 HZ3 TRP 30 HZ3 TRP 30 9.102 1.528 -12.325 238 HH2 TRP 30 HH2 TRP 30 8.123 -0.581 -13.181 239 H LYS 31 H LYS 31 8.852 4.052 -9.504 240 HA LYS 31 HA LYS 31 9.944 6.084 -10.011 241 1HB LYS 31 1HB LYS 31 7.282 7.250 -9.127 242 2HB LYS 31 2HB LYS 31 8.466 8.017 -10.185 243 1HG LYS 31 1HG LYS 31 7.956 6.656 -11.982 244 2HG LYS 31 2HG LYS 31 7.441 5.316 -10.957 245 1HD LYS 31 1HD LYS 31 5.562 6.492 -12.185 246 2HD LYS 31 2HD LYS 31 5.362 6.408 -10.435 247 1HE LYS 31 1HE LYS 31 5.662 8.680 -10.158 248 2HE LYS 31 2HE LYS 31 6.788 8.800 -11.525 249 1HZ LYS 31 1HZ LYS 31 3.954 8.065 -11.928 250 2HZ LYS 31 2HZ LYS 31 4.434 9.695 -11.868 251 3HZ LYS 31 3HZ LYS 31 5.062 8.663 -13.064 252 H HIS 32 H HIS 32 9.250 8.610 -8.495 253 HA HIS 32 HA HIS 32 10.641 7.865 -5.946 254 1HB HIS 32 1HB HIS 32 10.653 10.285 -7.756 255 2HB HIS 32 2HB HIS 32 11.294 10.363 -6.113 256 HD1 HIS 32 HD1 HIS 32 13.307 10.746 -8.342 257 HD2 HIS 32 HD2 HIS 32 12.341 6.981 -6.832 258 HE1 HIS 32 HE1 HIS 32 15.255 9.227 -8.902 259 H ILE 33 H ILE 33 8.694 7.488 -4.729 260 HA ILE 33 HA ILE 33 6.742 9.720 -4.512 261 HB ILE 33 HB ILE 33 6.770 7.014 -3.150 262 1HG1 ILE 33 1HG1 ILE 33 7.039 6.731 -5.595 263 2HG1 ILE 33 2HG1 ILE 33 5.439 6.208 -5.066 264 1HG2 ILE 33 1HG2 ILE 33 5.153 8.748 -2.351 265 2HG2 ILE 33 2HG2 ILE 33 4.497 8.840 -3.986 266 3HG2 ILE 33 3HG2 ILE 33 4.355 7.344 -3.063 267 1HD1 ILE 33 1HD1 ILE 33 6.045 8.960 -6.183 268 2HD1 ILE 33 2HD1 ILE 33 5.380 7.629 -7.131 269 3HD1 ILE 33 3HD1 ILE 33 4.454 8.307 -5.792 270 H GLY 34 H GLY 34 8.329 7.552 -2.132 271 1HA GLY 34 1HA GLY 34 9.874 9.082 -0.587 272 2HA GLY 34 2HA GLY 34 8.309 9.781 -0.183 273 H GLY 35 H GLY 35 9.309 6.401 -0.725 274 1HA GLY 35 1HA GLY 35 8.207 5.786 1.989 275 2HA GLY 35 2HA GLY 35 8.085 4.674 0.625 276 H SER 36 H SER 36 9.406 4.286 3.277 277 HA SER 36 HA SER 36 12.277 4.103 2.539 278 1HB SER 36 1HB SER 36 12.543 3.710 4.923 279 2HB SER 36 2HB SER 36 11.446 5.067 4.706 280 HG SER 36 HG SER 36 10.974 2.484 5.625 281 H TYR 37 H TYR 37 9.655 1.984 3.776 282 HA TYR 37 HA TYR 37 10.948 -0.297 2.354 283 1HB TYR 37 1HB TYR 37 11.461 0.097 4.945 284 2HB TYR 37 2HB TYR 37 9.899 -0.702 5.128 285 HD1 TYR 37 HD1 TYR 37 12.545 -1.219 2.538 286 HD2 TYR 37 HD2 TYR 37 10.405 -2.887 5.868 287 HE1 TYR 37 HE1 TYR 37 13.609 -3.417 2.121 288 HE2 TYR 37 HE2 TYR 37 11.471 -5.088 5.451 289 HH TYR 37 HH TYR 37 13.081 -6.162 4.307 290 H GLY 38 H GLY 38 9.420 -1.524 1.309 291 1HA GLY 38 1HA GLY 38 6.572 -1.196 2.170 292 2HA GLY 38 2HA GLY 38 7.044 -1.328 0.476 293 H TYR 39 H TYR 39 5.677 -3.068 2.868 294 HA TYR 39 HA TYR 39 6.508 -5.646 1.620 295 1HB TYR 39 1HB TYR 39 6.801 -6.585 3.919 296 2HB TYR 39 2HB TYR 39 7.949 -5.290 3.578 297 HD1 TYR 39 HD1 TYR 39 4.599 -5.936 5.114 298 HD2 TYR 39 HD2 TYR 39 8.066 -3.405 4.979 299 HE1 TYR 39 HE1 TYR 39 3.746 -4.665 7.066 300 HE2 TYR 39 HE2 TYR 39 7.214 -2.135 6.931 301 HH TYR 39 HH TYR 39 5.692 -2.430 8.796 302 H CYS 40 H CYS 40 4.902 -7.376 2.070 303 HA CYS 40 HA CYS 40 2.173 -6.283 2.292 304 1HB CYS 40 1HB CYS 40 3.417 -8.338 0.896 305 2HB CYS 40 2HB CYS 40 2.498 -9.193 2.137 306 H TYR 41 H TYR 41 0.958 -6.367 4.121 307 HA TYR 41 HA TYR 41 1.778 -8.245 6.309 308 1HB TYR 41 1HB TYR 41 2.191 -5.523 6.247 309 2HB TYR 41 2HB TYR 41 0.642 -5.632 7.084 310 HD1 TYR 41 HD1 TYR 41 4.205 -6.626 7.169 311 HD2 TYR 41 HD2 TYR 41 0.462 -6.640 9.275 312 HE1 TYR 41 HE1 TYR 41 5.375 -7.310 9.247 313 HE2 TYR 41 HE2 TYR 41 1.634 -7.322 11.353 314 HH TYR 41 HH TYR 41 4.221 -8.694 11.642 315 H GLY 42 H GLY 42 0.021 -9.257 7.312 316 1HA GLY 42 1HA GLY 42 -2.202 -9.954 7.608 317 2HA GLY 42 2HA GLY 42 -2.634 -8.252 7.430 318 H PHE 43 H PHE 43 -1.024 -10.300 5.026 319 HA PHE 43 HA PHE 43 -1.676 -10.878 2.832 320 1HB PHE 43 1HB PHE 43 -4.132 -10.919 4.533 321 2HB PHE 43 2HB PHE 43 -4.357 -11.028 2.787 322 HD1 PHE 43 HD1 PHE 43 -2.274 -12.490 5.547 323 HD2 PHE 43 HD2 PHE 43 -4.170 -13.110 1.741 324 HE1 PHE 43 HE1 PHE 43 -1.624 -14.881 5.612 325 HE2 PHE 43 HE2 PHE 43 -3.519 -15.503 1.807 326 HZ PHE 43 HZ PHE 43 -2.246 -16.388 3.743 327 H GLY 44 H GLY 44 -1.003 -8.229 3.054 328 1HA GLY 44 1HA GLY 44 -2.543 -7.007 0.931 329 2HA GLY 44 2HA GLY 44 -2.869 -6.232 2.483 330 H CYS 45 H CYS 45 -1.503 -5.031 0.188 331 HA CYS 45 HA CYS 45 1.358 -4.971 0.736 332 1HB CYS 45 1HB CYS 45 -0.567 -3.327 -0.928 333 2HB CYS 45 2HB CYS 45 1.170 -3.024 -0.906 334 H TYR 46 H TYR 46 2.487 -3.438 1.948 335 HA TYR 46 HA TYR 46 0.961 -1.166 3.147 336 1HB TYR 46 1HB TYR 46 0.991 -3.235 4.605 337 2HB TYR 46 2HB TYR 46 2.748 -3.088 4.664 338 HD1 TYR 46 HD1 TYR 46 3.765 -0.923 5.563 339 HD2 TYR 46 HD2 TYR 46 -0.390 -1.918 6.003 340 HE1 TYR 46 HE1 TYR 46 3.559 0.744 7.388 341 HE2 TYR 46 HE2 TYR 46 -0.598 -0.250 7.826 342 HH TYR 46 HH TYR 46 0.415 1.414 8.915 343 H CYS 47 H CYS 47 2.434 0.555 3.939 344 HA CYS 47 HA CYS 47 5.268 0.296 3.001 345 1HB CYS 47 1HB CYS 47 3.118 1.744 1.784 346 2HB CYS 47 2HB CYS 47 4.287 2.906 2.410 347 H GLU 48 H GLU 48 6.694 1.922 3.971 348 HA GLU 48 HA GLU 48 5.586 3.118 6.494 349 1HB GLU 48 1HB GLU 48 8.396 2.097 6.004 350 2HB GLU 48 2HB GLU 48 7.646 2.475 7.555 351 1HG GLU 48 1HG GLU 48 5.889 0.637 6.505 352 2HG GLU 48 2HG GLU 48 7.442 0.039 5.919 353 H GLY 49 H GLY 49 5.348 5.263 5.691 354 1HA GLY 49 1HA GLY 49 7.125 7.216 5.897 355 2HA GLY 49 2HA GLY 49 7.713 6.509 4.393 356 H LEU 50 H LEU 50 4.606 5.872 4.062 357 HA LEU 50 HA LEU 50 3.923 7.572 2.027 358 1HB LEU 50 1HB LEU 50 2.166 6.621 4.310 359 2HB LEU 50 2HB LEU 50 1.571 7.181 2.752 360 HG LEU 50 HG LEU 50 1.638 4.960 2.243 361 1HD1 LEU 50 1HD1 LEU 50 4.588 5.601 2.014 362 2HD1 LEU 50 2HD1 LEU 50 3.777 4.246 1.227 363 3HD1 LEU 50 3HD1 LEU 50 3.364 5.901 0.781 364 1HD2 LEU 50 1HD2 LEU 50 2.666 4.729 4.753 365 2HD2 LEU 50 2HD2 LEU 50 2.436 3.368 3.655 366 3HD2 LEU 50 3HD2 LEU 50 4.016 4.139 3.784 367 HA PRO 51 HA PRO 51 4.385 11.488 4.337 368 1HB PRO 51 1HB PRO 51 3.830 12.747 1.792 369 2HB PRO 51 2HB PRO 51 5.351 12.711 2.690 370 1HG PRO 51 1HG PRO 51 4.702 11.291 0.290 371 2HG PRO 51 2HG PRO 51 6.206 11.222 1.213 372 1HD PRO 51 1HD PRO 51 4.195 9.175 0.977 373 2HD PRO 51 2HD PRO 51 5.685 9.127 1.949 374 H ASP 52 H ASP 52 2.783 13.066 4.915 375 HA ASP 52 HA ASP 52 0.128 12.353 5.156 376 1HB ASP 52 1HB ASP 52 1.682 14.887 5.027 377 2HB ASP 52 2HB ASP 52 -0.072 15.043 4.921 378 H SER 53 H SER 53 1.429 14.389 2.497 379 HA SER 53 HA SER 53 -0.936 14.721 1.012 380 1HB SER 53 1HB SER 53 1.583 15.528 0.765 381 2HB SER 53 2HB SER 53 1.674 14.175 -0.359 382 HG SER 53 HG SER 53 -0.513 15.304 -1.022 383 H THR 54 H THR 54 1.444 12.049 0.774 384 HA THR 54 HA THR 54 0.330 10.580 -1.334 385 HB THR 54 HB THR 54 1.243 9.142 1.123 386 HG1 THR 54 HG1 THR 54 3.159 10.485 -0.387 387 1HG2 THR 54 1HG2 THR 54 0.944 8.003 -1.056 388 2HG2 THR 54 2HG2 THR 54 2.118 9.104 -1.779 389 3HG2 THR 54 3HG2 THR 54 2.627 7.969 -0.528 390 H GLN 55 H GLN 55 -1.403 9.134 -1.517 391 HA GLN 55 HA GLN 55 -3.470 9.287 0.604 392 1HB GLN 55 1HB GLN 55 -3.888 9.697 -1.848 393 2HB GLN 55 2HB GLN 55 -3.510 8.000 -2.143 394 1HG GLN 55 1HG GLN 55 -5.710 7.613 -1.780 395 2HG GLN 55 2HG GLN 55 -5.340 7.865 -0.074 396 1HE2 GLN 55 2HE2 GLN 55 -5.045 10.544 0.235 397 2HE2 GLN 55 1HE2 GLN 55 -6.414 11.394 -0.296 398 H THR 56 H THR 56 -4.237 7.447 1.709 399 HA THR 56 HA THR 56 -2.905 4.833 1.127 400 HB THR 56 HB THR 56 -3.092 5.033 3.913 401 HG1 THR 56 HG1 THR 56 -2.600 7.016 4.441 402 1HG2 THR 56 1HG2 THR 56 -1.245 4.262 2.136 403 2HG2 THR 56 2HG2 THR 56 -0.554 5.826 2.569 404 3HG2 THR 56 3HG2 THR 56 -0.836 4.610 3.816 405 H TRP 57 H TRP 57 -3.997 3.177 2.844 406 HA TRP 57 HA TRP 57 -6.927 3.405 2.381 407 1HB TRP 57 1HB TRP 57 -5.256 1.410 1.866 408 2HB TRP 57 2HB TRP 57 -5.493 1.045 3.572 409 HD1 TRP 57 HD1 TRP 57 -7.507 1.437 0.315 410 HE1 TRP 57 HE1 TRP 57 -9.698 0.099 0.554 411 HE3 TRP 57 HE3 TRP 57 -7.127 -0.013 5.196 412 HZ2 TRP 57 HZ2 TRP 57 -11.106 -1.387 2.554 413 HZ3 TRP 57 HZ3 TRP 57 -8.905 -1.387 6.243 414 HH2 TRP 57 HH2 TRP 57 -10.893 -2.074 4.929 415 HA PRO 58 HA PRO 58 -8.743 3.008 3.025 416 1HB PRO 58 1HB PRO 58 -10.564 4.711 4.372 417 2HB PRO 58 2HB PRO 58 -10.613 2.946 4.316 418 1HG PRO 58 1HG PRO 58 -9.985 4.643 6.566 419 2HG PRO 58 2HG PRO 58 -10.125 2.883 6.527 420 1HD PRO 58 1HD PRO 58 -7.710 4.485 6.690 421 2HD PRO 58 2HD PRO 58 -7.861 2.710 6.736 422 H LEU 59 H LEU 59 -10.072 4.952 1.945 423 HA LEU 59 HA LEU 59 -8.147 7.208 1.609 424 1HB LEU 59 1HB LEU 59 -10.045 5.656 -0.036 425 2HB LEU 59 2HB LEU 59 -10.039 7.386 -0.377 426 HG LEU 59 HG LEU 59 -7.381 6.974 -0.236 427 1HD1 LEU 59 1HD1 LEU 59 -8.659 4.333 -0.907 428 2HD1 LEU 59 2HD1 LEU 59 -7.100 4.766 -1.607 429 3HD1 LEU 59 3HD1 LEU 59 -7.281 4.662 0.144 430 1HD2 LEU 59 1HD2 LEU 59 -8.622 7.975 -2.129 431 2HD2 LEU 59 2HD2 LEU 59 -7.410 6.829 -2.699 432 3HD2 LEU 59 3HD2 LEU 59 -9.111 6.364 -2.656 433 HA PRO 60 HA PRO 60 -10.707 10.426 3.173 434 1HB PRO 60 1HB PRO 60 -11.281 11.683 0.625 435 2HB PRO 60 2HB PRO 60 -10.184 12.222 1.900 436 1HG PRO 60 1HG PRO 60 -9.482 11.110 -0.634 437 2HG PRO 60 2HG PRO 60 -8.394 11.570 0.679 438 1HD PRO 60 1HD PRO 60 -9.032 8.913 -0.226 439 2HD PRO 60 2HD PRO 60 -7.969 9.375 1.125 440 H ASN 61 H ASN 61 -12.886 11.757 2.045 441 HA ASN 61 HA ASN 61 -15.094 10.120 2.568 442 1HB ASN 61 1HB ASN 61 -14.770 12.477 0.680 443 2HB ASN 61 2HB ASN 61 -16.329 11.854 1.223 444 1HD2 ASN 61 2HD2 ASN 61 -15.697 11.282 3.945 445 2HD2 ASN 61 1HD2 ASN 61 -15.366 12.743 4.742 446 H LYS 62 H LYS 62 -13.215 10.432 -0.378 447 HA LYS 62 HA LYS 62 -15.132 8.820 -1.958 448 1HB LYS 62 1HB LYS 62 -12.759 10.530 -2.372 449 2HB LYS 62 2HB LYS 62 -12.858 9.145 -3.461 450 1HG LYS 62 1HG LYS 62 -15.372 9.894 -3.712 451 2HG LYS 62 2HG LYS 62 -14.755 11.452 -3.160 452 1HD LYS 62 1HD LYS 62 -14.026 11.865 -5.247 453 2HD LYS 62 2HD LYS 62 -12.926 10.493 -5.107 454 1HE LYS 62 1HE LYS 62 -14.220 9.896 -6.985 455 2HE LYS 62 2HE LYS 62 -15.092 9.079 -5.671 456 1HZ LYS 62 1HZ LYS 62 -16.332 11.263 -5.420 457 2HZ LYS 62 2HZ LYS 62 -15.714 11.677 -6.948 458 3HZ LYS 62 3HZ LYS 62 -16.724 10.321 -6.775 459 H THR 63 H THR 63 -14.730 7.028 -0.216 460 HA THR 63 HA THR 63 -12.186 5.552 -0.597 461 HB THR 63 HB THR 63 -14.482 4.650 1.106 462 HG1 THR 63 HG1 THR 63 -12.739 6.689 1.956 463 1HG2 THR 63 1HG2 THR 63 -11.604 4.274 0.912 464 2HG2 THR 63 2HG2 THR 63 -12.085 4.751 2.540 465 3HG2 THR 63 3HG2 THR 63 -12.798 3.320 1.794 466 H CYS 64 H CYS 64 -12.752 2.975 -0.542 467 HA CYS 64 HA CYS 64 -14.073 2.438 -3.095 468 1HB CYS 64 1HB CYS 64 -11.985 1.357 -1.918 469 2HB CYS 64 2HB CYS 64 -13.193 0.365 -1.099 Start of MODEL 30 1 1H LYS 1 1H LYS 1 5.626 7.388 7.077 2 2H LYS 1 2H LYS 1 6.237 8.283 8.385 3 3H LYS 1 3H LYS 1 6.917 6.779 7.998 4 HA LYS 1 HA LYS 1 5.543 6.396 9.877 5 1HB LYS 1 1HB LYS 1 3.218 7.268 9.846 6 2HB LYS 1 2HB LYS 1 4.395 8.567 9.646 7 1HG LYS 1 1HG LYS 1 3.878 8.881 7.405 8 2HG LYS 1 2HG LYS 1 3.319 7.220 7.196 9 1HD LYS 1 1HD LYS 1 1.385 7.810 8.749 10 2HD LYS 1 2HD LYS 1 1.880 9.493 8.578 11 1HE LYS 1 1HE LYS 1 1.737 8.206 5.975 12 2HE LYS 1 2HE LYS 1 0.188 8.089 6.835 13 1HZ LYS 1 1HZ LYS 1 1.775 10.590 6.731 14 2HZ LYS 1 2HZ LYS 1 0.577 10.230 5.586 15 3HZ LYS 1 3HZ LYS 1 0.160 10.398 7.225 16 H ASP 2 H ASP 2 3.946 4.626 10.021 17 HA ASP 2 HA ASP 2 4.020 2.863 7.690 18 1HB ASP 2 1HB ASP 2 2.422 2.520 10.237 19 2HB ASP 2 2HB ASP 2 3.143 1.266 9.229 20 H GLY 3 H GLY 3 2.193 2.219 6.437 21 1HA GLY 3 1HA GLY 3 -0.476 3.206 7.029 22 2HA GLY 3 2HA GLY 3 0.286 4.099 5.714 23 H TYR 4 H TYR 4 -1.708 3.031 4.645 24 HA TYR 4 HA TYR 4 -0.897 0.363 3.537 25 1HB TYR 4 1HB TYR 4 -3.333 1.374 4.831 26 2HB TYR 4 2HB TYR 4 -3.653 0.592 3.284 27 HD1 TYR 4 HD1 TYR 4 -2.237 -1.659 2.906 28 HD2 TYR 4 HD2 TYR 4 -3.270 0.020 6.721 29 HE1 TYR 4 HE1 TYR 4 -1.942 -3.882 3.964 30 HE2 TYR 4 HE2 TYR 4 -2.975 -2.203 7.780 31 HH TYR 4 HH TYR 4 -1.954 -4.282 7.425 32 H LEU 5 H LEU 5 0.179 1.943 1.903 33 HA LEU 5 HA LEU 5 -1.050 3.786 0.258 34 1HB LEU 5 1HB LEU 5 1.067 1.748 0.003 35 2HB LEU 5 2HB LEU 5 0.388 2.277 -1.536 36 HG LEU 5 HG LEU 5 1.233 4.251 0.585 37 1HD1 LEU 5 1HD1 LEU 5 2.881 2.907 -1.564 38 2HD1 LEU 5 2HD1 LEU 5 3.318 4.481 -0.898 39 3HD1 LEU 5 3HD1 LEU 5 3.252 3.066 0.153 40 1HD2 LEU 5 1HD2 LEU 5 0.220 4.306 -2.185 41 2HD2 LEU 5 2HD2 LEU 5 0.147 5.550 -0.937 42 3HD2 LEU 5 3HD2 LEU 5 1.610 5.354 -1.903 43 H VAL 6 H VAL 6 -2.523 3.729 -1.453 44 HA VAL 6 HA VAL 6 -4.038 1.179 -1.775 45 HB VAL 6 HB VAL 6 -5.819 2.659 -2.537 46 1HG1 VAL 6 1HG1 VAL 6 -4.526 2.842 0.000 47 2HG1 VAL 6 2HG1 VAL 6 -5.099 4.454 -0.429 48 3HG1 VAL 6 3HG1 VAL 6 -6.230 3.101 -0.372 49 1HG2 VAL 6 1HG2 VAL 6 -3.609 4.329 -3.238 50 2HG2 VAL 6 2HG2 VAL 6 -5.317 4.584 -3.595 51 3HG2 VAL 6 3HG2 VAL 6 -4.623 5.224 -2.106 52 H GLU 7 H GLU 7 -5.181 1.455 -4.197 53 HA GLU 7 HA GLU 7 -2.867 1.261 -6.069 54 1HB GLU 7 1HB GLU 7 -5.702 0.218 -5.970 55 2HB GLU 7 2HB GLU 7 -4.757 0.142 -7.457 56 1HG GLU 7 1HG GLU 7 -4.019 -1.086 -4.787 57 2HG GLU 7 2HG GLU 7 -4.492 -1.952 -6.249 58 H LYS 8 H LYS 8 -3.330 2.089 -8.345 59 HA LYS 8 HA LYS 8 -3.802 4.827 -8.478 60 1HB LYS 8 1HB LYS 8 -3.404 2.636 -10.226 61 2HB LYS 8 2HB LYS 8 -4.814 3.500 -10.840 62 1HG LYS 8 1HG LYS 8 -2.352 5.022 -10.018 63 2HG LYS 8 2HG LYS 8 -2.440 4.272 -11.611 64 1HD LYS 8 1HD LYS 8 -3.910 5.814 -12.376 65 2HD LYS 8 2HD LYS 8 -4.868 5.757 -10.897 66 1HE LYS 8 1HE LYS 8 -4.025 7.874 -10.587 67 2HE LYS 8 2HE LYS 8 -2.602 7.000 -9.988 68 1HZ LYS 8 1HZ LYS 8 -2.739 7.150 -12.861 69 2HZ LYS 8 2HZ LYS 8 -2.610 8.673 -12.123 70 3HZ LYS 8 3HZ LYS 8 -1.439 7.485 -11.820 71 H THR 9 H THR 9 -6.181 2.225 -8.418 72 HA THR 9 HA THR 9 -8.411 4.080 -9.019 73 HB THR 9 HB THR 9 -9.662 1.835 -8.635 74 HG1 THR 9 HG1 THR 9 -8.185 0.053 -8.854 75 1HG2 THR 9 1HG2 THR 9 -8.935 2.889 -10.850 76 2HG2 THR 9 2HG2 THR 9 -7.551 1.798 -10.794 77 3HG2 THR 9 3HG2 THR 9 -9.187 1.143 -10.862 78 H GLY 10 H GLY 10 -6.676 3.026 -6.283 79 1HA GLY 10 1HA GLY 10 -7.154 4.018 -4.099 80 2HA GLY 10 2HA GLY 10 -8.870 4.009 -4.517 81 H CYS 11 H CYS 11 -8.333 1.191 -5.687 82 HA CYS 11 HA CYS 11 -9.261 -0.311 -3.419 83 1HB CYS 11 1HB CYS 11 -8.297 -0.816 -6.205 84 2HB CYS 11 2HB CYS 11 -8.404 -2.199 -5.116 85 H LYS 12 H LYS 12 -8.085 -1.384 -1.841 86 HA LYS 12 HA LYS 12 -5.332 -0.844 -1.394 87 1HB LYS 12 1HB LYS 12 -5.584 -2.664 0.293 88 2HB LYS 12 2HB LYS 12 -6.927 -1.527 0.335 89 1HG LYS 12 1HG LYS 12 -8.041 -3.182 -1.361 90 2HG LYS 12 2HG LYS 12 -6.864 -4.335 -0.733 91 1HD LYS 12 1HD LYS 12 -7.944 -4.532 1.252 92 2HD LYS 12 2HD LYS 12 -8.231 -2.795 1.365 93 1HE LYS 12 1HE LYS 12 -10.373 -4.032 1.151 94 2HE LYS 12 2HE LYS 12 -10.096 -3.017 -0.278 95 1HZ LYS 12 1HZ LYS 12 -8.756 -5.430 -0.687 96 2HZ LYS 12 2HZ LYS 12 -10.316 -5.825 -0.151 97 3HZ LYS 12 3HZ LYS 12 -10.114 -4.841 -1.520 98 H LYS 13 H LYS 13 -4.053 -3.197 -0.878 99 HA LYS 13 HA LYS 13 -4.062 -4.766 -3.420 100 1HB LYS 13 1HB LYS 13 -2.162 -2.766 -2.542 101 2HB LYS 13 2HB LYS 13 -1.369 -4.335 -2.689 102 1HG LYS 13 1HG LYS 13 -3.234 -3.545 -4.876 103 2HG LYS 13 2HG LYS 13 -1.685 -2.706 -4.797 104 1HD LYS 13 1HD LYS 13 -1.144 -4.550 -6.119 105 2HD LYS 13 2HD LYS 13 -0.709 -5.130 -4.512 106 1HE LYS 13 1HE LYS 13 -2.336 -6.723 -4.536 107 2HE LYS 13 2HE LYS 13 -3.539 -5.599 -5.199 108 1HZ LYS 13 1HZ LYS 13 -2.170 -5.727 -7.319 109 2HZ LYS 13 2HZ LYS 13 -1.438 -7.100 -6.646 110 3HZ LYS 13 3HZ LYS 13 -3.112 -7.088 -6.936 111 H THR 14 H THR 14 -4.833 -6.583 -2.185 112 HA THR 14 HA THR 14 -3.464 -7.459 0.242 113 HB THR 14 HB THR 14 -5.445 -8.815 -1.621 114 HG1 THR 14 HG1 THR 14 -5.639 -6.956 0.444 115 1HG2 THR 14 1HG2 THR 14 -4.025 -9.719 0.727 116 2HG2 THR 14 2HG2 THR 14 -5.759 -9.661 1.047 117 3HG2 THR 14 3HG2 THR 14 -5.143 -10.611 -0.305 118 H CYS 15 H CYS 15 -1.918 -9.113 0.396 119 HA CYS 15 HA CYS 15 -0.796 -10.098 -2.202 120 1HB CYS 15 1HB CYS 15 1.318 -10.046 -1.120 121 2HB CYS 15 2HB CYS 15 0.502 -8.597 -0.540 122 H TYR 16 H TYR 16 0.390 -12.307 -1.835 123 HA TYR 16 HA TYR 16 -1.397 -14.078 -0.199 124 1HB TYR 16 1HB TYR 16 -0.363 -14.132 -2.977 125 2HB TYR 16 2HB TYR 16 -0.327 -15.681 -2.135 126 HD1 TYR 16 HD1 TYR 16 -2.670 -15.446 -0.345 127 HD2 TYR 16 HD2 TYR 16 -2.195 -14.303 -4.459 128 HE1 TYR 16 HE1 TYR 16 -5.114 -15.689 -0.696 129 HE2 TYR 16 HE2 TYR 16 -4.638 -14.546 -4.809 130 HH TYR 16 HH TYR 16 -6.755 -15.757 -2.230 131 H LYS 17 H LYS 17 1.777 -12.933 -0.695 132 HA LYS 17 HA LYS 17 2.939 -15.239 0.834 133 1HB LYS 17 1HB LYS 17 3.799 -14.894 -1.462 134 2HB LYS 17 2HB LYS 17 4.212 -13.228 -1.053 135 1HG LYS 17 1HG LYS 17 5.456 -14.566 0.971 136 2HG LYS 17 2HG LYS 17 5.595 -15.744 -0.334 137 1HD LYS 17 1HD LYS 17 6.304 -12.837 -0.746 138 2HD LYS 17 2HD LYS 17 7.481 -13.998 -0.129 139 1HE LYS 17 1HE LYS 17 5.953 -14.807 -2.564 140 2HE LYS 17 2HE LYS 17 7.201 -13.561 -2.763 141 1HZ LYS 17 1HZ LYS 17 8.695 -15.022 -1.433 142 2HZ LYS 17 2HZ LYS 17 7.525 -16.246 -1.536 143 3HZ LYS 17 3HZ LYS 17 8.271 -15.664 -2.947 144 H LEU 18 H LEU 18 1.894 -13.810 2.670 145 HA LEU 18 HA LEU 18 2.602 -11.307 3.525 146 1HB LEU 18 1HB LEU 18 2.263 -13.959 4.874 147 2HB LEU 18 2HB LEU 18 2.793 -12.590 5.851 148 HG LEU 18 HG LEU 18 0.353 -12.536 4.058 149 1HD1 LEU 18 1HD1 LEU 18 0.568 -14.015 6.342 150 2HD1 LEU 18 2HD1 LEU 18 0.052 -12.462 6.999 151 3HD1 LEU 18 3HD1 LEU 18 -0.936 -13.279 5.788 152 1HD2 LEU 18 1HD2 LEU 18 1.704 -10.623 5.929 153 2HD2 LEU 18 2HD2 LEU 18 0.939 -10.308 4.371 154 3HD2 LEU 18 3HD2 LEU 18 -0.055 -10.575 5.804 155 H GLY 19 H GLY 19 4.388 -10.386 4.715 156 1HA GLY 19 1HA GLY 19 6.625 -10.514 5.686 157 2HA GLY 19 2HA GLY 19 6.890 -11.994 4.777 158 H GLU 20 H GLU 20 8.854 -11.036 3.990 159 HA GLU 20 HA GLU 20 9.144 -8.613 2.578 160 1HB GLU 20 1HB GLU 20 11.105 -9.746 1.604 161 2HB GLU 20 2HB GLU 20 10.938 -10.169 3.309 162 1HG GLU 20 1HG GLU 20 9.396 -12.000 1.694 163 2HG GLU 20 2HG GLU 20 11.061 -11.947 1.115 164 H ASN 21 H ASN 21 7.012 -8.526 1.412 165 HA ASN 21 HA ASN 21 6.601 -10.364 -0.848 166 1HB ASN 21 1HB ASN 21 4.916 -9.166 0.776 167 2HB ASN 21 2HB ASN 21 5.109 -7.803 -0.327 168 1HD2 ASN 21 2HD2 ASN 21 3.592 -10.910 0.079 169 2HD2 ASN 21 1HD2 ASN 21 2.878 -10.992 -1.458 170 H ASP 22 H ASP 22 8.619 -9.795 -2.067 171 HA ASP 22 HA ASP 22 9.475 -7.297 -2.938 172 1HB ASP 22 1HB ASP 22 9.166 -9.898 -4.480 173 2HB ASP 22 2HB ASP 22 10.195 -8.560 -4.984 174 H PHE 23 H PHE 23 6.902 -9.298 -4.406 175 HA PHE 23 HA PHE 23 6.067 -7.743 -6.548 176 1HB PHE 23 1HB PHE 23 5.171 -9.936 -5.506 177 2HB PHE 23 2HB PHE 23 4.177 -8.901 -4.485 178 HD1 PHE 23 HD1 PHE 23 4.160 -6.789 -7.005 179 HD2 PHE 23 HD2 PHE 23 2.980 -10.867 -6.351 180 HE1 PHE 23 HE1 PHE 23 2.497 -6.599 -8.831 181 HE2 PHE 23 HE2 PHE 23 1.318 -10.677 -8.177 182 HZ PHE 23 HZ PHE 23 1.076 -8.545 -9.419 183 H CYS 24 H CYS 24 4.932 -7.380 -3.169 184 HA CYS 24 HA CYS 24 3.412 -5.006 -3.558 185 1HB CYS 24 1HB CYS 24 3.376 -6.542 -1.588 186 2HB CYS 24 2HB CYS 24 4.972 -5.948 -1.128 187 H ASN 25 H ASN 25 6.777 -5.381 -2.376 188 HA ASN 25 HA ASN 25 7.526 -2.755 -1.955 189 1HB ASN 25 1HB ASN 25 8.756 -5.276 -2.651 190 2HB ASN 25 2HB ASN 25 9.610 -3.957 -3.453 191 1HD2 ASN 25 2HD2 ASN 25 8.969 -5.451 -0.354 192 2HD2 ASN 25 1HD2 ASN 25 9.917 -4.391 0.573 193 H ARG 26 H ARG 26 8.105 -4.334 -5.124 194 HA ARG 26 HA ARG 26 8.693 -2.077 -6.650 195 1HB ARG 26 1HB ARG 26 7.243 -4.664 -7.207 196 2HB ARG 26 2HB ARG 26 7.563 -3.508 -8.499 197 1HG ARG 26 1HG ARG 26 9.812 -3.896 -8.478 198 2HG ARG 26 2HG ARG 26 9.859 -4.155 -6.735 199 1HD ARG 26 1HD ARG 26 8.303 -6.267 -7.783 200 2HD ARG 26 2HD ARG 26 9.717 -6.131 -8.842 201 HE ARG 26 HE ARG 26 9.747 -7.136 -6.167 202 1HH1 ARG 26 1HH1 ARG 26 11.471 -4.900 -8.177 203 2HH1 ARG 26 2HH1 ARG 26 12.847 -4.844 -7.132 204 1HH2 ARG 26 1HH2 ARG 26 11.542 -7.077 -4.829 205 2HH2 ARG 26 2HH2 ARG 26 12.892 -6.074 -5.245 206 H GLU 27 H GLU 27 5.453 -3.403 -5.948 207 HA GLU 27 HA GLU 27 3.997 -1.456 -7.488 208 1HB GLU 27 1HB GLU 27 3.227 -3.176 -5.108 209 2HB GLU 27 2HB GLU 27 2.088 -2.383 -6.196 210 1HG GLU 27 1HG GLU 27 4.077 -3.920 -7.666 211 2HG GLU 27 2HG GLU 27 3.181 -4.931 -6.531 212 H CYS 28 H CYS 28 4.499 -1.701 -3.931 213 HA CYS 28 HA CYS 28 3.216 0.788 -3.318 214 1HB CYS 28 1HB CYS 28 3.570 -0.985 -1.690 215 2HB CYS 28 2HB CYS 28 5.319 -0.857 -1.882 216 H LYS 29 H LYS 29 6.397 0.082 -4.545 217 HA LYS 29 HA LYS 29 7.354 2.814 -3.809 218 1HB LYS 29 1HB LYS 29 8.484 0.178 -4.050 219 2HB LYS 29 2HB LYS 29 9.327 1.271 -5.148 220 1HG LYS 29 1HG LYS 29 9.206 2.870 -2.999 221 2HG LYS 29 2HG LYS 29 9.182 1.309 -2.175 222 1HD LYS 29 1HD LYS 29 11.166 0.748 -3.822 223 2HD LYS 29 2HD LYS 29 11.324 2.504 -3.903 224 1HE LYS 29 1HE LYS 29 11.279 0.906 -1.317 225 2HE LYS 29 2HE LYS 29 12.744 1.541 -2.093 226 1HZ LYS 29 1HZ LYS 29 10.394 3.232 -1.451 227 2HZ LYS 29 2HZ LYS 29 11.705 3.043 -0.387 228 3HZ LYS 29 3HZ LYS 29 11.948 3.742 -1.913 229 H TRP 30 H TRP 30 5.390 2.100 -6.036 230 HA TRP 30 HA TRP 30 6.977 2.792 -8.447 231 1HB TRP 30 1HB TRP 30 5.035 2.043 -9.627 232 2HB TRP 30 2HB TRP 30 5.311 0.909 -8.312 233 HD1 TRP 30 HD1 TRP 30 2.519 0.994 -9.489 234 HE1 TRP 30 HE1 TRP 30 0.480 1.802 -8.150 235 HE3 TRP 30 HE3 TRP 30 4.830 3.886 -5.907 236 HZ2 TRP 30 HZ2 TRP 30 -0.112 3.426 -5.894 237 HZ3 TRP 30 HZ3 TRP 30 3.482 5.031 -4.195 238 HH2 TRP 30 HH2 TRP 30 1.018 4.810 -4.179 239 H LYS 31 H LYS 31 6.823 4.971 -6.663 240 HA LYS 31 HA LYS 31 5.671 7.000 -8.343 241 1HB LYS 31 1HB LYS 31 3.707 5.746 -7.187 242 2HB LYS 31 2HB LYS 31 4.215 6.610 -5.732 243 1HG LYS 31 1HG LYS 31 4.030 8.747 -6.938 244 2HG LYS 31 2HG LYS 31 3.505 7.883 -8.383 245 1HD LYS 31 1HD LYS 31 1.428 7.381 -7.501 246 2HD LYS 31 2HD LYS 31 2.017 7.391 -5.838 247 1HE LYS 31 1HE LYS 31 2.243 9.869 -5.950 248 2HE LYS 31 2HE LYS 31 1.568 9.834 -7.591 249 1HZ LYS 31 1HZ LYS 31 0.033 8.264 -5.760 250 2HZ LYS 31 2HZ LYS 31 0.124 9.886 -5.264 251 3HZ LYS 31 3HZ LYS 31 -0.474 9.505 -6.803 252 H HIS 32 H HIS 32 5.847 9.182 -7.290 253 HA HIS 32 HA HIS 32 8.319 9.504 -5.869 254 1HB HIS 32 1HB HIS 32 6.579 11.047 -7.321 255 2HB HIS 32 2HB HIS 32 6.271 11.630 -5.685 256 HD1 HIS 32 HD1 HIS 32 8.490 12.177 -8.457 257 HD2 HIS 32 HD2 HIS 32 8.923 12.244 -4.311 258 HE1 HIS 32 HE1 HIS 32 10.601 13.493 -7.978 259 H ILE 33 H ILE 33 7.431 7.754 -4.159 260 HA ILE 33 HA ILE 33 5.844 9.078 -2.011 261 HB ILE 33 HB ILE 33 6.821 6.236 -2.429 262 1HG1 ILE 33 1HG1 ILE 33 5.055 5.957 -3.800 263 2HG1 ILE 33 2HG1 ILE 33 3.983 6.391 -2.478 264 1HG2 ILE 33 1HG2 ILE 33 5.970 7.482 -0.081 265 2HG2 ILE 33 2HG2 ILE 33 4.553 6.598 -0.649 266 3HG2 ILE 33 3HG2 ILE 33 6.072 5.745 -0.370 267 1HD1 ILE 33 1HD1 ILE 33 4.495 8.851 -3.164 268 2HD1 ILE 33 2HD1 ILE 33 5.079 8.146 -4.670 269 3HD1 ILE 33 3HD1 ILE 33 3.404 7.914 -4.178 270 H GLY 34 H GLY 34 8.582 6.787 -1.914 271 1HA GLY 34 1HA GLY 34 10.775 7.363 -0.990 272 2HA GLY 34 2HA GLY 34 10.005 8.676 -0.102 273 H GLY 35 H GLY 35 9.201 5.217 -0.401 274 1HA GLY 35 1HA GLY 35 8.666 5.089 2.479 275 2HA GLY 35 2HA GLY 35 8.460 3.769 1.329 276 H SER 36 H SER 36 9.807 3.697 3.948 277 HA SER 36 HA SER 36 12.669 3.333 3.244 278 1HB SER 36 1HB SER 36 12.923 3.257 5.661 279 2HB SER 36 2HB SER 36 11.850 4.592 5.265 280 HG SER 36 HG SER 36 10.143 3.439 5.965 281 H TYR 37 H TYR 37 9.771 1.520 4.054 282 HA TYR 37 HA TYR 37 11.070 -1.002 3.254 283 1HB TYR 37 1HB TYR 37 11.149 -0.185 5.917 284 2HB TYR 37 2HB TYR 37 9.770 -1.283 5.866 285 HD1 TYR 37 HD1 TYR 37 13.304 -1.018 4.637 286 HD2 TYR 37 HD2 TYR 37 10.148 -3.585 6.017 287 HE1 TYR 37 HE1 TYR 37 14.848 -2.957 4.561 288 HE2 TYR 37 HE2 TYR 37 11.692 -5.523 5.940 289 HH TYR 37 HH TYR 37 15.112 -5.112 5.022 290 H GLY 38 H GLY 38 9.510 -1.923 1.970 291 1HA GLY 38 1HA GLY 38 6.659 -1.478 2.758 292 2HA GLY 38 2HA GLY 38 7.189 -1.588 1.083 293 H TYR 39 H TYR 39 6.191 -3.374 3.856 294 HA TYR 39 HA TYR 39 6.542 -5.914 2.297 295 1HB TYR 39 1HB TYR 39 6.691 -6.965 4.631 296 2HB TYR 39 2HB TYR 39 8.067 -5.974 4.149 297 HD1 TYR 39 HD1 TYR 39 5.096 -6.183 6.314 298 HD2 TYR 39 HD2 TYR 39 8.460 -3.789 5.136 299 HE1 TYR 39 HE1 TYR 39 4.747 -4.719 8.289 300 HE2 TYR 39 HE2 TYR 39 8.114 -2.325 7.108 301 HH TYR 39 HH TYR 39 7.032 -2.593 9.427 302 H CYS 40 H CYS 40 4.811 -7.552 2.894 303 HA CYS 40 HA CYS 40 2.199 -6.315 2.808 304 1HB CYS 40 1HB CYS 40 3.125 -8.553 1.852 305 2HB CYS 40 2HB CYS 40 2.754 -9.204 3.451 306 H TYR 41 H TYR 41 0.439 -6.884 4.342 307 HA TYR 41 HA TYR 41 1.103 -7.661 7.090 308 1HB TYR 41 1HB TYR 41 1.772 -5.163 6.582 309 2HB TYR 41 2HB TYR 41 0.037 -4.871 6.694 310 HD1 TYR 41 HD1 TYR 41 -0.860 -6.689 8.776 311 HD2 TYR 41 HD2 TYR 41 2.755 -4.379 8.558 312 HE1 TYR 41 HE1 TYR 41 -0.698 -6.706 11.252 313 HE2 TYR 41 HE2 TYR 41 2.916 -4.395 11.033 314 HH TYR 41 HH TYR 41 2.028 -5.124 12.927 315 H GLY 42 H GLY 42 -0.725 -8.778 7.724 316 1HA GLY 42 1HA GLY 42 -2.966 -9.506 7.727 317 2HA GLY 42 2HA GLY 42 -3.358 -7.784 7.702 318 H PHE 43 H PHE 43 -1.680 -9.743 5.248 319 HA PHE 43 HA PHE 43 -2.163 -10.032 2.951 320 1HB PHE 43 1HB PHE 43 -4.880 -9.889 4.272 321 2HB PHE 43 2HB PHE 43 -4.700 -10.225 2.552 322 HD1 PHE 43 HD1 PHE 43 -1.881 -11.718 3.221 323 HD2 PHE 43 HD2 PHE 43 -5.960 -12.125 4.515 324 HE1 PHE 43 HE1 PHE 43 -1.479 -14.101 3.736 325 HE2 PHE 43 HE2 PHE 43 -5.552 -14.515 5.029 326 HZ PHE 43 HZ PHE 43 -3.314 -15.502 4.639 327 H GLY 44 H GLY 44 -1.303 -7.541 3.338 328 1HA GLY 44 1HA GLY 44 -2.778 -5.997 1.363 329 2HA GLY 44 2HA GLY 44 -2.889 -5.303 2.981 330 H CYS 45 H CYS 45 -1.481 -4.286 0.542 331 HA CYS 45 HA CYS 45 1.372 -4.575 0.924 332 1HB CYS 45 1HB CYS 45 -0.552 -3.172 -0.764 333 2HB CYS 45 2HB CYS 45 0.852 -2.167 -0.400 334 H TYR 46 H TYR 46 1.866 -4.059 3.136 335 HA TYR 46 HA TYR 46 1.075 -1.380 4.151 336 1HB TYR 46 1HB TYR 46 1.057 -3.717 5.364 337 2HB TYR 46 2HB TYR 46 2.776 -3.395 5.595 338 HD1 TYR 46 HD1 TYR 46 -0.509 -1.599 5.878 339 HD2 TYR 46 HD2 TYR 46 3.409 -2.240 7.519 340 HE1 TYR 46 HE1 TYR 46 -1.046 -0.072 7.757 341 HE2 TYR 46 HE2 TYR 46 2.871 -0.713 9.398 342 HH TYR 46 HH TYR 46 -0.378 0.569 9.848 343 H CYS 47 H CYS 47 2.496 0.326 4.073 344 HA CYS 47 HA CYS 47 5.410 -0.301 3.686 345 1HB CYS 47 1HB CYS 47 3.499 1.490 2.234 346 2HB CYS 47 2HB CYS 47 5.179 2.009 2.375 347 H GLU 48 H GLU 48 6.852 1.410 4.509 348 HA GLU 48 HA GLU 48 5.580 3.048 6.682 349 1HB GLU 48 1HB GLU 48 8.164 1.487 6.491 350 2HB GLU 48 2HB GLU 48 7.912 2.711 7.736 351 1HG GLU 48 1HG GLU 48 5.707 1.445 8.241 352 2HG GLU 48 2HG GLU 48 6.424 0.124 7.318 353 H GLY 49 H GLY 49 6.451 5.174 6.980 354 1HA GLY 49 1HA GLY 49 7.980 6.979 6.470 355 2HA GLY 49 2HA GLY 49 8.510 6.089 5.042 356 H LEU 50 H LEU 50 5.381 5.627 4.764 357 HA LEU 50 HA LEU 50 4.833 7.240 2.586 358 1HB LEU 50 1HB LEU 50 2.897 6.552 4.816 359 2HB LEU 50 2HB LEU 50 2.491 6.835 3.126 360 HG LEU 50 HG LEU 50 3.996 4.505 4.321 361 1HD1 LEU 50 1HD1 LEU 50 1.535 4.381 4.167 362 2HD1 LEU 50 2HD1 LEU 50 1.630 4.729 2.441 363 3HD1 LEU 50 3HD1 LEU 50 2.301 3.227 3.076 364 1HD2 LEU 50 1HD2 LEU 50 3.829 5.322 1.401 365 2HD2 LEU 50 2HD2 LEU 50 5.295 5.294 2.382 366 3HD2 LEU 50 3HD2 LEU 50 4.467 3.787 1.989 367 HA PRO 51 HA PRO 51 5.190 11.230 4.755 368 1HB PRO 51 1HB PRO 51 4.893 12.496 2.198 369 2HB PRO 51 2HB PRO 51 6.370 12.304 3.146 370 1HG PRO 51 1HG PRO 51 5.659 10.966 0.709 371 2HG PRO 51 2HG PRO 51 7.134 10.778 1.662 372 1HD PRO 51 1HD PRO 51 4.940 8.913 1.395 373 2HD PRO 51 2HD PRO 51 6.443 8.712 2.330 374 H ASP 52 H ASP 52 3.597 12.900 5.142 375 HA ASP 52 HA ASP 52 0.880 12.175 5.075 376 1HB ASP 52 1HB ASP 52 2.425 14.746 5.282 377 2HB ASP 52 2HB ASP 52 0.662 14.791 5.258 378 H SER 53 H SER 53 2.805 13.836 2.615 379 HA SER 53 HA SER 53 0.763 14.915 0.987 380 1HB SER 53 1HB SER 53 3.484 14.710 0.954 381 2HB SER 53 2HB SER 53 3.057 13.619 -0.361 382 HG SER 53 HG SER 53 2.283 15.257 -1.482 383 H THR 54 H THR 54 2.177 11.623 0.901 384 HA THR 54 HA THR 54 0.542 10.731 -1.313 385 HB THR 54 HB THR 54 2.025 9.226 0.867 386 HG1 THR 54 HG1 THR 54 3.443 9.110 -1.190 387 1HG2 THR 54 1HG2 THR 54 0.681 8.414 -1.681 388 2HG2 THR 54 2HG2 THR 54 2.164 7.585 -1.208 389 3HG2 THR 54 3HG2 THR 54 0.763 7.564 -0.138 390 H GLN 55 H GLN 55 -1.316 9.374 -1.239 391 HA GLN 55 HA GLN 55 -2.994 9.692 1.181 392 1HB GLN 55 1HB GLN 55 -3.409 8.719 -1.658 393 2HB GLN 55 2HB GLN 55 -4.690 8.671 -0.447 394 1HG GLN 55 1HG GLN 55 -3.214 11.129 -1.427 395 2HG GLN 55 2HG GLN 55 -4.910 10.733 -1.710 396 1HE2 GLN 55 2HE2 GLN 55 -5.938 10.055 0.705 397 2HE2 GLN 55 1HE2 GLN 55 -5.702 11.278 1.859 398 H THR 56 H THR 56 -4.317 7.673 1.818 399 HA THR 56 HA THR 56 -2.828 5.120 1.402 400 HB THR 56 HB THR 56 -1.988 6.327 3.443 401 HG1 THR 56 HG1 THR 56 -2.522 3.880 3.158 402 1HG2 THR 56 1HG2 THR 56 -4.839 5.898 4.378 403 2HG2 THR 56 2HG2 THR 56 -3.513 6.478 5.384 404 3HG2 THR 56 3HG2 THR 56 -4.090 7.457 4.036 405 H TRP 57 H TRP 57 -4.143 3.258 2.373 406 HA TRP 57 HA TRP 57 -6.938 3.520 1.529 407 1HB TRP 57 1HB TRP 57 -5.173 1.577 1.291 408 2HB TRP 57 2HB TRP 57 -5.723 1.142 2.910 409 HD1 TRP 57 HD1 TRP 57 -6.749 1.057 -0.706 410 HE1 TRP 57 HE1 TRP 57 -9.047 -0.091 -0.925 411 HE3 TRP 57 HE3 TRP 57 -8.072 0.795 4.217 412 HZ2 TRP 57 HZ2 TRP 57 -11.166 -1.004 0.767 413 HZ3 TRP 57 HZ3 TRP 57 -10.234 -0.217 4.887 414 HH2 TRP 57 HH2 TRP 57 -11.782 -1.115 3.170 415 HA PRO 58 HA PRO 58 -8.691 2.759 1.700 416 1HB PRO 58 1HB PRO 58 -11.193 3.610 2.617 417 2HB PRO 58 2HB PRO 58 -10.618 1.939 2.623 418 1HG PRO 58 1HG PRO 58 -11.079 3.703 4.890 419 2HG PRO 58 2HG PRO 58 -10.701 1.977 4.892 420 1HD PRO 58 1HD PRO 58 -8.934 4.207 5.500 421 2HD PRO 58 2HD PRO 58 -8.587 2.463 5.609 422 H LEU 59 H LEU 59 -10.076 4.363 0.331 423 HA LEU 59 HA LEU 59 -8.883 7.019 0.430 424 1HB LEU 59 1HB LEU 59 -10.529 5.348 -1.306 425 2HB LEU 59 2HB LEU 59 -11.091 7.019 -1.295 426 HG LEU 59 HG LEU 59 -8.867 7.820 -1.873 427 1HD1 LEU 59 1HD1 LEU 59 -7.766 5.865 -0.585 428 2HD1 LEU 59 2HD1 LEU 59 -7.952 4.953 -2.083 429 3HD1 LEU 59 3HD1 LEU 59 -6.972 6.419 -2.059 430 1HD2 LEU 59 1HD2 LEU 59 -9.827 5.500 -3.575 431 2HD2 LEU 59 2HD2 LEU 59 -10.256 7.201 -3.760 432 3HD2 LEU 59 3HD2 LEU 59 -8.611 6.664 -4.100 433 HA PRO 60 HA PRO 60 -11.818 9.440 2.643 434 1HB PRO 60 1HB PRO 60 -12.970 10.819 0.361 435 2HB PRO 60 2HB PRO 60 -11.848 11.445 1.574 436 1HG PRO 60 1HG PRO 60 -11.273 10.804 -1.148 437 2HG PRO 60 2HG PRO 60 -10.136 11.337 0.095 438 1HD PRO 60 1HD PRO 60 -10.348 8.720 -1.097 439 2HD PRO 60 2HD PRO 60 -9.220 9.249 0.177 440 H ASN 61 H ASN 61 -14.398 10.263 2.117 441 HA ASN 61 HA ASN 61 -16.030 8.026 2.473 442 1HB ASN 61 1HB ASN 61 -16.287 10.839 1.846 443 2HB ASN 61 2HB ASN 61 -17.508 9.918 0.967 444 1HD2 ASN 61 2HD2 ASN 61 -18.716 8.228 2.415 445 2HD2 ASN 61 1HD2 ASN 61 -19.083 8.714 4.000 446 H LYS 62 H LYS 62 -14.603 9.255 -0.452 447 HA LYS 62 HA LYS 62 -16.290 7.612 -2.235 448 1HB LYS 62 1HB LYS 62 -15.023 9.988 -2.485 449 2HB LYS 62 2HB LYS 62 -13.775 8.927 -3.139 450 1HG LYS 62 1HG LYS 62 -16.632 9.218 -4.098 451 2HG LYS 62 2HG LYS 62 -15.155 9.581 -4.992 452 1HD LYS 62 1HD LYS 62 -14.699 6.982 -4.358 453 2HD LYS 62 2HD LYS 62 -16.458 6.968 -4.476 454 1HE LYS 62 1HE LYS 62 -16.444 7.543 -6.742 455 2HE LYS 62 2HE LYS 62 -14.852 8.320 -6.637 456 1HZ LYS 62 1HZ LYS 62 -14.477 5.717 -5.797 457 2HZ LYS 62 2HZ LYS 62 -15.474 5.595 -7.167 458 3HZ LYS 62 3HZ LYS 62 -13.976 6.389 -7.272 459 H THR 63 H THR 63 -15.483 5.616 -0.904 460 HA THR 63 HA THR 63 -12.785 4.697 -1.066 461 HB THR 63 HB THR 63 -15.254 2.959 -1.094 462 HG1 THR 63 HG1 THR 63 -14.236 4.608 0.968 463 1HG2 THR 63 1HG2 THR 63 -12.432 2.674 -0.412 464 2HG2 THR 63 2HG2 THR 63 -13.490 2.172 0.906 465 3HG2 THR 63 3HG2 THR 63 -13.650 1.429 -0.686 466 H CYS 64 H CYS 64 -12.226 2.619 -2.361 467 HA CYS 64 HA CYS 64 -12.275 3.159 -5.162 468 1HB CYS 64 1HB CYS 64 -10.614 1.793 -3.888 469 2HB CYS 64 2HB CYS 64 -11.841 0.544 -3.678 Start of MODEL 31 1 1H LYS 1 1H LYS 1 5.380 7.113 9.269 2 2H LYS 1 2H LYS 1 5.195 7.727 10.841 3 3H LYS 1 3H LYS 1 5.837 6.172 10.605 4 HA LYS 1 HA LYS 1 3.603 5.840 11.280 5 1HB LYS 1 1HB LYS 1 1.841 7.212 10.433 6 2HB LYS 1 2HB LYS 1 3.184 8.317 10.725 7 1HG LYS 1 1HG LYS 1 2.540 8.939 8.571 8 2HG LYS 1 2HG LYS 1 3.805 7.758 8.227 9 1HD LYS 1 1HD LYS 1 2.341 6.339 7.258 10 2HD LYS 1 2HD LYS 1 1.209 6.485 8.602 11 1HE LYS 1 1HE LYS 1 1.508 8.612 6.455 12 2HE LYS 1 2HE LYS 1 0.283 7.328 6.402 13 1HZ LYS 1 1HZ LYS 1 -0.320 8.009 8.720 14 2HZ LYS 1 2HZ LYS 1 0.661 9.377 8.515 15 3HZ LYS 1 3HZ LYS 1 -0.700 9.155 7.524 16 H ASP 2 H ASP 2 2.189 4.297 10.227 17 HA ASP 2 HA ASP 2 3.315 3.225 7.679 18 1HB ASP 2 1HB ASP 2 1.227 1.881 9.380 19 2HB ASP 2 2HB ASP 2 2.522 1.151 8.435 20 H GLY 3 H GLY 3 1.758 2.505 6.017 21 1HA GLY 3 1HA GLY 3 -0.988 3.565 6.193 22 2HA GLY 3 2HA GLY 3 0.034 4.292 4.952 23 H TYR 4 H TYR 4 -1.826 3.234 3.635 24 HA TYR 4 HA TYR 4 -0.905 0.500 2.824 25 1HB TYR 4 1HB TYR 4 -3.382 1.326 4.038 26 2HB TYR 4 2HB TYR 4 -3.706 0.743 2.405 27 HD1 TYR 4 HD1 TYR 4 -2.272 -1.450 1.756 28 HD2 TYR 4 HD2 TYR 4 -3.361 -0.261 5.738 29 HE1 TYR 4 HE1 TYR 4 -1.986 -3.788 2.535 30 HE2 TYR 4 HE2 TYR 4 -3.076 -2.600 6.514 31 HH TYR 4 HH TYR 4 -2.732 -4.716 5.884 32 H LEU 5 H LEU 5 -1.474 -0.007 0.558 33 HA LEU 5 HA LEU 5 -1.396 2.423 -1.145 34 1HB LEU 5 1HB LEU 5 -0.568 -0.405 -1.251 35 2HB LEU 5 2HB LEU 5 -1.200 0.219 -2.776 36 HG LEU 5 HG LEU 5 0.788 1.850 -1.224 37 1HD1 LEU 5 1HD1 LEU 5 1.418 -0.721 -1.796 38 2HD1 LEU 5 2HD1 LEU 5 1.829 0.037 -3.334 39 3HD1 LEU 5 3HD1 LEU 5 2.596 0.591 -1.846 40 1HD2 LEU 5 1HD2 LEU 5 -0.579 2.036 -3.709 41 2HD2 LEU 5 2HD2 LEU 5 0.663 3.122 -3.083 42 3HD2 LEU 5 3HD2 LEU 5 1.119 1.743 -4.085 43 H VAL 6 H VAL 6 -2.944 2.809 -2.784 44 HA VAL 6 HA VAL 6 -5.510 1.288 -2.493 45 HB VAL 6 HB VAL 6 -6.556 3.375 -3.197 46 1HG1 VAL 6 1HG1 VAL 6 -5.035 3.042 -0.857 47 2HG1 VAL 6 2HG1 VAL 6 -4.686 4.680 -1.409 48 3HG1 VAL 6 3HG1 VAL 6 -6.353 4.187 -1.108 49 1HG2 VAL 6 1HG2 VAL 6 -4.278 3.824 -4.625 50 2HG2 VAL 6 2HG2 VAL 6 -5.451 5.084 -4.245 51 3HG2 VAL 6 3HG2 VAL 6 -4.008 4.894 -3.250 52 H GLU 7 H GLU 7 -6.755 1.983 -4.826 53 HA GLU 7 HA GLU 7 -4.905 0.970 -6.969 54 1HB GLU 7 1HB GLU 7 -6.938 -0.405 -5.812 55 2HB GLU 7 2HB GLU 7 -7.819 0.404 -7.109 56 1HG GLU 7 1HG GLU 7 -5.653 -0.420 -8.496 57 2HG GLU 7 2HG GLU 7 -5.715 -1.689 -7.271 58 H LYS 8 H LYS 8 -5.784 1.503 -9.216 59 HA LYS 8 HA LYS 8 -6.008 4.231 -9.714 60 1HB LYS 8 1HB LYS 8 -6.880 1.718 -11.102 61 2HB LYS 8 2HB LYS 8 -7.353 3.269 -11.799 62 1HG LYS 8 1HG LYS 8 -4.778 3.829 -11.351 63 2HG LYS 8 2HG LYS 8 -4.632 2.076 -11.497 64 1HD LYS 8 1HD LYS 8 -4.346 2.934 -13.708 65 2HD LYS 8 2HD LYS 8 -5.984 2.280 -13.655 66 1HE LYS 8 1HE LYS 8 -6.071 5.010 -12.760 67 2HE LYS 8 2HE LYS 8 -5.218 4.939 -14.315 68 1HZ LYS 8 1HZ LYS 8 -7.075 3.268 -14.917 69 2HZ LYS 8 2HZ LYS 8 -7.931 3.998 -13.648 70 3HZ LYS 8 3HZ LYS 8 -7.418 4.932 -14.971 71 H THR 9 H THR 9 -8.585 1.980 -8.813 72 HA THR 9 HA THR 9 -10.683 4.026 -9.196 73 HB THR 9 HB THR 9 -12.141 2.151 -8.629 74 HG1 THR 9 HG1 THR 9 -9.934 0.490 -8.242 75 1HG2 THR 9 1HG2 THR 9 -9.823 1.563 -10.457 76 2HG2 THR 9 2HG2 THR 9 -11.140 0.408 -10.256 77 3HG2 THR 9 3HG2 THR 9 -11.471 2.022 -10.884 78 H GLY 10 H GLY 10 -8.540 2.986 -6.729 79 1HA GLY 10 1HA GLY 10 -8.382 4.277 -4.653 80 2HA GLY 10 2HA GLY 10 -10.129 4.514 -4.719 81 H CYS 11 H CYS 11 -9.439 1.360 -5.607 82 HA CYS 11 HA CYS 11 -10.556 0.292 -3.131 83 1HB CYS 11 1HB CYS 11 -9.641 -0.684 -5.806 84 2HB CYS 11 2HB CYS 11 -9.791 -1.870 -4.510 85 H LYS 12 H LYS 12 -9.167 -1.996 -2.630 86 HA LYS 12 HA LYS 12 -6.542 -0.969 -1.632 87 1HB LYS 12 1HB LYS 12 -6.847 -3.135 -0.184 88 2HB LYS 12 2HB LYS 12 -7.827 -1.721 0.186 89 1HG LYS 12 1HG LYS 12 -9.759 -2.661 -0.706 90 2HG LYS 12 2HG LYS 12 -8.864 -3.740 -1.777 91 1HD LYS 12 1HD LYS 12 -8.679 -4.039 1.216 92 2HD LYS 12 2HD LYS 12 -10.009 -4.769 0.318 93 1HE LYS 12 1HE LYS 12 -8.648 -6.329 -0.689 94 2HE LYS 12 2HE LYS 12 -7.261 -5.223 -0.759 95 1HZ LYS 12 1HZ LYS 12 -7.543 -5.379 1.846 96 2HZ LYS 12 2HZ LYS 12 -8.187 -6.901 1.451 97 3HZ LYS 12 3HZ LYS 12 -6.604 -6.504 0.987 98 H LYS 13 H LYS 13 -5.005 -3.078 -1.310 99 HA LYS 13 HA LYS 13 -5.055 -4.673 -3.845 100 1HB LYS 13 1HB LYS 13 -3.537 -2.471 -3.541 101 2HB LYS 13 2HB LYS 13 -2.465 -3.647 -2.780 102 1HG LYS 13 1HG LYS 13 -2.301 -4.949 -4.749 103 2HG LYS 13 2HG LYS 13 -3.717 -4.184 -5.474 104 1HD LYS 13 1HD LYS 13 -1.182 -2.663 -4.822 105 2HD LYS 13 2HD LYS 13 -1.479 -3.402 -6.397 106 1HE LYS 13 1HE LYS 13 -3.315 -1.973 -6.851 107 2HE LYS 13 2HE LYS 13 -3.481 -1.508 -5.146 108 1HZ LYS 13 1HZ LYS 13 -0.997 -0.800 -5.489 109 2HZ LYS 13 2HZ LYS 13 -1.469 -0.670 -7.112 110 3HZ LYS 13 3HZ LYS 13 -2.261 0.249 -5.922 111 H THR 14 H THR 14 -4.900 -6.814 -3.307 112 HA THR 14 HA THR 14 -3.716 -7.538 -0.662 113 HB THR 14 HB THR 14 -5.722 -8.732 -2.567 114 HG1 THR 14 HG1 THR 14 -7.008 -8.309 -0.959 115 1HG2 THR 14 1HG2 THR 14 -3.895 -10.184 -0.722 116 2HG2 THR 14 2HG2 THR 14 -5.595 -10.652 -0.679 117 3HG2 THR 14 3HG2 THR 14 -4.693 -10.747 -2.191 118 H CYS 15 H CYS 15 -2.039 -9.075 -0.558 119 HA CYS 15 HA CYS 15 -0.836 -9.905 -3.178 120 1HB CYS 15 1HB CYS 15 1.342 -9.758 -1.654 121 2HB CYS 15 2HB CYS 15 0.693 -8.320 -2.434 122 H TYR 16 H TYR 16 -0.419 -12.071 -3.341 123 HA TYR 16 HA TYR 16 -1.333 -13.887 -1.278 124 1HB TYR 16 1HB TYR 16 0.108 -14.116 -3.923 125 2HB TYR 16 2HB TYR 16 -0.258 -15.540 -2.949 126 HD1 TYR 16 HD1 TYR 16 -2.859 -15.009 -1.803 127 HD2 TYR 16 HD2 TYR 16 -1.383 -14.046 -5.721 128 HE1 TYR 16 HE1 TYR 16 -5.179 -15.015 -2.679 129 HE2 TYR 16 HE2 TYR 16 -3.704 -14.053 -6.597 130 HH TYR 16 HH TYR 16 -5.841 -14.480 -6.137 131 H LYS 17 H LYS 17 1.921 -13.113 -2.575 132 HA LYS 17 HA LYS 17 3.256 -14.812 -0.601 133 1HB LYS 17 1HB LYS 17 3.811 -13.553 -3.070 134 2HB LYS 17 2HB LYS 17 4.934 -12.850 -1.905 135 1HG LYS 17 1HG LYS 17 5.122 -15.442 -1.183 136 2HG LYS 17 2HG LYS 17 4.736 -15.647 -2.892 137 1HD LYS 17 1HD LYS 17 6.824 -13.639 -2.137 138 2HD LYS 17 2HD LYS 17 7.252 -15.350 -2.097 139 1HE LYS 17 1HE LYS 17 5.844 -14.215 -4.512 140 2HE LYS 17 2HE LYS 17 7.604 -14.052 -4.339 141 1HZ LYS 17 1HZ LYS 17 6.382 -16.649 -3.748 142 2HZ LYS 17 2HZ LYS 17 6.557 -16.208 -5.380 143 3HZ LYS 17 3HZ LYS 17 7.920 -16.298 -4.372 144 H LEU 18 H LEU 18 3.169 -14.106 1.516 145 HA LEU 18 HA LEU 18 3.138 -11.261 2.212 146 1HB LEU 18 1HB LEU 18 3.303 -13.874 3.739 147 2HB LEU 18 2HB LEU 18 3.243 -12.301 4.538 148 HG LEU 18 HG LEU 18 1.181 -13.236 2.527 149 1HD1 LEU 18 1HD1 LEU 18 1.202 -13.360 5.555 150 2HD1 LEU 18 2HD1 LEU 18 -0.272 -13.486 4.594 151 3HD1 LEU 18 3HD1 LEU 18 0.997 -14.700 4.427 152 1HD2 LEU 18 1HD2 LEU 18 1.781 -10.702 3.398 153 2HD2 LEU 18 2HD2 LEU 18 0.187 -11.208 2.839 154 3HD2 LEU 18 3HD2 LEU 18 0.551 -11.192 4.564 155 H GLY 19 H GLY 19 4.832 -10.901 4.268 156 1HA GLY 19 1HA GLY 19 7.099 -10.603 4.859 157 2HA GLY 19 2HA GLY 19 7.455 -12.037 3.905 158 H GLU 20 H GLU 20 9.332 -10.941 3.111 159 HA GLU 20 HA GLU 20 9.584 -8.490 1.830 160 1HB GLU 20 1HB GLU 20 11.115 -10.677 2.193 161 2HB GLU 20 2HB GLU 20 10.747 -10.886 0.482 162 1HG GLU 20 1HG GLU 20 11.557 -8.158 1.359 163 2HG GLU 20 2HG GLU 20 12.815 -9.393 1.326 164 H ASN 21 H ASN 21 7.487 -8.039 0.805 165 HA ASN 21 HA ASN 21 6.843 -9.635 -1.630 166 1HB ASN 21 1HB ASN 21 5.073 -9.230 0.004 167 2HB ASN 21 2HB ASN 21 5.377 -7.493 -0.056 168 1HD2 ASN 21 2HD2 ASN 21 3.481 -9.976 -1.410 169 2HD2 ASN 21 1HD2 ASN 21 2.916 -9.134 -2.771 170 H ASP 22 H ASP 22 8.632 -8.716 -2.919 171 HA ASP 22 HA ASP 22 9.221 -6.007 -3.343 172 1HB ASP 22 1HB ASP 22 10.359 -8.077 -4.255 173 2HB ASP 22 2HB ASP 22 9.067 -8.185 -5.451 174 H PHE 23 H PHE 23 6.608 -7.964 -4.735 175 HA PHE 23 HA PHE 23 5.611 -6.358 -6.760 176 1HB PHE 23 1HB PHE 23 4.810 -8.577 -5.618 177 2HB PHE 23 2HB PHE 23 3.803 -7.506 -4.642 178 HD1 PHE 23 HD1 PHE 23 4.841 -7.321 -8.236 179 HD2 PHE 23 HD2 PHE 23 1.609 -7.686 -5.432 180 HE1 PHE 23 HE1 PHE 23 3.210 -7.154 -10.095 181 HE2 PHE 23 HE2 PHE 23 -0.024 -7.516 -7.291 182 HZ PHE 23 HZ PHE 23 0.777 -7.250 -9.622 183 H CYS 24 H CYS 24 4.361 -6.120 -3.405 184 HA CYS 24 HA CYS 24 3.110 -3.565 -3.794 185 1HB CYS 24 1HB CYS 24 4.124 -4.950 -1.287 186 2HB CYS 24 2HB CYS 24 2.928 -3.660 -1.327 187 H ASN 25 H ASN 25 6.222 -4.489 -2.292 188 HA ASN 25 HA ASN 25 7.089 -1.935 -1.460 189 1HB ASN 25 1HB ASN 25 8.442 -3.645 -0.716 190 2HB ASN 25 2HB ASN 25 8.268 -4.565 -2.208 191 1HD2 ASN 25 2HD2 ASN 25 9.809 -4.195 -3.906 192 2HD2 ASN 25 1HD2 ASN 25 11.177 -3.212 -3.699 193 H ARG 26 H ARG 26 7.524 -3.535 -4.633 194 HA ARG 26 HA ARG 26 9.097 -1.517 -5.874 195 1HB ARG 26 1HB ARG 26 8.257 -3.956 -6.536 196 2HB ARG 26 2HB ARG 26 7.023 -3.040 -7.401 197 1HG ARG 26 1HG ARG 26 8.511 -2.705 -9.054 198 2HG ARG 26 2HG ARG 26 9.467 -1.733 -7.933 199 1HD ARG 26 1HD ARG 26 10.534 -3.888 -7.118 200 2HD ARG 26 2HD ARG 26 9.725 -4.712 -8.465 201 HE ARG 26 HE ARG 26 10.956 -2.467 -9.602 202 1HH1 ARG 26 1HH1 ARG 26 11.896 -5.234 -7.760 203 2HH1 ARG 26 2HH1 ARG 26 13.482 -5.313 -8.448 204 1HH2 ARG 26 1HH2 ARG 26 13.018 -2.565 -10.510 205 2HH2 ARG 26 2HH2 ARG 26 14.119 -3.801 -10.001 206 H GLU 27 H GLU 27 5.521 -1.894 -5.774 207 HA GLU 27 HA GLU 27 4.957 0.401 -7.413 208 1HB GLU 27 1HB GLU 27 3.584 -1.566 -5.788 209 2HB GLU 27 2HB GLU 27 2.873 0.030 -5.546 210 1HG GLU 27 1HG GLU 27 1.705 -0.512 -7.438 211 2HG GLU 27 2HG GLU 27 3.167 0.066 -8.237 212 H CYS 28 H CYS 28 5.210 -0.003 -3.879 213 HA CYS 28 HA CYS 28 4.535 2.680 -3.153 214 1HB CYS 28 1HB CYS 28 4.916 0.370 -1.867 215 2HB CYS 28 2HB CYS 28 6.517 1.060 -1.607 216 H LYS 29 H LYS 29 7.448 1.318 -4.503 217 HA LYS 29 HA LYS 29 8.920 3.859 -3.891 218 1HB LYS 29 1HB LYS 29 9.774 1.653 -2.996 219 2HB LYS 29 2HB LYS 29 10.010 1.138 -4.668 220 1HG LYS 29 1HG LYS 29 11.491 3.098 -5.041 221 2HG LYS 29 2HG LYS 29 11.301 3.542 -3.344 222 1HD LYS 29 1HD LYS 29 12.653 1.845 -2.606 223 2HD LYS 29 2HD LYS 29 12.134 0.740 -3.881 224 1HE LYS 29 1HE LYS 29 13.517 1.943 -5.524 225 2HE LYS 29 2HE LYS 29 14.012 3.101 -4.273 226 1HZ LYS 29 1HZ LYS 29 14.267 0.282 -3.599 227 2HZ LYS 29 2HZ LYS 29 15.355 0.861 -4.769 228 3HZ LYS 29 3HZ LYS 29 15.298 1.582 -3.235 229 H TRP 30 H TRP 30 7.511 4.556 -5.881 230 HA TRP 30 HA TRP 30 9.237 4.662 -8.195 231 1HB TRP 30 1HB TRP 30 8.575 2.757 -9.226 232 2HB TRP 30 2HB TRP 30 7.535 2.388 -7.862 233 HD1 TRP 30 HD1 TRP 30 5.111 2.153 -8.435 234 HE1 TRP 30 HE1 TRP 30 3.544 2.970 -10.315 235 HE3 TRP 30 HE3 TRP 30 8.369 5.043 -11.088 236 HZ2 TRP 30 HZ2 TRP 30 3.666 4.631 -12.641 237 HZ3 TRP 30 HZ3 TRP 30 7.622 6.230 -13.131 238 HH2 TRP 30 HH2 TRP 30 5.277 6.028 -13.911 239 H LYS 31 H LYS 31 8.855 6.797 -8.589 240 HA LYS 31 HA LYS 31 7.686 8.734 -9.265 241 1HB LYS 31 1HB LYS 31 6.078 6.431 -10.013 242 2HB LYS 31 2HB LYS 31 5.054 7.811 -9.615 243 1HG LYS 31 1HG LYS 31 7.450 8.030 -11.448 244 2HG LYS 31 2HG LYS 31 5.827 7.673 -12.042 245 1HD LYS 31 1HD LYS 31 5.003 9.774 -11.448 246 2HD LYS 31 2HD LYS 31 6.249 10.029 -10.226 247 1HE LYS 31 1HE LYS 31 7.133 9.748 -13.076 248 2HE LYS 31 2HE LYS 31 6.393 11.280 -12.572 249 1HZ LYS 31 1HZ LYS 31 8.488 9.934 -10.968 250 2HZ LYS 31 2HZ LYS 31 8.874 11.056 -12.185 251 3HZ LYS 31 3HZ LYS 31 7.946 11.540 -10.850 252 H HIS 32 H HIS 32 7.224 7.105 -6.454 253 HA HIS 32 HA HIS 32 6.315 9.268 -4.900 254 1HB HIS 32 1HB HIS 32 4.244 9.206 -6.145 255 2HB HIS 32 2HB HIS 32 4.126 7.455 -5.971 256 HD1 HIS 32 HD1 HIS 32 3.917 6.630 -3.350 257 HD2 HIS 32 HD2 HIS 32 2.938 10.601 -4.160 258 HE1 HIS 32 HE1 HIS 32 2.573 7.457 -1.367 259 H ILE 33 H ILE 33 7.026 8.619 -2.892 260 HA ILE 33 HA ILE 33 6.381 5.870 -1.967 261 HB ILE 33 HB ILE 33 8.471 5.449 -2.920 262 1HG1 ILE 33 1HG1 ILE 33 10.096 5.282 -1.073 263 2HG1 ILE 33 2HG1 ILE 33 9.115 6.385 -0.112 264 1HG2 ILE 33 1HG2 ILE 33 8.841 8.299 -2.569 265 2HG2 ILE 33 2HG2 ILE 33 10.282 7.410 -2.077 266 3HG2 ILE 33 3HG2 ILE 33 9.629 7.202 -3.702 267 1HD1 ILE 33 1HD1 ILE 33 7.206 4.787 -0.300 268 2HD1 ILE 33 2HD1 ILE 33 8.272 3.664 -1.144 269 3HD1 ILE 33 3HD1 ILE 33 8.596 4.094 0.535 270 H GLY 34 H GLY 34 8.674 8.309 -0.731 271 1HA GLY 34 1HA GLY 34 8.337 9.810 1.103 272 2HA GLY 34 2HA GLY 34 6.788 9.031 1.424 273 H GLY 35 H GLY 35 7.868 6.318 1.389 274 1HA GLY 35 1HA GLY 35 9.386 6.424 3.967 275 2HA GLY 35 2HA GLY 35 8.221 5.160 3.575 276 H SER 36 H SER 36 10.500 4.079 4.260 277 HA SER 36 HA SER 36 11.852 3.388 1.672 278 1HB SER 36 1HB SER 36 13.811 3.127 3.563 279 2HB SER 36 2HB SER 36 13.562 4.581 2.601 280 HG SER 36 HG SER 36 13.529 4.519 5.130 281 H TYR 37 H TYR 37 9.784 2.105 3.702 282 HA TYR 37 HA TYR 37 11.021 -0.598 3.563 283 1HB TYR 37 1HB TYR 37 11.385 0.820 5.786 284 2HB TYR 37 2HB TYR 37 9.742 0.282 6.130 285 HD1 TYR 37 HD1 TYR 37 9.344 -2.329 5.551 286 HD2 TYR 37 HD2 TYR 37 13.120 -0.533 6.536 287 HE1 TYR 37 HE1 TYR 37 10.217 -4.544 6.242 288 HE2 TYR 37 HE2 TYR 37 13.993 -2.749 7.227 289 HH TYR 37 HH TYR 37 13.408 -5.229 6.619 290 H GLY 38 H GLY 38 9.435 -1.745 2.488 291 1HA GLY 38 1HA GLY 38 6.661 -1.594 3.530 292 2HA GLY 38 2HA GLY 38 6.901 -1.254 1.818 293 H TYR 39 H TYR 39 5.419 -3.491 3.050 294 HA TYR 39 HA TYR 39 6.486 -5.641 1.396 295 1HB TYR 39 1HB TYR 39 6.866 -7.155 3.391 296 2HB TYR 39 2HB TYR 39 8.018 -5.826 3.257 297 HD1 TYR 39 HD1 TYR 39 7.874 -3.871 4.756 298 HD2 TYR 39 HD2 TYR 39 5.209 -7.216 5.154 299 HE1 TYR 39 HE1 TYR 39 7.214 -3.078 7.011 300 HE2 TYR 39 HE2 TYR 39 4.552 -6.422 7.407 301 HH TYR 39 HH TYR 39 4.580 -4.570 8.781 302 H CYS 40 H CYS 40 5.112 -7.731 1.881 303 HA CYS 40 HA CYS 40 2.288 -6.898 1.981 304 1HB CYS 40 1HB CYS 40 3.214 -8.449 0.283 305 2HB CYS 40 2HB CYS 40 3.646 -9.582 1.563 306 H TYR 41 H TYR 41 1.209 -6.862 3.919 307 HA TYR 41 HA TYR 41 1.861 -8.977 5.939 308 1HB TYR 41 1HB TYR 41 2.708 -6.471 6.232 309 2HB TYR 41 2HB TYR 41 1.048 -6.210 6.766 310 HD1 TYR 41 HD1 TYR 41 1.315 -9.462 7.609 311 HD2 TYR 41 HD2 TYR 41 3.112 -5.717 8.709 312 HE1 TYR 41 HE1 TYR 41 1.900 -10.394 9.829 313 HE2 TYR 41 HE2 TYR 41 3.694 -6.652 10.930 314 HH TYR 41 HH TYR 41 2.689 -8.598 12.424 315 H GLY 42 H GLY 42 0.017 -10.116 6.409 316 1HA GLY 42 1HA GLY 42 -2.258 -10.581 6.779 317 2HA GLY 42 2HA GLY 42 -2.517 -8.841 6.930 318 H PHE 43 H PHE 43 -1.167 -10.551 4.135 319 HA PHE 43 HA PHE 43 -1.898 -10.616 1.891 320 1HB PHE 43 1HB PHE 43 -4.526 -10.526 3.405 321 2HB PHE 43 2HB PHE 43 -4.384 -10.921 1.692 322 HD1 PHE 43 HD1 PHE 43 -2.316 -12.701 1.275 323 HD2 PHE 43 HD2 PHE 43 -4.742 -12.365 4.803 324 HE1 PHE 43 HE1 PHE 43 -1.799 -15.057 1.854 325 HE2 PHE 43 HE2 PHE 43 -4.221 -14.719 5.385 326 HZ PHE 43 HZ PHE 43 -2.753 -16.066 3.910 327 H GLY 44 H GLY 44 -0.961 -8.226 2.092 328 1HA GLY 44 1HA GLY 44 -2.595 -6.518 0.522 329 2HA GLY 44 2HA GLY 44 -2.757 -6.011 2.203 330 H CYS 45 H CYS 45 -1.473 -4.604 -0.072 331 HA CYS 45 HA CYS 45 1.415 -4.663 0.403 332 1HB CYS 45 1HB CYS 45 -0.428 -2.740 -1.058 333 2HB CYS 45 2HB CYS 45 1.325 -2.764 -1.203 334 H TYR 46 H TYR 46 2.267 -3.722 2.242 335 HA TYR 46 HA TYR 46 0.875 -1.310 3.355 336 1HB TYR 46 1HB TYR 46 1.027 -3.675 4.532 337 2HB TYR 46 2HB TYR 46 2.655 -3.132 4.935 338 HD1 TYR 46 HD1 TYR 46 -0.629 -1.345 4.663 339 HD2 TYR 46 HD2 TYR 46 2.705 -2.397 7.160 340 HE1 TYR 46 HE1 TYR 46 -1.555 0.056 6.489 341 HE2 TYR 46 HE2 TYR 46 1.779 -0.996 8.986 342 HH TYR 46 HH TYR 46 -0.989 1.098 8.471 343 H CYS 47 H CYS 47 2.212 0.439 3.979 344 HA CYS 47 HA CYS 47 5.146 0.172 3.426 345 1HB CYS 47 1HB CYS 47 3.164 1.550 1.915 346 2HB CYS 47 2HB CYS 47 4.160 2.772 2.706 347 H GLU 48 H GLU 48 6.442 1.757 4.572 348 HA GLU 48 HA GLU 48 5.028 3.139 6.827 349 1HB GLU 48 1HB GLU 48 7.596 1.518 6.835 350 2HB GLU 48 2HB GLU 48 6.992 2.435 8.215 351 1HG GLU 48 1HG GLU 48 4.949 1.092 8.254 352 2HG GLU 48 2HG GLU 48 5.478 0.209 6.822 353 H GLY 49 H GLY 49 5.716 5.256 7.121 354 1HA GLY 49 1HA GLY 49 7.476 6.968 7.083 355 2HA GLY 49 2HA GLY 49 8.224 6.101 5.742 356 H LEU 50 H LEU 50 4.766 6.561 5.864 357 HA LEU 50 HA LEU 50 4.877 8.048 3.319 358 1HB LEU 50 1HB LEU 50 2.489 7.209 4.987 359 2HB LEU 50 2HB LEU 50 2.519 7.545 3.257 360 HG LEU 50 HG LEU 50 4.392 5.439 4.199 361 1HD1 LEU 50 1HD1 LEU 50 1.797 5.362 5.180 362 2HD1 LEU 50 2HD1 LEU 50 1.709 4.370 3.725 363 3HD1 LEU 50 3HD1 LEU 50 2.867 3.973 4.995 364 1HD2 LEU 50 1HD2 LEU 50 2.796 6.179 1.812 365 2HD2 LEU 50 2HD2 LEU 50 4.410 5.475 1.913 366 3HD2 LEU 50 3HD2 LEU 50 2.987 4.448 2.093 367 HA PRO 51 HA PRO 51 4.710 11.918 5.620 368 1HB PRO 51 1HB PRO 51 4.020 13.228 3.140 369 2HB PRO 51 2HB PRO 51 5.558 13.266 4.007 370 1HG PRO 51 1HG PRO 51 4.978 11.921 1.554 371 2HG PRO 51 2HG PRO 51 6.493 11.901 2.461 372 1HD PRO 51 1HD PRO 51 4.574 9.758 2.156 373 2HD PRO 51 2HD PRO 51 6.117 9.730 3.046 374 H ASP 52 H ASP 52 2.956 13.216 6.361 375 HA ASP 52 HA ASP 52 0.344 12.165 6.322 376 1HB ASP 52 1HB ASP 52 1.604 14.831 6.895 377 2HB ASP 52 2HB ASP 52 -0.153 14.681 6.944 378 H SER 53 H SER 53 1.879 14.447 4.094 379 HA SER 53 HA SER 53 -0.592 15.178 2.737 380 1HB SER 53 1HB SER 53 0.859 16.502 1.442 381 2HB SER 53 2HB SER 53 1.732 16.363 2.965 382 HG SER 53 HG SER 53 2.399 15.475 0.498 383 H THR 54 H THR 54 1.018 12.289 2.861 384 HA THR 54 HA THR 54 0.814 11.591 -0.006 385 HB THR 54 HB THR 54 1.565 10.022 2.485 386 HG1 THR 54 HG1 THR 54 2.830 11.940 1.451 387 1HG2 THR 54 1HG2 THR 54 0.775 8.876 0.211 388 2HG2 THR 54 2HG2 THR 54 2.430 9.256 -0.266 389 3HG2 THR 54 3HG2 THR 54 2.131 8.237 1.140 390 H GLN 55 H GLN 55 -0.857 10.371 -0.861 391 HA GLN 55 HA GLN 55 -3.277 9.990 0.741 392 1HB GLN 55 1HB GLN 55 -2.869 10.617 -1.792 393 2HB GLN 55 2HB GLN 55 -2.803 8.868 -2.006 394 1HG GLN 55 1HG GLN 55 -5.047 9.808 -0.338 395 2HG GLN 55 2HG GLN 55 -5.117 10.330 -2.022 396 1HE2 GLN 55 2HE2 GLN 55 -6.437 8.874 -3.126 397 2HE2 GLN 55 1HE2 GLN 55 -6.364 7.186 -2.970 398 H THR 56 H THR 56 -4.293 7.869 1.055 399 HA THR 56 HA THR 56 -2.867 5.407 0.439 400 HB THR 56 HB THR 56 -1.488 6.454 2.252 401 HG1 THR 56 HG1 THR 56 -1.687 4.170 2.034 402 1HG2 THR 56 1HG2 THR 56 -3.700 7.417 3.302 403 2HG2 THR 56 2HG2 THR 56 -3.729 5.876 4.159 404 3HG2 THR 56 3HG2 THR 56 -2.355 6.966 4.350 405 H TRP 57 H TRP 57 -3.951 3.521 1.631 406 HA TRP 57 HA TRP 57 -6.874 3.887 1.586 407 1HB TRP 57 1HB TRP 57 -5.210 1.974 0.726 408 2HB TRP 57 2HB TRP 57 -5.461 1.362 2.358 409 HD1 TRP 57 HD1 TRP 57 -7.818 2.837 -0.353 410 HE1 TRP 57 HE1 TRP 57 -9.892 1.312 -0.512 411 HE3 TRP 57 HE3 TRP 57 -6.602 -0.668 3.153 412 HZ2 TRP 57 HZ2 TRP 57 -10.898 -1.084 0.689 413 HZ3 TRP 57 HZ3 TRP 57 -8.131 -2.560 3.625 414 HH2 TRP 57 HH2 TRP 57 -10.276 -2.771 2.399 415 HA PRO 58 HA PRO 58 -8.565 2.864 2.299 416 1HB PRO 58 1HB PRO 58 -10.611 3.855 3.942 417 2HB PRO 58 2HB PRO 58 -10.169 2.156 3.748 418 1HG PRO 58 1HG PRO 58 -9.774 3.885 6.057 419 2HG PRO 58 2HG PRO 58 -9.555 2.137 5.931 420 1HD PRO 58 1HD PRO 58 -7.509 4.172 6.029 421 2HD PRO 58 2HD PRO 58 -7.289 2.410 5.892 422 H LEU 59 H LEU 59 -10.044 4.425 1.202 423 HA LEU 59 HA LEU 59 -8.897 7.086 0.977 424 1HB LEU 59 1HB LEU 59 -10.716 5.304 -0.375 425 2HB LEU 59 2HB LEU 59 -11.456 6.899 -0.240 426 HG LEU 59 HG LEU 59 -9.087 7.745 -1.013 427 1HD1 LEU 59 1HD1 LEU 59 -9.164 4.878 -2.000 428 2HD1 LEU 59 2HD1 LEU 59 -8.062 6.111 -2.612 429 3HD1 LEU 59 3HD1 LEU 59 -7.955 5.591 -0.931 430 1HD2 LEU 59 1HD2 LEU 59 -11.478 6.827 -2.436 431 2HD2 LEU 59 2HD2 LEU 59 -10.556 8.316 -2.642 432 3HD2 LEU 59 3HD2 LEU 59 -10.043 6.840 -3.460 433 HA PRO 60 HA PRO 60 -11.373 9.667 3.556 434 1HB PRO 60 1HB PRO 60 -13.075 10.736 1.440 435 2HB PRO 60 2HB PRO 60 -11.814 11.552 2.368 436 1HG PRO 60 1HG PRO 60 -11.665 10.740 -0.342 437 2HG PRO 60 2HG PRO 60 -10.344 11.363 0.651 438 1HD PRO 60 1HD PRO 60 -10.709 8.668 -0.331 439 2HD PRO 60 2HD PRO 60 -9.363 9.306 0.643 440 H ASN 61 H ASN 61 -14.016 10.396 3.584 441 HA ASN 61 HA ASN 61 -15.438 8.174 4.525 442 1HB ASN 61 1HB ASN 61 -15.843 10.814 4.429 443 2HB ASN 61 2HB ASN 61 -16.882 10.362 3.077 444 1HD2 ASN 61 2HD2 ASN 61 -18.994 10.254 3.850 445 2HD2 ASN 61 1HD2 ASN 61 -19.461 9.516 5.305 446 H LYS 62 H LYS 62 -15.031 9.330 1.232 447 HA LYS 62 HA LYS 62 -17.079 7.580 0.082 448 1HB LYS 62 1HB LYS 62 -14.743 8.912 -1.311 449 2HB LYS 62 2HB LYS 62 -16.338 8.552 -1.973 450 1HG LYS 62 1HG LYS 62 -17.121 10.116 0.041 451 2HG LYS 62 2HG LYS 62 -15.494 10.768 -0.153 452 1HD LYS 62 1HD LYS 62 -16.858 12.079 -1.598 453 2HD LYS 62 2HD LYS 62 -16.035 10.935 -2.661 454 1HE LYS 62 1HE LYS 62 -18.368 10.925 -3.302 455 2HE LYS 62 2HE LYS 62 -18.092 9.424 -2.395 456 1HZ LYS 62 1HZ LYS 62 -18.582 11.164 -0.421 457 2HZ LYS 62 2HZ LYS 62 -19.592 11.786 -1.636 458 3HZ LYS 62 3HZ LYS 62 -19.770 10.177 -1.121 459 H THR 63 H THR 63 -16.654 5.379 0.347 460 HA THR 63 HA THR 63 -13.908 4.344 0.197 461 HB THR 63 HB THR 63 -16.360 2.636 0.223 462 HG1 THR 63 HG1 THR 63 -15.609 4.517 2.180 463 1HG2 THR 63 1HG2 THR 63 -13.728 2.708 1.718 464 2HG2 THR 63 2HG2 THR 63 -15.011 1.549 2.064 465 3HG2 THR 63 3HG2 THR 63 -14.224 1.548 0.486 466 H CYS 64 H CYS 64 -13.462 2.460 -1.283 467 HA CYS 64 HA CYS 64 -13.953 3.125 -4.035 468 1HB CYS 64 1HB CYS 64 -12.017 1.863 -2.929 469 2HB CYS 64 2HB CYS 64 -13.085 0.462 -2.883 Start of MODEL 32 1 1H LYS 1 1H LYS 1 6.253 5.541 9.647 2 2H LYS 1 2H LYS 1 5.988 6.888 10.646 3 3H LYS 1 3H LYS 1 6.019 5.327 11.317 4 HA LYS 1 HA LYS 1 3.778 5.484 11.180 5 1HB LYS 1 1HB LYS 1 4.376 7.909 10.363 6 2HB LYS 1 2HB LYS 1 3.980 7.274 8.765 7 1HG LYS 1 1HG LYS 1 1.996 6.532 10.784 8 2HG LYS 1 2HG LYS 1 2.153 8.278 10.600 9 1HD LYS 1 1HD LYS 1 0.690 7.942 8.872 10 2HD LYS 1 2HD LYS 1 2.168 7.545 7.995 11 1HE LYS 1 1HE LYS 1 1.548 5.373 7.770 12 2HE LYS 1 2HE LYS 1 1.126 5.249 9.490 13 1HZ LYS 1 1HZ LYS 1 -0.527 6.679 7.478 14 2HZ LYS 1 2HZ LYS 1 -0.816 5.074 7.959 15 3HZ LYS 1 3HZ LYS 1 -0.942 6.332 9.090 16 H ASP 2 H ASP 2 3.175 3.467 10.455 17 HA ASP 2 HA ASP 2 3.782 2.662 7.656 18 1HB ASP 2 1HB ASP 2 2.449 1.039 9.834 19 2HB ASP 2 2HB ASP 2 3.404 0.455 8.470 20 H GLY 3 H GLY 3 2.031 1.806 6.299 21 1HA GLY 3 1HA GLY 3 -0.744 2.161 7.146 22 2HA GLY 3 2HA GLY 3 -0.217 3.357 5.964 23 H TYR 4 H TYR 4 -2.061 2.121 4.782 24 HA TYR 4 HA TYR 4 -0.909 -0.270 3.386 25 1HB TYR 4 1HB TYR 4 -3.617 0.517 4.374 26 2HB TYR 4 2HB TYR 4 -3.533 -0.479 2.919 27 HD1 TYR 4 HD1 TYR 4 -2.141 -2.624 2.995 28 HD2 TYR 4 HD2 TYR 4 -3.268 -0.433 6.513 29 HE1 TYR 4 HE1 TYR 4 -1.681 -4.625 4.387 30 HE2 TYR 4 HE2 TYR 4 -2.809 -2.434 7.906 31 HH TYR 4 HH TYR 4 -1.807 -4.473 7.914 32 H LEU 5 H LEU 5 -1.031 -0.317 1.115 33 HA LEU 5 HA LEU 5 -1.112 2.266 -0.229 34 1HB LEU 5 1HB LEU 5 -0.386 -0.540 -0.747 35 2HB LEU 5 2HB LEU 5 -1.057 0.279 -2.157 36 HG LEU 5 HG LEU 5 1.317 1.157 -0.491 37 1HD1 LEU 5 1HD1 LEU 5 0.982 -0.397 -2.889 38 2HD1 LEU 5 2HD1 LEU 5 1.816 1.108 -3.285 39 3HD1 LEU 5 3HD1 LEU 5 2.477 0.030 -2.055 40 1HD2 LEU 5 1HD2 LEU 5 -0.380 2.606 -2.507 41 2HD2 LEU 5 2HD2 LEU 5 0.322 3.210 -1.006 42 3HD2 LEU 5 3HD2 LEU 5 1.346 2.954 -2.418 43 H VAL 6 H VAL 6 -2.556 2.690 -2.099 44 HA VAL 6 HA VAL 6 -5.228 1.339 -1.840 45 HB VAL 6 HB VAL 6 -6.220 3.521 -2.172 46 1HG1 VAL 6 1HG1 VAL 6 -3.913 3.539 -0.215 47 2HG1 VAL 6 2HG1 VAL 6 -5.114 4.828 -0.287 48 3HG1 VAL 6 3HG1 VAL 6 -5.608 3.185 0.118 49 1HG2 VAL 6 1HG2 VAL 6 -3.517 4.113 -3.187 50 2HG2 VAL 6 2HG2 VAL 6 -5.066 4.834 -3.626 51 3HG2 VAL 6 3HG2 VAL 6 -4.206 5.395 -2.191 52 H GLU 7 H GLU 7 -6.461 2.492 -4.000 53 HA GLU 7 HA GLU 7 -4.802 1.536 -6.308 54 1HB GLU 7 1HB GLU 7 -7.370 0.859 -5.318 55 2HB GLU 7 2HB GLU 7 -7.644 1.757 -6.811 56 1HG GLU 7 1HG GLU 7 -5.699 0.219 -7.724 57 2HG GLU 7 2HG GLU 7 -6.196 -0.832 -6.399 58 H LYS 8 H LYS 8 -5.132 2.761 -8.354 59 HA LYS 8 HA LYS 8 -4.783 5.518 -8.204 60 1HB LYS 8 1HB LYS 8 -5.207 3.522 -10.165 61 2HB LYS 8 2HB LYS 8 -6.343 4.821 -10.535 62 1HG LYS 8 1HG LYS 8 -3.367 5.178 -10.070 63 2HG LYS 8 2HG LYS 8 -4.163 5.195 -11.643 64 1HD LYS 8 1HD LYS 8 -4.684 7.367 -11.388 65 2HD LYS 8 2HD LYS 8 -5.539 7.006 -9.888 66 1HE LYS 8 1HE LYS 8 -3.148 6.918 -8.825 67 2HE LYS 8 2HE LYS 8 -2.668 7.842 -10.264 68 1HZ LYS 8 1HZ LYS 8 -5.106 8.608 -8.813 69 2HZ LYS 8 2HZ LYS 8 -3.600 9.080 -8.184 70 3HZ LYS 8 3HZ LYS 8 -4.064 9.570 -9.743 71 H THR 9 H THR 9 -7.808 3.720 -8.066 72 HA THR 9 HA THR 9 -9.416 6.215 -8.197 73 HB THR 9 HB THR 9 -11.263 4.417 -8.044 74 HG1 THR 9 HG1 THR 9 -10.534 2.325 -8.438 75 1HG2 THR 9 1HG2 THR 9 -9.378 5.017 -10.212 76 2HG2 THR 9 2HG2 THR 9 -10.226 3.486 -10.420 77 3HG2 THR 9 3HG2 THR 9 -11.140 4.982 -10.233 78 H GLY 10 H GLY 10 -7.789 4.463 -5.853 79 1HA GLY 10 1HA GLY 10 -7.861 5.189 -3.519 80 2HA GLY 10 2HA GLY 10 -9.577 5.538 -3.719 81 H CYS 11 H CYS 11 -9.455 2.787 -5.318 82 HA CYS 11 HA CYS 11 -10.699 1.157 -3.371 83 1HB CYS 11 1HB CYS 11 -9.209 0.714 -5.947 84 2HB CYS 11 2HB CYS 11 -9.749 -0.681 -5.014 85 H LYS 12 H LYS 12 -9.350 -1.229 -3.163 86 HA LYS 12 HA LYS 12 -6.995 -0.450 -1.504 87 1HB LYS 12 1HB LYS 12 -7.452 -2.834 -0.583 88 2HB LYS 12 2HB LYS 12 -8.573 -1.555 -0.157 89 1HG LYS 12 1HG LYS 12 -9.769 -3.607 -0.824 90 2HG LYS 12 2HG LYS 12 -10.102 -2.304 -1.957 91 1HD LYS 12 1HD LYS 12 -8.943 -3.317 -3.664 92 2HD LYS 12 2HD LYS 12 -7.756 -4.026 -2.570 93 1HE LYS 12 1HE LYS 12 -9.083 -5.854 -3.439 94 2HE LYS 12 2HE LYS 12 -9.625 -5.590 -1.769 95 1HZ LYS 12 1HZ LYS 12 -10.863 -4.062 -3.955 96 2HZ LYS 12 2HZ LYS 12 -11.366 -5.660 -3.674 97 3HZ LYS 12 3HZ LYS 12 -11.511 -4.494 -2.448 98 H LYS 13 H LYS 13 -5.296 -2.251 -1.410 99 HA LYS 13 HA LYS 13 -4.900 -3.476 -4.122 100 1HB LYS 13 1HB LYS 13 -3.580 -1.299 -3.130 101 2HB LYS 13 2HB LYS 13 -2.532 -2.602 -2.567 102 1HG LYS 13 1HG LYS 13 -3.357 -3.065 -5.308 103 2HG LYS 13 2HG LYS 13 -2.586 -1.487 -5.145 104 1HD LYS 13 1HD LYS 13 -0.557 -2.422 -4.864 105 2HD LYS 13 2HD LYS 13 -1.169 -3.505 -3.615 106 1HE LYS 13 1HE LYS 13 -1.093 -5.236 -5.069 107 2HE LYS 13 2HE LYS 13 -2.194 -4.372 -6.161 108 1HZ LYS 13 1HZ LYS 13 -0.203 -3.011 -6.822 109 2HZ LYS 13 2HZ LYS 13 0.760 -4.149 -6.008 110 3HZ LYS 13 3HZ LYS 13 -0.180 -4.624 -7.342 111 H THR 14 H THR 14 -6.026 -5.069 -2.298 112 HA THR 14 HA THR 14 -4.479 -6.334 -0.315 113 HB THR 14 HB THR 14 -6.432 -7.697 -2.180 114 HG1 THR 14 HG1 THR 14 -7.121 -6.177 0.091 115 1HG2 THR 14 1HG2 THR 14 -5.113 -8.450 0.207 116 2HG2 THR 14 2HG2 THR 14 -6.798 -8.149 0.638 117 3HG2 THR 14 3HG2 THR 14 -6.404 -9.315 -0.625 118 H CYS 15 H CYS 15 -3.185 -8.236 -0.345 119 HA CYS 15 HA CYS 15 -2.247 -9.185 -3.026 120 1HB CYS 15 1HB CYS 15 0.070 -9.162 -1.942 121 2HB CYS 15 2HB CYS 15 -0.626 -7.575 -2.271 122 H TYR 16 H TYR 16 -1.677 -11.424 -3.027 123 HA TYR 16 HA TYR 16 -2.588 -12.925 -0.618 124 1HB TYR 16 1HB TYR 16 -2.384 -13.375 -3.562 125 2HB TYR 16 2HB TYR 16 -2.273 -14.791 -2.519 126 HD1 TYR 16 HD1 TYR 16 -4.142 -11.997 -1.172 127 HD2 TYR 16 HD2 TYR 16 -4.452 -15.523 -3.608 128 HE1 TYR 16 HE1 TYR 16 -6.604 -11.980 -0.884 129 HE2 TYR 16 HE2 TYR 16 -6.915 -15.502 -3.320 130 HH TYR 16 HH TYR 16 -8.479 -13.493 -1.013 131 H LYS 17 H LYS 17 0.287 -12.256 -2.513 132 HA LYS 17 HA LYS 17 1.834 -14.510 -1.484 133 1HB LYS 17 1HB LYS 17 2.453 -11.931 -2.950 134 2HB LYS 17 2HB LYS 17 3.699 -13.110 -2.539 135 1HG LYS 17 1HG LYS 17 1.555 -14.562 -3.697 136 2HG LYS 17 2HG LYS 17 1.837 -13.163 -4.731 137 1HD LYS 17 1HD LYS 17 3.393 -14.640 -5.612 138 2HD LYS 17 2HD LYS 17 4.380 -13.840 -4.387 139 1HE LYS 17 1HE LYS 17 4.746 -16.185 -4.053 140 2HE LYS 17 2HE LYS 17 3.591 -15.722 -2.789 141 1HZ LYS 17 1HZ LYS 17 2.206 -16.259 -5.190 142 2HZ LYS 17 2HZ LYS 17 3.206 -17.582 -4.823 143 3HZ LYS 17 3HZ LYS 17 2.068 -17.043 -3.688 144 H LEU 18 H LEU 18 1.351 -14.107 0.862 145 HA LEU 18 HA LEU 18 2.155 -11.726 2.243 146 1HB LEU 18 1HB LEU 18 1.760 -14.628 3.009 147 2HB LEU 18 2HB LEU 18 2.138 -13.386 4.204 148 HG LEU 18 HG LEU 18 -0.181 -13.167 2.271 149 1HD1 LEU 18 1HD1 LEU 18 0.068 -14.517 4.928 150 2HD1 LEU 18 2HD1 LEU 18 -1.410 -13.614 4.594 151 3HD1 LEU 18 3HD1 LEU 18 -0.934 -14.947 3.542 152 1HD2 LEU 18 1HD2 LEU 18 1.017 -11.500 4.383 153 2HD2 LEU 18 2HD2 LEU 18 -0.044 -11.037 3.054 154 3HD2 LEU 18 3HD2 LEU 18 -0.729 -11.700 4.537 155 H GLY 19 H GLY 19 4.101 -11.313 3.438 156 1HA GLY 19 1HA GLY 19 6.321 -12.057 4.232 157 2HA GLY 19 2HA GLY 19 6.387 -13.139 2.847 158 H GLU 20 H GLU 20 8.452 -12.115 2.383 159 HA GLU 20 HA GLU 20 8.809 -9.346 1.804 160 1HB GLU 20 1HB GLU 20 10.603 -11.005 2.133 161 2HB GLU 20 2HB GLU 20 10.126 -11.825 0.646 162 1HG GLU 20 1HG GLU 20 10.440 -9.105 -0.042 163 2HG GLU 20 2HG GLU 20 11.824 -9.507 0.977 164 H ASN 21 H ASN 21 6.549 -9.192 0.671 165 HA ASN 21 HA ASN 21 6.477 -10.132 -2.121 166 1HB ASN 21 1HB ASN 21 4.525 -10.060 -0.526 167 2HB ASN 21 2HB ASN 21 4.619 -8.300 -0.567 168 1HD2 ASN 21 2HD2 ASN 21 2.423 -10.104 -1.599 169 2HD2 ASN 21 1HD2 ASN 21 2.258 -9.705 -3.241 170 H ASP 22 H ASP 22 8.430 -8.875 -2.800 171 HA ASP 22 HA ASP 22 8.838 -6.118 -2.621 172 1HB ASP 22 1HB ASP 22 9.720 -8.351 -4.180 173 2HB ASP 22 2HB ASP 22 9.469 -6.989 -5.272 174 H PHE 23 H PHE 23 6.587 -7.852 -4.750 175 HA PHE 23 HA PHE 23 5.870 -5.993 -6.659 176 1HB PHE 23 1HB PHE 23 4.778 -8.270 -5.411 177 2HB PHE 23 2HB PHE 23 3.506 -7.050 -5.349 178 HD1 PHE 23 HD1 PHE 23 4.291 -5.500 -7.844 179 HD2 PHE 23 HD2 PHE 23 3.909 -9.712 -7.093 180 HE1 PHE 23 HE1 PHE 23 3.826 -5.888 -10.249 181 HE2 PHE 23 HE2 PHE 23 3.449 -10.100 -9.497 182 HZ PHE 23 HZ PHE 23 3.407 -8.189 -11.077 183 H CYS 24 H CYS 24 4.353 -6.094 -3.394 184 HA CYS 24 HA CYS 24 2.953 -3.627 -3.595 185 1HB CYS 24 1HB CYS 24 4.155 -5.208 -1.307 186 2HB CYS 24 2HB CYS 24 3.182 -3.769 -1.033 187 H ASN 25 H ASN 25 6.114 -4.293 -2.052 188 HA ASN 25 HA ASN 25 6.878 -1.709 -1.321 189 1HB ASN 25 1HB ASN 25 8.013 -4.041 -1.097 190 2HB ASN 25 2HB ASN 25 8.754 -3.666 -2.654 191 1HD2 ASN 25 2HD2 ASN 25 10.740 -3.812 -1.024 192 2HD2 ASN 25 1HD2 ASN 25 11.216 -2.338 -0.333 193 H ARG 26 H ARG 26 7.097 -3.241 -4.528 194 HA ARG 26 HA ARG 26 8.565 -1.223 -5.886 195 1HB ARG 26 1HB ARG 26 7.241 -3.632 -6.432 196 2HB ARG 26 2HB ARG 26 6.441 -2.446 -7.466 197 1HG ARG 26 1HG ARG 26 9.359 -2.141 -7.415 198 2HG ARG 26 2HG ARG 26 8.838 -3.706 -8.038 199 1HD ARG 26 1HD ARG 26 7.131 -2.288 -9.448 200 2HD ARG 26 2HD ARG 26 8.261 -0.959 -9.127 201 HE ARG 26 HE ARG 26 9.877 -3.109 -9.885 202 1HH1 ARG 26 1HH1 ARG 26 7.217 -1.346 -11.209 203 2HH1 ARG 26 2HH1 ARG 26 7.705 -1.593 -12.852 204 1HH2 ARG 26 1HH2 ARG 26 10.526 -3.431 -12.023 205 2HH2 ARG 26 2HH2 ARG 26 9.576 -2.771 -13.312 206 H GLU 27 H GLU 27 5.002 -1.635 -5.667 207 HA GLU 27 HA GLU 27 4.420 0.889 -6.963 208 1HB GLU 27 1HB GLU 27 2.858 -1.027 -5.206 209 2HB GLU 27 2HB GLU 27 2.127 0.362 -6.007 210 1HG GLU 27 1HG GLU 27 3.298 -0.646 -8.149 211 2HG GLU 27 2HG GLU 27 3.250 -2.140 -7.212 212 H CYS 28 H CYS 28 4.430 -0.180 -3.553 213 HA CYS 28 HA CYS 28 3.526 2.109 -2.250 214 1HB CYS 28 1HB CYS 28 4.173 -0.059 -1.230 215 2HB CYS 28 2HB CYS 28 5.870 0.328 -1.514 216 H LYS 29 H LYS 29 6.780 1.527 -3.590 217 HA LYS 29 HA LYS 29 7.503 4.345 -2.872 218 1HB LYS 29 1HB LYS 29 8.915 2.582 -1.929 219 2HB LYS 29 2HB LYS 29 9.169 1.897 -3.535 220 1HG LYS 29 1HG LYS 29 10.547 3.645 -4.212 221 2HG LYS 29 2HG LYS 29 9.843 4.780 -3.059 222 1HD LYS 29 1HD LYS 29 12.047 4.217 -2.258 223 2HD LYS 29 2HD LYS 29 10.882 3.412 -1.207 224 1HE LYS 29 1HE LYS 29 11.831 1.898 -3.608 225 2HE LYS 29 2HE LYS 29 12.951 2.067 -2.240 226 1HZ LYS 29 1HZ LYS 29 10.988 1.448 -0.799 227 2HZ LYS 29 2HZ LYS 29 10.205 0.954 -2.225 228 3HZ LYS 29 3HZ LYS 29 11.640 0.193 -1.740 229 H TRP 30 H TRP 30 6.186 2.844 -5.439 230 HA TRP 30 HA TRP 30 7.727 3.149 -7.723 231 1HB TRP 30 1HB TRP 30 5.021 2.928 -7.037 232 2HB TRP 30 2HB TRP 30 5.100 4.403 -7.999 233 HD1 TRP 30 HD1 TRP 30 4.048 1.272 -8.751 234 HE1 TRP 30 HE1 TRP 30 4.839 0.351 -11.025 235 HE3 TRP 30 HE3 TRP 30 7.999 4.385 -9.651 236 HZ2 TRP 30 HZ2 TRP 30 6.872 0.865 -12.967 237 HZ3 TRP 30 HZ3 TRP 30 9.342 4.148 -11.716 238 HH2 TRP 30 HH2 TRP 30 8.784 2.393 -13.376 239 H LYS 31 H LYS 31 5.822 5.779 -6.195 240 HA LYS 31 HA LYS 31 7.308 7.802 -7.771 241 1HB LYS 31 1HB LYS 31 4.783 7.527 -6.313 242 2HB LYS 31 2HB LYS 31 5.586 9.064 -5.986 243 1HG LYS 31 1HG LYS 31 5.564 8.225 -8.828 244 2HG LYS 31 2HG LYS 31 3.991 8.644 -8.148 245 1HD LYS 31 1HD LYS 31 5.944 10.567 -7.271 246 2HD LYS 31 2HD LYS 31 6.017 10.422 -9.027 247 1HE LYS 31 1HE LYS 31 3.899 11.280 -9.318 248 2HE LYS 31 2HE LYS 31 3.291 10.554 -7.817 249 1HZ LYS 31 1HZ LYS 31 4.664 12.124 -6.567 250 2HZ LYS 31 2HZ LYS 31 5.165 12.853 -8.014 251 3HZ LYS 31 3HZ LYS 31 3.534 12.934 -7.544 252 H HIS 32 H HIS 32 8.547 9.480 -6.724 253 HA HIS 32 HA HIS 32 10.224 8.686 -4.575 254 1HB HIS 32 1HB HIS 32 10.204 10.641 -6.423 255 2HB HIS 32 2HB HIS 32 9.640 11.576 -5.039 256 HD1 HIS 32 HD1 HIS 32 11.347 9.791 -2.953 257 HD2 HIS 32 HD2 HIS 32 12.819 11.784 -6.306 258 HE1 HIS 32 HE1 HIS 32 13.817 10.163 -2.538 259 H ILE 33 H ILE 33 8.944 7.970 -2.779 260 HA ILE 33 HA ILE 33 7.343 10.110 -1.420 261 HB ILE 33 HB ILE 33 7.127 7.087 -1.368 262 1HG1 ILE 33 1HG1 ILE 33 4.886 8.777 -2.288 263 2HG1 ILE 33 2HG1 ILE 33 6.308 8.810 -3.332 264 1HG2 ILE 33 1HG2 ILE 33 5.783 9.286 0.169 265 2HG2 ILE 33 2HG2 ILE 33 4.857 7.844 -0.251 266 3HG2 ILE 33 3HG2 ILE 33 6.317 7.700 0.728 267 1HD1 ILE 33 1HD1 ILE 33 5.758 6.109 -2.452 268 2HD1 ILE 33 2HD1 ILE 33 4.338 6.810 -3.232 269 3HD1 ILE 33 3HD1 ILE 33 5.874 6.741 -4.095 270 H GLY 34 H GLY 34 9.807 7.612 -1.055 271 1HA GLY 34 1HA GLY 34 11.603 7.795 0.557 272 2HA GLY 34 2HA GLY 34 10.571 8.829 1.543 273 H GLY 35 H GLY 35 9.714 5.713 0.098 274 1HA GLY 35 1HA GLY 35 8.795 4.772 2.728 275 2HA GLY 35 2HA GLY 35 8.591 3.923 1.195 276 H SER 36 H SER 36 10.085 3.636 4.075 277 HA SER 36 HA SER 36 12.767 2.836 3.366 278 1HB SER 36 1HB SER 36 12.801 2.065 5.660 279 2HB SER 36 2HB SER 36 11.842 3.542 5.616 280 HG SER 36 HG SER 36 10.400 2.311 6.538 281 H TYR 37 H TYR 37 9.763 0.975 3.986 282 HA TYR 37 HA TYR 37 10.505 -1.085 2.068 283 1HB TYR 37 1HB TYR 37 11.695 -1.199 4.592 284 2HB TYR 37 2HB TYR 37 10.360 -2.346 4.698 285 HD1 TYR 37 HD1 TYR 37 10.089 -3.618 2.198 286 HD2 TYR 37 HD2 TYR 37 13.705 -2.238 4.062 287 HE1 TYR 37 HE1 TYR 37 11.396 -5.261 0.878 288 HE2 TYR 37 HE2 TYR 37 15.013 -3.883 2.745 289 HH TYR 37 HH TYR 37 13.807 -6.471 1.317 290 H GLY 38 H GLY 38 8.710 -2.416 1.621 291 1HA GLY 38 1HA GLY 38 6.398 -2.349 3.474 292 2HA GLY 38 2HA GLY 38 6.137 -1.742 1.838 293 H TYR 39 H TYR 39 5.160 -4.241 3.331 294 HA TYR 39 HA TYR 39 5.757 -6.132 1.096 295 1HB TYR 39 1HB TYR 39 5.899 -7.895 3.014 296 2HB TYR 39 2HB TYR 39 7.294 -6.853 2.740 297 HD1 TYR 39 HD1 TYR 39 4.010 -6.575 4.560 298 HD2 TYR 39 HD2 TYR 39 8.270 -6.037 4.677 299 HE1 TYR 39 HE1 TYR 39 3.838 -5.698 6.875 300 HE2 TYR 39 HE2 TYR 39 8.095 -5.165 6.994 301 HH TYR 39 HH TYR 39 4.954 -4.592 8.505 302 H CYS 40 H CYS 40 4.281 -8.220 1.616 303 HA CYS 40 HA CYS 40 1.518 -7.210 1.749 304 1HB CYS 40 1HB CYS 40 2.404 -8.861 0.068 305 2HB CYS 40 2HB CYS 40 2.628 -10.014 1.385 306 H TYR 41 H TYR 41 0.991 -6.772 3.917 307 HA TYR 41 HA TYR 41 1.350 -9.022 5.873 308 1HB TYR 41 1HB TYR 41 2.654 -7.033 6.407 309 2HB TYR 41 2HB TYR 41 1.231 -6.008 6.219 310 HD1 TYR 41 HD1 TYR 41 1.148 -9.363 7.772 311 HD2 TYR 41 HD2 TYR 41 1.216 -5.126 8.479 312 HE1 TYR 41 HE1 TYR 41 0.557 -9.750 10.149 313 HE2 TYR 41 HE2 TYR 41 0.624 -5.513 10.856 314 HH TYR 41 HH TYR 41 1.029 -7.830 12.497 315 H GLY 42 H GLY 42 -0.597 -10.018 6.232 316 1HA GLY 42 1HA GLY 42 -2.878 -10.240 6.787 317 2HA GLY 42 2HA GLY 42 -2.935 -8.491 7.015 318 H PHE 43 H PHE 43 -1.893 -10.139 4.072 319 HA PHE 43 HA PHE 43 -2.749 -10.032 1.878 320 1HB PHE 43 1HB PHE 43 -5.321 -9.722 3.466 321 2HB PHE 43 2HB PHE 43 -5.213 -10.211 1.774 322 HD1 PHE 43 HD1 PHE 43 -4.517 -11.215 5.261 323 HD2 PHE 43 HD2 PHE 43 -4.426 -12.420 1.138 324 HE1 PHE 43 HE1 PHE 43 -4.145 -13.567 5.955 325 HE2 PHE 43 HE2 PHE 43 -4.058 -14.771 1.833 326 HZ PHE 43 HZ PHE 43 -3.917 -15.346 4.241 327 H GLY 44 H GLY 44 -1.563 -7.759 2.395 328 1HA GLY 44 1HA GLY 44 -2.912 -5.755 0.889 329 2HA GLY 44 2HA GLY 44 -3.082 -5.366 2.604 330 H CYS 45 H CYS 45 -1.371 -4.222 0.269 331 HA CYS 45 HA CYS 45 1.389 -4.703 0.952 332 1HB CYS 45 1HB CYS 45 0.050 -2.328 -0.376 333 2HB CYS 45 2HB CYS 45 1.746 -2.773 -0.520 334 H TYR 46 H TYR 46 1.908 -4.302 3.126 335 HA TYR 46 HA TYR 46 1.014 -1.755 4.376 336 1HB TYR 46 1HB TYR 46 1.056 -4.217 5.344 337 2HB TYR 46 2HB TYR 46 2.750 -3.842 5.665 338 HD1 TYR 46 HD1 TYR 46 -0.360 -1.748 5.790 339 HD2 TYR 46 HD2 TYR 46 2.998 -3.349 7.937 340 HE1 TYR 46 HE1 TYR 46 -1.029 -0.455 7.798 341 HE2 TYR 46 HE2 TYR 46 2.330 -2.056 9.945 342 HH TYR 46 HH TYR 46 1.026 -0.053 10.489 343 H CYS 47 H CYS 47 2.417 -0.025 4.527 344 HA CYS 47 HA CYS 47 5.298 -0.515 3.833 345 1HB CYS 47 1HB CYS 47 3.438 1.845 3.445 346 2HB CYS 47 2HB CYS 47 5.161 1.890 3.076 347 H GLU 48 H GLU 48 6.835 1.006 4.924 348 HA GLU 48 HA GLU 48 5.823 1.950 7.585 349 1HB GLU 48 1HB GLU 48 8.367 0.445 6.890 350 2HB GLU 48 2HB GLU 48 7.995 1.092 8.490 351 1HG GLU 48 1HG GLU 48 6.493 -0.557 8.944 352 2HG GLU 48 2HG GLU 48 5.853 -0.558 7.301 353 H GLY 49 H GLY 49 6.161 4.125 7.725 354 1HA GLY 49 1HA GLY 49 7.837 5.940 7.885 355 2HA GLY 49 2HA GLY 49 8.629 5.251 6.467 356 H LEU 50 H LEU 50 5.259 5.115 6.204 357 HA LEU 50 HA LEU 50 5.103 6.797 3.918 358 1HB LEU 50 1HB LEU 50 3.117 5.734 5.933 359 2HB LEU 50 2HB LEU 50 2.600 6.667 4.529 360 HG LEU 50 HG LEU 50 4.085 4.028 4.538 361 1HD1 LEU 50 1HD1 LEU 50 1.514 4.222 4.778 362 2HD1 LEU 50 2HD1 LEU 50 1.534 4.759 3.099 363 3HD1 LEU 50 3HD1 LEU 50 2.136 3.157 3.519 364 1HD2 LEU 50 1HD2 LEU 50 3.850 6.158 2.465 365 2HD2 LEU 50 2HD2 LEU 50 5.126 4.966 2.712 366 3HD2 LEU 50 3HD2 LEU 50 3.619 4.496 1.925 367 HA PRO 51 HA PRO 51 5.425 10.671 6.272 368 1HB PRO 51 1HB PRO 51 5.076 12.035 3.755 369 2HB PRO 51 2HB PRO 51 6.552 11.871 4.710 370 1HG PRO 51 1HG PRO 51 5.940 10.600 2.224 371 2HG PRO 51 2HG PRO 51 7.382 10.383 3.220 372 1HD PRO 51 1HD PRO 51 5.203 8.521 2.804 373 2HD PRO 51 2HD PRO 51 6.683 8.281 3.763 374 H ASP 52 H ASP 52 3.897 12.590 6.427 375 HA ASP 52 HA ASP 52 1.135 11.727 6.397 376 1HB ASP 52 1HB ASP 52 2.695 13.641 7.640 377 2HB ASP 52 2HB ASP 52 1.684 14.610 6.565 378 H SER 53 H SER 53 3.166 13.159 4.006 379 HA SER 53 HA SER 53 1.015 14.508 2.529 380 1HB SER 53 1HB SER 53 3.940 13.891 2.111 381 2HB SER 53 2HB SER 53 2.975 14.617 0.830 382 HG SER 53 HG SER 53 3.912 15.687 3.188 383 H THR 54 H THR 54 2.270 11.299 2.734 384 HA THR 54 HA THR 54 1.496 10.523 0.003 385 HB THR 54 HB THR 54 2.404 8.961 2.440 386 HG1 THR 54 HG1 THR 54 4.200 9.899 1.920 387 1HG2 THR 54 1HG2 THR 54 1.227 8.008 0.105 388 2HG2 THR 54 2HG2 THR 54 2.956 7.841 -0.197 389 3HG2 THR 54 3HG2 THR 54 2.230 7.075 1.217 390 H GLN 55 H GLN 55 -0.432 9.554 -0.554 391 HA GLN 55 HA GLN 55 -2.537 9.339 1.523 392 1HB GLN 55 1HB GLN 55 -2.821 10.510 -0.690 393 2HB GLN 55 2HB GLN 55 -2.637 8.946 -1.484 394 1HG GLN 55 1HG GLN 55 -5.014 9.447 -1.215 395 2HG GLN 55 2HG GLN 55 -4.575 8.088 -0.180 396 1HE2 GLN 55 2HE2 GLN 55 -6.489 8.722 1.185 397 2HE2 GLN 55 1HE2 GLN 55 -6.329 10.002 2.288 398 H THR 56 H THR 56 -3.461 7.352 2.126 399 HA THR 56 HA THR 56 -2.690 4.897 0.644 400 HB THR 56 HB THR 56 -2.256 4.245 3.318 401 HG1 THR 56 HG1 THR 56 -1.635 5.990 4.263 402 1HG2 THR 56 1HG2 THR 56 -0.957 4.032 0.919 403 2HG2 THR 56 2HG2 THR 56 0.116 5.115 1.804 404 3HG2 THR 56 3HG2 THR 56 -0.277 3.529 2.467 405 H TRP 57 H TRP 57 -3.681 2.949 2.080 406 HA TRP 57 HA TRP 57 -6.569 3.553 2.374 407 1HB TRP 57 1HB TRP 57 -5.066 1.593 1.187 408 2HB TRP 57 2HB TRP 57 -5.435 0.840 2.732 409 HD1 TRP 57 HD1 TRP 57 -7.443 2.837 0.073 410 HE1 TRP 57 HE1 TRP 57 -9.724 1.677 -0.232 411 HE3 TRP 57 HE3 TRP 57 -6.958 -0.967 3.449 412 HZ2 TRP 57 HZ2 TRP 57 -11.155 -0.570 0.816 413 HZ3 TRP 57 HZ3 TRP 57 -8.793 -2.600 3.774 414 HH2 TRP 57 HH2 TRP 57 -10.889 -2.407 2.463 415 HA PRO 58 HA PRO 58 -8.216 2.424 3.198 416 1HB PRO 58 1HB PRO 58 -9.968 3.249 5.243 417 2HB PRO 58 2HB PRO 58 -9.642 1.583 4.755 418 1HG PRO 58 1HG PRO 58 -8.860 2.930 7.202 419 2HG PRO 58 2HG PRO 58 -8.682 1.225 6.777 420 1HD PRO 58 1HD PRO 58 -6.629 3.264 6.871 421 2HD PRO 58 2HD PRO 58 -6.444 1.533 6.488 422 H LEU 59 H LEU 59 -9.829 4.147 2.541 423 HA LEU 59 HA LEU 59 -8.618 6.836 2.784 424 1HB LEU 59 1HB LEU 59 -9.636 7.187 0.731 425 2HB LEU 59 2HB LEU 59 -9.527 5.437 0.698 426 HG LEU 59 HG LEU 59 -11.974 6.818 1.806 427 1HD1 LEU 59 1HD1 LEU 59 -11.347 6.092 -1.066 428 2HD1 LEU 59 2HD1 LEU 59 -12.969 6.445 -0.474 429 3HD1 LEU 59 3HD1 LEU 59 -11.725 7.695 -0.435 430 1HD2 LEU 59 1HD2 LEU 59 -11.438 4.095 0.570 431 2HD2 LEU 59 2HD2 LEU 59 -11.672 4.420 2.288 432 3HD2 LEU 59 3HD2 LEU 59 -13.005 4.652 1.158 433 HA PRO 60 HA PRO 60 -11.526 8.784 5.450 434 1HB PRO 60 1HB PRO 60 -12.876 10.351 3.396 435 2HB PRO 60 2HB PRO 60 -11.776 10.898 4.666 436 1HG PRO 60 1HG PRO 60 -11.212 10.699 1.890 437 2HG PRO 60 2HG PRO 60 -10.070 11.072 3.184 438 1HD PRO 60 1HD PRO 60 -10.232 8.664 1.595 439 2HD PRO 60 2HD PRO 60 -9.064 9.047 2.883 440 H ASN 61 H ASN 61 -14.105 9.428 5.443 441 HA ASN 61 HA ASN 61 -15.600 7.058 5.429 442 1HB ASN 61 1HB ASN 61 -16.462 8.972 6.535 443 2HB ASN 61 2HB ASN 61 -16.285 9.985 5.102 444 1HD2 ASN 61 2HD2 ASN 61 -17.625 6.724 4.842 445 2HD2 ASN 61 1HD2 ASN 61 -19.218 7.211 4.512 446 H LYS 62 H LYS 62 -14.806 9.215 2.785 447 HA LYS 62 HA LYS 62 -16.734 8.327 0.862 448 1HB LYS 62 1HB LYS 62 -14.772 10.208 1.013 449 2HB LYS 62 2HB LYS 62 -13.980 9.019 -0.021 450 1HG LYS 62 1HG LYS 62 -15.138 10.462 -1.515 451 2HG LYS 62 2HG LYS 62 -16.142 9.017 -1.404 452 1HD LYS 62 1HD LYS 62 -16.708 11.081 0.631 453 2HD LYS 62 2HD LYS 62 -17.078 11.553 -1.027 454 1HE LYS 62 1HE LYS 62 -18.900 10.206 -1.078 455 2HE LYS 62 2HE LYS 62 -17.958 8.823 -0.491 456 1HZ LYS 62 1HZ LYS 62 -18.095 10.535 1.647 457 2HZ LYS 62 2HZ LYS 62 -19.651 10.601 0.973 458 3HZ LYS 62 3HZ LYS 62 -18.992 9.110 1.448 459 H THR 63 H THR 63 -16.487 6.692 -0.798 460 HA THR 63 HA THR 63 -14.492 4.571 -0.104 461 HB THR 63 HB THR 63 -17.052 4.245 -1.668 462 HG1 THR 63 HG1 THR 63 -17.586 5.217 0.293 463 1HG2 THR 63 1HG2 THR 63 -15.375 2.404 -1.618 464 2HG2 THR 63 2HG2 THR 63 -15.513 2.369 0.139 465 3HG2 THR 63 3HG2 THR 63 -16.905 1.957 -0.862 466 H CYS 64 H CYS 64 -13.659 3.340 -1.992 467 HA CYS 64 HA CYS 64 -12.630 4.990 -4.077 468 1HB CYS 64 1HB CYS 64 -11.526 2.963 -3.442 469 2HB CYS 64 2HB CYS 64 -12.986 2.007 -3.700 Start of MODEL 33 1 1H LYS 1 1H LYS 1 4.657 7.889 6.895 2 2H LYS 1 2H LYS 1 4.208 9.332 7.665 3 3H LYS 1 3H LYS 1 5.355 8.307 8.386 4 HA LYS 1 HA LYS 1 3.649 7.489 9.572 5 1HB LYS 1 1HB LYS 1 1.436 8.248 9.160 6 2HB LYS 1 2HB LYS 1 2.454 9.551 8.547 7 1HG LYS 1 1HG LYS 1 2.291 8.517 6.261 8 2HG LYS 1 2HG LYS 1 1.132 7.362 6.918 9 1HD LYS 1 1HD LYS 1 -0.522 8.957 7.177 10 2HD LYS 1 2HD LYS 1 0.634 10.270 7.400 11 1HE LYS 1 1HE LYS 1 1.216 10.174 4.993 12 2HE LYS 1 2HE LYS 1 0.034 8.869 4.768 13 1HZ LYS 1 1HZ LYS 1 -0.904 11.220 6.198 14 2HZ LYS 1 2HZ LYS 1 -0.597 11.444 4.542 15 3HZ LYS 1 3HZ LYS 1 -1.704 10.260 5.052 16 H ASP 2 H ASP 2 2.748 5.399 9.621 17 HA ASP 2 HA ASP 2 3.150 3.757 7.190 18 1HB ASP 2 1HB ASP 2 2.344 3.109 10.048 19 2HB ASP 2 2HB ASP 2 2.760 1.915 8.818 20 H GLY 3 H GLY 3 1.421 2.739 6.091 21 1HA GLY 3 1HA GLY 3 -1.281 2.701 7.143 22 2HA GLY 3 2HA GLY 3 -1.074 3.965 5.935 23 H TYR 4 H TYR 4 -2.685 2.641 4.753 24 HA TYR 4 HA TYR 4 -1.474 0.247 3.415 25 1HB TYR 4 1HB TYR 4 -4.288 1.186 3.999 26 2HB TYR 4 2HB TYR 4 -3.972 -0.096 2.831 27 HD1 TYR 4 HD1 TYR 4 -2.682 -2.155 3.591 28 HD2 TYR 4 HD2 TYR 4 -4.257 0.754 6.331 29 HE1 TYR 4 HE1 TYR 4 -2.499 -3.797 5.441 30 HE2 TYR 4 HE2 TYR 4 -4.074 -0.886 8.181 31 HH TYR 4 HH TYR 4 -3.665 -4.148 7.708 32 H LEU 5 H LEU 5 -1.368 0.232 1.136 33 HA LEU 5 HA LEU 5 -1.578 2.849 -0.199 34 1HB LEU 5 1HB LEU 5 -0.219 0.311 -0.511 35 2HB LEU 5 2HB LEU 5 -0.997 0.769 -2.027 36 HG LEU 5 HG LEU 5 0.560 2.823 -0.484 37 1HD1 LEU 5 1HD1 LEU 5 1.629 0.463 -1.955 38 2HD1 LEU 5 2HD1 LEU 5 2.404 2.017 -2.270 39 3HD1 LEU 5 3HD1 LEU 5 2.341 1.379 -0.627 40 1HD2 LEU 5 1HD2 LEU 5 -0.379 2.358 -3.299 41 2HD2 LEU 5 2HD2 LEU 5 -0.531 3.803 -2.299 42 3HD2 LEU 5 3HD2 LEU 5 1.026 3.388 -3.020 43 H VAL 6 H VAL 6 -2.782 2.971 -2.333 44 HA VAL 6 HA VAL 6 -5.298 1.331 -2.219 45 HB VAL 6 HB VAL 6 -6.429 3.356 -2.976 46 1HG1 VAL 6 1HG1 VAL 6 -4.462 3.777 -0.717 47 2HG1 VAL 6 2HG1 VAL 6 -5.751 4.920 -1.088 48 3HG1 VAL 6 3HG1 VAL 6 -6.147 3.274 -0.598 49 1HG2 VAL 6 1HG2 VAL 6 -3.955 3.991 -4.086 50 2HG2 VAL 6 2HG2 VAL 6 -5.357 5.058 -4.025 51 3HG2 VAL 6 3HG2 VAL 6 -4.123 5.152 -2.769 52 H GLU 7 H GLU 7 -6.418 1.939 -4.598 53 HA GLU 7 HA GLU 7 -4.359 1.263 -6.671 54 1HB GLU 7 1HB GLU 7 -5.947 -0.570 -5.667 55 2HB GLU 7 2HB GLU 7 -7.172 0.194 -6.680 56 1HG GLU 7 1HG GLU 7 -4.777 -0.119 -8.220 57 2HG GLU 7 2HG GLU 7 -5.174 -1.666 -7.470 58 H LYS 8 H LYS 8 -5.300 1.690 -8.945 59 HA LYS 8 HA LYS 8 -6.036 4.370 -9.300 60 1HB LYS 8 1HB LYS 8 -6.038 3.766 -11.519 61 2HB LYS 8 2HB LYS 8 -5.378 2.263 -10.882 62 1HG LYS 8 1HG LYS 8 -7.912 1.590 -10.633 63 2HG LYS 8 2HG LYS 8 -8.164 2.853 -11.838 64 1HD LYS 8 1HD LYS 8 -6.133 0.641 -12.199 65 2HD LYS 8 2HD LYS 8 -7.797 0.505 -12.766 66 1HE LYS 8 1HE LYS 8 -5.729 2.554 -13.631 67 2HE LYS 8 2HE LYS 8 -6.521 1.327 -14.638 68 1HZ LYS 8 1HZ LYS 8 -8.651 2.480 -13.621 69 2HZ LYS 8 2HZ LYS 8 -7.602 3.815 -13.549 70 3HZ LYS 8 3HZ LYS 8 -7.917 3.058 -15.037 71 H THR 9 H THR 9 -8.053 1.632 -8.476 72 HA THR 9 HA THR 9 -10.573 3.066 -9.029 73 HB THR 9 HB THR 9 -11.444 0.892 -7.936 74 HG1 THR 9 HG1 THR 9 -9.386 0.517 -6.882 75 1HG2 THR 9 1HG2 THR 9 -9.718 0.905 -10.417 76 2HG2 THR 9 2HG2 THR 9 -10.706 -0.478 -9.949 77 3HG2 THR 9 3HG2 THR 9 -11.471 1.067 -10.319 78 H GLY 10 H GLY 10 -8.303 2.907 -6.498 79 1HA GLY 10 1HA GLY 10 -8.429 4.176 -4.467 80 2HA GLY 10 2HA GLY 10 -10.178 4.293 -4.678 81 H CYS 11 H CYS 11 -10.062 1.271 -5.307 82 HA CYS 11 HA CYS 11 -10.771 0.364 -2.654 83 1HB CYS 11 1HB CYS 11 -10.492 -0.730 -5.420 84 2HB CYS 11 2HB CYS 11 -10.547 -1.891 -4.092 85 H LYS 12 H LYS 12 -9.579 -0.977 -1.255 86 HA LYS 12 HA LYS 12 -6.780 -0.690 -1.057 87 1HB LYS 12 1HB LYS 12 -7.047 -2.683 0.488 88 2HB LYS 12 2HB LYS 12 -8.194 -1.377 0.787 89 1HG LYS 12 1HG LYS 12 -9.978 -2.633 0.151 90 2HG LYS 12 2HG LYS 12 -9.106 -3.347 -1.206 91 1HD LYS 12 1HD LYS 12 -9.255 -5.223 0.115 92 2HD LYS 12 2HD LYS 12 -7.781 -4.541 0.802 93 1HE LYS 12 1HE LYS 12 -8.908 -4.675 2.791 94 2HE LYS 12 2HE LYS 12 -9.747 -3.216 2.225 95 1HZ LYS 12 1HZ LYS 12 -10.648 -5.824 1.233 96 2HZ LYS 12 2HZ LYS 12 -11.087 -5.376 2.813 97 3HZ LYS 12 3HZ LYS 12 -11.539 -4.405 1.495 98 H LYS 13 H LYS 13 -5.595 -3.118 -0.793 99 HA LYS 13 HA LYS 13 -5.937 -4.603 -3.357 100 1HB LYS 13 1HB LYS 13 -4.204 -2.574 -3.244 101 2HB LYS 13 2HB LYS 13 -3.189 -3.799 -2.482 102 1HG LYS 13 1HG LYS 13 -3.729 -5.315 -4.446 103 2HG LYS 13 2HG LYS 13 -4.461 -3.913 -5.227 104 1HD LYS 13 1HD LYS 13 -2.430 -2.825 -5.496 105 2HD LYS 13 2HD LYS 13 -1.691 -3.645 -4.119 106 1HE LYS 13 1HE LYS 13 -2.199 -5.774 -5.762 107 2HE LYS 13 2HE LYS 13 -1.843 -4.500 -6.946 108 1HZ LYS 13 1HZ LYS 13 -0.192 -5.060 -4.540 109 2HZ LYS 13 2HZ LYS 13 0.177 -5.623 -6.100 110 3HZ LYS 13 3HZ LYS 13 0.162 -3.955 -5.778 111 H THR 14 H THR 14 -6.776 -5.909 -1.268 112 HA THR 14 HA THR 14 -5.297 -7.069 0.720 113 HB THR 14 HB THR 14 -7.091 -8.477 -1.285 114 HG1 THR 14 HG1 THR 14 -7.518 -6.882 0.990 115 1HG2 THR 14 1HG2 THR 14 -5.734 -9.948 0.282 116 2HG2 THR 14 2HG2 THR 14 -6.603 -9.184 1.615 117 3HG2 THR 14 3HG2 THR 14 -7.484 -10.122 0.410 118 H CYS 15 H CYS 15 -3.629 -8.574 0.909 119 HA CYS 15 HA CYS 15 -2.481 -9.672 -1.638 120 1HB CYS 15 1HB CYS 15 -0.259 -9.295 -0.481 121 2HB CYS 15 2HB CYS 15 -1.133 -7.813 -0.868 122 H TYR 16 H TYR 16 -2.285 -11.880 -1.566 123 HA TYR 16 HA TYR 16 -2.853 -13.316 0.936 124 1HB TYR 16 1HB TYR 16 -2.437 -13.953 -1.972 125 2HB TYR 16 2HB TYR 16 -2.402 -15.260 -0.787 126 HD1 TYR 16 HD1 TYR 16 -4.367 -14.386 1.205 127 HD2 TYR 16 HD2 TYR 16 -4.506 -14.136 -3.080 128 HE1 TYR 16 HE1 TYR 16 -6.845 -14.376 1.287 129 HE2 TYR 16 HE2 TYR 16 -6.985 -14.128 -2.999 130 HH TYR 16 HH TYR 16 -8.774 -14.858 -1.473 131 H LYS 17 H LYS 17 -0.042 -12.523 -1.031 132 HA LYS 17 HA LYS 17 1.735 -14.488 0.183 133 1HB LYS 17 1HB LYS 17 2.298 -11.894 -1.289 134 2HB LYS 17 2HB LYS 17 3.436 -13.219 -1.055 135 1HG LYS 17 1HG LYS 17 0.787 -13.760 -2.364 136 2HG LYS 17 2HG LYS 17 2.092 -13.041 -3.308 137 1HD LYS 17 1HD LYS 17 2.607 -15.484 -1.627 138 2HD LYS 17 2HD LYS 17 1.900 -15.640 -3.236 139 1HE LYS 17 1HE LYS 17 3.843 -14.995 -4.297 140 2HE LYS 17 2HE LYS 17 4.309 -13.889 -2.989 141 1HZ LYS 17 1HZ LYS 17 4.497 -16.006 -1.596 142 2HZ LYS 17 2HZ LYS 17 4.533 -16.836 -3.078 143 3HZ LYS 17 3HZ LYS 17 5.736 -15.693 -2.710 144 H LEU 18 H LEU 18 0.992 -13.857 2.472 145 HA LEU 18 HA LEU 18 1.598 -11.342 3.668 146 1HB LEU 18 1HB LEU 18 1.236 -14.186 4.575 147 2HB LEU 18 2HB LEU 18 1.717 -12.957 5.745 148 HG LEU 18 HG LEU 18 -0.698 -12.742 3.927 149 1HD1 LEU 18 1HD1 LEU 18 -0.312 -13.808 6.700 150 2HD1 LEU 18 2HD1 LEU 18 -1.789 -12.911 6.342 151 3HD1 LEU 18 3HD1 LEU 18 -1.398 -14.367 5.426 152 1HD2 LEU 18 1HD2 LEU 18 0.760 -10.789 5.314 153 2HD2 LEU 18 2HD2 LEU 18 -0.866 -10.613 4.656 154 3HD2 LEU 18 3HD2 LEU 18 -0.643 -11.111 6.333 155 H GLY 19 H GLY 19 3.376 -10.956 5.272 156 1HA GLY 19 1HA GLY 19 5.611 -11.230 6.064 157 2HA GLY 19 2HA GLY 19 5.816 -12.573 4.940 158 H GLU 20 H GLU 20 7.921 -11.202 4.709 159 HA GLU 20 HA GLU 20 8.095 -8.718 3.435 160 1HB GLU 20 1HB GLU 20 9.771 -10.759 4.173 161 2HB GLU 20 2HB GLU 20 9.889 -10.832 2.414 162 1HG GLU 20 1HG GLU 20 10.251 -8.309 4.054 163 2HG GLU 20 2HG GLU 20 11.573 -9.294 3.427 164 H ASN 21 H ASN 21 6.281 -8.560 1.940 165 HA ASN 21 HA ASN 21 6.199 -10.364 -0.394 166 1HB ASN 21 1HB ASN 21 4.205 -9.454 0.859 167 2HB ASN 21 2HB ASN 21 4.624 -7.854 0.243 168 1HD2 ASN 21 2HD2 ASN 21 2.354 -9.983 -0.360 169 2HD2 ASN 21 1HD2 ASN 21 2.298 -9.974 -2.058 170 H ASP 22 H ASP 22 8.288 -9.788 -1.368 171 HA ASP 22 HA ASP 22 9.325 -7.288 -1.978 172 1HB ASP 22 1HB ASP 22 9.116 -9.731 -3.773 173 2HB ASP 22 2HB ASP 22 10.312 -8.446 -3.930 174 H PHE 23 H PHE 23 6.769 -9.029 -3.784 175 HA PHE 23 HA PHE 23 6.373 -7.332 -5.961 176 1HB PHE 23 1HB PHE 23 5.082 -9.446 -4.767 177 2HB PHE 23 2HB PHE 23 3.915 -8.144 -4.535 178 HD1 PHE 23 HD1 PHE 23 3.663 -6.556 -6.712 179 HD2 PHE 23 HD2 PHE 23 4.919 -10.664 -6.740 180 HE1 PHE 23 HE1 PHE 23 2.975 -6.750 -9.088 181 HE2 PHE 23 HE2 PHE 23 4.233 -10.858 -9.115 182 HZ PHE 23 HZ PHE 23 3.261 -8.902 -10.289 183 H CYS 24 H CYS 24 4.547 -7.036 -2.886 184 HA CYS 24 HA CYS 24 3.492 -4.439 -3.400 185 1HB CYS 24 1HB CYS 24 2.849 -6.178 -1.644 186 2HB CYS 24 2HB CYS 24 4.242 -5.629 -0.713 187 H ASN 25 H ASN 25 6.448 -5.472 -1.691 188 HA ASN 25 HA ASN 25 7.395 -3.002 -0.751 189 1HB ASN 25 1HB ASN 25 8.303 -5.395 -0.514 190 2HB ASN 25 2HB ASN 25 9.092 -5.134 -2.070 191 1HD2 ASN 25 2HD2 ASN 25 9.683 -4.933 1.203 192 2HD2 ASN 25 1HD2 ASN 25 10.891 -3.741 1.194 193 H ARG 26 H ARG 26 7.952 -4.479 -3.967 194 HA ARG 26 HA ARG 26 9.530 -2.416 -5.100 195 1HB ARG 26 1HB ARG 26 8.229 -4.812 -5.855 196 2HB ARG 26 2HB ARG 26 7.679 -3.581 -6.993 197 1HG ARG 26 1HG ARG 26 9.635 -4.214 -8.043 198 2HG ARG 26 2HG ARG 26 10.268 -2.947 -6.991 199 1HD ARG 26 1HD ARG 26 10.172 -5.401 -5.505 200 2HD ARG 26 2HD ARG 26 11.019 -5.695 -7.033 201 HE ARG 26 HE ARG 26 12.060 -4.205 -4.829 202 1HH1 ARG 26 1HH1 ARG 26 11.688 -3.936 -8.264 203 2HH1 ARG 26 2HH1 ARG 26 12.862 -2.675 -8.408 204 1HH2 ARG 26 1HH2 ARG 26 13.598 -2.586 -5.028 205 2HH2 ARG 26 2HH2 ARG 26 13.945 -1.919 -6.588 206 H GLU 27 H GLU 27 5.974 -2.860 -5.285 207 HA GLU 27 HA GLU 27 5.419 -0.462 -6.728 208 1HB GLU 27 1HB GLU 27 3.968 -2.410 -4.988 209 2HB GLU 27 2HB GLU 27 3.153 -0.892 -5.367 210 1HG GLU 27 1HG GLU 27 4.296 -2.850 -7.382 211 2HG GLU 27 2HG GLU 27 2.584 -2.581 -7.049 212 H CYS 28 H CYS 28 5.730 -1.100 -3.245 213 HA CYS 28 HA CYS 28 4.772 1.448 -2.327 214 1HB CYS 28 1HB CYS 28 5.115 -0.710 -1.037 215 2HB CYS 28 2HB CYS 28 6.845 -0.365 -1.058 216 H LYS 29 H LYS 29 7.979 0.296 -3.323 217 HA LYS 29 HA LYS 29 9.328 2.777 -2.536 218 1HB LYS 29 1HB LYS 29 10.340 0.485 -2.547 219 2HB LYS 29 2HB LYS 29 10.209 0.474 -4.306 220 1HG LYS 29 1HG LYS 29 12.014 1.816 -4.558 221 2HG LYS 29 2HG LYS 29 11.493 2.896 -3.264 222 1HD LYS 29 1HD LYS 29 13.587 1.830 -2.615 223 2HD LYS 29 2HD LYS 29 12.286 1.211 -1.596 224 1HE LYS 29 1HE LYS 29 13.247 -0.808 -2.213 225 2HE LYS 29 2HE LYS 29 12.155 -0.602 -3.596 226 1HZ LYS 29 1HZ LYS 29 14.305 0.944 -4.229 227 2HZ LYS 29 2HZ LYS 29 15.019 -0.411 -3.500 228 3HZ LYS 29 3HZ LYS 29 13.994 -0.611 -4.840 229 H TRP 30 H TRP 30 8.929 1.175 -5.728 230 HA TRP 30 HA TRP 30 8.599 2.121 -7.872 231 1HB TRP 30 1HB TRP 30 7.176 3.677 -5.923 232 2HB TRP 30 2HB TRP 30 7.833 4.771 -7.136 233 HD1 TRP 30 HD1 TRP 30 4.849 2.937 -6.535 234 HE1 TRP 30 HE1 TRP 30 3.585 2.356 -8.707 235 HE3 TRP 30 HE3 TRP 30 8.539 3.795 -9.953 236 HZ2 TRP 30 HZ2 TRP 30 4.078 2.272 -11.525 237 HZ3 TRP 30 HZ3 TRP 30 8.118 3.462 -12.371 238 HH2 TRP 30 HH2 TRP 30 5.894 2.702 -13.161 239 H LYS 31 H LYS 31 9.031 4.928 -8.556 240 HA LYS 31 HA LYS 31 11.984 5.116 -8.058 241 1HB LYS 31 1HB LYS 31 10.381 4.901 -10.430 242 2HB LYS 31 2HB LYS 31 11.180 6.474 -10.434 243 1HG LYS 31 1HG LYS 31 12.503 4.559 -11.480 244 2HG LYS 31 2HG LYS 31 13.344 5.481 -10.234 245 1HD LYS 31 1HD LYS 31 13.195 3.768 -8.670 246 2HD LYS 31 2HD LYS 31 11.762 3.066 -9.423 247 1HE LYS 31 1HE LYS 31 13.149 2.304 -11.339 248 2HE LYS 31 2HE LYS 31 14.588 2.971 -10.545 249 1HZ LYS 31 1HZ LYS 31 12.750 0.963 -9.348 250 2HZ LYS 31 2HZ LYS 31 14.274 0.613 -10.008 251 3HZ LYS 31 3HZ LYS 31 14.152 1.592 -8.624 252 H HIS 32 H HIS 32 9.192 6.528 -7.115 253 HA HIS 32 HA HIS 32 10.473 9.048 -6.422 254 1HB HIS 32 1HB HIS 32 9.598 8.924 -8.984 255 2HB HIS 32 2HB HIS 32 8.122 9.476 -8.192 256 HD1 HIS 32 HD1 HIS 32 8.679 11.763 -9.574 257 HD2 HIS 32 HD2 HIS 32 11.244 10.839 -6.420 258 HE1 HIS 32 HE1 HIS 32 9.928 13.895 -9.017 259 H ILE 33 H ILE 33 9.342 7.355 -4.661 260 HA ILE 33 HA ILE 33 6.760 8.694 -3.953 261 HB ILE 33 HB ILE 33 7.501 5.786 -4.176 262 1HG1 ILE 33 1HG1 ILE 33 5.042 7.435 -4.852 263 2HG1 ILE 33 2HG1 ILE 33 6.247 6.845 -5.997 264 1HG2 ILE 33 1HG2 ILE 33 5.917 7.032 -2.021 265 2HG2 ILE 33 2HG2 ILE 33 5.081 5.733 -2.872 266 3HG2 ILE 33 3HG2 ILE 33 6.637 5.423 -2.102 267 1HD1 ILE 33 1HD1 ILE 33 4.965 4.817 -4.232 268 2HD1 ILE 33 2HD1 ILE 33 3.963 5.513 -5.505 269 3HD1 ILE 33 3HD1 ILE 33 5.464 4.685 -5.919 270 H GLY 34 H GLY 34 9.106 6.359 -2.550 271 1HA GLY 34 1HA GLY 34 10.587 7.168 -0.704 272 2HA GLY 34 2HA GLY 34 9.223 8.132 -0.146 273 H GLY 35 H GLY 35 9.710 4.711 -1.044 274 1HA GLY 35 1HA GLY 35 8.047 3.952 1.305 275 2HA GLY 35 2HA GLY 35 8.440 2.892 -0.050 276 H SER 36 H SER 36 9.258 3.671 3.128 277 HA SER 36 HA SER 36 12.074 2.779 2.928 278 1HB SER 36 1HB SER 36 11.123 3.053 5.611 279 2HB SER 36 2HB SER 36 12.194 4.134 4.726 280 HG SER 36 HG SER 36 10.460 5.293 4.044 281 H TYR 37 H TYR 37 8.930 1.507 3.823 282 HA TYR 37 HA TYR 37 9.989 -1.218 3.959 283 1HB TYR 37 1HB TYR 37 10.119 0.381 6.243 284 2HB TYR 37 2HB TYR 37 8.663 -0.582 6.488 285 HD1 TYR 37 HD1 TYR 37 11.717 -1.560 4.586 286 HD2 TYR 37 HD2 TYR 37 9.372 -2.136 8.140 287 HE1 TYR 37 HE1 TYR 37 13.112 -3.518 5.189 288 HE2 TYR 37 HE2 TYR 37 10.768 -4.096 8.743 289 HH TYR 37 HH TYR 37 13.672 -4.904 6.937 290 H GLY 38 H GLY 38 8.347 -2.106 2.712 291 1HA GLY 38 1HA GLY 38 5.587 -1.876 3.767 292 2HA GLY 38 2HA GLY 38 5.852 -1.390 2.094 293 H TYR 39 H TYR 39 4.369 -3.713 3.397 294 HA TYR 39 HA TYR 39 5.041 -5.696 1.385 295 1HB TYR 39 1HB TYR 39 5.512 -7.397 3.384 296 2HB TYR 39 2HB TYR 39 6.813 -6.434 2.690 297 HD1 TYR 39 HD1 TYR 39 4.055 -5.757 5.152 298 HD2 TYR 39 HD2 TYR 39 8.265 -5.627 4.313 299 HE1 TYR 39 HE1 TYR 39 4.467 -4.719 7.364 300 HE2 TYR 39 HE2 TYR 39 8.676 -4.590 6.527 301 HH TYR 39 HH TYR 39 6.001 -4.034 8.817 302 H CYS 40 H CYS 40 3.864 -7.945 2.475 303 HA CYS 40 HA CYS 40 1.053 -7.089 2.652 304 1HB CYS 40 1HB CYS 40 1.927 -8.975 1.244 305 2HB CYS 40 2HB CYS 40 2.314 -9.845 2.727 306 H TYR 41 H TYR 41 0.411 -6.411 4.680 307 HA TYR 41 HA TYR 41 1.072 -8.203 6.994 308 1HB TYR 41 1HB TYR 41 1.971 -5.656 6.618 309 2HB TYR 41 2HB TYR 41 0.467 -5.339 7.481 310 HD1 TYR 41 HD1 TYR 41 0.771 -8.294 8.816 311 HD2 TYR 41 HD2 TYR 41 3.159 -4.727 8.645 312 HE1 TYR 41 HE1 TYR 41 1.879 -8.932 10.940 313 HE2 TYR 41 HE2 TYR 41 4.266 -5.366 10.767 314 HH TYR 41 HH TYR 41 4.656 -7.829 11.967 315 H GLY 42 H GLY 42 -0.865 -9.284 7.313 316 1HA GLY 42 1HA GLY 42 -3.080 -9.445 8.150 317 2HA GLY 42 2HA GLY 42 -3.213 -7.688 8.049 318 H PHE 43 H PHE 43 -2.425 -10.118 5.549 319 HA PHE 43 HA PHE 43 -3.373 -10.427 3.407 320 1HB PHE 43 1HB PHE 43 -5.666 -9.850 5.280 321 2HB PHE 43 2HB PHE 43 -5.965 -10.182 3.574 322 HD1 PHE 43 HD1 PHE 43 -3.960 -11.546 6.442 323 HD2 PHE 43 HD2 PHE 43 -6.273 -12.402 2.925 324 HE1 PHE 43 HE1 PHE 43 -3.711 -13.978 6.869 325 HE2 PHE 43 HE2 PHE 43 -6.023 -14.832 3.352 326 HZ PHE 43 HZ PHE 43 -4.741 -15.620 5.324 327 H GLY 44 H GLY 44 -2.353 -7.731 4.097 328 1HA GLY 44 1HA GLY 44 -3.649 -6.262 1.911 329 2HA GLY 44 2HA GLY 44 -3.823 -5.512 3.498 330 H CYS 45 H CYS 45 -2.397 -4.238 1.420 331 HA CYS 45 HA CYS 45 0.480 -4.701 1.946 332 1HB CYS 45 1HB CYS 45 -1.247 -3.360 -0.043 333 2HB CYS 45 2HB CYS 45 0.272 -2.527 0.288 334 H TYR 46 H TYR 46 1.371 -3.693 3.697 335 HA TYR 46 HA TYR 46 0.330 -0.979 4.454 336 1HB TYR 46 1HB TYR 46 -0.043 -3.070 5.950 337 2HB TYR 46 2HB TYR 46 1.684 -2.957 6.292 338 HD1 TYR 46 HD1 TYR 46 -1.432 -0.877 6.245 339 HD2 TYR 46 HD2 TYR 46 2.445 -1.521 7.979 340 HE1 TYR 46 HE1 TYR 46 -1.877 0.911 7.906 341 HE2 TYR 46 HE2 TYR 46 2.000 0.267 9.638 342 HH TYR 46 HH TYR 46 -0.881 1.377 10.414 343 H CYS 47 H CYS 47 1.869 0.604 4.162 344 HA CYS 47 HA CYS 47 4.741 -0.236 4.007 345 1HB CYS 47 1HB CYS 47 3.058 1.956 2.812 346 2HB CYS 47 2HB CYS 47 4.811 2.123 2.874 347 H GLU 48 H GLU 48 6.330 1.292 4.959 348 HA GLU 48 HA GLU 48 5.190 2.858 7.252 349 1HB GLU 48 1HB GLU 48 7.760 1.245 7.126 350 2HB GLU 48 2HB GLU 48 7.108 2.057 8.550 351 1HG GLU 48 1HG GLU 48 4.974 0.589 8.035 352 2HG GLU 48 2HG GLU 48 6.134 -0.423 7.172 353 H GLY 49 H GLY 49 5.602 4.252 4.933 354 1HA GLY 49 1HA GLY 49 7.580 6.191 5.700 355 2HA GLY 49 2HA GLY 49 8.190 5.210 4.368 356 H LEU 50 H LEU 50 4.762 5.903 4.668 357 HA LEU 50 HA LEU 50 4.820 7.232 2.039 358 1HB LEU 50 1HB LEU 50 2.448 6.861 3.869 359 2HB LEU 50 2HB LEU 50 2.474 6.899 2.107 360 HG LEU 50 HG LEU 50 3.388 4.695 3.951 361 1HD1 LEU 50 1HD1 LEU 50 1.503 4.943 1.598 362 2HD1 LEU 50 2HD1 LEU 50 2.022 3.383 2.234 363 3HD1 LEU 50 3HD1 LEU 50 1.111 4.493 3.257 364 1HD2 LEU 50 1HD2 LEU 50 4.312 5.350 1.166 365 2HD2 LEU 50 2HD2 LEU 50 5.238 4.707 2.522 366 3HD2 LEU 50 3HD2 LEU 50 4.129 3.659 1.636 367 HA PRO 51 HA PRO 51 5.344 11.196 4.167 368 1HB PRO 51 1HB PRO 51 4.755 12.413 1.605 369 2HB PRO 51 2HB PRO 51 6.298 12.347 2.461 370 1HG PRO 51 1HG PRO 51 5.537 10.887 0.122 371 2HG PRO 51 2HG PRO 51 7.060 10.785 1.010 372 1HD PRO 51 1HD PRO 51 4.971 8.811 0.875 373 2HD PRO 51 2HD PRO 51 6.479 8.734 1.820 374 H ASP 52 H ASP 52 3.846 12.985 4.614 375 HA ASP 52 HA ASP 52 1.113 12.251 4.853 376 1HB ASP 52 1HB ASP 52 2.722 14.786 4.993 377 2HB ASP 52 2HB ASP 52 0.964 14.870 5.118 378 H SER 53 H SER 53 2.869 13.589 2.160 379 HA SER 53 HA SER 53 0.578 14.728 0.774 380 1HB SER 53 1HB SER 53 2.188 15.029 -0.992 381 2HB SER 53 2HB SER 53 3.049 15.288 0.521 382 HG SER 53 HG SER 53 3.452 12.884 0.301 383 H THR 54 H THR 54 2.088 11.563 0.978 384 HA THR 54 HA THR 54 0.753 10.448 -1.368 385 HB THR 54 HB THR 54 1.884 8.911 0.967 386 HG1 THR 54 HG1 THR 54 3.502 10.284 0.709 387 1HG2 THR 54 1HG2 THR 54 1.675 8.557 -2.017 388 2HG2 THR 54 2HG2 THR 54 2.842 7.631 -1.073 389 3HG2 THR 54 3HG2 THR 54 1.116 7.478 -0.739 390 H GLN 55 H GLN 55 -1.183 9.275 -1.385 391 HA GLN 55 HA GLN 55 -2.878 9.498 1.043 392 1HB GLN 55 1HB GLN 55 -3.584 10.248 -1.251 393 2HB GLN 55 2HB GLN 55 -3.513 8.564 -1.772 394 1HG GLN 55 1HG GLN 55 -5.789 8.916 -1.197 395 2HG GLN 55 2HG GLN 55 -5.103 8.070 0.190 396 1HE2 GLN 55 2HE2 GLN 55 -6.455 9.006 1.822 397 2HE2 GLN 55 1HE2 GLN 55 -6.436 10.663 2.193 398 H THR 56 H THR 56 -3.819 7.681 2.048 399 HA THR 56 HA THR 56 -2.802 4.996 1.166 400 HB THR 56 HB THR 56 -1.607 5.575 3.140 401 HG1 THR 56 HG1 THR 56 -3.748 4.389 4.443 402 1HG2 THR 56 1HG2 THR 56 -4.237 6.758 4.024 403 2HG2 THR 56 2HG2 THR 56 -2.952 6.411 5.181 404 3HG2 THR 56 3HG2 THR 56 -2.672 7.557 3.869 405 H TRP 57 H TRP 57 -4.244 3.221 2.272 406 HA TRP 57 HA TRP 57 -7.059 3.861 1.638 407 1HB TRP 57 1HB TRP 57 -5.589 1.778 1.005 408 2HB TRP 57 2HB TRP 57 -5.989 1.226 2.631 409 HD1 TRP 57 HD1 TRP 57 -7.676 2.227 -0.675 410 HE1 TRP 57 HE1 TRP 57 -10.009 1.135 -0.764 411 HE3 TRP 57 HE3 TRP 57 -7.866 0.164 3.996 412 HZ2 TRP 57 HZ2 TRP 57 -11.728 -0.411 0.920 413 HZ3 TRP 57 HZ3 TRP 57 -9.861 -1.113 4.724 414 HH2 TRP 57 HH2 TRP 57 -11.790 -1.403 3.194 415 HA PRO 58 HA PRO 58 -9.005 3.140 2.025 416 1HB PRO 58 1HB PRO 58 -10.997 4.733 3.266 417 2HB PRO 58 2HB PRO 58 -11.000 2.975 3.094 418 1HG PRO 58 1HG PRO 58 -10.639 4.537 5.500 419 2HG PRO 58 2HG PRO 58 -10.758 2.783 5.337 420 1HD PRO 58 1HD PRO 58 -8.397 4.362 5.883 421 2HD PRO 58 2HD PRO 58 -8.525 2.591 5.748 422 H LEU 59 H LEU 59 -10.186 5.076 0.823 423 HA LEU 59 HA LEU 59 -8.249 7.278 0.614 424 1HB LEU 59 1HB LEU 59 -10.418 6.040 -0.918 425 2HB LEU 59 2HB LEU 59 -10.446 7.801 -1.023 426 HG LEU 59 HG LEU 59 -7.729 7.026 -1.253 427 1HD1 LEU 59 1HD1 LEU 59 -8.641 4.756 -1.801 428 2HD1 LEU 59 2HD1 LEU 59 -9.527 5.480 -3.143 429 3HD1 LEU 59 3HD1 LEU 59 -7.763 5.492 -3.142 430 1HD2 LEU 59 1HD2 LEU 59 -9.718 8.578 -2.614 431 2HD2 LEU 59 2HD2 LEU 59 -7.963 8.697 -2.748 432 3HD2 LEU 59 3HD2 LEU 59 -8.857 7.610 -3.811 433 HA PRO 60 HA PRO 60 -10.243 10.515 2.830 434 1HB PRO 60 1HB PRO 60 -10.956 12.103 0.505 435 2HB PRO 60 2HB PRO 60 -9.689 12.398 1.699 436 1HG PRO 60 1HG PRO 60 -9.337 11.559 -0.989 437 2HG PRO 60 2HG PRO 60 -8.093 11.684 0.258 438 1HD PRO 60 1HD PRO 60 -9.216 9.284 -0.911 439 2HD PRO 60 2HD PRO 60 -7.917 9.411 0.298 440 H ASN 61 H ASN 61 -12.372 12.177 2.117 441 HA ASN 61 HA ASN 61 -14.683 10.776 2.771 442 1HB ASN 61 1HB ASN 61 -14.048 13.333 2.290 443 2HB ASN 61 2HB ASN 61 -14.845 12.984 0.756 444 1HD2 ASN 61 2HD2 ASN 61 -15.403 12.642 4.306 445 2HD2 ASN 61 1HD2 ASN 61 -17.083 12.869 4.209 446 H LYS 62 H LYS 62 -13.162 11.155 -0.383 447 HA LYS 62 HA LYS 62 -15.372 9.765 -1.777 448 1HB LYS 62 1HB LYS 62 -12.832 11.197 -2.454 449 2HB LYS 62 2HB LYS 62 -13.474 10.055 -3.636 450 1HG LYS 62 1HG LYS 62 -15.612 11.221 -3.673 451 2HG LYS 62 2HG LYS 62 -15.075 12.308 -2.392 452 1HD LYS 62 1HD LYS 62 -14.439 13.676 -4.089 453 2HD LYS 62 2HD LYS 62 -13.062 12.584 -4.243 454 1HE LYS 62 1HE LYS 62 -14.076 12.801 -6.441 455 2HE LYS 62 2HE LYS 62 -14.487 11.186 -5.829 456 1HZ LYS 62 1HZ LYS 62 -16.251 13.350 -5.022 457 2HZ LYS 62 2HZ LYS 62 -16.321 12.928 -6.663 458 3HZ LYS 62 3HZ LYS 62 -16.626 11.755 -5.472 459 H THR 63 H THR 63 -15.103 7.732 -0.496 460 HA THR 63 HA THR 63 -12.619 6.204 -0.765 461 HB THR 63 HB THR 63 -15.337 5.226 0.124 462 HG1 THR 63 HG1 THR 63 -15.192 6.424 1.851 463 1HG2 THR 63 1HG2 THR 63 -12.501 4.413 0.427 464 2HG2 THR 63 2HG2 THR 63 -13.511 4.250 1.864 465 3HG2 THR 63 3HG2 THR 63 -13.958 3.421 0.373 466 H CYS 64 H CYS 64 -13.097 3.742 -1.450 467 HA CYS 64 HA CYS 64 -13.886 3.843 -4.286 468 1HB CYS 64 1HB CYS 64 -11.852 2.690 -3.361 469 2HB CYS 64 2HB CYS 64 -12.921 1.555 -2.539 Start of MODEL 34 1 1H LYS 1 1H LYS 1 6.219 3.636 11.304 2 2H LYS 1 2H LYS 1 6.067 4.641 12.663 3 3H LYS 1 3H LYS 1 5.118 3.238 12.535 4 HA LYS 1 HA LYS 1 3.591 4.819 11.901 5 1HB LYS 1 1HB LYS 1 4.466 6.780 10.478 6 2HB LYS 1 2HB LYS 1 5.040 6.701 12.144 7 1HG LYS 1 1HG LYS 1 7.105 5.593 11.395 8 2HG LYS 1 2HG LYS 1 6.532 5.638 9.727 9 1HD LYS 1 1HD LYS 1 6.743 8.164 11.360 10 2HD LYS 1 2HD LYS 1 8.143 7.518 10.505 11 1HE LYS 1 1HE LYS 1 7.177 7.862 8.392 12 2HE LYS 1 2HE LYS 1 5.526 7.882 9.047 13 1HZ LYS 1 1HZ LYS 1 7.467 9.854 10.025 14 2HZ LYS 1 2HZ LYS 1 6.748 10.112 8.506 15 3HZ LYS 1 3HZ LYS 1 5.780 9.978 9.897 16 H ASP 2 H ASP 2 3.487 2.528 10.721 17 HA ASP 2 HA ASP 2 3.987 2.807 7.791 18 1HB ASP 2 1HB ASP 2 2.966 0.355 9.223 19 2HB ASP 2 2HB ASP 2 3.960 0.447 7.771 20 H GLY 3 H GLY 3 2.140 1.753 6.426 21 1HA GLY 3 1HA GLY 3 -0.541 1.781 7.510 22 2HA GLY 3 2HA GLY 3 -0.210 3.254 6.597 23 H TYR 4 H TYR 4 -2.134 1.939 5.445 24 HA TYR 4 HA TYR 4 -0.933 0.108 3.398 25 1HB TYR 4 1HB TYR 4 -3.764 0.590 4.381 26 2HB TYR 4 2HB TYR 4 -3.348 -0.530 3.086 27 HD1 TYR 4 HD1 TYR 4 -2.102 -2.587 3.542 28 HD2 TYR 4 HD2 TYR 4 -3.167 0.121 6.701 29 HE1 TYR 4 HE1 TYR 4 -1.575 -4.336 5.220 30 HE2 TYR 4 HE2 TYR 4 -2.639 -1.627 8.379 31 HH TYR 4 HH TYR 4 -0.826 -4.112 7.932 32 H LEU 5 H LEU 5 -0.120 1.968 2.105 33 HA LEU 5 HA LEU 5 -1.590 4.196 1.232 34 1HB LEU 5 1HB LEU 5 0.584 2.465 0.091 35 2HB LEU 5 2HB LEU 5 -0.093 3.754 -0.904 36 HG LEU 5 HG LEU 5 0.718 4.369 1.918 37 1HD1 LEU 5 1HD1 LEU 5 2.511 3.666 -0.348 38 2HD1 LEU 5 2HD1 LEU 5 2.936 5.111 0.570 39 3HD1 LEU 5 3HD1 LEU 5 2.795 3.555 1.389 40 1HD2 LEU 5 1HD2 LEU 5 -0.492 6.037 0.545 41 2HD2 LEU 5 2HD2 LEU 5 1.146 6.580 0.908 42 3HD2 LEU 5 3HD2 LEU 5 0.766 5.931 -0.687 43 H VAL 6 H VAL 6 -2.598 4.512 -0.976 44 HA VAL 6 HA VAL 6 -4.353 2.183 -1.617 45 HB VAL 6 HB VAL 6 -5.845 3.891 -2.490 46 1HG1 VAL 6 1HG1 VAL 6 -5.154 3.645 0.133 47 2HG1 VAL 6 2HG1 VAL 6 -4.854 5.364 -0.121 48 3HG1 VAL 6 3HG1 VAL 6 -6.453 4.692 -0.440 49 1HG2 VAL 6 1HG2 VAL 6 -3.340 5.521 -2.389 50 2HG2 VAL 6 2HG2 VAL 6 -4.602 5.483 -3.620 51 3HG2 VAL 6 3HG2 VAL 6 -4.870 6.352 -2.108 52 H GLU 7 H GLU 7 -5.134 2.690 -4.141 53 HA GLU 7 HA GLU 7 -2.607 2.505 -5.744 54 1HB GLU 7 1HB GLU 7 -4.549 0.664 -5.398 55 2HB GLU 7 2HB GLU 7 -5.239 1.539 -6.763 56 1HG GLU 7 1HG GLU 7 -2.378 1.001 -7.087 57 2HG GLU 7 2HG GLU 7 -3.336 -0.470 -6.931 58 H LYS 8 H LYS 8 -3.273 3.073 -8.211 59 HA LYS 8 HA LYS 8 -3.559 5.802 -8.534 60 1HB LYS 8 1HB LYS 8 -3.127 3.899 -10.219 61 2HB LYS 8 2HB LYS 8 -4.882 3.799 -10.376 62 1HG LYS 8 1HG LYS 8 -4.942 5.633 -11.685 63 2HG LYS 8 2HG LYS 8 -3.983 6.555 -10.527 64 1HD LYS 8 1HD LYS 8 -1.924 5.754 -11.453 65 2HD LYS 8 2HD LYS 8 -2.759 4.539 -12.423 66 1HE LYS 8 1HE LYS 8 -2.446 6.190 -14.039 67 2HE LYS 8 2HE LYS 8 -4.007 6.720 -13.377 68 1HZ LYS 8 1HZ LYS 8 -1.365 7.588 -12.330 69 2HZ LYS 8 2HZ LYS 8 -2.307 8.505 -13.407 70 3HZ LYS 8 3HZ LYS 8 -2.890 8.163 -11.851 71 H THR 9 H THR 9 -6.319 3.537 -8.932 72 HA THR 9 HA THR 9 -8.300 5.639 -8.873 73 HB THR 9 HB THR 9 -9.831 3.763 -8.953 74 HG1 THR 9 HG1 THR 9 -7.719 1.993 -8.425 75 1HG2 THR 9 1HG2 THR 9 -8.082 4.212 -10.856 76 2HG2 THR 9 2HG2 THR 9 -7.400 2.672 -10.336 77 3HG2 THR 9 3HG2 THR 9 -9.065 2.749 -10.911 78 H GLY 10 H GLY 10 -6.726 3.705 -6.409 79 1HA GLY 10 1HA GLY 10 -6.803 4.801 -4.121 80 2HA GLY 10 2HA GLY 10 -8.548 4.914 -4.364 81 H CYS 11 H CYS 11 -8.570 2.217 -5.693 82 HA CYS 11 HA CYS 11 -9.328 0.587 -3.534 83 1HB CYS 11 1HB CYS 11 -8.383 0.173 -6.348 84 2HB CYS 11 2HB CYS 11 -8.607 -1.245 -5.324 85 H LYS 12 H LYS 12 -8.142 -0.430 -1.949 86 HA LYS 12 HA LYS 12 -5.299 -0.161 -1.717 87 1HB LYS 12 1HB LYS 12 -5.661 -1.823 0.128 88 2HB LYS 12 2HB LYS 12 -6.785 -0.468 0.180 89 1HG LYS 12 1HG LYS 12 -8.586 -1.784 -0.265 90 2HG LYS 12 2HG LYS 12 -7.703 -2.742 -1.456 91 1HD LYS 12 1HD LYS 12 -6.520 -3.895 0.423 92 2HD LYS 12 2HD LYS 12 -7.544 -3.015 1.559 93 1HE LYS 12 1HE LYS 12 -9.546 -3.994 0.256 94 2HE LYS 12 2HE LYS 12 -8.369 -5.115 -0.457 95 1HZ LYS 12 1HZ LYS 12 -8.735 -4.643 2.456 96 2HZ LYS 12 2HZ LYS 12 -9.312 -5.998 1.607 97 3HZ LYS 12 3HZ LYS 12 -7.641 -5.731 1.751 98 H LYS 13 H LYS 13 -4.304 -2.628 -1.066 99 HA LYS 13 HA LYS 13 -4.664 -4.307 -3.520 100 1HB LYS 13 1HB LYS 13 -2.186 -3.060 -2.334 101 2HB LYS 13 2HB LYS 13 -2.080 -4.480 -3.376 102 1HG LYS 13 1HG LYS 13 -3.722 -2.953 -4.879 103 2HG LYS 13 2HG LYS 13 -2.816 -1.682 -4.057 104 1HD LYS 13 1HD LYS 13 -0.838 -2.239 -5.079 105 2HD LYS 13 2HD LYS 13 -1.233 -3.958 -5.136 106 1HE LYS 13 1HE LYS 13 -3.025 -2.307 -6.788 107 2HE LYS 13 2HE LYS 13 -1.330 -2.270 -7.316 108 1HZ LYS 13 1HZ LYS 13 -1.499 -4.813 -6.775 109 2HZ LYS 13 2HZ LYS 13 -3.150 -4.558 -7.070 110 3HZ LYS 13 3HZ LYS 13 -2.009 -4.213 -8.281 111 H THR 14 H THR 14 -5.625 -6.058 -2.387 112 HA THR 14 HA THR 14 -4.490 -7.031 0.137 113 HB THR 14 HB THR 14 -6.424 -8.471 -1.686 114 HG1 THR 14 HG1 THR 14 -8.021 -7.147 -0.974 115 1HG2 THR 14 1HG2 THR 14 -5.579 -9.498 0.463 116 2HG2 THR 14 2HG2 THR 14 -6.358 -8.173 1.326 117 3HG2 THR 14 3HG2 THR 14 -7.330 -9.305 0.385 118 H CYS 15 H CYS 15 -3.072 -8.779 0.348 119 HA CYS 15 HA CYS 15 -2.303 -10.239 -2.155 120 1HB CYS 15 1HB CYS 15 0.067 -10.004 -1.279 121 2HB CYS 15 2HB CYS 15 -0.683 -8.491 -1.786 122 H TYR 16 H TYR 16 -2.018 -12.428 -1.844 123 HA TYR 16 HA TYR 16 -2.465 -13.489 0.902 124 1HB TYR 16 1HB TYR 16 -2.374 -14.936 -1.759 125 2HB TYR 16 2HB TYR 16 -3.142 -15.482 -0.267 126 HD1 TYR 16 HD1 TYR 16 -4.478 -12.995 0.647 127 HD2 TYR 16 HD2 TYR 16 -4.166 -14.702 -3.283 128 HE1 TYR 16 HE1 TYR 16 -6.574 -11.849 -0.018 129 HE2 TYR 16 HE2 TYR 16 -6.264 -13.555 -3.946 130 HH TYR 16 HH TYR 16 -7.509 -11.371 -3.099 131 H LYS 17 H LYS 17 0.026 -13.055 -1.454 132 HA LYS 17 HA LYS 17 1.739 -15.249 -0.528 133 1HB LYS 17 1HB LYS 17 1.520 -13.915 -2.829 134 2HB LYS 17 2HB LYS 17 2.724 -12.877 -2.067 135 1HG LYS 17 1HG LYS 17 3.295 -15.740 -1.753 136 2HG LYS 17 2HG LYS 17 3.284 -15.209 -3.436 137 1HD LYS 17 1HD LYS 17 4.647 -13.289 -1.724 138 2HD LYS 17 2HD LYS 17 5.383 -14.888 -1.616 139 1HE LYS 17 1HE LYS 17 4.974 -14.684 -4.321 140 2HE LYS 17 2HE LYS 17 5.338 -13.001 -3.888 141 1HZ LYS 17 1HZ LYS 17 7.110 -14.228 -2.382 142 2HZ LYS 17 2HZ LYS 17 7.000 -15.388 -3.613 143 3HZ LYS 17 3HZ LYS 17 7.450 -13.793 -3.989 144 H LEU 18 H LEU 18 1.694 -14.591 1.809 145 HA LEU 18 HA LEU 18 2.620 -12.133 2.847 146 1HB LEU 18 1HB LEU 18 2.809 -15.008 3.779 147 2HB LEU 18 2HB LEU 18 3.281 -13.649 4.800 148 HG LEU 18 HG LEU 18 0.547 -14.157 3.600 149 1HD1 LEU 18 1HD1 LEU 18 1.783 -14.376 6.315 150 2HD1 LEU 18 2HD1 LEU 18 0.103 -13.845 6.209 151 3HD1 LEU 18 3HD1 LEU 18 0.577 -15.408 5.546 152 1HD2 LEU 18 1HD2 LEU 18 1.801 -11.730 4.844 153 2HD2 LEU 18 2HD2 LEU 18 0.690 -11.834 3.478 154 3HD2 LEU 18 3HD2 LEU 18 0.090 -12.048 5.122 155 H GLY 19 H GLY 19 4.737 -11.479 3.570 156 1HA GLY 19 1HA GLY 19 7.144 -11.915 3.796 157 2HA GLY 19 2HA GLY 19 7.011 -13.059 2.467 158 H GLU 20 H GLU 20 8.842 -11.767 1.618 159 HA GLU 20 HA GLU 20 8.668 -9.037 0.845 160 1HB GLU 20 1HB GLU 20 10.085 -11.267 -0.638 161 2HB GLU 20 2HB GLU 20 10.582 -9.579 -0.504 162 1HG GLU 20 1HG GLU 20 10.304 -10.457 2.146 163 2HG GLU 20 2HG GLU 20 11.106 -11.787 1.309 164 H ASN 21 H ASN 21 6.420 -8.863 0.026 165 HA ASN 21 HA ASN 21 5.699 -10.268 -2.453 166 1HB ASN 21 1HB ASN 21 4.228 -9.464 -0.453 167 2HB ASN 21 2HB ASN 21 4.307 -7.884 -1.234 168 1HD2 ASN 21 2HD2 ASN 21 2.568 -10.807 -1.189 169 2HD2 ASN 21 1HD2 ASN 21 1.768 -10.638 -2.676 170 H ASP 22 H ASP 22 7.391 -9.508 -3.900 171 HA ASP 22 HA ASP 22 8.282 -6.922 -4.385 172 1HB ASP 22 1HB ASP 22 7.623 -9.229 -6.231 173 2HB ASP 22 2HB ASP 22 8.489 -7.794 -6.779 174 H PHE 23 H PHE 23 5.357 -8.430 -5.826 175 HA PHE 23 HA PHE 23 4.449 -6.438 -7.506 176 1HB PHE 23 1HB PHE 23 3.435 -8.709 -6.322 177 2HB PHE 23 2HB PHE 23 2.382 -7.455 -5.667 178 HD1 PHE 23 HD1 PHE 23 1.485 -5.691 -7.394 179 HD2 PHE 23 HD2 PHE 23 3.001 -9.565 -8.462 180 HE1 PHE 23 HE1 PHE 23 0.279 -5.568 -9.557 181 HE2 PHE 23 HE2 PHE 23 1.796 -9.441 -10.626 182 HZ PHE 23 HZ PHE 23 0.435 -7.441 -11.174 183 H CYS 24 H CYS 24 3.764 -6.536 -3.978 184 HA CYS 24 HA CYS 24 2.462 -4.003 -3.838 185 1HB CYS 24 1HB CYS 24 2.636 -5.922 -2.135 186 2HB CYS 24 2HB CYS 24 4.203 -5.243 -1.695 187 H ASN 25 H ASN 25 5.861 -4.825 -3.019 188 HA ASN 25 HA ASN 25 6.859 -2.268 -2.492 189 1HB ASN 25 1HB ASN 25 7.951 -4.768 -3.761 190 2HB ASN 25 2HB ASN 25 8.979 -3.341 -3.630 191 1HD2 ASN 25 2HD2 ASN 25 8.141 -6.134 -1.983 192 2HD2 ASN 25 1HD2 ASN 25 8.519 -5.638 -0.405 193 H ARG 26 H ARG 26 6.798 -3.889 -5.692 194 HA ARG 26 HA ARG 26 7.766 -1.725 -7.238 195 1HB ARG 26 1HB ARG 26 7.566 -3.917 -8.177 196 2HB ARG 26 2HB ARG 26 5.853 -4.011 -7.765 197 1HG ARG 26 1HG ARG 26 6.805 -1.808 -9.562 198 2HG ARG 26 2HG ARG 26 6.578 -3.425 -10.231 199 1HD ARG 26 1HD ARG 26 4.277 -3.083 -8.743 200 2HD ARG 26 2HD ARG 26 4.556 -1.455 -9.387 201 HE ARG 26 HE ARG 26 3.665 -3.711 -10.906 202 1HH1 ARG 26 1HH1 ARG 26 5.977 -1.144 -11.054 203 2HH1 ARG 26 2HH1 ARG 26 6.270 -1.343 -12.745 204 1HH2 ARG 26 1HH2 ARG 26 4.021 -3.950 -13.112 205 2HH2 ARG 26 2HH2 ARG 26 5.156 -2.914 -13.912 206 H GLU 27 H GLU 27 4.520 -2.432 -6.024 207 HA GLU 27 HA GLU 27 3.243 -0.258 -7.512 208 1HB GLU 27 1HB GLU 27 2.497 -2.244 -5.374 209 2HB GLU 27 2HB GLU 27 1.391 -0.935 -5.788 210 1HG GLU 27 1HG GLU 27 2.534 -2.957 -7.739 211 2HG GLU 27 2HG GLU 27 0.887 -2.958 -7.107 212 H CYS 28 H CYS 28 3.542 -0.846 -3.992 213 HA CYS 28 HA CYS 28 2.917 1.775 -3.146 214 1HB CYS 28 1HB CYS 28 3.097 -0.379 -1.829 215 2HB CYS 28 2HB CYS 28 4.848 -0.165 -1.849 216 H LYS 29 H LYS 29 5.857 0.585 -4.598 217 HA LYS 29 HA LYS 29 7.430 2.906 -3.609 218 1HB LYS 29 1HB LYS 29 8.335 0.571 -3.674 219 2HB LYS 29 2HB LYS 29 8.182 0.598 -5.431 220 1HG LYS 29 1HG LYS 29 10.478 1.176 -4.767 221 2HG LYS 29 2HG LYS 29 9.691 2.563 -5.521 222 1HD LYS 29 1HD LYS 29 9.184 3.508 -3.320 223 2HD LYS 29 2HD LYS 29 9.889 2.098 -2.530 224 1HE LYS 29 1HE LYS 29 11.431 4.126 -2.685 225 2HE LYS 29 2HE LYS 29 12.096 2.639 -3.389 226 1HZ LYS 29 1HZ LYS 29 10.457 4.467 -5.024 227 2HZ LYS 29 2HZ LYS 29 12.112 4.779 -4.804 228 3HZ LYS 29 3HZ LYS 29 11.613 3.330 -5.530 229 H TRP 30 H TRP 30 5.234 2.460 -6.019 230 HA TRP 30 HA TRP 30 6.736 3.773 -8.186 231 1HB TRP 30 1HB TRP 30 4.885 3.180 -9.497 232 2HB TRP 30 2HB TRP 30 4.950 1.897 -8.297 233 HD1 TRP 30 HD1 TRP 30 2.298 2.684 -9.817 234 HE1 TRP 30 HE1 TRP 30 0.232 3.427 -8.479 235 HE3 TRP 30 HE3 TRP 30 4.522 4.180 -5.441 236 HZ2 TRP 30 HZ2 TRP 30 -0.408 4.508 -5.923 237 HZ3 TRP 30 HZ3 TRP 30 3.147 5.053 -3.584 238 HH2 TRP 30 HH2 TRP 30 0.687 5.223 -3.816 239 H LYS 31 H LYS 31 6.649 5.443 -5.931 240 HA LYS 31 HA LYS 31 5.041 7.702 -7.015 241 1HB LYS 31 1HB LYS 31 4.541 6.146 -4.584 242 2HB LYS 31 2HB LYS 31 4.679 7.875 -4.266 243 1HG LYS 31 1HG LYS 31 2.944 6.765 -6.482 244 2HG LYS 31 2HG LYS 31 2.337 7.041 -4.848 245 1HD LYS 31 1HD LYS 31 2.967 9.414 -4.998 246 2HD LYS 31 2HD LYS 31 3.610 9.150 -6.619 247 1HE LYS 31 1HE LYS 31 0.811 8.240 -6.190 248 2HE LYS 31 2HE LYS 31 1.071 9.996 -6.187 249 1HZ LYS 31 1HZ LYS 31 2.515 9.581 -8.212 250 2HZ LYS 31 2HZ LYS 31 1.805 8.042 -8.289 251 3HZ LYS 31 3HZ LYS 31 0.837 9.430 -8.438 252 H HIS 32 H HIS 32 5.546 9.641 -5.256 253 HA HIS 32 HA HIS 32 8.463 9.569 -4.598 254 1HB HIS 32 1HB HIS 32 7.319 10.792 -6.833 255 2HB HIS 32 2HB HIS 32 7.523 12.116 -5.686 256 HD1 HIS 32 HD1 HIS 32 9.879 12.935 -5.246 257 HD2 HIS 32 HD2 HIS 32 9.815 9.403 -7.457 258 HE1 HIS 32 HE1 HIS 32 12.257 12.533 -6.017 259 H ILE 33 H ILE 33 6.602 9.256 -2.630 260 HA ILE 33 HA ILE 33 6.238 11.983 -1.436 261 HB ILE 33 HB ILE 33 4.807 9.419 -0.700 262 1HG1 ILE 33 1HG1 ILE 33 4.435 9.708 -3.077 263 2HG1 ILE 33 2HG1 ILE 33 2.984 10.255 -2.235 264 1HG2 ILE 33 1HG2 ILE 33 4.760 11.556 0.740 265 2HG2 ILE 33 2HG2 ILE 33 3.815 12.270 -0.567 266 3HG2 ILE 33 3HG2 ILE 33 3.204 10.857 0.295 267 1HD1 ILE 33 1HD1 ILE 33 4.610 12.524 -2.343 268 2HD1 ILE 33 2HD1 ILE 33 4.812 11.767 -3.925 269 3HD1 ILE 33 3HD1 ILE 33 3.201 12.202 -3.354 270 H GLY 34 H GLY 34 7.175 8.613 -0.711 271 1HA GLY 34 1HA GLY 34 9.372 8.939 0.834 272 2HA GLY 34 2HA GLY 34 8.106 9.393 1.975 273 H GLY 35 H GLY 35 9.678 6.757 0.391 274 1HA GLY 35 1HA GLY 35 8.082 4.876 2.051 275 2HA GLY 35 2HA GLY 35 8.212 4.551 0.320 276 H SER 36 H SER 36 9.499 3.610 3.163 277 HA SER 36 HA SER 36 12.302 3.420 2.165 278 1HB SER 36 1HB SER 36 12.824 3.636 4.359 279 2HB SER 36 2HB SER 36 11.130 4.037 4.612 280 HG SER 36 HG SER 36 12.506 1.872 5.406 281 H TYR 37 H TYR 37 9.703 1.354 3.526 282 HA TYR 37 HA TYR 37 10.818 -0.930 1.965 283 1HB TYR 37 1HB TYR 37 11.580 -0.607 4.492 284 2HB TYR 37 2HB TYR 37 10.008 -1.332 4.824 285 HD1 TYR 37 HD1 TYR 37 13.168 -1.837 2.896 286 HD2 TYR 37 HD2 TYR 37 9.682 -3.662 4.617 287 HE1 TYR 37 HE1 TYR 37 14.099 -4.081 2.402 288 HE2 TYR 37 HE2 TYR 37 10.612 -5.907 4.122 289 HH TYR 37 HH TYR 37 13.156 -6.420 2.024 290 H GLY 38 H GLY 38 9.211 -2.397 1.318 291 1HA GLY 38 1HA GLY 38 6.473 -2.039 2.420 292 2HA GLY 38 2HA GLY 38 6.699 -1.878 0.679 293 H TYR 39 H TYR 39 5.221 -3.938 2.308 294 HA TYR 39 HA TYR 39 6.048 -6.260 0.759 295 1HB TYR 39 1HB TYR 39 6.938 -7.568 2.562 296 2HB TYR 39 2HB TYR 39 7.739 -6.001 2.658 297 HD1 TYR 39 HD1 TYR 39 6.288 -4.184 4.055 298 HD2 TYR 39 HD2 TYR 39 6.145 -8.445 4.570 299 HE1 TYR 39 HE1 TYR 39 5.431 -3.875 6.361 300 HE2 TYR 39 HE2 TYR 39 5.288 -8.137 6.878 301 HH TYR 39 HH TYR 39 5.556 -5.503 8.598 302 H CYS 40 H CYS 40 4.657 -8.198 1.400 303 HA CYS 40 HA CYS 40 1.916 -7.289 1.916 304 1HB CYS 40 1HB CYS 40 2.491 -8.931 0.176 305 2HB CYS 40 2HB CYS 40 3.153 -10.013 1.402 306 H TYR 41 H TYR 41 1.154 -7.118 3.981 307 HA TYR 41 HA TYR 41 2.077 -9.132 6.002 308 1HB TYR 41 1HB TYR 41 3.140 -6.921 6.316 309 2HB TYR 41 2HB TYR 41 1.548 -6.162 6.352 310 HD1 TYR 41 HD1 TYR 41 0.005 -6.545 8.237 311 HD2 TYR 41 HD2 TYR 41 3.959 -8.225 8.196 312 HE1 TYR 41 HE1 TYR 41 -0.173 -7.027 10.664 313 HE2 TYR 41 HE2 TYR 41 3.778 -8.708 10.621 314 HH TYR 41 HH TYR 41 0.987 -7.628 12.507 315 H GLY 42 H GLY 42 0.436 -9.835 7.454 316 1HA GLY 42 1HA GLY 42 -1.789 -10.464 7.924 317 2HA GLY 42 2HA GLY 42 -2.049 -8.720 7.982 318 H PHE 43 H PHE 43 -1.040 -10.446 5.085 319 HA PHE 43 HA PHE 43 -2.144 -10.749 3.016 320 1HB PHE 43 1HB PHE 43 -4.659 -10.440 4.675 321 2HB PHE 43 2HB PHE 43 -4.451 -11.380 3.196 322 HD1 PHE 43 HD1 PHE 43 -2.069 -12.908 3.530 323 HD2 PHE 43 HD2 PHE 43 -4.996 -11.857 6.494 324 HE1 PHE 43 HE1 PHE 43 -1.417 -14.888 4.877 325 HE2 PHE 43 HE2 PHE 43 -4.343 -13.836 7.840 326 HZ PHE 43 HZ PHE 43 -2.555 -15.351 7.031 327 H GLY 44 H GLY 44 -1.228 -8.311 2.996 328 1HA GLY 44 1HA GLY 44 -3.081 -6.737 1.530 329 2HA GLY 44 2HA GLY 44 -3.057 -6.130 3.186 330 H CYS 45 H CYS 45 -2.170 -4.537 1.057 331 HA CYS 45 HA CYS 45 0.756 -4.682 0.870 332 1HB CYS 45 1HB CYS 45 -1.504 -3.319 -0.360 333 2HB CYS 45 2HB CYS 45 -0.178 -2.200 -0.043 334 H TYR 46 H TYR 46 1.733 -4.245 2.858 335 HA TYR 46 HA TYR 46 0.861 -1.778 4.326 336 1HB TYR 46 1HB TYR 46 0.952 -4.239 5.262 337 2HB TYR 46 2HB TYR 46 2.686 -3.938 5.372 338 HD1 TYR 46 HD1 TYR 46 -0.252 -1.668 5.923 339 HD2 TYR 46 HD2 TYR 46 3.197 -3.585 7.626 340 HE1 TYR 46 HE1 TYR 46 -0.603 -0.425 8.041 341 HE2 TYR 46 HE2 TYR 46 2.843 -2.342 9.743 342 HH TYR 46 HH TYR 46 1.331 0.239 10.124 343 H CYS 47 H CYS 47 2.235 -0.039 4.059 344 HA CYS 47 HA CYS 47 5.071 -0.593 3.254 345 1HB CYS 47 1HB CYS 47 3.322 1.861 2.886 346 2HB CYS 47 2HB CYS 47 4.940 1.634 2.219 347 H GLU 48 H GLU 48 6.720 0.279 4.493 348 HA GLU 48 HA GLU 48 5.900 1.738 6.977 349 1HB GLU 48 1HB GLU 48 8.337 0.046 6.326 350 2HB GLU 48 2HB GLU 48 7.970 0.747 7.903 351 1HG GLU 48 1HG GLU 48 6.528 -0.917 8.402 352 2HG GLU 48 2HG GLU 48 5.712 -0.763 6.845 353 H GLY 49 H GLY 49 6.244 3.922 6.630 354 1HA GLY 49 1HA GLY 49 8.383 5.416 6.702 355 2HA GLY 49 2HA GLY 49 8.680 4.729 5.108 356 H LEU 50 H LEU 50 5.363 5.358 5.970 357 HA LEU 50 HA LEU 50 5.227 7.399 3.849 358 1HB LEU 50 1HB LEU 50 3.011 6.366 5.629 359 2HB LEU 50 2HB LEU 50 2.874 7.003 3.995 360 HG LEU 50 HG LEU 50 2.762 4.773 3.491 361 1HD1 LEU 50 1HD1 LEU 50 5.166 5.832 2.856 362 2HD1 LEU 50 2HD1 LEU 50 5.684 4.444 3.812 363 3HD1 LEU 50 3HD1 LEU 50 4.672 4.205 2.388 364 1HD2 LEU 50 1HD2 LEU 50 3.391 4.459 6.164 365 2HD2 LEU 50 2HD2 LEU 50 3.028 3.152 5.036 366 3HD2 LEU 50 3HD2 LEU 50 4.702 3.612 5.344 367 HA PRO 51 HA PRO 51 5.799 10.630 6.946 368 1HB PRO 51 1HB PRO 51 4.585 12.419 4.990 369 2HB PRO 51 2HB PRO 51 6.254 12.381 5.568 370 1HG PRO 51 1HG PRO 51 5.311 11.547 3.021 371 2HG PRO 51 2HG PRO 51 6.942 11.347 3.671 372 1HD PRO 51 1HD PRO 51 4.956 9.298 3.192 373 2HD PRO 51 2HD PRO 51 6.609 9.095 3.822 374 H ASP 52 H ASP 52 4.318 11.940 8.233 375 HA ASP 52 HA ASP 52 1.740 10.832 8.689 376 1HB ASP 52 1HB ASP 52 3.243 13.320 9.431 377 2HB ASP 52 2HB ASP 52 1.530 13.221 9.840 378 H SER 53 H SER 53 2.789 13.511 6.629 379 HA SER 53 HA SER 53 0.147 14.548 6.072 380 1HB SER 53 1HB SER 53 2.197 14.897 4.006 381 2HB SER 53 2HB SER 53 1.388 16.111 4.991 382 HG SER 53 HG SER 53 3.577 16.038 5.511 383 H THR 54 H THR 54 1.989 11.850 4.858 384 HA THR 54 HA THR 54 0.730 11.575 2.278 385 HB THR 54 HB THR 54 1.830 9.362 4.027 386 HG1 THR 54 HG1 THR 54 3.283 11.219 2.455 387 1HG2 THR 54 1HG2 THR 54 1.591 9.898 1.073 388 2HG2 THR 54 2HG2 THR 54 2.786 8.759 1.691 389 3HG2 THR 54 3HG2 THR 54 1.069 8.480 1.982 390 H GLN 55 H GLN 55 -1.103 10.369 1.688 391 HA GLN 55 HA GLN 55 -3.081 9.880 3.810 392 1HB GLN 55 1HB GLN 55 -3.352 10.894 1.416 393 2HB GLN 55 2HB GLN 55 -3.361 9.212 0.883 394 1HG GLN 55 1HG GLN 55 -5.657 10.070 1.313 395 2HG GLN 55 2HG GLN 55 -5.243 8.716 2.366 396 1HE2 GLN 55 2HE2 GLN 55 -6.246 9.191 4.345 397 2HE2 GLN 55 1HE2 GLN 55 -6.102 10.671 5.164 398 H THR 56 H THR 56 -4.309 7.745 3.742 399 HA THR 56 HA THR 56 -2.753 5.412 2.793 400 HB THR 56 HB THR 56 -3.366 4.827 5.471 401 HG1 THR 56 HG1 THR 56 -2.807 6.554 6.610 402 1HG2 THR 56 1HG2 THR 56 -1.145 4.892 3.716 403 2HG2 THR 56 2HG2 THR 56 -0.653 5.733 5.187 404 3HG2 THR 56 3HG2 THR 56 -1.259 4.079 5.276 405 H TRP 57 H TRP 57 -4.037 3.485 2.755 406 HA TRP 57 HA TRP 57 -6.878 3.861 2.380 407 1HB TRP 57 1HB TRP 57 -5.055 2.192 1.426 408 2HB TRP 57 2HB TRP 57 -5.538 1.208 2.806 409 HD1 TRP 57 HD1 TRP 57 -6.882 2.699 -0.442 410 HE1 TRP 57 HE1 TRP 57 -9.073 1.492 -1.065 411 HE3 TRP 57 HE3 TRP 57 -7.551 -0.140 3.751 412 HZ2 TRP 57 HZ2 TRP 57 -10.868 -0.424 0.062 413 HZ3 TRP 57 HZ3 TRP 57 -9.510 -1.647 3.947 414 HH2 TRP 57 HH2 TRP 57 -11.168 -1.792 2.110 415 HA PRO 58 HA PRO 58 -8.641 2.833 2.417 416 1HB PRO 58 1HB PRO 58 -11.014 3.494 3.790 417 2HB PRO 58 2HB PRO 58 -10.561 1.898 3.186 418 1HG PRO 58 1HG PRO 58 -10.740 2.788 5.929 419 2HG PRO 58 2HG PRO 58 -10.385 1.168 5.324 420 1HD PRO 58 1HD PRO 58 -8.545 3.097 6.486 421 2HD PRO 58 2HD PRO 58 -8.215 1.421 5.980 422 H LEU 59 H LEU 59 -9.966 4.713 1.533 423 HA LEU 59 HA LEU 59 -8.816 7.273 2.464 424 1HB LEU 59 1HB LEU 59 -10.602 6.498 0.136 425 2HB LEU 59 2HB LEU 59 -9.808 8.055 0.331 426 HG LEU 59 HG LEU 59 -8.093 5.621 0.475 427 1HD1 LEU 59 1HD1 LEU 59 -9.880 5.976 -1.670 428 2HD1 LEU 59 2HD1 LEU 59 -8.326 6.571 -2.254 429 3HD1 LEU 59 3HD1 LEU 59 -8.466 4.924 -1.638 430 1HD2 LEU 59 1HD2 LEU 59 -7.754 8.412 0.332 431 2HD2 LEU 59 2HD2 LEU 59 -6.490 7.188 0.212 432 3HD2 LEU 59 3HD2 LEU 59 -7.263 7.803 -1.249 433 HA PRO 60 HA PRO 60 -12.383 8.791 4.553 434 1HB PRO 60 1HB PRO 60 -12.553 11.254 3.094 435 2HB PRO 60 2HB PRO 60 -11.826 10.980 4.680 436 1HG PRO 60 1HG PRO 60 -10.486 11.522 2.200 437 2HG PRO 60 2HG PRO 60 -9.765 11.256 3.790 438 1HD PRO 60 1HD PRO 60 -9.732 9.486 1.514 439 2HD PRO 60 2HD PRO 60 -9.016 9.210 3.120 440 H ASN 61 H ASN 61 -14.372 10.499 3.548 441 HA ASN 61 HA ASN 61 -16.329 8.907 2.449 442 1HB ASN 61 1HB ASN 61 -15.625 11.804 2.358 443 2HB ASN 61 2HB ASN 61 -16.890 11.265 1.252 444 1HD2 ASN 61 2HD2 ASN 61 -16.401 9.596 4.319 445 2HD2 ASN 61 1HD2 ASN 61 -17.818 10.159 5.061 446 H LYS 62 H LYS 62 -13.599 10.353 0.807 447 HA LYS 62 HA LYS 62 -14.583 9.544 -1.874 448 1HB LYS 62 1HB LYS 62 -12.440 10.651 -2.564 449 2HB LYS 62 2HB LYS 62 -13.460 11.695 -1.574 450 1HG LYS 62 1HG LYS 62 -11.933 11.780 0.090 451 2HG LYS 62 2HG LYS 62 -11.663 10.037 0.031 452 1HD LYS 62 1HD LYS 62 -9.693 10.414 -0.987 453 2HD LYS 62 2HD LYS 62 -10.568 11.102 -2.355 454 1HE LYS 62 1HE LYS 62 -9.325 12.970 -1.784 455 2HE LYS 62 2HE LYS 62 -10.668 13.211 -0.648 456 1HZ LYS 62 1HZ LYS 62 -9.219 11.461 0.706 457 2HZ LYS 62 2HZ LYS 62 -7.970 12.229 -0.145 458 3HZ LYS 62 3HZ LYS 62 -8.997 13.139 0.857 459 H THR 63 H THR 63 -14.553 7.189 -1.479 460 HA THR 63 HA THR 63 -11.815 6.023 -1.166 461 HB THR 63 HB THR 63 -13.701 5.461 0.426 462 HG1 THR 63 HG1 THR 63 -12.267 3.905 0.484 463 1HG2 THR 63 1HG2 THR 63 -15.263 5.356 -1.760 464 2HG2 THR 63 2HG2 THR 63 -14.835 3.648 -1.638 465 3HG2 THR 63 3HG2 THR 63 -15.635 4.455 -0.289 466 H CYS 64 H CYS 64 -12.292 3.541 -2.224 467 HA CYS 64 HA CYS 64 -12.429 4.143 -5.138 468 1HB CYS 64 1HB CYS 64 -10.474 2.994 -3.996 469 2HB CYS 64 2HB CYS 64 -11.549 1.631 -3.685 Start of MODEL 35 1 1H LYS 1 1H LYS 1 6.424 7.826 7.997 2 2H LYS 1 2H LYS 1 5.491 9.143 8.524 3 3H LYS 1 3H LYS 1 6.656 8.465 9.553 4 HA LYS 1 HA LYS 1 5.319 6.784 10.209 5 1HB LYS 1 1HB LYS 1 3.070 7.622 10.384 6 2HB LYS 1 2HB LYS 1 4.127 9.034 10.364 7 1HG LYS 1 1HG LYS 1 3.744 9.194 7.878 8 2HG LYS 1 2HG LYS 1 2.545 7.911 8.037 9 1HD LYS 1 1HD LYS 1 1.326 9.324 9.708 10 2HD LYS 1 2HD LYS 1 2.469 10.627 9.380 11 1HE LYS 1 1HE LYS 1 1.392 9.550 6.897 12 2HE LYS 1 2HE LYS 1 0.098 10.126 7.967 13 1HZ LYS 1 1HZ LYS 1 1.831 12.048 8.361 14 2HZ LYS 1 2HZ LYS 1 2.343 11.606 6.805 15 3HZ LYS 1 3HZ LYS 1 0.737 12.101 7.063 16 H ASP 2 H ASP 2 4.728 4.770 9.468 17 HA ASP 2 HA ASP 2 4.525 4.269 6.602 18 1HB ASP 2 1HB ASP 2 3.874 2.412 8.904 19 2HB ASP 2 2HB ASP 2 4.478 1.980 7.304 20 H GLY 3 H GLY 3 2.613 3.078 5.686 21 1HA GLY 3 1HA GLY 3 0.047 3.471 7.089 22 2HA GLY 3 2HA GLY 3 0.254 4.383 5.595 23 H TYR 4 H TYR 4 -1.634 3.025 4.937 24 HA TYR 4 HA TYR 4 -0.755 0.309 4.003 25 1HB TYR 4 1HB TYR 4 -3.031 1.280 5.486 26 2HB TYR 4 2HB TYR 4 -3.581 0.575 3.965 27 HD1 TYR 4 HD1 TYR 4 -1.946 -1.614 3.348 28 HD2 TYR 4 HD2 TYR 4 -3.104 -0.240 7.248 29 HE1 TYR 4 HE1 TYR 4 -1.570 -3.889 4.259 30 HE2 TYR 4 HE2 TYR 4 -2.730 -2.515 8.161 31 HH TYR 4 HH TYR 4 -2.381 -4.679 7.615 32 H LEU 5 H LEU 5 -0.458 0.273 1.812 33 HA LEU 5 HA LEU 5 -1.078 2.379 0.028 34 1HB LEU 5 1HB LEU 5 -0.127 -0.384 -0.027 35 2HB LEU 5 2HB LEU 5 -1.048 0.030 -1.473 36 HG LEU 5 HG LEU 5 1.243 1.672 -0.358 37 1HD1 LEU 5 1HD1 LEU 5 1.816 -0.615 -1.348 38 2HD1 LEU 5 2HD1 LEU 5 1.208 0.005 -2.883 39 3HD1 LEU 5 3HD1 LEU 5 2.596 0.771 -2.110 40 1HD2 LEU 5 1HD2 LEU 5 -0.808 2.556 -1.893 41 2HD2 LEU 5 2HD2 LEU 5 0.833 3.186 -2.033 42 3HD2 LEU 5 3HD2 LEU 5 0.266 1.946 -3.152 43 H VAL 6 H VAL 6 -2.750 2.615 -1.528 44 HA VAL 6 HA VAL 6 -5.287 1.136 -0.902 45 HB VAL 6 HB VAL 6 -6.382 3.210 -1.620 46 1HG1 VAL 6 1HG1 VAL 6 -5.367 2.964 0.724 47 2HG1 VAL 6 2HG1 VAL 6 -4.065 4.005 0.149 48 3HG1 VAL 6 3HG1 VAL 6 -5.722 4.608 0.191 49 1HG2 VAL 6 1HG2 VAL 6 -3.816 3.622 -2.883 50 2HG2 VAL 6 2HG2 VAL 6 -5.324 4.503 -3.133 51 3HG2 VAL 6 3HG2 VAL 6 -4.209 5.006 -1.863 52 H GLU 7 H GLU 7 -6.744 1.759 -3.132 53 HA GLU 7 HA GLU 7 -5.123 0.607 -5.383 54 1HB GLU 7 1HB GLU 7 -7.296 -0.452 -4.036 55 2HB GLU 7 2HB GLU 7 -8.044 0.279 -5.456 56 1HG GLU 7 1HG GLU 7 -5.768 -0.963 -6.474 57 2HG GLU 7 2HG GLU 7 -6.369 -2.105 -5.272 58 H LYS 8 H LYS 8 -5.894 1.289 -7.567 59 HA LYS 8 HA LYS 8 -6.010 4.019 -8.024 60 1HB LYS 8 1HB LYS 8 -7.306 1.706 -9.494 61 2HB LYS 8 2HB LYS 8 -7.153 3.324 -10.181 62 1HG LYS 8 1HG LYS 8 -4.845 3.180 -10.365 63 2HG LYS 8 2HG LYS 8 -4.709 2.019 -9.044 64 1HD LYS 8 1HD LYS 8 -4.482 0.470 -10.685 65 2HD LYS 8 2HD LYS 8 -6.229 0.628 -10.865 66 1HE LYS 8 1HE LYS 8 -6.049 1.963 -12.768 67 2HE LYS 8 2HE LYS 8 -4.444 2.569 -12.313 68 1HZ LYS 8 1HZ LYS 8 -4.680 -0.308 -12.647 69 2HZ LYS 8 2HZ LYS 8 -4.805 0.606 -14.074 70 3HZ LYS 8 3HZ LYS 8 -3.420 0.734 -13.098 71 H THR 9 H THR 9 -8.706 1.878 -7.181 72 HA THR 9 HA THR 9 -10.696 4.036 -7.504 73 HB THR 9 HB THR 9 -12.208 2.167 -6.742 74 HG1 THR 9 HG1 THR 9 -9.988 0.478 -6.972 75 1HG2 THR 9 1HG2 THR 9 -10.264 1.723 -9.011 76 2HG2 THR 9 2HG2 THR 9 -11.655 0.672 -8.740 77 3HG2 THR 9 3HG2 THR 9 -11.897 2.382 -9.096 78 H GLY 10 H GLY 10 -8.649 2.757 -5.036 79 1HA GLY 10 1HA GLY 10 -8.394 4.108 -2.979 80 2HA GLY 10 2HA GLY 10 -10.138 4.366 -3.003 81 H CYS 11 H CYS 11 -8.952 1.205 -3.803 82 HA CYS 11 HA CYS 11 -10.124 0.190 -1.255 83 1HB CYS 11 1HB CYS 11 -9.399 -1.140 -3.886 84 2HB CYS 11 2HB CYS 11 -10.189 -1.949 -2.532 85 H LYS 12 H LYS 12 -8.945 -1.821 -0.376 86 HA LYS 12 HA LYS 12 -6.220 -1.122 0.270 87 1HB LYS 12 1HB LYS 12 -7.785 -3.696 0.637 88 2HB LYS 12 2HB LYS 12 -6.334 -3.238 1.525 89 1HG LYS 12 1HG LYS 12 -7.445 -1.432 2.614 90 2HG LYS 12 2HG LYS 12 -8.821 -1.523 1.514 91 1HD LYS 12 1HD LYS 12 -8.430 -4.092 2.753 92 2HD LYS 12 2HD LYS 12 -8.516 -2.849 4.002 93 1HE LYS 12 1HE LYS 12 -10.788 -3.251 3.714 94 2HE LYS 12 2HE LYS 12 -10.563 -2.015 2.460 95 1HZ LYS 12 1HZ LYS 12 -10.227 -4.933 2.015 96 2HZ LYS 12 2HZ LYS 12 -11.630 -4.062 1.612 97 3HZ LYS 12 3HZ LYS 12 -10.158 -3.713 0.838 98 H LYS 13 H LYS 13 -4.442 -2.832 0.015 99 HA LYS 13 HA LYS 13 -4.528 -4.023 -2.740 100 1HB LYS 13 1HB LYS 13 -2.714 -2.177 -1.353 101 2HB LYS 13 2HB LYS 13 -1.870 -3.545 -2.081 102 1HG LYS 13 1HG LYS 13 -3.945 -2.018 -3.643 103 2HG LYS 13 2HG LYS 13 -2.283 -1.435 -3.546 104 1HD LYS 13 1HD LYS 13 -2.392 -4.291 -4.122 105 2HD LYS 13 2HD LYS 13 -3.248 -3.343 -5.338 106 1HE LYS 13 1HE LYS 13 -1.233 -2.849 -6.253 107 2HE LYS 13 2HE LYS 13 -0.866 -1.913 -4.790 108 1HZ LYS 13 1HZ LYS 13 -0.673 -4.826 -4.624 109 2HZ LYS 13 2HZ LYS 13 0.555 -4.018 -5.469 110 3HZ LYS 13 3HZ LYS 13 0.250 -3.634 -3.842 111 H THR 14 H THR 14 -5.425 -5.746 -0.961 112 HA THR 14 HA THR 14 -3.886 -7.129 0.867 113 HB THR 14 HB THR 14 -5.563 -8.456 -1.270 114 HG1 THR 14 HG1 THR 14 -6.921 -6.934 -0.687 115 1HG2 THR 14 1HG2 THR 14 -4.298 -9.597 0.793 116 2HG2 THR 14 2HG2 THR 14 -5.738 -9.044 1.648 117 3HG2 THR 14 3HG2 THR 14 -5.894 -10.136 0.271 118 H CYS 15 H CYS 15 -2.494 -8.989 0.734 119 HA CYS 15 HA CYS 15 -1.129 -9.380 -1.909 120 1HB CYS 15 1HB CYS 15 0.942 -9.684 -0.407 121 2HB CYS 15 2HB CYS 15 0.320 -8.042 -0.553 122 H TYR 16 H TYR 16 -0.252 -11.566 -2.187 123 HA TYR 16 HA TYR 16 -1.674 -13.584 -0.492 124 1HB TYR 16 1HB TYR 16 -0.705 -13.415 -3.334 125 2HB TYR 16 2HB TYR 16 -0.975 -14.995 -2.603 126 HD1 TYR 16 HD1 TYR 16 -3.100 -12.589 -1.079 127 HD2 TYR 16 HD2 TYR 16 -2.698 -15.003 -4.613 128 HE1 TYR 16 HE1 TYR 16 -5.532 -12.376 -1.502 129 HE2 TYR 16 HE2 TYR 16 -5.133 -14.786 -5.032 130 HH TYR 16 HH TYR 16 -7.209 -14.328 -3.622 131 H LYS 17 H LYS 17 1.445 -12.317 -1.141 132 HA LYS 17 HA LYS 17 2.739 -14.807 -0.084 133 1HB LYS 17 1HB LYS 17 3.388 -12.764 -2.117 134 2HB LYS 17 2HB LYS 17 4.742 -13.223 -1.084 135 1HG LYS 17 1HG LYS 17 4.953 -15.198 -2.143 136 2HG LYS 17 2HG LYS 17 3.250 -15.571 -1.871 137 1HD LYS 17 1HD LYS 17 4.174 -13.691 -4.052 138 2HD LYS 17 2HD LYS 17 3.969 -15.424 -4.315 139 1HE LYS 17 1HE LYS 17 1.602 -15.269 -3.649 140 2HE LYS 17 2HE LYS 17 1.796 -13.533 -3.333 141 1HZ LYS 17 1HZ LYS 17 2.736 -14.539 -5.907 142 2HZ LYS 17 2HZ LYS 17 1.052 -14.448 -5.694 143 3HZ LYS 17 3HZ LYS 17 2.004 -13.054 -5.526 144 H LEU 18 H LEU 18 2.407 -14.282 2.161 145 HA LEU 18 HA LEU 18 2.912 -11.776 3.398 146 1HB LEU 18 1HB LEU 18 3.095 -14.659 4.304 147 2HB LEU 18 2HB LEU 18 3.290 -13.308 5.421 148 HG LEU 18 HG LEU 18 0.861 -13.893 3.705 149 1HD1 LEU 18 1HD1 LEU 18 1.662 -14.556 6.425 150 2HD1 LEU 18 2HD1 LEU 18 0.170 -13.615 6.403 151 3HD1 LEU 18 3HD1 LEU 18 0.273 -15.127 5.501 152 1HD2 LEU 18 1HD2 LEU 18 1.843 -11.425 4.883 153 2HD2 LEU 18 2HD2 LEU 18 0.443 -11.680 3.843 154 3HD2 LEU 18 3HD2 LEU 18 0.293 -11.884 5.587 155 H GLY 19 H GLY 19 4.808 -10.836 4.200 156 1HA GLY 19 1HA GLY 19 7.161 -11.210 5.001 157 2HA GLY 19 2HA GLY 19 7.355 -12.302 3.631 158 H GLU 20 H GLU 20 9.238 -10.689 3.320 159 HA GLU 20 HA GLU 20 8.824 -7.997 2.500 160 1HB GLU 20 1HB GLU 20 10.983 -9.189 3.050 161 2HB GLU 20 2HB GLU 20 10.884 -9.971 1.471 162 1HG GLU 20 1HG GLU 20 10.654 -7.584 0.513 163 2HG GLU 20 2HG GLU 20 11.232 -7.037 2.087 164 H ASN 21 H ASN 21 6.798 -8.250 1.188 165 HA ASN 21 HA ASN 21 6.791 -9.716 -1.305 166 1HB ASN 21 1HB ASN 21 4.931 -8.637 0.299 167 2HB ASN 21 2HB ASN 21 5.086 -7.305 -0.848 168 1HD2 ASN 21 2HD2 ASN 21 3.533 -10.290 -0.335 169 2HD2 ASN 21 1HD2 ASN 21 3.021 -10.574 -1.929 170 H ASP 22 H ASP 22 8.839 -8.955 -2.299 171 HA ASP 22 HA ASP 22 9.567 -6.296 -2.842 172 1HB ASP 22 1HB ASP 22 9.967 -8.982 -4.056 173 2HB ASP 22 2HB ASP 22 10.371 -7.600 -5.077 174 H PHE 23 H PHE 23 7.026 -8.248 -4.291 175 HA PHE 23 HA PHE 23 6.597 -6.719 -6.674 176 1HB PHE 23 1HB PHE 23 5.428 -8.881 -5.205 177 2HB PHE 23 2HB PHE 23 4.143 -7.739 -5.605 178 HD1 PHE 23 HD1 PHE 23 5.155 -6.586 -8.138 179 HD2 PHE 23 HD2 PHE 23 5.132 -10.652 -6.752 180 HE1 PHE 23 HE1 PHE 23 5.176 -7.386 -10.485 181 HE2 PHE 23 HE2 PHE 23 5.152 -11.452 -9.099 182 HZ PHE 23 HZ PHE 23 5.175 -9.819 -10.966 183 H CYS 24 H CYS 24 4.996 -6.535 -3.468 184 HA CYS 24 HA CYS 24 3.473 -4.161 -4.091 185 1HB CYS 24 1HB CYS 24 3.015 -5.849 -2.282 186 2HB CYS 24 2HB CYS 24 4.432 -5.252 -1.419 187 H ASN 25 H ASN 25 6.735 -4.771 -2.999 188 HA ASN 25 HA ASN 25 7.422 -2.251 -1.872 189 1HB ASN 25 1HB ASN 25 8.686 -4.491 -1.988 190 2HB ASN 25 2HB ASN 25 9.186 -3.999 -3.606 191 1HD2 ASN 25 2HD2 ASN 25 11.437 -3.733 -3.008 192 2HD2 ASN 25 1HD2 ASN 25 11.951 -2.475 -1.991 193 H ARG 26 H ARG 26 8.214 -3.376 -5.194 194 HA ARG 26 HA ARG 26 8.868 -0.806 -6.228 195 1HB ARG 26 1HB ARG 26 9.363 -3.040 -7.252 196 2HB ARG 26 2HB ARG 26 7.652 -3.197 -7.655 197 1HG ARG 26 1HG ARG 26 8.298 -0.681 -8.627 198 2HG ARG 26 2HG ARG 26 9.737 -1.633 -8.991 199 1HD ARG 26 1HD ARG 26 7.270 -3.101 -9.576 200 2HD ARG 26 2HD ARG 26 7.416 -1.604 -10.517 201 HE ARG 26 HE ARG 26 9.965 -2.742 -10.589 202 1HH1 ARG 26 1HH1 ARG 26 6.745 -3.694 -11.403 203 2HH1 ARG 26 2HH1 ARG 26 7.243 -4.752 -12.680 204 1HH2 ARG 26 1HH2 ARG 26 10.623 -4.107 -12.263 205 2HH2 ARG 26 2HH2 ARG 26 9.434 -4.978 -13.173 206 H GLU 27 H GLU 27 5.775 -2.616 -6.274 207 HA GLU 27 HA GLU 27 4.176 -0.829 -7.736 208 1HB GLU 27 1HB GLU 27 3.859 -3.105 -6.200 209 2HB GLU 27 2HB GLU 27 2.951 -1.904 -5.280 210 1HG GLU 27 1HG GLU 27 1.264 -2.058 -6.757 211 2HG GLU 27 2HG GLU 27 2.347 -1.511 -8.038 212 H CYS 28 H CYS 28 5.181 -0.692 -4.330 213 HA CYS 28 HA CYS 28 3.632 1.607 -3.575 214 1HB CYS 28 1HB CYS 28 4.999 -0.160 -2.211 215 2HB CYS 28 2HB CYS 28 6.370 0.909 -2.506 216 H LYS 29 H LYS 29 6.746 1.157 -5.163 217 HA LYS 29 HA LYS 29 7.085 4.127 -5.373 218 1HB LYS 29 1HB LYS 29 8.840 2.591 -4.315 219 2HB LYS 29 2HB LYS 29 9.092 1.927 -5.929 220 1HG LYS 29 1HG LYS 29 9.792 4.050 -6.792 221 2HG LYS 29 2HG LYS 29 9.264 4.887 -5.332 222 1HD LYS 29 1HD LYS 29 11.145 2.734 -4.738 223 2HD LYS 29 2HD LYS 29 11.837 3.939 -5.826 224 1HE LYS 29 1HE LYS 29 11.550 5.690 -4.266 225 2HE LYS 29 2HE LYS 29 10.347 4.778 -3.333 226 1HZ LYS 29 1HZ LYS 29 12.385 3.084 -3.272 227 2HZ LYS 29 2HZ LYS 29 13.250 4.541 -3.339 228 3HZ LYS 29 3HZ LYS 29 12.142 4.270 -2.080 229 H TRP 30 H TRP 30 5.164 2.921 -7.045 230 HA TRP 30 HA TRP 30 6.399 2.304 -9.651 231 1HB TRP 30 1HB TRP 30 4.104 1.613 -8.283 232 2HB TRP 30 2HB TRP 30 3.499 2.774 -9.461 233 HD1 TRP 30 HD1 TRP 30 2.931 -0.392 -9.577 234 HE1 TRP 30 HE1 TRP 30 3.599 -1.681 -11.704 235 HE3 TRP 30 HE3 TRP 30 6.404 2.821 -11.504 236 HZ2 TRP 30 HZ2 TRP 30 5.366 -1.386 -13.935 237 HZ3 TRP 30 HZ3 TRP 30 7.560 2.293 -13.631 238 HH2 TRP 30 HH2 TRP 30 7.047 0.196 -14.848 239 H LYS 31 H LYS 31 5.930 5.154 -8.062 240 HA LYS 31 HA LYS 31 5.929 6.693 -10.560 241 1HB LYS 31 1HB LYS 31 3.864 8.004 -9.664 242 2HB LYS 31 2HB LYS 31 3.585 6.446 -10.437 243 1HG LYS 31 1HG LYS 31 3.828 5.507 -7.982 244 2HG LYS 31 2HG LYS 31 3.445 7.165 -7.525 245 1HD LYS 31 1HD LYS 31 1.282 6.514 -7.745 246 2HD LYS 31 2HD LYS 31 1.575 6.674 -9.478 247 1HE LYS 31 1HE LYS 31 2.144 4.302 -9.648 248 2HE LYS 31 2HE LYS 31 1.991 4.114 -7.890 249 1HZ LYS 31 1HZ LYS 31 -0.309 5.137 -8.220 250 2HZ LYS 31 2HZ LYS 31 -0.120 4.752 -9.861 251 3HZ LYS 31 3HZ LYS 31 -0.101 3.518 -8.693 252 H HIS 32 H HIS 32 7.593 6.293 -8.114 253 HA HIS 32 HA HIS 32 8.721 7.584 -6.470 254 1HB HIS 32 1HB HIS 32 8.344 9.354 -8.898 255 2HB HIS 32 2HB HIS 32 9.427 9.774 -7.570 256 HD1 HIS 32 HD1 HIS 32 11.729 8.819 -7.682 257 HD2 HIS 32 HD2 HIS 32 9.066 6.705 -10.092 258 HE1 HIS 32 HE1 HIS 32 13.106 7.102 -8.935 259 H ILE 33 H ILE 33 6.649 7.617 -5.101 260 HA ILE 33 HA ILE 33 5.491 10.382 -4.993 261 HB ILE 33 HB ILE 33 4.437 7.624 -4.349 262 1HG1 ILE 33 1HG1 ILE 33 4.305 8.591 -6.681 263 2HG1 ILE 33 2HG1 ILE 33 2.736 8.215 -5.967 264 1HG2 ILE 33 1HG2 ILE 33 3.881 9.225 -2.499 265 2HG2 ILE 33 2HG2 ILE 33 3.108 10.269 -3.692 266 3HG2 ILE 33 3HG2 ILE 33 2.462 8.658 -3.380 267 1HD1 ILE 33 1HD1 ILE 33 3.495 10.885 -5.214 268 2HD1 ILE 33 2HD1 ILE 33 3.627 10.719 -6.965 269 3HD1 ILE 33 3HD1 ILE 33 2.099 10.365 -6.158 270 H GLY 34 H GLY 34 6.746 7.673 -3.052 271 1HA GLY 34 1HA GLY 34 8.274 8.924 -1.217 272 2HA GLY 34 2HA GLY 34 6.670 9.321 -0.605 273 H GLY 35 H GLY 35 8.700 6.557 -1.534 274 1HA GLY 35 1HA GLY 35 7.502 5.049 0.726 275 2HA GLY 35 2HA GLY 35 7.452 4.311 -0.875 276 H SER 36 H SER 36 9.077 3.996 1.847 277 HA SER 36 HA SER 36 11.795 3.831 0.609 278 1HB SER 36 1HB SER 36 12.419 4.666 2.616 279 2HB SER 36 2HB SER 36 10.724 4.723 3.089 280 HG SER 36 HG SER 36 11.784 3.415 4.537 281 H TYR 37 H TYR 37 9.891 1.966 3.012 282 HA TYR 37 HA TYR 37 10.915 -0.546 1.722 283 1HB TYR 37 1HB TYR 37 11.210 0.494 4.340 284 2HB TYR 37 2HB TYR 37 10.068 -0.843 4.472 285 HD1 TYR 37 HD1 TYR 37 10.789 -2.919 2.817 286 HD2 TYR 37 HD2 TYR 37 13.440 -0.083 4.657 287 HE1 TYR 37 HE1 TYR 37 12.657 -4.540 2.625 288 HE2 TYR 37 HE2 TYR 37 15.308 -1.703 4.461 289 HH TYR 37 HH TYR 37 15.752 -3.962 4.146 290 H GLY 38 H GLY 38 9.260 -1.745 0.839 291 1HA GLY 38 1HA GLY 38 6.576 -1.574 2.135 292 2HA GLY 38 2HA GLY 38 6.722 -1.394 0.387 293 H TYR 39 H TYR 39 5.484 -3.522 2.232 294 HA TYR 39 HA TYR 39 6.289 -5.815 0.579 295 1HB TYR 39 1HB TYR 39 6.911 -7.128 2.667 296 2HB TYR 39 2HB TYR 39 8.049 -5.854 2.230 297 HD1 TYR 39 HD1 TYR 39 4.898 -6.291 4.226 298 HD2 TYR 39 HD2 TYR 39 8.742 -4.402 3.909 299 HE1 TYR 39 HE1 TYR 39 4.558 -5.230 6.441 300 HE2 TYR 39 HE2 TYR 39 8.403 -3.340 6.125 301 HH TYR 39 HH TYR 39 5.465 -3.987 8.040 302 H CYS 40 H CYS 40 5.173 -7.849 2.106 303 HA CYS 40 HA CYS 40 2.312 -7.005 2.204 304 1HB CYS 40 1HB CYS 40 2.751 -8.798 0.693 305 2HB CYS 40 2HB CYS 40 3.795 -9.618 1.853 306 H TYR 41 H TYR 41 1.179 -7.099 4.121 307 HA TYR 41 HA TYR 41 2.348 -8.554 6.447 308 1HB TYR 41 1HB TYR 41 2.795 -5.892 6.031 309 2HB TYR 41 2HB TYR 41 1.302 -5.829 6.967 310 HD1 TYR 41 HD1 TYR 41 4.292 -8.098 7.054 311 HD2 TYR 41 HD2 TYR 41 1.770 -5.363 9.202 312 HE1 TYR 41 HE1 TYR 41 5.580 -8.538 9.128 313 HE2 TYR 41 HE2 TYR 41 3.057 -5.802 11.273 314 HH TYR 41 HH TYR 41 4.516 -7.374 12.232 315 H GLY 42 H GLY 42 0.699 -9.720 7.362 316 1HA GLY 42 1HA GLY 42 -1.480 -10.420 7.885 317 2HA GLY 42 2HA GLY 42 -1.816 -8.705 8.128 318 H PHE 43 H PHE 43 -0.932 -10.473 5.157 319 HA PHE 43 HA PHE 43 -2.026 -10.549 3.063 320 1HB PHE 43 1HB PHE 43 -4.303 -10.420 5.059 321 2HB PHE 43 2HB PHE 43 -4.557 -10.709 3.338 322 HD1 PHE 43 HD1 PHE 43 -2.488 -11.963 6.205 323 HD2 PHE 43 HD2 PHE 43 -4.515 -12.902 2.537 324 HE1 PHE 43 HE1 PHE 43 -1.967 -14.365 6.533 325 HE2 PHE 43 HE2 PHE 43 -3.995 -15.304 2.865 326 HZ PHE 43 HZ PHE 43 -2.722 -16.036 4.863 327 H GLY 44 H GLY 44 -1.053 -8.000 3.734 328 1HA GLY 44 1HA GLY 44 -2.910 -6.311 2.210 329 2HA GLY 44 2HA GLY 44 -2.623 -5.778 3.865 330 H CYS 45 H CYS 45 -1.859 -4.298 1.512 331 HA CYS 45 HA CYS 45 1.081 -4.631 1.294 332 1HB CYS 45 1HB CYS 45 -1.131 -3.448 -0.215 333 2HB CYS 45 2HB CYS 45 0.273 -2.383 -0.139 334 H TYR 46 H TYR 46 2.155 -3.767 3.038 335 HA TYR 46 HA TYR 46 1.224 -1.144 4.138 336 1HB TYR 46 1HB TYR 46 1.564 -3.444 5.409 337 2HB TYR 46 2HB TYR 46 3.256 -2.951 5.405 338 HD1 TYR 46 HD1 TYR 46 -0.175 -1.842 6.364 339 HD2 TYR 46 HD2 TYR 46 4.051 -1.300 6.908 340 HE1 TYR 46 HE1 TYR 46 -0.616 -0.318 8.271 341 HE2 TYR 46 HE2 TYR 46 3.611 0.223 8.814 342 HH TYR 46 HH TYR 46 0.958 0.364 10.479 343 H CYS 47 H CYS 47 2.518 0.627 3.774 344 HA CYS 47 HA CYS 47 5.319 0.146 2.807 345 1HB CYS 47 1HB CYS 47 3.107 2.024 2.032 346 2HB CYS 47 2HB CYS 47 4.778 2.525 1.778 347 H GLU 48 H GLU 48 6.947 1.448 3.761 348 HA GLU 48 HA GLU 48 6.047 3.113 6.090 349 1HB GLU 48 1HB GLU 48 8.601 1.527 5.661 350 2HB GLU 48 2HB GLU 48 8.162 2.397 7.131 351 1HG GLU 48 1HG GLU 48 7.092 0.552 7.848 352 2HG GLU 48 2HG GLU 48 5.955 0.742 6.513 353 H GLY 49 H GLY 49 6.383 5.263 5.678 354 1HA GLY 49 1HA GLY 49 8.271 6.932 5.442 355 2HA GLY 49 2HA GLY 49 8.766 6.002 4.030 356 H LEU 50 H LEU 50 5.442 6.842 4.922 357 HA LEU 50 HA LEU 50 5.102 8.107 2.259 358 1HB LEU 50 1HB LEU 50 3.169 7.354 4.474 359 2HB LEU 50 2HB LEU 50 2.715 7.864 2.846 360 HG LEU 50 HG LEU 50 4.239 5.910 2.052 361 1HD1 LEU 50 1HD1 LEU 50 4.030 5.478 4.997 362 2HD1 LEU 50 2HD1 LEU 50 3.889 4.059 3.960 363 3HD1 LEU 50 3HD1 LEU 50 5.339 5.059 3.891 364 1HD2 LEU 50 1HD2 LEU 50 1.728 6.030 1.954 365 2HD2 LEU 50 2HD2 LEU 50 2.363 4.395 2.135 366 3HD2 LEU 50 3HD2 LEU 50 1.686 5.238 3.530 367 HA PRO 51 HA PRO 51 5.793 12.009 4.526 368 1HB PRO 51 1HB PRO 51 5.217 13.308 2.008 369 2HB PRO 51 2HB PRO 51 6.768 13.168 2.842 370 1HG PRO 51 1HG PRO 51 5.910 11.790 0.473 371 2HG PRO 51 2HG PRO 51 7.460 11.655 1.307 372 1HD PRO 51 1HD PRO 51 5.374 9.691 1.187 373 2HD PRO 51 2HD PRO 51 6.891 9.605 2.111 374 H ASP 52 H ASP 52 4.370 13.991 4.751 375 HA ASP 52 HA ASP 52 1.641 13.318 5.228 376 1HB ASP 52 1HB ASP 52 3.103 15.160 6.217 377 2HB ASP 52 2HB ASP 52 2.806 16.071 4.736 378 H SER 53 H SER 53 3.226 14.056 2.283 379 HA SER 53 HA SER 53 0.814 15.170 0.974 380 1HB SER 53 1HB SER 53 2.493 15.075 -0.999 381 2HB SER 53 2HB SER 53 2.862 16.171 0.328 382 HG SER 53 HG SER 53 4.077 13.795 -0.445 383 H THR 54 H THR 54 2.326 12.103 1.485 384 HA THR 54 HA THR 54 1.211 10.819 -0.910 385 HB THR 54 HB THR 54 2.388 9.616 1.614 386 HG1 THR 54 HG1 THR 54 3.945 10.931 0.911 387 1HG2 THR 54 1HG2 THR 54 1.221 8.102 -0.033 388 2HG2 THR 54 2HG2 THR 54 2.402 8.609 -1.242 389 3HG2 THR 54 3HG2 THR 54 2.931 7.738 0.198 390 H GLN 55 H GLN 55 -0.681 9.597 -0.981 391 HA GLN 55 HA GLN 55 -2.520 9.850 1.337 392 1HB GLN 55 1HB GLN 55 -3.276 10.511 -0.889 393 2HB GLN 55 2HB GLN 55 -2.837 8.931 -1.539 394 1HG GLN 55 1HG GLN 55 -5.156 8.739 -1.171 395 2HG GLN 55 2HG GLN 55 -4.456 7.986 0.263 396 1HE2 GLN 55 2HE2 GLN 55 -5.947 8.565 1.891 397 2HE2 GLN 55 1HE2 GLN 55 -6.390 10.165 2.244 398 H THR 56 H THR 56 -3.376 8.027 2.406 399 HA THR 56 HA THR 56 -2.361 5.341 1.559 400 HB THR 56 HB THR 56 -0.858 6.042 3.273 401 HG1 THR 56 HG1 THR 56 -2.018 4.877 5.199 402 1HG2 THR 56 1HG2 THR 56 -3.344 7.125 4.606 403 2HG2 THR 56 2HG2 THR 56 -1.813 6.947 5.464 404 3HG2 THR 56 3HG2 THR 56 -1.924 8.022 4.070 405 H TRP 57 H TRP 57 -3.487 3.686 3.226 406 HA TRP 57 HA TRP 57 -6.406 4.142 2.951 407 1HB TRP 57 1HB TRP 57 -4.895 2.056 2.328 408 2HB TRP 57 2HB TRP 57 -5.081 1.671 4.038 409 HD1 TRP 57 HD1 TRP 57 -7.210 2.324 0.896 410 HE1 TRP 57 HE1 TRP 57 -9.479 1.133 1.197 411 HE3 TRP 57 HE3 TRP 57 -6.680 0.611 5.678 412 HZ2 TRP 57 HZ2 TRP 57 -10.881 -0.348 3.204 413 HZ3 TRP 57 HZ3 TRP 57 -8.493 -0.685 6.760 414 HH2 TRP 57 HH2 TRP 57 -10.591 -1.168 5.529 415 HA PRO 58 HA PRO 58 -8.156 3.367 3.707 416 1HB PRO 58 1HB PRO 58 -10.170 4.654 5.186 417 2HB PRO 58 2HB PRO 58 -9.844 2.917 5.161 418 1HG PRO 58 1HG PRO 58 -9.420 4.793 7.326 419 2HG PRO 58 2HG PRO 58 -9.229 3.037 7.338 420 1HD PRO 58 1HD PRO 58 -7.151 5.070 7.271 421 2HD PRO 58 2HD PRO 58 -6.962 3.303 7.391 422 H LEU 59 H LEU 59 -9.748 4.972 2.611 423 HA LEU 59 HA LEU 59 -8.348 7.555 2.221 424 1HB LEU 59 1HB LEU 59 -9.925 5.677 0.707 425 2HB LEU 59 2HB LEU 59 -10.679 7.268 0.611 426 HG LEU 59 HG LEU 59 -8.124 8.007 0.247 427 1HD1 LEU 59 1HD1 LEU 59 -8.216 5.097 -0.195 428 2HD1 LEU 59 2HD1 LEU 59 -7.523 6.005 -1.539 429 3HD1 LEU 59 3HD1 LEU 59 -6.827 6.150 0.075 430 1HD2 LEU 59 1HD2 LEU 59 -10.265 7.092 -1.634 431 2HD2 LEU 59 2HD2 LEU 59 -9.591 8.706 -1.404 432 3HD2 LEU 59 3HD2 LEU 59 -8.684 7.492 -2.306 433 HA PRO 60 HA PRO 60 -11.172 10.279 4.215 434 1HB PRO 60 1HB PRO 60 -12.464 11.311 1.823 435 2HB PRO 60 2HB PRO 60 -11.303 12.112 2.885 436 1HG PRO 60 1HG PRO 60 -10.831 11.107 0.260 437 2HG PRO 60 2HG PRO 60 -9.651 11.810 1.368 438 1HD PRO 60 1HD PRO 60 -9.875 9.058 0.552 439 2HD PRO 60 2HD PRO 60 -8.709 9.760 1.700 440 H ASN 61 H ASN 61 -13.766 11.050 3.740 441 HA ASN 61 HA ASN 61 -15.372 8.898 4.525 442 1HB ASN 61 1HB ASN 61 -15.826 11.433 4.406 443 2HB ASN 61 2HB ASN 61 -16.306 11.150 2.731 444 1HD2 ASN 61 2HD2 ASN 61 -17.912 11.835 5.307 445 2HD2 ASN 61 1HD2 ASN 61 -19.162 10.687 5.308 446 H LYS 62 H LYS 62 -14.317 9.826 1.312 447 HA LYS 62 HA LYS 62 -16.133 7.933 -0.042 448 1HB LYS 62 1HB LYS 62 -15.174 8.883 -2.029 449 2HB LYS 62 2HB LYS 62 -15.326 10.214 -0.882 450 1HG LYS 62 1HG LYS 62 -12.845 9.197 -0.256 451 2HG LYS 62 2HG LYS 62 -12.903 8.982 -2.006 452 1HD LYS 62 1HD LYS 62 -13.647 11.590 -0.666 453 2HD LYS 62 2HD LYS 62 -12.004 11.231 -1.196 454 1HE LYS 62 1HE LYS 62 -12.530 11.484 -3.411 455 2HE LYS 62 2HE LYS 62 -14.125 10.730 -3.215 456 1HZ LYS 62 1HZ LYS 62 -13.777 13.200 -1.757 457 2HZ LYS 62 2HZ LYS 62 -13.724 13.385 -3.445 458 3HZ LYS 62 3HZ LYS 62 -15.082 12.681 -2.713 459 H THR 63 H THR 63 -14.744 6.448 1.751 460 HA THR 63 HA THR 63 -12.244 5.412 0.616 461 HB THR 63 HB THR 63 -12.535 5.564 3.013 462 HG1 THR 63 HG1 THR 63 -11.428 3.794 2.936 463 1HG2 THR 63 1HG2 THR 63 -15.196 4.741 2.378 464 2HG2 THR 63 2HG2 THR 63 -14.520 3.580 3.520 465 3HG2 THR 63 3HG2 THR 63 -14.567 5.294 3.930 466 H CYS 64 H CYS 64 -12.315 2.763 0.831 467 HA CYS 64 HA CYS 64 -14.299 1.925 -1.235 468 1HB CYS 64 1HB CYS 64 -11.865 1.677 -1.633 469 2HB CYS 64 2HB CYS 64 -11.737 0.670 -0.192 Start of MODEL 36 1 1H LYS 1 1H LYS 1 5.925 5.550 8.785 2 2H LYS 1 2H LYS 1 5.529 7.191 8.624 3 3H LYS 1 3H LYS 1 6.035 6.582 10.128 4 HA LYS 1 HA LYS 1 3.968 6.004 10.690 5 1HB LYS 1 1HB LYS 1 3.897 8.001 8.717 6 2HB LYS 1 2HB LYS 1 2.647 6.854 8.231 7 1HG LYS 1 1HG LYS 1 1.851 6.924 10.668 8 2HG LYS 1 2HG LYS 1 2.898 8.331 10.857 9 1HD LYS 1 1HD LYS 1 0.555 8.964 10.293 10 2HD LYS 1 2HD LYS 1 1.709 9.499 9.070 11 1HE LYS 1 1HE LYS 1 1.007 7.896 7.513 12 2HE LYS 1 2HE LYS 1 0.355 6.823 8.767 13 1HZ LYS 1 1HZ LYS 1 -0.725 9.542 8.513 14 2HZ LYS 1 2HZ LYS 1 -1.239 8.364 7.408 15 3HZ LYS 1 3HZ LYS 1 -1.487 8.129 9.072 16 H ASP 2 H ASP 2 3.839 3.757 10.700 17 HA ASP 2 HA ASP 2 3.777 2.127 8.304 18 1HB ASP 2 1HB ASP 2 2.802 1.458 11.096 19 2HB ASP 2 2HB ASP 2 3.439 0.341 9.891 20 H GLY 3 H GLY 3 2.005 1.810 6.986 21 1HA GLY 3 1HA GLY 3 -0.675 1.596 8.129 22 2HA GLY 3 2HA GLY 3 -0.449 3.046 7.154 23 H TYR 4 H TYR 4 -2.203 1.886 5.914 24 HA TYR 4 HA TYR 4 -1.052 -0.052 3.940 25 1HB TYR 4 1HB TYR 4 -3.656 0.194 5.398 26 2HB TYR 4 2HB TYR 4 -3.676 -0.509 3.782 27 HD1 TYR 4 HD1 TYR 4 -2.099 -2.467 3.293 28 HD2 TYR 4 HD2 TYR 4 -2.942 -1.070 7.265 29 HE1 TYR 4 HE1 TYR 4 -1.302 -4.626 4.221 30 HE2 TYR 4 HE2 TYR 4 -2.145 -3.226 8.195 31 HH TYR 4 HH TYR 4 -1.970 -5.877 6.795 32 H LEU 5 H LEU 5 -1.188 0.588 1.789 33 HA LEU 5 HA LEU 5 -2.336 3.263 1.237 34 1HB LEU 5 1HB LEU 5 -0.541 1.296 -0.183 35 2HB LEU 5 2HB LEU 5 -1.214 2.684 -1.039 36 HG LEU 5 HG LEU 5 -0.030 3.317 1.592 37 1HD1 LEU 5 1HD1 LEU 5 1.646 2.317 -0.726 38 2HD1 LEU 5 2HD1 LEU 5 2.292 3.269 0.609 39 3HD1 LEU 5 3HD1 LEU 5 1.609 1.672 0.916 40 1HD2 LEU 5 1HD2 LEU 5 -0.580 4.539 -0.979 41 2HD2 LEU 5 2HD2 LEU 5 -0.211 5.317 0.560 42 3HD2 LEU 5 3HD2 LEU 5 1.099 4.818 -0.512 43 H VAL 6 H VAL 6 -3.841 3.587 -0.525 44 HA VAL 6 HA VAL 6 -5.838 1.435 -0.778 45 HB VAL 6 HB VAL 6 -7.176 3.216 -1.685 46 1HG1 VAL 6 1HG1 VAL 6 -5.777 3.442 0.756 47 2HG1 VAL 6 2HG1 VAL 6 -5.787 5.057 0.047 48 3HG1 VAL 6 3HG1 VAL 6 -7.308 4.208 0.326 49 1HG2 VAL 6 1HG2 VAL 6 -5.356 4.016 -3.258 50 2HG2 VAL 6 2HG2 VAL 6 -6.247 5.314 -2.461 51 3HG2 VAL 6 3HG2 VAL 6 -4.640 4.867 -1.888 52 H GLU 7 H GLU 7 -6.814 1.841 -3.333 53 HA GLU 7 HA GLU 7 -4.496 1.036 -5.064 54 1HB GLU 7 1HB GLU 7 -5.875 -0.671 -5.996 55 2HB GLU 7 2HB GLU 7 -6.130 -0.752 -4.256 56 1HG GLU 7 1HG GLU 7 -8.267 0.180 -4.392 57 2HG GLU 7 2HG GLU 7 -7.944 0.960 -5.938 58 H LYS 8 H LYS 8 -5.820 0.849 -7.454 59 HA LYS 8 HA LYS 8 -5.727 3.375 -8.608 60 1HB LYS 8 1HB LYS 8 -6.376 0.742 -9.299 61 2HB LYS 8 2HB LYS 8 -7.781 1.686 -9.788 62 1HG LYS 8 1HG LYS 8 -4.931 2.417 -10.509 63 2HG LYS 8 2HG LYS 8 -6.011 1.508 -11.567 64 1HD LYS 8 1HD LYS 8 -7.669 3.466 -11.226 65 2HD LYS 8 2HD LYS 8 -6.271 4.364 -10.630 66 1HE LYS 8 1HE LYS 8 -5.744 2.926 -13.149 67 2HE LYS 8 2HE LYS 8 -6.983 4.188 -13.290 68 1HZ LYS 8 1HZ LYS 8 -4.822 5.004 -11.612 69 2HZ LYS 8 2HZ LYS 8 -4.268 4.590 -13.160 70 3HZ LYS 8 3HZ LYS 8 -5.472 5.775 -12.978 71 H THR 9 H THR 9 -8.766 1.731 -7.584 72 HA THR 9 HA THR 9 -10.250 4.249 -7.989 73 HB THR 9 HB THR 9 -12.172 2.790 -7.650 74 HG1 THR 9 HG1 THR 9 -11.661 1.438 -6.072 75 1HG2 THR 9 1HG2 THR 9 -9.910 1.787 -9.351 76 2HG2 THR 9 2HG2 THR 9 -11.428 0.893 -9.291 77 3HG2 THR 9 3HG2 THR 9 -11.412 2.565 -9.849 78 H GLY 10 H GLY 10 -8.528 2.881 -5.421 79 1HA GLY 10 1HA GLY 10 -8.450 4.310 -3.369 80 2HA GLY 10 2HA GLY 10 -10.207 4.416 -3.476 81 H CYS 11 H CYS 11 -9.919 1.379 -4.341 82 HA CYS 11 HA CYS 11 -10.549 0.333 -1.705 83 1HB CYS 11 1HB CYS 11 -9.880 -1.121 -4.285 84 2HB CYS 11 2HB CYS 11 -10.819 -1.753 -2.933 85 H LYS 12 H LYS 12 -9.281 -1.979 -1.335 86 HA LYS 12 HA LYS 12 -6.556 -1.199 -0.609 87 1HB LYS 12 1HB LYS 12 -7.821 -3.945 -0.471 88 2HB LYS 12 2HB LYS 12 -6.626 -3.241 0.617 89 1HG LYS 12 1HG LYS 12 -8.574 -1.429 0.950 90 2HG LYS 12 2HG LYS 12 -9.575 -2.813 0.512 91 1HD LYS 12 1HD LYS 12 -7.418 -3.026 2.612 92 2HD LYS 12 2HD LYS 12 -9.052 -2.497 3.014 93 1HE LYS 12 1HE LYS 12 -9.539 -4.742 1.479 94 2HE LYS 12 2HE LYS 12 -8.079 -5.200 2.379 95 1HZ LYS 12 1HZ LYS 12 -10.370 -3.846 3.678 96 2HZ LYS 12 2HZ LYS 12 -10.278 -5.539 3.567 97 3HZ LYS 12 3HZ LYS 12 -9.086 -4.679 4.416 98 H LYS 13 H LYS 13 -4.952 -3.291 -1.024 99 HA LYS 13 HA LYS 13 -5.137 -4.101 -3.894 100 1HB LYS 13 1HB LYS 13 -3.310 -2.193 -2.626 101 2HB LYS 13 2HB LYS 13 -2.453 -3.482 -3.470 102 1HG LYS 13 1HG LYS 13 -4.652 -2.653 -5.105 103 2HG LYS 13 2HG LYS 13 -3.761 -1.214 -4.604 104 1HD LYS 13 1HD LYS 13 -1.679 -2.147 -5.434 105 2HD LYS 13 2HD LYS 13 -2.467 -3.683 -5.796 106 1HE LYS 13 1HE LYS 13 -4.077 -2.111 -7.240 107 2HE LYS 13 2HE LYS 13 -2.627 -1.087 -7.271 108 1HZ LYS 13 1HZ LYS 13 -1.384 -3.223 -7.782 109 2HZ LYS 13 2HZ LYS 13 -2.896 -3.905 -8.138 110 3HZ LYS 13 3HZ LYS 13 -2.332 -2.577 -9.036 111 H THR 14 H THR 14 -5.738 -6.030 -2.319 112 HA THR 14 HA THR 14 -3.874 -7.378 -0.709 113 HB THR 14 HB THR 14 -6.110 -8.273 -2.532 114 HG1 THR 14 HG1 THR 14 -5.797 -7.444 0.075 115 1HG2 THR 14 1HG2 THR 14 -4.529 -10.146 -2.284 116 2HG2 THR 14 2HG2 THR 14 -4.568 -9.948 -0.531 117 3HG2 THR 14 3HG2 THR 14 -6.020 -10.457 -1.392 118 H CYS 15 H CYS 15 -2.426 -9.132 -1.145 119 HA CYS 15 HA CYS 15 -1.399 -9.224 -3.963 120 1HB CYS 15 1HB CYS 15 0.777 -9.463 -3.001 121 2HB CYS 15 2HB CYS 15 -0.013 -8.201 -2.058 122 H TYR 16 H TYR 16 0.233 -11.457 -3.638 123 HA TYR 16 HA TYR 16 -1.701 -13.637 -2.915 124 1HB TYR 16 1HB TYR 16 0.240 -13.770 -5.226 125 2HB TYR 16 2HB TYR 16 -1.231 -14.709 -4.975 126 HD1 TYR 16 HD1 TYR 16 -3.465 -13.639 -5.247 127 HD2 TYR 16 HD2 TYR 16 0.179 -11.581 -6.211 128 HE1 TYR 16 HE1 TYR 16 -4.756 -11.957 -6.533 129 HE2 TYR 16 HE2 TYR 16 -1.109 -9.899 -7.498 130 HH TYR 16 HH TYR 16 -3.668 -9.045 -7.355 131 H LYS 17 H LYS 17 1.142 -12.257 -2.092 132 HA LYS 17 HA LYS 17 2.235 -14.823 -1.051 133 1HB LYS 17 1HB LYS 17 3.236 -14.199 -3.303 134 2HB LYS 17 2HB LYS 17 3.891 -12.757 -2.528 135 1HG LYS 17 1HG LYS 17 5.674 -14.221 -2.274 136 2HG LYS 17 2HG LYS 17 4.803 -14.505 -0.766 137 1HD LYS 17 1HD LYS 17 3.583 -16.387 -1.925 138 2HD LYS 17 2HD LYS 17 4.681 -16.173 -3.290 139 1HE LYS 17 1HE LYS 17 6.198 -16.301 -0.827 140 2HE LYS 17 2HE LYS 17 5.156 -17.731 -0.986 141 1HZ LYS 17 1HZ LYS 17 5.904 -17.679 -3.425 142 2HZ LYS 17 2HZ LYS 17 7.186 -16.708 -2.872 143 3HZ LYS 17 3HZ LYS 17 6.994 -18.282 -2.269 144 H LEU 18 H LEU 18 1.824 -14.169 1.102 145 HA LEU 18 HA LEU 18 2.214 -11.568 2.185 146 1HB LEU 18 1HB LEU 18 2.286 -14.371 3.327 147 2HB LEU 18 2HB LEU 18 2.381 -12.936 4.347 148 HG LEU 18 HG LEU 18 0.166 -13.347 2.332 149 1HD1 LEU 18 1HD1 LEU 18 0.145 -15.198 3.974 150 2HD1 LEU 18 2HD1 LEU 18 0.178 -14.024 5.290 151 3HD1 LEU 18 3HD1 LEU 18 -1.222 -14.109 4.219 152 1HD2 LEU 18 1HD2 LEU 18 0.867 -11.376 4.452 153 2HD2 LEU 18 2HD2 LEU 18 0.024 -11.130 2.924 154 3HD2 LEU 18 3HD2 LEU 18 -0.837 -11.805 4.306 155 H GLY 19 H GLY 19 4.047 -10.517 2.911 156 1HA GLY 19 1HA GLY 19 6.311 -10.802 4.007 157 2HA GLY 19 2HA GLY 19 6.621 -12.041 2.791 158 H GLU 20 H GLU 20 8.524 -10.486 2.437 159 HA GLU 20 HA GLU 20 8.262 -7.895 1.333 160 1HB GLU 20 1HB GLU 20 10.479 -8.560 0.243 161 2HB GLU 20 2HB GLU 20 10.391 -8.784 1.990 162 1HG GLU 20 1HG GLU 20 10.304 -11.087 1.835 163 2HG GLU 20 2HG GLU 20 9.538 -11.057 0.246 164 H ASN 21 H ASN 21 6.289 -8.116 -0.036 165 HA ASN 21 HA ASN 21 6.502 -9.751 -2.482 166 1HB ASN 21 1HB ASN 21 4.435 -9.352 -1.031 167 2HB ASN 21 2HB ASN 21 4.406 -7.714 -1.686 168 1HD2 ASN 21 2HD2 ASN 21 3.029 -10.686 -2.159 169 2HD2 ASN 21 1HD2 ASN 21 2.721 -10.599 -3.827 170 H ASP 22 H ASP 22 8.319 -8.674 -3.533 171 HA ASP 22 HA ASP 22 8.823 -6.003 -3.984 172 1HB ASP 22 1HB ASP 22 9.167 -8.543 -5.437 173 2HB ASP 22 2HB ASP 22 9.221 -7.118 -6.475 174 H PHE 23 H PHE 23 6.614 -7.982 -6.003 175 HA PHE 23 HA PHE 23 5.654 -6.093 -7.785 176 1HB PHE 23 1HB PHE 23 5.006 -8.624 -7.018 177 2HB PHE 23 2HB PHE 23 3.601 -7.744 -6.416 178 HD1 PHE 23 HD1 PHE 23 2.213 -6.379 -7.973 179 HD2 PHE 23 HD2 PHE 23 5.394 -8.901 -9.374 180 HE1 PHE 23 HE1 PHE 23 1.301 -6.251 -10.274 181 HE2 PHE 23 HE2 PHE 23 4.480 -8.776 -11.677 182 HZ PHE 23 HZ PHE 23 2.434 -7.450 -12.126 183 H CYS 24 H CYS 24 4.346 -6.646 -4.486 184 HA CYS 24 HA CYS 24 2.613 -4.308 -4.582 185 1HB CYS 24 1HB CYS 24 2.843 -6.607 -3.091 186 2HB CYS 24 2HB CYS 24 3.475 -5.402 -1.971 187 H ASN 25 H ASN 25 5.883 -5.002 -3.430 188 HA ASN 25 HA ASN 25 6.381 -2.701 -1.850 189 1HB ASN 25 1HB ASN 25 7.741 -4.900 -2.628 190 2HB ASN 25 2HB ASN 25 8.482 -3.719 -3.708 191 1HD2 ASN 25 2HD2 ASN 25 9.491 -5.131 -1.136 192 2HD2 ASN 25 1HD2 ASN 25 10.068 -3.852 -0.179 193 H ARG 26 H ARG 26 7.294 -3.175 -5.280 194 HA ARG 26 HA ARG 26 8.014 -0.527 -5.904 195 1HB ARG 26 1HB ARG 26 7.066 -2.969 -7.296 196 2HB ARG 26 2HB ARG 26 6.867 -1.473 -8.204 197 1HG ARG 26 1HG ARG 26 9.263 -0.950 -7.845 198 2HG ARG 26 2HG ARG 26 9.458 -2.479 -6.986 199 1HD ARG 26 1HD ARG 26 8.218 -3.249 -9.347 200 2HD ARG 26 2HD ARG 26 9.332 -1.978 -9.877 201 HE ARG 26 HE ARG 26 10.081 -4.608 -9.012 202 1HH1 ARG 26 1HH1 ARG 26 10.958 -1.295 -8.535 203 2HH1 ARG 26 2HH1 ARG 26 12.511 -1.678 -7.878 204 1HH2 ARG 26 1HH2 ARG 26 12.103 -5.103 -8.184 205 2HH2 ARG 26 2HH2 ARG 26 13.163 -3.826 -7.687 206 H GLU 27 H GLU 27 4.812 -2.094 -6.250 207 HA GLU 27 HA GLU 27 3.324 0.049 -7.282 208 1HB GLU 27 1HB GLU 27 2.884 -2.497 -6.426 209 2HB GLU 27 2HB GLU 27 2.075 -1.589 -5.148 210 1HG GLU 27 1HG GLU 27 0.333 -1.695 -6.647 211 2HG GLU 27 2HG GLU 27 1.121 -0.242 -7.264 212 H CYS 28 H CYS 28 4.351 -0.511 -3.928 213 HA CYS 28 HA CYS 28 2.670 1.529 -2.756 214 1HB CYS 28 1HB CYS 28 3.574 -0.304 -1.460 215 2HB CYS 28 2HB CYS 28 5.225 0.146 -1.893 216 H LYS 29 H LYS 29 6.234 1.530 -3.308 217 HA LYS 29 HA LYS 29 6.049 4.526 -3.467 218 1HB LYS 29 1HB LYS 29 8.367 4.447 -2.549 219 2HB LYS 29 2HB LYS 29 7.194 3.684 -1.477 220 1HG LYS 29 1HG LYS 29 7.818 1.473 -2.308 221 2HG LYS 29 2HG LYS 29 8.934 2.200 -3.467 222 1HD LYS 29 1HD LYS 29 10.413 2.917 -1.779 223 2HD LYS 29 2HD LYS 29 9.191 2.759 -0.517 224 1HE LYS 29 1HE LYS 29 9.578 0.206 -1.833 225 2HE LYS 29 2HE LYS 29 11.124 0.829 -1.221 226 1HZ LYS 29 1HZ LYS 29 9.685 1.493 0.815 227 2HZ LYS 29 2HZ LYS 29 8.634 0.284 0.250 228 3HZ LYS 29 3HZ LYS 29 10.230 -0.110 0.667 229 H TRP 30 H TRP 30 5.627 3.252 -5.859 230 HA TRP 30 HA TRP 30 8.111 2.726 -7.281 231 1HB TRP 30 1HB TRP 30 6.473 2.826 -9.271 232 2HB TRP 30 2HB TRP 30 6.233 1.569 -8.071 233 HD1 TRP 30 HD1 TRP 30 3.715 1.573 -9.103 234 HE1 TRP 30 HE1 TRP 30 1.641 2.918 -8.396 235 HE3 TRP 30 HE3 TRP 30 5.935 5.390 -6.483 236 HZ2 TRP 30 HZ2 TRP 30 0.996 5.272 -6.939 237 HZ3 TRP 30 HZ3 TRP 30 4.553 7.159 -5.463 238 HH2 TRP 30 HH2 TRP 30 2.088 7.107 -5.682 239 H LYS 31 H LYS 31 8.399 5.260 -6.131 240 HA LYS 31 HA LYS 31 9.080 6.865 -8.431 241 1HB LYS 31 1HB LYS 31 6.427 7.131 -7.158 242 2HB LYS 31 2HB LYS 31 7.285 8.655 -7.382 243 1HG LYS 31 1HG LYS 31 7.695 7.265 -9.777 244 2HG LYS 31 2HG LYS 31 6.005 6.965 -9.372 245 1HD LYS 31 1HD LYS 31 5.587 9.356 -9.152 246 2HD LYS 31 2HD LYS 31 7.295 9.708 -9.414 247 1HE LYS 31 1HE LYS 31 6.531 8.099 -11.602 248 2HE LYS 31 2HE LYS 31 5.225 9.284 -11.391 249 1HZ LYS 31 1HZ LYS 31 7.122 10.936 -11.016 250 2HZ LYS 31 2HZ LYS 31 8.114 9.775 -11.761 251 3HZ LYS 31 3HZ LYS 31 6.808 10.446 -12.612 252 H HIS 32 H HIS 32 7.754 8.145 -5.391 253 HA HIS 32 HA HIS 32 10.391 8.378 -4.122 254 1HB HIS 32 1HB HIS 32 10.397 10.095 -5.932 255 2HB HIS 32 2HB HIS 32 8.964 10.825 -5.212 256 HD1 HIS 32 HD1 HIS 32 10.488 12.998 -4.860 257 HD2 HIS 32 HD2 HIS 32 11.597 9.662 -2.618 258 HE1 HIS 32 HE1 HIS 32 12.047 13.838 -3.051 259 H ILE 33 H ILE 33 9.057 7.334 -2.422 260 HA ILE 33 HA ILE 33 7.167 9.237 -1.084 261 HB ILE 33 HB ILE 33 7.000 6.484 -1.898 262 1HG1 ILE 33 1HG1 ILE 33 4.808 7.462 -0.246 263 2HG1 ILE 33 2HG1 ILE 33 5.341 8.674 -1.413 264 1HG2 ILE 33 1HG2 ILE 33 6.936 6.945 1.089 265 2HG2 ILE 33 2HG2 ILE 33 6.036 5.632 0.332 266 3HG2 ILE 33 3HG2 ILE 33 7.793 5.688 0.198 267 1HD1 ILE 33 1HD1 ILE 33 4.840 5.808 -2.217 268 2HD1 ILE 33 2HD1 ILE 33 3.551 7.011 -2.212 269 3HD1 ILE 33 3HD1 ILE 33 4.957 7.229 -3.256 270 H GLY 34 H GLY 34 9.933 7.074 -0.642 271 1HA GLY 34 1HA GLY 34 11.656 7.395 0.989 272 2HA GLY 34 2HA GLY 34 10.595 8.506 1.852 273 H GLY 35 H GLY 35 10.044 5.157 0.782 274 1HA GLY 35 1HA GLY 35 9.070 4.523 3.506 275 2HA GLY 35 2HA GLY 35 8.867 3.507 2.080 276 H SER 36 H SER 36 10.147 3.130 4.891 277 HA SER 36 HA SER 36 12.916 2.383 4.133 278 1HB SER 36 1HB SER 36 12.559 1.624 6.727 279 2HB SER 36 2HB SER 36 12.997 3.261 6.248 280 HG SER 36 HG SER 36 11.198 3.744 7.231 281 H TYR 37 H TYR 37 9.802 0.948 4.336 282 HA TYR 37 HA TYR 37 10.882 -1.685 3.635 283 1HB TYR 37 1HB TYR 37 10.429 -0.935 6.358 284 2HB TYR 37 2HB TYR 37 9.202 -2.124 5.916 285 HD1 TYR 37 HD1 TYR 37 10.801 -3.605 3.797 286 HD2 TYR 37 HD2 TYR 37 11.824 -2.287 7.755 287 HE1 TYR 37 HE1 TYR 37 12.485 -5.418 3.966 288 HE2 TYR 37 HE2 TYR 37 13.507 -4.101 7.925 289 HH TYR 37 HH TYR 37 13.793 -6.448 6.791 290 H GLY 38 H GLY 38 9.421 -2.477 2.170 291 1HA GLY 38 1HA GLY 38 6.532 -1.851 2.590 292 2HA GLY 38 2HA GLY 38 7.268 -1.620 1.006 293 H TYR 39 H TYR 39 5.670 -3.840 2.993 294 HA TYR 39 HA TYR 39 6.199 -6.002 1.009 295 1HB TYR 39 1HB TYR 39 6.345 -7.553 3.055 296 2HB TYR 39 2HB TYR 39 7.725 -6.490 2.777 297 HD1 TYR 39 HD1 TYR 39 4.711 -7.055 4.845 298 HD2 TYR 39 HD2 TYR 39 8.219 -4.647 4.263 299 HE1 TYR 39 HE1 TYR 39 4.401 -6.059 7.096 300 HE2 TYR 39 HE2 TYR 39 7.911 -3.653 6.515 301 HH TYR 39 HH TYR 39 5.237 -4.695 8.632 302 H CYS 40 H CYS 40 4.524 -7.810 1.310 303 HA CYS 40 HA CYS 40 1.870 -6.590 1.627 304 1HB CYS 40 1HB CYS 40 2.535 -8.158 -0.209 305 2HB CYS 40 2HB CYS 40 2.713 -9.436 0.995 306 H TYR 41 H TYR 41 0.921 -6.511 3.612 307 HA TYR 41 HA TYR 41 1.424 -8.773 5.519 308 1HB TYR 41 1HB TYR 41 2.485 -6.598 6.129 309 2HB TYR 41 2HB TYR 41 0.894 -5.837 6.087 310 HD1 TYR 41 HD1 TYR 41 1.554 -9.282 7.298 311 HD2 TYR 41 HD2 TYR 41 0.738 -5.211 8.406 312 HE1 TYR 41 HE1 TYR 41 1.144 -10.001 9.638 313 HE2 TYR 41 HE2 TYR 41 0.327 -5.930 10.743 314 HH TYR 41 HH TYR 41 0.201 -9.324 11.633 315 H GLY 42 H GLY 42 -0.440 -9.914 5.868 316 1HA GLY 42 1HA GLY 42 -2.724 -10.351 6.234 317 2HA GLY 42 2HA GLY 42 -2.961 -8.613 6.430 318 H PHE 43 H PHE 43 -1.531 -10.140 3.596 319 HA PHE 43 HA PHE 43 -2.225 -10.148 1.341 320 1HB PHE 43 1HB PHE 43 -4.682 -10.472 3.017 321 2HB PHE 43 2HB PHE 43 -4.900 -10.181 1.291 322 HD1 PHE 43 HD1 PHE 43 -3.958 -11.756 -0.384 323 HD2 PHE 43 HD2 PHE 43 -3.736 -12.538 3.836 324 HE1 PHE 43 HE1 PHE 43 -3.416 -14.132 -0.849 325 HE2 PHE 43 HE2 PHE 43 -3.193 -14.911 3.367 326 HZ PHE 43 HZ PHE 43 -3.035 -15.708 1.025 327 H GLY 44 H GLY 44 -1.370 -7.702 2.020 328 1HA GLY 44 1HA GLY 44 -2.972 -5.922 0.392 329 2HA GLY 44 2HA GLY 44 -3.077 -5.497 2.102 330 H CYS 45 H CYS 45 -1.783 -4.007 -0.131 331 HA CYS 45 HA CYS 45 1.087 -4.231 0.105 332 1HB CYS 45 1HB CYS 45 -0.884 -2.782 -1.351 333 2HB CYS 45 2HB CYS 45 0.202 -1.597 -0.626 334 H TYR 46 H TYR 46 1.543 -4.200 2.397 335 HA TYR 46 HA TYR 46 0.781 -1.784 3.944 336 1HB TYR 46 1HB TYR 46 0.661 -4.167 4.799 337 2HB TYR 46 2HB TYR 46 2.422 -4.216 4.721 338 HD1 TYR 46 HD1 TYR 46 -0.218 -1.840 5.953 339 HD2 TYR 46 HD2 TYR 46 3.522 -3.811 6.727 340 HE1 TYR 46 HE1 TYR 46 -0.089 -0.729 8.167 341 HE2 TYR 46 HE2 TYR 46 3.649 -2.698 8.940 342 HH TYR 46 HH TYR 46 1.434 -0.166 9.853 343 H CYS 47 H CYS 47 2.246 -0.099 4.290 344 HA CYS 47 HA CYS 47 5.109 -0.646 3.537 345 1HB CYS 47 1HB CYS 47 3.128 1.210 2.483 346 2HB CYS 47 2HB CYS 47 4.585 2.049 3.021 347 H GLU 48 H GLU 48 6.686 0.663 4.655 348 HA GLU 48 HA GLU 48 5.688 1.797 7.250 349 1HB GLU 48 1HB GLU 48 7.432 -0.336 6.638 350 2HB GLU 48 2HB GLU 48 8.468 0.970 7.213 351 1HG GLU 48 1HG GLU 48 6.966 1.214 9.202 352 2HG GLU 48 2HG GLU 48 6.066 -0.198 8.647 353 H GLY 49 H GLY 49 6.005 4.000 7.343 354 1HA GLY 49 1HA GLY 49 7.684 5.820 7.439 355 2HA GLY 49 2HA GLY 49 8.446 5.106 6.021 356 H LEU 50 H LEU 50 5.078 6.006 6.787 357 HA LEU 50 HA LEU 50 4.896 7.301 4.105 358 1HB LEU 50 1HB LEU 50 2.727 6.680 6.131 359 2HB LEU 50 2HB LEU 50 2.515 7.018 4.414 360 HG LEU 50 HG LEU 50 4.272 4.726 5.217 361 1HD1 LEU 50 1HD1 LEU 50 1.597 4.957 6.103 362 2HD1 LEU 50 2HD1 LEU 50 1.568 3.851 4.729 363 3HD1 LEU 50 3HD1 LEU 50 2.607 3.511 6.112 364 1HD2 LEU 50 1HD2 LEU 50 2.539 5.530 2.887 365 2HD2 LEU 50 2HD2 LEU 50 4.245 5.081 2.895 366 3HD2 LEU 50 3HD2 LEU 50 3.006 3.844 3.107 367 HA PRO 51 HA PRO 51 5.553 11.079 6.588 368 1HB PRO 51 1HB PRO 51 5.346 12.500 4.082 369 2HB PRO 51 2HB PRO 51 6.784 12.225 5.071 370 1HG PRO 51 1HG PRO 51 6.116 11.004 2.561 371 2HG PRO 51 2HG PRO 51 7.548 10.727 3.557 372 1HD PRO 51 1HD PRO 51 5.344 8.930 3.118 373 2HD PRO 51 2HD PRO 51 6.759 8.680 4.170 374 H ASP 52 H ASP 52 4.052 12.706 7.213 375 HA ASP 52 HA ASP 52 1.303 12.262 7.066 376 1HB ASP 52 1HB ASP 52 3.155 14.398 7.789 377 2HB ASP 52 2HB ASP 52 1.627 15.040 7.188 378 H SER 53 H SER 53 3.242 14.382 4.933 379 HA SER 53 HA SER 53 1.330 15.562 3.336 380 1HB SER 53 1HB SER 53 4.071 15.000 3.249 381 2HB SER 53 2HB SER 53 3.445 14.355 1.734 382 HG SER 53 HG SER 53 4.021 16.795 2.134 383 H THR 54 H THR 54 2.123 12.138 3.445 384 HA THR 54 HA THR 54 0.445 11.605 1.042 385 HB THR 54 HB THR 54 1.683 9.385 2.549 386 HG1 THR 54 HG1 THR 54 3.689 10.065 2.409 387 1HG2 THR 54 1HG2 THR 54 0.683 9.570 0.114 388 2HG2 THR 54 2HG2 THR 54 2.290 10.181 -0.278 389 3HG2 THR 54 3HG2 THR 54 2.104 8.569 0.413 390 H GLN 55 H GLN 55 -1.423 10.294 1.167 391 HA GLN 55 HA GLN 55 -2.648 10.075 3.880 392 1HB GLN 55 1HB GLN 55 -3.503 10.568 1.115 393 2HB GLN 55 2HB GLN 55 -4.524 9.392 1.944 394 1HG GLN 55 1HG GLN 55 -3.776 12.090 3.103 395 2HG GLN 55 2HG GLN 55 -5.281 11.772 2.237 396 1HE2 GLN 55 2HE2 GLN 55 -6.796 10.187 3.232 397 2HE2 GLN 55 1HE2 GLN 55 -6.723 9.879 4.899 398 H THR 56 H THR 56 -3.711 8.018 4.450 399 HA THR 56 HA THR 56 -2.728 5.658 2.881 400 HB THR 56 HB THR 56 -2.829 5.008 5.647 401 HG1 THR 56 HG1 THR 56 -2.688 7.162 6.165 402 1HG2 THR 56 1HG2 THR 56 -0.951 5.064 3.419 403 2HG2 THR 56 2HG2 THR 56 -0.158 5.386 4.960 404 3HG2 THR 56 3HG2 THR 56 -1.086 3.903 4.739 405 H TRP 57 H TRP 57 -4.117 3.807 2.992 406 HA TRP 57 HA TRP 57 -6.885 4.176 2.971 407 1HB TRP 57 1HB TRP 57 -5.303 2.207 2.310 408 2HB TRP 57 2HB TRP 57 -5.541 1.665 3.964 409 HD1 TRP 57 HD1 TRP 57 -7.301 1.980 0.638 410 HE1 TRP 57 HE1 TRP 57 -9.596 0.813 0.774 411 HE3 TRP 57 HE3 TRP 57 -7.523 1.052 5.654 412 HZ2 TRP 57 HZ2 TRP 57 -11.303 -0.357 2.753 413 HZ3 TRP 57 HZ3 TRP 57 -9.491 -0.085 6.637 414 HH2 TRP 57 HH2 TRP 57 -11.379 -0.791 5.194 415 HA PRO 58 HA PRO 58 -8.752 3.309 3.416 416 1HB PRO 58 1HB PRO 58 -10.858 4.742 4.643 417 2HB PRO 58 2HB PRO 58 -10.694 2.985 4.547 418 1HG PRO 58 1HG PRO 58 -10.430 4.696 6.870 419 2HG PRO 58 2HG PRO 58 -10.416 2.931 6.795 420 1HD PRO 58 1HD PRO 58 -8.175 4.706 7.220 421 2HD PRO 58 2HD PRO 58 -8.164 2.926 7.157 422 H LEU 59 H LEU 59 -10.225 5.128 2.302 423 HA LEU 59 HA LEU 59 -8.548 7.591 2.160 424 1HB LEU 59 1HB LEU 59 -10.389 6.058 0.363 425 2HB LEU 59 2HB LEU 59 -10.186 7.783 0.066 426 HG LEU 59 HG LEU 59 -7.772 6.037 0.467 427 1HD1 LEU 59 1HD1 LEU 59 -9.624 6.115 -1.866 428 2HD1 LEU 59 2HD1 LEU 59 -7.898 6.161 -2.219 429 3HD1 LEU 59 3HD1 LEU 59 -8.575 4.811 -1.308 430 1HD2 LEU 59 1HD2 LEU 59 -8.423 8.668 -0.866 431 2HD2 LEU 59 2HD2 LEU 59 -7.251 8.349 0.413 432 3HD2 LEU 59 3HD2 LEU 59 -6.932 7.804 -1.233 433 HA PRO 60 HA PRO 60 -11.548 10.302 3.892 434 1HB PRO 60 1HB PRO 60 -11.720 12.029 1.592 435 2HB PRO 60 2HB PRO 60 -10.824 12.291 3.091 436 1HG PRO 60 1HG PRO 60 -9.759 11.678 0.505 437 2HG PRO 60 2HG PRO 60 -8.873 11.902 2.015 438 1HD PRO 60 1HD PRO 60 -9.316 9.444 0.575 439 2HD PRO 60 2HD PRO 60 -8.436 9.667 2.107 440 H ASN 61 H ASN 61 -13.539 11.782 2.571 441 HA ASN 61 HA ASN 61 -15.748 10.114 2.385 442 1HB ASN 61 1HB ASN 61 -16.320 12.343 2.290 443 2HB ASN 61 2HB ASN 61 -14.918 12.763 1.311 444 1HD2 ASN 61 2HD2 ASN 61 -15.989 13.872 -0.396 445 2HD2 ASN 61 1HD2 ASN 61 -17.133 13.136 -1.414 446 H LYS 62 H LYS 62 -13.197 10.586 0.059 447 HA LYS 62 HA LYS 62 -14.616 9.161 -2.103 448 1HB LYS 62 1HB LYS 62 -13.121 11.120 -2.465 449 2HB LYS 62 2HB LYS 62 -11.770 10.184 -1.826 450 1HG LYS 62 1HG LYS 62 -12.589 8.443 -3.681 451 2HG LYS 62 2HG LYS 62 -13.193 9.918 -4.435 452 1HD LYS 62 1HD LYS 62 -11.083 10.088 -5.267 453 2HD LYS 62 2HD LYS 62 -10.693 10.709 -3.664 454 1HE LYS 62 1HE LYS 62 -10.527 8.039 -3.174 455 2HE LYS 62 2HE LYS 62 -10.019 8.085 -4.874 456 1HZ LYS 62 1HZ LYS 62 -8.499 9.893 -4.324 457 2HZ LYS 62 2HZ LYS 62 -8.955 9.797 -2.689 458 3HZ LYS 62 3HZ LYS 62 -8.135 8.503 -3.424 459 H THR 63 H THR 63 -14.667 7.304 -0.233 460 HA THR 63 HA THR 63 -12.165 5.713 -0.203 461 HB THR 63 HB THR 63 -13.596 6.114 1.813 462 HG1 THR 63 HG1 THR 63 -12.279 4.247 1.617 463 1HG2 THR 63 1HG2 THR 63 -15.576 4.663 0.078 464 2HG2 THR 63 2HG2 THR 63 -15.680 4.544 1.834 465 3HG2 THR 63 3HG2 THR 63 -15.811 6.118 1.048 466 H CYS 64 H CYS 64 -13.195 3.164 -0.112 467 HA CYS 64 HA CYS 64 -13.840 2.688 -2.966 468 1HB CYS 64 1HB CYS 64 -12.003 1.490 -1.868 469 2HB CYS 64 2HB CYS 64 -13.105 0.893 -0.630 Start of MODEL 37 1 1H LYS 1 1H LYS 1 6.743 3.585 11.939 2 2H LYS 1 2H LYS 1 6.604 4.999 12.869 3 3H LYS 1 3H LYS 1 5.327 3.880 12.824 4 HA LYS 1 HA LYS 1 4.652 5.619 11.398 5 1HB LYS 1 1HB LYS 1 7.111 6.418 11.446 6 2HB LYS 1 2HB LYS 1 7.342 5.379 10.040 7 1HG LYS 1 1HG LYS 1 5.845 6.630 8.715 8 2HG LYS 1 2HG LYS 1 5.098 7.391 10.121 9 1HD LYS 1 1HD LYS 1 7.364 8.476 10.574 10 2HD LYS 1 2HD LYS 1 7.846 7.922 8.971 11 1HE LYS 1 1HE LYS 1 6.497 9.447 7.893 12 2HE LYS 1 2HE LYS 1 5.246 9.377 9.150 13 1HZ LYS 1 1HZ LYS 1 7.939 10.548 9.582 14 2HZ LYS 1 2HZ LYS 1 6.584 11.471 9.151 15 3HZ LYS 1 3HZ LYS 1 6.603 10.628 10.625 16 H ASP 2 H ASP 2 3.282 3.831 10.743 17 HA ASP 2 HA ASP 2 4.276 2.331 8.337 18 1HB ASP 2 1HB ASP 2 2.230 1.575 10.448 19 2HB ASP 2 2HB ASP 2 2.732 0.559 9.097 20 H GLY 3 H GLY 3 2.325 1.644 6.910 21 1HA GLY 3 1HA GLY 3 -0.069 3.285 7.040 22 2HA GLY 3 2HA GLY 3 1.046 3.837 5.789 23 H TYR 4 H TYR 4 -1.293 3.017 4.818 24 HA TYR 4 HA TYR 4 -0.719 0.284 3.720 25 1HB TYR 4 1HB TYR 4 -2.874 1.221 5.340 26 2HB TYR 4 2HB TYR 4 -3.521 0.884 3.733 27 HD1 TYR 4 HD1 TYR 4 -1.944 -1.319 2.741 28 HD2 TYR 4 HD2 TYR 4 -3.360 -0.593 6.730 29 HE1 TYR 4 HE1 TYR 4 -1.850 -3.751 3.217 30 HE2 TYR 4 HE2 TYR 4 -3.268 -3.026 7.207 31 HH TYR 4 HH TYR 4 -2.405 -5.010 6.456 32 H LEU 5 H LEU 5 -0.156 0.682 1.601 33 HA LEU 5 HA LEU 5 -0.981 2.985 0.095 34 1HB LEU 5 1HB LEU 5 0.024 0.247 -0.755 35 2HB LEU 5 2HB LEU 5 -0.015 1.675 -1.791 36 HG LEU 5 HG LEU 5 1.301 2.060 0.831 37 1HD1 LEU 5 1HD1 LEU 5 1.992 -0.260 0.124 38 2HD1 LEU 5 2HD1 LEU 5 2.659 0.452 -1.345 39 3HD1 LEU 5 3HD1 LEU 5 3.325 0.891 0.229 40 1HD2 LEU 5 1HD2 LEU 5 1.166 3.325 -1.675 41 2HD2 LEU 5 2HD2 LEU 5 2.216 3.770 -0.330 42 3HD2 LEU 5 3HD2 LEU 5 2.804 2.677 -1.582 43 H VAL 6 H VAL 6 -2.718 3.252 -1.293 44 HA VAL 6 HA VAL 6 -4.882 1.214 -1.136 45 HB VAL 6 HB VAL 6 -6.275 3.068 -1.902 46 1HG1 VAL 6 1HG1 VAL 6 -4.613 3.147 0.426 47 2HG1 VAL 6 2HG1 VAL 6 -4.812 4.797 -0.166 48 3HG1 VAL 6 3HG1 VAL 6 -6.230 3.821 0.216 49 1HG2 VAL 6 1HG2 VAL 6 -3.780 3.954 -3.024 50 2HG2 VAL 6 2HG2 VAL 6 -5.398 4.592 -3.312 51 3HG2 VAL 6 3HG2 VAL 6 -4.424 5.226 -1.986 52 H GLU 7 H GLU 7 -6.238 1.603 -3.458 53 HA GLU 7 HA GLU 7 -4.432 0.380 -5.463 54 1HB GLU 7 1HB GLU 7 -7.080 0.043 -4.620 55 2HB GLU 7 2HB GLU 7 -7.220 0.789 -6.213 56 1HG GLU 7 1HG GLU 7 -5.214 -1.076 -6.592 57 2HG GLU 7 2HG GLU 7 -6.315 -1.906 -5.491 58 H LYS 8 H LYS 8 -4.746 1.154 -7.792 59 HA LYS 8 HA LYS 8 -4.028 3.866 -8.109 60 1HB LYS 8 1HB LYS 8 -4.723 1.551 -9.719 61 2HB LYS 8 2HB LYS 8 -5.322 3.034 -10.466 62 1HG LYS 8 1HG LYS 8 -2.802 3.774 -9.618 63 2HG LYS 8 2HG LYS 8 -2.557 2.102 -10.124 64 1HD LYS 8 1HD LYS 8 -2.228 3.333 -12.109 65 2HD LYS 8 2HD LYS 8 -3.893 2.767 -12.244 66 1HE LYS 8 1HE LYS 8 -3.932 5.110 -12.808 67 2HE LYS 8 2HE LYS 8 -4.582 4.997 -11.162 68 1HZ LYS 8 1HZ LYS 8 -1.851 5.069 -10.856 69 2HZ LYS 8 2HZ LYS 8 -2.167 6.227 -12.054 70 3HZ LYS 8 3HZ LYS 8 -2.935 6.340 -10.543 71 H THR 9 H THR 9 -7.154 2.473 -7.551 72 HA THR 9 HA THR 9 -8.517 4.981 -8.431 73 HB THR 9 HB THR 9 -10.537 3.445 -8.178 74 HG1 THR 9 HG1 THR 9 -9.527 1.144 -8.348 75 1HG2 THR 9 1HG2 THR 9 -9.006 3.870 -10.282 76 2HG2 THR 9 2HG2 THR 9 -8.549 2.186 -10.032 77 3HG2 THR 9 3HG2 THR 9 -10.238 2.607 -10.327 78 H GLY 10 H GLY 10 -7.582 3.151 -5.631 79 1HA GLY 10 1HA GLY 10 -7.673 4.668 -3.552 80 2HA GLY 10 2HA GLY 10 -9.389 4.817 -3.928 81 H CYS 11 H CYS 11 -9.214 1.864 -4.855 82 HA CYS 11 HA CYS 11 -10.256 0.683 -2.467 83 1HB CYS 11 1HB CYS 11 -9.326 -0.206 -5.171 84 2HB CYS 11 2HB CYS 11 -9.640 -1.441 -3.951 85 H LYS 12 H LYS 12 -9.097 -1.653 -1.920 86 HA LYS 12 HA LYS 12 -6.558 -0.896 -0.634 87 1HB LYS 12 1HB LYS 12 -8.134 -3.491 -0.637 88 2HB LYS 12 2HB LYS 12 -6.915 -3.004 0.538 89 1HG LYS 12 1HG LYS 12 -8.312 -1.477 1.567 90 2HG LYS 12 2HG LYS 12 -9.237 -1.176 0.096 91 1HD LYS 12 1HD LYS 12 -9.364 -3.673 1.813 92 2HD LYS 12 2HD LYS 12 -10.613 -2.434 1.677 93 1HE LYS 12 1HE LYS 12 -10.440 -2.990 -0.914 94 2HE LYS 12 2HE LYS 12 -9.815 -4.537 -0.308 95 1HZ LYS 12 1HZ LYS 12 -11.746 -4.479 1.296 96 2HZ LYS 12 2HZ LYS 12 -12.396 -3.235 0.339 97 3HZ LYS 12 3HZ LYS 12 -12.144 -4.773 -0.328 98 H LYS 13 H LYS 13 -5.078 -3.159 -0.616 99 HA LYS 13 HA LYS 13 -4.662 -3.945 -3.473 100 1HB LYS 13 1HB LYS 13 -2.774 -2.674 -1.492 101 2HB LYS 13 2HB LYS 13 -2.151 -3.647 -2.825 102 1HG LYS 13 1HG LYS 13 -3.734 -2.162 -4.297 103 2HG LYS 13 2HG LYS 13 -3.665 -1.052 -2.927 104 1HD LYS 13 1HD LYS 13 -1.892 -0.402 -4.399 105 2HD LYS 13 2HD LYS 13 -1.128 -1.249 -3.053 106 1HE LYS 13 1HE LYS 13 -0.129 -2.148 -5.048 107 2HE LYS 13 2HE LYS 13 -1.296 -3.371 -4.510 108 1HZ LYS 13 1HZ LYS 13 -2.360 -1.239 -6.172 109 2HZ LYS 13 2HZ LYS 13 -1.317 -2.324 -6.960 110 3HZ LYS 13 3HZ LYS 13 -2.713 -2.898 -6.181 111 H THR 14 H THR 14 -5.831 -5.886 -2.337 112 HA THR 14 HA THR 14 -4.393 -7.459 -0.397 113 HB THR 14 HB THR 14 -6.870 -7.460 -1.843 114 HG1 THR 14 HG1 THR 14 -6.815 -7.661 0.336 115 1HG2 THR 14 1HG2 THR 14 -5.453 -10.144 -1.867 116 2HG2 THR 14 2HG2 THR 14 -7.159 -9.889 -2.231 117 3HG2 THR 14 3HG2 THR 14 -5.919 -9.212 -3.288 118 H CYS 15 H CYS 15 -3.398 -9.602 -0.873 119 HA CYS 15 HA CYS 15 -2.330 -9.896 -3.642 120 1HB CYS 15 1HB CYS 15 -0.046 -10.118 -2.628 121 2HB CYS 15 2HB CYS 15 -0.742 -8.513 -2.396 122 H TYR 16 H TYR 16 -0.830 -12.026 -3.527 123 HA TYR 16 HA TYR 16 -2.440 -14.103 -2.079 124 1HB TYR 16 1HB TYR 16 -1.084 -13.871 -4.735 125 2HB TYR 16 2HB TYR 16 -1.135 -15.467 -3.989 126 HD1 TYR 16 HD1 TYR 16 -3.298 -16.559 -3.480 127 HD2 TYR 16 HD2 TYR 16 -3.099 -12.795 -5.541 128 HE1 TYR 16 HE1 TYR 16 -5.659 -16.825 -4.196 129 HE2 TYR 16 HE2 TYR 16 -5.459 -13.062 -6.258 130 HH TYR 16 HH TYR 16 -7.049 -15.075 -6.630 131 H LYS 17 H LYS 17 0.799 -12.901 -2.781 132 HA LYS 17 HA LYS 17 2.076 -15.084 -1.235 133 1HB LYS 17 1HB LYS 17 2.734 -13.240 -3.340 134 2HB LYS 17 2HB LYS 17 3.887 -13.032 -2.020 135 1HG LYS 17 1HG LYS 17 4.215 -15.524 -2.001 136 2HG LYS 17 2HG LYS 17 3.201 -15.619 -3.442 137 1HD LYS 17 1HD LYS 17 5.608 -13.803 -3.332 138 2HD LYS 17 2HD LYS 17 5.756 -15.496 -3.802 139 1HE LYS 17 1HE LYS 17 3.535 -14.409 -5.239 140 2HE LYS 17 2HE LYS 17 4.898 -13.290 -5.425 141 1HZ LYS 17 1HZ LYS 17 5.638 -16.077 -5.527 142 2HZ LYS 17 2HZ LYS 17 4.614 -15.605 -6.791 143 3HZ LYS 17 3HZ LYS 17 6.089 -14.798 -6.548 144 H LEU 18 H LEU 18 2.068 -14.811 0.972 145 HA LEU 18 HA LEU 18 1.915 -12.146 2.192 146 1HB LEU 18 1HB LEU 18 2.016 -15.016 3.114 147 2HB LEU 18 2HB LEU 18 2.116 -13.689 4.274 148 HG LEU 18 HG LEU 18 -0.112 -14.088 2.257 149 1HD1 LEU 18 1HD1 LEU 18 0.311 -14.946 5.060 150 2HD1 LEU 18 2HD1 LEU 18 -1.252 -14.199 4.728 151 3HD1 LEU 18 3HD1 LEU 18 -0.745 -15.625 3.822 152 1HD2 LEU 18 1HD2 LEU 18 0.799 -11.780 3.642 153 2HD2 LEU 18 2HD2 LEU 18 -0.680 -11.954 2.697 154 3HD2 LEU 18 3HD2 LEU 18 -0.694 -12.295 4.427 155 H GLY 19 H GLY 19 3.657 -11.009 2.978 156 1HA GLY 19 1HA GLY 19 5.833 -10.582 3.774 157 2HA GLY 19 2HA GLY 19 6.116 -12.318 3.818 158 H GLU 20 H GLU 20 8.032 -10.519 2.904 159 HA GLU 20 HA GLU 20 9.321 -9.899 0.994 160 1HB GLU 20 1HB GLU 20 9.066 -12.678 1.556 161 2HB GLU 20 2HB GLU 20 9.153 -12.507 -0.197 162 1HG GLU 20 1HG GLU 20 11.297 -11.711 -0.149 163 2HG GLU 20 2HG GLU 20 11.047 -10.841 1.366 164 H ASN 21 H ASN 21 6.393 -9.482 0.559 165 HA ASN 21 HA ASN 21 5.813 -10.410 -2.157 166 1HB ASN 21 1HB ASN 21 4.117 -10.027 -0.381 167 2HB ASN 21 2HB ASN 21 4.518 -8.308 -0.391 168 1HD2 ASN 21 2HD2 ASN 21 2.125 -10.212 -1.433 169 2HD2 ASN 21 1HD2 ASN 21 1.738 -9.474 -2.912 170 H ASP 22 H ASP 22 7.701 -9.505 -3.298 171 HA ASP 22 HA ASP 22 8.530 -6.810 -3.307 172 1HB ASP 22 1HB ASP 22 8.468 -9.037 -5.344 173 2HB ASP 22 2HB ASP 22 9.165 -7.466 -5.746 174 H PHE 23 H PHE 23 5.678 -8.272 -4.737 175 HA PHE 23 HA PHE 23 4.972 -6.467 -6.754 176 1HB PHE 23 1HB PHE 23 3.809 -8.531 -5.275 177 2HB PHE 23 2HB PHE 23 2.749 -7.150 -4.985 178 HD1 PHE 23 HD1 PHE 23 4.802 -7.837 -8.018 179 HD2 PHE 23 HD2 PHE 23 0.857 -7.671 -6.327 180 HE1 PHE 23 HE1 PHE 23 3.822 -8.109 -10.279 181 HE2 PHE 23 HE2 PHE 23 -0.124 -7.944 -8.589 182 HZ PHE 23 HZ PHE 23 1.360 -8.164 -10.565 183 H CYS 24 H CYS 24 4.175 -6.154 -3.268 184 HA CYS 24 HA CYS 24 3.003 -3.542 -3.502 185 1HB CYS 24 1HB CYS 24 4.386 -4.857 -1.141 186 2HB CYS 24 2HB CYS 24 3.152 -3.600 -1.069 187 H ASN 25 H ASN 25 6.195 -4.469 -2.121 188 HA ASN 25 HA ASN 25 7.325 -1.961 -1.761 189 1HB ASN 25 1HB ASN 25 8.800 -3.573 -1.116 190 2HB ASN 25 2HB ASN 25 8.207 -4.715 -2.315 191 1HD2 ASN 25 2HD2 ASN 25 9.477 -5.014 -4.189 192 2HD2 ASN 25 1HD2 ASN 25 10.854 -4.094 -4.559 193 H ARG 26 H ARG 26 7.391 -3.835 -4.820 194 HA ARG 26 HA ARG 26 8.754 -2.019 -6.466 195 1HB ARG 26 1HB ARG 26 7.517 -4.402 -6.749 196 2HB ARG 26 2HB ARG 26 6.319 -3.371 -7.532 197 1HG ARG 26 1HG ARG 26 7.715 -2.837 -9.277 198 2HG ARG 26 2HG ARG 26 9.166 -2.911 -8.277 199 1HD ARG 26 1HD ARG 26 9.435 -5.184 -8.604 200 2HD ARG 26 2HD ARG 26 7.692 -5.473 -8.749 201 HE ARG 26 HE ARG 26 8.347 -3.849 -10.931 202 1HH1 ARG 26 1HH1 ARG 26 9.312 -6.905 -9.641 203 2HH1 ARG 26 2HH1 ARG 26 9.733 -7.568 -11.185 204 1HH2 ARG 26 1HH2 ARG 26 8.891 -4.704 -12.948 205 2HH2 ARG 26 2HH2 ARG 26 9.504 -6.321 -13.054 206 H GLU 27 H GLU 27 5.230 -2.130 -5.803 207 HA GLU 27 HA GLU 27 4.698 0.311 -7.306 208 1HB GLU 27 1HB GLU 27 3.117 -1.602 -6.935 209 2HB GLU 27 2HB GLU 27 3.046 -1.163 -5.228 210 1HG GLU 27 1HG GLU 27 2.477 1.238 -6.248 211 2HG GLU 27 2HG GLU 27 1.906 0.256 -7.598 212 H CYS 28 H CYS 28 5.522 -0.476 -3.982 213 HA CYS 28 HA CYS 28 4.593 1.945 -2.734 214 1HB CYS 28 1HB CYS 28 5.379 -0.321 -1.750 215 2HB CYS 28 2HB CYS 28 7.010 0.328 -1.915 216 H LYS 29 H LYS 29 7.343 1.205 -4.732 217 HA LYS 29 HA LYS 29 8.837 3.621 -3.905 218 1HB LYS 29 1HB LYS 29 10.542 2.701 -5.337 219 2HB LYS 29 2HB LYS 29 9.818 1.336 -4.485 220 1HG LYS 29 1HG LYS 29 9.339 0.404 -6.477 221 2HG LYS 29 2HG LYS 29 8.245 1.750 -6.803 222 1HD LYS 29 1HD LYS 29 9.627 2.393 -8.460 223 2HD LYS 29 2HD LYS 29 10.846 2.751 -7.236 224 1HE LYS 29 1HE LYS 29 10.503 -0.102 -8.105 225 2HE LYS 29 2HE LYS 29 11.399 1.014 -9.156 226 1HZ LYS 29 1HZ LYS 29 11.882 0.755 -6.239 227 2HZ LYS 29 2HZ LYS 29 12.788 -0.075 -7.412 228 3HZ LYS 29 3HZ LYS 29 12.817 1.619 -7.364 229 H TRP 30 H TRP 30 6.273 4.230 -4.976 230 HA TRP 30 HA TRP 30 6.183 4.709 -7.774 231 1HB TRP 30 1HB TRP 30 4.746 5.391 -5.357 232 2HB TRP 30 2HB TRP 30 4.805 6.783 -6.441 233 HD1 TRP 30 HD1 TRP 30 2.393 4.446 -5.773 234 HE1 TRP 30 HE1 TRP 30 1.130 3.568 -7.844 235 HE3 TRP 30 HE3 TRP 30 5.659 5.825 -9.447 236 HZ2 TRP 30 HZ2 TRP 30 1.463 3.470 -10.687 237 HZ3 TRP 30 HZ3 TRP 30 5.163 5.330 -11.822 238 HH2 TRP 30 HH2 TRP 30 3.071 4.156 -12.447 239 H LYS 31 H LYS 31 5.834 7.383 -8.231 240 HA LYS 31 HA LYS 31 8.516 8.360 -8.510 241 1HB LYS 31 1HB LYS 31 7.463 10.099 -9.677 242 2HB LYS 31 2HB LYS 31 6.267 8.811 -9.791 243 1HG LYS 31 1HG LYS 31 5.073 9.748 -7.839 244 2HG LYS 31 2HG LYS 31 6.262 11.049 -7.744 245 1HD LYS 31 1HD LYS 31 4.992 10.648 -10.397 246 2HD LYS 31 2HD LYS 31 3.940 11.271 -9.126 247 1HE LYS 31 1HE LYS 31 5.336 13.183 -8.767 248 2HE LYS 31 2HE LYS 31 6.659 12.477 -9.717 249 1HZ LYS 31 1HZ LYS 31 5.053 12.389 -11.616 250 2HZ LYS 31 2HZ LYS 31 3.994 13.342 -10.697 251 3HZ LYS 31 3HZ LYS 31 5.511 13.957 -11.151 252 H HIS 32 H HIS 32 5.981 8.991 -6.096 253 HA HIS 32 HA HIS 32 7.998 10.107 -4.274 254 1HB HIS 32 1HB HIS 32 7.449 11.972 -5.810 255 2HB HIS 32 2HB HIS 32 5.745 11.810 -5.384 256 HD1 HIS 32 HD1 HIS 32 8.706 13.620 -4.428 257 HD2 HIS 32 HD2 HIS 32 5.403 12.112 -2.380 258 HE1 HIS 32 HE1 HIS 32 8.634 14.822 -2.200 259 H ILE 33 H ILE 33 7.215 8.409 -2.866 260 HA ILE 33 HA ILE 33 4.483 8.932 -1.734 261 HB ILE 33 HB ILE 33 5.125 6.759 -3.139 262 1HG1 ILE 33 1HG1 ILE 33 3.623 5.457 -1.400 263 2HG1 ILE 33 2HG1 ILE 33 3.484 7.043 -0.643 264 1HG2 ILE 33 1HG2 ILE 33 6.153 6.147 -0.354 265 2HG2 ILE 33 2HG2 ILE 33 5.796 4.921 -1.567 266 3HG2 ILE 33 3HG2 ILE 33 7.076 6.100 -1.857 267 1HD1 ILE 33 1HD1 ILE 33 3.042 7.712 -3.239 268 2HD1 ILE 33 2HD1 ILE 33 2.387 6.075 -3.223 269 3HD1 ILE 33 3HD1 ILE 33 1.750 7.289 -2.114 270 H GLY 34 H GLY 34 7.794 7.818 -1.102 271 1HA GLY 34 1HA GLY 34 9.141 8.345 0.782 272 2HA GLY 34 2HA GLY 34 7.737 9.086 1.546 273 H GLY 35 H GLY 35 9.130 5.934 0.699 274 1HA GLY 35 1HA GLY 35 8.018 4.860 3.232 275 2HA GLY 35 2HA GLY 35 7.600 4.019 1.738 276 H SER 36 H SER 36 9.309 3.198 4.106 277 HA SER 36 HA SER 36 11.925 2.776 2.719 278 1HB SER 36 1HB SER 36 12.217 1.873 5.281 279 2HB SER 36 2HB SER 36 12.491 3.545 4.799 280 HG SER 36 HG SER 36 10.742 2.668 6.522 281 H TYR 37 H TYR 37 9.958 0.873 5.031 282 HA TYR 37 HA TYR 37 10.735 -1.617 3.611 283 1HB TYR 37 1HB TYR 37 10.276 -0.789 6.273 284 2HB TYR 37 2HB TYR 37 8.969 -1.910 5.890 285 HD1 TYR 37 HD1 TYR 37 12.639 -1.632 5.129 286 HD2 TYR 37 HD2 TYR 37 9.398 -4.129 6.442 287 HE1 TYR 37 HE1 TYR 37 14.206 -3.537 5.374 288 HE2 TYR 37 HE2 TYR 37 10.969 -6.035 6.688 289 HH TYR 37 HH TYR 37 13.253 -6.683 5.625 290 H GLY 38 H GLY 38 9.209 -2.895 2.498 291 1HA GLY 38 1HA GLY 38 6.347 -2.203 2.712 292 2HA GLY 38 2HA GLY 38 7.083 -1.954 1.132 293 H TYR 39 H TYR 39 5.247 -4.068 2.747 294 HA TYR 39 HA TYR 39 5.830 -6.260 0.895 295 1HB TYR 39 1HB TYR 39 6.471 -7.862 2.601 296 2HB TYR 39 2HB TYR 39 7.522 -6.457 2.757 297 HD1 TYR 39 HD1 TYR 39 7.202 -4.840 4.601 298 HD2 TYR 39 HD2 TYR 39 4.834 -8.409 4.288 299 HE1 TYR 39 HE1 TYR 39 6.482 -4.569 6.958 300 HE2 TYR 39 HE2 TYR 39 4.118 -8.141 6.645 301 HH TYR 39 HH TYR 39 5.628 -5.966 8.788 302 H CYS 40 H CYS 40 4.248 -8.192 1.593 303 HA CYS 40 HA CYS 40 1.633 -6.890 2.145 304 1HB CYS 40 1HB CYS 40 2.602 -8.772 0.323 305 2HB CYS 40 2HB CYS 40 1.616 -9.716 1.436 306 H TYR 41 H TYR 41 0.518 -7.253 3.999 307 HA TYR 41 HA TYR 41 1.257 -9.590 5.720 308 1HB TYR 41 1HB TYR 41 2.361 -7.546 6.546 309 2HB TYR 41 2HB TYR 41 0.814 -6.699 6.540 310 HD1 TYR 41 HD1 TYR 41 -1.085 -7.634 7.985 311 HD2 TYR 41 HD2 TYR 41 3.011 -8.854 8.412 312 HE1 TYR 41 HE1 TYR 41 -1.581 -8.506 10.252 313 HE2 TYR 41 HE2 TYR 41 2.514 -9.728 10.680 314 HH TYR 41 HH TYR 41 -0.434 -10.409 11.779 315 H GLY 42 H GLY 42 -0.603 -10.769 6.049 316 1HA GLY 42 1HA GLY 42 -2.879 -11.231 6.451 317 2HA GLY 42 2HA GLY 42 -3.092 -9.521 6.838 318 H PHE 43 H PHE 43 -1.751 -10.703 3.808 319 HA PHE 43 HA PHE 43 -2.517 -10.511 1.589 320 1HB PHE 43 1HB PHE 43 -5.208 -10.488 2.994 321 2HB PHE 43 2HB PHE 43 -4.926 -10.869 1.295 322 HD1 PHE 43 HD1 PHE 43 -2.411 -12.455 1.499 323 HD2 PHE 43 HD2 PHE 43 -5.981 -12.541 3.885 324 HE1 PHE 43 HE1 PHE 43 -1.947 -14.813 2.109 325 HE2 PHE 43 HE2 PHE 43 -5.519 -14.900 4.492 326 HZ PHE 43 HZ PHE 43 -3.500 -16.036 3.604 327 H GLY 44 H GLY 44 -1.515 -8.246 1.970 328 1HA GLY 44 1HA GLY 44 -3.108 -6.272 0.706 329 2HA GLY 44 2HA GLY 44 -3.159 -5.961 2.443 330 H CYS 45 H CYS 45 -1.701 -4.719 -0.059 331 HA CYS 45 HA CYS 45 1.123 -4.963 0.480 332 1HB CYS 45 1HB CYS 45 -0.669 -3.038 -1.002 333 2HB CYS 45 2HB CYS 45 1.071 -2.771 -0.909 334 H TYR 46 H TYR 46 2.134 -4.180 2.267 335 HA TYR 46 HA TYR 46 1.008 -1.740 3.607 336 1HB TYR 46 1HB TYR 46 0.980 -4.108 4.692 337 2HB TYR 46 2HB TYR 46 2.717 -3.876 4.887 338 HD1 TYR 46 HD1 TYR 46 -0.575 -2.244 5.601 339 HD2 TYR 46 HD2 TYR 46 3.556 -2.645 6.708 340 HE1 TYR 46 HE1 TYR 46 -0.987 -0.881 7.632 341 HE2 TYR 46 HE2 TYR 46 3.145 -1.283 8.737 342 HH TYR 46 HH TYR 46 0.486 -0.819 10.131 343 H CYS 47 H CYS 47 2.555 -0.155 4.293 344 HA CYS 47 HA CYS 47 5.418 -0.649 3.647 345 1HB CYS 47 1HB CYS 47 3.506 0.961 2.125 346 2HB CYS 47 2HB CYS 47 4.915 1.898 2.630 347 H GLU 48 H GLU 48 6.826 0.886 4.739 348 HA GLU 48 HA GLU 48 5.443 2.414 6.917 349 1HB GLU 48 1HB GLU 48 8.054 0.869 6.906 350 2HB GLU 48 2HB GLU 48 7.423 1.772 8.285 351 1HG GLU 48 1HG GLU 48 5.436 0.352 8.355 352 2HG GLU 48 2HG GLU 48 5.969 -0.506 6.908 353 H GLY 49 H GLY 49 6.429 4.408 7.536 354 1HA GLY 49 1HA GLY 49 8.163 6.099 7.359 355 2HA GLY 49 2HA GLY 49 8.666 5.373 5.832 356 H LEU 50 H LEU 50 5.256 5.791 6.371 357 HA LEU 50 HA LEU 50 5.162 7.717 4.135 358 1HB LEU 50 1HB LEU 50 2.847 6.629 5.742 359 2HB LEU 50 2HB LEU 50 2.859 7.140 4.058 360 HG LEU 50 HG LEU 50 2.927 4.876 3.729 361 1HD1 LEU 50 1HD1 LEU 50 5.278 6.032 3.190 362 2HD1 LEU 50 2HD1 LEU 50 5.830 4.838 4.364 363 3HD1 LEU 50 3HD1 LEU 50 4.989 4.317 2.903 364 1HD2 LEU 50 1HD2 LEU 50 3.369 4.833 6.482 365 2HD2 LEU 50 2HD2 LEU 50 3.066 3.437 5.448 366 3HD2 LEU 50 3HD2 LEU 50 4.722 3.930 5.803 367 HA PRO 51 HA PRO 51 5.172 10.956 7.331 368 1HB PRO 51 1HB PRO 51 4.829 12.866 5.220 369 2HB PRO 51 2HB PRO 51 6.305 12.502 6.119 370 1HG PRO 51 1HG PRO 51 5.641 11.800 3.387 371 2HG PRO 51 2HG PRO 51 7.170 11.571 4.242 372 1HD PRO 51 1HD PRO 51 5.313 9.543 3.486 373 2HD PRO 51 2HD PRO 51 6.752 9.351 4.513 374 H ASP 52 H ASP 52 3.515 12.687 7.851 375 HA ASP 52 HA ASP 52 0.849 11.747 7.719 376 1HB ASP 52 1HB ASP 52 2.014 13.518 9.207 377 2HB ASP 52 2HB ASP 52 1.645 14.656 7.911 378 H SER 53 H SER 53 2.371 14.372 5.814 379 HA SER 53 HA SER 53 0.210 15.086 4.181 380 1HB SER 53 1HB SER 53 3.150 14.822 3.476 381 2HB SER 53 2HB SER 53 1.985 15.839 2.637 382 HG SER 53 HG SER 53 3.077 16.087 5.213 383 H THR 54 H THR 54 2.029 12.104 4.150 384 HA THR 54 HA THR 54 1.481 11.349 1.407 385 HB THR 54 HB THR 54 2.039 9.615 3.841 386 HG1 THR 54 HG1 THR 54 3.677 11.043 3.746 387 1HG2 THR 54 1HG2 THR 54 1.723 9.119 0.989 388 2HG2 THR 54 2HG2 THR 54 3.312 8.614 1.565 389 3HG2 THR 54 3HG2 THR 54 1.854 7.966 2.317 390 H GLN 55 H GLN 55 -0.268 10.203 0.585 391 HA GLN 55 HA GLN 55 -2.662 9.992 2.328 392 1HB GLN 55 1HB GLN 55 -3.015 11.082 0.241 393 2HB GLN 55 2HB GLN 55 -2.071 9.878 -0.635 394 1HG GLN 55 1HG GLN 55 -3.926 8.663 -1.000 395 2HG GLN 55 2HG GLN 55 -4.204 8.539 0.738 396 1HE2 GLN 55 2HE2 GLN 55 -6.134 9.468 1.423 397 2HE2 GLN 55 1HE2 GLN 55 -6.958 10.714 0.616 398 H THR 56 H THR 56 -3.583 7.997 2.869 399 HA THR 56 HA THR 56 -2.580 5.528 1.563 400 HB THR 56 HB THR 56 -0.951 5.915 3.297 401 HG1 THR 56 HG1 THR 56 -2.895 4.149 4.359 402 1HG2 THR 56 1HG2 THR 56 -3.385 6.684 4.860 403 2HG2 THR 56 2HG2 THR 56 -1.995 6.034 5.730 404 3HG2 THR 56 3HG2 THR 56 -1.821 7.493 4.755 405 H TRP 57 H TRP 57 -3.782 3.581 2.484 406 HA TRP 57 HA TRP 57 -6.619 4.056 2.493 407 1HB TRP 57 1HB TRP 57 -5.074 2.011 1.846 408 2HB TRP 57 2HB TRP 57 -5.295 1.568 3.537 409 HD1 TRP 57 HD1 TRP 57 -7.288 2.146 0.312 410 HE1 TRP 57 HE1 TRP 57 -9.568 0.963 0.532 411 HE3 TRP 57 HE3 TRP 57 -7.032 0.633 5.184 412 HZ2 TRP 57 HZ2 TRP 57 -11.085 -0.437 2.515 413 HZ3 TRP 57 HZ3 TRP 57 -8.906 -0.621 6.211 414 HH2 TRP 57 HH2 TRP 57 -10.929 -1.159 4.884 415 HA PRO 58 HA PRO 58 -8.374 3.393 3.103 416 1HB PRO 58 1HB PRO 58 -10.436 4.652 4.540 417 2HB PRO 58 2HB PRO 58 -10.151 2.910 4.447 418 1HG PRO 58 1HG PRO 58 -9.789 4.682 6.719 419 2HG PRO 58 2HG PRO 58 -9.682 2.920 6.664 420 1HD PRO 58 1HD PRO 58 -7.513 4.842 6.821 421 2HD PRO 58 2HD PRO 58 -7.410 3.062 6.842 422 H LEU 59 H LEU 59 -9.944 5.191 2.131 423 HA LEU 59 HA LEU 59 -8.371 7.703 1.939 424 1HB LEU 59 1HB LEU 59 -10.463 6.240 0.362 425 2HB LEU 59 2HB LEU 59 -10.253 7.966 0.079 426 HG LEU 59 HG LEU 59 -8.124 5.819 -0.143 427 1HD1 LEU 59 1HD1 LEU 59 -9.487 7.633 -2.152 428 2HD1 LEU 59 2HD1 LEU 59 -8.057 6.667 -2.515 429 3HD1 LEU 59 3HD1 LEU 59 -9.569 5.872 -2.079 430 1HD2 LEU 59 1HD2 LEU 59 -7.977 8.834 -0.183 431 2HD2 LEU 59 2HD2 LEU 59 -6.965 7.699 0.708 432 3HD2 LEU 59 3HD2 LEU 59 -6.787 7.858 -1.038 433 HA PRO 60 HA PRO 60 -11.052 10.398 4.160 434 1HB PRO 60 1HB PRO 60 -11.883 11.913 1.809 435 2HB PRO 60 2HB PRO 60 -10.833 12.409 3.140 436 1HG PRO 60 1HG PRO 60 -10.031 11.802 0.498 437 2HG PRO 60 2HG PRO 60 -8.974 12.068 1.887 438 1HD PRO 60 1HD PRO 60 -9.507 9.587 0.491 439 2HD PRO 60 2HD PRO 60 -8.376 9.869 1.836 440 H ASN 61 H ASN 61 -13.411 11.658 3.402 441 HA ASN 61 HA ASN 61 -15.434 9.784 3.814 442 1HB ASN 61 1HB ASN 61 -16.892 11.583 3.197 443 2HB ASN 61 2HB ASN 61 -15.437 12.351 3.833 444 1HD2 ASN 61 2HD2 ASN 61 -14.139 13.603 2.370 445 2HD2 ASN 61 1HD2 ASN 61 -14.573 13.864 0.750 446 H LYS 62 H LYS 62 -13.881 10.711 0.794 447 HA LYS 62 HA LYS 62 -15.802 9.188 -0.852 448 1HB LYS 62 1HB LYS 62 -14.654 11.360 -1.481 449 2HB LYS 62 2HB LYS 62 -13.149 10.448 -1.600 450 1HG LYS 62 1HG LYS 62 -13.853 9.261 -3.470 451 2HG LYS 62 2HG LYS 62 -15.561 9.449 -3.074 452 1HD LYS 62 1HD LYS 62 -15.699 11.296 -4.352 453 2HD LYS 62 2HD LYS 62 -14.369 12.044 -3.469 454 1HE LYS 62 1HE LYS 62 -13.859 9.954 -5.600 455 2HE LYS 62 2HE LYS 62 -13.987 11.680 -5.992 456 1HZ LYS 62 1HZ LYS 62 -12.425 11.849 -3.893 457 2HZ LYS 62 2HZ LYS 62 -11.980 10.285 -4.382 458 3HZ LYS 62 3HZ LYS 62 -11.790 11.591 -5.448 459 H THR 63 H THR 63 -15.188 7.163 0.532 460 HA THR 63 HA THR 63 -12.600 5.930 0.171 461 HB THR 63 HB THR 63 -15.143 4.422 0.686 462 HG1 THR 63 HG1 THR 63 -14.092 6.551 2.161 463 1HG2 THR 63 1HG2 THR 63 -12.390 3.946 0.991 464 2HG2 THR 63 2HG2 THR 63 -13.004 4.196 2.624 465 3HG2 THR 63 3HG2 THR 63 -13.709 2.947 1.601 466 H CYS 64 H CYS 64 -12.947 3.416 -0.754 467 HA CYS 64 HA CYS 64 -13.425 3.816 -3.638 468 1HB CYS 64 1HB CYS 64 -11.530 2.518 -2.330 469 2HB CYS 64 2HB CYS 64 -12.713 1.209 -2.328 Start of MODEL 38 1 1H LYS 1 1H LYS 1 5.222 7.796 8.108 2 2H LYS 1 2H LYS 1 4.896 9.192 9.020 3 3H LYS 1 3H LYS 1 5.480 7.791 9.784 4 HA LYS 1 HA LYS 1 3.276 7.553 10.287 5 1HB LYS 1 1HB LYS 1 2.991 9.760 8.975 6 2HB LYS 1 2HB LYS 1 2.582 8.741 7.594 7 1HG LYS 1 1HG LYS 1 1.028 7.639 9.568 8 2HG LYS 1 2HG LYS 1 1.008 9.347 10.011 9 1HD LYS 1 1HD LYS 1 -0.836 8.875 8.471 10 2HD LYS 1 2HD LYS 1 0.348 9.919 7.683 11 1HE LYS 1 1HE LYS 1 1.065 7.146 7.262 12 2HE LYS 1 2HE LYS 1 -0.603 7.438 6.728 13 1HZ LYS 1 1HZ LYS 1 0.432 9.624 5.809 14 2HZ LYS 1 2HZ LYS 1 1.882 8.739 5.845 15 3HZ LYS 1 3HZ LYS 1 0.570 8.187 4.917 16 H ASP 2 H ASP 2 2.099 5.645 9.933 17 HA ASP 2 HA ASP 2 2.989 3.976 7.626 18 1HB ASP 2 1HB ASP 2 1.267 3.172 9.987 19 2HB ASP 2 2HB ASP 2 2.311 2.146 9.003 20 H GLY 3 H GLY 3 1.333 2.794 6.392 21 1HA GLY 3 1HA GLY 3 -1.480 3.439 6.684 22 2HA GLY 3 2HA GLY 3 -0.746 4.317 5.345 23 H TYR 4 H TYR 4 -2.408 2.927 4.167 24 HA TYR 4 HA TYR 4 -1.187 0.272 3.473 25 1HB TYR 4 1HB TYR 4 -3.836 1.083 4.384 26 2HB TYR 4 2HB TYR 4 -3.918 0.219 2.849 27 HD1 TYR 4 HD1 TYR 4 -2.319 -1.927 2.719 28 HD2 TYR 4 HD2 TYR 4 -3.831 -0.172 6.336 29 HE1 TYR 4 HE1 TYR 4 -1.965 -4.074 3.910 30 HE2 TYR 4 HE2 TYR 4 -3.475 -2.317 7.527 31 HH TYR 4 HH TYR 4 -2.217 -5.180 5.812 32 H LEU 5 H LEU 5 -1.674 -0.399 1.200 33 HA LEU 5 HA LEU 5 -1.443 1.881 -0.653 34 1HB LEU 5 1HB LEU 5 -0.765 -0.922 -0.512 35 2HB LEU 5 2HB LEU 5 -1.656 -0.608 -2.002 36 HG LEU 5 HG LEU 5 0.220 1.526 -1.565 37 1HD1 LEU 5 1HD1 LEU 5 1.331 -0.381 -0.236 38 2HD1 LEU 5 2HD1 LEU 5 1.546 -1.178 -1.794 39 3HD1 LEU 5 3HD1 LEU 5 2.301 0.387 -1.493 40 1HD2 LEU 5 1HD2 LEU 5 0.053 -0.705 -3.618 41 2HD2 LEU 5 2HD2 LEU 5 -0.728 0.873 -3.735 42 3HD2 LEU 5 3HD2 LEU 5 1.031 0.753 -3.786 43 H VAL 6 H VAL 6 -2.858 1.812 -2.686 44 HA VAL 6 HA VAL 6 -5.605 0.779 -2.093 45 HB VAL 6 HB VAL 6 -6.484 2.955 -2.803 46 1HG1 VAL 6 1HG1 VAL 6 -5.150 2.404 -0.449 47 2HG1 VAL 6 2HG1 VAL 6 -4.416 3.925 -0.957 48 3HG1 VAL 6 3HG1 VAL 6 -6.161 3.819 -0.731 49 1HG2 VAL 6 1HG2 VAL 6 -3.686 3.279 -3.684 50 2HG2 VAL 6 2HG2 VAL 6 -5.152 4.050 -4.293 51 3HG2 VAL 6 3HG2 VAL 6 -4.348 4.690 -2.859 52 H GLU 7 H GLU 7 -6.948 1.369 -4.297 53 HA GLU 7 HA GLU 7 -5.261 0.399 -6.591 54 1HB GLU 7 1HB GLU 7 -7.216 -0.968 -5.227 55 2HB GLU 7 2HB GLU 7 -8.140 -0.261 -6.553 56 1HG GLU 7 1HG GLU 7 -6.642 -1.236 -8.193 57 2HG GLU 7 2HG GLU 7 -5.566 -1.819 -6.922 58 H LYS 8 H LYS 8 -6.967 0.643 -8.659 59 HA LYS 8 HA LYS 8 -7.056 3.429 -9.251 60 1HB LYS 8 1HB LYS 8 -8.283 2.664 -11.235 61 2HB LYS 8 2HB LYS 8 -6.978 1.535 -10.869 62 1HG LYS 8 1HG LYS 8 -8.615 0.098 -9.650 63 2HG LYS 8 2HG LYS 8 -9.903 1.195 -10.146 64 1HD LYS 8 1HD LYS 8 -8.290 0.440 -12.427 65 2HD LYS 8 2HD LYS 8 -8.905 -0.993 -11.602 66 1HE LYS 8 1HE LYS 8 -10.833 1.254 -12.003 67 2HE LYS 8 2HE LYS 8 -10.385 0.300 -13.431 68 1HZ LYS 8 1HZ LYS 8 -10.727 -1.704 -11.927 69 2HZ LYS 8 2HZ LYS 8 -11.548 -0.652 -10.883 70 3HZ LYS 8 3HZ LYS 8 -12.123 -0.899 -12.463 71 H THR 9 H THR 9 -9.675 1.193 -8.237 72 HA THR 9 HA THR 9 -11.683 3.315 -8.210 73 HB THR 9 HB THR 9 -12.983 1.436 -7.061 74 HG1 THR 9 HG1 THR 9 -11.882 -0.199 -6.389 75 1HG2 THR 9 1HG2 THR 9 -11.723 1.352 -9.752 76 2HG2 THR 9 2HG2 THR 9 -12.519 -0.123 -9.205 77 3HG2 THR 9 3HG2 THR 9 -13.429 1.385 -9.308 78 H GLY 10 H GLY 10 -9.192 2.302 -6.107 79 1HA GLY 10 1HA GLY 10 -8.721 3.817 -4.190 80 2HA GLY 10 2HA GLY 10 -10.454 3.817 -3.858 81 H CYS 11 H CYS 11 -10.651 0.893 -4.441 82 HA CYS 11 HA CYS 11 -10.448 -0.169 -1.842 83 1HB CYS 11 1HB CYS 11 -10.527 -1.255 -4.638 84 2HB CYS 11 2HB CYS 11 -10.255 -2.378 -3.306 85 H LYS 12 H LYS 12 -8.881 -1.799 -1.015 86 HA LYS 12 HA LYS 12 -6.117 -0.940 -1.456 87 1HB LYS 12 1HB LYS 12 -5.743 -2.684 0.336 88 2HB LYS 12 2HB LYS 12 -6.922 -1.450 0.769 89 1HG LYS 12 1HG LYS 12 -8.569 -2.982 0.949 90 2HG LYS 12 2HG LYS 12 -8.187 -3.653 -0.638 91 1HD LYS 12 1HD LYS 12 -7.039 -5.380 0.261 92 2HD LYS 12 2HD LYS 12 -6.163 -4.318 1.364 93 1HE LYS 12 1HE LYS 12 -7.409 -5.405 2.964 94 2HE LYS 12 2HE LYS 12 -8.672 -4.259 2.469 95 1HZ LYS 12 1HZ LYS 12 -8.205 -6.825 1.065 96 2HZ LYS 12 2HZ LYS 12 -9.300 -6.685 2.356 97 3HZ LYS 12 3HZ LYS 12 -9.543 -5.793 0.931 98 H LYS 13 H LYS 13 -4.577 -3.114 -1.295 99 HA LYS 13 HA LYS 13 -5.378 -4.929 -3.545 100 1HB LYS 13 1HB LYS 13 -3.363 -2.896 -3.450 101 2HB LYS 13 2HB LYS 13 -2.553 -4.461 -3.526 102 1HG LYS 13 1HG LYS 13 -4.835 -4.377 -5.325 103 2HG LYS 13 2HG LYS 13 -3.699 -3.075 -5.677 104 1HD LYS 13 1HD LYS 13 -2.339 -5.599 -5.123 105 2HD LYS 13 2HD LYS 13 -3.444 -5.723 -6.493 106 1HE LYS 13 1HE LYS 13 -2.277 -4.146 -7.752 107 2HE LYS 13 2HE LYS 13 -1.610 -3.344 -6.315 108 1HZ LYS 13 1HZ LYS 13 -0.970 -6.157 -6.974 109 2HZ LYS 13 2HZ LYS 13 -0.050 -4.873 -7.592 110 3HZ LYS 13 3HZ LYS 13 -0.153 -5.111 -5.913 111 H THR 14 H THR 14 -5.461 -6.949 -2.629 112 HA THR 14 HA THR 14 -3.789 -7.607 -0.279 113 HB THR 14 HB THR 14 -6.084 -8.821 -1.810 114 HG1 THR 14 HG1 THR 14 -6.209 -7.251 -0.008 115 1HG2 THR 14 1HG2 THR 14 -4.367 -10.203 0.268 116 2HG2 THR 14 2HG2 THR 14 -5.965 -10.764 -0.224 117 3HG2 THR 14 3HG2 THR 14 -4.645 -10.724 -1.393 118 H CYS 15 H CYS 15 -2.311 -9.415 -0.283 119 HA CYS 15 HA CYS 15 -1.386 -10.275 -3.009 120 1HB CYS 15 1HB CYS 15 0.864 -10.112 -2.181 121 2HB CYS 15 2HB CYS 15 0.050 -8.625 -1.700 122 H TYR 16 H TYR 16 0.103 -12.363 -2.632 123 HA TYR 16 HA TYR 16 -1.546 -14.255 -1.008 124 1HB TYR 16 1HB TYR 16 0.171 -14.374 -3.465 125 2HB TYR 16 2HB TYR 16 -0.020 -15.846 -2.511 126 HD1 TYR 16 HD1 TYR 16 -2.284 -16.811 -2.130 127 HD2 TYR 16 HD2 TYR 16 -1.651 -13.467 -4.750 128 HE1 TYR 16 HE1 TYR 16 -4.516 -17.184 -3.144 129 HE2 TYR 16 HE2 TYR 16 -3.882 -13.841 -5.767 130 HH TYR 16 HH TYR 16 -5.496 -15.652 -6.039 131 H LYS 17 H LYS 17 1.908 -13.686 -1.832 132 HA LYS 17 HA LYS 17 2.773 -15.219 0.524 133 1HB LYS 17 1HB LYS 17 3.787 -14.782 -1.950 134 2HB LYS 17 2HB LYS 17 4.650 -13.533 -1.053 135 1HG LYS 17 1HG LYS 17 5.871 -15.724 -1.121 136 2HG LYS 17 2HG LYS 17 5.508 -15.177 0.517 137 1HD LYS 17 1HD LYS 17 3.293 -16.718 -0.492 138 2HD LYS 17 2HD LYS 17 4.784 -17.644 -0.670 139 1HE LYS 17 1HE LYS 17 5.259 -16.862 1.794 140 2HE LYS 17 2HE LYS 17 3.505 -16.594 1.845 141 1HZ LYS 17 1HZ LYS 17 4.725 -19.092 0.810 142 2HZ LYS 17 2HZ LYS 17 4.247 -18.909 2.431 143 3HZ LYS 17 3HZ LYS 17 3.093 -18.810 1.192 144 H LEU 18 H LEU 18 2.476 -14.177 2.459 145 HA LEU 18 HA LEU 18 2.506 -11.298 2.778 146 1HB LEU 18 1HB LEU 18 2.755 -13.574 4.774 147 2HB LEU 18 2HB LEU 18 2.301 -11.913 5.160 148 HG LEU 18 HG LEU 18 0.768 -13.761 3.307 149 1HD1 LEU 18 1HD1 LEU 18 0.153 -12.765 6.107 150 2HD1 LEU 18 2HD1 LEU 18 -0.940 -13.717 5.101 151 3HD1 LEU 18 3HD1 LEU 18 0.574 -14.421 5.670 152 1HD2 LEU 18 1HD2 LEU 18 0.392 -10.900 4.205 153 2HD2 LEU 18 2HD2 LEU 18 0.413 -11.535 2.560 154 3HD2 LEU 18 3HD2 LEU 18 -0.958 -11.871 3.617 155 H GLY 19 H GLY 19 4.044 -10.820 4.992 156 1HA GLY 19 1HA GLY 19 6.266 -10.625 5.801 157 2HA GLY 19 2HA GLY 19 6.766 -11.825 4.610 158 H GLU 20 H GLU 20 8.582 -10.142 4.467 159 HA GLU 20 HA GLU 20 8.194 -7.569 3.296 160 1HB GLU 20 1HB GLU 20 10.313 -9.419 3.980 161 2HB GLU 20 2HB GLU 20 10.655 -8.657 2.426 162 1HG GLU 20 1HG GLU 20 11.571 -7.138 3.970 163 2HG GLU 20 2HG GLU 20 9.988 -6.444 3.619 164 H ASN 21 H ASN 21 6.465 -8.243 1.654 165 HA ASN 21 HA ASN 21 7.199 -9.874 -0.627 166 1HB ASN 21 1HB ASN 21 4.892 -9.016 0.422 167 2HB ASN 21 2HB ASN 21 5.116 -7.724 -0.759 168 1HD2 ASN 21 2HD2 ASN 21 3.150 -10.104 -0.726 169 2HD2 ASN 21 1HD2 ASN 21 3.396 -10.857 -2.227 170 H ASP 22 H ASP 22 9.282 -8.918 -1.233 171 HA ASP 22 HA ASP 22 10.059 -6.353 -1.773 172 1HB ASP 22 1HB ASP 22 10.452 -9.005 -3.048 173 2HB ASP 22 2HB ASP 22 10.950 -7.617 -4.016 174 H PHE 23 H PHE 23 8.149 -8.319 -4.095 175 HA PHE 23 HA PHE 23 7.763 -6.507 -6.156 176 1HB PHE 23 1HB PHE 23 6.824 -8.905 -5.632 177 2HB PHE 23 2HB PHE 23 5.440 -8.023 -4.983 178 HD1 PHE 23 HD1 PHE 23 5.020 -5.782 -6.665 179 HD2 PHE 23 HD2 PHE 23 6.363 -9.709 -7.772 180 HE1 PHE 23 HE1 PHE 23 4.165 -5.425 -8.965 181 HE2 PHE 23 HE2 PHE 23 5.509 -9.351 -10.073 182 HZ PHE 23 HZ PHE 23 4.412 -7.209 -10.669 183 H CYS 24 H CYS 24 5.915 -6.656 -3.101 184 HA CYS 24 HA CYS 24 4.285 -4.334 -3.692 185 1HB CYS 24 1HB CYS 24 3.628 -6.109 -2.125 186 2HB CYS 24 2HB CYS 24 5.030 -5.758 -1.114 187 H ASN 25 H ASN 25 7.122 -4.864 -1.579 188 HA ASN 25 HA ASN 25 7.535 -2.356 -0.481 189 1HB ASN 25 1HB ASN 25 8.897 -4.512 -0.326 190 2HB ASN 25 2HB ASN 25 9.682 -4.019 -1.826 191 1HD2 ASN 25 2HD2 ASN 25 10.606 -4.182 1.159 192 2HD2 ASN 25 1HD2 ASN 25 11.365 -2.684 1.404 193 H ARG 26 H ARG 26 8.867 -3.389 -3.639 194 HA ARG 26 HA ARG 26 9.733 -0.762 -4.433 195 1HB ARG 26 1HB ARG 26 10.782 -2.583 -5.475 196 2HB ARG 26 2HB ARG 26 9.264 -3.449 -5.701 197 1HG ARG 26 1HG ARG 26 9.998 -2.637 -7.863 198 2HG ARG 26 2HG ARG 26 8.589 -1.696 -7.375 199 1HD ARG 26 1HD ARG 26 10.001 0.042 -7.985 200 2HD ARG 26 2HD ARG 26 10.514 -0.143 -6.296 201 HE ARG 26 HE ARG 26 12.025 -2.020 -7.696 202 1HH1 ARG 26 1HH1 ARG 26 11.463 1.385 -7.834 203 2HH1 ARG 26 2HH1 ARG 26 13.031 1.748 -8.472 204 1HH2 ARG 26 1HH2 ARG 26 14.071 -1.561 -8.534 205 2HH2 ARG 26 2HH2 ARG 26 14.507 0.081 -8.871 206 H GLU 27 H GLU 27 6.895 -2.727 -5.402 207 HA GLU 27 HA GLU 27 5.703 -0.790 -7.124 208 1HB GLU 27 1HB GLU 27 5.139 -3.182 -7.047 209 2HB GLU 27 2HB GLU 27 4.501 -2.990 -5.413 210 1HG GLU 27 1HG GLU 27 2.670 -1.695 -6.148 211 2HG GLU 27 2HG GLU 27 3.433 -1.339 -7.699 212 H CYS 28 H CYS 28 5.863 -0.948 -3.658 213 HA CYS 28 HA CYS 28 3.473 0.665 -3.178 214 1HB CYS 28 1HB CYS 28 3.983 -0.772 -1.421 215 2HB CYS 28 2HB CYS 28 5.721 -0.550 -1.607 216 H LYS 29 H LYS 29 6.994 1.310 -2.739 217 HA LYS 29 HA LYS 29 6.312 4.224 -2.829 218 1HB LYS 29 1HB LYS 29 8.323 4.474 -1.457 219 2HB LYS 29 2HB LYS 29 7.261 3.257 -0.751 220 1HG LYS 29 1HG LYS 29 8.891 1.717 -0.899 221 2HG LYS 29 2HG LYS 29 8.985 1.968 -2.643 222 1HD LYS 29 1HD LYS 29 10.587 3.738 -2.389 223 2HD LYS 29 2HD LYS 29 10.339 3.792 -0.643 224 1HE LYS 29 1HE LYS 29 11.026 1.113 -1.221 225 2HE LYS 29 2HE LYS 29 12.160 2.120 -2.143 226 1HZ LYS 29 1HZ LYS 29 11.452 2.691 0.677 227 2HZ LYS 29 2HZ LYS 29 12.767 1.706 0.260 228 3HZ LYS 29 3HZ LYS 29 12.738 3.333 -0.228 229 H TRP 30 H TRP 30 6.716 2.855 -5.362 230 HA TRP 30 HA TRP 30 9.438 3.131 -6.221 231 1HB TRP 30 1HB TRP 30 8.155 3.349 -8.551 232 2HB TRP 30 2HB TRP 30 8.284 1.820 -7.704 233 HD1 TRP 30 HD1 TRP 30 6.088 0.893 -8.750 234 HE1 TRP 30 HE1 TRP 30 3.593 1.365 -8.329 235 HE3 TRP 30 HE3 TRP 30 6.440 5.210 -6.060 236 HZ2 TRP 30 HZ2 TRP 30 1.961 3.313 -7.030 237 HZ3 TRP 30 HZ3 TRP 30 4.405 6.360 -5.247 238 HH2 TRP 30 HH2 TRP 30 2.164 5.414 -5.726 239 H LYS 31 H LYS 31 9.349 4.754 -8.516 240 HA LYS 31 HA LYS 31 9.970 7.003 -8.984 241 1HB LYS 31 1HB LYS 31 7.431 6.648 -9.227 242 2HB LYS 31 2HB LYS 31 7.283 7.515 -7.697 243 1HG LYS 31 1HG LYS 31 8.887 9.246 -8.941 244 2HG LYS 31 2HG LYS 31 8.149 8.526 -10.373 245 1HD LYS 31 1HD LYS 31 6.151 9.523 -9.979 246 2HD LYS 31 2HD LYS 31 6.210 9.151 -8.255 247 1HE LYS 31 1HE LYS 31 7.490 11.093 -7.762 248 2HE LYS 31 2HE LYS 31 7.944 11.323 -9.461 249 1HZ LYS 31 1HZ LYS 31 5.180 11.202 -9.410 250 2HZ LYS 31 2HZ LYS 31 5.609 12.217 -8.117 251 3HZ LYS 31 3HZ LYS 31 6.138 12.577 -9.687 252 H HIS 32 H HIS 32 10.666 6.051 -6.168 253 HA HIS 32 HA HIS 32 11.581 7.044 -4.226 254 1HB HIS 32 1HB HIS 32 12.101 8.642 -6.412 255 2HB HIS 32 2HB HIS 32 11.337 9.776 -5.299 256 HD1 HIS 32 HD1 HIS 32 14.534 9.306 -6.124 257 HD2 HIS 32 HD2 HIS 32 12.644 8.579 -2.481 258 HE1 HIS 32 HE1 HIS 32 16.347 9.343 -4.356 259 H ILE 33 H ILE 33 10.776 7.958 -2.297 260 HA ILE 33 HA ILE 33 8.377 9.680 -2.354 261 HB ILE 33 HB ILE 33 8.429 6.825 -1.340 262 1HG1 ILE 33 1HG1 ILE 33 6.808 8.365 -3.382 263 2HG1 ILE 33 2HG1 ILE 33 7.816 6.943 -3.650 264 1HG2 ILE 33 1HG2 ILE 33 7.375 8.610 0.241 265 2HG2 ILE 33 2HG2 ILE 33 6.110 8.721 -0.982 266 3HG2 ILE 33 3HG2 ILE 33 6.416 7.188 -0.167 267 1HD1 ILE 33 1HD1 ILE 33 6.180 5.845 -1.881 268 2HD1 ILE 33 2HD1 ILE 33 5.093 7.128 -2.412 269 3HD1 ILE 33 3HD1 ILE 33 5.713 5.960 -3.578 270 H GLY 34 H GLY 34 10.027 7.495 -0.020 271 1HA GLY 34 1HA GLY 34 11.331 9.580 1.428 272 2HA GLY 34 2HA GLY 34 9.782 9.246 2.198 273 H GLY 35 H GLY 35 12.167 7.093 0.654 274 1HA GLY 35 1HA GLY 35 13.044 5.054 1.439 275 2HA GLY 35 2HA GLY 35 13.338 5.966 2.921 276 H SER 36 H SER 36 10.074 5.585 1.777 277 HA SER 36 HA SER 36 9.192 4.375 4.238 278 1HB SER 36 1HB SER 36 7.046 4.377 3.075 279 2HB SER 36 2HB SER 36 7.903 5.864 2.679 280 HG SER 36 HG SER 36 7.910 5.252 0.677 281 H TYR 37 H TYR 37 9.393 2.231 4.768 282 HA TYR 37 HA TYR 37 10.115 0.237 2.725 283 1HB TYR 37 1HB TYR 37 10.531 0.670 5.466 284 2HB TYR 37 2HB TYR 37 9.476 -0.742 5.394 285 HD1 TYR 37 HD1 TYR 37 12.014 0.359 2.894 286 HD2 TYR 37 HD2 TYR 37 10.946 -2.536 5.881 287 HE1 TYR 37 HE1 TYR 37 13.938 -1.050 2.215 288 HE2 TYR 37 HE2 TYR 37 12.869 -3.946 5.202 289 HH TYR 37 HH TYR 37 14.897 -3.860 4.059 290 H GLY 38 H GLY 38 8.536 -0.862 1.607 291 1HA GLY 38 1HA GLY 38 5.859 -1.111 2.917 292 2HA GLY 38 2HA GLY 38 6.076 -0.948 1.177 293 H TYR 39 H TYR 39 4.887 -3.106 2.974 294 HA TYR 39 HA TYR 39 5.894 -5.373 1.413 295 1HB TYR 39 1HB TYR 39 6.475 -6.654 3.519 296 2HB TYR 39 2HB TYR 39 7.561 -5.311 3.170 297 HD1 TYR 39 HD1 TYR 39 6.928 -3.009 4.252 298 HD2 TYR 39 HD2 TYR 39 5.482 -6.812 5.626 299 HE1 TYR 39 HE1 TYR 39 6.417 -2.014 6.465 300 HE2 TYR 39 HE2 TYR 39 4.974 -5.819 7.840 301 HH TYR 39 HH TYR 39 5.059 -2.406 8.386 302 H CYS 40 H CYS 40 4.632 -7.466 2.492 303 HA CYS 40 HA CYS 40 1.817 -6.528 2.636 304 1HB CYS 40 1HB CYS 40 3.191 -8.587 1.324 305 2HB CYS 40 2HB CYS 40 2.228 -9.398 2.560 306 H TYR 41 H TYR 41 0.651 -6.632 4.477 307 HA TYR 41 HA TYR 41 1.518 -8.461 6.672 308 1HB TYR 41 1HB TYR 41 2.468 -6.460 7.423 309 2HB TYR 41 2HB TYR 41 1.246 -5.468 6.629 310 HD1 TYR 41 HD1 TYR 41 1.991 -7.573 9.578 311 HD2 TYR 41 HD2 TYR 41 -0.880 -5.001 7.690 312 HE1 TYR 41 HE1 TYR 41 0.708 -7.448 11.698 313 HE2 TYR 41 HE2 TYR 41 -2.167 -4.877 9.806 314 HH TYR 41 HH TYR 41 -2.258 -5.472 11.936 315 H GLY 42 H GLY 42 -0.305 -9.802 6.561 316 1HA GLY 42 1HA GLY 42 -2.539 -10.325 7.208 317 2HA GLY 42 2HA GLY 42 -2.876 -8.596 7.336 318 H PHE 43 H PHE 43 -1.514 -10.384 4.585 319 HA PHE 43 HA PHE 43 -2.253 -10.540 2.348 320 1HB PHE 43 1HB PHE 43 -4.837 -10.397 3.924 321 2HB PHE 43 2HB PHE 43 -4.793 -10.724 2.194 322 HD1 PHE 43 HD1 PHE 43 -3.842 -11.992 5.534 323 HD2 PHE 43 HD2 PHE 43 -3.981 -12.835 1.322 324 HE1 PHE 43 HE1 PHE 43 -3.358 -14.380 5.997 325 HE2 PHE 43 HE2 PHE 43 -3.497 -15.222 1.786 326 HZ PHE 43 HZ PHE 43 -3.186 -15.995 4.122 327 H GLY 44 H GLY 44 -1.343 -8.026 2.894 328 1HA GLY 44 1HA GLY 44 -2.805 -6.378 1.040 329 2HA GLY 44 2HA GLY 44 -3.086 -5.830 2.692 330 H CYS 45 H CYS 45 -1.597 -4.463 0.523 331 HA CYS 45 HA CYS 45 1.243 -4.643 1.220 332 1HB CYS 45 1HB CYS 45 -0.532 -3.257 -0.703 333 2HB CYS 45 2HB CYS 45 0.939 -2.384 -0.277 334 H TYR 46 H TYR 46 1.898 -3.794 3.163 335 HA TYR 46 HA TYR 46 0.629 -1.253 4.111 336 1HB TYR 46 1HB TYR 46 0.765 -3.544 5.412 337 2HB TYR 46 2HB TYR 46 2.423 -3.040 5.735 338 HD1 TYR 46 HD1 TYR 46 -0.874 -1.247 5.542 339 HD2 TYR 46 HD2 TYR 46 2.641 -2.109 7.860 340 HE1 TYR 46 HE1 TYR 46 -1.681 0.268 7.331 341 HE2 TYR 46 HE2 TYR 46 1.830 -0.594 9.649 342 HH TYR 46 HH TYR 46 -0.142 0.417 10.445 343 H CYS 47 H CYS 47 1.957 0.569 4.334 344 HA CYS 47 HA CYS 47 4.893 0.186 3.878 345 1HB CYS 47 1HB CYS 47 2.964 2.137 2.603 346 2HB CYS 47 2HB CYS 47 4.716 2.221 2.413 347 H GLU 48 H GLU 48 6.235 1.664 4.973 348 HA GLU 48 HA GLU 48 4.865 3.541 6.875 349 1HB GLU 48 1HB GLU 48 7.451 2.057 7.388 350 2HB GLU 48 2HB GLU 48 6.374 2.806 8.567 351 1HG GLU 48 1HG GLU 48 4.712 1.009 7.280 352 2HG GLU 48 2HG GLU 48 6.244 0.139 7.356 353 H GLY 49 H GLY 49 5.280 5.455 5.713 354 1HA GLY 49 1HA GLY 49 7.565 6.935 5.995 355 2HA GLY 49 2HA GLY 49 7.924 5.978 4.562 356 H LEU 50 H LEU 50 5.337 5.843 3.501 357 HA LEU 50 HA LEU 50 5.115 7.976 1.767 358 1HB LEU 50 1HB LEU 50 2.462 7.415 2.228 359 2HB LEU 50 2HB LEU 50 3.516 6.450 1.204 360 HG LEU 50 HG LEU 50 3.568 5.826 4.116 361 1HD1 LEU 50 1HD1 LEU 50 1.092 5.975 2.683 362 2HD1 LEU 50 2HD1 LEU 50 1.479 4.276 2.956 363 3HD1 LEU 50 3HD1 LEU 50 1.375 5.388 4.322 364 1HD2 LEU 50 1HD2 LEU 50 4.715 4.709 1.971 365 2HD2 LEU 50 2HD2 LEU 50 4.200 3.741 3.354 366 3HD2 LEU 50 3HD2 LEU 50 3.180 3.841 1.916 367 HA PRO 51 HA PRO 51 4.535 11.270 4.843 368 1HB PRO 51 1HB PRO 51 4.395 13.067 2.582 369 2HB PRO 51 2HB PRO 51 5.694 12.896 3.767 370 1HG PRO 51 1HG PRO 51 5.705 12.062 1.028 371 2HG PRO 51 2HG PRO 51 6.985 11.857 2.228 372 1HD PRO 51 1HD PRO 51 5.287 9.821 1.099 373 2HD PRO 51 2HD PRO 51 6.555 9.621 2.333 374 H ASP 52 H ASP 52 2.772 12.892 5.131 375 HA ASP 52 HA ASP 52 0.179 11.955 4.842 376 1HB ASP 52 1HB ASP 52 1.265 14.040 6.014 377 2HB ASP 52 2HB ASP 52 0.819 14.880 4.528 378 H SER 53 H SER 53 1.674 14.382 2.663 379 HA SER 53 HA SER 53 -0.268 14.705 0.739 380 1HB SER 53 1HB SER 53 1.477 15.718 -0.294 381 2HB SER 53 2HB SER 53 2.479 15.132 1.031 382 HG SER 53 HG SER 53 3.443 14.042 -0.489 383 H THR 54 H THR 54 1.760 11.837 1.197 384 HA THR 54 HA THR 54 1.109 10.517 -1.270 385 HB THR 54 HB THR 54 1.612 8.981 1.241 386 HG1 THR 54 HG1 THR 54 3.760 10.359 0.138 387 1HG2 THR 54 1HG2 THR 54 2.547 9.007 -1.614 388 2HG2 THR 54 2HG2 THR 54 3.509 8.187 -0.385 389 3HG2 THR 54 3HG2 THR 54 1.847 7.681 -0.686 390 H GLN 55 H GLN 55 -0.426 8.761 -1.584 391 HA GLN 55 HA GLN 55 -2.929 9.133 -0.035 392 1HB GLN 55 1HB GLN 55 -2.113 8.509 -2.718 393 2HB GLN 55 2HB GLN 55 -3.154 7.213 -2.128 394 1HG GLN 55 1HG GLN 55 -4.253 9.731 -1.296 395 2HG GLN 55 2HG GLN 55 -3.934 9.795 -3.030 396 1HE2 GLN 55 2HE2 GLN 55 -4.358 7.038 -3.672 397 2HE2 GLN 55 1HE2 GLN 55 -5.997 6.675 -3.422 398 H THR 56 H THR 56 -4.100 7.235 0.787 399 HA THR 56 HA THR 56 -2.705 4.655 0.971 400 HB THR 56 HB THR 56 -1.509 5.938 2.646 401 HG1 THR 56 HG1 THR 56 -2.724 4.865 4.593 402 1HG2 THR 56 1HG2 THR 56 -4.286 6.759 3.511 403 2HG2 THR 56 2HG2 THR 56 -2.877 6.953 4.554 404 3HG2 THR 56 3HG2 THR 56 -2.953 7.799 3.010 405 H TRP 57 H TRP 57 -4.042 3.070 2.213 406 HA TRP 57 HA TRP 57 -6.937 3.606 1.863 407 1HB TRP 57 1HB TRP 57 -5.263 1.547 1.269 408 2HB TRP 57 2HB TRP 57 -5.858 1.019 2.838 409 HD1 TRP 57 HD1 TRP 57 -7.384 2.458 -0.422 410 HE1 TRP 57 HE1 TRP 57 -9.593 1.217 -0.890 411 HE3 TRP 57 HE3 TRP 57 -7.544 -0.620 3.648 412 HZ2 TRP 57 HZ2 TRP 57 -11.213 -0.812 0.300 413 HZ3 TRP 57 HZ3 TRP 57 -9.430 -2.198 3.954 414 HH2 TRP 57 HH2 TRP 57 -11.264 -2.298 2.288 415 HA PRO 58 HA PRO 58 -8.802 2.819 2.595 416 1HB PRO 58 1HB PRO 58 -10.645 4.458 3.965 417 2HB PRO 58 2HB PRO 58 -10.583 2.693 4.001 418 1HG PRO 58 1HG PRO 58 -9.915 4.568 6.113 419 2HG PRO 58 2HG PRO 58 -10.024 2.807 6.195 420 1HD PRO 58 1HD PRO 58 -7.638 4.437 6.170 421 2HD PRO 58 2HD PRO 58 -7.750 2.661 6.261 422 H LEU 59 H LEU 59 -10.321 4.687 1.600 423 HA LEU 59 HA LEU 59 -8.507 6.917 0.882 424 1HB LEU 59 1HB LEU 59 -10.689 5.365 -0.269 425 2HB LEU 59 2HB LEU 59 -10.925 7.094 -0.520 426 HG LEU 59 HG LEU 59 -8.375 7.036 -1.189 427 1HD1 LEU 59 1HD1 LEU 59 -8.965 4.279 -0.745 428 2HD1 LEU 59 2HD1 LEU 59 -8.694 4.500 -2.473 429 3HD1 LEU 59 3HD1 LEU 59 -7.457 4.991 -1.319 430 1HD2 LEU 59 1HD2 LEU 59 -10.531 7.435 -2.602 431 2HD2 LEU 59 2HD2 LEU 59 -9.048 6.992 -3.447 432 3HD2 LEU 59 3HD2 LEU 59 -10.290 5.776 -3.149 433 HA PRO 60 HA PRO 60 -10.525 10.229 2.963 434 1HB PRO 60 1HB PRO 60 -11.466 11.578 0.577 435 2HB PRO 60 2HB PRO 60 -10.110 12.008 1.624 436 1HG PRO 60 1HG PRO 60 -9.969 10.939 -1.006 437 2HG PRO 60 2HG PRO 60 -8.626 11.225 0.105 438 1HD PRO 60 1HD PRO 60 -9.744 8.685 -0.732 439 2HD PRO 60 2HD PRO 60 -8.344 8.977 0.330 440 H ASN 61 H ASN 61 -12.766 11.730 2.257 441 HA ASN 61 HA ASN 61 -14.963 10.272 3.164 442 1HB ASN 61 1HB ASN 61 -16.254 12.089 1.861 443 2HB ASN 61 2HB ASN 61 -15.053 12.652 3.025 444 1HD2 ASN 61 2HD2 ASN 61 -15.238 14.627 1.411 445 2HD2 ASN 61 1HD2 ASN 61 -14.156 14.615 0.103 446 H LYS 62 H LYS 62 -13.509 10.272 0.000 447 HA LYS 62 HA LYS 62 -15.824 8.837 -1.202 448 1HB LYS 62 1HB LYS 62 -13.168 9.689 -2.398 449 2HB LYS 62 2HB LYS 62 -14.624 9.227 -3.281 450 1HG LYS 62 1HG LYS 62 -15.500 11.238 -1.562 451 2HG LYS 62 2HG LYS 62 -13.919 11.804 -2.106 452 1HD LYS 62 1HD LYS 62 -15.011 10.832 -4.438 453 2HD LYS 62 2HD LYS 62 -16.424 11.502 -3.622 454 1HE LYS 62 1HE LYS 62 -15.137 13.638 -3.270 455 2HE LYS 62 2HE LYS 62 -13.839 12.960 -4.271 456 1HZ LYS 62 1HZ LYS 62 -16.572 12.767 -5.289 457 2HZ LYS 62 2HZ LYS 62 -15.841 14.299 -5.331 458 3HZ LYS 62 3HZ LYS 62 -15.116 12.994 -6.134 459 H THR 63 H THR 63 -14.825 7.241 0.746 460 HA THR 63 HA THR 63 -12.580 5.596 0.140 461 HB THR 63 HB THR 63 -15.104 4.649 1.496 462 HG1 THR 63 HG1 THR 63 -14.754 5.982 3.130 463 1HG2 THR 63 1HG2 THR 63 -12.164 4.126 1.674 464 2HG2 THR 63 2HG2 THR 63 -13.141 3.940 3.130 465 3HG2 THR 63 3HG2 THR 63 -13.509 2.984 1.694 466 H CYS 64 H CYS 64 -12.680 3.296 -0.612 467 HA CYS 64 HA CYS 64 -14.017 3.019 -3.138 468 1HB CYS 64 1HB CYS 64 -11.876 1.932 -2.243 469 2HB CYS 64 2HB CYS 64 -12.924 0.816 -1.368 Start of MODEL 39 1 1H LYS 1 1H LYS 1 6.286 6.896 9.532 2 2H LYS 1 2H LYS 1 6.151 7.891 8.162 3 3H LYS 1 3H LYS 1 6.002 8.562 9.712 4 HA LYS 1 HA LYS 1 3.934 7.449 10.094 5 1HB LYS 1 1HB LYS 1 4.444 9.494 8.366 6 2HB LYS 1 2HB LYS 1 3.578 8.384 7.303 7 1HG LYS 1 1HG LYS 1 2.233 8.462 9.835 8 2HG LYS 1 2HG LYS 1 2.481 10.117 9.276 9 1HD LYS 1 1HD LYS 1 1.211 7.872 7.678 10 2HD LYS 1 2HD LYS 1 0.363 9.241 8.396 11 1HE LYS 1 1HE LYS 1 2.658 9.877 6.592 12 2HE LYS 1 2HE LYS 1 1.163 9.293 5.835 13 1HZ LYS 1 1HZ LYS 1 0.207 10.962 7.697 14 2HZ LYS 1 2HZ LYS 1 1.654 11.753 7.289 15 3HZ LYS 1 3HZ LYS 1 0.502 11.414 6.088 16 H ASP 2 H ASP 2 2.694 5.625 9.717 17 HA ASP 2 HA ASP 2 3.519 3.875 7.427 18 1HB ASP 2 1HB ASP 2 1.874 2.710 9.579 19 2HB ASP 2 2HB ASP 2 3.385 2.128 8.890 20 H GLY 3 H GLY 3 1.831 2.895 6.165 21 1HA GLY 3 1HA GLY 3 -0.971 3.423 6.748 22 2HA GLY 3 2HA GLY 3 -0.358 4.421 5.428 23 H TYR 4 H TYR 4 -2.225 2.904 4.488 24 HA TYR 4 HA TYR 4 -0.957 0.384 3.471 25 1HB TYR 4 1HB TYR 4 -3.658 1.224 4.359 26 2HB TYR 4 2HB TYR 4 -3.628 0.183 2.935 27 HD1 TYR 4 HD1 TYR 4 -2.352 -2.014 3.048 28 HD2 TYR 4 HD2 TYR 4 -3.234 0.347 6.526 29 HE1 TYR 4 HE1 TYR 4 -1.923 -3.984 4.493 30 HE2 TYR 4 HE2 TYR 4 -2.805 -1.624 7.971 31 HH TYR 4 HH TYR 4 -2.781 -4.057 7.800 32 H LEU 5 H LEU 5 -1.160 -0.051 1.190 33 HA LEU 5 HA LEU 5 -1.367 2.388 -0.475 34 1HB LEU 5 1HB LEU 5 -0.632 -0.493 -1.097 35 2HB LEU 5 2HB LEU 5 -0.411 0.878 -2.186 36 HG LEU 5 HG LEU 5 0.741 1.250 0.508 37 1HD1 LEU 5 1HD1 LEU 5 1.771 -0.868 -1.396 38 2HD1 LEU 5 2HD1 LEU 5 2.757 -0.149 -0.122 39 3HD1 LEU 5 3HD1 LEU 5 1.317 -1.078 0.296 40 1HD2 LEU 5 1HD2 LEU 5 1.150 2.072 -2.262 41 2HD2 LEU 5 2HD2 LEU 5 1.659 2.871 -0.774 42 3HD2 LEU 5 3HD2 LEU 5 2.666 1.611 -1.488 43 H VAL 6 H VAL 6 -2.597 2.076 -2.640 44 HA VAL 6 HA VAL 6 -5.088 0.458 -2.194 45 HB VAL 6 HB VAL 6 -6.337 2.363 -3.076 46 1HG1 VAL 6 1HG1 VAL 6 -4.726 2.434 -0.685 47 2HG1 VAL 6 2HG1 VAL 6 -4.948 4.069 -1.305 48 3HG1 VAL 6 3HG1 VAL 6 -6.351 3.066 -0.942 49 1HG2 VAL 6 1HG2 VAL 6 -4.177 3.017 -4.493 50 2HG2 VAL 6 2HG2 VAL 6 -5.361 4.238 -4.033 51 3HG2 VAL 6 3HG2 VAL 6 -3.870 4.063 -3.109 52 H GLU 7 H GLU 7 -6.377 0.538 -4.416 53 HA GLU 7 HA GLU 7 -4.489 -0.409 -6.524 54 1HB GLU 7 1HB GLU 7 -6.474 -1.751 -5.589 55 2HB GLU 7 2HB GLU 7 -7.513 -0.601 -6.429 56 1HG GLU 7 1HG GLU 7 -5.364 -1.629 -8.129 57 2HG GLU 7 2HG GLU 7 -6.428 -2.903 -7.533 58 H LYS 8 H LYS 8 -5.578 0.132 -8.857 59 HA LYS 8 HA LYS 8 -5.234 2.849 -9.412 60 1HB LYS 8 1HB LYS 8 -5.733 0.630 -10.847 61 2HB LYS 8 2HB LYS 8 -7.340 1.358 -10.915 62 1HG LYS 8 1HG LYS 8 -5.131 3.252 -11.389 63 2HG LYS 8 2HG LYS 8 -5.286 1.995 -12.616 64 1HD LYS 8 1HD LYS 8 -7.825 2.577 -12.562 65 2HD LYS 8 2HD LYS 8 -7.302 4.072 -11.785 66 1HE LYS 8 1HE LYS 8 -6.472 3.048 -14.521 67 2HE LYS 8 2HE LYS 8 -7.372 4.532 -14.152 68 1HZ LYS 8 1HZ LYS 8 -5.279 4.852 -12.567 69 2HZ LYS 8 2HZ LYS 8 -4.537 3.949 -13.800 70 3HZ LYS 8 3HZ LYS 8 -5.301 5.418 -14.170 71 H THR 9 H THR 9 -8.375 1.199 -8.879 72 HA THR 9 HA THR 9 -9.873 3.693 -8.832 73 HB THR 9 HB THR 9 -11.566 1.917 -7.803 74 HG1 THR 9 HG1 THR 9 -9.551 0.517 -7.602 75 1HG2 THR 9 1HG2 THR 9 -11.565 2.911 -10.114 76 2HG2 THR 9 2HG2 THR 9 -10.503 1.597 -10.621 77 3HG2 THR 9 3HG2 THR 9 -12.135 1.243 -10.054 78 H GLY 10 H GLY 10 -7.976 1.995 -6.515 79 1HA GLY 10 1HA GLY 10 -7.449 3.176 -4.403 80 2HA GLY 10 2HA GLY 10 -9.130 3.708 -4.352 81 H CYS 11 H CYS 11 -8.681 0.478 -5.394 82 HA CYS 11 HA CYS 11 -10.008 -0.527 -2.966 83 1HB CYS 11 1HB CYS 11 -8.952 -2.114 -5.314 84 2HB CYS 11 2HB CYS 11 -10.337 -2.483 -4.288 85 H LYS 12 H LYS 12 -8.999 -1.828 -1.395 86 HA LYS 12 HA LYS 12 -6.215 -1.656 -0.934 87 1HB LYS 12 1HB LYS 12 -6.691 -3.615 0.595 88 2HB LYS 12 2HB LYS 12 -7.802 -2.263 0.790 89 1HG LYS 12 1HG LYS 12 -9.398 -3.884 0.576 90 2HG LYS 12 2HG LYS 12 -9.086 -3.678 -1.148 91 1HD LYS 12 1HD LYS 12 -7.087 -5.413 -0.439 92 2HD LYS 12 2HD LYS 12 -8.396 -5.929 0.626 93 1HE LYS 12 1HE LYS 12 -8.455 -5.734 -2.404 94 2HE LYS 12 2HE LYS 12 -8.699 -7.179 -1.401 95 1HZ LYS 12 1HZ LYS 12 -10.497 -5.589 -0.322 96 2HZ LYS 12 2HZ LYS 12 -10.504 -4.935 -1.890 97 3HZ LYS 12 3HZ LYS 12 -10.859 -6.577 -1.656 98 H LYS 13 H LYS 13 -5.145 -4.142 -0.605 99 HA LYS 13 HA LYS 13 -5.491 -5.745 -3.052 100 1HB LYS 13 1HB LYS 13 -3.079 -5.293 -3.706 101 2HB LYS 13 2HB LYS 13 -4.166 -3.917 -3.900 102 1HG LYS 13 1HG LYS 13 -3.417 -2.960 -1.797 103 2HG LYS 13 2HG LYS 13 -2.437 -4.386 -1.455 104 1HD LYS 13 1HD LYS 13 -0.824 -2.974 -2.344 105 2HD LYS 13 2HD LYS 13 -1.358 -3.808 -3.804 106 1HE LYS 13 1HE LYS 13 -3.163 -1.776 -3.747 107 2HE LYS 13 2HE LYS 13 -1.762 -0.979 -3.003 108 1HZ LYS 13 1HZ LYS 13 -0.503 -2.252 -4.893 109 2HZ LYS 13 2HZ LYS 13 -2.015 -2.188 -5.665 110 3HZ LYS 13 3HZ LYS 13 -1.232 -0.753 -5.204 111 H THR 14 H THR 14 -5.908 -7.143 -1.009 112 HA THR 14 HA THR 14 -3.964 -7.893 0.870 113 HB THR 14 HB THR 14 -6.278 -9.173 -0.528 114 HG1 THR 14 HG1 THR 14 -5.786 -9.257 2.212 115 1HG2 THR 14 1HG2 THR 14 -4.122 -10.682 0.919 116 2HG2 THR 14 2HG2 THR 14 -5.800 -11.200 1.084 117 3HG2 THR 14 3HG2 THR 14 -5.045 -11.151 -0.509 118 H CYS 15 H CYS 15 -2.378 -9.640 0.838 119 HA CYS 15 HA CYS 15 -1.456 -10.392 -1.919 120 1HB CYS 15 1HB CYS 15 0.844 -10.164 -0.941 121 2HB CYS 15 2HB CYS 15 -0.062 -8.649 -0.929 122 H TYR 16 H TYR 16 -0.864 -12.550 -2.170 123 HA TYR 16 HA TYR 16 -1.677 -14.458 -0.123 124 1HB TYR 16 1HB TYR 16 -0.540 -14.455 -2.892 125 2HB TYR 16 2HB TYR 16 -0.415 -15.943 -1.955 126 HD1 TYR 16 HD1 TYR 16 -3.137 -13.476 -1.554 127 HD2 TYR 16 HD2 TYR 16 -1.983 -17.249 -3.250 128 HE1 TYR 16 HE1 TYR 16 -5.514 -13.984 -2.041 129 HE2 TYR 16 HE2 TYR 16 -4.361 -17.757 -3.739 130 HH TYR 16 HH TYR 16 -6.818 -16.512 -2.387 131 H LYS 17 H LYS 17 1.370 -13.129 -1.310 132 HA LYS 17 HA LYS 17 2.993 -14.924 0.389 133 1HB LYS 17 1HB LYS 17 3.407 -13.965 -2.027 134 2HB LYS 17 2HB LYS 17 3.964 -12.534 -1.160 135 1HG LYS 17 1HG LYS 17 5.731 -13.693 -0.124 136 2HG LYS 17 2HG LYS 17 4.998 -15.268 -0.431 137 1HD LYS 17 1HD LYS 17 6.985 -14.606 -1.929 138 2HD LYS 17 2HD LYS 17 5.535 -15.191 -2.745 139 1HE LYS 17 1HE LYS 17 5.015 -13.107 -3.610 140 2HE LYS 17 2HE LYS 17 5.742 -12.244 -2.241 141 1HZ LYS 17 1HZ LYS 17 7.406 -13.897 -4.029 142 2HZ LYS 17 2HZ LYS 17 7.020 -12.299 -4.458 143 3HZ LYS 17 3HZ LYS 17 7.876 -12.615 -3.024 144 H LEU 18 H LEU 18 2.568 -14.279 2.555 145 HA LEU 18 HA LEU 18 2.459 -11.490 3.371 146 1HB LEU 18 1HB LEU 18 2.847 -14.082 4.905 147 2HB LEU 18 2HB LEU 18 2.416 -12.532 5.626 148 HG LEU 18 HG LEU 18 0.780 -14.018 3.550 149 1HD1 LEU 18 1HD1 LEU 18 0.577 -13.719 6.545 150 2HD1 LEU 18 2HD1 LEU 18 -0.846 -14.068 5.564 151 3HD1 LEU 18 3HD1 LEU 18 0.510 -15.195 5.582 152 1HD2 LEU 18 1HD2 LEU 18 0.728 -11.278 4.632 153 2HD2 LEU 18 2HD2 LEU 18 -0.021 -11.923 3.171 154 3HD2 LEU 18 3HD2 LEU 18 -0.823 -12.113 4.731 155 H GLY 19 H GLY 19 4.045 -10.527 4.903 156 1HA GLY 19 1HA GLY 19 6.255 -10.425 5.886 157 2HA GLY 19 2HA GLY 19 6.772 -11.694 4.781 158 H GLU 20 H GLU 20 8.577 -10.059 4.493 159 HA GLU 20 HA GLU 20 8.330 -7.533 3.299 160 1HB GLU 20 1HB GLU 20 10.373 -8.879 4.114 161 2HB GLU 20 2HB GLU 20 10.381 -9.610 2.508 162 1HG GLU 20 1HG GLU 20 11.369 -7.792 1.630 163 2HG GLU 20 2HG GLU 20 10.101 -6.748 2.275 164 H ASN 21 H ASN 21 6.492 -7.653 1.820 165 HA ASN 21 HA ASN 21 6.601 -9.424 -0.515 166 1HB ASN 21 1HB ASN 21 4.557 -8.552 0.768 167 2HB ASN 21 2HB ASN 21 4.845 -7.006 -0.029 168 1HD2 ASN 21 2HD2 ASN 21 3.136 -9.887 -0.362 169 2HD2 ASN 21 1HD2 ASN 21 2.883 -9.846 -2.040 170 H ASP 22 H ASP 22 8.807 -8.566 -1.216 171 HA ASP 22 HA ASP 22 9.508 -6.004 -1.987 172 1HB ASP 22 1HB ASP 22 10.631 -8.354 -2.283 173 2HB ASP 22 2HB ASP 22 9.865 -8.330 -3.871 174 H PHE 23 H PHE 23 7.173 -8.142 -3.555 175 HA PHE 23 HA PHE 23 6.790 -6.825 -6.021 176 1HB PHE 23 1HB PHE 23 5.574 -8.821 -4.422 177 2HB PHE 23 2HB PHE 23 4.294 -7.678 -4.833 178 HD1 PHE 23 HD1 PHE 23 7.259 -9.279 -6.498 179 HD2 PHE 23 HD2 PHE 23 3.150 -8.069 -6.817 180 HE1 PHE 23 HE1 PHE 23 7.165 -10.202 -8.797 181 HE2 PHE 23 HE2 PHE 23 3.056 -8.992 -9.117 182 HZ PHE 23 HZ PHE 23 5.064 -10.058 -10.107 183 H CYS 24 H CYS 24 4.735 -6.361 -3.111 184 HA CYS 24 HA CYS 24 3.496 -3.963 -4.069 185 1HB CYS 24 1HB CYS 24 3.806 -5.455 -1.502 186 2HB CYS 24 2HB CYS 24 3.238 -3.788 -1.397 187 H ASN 25 H ASN 25 6.422 -4.552 -2.142 188 HA ASN 25 HA ASN 25 6.989 -1.914 -1.287 189 1HB ASN 25 1HB ASN 25 8.514 -4.399 -1.960 190 2HB ASN 25 2HB ASN 25 9.441 -2.914 -1.741 191 1HD2 ASN 25 2HD2 ASN 25 10.273 -4.149 0.259 192 2HD2 ASN 25 1HD2 ASN 25 9.356 -4.042 1.683 193 H ARG 26 H ARG 26 7.878 -3.558 -4.333 194 HA ARG 26 HA ARG 26 9.274 -1.418 -5.570 195 1HB ARG 26 1HB ARG 26 8.189 -3.999 -6.185 196 2HB ARG 26 2HB ARG 26 7.744 -2.892 -7.484 197 1HG ARG 26 1HG ARG 26 10.315 -2.156 -7.151 198 2HG ARG 26 2HG ARG 26 10.434 -3.842 -6.645 199 1HD ARG 26 1HD ARG 26 8.852 -3.972 -8.926 200 2HD ARG 26 2HD ARG 26 10.058 -2.739 -9.333 201 HE ARG 26 HE ARG 26 10.556 -5.551 -9.115 202 1HH1 ARG 26 1HH1 ARG 26 11.891 -2.531 -8.057 203 2HH1 ARG 26 2HH1 ARG 26 13.441 -3.211 -7.706 204 1HH2 ARG 26 1HH2 ARG 26 12.575 -6.414 -8.684 205 2HH2 ARG 26 2HH2 ARG 26 13.831 -5.394 -8.066 206 H GLU 27 H GLU 27 5.836 -2.363 -6.061 207 HA GLU 27 HA GLU 27 5.106 -0.034 -7.559 208 1HB GLU 27 1HB GLU 27 3.939 -2.343 -7.126 209 2HB GLU 27 2HB GLU 27 3.242 -1.532 -5.724 210 1HG GLU 27 1HG GLU 27 2.127 0.073 -7.062 211 2HG GLU 27 2HG GLU 27 3.113 -0.301 -8.476 212 H CYS 28 H CYS 28 5.019 -0.750 -4.077 213 HA CYS 28 HA CYS 28 3.616 1.488 -3.114 214 1HB CYS 28 1HB CYS 28 4.243 -0.291 -1.655 215 2HB CYS 28 2HB CYS 28 5.947 -0.142 -2.086 216 H LYS 29 H LYS 29 7.076 1.213 -3.968 217 HA LYS 29 HA LYS 29 7.289 4.192 -3.682 218 1HB LYS 29 1HB LYS 29 9.770 3.597 -3.449 219 2HB LYS 29 2HB LYS 29 8.725 3.066 -2.131 220 1HG LYS 29 1HG LYS 29 9.037 0.867 -2.609 221 2HG LYS 29 2HG LYS 29 8.949 1.137 -4.351 222 1HD LYS 29 1HD LYS 29 11.315 2.401 -3.609 223 2HD LYS 29 2HD LYS 29 11.298 0.937 -2.625 224 1HE LYS 29 1HE LYS 29 10.476 -0.031 -5.071 225 2HE LYS 29 2HE LYS 29 11.645 1.219 -5.538 226 1HZ LYS 29 1HZ LYS 29 12.806 0.078 -3.376 227 2HZ LYS 29 2HZ LYS 29 12.086 -1.260 -4.135 228 3HZ LYS 29 3HZ LYS 29 13.185 -0.294 -4.990 229 H TRP 30 H TRP 30 6.262 2.957 -6.097 230 HA TRP 30 HA TRP 30 8.431 2.761 -8.039 231 1HB TRP 30 1HB TRP 30 6.449 2.717 -9.627 232 2HB TRP 30 2HB TRP 30 6.478 1.463 -8.398 233 HD1 TRP 30 HD1 TRP 30 3.803 1.475 -9.130 234 HE1 TRP 30 HE1 TRP 30 1.843 2.698 -8.008 235 HE3 TRP 30 HE3 TRP 30 6.333 5.137 -6.538 236 HZ2 TRP 30 HZ2 TRP 30 1.387 4.899 -6.271 237 HZ3 TRP 30 HZ3 TRP 30 5.087 6.766 -5.177 238 HH2 TRP 30 HH2 TRP 30 2.619 6.654 -5.033 239 H LYS 31 H LYS 31 8.751 5.208 -6.789 240 HA LYS 31 HA LYS 31 8.975 7.065 -8.901 241 1HB LYS 31 1HB LYS 31 6.304 6.648 -8.019 242 2HB LYS 31 2HB LYS 31 6.783 8.246 -7.446 243 1HG LYS 31 1HG LYS 31 7.788 8.038 -10.076 244 2HG LYS 31 2HG LYS 31 6.143 7.405 -10.136 245 1HD LYS 31 1HD LYS 31 6.247 9.775 -8.478 246 2HD LYS 31 2HD LYS 31 6.910 10.114 -10.077 247 1HE LYS 31 1HE LYS 31 4.672 10.433 -10.573 248 2HE LYS 31 2HE LYS 31 4.726 8.673 -10.796 249 1HZ LYS 31 1HZ LYS 31 4.458 9.516 -8.048 250 2HZ LYS 31 2HZ LYS 31 3.134 9.938 -9.021 251 3HZ LYS 31 3HZ LYS 31 3.614 8.314 -8.901 252 H HIS 32 H HIS 32 8.734 9.503 -7.693 253 HA HIS 32 HA HIS 32 10.620 9.260 -5.411 254 1HB HIS 32 1HB HIS 32 9.638 11.576 -7.109 255 2HB HIS 32 2HB HIS 32 10.864 11.719 -5.848 256 HD1 HIS 32 HD1 HIS 32 12.025 8.748 -6.692 257 HD2 HIS 32 HD2 HIS 32 11.670 12.144 -9.084 258 HE1 HIS 32 HE1 HIS 32 13.689 8.471 -8.582 259 H ILE 33 H ILE 33 9.101 8.629 -3.736 260 HA ILE 33 HA ILE 33 7.282 10.856 -2.874 261 HB ILE 33 HB ILE 33 6.904 7.861 -3.012 262 1HG1 ILE 33 1HG1 ILE 33 6.230 9.408 -4.908 263 2HG1 ILE 33 2HG1 ILE 33 4.911 8.445 -4.237 264 1HG2 ILE 33 1HG2 ILE 33 6.295 8.631 -0.726 265 2HG2 ILE 33 2HG2 ILE 33 5.217 9.831 -1.437 266 3HG2 ILE 33 3HG2 ILE 33 4.883 8.113 -1.647 267 1HD1 ILE 33 1HD1 ILE 33 5.547 11.308 -3.463 268 2HD1 ILE 33 2HD1 ILE 33 4.245 10.813 -4.546 269 3HD1 ILE 33 3HD1 ILE 33 4.206 10.342 -2.847 270 H GLY 34 H GLY 34 9.102 7.969 -1.821 271 1HA GLY 34 1HA GLY 34 10.462 9.212 0.315 272 2HA GLY 34 2HA GLY 34 8.977 8.539 0.986 273 H GLY 35 H GLY 35 8.594 6.212 0.600 274 1HA GLY 35 1HA GLY 35 9.283 3.968 0.502 275 2HA GLY 35 2HA GLY 35 10.704 4.510 -0.387 276 H SER 36 H SER 36 9.366 4.217 2.882 277 HA SER 36 HA SER 36 12.144 4.367 3.984 278 1HB SER 36 1HB SER 36 11.132 5.606 5.584 279 2HB SER 36 2HB SER 36 9.615 5.452 4.704 280 HG SER 36 HG SER 36 10.673 3.674 6.653 281 H TYR 37 H TYR 37 9.126 2.475 4.136 282 HA TYR 37 HA TYR 37 10.630 -0.030 4.425 283 1HB TYR 37 1HB TYR 37 10.147 1.415 6.704 284 2HB TYR 37 2HB TYR 37 8.713 0.389 6.640 285 HD1 TYR 37 HD1 TYR 37 9.019 -2.126 6.376 286 HD2 TYR 37 HD2 TYR 37 12.250 0.532 7.347 287 HE1 TYR 37 HE1 TYR 37 10.355 -4.049 7.191 288 HE2 TYR 37 HE2 TYR 37 13.587 -1.391 8.161 289 HH TYR 37 HH TYR 37 13.316 -4.249 7.441 290 H GLY 38 H GLY 38 9.389 -1.660 3.514 291 1HA GLY 38 1HA GLY 38 6.436 -1.286 3.440 292 2HA GLY 38 2HA GLY 38 7.296 -1.581 1.929 293 H TYR 39 H TYR 39 5.330 -3.162 3.753 294 HA TYR 39 HA TYR 39 6.405 -5.791 3.114 295 1HB TYR 39 1HB TYR 39 6.891 -6.518 5.334 296 2HB TYR 39 2HB TYR 39 7.630 -4.922 5.216 297 HD1 TYR 39 HD1 TYR 39 6.534 -2.948 6.244 298 HD2 TYR 39 HD2 TYR 39 4.991 -6.922 6.766 299 HE1 TYR 39 HE1 TYR 39 5.145 -2.156 8.141 300 HE2 TYR 39 HE2 TYR 39 3.599 -6.132 8.663 301 HH TYR 39 HH TYR 39 3.982 -3.825 10.390 302 H CYS 40 H CYS 40 4.723 -7.376 3.289 303 HA CYS 40 HA CYS 40 2.014 -6.272 3.465 304 1HB CYS 40 1HB CYS 40 3.378 -8.411 2.221 305 2HB CYS 40 2HB CYS 40 2.178 -9.148 3.283 306 H TYR 41 H TYR 41 0.442 -6.845 5.016 307 HA TYR 41 HA TYR 41 1.265 -8.553 7.312 308 1HB TYR 41 1HB TYR 41 1.931 -6.196 7.768 309 2HB TYR 41 2HB TYR 41 0.259 -5.694 7.517 310 HD1 TYR 41 HD1 TYR 41 1.513 -8.778 9.202 311 HD2 TYR 41 HD2 TYR 41 -0.426 -4.973 9.665 312 HE1 TYR 41 HE1 TYR 41 0.988 -9.333 11.562 313 HE2 TYR 41 HE2 TYR 41 -0.952 -5.528 12.025 314 HH TYR 41 HH TYR 41 0.300 -8.457 13.545 315 H GLY 42 H GLY 42 -0.492 -9.731 8.060 316 1HA GLY 42 1HA GLY 42 -2.679 -10.602 8.037 317 2HA GLY 42 2HA GLY 42 -3.165 -8.917 8.234 318 H PHE 43 H PHE 43 -1.552 -10.536 5.499 319 HA PHE 43 HA PHE 43 -2.155 -10.616 3.220 320 1HB PHE 43 1HB PHE 43 -4.875 -10.582 4.570 321 2HB PHE 43 2HB PHE 43 -4.594 -11.042 2.890 322 HD1 PHE 43 HD1 PHE 43 -2.556 -12.801 2.612 323 HD2 PHE 43 HD2 PHE 43 -4.991 -12.318 6.118 324 HE1 PHE 43 HE1 PHE 43 -1.973 -15.100 3.334 325 HE2 PHE 43 HE2 PHE 43 -4.409 -14.618 6.839 326 HZ PHE 43 HZ PHE 43 -2.899 -16.009 5.448 327 H GLY 44 H GLY 44 -1.334 -8.156 3.723 328 1HA GLY 44 1HA GLY 44 -2.916 -6.472 1.992 329 2HA GLY 44 2HA GLY 44 -3.057 -5.955 3.673 330 H CYS 45 H CYS 45 -1.426 -5.187 0.995 331 HA CYS 45 HA CYS 45 1.329 -5.143 1.860 332 1HB CYS 45 1HB CYS 45 -0.267 -3.626 -0.222 333 2HB CYS 45 2HB CYS 45 1.491 -3.556 -0.097 334 H TYR 46 H TYR 46 2.215 -3.806 3.352 335 HA TYR 46 HA TYR 46 0.826 -1.224 3.991 336 1HB TYR 46 1HB TYR 46 1.093 -3.269 5.633 337 2HB TYR 46 2HB TYR 46 2.746 -2.679 5.792 338 HD1 TYR 46 HD1 TYR 46 -0.550 -0.923 5.413 339 HD2 TYR 46 HD2 TYR 46 2.969 -1.522 7.805 340 HE1 TYR 46 HE1 TYR 46 -1.324 0.827 6.992 341 HE2 TYR 46 HE2 TYR 46 2.194 0.225 9.383 342 HH TYR 46 HH TYR 46 -1.003 1.629 9.150 343 H CYS 47 H CYS 47 2.239 0.628 4.343 344 HA CYS 47 HA CYS 47 5.123 0.257 3.710 345 1HB CYS 47 1HB CYS 47 3.039 1.313 1.948 346 2HB CYS 47 2HB CYS 47 4.375 2.445 2.165 347 H GLU 48 H GLU 48 6.421 2.022 4.446 348 HA GLU 48 HA GLU 48 4.987 3.971 6.224 349 1HB GLU 48 1HB GLU 48 7.371 2.220 6.484 350 2HB GLU 48 2HB GLU 48 7.524 3.829 7.189 351 1HG GLU 48 1HG GLU 48 5.377 3.453 8.410 352 2HG GLU 48 2HG GLU 48 5.348 1.804 7.784 353 H GLY 49 H GLY 49 6.025 6.111 6.384 354 1HA GLY 49 1HA GLY 49 7.389 7.896 5.586 355 2HA GLY 49 2HA GLY 49 8.093 6.792 4.404 356 H LEU 50 H LEU 50 4.645 7.338 4.922 357 HA LEU 50 HA LEU 50 4.378 8.077 2.056 358 1HB LEU 50 1HB LEU 50 2.206 7.607 4.107 359 2HB LEU 50 2HB LEU 50 2.109 7.406 2.357 360 HG LEU 50 HG LEU 50 3.825 5.738 4.220 361 1HD1 LEU 50 1HD1 LEU 50 1.101 5.576 3.853 362 2HD1 LEU 50 2HD1 LEU 50 1.705 4.457 2.632 363 3HD1 LEU 50 3HD1 LEU 50 2.135 4.228 4.327 364 1HD2 LEU 50 1HD2 LEU 50 4.583 6.197 1.785 365 2HD2 LEU 50 2HD2 LEU 50 4.492 4.515 2.307 366 3HD2 LEU 50 3HD2 LEU 50 3.205 5.201 1.315 367 HA PRO 51 HA PRO 51 4.392 12.369 3.580 368 1HB PRO 51 1HB PRO 51 3.601 12.986 0.837 369 2HB PRO 51 2HB PRO 51 5.090 13.414 1.687 370 1HG PRO 51 1HG PRO 51 4.797 11.460 -0.349 371 2HG PRO 51 2HG PRO 51 6.233 11.759 0.635 372 1HD PRO 51 1HD PRO 51 4.465 9.474 0.721 373 2HD PRO 51 2HD PRO 51 5.920 9.770 1.705 374 H ASP 52 H ASP 52 2.650 13.912 3.893 375 HA ASP 52 HA ASP 52 0.038 12.810 4.224 376 1HB ASP 52 1HB ASP 52 1.433 15.400 4.439 377 2HB ASP 52 2HB ASP 52 -0.296 15.541 4.118 378 H SER 53 H SER 53 1.526 14.544 1.531 379 HA SER 53 HA SER 53 -1.024 14.923 0.120 380 1HB SER 53 1HB SER 53 1.036 15.402 -1.651 381 2HB SER 53 2HB SER 53 0.366 16.595 -0.543 382 HG SER 53 HG SER 53 2.142 16.505 0.571 383 H THR 54 H THR 54 0.315 12.127 0.769 384 HA THR 54 HA THR 54 0.479 11.061 -2.011 385 HB THR 54 HB THR 54 0.940 9.546 0.556 386 HG1 THR 54 HG1 THR 54 2.396 11.649 -0.531 387 1HG2 THR 54 1HG2 THR 54 2.187 9.459 -2.205 388 2HG2 THR 54 2HG2 THR 54 2.629 8.410 -0.857 389 3HG2 THR 54 3HG2 THR 54 1.015 8.310 -1.560 390 H GLN 55 H GLN 55 -0.810 9.168 -2.583 391 HA GLN 55 HA GLN 55 -3.507 9.187 -1.386 392 1HB GLN 55 1HB GLN 55 -2.184 8.460 -3.867 393 2HB GLN 55 2HB GLN 55 -3.234 7.152 -3.324 394 1HG GLN 55 1HG GLN 55 -4.537 9.713 -2.963 395 2HG GLN 55 2HG GLN 55 -4.024 9.510 -4.638 396 1HE2 GLN 55 2HE2 GLN 55 -4.891 6.794 -2.501 397 2HE2 GLN 55 1HE2 GLN 55 -6.286 6.347 -3.359 398 H THR 56 H THR 56 -4.334 7.498 -0.086 399 HA THR 56 HA THR 56 -2.757 5.002 0.187 400 HB THR 56 HB THR 56 -3.171 5.718 2.808 401 HG1 THR 56 HG1 THR 56 -3.123 7.803 2.995 402 1HG2 THR 56 1HG2 THR 56 -1.098 4.840 1.607 403 2HG2 THR 56 2HG2 THR 56 -0.724 6.522 1.233 404 3HG2 THR 56 3HG2 THR 56 -0.802 5.988 2.912 405 H TRP 57 H TRP 57 -3.908 3.528 1.830 406 HA TRP 57 HA TRP 57 -6.835 3.585 1.300 407 1HB TRP 57 1HB TRP 57 -5.073 1.651 0.970 408 2HB TRP 57 2HB TRP 57 -5.270 1.426 2.705 409 HD1 TRP 57 HD1 TRP 57 -7.575 1.782 -0.391 410 HE1 TRP 57 HE1 TRP 57 -9.570 0.182 -0.083 411 HE3 TRP 57 HE3 TRP 57 -6.467 -0.135 4.209 412 HZ2 TRP 57 HZ2 TRP 57 -10.567 -1.667 1.857 413 HZ3 TRP 57 HZ3 TRP 57 -7.953 -1.813 5.263 414 HH2 TRP 57 HH2 TRP 57 -10.001 -2.582 4.094 415 HA PRO 58 HA PRO 58 -8.554 2.652 2.061 416 1HB PRO 58 1HB PRO 58 -10.756 3.943 3.279 417 2HB PRO 58 2HB PRO 58 -10.326 2.235 3.410 418 1HG PRO 58 1HG PRO 58 -10.185 4.260 5.454 419 2HG PRO 58 2HG PRO 58 -9.808 2.541 5.593 420 1HD PRO 58 1HD PRO 58 -7.962 4.790 5.483 421 2HD PRO 58 2HD PRO 58 -7.597 3.068 5.763 422 H LEU 59 H LEU 59 -10.203 3.919 0.677 423 HA LEU 59 HA LEU 59 -8.998 6.383 -0.271 424 1HB LEU 59 1HB LEU 59 -11.387 4.660 -0.875 425 2HB LEU 59 2HB LEU 59 -11.264 6.247 -1.630 426 HG LEU 59 HG LEU 59 -10.257 4.214 -2.893 427 1HD1 LEU 59 1HD1 LEU 59 -9.836 6.796 -3.164 428 2HD1 LEU 59 2HD1 LEU 59 -8.254 6.413 -2.487 429 3HD1 LEU 59 3HD1 LEU 59 -8.781 5.649 -3.986 430 1HD2 LEU 59 1HD2 LEU 59 -9.053 3.413 -0.789 431 2HD2 LEU 59 2HD2 LEU 59 -8.055 3.516 -2.240 432 3HD2 LEU 59 3HD2 LEU 59 -7.951 4.773 -1.009 433 HA PRO 60 HA PRO 60 -11.163 9.562 1.863 434 1HB PRO 60 1HB PRO 60 -12.437 10.668 -0.491 435 2HB PRO 60 2HB PRO 60 -11.054 11.295 0.410 436 1HG PRO 60 1HG PRO 60 -11.030 10.068 -2.167 437 2HG PRO 60 2HG PRO 60 -9.641 10.616 -1.223 438 1HD PRO 60 1HD PRO 60 -10.431 7.902 -1.792 439 2HD PRO 60 2HD PRO 60 -9.038 8.453 -0.831 440 H ASN 61 H ASN 61 -13.625 10.751 1.280 441 HA ASN 61 HA ASN 61 -15.543 9.106 2.449 442 1HB ASN 61 1HB ASN 61 -15.680 11.361 0.440 443 2HB ASN 61 2HB ASN 61 -17.148 10.640 1.103 444 1HD2 ASN 61 2HD2 ASN 61 -17.242 10.595 3.597 445 2HD2 ASN 61 1HD2 ASN 61 -16.545 11.901 4.428 446 H LYS 62 H LYS 62 -14.380 9.101 -0.841 447 HA LYS 62 HA LYS 62 -16.543 7.258 -1.728 448 1HB LYS 62 1HB LYS 62 -15.787 9.207 -3.103 449 2HB LYS 62 2HB LYS 62 -14.185 8.476 -3.204 450 1HG LYS 62 1HG LYS 62 -14.949 7.437 -5.063 451 2HG LYS 62 2HG LYS 62 -15.852 6.400 -3.960 452 1HD LYS 62 1HD LYS 62 -17.848 7.466 -4.367 453 2HD LYS 62 2HD LYS 62 -17.078 9.028 -4.649 454 1HE LYS 62 1HE LYS 62 -16.099 7.875 -6.795 455 2HE LYS 62 2HE LYS 62 -17.434 6.729 -6.562 456 1HZ LYS 62 1HZ LYS 62 -18.951 8.629 -6.377 457 2HZ LYS 62 2HZ LYS 62 -17.669 9.689 -6.708 458 3HZ LYS 62 3HZ LYS 62 -18.184 8.585 -7.892 459 H THR 63 H THR 63 -16.162 5.139 -1.177 460 HA THR 63 HA THR 63 -13.484 4.074 -0.729 461 HB THR 63 HB THR 63 -15.470 3.323 0.508 462 HG1 THR 63 HG1 THR 63 -13.845 1.803 0.211 463 1HG2 THR 63 1HG2 THR 63 -16.802 3.555 -1.853 464 2HG2 THR 63 2HG2 THR 63 -16.566 1.810 -1.785 465 3HG2 THR 63 3HG2 THR 63 -17.410 2.637 -0.476 466 H CYS 64 H CYS 64 -13.475 1.611 -1.876 467 HA CYS 64 HA CYS 64 -12.646 2.098 -4.587 468 1HB CYS 64 1HB CYS 64 -11.627 0.327 -3.393 469 2HB CYS 64 2HB CYS 64 -13.174 -0.309 -2.840 Start of MODEL 40 1 1H LYS 1 1H LYS 1 4.580 5.981 11.170 2 2H LYS 1 2H LYS 1 4.051 7.398 11.944 3 3H LYS 1 3H LYS 1 3.792 5.883 12.669 4 HA LYS 1 HA LYS 1 1.721 6.189 11.783 5 1HB LYS 1 1HB LYS 1 1.410 7.622 9.811 6 2HB LYS 1 2HB LYS 1 2.463 8.428 10.975 7 1HG LYS 1 1HG LYS 1 4.104 6.806 9.294 8 2HG LYS 1 2HG LYS 1 3.034 7.749 8.257 9 1HD LYS 1 1HD LYS 1 3.687 9.794 9.592 10 2HD LYS 1 2HD LYS 1 4.906 8.800 10.393 11 1HE LYS 1 1HE LYS 1 5.326 8.250 7.699 12 2HE LYS 1 2HE LYS 1 4.970 9.989 7.717 13 1HZ LYS 1 1HZ LYS 1 6.856 8.645 9.578 14 2HZ LYS 1 2HZ LYS 1 7.333 9.480 8.177 15 3HZ LYS 1 3HZ LYS 1 6.572 10.312 9.449 16 H ASP 2 H ASP 2 0.589 4.778 10.368 17 HA ASP 2 HA ASP 2 2.174 3.320 8.304 18 1HB ASP 2 1HB ASP 2 0.570 2.053 10.551 19 2HB ASP 2 2HB ASP 2 1.453 1.185 9.295 20 H GLY 3 H GLY 3 0.775 2.227 6.737 21 1HA GLY 3 1HA GLY 3 -2.120 2.460 6.956 22 2HA GLY 3 2HA GLY 3 -1.435 3.622 5.821 23 H TYR 4 H TYR 4 -3.031 2.046 4.550 24 HA TYR 4 HA TYR 4 -1.448 -0.259 3.470 25 1HB TYR 4 1HB TYR 4 -4.265 0.273 4.126 26 2HB TYR 4 2HB TYR 4 -4.047 -0.443 2.529 27 HD1 TYR 4 HD1 TYR 4 -2.216 -2.411 2.483 28 HD2 TYR 4 HD2 TYR 4 -4.490 -1.201 5.919 29 HE1 TYR 4 HE1 TYR 4 -1.854 -4.641 3.505 30 HE2 TYR 4 HE2 TYR 4 -4.125 -3.431 6.944 31 HH TYR 4 HH TYR 4 -2.135 -5.899 5.318 32 H LEU 5 H LEU 5 -1.942 -0.599 1.027 33 HA LEU 5 HA LEU 5 -1.700 2.049 -0.331 34 1HB LEU 5 1HB LEU 5 -0.443 -0.518 -0.499 35 2HB LEU 5 2HB LEU 5 -1.215 -0.179 -2.048 36 HG LEU 5 HG LEU 5 0.703 1.658 -0.581 37 1HD1 LEU 5 1HD1 LEU 5 1.077 -0.522 -2.442 38 2HD1 LEU 5 2HD1 LEU 5 1.613 0.993 -3.168 39 3HD1 LEU 5 3HD1 LEU 5 2.296 0.461 -1.631 40 1HD2 LEU 5 1HD2 LEU 5 -1.077 2.836 -1.890 41 2HD2 LEU 5 2HD2 LEU 5 0.534 3.080 -2.563 42 3HD2 LEU 5 3HD2 LEU 5 -0.574 1.938 -3.321 43 H VAL 6 H VAL 6 -3.043 2.529 -2.143 44 HA VAL 6 HA VAL 6 -5.494 0.815 -2.365 45 HB VAL 6 HB VAL 6 -6.650 2.872 -2.900 46 1HG1 VAL 6 1HG1 VAL 6 -4.711 3.072 -0.596 47 2HG1 VAL 6 2HG1 VAL 6 -5.919 4.321 -0.897 48 3HG1 VAL 6 3HG1 VAL 6 -6.426 2.669 -0.553 49 1HG2 VAL 6 1HG2 VAL 6 -3.855 4.031 -3.043 50 2HG2 VAL 6 2HG2 VAL 6 -5.055 3.957 -4.333 51 3HG2 VAL 6 3HG2 VAL 6 -5.304 5.031 -2.956 52 H GLU 7 H GLU 7 -6.530 1.778 -4.694 53 HA GLU 7 HA GLU 7 -4.444 1.579 -6.807 54 1HB GLU 7 1HB GLU 7 -6.175 -0.535 -5.874 55 2HB GLU 7 2HB GLU 7 -6.578 -0.143 -7.544 56 1HG GLU 7 1HG GLU 7 -3.729 -0.574 -6.630 57 2HG GLU 7 2HG GLU 7 -4.744 -1.897 -7.208 58 H LYS 8 H LYS 8 -5.467 2.067 -8.996 59 HA LYS 8 HA LYS 8 -6.937 4.426 -9.077 60 1HB LYS 8 1HB LYS 8 -5.805 2.868 -10.896 61 2HB LYS 8 2HB LYS 8 -7.452 2.271 -11.105 62 1HG LYS 8 1HG LYS 8 -8.138 4.179 -12.117 63 2HG LYS 8 2HG LYS 8 -7.281 5.201 -10.962 64 1HD LYS 8 1HD LYS 8 -5.132 4.404 -12.189 65 2HD LYS 8 2HD LYS 8 -6.233 3.923 -13.481 66 1HE LYS 8 1HE LYS 8 -5.773 6.707 -12.373 67 2HE LYS 8 2HE LYS 8 -5.619 6.152 -14.052 68 1HZ LYS 8 1HZ LYS 8 -8.078 5.422 -13.666 69 2HZ LYS 8 2HZ LYS 8 -8.049 6.628 -12.471 70 3HZ LYS 8 3HZ LYS 8 -7.724 7.030 -14.087 71 H THR 9 H THR 9 -8.130 1.137 -8.622 72 HA THR 9 HA THR 9 -10.959 1.925 -8.871 73 HB THR 9 HB THR 9 -11.140 -0.533 -8.005 74 HG1 THR 9 HG1 THR 9 -8.883 -1.413 -8.752 75 1HG2 THR 9 1HG2 THR 9 -11.091 0.472 -10.460 76 2HG2 THR 9 2HG2 THR 9 -9.548 -0.379 -10.534 77 3HG2 THR 9 3HG2 THR 9 -11.032 -1.271 -10.196 78 H GLY 10 H GLY 10 -8.538 1.607 -6.389 79 1HA GLY 10 1HA GLY 10 -8.828 2.725 -4.239 80 2HA GLY 10 2HA GLY 10 -10.557 2.404 -4.345 81 H CYS 11 H CYS 11 -9.568 -0.393 -5.414 82 HA CYS 11 HA CYS 11 -9.800 -1.725 -2.822 83 1HB CYS 11 1HB CYS 11 -9.043 -2.946 -5.487 84 2HB CYS 11 2HB CYS 11 -9.924 -3.701 -4.160 85 H LYS 12 H LYS 12 -8.096 -2.547 -1.604 86 HA LYS 12 HA LYS 12 -5.467 -1.635 -1.836 87 1HB LYS 12 1HB LYS 12 -4.945 -3.516 -0.327 88 2HB LYS 12 2HB LYS 12 -6.474 -2.770 0.117 89 1HG LYS 12 1HG LYS 12 -7.461 -4.578 -1.557 90 2HG LYS 12 2HG LYS 12 -5.964 -5.424 -1.165 91 1HD LYS 12 1HD LYS 12 -6.726 -4.690 1.322 92 2HD LYS 12 2HD LYS 12 -8.310 -4.835 0.559 93 1HE LYS 12 1HE LYS 12 -7.367 -7.119 -0.352 94 2HE LYS 12 2HE LYS 12 -6.229 -6.964 1.002 95 1HZ LYS 12 1HZ LYS 12 -9.116 -6.474 1.380 96 2HZ LYS 12 2HZ LYS 12 -8.493 -8.053 1.459 97 3HZ LYS 12 3HZ LYS 12 -7.945 -6.866 2.544 98 H LYS 13 H LYS 13 -3.621 -3.494 -1.992 99 HA LYS 13 HA LYS 13 -3.923 -4.680 -4.731 100 1HB LYS 13 1HB LYS 13 -2.178 -2.795 -3.926 101 2HB LYS 13 2HB LYS 13 -1.260 -4.227 -3.458 102 1HG LYS 13 1HG LYS 13 -0.746 -4.690 -5.602 103 2HG LYS 13 2HG LYS 13 -2.437 -4.563 -6.091 104 1HD LYS 13 1HD LYS 13 -1.570 -2.784 -7.280 105 2HD LYS 13 2HD LYS 13 -1.953 -1.960 -5.769 106 1HE LYS 13 1HE LYS 13 0.239 -1.532 -5.366 107 2HE LYS 13 2HE LYS 13 0.681 -3.224 -5.664 108 1HZ LYS 13 1HZ LYS 13 -0.162 -1.615 -7.952 109 2HZ LYS 13 2HZ LYS 13 1.385 -1.311 -7.319 110 3HZ LYS 13 3HZ LYS 13 0.982 -2.865 -7.875 111 H THR 14 H THR 14 -5.008 -6.359 -3.072 112 HA THR 14 HA THR 14 -3.771 -8.005 -1.274 113 HB THR 14 HB THR 14 -5.469 -8.714 -3.686 114 HG1 THR 14 HG1 THR 14 -6.928 -7.844 -2.485 115 1HG2 THR 14 1HG2 THR 14 -4.202 -10.676 -2.701 116 2HG2 THR 14 2HG2 THR 14 -5.063 -10.375 -1.192 117 3HG2 THR 14 3HG2 THR 14 -5.958 -10.819 -2.644 118 H CYS 15 H CYS 15 -2.038 -9.404 -1.265 119 HA CYS 15 HA CYS 15 -0.765 -10.073 -3.900 120 1HB CYS 15 1HB CYS 15 1.360 -9.654 -2.868 121 2HB CYS 15 2HB CYS 15 0.326 -8.297 -2.425 122 H TYR 16 H TYR 16 1.028 -11.901 -3.260 123 HA TYR 16 HA TYR 16 -0.506 -14.030 -1.810 124 1HB TYR 16 1HB TYR 16 1.091 -13.861 -4.310 125 2HB TYR 16 2HB TYR 16 1.298 -15.340 -3.369 126 HD1 TYR 16 HD1 TYR 16 -1.346 -15.686 -2.139 127 HD2 TYR 16 HD2 TYR 16 -0.304 -14.452 -6.119 128 HE1 TYR 16 HE1 TYR 16 -3.529 -16.520 -2.968 129 HE2 TYR 16 HE2 TYR 16 -2.487 -15.286 -6.948 130 HH TYR 16 HH TYR 16 -4.743 -16.983 -4.794 131 H LYS 17 H LYS 17 2.760 -12.724 -2.428 132 HA LYS 17 HA LYS 17 3.980 -14.386 -0.341 133 1HB LYS 17 1HB LYS 17 4.900 -12.037 -2.032 134 2HB LYS 17 2HB LYS 17 5.958 -12.913 -0.924 135 1HG LYS 17 1HG LYS 17 5.508 -15.010 -2.140 136 2HG LYS 17 2HG LYS 17 4.446 -14.140 -3.248 137 1HD LYS 17 1HD LYS 17 7.302 -13.268 -2.840 138 2HD LYS 17 2HD LYS 17 6.900 -14.543 -3.990 139 1HE LYS 17 1HE LYS 17 5.075 -12.335 -4.351 140 2HE LYS 17 2HE LYS 17 6.750 -11.752 -4.438 141 1HZ LYS 17 1HZ LYS 17 7.195 -13.771 -5.852 142 2HZ LYS 17 2HZ LYS 17 5.515 -13.971 -5.969 143 3HZ LYS 17 3HZ LYS 17 6.245 -12.564 -6.580 144 H LEU 18 H LEU 18 2.641 -13.732 1.493 145 HA LEU 18 HA LEU 18 2.101 -11.137 2.399 146 1HB LEU 18 1HB LEU 18 2.696 -13.753 3.786 147 2HB LEU 18 2HB LEU 18 2.185 -12.326 4.685 148 HG LEU 18 HG LEU 18 0.664 -13.703 2.455 149 1HD1 LEU 18 1HD1 LEU 18 0.737 -14.566 4.936 150 2HD1 LEU 18 2HD1 LEU 18 -0.321 -13.191 5.248 151 3HD1 LEU 18 3HD1 LEU 18 -0.814 -14.442 4.107 152 1HD2 LEU 18 1HD2 LEU 18 0.182 -11.111 3.941 153 2HD2 LEU 18 2HD2 LEU 18 0.264 -11.358 2.196 154 3HD2 LEU 18 3HD2 LEU 18 -1.110 -11.979 3.111 155 H GLY 19 H GLY 19 3.310 -9.533 3.314 156 1HA GLY 19 1HA GLY 19 5.195 -8.367 4.073 157 2HA GLY 19 2HA GLY 19 5.623 -9.859 4.906 158 H GLU 20 H GLU 20 7.669 -8.370 3.948 159 HA GLU 20 HA GLU 20 9.469 -8.312 2.402 160 1HB GLU 20 1HB GLU 20 8.978 -10.808 3.613 161 2HB GLU 20 2HB GLU 20 9.388 -11.171 1.936 162 1HG GLU 20 1HG GLU 20 11.489 -10.106 2.093 163 2HG GLU 20 2HG GLU 20 11.032 -9.226 3.551 164 H ASN 21 H ASN 21 7.134 -7.672 0.990 165 HA ASN 21 HA ASN 21 7.279 -9.354 -1.482 166 1HB ASN 21 1HB ASN 21 5.108 -8.857 -0.157 167 2HB ASN 21 2HB ASN 21 5.240 -7.226 -0.819 168 1HD2 ASN 21 2HD2 ASN 21 3.620 -10.003 -1.422 169 2HD2 ASN 21 1HD2 ASN 21 3.550 -9.959 -3.117 170 H ASP 22 H ASP 22 9.379 -8.199 -1.970 171 HA ASP 22 HA ASP 22 9.910 -5.525 -2.280 172 1HB ASP 22 1HB ASP 22 10.771 -8.005 -3.385 173 2HB ASP 22 2HB ASP 22 10.636 -6.859 -4.720 174 H PHE 23 H PHE 23 8.178 -7.470 -4.759 175 HA PHE 23 HA PHE 23 7.599 -5.562 -6.672 176 1HB PHE 23 1HB PHE 23 6.730 -8.087 -5.978 177 2HB PHE 23 2HB PHE 23 5.254 -7.133 -5.824 178 HD1 PHE 23 HD1 PHE 23 8.096 -7.837 -8.152 179 HD2 PHE 23 HD2 PHE 23 4.040 -6.480 -7.738 180 HE1 PHE 23 HE1 PHE 23 7.851 -7.810 -10.620 181 HE2 PHE 23 HE2 PHE 23 3.798 -6.452 -10.207 182 HZ PHE 23 HZ PHE 23 5.703 -7.117 -11.647 183 H CYS 24 H CYS 24 5.896 -5.997 -3.564 184 HA CYS 24 HA CYS 24 3.969 -3.894 -3.977 185 1HB CYS 24 1HB CYS 24 3.759 -5.760 -2.364 186 2HB CYS 24 2HB CYS 24 5.129 -5.123 -1.453 187 H ASN 25 H ASN 25 6.882 -3.967 -1.869 188 HA ASN 25 HA ASN 25 6.955 -1.266 -1.120 189 1HB ASN 25 1HB ASN 25 9.228 -3.144 -1.859 190 2HB ASN 25 2HB ASN 25 9.402 -1.685 -0.884 191 1HD2 ASN 25 2HD2 ASN 25 10.150 -3.199 0.881 192 2HD2 ASN 25 1HD2 ASN 25 8.985 -4.017 1.805 193 H ARG 26 H ARG 26 8.441 -2.764 -4.010 194 HA ARG 26 HA ARG 26 9.601 -0.505 -5.197 195 1HB ARG 26 1HB ARG 26 9.852 -2.769 -6.044 196 2HB ARG 26 2HB ARG 26 8.124 -2.877 -6.383 197 1HG ARG 26 1HG ARG 26 8.607 -2.140 -8.458 198 2HG ARG 26 2HG ARG 26 8.921 -0.570 -7.720 199 1HD ARG 26 1HD ARG 26 11.219 -2.264 -7.338 200 2HD ARG 26 2HD ARG 26 10.791 -2.239 -9.057 201 HE ARG 26 HE ARG 26 11.971 -0.069 -7.627 202 1HH1 ARG 26 1HH1 ARG 26 9.334 -0.681 -9.793 203 2HH1 ARG 26 2HH1 ARG 26 9.137 0.987 -10.206 204 1HH2 ARG 26 1HH2 ARG 26 11.729 2.083 -8.188 205 2HH2 ARG 26 2HH2 ARG 26 10.491 2.546 -9.307 206 H GLU 27 H GLU 27 6.207 -1.613 -5.382 207 HA GLU 27 HA GLU 27 5.374 0.625 -7.074 208 1HB GLU 27 1HB GLU 27 3.729 -1.275 -5.373 209 2HB GLU 27 2HB GLU 27 3.196 -0.391 -6.801 210 1HG GLU 27 1HG GLU 27 5.576 -2.064 -7.257 211 2HG GLU 27 2HG GLU 27 4.128 -2.976 -6.829 212 H CYS 28 H CYS 28 4.935 -0.290 -3.629 213 HA CYS 28 HA CYS 28 3.370 1.707 -2.589 214 1HB CYS 28 1HB CYS 28 4.589 -0.091 -1.351 215 2HB CYS 28 2HB CYS 28 6.077 0.843 -1.516 216 H LYS 29 H LYS 29 6.921 2.147 -2.686 217 HA LYS 29 HA LYS 29 6.622 5.072 -2.662 218 1HB LYS 29 1HB LYS 29 9.128 4.926 -2.733 219 2HB LYS 29 2HB LYS 29 8.438 3.933 -1.449 220 1HG LYS 29 1HG LYS 29 8.774 1.928 -2.658 221 2HG LYS 29 2HG LYS 29 8.994 2.784 -4.184 222 1HD LYS 29 1HD LYS 29 10.901 3.556 -2.072 223 2HD LYS 29 2HD LYS 29 11.047 1.882 -2.609 224 1HE LYS 29 1HE LYS 29 10.680 3.490 -4.943 225 2HE LYS 29 2HE LYS 29 11.951 4.243 -3.961 226 1HZ LYS 29 1HZ LYS 29 12.546 1.664 -3.662 227 2HZ LYS 29 2HZ LYS 29 11.906 1.631 -5.235 228 3HZ LYS 29 3HZ LYS 29 13.222 2.638 -4.878 229 H TRP 30 H TRP 30 5.244 4.400 -4.812 230 HA TRP 30 HA TRP 30 6.027 3.644 -7.240 231 1HB TRP 30 1HB TRP 30 4.308 5.695 -6.221 232 2HB TRP 30 2HB TRP 30 5.038 6.252 -7.719 233 HD1 TRP 30 HD1 TRP 30 4.494 4.968 -9.893 234 HE1 TRP 30 HE1 TRP 30 2.703 3.212 -10.519 235 HE3 TRP 30 HE3 TRP 30 2.914 3.692 -5.260 236 HZ2 TRP 30 HZ2 TRP 30 0.818 1.508 -9.197 237 HZ3 TRP 30 HZ3 TRP 30 1.110 2.012 -4.939 238 HH2 TRP 30 HH2 TRP 30 0.065 0.915 -6.905 239 H LYS 31 H LYS 31 7.089 6.793 -5.903 240 HA LYS 31 HA LYS 31 9.484 6.659 -7.672 241 1HB LYS 31 1HB LYS 31 7.152 8.315 -8.011 242 2HB LYS 31 2HB LYS 31 8.542 9.340 -7.653 243 1HG LYS 31 1HG LYS 31 9.454 8.959 -9.680 244 2HG LYS 31 2HG LYS 31 9.225 7.216 -9.527 245 1HD LYS 31 1HD LYS 31 7.628 7.418 -11.112 246 2HD LYS 31 2HD LYS 31 6.640 8.189 -9.872 247 1HE LYS 31 1HE LYS 31 8.473 9.578 -11.861 248 2HE LYS 31 2HE LYS 31 6.705 9.708 -11.757 249 1HZ LYS 31 1HZ LYS 31 7.145 10.386 -9.344 250 2HZ LYS 31 2HZ LYS 31 8.740 10.683 -9.847 251 3HZ LYS 31 3HZ LYS 31 7.451 11.537 -10.552 252 H HIS 32 H HIS 32 7.921 8.995 -5.439 253 HA HIS 32 HA HIS 32 10.280 8.789 -3.631 254 1HB HIS 32 1HB HIS 32 9.586 10.963 -5.478 255 2HB HIS 32 2HB HIS 32 9.812 11.516 -3.819 256 HD1 HIS 32 HD1 HIS 32 11.695 8.612 -5.345 257 HD2 HIS 32 HD2 HIS 32 12.407 12.545 -4.156 258 HE1 HIS 32 HE1 HIS 32 14.202 8.955 -5.467 259 H ILE 33 H ILE 33 9.073 8.111 -1.842 260 HA ILE 33 HA ILE 33 6.870 9.949 -0.962 261 HB ILE 33 HB ILE 33 7.117 6.928 -0.880 262 1HG1 ILE 33 1HG1 ILE 33 6.324 8.009 -2.996 263 2HG1 ILE 33 2HG1 ILE 33 5.089 7.003 -2.237 264 1HG2 ILE 33 1HG2 ILE 33 6.200 7.811 1.257 265 2HG2 ILE 33 2HG2 ILE 33 4.966 8.682 0.347 266 3HG2 ILE 33 3HG2 ILE 33 4.991 6.919 0.335 267 1HD1 ILE 33 1HD1 ILE 33 4.383 9.229 -1.046 268 2HD1 ILE 33 2HD1 ILE 33 5.268 10.001 -2.362 269 3HD1 ILE 33 3HD1 ILE 33 3.894 8.955 -2.718 270 H GLY 34 H GLY 34 9.517 7.782 -0.028 271 1HA GLY 34 1HA GLY 34 11.020 8.255 1.796 272 2HA GLY 34 2HA GLY 34 9.800 9.321 2.488 273 H GLY 35 H GLY 35 9.606 5.925 1.426 274 1HA GLY 35 1HA GLY 35 8.186 5.258 3.920 275 2HA GLY 35 2HA GLY 35 8.449 4.169 2.557 276 H SER 36 H SER 36 8.987 3.784 5.489 277 HA SER 36 HA SER 36 11.952 3.458 5.451 278 1HB SER 36 1HB SER 36 11.812 3.947 7.669 279 2HB SER 36 2HB SER 36 10.202 4.533 7.279 280 HG SER 36 HG SER 36 9.341 2.756 8.105 281 H TYR 37 H TYR 37 8.911 1.661 6.011 282 HA TYR 37 HA TYR 37 10.401 -0.859 5.438 283 1HB TYR 37 1HB TYR 37 9.966 -0.078 7.987 284 2HB TYR 37 2HB TYR 37 8.430 -0.885 7.673 285 HD1 TYR 37 HD1 TYR 37 8.933 -3.128 6.050 286 HD2 TYR 37 HD2 TYR 37 11.472 -1.473 9.095 287 HE1 TYR 37 HE1 TYR 37 10.028 -5.334 6.336 288 HE2 TYR 37 HE2 TYR 37 12.567 -3.680 9.380 289 HH TYR 37 HH TYR 37 11.418 -6.541 7.628 290 H GLY 38 H GLY 38 9.201 -0.882 3.422 291 1HA GLY 38 1HA GLY 38 6.249 -0.949 3.583 292 2HA GLY 38 2HA GLY 38 7.204 -0.990 2.099 293 H TYR 39 H TYR 39 5.027 -2.826 2.996 294 HA TYR 39 HA TYR 39 6.189 -5.317 2.151 295 1HB TYR 39 1HB TYR 39 6.151 -6.460 4.357 296 2HB TYR 39 2HB TYR 39 7.283 -5.107 4.356 297 HD1 TYR 39 HD1 TYR 39 3.802 -6.082 5.283 298 HD2 TYR 39 HD2 TYR 39 7.021 -3.297 5.861 299 HE1 TYR 39 HE1 TYR 39 2.570 -5.049 7.172 300 HE2 TYR 39 HE2 TYR 39 5.789 -2.264 7.750 301 HH TYR 39 HH TYR 39 3.816 -3.321 9.452 302 H CYS 40 H CYS 40 4.564 -7.001 2.029 303 HA CYS 40 HA CYS 40 1.816 -6.002 1.932 304 1HB CYS 40 1HB CYS 40 3.222 -7.810 0.536 305 2HB CYS 40 2HB CYS 40 2.523 -8.899 1.733 306 H TYR 41 H TYR 41 0.044 -6.952 3.184 307 HA TYR 41 HA TYR 41 0.683 -8.647 5.506 308 1HB TYR 41 1HB TYR 41 1.347 -6.264 6.060 309 2HB TYR 41 2HB TYR 41 -0.352 -5.823 5.889 310 HD1 TYR 41 HD1 TYR 41 -2.017 -7.502 7.200 311 HD2 TYR 41 HD2 TYR 41 2.095 -6.765 8.203 312 HE1 TYR 41 HE1 TYR 41 -2.448 -8.256 9.524 313 HE2 TYR 41 HE2 TYR 41 1.664 -7.518 10.527 314 HH TYR 41 HH TYR 41 -0.432 -7.632 12.060 315 H GLY 42 H GLY 42 -1.186 -9.723 6.205 316 1HA GLY 42 1HA GLY 42 -3.384 -10.543 5.968 317 2HA GLY 42 2HA GLY 42 -3.836 -8.842 6.119 318 H PHE 43 H PHE 43 -1.933 -10.347 3.535 319 HA PHE 43 HA PHE 43 -2.305 -10.429 1.208 320 1HB PHE 43 1HB PHE 43 -5.115 -10.541 2.340 321 2HB PHE 43 2HB PHE 43 -4.762 -10.767 0.629 322 HD1 PHE 43 HD1 PHE 43 -2.785 -12.493 0.131 323 HD2 PHE 43 HD2 PHE 43 -5.160 -12.423 3.709 324 HE1 PHE 43 HE1 PHE 43 -2.210 -14.866 0.561 325 HE2 PHE 43 HE2 PHE 43 -4.586 -14.794 4.139 326 HZ PHE 43 HZ PHE 43 -3.111 -16.016 2.565 327 H GLY 44 H GLY 44 -1.510 -8.025 1.631 328 1HA GLY 44 1HA GLY 44 -2.928 -6.321 -0.161 329 2HA GLY 44 2HA GLY 44 -3.315 -5.841 1.491 330 H CYS 45 H CYS 45 -1.783 -4.305 -0.471 331 HA CYS 45 HA CYS 45 1.039 -4.458 0.280 332 1HB CYS 45 1HB CYS 45 -0.728 -3.065 -1.594 333 2HB CYS 45 2HB CYS 45 0.545 -2.021 -0.962 334 H TYR 46 H TYR 46 1.593 -3.824 2.336 335 HA TYR 46 HA TYR 46 0.260 -1.392 3.482 336 1HB TYR 46 1HB TYR 46 0.106 -3.727 4.570 337 2HB TYR 46 2HB TYR 46 1.815 -3.527 4.959 338 HD1 TYR 46 HD1 TYR 46 -1.599 -2.296 5.593 339 HD2 TYR 46 HD2 TYR 46 2.558 -1.846 6.569 340 HE1 TYR 46 HE1 TYR 46 -2.213 -0.911 7.557 341 HE2 TYR 46 HE2 TYR 46 1.946 -0.459 8.532 342 HH TYR 46 HH TYR 46 -1.004 -0.379 9.877 343 H CYS 47 H CYS 47 1.653 0.214 4.451 344 HA CYS 47 HA CYS 47 4.597 -0.166 4.113 345 1HB CYS 47 1HB CYS 47 2.774 1.773 2.723 346 2HB CYS 47 2HB CYS 47 4.423 2.274 3.095 347 H GLU 48 H GLU 48 5.742 0.822 5.746 348 HA GLU 48 HA GLU 48 4.202 2.504 7.688 349 1HB GLU 48 1HB GLU 48 6.636 0.708 7.902 350 2HB GLU 48 2HB GLU 48 6.096 1.750 9.219 351 1HG GLU 48 1HG GLU 48 3.781 0.611 8.858 352 2HG GLU 48 2HG GLU 48 4.705 -0.629 8.009 353 H GLY 49 H GLY 49 4.871 4.616 7.969 354 1HA GLY 49 1HA GLY 49 6.691 6.263 8.184 355 2HA GLY 49 2HA GLY 49 7.570 5.375 6.938 356 H LEU 50 H LEU 50 4.134 6.043 6.719 357 HA LEU 50 HA LEU 50 4.561 7.443 4.165 358 1HB LEU 50 1HB LEU 50 2.054 6.771 5.739 359 2HB LEU 50 2HB LEU 50 2.117 7.239 4.038 360 HG LEU 50 HG LEU 50 3.538 4.812 5.166 361 1HD1 LEU 50 1HD1 LEU 50 0.800 5.107 4.903 362 2HD1 LEU 50 2HD1 LEU 50 1.264 4.380 3.364 363 3HD1 LEU 50 3HD1 LEU 50 1.666 3.570 4.877 364 1HD2 LEU 50 1HD2 LEU 50 3.273 6.110 2.496 365 2HD2 LEU 50 2HD2 LEU 50 4.622 5.197 3.172 366 3HD2 LEU 50 3HD2 LEU 50 3.215 4.349 2.531 367 HA PRO 51 HA PRO 51 4.736 11.380 6.390 368 1HB PRO 51 1HB PRO 51 4.288 12.602 3.788 369 2HB PRO 51 2HB PRO 51 5.743 12.636 4.789 370 1HG PRO 51 1HG PRO 51 5.346 11.169 2.382 371 2HG PRO 51 2HG PRO 51 6.745 11.101 3.458 372 1HD PRO 51 1HD PRO 51 4.741 9.068 3.034 373 2HD PRO 51 2HD PRO 51 6.147 9.005 4.124 374 H ASP 52 H ASP 52 3.104 12.907 6.986 375 HA ASP 52 HA ASP 52 0.411 12.170 6.959 376 1HB ASP 52 1HB ASP 52 1.769 14.061 8.167 377 2HB ASP 52 2HB ASP 52 1.265 15.055 6.800 378 H SER 53 H SER 53 2.127 14.217 4.597 379 HA SER 53 HA SER 53 -0.006 15.092 3.003 380 1HB SER 53 1HB SER 53 2.548 15.492 2.893 381 2HB SER 53 2HB SER 53 2.606 14.032 1.909 382 HG SER 53 HG SER 53 1.402 15.014 0.374 383 H THR 54 H THR 54 1.808 12.016 2.696 384 HA THR 54 HA THR 54 0.229 10.971 0.527 385 HB THR 54 HB THR 54 1.652 9.315 2.603 386 HG1 THR 54 HG1 THR 54 3.104 10.505 0.552 387 1HG2 THR 54 1HG2 THR 54 1.227 9.227 -0.381 388 2HG2 THR 54 2HG2 THR 54 2.496 8.277 0.393 389 3HG2 THR 54 3HG2 THR 54 0.807 8.010 0.824 390 H GLN 55 H GLN 55 -1.655 9.733 0.584 391 HA GLN 55 HA GLN 55 -3.055 9.540 3.204 392 1HB GLN 55 1HB GLN 55 -5.018 9.147 1.749 393 2HB GLN 55 2HB GLN 55 -4.149 10.598 1.250 394 1HG GLN 55 1HG GLN 55 -3.761 9.727 -0.788 395 2HG GLN 55 2HG GLN 55 -3.042 8.282 -0.076 396 1HE2 GLN 55 2HE2 GLN 55 -4.103 6.660 -1.311 397 2HE2 GLN 55 1HE2 GLN 55 -5.787 6.458 -1.340 398 H THR 56 H THR 56 -4.621 7.371 3.023 399 HA THR 56 HA THR 56 -3.019 5.054 2.085 400 HB THR 56 HB THR 56 -2.110 5.458 4.274 401 HG1 THR 56 HG1 THR 56 -3.965 3.591 5.073 402 1HG2 THR 56 1HG2 THR 56 -4.324 6.824 4.853 403 2HG2 THR 56 2HG2 THR 56 -4.779 5.296 5.607 404 3HG2 THR 56 3HG2 THR 56 -3.317 6.133 6.125 405 H TRP 57 H TRP 57 -4.225 3.006 2.357 406 HA TRP 57 HA TRP 57 -7.018 3.229 1.569 407 1HB TRP 57 1HB TRP 57 -5.305 1.561 0.792 408 2HB TRP 57 2HB TRP 57 -5.284 0.883 2.411 409 HD1 TRP 57 HD1 TRP 57 -7.567 1.232 -0.652 410 HE1 TRP 57 HE1 TRP 57 -9.409 -0.561 -0.497 411 HE3 TRP 57 HE3 TRP 57 -6.567 -0.651 3.984 412 HZ2 TRP 57 HZ2 TRP 57 -10.329 -2.549 1.350 413 HZ3 TRP 57 HZ3 TRP 57 -7.932 -2.498 4.915 414 HH2 TRP 57 HH2 TRP 57 -9.810 -3.450 3.605 415 HA PRO 58 HA PRO 58 -8.775 2.032 1.607 416 1HB PRO 58 1HB PRO 58 -11.274 2.830 2.655 417 2HB PRO 58 2HB PRO 58 -10.737 1.177 2.340 418 1HG PRO 58 1HG PRO 58 -11.175 2.448 4.890 419 2HG PRO 58 2HG PRO 58 -10.701 0.777 4.567 420 1HD PRO 58 1HD PRO 58 -9.052 2.958 5.565 421 2HD PRO 58 2HD PRO 58 -8.614 1.244 5.358 422 H LEU 59 H LEU 59 -10.303 3.640 0.413 423 HA LEU 59 HA LEU 59 -9.197 6.364 0.746 424 1HB LEU 59 1HB LEU 59 -10.457 4.657 -1.315 425 2HB LEU 59 2HB LEU 59 -10.875 6.364 -1.432 426 HG LEU 59 HG LEU 59 -8.043 6.030 -0.886 427 1HD1 LEU 59 1HD1 LEU 59 -9.247 4.541 -3.220 428 2HD1 LEU 59 2HD1 LEU 59 -7.584 5.127 -3.251 429 3HD1 LEU 59 3HD1 LEU 59 -8.083 3.953 -2.032 430 1HD2 LEU 59 1HD2 LEU 59 -9.857 7.488 -2.715 431 2HD2 LEU 59 2HD2 LEU 59 -8.422 8.058 -1.861 432 3HD2 LEU 59 3HD2 LEU 59 -8.252 7.155 -3.366 433 HA PRO 60 HA PRO 60 -12.678 8.515 2.388 434 1HB PRO 60 1HB PRO 60 -13.472 9.760 -0.136 435 2HB PRO 60 2HB PRO 60 -12.792 10.510 1.313 436 1HG PRO 60 1HG PRO 60 -11.456 10.077 -1.135 437 2HG PRO 60 2HG PRO 60 -10.721 10.582 0.389 438 1HD PRO 60 1HD PRO 60 -10.444 8.042 -0.968 439 2HD PRO 60 2HD PRO 60 -9.657 8.571 0.535 440 H ASN 61 H ASN 61 -15.134 9.204 1.347 441 HA ASN 61 HA ASN 61 -16.761 6.977 1.581 442 1HB ASN 61 1HB ASN 61 -17.358 9.442 1.428 443 2HB ASN 61 2HB ASN 61 -17.233 9.288 -0.325 444 1HD2 ASN 61 2HD2 ASN 61 -19.191 8.821 -1.324 445 2HD2 ASN 61 1HD2 ASN 61 -20.490 8.004 -0.598 446 H LYS 62 H LYS 62 -14.933 8.018 -1.220 447 HA LYS 62 HA LYS 62 -16.266 6.107 -3.034 448 1HB LYS 62 1HB LYS 62 -14.532 8.416 -3.159 449 2HB LYS 62 2HB LYS 62 -13.848 7.104 -4.121 450 1HG LYS 62 1HG LYS 62 -16.679 8.173 -4.337 451 2HG LYS 62 2HG LYS 62 -15.377 8.449 -5.495 452 1HD LYS 62 1HD LYS 62 -16.020 6.563 -6.546 453 2HD LYS 62 2HD LYS 62 -15.449 5.666 -5.137 454 1HE LYS 62 1HE LYS 62 -17.616 4.985 -4.916 455 2HE LYS 62 2HE LYS 62 -17.935 6.626 -4.320 456 1HZ LYS 62 1HZ LYS 62 -17.800 6.035 -7.214 457 2HZ LYS 62 2HZ LYS 62 -19.250 5.847 -6.348 458 3HZ LYS 62 3HZ LYS 62 -18.503 7.371 -6.440 459 H THR 63 H THR 63 -15.489 4.465 -1.118 460 HA THR 63 HA THR 63 -12.716 3.582 -1.317 461 HB THR 63 HB THR 63 -14.899 1.902 -0.181 462 HG1 THR 63 HG1 THR 63 -15.050 3.370 1.585 463 1HG2 THR 63 1HG2 THR 63 -12.345 1.595 0.067 464 2HG2 THR 63 2HG2 THR 63 -12.423 2.972 1.165 465 3HG2 THR 63 3HG2 THR 63 -13.319 1.499 1.533 466 H CYS 64 H CYS 64 -12.498 1.040 -1.688 467 HA CYS 64 HA CYS 64 -12.781 0.397 -4.374 468 1HB CYS 64 1HB CYS 64 -11.466 -0.884 -2.772 469 2HB CYS 64 2HB CYS 64 -12.925 -1.365 -1.907
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