NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
6369 | 1ivm | 4751 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H LYS 1 H LYS 1 -6.844 8.107 12.073 2 HA LYS 1 HA LYS 1 -7.232 7.537 9.270 3 1HB LYS 1 1HB LYS 1 -6.038 10.165 10.199 4 2HB LYS 1 2HB LYS 1 -5.876 9.528 8.575 5 1HG LYS 1 1HG LYS 1 -7.816 10.662 8.153 6 2HG LYS 1 2HG LYS 1 -8.600 9.301 8.931 7 1HD LYS 1 1HD LYS 1 -8.841 10.445 10.997 8 2HD LYS 1 2HD LYS 1 -7.567 11.591 10.628 9 1HE LYS 1 1HE LYS 1 -8.960 12.959 9.386 10 2HE LYS 1 2HE LYS 1 -9.881 11.618 8.735 11 1HZ LYS 1 1HZ LYS 1 -10.827 13.202 10.573 12 2HZ LYS 1 2HZ LYS 1 -11.263 11.630 10.491 13 3HZ LYS 1 3HZ LYS 1 -10.134 12.110 11.569 14 H VAL 2 H VAL 2 -6.122 6.223 11.696 15 HA VAL 2 HA VAL 2 -3.357 5.986 10.730 16 HB VAL 2 HB VAL 2 -4.322 5.782 13.589 17 1HG1 VAL 2 1HG1 VAL 2 -1.440 6.060 12.845 18 2HG1 VAL 2 2HG1 VAL 2 -2.193 5.225 14.225 19 3HG1 VAL 2 3HG1 VAL 2 -2.214 4.475 12.611 20 1HG2 VAL 2 1HG2 VAL 2 -3.730 8.097 12.021 21 2HG2 VAL 2 2HG2 VAL 2 -4.122 7.995 13.754 22 3HG2 VAL 2 3HG2 VAL 2 -2.428 7.887 13.217 23 H TYR 3 H TYR 3 -2.502 3.856 10.656 24 HA TYR 3 HA TYR 3 -4.358 1.713 11.364 25 1HB TYR 3 1HB TYR 3 -3.210 2.566 8.677 26 2HB TYR 3 2HB TYR 3 -3.351 0.844 8.967 27 HD1 TYR 3 1HD TYR 3 -5.434 -0.268 8.740 28 HD2 TYR 3 2HD TYR 3 -5.313 4.008 8.825 29 HE1 TYR 3 1HE TYR 3 -7.878 -0.178 8.044 30 HE2 TYR 3 2HE TYR 3 -7.757 4.083 8.129 31 HH TYR 3 HH TYR 3 -9.670 2.768 8.139 32 H GLU 4 H GLU 4 -3.335 -0.012 12.295 33 HA GLU 4 HA GLU 4 -0.429 -0.023 12.022 34 1HB GLU 4 1HB GLU 4 -0.291 -0.894 14.312 35 2HB GLU 4 2HB GLU 4 -1.176 0.619 14.302 36 1HG GLU 4 1HG GLU 4 -3.314 -0.526 14.476 37 2HG GLU 4 2HG GLU 4 -2.577 -2.086 14.167 38 H ARG 5 H ARG 5 0.531 -2.309 12.494 39 HA ARG 5 HA ARG 5 -0.081 -4.019 10.627 40 1HB ARG 5 1HB ARG 5 0.553 -5.865 12.511 41 2HB ARG 5 2HB ARG 5 1.744 -4.767 11.844 42 1HG ARG 5 1HG ARG 5 2.005 -3.677 13.829 43 2HG ARG 5 2HG ARG 5 0.276 -3.518 14.061 44 1HD ARG 5 1HD ARG 5 0.214 -5.282 15.503 45 2HD ARG 5 2HD ARG 5 1.099 -6.311 14.395 46 HE ARG 5 HE ARG 5 3.057 -5.852 15.584 47 1HH1 ARG 5 2HH2 ARG 5 0.680 -3.360 16.305 48 2HH1 ARG 5 1HH2 ARG 5 1.654 -2.603 17.522 49 1HH2 ARG 5 2HH1 ARG 5 4.342 -4.855 17.189 50 2HH2 ARG 5 1HH1 ARG 5 3.751 -3.459 18.028 51 H CYS 6 H CYS 6 -1.350 -4.531 14.011 52 HA CYS 6 HA CYS 6 -3.084 -6.535 13.473 53 1HB CYS 6 1HB CYS 6 -2.605 -4.716 15.605 54 2HB CYS 6 2HB CYS 6 -4.337 -4.765 15.344 55 H GLU 7 H GLU 7 -4.248 -3.126 13.977 56 HA GLU 7 HA GLU 7 -6.665 -3.265 13.016 57 1HB GLU 7 1HB GLU 7 -4.615 -1.179 13.102 58 2HB GLU 7 2HB GLU 7 -5.709 -0.920 11.758 59 1HG GLU 7 1HG GLU 7 -6.802 0.187 13.535 60 2HG GLU 7 2HG GLU 7 -7.628 -1.357 13.479 61 H PHE 8 H PHE 8 -3.952 -2.363 10.756 62 HA PHE 8 HA PHE 8 -5.242 -2.472 8.419 63 1HB PHE 8 1HB PHE 8 -2.615 -2.436 9.365 64 2HB PHE 8 2HB PHE 8 -2.644 -3.988 8.551 65 HD1 PHE 8 1HD PHE 8 -1.232 -1.171 7.963 66 HD2 PHE 8 2HD PHE 8 -4.482 -3.316 6.276 67 HE1 PHE 8 1HE PHE 8 -0.847 -0.025 5.763 68 HE2 PHE 8 2HE PHE 8 -4.097 -2.170 4.076 69 HZ PHE 8 HZ PHE 8 -2.284 -0.538 3.846 70 H ALA 9 H ALA 9 -3.792 -5.343 10.108 71 HA ALA 9 HA ALA 9 -4.465 -7.221 8.193 72 1HB ALA 9 1HB ALA 9 -3.342 -8.479 9.675 73 2HB ALA 9 2HB ALA 9 -3.372 -7.122 10.827 74 3HB ALA 9 3HB ALA 9 -4.677 -8.332 10.842 75 H ARG 10 H ARG 10 -6.283 -6.255 11.192 76 HA ARG 10 HA ARG 10 -8.404 -7.884 10.852 77 1HB ARG 10 1HB ARG 10 -8.078 -6.465 12.848 78 2HB ARG 10 2HB ARG 10 -8.345 -5.012 11.905 79 1HG ARG 10 1HG ARG 10 -10.681 -5.776 11.402 80 2HG ARG 10 2HG ARG 10 -10.412 -7.218 12.361 81 1HD ARG 10 1HD ARG 10 -9.641 -5.198 14.124 82 2HD ARG 10 2HD ARG 10 -10.959 -4.439 13.252 83 HE ARG 10 HE ARG 10 -11.183 -6.623 15.151 84 1HH1 ARG 10 2HH2 ARG 10 -12.648 -5.257 12.258 85 2HH1 ARG 10 1HH2 ARG 10 -14.211 -5.931 12.576 86 1HH2 ARG 10 2HH1 ARG 10 -13.245 -7.513 15.572 87 2HH2 ARG 10 1HH1 ARG 10 -14.553 -7.223 14.474 88 H THR 11 H THR 11 -8.135 -4.425 9.726 89 HA THR 11 HA THR 11 -10.543 -4.276 8.397 90 HB THR 11 HB THR 11 -7.814 -2.974 7.939 91 HG1 THR 11 1HG THR 11 -10.412 -2.221 9.084 92 1HG2 THR 11 1HG2 THR 11 -10.500 -2.535 6.599 93 2HG2 THR 11 2HG2 THR 11 -9.478 -1.127 6.976 94 3HG2 THR 11 3HG2 THR 11 -8.869 -2.407 5.899 95 H LEU 12 H LEU 12 -7.330 -5.203 6.986 96 HA LEU 12 HA LEU 12 -8.151 -5.672 4.441 97 1HB LEU 12 1HB LEU 12 -5.886 -6.137 5.997 98 2HB LEU 12 2HB LEU 12 -6.313 -7.718 5.373 99 HG LEU 12 HG LEU 12 -6.459 -6.481 3.065 100 1HD1 LEU 12 1HD1 LEU 12 -5.087 -4.559 2.794 101 2HD1 LEU 12 2HD1 LEU 12 -6.199 -4.219 4.141 102 3HD1 LEU 12 3HD1 LEU 12 -4.505 -4.651 4.473 103 1HD2 LEU 12 1HD2 LEU 12 -3.677 -6.846 4.154 104 2HD2 LEU 12 2HD2 LEU 12 -4.778 -8.231 3.957 105 3HD2 LEU 12 3HD2 LEU 12 -4.326 -7.245 2.546 106 H LYS 13 H LYS 13 -8.175 -8.056 7.182 107 HA LYS 13 HA LYS 13 -9.435 -10.058 5.666 108 1HB LYS 13 1HB LYS 13 -8.182 -9.906 8.106 109 2HB LYS 13 2HB LYS 13 -9.856 -10.103 8.584 110 1HG LYS 13 1HG LYS 13 -8.689 -11.872 6.412 111 2HG LYS 13 2HG LYS 13 -8.377 -12.240 8.097 112 1HD LYS 13 1HD LYS 13 -10.681 -12.607 8.579 113 2HD LYS 13 2HD LYS 13 -11.218 -11.723 7.165 114 1HE LYS 13 1HE LYS 13 -10.290 -13.510 5.684 115 2HE LYS 13 2HE LYS 13 -9.724 -14.389 7.091 116 1HZ LYS 13 1HZ LYS 13 -12.143 -14.272 7.813 117 2HZ LYS 13 2HZ LYS 13 -12.478 -13.899 6.259 118 3HZ LYS 13 3HZ LYS 13 -11.756 -15.319 6.621 119 H ARG 14 H ARG 14 -10.581 -7.167 7.316 120 HA ARG 14 HA ARG 14 -13.247 -8.104 7.499 121 1HB ARG 14 1HB ARG 14 -12.183 -6.326 8.996 122 2HB ARG 14 2HB ARG 14 -12.218 -5.226 7.633 123 1HG ARG 14 1HG ARG 14 -14.250 -4.656 8.586 124 2HG ARG 14 2HG ARG 14 -14.806 -5.956 7.551 125 1HD ARG 14 1HD ARG 14 -15.071 -7.458 9.331 126 2HD ARG 14 2HD ARG 14 -13.823 -6.703 10.302 127 HE ARG 14 HE ARG 14 -15.410 -5.195 11.159 128 1HH1 ARG 14 2HH2 ARG 14 -16.748 -6.857 8.361 129 2HH1 ARG 14 1HH2 ARG 14 -18.352 -6.251 8.607 130 1HH2 ARG 14 2HH1 ARG 14 -17.526 -4.395 11.485 131 2HH2 ARG 14 1HH1 ARG 14 -18.797 -4.841 10.396 132 H ASN 15 H ASN 15 -11.209 -6.598 5.073 133 HA ASN 15 HA ASN 15 -13.450 -5.570 3.607 134 1HB ASN 15 1HB ASN 15 -10.806 -4.809 3.773 135 2HB ASN 15 2HB ASN 15 -10.749 -5.779 2.314 136 1HD2 ASN 15 1HD2 ASN 15 -11.771 -2.860 3.788 137 2HD2 ASN 15 2HD2 ASN 15 -12.475 -2.084 2.409 138 H GLY 16 H GLY 16 -10.993 -8.213 3.515 139 1HA GLY 16 1HA GLY 16 -11.645 -10.359 2.689 140 2HA GLY 16 2HA GLY 16 -12.620 -9.575 1.462 141 H MET 17 H MET 17 -9.264 -8.737 2.523 142 HA MET 17 HA MET 17 -8.415 -9.454 -0.178 143 1HB MET 17 1HB MET 17 -8.494 -6.897 0.916 144 2HB MET 17 2HB MET 17 -6.860 -7.378 1.326 145 1HG MET 17 1HG MET 17 -6.827 -8.185 -1.247 146 2HG MET 17 2HG MET 17 -8.097 -6.987 -1.399 147 1HE MET 17 1HE MET 17 -5.910 -4.593 -2.734 148 2HE MET 17 2HE MET 17 -4.988 -6.100 -2.950 149 3HE MET 17 3HE MET 17 -6.765 -6.120 -3.060 150 H ALA 18 H ALA 18 -7.610 -9.226 3.314 151 HA ALA 18 HA ALA 18 -5.006 -10.090 3.259 152 1HB ALA 18 1HB ALA 18 -7.204 -9.867 5.163 153 2HB ALA 18 2HB ALA 18 -6.193 -11.291 5.506 154 3HB ALA 18 3HB ALA 18 -5.454 -9.674 5.425 155 H GLY 19 H GLY 19 -4.192 -11.799 2.148 156 1HA GLY 19 1HA GLY 19 -3.846 -14.130 2.102 157 2HA GLY 19 2HA GLY 19 -5.529 -14.396 2.512 158 H TYR 20 H TYR 20 -4.797 -11.868 0.165 159 HA TYR 20 HA TYR 20 -6.465 -12.694 -1.777 160 1HB TYR 20 1HB TYR 20 -4.659 -10.686 -1.381 161 2HB TYR 20 2HB TYR 20 -3.683 -11.655 -2.468 162 HD1 TYR 20 1HD TYR 20 -3.833 -11.250 -4.752 163 HD2 TYR 20 2HD TYR 20 -7.143 -10.215 -2.247 164 HE1 TYR 20 1HE TYR 20 -5.020 -10.204 -6.742 165 HE2 TYR 20 2HE TYR 20 -8.320 -9.172 -4.246 166 HH TYR 20 HH TYR 20 -7.497 -8.117 -6.468 167 H TYR 21 H TYR 21 -5.861 -13.459 -4.086 168 HA TYR 21 HA TYR 21 -5.352 -16.047 -4.209 169 1HB TYR 21 1HB TYR 21 -4.959 -13.631 -5.909 170 2HB TYR 21 2HB TYR 21 -3.897 -14.936 -6.398 171 HD1 TYR 21 1HD TYR 21 -6.805 -13.476 -7.295 172 HD2 TYR 21 2HD TYR 21 -5.381 -17.358 -6.196 173 HE1 TYR 21 1HE TYR 21 -8.711 -14.550 -8.590 174 HE2 TYR 21 2HE TYR 21 -7.292 -18.419 -7.495 175 HH TYR 21 HH TYR 21 -9.380 -17.939 -8.333 176 H GLY 22 H GLY 22 -2.751 -13.519 -4.281 177 1HA GLY 22 1HA GLY 22 -0.821 -15.672 -3.643 178 2HA GLY 22 2HA GLY 22 -0.456 -14.302 -4.672 179 H VAL 23 H VAL 23 -1.334 -12.069 -3.449 180 HA VAL 23 HA VAL 23 0.510 -11.600 -1.461 181 HB VAL 23 HB VAL 23 -2.112 -10.143 -1.762 182 1HG1 VAL 23 1HG1 VAL 23 0.664 -9.394 -0.831 183 2HG1 VAL 23 2HG1 VAL 23 -0.516 -8.168 -1.354 184 3HG1 VAL 23 3HG1 VAL 23 -0.886 -9.229 0.027 185 1HG2 VAL 23 1HG2 VAL 23 0.186 -10.353 -3.666 186 2HG2 VAL 23 2HG2 VAL 23 -1.554 -10.157 -3.986 187 3HG2 VAL 23 3HG2 VAL 23 -0.586 -8.763 -3.450 188 H SER 24 H SER 24 0.680 -12.428 0.551 189 HA SER 24 HA SER 24 -1.705 -13.513 1.742 190 1HB SER 24 1HB SER 24 1.097 -14.122 1.812 191 2HB SER 24 2HB SER 24 0.625 -13.714 3.449 192 HG SER 24 HG SER 24 -0.104 -15.921 1.860 193 H LEU 25 H LEU 25 -2.532 -12.841 3.816 194 HA LEU 25 HA LEU 25 -2.694 -10.196 4.304 195 1HB LEU 25 1HB LEU 25 -4.215 -11.553 5.384 196 2HB LEU 25 2HB LEU 25 -2.983 -12.621 6.028 197 HG LEU 25 HG LEU 25 -2.287 -10.866 7.620 198 1HD1 LEU 25 1HD1 LEU 25 -4.676 -9.197 7.247 199 2HD1 LEU 25 2HD1 LEU 25 -2.989 -8.741 7.587 200 3HD1 LEU 25 3HD1 LEU 25 -3.496 -9.095 5.917 201 1HD2 LEU 25 1HD2 LEU 25 -3.675 -12.197 8.791 202 2HD2 LEU 25 2HD2 LEU 25 -4.748 -10.778 8.743 203 3HD2 LEU 25 3HD2 LEU 25 -4.972 -12.102 7.576 204 H ALA 26 H ALA 26 -0.263 -12.488 5.694 205 HA ALA 26 HA ALA 26 1.017 -10.631 7.317 206 1HB ALA 26 1HB ALA 26 2.764 -12.653 6.089 207 2HB ALA 26 2HB ALA 26 2.310 -12.422 7.794 208 3HB ALA 26 3HB ALA 26 1.237 -13.330 6.703 209 H ASP 27 H ASP 27 1.434 -11.478 3.839 210 HA ASP 27 HA ASP 27 3.729 -9.983 3.462 211 1HB ASP 27 1HB ASP 27 1.473 -10.579 1.488 212 2HB ASP 27 2HB ASP 27 3.083 -10.051 1.041 213 H TRP 28 H TRP 28 0.213 -9.225 3.377 214 HA TRP 28 HA TRP 28 0.410 -6.693 2.191 215 1HB TRP 28 1HB TRP 28 -1.632 -8.146 3.820 216 2HB TRP 28 2HB TRP 28 -1.825 -6.423 3.567 217 HD1 TRP 28 HD TRP 28 -2.968 -9.486 2.032 218 HE1 TRP 28 1HE TRP 28 -3.674 -9.266 -0.501 219 HE3 TRP 28 3HE TRP 28 -0.686 -5.012 1.240 220 HZ2 TRP 28 2HZ TRP 28 -3.209 -7.290 -2.506 221 HZ3 TRP 28 3HZ TRP 28 -0.860 -4.006 -1.034 222 HH2 TRP 28 HH TRP 28 -2.068 -5.071 -2.872 223 H VAL 29 H VAL 29 0.074 -7.716 5.672 224 HA VAL 29 HA VAL 29 0.329 -5.225 6.794 225 HB VAL 29 HB VAL 29 1.371 -7.852 7.872 226 1HG1 VAL 29 1HG1 VAL 29 1.422 -6.921 9.965 227 2HG1 VAL 29 2HG1 VAL 29 1.805 -5.476 8.998 228 3HG1 VAL 29 3HG1 VAL 29 0.148 -5.735 9.593 229 1HG2 VAL 29 1HG2 VAL 29 -1.100 -7.492 8.999 230 2HG2 VAL 29 2HG2 VAL 29 -1.365 -6.883 7.347 231 3HG2 VAL 29 3HG2 VAL 29 -0.759 -8.537 7.599 232 H CYS 30 H CYS 30 2.991 -7.675 6.386 233 HA CYS 30 HA CYS 30 5.057 -6.134 7.182 234 1HB CYS 30 1HB CYS 30 6.420 -7.713 6.305 235 2HB CYS 30 2HB CYS 30 4.907 -8.597 6.272 236 H LEU 31 H LEU 31 3.521 -6.309 3.902 237 HA LEU 31 HA LEU 31 5.245 -4.512 2.654 238 1HB LEU 31 1HB LEU 31 3.738 -6.072 1.512 239 2HB LEU 31 2HB LEU 31 2.352 -5.156 2.069 240 HG LEU 31 HG LEU 31 4.346 -3.562 0.585 241 1HD1 LEU 31 1HD1 LEU 31 3.291 -4.506 -1.614 242 2HD1 LEU 31 2HD1 LEU 31 4.689 -5.316 -0.867 243 3HD1 LEU 31 3HD1 LEU 31 3.051 -5.975 -0.638 244 1HD2 LEU 31 1HD2 LEU 31 2.552 -2.251 0.600 245 2HD2 LEU 31 2HD2 LEU 31 1.815 -3.355 -0.586 246 3HD2 LEU 31 3HD2 LEU 31 1.505 -3.580 1.152 247 H ALA 32 H ALA 32 1.837 -3.865 3.750 248 HA ALA 32 HA ALA 32 1.831 -1.182 3.475 249 1HB ALA 32 1HB ALA 32 0.494 -1.676 5.909 250 2HB ALA 32 2HB ALA 32 -0.211 -1.682 4.274 251 3HB ALA 32 3HB ALA 32 0.384 -3.198 4.992 252 H GLN 33 H GLN 33 3.575 -3.120 5.884 253 HA GLN 33 HA GLN 33 4.070 -0.950 7.609 254 1HB GLN 33 1HB GLN 33 4.174 -3.520 8.072 255 2HB GLN 33 2HB GLN 33 5.792 -3.442 7.405 256 1HG GLN 33 1HG GLN 33 5.087 -1.389 9.485 257 2HG GLN 33 2HG GLN 33 5.269 -3.041 10.040 258 1HE2 GLN 33 1HE2 GLN 33 6.820 -0.182 9.270 259 2HE2 GLN 33 2HE2 GLN 33 8.465 -0.722 9.217 260 H HIS 34 H HIS 34 6.067 -2.699 5.128 261 HA HIS 34 HA HIS 34 8.302 -1.067 5.411 262 1HB HIS 34 1HB HIS 34 7.937 -3.367 4.220 263 2HB HIS 34 2HB HIS 34 7.557 -2.391 2.815 264 HD1 HIS 34 1HD HIS 34 9.654 -0.200 2.881 265 HD2 HIS 34 2HD HIS 34 10.507 -4.193 3.841 266 HE1 HIS 34 1HE HIS 34 12.163 -0.498 2.530 267 HE2 HIS 34 2HE HIS 34 12.637 -2.956 3.188 268 H GLU 35 H GLU 35 5.180 -0.526 3.940 269 HA GLU 35 HA GLU 35 6.080 1.433 2.112 270 1HB GLU 35 1HB GLU 35 3.314 0.781 3.216 271 2HB GLU 35 2HB GLU 35 3.598 1.963 1.954 272 1HG GLU 35 1HG GLU 35 4.089 -1.037 1.849 273 2HG GLU 35 2HG GLU 35 3.039 -0.081 0.822 274 H SER 36 H SER 36 3.984 1.704 5.082 275 HA SER 36 HA SER 36 5.337 3.417 6.529 276 1HB SER 36 1HB SER 36 4.406 4.821 4.082 277 2HB SER 36 2HB SER 36 4.009 5.651 5.574 278 HG SER 36 HG SER 36 6.059 6.369 4.977 279 H ASN 37 H ASN 37 3.629 1.694 7.386 280 HA ASN 37 HA ASN 37 0.949 2.245 7.317 281 1HB ASN 37 1HB ASN 37 2.445 0.254 8.385 282 2HB ASN 37 2HB ASN 37 2.171 1.157 9.862 283 1HD2 ASN 37 1HD2 ASN 37 1.157 -1.125 10.108 284 2HD2 ASN 37 2HD2 ASN 37 -0.549 -1.230 9.828 285 H TYR 38 H TYR 38 0.535 2.234 10.354 286 HA TYR 38 HA TYR 38 0.327 3.633 12.073 287 1HB TYR 38 1HB TYR 38 2.206 5.524 10.543 288 2HB TYR 38 2HB TYR 38 1.981 5.459 12.280 289 HD1 TYR 38 1HD TYR 38 2.521 3.002 13.315 290 HD2 TYR 38 2HD TYR 38 4.162 4.610 9.706 291 HE1 TYR 38 1HE TYR 38 4.505 1.424 13.506 292 HE2 TYR 38 2HE TYR 38 6.141 3.027 9.909 293 HH TYR 38 HH TYR 38 6.516 0.749 11.004 294 H ASN 39 H ASN 39 0.952 6.717 11.102 295 HA ASN 39 HA ASN 39 -1.832 7.198 10.702 296 1HB ASN 39 1HB ASN 39 -0.907 9.660 10.536 297 2HB ASN 39 2HB ASN 39 -0.813 8.840 12.082 298 1HD2 ASN 39 1HD2 ASN 39 1.082 8.549 13.034 299 2HD2 ASN 39 2HD2 ASN 39 2.637 8.889 12.350 300 H THR 40 H THR 40 -2.758 8.095 8.747 301 HA THR 40 HA THR 40 -1.396 7.408 6.344 302 HB THR 40 HB THR 40 -3.529 8.514 5.381 303 HG1 THR 40 1HG THR 40 -3.689 9.906 7.365 304 1HG2 THR 40 1HG2 THR 40 -4.571 6.502 5.692 305 2HG2 THR 40 2HG2 THR 40 -3.247 6.057 6.795 306 3HG2 THR 40 3HG2 THR 40 -4.726 6.810 7.439 307 H ARG 41 H ARG 41 0.524 8.866 7.294 308 HA ARG 41 HA ARG 41 0.115 11.494 6.111 309 1HB ARG 41 1HB ARG 41 0.833 11.109 8.658 310 2HB ARG 41 2HB ARG 41 2.426 10.862 7.970 311 1HG ARG 41 1HG ARG 41 2.569 13.148 8.204 312 2HG ARG 41 2HG ARG 41 1.763 13.141 6.648 313 1HD ARG 41 1HD ARG 41 -0.468 13.106 8.030 314 2HD ARG 41 2HD ARG 41 0.527 13.574 9.394 315 HE ARG 41 HE ARG 41 1.289 15.376 7.443 316 1HH1 ARG 41 2HH2 ARG 41 -1.830 14.411 8.755 317 2HH1 ARG 41 1HH2 ARG 41 -2.571 15.950 8.468 318 1HH2 ARG 41 2HH1 ARG 41 0.312 17.406 7.063 319 2HH2 ARG 41 1HH1 ARG 41 -1.344 17.665 7.499 320 H ALA 42 H ALA 42 1.211 8.529 5.300 321 HA ALA 42 HA ALA 42 3.859 8.827 4.540 322 1HB ALA 42 1HB ALA 42 2.320 6.748 4.610 323 2HB ALA 42 2HB ALA 42 1.794 7.246 2.985 324 3HB ALA 42 3HB ALA 42 3.503 6.853 3.284 325 H THR 43 H THR 43 4.308 10.878 3.652 326 HA THR 43 HA THR 43 3.430 11.154 0.884 327 HB THR 43 HB THR 43 3.081 13.695 1.526 328 HG1 THR 43 1HG THR 43 3.837 13.450 3.722 329 1HG2 THR 43 1HG2 THR 43 0.935 12.134 2.894 330 2HG2 THR 43 2HG2 THR 43 0.803 13.312 1.566 331 3HG2 THR 43 3HG2 THR 43 1.266 11.629 1.220 332 H ASN 44 H ASN 44 5.144 11.439 -0.388 333 HA ASN 44 HA ASN 44 7.285 13.074 0.615 334 1HB ASN 44 1HB ASN 44 7.474 10.247 0.744 335 2HB ASN 44 2HB ASN 44 8.371 10.668 -0.702 336 1HD2 ASN 44 1HD2 ASN 44 8.374 10.494 2.663 337 2HD2 ASN 44 2HD2 ASN 44 9.863 11.311 3.006 338 H TYR 45 H TYR 45 7.028 14.571 -1.102 339 HA TYR 45 HA TYR 45 6.648 13.558 -3.793 340 1HB TYR 45 1HB TYR 45 5.828 15.749 -4.099 341 2HB TYR 45 2HB TYR 45 5.701 15.699 -2.352 342 HD1 TYR 45 1HD TYR 45 7.486 17.126 -5.201 343 HD2 TYR 45 2HD TYR 45 7.391 16.836 -0.934 344 HE1 TYR 45 1HE TYR 45 9.050 19.123 -5.023 345 HE2 TYR 45 2HE TYR 45 8.955 18.834 -0.770 346 HH TYR 45 HH TYR 45 9.865 20.650 -3.646 347 H ASN 46 H ASN 46 7.999 14.396 -5.604 348 HA ASN 46 HA ASN 46 10.532 15.470 -4.931 349 1HB ASN 46 1HB ASN 46 10.292 12.572 -5.882 350 2HB ASN 46 2HB ASN 46 11.774 13.490 -6.055 351 1HD2 ASN 46 1HD2 ASN 46 12.668 14.494 -4.095 352 2HD2 ASN 46 2HD2 ASN 46 12.557 13.651 -2.586 353 H ARG 47 H ARG 47 10.402 17.030 -6.577 354 HA ARG 47 HA ARG 47 9.135 16.420 -9.019 355 1HB ARG 47 1HB ARG 47 9.526 18.734 -7.688 356 2HB ARG 47 2HB ARG 47 10.946 18.821 -8.711 357 1HG ARG 47 1HG ARG 47 9.696 18.995 -10.686 358 2HG ARG 47 2HG ARG 47 8.326 18.123 -10.027 359 1HD ARG 47 1HD ARG 47 7.916 20.131 -8.479 360 2HD ARG 47 2HD ARG 47 9.145 20.994 -9.382 361 HE ARG 47 HE ARG 47 7.587 21.323 -11.083 362 1HH1 ARG 47 2HH2 ARG 47 6.605 18.520 -9.196 363 2HH1 ARG 47 1HH2 ARG 47 5.122 18.295 -10.063 364 1HH2 ARG 47 2HH1 ARG 47 5.631 21.028 -12.227 365 2HH2 ARG 47 1HH1 ARG 47 4.565 19.732 -11.799 366 H GLY 48 H GLY 48 12.475 16.523 -7.778 367 1HA GLY 48 1HA GLY 48 14.101 16.807 -9.872 368 2HA GLY 48 2HA GLY 48 14.336 15.562 -8.661 369 H ASP 49 H ASP 49 12.044 13.901 -9.225 370 HA ASP 49 HA ASP 49 12.733 13.041 -11.926 371 1HB ASP 49 1HB ASP 49 13.037 11.653 -9.454 372 2HB ASP 49 2HB ASP 49 11.657 10.910 -10.238 373 H GLN 50 H GLN 50 10.566 14.876 -11.013 374 HA GLN 50 HA GLN 50 8.365 15.069 -10.854 375 1HB GLN 50 1HB GLN 50 9.000 15.080 -13.318 376 2HB GLN 50 2HB GLN 50 8.473 13.411 -13.410 377 1HG GLN 50 1HG GLN 50 6.318 14.676 -12.142 378 2HG GLN 50 2HG GLN 50 6.859 15.885 -13.290 379 1HE2 GLN 50 1HE2 GLN 50 4.967 13.204 -12.826 380 2HE2 GLN 50 2HE2 GLN 50 4.696 12.708 -14.464 381 H SER 51 H SER 51 8.983 13.078 -9.069 382 HA SER 51 HA SER 51 6.713 11.313 -9.444 383 1HB SER 51 1HB SER 51 7.955 9.358 -8.700 384 2HB SER 51 2HB SER 51 8.788 10.057 -10.075 385 HG SER 51 HG SER 51 9.794 11.256 -7.873 386 H THR 52 H THR 52 5.752 10.592 -7.402 387 HA THR 52 HA THR 52 6.884 11.769 -4.983 388 HB THR 52 HB THR 52 4.152 12.397 -6.202 389 HG1 THR 52 1HG THR 52 5.714 13.947 -6.736 390 1HG2 THR 52 1HG2 THR 52 3.428 12.307 -3.990 391 2HG2 THR 52 2HG2 THR 52 5.082 12.415 -3.342 392 3HG2 THR 52 3HG2 THR 52 4.253 13.882 -3.916 393 H ASP 53 H ASP 53 6.723 10.466 -3.244 394 HA ASP 53 HA ASP 53 5.245 8.018 -3.708 395 1HB ASP 53 1HB ASP 53 7.292 8.735 -1.556 396 2HB ASP 53 2HB ASP 53 6.579 7.149 -1.773 397 H TYR 54 H TYR 54 3.097 8.446 -3.025 398 HA TYR 54 HA TYR 54 2.824 9.404 -0.258 399 1HB TYR 54 1HB TYR 54 1.550 10.141 -2.914 400 2HB TYR 54 2HB TYR 54 0.487 10.135 -1.522 401 HD1 TYR 54 1HD TYR 54 4.017 11.299 -2.097 402 HD2 TYR 54 2HD TYR 54 0.075 12.279 -0.755 403 HE1 TYR 54 1HE TYR 54 4.800 13.639 -1.482 404 HE2 TYR 54 2HE TYR 54 0.871 14.615 -0.145 405 HH TYR 54 HH TYR 54 2.505 16.030 -0.207 406 H GLY 55 H GLY 55 0.843 8.645 0.846 407 1HA GLY 55 1HA GLY 55 -1.031 7.220 0.932 408 2HA GLY 55 2HA GLY 55 -0.378 6.268 -0.386 409 H ILE 56 H ILE 56 -1.249 5.569 2.475 410 HA ILE 56 HA ILE 56 0.881 5.019 4.103 411 HB ILE 56 HB ILE 56 -1.593 4.792 4.540 412 1HG1 ILE 56 1HG1 ILE 56 0.152 2.492 5.468 413 2HG1 ILE 56 2HG1 ILE 56 0.233 4.120 6.112 414 1HG2 ILE 56 1HG2 ILE 56 -1.935 3.264 2.526 415 2HG2 ILE 56 2HG2 ILE 56 -1.266 1.963 3.538 416 3HG2 ILE 56 3HG2 ILE 56 -2.750 2.807 4.041 417 1HD1 ILE 56 1HD1 ILE 56 -1.297 3.287 7.615 418 2HD1 ILE 56 2HD1 ILE 56 -2.453 3.701 6.327 419 3HD1 ILE 56 3HD1 ILE 56 -1.867 2.029 6.492 420 H PHE 57 H PHE 57 -0.176 3.403 1.114 421 HA PHE 57 HA PHE 57 1.701 1.243 1.554 422 1HB PHE 57 1HB PHE 57 -0.438 2.072 -0.456 423 2HB PHE 57 2HB PHE 57 0.729 0.858 -0.944 424 HD1 PHE 57 1HD PHE 57 1.087 -0.939 1.164 425 HD2 PHE 57 2HD PHE 57 -2.455 1.175 0.167 426 HE1 PHE 57 1HE PHE 57 -0.287 -2.713 2.288 427 HE2 PHE 57 2HE PHE 57 -3.830 -0.599 1.292 428 HZ PHE 57 HZ PHE 57 -2.730 -2.522 2.338 429 H GLN 58 H GLN 58 2.533 4.179 1.169 430 HA GLN 58 HA GLN 58 3.832 5.414 -0.121 431 1HB GLN 58 1HB GLN 58 5.239 3.512 1.136 432 2HB GLN 58 2HB GLN 58 5.622 3.019 -0.501 433 1HG GLN 58 1HG GLN 58 7.149 4.684 -0.661 434 2HG GLN 58 2HG GLN 58 5.891 5.878 -0.409 435 1HE2 GLN 58 1HE2 GLN 58 5.446 6.660 1.650 436 2HE2 GLN 58 2HE2 GLN 58 6.559 6.519 2.971 437 H ILE 59 H ILE 59 2.100 5.358 -1.892 438 HA ILE 59 HA ILE 59 2.929 3.763 -4.189 439 HB ILE 59 HB ILE 59 0.420 5.184 -3.382 440 1HG1 ILE 59 1HG1 ILE 59 0.860 2.402 -4.496 441 2HG1 ILE 59 2HG1 ILE 59 0.913 2.776 -2.785 442 1HG2 ILE 59 1HG2 ILE 59 0.992 4.217 -6.196 443 2HG2 ILE 59 2HG2 ILE 59 -0.520 4.932 -5.586 444 3HG2 ILE 59 3HG2 ILE 59 0.954 5.924 -5.691 445 1HD1 ILE 59 1HD1 ILE 59 -1.372 2.074 -4.128 446 2HD1 ILE 59 2HD1 ILE 59 -1.361 3.037 -2.631 447 3HD1 ILE 59 3HD1 ILE 59 -1.473 3.849 -4.211 448 H ASN 60 H ASN 60 3.821 4.641 -6.025 449 HA ASN 60 HA ASN 60 4.803 7.287 -5.744 450 1HB ASN 60 1HB ASN 60 5.502 4.943 -7.217 451 2HB ASN 60 2HB ASN 60 5.116 6.146 -8.430 452 1HD2 ASN 60 1HD2 ASN 60 7.660 5.068 -8.004 453 2HD2 ASN 60 2HD2 ASN 60 8.741 6.314 -7.475 454 H SER 61 H SER 61 3.992 9.151 -6.794 455 HA SER 61 HA SER 61 1.491 8.786 -8.167 456 1HB SER 61 1HB SER 61 1.151 10.602 -6.820 457 2HB SER 61 2HB SER 61 2.860 10.969 -6.709 458 HG SER 61 HG SER 61 1.331 12.507 -7.932 459 H ARG 62 H ARG 62 4.481 8.312 -9.186 460 HA ARG 62 HA ARG 62 4.515 10.152 -11.379 461 1HB ARG 62 1HB ARG 62 6.674 9.065 -11.947 462 2HB ARG 62 2HB ARG 62 6.639 9.506 -10.252 463 1HG ARG 62 1HG ARG 62 6.951 7.348 -9.636 464 2HG ARG 62 2HG ARG 62 5.519 6.852 -10.514 465 1HD ARG 62 1HD ARG 62 6.926 6.849 -12.650 466 2HD ARG 62 2HD ARG 62 8.338 7.141 -11.655 467 HE ARG 62 HE ARG 62 6.724 4.840 -10.791 468 1HH1 ARG 62 2HH2 ARG 62 9.384 5.929 -12.822 469 2HH1 ARG 62 1HH2 ARG 62 10.115 4.362 -12.924 470 1HH2 ARG 62 2HH1 ARG 62 7.689 2.773 -10.926 471 2HH2 ARG 62 1HH1 ARG 62 9.145 2.555 -11.839 472 H TYR 63 H TYR 63 2.828 7.365 -10.678 473 HA TYR 63 HA TYR 63 2.399 6.815 -13.487 474 1HB TYR 63 1HB TYR 63 4.268 5.346 -11.998 475 2HB TYR 63 2HB TYR 63 2.807 4.426 -11.698 476 HD1 TYR 63 1HD TYR 63 1.555 3.414 -13.634 477 HD2 TYR 63 2HD TYR 63 5.395 5.240 -14.107 478 HE1 TYR 63 1HE TYR 63 1.852 2.230 -15.865 479 HE2 TYR 63 2HE TYR 63 5.679 4.050 -16.336 480 HH TYR 63 HH TYR 63 4.678 1.802 -17.315 481 H TRP 64 H TRP 64 1.718 5.959 -10.038 482 HA TRP 64 HA TRP 64 -0.999 5.234 -10.815 483 1HB TRP 64 1HB TRP 64 0.343 4.994 -8.119 484 2HB TRP 64 2HB TRP 64 -1.197 4.309 -8.599 485 HD1 TRP 64 HD TRP 64 -0.911 2.411 -10.780 486 HE1 TRP 64 1HE TRP 64 0.868 0.489 -11.107 487 HE3 TRP 64 3HE TRP 64 2.559 4.367 -7.619 488 HZ2 TRP 64 2HZ TRP 64 3.468 0.014 -10.030 489 HZ3 TRP 64 3HZ TRP 64 4.690 3.112 -7.313 490 HH2 TRP 64 HH TRP 64 5.171 1.006 -8.457 491 H CYS 65 H CYS 65 -2.826 6.218 -9.591 492 HA CYS 65 HA CYS 65 -3.969 7.999 -8.999 493 1HB CYS 65 1HB CYS 65 -3.491 8.915 -6.959 494 2HB CYS 65 2HB CYS 65 -2.560 7.431 -6.902 495 H ASN 66 H ASN 66 -3.742 10.622 -8.728 496 HA ASN 66 HA ASN 66 -1.648 11.681 -10.343 497 1HB ASN 66 1HB ASN 66 -4.088 10.910 -11.616 498 2HB ASN 66 2HB ASN 66 -4.178 12.653 -11.462 499 1HD2 ASN 66 1HD2 ASN 66 -4.103 12.508 -13.816 500 2HD2 ASN 66 2HD2 ASN 66 -2.572 12.477 -14.626 501 H ASP 67 H ASP 67 -2.809 14.213 -10.911 502 HA ASP 67 HA ASP 67 -4.148 15.058 -8.512 503 1HB ASP 67 1HB ASP 67 -1.499 15.198 -8.338 504 2HB ASP 67 2HB ASP 67 -1.683 16.591 -9.384 505 H GLY 68 H GLY 68 -2.377 16.076 -11.529 506 1HA GLY 68 1HA GLY 68 -3.717 16.915 -13.366 507 2HA GLY 68 2HA GLY 68 -4.684 17.800 -12.204 508 H LYS 69 H LYS 69 -1.571 17.908 -10.976 509 HA LYS 69 HA LYS 69 -1.199 20.574 -12.082 510 1HB LYS 69 1HB LYS 69 -1.008 19.540 -9.513 511 2HB LYS 69 2HB LYS 69 0.667 19.689 -10.004 512 1HG LYS 69 1HG LYS 69 0.533 21.907 -9.558 513 2HG LYS 69 2HG LYS 69 -0.535 22.068 -10.938 514 1HD LYS 69 1HD LYS 69 -2.513 21.729 -9.545 515 2HD LYS 69 2HD LYS 69 -1.532 21.285 -8.162 516 1HE LYS 69 1HE LYS 69 -0.554 23.828 -8.980 517 2HE LYS 69 2HE LYS 69 -2.298 23.950 -9.095 518 1HZ LYS 69 1HZ LYS 69 -2.303 22.918 -6.814 519 2HZ LYS 69 2HZ LYS 69 -0.705 23.246 -6.745 520 3HZ LYS 69 3HZ LYS 69 -1.782 24.463 -6.912 521 H THR 70 H THR 70 -0.165 17.330 -12.553 522 HA THR 70 HA THR 70 2.158 18.327 -14.063 523 HB THR 70 HB THR 70 1.884 15.961 -12.158 524 HG1 THR 70 1HG THR 70 3.807 18.111 -12.715 525 1HG2 THR 70 1HG2 THR 70 3.245 14.749 -13.553 526 2HG2 THR 70 2HG2 THR 70 3.469 16.135 -14.647 527 3HG2 THR 70 3HG2 THR 70 4.494 15.968 -13.202 528 HA PRO 71 HA PRO 71 -0.419 16.330 -17.041 529 1HB PRO 71 1HB PRO 71 0.275 17.923 -19.150 530 2HB PRO 71 2HB PRO 71 -1.076 18.272 -18.090 531 1HG PRO 71 1HG PRO 71 1.582 19.562 -18.192 532 2HG PRO 71 2HG PRO 71 0.103 20.152 -17.461 533 1HD PRO 71 1HD PRO 71 2.357 19.016 -16.097 534 2HD PRO 71 2HD PRO 71 0.832 19.499 -15.380 535 H ARG 72 H ARG 72 1.485 14.799 -16.221 536 HA ARG 72 HA ARG 72 2.619 13.984 -18.725 537 1HB ARG 72 1HB ARG 72 4.262 15.565 -17.382 538 2HB ARG 72 2HB ARG 72 4.486 14.179 -16.332 539 1HG ARG 72 1HG ARG 72 5.951 13.290 -17.813 540 2HG ARG 72 2HG ARG 72 4.684 13.203 -19.020 541 1HD ARG 72 1HD ARG 72 5.618 14.904 -20.201 542 2HD ARG 72 2HD ARG 72 5.568 15.960 -18.804 543 HE ARG 72 HE ARG 72 7.723 14.367 -18.218 544 1HH1 ARG 72 2HH2 ARG 72 6.834 16.170 -21.107 545 2HH1 ARG 72 1HH2 ARG 72 8.473 16.440 -21.597 546 1HH2 ARG 72 2HH1 ARG 72 9.885 14.722 -18.865 547 2HH2 ARG 72 1HH1 ARG 72 10.220 15.611 -20.314 548 H ALA 73 H ALA 73 2.345 13.489 -15.149 549 HA ALA 73 HA ALA 73 3.081 10.931 -14.838 550 1HB ALA 73 1HB ALA 73 0.655 12.380 -13.710 551 2HB ALA 73 2HB ALA 73 1.267 10.831 -13.083 552 3HB ALA 73 3HB ALA 73 2.286 12.289 -13.003 553 H VAL 74 H VAL 74 1.824 8.862 -14.733 554 HA VAL 74 HA VAL 74 -0.212 8.794 -16.852 555 HB VAL 74 HB VAL 74 1.836 7.882 -17.703 556 1HG1 VAL 74 1HG1 VAL 74 1.858 6.033 -15.292 557 2HG1 VAL 74 2HG1 VAL 74 3.009 6.008 -16.650 558 3HG1 VAL 74 3HG1 VAL 74 2.952 7.412 -15.558 559 1HG2 VAL 74 1HG2 VAL 74 -0.586 6.406 -17.449 560 2HG2 VAL 74 2HG2 VAL 74 0.631 6.325 -18.745 561 3HG2 VAL 74 3HG2 VAL 74 0.763 5.250 -17.332 562 H ASN 75 H ASN 75 -1.213 9.327 -14.448 563 HA ASN 75 HA ASN 75 -1.478 7.583 -12.508 564 1HB ASN 75 1HB ASN 75 -3.960 8.297 -12.391 565 2HB ASN 75 2HB ASN 75 -2.793 9.603 -12.438 566 1HD2 ASN 75 1HD2 ASN 75 -5.262 10.229 -13.102 567 2HD2 ASN 75 2HD2 ASN 75 -5.465 10.481 -14.804 568 H ALA 76 H ALA 76 -1.456 5.325 -12.883 569 HA ALA 76 HA ALA 76 -3.048 4.200 -14.992 570 1HB ALA 76 1HB ALA 76 -2.041 2.095 -14.250 571 2HB ALA 76 2HB ALA 76 -0.789 3.355 -14.367 572 3HB ALA 76 3HB ALA 76 -1.429 2.881 -12.775 573 H CYS 77 H CYS 77 -3.484 5.125 -11.675 574 HA CYS 77 HA CYS 77 -5.573 3.177 -11.242 575 1HB CYS 77 1HB CYS 77 -3.832 4.161 -9.522 576 2HB CYS 77 2HB CYS 77 -5.013 5.447 -9.373 577 H GLY 78 H GLY 78 -5.035 6.598 -12.103 578 1HA GLY 78 1HA GLY 78 -6.429 8.165 -12.916 579 2HA GLY 78 2HA GLY 78 -7.614 6.905 -13.200 580 H ILE 79 H ILE 79 -6.079 8.315 -10.213 581 HA ILE 79 HA ILE 79 -8.657 9.302 -9.374 582 HB ILE 79 HB ILE 79 -9.052 7.949 -7.611 583 1HG1 ILE 79 1HG1 ILE 79 -6.882 8.418 -6.513 584 2HG1 ILE 79 2HG1 ILE 79 -7.433 6.771 -6.281 585 1HG2 ILE 79 1HG2 ILE 79 -7.537 6.166 -9.533 586 2HG2 ILE 79 2HG2 ILE 79 -8.554 5.568 -8.200 587 3HG2 ILE 79 3HG2 ILE 79 -9.281 6.521 -9.515 588 1HD1 ILE 79 1HD1 ILE 79 -5.684 5.879 -7.460 589 2HD1 ILE 79 2HD1 ILE 79 -5.741 7.157 -8.697 590 3HD1 ILE 79 3HD1 ILE 79 -4.914 7.453 -7.149 591 H ASN 80 H ASN 80 -8.416 10.598 -7.296 592 HA ASN 80 HA ASN 80 -6.127 12.209 -7.602 593 1HB ASN 80 1HB ASN 80 -8.686 12.286 -6.163 594 2HB ASN 80 2HB ASN 80 -7.390 12.840 -5.122 595 1HD2 ASN 80 1HD2 ASN 80 -8.648 14.847 -5.307 596 2HD2 ASN 80 2HD2 ASN 80 -8.302 15.947 -6.599 597 H CYS 81 H CYS 81 -4.157 11.955 -6.524 598 HA CYS 81 HA CYS 81 -3.546 9.773 -5.027 599 1HB CYS 81 1HB CYS 81 -2.238 12.488 -4.775 600 2HB CYS 81 2HB CYS 81 -1.531 10.942 -4.348 601 H SER 82 H SER 82 -5.032 12.877 -4.086 602 HA SER 82 HA SER 82 -4.591 12.757 -1.379 603 1HB SER 82 1HB SER 82 -5.533 14.706 -2.655 604 2HB SER 82 2HB SER 82 -7.049 13.844 -2.824 605 HG SER 82 HG SER 82 -7.598 14.566 -0.895 606 H ALA 83 H ALA 83 -6.904 11.044 -3.477 607 HA ALA 83 HA ALA 83 -8.742 10.239 -1.558 608 1HB ALA 83 1HB ALA 83 -8.638 10.031 -4.191 609 2HB ALA 83 2HB ALA 83 -7.914 8.445 -3.832 610 3HB ALA 83 3HB ALA 83 -9.543 8.835 -3.232 611 H LEU 84 H LEU 84 -5.387 9.442 -1.971 612 HA LEU 84 HA LEU 84 -5.716 6.993 -0.407 613 1HB LEU 84 1HB LEU 84 -3.265 8.056 -1.814 614 2HB LEU 84 2HB LEU 84 -3.441 6.489 -1.049 615 HG LEU 84 HG LEU 84 -5.482 6.970 -3.094 616 1HD1 LEU 84 1HD1 LEU 84 -3.338 6.389 -4.754 617 2HD1 LEU 84 2HD1 LEU 84 -4.219 7.933 -4.655 618 3HD1 LEU 84 3HD1 LEU 84 -2.727 7.697 -3.712 619 1HD2 LEU 84 1HD2 LEU 84 -4.178 4.743 -3.865 620 2HD2 LEU 84 2HD2 LEU 84 -3.689 4.803 -2.155 621 3HD2 LEU 84 3HD2 LEU 84 -5.415 4.770 -2.586 622 H LEU 85 H LEU 85 -5.808 10.090 0.332 623 HA LEU 85 HA LEU 85 -4.002 9.758 2.623 624 1HB LEU 85 1HB LEU 85 -3.784 11.649 0.575 625 2HB LEU 85 2HB LEU 85 -4.503 12.522 1.914 626 HG LEU 85 HG LEU 85 -2.408 11.048 3.066 627 1HD1 LEU 85 1HD1 LEU 85 -0.636 10.952 1.703 628 2HD1 LEU 85 2HD1 LEU 85 -1.829 11.083 0.389 629 3HD1 LEU 85 3HD1 LEU 85 -0.984 12.537 0.972 630 1HD2 LEU 85 1HD2 LEU 85 -1.373 13.292 3.357 631 2HD2 LEU 85 2HD2 LEU 85 -2.611 13.962 2.268 632 3HD2 LEU 85 3HD2 LEU 85 -3.092 13.226 3.815 633 H GLN 86 H GLN 86 -6.957 9.153 2.032 634 HA GLN 86 HA GLN 86 -8.218 11.103 3.737 635 1HB GLN 86 1HB GLN 86 -9.475 8.640 2.461 636 2HB GLN 86 2HB GLN 86 -10.309 10.045 3.096 637 1HG GLN 86 1HG GLN 86 -8.515 11.156 1.246 638 2HG GLN 86 2HG GLN 86 -9.011 9.665 0.470 639 1HE2 GLN 86 1HE2 GLN 86 -9.599 12.666 0.192 640 2HE2 GLN 86 2HE2 GLN 86 -11.320 12.764 0.016 641 H ASP 87 H ASP 87 -10.194 9.344 4.931 642 HA ASP 87 HA ASP 87 -8.543 8.350 7.047 643 1HB ASP 87 1HB ASP 87 -10.446 9.466 7.869 644 2HB ASP 87 2HB ASP 87 -11.488 8.840 6.606 645 H ASP 88 H ASP 88 -11.141 7.158 4.790 646 HA ASP 88 HA ASP 88 -10.811 4.481 5.625 647 1HB ASP 88 1HB ASP 88 -12.126 5.583 3.097 648 2HB ASP 88 2HB ASP 88 -12.360 3.974 3.750 649 H ILE 89 H ILE 89 -9.472 2.889 4.675 650 HA ILE 89 HA ILE 89 -7.581 3.834 2.707 651 HB ILE 89 HB ILE 89 -6.436 1.732 3.149 652 1HG1 ILE 89 1HG1 ILE 89 -8.442 1.027 5.272 653 2HG1 ILE 89 2HG1 ILE 89 -8.735 0.543 3.613 654 1HG2 ILE 89 1HG2 ILE 89 -6.939 2.473 5.925 655 2HG2 ILE 89 2HG2 ILE 89 -5.466 2.634 4.939 656 3HG2 ILE 89 3HG2 ILE 89 -6.728 3.887 4.865 657 1HD1 ILE 89 1HD1 ILE 89 -6.101 -0.021 5.040 658 2HD1 ILE 89 2HD1 ILE 89 -7.472 -1.156 5.047 659 3HD1 ILE 89 3HD1 ILE 89 -6.682 -0.725 3.512 660 H THR 90 H THR 90 -10.695 2.841 2.497 661 HA THR 90 HA THR 90 -10.874 0.714 0.823 662 HB THR 90 HB THR 90 -12.426 3.078 1.550 663 HG1 THR 90 1HG THR 90 -13.267 1.055 2.045 664 1HG2 THR 90 1HG2 THR 90 -12.973 1.940 -1.233 665 2HG2 THR 90 2HG2 THR 90 -13.832 3.267 -0.415 666 3HG2 THR 90 3HG2 THR 90 -12.163 3.506 -0.988 667 H ALA 91 H ALA 91 -9.709 3.999 0.012 668 HA ALA 91 HA ALA 91 -9.626 3.450 -2.783 669 1HB ALA 91 1HB ALA 91 -9.645 5.703 -2.608 670 2HB ALA 91 2HB ALA 91 -9.060 5.659 -0.927 671 3HB ALA 91 3HB ALA 91 -7.902 5.570 -2.276 672 H ALA 92 H ALA 92 -7.350 3.275 -0.007 673 HA ALA 92 HA ALA 92 -5.038 2.842 -1.520 674 1HB ALA 92 1HB ALA 92 -5.908 2.783 1.265 675 2HB ALA 92 2HB ALA 92 -4.743 1.483 0.919 676 3HB ALA 92 3HB ALA 92 -4.311 3.177 0.584 677 H ILE 93 H ILE 93 -7.598 0.654 -0.255 678 HA ILE 93 HA ILE 93 -6.212 -1.701 -1.049 679 HB ILE 93 HB ILE 93 -9.136 -1.336 -0.401 680 1HG1 ILE 93 1HG1 ILE 93 -6.759 -1.719 1.435 681 2HG1 ILE 93 2HG1 ILE 93 -7.886 -0.377 1.413 682 1HG2 ILE 93 1HG2 ILE 93 -8.190 -3.809 0.515 683 2HG2 ILE 93 2HG2 ILE 93 -9.268 -3.502 -0.868 684 3HG2 ILE 93 3HG2 ILE 93 -7.510 -3.617 -1.119 685 1HD1 ILE 93 1HD1 ILE 93 -9.664 -2.410 1.737 686 2HD1 ILE 93 2HD1 ILE 93 -8.237 -3.136 2.514 687 3HD1 ILE 93 3HD1 ILE 93 -8.879 -1.584 3.105 688 H GLN 94 H GLN 94 -9.002 0.202 -2.369 689 HA GLN 94 HA GLN 94 -9.455 -1.414 -4.534 690 1HB GLN 94 1HB GLN 94 -10.810 0.601 -3.620 691 2HB GLN 94 2HB GLN 94 -9.759 1.611 -4.593 692 1HG GLN 94 1HG GLN 94 -10.626 -0.557 -6.270 693 2HG GLN 94 2HG GLN 94 -12.046 0.045 -5.438 694 1HE2 GLN 94 1HE2 GLN 94 -12.845 2.040 -5.856 695 2HE2 GLN 94 2HE2 GLN 94 -12.275 3.087 -7.113 696 H CYS 95 H CYS 95 -7.253 1.438 -4.182 697 HA CYS 95 HA CYS 95 -6.399 1.373 -6.859 698 1HB CYS 95 1HB CYS 95 -6.235 3.225 -4.995 699 2HB CYS 95 2HB CYS 95 -4.689 2.471 -4.659 700 H ALA 96 H ALA 96 -5.150 0.042 -3.732 701 HA ALA 96 HA ALA 96 -2.739 -0.932 -4.553 702 1HB ALA 96 1HB ALA 96 -4.809 -1.910 -2.571 703 2HB ALA 96 2HB ALA 96 -3.254 -2.750 -2.780 704 3HB ALA 96 3HB ALA 96 -3.283 -1.049 -2.258 705 H LYS 97 H LYS 97 -5.994 -2.506 -4.817 706 HA LYS 97 HA LYS 97 -4.942 -4.797 -6.116 707 1HB LYS 97 1HB LYS 97 -7.280 -5.400 -6.438 708 2HB LYS 97 2HB LYS 97 -6.997 -4.864 -4.794 709 1HG LYS 97 1HG LYS 97 -8.041 -2.737 -5.182 710 2HG LYS 97 2HG LYS 97 -7.957 -2.917 -6.924 711 1HD LYS 97 1HD LYS 97 -10.037 -3.813 -6.907 712 2HD LYS 97 2HD LYS 97 -9.421 -5.179 -5.998 713 1HE LYS 97 1HE LYS 97 -9.640 -3.392 -3.958 714 2HE LYS 97 2HE LYS 97 -10.876 -2.739 -5.015 715 1HZ LYS 97 1HZ LYS 97 -11.748 -5.054 -5.141 716 2HZ LYS 97 2HZ LYS 97 -10.728 -5.459 -3.932 717 3HZ LYS 97 3HZ LYS 97 -11.892 -4.342 -3.679 718 H ARG 98 H ARG 98 -6.452 -1.706 -7.186 719 HA ARG 98 HA ARG 98 -6.664 -2.403 -9.842 720 1HB ARG 98 1HB ARG 98 -7.709 -0.386 -8.724 721 2HB ARG 98 2HB ARG 98 -6.130 0.372 -8.665 722 1HG ARG 98 1HG ARG 98 -7.175 1.256 -10.629 723 2HG ARG 98 2HG ARG 98 -6.014 0.083 -11.217 724 1HD ARG 98 1HD ARG 98 -7.650 -1.378 -11.959 725 2HD ARG 98 2HD ARG 98 -8.732 -1.016 -10.629 726 HE ARG 98 HE ARG 98 -8.658 1.340 -12.139 727 1HH1 ARG 98 2HH2 ARG 98 -9.508 -2.020 -12.750 728 2HH1 ARG 98 1HH2 ARG 98 -10.661 -1.637 -13.985 729 1HH2 ARG 98 2HH1 ARG 98 -10.179 1.846 -13.768 730 2HH2 ARG 98 1HH1 ARG 98 -11.045 0.577 -14.568 731 H VAL 99 H VAL 99 -3.894 -1.614 -7.852 732 HA VAL 99 HA VAL 99 -2.253 -0.866 -10.120 733 HB VAL 99 HB VAL 99 -1.793 -1.095 -7.147 734 1HG1 VAL 99 1HG1 VAL 99 0.450 0.021 -7.713 735 2HG1 VAL 99 2HG1 VAL 99 0.302 -1.726 -8.019 736 3HG1 VAL 99 3HG1 VAL 99 0.188 -0.573 -9.370 737 1HG2 VAL 99 1HG2 VAL 99 -1.801 1.238 -7.098 738 2HG2 VAL 99 2HG2 VAL 99 -1.496 1.378 -8.846 739 3HG2 VAL 99 3HG2 VAL 99 -3.094 0.858 -8.260 740 H VAL 100 H VAL 100 -2.270 -3.425 -7.534 741 HA VAL 100 HA VAL 100 -0.255 -4.959 -8.656 742 HB VAL 100 HB VAL 100 -2.557 -5.483 -6.804 743 1HG1 VAL 100 1HG1 VAL 100 -2.475 -7.605 -7.764 744 2HG1 VAL 100 2HG1 VAL 100 -0.719 -7.523 -8.047 745 3HG1 VAL 100 3HG1 VAL 100 -1.346 -7.751 -6.396 746 1HG2 VAL 100 1HG2 VAL 100 -0.440 -6.085 -5.355 747 2HG2 VAL 100 2HG2 VAL 100 0.416 -5.124 -6.584 748 3HG2 VAL 100 3HG2 VAL 100 -0.895 -4.387 -5.633 749 H ARG 101 H ARG 101 -3.640 -4.526 -9.555 750 HA ARG 101 HA ARG 101 -4.135 -6.871 -10.819 751 1HB ARG 101 1HB ARG 101 -5.262 -4.231 -10.733 752 2HB ARG 101 2HB ARG 101 -5.161 -4.670 -12.427 753 1HG ARG 101 1HG ARG 101 -6.796 -6.258 -12.240 754 2HG ARG 101 2HG ARG 101 -6.135 -6.897 -10.748 755 1HD ARG 101 1HD ARG 101 -7.774 -5.847 -9.580 756 2HD ARG 101 2HD ARG 101 -7.159 -4.296 -10.118 757 HE ARG 101 HE ARG 101 -8.985 -4.151 -11.554 758 1HH1 ARG 101 2HH2 ARG 101 -8.341 -7.552 -10.920 759 2HH1 ARG 101 1HH2 ARG 101 -9.698 -8.112 -11.841 760 1HH2 ARG 101 2HH1 ARG 101 -10.775 -4.889 -12.768 761 2HH2 ARG 101 1HH1 ARG 101 -11.091 -6.587 -12.899 762 H ASP 102 H ASP 102 -1.794 -4.421 -11.601 763 HA ASP 102 HA ASP 102 -1.733 -4.942 -14.384 764 1HB ASP 102 1HB ASP 102 -0.552 -3.088 -12.526 765 2HB ASP 102 2HB ASP 102 0.764 -3.859 -13.388 766 HA PRO 103 HA PRO 103 1.356 -8.071 -14.338 767 1HB PRO 103 1HB PRO 103 3.281 -7.325 -16.129 768 2HB PRO 103 2HB PRO 103 1.735 -7.997 -16.608 769 1HG PRO 103 1HG PRO 103 2.658 -5.192 -16.745 770 2HG PRO 103 2HG PRO 103 1.321 -5.950 -17.587 771 1HD PRO 103 1HD PRO 103 1.152 -4.220 -15.306 772 2HD PRO 103 2HD PRO 103 -0.172 -5.070 -16.077 773 H GLN 104 H GLN 104 1.992 -5.246 -12.904 774 HA GLN 104 HA GLN 104 4.736 -5.569 -12.418 775 1HB GLN 104 1HB GLN 104 2.676 -4.038 -10.771 776 2HB GLN 104 2HB GLN 104 4.412 -3.804 -10.726 777 1HG GLN 104 1HG GLN 104 3.239 -3.636 -13.455 778 2HG GLN 104 2HG GLN 104 2.663 -2.399 -12.355 779 1HE2 GLN 104 1HE2 GLN 104 3.920 -1.305 -14.238 780 2HE2 GLN 104 2HE2 GLN 104 5.562 -0.872 -13.896 781 H GLY 105 H GLY 105 1.878 -5.955 -10.188 782 1HA GLY 105 1HA GLY 105 1.470 -7.595 -8.665 783 2HA GLY 105 2HA GLY 105 2.950 -8.411 -9.128 784 H ILE 106 H ILE 106 2.193 -8.173 -6.415 785 HA ILE 106 HA ILE 106 2.960 -6.071 -4.950 786 HB ILE 106 HB ILE 106 3.192 -9.019 -4.562 787 1HG1 ILE 106 1HG1 ILE 106 1.041 -7.659 -4.389 788 2HG1 ILE 106 2HG1 ILE 106 1.419 -8.736 -3.059 789 1HG2 ILE 106 1HG2 ILE 106 4.556 -6.934 -2.907 790 2HG2 ILE 106 2HG2 ILE 106 3.787 -8.316 -2.090 791 3HG2 ILE 106 3HG2 ILE 106 5.058 -8.595 -3.305 792 1HD1 ILE 106 1HD1 ILE 106 2.627 -6.091 -2.653 793 2HD1 ILE 106 2HD1 ILE 106 0.862 -5.990 -2.867 794 3HD1 ILE 106 3HD1 ILE 106 1.545 -7.016 -1.583 795 H ARG 107 H ARG 107 5.061 -8.190 -6.877 796 HA ARG 107 HA ARG 107 7.455 -7.895 -5.853 797 1HB ARG 107 1HB ARG 107 6.681 -8.806 -8.195 798 2HB ARG 107 2HB ARG 107 7.040 -7.197 -8.789 799 1HG ARG 107 1HG ARG 107 9.079 -8.321 -9.143 800 2HG ARG 107 2HG ARG 107 9.368 -7.508 -7.618 801 1HD ARG 107 1HD ARG 107 8.870 -9.559 -6.358 802 2HD ARG 107 2HD ARG 107 8.355 -10.384 -7.815 803 HE ARG 107 HE ARG 107 11.080 -9.363 -8.034 804 1HH1 ARG 107 2HH2 ARG 107 9.126 -12.029 -6.825 805 2HH1 ARG 107 1HH2 ARG 107 10.429 -13.170 -6.867 806 1HH2 ARG 107 2HH1 ARG 107 12.798 -10.869 -8.090 807 2HH2 ARG 107 1HH1 ARG 107 12.531 -12.506 -7.592 808 H ALA 108 H ALA 108 5.567 -5.319 -7.503 809 HA ALA 108 HA ALA 108 7.372 -3.396 -7.977 810 1HB ALA 108 1HB ALA 108 5.028 -3.090 -8.437 811 2HB ALA 108 2HB ALA 108 4.616 -3.190 -6.708 812 3HB ALA 108 3HB ALA 108 5.524 -1.789 -7.328 813 H TRP 109 H TRP 109 6.195 -4.503 -4.778 814 HA TRP 109 HA TRP 109 7.811 -2.458 -3.475 815 1HB TRP 109 1HB TRP 109 5.841 -4.486 -2.406 816 2HB TRP 109 2HB TRP 109 6.770 -3.389 -1.404 817 HD1 TRP 109 HD TRP 109 6.135 -0.693 -1.666 818 HE1 TRP 109 1HE TRP 109 3.919 0.574 -2.336 819 HE3 TRP 109 3HE TRP 109 3.891 -4.691 -3.864 820 HZ2 TRP 109 2HZ TRP 109 1.530 -0.220 -3.680 821 HZ3 TRP 109 3HZ TRP 109 1.617 -4.360 -4.831 822 HH2 TRP 109 HH TRP 109 0.440 -2.219 -4.764 823 H VAL 110 H VAL 110 9.620 -3.799 -4.787 824 HA VAL 110 HA VAL 110 10.426 -6.288 -4.160 825 HB VAL 110 HB VAL 110 11.482 -4.766 -5.767 826 1HG1 VAL 110 1HG1 VAL 110 13.374 -3.498 -3.970 827 2HG1 VAL 110 2HG1 VAL 110 12.329 -2.775 -5.217 828 3HG1 VAL 110 3HG1 VAL 110 11.704 -3.030 -3.570 829 1HG2 VAL 110 1HG2 VAL 110 12.633 -6.828 -4.957 830 2HG2 VAL 110 2HG2 VAL 110 13.751 -5.553 -5.497 831 3HG2 VAL 110 3HG2 VAL 110 13.493 -5.833 -3.758 832 H ALA 111 H ALA 111 10.359 -3.456 -2.047 833 HA ALA 111 HA ALA 111 12.212 -4.085 -0.154 834 1HB ALA 111 1HB ALA 111 9.953 -2.376 -0.446 835 2HB ALA 111 2HB ALA 111 9.780 -3.200 1.123 836 3HB ALA 111 3HB ALA 111 11.256 -2.272 0.763 837 H TRP 112 H TRP 112 8.806 -5.307 -0.414 838 HA TRP 112 HA TRP 112 8.847 -6.868 1.873 839 1HB TRP 112 1HB TRP 112 6.740 -6.855 1.175 840 2HB TRP 112 2HB TRP 112 7.189 -6.542 -0.490 841 HD1 TRP 112 HD TRP 112 5.853 -9.284 1.677 842 HE1 TRP 112 1HE TRP 112 5.639 -11.586 0.406 843 HE3 TRP 112 3HE TRP 112 8.597 -7.902 -2.375 844 HZ2 TRP 112 2HZ TRP 112 6.618 -12.550 -2.095 845 HZ3 TRP 112 3HZ TRP 112 8.920 -9.584 -4.187 846 HH2 TRP 112 HH TRP 112 7.983 -11.839 -4.093 847 H ARG 113 H ARG 113 10.259 -7.299 -1.361 848 HA ARG 113 HA ARG 113 10.639 -10.056 -1.137 849 1HB ARG 113 1HB ARG 113 10.767 -8.453 -3.230 850 2HB ARG 113 2HB ARG 113 12.438 -8.213 -2.759 851 1HG ARG 113 1HG ARG 113 12.230 -10.974 -2.627 852 2HG ARG 113 2HG ARG 113 11.132 -10.611 -3.943 853 1HD ARG 113 1HD ARG 113 13.006 -10.576 -5.253 854 2HD ARG 113 2HD ARG 113 13.276 -8.980 -4.582 855 HE ARG 113 HE ARG 113 14.419 -10.607 -2.679 856 1HH1 ARG 113 2HH2 ARG 113 14.769 -10.412 -6.175 857 2HH1 ARG 113 1HH2 ARG 113 16.408 -10.973 -6.171 858 1HH2 ARG 113 2HH1 ARG 113 16.581 -11.347 -2.673 859 2HH2 ARG 113 1HH1 ARG 113 17.446 -11.508 -4.165 860 H ALA 114 H ALA 114 12.112 -7.351 0.412 861 HA ALA 114 HA ALA 114 14.355 -9.056 1.240 862 1HB ALA 114 1HB ALA 114 15.410 -6.564 1.461 863 2HB ALA 114 2HB ALA 114 15.598 -7.582 0.013 864 3HB ALA 114 3HB ALA 114 14.342 -6.321 0.057 865 H HIS 115 H HIS 115 11.658 -8.685 2.397 866 HA HIS 115 HA HIS 115 12.557 -7.866 5.007 867 1HB HIS 115 1HB HIS 115 11.192 -6.013 3.403 868 2HB HIS 115 2HB HIS 115 9.972 -6.638 4.495 869 HD1 HIS 115 1HD HIS 115 9.801 -5.360 6.624 870 HD2 HIS 115 2HD HIS 115 13.683 -5.249 5.039 871 HE1 HIS 115 1HE HIS 115 11.171 -3.884 8.191 872 HE2 HIS 115 2HE HIS 115 13.560 -3.898 7.195 873 H CYS 116 H CYS 116 9.897 -9.017 2.857 874 HA CYS 116 HA CYS 116 8.713 -10.430 5.078 875 1HB CYS 116 1HB CYS 116 7.789 -9.379 2.605 876 2HB CYS 116 2HB CYS 116 7.539 -11.113 2.555 877 H GLN 117 H GLN 117 10.076 -11.157 1.778 878 HA GLN 117 HA GLN 117 10.161 -13.925 2.334 879 1HB GLN 117 1HB GLN 117 10.619 -12.154 0.061 880 2HB GLN 117 2HB GLN 117 11.891 -13.355 0.154 881 1HG GLN 117 1HG GLN 117 9.212 -14.503 0.654 882 2HG GLN 117 2HG GLN 117 9.335 -13.749 -0.923 883 1HE2 GLN 117 1HE2 GLN 117 11.170 -14.329 -2.283 884 2HE2 GLN 117 2HE2 GLN 117 11.796 -15.943 -2.240 885 H ASN 118 H ASN 118 11.389 -13.091 4.512 886 HA ASN 118 HA ASN 118 14.160 -13.735 3.971 887 1HB ASN 118 1HB ASN 118 13.567 -11.140 4.427 888 2HB ASN 118 2HB ASN 118 13.553 -11.668 6.098 889 1HD2 ASN 118 1HD2 ASN 118 15.416 -10.584 3.557 890 2HD2 ASN 118 2HD2 ASN 118 17.002 -10.967 4.138 891 H ARG 119 H ARG 119 11.759 -12.869 6.583 892 HA ARG 119 HA ARG 119 12.543 -15.338 7.903 893 1HB ARG 119 1HB ARG 119 13.303 -12.963 8.921 894 2HB ARG 119 2HB ARG 119 11.667 -12.956 9.549 895 1HG ARG 119 1HG ARG 119 12.617 -15.570 10.082 896 2HG ARG 119 2HG ARG 119 13.984 -14.529 10.428 897 1HD ARG 119 1HD ARG 119 11.257 -13.738 11.477 898 2HD ARG 119 2HD ARG 119 12.135 -15.014 12.295 899 HE ARG 119 HE ARG 119 13.724 -12.590 11.777 900 1HH1 ARG 119 2HH2 ARG 119 11.628 -14.278 14.044 901 2HH1 ARG 119 1HH2 ARG 119 12.195 -13.396 15.423 902 1HH2 ARG 119 2HH1 ARG 119 14.473 -11.426 13.596 903 2HH2 ARG 119 1HH1 ARG 119 13.824 -11.763 15.166 904 H ASP 120 H ASP 120 10.690 -15.274 10.036 905 HA ASP 120 HA ASP 120 8.289 -15.752 8.565 906 1HB ASP 120 1HB ASP 120 9.223 -17.215 10.459 907 2HB ASP 120 2HB ASP 120 8.761 -15.945 11.574 908 H LEU 121 H LEU 121 7.177 -13.819 8.077 909 HA LEU 121 HA LEU 121 7.079 -11.739 10.099 910 1HB LEU 121 1HB LEU 121 7.529 -11.466 7.559 911 2HB LEU 121 2HB LEU 121 5.793 -11.633 7.389 912 HG LEU 121 HG LEU 121 6.750 -9.272 7.492 913 1HD1 LEU 121 1HD1 LEU 121 4.755 -8.454 8.250 914 2HD1 LEU 121 2HD1 LEU 121 4.312 -10.159 7.993 915 3HD1 LEU 121 3HD1 LEU 121 4.686 -9.574 9.632 916 1HD2 LEU 121 1HD2 LEU 121 6.836 -9.763 10.474 917 2HD2 LEU 121 2HD2 LEU 121 8.279 -9.808 9.432 918 3HD2 LEU 121 3HD2 LEU 121 7.332 -8.308 9.577 919 H SER 122 H SER 122 5.615 -14.581 9.927 920 HA SER 122 HA SER 122 2.895 -13.808 9.882 921 1HB SER 122 1HB SER 122 4.278 -16.356 10.828 922 2HB SER 122 2HB SER 122 2.538 -16.172 10.739 923 HG SER 122 HG SER 122 2.579 -16.336 8.581 924 H GLN 123 H GLN 123 5.479 -13.936 12.268 925 HA GLN 123 HA GLN 123 3.847 -14.186 14.529 926 1HB GLN 123 1HB GLN 123 6.292 -14.665 14.505 927 2HB GLN 123 2HB GLN 123 6.629 -12.965 14.244 928 1HG GLN 123 1HG GLN 123 6.881 -13.449 16.625 929 2HG GLN 123 2HG GLN 123 5.479 -12.419 16.412 930 1HE2 GLN 123 1HE2 GLN 123 3.402 -13.252 16.620 931 2HE2 GLN 123 2HE2 GLN 123 3.063 -14.745 17.430 932 H TYR 124 H TYR 124 4.332 -11.630 12.270 933 HA TYR 124 HA TYR 124 3.928 -9.477 14.124 934 1HB TYR 124 1HB TYR 124 4.973 -9.853 11.575 935 2HB TYR 124 2HB TYR 124 3.363 -9.300 11.157 936 HD1 TYR 124 1HD TYR 124 3.524 -7.106 10.406 937 HD2 TYR 124 2HD TYR 124 5.706 -8.259 13.901 938 HE1 TYR 124 1HE TYR 124 4.270 -4.699 10.743 939 HE2 TYR 124 2HE TYR 124 6.445 -5.848 14.226 940 HH TYR 124 HH TYR 124 5.431 -3.549 13.543 941 H ILE 125 H ILE 125 1.952 -11.435 11.847 942 HA ILE 125 HA ILE 125 -0.370 -9.801 12.452 943 HB ILE 125 HB ILE 125 -1.475 -11.250 10.785 944 1HG1 ILE 125 1HG1 ILE 125 1.114 -12.396 9.882 945 2HG1 ILE 125 2HG1 ILE 125 0.418 -13.107 11.325 946 1HG2 ILE 125 1HG2 ILE 125 1.098 -9.914 9.903 947 2HG2 ILE 125 2HG2 ILE 125 -0.250 -10.368 8.832 948 3HG2 ILE 125 3HG2 ILE 125 -0.495 -9.144 10.101 949 1HD1 ILE 125 1HD1 ILE 125 -0.564 -14.374 9.593 950 2HD1 ILE 125 2HD1 ILE 125 -1.822 -13.167 9.953 951 3HD1 ILE 125 3HD1 ILE 125 -0.762 -12.953 8.539 952 H ARG 126 H ARG 126 1.118 -12.942 13.215 953 HA ARG 126 HA ARG 126 -1.200 -14.044 14.321 954 1HB ARG 126 1HB ARG 126 0.796 -15.377 13.588 955 2HB ARG 126 2HB ARG 126 1.741 -14.679 14.888 956 1HG ARG 126 1HG ARG 126 0.935 -16.198 16.367 957 2HG ARG 126 2HG ARG 126 -0.717 -15.746 15.999 958 1HD ARG 126 1HD ARG 126 0.739 -17.469 13.995 959 2HD ARG 126 2HD ARG 126 0.222 -18.222 15.490 960 HE ARG 126 HE ARG 126 -1.885 -16.630 14.223 961 1HH1 ARG 126 2HH2 ARG 126 -0.335 -19.787 14.332 962 2HH1 ARG 126 1HH2 ARG 126 -1.713 -20.627 13.702 963 1HH2 ARG 126 2HH1 ARG 126 -3.703 -17.737 13.391 964 2HH2 ARG 126 1HH1 ARG 126 -3.641 -19.453 13.163 965 H ASN 127 H ASN 127 -2.217 -12.848 15.950 966 HA ASN 127 HA ASN 127 -1.457 -12.976 18.483 967 1HB ASN 127 1HB ASN 127 0.215 -11.011 17.142 968 2HB ASN 127 2HB ASN 127 -0.807 -10.170 18.291 969 1HD2 ASN 127 1HD2 ASN 127 1.733 -10.040 18.827 970 2HD2 ASN 127 2HD2 ASN 127 2.228 -11.074 20.125 971 H CYS 128 H CYS 128 -2.832 -11.104 15.811 972 HA CYS 128 HA CYS 128 -4.532 -9.485 17.392 973 1HB CYS 128 1HB CYS 128 -3.709 -9.468 14.782 974 2HB CYS 128 2HB CYS 128 -5.355 -10.046 14.621 975 H GLY 129 H GLY 129 -4.526 -12.790 16.178 976 1HA GLY 129 1HA GLY 129 -5.966 -14.382 17.189 977 2HA GLY 129 2HA GLY 129 -7.227 -13.170 17.296 978 H VAL 130 H VAL 130 -5.148 -13.572 14.409 979 HA VAL 130 HA VAL 130 -7.542 -14.127 12.866 980 HB VAL 130 HB VAL 130 -4.737 -13.240 12.282 981 1HG1 VAL 130 1HG1 VAL 130 -5.901 -13.325 9.794 982 2HG1 VAL 130 2HG1 VAL 130 -4.721 -14.503 10.419 983 3HG1 VAL 130 3HG1 VAL 130 -6.464 -14.849 10.520 984 1HG2 VAL 130 1HG2 VAL 130 -6.028 -11.470 11.007 985 2HG2 VAL 130 2HG2 VAL 130 -7.509 -12.152 11.721 986 3HG2 VAL 130 3HG2 VAL 130 -6.248 -11.465 12.773 Start of MODEL 2 1 H LYS 1 H LYS 1 -4.027 10.311 9.484 2 HA LYS 1 HA LYS 1 -4.891 8.585 10.635 3 1HB LYS 1 1HB LYS 1 -5.990 8.452 8.496 4 2HB LYS 1 2HB LYS 1 -4.670 7.533 7.803 5 1HG LYS 1 1HG LYS 1 -5.530 5.583 8.583 6 2HG LYS 1 2HG LYS 1 -5.583 6.202 10.222 7 1HD LYS 1 1HD LYS 1 -7.694 6.909 8.137 8 2HD LYS 1 2HD LYS 1 -7.841 5.514 9.188 9 1HE LYS 1 1HE LYS 1 -7.168 7.661 10.920 10 2HE LYS 1 2HE LYS 1 -8.324 8.340 9.792 11 1HZ LYS 1 1HZ LYS 1 -9.788 6.490 10.286 12 2HZ LYS 1 2HZ LYS 1 -8.714 5.883 11.357 13 3HZ LYS 1 3HZ LYS 1 -9.427 7.325 11.642 14 H VAL 2 H VAL 2 -4.536 6.638 11.793 15 HA VAL 2 HA VAL 2 -1.787 5.657 11.505 16 HB VAL 2 HB VAL 2 -3.670 5.623 13.871 17 1HG1 VAL 2 1HG1 VAL 2 -1.852 3.754 13.546 18 2HG1 VAL 2 2HG1 VAL 2 -0.727 5.041 14.043 19 3HG1 VAL 2 3HG1 VAL 2 -2.051 4.549 15.126 20 1HG2 VAL 2 1HG2 VAL 2 -2.856 7.883 13.289 21 2HG2 VAL 2 2HG2 VAL 2 -2.203 7.312 14.843 22 3HG2 VAL 2 3HG2 VAL 2 -1.180 7.293 13.387 23 H TYR 3 H TYR 3 -1.379 3.397 11.469 24 HA TYR 3 HA TYR 3 -3.622 1.590 11.552 25 1HB TYR 3 1HB TYR 3 -2.309 2.690 9.086 26 2HB TYR 3 2HB TYR 3 -2.370 0.939 9.110 27 HD1 TYR 3 1HD TYR 3 -4.391 4.024 9.031 28 HD2 TYR 3 2HD TYR 3 -4.476 -0.251 8.895 29 HE1 TYR 3 1HE TYR 3 -6.799 4.090 8.215 30 HE2 TYR 3 2HE TYR 3 -6.883 -0.171 8.081 31 HH TYR 3 HH TYR 3 -8.295 2.628 6.907 32 H GLU 4 H GLU 4 -2.864 -0.096 12.723 33 HA GLU 4 HA GLU 4 -0.024 -0.677 12.447 34 1HB GLU 4 1HB GLU 4 -0.069 -1.556 14.676 35 2HB GLU 4 2HB GLU 4 -0.960 -0.049 14.733 36 1HG GLU 4 1HG GLU 4 -2.990 -1.810 14.122 37 2HG GLU 4 2HG GLU 4 -1.943 -2.847 15.070 38 H ARG 5 H ARG 5 0.432 -3.171 12.972 39 HA ARG 5 HA ARG 5 -0.353 -4.616 10.890 40 1HB ARG 5 1HB ARG 5 0.107 -6.675 12.397 41 2HB ARG 5 2HB ARG 5 1.391 -5.487 12.280 42 1HG ARG 5 1HG ARG 5 0.059 -4.438 14.404 43 2HG ARG 5 2HG ARG 5 -0.419 -6.113 14.598 44 1HD ARG 5 1HD ARG 5 1.775 -6.846 15.002 45 2HD ARG 5 2HD ARG 5 2.499 -5.541 14.083 46 HE ARG 5 HE ARG 5 1.168 -4.350 16.287 47 1HH1 ARG 5 2HH2 ARG 5 3.870 -6.530 15.715 48 2HH1 ARG 5 1HH2 ARG 5 4.721 -6.057 17.147 49 1HH2 ARG 5 2HH1 ARG 5 2.291 -3.724 18.176 50 2HH2 ARG 5 1HH1 ARG 5 3.817 -4.450 18.557 51 H CYS 6 H CYS 6 -1.886 -4.737 14.193 52 HA CYS 6 HA CYS 6 -3.856 -6.551 13.593 53 1HB CYS 6 1HB CYS 6 -3.373 -4.529 15.671 54 2HB CYS 6 2HB CYS 6 -5.069 -4.888 15.412 55 H GLU 7 H GLU 7 -4.515 -3.009 14.067 56 HA GLU 7 HA GLU 7 -6.876 -2.813 12.948 57 1HB GLU 7 1HB GLU 7 -4.551 -1.006 13.174 58 2HB GLU 7 2HB GLU 7 -5.638 -0.551 11.878 59 1HG GLU 7 1HG GLU 7 -6.439 -1.034 14.787 60 2HG GLU 7 2HG GLU 7 -6.291 0.532 14.015 61 H PHE 8 H PHE 8 -3.875 -2.270 10.951 62 HA PHE 8 HA PHE 8 -5.017 -2.129 8.512 63 1HB PHE 8 1HB PHE 8 -2.541 -1.998 9.295 64 2HB PHE 8 2HB PHE 8 -2.513 -3.750 9.265 65 HD1 PHE 8 1HD PHE 8 -1.848 -4.836 7.329 66 HD2 PHE 8 2HD PHE 8 -3.256 -0.843 7.052 67 HE1 PHE 8 1HE PHE 8 -1.226 -4.784 4.898 68 HE2 PHE 8 2HE PHE 8 -2.634 -0.791 4.622 69 HZ PHE 8 HZ PHE 8 -1.625 -2.763 3.573 70 H ALA 9 H ALA 9 -4.037 -5.163 10.244 71 HA ALA 9 HA ALA 9 -4.710 -6.927 8.218 72 1HB ALA 9 1HB ALA 9 -4.826 -7.280 11.241 73 2HB ALA 9 2HB ALA 9 -4.779 -8.595 10.042 74 3HB ALA 9 3HB ALA 9 -3.387 -7.500 10.217 75 H ARG 10 H ARG 10 -6.686 -5.768 11.040 76 HA ARG 10 HA ARG 10 -8.927 -7.182 10.472 77 1HB ARG 10 1HB ARG 10 -8.431 -5.672 12.495 78 2HB ARG 10 2HB ARG 10 -8.910 -4.305 11.508 79 1HG ARG 10 1HG ARG 10 -11.159 -5.334 11.159 80 2HG ARG 10 2HG ARG 10 -10.682 -6.718 12.121 81 1HD ARG 10 1HD ARG 10 -11.094 -5.619 14.075 82 2HD ARG 10 2HD ARG 10 -10.155 -4.227 13.574 83 HE ARG 10 HE ARG 10 -12.729 -4.378 12.205 84 1HH1 ARG 10 2HH2 ARG 10 -11.123 -3.323 15.153 85 2HH1 ARG 10 1HH2 ARG 10 -12.321 -2.131 15.531 86 1HH2 ARG 10 2HH1 ARG 10 -14.311 -2.805 12.703 87 2HH2 ARG 10 1HH1 ARG 10 -14.146 -1.834 14.128 88 H THR 11 H THR 11 -8.139 -3.772 9.457 89 HA THR 11 HA THR 11 -10.399 -3.306 7.940 90 HB THR 11 HB THR 11 -7.508 -2.329 7.781 91 HG1 THR 11 1HG THR 11 -8.882 -0.443 8.677 92 1HG2 THR 11 1HG2 THR 11 -8.965 -2.020 5.595 93 2HG2 THR 11 2HG2 THR 11 -9.909 -0.888 6.594 94 3HG2 THR 11 3HG2 THR 11 -8.179 -0.588 6.303 95 H LEU 12 H LEU 12 -7.210 -4.605 6.799 96 HA LEU 12 HA LEU 12 -7.879 -4.928 4.174 97 1HB LEU 12 1HB LEU 12 -5.808 -5.695 5.921 98 2HB LEU 12 2HB LEU 12 -6.317 -7.161 5.109 99 HG LEU 12 HG LEU 12 -6.133 -5.654 2.941 100 1HD1 LEU 12 1HD1 LEU 12 -4.433 -4.198 4.965 101 2HD1 LEU 12 2HD1 LEU 12 -4.106 -4.131 3.217 102 3HD1 LEU 12 3HD1 LEU 12 -5.659 -3.542 3.854 103 1HD2 LEU 12 1HD2 LEU 12 -4.879 -7.693 3.296 104 2HD2 LEU 12 2HD2 LEU 12 -3.803 -6.424 2.664 105 3HD2 LEU 12 3HD2 LEU 12 -3.757 -6.850 4.392 106 H LYS 13 H LYS 13 -8.419 -7.251 6.903 107 HA LYS 13 HA LYS 13 -9.682 -9.169 5.281 108 1HB LYS 13 1HB LYS 13 -8.632 -9.241 7.725 109 2HB LYS 13 2HB LYS 13 -10.291 -8.937 8.202 110 1HG LYS 13 1HG LYS 13 -11.069 -10.973 7.336 111 2HG LYS 13 2HG LYS 13 -9.805 -11.069 6.126 112 1HD LYS 13 1HD LYS 13 -8.251 -11.218 8.352 113 2HD LYS 13 2HD LYS 13 -9.733 -11.872 9.021 114 1HE LYS 13 1HE LYS 13 -8.714 -12.911 6.360 115 2HE LYS 13 2HE LYS 13 -7.987 -13.488 7.847 116 1HZ LYS 13 1HZ LYS 13 -10.030 -14.667 6.884 117 2HZ LYS 13 2HZ LYS 13 -9.934 -14.451 8.500 118 3HZ LYS 13 3HZ LYS 13 -10.887 -13.475 7.601 119 H ARG 14 H ARG 14 -10.744 -6.169 6.824 120 HA ARG 14 HA ARG 14 -13.486 -6.846 6.632 121 1HB ARG 14 1HB ARG 14 -12.481 -5.201 8.303 122 2HB ARG 14 2HB ARG 14 -12.207 -4.088 6.977 123 1HG ARG 14 1HG ARG 14 -14.490 -3.652 6.674 124 2HG ARG 14 2HG ARG 14 -14.985 -5.213 7.298 125 1HD ARG 14 1HD ARG 14 -13.724 -4.040 9.509 126 2HD ARG 14 2HD ARG 14 -14.517 -2.674 8.749 127 HE ARG 14 HE ARG 14 -16.254 -5.020 8.958 128 1HH1 ARG 14 2HH2 ARG 14 -15.061 -2.171 10.644 129 2HH1 ARG 14 1HH2 ARG 14 -16.419 -2.080 11.717 130 1HH2 ARG 14 2HH1 ARG 14 -18.046 -4.901 10.372 131 2HH2 ARG 14 1HH1 ARG 14 -18.128 -3.643 11.561 132 H ASN 15 H ASN 15 -11.014 -5.484 4.538 133 HA ASN 15 HA ASN 15 -12.947 -4.253 2.814 134 1HB ASN 15 1HB ASN 15 -10.294 -3.718 3.356 135 2HB ASN 15 2HB ASN 15 -10.122 -4.655 1.885 136 1HD2 ASN 15 1HD2 ASN 15 -11.197 -3.984 -0.025 137 2HD2 ASN 15 2HD2 ASN 15 -11.614 -2.325 -0.296 138 H GLY 16 H GLY 16 -10.720 -7.087 2.987 139 1HA GLY 16 1HA GLY 16 -11.475 -9.154 2.012 140 2HA GLY 16 2HA GLY 16 -12.115 -8.250 0.654 141 H MET 17 H MET 17 -8.934 -7.989 2.388 142 HA MET 17 HA MET 17 -7.690 -8.661 -0.166 143 1HB MET 17 1HB MET 17 -7.522 -6.238 1.431 144 2HB MET 17 2HB MET 17 -5.950 -7.012 1.464 145 1HG MET 17 1HG MET 17 -5.984 -5.529 -0.460 146 2HG MET 17 2HG MET 17 -6.031 -7.170 -1.070 147 1HE MET 17 1HE MET 17 -6.838 -7.201 -2.999 148 2HE MET 17 2HE MET 17 -8.408 -7.994 -2.728 149 3HE MET 17 3HE MET 17 -8.321 -6.497 -3.685 150 H ALA 18 H ALA 18 -7.521 -8.689 3.424 151 HA ALA 18 HA ALA 18 -5.101 -9.937 3.769 152 1HB ALA 18 1HB ALA 18 -7.726 -10.048 5.287 153 2HB ALA 18 2HB ALA 18 -6.251 -10.854 5.875 154 3HB ALA 18 3HB ALA 18 -6.273 -9.088 5.657 155 H GLY 19 H GLY 19 -4.350 -11.722 2.737 156 1HA GLY 19 1HA GLY 19 -4.240 -13.968 2.331 157 2HA GLY 19 2HA GLY 19 -5.880 -14.173 2.913 158 H TYR 20 H TYR 20 -5.077 -11.663 0.516 159 HA TYR 20 HA TYR 20 -7.053 -12.294 -1.246 160 1HB TYR 20 1HB TYR 20 -5.423 -10.287 -1.109 161 2HB TYR 20 2HB TYR 20 -4.192 -11.305 -1.830 162 HD1 TYR 20 1HD TYR 20 -3.872 -11.171 -4.126 163 HD2 TYR 20 2HD TYR 20 -7.709 -10.175 -2.517 164 HE1 TYR 20 1HE TYR 20 -4.674 -10.490 -6.441 165 HE2 TYR 20 2HE TYR 20 -8.498 -9.499 -4.837 166 HH TYR 20 HH TYR 20 -7.652 -8.819 -6.896 167 H TYR 21 H TYR 21 -6.479 -12.865 -3.724 168 HA TYR 21 HA TYR 21 -6.326 -15.485 -4.040 169 1HB TYR 21 1HB TYR 21 -5.541 -13.024 -5.544 170 2HB TYR 21 2HB TYR 21 -4.707 -14.448 -6.134 171 HD1 TYR 21 1HD TYR 21 -8.147 -13.205 -5.331 172 HD2 TYR 21 2HD TYR 21 -5.751 -15.852 -7.689 173 HE1 TYR 21 1HE TYR 21 -10.190 -13.843 -6.703 174 HE2 TYR 21 2HE TYR 21 -7.803 -16.481 -9.052 175 HH TYR 21 HH TYR 21 -10.417 -16.475 -8.477 176 H GLY 22 H GLY 22 -3.372 -13.360 -4.096 177 1HA GLY 22 1HA GLY 22 -1.782 -15.782 -3.494 178 2HA GLY 22 2HA GLY 22 -1.223 -14.444 -4.478 179 H VAL 23 H VAL 23 -1.614 -12.151 -3.237 180 HA VAL 23 HA VAL 23 0.230 -12.015 -1.241 181 HB VAL 23 HB VAL 23 -2.181 -10.214 -1.474 182 1HG1 VAL 23 1HG1 VAL 23 -0.975 -9.417 0.325 183 2HG1 VAL 23 2HG1 VAL 23 0.586 -9.961 -0.336 184 3HG1 VAL 23 3HG1 VAL 23 -0.215 -8.520 -1.011 185 1HG2 VAL 23 1HG2 VAL 23 -1.629 -9.954 -3.636 186 2HG2 VAL 23 2HG2 VAL 23 -0.219 -9.056 -3.027 187 3HG2 VAL 23 3HG2 VAL 23 -0.067 -10.782 -3.433 188 H SER 24 H SER 24 0.331 -12.818 0.786 189 HA SER 24 HA SER 24 -2.125 -13.739 1.958 190 1HB SER 24 1HB SER 24 0.614 -14.541 2.036 191 2HB SER 24 2HB SER 24 0.202 -14.061 3.670 192 HG SER 24 HG SER 24 -0.715 -16.245 2.148 193 H LEU 25 H LEU 25 -2.911 -13.043 4.049 194 HA LEU 25 HA LEU 25 -2.957 -10.396 4.540 195 1HB LEU 25 1HB LEU 25 -4.494 -11.862 5.578 196 2HB LEU 25 2HB LEU 25 -3.226 -12.745 6.403 197 HG LEU 25 HG LEU 25 -2.828 -10.958 7.930 198 1HD1 LEU 25 1HD1 LEU 25 -2.865 -8.926 6.934 199 2HD1 LEU 25 2HD1 LEU 25 -4.265 -9.324 5.909 200 3HD1 LEU 25 3HD1 LEU 25 -4.508 -8.888 7.618 201 1HD2 LEU 25 1HD2 LEU 25 -5.202 -12.342 7.823 202 2HD2 LEU 25 2HD2 LEU 25 -4.618 -11.374 9.198 203 3HD2 LEU 25 3HD2 LEU 25 -5.741 -10.657 8.016 204 H ALA 26 H ALA 26 -0.635 -12.785 5.961 205 HA ALA 26 HA ALA 26 0.740 -10.957 7.540 206 1HB ALA 26 1HB ALA 26 2.441 -12.679 7.650 207 2HB ALA 26 2HB ALA 26 0.848 -13.472 7.626 208 3HB ALA 26 3HB ALA 26 1.843 -13.430 6.151 209 H ASP 27 H ASP 27 1.105 -11.908 4.084 210 HA ASP 27 HA ASP 27 3.480 -10.562 3.665 211 1HB ASP 27 1HB ASP 27 1.190 -11.005 1.692 212 2HB ASP 27 2HB ASP 27 2.854 -10.664 1.259 213 H TRP 28 H TRP 28 0.024 -9.580 3.625 214 HA TRP 28 HA TRP 28 0.382 -7.081 2.387 215 1HB TRP 28 1HB TRP 28 -1.758 -8.359 4.048 216 2HB TRP 28 2HB TRP 28 -1.841 -6.643 3.704 217 HD1 TRP 28 HD TRP 28 -3.191 -9.684 2.327 218 HE1 TRP 28 1HE TRP 28 -3.850 -9.564 -0.226 219 HE3 TRP 28 3HE TRP 28 -0.554 -5.459 1.307 220 HZ2 TRP 28 2HZ TRP 28 -3.209 -7.754 -2.338 221 HZ3 TRP 28 3HZ TRP 28 -0.624 -4.581 -1.025 222 HH2 TRP 28 HH TRP 28 -1.892 -5.657 -2.816 223 H VAL 29 H VAL 29 -0.052 -8.041 5.876 224 HA VAL 29 HA VAL 29 0.407 -5.531 6.937 225 HB VAL 29 HB VAL 29 0.815 -8.329 7.983 226 1HG1 VAL 29 1HG1 VAL 29 0.954 -5.761 9.599 227 2HG1 VAL 29 2HG1 VAL 29 1.075 -7.425 10.221 228 3HG1 VAL 29 3HG1 VAL 29 2.351 -6.775 9.165 229 1HG2 VAL 29 1HG2 VAL 29 -1.500 -7.568 7.465 230 2HG2 VAL 29 2HG2 VAL 29 -1.246 -7.927 9.190 231 3HG2 VAL 29 3HG2 VAL 29 -1.289 -6.238 8.630 232 H CYS 30 H CYS 30 2.762 -8.284 6.591 233 HA CYS 30 HA CYS 30 4.977 -7.002 7.475 234 1HB CYS 30 1HB CYS 30 6.168 -8.734 6.633 235 2HB CYS 30 2HB CYS 30 4.561 -9.432 6.565 236 H LEU 31 H LEU 31 3.531 -7.001 4.149 237 HA LEU 31 HA LEU 31 5.489 -5.449 2.937 238 1HB LEU 31 1HB LEU 31 3.871 -6.743 1.706 239 2HB LEU 31 2HB LEU 31 2.549 -5.785 2.341 240 HG LEU 31 HG LEU 31 3.003 -5.159 0.054 241 1HD1 LEU 31 1HD1 LEU 31 4.122 -2.819 1.543 242 2HD1 LEU 31 2HD1 LEU 31 2.833 -2.892 0.317 243 3HD1 LEU 31 3HD1 LEU 31 2.509 -3.428 1.984 244 1HD2 LEU 31 1HD2 LEU 31 5.426 -3.815 0.012 245 2HD2 LEU 31 2HD2 LEU 31 5.783 -5.303 0.921 246 3HD2 LEU 31 3HD2 LEU 31 5.080 -5.404 -0.710 247 H ALA 32 H ALA 32 2.300 -4.442 4.362 248 HA ALA 32 HA ALA 32 2.703 -1.717 3.994 249 1HB ALA 32 1HB ALA 32 0.511 -2.501 4.457 250 2HB ALA 32 2HB ALA 32 1.042 -3.373 5.915 251 3HB ALA 32 3HB ALA 32 0.987 -1.594 5.912 252 H GLN 33 H GLN 33 4.121 -4.004 6.242 253 HA GLN 33 HA GLN 33 4.766 -2.063 8.196 254 1HB GLN 33 1HB GLN 33 4.542 -4.658 8.433 255 2HB GLN 33 2HB GLN 33 6.186 -4.720 7.832 256 1HG GLN 33 1HG GLN 33 6.293 -2.714 9.797 257 2HG GLN 33 2HG GLN 33 5.194 -3.894 10.485 258 1HE2 GLN 33 1HE2 GLN 33 7.958 -3.110 11.170 259 2HE2 GLN 33 2HE2 GLN 33 8.901 -4.563 11.177 260 H HIS 34 H HIS 34 6.658 -3.856 5.661 261 HA HIS 34 HA HIS 34 9.060 -2.570 6.140 262 1HB HIS 34 1HB HIS 34 8.489 -4.654 4.718 263 2HB HIS 34 2HB HIS 34 8.176 -3.522 3.417 264 HD1 HIS 34 1HD HIS 34 10.434 -1.587 3.443 265 HD2 HIS 34 2HD HIS 34 10.999 -5.640 4.370 266 HE1 HIS 34 1HE HIS 34 12.908 -2.076 3.043 267 HE2 HIS 34 2HE HIS 34 13.204 -4.566 3.682 268 H GLU 35 H GLU 35 6.115 -1.499 4.527 269 HA GLU 35 HA GLU 35 7.382 0.558 3.063 270 1HB GLU 35 1HB GLU 35 4.469 0.084 3.826 271 2HB GLU 35 2HB GLU 35 4.992 1.375 2.763 272 1HG GLU 35 1HG GLU 35 5.691 -1.545 2.235 273 2HG GLU 35 2HG GLU 35 4.216 -0.816 1.633 274 H SER 36 H SER 36 5.132 0.614 5.929 275 HA SER 36 HA SER 36 6.528 2.053 7.624 276 1HB SER 36 1HB SER 36 5.713 3.804 5.362 277 2HB SER 36 2HB SER 36 5.337 4.453 6.946 278 HG SER 36 HG SER 36 7.391 5.105 6.852 279 H ASN 37 H ASN 37 4.699 0.299 8.164 280 HA ASN 37 HA ASN 37 2.059 0.994 8.124 281 1HB ASN 37 1HB ASN 37 1.767 -0.724 9.866 282 2HB ASN 37 2HB ASN 37 2.992 -1.271 8.737 283 1HD2 ASN 37 1HD2 ASN 37 2.655 -2.171 11.388 284 2HD2 ASN 37 2HD2 ASN 37 4.070 -1.780 12.308 285 H TYR 38 H TYR 38 1.332 0.707 10.990 286 HA TYR 38 HA TYR 38 0.999 1.902 12.831 287 1HB TYR 38 1HB TYR 38 3.572 3.322 11.894 288 2HB TYR 38 2HB TYR 38 2.904 3.460 13.508 289 HD1 TYR 38 1HD TYR 38 5.647 2.279 12.204 290 HD2 TYR 38 2HD TYR 38 2.179 0.628 14.089 291 HE1 TYR 38 1HE TYR 38 7.001 0.257 12.943 292 HE2 TYR 38 2HE TYR 38 3.545 -1.387 14.823 293 HH TYR 38 HH TYR 38 5.510 -2.551 14.196 294 H ASN 39 H ASN 39 2.449 4.174 10.381 295 HA ASN 39 HA ASN 39 0.066 5.804 10.796 296 1HB ASN 39 1HB ASN 39 2.058 6.977 11.650 297 2HB ASN 39 2HB ASN 39 2.943 6.646 10.174 298 1HD2 ASN 39 1HD2 ASN 39 -0.230 7.968 11.127 299 2HD2 ASN 39 2HD2 ASN 39 -0.206 9.358 10.093 300 H THR 40 H THR 40 -0.630 7.023 8.788 301 HA THR 40 HA THR 40 0.488 5.929 6.305 302 HB THR 40 HB THR 40 -1.462 4.542 6.767 303 HG1 THR 40 1HG THR 40 -2.885 5.563 5.018 304 1HG2 THR 40 1HG2 THR 40 -3.732 5.980 6.810 305 2HG2 THR 40 2HG2 THR 40 -2.880 5.591 8.323 306 3HG2 THR 40 3HG2 THR 40 -2.677 7.193 7.573 307 H ARG 41 H ARG 41 1.166 8.401 7.488 308 HA ARG 41 HA ARG 41 -0.427 10.243 5.907 309 1HB ARG 41 1HB ARG 41 0.181 10.499 8.508 310 2HB ARG 41 2HB ARG 41 1.683 11.147 7.881 311 1HG ARG 41 1HG ARG 41 0.334 12.769 6.468 312 2HG ARG 41 2HG ARG 41 -1.122 12.173 7.240 313 1HD ARG 41 1HD ARG 41 -0.403 12.963 9.421 314 2HD ARG 41 2HD ARG 41 1.223 13.279 8.848 315 HE ARG 41 HE ARG 41 -0.262 14.881 7.193 316 1HH1 ARG 41 2HH2 ARG 41 -0.258 14.466 10.687 317 2HH1 ARG 41 1HH2 ARG 41 -0.761 16.092 11.009 318 1HH2 ARG 41 2HH1 ARG 41 -0.926 17.026 7.617 319 2HH2 ARG 41 1HH1 ARG 41 -1.145 17.558 9.250 320 H ALA 42 H ALA 42 2.182 8.318 5.482 321 HA ALA 42 HA ALA 42 4.376 9.753 4.859 322 1HB ALA 42 1HB ALA 42 4.461 7.996 2.856 323 2HB ALA 42 2HB ALA 42 4.612 7.473 4.551 324 3HB ALA 42 3HB ALA 42 3.053 7.315 3.706 325 H THR 43 H THR 43 4.650 11.615 3.744 326 HA THR 43 HA THR 43 3.387 11.839 1.132 327 HB THR 43 HB THR 43 2.761 14.294 1.952 328 HG1 THR 43 1HG THR 43 2.554 14.338 4.231 329 1HG2 THR 43 1HG2 THR 43 0.964 12.729 1.355 330 2HG2 THR 43 2HG2 THR 43 1.245 11.784 2.837 331 3HG2 THR 43 3HG2 THR 43 0.578 13.431 2.944 332 H ASN 44 H ASN 44 4.766 12.620 -0.346 333 HA ASN 44 HA ASN 44 6.853 14.373 0.589 334 1HB ASN 44 1HB ASN 44 7.255 11.568 -0.313 335 2HB ASN 44 2HB ASN 44 8.242 12.716 -1.194 336 1HD2 ASN 44 1HD2 ASN 44 9.122 10.699 0.616 337 2HD2 ASN 44 2HD2 ASN 44 9.947 11.460 1.936 338 H TYR 45 H TYR 45 6.050 16.076 -0.738 339 HA TYR 45 HA TYR 45 5.366 15.483 -3.494 340 1HB TYR 45 1HB TYR 45 5.231 17.774 -1.482 341 2HB TYR 45 2HB TYR 45 5.097 18.176 -3.182 342 HD1 TYR 45 1HD TYR 45 3.091 17.704 -4.427 343 HD2 TYR 45 2HD TYR 45 3.504 16.328 -0.397 344 HE1 TYR 45 1HE TYR 45 0.612 17.146 -4.357 345 HE2 TYR 45 2HE TYR 45 1.022 15.775 -0.340 346 HH TYR 45 HH TYR 45 -0.949 16.037 -3.242 347 H ASN 46 H ASN 46 6.342 16.565 -5.318 348 HA ASN 46 HA ASN 46 8.670 18.119 -4.870 349 1HB ASN 46 1HB ASN 46 8.908 15.311 -6.068 350 2HB ASN 46 2HB ASN 46 10.155 16.529 -6.239 351 1HD2 ASN 46 1HD2 ASN 46 11.289 17.272 -4.430 352 2HD2 ASN 46 2HD2 ASN 46 11.386 16.367 -2.955 353 H ARG 47 H ARG 47 8.007 19.702 -6.357 354 HA ARG 47 HA ARG 47 6.657 18.896 -8.728 355 1HB ARG 47 1HB ARG 47 6.444 21.112 -7.210 356 2HB ARG 47 2HB ARG 47 7.670 21.714 -8.307 357 1HG ARG 47 1HG ARG 47 6.215 21.832 -10.081 358 2HG ARG 47 2HG ARG 47 5.432 20.318 -9.675 359 1HD ARG 47 1HD ARG 47 3.923 21.337 -8.170 360 2HD ARG 47 2HD ARG 47 4.973 22.710 -7.880 361 HE ARG 47 HE ARG 47 4.117 23.766 -9.801 362 1HH1 ARG 47 2HH2 ARG 47 3.140 20.386 -9.766 363 2HH1 ARG 47 1HH2 ARG 47 2.029 20.561 -11.084 364 1HH2 ARG 47 2HH1 ARG 47 2.651 23.997 -11.540 365 2HH2 ARG 47 1HH1 ARG 47 1.749 22.629 -12.099 366 H GLY 48 H GLY 48 9.911 19.940 -7.715 367 1HA GLY 48 1HA GLY 48 11.167 20.871 -9.872 368 2HA GLY 48 2HA GLY 48 11.882 19.669 -8.816 369 H ASP 49 H ASP 49 10.237 17.403 -9.371 370 HA ASP 49 HA ASP 49 10.849 17.026 -12.198 371 1HB ASP 49 1HB ASP 49 12.304 15.753 -10.529 372 2HB ASP 49 2HB ASP 49 10.863 14.909 -9.998 373 H GLN 50 H GLN 50 8.325 17.996 -10.943 374 HA GLN 50 HA GLN 50 6.204 17.449 -10.587 375 1HB GLN 50 1HB GLN 50 6.550 17.883 -13.077 376 2HB GLN 50 2HB GLN 50 6.537 16.149 -13.322 377 1HG GLN 50 1HG GLN 50 4.286 16.963 -13.730 378 2HG GLN 50 2HG GLN 50 4.255 16.053 -12.233 379 1HE2 GLN 50 1HE2 GLN 50 4.863 19.349 -13.432 380 2HE2 GLN 50 2HE2 GLN 50 4.034 20.200 -12.170 381 H SER 51 H SER 51 7.316 15.709 -8.959 382 HA SER 51 HA SER 51 5.825 13.292 -9.486 383 1HB SER 51 1HB SER 51 7.642 11.805 -9.048 384 2HB SER 51 2HB SER 51 8.259 12.966 -10.207 385 HG SER 51 HG SER 51 9.082 12.461 -7.604 386 H THR 52 H THR 52 5.291 12.107 -7.488 387 HA THR 52 HA THR 52 6.054 13.388 -4.991 388 HB THR 52 HB THR 52 3.271 13.393 -6.215 389 HG1 THR 52 1HG THR 52 3.707 15.557 -5.891 390 1HG2 THR 52 1HG2 THR 52 3.855 13.904 -3.265 391 2HG2 THR 52 2HG2 THR 52 2.270 13.772 -4.063 392 3HG2 THR 52 3HG2 THR 52 3.274 12.321 -3.833 393 H ASP 53 H ASP 53 5.536 12.086 -3.096 394 HA ASP 53 HA ASP 53 4.841 9.358 -3.784 395 1HB ASP 53 1HB ASP 53 7.246 10.199 -2.097 396 2HB ASP 53 2HB ASP 53 6.689 8.546 -2.272 397 H TYR 54 H TYR 54 3.151 8.814 -2.398 398 HA TYR 54 HA TYR 54 3.349 9.556 0.395 399 1HB TYR 54 1HB TYR 54 0.924 10.464 0.162 400 2HB TYR 54 2HB TYR 54 2.158 11.482 -0.553 401 HD1 TYR 54 1HD TYR 54 0.048 8.548 -1.598 402 HD2 TYR 54 2HD TYR 54 1.654 12.378 -2.624 403 HE1 TYR 54 1HE TYR 54 -1.171 8.469 -3.828 404 HE2 TYR 54 2HE TYR 54 0.430 12.287 -4.851 405 HH TYR 54 HH TYR 54 -0.992 9.415 -6.009 406 H GLY 55 H GLY 55 1.418 8.565 1.645 407 1HA GLY 55 1HA GLY 55 -0.274 6.926 1.727 408 2HA GLY 55 2HA GLY 55 0.374 6.174 0.283 409 H ILE 56 H ILE 56 -0.192 5.058 3.048 410 HA ILE 56 HA ILE 56 2.102 4.656 4.505 411 HB ILE 56 HB ILE 56 -0.099 4.081 5.290 412 1HG1 ILE 56 1HG1 ILE 56 1.588 1.566 5.149 413 2HG1 ILE 56 2HG1 ILE 56 1.950 2.928 6.191 414 1HG2 ILE 56 1HG2 ILE 56 -0.328 2.736 2.785 415 2HG2 ILE 56 2HG2 ILE 56 -0.575 1.546 4.086 416 3HG2 ILE 56 3HG2 ILE 56 -1.574 3.018 4.024 417 1HD1 ILE 56 1HD1 ILE 56 0.417 2.251 7.713 418 2HD1 ILE 56 2HD1 ILE 56 -0.858 2.196 6.471 419 3HD1 ILE 56 3HD1 ILE 56 0.185 0.779 6.740 420 H PHE 57 H PHE 57 1.086 3.279 1.398 421 HA PHE 57 HA PHE 57 3.229 1.327 1.507 422 1HB PHE 57 1HB PHE 57 0.838 2.042 -0.228 423 2HB PHE 57 2HB PHE 57 2.126 1.128 -0.984 424 HD1 PHE 57 1HD PHE 57 0.491 0.966 2.377 425 HD2 PHE 57 2HD PHE 57 1.546 -1.086 -1.184 426 HE1 PHE 57 1HE PHE 57 -0.464 -1.157 3.317 427 HE2 PHE 57 2HE PHE 57 0.592 -3.209 -0.244 428 HZ PHE 57 HZ PHE 57 -0.402 -3.219 1.995 429 H GLN 58 H GLN 58 3.531 4.436 1.317 430 HA GLN 58 HA GLN 58 4.558 5.939 0.070 431 1HB GLN 58 1HB GLN 58 6.341 4.516 1.255 432 2HB GLN 58 2HB GLN 58 6.631 3.736 -0.288 433 1HG GLN 58 1HG GLN 58 8.018 5.439 -0.842 434 2HG GLN 58 2HG GLN 58 6.636 6.516 -0.865 435 1HE2 GLN 58 1HE2 GLN 58 6.433 8.049 0.622 436 2HE2 GLN 58 2HE2 GLN 58 7.452 8.276 2.003 437 H ILE 59 H ILE 59 2.880 5.820 -1.684 438 HA ILE 59 HA ILE 59 3.864 4.461 -4.080 439 HB ILE 59 HB ILE 59 1.200 5.267 -3.046 440 1HG1 ILE 59 1HG1 ILE 59 1.858 2.928 -4.822 441 2HG1 ILE 59 2HG1 ILE 59 2.321 2.907 -3.131 442 1HG2 ILE 59 1HG2 ILE 59 0.244 5.079 -5.357 443 2HG2 ILE 59 2HG2 ILE 59 1.184 6.559 -5.052 444 3HG2 ILE 59 3HG2 ILE 59 1.900 5.227 -5.990 445 1HD1 ILE 59 1HD1 ILE 59 -0.511 3.662 -3.901 446 2HD1 ILE 59 2HD1 ILE 59 -0.027 1.951 -3.817 447 3HD1 ILE 59 3HD1 ILE 59 0.088 2.981 -2.370 448 H ASN 60 H ASN 60 4.360 5.583 -5.974 449 HA ASN 60 HA ASN 60 4.897 8.364 -5.517 450 1HB ASN 60 1HB ASN 60 5.790 7.979 -8.042 451 2HB ASN 60 2HB ASN 60 6.728 7.470 -6.652 452 1HD2 ASN 60 1HD2 ASN 60 4.538 6.466 -9.191 453 2HD2 ASN 60 2HD2 ASN 60 4.885 4.770 -9.159 454 H SER 61 H SER 61 3.831 10.071 -6.650 455 HA SER 61 HA SER 61 1.436 9.248 -8.027 456 1HB SER 61 1HB SER 61 0.795 10.943 -6.609 457 2HB SER 61 2HB SER 61 2.381 11.689 -6.602 458 HG SER 61 HG SER 61 1.108 13.120 -7.735 459 H ARG 62 H ARG 62 4.464 9.335 -9.019 460 HA ARG 62 HA ARG 62 4.200 11.185 -11.186 461 1HB ARG 62 1HB ARG 62 6.372 10.512 -9.820 462 2HB ARG 62 2HB ARG 62 6.432 9.139 -10.907 463 1HG ARG 62 1HG ARG 62 5.963 11.322 -12.624 464 2HG ARG 62 2HG ARG 62 7.076 11.967 -11.434 465 1HD ARG 62 1HD ARG 62 8.266 9.542 -11.911 466 2HD ARG 62 2HD ARG 62 7.510 9.811 -13.469 467 HE ARG 62 HE ARG 62 8.946 12.158 -12.450 468 1HH1 ARG 62 2HH2 ARG 62 9.224 9.176 -14.298 469 2HH1 ARG 62 1HH2 ARG 62 10.630 9.695 -15.167 470 1HH2 ARG 62 2HH1 ARG 62 10.801 12.843 -13.596 471 2HH2 ARG 62 1HH1 ARG 62 11.533 11.795 -14.765 472 H TYR 63 H TYR 63 3.987 7.687 -10.518 473 HA TYR 63 HA TYR 63 3.448 7.233 -13.376 474 1HB TYR 63 1HB TYR 63 5.109 5.982 -11.303 475 2HB TYR 63 2HB TYR 63 3.891 4.828 -11.806 476 HD1 TYR 63 1HD TYR 63 6.190 7.300 -13.467 477 HD2 TYR 63 2HD TYR 63 4.537 3.354 -13.467 478 HE1 TYR 63 1HE TYR 63 7.586 6.708 -15.507 479 HE2 TYR 63 2HE TYR 63 5.939 2.775 -15.507 480 HH TYR 63 HH TYR 63 7.025 4.544 -17.506 481 H TRP 64 H TRP 64 2.235 7.139 -10.083 482 HA TRP 64 HA TRP 64 -0.129 5.678 -11.047 483 1HB TRP 64 1HB TRP 64 1.210 5.780 -8.357 484 2HB TRP 64 2HB TRP 64 -0.483 5.353 -8.510 485 HD1 TRP 64 HD TRP 64 -0.753 3.234 -10.608 486 HE1 TRP 64 1HE TRP 64 0.538 0.935 -10.728 487 HE3 TRP 64 3HE TRP 64 3.151 4.673 -7.686 488 HZ2 TRP 64 2HZ TRP 64 2.992 -0.002 -9.612 489 HZ3 TRP 64 3HZ TRP 64 4.952 3.006 -7.250 490 HH2 TRP 64 HH TRP 64 4.916 0.739 -8.160 491 H CYS 65 H CYS 65 -2.190 6.451 -9.803 492 HA CYS 65 HA CYS 65 -3.636 8.053 -9.410 493 1HB CYS 65 1HB CYS 65 -3.206 9.472 -7.712 494 2HB CYS 65 2HB CYS 65 -1.804 8.437 -7.540 495 H ASN 66 H ASN 66 -4.374 10.265 -10.186 496 HA ASN 66 HA ASN 66 -2.705 11.157 -12.403 497 1HB ASN 66 1HB ASN 66 -5.292 11.813 -13.188 498 2HB ASN 66 2HB ASN 66 -4.410 10.406 -13.749 499 1HD2 ASN 66 1HD2 ASN 66 -7.046 11.588 -11.960 500 2HD2 ASN 66 2HD2 ASN 66 -7.683 10.093 -11.361 501 H ASP 67 H ASP 67 -3.975 13.444 -13.195 502 HA ASP 67 HA ASP 67 -4.956 14.877 -10.930 503 1HB ASP 67 1HB ASP 67 -2.286 14.921 -11.057 504 2HB ASP 67 2HB ASP 67 -2.564 16.096 -12.328 505 H GLY 68 H GLY 68 -3.542 14.983 -14.275 506 1HA GLY 68 1HA GLY 68 -4.559 15.663 -16.205 507 2HA GLY 68 2HA GLY 68 -5.940 16.243 -15.296 508 H LYS 69 H LYS 69 -3.282 17.431 -13.645 509 HA LYS 69 HA LYS 69 -3.536 19.991 -15.026 510 1HB LYS 69 1HB LYS 69 -3.545 19.230 -12.305 511 2HB LYS 69 2HB LYS 69 -2.036 20.083 -12.556 512 1HG LYS 69 1HG LYS 69 -3.304 21.961 -13.655 513 2HG LYS 69 2HG LYS 69 -4.805 21.113 -13.337 514 1HD LYS 69 1HD LYS 69 -3.826 21.084 -10.820 515 2HD LYS 69 2HD LYS 69 -2.951 22.487 -11.400 516 1HE LYS 69 1HE LYS 69 -5.302 23.284 -12.302 517 2HE LYS 69 2HE LYS 69 -5.954 22.095 -11.193 518 1HZ LYS 69 1HZ LYS 69 -5.279 24.578 -10.520 519 2HZ LYS 69 2HZ LYS 69 -5.401 23.343 -9.457 520 3HZ LYS 69 3HZ LYS 69 -3.941 23.769 -10.050 521 H THR 70 H THR 70 -1.500 17.242 -14.801 522 HA THR 70 HA THR 70 0.680 18.803 -16.002 523 HB THR 70 HB THR 70 1.310 18.360 -13.665 524 HG1 THR 70 1HG THR 70 2.896 17.974 -15.396 525 1HG2 THR 70 1HG2 THR 70 0.828 16.410 -12.566 526 2HG2 THR 70 2HG2 THR 70 -0.217 15.996 -13.946 527 3HG2 THR 70 3HG2 THR 70 1.471 15.432 -13.907 528 HA PRO 71 HA PRO 71 -0.166 15.696 -18.963 529 1HB PRO 71 1HB PRO 71 0.990 16.977 -21.082 530 2HB PRO 71 2HB PRO 71 -0.682 17.215 -20.615 531 1HG PRO 71 1HG PRO 71 1.628 19.013 -20.209 532 2HG PRO 71 2HG PRO 71 -0.081 19.391 -20.145 533 1HD PRO 71 1HD PRO 71 1.688 19.053 -17.912 534 2HD PRO 71 2HD PRO 71 -0.044 19.317 -17.847 535 H ARG 72 H ARG 72 1.476 14.720 -17.285 536 HA ARG 72 HA ARG 72 3.572 13.800 -19.015 537 1HB ARG 72 1HB ARG 72 4.163 15.841 -17.214 538 2HB ARG 72 2HB ARG 72 4.578 14.417 -16.282 539 1HG ARG 72 1HG ARG 72 6.471 14.097 -17.491 540 2HG ARG 72 2HG ARG 72 5.570 14.094 -18.995 541 1HD ARG 72 1HD ARG 72 5.535 16.791 -18.358 542 2HD ARG 72 2HD ARG 72 7.087 16.309 -17.703 543 HE ARG 72 HE ARG 72 6.455 16.589 -20.486 544 1HH1 ARG 72 2HH2 ARG 72 8.230 14.471 -18.308 545 2HH1 ARG 72 1HH2 ARG 72 9.359 13.960 -19.518 546 1HH2 ARG 72 2HH1 ARG 72 7.943 15.915 -22.084 547 2HH2 ARG 72 1HH1 ARG 72 9.194 14.786 -21.682 548 H ALA 73 H ALA 73 2.268 13.790 -15.617 549 HA ALA 73 HA ALA 73 3.125 11.383 -14.749 550 1HB ALA 73 1HB ALA 73 0.534 11.464 -13.804 551 2HB ALA 73 2HB ALA 73 1.908 12.352 -13.102 552 3HB ALA 73 3HB ALA 73 0.820 13.162 -14.253 553 H VAL 74 H VAL 74 2.098 9.222 -14.640 554 HA VAL 74 HA VAL 74 0.409 8.687 -16.978 555 HB VAL 74 HB VAL 74 2.570 8.054 -17.673 556 1HG1 VAL 74 1HG1 VAL 74 2.984 6.432 -15.149 557 2HG1 VAL 74 2HG1 VAL 74 4.174 6.843 -16.406 558 3HG1 VAL 74 3HG1 VAL 74 3.546 8.111 -15.326 559 1HG2 VAL 74 1HG2 VAL 74 2.116 5.932 -18.353 560 2HG2 VAL 74 2HG2 VAL 74 1.759 5.361 -16.706 561 3HG2 VAL 74 3HG2 VAL 74 0.536 6.283 -17.612 562 H ASN 75 H ASN 75 -1.017 9.109 -14.860 563 HA ASN 75 HA ASN 75 -1.167 7.539 -12.759 564 1HB ASN 75 1HB ASN 75 -3.672 7.761 -12.887 565 2HB ASN 75 2HB ASN 75 -2.858 9.268 -13.261 566 1HD2 ASN 75 1HD2 ASN 75 -5.508 8.288 -14.005 567 2HD2 ASN 75 2HD2 ASN 75 -5.608 8.332 -15.734 568 H ALA 76 H ALA 76 -0.558 5.328 -12.895 569 HA ALA 76 HA ALA 76 -1.772 3.690 -14.964 570 1HB ALA 76 1HB ALA 76 0.277 2.771 -14.846 571 2HB ALA 76 2HB ALA 76 0.662 3.690 -13.370 572 3HB ALA 76 3HB ALA 76 -0.172 2.122 -13.251 573 H CYS 77 H CYS 77 -2.380 4.732 -11.742 574 HA CYS 77 HA CYS 77 -3.720 2.281 -11.000 575 1HB CYS 77 1HB CYS 77 -2.353 3.753 -9.422 576 2HB CYS 77 2HB CYS 77 -3.694 4.880 -9.468 577 H GLY 78 H GLY 78 -4.329 5.571 -12.237 578 1HA GLY 78 1HA GLY 78 -6.168 6.441 -13.215 579 2HA GLY 78 2HA GLY 78 -6.950 4.876 -13.109 580 H ILE 79 H ILE 79 -5.690 7.280 -10.679 581 HA ILE 79 HA ILE 79 -8.374 7.650 -9.684 582 HB ILE 79 HB ILE 79 -8.162 6.716 -7.623 583 1HG1 ILE 79 1HG1 ILE 79 -6.033 7.938 -7.105 584 2HG1 ILE 79 2HG1 ILE 79 -6.171 6.348 -6.383 585 1HG2 ILE 79 1HG2 ILE 79 -8.224 4.900 -9.196 586 2HG2 ILE 79 2HG2 ILE 79 -6.457 4.960 -9.408 587 3HG2 ILE 79 3HG2 ILE 79 -7.149 4.452 -7.848 588 1HD1 ILE 79 1HD1 ILE 79 -4.863 6.539 -9.090 589 2HD1 ILE 79 2HD1 ILE 79 -3.948 7.100 -7.671 590 3HD1 ILE 79 3HD1 ILE 79 -4.528 5.420 -7.747 591 H ASN 80 H ASN 80 -8.495 9.485 -8.168 592 HA ASN 80 HA ASN 80 -6.740 11.504 -9.007 593 1HB ASN 80 1HB ASN 80 -9.251 11.301 -7.629 594 2HB ASN 80 2HB ASN 80 -8.187 12.202 -6.566 595 1HD2 ASN 80 1HD2 ASN 80 -10.537 12.850 -8.383 596 2HD2 ASN 80 2HD2 ASN 80 -10.038 14.233 -9.298 597 H CYS 81 H CYS 81 -4.806 12.171 -8.026 598 HA CYS 81 HA CYS 81 -3.505 10.683 -6.182 599 1HB CYS 81 1HB CYS 81 -3.229 13.666 -6.609 600 2HB CYS 81 2HB CYS 81 -2.055 12.637 -5.810 601 H SER 82 H SER 82 -5.845 13.369 -5.718 602 HA SER 82 HA SER 82 -5.419 13.830 -3.055 603 1HB SER 82 1HB SER 82 -7.845 14.604 -3.062 604 2HB SER 82 2HB SER 82 -6.830 15.318 -4.298 605 HG SER 82 HG SER 82 -8.637 13.082 -4.671 606 H ALA 83 H ALA 83 -7.191 11.222 -4.732 607 HA ALA 83 HA ALA 83 -8.685 10.270 -2.593 608 1HB ALA 83 1HB ALA 83 -9.041 8.381 -3.957 609 2HB ALA 83 2HB ALA 83 -8.702 9.680 -5.126 610 3HB ALA 83 3HB ALA 83 -7.432 8.504 -4.709 611 H LEU 84 H LEU 84 -5.236 10.188 -3.261 612 HA LEU 84 HA LEU 84 -4.852 8.092 -1.269 613 1HB LEU 84 1HB LEU 84 -2.855 9.456 -3.078 614 2HB LEU 84 2HB LEU 84 -2.540 8.090 -2.026 615 HG LEU 84 HG LEU 84 -4.749 7.549 -3.854 616 1HD1 LEU 84 1HD1 LEU 84 -3.921 8.007 -5.883 617 2HD1 LEU 84 2HD1 LEU 84 -2.892 9.182 -5.029 618 3HD1 LEU 84 3HD1 LEU 84 -2.261 7.564 -5.417 619 1HD2 LEU 84 1HD2 LEU 84 -2.251 6.245 -2.887 620 2HD2 LEU 84 2HD2 LEU 84 -3.923 5.638 -2.938 621 3HD2 LEU 84 3HD2 LEU 84 -2.943 5.677 -4.424 622 H LEU 85 H LEU 85 -5.661 11.187 -1.062 623 HA LEU 85 HA LEU 85 -3.716 11.709 1.079 624 1HB LEU 85 1HB LEU 85 -4.178 13.213 -1.247 625 2HB LEU 85 2HB LEU 85 -4.970 14.095 0.043 626 HG LEU 85 HG LEU 85 -2.302 13.205 0.823 627 1HD1 LEU 85 1HD1 LEU 85 -1.047 14.734 -0.644 628 2HD1 LEU 85 2HD1 LEU 85 -1.797 13.395 -1.543 629 3HD1 LEU 85 3HD1 LEU 85 -2.524 15.018 -1.595 630 1HD2 LEU 85 1HD2 LEU 85 -3.827 14.947 1.894 631 2HD2 LEU 85 2HD2 LEU 85 -2.110 15.377 1.698 632 3HD2 LEU 85 3HD2 LEU 85 -3.326 16.033 0.575 633 H GLN 86 H GLN 86 -6.378 10.241 0.975 634 HA GLN 86 HA GLN 86 -8.015 12.085 2.483 635 1HB GLN 86 1HB GLN 86 -8.668 9.220 1.684 636 2HB GLN 86 2HB GLN 86 -9.795 10.448 2.224 637 1HG GLN 86 1HG GLN 86 -8.518 11.695 0.069 638 2HG GLN 86 2HG GLN 86 -8.619 10.027 -0.458 639 1HE2 GLN 86 1HE2 GLN 86 -10.261 12.952 0.051 640 2HE2 GLN 86 2HE2 GLN 86 -11.873 12.454 -0.342 641 H ASP 87 H ASP 87 -9.380 10.177 4.144 642 HA ASP 87 HA ASP 87 -7.330 9.875 6.131 643 1HB ASP 87 1HB ASP 87 -9.747 8.859 7.160 644 2HB ASP 87 2HB ASP 87 -9.091 10.461 7.434 645 H ASP 88 H ASP 88 -10.203 7.824 5.215 646 HA ASP 88 HA ASP 88 -9.209 5.479 6.127 647 1HB ASP 88 1HB ASP 88 -11.210 6.274 4.032 648 2HB ASP 88 2HB ASP 88 -10.698 4.598 4.019 649 H ILE 89 H ILE 89 -8.055 3.692 5.097 650 HA ILE 89 HA ILE 89 -6.278 4.565 2.997 651 HB ILE 89 HB ILE 89 -5.114 2.481 3.439 652 1HG1 ILE 89 1HG1 ILE 89 -6.948 1.790 5.700 653 2HG1 ILE 89 2HG1 ILE 89 -7.437 1.348 4.077 654 1HG2 ILE 89 1HG2 ILE 89 -4.068 3.622 5.024 655 2HG2 ILE 89 2HG2 ILE 89 -5.516 4.624 5.280 656 3HG2 ILE 89 3HG2 ILE 89 -5.301 3.117 6.204 657 1HD1 ILE 89 1HD1 ILE 89 -4.846 0.563 5.481 658 2HD1 ILE 89 2HD1 ILE 89 -6.181 -0.512 5.001 659 3HD1 ILE 89 3HD1 ILE 89 -5.164 0.254 3.757 660 H THR 90 H THR 90 -9.397 3.676 2.920 661 HA THR 90 HA THR 90 -9.726 1.479 1.366 662 HB THR 90 HB THR 90 -11.506 3.012 2.293 663 HG1 THR 90 1HG THR 90 -12.666 2.040 0.678 664 1HG2 THR 90 1HG2 THR 90 -10.415 5.172 1.381 665 2HG2 THR 90 2HG2 THR 90 -10.979 4.660 -0.227 666 3HG2 THR 90 3HG2 THR 90 -12.158 4.998 1.063 667 H ALA 91 H ALA 91 -8.396 4.640 0.363 668 HA ALA 91 HA ALA 91 -8.436 3.961 -2.406 669 1HB ALA 91 1HB ALA 91 -7.576 6.095 -2.712 670 2HB ALA 91 2HB ALA 91 -8.375 6.286 -1.134 671 3HB ALA 91 3HB ALA 91 -6.615 6.040 -1.216 672 H ALA 92 H ALA 92 -6.079 3.791 0.306 673 HA ALA 92 HA ALA 92 -3.854 3.133 -1.256 674 1HB ALA 92 1HB ALA 92 -3.018 3.523 0.796 675 2HB ALA 92 2HB ALA 92 -4.615 3.308 1.549 676 3HB ALA 92 3HB ALA 92 -3.572 1.896 1.257 677 H ILE 93 H ILE 93 -6.528 1.203 0.160 678 HA ILE 93 HA ILE 93 -5.307 -1.286 -0.508 679 HB ILE 93 HB ILE 93 -8.184 -0.690 0.180 680 1HG1 ILE 93 1HG1 ILE 93 -5.789 -1.121 1.980 681 2HG1 ILE 93 2HG1 ILE 93 -6.839 0.280 1.912 682 1HG2 ILE 93 1HG2 ILE 93 -7.137 -3.199 1.141 683 2HG2 ILE 93 2HG2 ILE 93 -8.534 -2.878 0.088 684 3HG2 ILE 93 3HG2 ILE 93 -6.912 -3.067 -0.619 685 1HD1 ILE 93 1HD1 ILE 93 -7.294 -2.373 3.198 686 2HD1 ILE 93 2HD1 ILE 93 -7.883 -0.762 3.672 687 3HD1 ILE 93 3HD1 ILE 93 -8.706 -1.664 2.377 688 H GLN 94 H GLN 94 -8.025 0.696 -1.867 689 HA GLN 94 HA GLN 94 -8.622 -1.000 -3.929 690 1HB GLN 94 1HB GLN 94 -9.836 1.136 -3.109 691 2HB GLN 94 2HB GLN 94 -8.742 2.032 -4.145 692 1HG GLN 94 1HG GLN 94 -9.503 0.367 -6.030 693 2HG GLN 94 2HG GLN 94 -10.827 -0.027 -4.952 694 1HE2 GLN 94 1HE2 GLN 94 -10.906 1.228 -7.546 695 2HE2 GLN 94 2HE2 GLN 94 -11.658 2.778 -7.370 696 H CYS 95 H CYS 95 -6.187 1.662 -3.741 697 HA CYS 95 HA CYS 95 -5.424 1.429 -6.444 698 1HB CYS 95 1HB CYS 95 -5.093 3.375 -4.751 699 2HB CYS 95 2HB CYS 95 -3.643 2.513 -4.279 700 H ALA 96 H ALA 96 -4.136 0.203 -3.283 701 HA ALA 96 HA ALA 96 -1.851 -1.006 -4.137 702 1HB ALA 96 1HB ALA 96 -3.895 -1.688 -2.009 703 2HB ALA 96 2HB ALA 96 -2.428 -2.673 -2.230 704 3HB ALA 96 3HB ALA 96 -2.287 -0.947 -1.820 705 H LYS 97 H LYS 97 -5.238 -2.266 -4.261 706 HA LYS 97 HA LYS 97 -4.420 -4.738 -5.412 707 1HB LYS 97 1HB LYS 97 -6.807 -5.164 -5.621 708 2HB LYS 97 2HB LYS 97 -6.425 -4.549 -4.026 709 1HG LYS 97 1HG LYS 97 -7.271 -2.347 -4.557 710 2HG LYS 97 2HG LYS 97 -7.331 -2.702 -6.273 711 1HD LYS 97 1HD LYS 97 -9.008 -4.612 -5.602 712 2HD LYS 97 2HD LYS 97 -9.140 -3.764 -4.074 713 1HE LYS 97 1HE LYS 97 -10.206 -1.916 -5.020 714 2HE LYS 97 2HE LYS 97 -9.408 -2.106 -6.569 715 1HZ LYS 97 1HZ LYS 97 -10.790 -4.016 -6.991 716 2HZ LYS 97 2HZ LYS 97 -11.520 -3.869 -5.539 717 3HZ LYS 97 3HZ LYS 97 -11.722 -2.714 -6.674 718 H ARG 98 H ARG 98 -5.725 -1.608 -6.630 719 HA ARG 98 HA ARG 98 -6.060 -2.456 -9.233 720 1HB ARG 98 1HB ARG 98 -6.941 -0.308 -8.201 721 2HB ARG 98 2HB ARG 98 -5.319 0.352 -8.264 722 1HG ARG 98 1HG ARG 98 -6.169 1.171 -10.275 723 2HG ARG 98 2HG ARG 98 -5.444 -0.323 -10.834 724 1HD ARG 98 1HD ARG 98 -7.471 -1.237 -11.375 725 2HD ARG 98 2HD ARG 98 -8.202 -0.734 -9.863 726 HE ARG 98 HE ARG 98 -8.465 0.609 -12.383 727 1HH1 ARG 98 2HH2 ARG 98 -8.014 1.323 -8.968 728 2HH1 ARG 98 1HH2 ARG 98 -8.780 2.875 -9.059 729 1HH2 ARG 98 2HH1 ARG 98 -9.475 2.655 -12.506 730 2HH2 ARG 98 1HH1 ARG 98 -9.616 3.637 -11.085 731 H VAL 99 H VAL 99 -3.197 -1.712 -7.359 732 HA VAL 99 HA VAL 99 -1.575 -1.212 -9.708 733 HB VAL 99 HB VAL 99 -1.066 -1.263 -6.735 734 1HG1 VAL 99 1HG1 VAL 99 1.243 -0.555 -7.207 735 2HG1 VAL 99 2HG1 VAL 99 0.915 -2.182 -7.849 736 3HG1 VAL 99 3HG1 VAL 99 0.959 -0.784 -8.950 737 1HG2 VAL 99 1HG2 VAL 99 -0.541 1.070 -8.547 738 2HG2 VAL 99 2HG2 VAL 99 -2.218 0.692 -8.084 739 3HG2 VAL 99 3HG2 VAL 99 -1.006 1.040 -6.829 740 H VAL 100 H VAL 100 -1.646 -3.585 -6.950 741 HA VAL 100 HA VAL 100 0.226 -5.311 -8.058 742 HB VAL 100 HB VAL 100 -2.052 -5.732 -6.121 743 1HG1 VAL 100 1HG1 VAL 100 -1.244 -7.840 -7.346 744 2HG1 VAL 100 2HG1 VAL 100 0.290 -7.613 -6.472 745 3HG1 VAL 100 3HG1 VAL 100 -1.223 -7.868 -5.567 746 1HG2 VAL 100 1HG2 VAL 100 0.665 -4.659 -5.931 747 2HG2 VAL 100 2HG2 VAL 100 -0.696 -4.544 -4.790 748 3HG2 VAL 100 3HG2 VAL 100 0.359 -5.978 -4.776 749 H ARG 101 H ARG 101 -3.149 -4.707 -8.833 750 HA ARG 101 HA ARG 101 -3.829 -7.141 -9.875 751 1HB ARG 101 1HB ARG 101 -4.761 -4.342 -10.093 752 2HB ARG 101 2HB ARG 101 -5.080 -5.257 -11.553 753 1HG ARG 101 1HG ARG 101 -6.009 -7.109 -9.938 754 2HG ARG 101 2HG ARG 101 -6.036 -5.841 -8.729 755 1HD ARG 101 1HD ARG 101 -8.030 -5.147 -9.563 756 2HD ARG 101 2HD ARG 101 -7.214 -4.676 -11.041 757 HE ARG 101 HE ARG 101 -7.797 -7.543 -10.929 758 1HH1 ARG 101 2HH2 ARG 101 -9.088 -4.380 -11.773 759 2HH1 ARG 101 1HH2 ARG 101 -10.257 -5.013 -12.884 760 1HH2 ARG 101 2HH1 ARG 101 -9.338 -8.377 -12.394 761 2HH2 ARG 101 1HH1 ARG 101 -10.400 -7.301 -13.240 762 H ASP 102 H ASP 102 -1.445 -4.869 -10.934 763 HA ASP 102 HA ASP 102 -1.635 -5.508 -13.695 764 1HB ASP 102 1HB ASP 102 -0.268 -3.598 -12.038 765 2HB ASP 102 2HB ASP 102 0.965 -4.465 -12.933 766 HA PRO 103 HA PRO 103 1.361 -8.729 -13.718 767 1HB PRO 103 1HB PRO 103 3.193 -8.121 -15.653 768 2HB PRO 103 2HB PRO 103 1.600 -8.758 -16.007 769 1HG PRO 103 1HG PRO 103 2.603 -5.994 -16.317 770 2HG PRO 103 2HG PRO 103 1.192 -6.738 -17.044 771 1HD PRO 103 1HD PRO 103 1.222 -4.914 -14.831 772 2HD PRO 103 2HD PRO 103 -0.175 -5.747 -15.483 773 H GLN 104 H GLN 104 2.173 -5.876 -12.439 774 HA GLN 104 HA GLN 104 4.931 -6.270 -12.110 775 1HB GLN 104 1HB GLN 104 3.008 -4.608 -10.423 776 2HB GLN 104 2HB GLN 104 4.753 -4.443 -10.446 777 1HG GLN 104 1HG GLN 104 3.485 -4.318 -13.138 778 2HG GLN 104 2HG GLN 104 3.009 -3.020 -12.061 779 1HE2 GLN 104 1HE2 GLN 104 4.127 -1.292 -12.531 780 2HE2 GLN 104 2HE2 GLN 104 5.836 -1.185 -12.789 781 H GLY 105 H GLY 105 2.185 -6.522 -9.727 782 1HA GLY 105 1HA GLY 105 1.831 -8.106 -8.131 783 2HA GLY 105 2HA GLY 105 3.287 -8.947 -8.623 784 H ILE 106 H ILE 106 2.558 -8.519 -5.882 785 HA ILE 106 HA ILE 106 3.512 -6.339 -4.611 786 HB ILE 106 HB ILE 106 3.359 -9.234 -3.959 787 1HG1 ILE 106 1HG1 ILE 106 1.442 -7.574 -3.837 788 2HG1 ILE 106 2HG1 ILE 106 1.727 -8.552 -2.411 789 1HG2 ILE 106 1HG2 ILE 106 4.161 -8.491 -1.579 790 2HG2 ILE 106 2HG2 ILE 106 5.341 -8.980 -2.819 791 3HG2 ILE 106 3HG2 ILE 106 5.062 -7.254 -2.489 792 1HD1 ILE 106 1HD1 ILE 106 2.498 -5.640 -2.848 793 2HD1 ILE 106 2HD1 ILE 106 1.405 -6.313 -1.614 794 3HD1 ILE 106 3HD1 ILE 106 3.156 -6.610 -1.509 795 H ARG 107 H ARG 107 5.342 -8.743 -6.429 796 HA ARG 107 HA ARG 107 7.761 -8.721 -5.424 797 1HB ARG 107 1HB ARG 107 6.840 -9.540 -7.764 798 2HB ARG 107 2HB ARG 107 7.453 -8.012 -8.366 799 1HG ARG 107 1HG ARG 107 9.717 -8.548 -7.746 800 2HG ARG 107 2HG ARG 107 9.209 -9.875 -6.719 801 1HD ARG 107 1HD ARG 107 8.530 -9.954 -9.673 802 2HD ARG 107 2HD ARG 107 10.156 -10.355 -9.160 803 HE ARG 107 HE ARG 107 8.497 -11.839 -7.464 804 1HH1 ARG 107 2HH2 ARG 107 8.968 -11.591 -10.942 805 2HH1 ARG 107 1HH2 ARG 107 8.501 -13.230 -11.251 806 1HH2 ARG 107 2HH1 ARG 107 7.881 -14.002 -7.871 807 2HH2 ARG 107 1HH1 ARG 107 7.878 -14.610 -9.493 808 H ALA 108 H ALA 108 6.194 -5.966 -7.124 809 HA ALA 108 HA ALA 108 8.223 -4.285 -7.623 810 1HB ALA 108 1HB ALA 108 6.606 -2.638 -7.686 811 2HB ALA 108 2HB ALA 108 5.558 -4.078 -7.666 812 3HB ALA 108 3HB ALA 108 5.850 -3.167 -6.165 813 H TRP 109 H TRP 109 6.877 -5.147 -4.410 814 HA TRP 109 HA TRP 109 8.744 -3.305 -3.141 815 1HB TRP 109 1HB TRP 109 6.519 -5.021 -2.022 816 2HB TRP 109 2HB TRP 109 7.561 -3.987 -1.064 817 HD1 TRP 109 HD TRP 109 7.234 -1.257 -1.453 818 HE1 TRP 109 1HE TRP 109 5.192 0.222 -2.230 819 HE3 TRP 109 3HE TRP 109 4.589 -5.071 -3.529 820 HZ2 TRP 109 2HZ TRP 109 2.754 -0.357 -3.597 821 HZ3 TRP 109 3HZ TRP 109 2.387 -4.528 -4.565 822 HH2 TRP 109 HH TRP 109 1.462 -2.266 -4.618 823 H VAL 110 H VAL 110 10.404 -4.874 -4.343 824 HA VAL 110 HA VAL 110 10.847 -7.445 -3.671 825 HB VAL 110 HB VAL 110 12.143 -6.077 -5.254 826 1HG1 VAL 110 1HG1 VAL 110 13.441 -4.320 -4.691 827 2HG1 VAL 110 2HG1 VAL 110 12.466 -4.300 -3.202 828 3HG1 VAL 110 3HG1 VAL 110 14.050 -5.110 -3.217 829 1HG2 VAL 110 1HG2 VAL 110 14.486 -6.982 -4.385 830 2HG2 VAL 110 2HG2 VAL 110 13.449 -7.835 -3.215 831 3HG2 VAL 110 3HG2 VAL 110 13.213 -8.085 -4.961 832 H ALA 111 H ALA 111 11.089 -4.601 -1.589 833 HA ALA 111 HA ALA 111 12.784 -5.433 0.368 834 1HB ALA 111 1HB ALA 111 10.672 -3.508 0.016 835 2HB ALA 111 2HB ALA 111 10.517 -4.242 1.630 836 3HB ALA 111 3HB ALA 111 12.044 -3.462 1.149 837 H TRP 112 H TRP 112 9.284 -6.272 -0.044 838 HA TRP 112 HA TRP 112 9.089 -7.811 2.278 839 1HB TRP 112 1HB TRP 112 6.998 -7.549 1.599 840 2HB TRP 112 2HB TRP 112 7.484 -7.194 -0.047 841 HD1 TRP 112 HD TRP 112 5.861 -9.901 1.982 842 HE1 TRP 112 1HE TRP 112 5.349 -12.070 0.569 843 HE3 TRP 112 3HE TRP 112 8.656 -8.567 -2.050 844 HZ2 TRP 112 2HZ TRP 112 6.153 -12.964 -2.020 845 HZ3 TRP 112 3HZ TRP 112 8.739 -10.145 -3.978 846 HH2 TRP 112 HH TRP 112 7.546 -12.278 -4.007 847 H ARG 113 H ARG 113 10.341 -8.430 -1.010 848 HA ARG 113 HA ARG 113 10.353 -11.193 -0.834 849 1HB ARG 113 1HB ARG 113 10.751 -9.617 -2.885 850 2HB ARG 113 2HB ARG 113 12.422 -9.554 -2.361 851 1HG ARG 113 1HG ARG 113 11.305 -12.308 -2.476 852 2HG ARG 113 2HG ARG 113 11.347 -11.496 -4.029 853 1HD ARG 113 1HD ARG 113 13.815 -11.277 -2.322 854 2HD ARG 113 2HD ARG 113 13.481 -12.844 -3.030 855 HE ARG 113 HE ARG 113 13.159 -10.859 -5.063 856 1HH1 ARG 113 2HH2 ARG 113 15.697 -12.341 -3.129 857 2HH1 ARG 113 1HH2 ARG 113 16.931 -12.083 -4.318 858 1HH2 ARG 113 2HH1 ARG 113 14.785 -10.517 -6.632 859 2HH2 ARG 113 1HH1 ARG 113 16.407 -11.038 -6.324 860 H ALA 114 H ALA 114 12.192 -8.788 0.822 861 HA ALA 114 HA ALA 114 14.142 -10.838 1.618 862 1HB ALA 114 1HB ALA 114 15.905 -9.339 1.434 863 2HB ALA 114 2HB ALA 114 14.892 -8.823 0.065 864 3HB ALA 114 3HB ALA 114 14.852 -7.913 1.595 865 H HIS 115 H HIS 115 11.498 -10.193 2.752 866 HA HIS 115 HA HIS 115 12.434 -9.609 5.414 867 1HB HIS 115 1HB HIS 115 11.334 -7.538 3.890 868 2HB HIS 115 2HB HIS 115 10.007 -8.081 4.897 869 HD1 HIS 115 1HD HIS 115 9.917 -7.070 7.182 870 HD2 HIS 115 2HD HIS 115 13.788 -6.985 5.569 871 HE1 HIS 115 1HE HIS 115 11.362 -5.799 8.857 872 HE2 HIS 115 2HE HIS 115 13.740 -5.827 7.838 873 H CYS 116 H CYS 116 9.676 -10.324 3.192 874 HA CYS 116 HA CYS 116 8.332 -11.729 5.326 875 1HB CYS 116 1HB CYS 116 7.542 -10.427 2.921 876 2HB CYS 116 2HB CYS 116 7.082 -12.112 2.781 877 H GLN 117 H GLN 117 9.620 -12.388 1.982 878 HA GLN 117 HA GLN 117 9.358 -15.173 2.318 879 1HB GLN 117 1HB GLN 117 10.102 -13.306 0.211 880 2HB GLN 117 2HB GLN 117 11.228 -14.648 0.239 881 1HG GLN 117 1HG GLN 117 9.304 -15.163 -1.228 882 2HG GLN 117 2HG GLN 117 9.350 -16.266 0.133 883 1HE2 GLN 117 1HE2 GLN 117 7.176 -15.226 -1.648 884 2HE2 GLN 117 2HE2 GLN 117 5.929 -14.649 -0.593 885 H ASN 118 H ASN 118 10.603 -14.685 4.588 886 HA ASN 118 HA ASN 118 13.242 -15.734 4.097 887 1HB ASN 118 1HB ASN 118 13.078 -13.055 4.560 888 2HB ASN 118 2HB ASN 118 13.035 -13.602 6.224 889 1HD2 ASN 118 1HD2 ASN 118 15.075 -12.099 4.826 890 2HD2 ASN 118 2HD2 ASN 118 16.555 -12.991 4.927 891 H ARG 119 H ARG 119 11.237 -14.312 6.802 892 HA ARG 119 HA ARG 119 11.494 -16.893 8.126 893 1HB ARG 119 1HB ARG 119 12.502 -14.521 9.070 894 2HB ARG 119 2HB ARG 119 10.898 -14.457 9.773 895 1HG ARG 119 1HG ARG 119 11.486 -17.016 10.418 896 2HG ARG 119 2HG ARG 119 13.127 -16.413 10.298 897 1HD ARG 119 1HD ARG 119 12.782 -14.781 12.024 898 2HD ARG 119 2HD ARG 119 11.037 -14.908 11.918 899 HE ARG 119 HE ARG 119 11.126 -16.718 13.387 900 1HH1 ARG 119 2HH2 ARG 119 14.280 -16.344 11.872 901 2HH1 ARG 119 1HH2 ARG 119 15.027 -17.581 12.827 902 1HH2 ARG 119 2HH1 ARG 119 12.111 -18.350 14.647 903 2HH2 ARG 119 1HH1 ARG 119 13.785 -18.730 14.416 904 H ASP 120 H ASP 120 9.631 -16.532 10.204 905 HA ASP 120 HA ASP 120 7.206 -16.561 8.664 906 1HB ASP 120 1HB ASP 120 7.848 -18.324 10.409 907 2HB ASP 120 2HB ASP 120 7.609 -17.101 11.641 908 H LEU 121 H LEU 121 6.552 -14.381 8.327 909 HA LEU 121 HA LEU 121 6.658 -12.568 10.598 910 1HB LEU 121 1HB LEU 121 7.448 -12.055 8.206 911 2HB LEU 121 2HB LEU 121 5.748 -11.923 7.805 912 HG LEU 121 HG LEU 121 7.103 -9.792 8.398 913 1HD1 LEU 121 1HD1 LEU 121 5.116 -8.785 8.516 914 2HD1 LEU 121 2HD1 LEU 121 4.418 -10.420 8.429 915 3HD1 LEU 121 3HD1 LEU 121 4.668 -9.642 10.011 916 1HD2 LEU 121 1HD2 LEU 121 6.385 -10.637 11.212 917 2HD2 LEU 121 2HD2 LEU 121 8.017 -10.783 10.518 918 3HD2 LEU 121 3HD2 LEU 121 7.265 -9.179 10.693 919 H SER 122 H SER 122 4.741 -15.020 10.032 920 HA SER 122 HA SER 122 2.219 -13.778 9.773 921 1HB SER 122 1HB SER 122 3.290 -16.521 10.141 922 2HB SER 122 2HB SER 122 1.724 -16.270 10.887 923 HG SER 122 HG SER 122 2.343 -16.564 8.228 924 H GLN 123 H GLN 123 4.449 -14.500 12.406 925 HA GLN 123 HA GLN 123 2.613 -14.619 14.479 926 1HB GLN 123 1HB GLN 123 4.974 -15.337 14.678 927 2HB GLN 123 2HB GLN 123 5.516 -13.682 14.484 928 1HG GLN 123 1HG GLN 123 3.508 -13.851 16.607 929 2HG GLN 123 2HG GLN 123 4.809 -14.983 16.910 930 1HE2 GLN 123 1HE2 GLN 123 4.411 -12.907 18.591 931 2HE2 GLN 123 2HE2 GLN 123 5.680 -11.735 18.470 932 H TYR 124 H TYR 124 3.517 -12.016 12.418 933 HA TYR 124 HA TYR 124 3.153 -9.922 14.346 934 1HB TYR 124 1HB TYR 124 4.329 -10.300 11.835 935 2HB TYR 124 2HB TYR 124 2.832 -9.513 11.375 936 HD1 TYR 124 1HD TYR 124 5.622 -9.091 13.855 937 HD2 TYR 124 2HD TYR 124 2.809 -7.194 11.248 938 HE1 TYR 124 1HE TYR 124 6.639 -6.824 14.396 939 HE2 TYR 124 2HE TYR 124 3.835 -4.934 11.797 940 HH TYR 124 HH TYR 124 6.405 -4.661 14.215 941 H ILE 125 H ILE 125 1.200 -11.586 11.827 942 HA ILE 125 HA ILE 125 -1.011 -9.776 12.348 943 HB ILE 125 HB ILE 125 -2.085 -10.887 10.490 944 1HG1 ILE 125 1HG1 ILE 125 0.080 -12.524 9.519 945 2HG1 ILE 125 2HG1 ILE 125 -0.361 -13.044 11.132 946 1HG2 ILE 125 1HG2 ILE 125 -0.122 -9.121 10.295 947 2HG2 ILE 125 2HG2 ILE 125 0.690 -10.470 9.465 948 3HG2 ILE 125 3HG2 ILE 125 -0.868 -9.857 8.856 949 1HD1 ILE 125 1HD1 ILE 125 -2.446 -13.765 10.485 950 2HD1 ILE 125 2HD1 ILE 125 -2.659 -12.430 9.327 951 3HD1 ILE 125 3HD1 ILE 125 -1.678 -13.847 8.881 952 H ARG 126 H ARG 126 0.126 -13.082 13.019 953 HA ARG 126 HA ARG 126 -2.402 -13.915 13.971 954 1HB ARG 126 1HB ARG 126 -0.667 -15.489 13.050 955 2HB ARG 126 2HB ARG 126 0.376 -15.126 14.410 956 1HG ARG 126 1HG ARG 126 -0.841 -17.227 14.827 957 2HG ARG 126 2HG ARG 126 -1.341 -16.010 15.985 958 1HD ARG 126 1HD ARG 126 -3.403 -15.568 14.750 959 2HD ARG 126 2HD ARG 126 -2.871 -16.547 13.397 960 HE ARG 126 HE ARG 126 -4.078 -17.515 15.852 961 1HH1 ARG 126 2HH2 ARG 126 -1.783 -18.374 13.326 962 2HH1 ARG 126 1HH2 ARG 126 -1.989 -20.081 13.542 963 1HH2 ARG 126 2HH1 ARG 126 -4.350 -19.767 16.137 964 2HH2 ARG 126 1HH1 ARG 126 -3.459 -20.877 15.152 965 H ASN 127 H ASN 127 -3.220 -12.893 15.795 966 HA ASN 127 HA ASN 127 -2.352 -13.378 18.257 967 1HB ASN 127 1HB ASN 127 -0.570 -11.443 17.041 968 2HB ASN 127 2HB ASN 127 -1.478 -10.616 18.292 969 1HD2 ASN 127 1HD2 ASN 127 -1.643 -11.724 20.409 970 2HD2 ASN 127 2HD2 ASN 127 -0.258 -12.563 21.020 971 H CYS 128 H CYS 128 -3.685 -11.107 15.886 972 HA CYS 128 HA CYS 128 -5.177 -9.567 17.743 973 1HB CYS 128 1HB CYS 128 -4.446 -9.273 15.120 974 2HB CYS 128 2HB CYS 128 -6.142 -9.684 14.963 975 H GLY 129 H GLY 129 -5.485 -12.678 16.130 976 1HA GLY 129 1HA GLY 129 -7.029 -14.260 17.010 977 2HA GLY 129 2HA GLY 129 -8.185 -12.972 17.281 978 H VAL 130 H VAL 130 -6.181 -13.260 14.320 979 HA VAL 130 HA VAL 130 -8.636 -13.410 12.779 980 HB VAL 130 HB VAL 130 -5.764 -12.743 12.236 981 1HG1 VAL 130 1HG1 VAL 130 -6.546 -12.506 9.774 982 2HG1 VAL 130 2HG1 VAL 130 -6.097 -14.120 10.377 983 3HG1 VAL 130 3HG1 VAL 130 -7.813 -13.672 10.226 984 1HG2 VAL 130 1HG2 VAL 130 -6.527 -10.645 12.166 985 2HG2 VAL 130 2HG2 VAL 130 -7.791 -11.082 10.991 986 3HG2 VAL 130 3HG2 VAL 130 -8.096 -11.262 12.735 Start of MODEL 3 1 H LYS 1 H LYS 1 -6.653 9.496 12.054 2 HA LYS 1 HA LYS 1 -6.160 7.960 10.205 3 1HB LYS 1 1HB LYS 1 -5.015 9.546 8.855 4 2HB LYS 1 2HB LYS 1 -6.005 10.454 9.980 5 1HG LYS 1 1HG LYS 1 -3.351 9.904 11.113 6 2HG LYS 1 2HG LYS 1 -3.219 10.728 9.573 7 1HD LYS 1 1HD LYS 1 -4.126 12.679 10.383 8 2HD LYS 1 2HD LYS 1 -5.327 11.844 11.346 9 1HE LYS 1 1HE LYS 1 -4.022 11.886 13.226 10 2HE LYS 1 2HE LYS 1 -2.583 11.401 12.350 11 1HZ LYS 1 1HZ LYS 1 -3.159 13.944 11.514 12 2HZ LYS 1 2HZ LYS 1 -3.367 13.973 13.134 13 3HZ LYS 1 3HZ LYS 1 -1.942 13.486 12.501 14 H VAL 2 H VAL 2 -5.095 6.457 12.253 15 HA VAL 2 HA VAL 2 -2.393 5.935 11.225 16 HB VAL 2 HB VAL 2 -3.357 6.411 13.959 17 1HG1 VAL 2 1HG1 VAL 2 -1.483 4.746 14.772 18 2HG1 VAL 2 2HG1 VAL 2 -3.142 4.173 14.479 19 3HG1 VAL 2 3HG1 VAL 2 -1.876 3.896 13.259 20 1HG2 VAL 2 1HG2 VAL 2 -1.308 7.411 14.234 21 2HG2 VAL 2 2HG2 VAL 2 -0.471 6.245 13.179 22 3HG2 VAL 2 3HG2 VAL 2 -1.470 7.534 12.465 23 H TYR 3 H TYR 3 -1.868 3.753 10.864 24 HA TYR 3 HA TYR 3 -3.960 1.806 11.491 25 1HB TYR 3 1HB TYR 3 -3.068 2.937 8.889 26 2HB TYR 3 2HB TYR 3 -2.852 1.198 8.923 27 HD1 TYR 3 1HD TYR 3 -4.671 -0.237 8.512 28 HD2 TYR 3 2HD TYR 3 -5.413 3.861 9.492 29 HE1 TYR 3 1HE TYR 3 -7.135 -0.546 7.969 30 HE2 TYR 3 2HE TYR 3 -7.874 3.538 8.945 31 HH TYR 3 HH TYR 3 -9.434 1.191 8.988 32 H GLU 4 H GLU 4 -2.999 0.223 12.658 33 HA GLU 4 HA GLU 4 -0.178 -0.235 12.145 34 1HB GLU 4 1HB GLU 4 -0.105 -1.276 14.351 35 2HB GLU 4 2HB GLU 4 -0.886 0.288 14.484 36 1HG GLU 4 1HG GLU 4 -3.135 -0.978 14.216 37 2HG GLU 4 2HG GLU 4 -2.218 -2.452 14.458 38 H ARG 5 H ARG 5 0.504 -2.669 12.485 39 HA ARG 5 HA ARG 5 -0.342 -4.123 10.450 40 1HB ARG 5 1HB ARG 5 0.377 -6.180 11.846 41 2HB ARG 5 2HB ARG 5 1.558 -4.895 11.693 42 1HG ARG 5 1HG ARG 5 0.313 -4.016 13.935 43 2HG ARG 5 2HG ARG 5 -0.052 -5.722 14.096 44 1HD ARG 5 1HD ARG 5 2.083 -6.201 14.726 45 2HD ARG 5 2HD ARG 5 2.746 -5.379 13.327 46 HE ARG 5 HE ARG 5 3.256 -3.587 14.720 47 1HH1 ARG 5 2HH2 ARG 5 0.527 -5.322 16.107 48 2HH1 ARG 5 1HH2 ARG 5 0.436 -4.314 17.512 49 1HH2 ARG 5 2HH1 ARG 5 3.137 -2.256 16.575 50 2HH2 ARG 5 1HH1 ARG 5 1.930 -2.558 17.780 51 H CYS 6 H CYS 6 -1.618 -4.433 13.848 52 HA CYS 6 HA CYS 6 -3.477 -6.379 13.375 53 1HB CYS 6 1HB CYS 6 -2.966 -4.374 15.424 54 2HB CYS 6 2HB CYS 6 -4.679 -4.693 15.240 55 H GLU 7 H GLU 7 -4.347 -2.872 13.809 56 HA GLU 7 HA GLU 7 -6.794 -2.872 12.861 57 1HB GLU 7 1HB GLU 7 -4.588 -0.907 12.871 58 2HB GLU 7 2HB GLU 7 -5.796 -0.566 11.649 59 1HG GLU 7 1HG GLU 7 -6.385 0.541 13.782 60 2HG GLU 7 2HG GLU 7 -7.594 -0.654 13.355 61 H PHE 8 H PHE 8 -3.991 -2.171 10.639 62 HA PHE 8 HA PHE 8 -5.303 -2.190 8.288 63 1HB PHE 8 1HB PHE 8 -2.676 -2.237 9.241 64 2HB PHE 8 2HB PHE 8 -2.751 -3.778 8.410 65 HD1 PHE 8 1HD PHE 8 -4.482 -3.125 6.107 66 HD2 PHE 8 2HD PHE 8 -1.341 -0.898 7.891 67 HE1 PHE 8 1HE PHE 8 -4.060 -1.966 3.921 68 HE2 PHE 8 2HE PHE 8 -0.920 0.261 5.705 69 HZ PHE 8 HZ PHE 8 -2.285 -0.287 3.745 70 H ALA 9 H ALA 9 -4.014 -5.092 10.038 71 HA ALA 9 HA ALA 9 -4.695 -6.960 8.103 72 1HB ALA 9 1HB ALA 9 -4.506 -8.574 9.962 73 2HB ALA 9 2HB ALA 9 -3.195 -7.371 10.022 74 3HB ALA 9 3HB ALA 9 -4.578 -7.236 11.134 75 H ARG 10 H ARG 10 -6.539 -5.865 11.038 76 HA ARG 10 HA ARG 10 -8.703 -7.438 10.711 77 1HB ARG 10 1HB ARG 10 -8.092 -5.609 12.522 78 2HB ARG 10 2HB ARG 10 -9.017 -4.518 11.507 79 1HG ARG 10 1HG ARG 10 -11.018 -5.926 11.707 80 2HG ARG 10 2HG ARG 10 -10.114 -7.173 12.544 81 1HD ARG 10 1HD ARG 10 -11.311 -5.915 14.234 82 2HD ARG 10 2HD ARG 10 -9.617 -5.493 14.390 83 HE ARG 10 HE ARG 10 -10.869 -3.660 12.568 84 1HH1 ARG 10 2HH2 ARG 10 -10.781 -4.456 15.995 85 2HH1 ARG 10 1HH2 ARG 10 -11.180 -2.852 16.508 86 1HH2 ARG 10 2HH1 ARG 10 -11.396 -1.543 13.245 87 2HH2 ARG 10 1HH1 ARG 10 -11.533 -1.183 14.934 88 H THR 11 H THR 11 -8.265 -4.051 9.433 89 HA THR 11 HA THR 11 -10.652 -3.871 8.054 90 HB THR 11 HB THR 11 -7.872 -2.673 7.629 91 HG1 THR 11 1HG THR 11 -8.773 -1.614 9.357 92 1HG2 THR 11 1HG2 THR 11 -9.400 -0.827 6.499 93 2HG2 THR 11 2HG2 THR 11 -8.854 -2.207 5.516 94 3HG2 THR 11 3HG2 THR 11 -10.502 -2.188 6.185 95 H LEU 12 H LEU 12 -7.438 -4.927 6.737 96 HA LEU 12 HA LEU 12 -8.220 -5.480 4.202 97 1HB LEU 12 1HB LEU 12 -5.998 -5.931 5.807 98 2HB LEU 12 2HB LEU 12 -6.460 -7.535 5.274 99 HG LEU 12 HG LEU 12 -6.541 -6.431 2.893 100 1HD1 LEU 12 1HD1 LEU 12 -5.610 -4.420 2.556 101 2HD1 LEU 12 2HD1 LEU 12 -5.928 -4.166 4.289 102 3HD1 LEU 12 3HD1 LEU 12 -4.319 -4.700 3.749 103 1HD2 LEU 12 1HD2 LEU 12 -4.334 -7.186 2.470 104 2HD2 LEU 12 2HD2 LEU 12 -3.835 -6.906 4.157 105 3HD2 LEU 12 3HD2 LEU 12 -4.982 -8.213 3.773 106 H LYS 13 H LYS 13 -8.382 -7.745 7.036 107 HA LYS 13 HA LYS 13 -9.662 -9.774 5.571 108 1HB LYS 13 1HB LYS 13 -8.356 -9.895 7.791 109 2HB LYS 13 2HB LYS 13 -9.847 -9.391 8.560 110 1HG LYS 13 1HG LYS 13 -10.990 -11.363 7.972 111 2HG LYS 13 2HG LYS 13 -9.964 -11.673 6.584 112 1HD LYS 13 1HD LYS 13 -8.399 -11.672 9.068 113 2HD LYS 13 2HD LYS 13 -9.722 -12.817 9.162 114 1HE LYS 13 1HE LYS 13 -7.755 -12.686 6.827 115 2HE LYS 13 2HE LYS 13 -7.578 -13.774 8.188 116 1HZ LYS 13 1HZ LYS 13 -9.102 -15.104 7.339 117 2HZ LYS 13 2HZ LYS 13 -10.174 -13.901 7.075 118 3HZ LYS 13 3HZ LYS 13 -9.031 -14.238 5.957 119 H ARG 14 H ARG 14 -10.767 -6.798 7.108 120 HA ARG 14 HA ARG 14 -13.456 -7.638 7.265 121 1HB ARG 14 1HB ARG 14 -12.390 -5.809 8.680 122 2HB ARG 14 2HB ARG 14 -12.328 -4.793 7.253 123 1HG ARG 14 1HG ARG 14 -15.011 -5.920 7.595 124 2HG ARG 14 2HG ARG 14 -14.505 -5.088 9.052 125 1HD ARG 14 1HD ARG 14 -14.397 -3.006 8.004 126 2HD ARG 14 2HD ARG 14 -13.960 -3.685 6.448 127 HE ARG 14 HE ARG 14 -16.681 -4.369 7.337 128 1HH1 ARG 14 2HH2 ARG 14 -14.686 -2.090 5.544 129 2HH1 ARG 14 1HH2 ARG 14 -16.004 -1.487 4.596 130 1HH2 ARG 14 2HH1 ARG 14 -18.419 -3.572 6.086 131 2HH2 ARG 14 1HH1 ARG 14 -18.142 -2.335 4.906 132 H ASN 15 H ASN 15 -11.343 -6.234 4.815 133 HA ASN 15 HA ASN 15 -13.562 -5.329 3.237 134 1HB ASN 15 1HB ASN 15 -10.959 -4.469 3.455 135 2HB ASN 15 2HB ASN 15 -10.805 -5.514 2.056 136 1HD2 ASN 15 1HD2 ASN 15 -11.426 -4.821 0.131 137 2HD2 ASN 15 2HD2 ASN 15 -12.293 -3.359 -0.206 138 H GLY 16 H GLY 16 -10.989 -7.871 3.297 139 1HA GLY 16 1HA GLY 16 -11.588 -10.081 2.555 140 2HA GLY 16 2HA GLY 16 -12.509 -9.365 1.248 141 H MET 17 H MET 17 -9.149 -8.909 2.582 142 HA MET 17 HA MET 17 -8.193 -9.472 -0.112 143 1HB MET 17 1HB MET 17 -7.892 -7.026 1.556 144 2HB MET 17 2HB MET 17 -6.353 -7.641 0.988 145 1HG MET 17 1HG MET 17 -8.717 -7.254 -0.899 146 2HG MET 17 2HG MET 17 -7.593 -5.955 -0.551 147 1HE MET 17 1HE MET 17 -4.901 -6.017 -1.481 148 2HE MET 17 2HE MET 17 -5.184 -6.369 -3.203 149 3HE MET 17 3HE MET 17 -6.358 -5.392 -2.290 150 H ALA 18 H ALA 18 -7.534 -9.288 3.423 151 HA ALA 18 HA ALA 18 -4.999 -10.267 3.533 152 1HB ALA 18 1HB ALA 18 -6.000 -9.585 5.549 153 2HB ALA 18 2HB ALA 18 -7.440 -10.599 5.289 154 3HB ALA 18 3HB ALA 18 -5.888 -11.353 5.729 155 H GLY 19 H GLY 19 -4.092 -11.987 2.528 156 1HA GLY 19 1HA GLY 19 -3.757 -14.230 2.182 157 2HA GLY 19 2HA GLY 19 -5.371 -14.584 2.768 158 H TYR 20 H TYR 20 -4.773 -12.041 0.337 159 HA TYR 20 HA TYR 20 -6.694 -12.845 -1.413 160 1HB TYR 20 1HB TYR 20 -5.073 -10.757 -1.239 161 2HB TYR 20 2HB TYR 20 -3.936 -11.715 -2.166 162 HD1 TYR 20 1HD TYR 20 -7.639 -11.131 -2.458 163 HD2 TYR 20 2HD TYR 20 -3.804 -10.943 -4.346 164 HE1 TYR 20 1HE TYR 20 -8.732 -10.349 -4.617 165 HE2 TYR 20 2HE TYR 20 -4.910 -10.161 -6.498 166 HH TYR 20 HH TYR 20 -7.541 -10.577 -7.422 167 H TYR 21 H TYR 21 -6.037 -13.385 -3.897 168 HA TYR 21 HA TYR 21 -5.718 -15.993 -4.185 169 1HB TYR 21 1HB TYR 21 -5.160 -13.506 -5.699 170 2HB TYR 21 2HB TYR 21 -4.091 -14.790 -6.226 171 HD1 TYR 21 1HD TYR 21 -5.671 -17.196 -6.206 172 HD2 TYR 21 2HD TYR 21 -6.875 -13.221 -7.233 173 HE1 TYR 21 1HE TYR 21 -7.526 -18.129 -7.674 174 HE2 TYR 21 2HE TYR 21 -8.725 -14.167 -8.697 175 HH TYR 21 HH TYR 21 -8.789 -17.188 -9.791 176 H GLY 22 H GLY 22 -2.946 -13.662 -3.993 177 1HA GLY 22 1HA GLY 22 -1.221 -15.973 -3.331 178 2HA GLY 22 2HA GLY 22 -0.712 -14.701 -4.425 179 H VAL 23 H VAL 23 -1.222 -12.329 -3.396 180 HA VAL 23 HA VAL 23 0.596 -11.881 -1.453 181 HB VAL 23 HB VAL 23 -1.983 -10.336 -1.733 182 1HG1 VAL 23 1HG1 VAL 23 -0.731 -9.419 0.033 183 2HG1 VAL 23 2HG1 VAL 23 0.815 -9.661 -0.816 184 3HG1 VAL 23 3HG1 VAL 23 -0.319 -8.405 -1.372 185 1HG2 VAL 23 1HG2 VAL 23 -1.463 -10.337 -3.947 186 2HG2 VAL 23 2HG2 VAL 23 -0.337 -9.056 -3.437 187 3HG2 VAL 23 3HG2 VAL 23 0.252 -10.721 -3.659 188 H SER 24 H SER 24 0.823 -12.481 0.634 189 HA SER 24 HA SER 24 -1.505 -13.554 1.942 190 1HB SER 24 1HB SER 24 0.991 -14.501 1.873 191 2HB SER 24 2HB SER 24 1.222 -13.417 3.229 192 HG SER 24 HG SER 24 -0.047 -15.859 3.154 193 H LEU 25 H LEU 25 -2.180 -12.843 4.107 194 HA LEU 25 HA LEU 25 -2.454 -10.142 4.385 195 1HB LEU 25 1HB LEU 25 -3.908 -11.550 5.547 196 2HB LEU 25 2HB LEU 25 -2.606 -12.434 6.316 197 HG LEU 25 HG LEU 25 -2.117 -10.593 7.791 198 1HD1 LEU 25 1HD1 LEU 25 -2.592 -8.800 6.093 199 2HD1 LEU 25 2HD1 LEU 25 -4.320 -8.994 6.469 200 3HD1 LEU 25 3HD1 LEU 25 -3.187 -8.466 7.736 201 1HD2 LEU 25 1HD2 LEU 25 -3.746 -11.171 9.192 202 2HD2 LEU 25 2HD2 LEU 25 -4.998 -10.421 8.173 203 3HD2 LEU 25 3HD2 LEU 25 -4.460 -12.084 7.842 204 H ALA 26 H ALA 26 0.110 -12.299 5.719 205 HA ALA 26 HA ALA 26 1.366 -10.388 7.296 206 1HB ALA 26 1HB ALA 26 1.901 -12.704 7.555 207 2HB ALA 26 2HB ALA 26 2.340 -12.869 5.839 208 3HB ALA 26 3HB ALA 26 3.377 -11.925 6.936 209 H ASP 27 H ASP 27 1.707 -11.218 3.802 210 HA ASP 27 HA ASP 27 3.875 -9.525 3.379 211 1HB ASP 27 1HB ASP 27 1.838 -10.040 1.212 212 2HB ASP 27 2HB ASP 27 3.586 -10.032 1.096 213 H TRP 28 H TRP 28 0.317 -9.133 3.403 214 HA TRP 28 HA TRP 28 0.238 -6.634 2.095 215 1HB TRP 28 1HB TRP 28 -1.653 -8.224 3.790 216 2HB TRP 28 2HB TRP 28 -2.025 -6.556 3.403 217 HD1 TRP 28 HD TRP 28 -2.939 -9.766 2.132 218 HE1 TRP 28 1HE TRP 28 -3.570 -9.842 -0.429 219 HE3 TRP 28 3HE TRP 28 -0.820 -5.300 0.941 220 HZ2 TRP 28 2HZ TRP 28 -3.123 -8.064 -2.617 221 HZ3 TRP 28 3HZ TRP 28 -0.962 -4.543 -1.430 222 HH2 TRP 28 HH TRP 28 -2.064 -5.846 -3.180 223 H VAL 29 H VAL 29 -0.087 -7.576 5.600 224 HA VAL 29 HA VAL 29 -0.018 -5.005 6.606 225 HB VAL 29 HB VAL 29 1.026 -7.549 7.866 226 1HG1 VAL 29 1HG1 VAL 29 -0.184 -6.046 9.840 227 2HG1 VAL 29 2HG1 VAL 29 1.568 -6.153 9.541 228 3HG1 VAL 29 3HG1 VAL 29 0.627 -4.809 8.849 229 1HG2 VAL 29 1HG2 VAL 29 -1.073 -8.295 7.554 230 2HG2 VAL 29 2HG2 VAL 29 -1.513 -7.155 8.849 231 3HG2 VAL 29 3HG2 VAL 29 -1.690 -6.677 7.144 232 H CYS 30 H CYS 30 2.721 -7.381 6.300 233 HA CYS 30 HA CYS 30 4.704 -5.736 7.189 234 1HB CYS 30 1HB CYS 30 4.795 -8.204 6.570 235 2HB CYS 30 2HB CYS 30 5.049 -7.690 4.913 236 H LEU 31 H LEU 31 3.297 -6.098 3.871 237 HA LEU 31 HA LEU 31 5.008 -4.445 2.503 238 1HB LEU 31 1HB LEU 31 3.539 -5.709 1.243 239 2HB LEU 31 2HB LEU 31 2.139 -5.231 2.183 240 HG LEU 31 HG LEU 31 2.290 -2.947 1.199 241 1HD1 LEU 31 1HD1 LEU 31 4.363 -4.129 -0.665 242 2HD1 LEU 31 2HD1 LEU 31 3.728 -2.466 -0.656 243 3HD1 LEU 31 3HD1 LEU 31 4.732 -3.044 0.696 244 1HD2 LEU 31 1HD2 LEU 31 1.786 -5.411 -0.408 245 2HD2 LEU 31 2HD2 LEU 31 0.667 -4.131 0.117 246 3HD2 LEU 31 3HD2 LEU 31 1.776 -3.841 -1.245 247 H ALA 32 H ALA 32 1.799 -3.497 3.934 248 HA ALA 32 HA ALA 32 2.111 -0.783 3.510 249 1HB ALA 32 1HB ALA 32 0.000 -0.952 4.257 250 2HB ALA 32 2HB ALA 32 0.320 -2.591 4.874 251 3HB ALA 32 3HB ALA 32 0.629 -1.176 5.907 252 H GLN 33 H GLN 33 3.498 -2.947 5.952 253 HA GLN 33 HA GLN 33 4.163 -0.920 7.768 254 1HB GLN 33 1HB GLN 33 4.032 -3.494 8.119 255 2HB GLN 33 2HB GLN 33 5.652 -3.550 7.454 256 1HG GLN 33 1HG GLN 33 4.984 -1.654 9.733 257 2HG GLN 33 2HG GLN 33 5.361 -3.335 10.055 258 1HE2 GLN 33 1HE2 GLN 33 6.552 -0.237 9.325 259 2HE2 GLN 33 2HE2 GLN 33 8.240 -0.600 9.190 260 H HIS 34 H HIS 34 6.088 -2.714 5.260 261 HA HIS 34 HA HIS 34 8.415 -1.217 5.681 262 1HB HIS 34 1HB HIS 34 8.016 -3.505 4.499 263 2HB HIS 34 2HB HIS 34 7.712 -2.540 3.068 264 HD1 HIS 34 1HD HIS 34 10.287 -4.488 4.061 265 HD2 HIS 34 2HD HIS 34 10.160 -0.363 3.309 266 HE1 HIS 34 1HE HIS 34 12.684 -3.781 3.548 267 HE2 HIS 34 2HE HIS 34 12.534 -1.247 3.041 268 H GLU 35 H GLU 35 5.438 -0.644 3.861 269 HA GLU 35 HA GLU 35 6.542 1.313 2.170 270 1HB GLU 35 1HB GLU 35 3.712 0.560 2.974 271 2HB GLU 35 2HB GLU 35 4.017 1.933 1.929 272 1HG GLU 35 1HG GLU 35 4.796 -0.971 1.405 273 2HG GLU 35 2HG GLU 35 3.595 -0.033 0.538 274 H SER 36 H SER 36 4.339 1.544 5.063 275 HA SER 36 HA SER 36 5.629 3.337 6.493 276 1HB SER 36 1HB SER 36 4.512 4.676 4.075 277 2HB SER 36 2HB SER 36 4.178 5.491 5.589 278 HG SER 36 HG SER 36 6.830 4.614 5.369 279 H ASN 37 H ASN 37 3.882 1.354 7.070 280 HA ASN 37 HA ASN 37 1.218 2.023 7.191 281 1HB ASN 37 1HB ASN 37 1.007 0.160 8.726 282 2HB ASN 37 2HB ASN 37 2.306 -0.261 7.628 283 1HD2 ASN 37 1HD2 ASN 37 4.070 1.801 8.871 284 2HD2 ASN 37 2HD2 ASN 37 4.663 1.106 10.343 285 H TYR 38 H TYR 38 0.882 1.442 10.174 286 HA TYR 38 HA TYR 38 0.614 2.546 12.077 287 1HB TYR 38 1HB TYR 38 3.254 3.470 10.929 288 2HB TYR 38 2HB TYR 38 2.612 4.483 12.207 289 HD1 TYR 38 1HD TYR 38 5.093 2.399 11.914 290 HD2 TYR 38 2HD TYR 38 1.347 2.441 13.979 291 HE1 TYR 38 1HE TYR 38 6.028 0.801 13.657 292 HE2 TYR 38 2HE TYR 38 2.294 0.843 15.716 293 HH TYR 38 HH TYR 38 5.022 -0.926 15.237 294 H ASN 39 H ASN 39 1.912 5.081 9.807 295 HA ASN 39 HA ASN 39 -0.336 6.719 10.637 296 1HB ASN 39 1HB ASN 39 2.120 7.558 9.016 297 2HB ASN 39 2HB ASN 39 0.968 8.626 9.792 298 1HD2 ASN 39 1HD2 ASN 39 1.291 9.262 11.806 299 2HD2 ASN 39 2HD2 ASN 39 2.498 8.662 12.895 300 H THR 40 H THR 40 -1.797 7.563 9.026 301 HA THR 40 HA THR 40 -1.521 6.304 6.385 302 HB THR 40 HB THR 40 -3.962 6.467 6.307 303 HG1 THR 40 1HG THR 40 -4.034 8.594 7.350 304 1HG2 THR 40 1HG2 THR 40 -3.844 5.901 9.221 305 2HG2 THR 40 2HG2 THR 40 -4.423 4.864 7.895 306 3HG2 THR 40 3HG2 THR 40 -2.684 4.946 8.267 307 H ARG 41 H ARG 41 0.070 8.619 7.102 308 HA ARG 41 HA ARG 41 -1.251 10.557 5.377 309 1HB ARG 41 1HB ARG 41 -0.679 11.173 7.864 310 2HB ARG 41 2HB ARG 41 0.989 11.230 7.330 311 1HG ARG 41 1HG ARG 41 0.498 12.982 5.708 312 2HG ARG 41 2HG ARG 41 -1.229 12.804 5.949 313 1HD ARG 41 1HD ARG 41 -0.722 13.397 8.463 314 2HD ARG 41 2HD ARG 41 0.822 13.973 7.865 315 HE ARG 41 HE ARG 41 -1.255 15.072 6.226 316 1HH1 ARG 41 2HH2 ARG 41 0.037 15.337 9.488 317 2HH1 ARG 41 1HH2 ARG 41 -0.469 16.981 9.692 318 1HH2 ARG 41 2HH1 ARG 41 -1.922 17.241 6.494 319 2HH2 ARG 41 1HH1 ARG 41 -1.591 18.071 7.977 320 H ALA 42 H ALA 42 0.756 8.106 5.067 321 HA ALA 42 HA ALA 42 3.252 8.879 4.372 322 1HB ALA 42 1HB ALA 42 2.840 7.034 2.488 323 2HB ALA 42 2HB ALA 42 2.893 6.602 4.214 324 3HB ALA 42 3HB ALA 42 1.327 6.794 3.393 325 H THR 43 H THR 43 3.764 10.749 3.311 326 HA THR 43 HA THR 43 2.854 10.980 0.569 327 HB THR 43 HB THR 43 2.243 13.460 1.108 328 HG1 THR 43 1HG THR 43 1.995 12.110 3.702 329 1HG2 THR 43 1HG2 THR 43 0.008 12.884 1.311 330 2HG2 THR 43 2HG2 THR 43 0.617 11.243 0.984 331 3HG2 THR 43 3HG2 THR 43 0.323 11.766 2.660 332 H ASN 44 H ASN 44 4.563 11.397 -0.676 333 HA ASN 44 HA ASN 44 6.554 13.193 0.361 334 1HB ASN 44 1HB ASN 44 6.930 10.301 0.253 335 2HB ASN 44 2HB ASN 44 8.023 11.061 -0.887 336 1HD2 ASN 44 1HD2 ASN 44 7.794 9.962 2.140 337 2HD2 ASN 44 2HD2 ASN 44 8.926 10.968 2.981 338 H TYR 45 H TYR 45 6.174 14.660 -1.364 339 HA TYR 45 HA TYR 45 5.944 13.618 -4.060 340 1HB TYR 45 1HB TYR 45 5.543 16.112 -4.464 341 2HB TYR 45 2HB TYR 45 4.473 15.453 -3.241 342 HD1 TYR 45 1HD TYR 45 4.340 16.460 -1.127 343 HD2 TYR 45 2HD TYR 45 7.722 17.271 -3.618 344 HE1 TYR 45 1HE TYR 45 5.132 18.234 0.514 345 HE2 TYR 45 2HE TYR 45 8.502 19.043 -1.971 346 HH TYR 45 HH TYR 45 6.501 20.241 0.468 347 H ASN 46 H ASN 46 7.251 14.578 -5.847 348 HA ASN 46 HA ASN 46 9.666 15.866 -5.135 349 1HB ASN 46 1HB ASN 46 9.683 12.939 -6.008 350 2HB ASN 46 2HB ASN 46 11.076 13.972 -6.256 351 1HD2 ASN 46 1HD2 ASN 46 12.049 15.011 -4.421 352 2HD2 ASN 46 2HD2 ASN 46 12.004 14.268 -2.857 353 H ARG 47 H ARG 47 9.480 17.388 -6.805 354 HA ARG 47 HA ARG 47 8.287 16.675 -9.254 355 1HB ARG 47 1HB ARG 47 8.561 19.027 -7.935 356 2HB ARG 47 2HB ARG 47 9.952 19.179 -8.990 357 1HG ARG 47 1HG ARG 47 7.781 18.231 -10.613 358 2HG ARG 47 2HG ARG 47 7.145 19.535 -9.632 359 1HD ARG 47 1HD ARG 47 9.318 20.840 -10.342 360 2HD ARG 47 2HD ARG 47 9.466 19.623 -11.593 361 HE ARG 47 HE ARG 47 6.860 20.398 -11.905 362 1HH1 ARG 47 2HH2 ARG 47 9.835 22.253 -11.598 363 2HH1 ARG 47 1HH2 ARG 47 9.256 23.579 -12.549 364 1HH2 ARG 47 2HH1 ARG 47 6.097 22.147 -13.161 365 2HH2 ARG 47 1HH1 ARG 47 7.115 23.518 -13.445 366 H GLY 48 H GLY 48 11.591 16.923 -7.965 367 1HA GLY 48 1HA GLY 48 13.254 17.303 -10.005 368 2HA GLY 48 2HA GLY 48 13.500 16.031 -8.826 369 H ASP 49 H ASP 49 11.186 14.384 -9.545 370 HA ASP 49 HA ASP 49 11.955 13.633 -12.252 371 1HB ASP 49 1HB ASP 49 12.683 12.179 -10.074 372 2HB ASP 49 2HB ASP 49 11.076 11.516 -10.303 373 H GLN 50 H GLN 50 9.709 15.304 -11.305 374 HA GLN 50 HA GLN 50 7.502 15.373 -11.110 375 1HB GLN 50 1HB GLN 50 8.267 15.216 -13.651 376 2HB GLN 50 2HB GLN 50 7.384 13.703 -13.626 377 1HG GLN 50 1HG GLN 50 5.500 14.915 -13.996 378 2HG GLN 50 2HG GLN 50 5.632 15.476 -12.341 379 1HE2 GLN 50 1HE2 GLN 50 7.251 16.080 -15.462 380 2HE2 GLN 50 2HE2 GLN 50 7.210 17.810 -15.398 381 H SER 51 H SER 51 8.142 13.482 -9.302 382 HA SER 51 HA SER 51 6.023 11.553 -9.711 383 1HB SER 51 1HB SER 51 7.444 9.728 -8.770 384 2HB SER 51 2HB SER 51 8.040 10.316 -10.310 385 HG SER 51 HG SER 51 9.264 11.852 -8.534 386 H THR 52 H THR 52 5.173 10.682 -7.638 387 HA THR 52 HA THR 52 6.159 11.980 -5.227 388 HB THR 52 HB THR 52 3.434 12.450 -6.515 389 HG1 THR 52 1HG THR 52 5.225 13.954 -6.860 390 1HG2 THR 52 1HG2 THR 52 3.119 13.790 -4.257 391 2HG2 THR 52 2HG2 THR 52 2.728 12.053 -4.277 392 3HG2 THR 52 3HG2 THR 52 4.277 12.610 -3.598 393 H ASP 53 H ASP 53 6.027 10.698 -3.461 394 HA ASP 53 HA ASP 53 4.741 8.143 -3.942 395 1HB ASP 53 1HB ASP 53 6.644 8.941 -1.692 396 2HB ASP 53 2HB ASP 53 6.141 7.312 -2.095 397 H TYR 54 H TYR 54 2.581 8.318 -3.233 398 HA TYR 54 HA TYR 54 2.210 9.351 -0.504 399 1HB TYR 54 1HB TYR 54 0.888 9.873 -3.184 400 2HB TYR 54 2HB TYR 54 -0.195 9.767 -1.810 401 HD1 TYR 54 1HD TYR 54 -0.865 11.856 -1.075 402 HD2 TYR 54 2HD TYR 54 3.179 11.334 -2.368 403 HE1 TYR 54 1HE TYR 54 -0.360 14.280 -0.499 404 HE2 TYR 54 2HE TYR 54 3.670 13.760 -1.788 405 HH TYR 54 HH TYR 54 1.230 15.764 -0.207 406 H GLY 55 H GLY 55 0.285 8.446 0.616 407 1HA GLY 55 1HA GLY 55 -1.405 6.835 0.797 408 2HA GLY 55 2HA GLY 55 -0.697 5.923 -0.521 409 H ILE 56 H ILE 56 -1.438 5.109 2.303 410 HA ILE 56 HA ILE 56 0.762 4.826 3.926 411 HB ILE 56 HB ILE 56 -1.667 4.331 4.393 412 1HG1 ILE 56 1HG1 ILE 56 0.101 2.090 5.351 413 2HG1 ILE 56 2HG1 ILE 56 0.447 3.745 5.809 414 1HG2 ILE 56 1HG2 ILE 56 -2.708 2.423 3.727 415 2HG2 ILE 56 2HG2 ILE 56 -1.615 2.636 2.338 416 3HG2 ILE 56 3HG2 ILE 56 -1.195 1.490 3.634 417 1HD1 ILE 56 1HD1 ILE 56 -2.414 3.070 6.101 418 2HD1 ILE 56 2HD1 ILE 56 -1.348 2.055 7.101 419 3HD1 ILE 56 3HD1 ILE 56 -1.301 3.827 7.266 420 H PHE 57 H PHE 57 -0.134 3.110 0.943 421 HA PHE 57 HA PHE 57 1.963 1.158 1.371 422 1HB PHE 57 1HB PHE 57 -0.160 1.779 -0.754 423 2HB PHE 57 2HB PHE 57 1.046 0.537 -1.033 424 HD1 PHE 57 1HD PHE 57 1.254 -0.849 1.494 425 HD2 PHE 57 2HD PHE 57 -2.192 0.749 -0.397 426 HE1 PHE 57 1HE PHE 57 -0.182 -2.514 2.704 427 HE2 PHE 57 2HE PHE 57 -3.629 -0.917 0.813 428 HZ PHE 57 HZ PHE 57 -2.606 -2.528 2.349 429 H GLN 58 H GLN 58 2.475 4.167 0.985 430 HA GLN 58 HA GLN 58 3.622 5.533 -0.317 431 1HB GLN 58 1HB GLN 58 5.224 3.729 0.918 432 2HB GLN 58 2HB GLN 58 5.700 3.411 -0.738 433 1HG GLN 58 1HG GLN 58 7.016 5.254 -0.696 434 2HG GLN 58 2HG GLN 58 5.591 6.253 -0.496 435 1HE2 GLN 58 1HE2 GLN 58 5.120 7.157 1.420 436 2HE2 GLN 58 2HE2 GLN 58 6.081 7.023 2.855 437 H ILE 59 H ILE 59 1.844 5.156 -2.063 438 HA ILE 59 HA ILE 59 2.824 3.657 -4.344 439 HB ILE 59 HB ILE 59 0.236 4.839 -3.480 440 1HG1 ILE 59 1HG1 ILE 59 0.836 2.240 -4.910 441 2HG1 ILE 59 2HG1 ILE 59 0.963 2.419 -3.171 442 1HG2 ILE 59 1HG2 ILE 59 1.199 4.782 -6.293 443 2HG2 ILE 59 2HG2 ILE 59 -0.455 4.200 -5.984 444 3HG2 ILE 59 3HG2 ILE 59 0.014 5.847 -5.498 445 1HD1 ILE 59 1HD1 ILE 59 -1.558 3.103 -4.748 446 2HD1 ILE 59 2HD1 ILE 59 -1.274 1.534 -3.955 447 3HD1 ILE 59 3HD1 ILE 59 -1.392 3.016 -2.979 448 H ASN 60 H ASN 60 3.690 4.544 -6.184 449 HA ASN 60 HA ASN 60 4.502 7.250 -5.965 450 1HB ASN 60 1HB ASN 60 5.121 4.896 -7.639 451 2HB ASN 60 2HB ASN 60 5.055 6.362 -8.596 452 1HD2 ASN 60 1HD2 ASN 60 6.750 4.537 -6.248 453 2HD2 ASN 60 2HD2 ASN 60 8.109 5.584 -6.008 454 H SER 61 H SER 61 3.403 9.020 -6.845 455 HA SER 61 HA SER 61 0.998 8.480 -8.282 456 1HB SER 61 1HB SER 61 0.797 10.231 -6.701 457 2HB SER 61 2HB SER 61 2.328 10.953 -7.154 458 HG SER 61 HG SER 61 0.069 10.832 -8.956 459 H ARG 62 H ARG 62 4.073 8.301 -9.272 460 HA ARG 62 HA ARG 62 3.886 10.051 -11.531 461 1HB ARG 62 1HB ARG 62 6.170 9.256 -12.047 462 2HB ARG 62 2HB ARG 62 6.065 9.705 -10.357 463 1HG ARG 62 1HG ARG 62 6.459 7.571 -9.642 464 2HG ARG 62 2HG ARG 62 5.338 6.879 -10.798 465 1HD ARG 62 1HD ARG 62 7.116 7.265 -12.610 466 2HD ARG 62 2HD ARG 62 8.230 7.709 -11.331 467 HE ARG 62 HE ARG 62 7.395 5.024 -12.019 468 1HH1 ARG 62 2HH2 ARG 62 8.326 7.036 -9.286 469 2HH1 ARG 62 1HH2 ARG 62 8.892 5.704 -8.334 470 1HH2 ARG 62 2HH1 ARG 62 8.141 3.266 -10.764 471 2HH2 ARG 62 1HH1 ARG 62 8.786 3.545 -9.181 472 H TYR 63 H TYR 63 2.208 7.417 -10.905 473 HA TYR 63 HA TYR 63 2.127 6.571 -13.649 474 1HB TYR 63 1HB TYR 63 3.715 5.227 -11.618 475 2HB TYR 63 2HB TYR 63 2.312 4.216 -11.904 476 HD1 TYR 63 1HD TYR 63 1.756 4.046 -14.605 477 HD2 TYR 63 2HD TYR 63 5.599 4.665 -12.831 478 HE1 TYR 63 1HE TYR 63 2.874 3.093 -16.679 479 HE2 TYR 63 2HE TYR 63 6.705 3.710 -14.912 480 HH TYR 63 HH TYR 63 6.091 3.508 -17.343 481 H TRP 64 H TRP 64 1.087 6.218 -10.229 482 HA TRP 64 HA TRP 64 -1.574 5.486 -11.246 483 1HB TRP 64 1HB TRP 64 -0.316 4.796 -8.584 484 2HB TRP 64 2HB TRP 64 -1.951 4.403 -9.078 485 HD1 TRP 64 HD TRP 64 1.318 2.795 -8.918 486 HE1 TRP 64 1HE TRP 64 1.561 0.665 -10.455 487 HE3 TRP 64 3HE TRP 64 -2.793 3.729 -11.759 488 HZ2 TRP 64 2HZ TRP 64 0.041 -0.368 -12.639 489 HZ3 TRP 64 3HZ TRP 64 -3.343 2.111 -13.573 490 HH2 TRP 64 HH TRP 64 -2.003 0.120 -14.034 491 H CYS 65 H CYS 65 -3.356 6.297 -9.656 492 HA CYS 65 HA CYS 65 -4.413 7.990 -8.746 493 1HB CYS 65 1HB CYS 65 -3.641 8.595 -6.757 494 2HB CYS 65 2HB CYS 65 -2.264 7.572 -7.114 495 H ASN 66 H ASN 66 -4.814 10.348 -9.009 496 HA ASN 66 HA ASN 66 -3.253 11.357 -11.243 497 1HB ASN 66 1HB ASN 66 -5.202 12.637 -11.871 498 2HB ASN 66 2HB ASN 66 -5.809 11.054 -11.428 499 1HD2 ASN 66 1HD2 ASN 66 -7.480 11.008 -10.147 500 2HD2 ASN 66 2HD2 ASN 66 -7.964 12.213 -9.001 501 H ASP 67 H ASP 67 -3.836 14.094 -11.101 502 HA ASP 67 HA ASP 67 -3.537 15.033 -8.443 503 1HB ASP 67 1HB ASP 67 -1.212 14.466 -8.753 504 2HB ASP 67 2HB ASP 67 -1.204 15.078 -10.395 505 H GLY 68 H GLY 68 -3.073 15.618 -11.993 506 1HA GLY 68 1HA GLY 68 -4.004 17.164 -13.354 507 2HA GLY 68 2HA GLY 68 -4.999 17.727 -12.026 508 H LYS 69 H LYS 69 -1.828 17.659 -10.873 509 HA LYS 69 HA LYS 69 -1.546 20.516 -11.451 510 1HB LYS 69 1HB LYS 69 -1.588 19.200 -9.041 511 2HB LYS 69 2HB LYS 69 0.134 19.314 -9.345 512 1HG LYS 69 1HG LYS 69 -1.462 21.790 -9.904 513 2HG LYS 69 2HG LYS 69 -1.332 21.327 -8.219 514 1HD LYS 69 1HD LYS 69 1.271 21.063 -9.502 515 2HD LYS 69 2HD LYS 69 0.627 22.662 -9.813 516 1HE LYS 69 1HE LYS 69 0.259 23.025 -7.389 517 2HE LYS 69 2HE LYS 69 0.786 21.391 -7.038 518 1HZ LYS 69 1HZ LYS 69 2.632 22.948 -8.584 519 2HZ LYS 69 2HZ LYS 69 2.394 23.487 -7.060 520 3HZ LYS 69 3HZ LYS 69 2.910 21.959 -7.315 521 H THR 70 H THR 70 -0.599 17.608 -12.698 522 HA THR 70 HA THR 70 1.841 18.796 -13.754 523 HB THR 70 HB THR 70 1.648 16.304 -12.032 524 HG1 THR 70 1HG THR 70 2.672 18.013 -10.999 525 1HG2 THR 70 1HG2 THR 70 2.711 15.794 -14.387 526 2HG2 THR 70 2HG2 THR 70 4.013 16.886 -13.859 527 3HG2 THR 70 3HG2 THR 70 3.666 15.404 -12.937 528 HA PRO 71 HA PRO 71 -0.321 17.035 -17.130 529 1HB PRO 71 1HB PRO 71 0.788 18.625 -19.058 530 2HB PRO 71 2HB PRO 71 -0.655 19.065 -18.166 531 1HG PRO 71 1HG PRO 71 2.097 20.100 -17.863 532 2HG PRO 71 2HG PRO 71 0.593 20.803 -17.305 533 1HD PRO 71 1HD PRO 71 2.534 19.414 -15.714 534 2HD PRO 71 2HD PRO 71 0.977 20.015 -15.179 535 H ARG 72 H ARG 72 1.398 15.363 -16.087 536 HA ARG 72 HA ARG 72 2.697 14.455 -18.473 537 1HB ARG 72 1HB ARG 72 4.363 15.921 -17.138 538 2HB ARG 72 2HB ARG 72 4.315 14.689 -15.893 539 1HG ARG 72 1HG ARG 72 4.748 13.163 -18.174 540 2HG ARG 72 2HG ARG 72 5.626 14.630 -18.559 541 1HD ARG 72 1HD ARG 72 6.457 14.275 -15.974 542 2HD ARG 72 2HD ARG 72 6.157 12.605 -16.411 543 HE ARG 72 HE ARG 72 8.347 14.229 -17.335 544 1HH1 ARG 72 2HH2 ARG 72 6.111 11.750 -18.450 545 2HH1 ARG 72 1HH2 ARG 72 7.191 11.138 -19.657 546 1HH2 ARG 72 2HH1 ARG 72 9.772 13.421 -18.929 547 2HH2 ARG 72 1HH1 ARG 72 9.287 12.095 -19.931 548 H ALA 73 H ALA 73 2.056 14.024 -14.939 549 HA ALA 73 HA ALA 73 2.578 11.355 -14.676 550 1HB ALA 73 1HB ALA 73 1.067 13.432 -13.301 551 2HB ALA 73 2HB ALA 73 0.259 11.853 -13.161 552 3HB ALA 73 3HB ALA 73 1.947 12.039 -12.627 553 H VAL 74 H VAL 74 0.550 9.736 -14.148 554 HA VAL 74 HA VAL 74 -1.459 9.939 -16.218 555 HB VAL 74 HB VAL 74 -0.433 7.313 -16.435 556 1HG1 VAL 74 1HG1 VAL 74 -1.656 8.912 -18.085 557 2HG1 VAL 74 2HG1 VAL 74 -0.016 9.456 -18.512 558 3HG1 VAL 74 3HG1 VAL 74 -0.472 7.749 -18.724 559 1HG2 VAL 74 1HG2 VAL 74 1.837 7.605 -17.167 560 2HG2 VAL 74 2HG2 VAL 74 1.736 9.370 -16.959 561 3HG2 VAL 74 3HG2 VAL 74 1.695 8.302 -15.535 562 H ASN 75 H ASN 75 -3.069 9.981 -14.649 563 HA ASN 75 HA ASN 75 -2.983 8.354 -12.392 564 1HB ASN 75 1HB ASN 75 -5.322 9.074 -12.057 565 2HB ASN 75 2HB ASN 75 -4.374 10.440 -12.611 566 1HD2 ASN 75 1HD2 ASN 75 -7.240 9.895 -12.790 567 2HD2 ASN 75 2HD2 ASN 75 -7.679 9.987 -14.463 568 H ALA 76 H ALA 76 -2.350 6.376 -13.959 569 HA ALA 76 HA ALA 76 -4.300 5.188 -15.556 570 1HB ALA 76 1HB ALA 76 -1.902 4.654 -15.653 571 2HB ALA 76 2HB ALA 76 -1.977 3.967 -14.012 572 3HB ALA 76 3HB ALA 76 -2.856 3.183 -15.346 573 H CYS 77 H CYS 77 -4.112 5.602 -12.130 574 HA CYS 77 HA CYS 77 -5.683 3.242 -11.581 575 1HB CYS 77 1HB CYS 77 -3.798 4.310 -10.115 576 2HB CYS 77 2HB CYS 77 -5.071 5.384 -9.571 577 H GLY 78 H GLY 78 -5.954 6.772 -12.016 578 1HA GLY 78 1HA GLY 78 -7.753 8.090 -12.323 579 2HA GLY 78 2HA GLY 78 -8.741 6.652 -12.486 580 H ILE 79 H ILE 79 -6.762 8.009 -9.748 581 HA ILE 79 HA ILE 79 -9.176 8.482 -8.243 582 HB ILE 79 HB ILE 79 -8.994 6.888 -6.665 583 1HG1 ILE 79 1HG1 ILE 79 -6.723 7.612 -5.963 584 2HG1 ILE 79 2HG1 ILE 79 -6.987 5.884 -5.827 585 1HG2 ILE 79 1HG2 ILE 79 -9.401 5.660 -8.685 586 2HG2 ILE 79 2HG2 ILE 79 -7.660 5.587 -9.052 587 3HG2 ILE 79 3HG2 ILE 79 -8.313 4.701 -7.652 588 1HD1 ILE 79 1HD1 ILE 79 -5.906 6.756 -8.460 589 2HD1 ILE 79 2HD1 ILE 79 -4.818 7.015 -7.075 590 3HD1 ILE 79 3HD1 ILE 79 -5.430 5.382 -7.434 591 H ASN 80 H ASN 80 -8.897 10.450 -7.357 592 HA ASN 80 HA ASN 80 -6.616 11.869 -7.510 593 1HB ASN 80 1HB ASN 80 -9.108 12.009 -5.852 594 2HB ASN 80 2HB ASN 80 -7.760 12.939 -5.228 595 1HD2 ASN 80 1HD2 ASN 80 -10.424 13.157 -7.023 596 2HD2 ASN 80 2HD2 ASN 80 -10.022 14.429 -8.129 597 H CYS 81 H CYS 81 -4.644 11.780 -6.408 598 HA CYS 81 HA CYS 81 -3.965 9.793 -4.705 599 1HB CYS 81 1HB CYS 81 -2.800 12.273 -5.616 600 2HB CYS 81 2HB CYS 81 -2.394 12.003 -3.933 601 H SER 82 H SER 82 -5.750 12.786 -4.085 602 HA SER 82 HA SER 82 -5.299 13.054 -1.392 603 1HB SER 82 1HB SER 82 -6.864 14.307 -3.316 604 2HB SER 82 2HB SER 82 -8.078 13.618 -2.257 605 HG SER 82 HG SER 82 -5.850 15.077 -1.164 606 H ALA 83 H ALA 83 -7.331 10.784 -3.224 607 HA ALA 83 HA ALA 83 -9.018 9.986 -1.137 608 1HB ALA 83 1HB ALA 83 -9.235 9.567 -3.646 609 2HB ALA 83 2HB ALA 83 -8.029 8.275 -3.444 610 3HB ALA 83 3HB ALA 83 -9.589 8.176 -2.595 611 H LEU 84 H LEU 84 -5.622 9.424 -1.814 612 HA LEU 84 HA LEU 84 -5.594 7.201 0.087 613 1HB LEU 84 1HB LEU 84 -3.324 8.163 -1.645 614 2HB LEU 84 2HB LEU 84 -3.459 6.643 -0.785 615 HG LEU 84 HG LEU 84 -5.686 6.764 -2.535 616 1HD1 LEU 84 1HD1 LEU 84 -3.299 8.090 -3.642 617 2HD1 LEU 84 2HD1 LEU 84 -3.977 6.793 -4.656 618 3HD1 LEU 84 3HD1 LEU 84 -5.002 8.160 -4.154 619 1HD2 LEU 84 1HD2 LEU 84 -4.811 4.676 -1.977 620 2HD2 LEU 84 2HD2 LEU 84 -4.349 4.888 -3.684 621 3HD2 LEU 84 3HD2 LEU 84 -3.146 5.149 -2.397 622 H LEU 85 H LEU 85 -5.870 10.325 0.462 623 HA LEU 85 HA LEU 85 -3.652 10.521 2.379 624 1HB LEU 85 1HB LEU 85 -4.095 12.147 0.249 625 2HB LEU 85 2HB LEU 85 -5.001 12.989 1.490 626 HG LEU 85 HG LEU 85 -2.088 12.196 1.747 627 1HD1 LEU 85 1HD1 LEU 85 -2.331 13.808 -0.050 628 2HD1 LEU 85 2HD1 LEU 85 -3.301 14.870 0.998 629 3HD1 LEU 85 3HD1 LEU 85 -1.585 14.578 1.370 630 1HD2 LEU 85 1HD2 LEU 85 -3.740 14.089 3.438 631 2HD2 LEU 85 2HD2 LEU 85 -3.321 12.419 3.884 632 3HD2 LEU 85 3HD2 LEU 85 -2.037 13.635 3.684 633 H GLN 86 H GLN 86 -6.735 9.564 2.239 634 HA GLN 86 HA GLN 86 -7.542 11.140 4.549 635 1HB GLN 86 1HB GLN 86 -9.828 10.514 4.038 636 2HB GLN 86 2HB GLN 86 -9.083 11.095 2.562 637 1HG GLN 86 1HG GLN 86 -8.685 8.783 1.795 638 2HG GLN 86 2HG GLN 86 -9.275 8.141 3.316 639 1HE2 GLN 86 1HE2 GLN 86 -10.332 7.371 0.908 640 2HE2 GLN 86 2HE2 GLN 86 -11.963 7.932 0.744 641 H ASP 87 H ASP 87 -9.568 9.120 5.363 642 HA ASP 87 HA ASP 87 -7.737 7.446 6.807 643 1HB ASP 87 1HB ASP 87 -10.370 6.755 7.533 644 2HB ASP 87 2HB ASP 87 -9.295 7.827 8.409 645 H ASP 88 H ASP 88 -10.858 7.082 4.947 646 HA ASP 88 HA ASP 88 -10.977 4.403 4.838 647 1HB ASP 88 1HB ASP 88 -11.545 6.059 2.359 648 2HB ASP 88 2HB ASP 88 -12.426 4.664 2.952 649 H ILE 89 H ILE 89 -9.332 2.979 4.235 650 HA ILE 89 HA ILE 89 -7.350 3.838 2.329 651 HB ILE 89 HB ILE 89 -6.213 1.805 2.905 652 1HG1 ILE 89 1HG1 ILE 89 -8.516 0.997 4.686 653 2HG1 ILE 89 2HG1 ILE 89 -8.398 0.452 3.025 654 1HG2 ILE 89 1HG2 ILE 89 -5.829 2.193 5.257 655 2HG2 ILE 89 2HG2 ILE 89 -6.067 3.751 4.431 656 3HG2 ILE 89 3HG2 ILE 89 -7.380 3.053 5.408 657 1HD1 ILE 89 1HD1 ILE 89 -7.323 -1.260 4.279 658 2HD1 ILE 89 2HD1 ILE 89 -5.976 -0.298 3.623 659 3HD1 ILE 89 3HD1 ILE 89 -6.479 -0.086 5.317 660 H THR 90 H THR 90 -10.462 2.898 1.963 661 HA THR 90 HA THR 90 -10.567 0.732 0.319 662 HB THR 90 HB THR 90 -12.512 2.064 1.139 663 HG1 THR 90 1HG THR 90 -12.692 0.731 -0.811 664 1HG2 THR 90 1HG2 THR 90 -11.859 4.375 0.829 665 2HG2 THR 90 2HG2 THR 90 -11.423 4.090 -0.873 666 3HG2 THR 90 3HG2 THR 90 -13.133 4.072 -0.376 667 H ALA 91 H ALA 91 -9.301 3.980 -0.445 668 HA ALA 91 HA ALA 91 -9.131 3.453 -3.238 669 1HB ALA 91 1HB ALA 91 -8.765 5.644 -1.417 670 2HB ALA 91 2HB ALA 91 -7.294 5.484 -2.407 671 3HB ALA 91 3HB ALA 91 -8.879 5.684 -3.193 672 H ALA 92 H ALA 92 -6.982 3.124 -0.381 673 HA ALA 92 HA ALA 92 -4.636 2.604 -1.834 674 1HB ALA 92 1HB ALA 92 -5.609 2.489 0.948 675 2HB ALA 92 2HB ALA 92 -4.354 1.284 0.577 676 3HB ALA 92 3HB ALA 92 -4.033 3.013 0.310 677 H ILE 93 H ILE 93 -7.305 0.532 -0.588 678 HA ILE 93 HA ILE 93 -6.016 -1.887 -1.325 679 HB ILE 93 HB ILE 93 -8.947 -1.391 -0.811 680 1HG1 ILE 93 1HG1 ILE 93 -6.671 -1.798 1.143 681 2HG1 ILE 93 2HG1 ILE 93 -7.759 -0.428 1.038 682 1HG2 ILE 93 1HG2 ILE 93 -7.919 -3.888 0.167 683 2HG2 ILE 93 2HG2 ILE 93 -9.207 -3.582 -1.023 684 3HG2 ILE 93 3HG2 ILE 93 -7.514 -3.707 -1.556 685 1HD1 ILE 93 1HD1 ILE 93 -9.641 -2.300 1.368 686 2HD1 ILE 93 2HD1 ILE 93 -8.287 -3.199 2.093 687 3HD1 ILE 93 3HD1 ILE 93 -8.768 -1.622 2.764 688 H GLN 94 H GLN 94 -8.594 0.186 -2.796 689 HA GLN 94 HA GLN 94 -9.090 -1.441 -4.947 690 1HB GLN 94 1HB GLN 94 -10.414 0.586 -4.211 691 2HB GLN 94 2HB GLN 94 -9.174 1.607 -4.910 692 1HG GLN 94 1HG GLN 94 -9.585 0.693 -7.147 693 2HG GLN 94 2HG GLN 94 -10.668 -0.526 -6.504 694 1HE2 GLN 94 1HE2 GLN 94 -10.281 2.708 -7.550 695 2HE2 GLN 94 2HE2 GLN 94 -11.904 3.270 -7.329 696 H CYS 95 H CYS 95 -6.729 1.287 -4.596 697 HA CYS 95 HA CYS 95 -5.754 1.040 -7.221 698 1HB CYS 95 1HB CYS 95 -5.560 2.945 -5.365 699 2HB CYS 95 2HB CYS 95 -4.031 2.146 -5.055 700 H ALA 96 H ALA 96 -4.817 -0.268 -3.990 701 HA ALA 96 HA ALA 96 -2.392 -1.378 -4.604 702 1HB ALA 96 1HB ALA 96 -3.181 -3.136 -2.837 703 2HB ALA 96 2HB ALA 96 -3.060 -1.427 -2.354 704 3HB ALA 96 3HB ALA 96 -4.649 -2.132 -2.738 705 H LYS 97 H LYS 97 -5.695 -2.824 -5.018 706 HA LYS 97 HA LYS 97 -4.655 -5.176 -6.219 707 1HB LYS 97 1HB LYS 97 -6.981 -5.740 -6.605 708 2HB LYS 97 2HB LYS 97 -6.774 -5.127 -4.976 709 1HG LYS 97 1HG LYS 97 -7.818 -3.057 -5.473 710 2HG LYS 97 2HG LYS 97 -7.524 -3.205 -7.194 711 1HD LYS 97 1HD LYS 97 -9.289 -4.753 -7.506 712 2HD LYS 97 2HD LYS 97 -9.292 -5.246 -5.824 713 1HE LYS 97 1HE LYS 97 -10.482 -3.338 -5.117 714 2HE LYS 97 2HE LYS 97 -9.951 -2.369 -6.478 715 1HZ LYS 97 1HZ LYS 97 -11.645 -4.706 -6.916 716 2HZ LYS 97 2HZ LYS 97 -12.306 -3.280 -6.471 717 3HZ LYS 97 3HZ LYS 97 -11.457 -3.388 -7.862 718 H ARG 98 H ARG 98 -5.959 -2.041 -7.397 719 HA ARG 98 HA ARG 98 -6.094 -2.798 -10.056 720 1HB ARG 98 1HB ARG 98 -7.143 -0.736 -9.018 721 2HB ARG 98 2HB ARG 98 -5.551 -0.011 -8.912 722 1HG ARG 98 1HG ARG 98 -5.476 0.474 -11.153 723 2HG ARG 98 2HG ARG 98 -6.184 -1.061 -11.614 724 1HD ARG 98 1HD ARG 98 -8.445 -0.199 -10.874 725 2HD ARG 98 2HD ARG 98 -7.711 1.352 -10.521 726 HE ARG 98 HE ARG 98 -7.654 1.824 -12.814 727 1HH1 ARG 98 2HH2 ARG 98 -8.119 -1.635 -12.360 728 2HH1 ARG 98 1HH2 ARG 98 -8.398 -1.947 -14.041 729 1HH2 ARG 98 2HH1 ARG 98 -8.021 1.412 -15.031 730 2HH2 ARG 98 1HH1 ARG 98 -8.342 -0.203 -15.570 731 H VAL 99 H VAL 99 -3.405 -2.084 -7.949 732 HA VAL 99 HA VAL 99 -1.638 -1.400 -10.148 733 HB VAL 99 HB VAL 99 -1.366 -1.545 -7.150 734 1HG1 VAL 99 1HG1 VAL 99 0.786 -1.303 -9.250 735 2HG1 VAL 99 2HG1 VAL 99 0.974 -0.536 -7.654 736 3HG1 VAL 99 3HG1 VAL 99 0.754 -2.298 -7.775 737 1HG2 VAL 99 1HG2 VAL 99 -2.430 0.429 -8.560 738 2HG2 VAL 99 2HG2 VAL 99 -1.369 0.755 -7.168 739 3HG2 VAL 99 3HG2 VAL 99 -0.722 0.856 -8.823 740 H VAL 100 H VAL 100 -1.829 -3.895 -7.507 741 HA VAL 100 HA VAL 100 0.195 -5.502 -8.496 742 HB VAL 100 HB VAL 100 -1.366 -5.457 -6.304 743 1HG1 VAL 100 1HG1 VAL 100 -2.880 -7.248 -6.162 744 2HG1 VAL 100 2HG1 VAL 100 -3.229 -6.506 -7.743 745 3HG1 VAL 100 3HG1 VAL 100 -2.271 -8.004 -7.655 746 1HG2 VAL 100 1HG2 VAL 100 0.859 -6.475 -6.490 747 2HG2 VAL 100 2HG2 VAL 100 -0.271 -7.555 -5.638 748 3HG2 VAL 100 3HG2 VAL 100 0.155 -7.875 -7.336 749 H ARG 101 H ARG 101 -3.192 -5.102 -9.490 750 HA ARG 101 HA ARG 101 -3.623 -7.441 -10.765 751 1HB ARG 101 1HB ARG 101 -4.661 -4.700 -10.893 752 2HB ARG 101 2HB ARG 101 -4.698 -5.439 -12.482 753 1HG ARG 101 1HG ARG 101 -5.830 -7.471 -11.410 754 2HG ARG 101 2HG ARG 101 -5.951 -6.544 -9.927 755 1HD ARG 101 1HD ARG 101 -7.812 -5.498 -10.696 756 2HD ARG 101 2HD ARG 101 -6.928 -4.883 -12.079 757 HE ARG 101 HE ARG 101 -8.629 -7.292 -12.009 758 1HH1 ARG 101 2HH2 ARG 101 -6.196 -5.468 -13.779 759 2HH1 ARG 101 1HH2 ARG 101 -6.555 -6.218 -15.299 760 1HH2 ARG 101 2HH1 ARG 101 -9.104 -8.282 -14.013 761 2HH2 ARG 101 1HH1 ARG 101 -8.220 -7.829 -15.433 762 H ASP 102 H ASP 102 -1.403 -4.836 -11.596 763 HA ASP 102 HA ASP 102 -1.208 -5.453 -14.332 764 1HB ASP 102 1HB ASP 102 -0.126 -3.539 -12.479 765 2HB ASP 102 2HB ASP 102 1.237 -4.300 -13.274 766 HA PRO 103 HA PRO 103 1.960 -8.500 -14.163 767 1HB PRO 103 1HB PRO 103 3.936 -7.714 -15.879 768 2HB PRO 103 2HB PRO 103 2.426 -8.422 -16.417 769 1HG PRO 103 1HG PRO 103 3.289 -5.597 -16.526 770 2HG PRO 103 2HG PRO 103 2.004 -6.388 -17.418 771 1HD PRO 103 1HD PRO 103 1.706 -4.656 -15.150 772 2HD PRO 103 2HD PRO 103 0.433 -5.538 -15.970 773 H GLN 104 H GLN 104 2.482 -5.650 -12.723 774 HA GLN 104 HA GLN 104 5.206 -5.885 -12.133 775 1HB GLN 104 1HB GLN 104 3.029 -4.461 -10.539 776 2HB GLN 104 2HB GLN 104 4.753 -4.163 -10.424 777 1HG GLN 104 1HG GLN 104 3.596 -3.987 -13.180 778 2HG GLN 104 2HG GLN 104 3.066 -2.748 -12.059 779 1HE2 GLN 104 1HE2 GLN 104 4.634 -1.448 -10.981 780 2HE2 GLN 104 2HE2 GLN 104 6.181 -1.132 -11.693 781 H GLY 105 H GLY 105 2.277 -6.463 -10.041 782 1HA GLY 105 1HA GLY 105 1.894 -8.123 -8.541 783 2HA GLY 105 2HA GLY 105 3.417 -8.875 -8.970 784 H ILE 106 H ILE 106 2.547 -8.696 -6.277 785 HA ILE 106 HA ILE 106 3.263 -6.550 -4.801 786 HB ILE 106 HB ILE 106 3.245 -9.484 -4.372 787 1HG1 ILE 106 1HG1 ILE 106 1.225 -8.042 -4.184 788 2HG1 ILE 106 2HG1 ILE 106 1.591 -8.948 -2.730 789 1HG2 ILE 106 1HG2 ILE 106 5.185 -9.231 -3.151 790 2HG2 ILE 106 2HG2 ILE 106 4.798 -7.561 -2.671 791 3HG2 ILE 106 3HG2 ILE 106 3.939 -8.927 -1.918 792 1HD1 ILE 106 1HD1 ILE 106 1.473 -6.051 -3.121 793 2HD1 ILE 106 2HD1 ILE 106 1.506 -6.983 -1.604 794 3HD1 ILE 106 3HD1 ILE 106 3.030 -6.545 -2.412 795 H ARG 107 H ARG 107 5.357 -8.684 -6.671 796 HA ARG 107 HA ARG 107 7.713 -8.506 -5.474 797 1HB ARG 107 1HB ARG 107 7.053 -9.451 -7.824 798 2HB ARG 107 2HB ARG 107 7.456 -7.862 -8.443 799 1HG ARG 107 1HG ARG 107 9.470 -9.191 -6.639 800 2HG ARG 107 2HG ARG 107 9.286 -9.843 -8.256 801 1HD ARG 107 1HD ARG 107 9.363 -7.083 -8.719 802 2HD ARG 107 2HD ARG 107 10.491 -7.278 -7.392 803 HE ARG 107 HE ARG 107 11.054 -9.335 -9.270 804 1HH1 ARG 107 2HH2 ARG 107 11.184 -5.822 -9.087 805 2HH1 ARG 107 1HH2 ARG 107 12.484 -5.684 -10.223 806 1HH2 ARG 107 2HH1 ARG 107 12.771 -9.152 -10.768 807 2HH2 ARG 107 1HH1 ARG 107 13.393 -7.591 -11.185 808 H ALA 108 H ALA 108 5.979 -5.885 -7.198 809 HA ALA 108 HA ALA 108 7.938 -4.047 -7.586 810 1HB ALA 108 1HB ALA 108 6.197 -2.473 -7.706 811 2HB ALA 108 2HB ALA 108 5.369 -4.013 -8.039 812 3HB ALA 108 3HB ALA 108 5.255 -3.272 -6.424 813 H TRP 109 H TRP 109 6.454 -5.114 -4.523 814 HA TRP 109 HA TRP 109 7.948 -3.056 -3.088 815 1HB TRP 109 1HB TRP 109 5.757 -4.961 -2.264 816 2HB TRP 109 2HB TRP 109 6.656 -3.983 -1.121 817 HD1 TRP 109 HD TRP 109 6.407 -1.181 -1.554 818 HE1 TRP 109 1HE TRP 109 4.347 0.276 -2.325 819 HE3 TRP 109 3HE TRP 109 3.798 -5.021 -3.630 820 HZ2 TRP 109 2HZ TRP 109 1.912 -0.325 -3.686 821 HZ3 TRP 109 3HZ TRP 109 1.587 -4.500 -4.658 822 HH2 TRP 109 HH TRP 109 0.639 -2.248 -4.709 823 H VAL 110 H VAL 110 9.558 -4.911 -4.449 824 HA VAL 110 HA VAL 110 10.186 -7.275 -3.353 825 HB VAL 110 HB VAL 110 11.261 -6.163 -5.284 826 1HG1 VAL 110 1HG1 VAL 110 13.259 -4.851 -3.488 827 2HG1 VAL 110 2HG1 VAL 110 12.744 -4.422 -5.137 828 3HG1 VAL 110 3HG1 VAL 110 11.700 -4.031 -3.749 829 1HG2 VAL 110 1HG2 VAL 110 12.201 -8.213 -4.247 830 2HG2 VAL 110 2HG2 VAL 110 13.446 -7.184 -4.996 831 3HG2 VAL 110 3HG2 VAL 110 13.245 -7.191 -3.228 832 H ALA 111 H ALA 111 10.520 -4.087 -1.864 833 HA ALA 111 HA ALA 111 12.426 -4.465 0.019 834 1HB ALA 111 1HB ALA 111 11.357 -2.724 1.219 835 2HB ALA 111 2HB ALA 111 10.880 -2.455 -0.474 836 3HB ALA 111 3HB ALA 111 9.740 -3.216 0.661 837 H TRP 112 H TRP 112 8.945 -5.475 0.238 838 HA TRP 112 HA TRP 112 9.135 -6.621 2.764 839 1HB TRP 112 1HB TRP 112 6.966 -6.699 2.387 840 2HB TRP 112 2HB TRP 112 7.207 -6.373 0.682 841 HD1 TRP 112 HD TRP 112 7.264 -8.563 -0.979 842 HE1 TRP 112 1HE TRP 112 6.335 -11.027 -0.791 843 HE3 TRP 112 3HE TRP 112 6.610 -8.492 4.063 844 HZ2 TRP 112 2HZ TRP 112 5.451 -12.633 1.397 845 HZ3 TRP 112 3HZ TRP 112 5.709 -10.549 5.147 846 HH2 TRP 112 HH TRP 112 5.135 -12.570 3.898 847 H ARG 113 H ARG 113 9.991 -7.765 -0.515 848 HA ARG 113 HA ARG 113 10.328 -10.438 0.318 849 1HB ARG 113 1HB ARG 113 9.927 -9.402 -2.095 850 2HB ARG 113 2HB ARG 113 11.671 -9.238 -2.130 851 1HG ARG 113 1HG ARG 113 11.738 -11.755 -1.432 852 2HG ARG 113 2HG ARG 113 10.042 -11.795 -1.869 853 1HD ARG 113 1HD ARG 113 11.104 -10.539 -4.085 854 2HD ARG 113 2HD ARG 113 12.446 -11.568 -3.626 855 HE ARG 113 HE ARG 113 9.911 -12.439 -4.744 856 1HH1 ARG 113 2HH2 ARG 113 12.516 -13.417 -2.587 857 2HH1 ARG 113 1HH2 ARG 113 12.241 -15.111 -2.819 858 1HH2 ARG 113 2HH1 ARG 113 9.550 -14.675 -5.048 859 2HH2 ARG 113 1HH1 ARG 113 10.544 -15.831 -4.228 860 H ALA 114 H ALA 114 12.108 -7.562 0.795 861 HA ALA 114 HA ALA 114 14.551 -9.124 1.284 862 1HB ALA 114 1HB ALA 114 14.199 -6.352 0.093 863 2HB ALA 114 2HB ALA 114 15.747 -6.928 0.758 864 3HB ALA 114 3HB ALA 114 15.008 -7.763 -0.628 865 H HIS 115 H HIS 115 12.221 -8.587 3.044 866 HA HIS 115 HA HIS 115 13.737 -7.427 5.195 867 1HB HIS 115 1HB HIS 115 12.161 -5.696 3.786 868 2HB HIS 115 2HB HIS 115 11.030 -6.251 5.006 869 HD1 HIS 115 1HD HIS 115 14.738 -5.221 5.149 870 HD2 HIS 115 2HD HIS 115 11.088 -4.506 7.088 871 HE1 HIS 115 1HE HIS 115 15.240 -3.580 7.036 872 HE2 HIS 115 2HE HIS 115 12.951 -3.136 8.157 873 H CYS 116 H CYS 116 10.543 -8.687 4.040 874 HA CYS 116 HA CYS 116 10.097 -9.857 6.643 875 1HB CYS 116 1HB CYS 116 8.463 -9.084 4.377 876 2HB CYS 116 2HB CYS 116 8.102 -10.725 4.875 877 H GLN 117 H GLN 117 10.238 -10.918 3.157 878 HA GLN 117 HA GLN 117 10.096 -13.535 3.386 879 1HB GLN 117 1HB GLN 117 10.585 -12.138 1.302 880 2HB GLN 117 2HB GLN 117 12.282 -12.201 1.735 881 1HG GLN 117 1HG GLN 117 10.870 -14.837 1.719 882 2HG GLN 117 2HG GLN 117 11.036 -14.067 0.154 883 1HE2 GLN 117 1HE2 GLN 117 12.422 -15.761 -0.462 884 2HE2 GLN 117 2HE2 GLN 117 14.088 -15.804 0.009 885 H ASN 118 H ASN 118 12.753 -11.513 4.579 886 HA ASN 118 HA ASN 118 14.790 -13.234 4.771 887 1HB ASN 118 1HB ASN 118 14.386 -10.757 5.715 888 2HB ASN 118 2HB ASN 118 14.060 -11.596 7.219 889 1HD2 ASN 118 1HD2 ASN 118 16.411 -11.199 4.613 890 2HD2 ASN 118 2HD2 ASN 118 17.837 -11.554 5.529 891 H ARG 119 H ARG 119 12.139 -12.736 7.231 892 HA ARG 119 HA ARG 119 12.612 -15.482 8.063 893 1HB ARG 119 1HB ARG 119 13.334 -13.423 9.654 894 2HB ARG 119 2HB ARG 119 11.632 -13.448 10.073 895 1HG ARG 119 1HG ARG 119 11.843 -15.369 11.288 896 2HG ARG 119 2HG ARG 119 12.786 -16.159 10.039 897 1HD ARG 119 1HD ARG 119 14.644 -15.875 11.314 898 2HD ARG 119 2HD ARG 119 14.493 -14.142 11.101 899 HE ARG 119 HE ARG 119 12.667 -15.018 13.148 900 1HH1 ARG 119 2HH2 ARG 119 16.099 -14.484 12.578 901 2HH1 ARG 119 1HH2 ARG 119 16.458 -14.178 14.244 902 1HH2 ARG 119 2HH1 ARG 119 13.141 -14.614 15.347 903 2HH2 ARG 119 1HH1 ARG 119 14.765 -14.253 15.830 904 H ASP 120 H ASP 120 10.488 -15.681 9.942 905 HA ASP 120 HA ASP 120 8.276 -15.591 8.110 906 1HB ASP 120 1HB ASP 120 8.869 -17.612 9.561 907 2HB ASP 120 2HB ASP 120 8.390 -16.675 10.963 908 H LEU 121 H LEU 121 7.315 -13.524 8.093 909 HA LEU 121 HA LEU 121 7.016 -12.155 10.652 910 1HB LEU 121 1HB LEU 121 8.040 -11.088 8.578 911 2HB LEU 121 2HB LEU 121 6.424 -11.082 7.899 912 HG LEU 121 HG LEU 121 6.392 -9.916 10.549 913 1HD1 LEU 121 1HD1 LEU 121 8.694 -9.231 8.877 914 2HD1 LEU 121 2HD1 LEU 121 7.707 -7.822 9.334 915 3HD1 LEU 121 3HD1 LEU 121 8.373 -8.889 10.594 916 1HD2 LEU 121 1HD2 LEU 121 4.716 -8.867 9.550 917 2HD2 LEU 121 2HD2 LEU 121 5.873 -8.002 8.508 918 3HD2 LEU 121 3HD2 LEU 121 5.196 -9.564 7.984 919 H SER 122 H SER 122 5.469 -14.619 9.590 920 HA SER 122 HA SER 122 2.889 -13.657 9.031 921 1HB SER 122 1HB SER 122 4.233 -16.251 9.371 922 2HB SER 122 2HB SER 122 2.614 -16.269 10.041 923 HG SER 122 HG SER 122 1.812 -15.475 7.980 924 H GLN 123 H GLN 123 4.782 -14.060 11.933 925 HA GLN 123 HA GLN 123 2.570 -14.444 13.663 926 1HB GLN 123 1HB GLN 123 4.921 -15.203 14.156 927 2HB GLN 123 2HB GLN 123 5.407 -13.528 14.312 928 1HG GLN 123 1HG GLN 123 3.030 -14.020 15.933 929 2HG GLN 123 2HG GLN 123 4.270 -15.194 16.326 930 1HE2 GLN 123 1HE2 GLN 123 3.269 -11.910 16.446 931 2HE2 GLN 123 2HE2 GLN 123 4.583 -11.257 17.366 932 H TYR 124 H TYR 124 3.706 -11.799 11.862 933 HA TYR 124 HA TYR 124 3.282 -9.739 13.785 934 1HB TYR 124 1HB TYR 124 4.532 -10.041 11.349 935 2HB TYR 124 2HB TYR 124 3.002 -9.405 10.778 936 HD1 TYR 124 1HD TYR 124 3.365 -7.207 10.106 937 HD2 TYR 124 2HD TYR 124 5.039 -8.540 13.810 938 HE1 TYR 124 1HE TYR 124 4.168 -4.845 10.600 939 HE2 TYR 124 2HE TYR 124 5.835 -6.175 14.293 940 HH TYR 124 HH TYR 124 5.063 -3.837 13.585 941 H ILE 125 H ILE 125 1.240 -11.646 11.638 942 HA ILE 125 HA ILE 125 -0.948 -9.743 12.085 943 HB ILE 125 HB ILE 125 -2.046 -11.075 10.235 944 1HG1 ILE 125 1HG1 ILE 125 0.625 -11.919 9.258 945 2HG1 ILE 125 2HG1 ILE 125 -0.031 -12.861 10.582 946 1HG2 ILE 125 1HG2 ILE 125 -1.506 -9.096 9.340 947 2HG2 ILE 125 2HG2 ILE 125 0.111 -9.087 10.080 948 3HG2 ILE 125 3HG2 ILE 125 -0.170 -9.981 8.567 949 1HD1 ILE 125 1HD1 ILE 125 -1.301 -13.968 9.071 950 2HD1 ILE 125 2HD1 ILE 125 -2.218 -12.463 8.823 951 3HD1 ILE 125 3HD1 ILE 125 -0.827 -12.839 7.779 952 H ARG 126 H ARG 126 0.296 -13.003 12.686 953 HA ARG 126 HA ARG 126 -2.192 -14.011 13.540 954 1HB ARG 126 1HB ARG 126 -0.204 -15.387 12.705 955 2HB ARG 126 2HB ARG 126 0.607 -15.040 14.219 956 1HG ARG 126 1HG ARG 126 -0.432 -16.865 15.083 957 2HG ARG 126 2HG ARG 126 -1.922 -15.944 15.041 958 1HD ARG 126 1HD ARG 126 -2.329 -16.748 12.686 959 2HD ARG 126 2HD ARG 126 -0.863 -17.705 12.775 960 HE ARG 126 HE ARG 126 -2.575 -18.313 15.020 961 1HH1 ARG 126 2HH2 ARG 126 -2.247 -18.874 11.561 962 2HH1 ARG 126 1HH2 ARG 126 -3.116 -20.372 11.593 963 1HH2 ARG 126 2HH1 ARG 126 -3.720 -20.289 15.061 964 2HH2 ARG 126 1HH1 ARG 126 -3.959 -21.183 13.597 965 H ASN 127 H ASN 127 -0.313 -11.599 14.811 966 HA ASN 127 HA ASN 127 -0.328 -12.461 17.532 967 1HB ASN 127 1HB ASN 127 0.475 -10.051 17.924 968 2HB ASN 127 2HB ASN 127 1.499 -11.011 16.872 969 1HD2 ASN 127 1HD2 ASN 127 2.280 -8.987 16.087 970 2HD2 ASN 127 2HD2 ASN 127 1.426 -8.112 14.861 971 H CYS 128 H CYS 128 -2.398 -10.782 15.244 972 HA CYS 128 HA CYS 128 -3.823 -9.234 17.147 973 1HB CYS 128 1HB CYS 128 -3.593 -9.193 14.435 974 2HB CYS 128 2HB CYS 128 -5.159 -9.957 14.612 975 H GLY 129 H GLY 129 -3.835 -12.559 15.970 976 1HA GLY 129 1HA GLY 129 -4.871 -14.256 17.240 977 2HA GLY 129 2HA GLY 129 -6.128 -13.135 17.723 978 H VAL 130 H VAL 130 -4.910 -13.303 14.368 979 HA VAL 130 HA VAL 130 -7.587 -14.040 13.521 980 HB VAL 130 HB VAL 130 -5.149 -12.854 12.251 981 1HG1 VAL 130 1HG1 VAL 130 -7.491 -14.012 10.700 982 2HG1 VAL 130 2HG1 VAL 130 -6.136 -13.075 10.026 983 3HG1 VAL 130 3HG1 VAL 130 -5.842 -14.680 10.738 984 1HG2 VAL 130 1HG2 VAL 130 -7.999 -11.974 11.859 985 2HG2 VAL 130 2HG2 VAL 130 -7.151 -11.602 13.379 986 3HG2 VAL 130 3HG2 VAL 130 -6.500 -11.015 11.829 Start of MODEL 4 1 H LYS 1 H LYS 1 -4.733 7.286 6.700 2 HA LYS 1 HA LYS 1 -3.793 9.588 8.220 3 1HB LYS 1 1HB LYS 1 -6.204 9.332 7.951 4 2HB LYS 1 2HB LYS 1 -6.144 7.718 8.627 5 1HG LYS 1 1HG LYS 1 -4.811 9.344 10.530 6 2HG LYS 1 2HG LYS 1 -6.183 10.303 10.010 7 1HD LYS 1 1HD LYS 1 -7.343 7.799 10.301 8 2HD LYS 1 2HD LYS 1 -6.130 7.768 11.565 9 1HE LYS 1 1HE LYS 1 -7.540 10.350 11.495 10 2HE LYS 1 2HE LYS 1 -8.659 9.016 11.695 11 1HZ LYS 1 1HZ LYS 1 -7.590 9.970 13.750 12 2HZ LYS 1 2HZ LYS 1 -7.587 8.342 13.614 13 3HZ LYS 1 3HZ LYS 1 -6.224 9.190 13.306 14 H VAL 2 H VAL 2 -5.052 6.887 10.016 15 HA VAL 2 HA VAL 2 -2.321 6.090 10.734 16 HB VAL 2 HB VAL 2 -4.617 6.782 12.573 17 1HG1 VAL 2 1HG1 VAL 2 -3.084 6.137 14.424 18 2HG1 VAL 2 2HG1 VAL 2 -3.573 4.760 13.408 19 3HG1 VAL 2 3HG1 VAL 2 -1.954 5.475 13.220 20 1HG2 VAL 2 1HG2 VAL 2 -2.165 8.013 13.323 21 2HG2 VAL 2 2HG2 VAL 2 -2.374 8.268 11.574 22 3HG2 VAL 2 3HG2 VAL 2 -3.646 8.785 12.706 23 H TYR 3 H TYR 3 -2.005 3.903 10.774 24 HA TYR 3 HA TYR 3 -4.236 2.142 11.230 25 1HB TYR 3 1HB TYR 3 -2.943 2.770 8.559 26 2HB TYR 3 2HB TYR 3 -3.248 1.073 8.874 27 HD1 TYR 3 1HD TYR 3 -4.858 4.391 8.484 28 HD2 TYR 3 2HD TYR 3 -5.469 0.166 8.782 29 HE1 TYR 3 1HE TYR 3 -7.272 4.679 7.739 30 HE2 TYR 3 2HE TYR 3 -7.880 0.470 8.035 31 HH TYR 3 HH TYR 3 -9.104 2.269 6.595 32 H GLU 4 H GLU 4 -3.451 0.551 12.511 33 HA GLU 4 HA GLU 4 -0.597 0.038 12.315 34 1HB GLU 4 1HB GLU 4 -0.720 -0.798 14.581 35 2HB GLU 4 2HB GLU 4 -1.573 0.732 14.534 36 1HG GLU 4 1HG GLU 4 -3.743 -0.394 14.451 37 2HG GLU 4 2HG GLU 4 -2.983 -1.958 14.235 38 H ARG 5 H ARG 5 0.042 -2.353 12.799 39 HA ARG 5 HA ARG 5 -0.641 -3.935 10.825 40 1HB ARG 5 1HB ARG 5 -0.269 -5.891 12.638 41 2HB ARG 5 2HB ARG 5 1.053 -4.857 12.131 42 1HG ARG 5 1HG ARG 5 -0.411 -3.549 14.278 43 2HG ARG 5 2HG ARG 5 -0.003 -5.180 14.771 44 1HD ARG 5 1HD ARG 5 2.401 -4.656 13.895 45 2HD ARG 5 2HD ARG 5 1.895 -2.978 13.865 46 HE ARG 5 HE ARG 5 2.032 -2.929 16.197 47 1HH1 ARG 5 2HH2 ARG 5 1.819 -6.278 15.141 48 2HH1 ARG 5 1HH2 ARG 5 2.079 -6.928 16.726 49 1HH2 ARG 5 2HH1 ARG 5 2.374 -3.785 18.288 50 2HH2 ARG 5 1HH1 ARG 5 2.396 -5.500 18.527 51 H CYS 6 H CYS 6 -2.093 -4.450 14.132 52 HA CYS 6 HA CYS 6 -3.994 -6.231 13.489 53 1HB CYS 6 1HB CYS 6 -3.609 -4.252 15.597 54 2HB CYS 6 2HB CYS 6 -5.306 -4.565 15.289 55 H GLU 7 H GLU 7 -4.776 -2.693 13.860 56 HA GLU 7 HA GLU 7 -7.164 -2.590 12.803 57 1HB GLU 7 1HB GLU 7 -4.859 -0.744 12.840 58 2HB GLU 7 2HB GLU 7 -5.995 -0.382 11.555 59 1HG GLU 7 1HG GLU 7 -7.203 -0.993 14.229 60 2HG GLU 7 2HG GLU 7 -6.292 0.501 14.127 61 H PHE 8 H PHE 8 -4.262 -2.073 10.658 62 HA PHE 8 HA PHE 8 -5.518 -2.144 8.268 63 1HB PHE 8 1HB PHE 8 -2.873 -2.476 9.414 64 2HB PHE 8 2HB PHE 8 -3.054 -3.730 8.204 65 HD1 PHE 8 1HD PHE 8 -1.852 -0.557 8.679 66 HD2 PHE 8 2HD PHE 8 -4.260 -2.737 5.947 67 HE1 PHE 8 1HE PHE 8 -1.309 1.103 6.876 68 HE2 PHE 8 2HE PHE 8 -3.717 -1.076 4.144 69 HZ PHE 8 HZ PHE 8 -2.248 0.823 4.630 70 H ALA 9 H ALA 9 -4.251 -5.004 10.112 71 HA ALA 9 HA ALA 9 -4.850 -6.947 8.270 72 1HB ALA 9 1HB ALA 9 -4.804 -8.472 10.178 73 2HB ALA 9 2HB ALA 9 -3.556 -7.220 10.386 74 3HB ALA 9 3HB ALA 9 -5.079 -7.119 11.302 75 H ARG 10 H ARG 10 -6.947 -5.656 10.942 76 HA ARG 10 HA ARG 10 -9.106 -7.238 10.374 77 1HB ARG 10 1HB ARG 10 -8.759 -5.740 12.408 78 2HB ARG 10 2HB ARG 10 -9.186 -4.361 11.414 79 1HG ARG 10 1HG ARG 10 -11.420 -5.345 10.960 80 2HG ARG 10 2HG ARG 10 -10.997 -6.779 11.873 81 1HD ARG 10 1HD ARG 10 -10.975 -5.603 13.954 82 2HD ARG 10 2HD ARG 10 -10.834 -4.039 13.177 83 HE ARG 10 HE ARG 10 -13.295 -5.517 12.510 84 1HH1 ARG 10 2HH2 ARG 10 -11.782 -3.163 14.644 85 2HH1 ARG 10 1HH2 ARG 10 -13.285 -2.453 15.134 86 1HH2 ARG 10 2HH1 ARG 10 -15.276 -4.579 13.156 87 2HH2 ARG 10 1HH1 ARG 10 -15.285 -3.264 14.282 88 H THR 11 H THR 11 -8.327 -3.867 9.256 89 HA THR 11 HA THR 11 -10.616 -3.485 7.716 90 HB THR 11 HB THR 11 -7.762 -2.394 7.596 91 HG1 THR 11 1HG THR 11 -8.743 -1.367 9.296 92 1HG2 THR 11 1HG2 THR 11 -8.319 -1.282 5.679 93 2HG2 THR 11 2HG2 THR 11 -9.919 -2.063 5.663 94 3HG2 THR 11 3HG2 THR 11 -9.680 -0.541 6.555 95 H LEU 12 H LEU 12 -7.349 -4.676 6.680 96 HA LEU 12 HA LEU 12 -7.958 -5.062 4.039 97 1HB LEU 12 1HB LEU 12 -5.871 -5.683 5.833 98 2HB LEU 12 2HB LEU 12 -6.276 -7.182 5.019 99 HG LEU 12 HG LEU 12 -6.137 -5.714 2.840 100 1HD1 LEU 12 1HD1 LEU 12 -4.785 -3.813 2.885 101 2HD1 LEU 12 2HD1 LEU 12 -5.847 -3.615 4.301 102 3HD1 LEU 12 3HD1 LEU 12 -4.168 -4.168 4.517 103 1HD2 LEU 12 1HD2 LEU 12 -4.703 -7.633 3.382 104 2HD2 LEU 12 2HD2 LEU 12 -3.794 -6.323 2.591 105 3HD2 LEU 12 3HD2 LEU 12 -3.651 -6.570 4.348 106 H LYS 13 H LYS 13 -8.402 -7.358 6.809 107 HA LYS 13 HA LYS 13 -9.525 -9.378 5.202 108 1HB LYS 13 1HB LYS 13 -8.519 -9.292 7.697 109 2HB LYS 13 2HB LYS 13 -10.224 -9.193 8.093 110 1HG LYS 13 1HG LYS 13 -9.748 -11.208 6.013 111 2HG LYS 13 2HG LYS 13 -8.767 -11.528 7.429 112 1HD LYS 13 1HD LYS 13 -10.756 -11.474 8.884 113 2HD LYS 13 2HD LYS 13 -11.770 -10.986 7.542 114 1HE LYS 13 1HE LYS 13 -10.613 -13.275 6.509 115 2HE LYS 13 2HE LYS 13 -10.685 -13.682 8.213 116 1HZ LYS 13 1HZ LYS 13 -12.782 -14.182 7.783 117 2HZ LYS 13 2HZ LYS 13 -13.090 -12.579 7.735 118 3HZ LYS 13 3HZ LYS 13 -12.807 -13.398 6.350 119 H ARG 14 H ARG 14 -10.778 -6.424 6.690 120 HA ARG 14 HA ARG 14 -13.474 -7.271 6.475 121 1HB ARG 14 1HB ARG 14 -12.560 -5.552 8.143 122 2HB ARG 14 2HB ARG 14 -12.399 -4.429 6.809 123 1HG ARG 14 1HG ARG 14 -14.650 -4.007 6.727 124 2HG ARG 14 2HG ARG 14 -15.071 -5.696 6.920 125 1HD ARG 14 1HD ARG 14 -14.667 -5.556 9.362 126 2HD ARG 14 2HD ARG 14 -14.122 -3.899 9.204 127 HE ARG 14 HE ARG 14 -16.354 -3.192 9.007 128 1HH1 ARG 14 2HH2 ARG 14 -16.183 -6.683 8.601 129 2HH1 ARG 14 1HH2 ARG 14 -17.901 -6.901 8.641 130 1HH2 ARG 14 2HH1 ARG 14 -18.621 -3.478 9.059 131 2HH2 ARG 14 1HH1 ARG 14 -19.297 -5.065 8.904 132 H ASN 15 H ASN 15 -11.058 -5.838 4.387 133 HA ASN 15 HA ASN 15 -13.017 -4.670 2.648 134 1HB ASN 15 1HB ASN 15 -10.366 -4.087 3.186 135 2HB ASN 15 2HB ASN 15 -10.192 -5.015 1.709 136 1HD2 ASN 15 1HD2 ASN 15 -11.332 -2.110 3.182 137 2HD2 ASN 15 2HD2 ASN 15 -11.767 -1.237 1.750 138 H GLY 16 H GLY 16 -10.763 -7.473 2.875 139 1HA GLY 16 1HA GLY 16 -11.395 -9.559 1.919 140 2HA GLY 16 2HA GLY 16 -12.158 -8.712 0.590 141 H MET 17 H MET 17 -8.916 -8.169 2.121 142 HA MET 17 HA MET 17 -7.764 -8.893 -0.461 143 1HB MET 17 1HB MET 17 -7.576 -6.492 -0.334 144 2HB MET 17 2HB MET 17 -7.231 -6.523 1.384 145 1HG MET 17 1HG MET 17 -4.987 -6.838 1.051 146 2HG MET 17 2HG MET 17 -5.245 -8.051 -0.186 147 1HE MET 17 1HE MET 17 -3.251 -4.701 -0.305 148 2HE MET 17 2HE MET 17 -4.672 -3.634 -0.412 149 3HE MET 17 3HE MET 17 -4.534 -4.804 0.923 150 H ALA 18 H ALA 18 -7.414 -8.680 3.106 151 HA ALA 18 HA ALA 18 -4.881 -9.654 3.423 152 1HB ALA 18 1HB ALA 18 -6.208 -10.808 5.506 153 2HB ALA 18 2HB ALA 18 -5.778 -9.082 5.440 154 3HB ALA 18 3HB ALA 18 -7.414 -9.610 4.980 155 H GLY 19 H GLY 19 -3.938 -11.395 2.483 156 1HA GLY 19 1HA GLY 19 -3.583 -13.615 2.121 157 2HA GLY 19 2HA GLY 19 -5.161 -13.992 2.782 158 H TYR 20 H TYR 20 -4.597 -11.565 0.200 159 HA TYR 20 HA TYR 20 -6.607 -12.407 -1.437 160 1HB TYR 20 1HB TYR 20 -4.975 -10.341 -1.441 161 2HB TYR 20 2HB TYR 20 -3.844 -11.368 -2.300 162 HD1 TYR 20 1HD TYR 20 -7.457 -10.356 -2.552 163 HD2 TYR 20 2HD TYR 20 -3.794 -11.173 -4.607 164 HE1 TYR 20 1HE TYR 20 -8.545 -9.719 -4.760 165 HE2 TYR 20 2HE TYR 20 -4.895 -10.532 -6.809 166 HH TYR 20 HH TYR 20 -7.017 -8.864 -7.340 167 H TYR 21 H TYR 21 -6.032 -13.082 -3.914 168 HA TYR 21 HA TYR 21 -5.783 -15.713 -4.073 169 1HB TYR 21 1HB TYR 21 -5.220 -13.319 -5.733 170 2HB TYR 21 2HB TYR 21 -4.203 -14.658 -6.228 171 HD1 TYR 21 1HD TYR 21 -7.622 -13.359 -6.095 172 HD2 TYR 21 2HD TYR 21 -5.199 -16.723 -7.152 173 HE1 TYR 21 1HE TYR 21 -9.545 -14.328 -7.447 174 HE2 TYR 21 2HE TYR 21 -7.129 -17.680 -8.501 175 HH TYR 21 HH TYR 21 -10.269 -16.571 -8.191 176 H GLY 22 H GLY 22 -2.932 -13.463 -4.247 177 1HA GLY 22 1HA GLY 22 -1.225 -15.787 -3.583 178 2HA GLY 22 2HA GLY 22 -0.737 -14.456 -4.612 179 H VAL 23 H VAL 23 -1.298 -12.147 -3.412 180 HA VAL 23 HA VAL 23 0.576 -11.842 -1.456 181 HB VAL 23 HB VAL 23 -1.950 -10.205 -1.689 182 1HG1 VAL 23 1HG1 VAL 23 -0.721 -9.347 0.094 183 2HG1 VAL 23 2HG1 VAL 23 0.843 -9.704 -0.675 184 3HG1 VAL 23 3HG1 VAL 23 -0.157 -8.360 -1.275 185 1HG2 VAL 23 1HG2 VAL 23 0.188 -10.667 -3.664 186 2HG2 VAL 23 2HG2 VAL 23 -1.449 -10.004 -3.876 187 3HG2 VAL 23 3HG2 VAL 23 -0.128 -8.951 -3.313 188 H SER 24 H SER 24 0.756 -12.490 0.624 189 HA SER 24 HA SER 24 -1.607 -13.590 1.843 190 1HB SER 24 1HB SER 24 1.233 -14.088 1.971 191 2HB SER 24 2HB SER 24 0.679 -13.705 3.589 192 HG SER 24 HG SER 24 0.124 -15.788 3.589 193 H LEU 25 H LEU 25 -2.539 -12.810 3.802 194 HA LEU 25 HA LEU 25 -2.677 -10.150 4.215 195 1HB LEU 25 1HB LEU 25 -4.247 -11.603 5.204 196 2HB LEU 25 2HB LEU 25 -3.015 -12.468 6.103 197 HG LEU 25 HG LEU 25 -2.757 -10.736 7.674 198 1HD1 LEU 25 1HD1 LEU 25 -2.588 -8.677 6.803 199 2HD1 LEU 25 2HD1 LEU 25 -3.749 -9.017 5.498 200 3HD1 LEU 25 3HD1 LEU 25 -4.336 -8.581 7.121 201 1HD2 LEU 25 1HD2 LEU 25 -5.305 -11.847 7.162 202 2HD2 LEU 25 2HD2 LEU 25 -4.653 -11.242 8.704 203 3HD2 LEU 25 3HD2 LEU 25 -5.567 -10.151 7.637 204 H ALA 26 H ALA 26 -0.376 -12.447 5.809 205 HA ALA 26 HA ALA 26 0.853 -10.575 7.446 206 1HB ALA 26 1HB ALA 26 1.192 -12.922 7.798 207 2HB ALA 26 2HB ALA 26 1.813 -13.147 6.145 208 3HB ALA 26 3HB ALA 26 2.774 -12.245 7.341 209 H ASP 27 H ASP 27 1.411 -11.482 4.007 210 HA ASP 27 HA ASP 27 3.755 -10.021 3.730 211 1HB ASP 27 1HB ASP 27 1.621 -10.655 1.636 212 2HB ASP 27 2HB ASP 27 3.267 -10.168 1.283 213 H TRP 28 H TRP 28 0.255 -9.253 3.440 214 HA TRP 28 HA TRP 28 0.518 -6.766 2.180 215 1HB TRP 28 1HB TRP 28 -1.600 -8.155 3.765 216 2HB TRP 28 2HB TRP 28 -1.772 -6.440 3.450 217 HD1 TRP 28 HD TRP 28 -2.961 -9.487 1.989 218 HE1 TRP 28 1HE TRP 28 -3.520 -9.367 -0.587 219 HE3 TRP 28 3HE TRP 28 -0.394 -5.189 1.097 220 HZ2 TRP 28 2HZ TRP 28 -2.841 -7.529 -2.663 221 HZ3 TRP 28 3HZ TRP 28 -0.393 -4.299 -1.232 222 HH2 TRP 28 HH TRP 28 -1.561 -5.396 -3.078 223 H VAL 29 H VAL 29 0.082 -7.692 5.675 224 HA VAL 29 HA VAL 29 0.349 -5.111 6.674 225 HB VAL 29 HB VAL 29 0.732 -7.877 7.783 226 1HG1 VAL 29 1HG1 VAL 29 2.340 -6.375 8.941 227 2HG1 VAL 29 2HG1 VAL 29 0.985 -5.310 9.387 228 3HG1 VAL 29 3HG1 VAL 29 1.052 -6.974 10.013 229 1HG2 VAL 29 1HG2 VAL 29 -1.282 -5.697 8.425 230 2HG2 VAL 29 2HG2 VAL 29 -1.554 -7.034 7.284 231 3HG2 VAL 29 3HG2 VAL 29 -1.299 -7.377 9.011 232 H CYS 30 H CYS 30 2.832 -7.773 6.684 233 HA CYS 30 HA CYS 30 4.940 -6.353 7.556 234 1HB CYS 30 1HB CYS 30 6.240 -8.078 6.880 235 2HB CYS 30 2HB CYS 30 4.668 -8.843 6.754 236 H LEU 31 H LEU 31 3.574 -6.504 4.214 237 HA LEU 31 HA LEU 31 5.549 -5.011 2.954 238 1HB LEU 31 1HB LEU 31 4.071 -6.246 1.632 239 2HB LEU 31 2HB LEU 31 2.650 -5.560 2.397 240 HG LEU 31 HG LEU 31 3.180 -3.363 1.340 241 1HD1 LEU 31 1HD1 LEU 31 4.988 -4.524 -0.665 242 2HD1 LEU 31 2HD1 LEU 31 5.026 -2.940 0.146 243 3HD1 LEU 31 3HD1 LEU 31 5.694 -4.374 0.961 244 1HD2 LEU 31 1HD2 LEU 31 2.001 -3.872 -0.527 245 2HD2 LEU 31 2HD2 LEU 31 3.032 -5.262 -0.943 246 3HD2 LEU 31 3HD2 LEU 31 1.798 -5.419 0.330 247 H ALA 32 H ALA 32 2.368 -3.939 4.346 248 HA ALA 32 HA ALA 32 2.866 -1.215 3.890 249 1HB ALA 32 1HB ALA 32 0.637 -1.551 4.247 250 2HB ALA 32 2HB ALA 32 0.912 -2.911 5.362 251 3HB ALA 32 3HB ALA 32 1.079 -1.237 5.943 252 H GLN 33 H GLN 33 4.110 -3.501 6.207 253 HA GLN 33 HA GLN 33 4.603 -1.606 8.243 254 1HB GLN 33 1HB GLN 33 4.408 -4.186 8.434 255 2HB GLN 33 2HB GLN 33 6.064 -4.245 7.863 256 1HG GLN 33 1HG GLN 33 5.333 -2.444 10.193 257 2HG GLN 33 2HG GLN 33 5.581 -4.157 10.461 258 1HE2 GLN 33 1HE2 GLN 33 7.540 -4.786 10.928 259 2HE2 GLN 33 2HE2 GLN 33 9.024 -3.973 10.555 260 H HIS 34 H HIS 34 6.730 -3.325 5.841 261 HA HIS 34 HA HIS 34 9.026 -1.906 6.500 262 1HB HIS 34 1HB HIS 34 8.678 -4.078 5.124 263 2HB HIS 34 2HB HIS 34 8.464 -3.009 3.752 264 HD1 HIS 34 1HD HIS 34 10.800 -1.081 5.400 265 HD2 HIS 34 2HD HIS 34 11.079 -4.871 3.623 266 HE1 HIS 34 1HE HIS 34 13.272 -1.451 4.891 267 HE2 HIS 34 2HE HIS 34 13.388 -3.817 3.850 268 H GLU 35 H GLU 35 6.170 -1.042 4.650 269 HA GLU 35 HA GLU 35 7.453 1.000 3.170 270 1HB GLU 35 1HB GLU 35 4.500 0.500 3.750 271 2HB GLU 35 2HB GLU 35 5.102 1.662 2.585 272 1HG GLU 35 1HG GLU 35 6.163 -1.131 2.326 273 2HG GLU 35 2HG GLU 35 4.467 -0.915 1.943 274 H SER 36 H SER 36 4.938 1.111 5.806 275 HA SER 36 HA SER 36 6.112 2.648 7.574 276 1HB SER 36 1HB SER 36 5.594 4.276 5.153 277 2HB SER 36 2HB SER 36 4.962 4.993 6.621 278 HG SER 36 HG SER 36 7.325 5.407 5.928 279 H ASN 37 H ASN 37 4.288 0.948 8.098 280 HA ASN 37 HA ASN 37 1.641 1.640 7.697 281 1HB ASN 37 1HB ASN 37 2.954 -0.541 8.725 282 2HB ASN 37 2HB ASN 37 2.369 0.169 10.217 283 1HD2 ASN 37 1HD2 ASN 37 0.797 -1.192 10.764 284 2HD2 ASN 37 2HD2 ASN 37 -0.624 -1.532 9.832 285 H TYR 38 H TYR 38 0.714 1.316 10.547 286 HA TYR 38 HA TYR 38 0.164 2.549 12.305 287 1HB TYR 38 1HB TYR 38 3.022 3.301 11.637 288 2HB TYR 38 2HB TYR 38 2.198 4.386 12.740 289 HD1 TYR 38 1HD TYR 38 0.937 3.159 14.758 290 HD2 TYR 38 2HD TYR 38 4.191 1.500 12.527 291 HE1 TYR 38 1HE TYR 38 1.471 1.590 16.686 292 HE2 TYR 38 2HE TYR 38 4.713 -0.062 14.463 293 HH TYR 38 HH TYR 38 3.228 0.334 17.549 294 H ASN 39 H ASN 39 1.998 4.834 10.139 295 HA ASN 39 HA ASN 39 -0.437 6.435 10.110 296 1HB ASN 39 1HB ASN 39 2.467 7.381 10.338 297 2HB ASN 39 2HB ASN 39 1.143 8.463 9.955 298 1HD2 ASN 39 1HD2 ASN 39 1.925 9.519 11.921 299 2HD2 ASN 39 2HD2 ASN 39 1.308 9.023 13.461 300 H THR 40 H THR 40 -0.737 7.652 8.059 301 HA THR 40 HA THR 40 0.801 6.466 5.853 302 HB THR 40 HB THR 40 -1.195 6.664 4.581 303 HG1 THR 40 1HG THR 40 -1.993 8.529 6.705 304 1HG2 THR 40 1HG2 THR 40 -2.209 6.476 7.467 305 2HG2 THR 40 2HG2 THR 40 -3.118 5.997 6.013 306 3HG2 THR 40 3HG2 THR 40 -1.659 5.094 6.489 307 H ARG 41 H ARG 41 2.275 8.321 7.170 308 HA ARG 41 HA ARG 41 1.768 10.850 5.922 309 1HB ARG 41 1HB ARG 41 2.560 10.828 8.256 310 2HB ARG 41 2HB ARG 41 3.966 9.879 7.814 311 1HG ARG 41 1HG ARG 41 5.120 11.713 7.098 312 2HG ARG 41 2HG ARG 41 3.753 12.330 6.193 313 1HD ARG 41 1HD ARG 41 2.759 12.978 8.539 314 2HD ARG 41 2HD ARG 41 4.388 12.738 9.139 315 HE ARG 41 HE ARG 41 3.461 14.937 7.450 316 1HH1 ARG 41 2HH2 ARG 41 6.276 13.061 8.422 317 2HH1 ARG 41 1HH2 ARG 41 7.406 14.311 8.023 318 1HH2 ARG 41 2HH1 ARG 41 4.952 16.587 6.924 319 2HH2 ARG 41 1HH1 ARG 41 6.648 16.331 7.165 320 H ALA 42 H ALA 42 3.538 7.919 5.331 321 HA ALA 42 HA ALA 42 5.853 8.582 4.165 322 1HB ALA 42 1HB ALA 42 5.732 6.425 3.536 323 2HB ALA 42 2HB ALA 42 4.056 6.407 4.135 324 3HB ALA 42 3HB ALA 42 4.387 6.771 2.424 325 H THR 43 H THR 43 6.171 10.491 3.069 326 HA THR 43 HA THR 43 4.821 10.705 0.495 327 HB THR 43 HB THR 43 4.470 13.220 1.089 328 HG1 THR 43 1HG THR 43 5.750 13.141 3.053 329 1HG2 THR 43 1HG2 THR 43 2.453 11.876 1.018 330 2HG2 THR 43 2HG2 THR 43 2.921 10.985 2.486 331 3HG2 THR 43 3HG2 THR 43 2.434 12.693 2.599 332 H ASN 44 H ASN 44 6.121 11.430 -1.120 333 HA ASN 44 HA ASN 44 8.526 12.810 -0.366 334 1HB ASN 44 1HB ASN 44 8.606 10.023 -0.757 335 2HB ASN 44 2HB ASN 44 9.093 10.651 -2.319 336 1HD2 ASN 44 1HD2 ASN 44 10.138 9.720 0.657 337 2HD2 ASN 44 2HD2 ASN 44 11.666 10.533 0.748 338 H TYR 45 H TYR 45 7.784 14.604 -1.634 339 HA TYR 45 HA TYR 45 6.889 14.095 -4.347 340 1HB TYR 45 1HB TYR 45 6.317 16.505 -4.185 341 2HB TYR 45 2HB TYR 45 5.832 15.741 -2.684 342 HD1 TYR 45 1HD TYR 45 6.772 16.408 -0.597 343 HD2 TYR 45 2HD TYR 45 8.471 17.836 -4.254 344 HE1 TYR 45 1HE TYR 45 8.178 18.081 0.702 345 HE2 TYR 45 2HE TYR 45 9.871 19.504 -2.944 346 HH TYR 45 HH TYR 45 9.231 20.374 0.126 347 H ASN 46 H ASN 46 7.813 15.311 -6.190 348 HA ASN 46 HA ASN 46 10.386 16.452 -5.814 349 1HB ASN 46 1HB ASN 46 10.061 13.796 -7.299 350 2HB ASN 46 2HB ASN 46 11.456 14.834 -7.517 351 1HD2 ASN 46 1HD2 ASN 46 10.387 12.197 -5.972 352 2HD2 ASN 46 2HD2 ASN 46 11.373 12.188 -4.548 353 H ARG 47 H ARG 47 9.829 18.290 -7.033 354 HA ARG 47 HA ARG 47 8.137 18.043 -9.279 355 1HB ARG 47 1HB ARG 47 8.665 20.080 -7.565 356 2HB ARG 47 2HB ARG 47 9.792 20.524 -8.831 357 1HG ARG 47 1HG ARG 47 7.984 21.575 -9.763 358 2HG ARG 47 2HG ARG 47 7.572 19.975 -10.349 359 1HD ARG 47 1HD ARG 47 5.569 20.592 -9.294 360 2HD ARG 47 2HD ARG 47 6.361 19.705 -8.007 361 HE ARG 47 HE ARG 47 7.234 22.361 -7.719 362 1HH1 ARG 47 2HH2 ARG 47 4.149 20.669 -7.679 363 2HH1 ARG 47 1HH2 ARG 47 3.399 21.798 -6.599 364 1HH2 ARG 47 2HH1 ARG 47 6.246 23.850 -6.294 365 2HH2 ARG 47 1HH1 ARG 47 4.600 23.619 -5.806 366 H GLY 48 H GLY 48 11.634 18.192 -8.656 367 1HA GLY 48 1HA GLY 48 12.862 19.079 -10.823 368 2HA GLY 48 2HA GLY 48 13.314 17.564 -10.069 369 H ASP 49 H ASP 49 10.829 16.109 -10.716 370 HA ASP 49 HA ASP 49 10.955 16.122 -13.617 371 1HB ASP 49 1HB ASP 49 12.175 14.170 -12.008 372 2HB ASP 49 2HB ASP 49 10.641 13.434 -12.427 373 H GLN 50 H GLN 50 8.972 17.236 -11.774 374 HA GLN 50 HA GLN 50 6.897 17.032 -11.042 375 1HB GLN 50 1HB GLN 50 6.907 17.539 -13.611 376 2HB GLN 50 2HB GLN 50 6.279 15.914 -13.793 377 1HG GLN 50 1HG GLN 50 4.237 16.908 -13.507 378 2HG GLN 50 2HG GLN 50 4.631 16.839 -11.801 379 1HE2 GLN 50 1HE2 GLN 50 5.001 18.649 -10.670 380 2HE2 GLN 50 2HE2 GLN 50 4.937 20.261 -11.303 381 H SER 51 H SER 51 8.130 14.887 -9.944 382 HA SER 51 HA SER 51 6.124 12.812 -10.305 383 1HB SER 51 1HB SER 51 7.865 11.074 -10.004 384 2HB SER 51 2HB SER 51 8.167 12.040 -11.434 385 HG SER 51 HG SER 51 10.076 12.523 -10.617 386 H THR 52 H THR 52 5.602 11.631 -8.340 387 HA THR 52 HA THR 52 6.909 12.562 -5.900 388 HB THR 52 HB THR 52 3.979 12.928 -6.663 389 HG1 THR 52 1HG THR 52 5.465 14.702 -6.974 390 1HG2 THR 52 1HG2 THR 52 3.559 13.559 -4.309 391 2HG2 THR 52 2HG2 THR 52 4.088 11.861 -4.372 392 3HG2 THR 52 3HG2 THR 52 5.231 13.132 -3.874 393 H ASP 53 H ASP 53 6.199 11.239 -3.970 394 HA ASP 53 HA ASP 53 5.155 8.670 -4.728 395 1HB ASP 53 1HB ASP 53 7.868 8.940 -4.759 396 2HB ASP 53 2HB ASP 53 7.649 8.610 -3.052 397 H TYR 54 H TYR 54 3.499 8.554 -3.193 398 HA TYR 54 HA TYR 54 4.240 8.791 -0.400 399 1HB TYR 54 1HB TYR 54 2.124 10.316 -0.177 400 2HB TYR 54 2HB TYR 54 3.534 11.074 -0.893 401 HD1 TYR 54 1HD TYR 54 3.012 12.507 -2.630 402 HD2 TYR 54 2HD TYR 54 0.731 8.915 -2.177 403 HE1 TYR 54 1HE TYR 54 1.638 13.113 -4.681 404 HE2 TYR 54 2HE TYR 54 -0.636 9.534 -4.230 405 HH TYR 54 HH TYR 54 -1.138 11.155 -5.633 406 H GLY 55 H GLY 55 2.243 8.206 1.018 407 1HA GLY 55 1HA GLY 55 0.092 7.121 1.023 408 2HA GLY 55 2HA GLY 55 0.560 6.247 -0.422 409 H ILE 56 H ILE 56 -0.372 4.872 1.852 410 HA ILE 56 HA ILE 56 1.338 4.076 3.762 411 HB ILE 56 HB ILE 56 -0.809 2.725 2.212 412 1HG1 ILE 56 1HG1 ILE 56 -1.176 4.325 4.135 413 2HG1 ILE 56 2HG1 ILE 56 -1.976 2.772 4.261 414 1HG2 ILE 56 1HG2 ILE 56 1.053 1.276 4.110 415 2HG2 ILE 56 2HG2 ILE 56 -0.549 0.678 3.616 416 3HG2 ILE 56 3HG2 ILE 56 0.731 0.899 2.400 417 1HD1 ILE 56 1HD1 ILE 56 0.580 3.646 5.670 418 2HD1 ILE 56 2HD1 ILE 56 -0.982 3.225 6.413 419 3HD1 ILE 56 3HD1 ILE 56 0.010 1.959 5.650 420 H PHE 57 H PHE 57 1.117 2.492 0.494 421 HA PHE 57 HA PHE 57 3.686 1.258 0.994 422 1HB PHE 57 1HB PHE 57 1.917 1.241 -1.514 423 2HB PHE 57 2HB PHE 57 3.094 0.024 -1.059 424 HD1 PHE 57 1HD PHE 57 2.593 -1.565 0.761 425 HD2 PHE 57 2HD PHE 57 -0.300 1.230 -0.589 426 HE1 PHE 57 1HE PHE 57 0.786 -2.891 1.889 427 HE2 PHE 57 2HE PHE 57 -2.107 -0.096 0.539 428 HZ PHE 57 HZ PHE 57 -1.543 -2.141 1.765 429 H GLN 58 H GLN 58 3.328 4.277 0.591 430 HA GLN 58 HA GLN 58 4.100 5.921 -0.648 431 1HB GLN 58 1HB GLN 58 6.115 4.754 0.565 432 2HB GLN 58 2HB GLN 58 6.599 4.249 -1.042 433 1HG GLN 58 1HG GLN 58 7.181 6.385 -1.695 434 2HG GLN 58 2HG GLN 58 5.869 7.134 -0.807 435 1HE2 GLN 58 1HE2 GLN 58 6.814 8.611 0.405 436 2HE2 GLN 58 2HE2 GLN 58 8.092 8.349 1.545 437 H ILE 59 H ILE 59 2.552 5.561 -2.442 438 HA ILE 59 HA ILE 59 3.627 4.153 -4.739 439 HB ILE 59 HB ILE 59 0.975 5.188 -3.881 440 1HG1 ILE 59 1HG1 ILE 59 1.606 2.657 -5.392 441 2HG1 ILE 59 2HG1 ILE 59 1.919 2.779 -3.671 442 1HG2 ILE 59 1HG2 ILE 59 0.965 6.279 -5.945 443 2HG2 ILE 59 2HG2 ILE 59 1.877 4.977 -6.748 444 3HG2 ILE 59 3HG2 ILE 59 0.179 4.717 -6.281 445 1HD1 ILE 59 1HD1 ILE 59 -0.780 3.670 -4.675 446 2HD1 ILE 59 2HD1 ILE 59 -0.442 1.924 -4.580 447 3HD1 ILE 59 3HD1 ILE 59 -0.341 2.932 -3.116 448 H ASN 60 H ASN 60 4.032 5.148 -6.779 449 HA ASN 60 HA ASN 60 5.047 7.780 -6.471 450 1HB ASN 60 1HB ASN 60 5.251 5.561 -8.402 451 2HB ASN 60 2HB ASN 60 5.086 7.099 -9.228 452 1HD2 ASN 60 1HD2 ASN 60 6.629 8.692 -9.004 453 2HD2 ASN 60 2HD2 ASN 60 8.212 8.405 -8.362 454 H SER 61 H SER 61 4.113 9.707 -7.308 455 HA SER 61 HA SER 61 1.406 9.408 -8.256 456 1HB SER 61 1HB SER 61 2.645 12.115 -7.890 457 2HB SER 61 2HB SER 61 1.032 11.564 -7.480 458 HG SER 61 HG SER 61 3.489 11.021 -6.049 459 H ARG 62 H ARG 62 4.381 9.300 -9.659 460 HA ARG 62 HA ARG 62 3.854 11.163 -11.770 461 1HB ARG 62 1HB ARG 62 6.172 10.945 -11.060 462 2HB ARG 62 2HB ARG 62 6.124 9.200 -11.207 463 1HG ARG 62 1HG ARG 62 6.935 9.447 -13.312 464 2HG ARG 62 2HG ARG 62 5.367 10.083 -13.764 465 1HD ARG 62 1HD ARG 62 6.561 12.306 -12.588 466 2HD ARG 62 2HD ARG 62 7.932 11.521 -13.346 467 HE ARG 62 HE ARG 62 5.732 12.846 -14.707 468 1HH1 ARG 62 2HH2 ARG 62 8.098 10.260 -15.028 469 2HH1 ARG 62 1HH2 ARG 62 8.093 10.298 -16.760 470 1HH2 ARG 62 2HH1 ARG 62 5.726 12.897 -16.992 471 2HH2 ARG 62 1HH1 ARG 62 6.735 11.808 -17.884 472 H TYR 63 H TYR 63 3.928 7.616 -11.156 473 HA TYR 63 HA TYR 63 3.035 7.150 -13.909 474 1HB TYR 63 1HB TYR 63 4.836 5.931 -12.024 475 2HB TYR 63 2HB TYR 63 3.465 4.844 -12.102 476 HD1 TYR 63 1HD TYR 63 6.162 6.424 -14.090 477 HD2 TYR 63 2HD TYR 63 3.057 3.479 -14.039 478 HE1 TYR 63 1HE TYR 63 7.077 5.410 -16.235 479 HE2 TYR 63 2HE TYR 63 3.983 2.476 -16.185 480 HH TYR 63 HH TYR 63 5.791 2.406 -17.502 481 H TRP 64 H TRP 64 2.242 6.413 -10.451 482 HA TRP 64 HA TRP 64 -0.374 5.458 -11.333 483 1HB TRP 64 1HB TRP 64 1.028 5.299 -8.660 484 2HB TRP 64 2HB TRP 64 -0.589 4.705 -8.977 485 HD1 TRP 64 HD TRP 64 -0.782 2.376 -10.335 486 HE1 TRP 64 1HE TRP 64 0.892 0.453 -11.016 487 HE3 TRP 64 3HE TRP 64 3.458 5.014 -9.380 488 HZ2 TRP 64 2HZ TRP 64 3.739 0.256 -11.078 489 HZ3 TRP 64 3HZ TRP 64 5.644 3.883 -9.777 490 HH2 TRP 64 HH TRP 64 5.826 1.587 -10.596 491 H CYS 65 H CYS 65 -2.313 6.311 -10.153 492 HA CYS 65 HA CYS 65 -3.600 7.954 -9.478 493 1HB CYS 65 1HB CYS 65 -3.084 8.938 -7.538 494 2HB CYS 65 2HB CYS 65 -1.696 7.869 -7.589 495 H ASN 66 H ASN 66 -4.290 10.078 -10.199 496 HA ASN 66 HA ASN 66 -2.711 10.997 -12.412 497 1HB ASN 66 1HB ASN 66 -5.069 10.818 -12.880 498 2HB ASN 66 2HB ASN 66 -5.514 11.591 -11.371 499 1HD2 ASN 66 1HD2 ASN 66 -6.810 13.033 -12.551 500 2HD2 ASN 66 2HD2 ASN 66 -6.148 14.396 -13.389 501 H ASP 67 H ASP 67 -4.836 13.155 -10.517 502 HA ASP 67 HA ASP 67 -2.999 14.248 -8.812 503 1HB ASP 67 1HB ASP 67 -2.028 14.888 -11.186 504 2HB ASP 67 2HB ASP 67 -3.328 16.063 -11.225 505 H GLY 68 H GLY 68 -5.583 14.956 -11.249 506 1HA GLY 68 1HA GLY 68 -7.751 15.573 -10.809 507 2HA GLY 68 2HA GLY 68 -7.342 15.903 -9.138 508 H LYS 69 H LYS 69 -4.874 17.332 -10.870 509 HA LYS 69 HA LYS 69 -6.377 19.786 -11.382 510 1HB LYS 69 1HB LYS 69 -4.329 19.352 -9.294 511 2HB LYS 69 2HB LYS 69 -4.074 20.771 -10.290 512 1HG LYS 69 1HG LYS 69 -5.778 21.878 -9.276 513 2HG LYS 69 2HG LYS 69 -6.897 20.570 -9.604 514 1HD LYS 69 1HD LYS 69 -5.331 19.495 -7.566 515 2HD LYS 69 2HD LYS 69 -5.395 21.188 -7.121 516 1HE LYS 69 1HE LYS 69 -7.940 21.076 -7.433 517 2HE LYS 69 2HE LYS 69 -7.774 19.343 -7.624 518 1HZ LYS 69 1HZ LYS 69 -8.198 20.305 -5.318 519 2HZ LYS 69 2HZ LYS 69 -7.098 19.108 -5.462 520 3HZ LYS 69 3HZ LYS 69 -6.603 20.655 -5.299 521 H THR 70 H THR 70 -3.275 17.951 -11.654 522 HA THR 70 HA THR 70 -2.809 19.362 -14.195 523 HB THR 70 HB THR 70 -0.997 18.065 -12.111 524 HG1 THR 70 1HG THR 70 -1.605 20.331 -11.915 525 1HG2 THR 70 1HG2 THR 70 0.605 19.285 -14.077 526 2HG2 THR 70 2HG2 THR 70 0.460 17.532 -13.801 527 3HG2 THR 70 3HG2 THR 70 -0.563 18.329 -15.021 528 HA PRO 71 HA PRO 71 -3.983 15.457 -15.816 529 1HB PRO 71 1HB PRO 71 -4.660 16.361 -18.304 530 2HB PRO 71 2HB PRO 71 -5.791 16.297 -16.968 531 1HG PRO 71 1HG PRO 71 -4.434 18.649 -18.136 532 2HG PRO 71 2HG PRO 71 -5.856 18.598 -17.113 533 1HD PRO 71 1HD PRO 71 -3.197 19.322 -16.320 534 2HD PRO 71 2HD PRO 71 -4.594 19.159 -15.275 535 H ARG 72 H ARG 72 -1.464 15.467 -15.343 536 HA ARG 72 HA ARG 72 -0.326 15.098 -17.997 537 1HB ARG 72 1HB ARG 72 0.669 16.568 -15.632 538 2HB ARG 72 2HB ARG 72 1.844 15.415 -16.232 539 1HG ARG 72 1HG ARG 72 0.598 16.848 -18.459 540 2HG ARG 72 2HG ARG 72 1.260 17.982 -17.300 541 1HD ARG 72 1HD ARG 72 3.446 17.343 -17.705 542 2HD ARG 72 2HD ARG 72 3.027 15.656 -17.929 543 HE ARG 72 HE ARG 72 2.812 16.043 -20.224 544 1HH1 ARG 72 2HH2 ARG 72 2.641 19.121 -18.527 545 2HH1 ARG 72 1HH2 ARG 72 2.644 20.067 -19.979 546 1HH2 ARG 72 2HH1 ARG 72 2.816 17.290 -22.139 547 2HH2 ARG 72 1HH1 ARG 72 2.744 19.018 -22.047 548 H ALA 73 H ALA 73 0.111 14.193 -14.492 549 HA ALA 73 HA ALA 73 1.650 12.015 -14.685 550 1HB ALA 73 1HB ALA 73 0.351 13.148 -12.687 551 2HB ALA 73 2HB ALA 73 -0.843 11.864 -12.995 552 3HB ALA 73 3HB ALA 73 0.836 11.439 -12.579 553 H VAL 74 H VAL 74 1.507 9.857 -15.313 554 HA VAL 74 HA VAL 74 -0.757 9.267 -17.031 555 HB VAL 74 HB VAL 74 1.486 8.957 -17.889 556 1HG1 VAL 74 1HG1 VAL 74 1.838 7.107 -15.513 557 2HG1 VAL 74 2HG1 VAL 74 2.910 7.089 -16.935 558 3HG1 VAL 74 3HG1 VAL 74 2.786 8.555 -15.932 559 1HG2 VAL 74 1HG2 VAL 74 -0.559 6.966 -17.839 560 2HG2 VAL 74 2HG2 VAL 74 0.643 7.294 -19.110 561 3HG2 VAL 74 3HG2 VAL 74 1.016 6.137 -17.811 562 H ASN 75 H ASN 75 -1.889 9.393 -14.664 563 HA ASN 75 HA ASN 75 -1.685 7.589 -12.774 564 1HB ASN 75 1HB ASN 75 -4.205 7.641 -12.576 565 2HB ASN 75 2HB ASN 75 -3.514 9.233 -12.817 566 1HD2 ASN 75 1HD2 ASN 75 -6.179 8.473 -13.354 567 2HD2 ASN 75 2HD2 ASN 75 -6.493 8.656 -15.047 568 H ALA 76 H ALA 76 -0.956 5.465 -13.290 569 HA ALA 76 HA ALA 76 -2.298 3.990 -15.380 570 1HB ALA 76 1HB ALA 76 -0.156 3.275 -15.490 571 2HB ALA 76 2HB ALA 76 0.211 3.856 -13.847 572 3HB ALA 76 3HB ALA 76 -0.557 2.266 -14.078 573 H CYS 77 H CYS 77 -2.644 4.596 -11.990 574 HA CYS 77 HA CYS 77 -3.906 2.044 -11.498 575 1HB CYS 77 1HB CYS 77 -2.399 3.465 -9.882 576 2HB CYS 77 2HB CYS 77 -3.894 4.312 -9.541 577 H GLY 78 H GLY 78 -4.622 5.473 -12.168 578 1HA GLY 78 1HA GLY 78 -6.546 6.436 -12.865 579 2HA GLY 78 2HA GLY 78 -7.328 4.868 -12.861 580 H ILE 79 H ILE 79 -5.881 7.143 -10.410 581 HA ILE 79 HA ILE 79 -8.421 7.206 -9.037 582 HB ILE 79 HB ILE 79 -7.826 6.201 -7.085 583 1HG1 ILE 79 1HG1 ILE 79 -5.745 7.595 -6.824 584 2HG1 ILE 79 2HG1 ILE 79 -5.658 5.977 -6.159 585 1HG2 ILE 79 1HG2 ILE 79 -6.738 4.048 -7.579 586 2HG2 ILE 79 2HG2 ILE 79 -7.947 4.494 -8.807 587 3HG2 ILE 79 3HG2 ILE 79 -6.212 4.686 -9.156 588 1HD1 ILE 79 1HD1 ILE 79 -3.695 6.926 -7.691 589 2HD1 ILE 79 2HD1 ILE 79 -4.183 5.218 -7.803 590 3HD1 ILE 79 3HD1 ILE 79 -4.763 6.390 -9.011 591 H ASN 80 H ASN 80 -8.439 8.911 -7.334 592 HA ASN 80 HA ASN 80 -7.102 11.167 -8.305 593 1HB ASN 80 1HB ASN 80 -9.149 10.527 -6.315 594 2HB ASN 80 2HB ASN 80 -8.020 11.687 -5.642 595 1HD2 ASN 80 1HD2 ASN 80 -10.404 12.631 -5.877 596 2HD2 ASN 80 2HD2 ASN 80 -10.622 13.693 -7.229 597 H CYS 81 H CYS 81 -5.038 11.896 -7.746 598 HA CYS 81 HA CYS 81 -3.289 10.452 -6.260 599 1HB CYS 81 1HB CYS 81 -3.404 13.324 -7.087 600 2HB CYS 81 2HB CYS 81 -2.160 12.826 -5.957 601 H SER 82 H SER 82 -5.367 13.250 -5.245 602 HA SER 82 HA SER 82 -4.461 13.474 -2.685 603 1HB SER 82 1HB SER 82 -6.186 14.894 -4.042 604 2HB SER 82 2HB SER 82 -7.392 13.793 -3.406 605 HG SER 82 HG SER 82 -6.697 15.917 -2.187 606 H ALA 83 H ALA 83 -6.425 10.968 -4.184 607 HA ALA 83 HA ALA 83 -7.734 10.017 -1.892 608 1HB ALA 83 1HB ALA 83 -8.075 9.540 -4.443 609 2HB ALA 83 2HB ALA 83 -6.856 8.268 -4.193 610 3HB ALA 83 3HB ALA 83 -8.377 8.236 -3.271 611 H LEU 84 H LEU 84 -4.411 10.143 -2.717 612 HA LEU 84 HA LEU 84 -3.804 7.769 -1.128 613 1HB LEU 84 1HB LEU 84 -1.963 9.516 -2.765 614 2HB LEU 84 2HB LEU 84 -1.555 7.997 -1.993 615 HG LEU 84 HG LEU 84 -3.275 8.478 -4.418 616 1HD1 LEU 84 1HD1 LEU 84 -1.632 6.284 -4.828 617 2HD1 LEU 84 2HD1 LEU 84 -1.343 7.948 -5.389 618 3HD1 LEU 84 3HD1 LEU 84 -0.628 7.389 -3.858 619 1HD2 LEU 84 1HD2 LEU 84 -3.456 6.215 -2.474 620 2HD2 LEU 84 2HD2 LEU 84 -4.723 6.999 -3.447 621 3HD2 LEU 84 3HD2 LEU 84 -3.590 5.861 -4.213 622 H LEU 85 H LEU 85 -4.783 10.709 -0.368 623 HA LEU 85 HA LEU 85 -2.978 10.845 1.911 624 1HB LEU 85 1HB LEU 85 -2.617 12.528 -0.236 625 2HB LEU 85 2HB LEU 85 -3.641 13.482 0.819 626 HG LEU 85 HG LEU 85 -1.287 13.967 1.199 627 1HD1 LEU 85 1HD1 LEU 85 -3.125 13.741 3.095 628 2HD1 LEU 85 2HD1 LEU 85 -2.021 12.472 3.675 629 3HD1 LEU 85 3HD1 LEU 85 -1.432 14.139 3.469 630 1HD2 LEU 85 1HD2 LEU 85 -0.840 11.192 2.271 631 2HD2 LEU 85 2HD2 LEU 85 -0.592 11.561 0.547 632 3HD2 LEU 85 3HD2 LEU 85 0.348 12.427 1.786 633 H GLN 86 H GLN 86 -5.773 9.894 1.300 634 HA GLN 86 HA GLN 86 -7.295 11.904 2.726 635 1HB GLN 86 1HB GLN 86 -9.273 10.698 1.998 636 2HB GLN 86 2HB GLN 86 -8.215 10.898 0.615 637 1HG GLN 86 1HG GLN 86 -7.435 8.605 0.760 638 2HG GLN 86 2HG GLN 86 -8.166 8.383 2.337 639 1HE2 GLN 86 1HE2 GLN 86 -10.577 8.864 2.411 640 2HE2 GLN 86 2HE2 GLN 86 -11.552 8.208 1.137 641 H ASP 87 H ASP 87 -9.248 10.138 3.905 642 HA ASP 87 HA ASP 87 -7.679 9.303 6.150 643 1HB ASP 87 1HB ASP 87 -9.641 10.406 6.831 644 2HB ASP 87 2HB ASP 87 -10.605 9.709 5.546 645 H ASP 88 H ASP 88 -10.546 7.835 4.433 646 HA ASP 88 HA ASP 88 -9.999 5.267 5.226 647 1HB ASP 88 1HB ASP 88 -11.391 6.188 2.666 648 2HB ASP 88 2HB ASP 88 -11.552 4.599 3.387 649 H ILE 89 H ILE 89 -8.554 3.701 4.432 650 HA ILE 89 HA ILE 89 -6.764 4.525 2.329 651 HB ILE 89 HB ILE 89 -5.535 2.503 2.925 652 1HG1 ILE 89 1HG1 ILE 89 -7.345 1.914 5.223 653 2HG1 ILE 89 2HG1 ILE 89 -7.859 1.374 3.637 654 1HG2 ILE 89 1HG2 ILE 89 -6.368 4.143 5.334 655 2HG2 ILE 89 2HG2 ILE 89 -4.886 3.169 5.181 656 3HG2 ILE 89 3HG2 ILE 89 -5.128 4.592 4.138 657 1HD1 ILE 89 1HD1 ILE 89 -5.089 0.804 4.784 658 2HD1 ILE 89 2HD1 ILE 89 -6.465 -0.317 4.909 659 3HD1 ILE 89 3HD1 ILE 89 -5.805 0.106 3.311 660 H THR 90 H THR 90 -9.838 3.425 2.257 661 HA THR 90 HA THR 90 -9.988 1.146 0.801 662 HB THR 90 HB THR 90 -11.867 2.645 1.639 663 HG1 THR 90 1HG THR 90 -12.034 0.895 -0.046 664 1HG2 THR 90 1HG2 THR 90 -10.970 4.790 0.555 665 2HG2 THR 90 2HG2 THR 90 -11.402 4.086 -1.021 666 3HG2 THR 90 3HG2 THR 90 -12.673 4.430 0.177 667 H ALA 91 H ALA 91 -8.877 4.349 -0.339 668 HA ALA 91 HA ALA 91 -8.822 3.552 -3.070 669 1HB ALA 91 1HB ALA 91 -8.700 5.929 -1.649 670 2HB ALA 91 2HB ALA 91 -7.033 5.742 -2.247 671 3HB ALA 91 3HB ALA 91 -8.395 5.748 -3.393 672 H ALA 92 H ALA 92 -6.474 3.670 -0.340 673 HA ALA 92 HA ALA 92 -4.210 3.048 -1.860 674 1HB ALA 92 1HB ALA 92 -4.190 3.986 0.434 675 2HB ALA 92 2HB ALA 92 -4.845 2.454 1.060 676 3HB ALA 92 3HB ALA 92 -3.224 2.495 0.325 677 H ILE 93 H ILE 93 -6.808 1.068 -0.396 678 HA ILE 93 HA ILE 93 -5.441 -1.391 -0.848 679 HB ILE 93 HB ILE 93 -8.362 -0.862 -0.295 680 1HG1 ILE 93 1HG1 ILE 93 -6.006 -1.173 1.579 681 2HG1 ILE 93 2HG1 ILE 93 -7.102 0.188 1.446 682 1HG2 ILE 93 1HG2 ILE 93 -7.271 -3.197 -1.124 683 2HG2 ILE 93 2HG2 ILE 93 -7.049 -3.343 0.636 684 3HG2 ILE 93 3HG2 ILE 93 -8.675 -3.077 -0.036 685 1HD1 ILE 93 1HD1 ILE 93 -7.942 -0.964 3.322 686 2HD1 ILE 93 2HD1 ILE 93 -8.985 -1.564 2.010 687 3HD1 ILE 93 3HD1 ILE 93 -7.633 -2.561 2.599 688 H GLN 94 H GLN 94 -8.231 0.313 -2.432 689 HA GLN 94 HA GLN 94 -8.631 -1.528 -4.403 690 1HB GLN 94 1HB GLN 94 -9.983 0.594 -3.773 691 2HB GLN 94 2HB GLN 94 -8.902 1.469 -4.839 692 1HG GLN 94 1HG GLN 94 -10.514 0.919 -6.400 693 2HG GLN 94 2HG GLN 94 -9.540 -0.533 -6.534 694 1HE2 GLN 94 1HE2 GLN 94 -12.269 -0.342 -7.164 695 2HE2 GLN 94 2HE2 GLN 94 -13.180 -1.365 -6.105 696 H CYS 95 H CYS 95 -6.325 1.243 -4.274 697 HA CYS 95 HA CYS 95 -5.449 0.930 -6.929 698 1HB CYS 95 1HB CYS 95 -5.240 2.967 -5.395 699 2HB CYS 95 2HB CYS 95 -3.858 2.161 -4.681 700 H ALA 96 H ALA 96 -4.075 -0.005 -3.689 701 HA ALA 96 HA ALA 96 -1.792 -1.226 -4.445 702 1HB ALA 96 1HB ALA 96 -2.144 -2.678 -2.435 703 2HB ALA 96 2HB ALA 96 -2.481 -0.958 -2.125 704 3HB ALA 96 3HB ALA 96 -3.826 -2.101 -2.354 705 H LYS 97 H LYS 97 -5.123 -2.649 -4.488 706 HA LYS 97 HA LYS 97 -4.211 -5.135 -5.508 707 1HB LYS 97 1HB LYS 97 -6.571 -5.657 -5.720 708 2HB LYS 97 2HB LYS 97 -6.254 -4.908 -4.169 709 1HG LYS 97 1HG LYS 97 -7.176 -2.795 -4.878 710 2HG LYS 97 2HG LYS 97 -7.159 -3.264 -6.566 711 1HD LYS 97 1HD LYS 97 -8.719 -5.272 -5.470 712 2HD LYS 97 2HD LYS 97 -9.140 -3.917 -4.441 713 1HE LYS 97 1HE LYS 97 -10.330 -2.897 -6.098 714 2HE LYS 97 2HE LYS 97 -9.042 -3.112 -7.267 715 1HZ LYS 97 1HZ LYS 97 -9.778 -5.447 -7.446 716 2HZ LYS 97 2HZ LYS 97 -11.068 -5.096 -6.507 717 3HZ LYS 97 3HZ LYS 97 -10.891 -4.368 -7.959 718 H ARG 98 H ARG 98 -5.587 -2.123 -6.932 719 HA ARG 98 HA ARG 98 -5.832 -3.139 -9.488 720 1HB ARG 98 1HB ARG 98 -6.839 -0.982 -8.617 721 2HB ARG 98 2HB ARG 98 -5.245 -0.252 -8.658 722 1HG ARG 98 1HG ARG 98 -5.587 0.290 -10.831 723 2HG ARG 98 2HG ARG 98 -5.592 -1.418 -11.228 724 1HD ARG 98 1HD ARG 98 -7.755 -1.111 -11.887 725 2HD ARG 98 2HD ARG 98 -8.154 -1.055 -10.181 726 HE ARG 98 HE ARG 98 -7.248 1.521 -11.262 727 1HH1 ARG 98 2HH2 ARG 98 -10.019 -0.575 -10.704 728 2HH1 ARG 98 1HH2 ARG 98 -11.169 0.720 -10.752 729 1HH2 ARG 98 2HH1 ARG 98 -8.765 3.229 -11.325 730 2HH2 ARG 98 1HH1 ARG 98 -10.450 2.898 -11.109 731 H VAL 99 H VAL 99 -3.044 -2.317 -7.593 732 HA VAL 99 HA VAL 99 -1.384 -1.810 -9.923 733 HB VAL 99 HB VAL 99 -0.953 -1.722 -6.940 734 1HG1 VAL 99 1HG1 VAL 99 1.345 -1.095 -7.291 735 2HG1 VAL 99 2HG1 VAL 99 1.062 -2.656 -8.099 736 3HG1 VAL 99 3HG1 VAL 99 1.146 -1.160 -9.058 737 1HG2 VAL 99 1HG2 VAL 99 -0.639 0.470 -9.010 738 2HG2 VAL 99 2HG2 VAL 99 -2.156 0.157 -8.134 739 3HG2 VAL 99 3HG2 VAL 99 -0.693 0.631 -7.239 740 H VAL 100 H VAL 100 -1.512 -4.096 -7.098 741 HA VAL 100 HA VAL 100 0.470 -5.794 -8.023 742 HB VAL 100 HB VAL 100 -1.000 -5.568 -5.791 743 1HG1 VAL 100 1HG1 VAL 100 -2.046 -8.143 -6.994 744 2HG1 VAL 100 2HG1 VAL 100 -2.515 -7.368 -5.461 745 3HG1 VAL 100 3HG1 VAL 100 -2.969 -6.621 -7.012 746 1HG2 VAL 100 1HG2 VAL 100 1.209 -6.710 -6.130 747 2HG2 VAL 100 2HG2 VAL 100 0.134 -7.520 -4.966 748 3HG2 VAL 100 3HG2 VAL 100 0.319 -8.173 -6.612 749 H ARG 101 H ARG 101 -2.951 -5.445 -8.924 750 HA ARG 101 HA ARG 101 -3.401 -7.878 -10.031 751 1HB ARG 101 1HB ARG 101 -5.171 -6.810 -11.292 752 2HB ARG 101 2HB ARG 101 -5.031 -5.922 -9.788 753 1HG ARG 101 1HG ARG 101 -4.857 -4.055 -11.080 754 2HG ARG 101 2HG ARG 101 -3.216 -4.576 -11.409 755 1HD ARG 101 1HD ARG 101 -4.156 -4.252 -13.573 756 2HD ARG 101 2HD ARG 101 -4.213 -5.988 -13.348 757 HE ARG 101 HE ARG 101 -6.645 -4.731 -12.381 758 1HH1 ARG 101 2HH2 ARG 101 -5.002 -5.789 -15.308 759 2HH1 ARG 101 1HH2 ARG 101 -6.468 -6.002 -16.206 760 1HH2 ARG 101 2HH1 ARG 101 -8.579 -5.012 -13.567 761 2HH2 ARG 101 1HH1 ARG 101 -8.516 -5.557 -15.209 762 H ASP 102 H ASP 102 -1.274 -5.287 -11.101 763 HA ASP 102 HA ASP 102 -1.205 -6.039 -13.810 764 1HB ASP 102 1HB ASP 102 -0.081 -4.008 -12.120 765 2HB ASP 102 2HB ASP 102 1.264 -4.789 -12.926 766 HA PRO 103 HA PRO 103 2.030 -9.015 -13.647 767 1HB PRO 103 1HB PRO 103 3.907 -8.280 -15.492 768 2HB PRO 103 2HB PRO 103 2.387 -9.042 -15.921 769 1HG PRO 103 1HG PRO 103 3.188 -6.210 -16.210 770 2HG PRO 103 2HG PRO 103 1.878 -7.068 -16.999 771 1HD PRO 103 1HD PRO 103 1.653 -5.231 -14.807 772 2HD PRO 103 2HD PRO 103 0.360 -6.175 -15.521 773 H GLN 104 H GLN 104 2.544 -6.108 -12.347 774 HA GLN 104 HA GLN 104 5.303 -6.257 -11.886 775 1HB GLN 104 1HB GLN 104 3.163 -4.797 -10.274 776 2HB GLN 104 2HB GLN 104 4.884 -4.470 -10.224 777 1HG GLN 104 1HG GLN 104 3.625 -4.427 -12.944 778 2HG GLN 104 2HG GLN 104 3.145 -3.138 -11.859 779 1HE2 GLN 104 1HE2 GLN 104 5.124 -3.761 -14.268 780 2HE2 GLN 104 2HE2 GLN 104 6.512 -2.797 -13.889 781 H GLY 105 H GLY 105 2.487 -6.786 -9.633 782 1HA GLY 105 1HA GLY 105 2.208 -8.343 -8.011 783 2HA GLY 105 2HA GLY 105 3.683 -9.140 -8.521 784 H ILE 106 H ILE 106 3.051 -8.855 -5.785 785 HA ILE 106 HA ILE 106 3.931 -6.634 -4.483 786 HB ILE 106 HB ILE 106 4.116 -9.559 -3.791 787 1HG1 ILE 106 1HG1 ILE 106 1.876 -8.359 -4.093 788 2HG1 ILE 106 2HG1 ILE 106 2.126 -9.252 -2.606 789 1HG2 ILE 106 1HG2 ILE 106 4.638 -8.974 -1.516 790 2HG2 ILE 106 2HG2 ILE 106 5.882 -8.288 -2.589 791 3HG2 ILE 106 3HG2 ILE 106 4.615 -7.238 -1.909 792 1HD1 ILE 106 1HD1 ILE 106 2.956 -6.366 -2.597 793 2HD1 ILE 106 2HD1 ILE 106 1.211 -6.714 -2.619 794 3HD1 ILE 106 3HD1 ILE 106 2.227 -7.342 -1.300 795 H ARG 107 H ARG 107 5.803 -9.053 -6.272 796 HA ARG 107 HA ARG 107 8.232 -8.867 -5.236 797 1HB ARG 107 1HB ARG 107 7.314 -9.956 -7.485 798 2HB ARG 107 2HB ARG 107 7.935 -8.498 -8.235 799 1HG ARG 107 1HG ARG 107 9.973 -9.496 -8.284 800 2HG ARG 107 2HG ARG 107 10.032 -9.304 -6.542 801 1HD ARG 107 1HD ARG 107 9.349 -11.522 -6.130 802 2HD ARG 107 2HD ARG 107 8.521 -11.668 -7.667 803 HE ARG 107 HE ARG 107 11.193 -11.309 -8.375 804 1HH1 ARG 107 2HH2 ARG 107 9.441 -13.595 -6.353 805 2HH1 ARG 107 1HH2 ARG 107 10.556 -14.891 -6.632 806 1HH2 ARG 107 2HH1 ARG 107 12.664 -13.018 -8.742 807 2HH2 ARG 107 1HH1 ARG 107 12.402 -14.561 -7.999 808 H ALA 108 H ALA 108 6.457 -6.324 -6.981 809 HA ALA 108 HA ALA 108 8.470 -4.640 -7.745 810 1HB ALA 108 1HB ALA 108 6.732 -3.262 -8.196 811 2HB ALA 108 2HB ALA 108 5.705 -4.598 -7.627 812 3HB ALA 108 3HB ALA 108 6.160 -3.288 -6.511 813 H TRP 109 H TRP 109 7.229 -5.373 -4.489 814 HA TRP 109 HA TRP 109 8.977 -3.293 -3.393 815 1HB TRP 109 1HB TRP 109 6.776 -4.888 -2.069 816 2HB TRP 109 2HB TRP 109 7.737 -3.636 -1.308 817 HD1 TRP 109 HD TRP 109 7.397 -1.057 -2.490 818 HE1 TRP 109 1HE TRP 109 5.240 0.134 -3.432 819 HE3 TRP 109 3HE TRP 109 4.694 -5.314 -3.146 820 HZ2 TRP 109 2HZ TRP 109 2.702 -0.816 -4.326 821 HZ3 TRP 109 3HZ TRP 109 2.385 -5.094 -4.058 822 HH2 TRP 109 HH TRP 109 1.383 -2.941 -4.642 823 H VAL 110 H VAL 110 10.743 -4.877 -4.267 824 HA VAL 110 HA VAL 110 11.155 -7.391 -3.346 825 HB VAL 110 HB VAL 110 12.526 -6.217 -4.991 826 1HG1 VAL 110 1HG1 VAL 110 12.854 -4.314 -2.860 827 2HG1 VAL 110 2HG1 VAL 110 14.452 -4.903 -3.374 828 3HG1 VAL 110 3HG1 VAL 110 13.343 -4.186 -4.567 829 1HG2 VAL 110 1HG2 VAL 110 14.029 -7.364 -2.618 830 2HG2 VAL 110 2HG2 VAL 110 13.456 -8.229 -4.064 831 3HG2 VAL 110 3HG2 VAL 110 14.769 -7.034 -4.203 832 H ALA 111 H ALA 111 11.198 -4.371 -1.535 833 HA ALA 111 HA ALA 111 12.817 -4.941 0.573 834 1HB ALA 111 1HB ALA 111 10.711 -3.681 1.785 835 2HB ALA 111 2HB ALA 111 11.948 -2.852 0.809 836 3HB ALA 111 3HB ALA 111 10.392 -3.308 0.073 837 H TRP 112 H TRP 112 9.402 -6.007 0.034 838 HA TRP 112 HA TRP 112 9.101 -7.304 2.482 839 1HB TRP 112 1HB TRP 112 7.067 -7.234 1.603 840 2HB TRP 112 2HB TRP 112 7.677 -7.068 -0.031 841 HD1 TRP 112 HD TRP 112 6.036 -9.589 2.220 842 HE1 TRP 112 1HE TRP 112 5.749 -11.946 1.070 843 HE3 TRP 112 3HE TRP 112 9.058 -8.605 -1.748 844 HZ2 TRP 112 2HZ TRP 112 6.795 -13.109 -1.317 845 HZ3 TRP 112 3HZ TRP 112 9.372 -10.406 -3.444 846 HH2 TRP 112 HH TRP 112 8.298 -12.595 -3.275 847 H ARG 113 H ARG 113 10.661 -8.193 -0.606 848 HA ARG 113 HA ARG 113 10.820 -10.914 -0.106 849 1HB ARG 113 1HB ARG 113 11.286 -9.551 -2.295 850 2HB ARG 113 2HB ARG 113 12.907 -9.328 -1.664 851 1HG ARG 113 1HG ARG 113 13.112 -11.848 -1.444 852 2HG ARG 113 2HG ARG 113 11.540 -12.007 -2.206 853 1HD ARG 113 1HD ARG 113 12.411 -10.802 -4.231 854 2HD ARG 113 2HD ARG 113 13.984 -10.670 -3.470 855 HE ARG 113 HE ARG 113 12.894 -13.024 -4.759 856 1HH1 ARG 113 2HH2 ARG 113 14.994 -12.005 -2.126 857 2HH1 ARG 113 1HH2 ARG 113 15.915 -13.471 -2.124 858 1HH2 ARG 113 2HH1 ARG 113 14.110 -14.959 -4.756 859 2HH2 ARG 113 1HH1 ARG 113 15.410 -15.164 -3.630 860 H ALA 114 H ALA 114 12.355 -8.226 1.404 861 HA ALA 114 HA ALA 114 14.369 -10.027 2.559 862 1HB ALA 114 1HB ALA 114 15.029 -7.141 2.453 863 2HB ALA 114 2HB ALA 114 16.050 -8.562 2.125 864 3HB ALA 114 3HB ALA 114 14.954 -7.944 0.866 865 H HIS 115 H HIS 115 11.617 -9.489 3.433 866 HA HIS 115 HA HIS 115 12.296 -8.529 6.064 867 1HB HIS 115 1HB HIS 115 11.116 -6.768 4.219 868 2HB HIS 115 2HB HIS 115 9.799 -7.290 5.250 869 HD1 HIS 115 1HD HIS 115 13.343 -5.873 5.642 870 HD2 HIS 115 2HD HIS 115 9.638 -5.916 7.610 871 HE1 HIS 115 1HE HIS 115 13.579 -4.310 7.645 872 HE2 HIS 115 2HE HIS 115 11.256 -4.334 8.783 873 H CYS 116 H CYS 116 9.787 -9.739 3.762 874 HA CYS 116 HA CYS 116 8.408 -11.014 5.956 875 1HB CYS 116 1HB CYS 116 7.707 -10.086 3.342 876 2HB CYS 116 2HB CYS 116 7.352 -11.799 3.431 877 H GLN 117 H GLN 117 10.020 -11.900 2.813 878 HA GLN 117 HA GLN 117 9.870 -14.626 3.216 879 1HB GLN 117 1HB GLN 117 10.783 -12.912 1.214 880 2HB GLN 117 2HB GLN 117 12.253 -13.720 1.721 881 1HG GLN 117 1HG GLN 117 11.419 -15.188 0.077 882 2HG GLN 117 2HG GLN 117 10.853 -15.932 1.559 883 1HE2 GLN 117 1HE2 GLN 117 9.204 -16.954 0.401 884 2HE2 GLN 117 2HE2 GLN 117 7.763 -16.129 -0.093 885 H ASN 118 H ASN 118 11.691 -12.255 4.891 886 HA ASN 118 HA ASN 118 14.061 -13.588 5.333 887 1HB ASN 118 1HB ASN 118 13.426 -11.167 5.961 888 2HB ASN 118 2HB ASN 118 12.585 -11.823 7.352 889 1HD2 ASN 118 1HD2 ASN 118 13.743 -11.349 9.062 890 2HD2 ASN 118 2HD2 ASN 118 15.436 -11.638 9.291 891 H ARG 119 H ARG 119 11.249 -13.193 7.633 892 HA ARG 119 HA ARG 119 11.714 -15.937 8.457 893 1HB ARG 119 1HB ARG 119 12.581 -13.944 10.045 894 2HB ARG 119 2HB ARG 119 10.897 -13.886 10.526 895 1HG ARG 119 1HG ARG 119 11.060 -15.818 11.727 896 2HG ARG 119 2HG ARG 119 11.892 -16.653 10.430 897 1HD ARG 119 1HD ARG 119 13.994 -15.268 11.113 898 2HD ARG 119 2HD ARG 119 13.111 -14.861 12.571 899 HE ARG 119 HE ARG 119 13.388 -17.062 13.346 900 1HH1 ARG 119 2HH2 ARG 119 14.202 -16.903 9.927 901 2HH1 ARG 119 1HH2 ARG 119 14.856 -18.505 9.876 902 1HH2 ARG 119 2HH1 ARG 119 14.251 -19.177 13.281 903 2HH2 ARG 119 1HH1 ARG 119 14.884 -19.807 11.797 904 H ASP 120 H ASP 120 9.669 -16.130 10.402 905 HA ASP 120 HA ASP 120 7.390 -15.971 8.675 906 1HB ASP 120 1HB ASP 120 7.940 -17.984 10.120 907 2HB ASP 120 2HB ASP 120 7.625 -17.005 11.541 908 H LEU 121 H LEU 121 6.452 -13.899 8.642 909 HA LEU 121 HA LEU 121 6.253 -12.485 11.196 910 1HB LEU 121 1HB LEU 121 7.347 -11.487 9.105 911 2HB LEU 121 2HB LEU 121 5.724 -11.357 8.456 912 HG LEU 121 HG LEU 121 5.093 -9.960 10.434 913 1HD1 LEU 121 1HD1 LEU 121 6.607 -10.565 12.121 914 2HD1 LEU 121 2HD1 LEU 121 8.022 -10.294 11.076 915 3HD1 LEU 121 3HD1 LEU 121 7.072 -8.909 11.665 916 1HD2 LEU 121 1HD2 LEU 121 6.760 -8.018 9.674 917 2HD2 LEU 121 2HD2 LEU 121 7.074 -9.174 8.358 918 3HD2 LEU 121 3HD2 LEU 121 5.419 -8.591 8.653 919 H SER 122 H SER 122 4.603 -14.870 10.213 920 HA SER 122 HA SER 122 2.078 -13.784 9.581 921 1HB SER 122 1HB SER 122 2.720 -16.056 8.887 922 2HB SER 122 2HB SER 122 2.916 -16.548 10.558 923 HG SER 122 HG SER 122 0.479 -15.876 9.169 924 H GLN 123 H GLN 123 3.914 -14.292 12.510 925 HA GLN 123 HA GLN 123 1.688 -14.562 14.225 926 1HB GLN 123 1HB GLN 123 4.010 -15.371 14.751 927 2HB GLN 123 2HB GLN 123 4.543 -13.705 14.874 928 1HG GLN 123 1HG GLN 123 2.175 -13.994 16.501 929 2HG GLN 123 2HG GLN 123 3.252 -15.321 16.886 930 1HE2 GLN 123 1HE2 GLN 123 3.926 -14.660 18.840 931 2HE2 GLN 123 2HE2 GLN 123 4.872 -13.242 19.146 932 H TYR 124 H TYR 124 2.877 -11.971 12.391 933 HA TYR 124 HA TYR 124 2.500 -9.873 14.282 934 1HB TYR 124 1HB TYR 124 3.686 -10.278 11.795 935 2HB TYR 124 2HB TYR 124 2.194 -9.505 11.295 936 HD1 TYR 124 1HD TYR 124 2.929 -7.399 10.541 937 HD2 TYR 124 2HD TYR 124 4.188 -8.811 14.378 938 HE1 TYR 124 1HE TYR 124 3.939 -5.124 11.053 939 HE2 TYR 124 2HE TYR 124 5.195 -6.531 14.878 940 HH TYR 124 HH TYR 124 4.438 -3.819 13.196 941 H ILE 125 H ILE 125 0.467 -11.601 11.905 942 HA ILE 125 HA ILE 125 -1.682 -9.685 12.349 943 HB ILE 125 HB ILE 125 -2.823 -11.115 10.602 944 1HG1 ILE 125 1HG1 ILE 125 -0.135 -12.155 9.817 945 2HG1 ILE 125 2HG1 ILE 125 -0.986 -12.992 11.100 946 1HG2 ILE 125 1HG2 ILE 125 -0.909 -9.047 10.402 947 2HG2 ILE 125 2HG2 ILE 125 -0.571 -10.190 9.081 948 3HG2 ILE 125 3HG2 ILE 125 -2.193 -9.478 9.248 949 1HD1 ILE 125 1HD1 ILE 125 -1.910 -12.520 8.242 950 2HD1 ILE 125 2HD1 ILE 125 -1.697 -14.068 9.093 951 3HD1 ILE 125 3HD1 ILE 125 -3.047 -12.994 9.527 952 H ARG 126 H ARG 126 -0.675 -13.046 13.037 953 HA ARG 126 HA ARG 126 -3.200 -13.744 14.082 954 1HB ARG 126 1HB ARG 126 -1.604 -15.431 13.171 955 2HB ARG 126 2HB ARG 126 -0.450 -15.042 14.431 956 1HG ARG 126 1HG ARG 126 -1.683 -17.072 15.055 957 2HG ARG 126 2HG ARG 126 -2.089 -15.781 16.168 958 1HD ARG 126 1HD ARG 126 -4.261 -15.536 15.325 959 2HD ARG 126 2HD ARG 126 -3.823 -16.090 13.721 960 HE ARG 126 HE ARG 126 -3.429 -18.308 15.401 961 1HH1 ARG 126 2HH2 ARG 126 -6.125 -16.232 14.505 962 2HH1 ARG 126 1HH2 ARG 126 -7.318 -17.466 14.733 963 1HH2 ARG 126 2HH1 ARG 126 -5.003 -19.938 15.703 964 2HH2 ARG 126 1HH1 ARG 126 -6.675 -19.588 15.420 965 H ASN 127 H ASN 127 -3.930 -12.629 15.890 966 HA ASN 127 HA ASN 127 -3.062 -13.103 18.349 967 1HB ASN 127 1HB ASN 127 -1.184 -11.295 17.064 968 2HB ASN 127 2HB ASN 127 -2.006 -10.414 18.337 969 1HD2 ASN 127 1HD2 ASN 127 -1.439 -10.705 20.376 970 2HD2 ASN 127 2HD2 ASN 127 -0.349 -11.909 20.981 971 H CYS 128 H CYS 128 -4.271 -10.801 15.941 972 HA CYS 128 HA CYS 128 -5.617 -9.103 17.758 973 1HB CYS 128 1HB CYS 128 -4.955 -8.981 15.105 974 2HB CYS 128 2HB CYS 128 -6.677 -9.293 15.017 975 H GLY 129 H GLY 129 -6.188 -12.253 16.290 976 1HA GLY 129 1HA GLY 129 -7.806 -13.670 17.346 977 2HA GLY 129 2HA GLY 129 -8.880 -12.294 17.505 978 H VAL 130 H VAL 130 -6.914 -12.904 14.576 979 HA VAL 130 HA VAL 130 -9.385 -13.084 13.061 980 HB VAL 130 HB VAL 130 -6.493 -12.577 12.430 981 1HG1 VAL 130 1HG1 VAL 130 -6.693 -13.641 10.471 982 2HG1 VAL 130 2HG1 VAL 130 -8.441 -13.891 10.697 983 3HG1 VAL 130 3HG1 VAL 130 -7.842 -12.366 10.002 984 1HG2 VAL 130 1HG2 VAL 130 -8.764 -10.953 11.367 985 2HG2 VAL 130 2HG2 VAL 130 -8.409 -10.845 13.108 986 3HG2 VAL 130 3HG2 VAL 130 -7.148 -10.446 11.917 Start of MODEL 5 1 H LYS 1 H LYS 1 -6.349 5.742 7.743 2 HA LYS 1 HA LYS 1 -5.312 7.810 7.581 3 1HB LYS 1 1HB LYS 1 -7.512 8.805 8.661 4 2HB LYS 1 2HB LYS 1 -6.554 8.798 10.127 5 1HG LYS 1 1HG LYS 1 -4.841 9.829 8.091 6 2HG LYS 1 2HG LYS 1 -6.393 10.603 7.841 7 1HD LYS 1 1HD LYS 1 -6.391 11.078 10.395 8 2HD LYS 1 2HD LYS 1 -4.703 10.607 10.375 9 1HE LYS 1 1HE LYS 1 -4.048 12.568 9.396 10 2HE LYS 1 2HE LYS 1 -5.345 12.518 8.219 11 1HZ LYS 1 1HZ LYS 1 -5.305 13.743 10.827 12 2HZ LYS 1 2HZ LYS 1 -6.042 14.236 9.455 13 3HZ LYS 1 3HZ LYS 1 -6.721 13.069 10.374 14 H VAL 2 H VAL 2 -5.952 5.990 10.598 15 HA VAL 2 HA VAL 2 -3.083 5.731 10.930 16 HB VAL 2 HB VAL 2 -4.935 6.991 12.950 17 1HG1 VAL 2 1HG1 VAL 2 -3.254 6.740 14.652 18 2HG1 VAL 2 2HG1 VAL 2 -3.613 5.128 13.987 19 3HG1 VAL 2 3HG1 VAL 2 -2.128 5.980 13.501 20 1HG2 VAL 2 1HG2 VAL 2 -3.353 8.795 12.973 21 2HG2 VAL 2 2HG2 VAL 2 -2.198 7.873 11.980 22 3HG2 VAL 2 3HG2 VAL 2 -3.734 8.433 11.273 23 H TYR 3 H TYR 3 -2.751 3.577 11.040 24 HA TYR 3 HA TYR 3 -4.328 2.007 12.856 25 1HB TYR 3 1HB TYR 3 -4.476 0.472 10.516 26 2HB TYR 3 2HB TYR 3 -5.803 1.435 11.133 27 HD1 TYR 3 1HD TYR 3 -6.906 2.370 9.310 28 HD2 TYR 3 2HD TYR 3 -2.629 2.445 9.405 29 HE1 TYR 3 1HE TYR 3 -6.875 3.763 7.183 30 HE2 TYR 3 2HE TYR 3 -2.613 3.838 7.278 31 HH TYR 3 HH TYR 3 -5.435 5.305 6.064 32 H GLU 4 H GLU 4 -3.259 0.099 13.481 33 HA GLU 4 HA GLU 4 -0.559 -0.060 12.425 34 1HB GLU 4 1HB GLU 4 -0.054 -1.323 14.516 35 2HB GLU 4 2HB GLU 4 -0.698 0.273 14.842 36 1HG GLU 4 1HG GLU 4 -2.923 -0.643 15.306 37 2HG GLU 4 2HG GLU 4 -2.431 -2.238 14.771 38 H ARG 5 H ARG 5 0.300 -2.556 12.778 39 HA ARG 5 HA ARG 5 -0.536 -3.984 10.748 40 1HB ARG 5 1HB ARG 5 -0.022 -6.054 12.485 41 2HB ARG 5 2HB ARG 5 1.229 -5.088 11.730 42 1HG ARG 5 1HG ARG 5 1.607 -3.801 13.665 43 2HG ARG 5 2HG ARG 5 -0.006 -4.074 14.294 44 1HD ARG 5 1HD ARG 5 0.705 -6.583 14.512 45 2HD ARG 5 2HD ARG 5 2.344 -6.010 14.280 46 HE ARG 5 HE ARG 5 0.733 -5.697 16.675 47 1HH1 ARG 5 2HH2 ARG 5 3.280 -4.172 14.785 48 2HH1 ARG 5 1HH2 ARG 5 3.946 -3.318 16.137 49 1HH2 ARG 5 2HH1 ARG 5 1.612 -4.570 18.458 50 2HH2 ARG 5 1HH1 ARG 5 2.992 -3.547 18.240 51 H CYS 6 H CYS 6 -1.926 -4.216 14.096 52 HA CYS 6 HA CYS 6 -3.747 -6.214 13.596 53 1HB CYS 6 1HB CYS 6 -3.283 -4.207 15.648 54 2HB CYS 6 2HB CYS 6 -4.994 -4.503 15.416 55 H GLU 7 H GLU 7 -4.707 -2.740 14.047 56 HA GLU 7 HA GLU 7 -7.105 -2.772 12.994 57 1HB GLU 7 1HB GLU 7 -4.943 -0.757 13.118 58 2HB GLU 7 2HB GLU 7 -6.123 -0.420 11.868 59 1HG GLU 7 1HG GLU 7 -7.879 -0.148 13.387 60 2HG GLU 7 2HG GLU 7 -7.182 -1.245 14.561 61 H PHE 8 H PHE 8 -4.225 -1.979 10.903 62 HA PHE 8 HA PHE 8 -5.405 -1.947 8.498 63 1HB PHE 8 1HB PHE 8 -2.882 -1.826 9.393 64 2HB PHE 8 2HB PHE 8 -2.843 -3.537 9.016 65 HD1 PHE 8 1HD PHE 8 -3.843 -0.322 7.391 66 HD2 PHE 8 2HD PHE 8 -2.060 -4.146 6.939 67 HE1 PHE 8 1HE PHE 8 -3.294 0.217 5.002 68 HE2 PHE 8 2HE PHE 8 -1.511 -3.607 4.549 69 HZ PHE 8 HZ PHE 8 -2.134 -1.432 3.610 70 H ALA 9 H ALA 9 -4.184 -4.929 10.176 71 HA ALA 9 HA ALA 9 -4.878 -6.714 8.170 72 1HB ALA 9 1HB ALA 9 -3.423 -7.075 10.227 73 2HB ALA 9 2HB ALA 9 -4.928 -7.250 11.161 74 3HB ALA 9 3HB ALA 9 -4.555 -8.394 9.851 75 H ARG 10 H ARG 10 -6.728 -5.727 11.140 76 HA ARG 10 HA ARG 10 -8.905 -7.250 10.757 77 1HB ARG 10 1HB ARG 10 -8.330 -5.523 12.635 78 2HB ARG 10 2HB ARG 10 -9.126 -4.334 11.622 79 1HG ARG 10 1HG ARG 10 -10.981 -5.005 12.819 80 2HG ARG 10 2HG ARG 10 -11.056 -6.230 11.567 81 1HD ARG 10 1HD ARG 10 -9.275 -7.357 13.408 82 2HD ARG 10 2HD ARG 10 -10.415 -6.521 14.445 83 HE ARG 10 HE ARG 10 -10.972 -8.849 12.756 84 1HH1 ARG 10 2HH2 ARG 10 -12.390 -6.101 14.434 85 2HH1 ARG 10 1HH2 ARG 10 -13.963 -6.815 14.542 86 1HH2 ARG 10 2HH1 ARG 10 -13.049 -9.793 12.898 87 2HH2 ARG 10 1HH1 ARG 10 -14.341 -8.929 13.662 88 H THR 11 H THR 11 -8.423 -3.850 9.537 89 HA THR 11 HA THR 11 -10.807 -3.657 8.129 90 HB THR 11 HB THR 11 -8.042 -2.394 7.792 91 HG1 THR 11 1HG THR 11 -9.539 -2.120 9.734 92 1HG2 THR 11 1HG2 THR 11 -9.252 -2.087 5.653 93 2HG2 THR 11 2HG2 THR 11 -10.729 -1.630 6.535 94 3HG2 THR 11 3HG2 THR 11 -9.301 -0.570 6.582 95 H LEU 12 H LEU 12 -7.547 -4.658 6.890 96 HA LEU 12 HA LEU 12 -8.225 -5.115 4.307 97 1HB LEU 12 1HB LEU 12 -6.082 -5.666 6.006 98 2HB LEU 12 2HB LEU 12 -6.529 -7.228 5.349 99 HG LEU 12 HG LEU 12 -6.525 -5.744 3.073 100 1HD1 LEU 12 1HD1 LEU 12 -4.366 -4.543 4.829 101 2HD1 LEU 12 2HD1 LEU 12 -4.553 -4.288 3.077 102 3HD1 LEU 12 3HD1 LEU 12 -5.805 -3.705 4.200 103 1HD2 LEU 12 1HD2 LEU 12 -5.111 -7.365 2.541 104 2HD2 LEU 12 2HD2 LEU 12 -3.833 -6.608 3.522 105 3HD2 LEU 12 3HD2 LEU 12 -4.950 -7.776 4.266 106 H LYS 13 H LYS 13 -8.591 -7.426 7.078 107 HA LYS 13 HA LYS 13 -9.814 -9.400 5.468 108 1HB LYS 13 1HB LYS 13 -8.603 -9.477 7.835 109 2HB LYS 13 2HB LYS 13 -10.240 -9.274 8.428 110 1HG LYS 13 1HG LYS 13 -10.496 -11.515 8.154 111 2HG LYS 13 2HG LYS 13 -10.542 -11.212 6.429 112 1HD LYS 13 1HD LYS 13 -7.863 -11.229 6.714 113 2HD LYS 13 2HD LYS 13 -8.251 -12.194 8.125 114 1HE LYS 13 1HE LYS 13 -9.633 -13.720 6.654 115 2HE LYS 13 2HE LYS 13 -9.133 -12.786 5.259 116 1HZ LYS 13 1HZ LYS 13 -7.516 -14.320 5.266 117 2HZ LYS 13 2HZ LYS 13 -6.794 -13.298 6.315 118 3HZ LYS 13 3HZ LYS 13 -7.591 -14.610 6.871 119 H ARG 14 H ARG 14 -10.926 -6.493 7.142 120 HA ARG 14 HA ARG 14 -13.624 -7.289 7.203 121 1HB ARG 14 1HB ARG 14 -12.567 -5.514 8.683 122 2HB ARG 14 2HB ARG 14 -12.448 -4.464 7.285 123 1HG ARG 14 1HG ARG 14 -14.909 -4.504 7.001 124 2HG ARG 14 2HG ARG 14 -15.069 -5.644 8.322 125 1HD ARG 14 1HD ARG 14 -15.433 -3.718 9.544 126 2HD ARG 14 2HD ARG 14 -13.683 -3.713 9.635 127 HE ARG 14 HE ARG 14 -14.158 -2.362 7.277 128 1HH1 ARG 14 2HH2 ARG 14 -15.386 -1.982 10.553 129 2HH1 ARG 14 1HH2 ARG 14 -15.629 -0.273 10.400 130 1HH2 ARG 14 2HH1 ARG 14 -14.478 -0.108 7.076 131 2HH2 ARG 14 1HH1 ARG 14 -15.108 0.800 8.409 132 H ASN 15 H ASN 15 -11.452 -5.853 4.821 133 HA ASN 15 HA ASN 15 -13.639 -4.887 3.230 134 1HB ASN 15 1HB ASN 15 -11.021 -4.066 3.516 135 2HB ASN 15 2HB ASN 15 -10.874 -5.053 2.075 136 1HD2 ASN 15 1HD2 ASN 15 -11.997 -2.130 3.449 137 2HD2 ASN 15 2HD2 ASN 15 -12.660 -1.391 2.030 138 H GLY 16 H GLY 16 -11.110 -7.465 3.299 139 1HA GLY 16 1HA GLY 16 -11.671 -9.643 2.482 140 2HA GLY 16 2HA GLY 16 -12.605 -8.904 1.197 141 H MET 17 H MET 17 -9.265 -8.255 2.485 142 HA MET 17 HA MET 17 -8.316 -8.796 -0.222 143 1HB MET 17 1HB MET 17 -8.322 -6.320 1.110 144 2HB MET 17 2HB MET 17 -6.704 -6.911 1.428 145 1HG MET 17 1HG MET 17 -7.329 -7.422 -1.357 146 2HG MET 17 2HG MET 17 -7.716 -5.751 -1.002 147 1HE MET 17 1HE MET 17 -4.866 -4.426 -2.191 148 2HE MET 17 2HE MET 17 -4.622 -6.023 -2.937 149 3HE MET 17 3HE MET 17 -6.268 -5.373 -2.744 150 H ALA 18 H ALA 18 -7.642 -8.781 3.312 151 HA ALA 18 HA ALA 18 -5.097 -9.732 3.371 152 1HB ALA 18 1HB ALA 18 -5.965 -9.259 5.457 153 2HB ALA 18 2HB ALA 18 -7.532 -10.024 5.099 154 3HB ALA 18 3HB ALA 18 -6.114 -11.032 5.472 155 H GLY 19 H GLY 19 -4.177 -11.369 2.247 156 1HA GLY 19 1HA GLY 19 -3.812 -13.606 1.819 157 2HA GLY 19 2HA GLY 19 -5.443 -13.992 2.333 158 H TYR 20 H TYR 20 -4.802 -11.304 0.084 159 HA TYR 20 HA TYR 20 -6.657 -12.004 -1.771 160 1HB TYR 20 1HB TYR 20 -5.109 -9.912 -1.457 161 2HB TYR 20 2HB TYR 20 -3.869 -10.813 -2.305 162 HD1 TYR 20 1HD TYR 20 -3.619 -10.364 -4.562 163 HD2 TYR 20 2HD TYR 20 -7.488 -9.914 -2.790 164 HE1 TYR 20 1HE TYR 20 -4.548 -9.542 -6.781 165 HE2 TYR 20 2HE TYR 20 -8.403 -9.093 -5.015 166 HH TYR 20 HH TYR 20 -7.916 -9.226 -7.319 167 H TYR 21 H TYR 21 -5.932 -12.401 -4.261 168 HA TYR 21 HA TYR 21 -5.607 -14.982 -4.701 169 1HB TYR 21 1HB TYR 21 -4.954 -12.408 -6.034 170 2HB TYR 21 2HB TYR 21 -3.903 -13.687 -6.610 171 HD1 TYR 21 1HD TYR 21 -4.853 -15.666 -7.778 172 HD2 TYR 21 2HD TYR 21 -7.302 -12.360 -6.602 173 HE1 TYR 21 1HE TYR 21 -6.688 -16.455 -9.352 174 HE2 TYR 21 2HE TYR 21 -9.128 -13.161 -8.179 175 HH TYR 21 HH TYR 21 -8.552 -15.576 -10.525 176 H GLY 22 H GLY 22 -2.762 -12.714 -4.549 177 1HA GLY 22 1HA GLY 22 -1.084 -15.075 -3.944 178 2HA GLY 22 2HA GLY 22 -0.548 -13.668 -4.840 179 H VAL 23 H VAL 23 -1.038 -11.454 -3.553 180 HA VAL 23 HA VAL 23 0.670 -11.293 -1.472 181 HB VAL 23 HB VAL 23 -1.858 -9.657 -1.696 182 1HG1 VAL 23 1HG1 VAL 23 -0.746 -8.905 0.195 183 2HG1 VAL 23 2HG1 VAL 23 0.864 -9.243 -0.484 184 3HG1 VAL 23 3HG1 VAL 23 -0.073 -7.846 -1.067 185 1HG2 VAL 23 1HG2 VAL 23 0.414 -9.921 -3.574 186 2HG2 VAL 23 2HG2 VAL 23 -1.243 -9.329 -3.846 187 3HG2 VAL 23 3HG2 VAL 23 -0.018 -8.251 -3.133 188 H SER 24 H SER 24 0.767 -12.171 0.524 189 HA SER 24 HA SER 24 -1.652 -13.328 1.564 190 1HB SER 24 1HB SER 24 1.022 -14.098 1.592 191 2HB SER 24 2HB SER 24 0.799 -13.490 3.220 192 HG SER 24 HG SER 24 -1.375 -14.992 2.643 193 H LEU 25 H LEU 25 -2.528 -12.808 3.677 194 HA LEU 25 HA LEU 25 -2.766 -10.190 4.293 195 1HB LEU 25 1HB LEU 25 -4.260 -11.748 5.210 196 2HB LEU 25 2HB LEU 25 -2.981 -12.670 5.975 197 HG LEU 25 HG LEU 25 -2.596 -10.874 7.588 198 1HD1 LEU 25 1HD1 LEU 25 -3.985 -9.282 5.683 199 2HD1 LEU 25 2HD1 LEU 25 -4.905 -9.243 7.206 200 3HD1 LEU 25 3HD1 LEU 25 -3.187 -8.776 7.192 201 1HD2 LEU 25 1HD2 LEU 25 -4.153 -11.739 8.919 202 2HD2 LEU 25 2HD2 LEU 25 -5.474 -11.021 7.966 203 3HD2 LEU 25 3HD2 LEU 25 -4.785 -12.592 7.489 204 H ALA 26 H ALA 26 -0.297 -12.502 5.567 205 HA ALA 26 HA ALA 26 0.894 -10.688 7.328 206 1HB ALA 26 1HB ALA 26 1.969 -12.591 7.840 207 2HB ALA 26 2HB ALA 26 1.250 -13.376 6.413 208 3HB ALA 26 3HB ALA 26 2.818 -12.543 6.277 209 H ASP 27 H ASP 27 1.383 -11.400 3.835 210 HA ASP 27 HA ASP 27 3.693 -9.900 3.562 211 1HB ASP 27 1HB ASP 27 1.466 -10.471 1.549 212 2HB ASP 27 2HB ASP 27 3.043 -9.839 1.118 213 H TRP 28 H TRP 28 0.182 -9.130 3.450 214 HA TRP 28 HA TRP 28 0.429 -6.542 2.378 215 1HB TRP 28 1HB TRP 28 -1.687 -8.050 3.866 216 2HB TRP 28 2HB TRP 28 -1.864 -6.323 3.631 217 HD1 TRP 28 HD TRP 28 -3.110 -9.251 2.044 218 HE1 TRP 28 1HE TRP 28 -3.629 -9.029 -0.534 219 HE3 TRP 28 3HE TRP 28 -0.374 -5.027 1.319 220 HZ2 TRP 28 2HZ TRP 28 -2.855 -7.155 -2.542 221 HZ3 TRP 28 3HZ TRP 28 -0.307 -4.066 -0.980 222 HH2 TRP 28 HH TRP 28 -1.490 -5.061 -2.873 223 H VAL 29 H VAL 29 -0.057 -7.747 5.782 224 HA VAL 29 HA VAL 29 0.190 -5.287 7.014 225 HB VAL 29 HB VAL 29 0.806 -8.100 7.918 226 1HG1 VAL 29 1HG1 VAL 29 1.646 -5.721 9.185 227 2HG1 VAL 29 2HG1 VAL 29 0.233 -6.298 10.100 228 3HG1 VAL 29 3HG1 VAL 29 1.634 -7.370 9.856 229 1HG2 VAL 29 1HG2 VAL 29 -1.410 -8.279 8.066 230 2HG2 VAL 29 2HG2 VAL 29 -1.420 -6.956 9.257 231 3HG2 VAL 29 3HG2 VAL 29 -1.611 -6.595 7.524 232 H CYS 30 H CYS 30 2.748 -7.843 6.599 233 HA CYS 30 HA CYS 30 4.827 -6.425 7.623 234 1HB CYS 30 1HB CYS 30 6.179 -8.043 6.789 235 2HB CYS 30 2HB CYS 30 4.633 -8.858 6.660 236 H LEU 31 H LEU 31 3.407 -6.380 4.300 237 HA LEU 31 HA LEU 31 5.324 -4.683 3.172 238 1HB LEU 31 1HB LEU 31 3.955 -5.987 1.766 239 2HB LEU 31 2HB LEU 31 2.478 -5.378 2.488 240 HG LEU 31 HG LEU 31 3.057 -3.104 1.540 241 1HD1 LEU 31 1HD1 LEU 31 4.845 -2.716 0.214 242 2HD1 LEU 31 2HD1 LEU 31 5.539 -4.064 1.148 243 3HD1 LEU 31 3HD1 LEU 31 4.845 -4.362 -0.464 244 1HD2 LEU 31 1HD2 LEU 31 1.342 -4.174 0.418 245 2HD2 LEU 31 2HD2 LEU 31 2.524 -3.890 -0.883 246 3HD2 LEU 31 3HD2 LEU 31 2.388 -5.503 -0.140 247 H ALA 32 H ALA 32 1.990 -3.944 4.426 248 HA ALA 32 HA ALA 32 2.210 -1.195 4.164 249 1HB ALA 32 1HB ALA 32 0.343 -3.084 5.086 250 2HB ALA 32 2HB ALA 32 0.631 -2.009 6.475 251 3HB ALA 32 3HB ALA 32 0.095 -1.331 4.919 252 H GLN 33 H GLN 33 3.638 -3.435 6.473 253 HA GLN 33 HA GLN 33 4.059 -1.506 8.483 254 1HB GLN 33 1HB GLN 33 4.031 -4.099 8.670 255 2HB GLN 33 2HB GLN 33 5.684 -4.045 8.093 256 1HG GLN 33 1HG GLN 33 5.614 -4.068 10.572 257 2HG GLN 33 2HG GLN 33 6.339 -2.587 9.982 258 1HE2 GLN 33 1HE2 GLN 33 5.691 -0.808 10.902 259 2HE2 GLN 33 2HE2 GLN 33 4.156 -0.502 11.645 260 H HIS 34 H HIS 34 6.240 -3.081 6.033 261 HA HIS 34 HA HIS 34 8.464 -1.535 6.665 262 1HB HIS 34 1HB HIS 34 8.217 -3.714 5.276 263 2HB HIS 34 2HB HIS 34 7.915 -2.649 3.918 264 HD1 HIS 34 1HD HIS 34 10.584 -4.482 5.227 265 HD2 HIS 34 2HD HIS 34 10.213 -0.477 4.034 266 HE1 HIS 34 1HE HIS 34 12.951 -3.654 4.754 267 HE2 HIS 34 2HE HIS 34 12.653 -1.205 3.972 268 H GLU 35 H GLU 35 5.523 -0.817 4.896 269 HA GLU 35 HA GLU 35 6.644 1.290 3.383 270 1HB GLU 35 1HB GLU 35 3.777 0.513 4.058 271 2HB GLU 35 2HB GLU 35 4.169 1.873 3.024 272 1HG GLU 35 1HG GLU 35 5.335 -0.874 2.457 273 2HG GLU 35 2HG GLU 35 3.714 -0.473 1.924 274 H SER 36 H SER 36 4.356 1.205 6.218 275 HA SER 36 HA SER 36 5.720 3.174 7.592 276 1HB SER 36 1HB SER 36 4.777 4.562 5.645 277 2HB SER 36 2HB SER 36 3.182 4.251 6.297 278 HG SER 36 HG SER 36 5.204 5.967 7.230 279 H ASN 37 H ASN 37 2.242 2.395 6.813 280 HA ASN 37 HA ASN 37 0.592 1.712 8.040 281 1HB ASN 37 1HB ASN 37 2.518 -0.121 8.518 282 2HB ASN 37 2HB ASN 37 2.404 0.514 10.149 283 1HD2 ASN 37 1HD2 ASN 37 0.220 -0.361 7.468 284 2HD2 ASN 37 2HD2 ASN 37 -0.930 -1.256 8.405 285 H TYR 38 H TYR 38 0.124 1.398 10.822 286 HA TYR 38 HA TYR 38 -0.314 2.538 12.671 287 1HB TYR 38 1HB TYR 38 2.462 3.335 11.799 288 2HB TYR 38 2HB TYR 38 1.730 4.428 12.957 289 HD1 TYR 38 1HD TYR 38 1.772 0.685 12.588 290 HD2 TYR 38 2HD TYR 38 2.550 4.066 15.091 291 HE1 TYR 38 1HE TYR 38 2.449 -0.866 14.486 292 HE2 TYR 38 2HE TYR 38 3.223 2.504 16.980 293 HH TYR 38 HH TYR 38 2.953 0.325 17.693 294 H ASN 39 H ASN 39 1.409 5.163 10.853 295 HA ASN 39 HA ASN 39 -1.129 6.597 10.911 296 1HB ASN 39 1HB ASN 39 1.636 7.899 10.939 297 2HB ASN 39 2HB ASN 39 0.096 8.673 11.262 298 1HD2 ASN 39 1HD2 ASN 39 1.471 9.310 13.162 299 2HD2 ASN 39 2HD2 ASN 39 1.393 8.324 14.584 300 H THR 40 H THR 40 -1.711 7.641 8.924 301 HA THR 40 HA THR 40 -0.214 6.784 6.607 302 HB THR 40 HB THR 40 -2.204 7.824 5.440 303 HG1 THR 40 1HG THR 40 -2.251 9.322 7.536 304 1HG2 THR 40 1HG2 THR 40 -4.022 6.506 6.857 305 2HG2 THR 40 2HG2 THR 40 -2.760 5.587 6.004 306 3HG2 THR 40 3HG2 THR 40 -2.610 5.893 7.750 307 H ARG 41 H ARG 41 1.667 8.151 7.720 308 HA ARG 41 HA ARG 41 1.398 10.880 6.782 309 1HB ARG 41 1HB ARG 41 2.167 10.541 9.135 310 2HB ARG 41 2HB ARG 41 3.519 9.581 8.568 311 1HG ARG 41 1HG ARG 41 4.569 11.467 7.516 312 2HG ARG 41 2HG ARG 41 3.104 12.429 7.581 313 1HD ARG 41 1HD ARG 41 3.762 13.278 9.580 314 2HD ARG 41 2HD ARG 41 3.680 11.676 10.282 315 HE ARG 41 HE ARG 41 6.018 11.473 10.087 316 1HH1 ARG 41 2HH2 ARG 41 4.902 14.263 8.256 317 2HH1 ARG 41 1HH2 ARG 41 6.497 14.875 7.970 318 1HH2 ARG 41 2HH1 ARG 41 8.123 12.280 9.711 319 2HH2 ARG 41 1HH1 ARG 41 8.341 13.739 8.804 320 H ALA 42 H ALA 42 2.699 7.798 5.952 321 HA ALA 42 HA ALA 42 5.122 8.361 4.800 322 1HB ALA 42 1HB ALA 42 3.181 6.254 4.827 323 2HB ALA 42 2HB ALA 42 3.683 6.517 3.140 324 3HB ALA 42 3HB ALA 42 4.904 6.167 4.386 325 H THR 43 H THR 43 5.234 10.400 3.792 326 HA THR 43 HA THR 43 3.921 10.476 1.178 327 HB THR 43 HB THR 43 3.482 12.987 1.728 328 HG1 THR 43 1HG THR 43 4.882 12.712 3.719 329 1HG2 THR 43 1HG2 THR 43 1.494 11.638 1.698 330 2HG2 THR 43 2HG2 THR 43 2.022 10.695 3.113 331 3HG2 THR 43 3HG2 THR 43 1.494 12.383 3.314 332 H ASN 44 H ASN 44 5.203 11.178 -0.454 333 HA ASN 44 HA ASN 44 7.553 12.675 0.259 334 1HB ASN 44 1HB ASN 44 7.816 9.934 0.061 335 2HB ASN 44 2HB ASN 44 8.084 10.390 -1.610 336 1HD2 ASN 44 1HD2 ASN 44 9.824 11.672 -2.185 337 2HD2 ASN 44 2HD2 ASN 44 11.190 11.936 -1.155 338 H TYR 45 H TYR 45 6.695 14.400 -1.048 339 HA TYR 45 HA TYR 45 5.835 13.787 -3.747 340 1HB TYR 45 1HB TYR 45 5.126 16.146 -3.640 341 2HB TYR 45 2HB TYR 45 4.743 15.438 -2.083 342 HD1 TYR 45 1HD TYR 45 7.146 17.624 -3.876 343 HD2 TYR 45 2HD TYR 45 5.786 16.218 -0.071 344 HE1 TYR 45 1HE TYR 45 8.507 19.430 -2.714 345 HE2 TYR 45 2HE TYR 45 7.152 18.028 1.078 346 HH TYR 45 HH TYR 45 9.232 20.189 -0.811 347 H ASN 46 H ASN 46 6.730 14.898 -5.637 348 HA ASN 46 HA ASN 46 9.216 16.229 -5.322 349 1HB ASN 46 1HB ASN 46 9.098 13.451 -6.601 350 2HB ASN 46 2HB ASN 46 10.422 14.564 -6.884 351 1HD2 ASN 46 1HD2 ASN 46 11.765 15.204 -5.166 352 2HD2 ASN 46 2HD2 ASN 46 11.943 14.251 -3.731 353 H ARG 47 H ARG 47 8.557 17.927 -6.685 354 HA ARG 47 HA ARG 47 6.911 17.409 -8.912 355 1HB ARG 47 1HB ARG 47 7.313 19.603 -7.374 356 2HB ARG 47 2HB ARG 47 8.441 19.997 -8.657 357 1HG ARG 47 1HG ARG 47 6.638 19.749 -10.351 358 2HG ARG 47 2HG ARG 47 5.504 19.280 -9.101 359 1HD ARG 47 1HD ARG 47 5.141 21.636 -9.551 360 2HD ARG 47 2HD ARG 47 5.899 21.524 -7.975 361 HE ARG 47 HE ARG 47 7.141 22.551 -10.456 362 1HH1 ARG 47 2HH2 ARG 47 7.599 21.558 -7.112 363 2HH1 ARG 47 1HH2 ARG 47 9.102 22.399 -6.934 364 1HH2 ARG 47 2HH1 ARG 47 9.124 23.662 -10.222 365 2HH2 ARG 47 1HH1 ARG 47 9.976 23.603 -8.715 366 H GLY 48 H GLY 48 10.390 17.758 -8.297 367 1HA GLY 48 1HA GLY 48 11.605 18.534 -10.506 368 2HA GLY 48 2HA GLY 48 12.098 17.081 -9.659 369 H ASP 49 H ASP 49 9.827 15.395 -10.199 370 HA ASP 49 HA ASP 49 9.889 15.286 -13.106 371 1HB ASP 49 1HB ASP 49 11.249 13.514 -11.421 372 2HB ASP 49 2HB ASP 49 9.751 12.662 -11.736 373 H GLN 50 H GLN 50 7.857 16.373 -11.281 374 HA GLN 50 HA GLN 50 5.802 16.075 -10.517 375 1HB GLN 50 1HB GLN 50 5.700 16.563 -13.043 376 2HB GLN 50 2HB GLN 50 5.325 14.867 -13.270 377 1HG GLN 50 1HG GLN 50 3.683 16.194 -11.174 378 2HG GLN 50 2HG GLN 50 3.456 16.859 -12.779 379 1HE2 GLN 50 1HE2 GLN 50 1.703 15.247 -11.045 380 2HE2 GLN 50 2HE2 GLN 50 1.218 13.863 -11.967 381 H SER 51 H SER 51 6.880 14.189 -9.134 382 HA SER 51 HA SER 51 5.079 11.958 -9.464 383 1HB SER 51 1HB SER 51 6.752 10.271 -9.398 384 2HB SER 51 2HB SER 51 7.340 11.429 -10.575 385 HG SER 51 HG SER 51 8.853 12.216 -9.113 386 H THR 52 H THR 52 4.226 11.356 -7.482 387 HA THR 52 HA THR 52 5.699 12.239 -5.090 388 HB THR 52 HB THR 52 2.684 12.382 -5.618 389 HG1 THR 52 1HG THR 52 4.894 14.303 -5.389 390 1HG2 THR 52 1HG2 THR 52 3.834 14.057 -3.494 391 2HG2 THR 52 2HG2 THR 52 2.440 12.952 -3.415 392 3HG2 THR 52 3HG2 THR 52 4.086 12.327 -3.156 393 H ASP 53 H ASP 53 6.131 10.689 -3.646 394 HA ASP 53 HA ASP 53 4.729 8.176 -4.071 395 1HB ASP 53 1HB ASP 53 7.500 8.938 -3.265 396 2HB ASP 53 2HB ASP 53 6.829 7.584 -2.380 397 H TYR 54 H TYR 54 2.978 8.164 -2.617 398 HA TYR 54 HA TYR 54 3.614 8.361 0.196 399 1HB TYR 54 1HB TYR 54 1.842 10.103 0.513 400 2HB TYR 54 2HB TYR 54 3.045 10.706 -0.609 401 HD1 TYR 54 1HD TYR 54 2.461 9.911 -3.194 402 HD2 TYR 54 2HD TYR 54 -0.347 10.597 -0.041 403 HE1 TYR 54 1HE TYR 54 0.634 10.352 -4.907 404 HE2 TYR 54 2HE TYR 54 -2.164 11.037 -1.763 405 HH TYR 54 HH TYR 54 -2.299 10.101 -4.515 406 H GLY 55 H GLY 55 1.701 7.691 1.562 407 1HA GLY 55 1HA GLY 55 -0.570 6.776 1.451 408 2HA GLY 55 2HA GLY 55 -0.074 5.892 0.022 409 H ILE 56 H ILE 56 -1.144 4.724 2.473 410 HA ILE 56 HA ILE 56 0.676 3.793 4.265 411 HB ILE 56 HB ILE 56 -1.681 3.450 4.495 412 1HG1 ILE 56 1HG1 ILE 56 -1.294 0.650 4.508 413 2HG1 ILE 56 2HG1 ILE 56 0.279 1.353 4.827 414 1HG2 ILE 56 1HG2 ILE 56 -1.682 1.313 2.379 415 2HG2 ILE 56 2HG2 ILE 56 -3.048 2.195 3.102 416 3HG2 ILE 56 3HG2 ILE 56 -1.964 3.018 1.955 417 1HD1 ILE 56 1HD1 ILE 56 -2.284 2.116 6.301 418 2HD1 ILE 56 2HD1 ILE 56 -1.046 0.996 6.919 419 3HD1 ILE 56 3HD1 ILE 56 -0.647 2.712 6.663 420 H PHE 57 H PHE 57 0.157 2.789 0.878 421 HA PHE 57 HA PHE 57 2.277 0.800 1.229 422 1HB PHE 57 1HB PHE 57 -0.033 1.299 -0.709 423 2HB PHE 57 2HB PHE 57 1.299 0.280 -1.217 424 HD1 PHE 57 1HD PHE 57 -1.857 -0.062 -0.325 425 HD2 PHE 57 2HD PHE 57 1.934 -1.279 1.144 426 HE1 PHE 57 1HE PHE 57 -2.928 -2.028 0.811 427 HE2 PHE 57 2HE PHE 57 0.863 -3.243 2.280 428 HZ PHE 57 HZ PHE 57 -1.555 -3.595 2.100 429 H GLN 58 H GLN 58 2.531 3.851 0.943 430 HA GLN 58 HA GLN 58 3.531 5.352 -0.327 431 1HB GLN 58 1HB GLN 58 5.325 3.759 0.788 432 2HB GLN 58 2HB GLN 58 5.671 3.281 -0.861 433 1HG GLN 58 1HG GLN 58 6.859 5.178 -1.213 434 2HG GLN 58 2HG GLN 58 5.477 6.167 -0.781 435 1HE2 GLN 58 1HE2 GLN 58 7.071 7.603 0.106 436 2HE2 GLN 58 2HE2 GLN 58 7.687 7.363 1.707 437 H ILE 59 H ILE 59 2.046 5.529 -2.113 438 HA ILE 59 HA ILE 59 2.823 3.985 -4.480 439 HB ILE 59 HB ILE 59 0.260 5.275 -3.595 440 1HG1 ILE 59 1HG1 ILE 59 0.816 2.496 -4.667 441 2HG1 ILE 59 2HG1 ILE 59 0.867 2.904 -2.963 442 1HG2 ILE 59 1HG2 ILE 59 0.758 5.983 -5.938 443 2HG2 ILE 59 2HG2 ILE 59 0.801 4.264 -6.398 444 3HG2 ILE 59 3HG2 ILE 59 -0.702 4.980 -5.768 445 1HD1 ILE 59 1HD1 ILE 59 -1.373 2.617 -2.861 446 2HD1 ILE 59 2HD1 ILE 59 -1.574 4.002 -3.961 447 3HD1 ILE 59 3HD1 ILE 59 -1.442 2.353 -4.620 448 H ASN 60 H ASN 60 3.283 5.047 -6.456 449 HA ASN 60 HA ASN 60 4.234 7.723 -6.023 450 1HB ASN 60 1HB ASN 60 4.839 5.478 -7.837 451 2HB ASN 60 2HB ASN 60 4.693 6.982 -8.726 452 1HD2 ASN 60 1HD2 ASN 60 6.719 5.021 -6.993 453 2HD2 ASN 60 2HD2 ASN 60 7.994 6.127 -6.604 454 H SER 61 H SER 61 3.394 9.565 -7.163 455 HA SER 61 HA SER 61 0.805 9.108 -8.337 456 1HB SER 61 1HB SER 61 0.833 10.883 -6.737 457 2HB SER 61 2HB SER 61 2.307 11.569 -7.390 458 HG SER 61 HG SER 61 0.312 11.443 -9.317 459 H ARG 62 H ARG 62 3.757 8.711 -9.528 460 HA ARG 62 HA ARG 62 3.548 10.469 -11.784 461 1HB ARG 62 1HB ARG 62 5.802 10.231 -11.154 462 2HB ARG 62 2HB ARG 62 5.612 8.548 -10.705 463 1HG ARG 62 1HG ARG 62 5.773 7.785 -12.929 464 2HG ARG 62 2HG ARG 62 5.241 9.311 -13.606 465 1HD ARG 62 1HD ARG 62 7.555 10.109 -12.332 466 2HD ARG 62 2HD ARG 62 7.978 8.463 -12.760 467 HE ARG 62 HE ARG 62 7.468 10.688 -14.625 468 1HH1 ARG 62 2HH2 ARG 62 7.814 7.207 -14.245 469 2HH1 ARG 62 1HH2 ARG 62 8.182 6.933 -15.915 470 1HH2 ARG 62 2HH1 ARG 62 7.951 10.327 -16.829 471 2HH2 ARG 62 1HH1 ARG 62 8.261 8.719 -17.395 472 H TYR 63 H TYR 63 2.844 7.143 -10.830 473 HA TYR 63 HA TYR 63 2.212 6.508 -13.635 474 1HB TYR 63 1HB TYR 63 3.921 5.272 -11.762 475 2HB TYR 63 2HB TYR 63 2.436 4.372 -11.535 476 HD1 TYR 63 1HD TYR 63 1.528 2.959 -13.332 477 HD2 TYR 63 2HD TYR 63 5.195 5.103 -13.837 478 HE1 TYR 63 1HE TYR 63 2.092 1.530 -15.358 479 HE2 TYR 63 2HE TYR 63 5.748 3.666 -15.861 480 HH TYR 63 HH TYR 63 3.668 2.047 -17.541 481 H TRP 64 H TRP 64 1.270 5.831 -10.188 482 HA TRP 64 HA TRP 64 -1.436 5.277 -11.150 483 1HB TRP 64 1HB TRP 64 -0.253 4.808 -8.410 484 2HB TRP 64 2HB TRP 64 -1.813 4.262 -8.995 485 HD1 TRP 64 HD TRP 64 1.712 3.094 -8.719 486 HE1 TRP 64 1HE TRP 64 2.162 0.833 -10.004 487 HE3 TRP 64 3HE TRP 64 -2.633 3.120 -11.360 488 HZ2 TRP 64 2HZ TRP 64 0.683 -0.657 -11.937 489 HZ3 TRP 64 3HZ TRP 64 -3.053 1.225 -12.923 490 HH2 TRP 64 HH TRP 64 -1.480 -0.619 -13.234 491 H CYS 65 H CYS 65 -3.251 6.262 -9.835 492 HA CYS 65 HA CYS 65 -4.315 8.013 -9.051 493 1HB CYS 65 1HB CYS 65 -3.675 8.745 -7.045 494 2HB CYS 65 2HB CYS 65 -2.393 7.562 -7.212 495 H ASN 66 H ASN 66 -4.634 10.354 -9.454 496 HA ASN 66 HA ASN 66 -2.628 11.410 -11.286 497 1HB ASN 66 1HB ASN 66 -4.925 12.624 -12.170 498 2HB ASN 66 2HB ASN 66 -4.299 11.142 -12.864 499 1HD2 ASN 66 1HD2 ASN 66 -6.758 12.627 -10.986 500 2HD2 ASN 66 2HD2 ASN 66 -7.779 11.252 -10.734 501 H ASP 67 H ASP 67 -3.069 13.956 -11.543 502 HA ASP 67 HA ASP 67 -3.958 14.966 -8.958 503 1HB ASP 67 1HB ASP 67 -2.171 16.738 -9.202 504 2HB ASP 67 2HB ASP 67 -1.541 15.119 -8.966 505 H GLY 68 H GLY 68 -3.203 15.636 -12.443 506 1HA GLY 68 1HA GLY 68 -4.655 16.635 -13.947 507 2HA GLY 68 2HA GLY 68 -5.596 17.304 -12.628 508 H LYS 69 H LYS 69 -2.398 17.789 -11.744 509 HA LYS 69 HA LYS 69 -2.543 20.550 -12.639 510 1HB LYS 69 1HB LYS 69 -1.558 19.165 -10.310 511 2HB LYS 69 2HB LYS 69 -0.259 20.101 -11.021 512 1HG LYS 69 1HG LYS 69 -1.784 22.113 -11.085 513 2HG LYS 69 2HG LYS 69 -3.031 21.165 -10.296 514 1HD LYS 69 1HD LYS 69 -0.266 21.437 -9.059 515 2HD LYS 69 2HD LYS 69 -1.484 22.674 -8.815 516 1HE LYS 69 1HE LYS 69 -2.219 21.402 -7.072 517 2HE LYS 69 2HE LYS 69 -2.915 20.343 -8.282 518 1HZ LYS 69 1HZ LYS 69 -0.221 20.088 -7.137 519 2HZ LYS 69 2HZ LYS 69 -1.500 19.129 -6.807 520 3HZ LYS 69 3HZ LYS 69 -0.835 19.117 -8.298 521 H THR 70 H THR 70 -1.128 17.534 -13.540 522 HA THR 70 HA THR 70 0.562 18.954 -15.457 523 HB THR 70 HB THR 70 1.435 17.023 -13.293 524 HG1 THR 70 1HG THR 70 3.298 18.643 -13.689 525 1HG2 THR 70 1HG2 THR 70 2.345 15.784 -15.109 526 2HG2 THR 70 2HG2 THR 70 2.518 17.234 -16.126 527 3HG2 THR 70 3HG2 THR 70 3.633 16.962 -14.765 528 HA PRO 71 HA PRO 71 -1.671 15.974 -17.757 529 1HB PRO 71 1HB PRO 71 -1.447 17.231 -20.173 530 2HB PRO 71 2HB PRO 71 -2.743 17.556 -19.040 531 1HG PRO 71 1HG PRO 71 -0.372 19.206 -19.665 532 2HG PRO 71 2HG PRO 71 -1.864 19.683 -18.881 533 1HD PRO 71 1HD PRO 71 0.661 19.192 -17.612 534 2HD PRO 71 2HD PRO 71 -0.859 19.556 -16.817 535 H ARG 72 H ARG 72 0.573 14.985 -16.902 536 HA ARG 72 HA ARG 72 1.736 14.078 -19.398 537 1HB ARG 72 1HB ARG 72 3.104 15.825 -17.797 538 2HB ARG 72 2HB ARG 72 3.577 14.319 -17.036 539 1HG ARG 72 1HG ARG 72 5.186 14.222 -18.653 540 2HG ARG 72 2HG ARG 72 3.895 13.674 -19.704 541 1HD ARG 72 1HD ARG 72 4.104 15.542 -20.977 542 2HD ARG 72 2HD ARG 72 3.751 16.553 -19.590 543 HE ARG 72 HE ARG 72 6.402 15.836 -19.196 544 1HH1 ARG 72 2HH2 ARG 72 4.634 17.321 -21.851 545 2HH1 ARG 72 1HH2 ARG 72 5.996 18.225 -22.421 546 1HH2 ARG 72 2HH1 ARG 72 8.201 17.028 -19.949 547 2HH2 ARG 72 1HH1 ARG 72 8.039 18.058 -21.332 548 H ALA 73 H ALA 73 1.556 13.624 -15.797 549 HA ALA 73 HA ALA 73 2.439 11.082 -15.555 550 1HB ALA 73 1HB ALA 73 0.108 11.316 -13.927 551 2HB ALA 73 2HB ALA 73 1.804 11.590 -13.463 552 3HB ALA 73 3HB ALA 73 0.818 12.941 -14.071 553 H VAL 74 H VAL 74 1.258 8.983 -15.330 554 HA VAL 74 HA VAL 74 -1.001 8.864 -17.206 555 HB VAL 74 HB VAL 74 1.049 8.052 -18.246 556 1HG1 VAL 74 1HG1 VAL 74 1.412 5.611 -16.729 557 2HG1 VAL 74 2HG1 VAL 74 2.600 6.861 -17.170 558 3HG1 VAL 74 3HG1 VAL 74 1.634 7.038 -15.686 559 1HG2 VAL 74 1HG2 VAL 74 0.164 6.070 -19.137 560 2HG2 VAL 74 2HG2 VAL 74 -0.613 5.613 -17.601 561 3HG2 VAL 74 3HG2 VAL 74 -1.268 6.959 -18.566 562 H ASN 75 H ASN 75 -2.051 9.267 -14.954 563 HA ASN 75 HA ASN 75 -1.923 7.490 -12.928 564 1HB ASN 75 1HB ASN 75 -4.427 8.130 -12.575 565 2HB ASN 75 2HB ASN 75 -3.268 9.443 -12.605 566 1HD2 ASN 75 1HD2 ASN 75 -6.155 9.291 -13.252 567 2HD2 ASN 75 2HD2 ASN 75 -6.340 9.946 -14.844 568 H ALA 76 H ALA 76 -1.775 5.265 -13.587 569 HA ALA 76 HA ALA 76 -3.689 4.190 -15.434 570 1HB ALA 76 1HB ALA 76 -1.442 3.033 -13.748 571 2HB ALA 76 2HB ALA 76 -2.479 2.035 -14.795 572 3HB ALA 76 3HB ALA 76 -1.463 3.313 -15.505 573 H CYS 77 H CYS 77 -3.753 5.068 -12.156 574 HA CYS 77 HA CYS 77 -5.444 2.860 -11.365 575 1HB CYS 77 1HB CYS 77 -3.632 4.114 -9.939 576 2HB CYS 77 2HB CYS 77 -4.920 5.270 -9.663 577 H GLY 78 H GLY 78 -5.525 6.360 -12.184 578 1HA GLY 78 1HA GLY 78 -7.225 7.704 -12.784 579 2HA GLY 78 2HA GLY 78 -8.214 6.277 -13.026 580 H ILE 79 H ILE 79 -6.645 7.831 -10.128 581 HA ILE 79 HA ILE 79 -9.291 8.212 -8.989 582 HB ILE 79 HB ILE 79 -9.060 6.875 -7.177 583 1HG1 ILE 79 1HG1 ILE 79 -6.877 7.937 -6.504 584 2HG1 ILE 79 2HG1 ILE 79 -7.065 6.250 -6.067 585 1HG2 ILE 79 1HG2 ILE 79 -9.177 5.419 -9.108 586 2HG2 ILE 79 2HG2 ILE 79 -7.404 5.434 -9.267 587 3HG2 ILE 79 3HG2 ILE 79 -8.165 4.675 -7.848 588 1HD1 ILE 79 1HD1 ILE 79 -5.425 5.538 -7.524 589 2HD1 ILE 79 2HD1 ILE 79 -5.829 6.768 -8.744 590 3HD1 ILE 79 3HD1 ILE 79 -4.856 7.213 -7.322 591 H ASN 80 H ASN 80 -9.220 9.684 -7.085 592 HA ASN 80 HA ASN 80 -7.614 11.853 -7.643 593 1HB ASN 80 1HB ASN 80 -9.813 11.327 -6.008 594 2HB ASN 80 2HB ASN 80 -8.558 11.627 -4.824 595 1HD2 ASN 80 1HD2 ASN 80 -9.015 13.585 -4.093 596 2HD2 ASN 80 2HD2 ASN 80 -9.138 15.032 -5.038 597 H CYS 81 H CYS 81 -5.442 12.185 -7.136 598 HA CYS 81 HA CYS 81 -3.862 10.341 -5.925 599 1HB CYS 81 1HB CYS 81 -3.622 13.182 -6.647 600 2HB CYS 81 2HB CYS 81 -2.549 12.683 -5.354 601 H SER 82 H SER 82 -5.537 13.217 -4.492 602 HA SER 82 HA SER 82 -4.513 13.117 -1.993 603 1HB SER 82 1HB SER 82 -6.984 14.125 -3.258 604 2HB SER 82 2HB SER 82 -7.200 13.750 -1.560 605 HG SER 82 HG SER 82 -6.410 15.772 -1.398 606 H ALA 83 H ALA 83 -6.667 10.845 -3.588 607 HA ALA 83 HA ALA 83 -7.904 9.734 -1.337 608 1HB ALA 83 1HB ALA 83 -7.152 8.315 -3.917 609 2HB ALA 83 2HB ALA 83 -8.519 7.961 -2.834 610 3HB ALA 83 3HB ALA 83 -8.508 9.460 -3.793 611 H LEU 84 H LEU 84 -4.611 9.804 -2.312 612 HA LEU 84 HA LEU 84 -4.051 7.344 -0.822 613 1HB LEU 84 1HB LEU 84 -2.226 8.915 -2.644 614 2HB LEU 84 2HB LEU 84 -1.895 7.360 -1.906 615 HG LEU 84 HG LEU 84 -4.076 7.880 -3.947 616 1HD1 LEU 84 1HD1 LEU 84 -2.463 6.347 -5.329 617 2HD1 LEU 84 2HD1 LEU 84 -2.174 8.101 -5.225 618 3HD1 LEU 84 3HD1 LEU 84 -1.228 6.982 -4.215 619 1HD2 LEU 84 1HD2 LEU 84 -3.168 5.123 -3.526 620 2HD2 LEU 84 2HD2 LEU 84 -3.956 5.846 -2.103 621 3HD2 LEU 84 3HD2 LEU 84 -4.813 5.789 -3.663 622 H LEU 85 H LEU 85 -4.799 10.225 0.120 623 HA LEU 85 HA LEU 85 -2.667 10.315 2.098 624 1HB LEU 85 1HB LEU 85 -2.648 12.050 -0.041 625 2HB LEU 85 2HB LEU 85 -3.485 12.974 1.191 626 HG LEU 85 HG LEU 85 -0.786 11.662 1.607 627 1HD1 LEU 85 1HD1 LEU 85 -0.045 13.238 0.189 628 2HD1 LEU 85 2HD1 LEU 85 -1.528 14.212 0.321 629 3HD1 LEU 85 3HD1 LEU 85 -0.270 14.332 1.575 630 1HD2 LEU 85 1HD2 LEU 85 -0.659 12.743 3.657 631 2HD2 LEU 85 2HD2 LEU 85 -1.933 13.913 3.239 632 3HD2 LEU 85 3HD2 LEU 85 -2.360 12.221 3.589 633 H GLN 86 H GLN 86 -5.686 9.584 1.643 634 HA GLN 86 HA GLN 86 -6.762 11.406 3.634 635 1HB GLN 86 1HB GLN 86 -8.206 9.385 1.862 636 2HB GLN 86 2HB GLN 86 -8.980 10.523 2.946 637 1HG GLN 86 1HG GLN 86 -7.247 12.123 1.390 638 2HG GLN 86 2HG GLN 86 -7.901 10.965 0.248 639 1HE2 GLN 86 1HE2 GLN 86 -8.327 13.896 0.776 640 2HE2 GLN 86 2HE2 GLN 86 -10.043 14.113 0.874 641 H ASP 87 H ASP 87 -8.796 9.774 4.726 642 HA ASP 87 HA ASP 87 -7.181 8.185 6.454 643 1HB ASP 87 1HB ASP 87 -8.957 9.494 7.454 644 2HB ASP 87 2HB ASP 87 -10.147 8.864 6.332 645 H ASP 88 H ASP 88 -10.385 7.559 4.819 646 HA ASP 88 HA ASP 88 -10.465 4.917 4.992 647 1HB ASP 88 1HB ASP 88 -11.226 6.708 2.648 648 2HB ASP 88 2HB ASP 88 -11.629 5.002 2.669 649 H ILE 89 H ILE 89 -9.250 3.182 4.183 650 HA ILE 89 HA ILE 89 -7.101 3.841 2.341 651 HB ILE 89 HB ILE 89 -6.253 1.615 2.943 652 1HG1 ILE 89 1HG1 ILE 89 -8.466 1.428 4.990 653 2HG1 ILE 89 2HG1 ILE 89 -8.614 0.701 3.402 654 1HG2 ILE 89 1HG2 ILE 89 -6.520 3.915 4.652 655 2HG2 ILE 89 2HG2 ILE 89 -6.455 2.431 5.633 656 3HG2 ILE 89 3HG2 ILE 89 -5.155 2.787 4.471 657 1HD1 ILE 89 1HD1 ILE 89 -6.320 -0.421 3.875 658 2HD1 ILE 89 2HD1 ILE 89 -6.577 0.069 5.567 659 3HD1 ILE 89 3HD1 ILE 89 -7.729 -1.034 4.775 660 H THR 90 H THR 90 -10.290 3.160 2.008 661 HA THR 90 HA THR 90 -10.609 0.974 0.438 662 HB THR 90 HB THR 90 -11.936 3.519 0.958 663 HG1 THR 90 1HG THR 90 -12.809 0.998 -0.261 664 1HG2 THR 90 1HG2 THR 90 -13.272 3.632 -1.118 665 2HG2 THR 90 2HG2 THR 90 -11.559 3.903 -1.519 666 3HG2 THR 90 3HG2 THR 90 -12.309 2.320 -1.838 667 H ALA 91 H ALA 91 -9.269 4.160 -0.586 668 HA ALA 91 HA ALA 91 -8.997 3.329 -3.291 669 1HB ALA 91 1HB ALA 91 -9.095 5.719 -2.069 670 2HB ALA 91 2HB ALA 91 -7.326 5.527 -2.130 671 3HB ALA 91 3HB ALA 91 -8.278 5.488 -3.634 672 H ALA 92 H ALA 92 -6.935 3.330 -0.354 673 HA ALA 92 HA ALA 92 -4.515 2.768 -1.606 674 1HB ALA 92 1HB ALA 92 -4.547 1.464 0.901 675 2HB ALA 92 2HB ALA 92 -3.964 3.108 0.546 676 3HB ALA 92 3HB ALA 92 -5.647 2.854 1.068 677 H ILE 93 H ILE 93 -7.179 0.629 -0.431 678 HA ILE 93 HA ILE 93 -5.775 -1.749 -1.103 679 HB ILE 93 HB ILE 93 -8.727 -1.346 -0.620 680 1HG1 ILE 93 1HG1 ILE 93 -6.509 -1.842 1.388 681 2HG1 ILE 93 2HG1 ILE 93 -7.415 -0.354 1.204 682 1HG2 ILE 93 1HG2 ILE 93 -7.623 -3.822 0.349 683 2HG2 ILE 93 2HG2 ILE 93 -8.934 -3.544 -0.824 684 3HG2 ILE 93 3HG2 ILE 93 -7.244 -3.620 -1.379 685 1HD1 ILE 93 1HD1 ILE 93 -9.479 -1.405 1.891 686 2HD1 ILE 93 2HD1 ILE 93 -8.761 -3.029 1.773 687 3HD1 ILE 93 3HD1 ILE 93 -8.234 -1.915 3.056 688 H GLN 94 H GLN 94 -8.446 0.166 -2.629 689 HA GLN 94 HA GLN 94 -8.827 -1.503 -4.766 690 1HB GLN 94 1HB GLN 94 -10.171 0.575 -3.995 691 2HB GLN 94 2HB GLN 94 -9.035 1.527 -4.929 692 1HG GLN 94 1HG GLN 94 -10.042 0.964 -6.888 693 2HG GLN 94 2HG GLN 94 -9.975 -0.745 -6.509 694 1HE2 GLN 94 1HE2 GLN 94 -12.063 1.067 -7.671 695 2HE2 GLN 94 2HE2 GLN 94 -13.507 0.777 -6.760 696 H CYS 95 H CYS 95 -6.606 1.344 -4.426 697 HA CYS 95 HA CYS 95 -5.591 1.123 -7.034 698 1HB CYS 95 1HB CYS 95 -5.490 3.033 -5.165 699 2HB CYS 95 2HB CYS 95 -3.923 2.304 -4.869 700 H ALA 96 H ALA 96 -4.609 -0.116 -3.786 701 HA ALA 96 HA ALA 96 -2.144 -1.131 -4.377 702 1HB ALA 96 1HB ALA 96 -4.376 -1.912 -2.509 703 2HB ALA 96 2HB ALA 96 -2.927 -2.940 -2.624 704 3HB ALA 96 3HB ALA 96 -2.773 -1.235 -2.136 705 H LYS 97 H LYS 97 -5.380 -2.703 -4.832 706 HA LYS 97 HA LYS 97 -4.238 -5.024 -5.999 707 1HB LYS 97 1HB LYS 97 -6.555 -5.643 -6.457 708 2HB LYS 97 2HB LYS 97 -6.364 -5.087 -4.807 709 1HG LYS 97 1HG LYS 97 -7.397 -2.974 -5.272 710 2HG LYS 97 2HG LYS 97 -7.204 -3.160 -7.004 711 1HD LYS 97 1HD LYS 97 -8.786 -5.328 -5.715 712 2HD LYS 97 2HD LYS 97 -9.520 -3.741 -5.601 713 1HE LYS 97 1HE LYS 97 -9.436 -3.452 -8.035 714 2HE LYS 97 2HE LYS 97 -8.489 -4.915 -8.225 715 1HZ LYS 97 1HZ LYS 97 -10.408 -5.953 -8.408 716 2HZ LYS 97 2HZ LYS 97 -10.703 -5.667 -6.826 717 3HZ LYS 97 3HZ LYS 97 -11.275 -4.642 -7.962 718 H ARG 98 H ARG 98 -5.644 -1.949 -7.224 719 HA ARG 98 HA ARG 98 -5.692 -2.728 -9.878 720 1HB ARG 98 1HB ARG 98 -6.848 -0.705 -8.877 721 2HB ARG 98 2HB ARG 98 -5.290 0.086 -8.745 722 1HG ARG 98 1HG ARG 98 -5.174 0.537 -10.997 723 2HG ARG 98 2HG ARG 98 -5.853 -1.013 -11.451 724 1HD ARG 98 1HD ARG 98 -8.046 0.181 -10.266 725 2HD ARG 98 2HD ARG 98 -7.234 1.581 -10.937 726 HE ARG 98 HE ARG 98 -7.666 0.788 -13.116 727 1HH1 ARG 98 2HH2 ARG 98 -8.419 -1.705 -10.750 728 2HH1 ARG 98 1HH2 ARG 98 -9.220 -2.729 -11.894 729 1HH2 ARG 98 2HH1 ARG 98 -8.723 -0.562 -14.627 730 2HH2 ARG 98 1HH1 ARG 98 -9.394 -2.075 -14.115 731 H VAL 99 H VAL 99 -3.082 -1.864 -7.723 732 HA VAL 99 HA VAL 99 -1.301 -1.121 -9.885 733 HB VAL 99 HB VAL 99 -1.049 -1.285 -6.883 734 1HG1 VAL 99 1HG1 VAL 99 1.141 -1.707 -7.265 735 2HG1 VAL 99 2HG1 VAL 99 1.063 -1.163 -8.958 736 3HG1 VAL 99 3HG1 VAL 99 1.204 0.030 -7.645 737 1HG2 VAL 99 1HG2 VAL 99 -2.224 0.645 -8.316 738 2HG2 VAL 99 2HG2 VAL 99 -1.274 0.988 -6.851 739 3HG2 VAL 99 3HG2 VAL 99 -0.539 1.199 -8.458 740 H VAL 100 H VAL 100 -1.419 -3.620 -7.244 741 HA VAL 100 HA VAL 100 0.678 -5.141 -8.232 742 HB VAL 100 HB VAL 100 -1.755 -5.958 -6.630 743 1HG1 VAL 100 1HG1 VAL 100 0.153 -7.621 -7.793 744 2HG1 VAL 100 2HG1 VAL 100 0.719 -7.421 -6.117 745 3HG1 VAL 100 3HG1 VAL 100 -0.925 -8.027 -6.435 746 1HG2 VAL 100 1HG2 VAL 100 -0.887 -4.716 -4.994 747 2HG2 VAL 100 2HG2 VAL 100 0.545 -5.770 -5.001 748 3HG2 VAL 100 3HG2 VAL 100 0.520 -4.297 -5.998 749 H ARG 101 H ARG 101 -2.700 -4.845 -9.244 750 HA ARG 101 HA ARG 101 -3.055 -7.231 -10.480 751 1HB ARG 101 1HB ARG 101 -4.171 -4.501 -10.689 752 2HB ARG 101 2HB ARG 101 -4.262 -5.364 -12.213 753 1HG ARG 101 1HG ARG 101 -5.059 -6.929 -9.785 754 2HG ARG 101 2HG ARG 101 -6.124 -5.607 -10.220 755 1HD ARG 101 1HD ARG 101 -6.794 -6.606 -12.208 756 2HD ARG 101 2HD ARG 101 -5.237 -7.360 -12.485 757 HE ARG 101 HE ARG 101 -6.001 -8.824 -10.389 758 1HH1 ARG 101 2HH2 ARG 101 -7.994 -7.692 -13.058 759 2HH1 ARG 101 1HH2 ARG 101 -9.100 -9.022 -12.964 760 1HH2 ARG 101 2HH1 ARG 101 -7.460 -10.578 -10.264 761 2HH2 ARG 101 1HH1 ARG 101 -8.794 -10.674 -11.365 762 H ASP 102 H ASP 102 -0.805 -4.690 -11.241 763 HA ASP 102 HA ASP 102 -0.647 -5.258 -14.013 764 1HB ASP 102 1HB ASP 102 0.397 -3.314 -12.157 765 2HB ASP 102 2HB ASP 102 1.764 -4.028 -12.988 766 HA PRO 103 HA PRO 103 2.597 -8.221 -13.818 767 1HB PRO 103 1HB PRO 103 4.533 -7.409 -15.568 768 2HB PRO 103 2HB PRO 103 3.039 -8.169 -16.078 769 1HG PRO 103 1HG PRO 103 3.820 -5.323 -16.244 770 2HG PRO 103 2HG PRO 103 2.550 -6.164 -17.108 771 1HD PRO 103 1HD PRO 103 2.225 -4.403 -14.868 772 2HD PRO 103 2HD PRO 103 0.969 -5.335 -15.659 773 H GLN 104 H GLN 104 3.022 -5.370 -12.388 774 HA GLN 104 HA GLN 104 5.771 -5.518 -11.831 775 1HB GLN 104 1HB GLN 104 3.560 -4.096 -10.283 776 2HB GLN 104 2HB GLN 104 5.276 -3.776 -10.137 777 1HG GLN 104 1HG GLN 104 4.208 -3.663 -12.924 778 2HG GLN 104 2HG GLN 104 3.592 -2.427 -11.847 779 1HE2 GLN 104 1HE2 GLN 104 4.659 -0.806 -12.950 780 2HE2 GLN 104 2HE2 GLN 104 6.366 -0.537 -12.829 781 H GLY 105 H GLY 105 2.866 -6.097 -9.707 782 1HA GLY 105 1HA GLY 105 2.521 -7.724 -8.163 783 2HA GLY 105 2HA GLY 105 4.047 -8.469 -8.594 784 H ILE 106 H ILE 106 3.177 -8.215 -5.893 785 HA ILE 106 HA ILE 106 3.861 -6.063 -4.451 786 HB ILE 106 HB ILE 106 4.146 -8.999 -3.976 787 1HG1 ILE 106 1HG1 ILE 106 1.929 -7.837 -3.970 788 2HG1 ILE 106 2HG1 ILE 106 2.315 -8.687 -2.488 789 1HG2 ILE 106 1HG2 ILE 106 4.630 -8.347 -1.534 790 2HG2 ILE 106 2HG2 ILE 106 5.979 -8.333 -2.695 791 3HG2 ILE 106 3HG2 ILE 106 5.208 -6.804 -2.206 792 1HD1 ILE 106 1HD1 ILE 106 1.521 -6.618 -1.692 793 2HD1 ILE 106 2HD1 ILE 106 3.283 -6.370 -1.686 794 3HD1 ILE 106 3HD1 ILE 106 2.295 -5.704 -3.008 795 H ARG 107 H ARG 107 6.033 -8.144 -6.314 796 HA ARG 107 HA ARG 107 8.397 -7.808 -5.188 797 1HB ARG 107 1HB ARG 107 7.681 -8.779 -7.546 798 2HB ARG 107 2HB ARG 107 8.116 -7.194 -8.153 799 1HG ARG 107 1HG ARG 107 10.402 -7.423 -7.450 800 2HG ARG 107 2HG ARG 107 10.032 -8.773 -6.397 801 1HD ARG 107 1HD ARG 107 9.521 -8.995 -9.383 802 2HD ARG 107 2HD ARG 107 11.136 -9.240 -8.749 803 HE ARG 107 HE ARG 107 8.829 -11.019 -8.396 804 1HH1 ARG 107 2HH2 ARG 107 11.990 -10.099 -7.151 805 2HH1 ARG 107 1HH2 ARG 107 12.261 -11.617 -6.361 806 1HH2 ARG 107 2HH1 ARG 107 9.187 -13.021 -7.353 807 2HH2 ARG 107 1HH1 ARG 107 10.656 -13.290 -6.476 808 H ALA 108 H ALA 108 6.491 -5.310 -6.915 809 HA ALA 108 HA ALA 108 8.300 -3.373 -7.410 810 1HB ALA 108 1HB ALA 108 6.416 -1.781 -6.954 811 2HB ALA 108 2HB ALA 108 5.935 -3.178 -7.947 812 3HB ALA 108 3HB ALA 108 5.509 -3.125 -6.220 813 H TRP 109 H TRP 109 7.056 -4.445 -4.234 814 HA TRP 109 HA TRP 109 8.649 -2.355 -2.947 815 1HB TRP 109 1HB TRP 109 6.550 -4.213 -1.816 816 2HB TRP 109 2HB TRP 109 7.427 -2.997 -0.909 817 HD1 TRP 109 HD TRP 109 6.770 -0.375 -1.451 818 HE1 TRP 109 1HE TRP 109 4.624 0.800 -2.437 819 HE3 TRP 109 3HE TRP 109 4.759 -4.581 -3.480 820 HZ2 TRP 109 2HZ TRP 109 2.376 -0.140 -3.922 821 HZ3 TRP 109 3HZ TRP 109 2.586 -4.365 -4.682 822 HH2 TRP 109 HH TRP 109 1.400 -2.241 -4.919 823 H VAL 110 H VAL 110 10.492 -3.801 -3.998 824 HA VAL 110 HA VAL 110 11.127 -6.302 -3.309 825 HB VAL 110 HB VAL 110 12.426 -4.697 -4.702 826 1HG1 VAL 110 1HG1 VAL 110 14.235 -3.398 -3.499 827 2HG1 VAL 110 2HG1 VAL 110 12.582 -2.770 -3.304 828 3HG1 VAL 110 3HG1 VAL 110 13.342 -3.701 -1.990 829 1HG2 VAL 110 1HG2 VAL 110 14.258 -6.002 -2.687 830 2HG2 VAL 110 2HG2 VAL 110 13.254 -6.966 -3.796 831 3HG2 VAL 110 3HG2 VAL 110 14.463 -5.833 -4.447 832 H ALA 111 H ALA 111 11.007 -3.478 -1.157 833 HA ALA 111 HA ALA 111 12.529 -4.239 0.943 834 1HB ALA 111 1HB ALA 111 11.016 -2.176 0.580 835 2HB ALA 111 2HB ALA 111 9.719 -3.160 1.297 836 3HB ALA 111 3HB ALA 111 11.181 -2.790 2.242 837 H TRP 112 H TRP 112 9.119 -5.286 0.267 838 HA TRP 112 HA TRP 112 8.875 -6.932 2.494 839 1HB TRP 112 1HB TRP 112 6.836 -6.724 1.635 840 2HB TRP 112 2HB TRP 112 7.435 -6.410 0.017 841 HD1 TRP 112 HD TRP 112 5.878 -9.160 2.083 842 HE1 TRP 112 1HE TRP 112 5.552 -11.389 0.708 843 HE3 TRP 112 3HE TRP 112 8.697 -7.735 -1.903 844 HZ2 TRP 112 2HZ TRP 112 6.487 -12.286 -1.835 845 HZ3 TRP 112 3HZ TRP 112 8.940 -9.346 -3.789 846 HH2 TRP 112 HH TRP 112 7.890 -11.554 -3.798 847 H ARG 113 H ARG 113 10.297 -7.410 -0.770 848 HA ARG 113 HA ARG 113 10.562 -10.160 -0.565 849 1HB ARG 113 1HB ARG 113 10.830 -8.591 -2.634 850 2HB ARG 113 2HB ARG 113 12.475 -8.336 -2.088 851 1HG ARG 113 1HG ARG 113 11.574 -11.191 -2.245 852 2HG ARG 113 2HG ARG 113 11.745 -10.357 -3.777 853 1HD ARG 113 1HD ARG 113 14.032 -10.309 -3.635 854 2HD ARG 113 2HD ARG 113 14.014 -9.841 -1.947 855 HE ARG 113 HE ARG 113 13.166 -12.506 -1.941 856 1HH1 ARG 113 2HH2 ARG 113 16.013 -10.777 -3.075 857 2HH1 ARG 113 1HH2 ARG 113 17.080 -12.124 -2.848 858 1HH2 ARG 113 2HH1 ARG 113 14.571 -14.284 -1.643 859 2HH2 ARG 113 1HH1 ARG 113 16.253 -14.131 -2.028 860 H ALA 114 H ALA 114 12.131 -7.589 1.106 861 HA ALA 114 HA ALA 114 14.297 -9.414 1.893 862 1HB ALA 114 1HB ALA 114 15.699 -7.869 1.035 863 2HB ALA 114 2HB ALA 114 14.379 -6.699 0.796 864 3HB ALA 114 3HB ALA 114 15.195 -6.811 2.374 865 H HIS 115 H HIS 115 11.548 -9.094 2.981 866 HA HIS 115 HA HIS 115 12.367 -8.564 5.690 867 1HB HIS 115 1HB HIS 115 11.191 -6.492 4.280 868 2HB HIS 115 2HB HIS 115 9.827 -7.215 5.108 869 HD1 HIS 115 1HD HIS 115 9.479 -6.518 7.494 870 HD2 HIS 115 2HD HIS 115 13.393 -5.788 6.176 871 HE1 HIS 115 1HE HIS 115 10.644 -5.258 9.381 872 HE2 HIS 115 2HE HIS 115 13.061 -4.885 8.535 873 H CYS 116 H CYS 116 9.692 -9.356 3.385 874 HA CYS 116 HA CYS 116 8.468 -11.015 5.407 875 1HB CYS 116 1HB CYS 116 7.586 -9.632 3.062 876 2HB CYS 116 2HB CYS 116 7.217 -11.334 2.870 877 H GLN 117 H GLN 117 9.858 -11.301 2.055 878 HA GLN 117 HA GLN 117 9.779 -14.114 2.136 879 1HB GLN 117 1HB GLN 117 10.461 -12.020 0.234 880 2HB GLN 117 2HB GLN 117 11.681 -13.278 0.189 881 1HG GLN 117 1HG GLN 117 8.878 -14.286 0.308 882 2HG GLN 117 2HG GLN 117 9.263 -13.388 -1.147 883 1HE2 GLN 117 1HE2 GLN 117 8.653 -15.910 -1.509 884 2HE2 GLN 117 2HE2 GLN 117 10.026 -16.903 -1.865 885 H ASN 118 H ASN 118 10.908 -13.771 4.486 886 HA ASN 118 HA ASN 118 13.638 -14.570 4.005 887 1HB ASN 118 1HB ASN 118 13.427 -12.016 4.636 888 2HB ASN 118 2HB ASN 118 13.025 -12.592 6.241 889 1HD2 ASN 118 1HD2 ASN 118 15.415 -11.295 4.679 890 2HD2 ASN 118 2HD2 ASN 118 16.808 -12.103 5.320 891 H ARG 119 H ARG 119 11.439 -13.610 6.762 892 HA ARG 119 HA ARG 119 11.777 -16.324 7.760 893 1HB ARG 119 1HB ARG 119 12.752 -14.083 9.017 894 2HB ARG 119 2HB ARG 119 11.149 -14.144 9.722 895 1HG ARG 119 1HG ARG 119 11.559 -16.127 10.855 896 2HG ARG 119 2HG ARG 119 12.623 -16.750 9.611 897 1HD ARG 119 1HD ARG 119 14.482 -15.427 10.376 898 2HD ARG 119 2HD ARG 119 13.454 -14.387 11.342 899 HE ARG 119 HE ARG 119 13.227 -17.149 12.200 900 1HH1 ARG 119 2HH2 ARG 119 15.305 -14.317 12.403 901 2HH1 ARG 119 1HH2 ARG 119 16.017 -14.789 13.910 902 1HH2 ARG 119 2HH1 ARG 119 14.165 -17.772 14.188 903 2HH2 ARG 119 1HH1 ARG 119 15.364 -16.768 14.932 904 H ASP 120 H ASP 120 9.908 -16.289 9.851 905 HA ASP 120 HA ASP 120 7.490 -16.183 8.322 906 1HB ASP 120 1HB ASP 120 8.073 -18.102 9.850 907 2HB ASP 120 2HB ASP 120 7.989 -17.014 11.221 908 H LEU 121 H LEU 121 6.721 -14.031 8.179 909 HA LEU 121 HA LEU 121 6.782 -12.417 10.608 910 1HB LEU 121 1HB LEU 121 7.631 -11.673 8.292 911 2HB LEU 121 2HB LEU 121 5.938 -11.510 7.868 912 HG LEU 121 HG LEU 121 6.721 -10.171 10.388 913 1HD1 LEU 121 1HD1 LEU 121 7.728 -9.104 7.735 914 2HD1 LEU 121 2HD1 LEU 121 7.825 -8.293 9.317 915 3HD1 LEU 121 3HD1 LEU 121 8.739 -9.792 9.028 916 1HD2 LEU 121 1HD2 LEU 121 5.478 -8.387 8.626 917 2HD2 LEU 121 2HD2 LEU 121 4.716 -9.964 8.310 918 3HD2 LEU 121 3HD2 LEU 121 4.727 -9.293 9.959 919 H SER 122 H SER 122 4.938 -14.834 9.828 920 HA SER 122 HA SER 122 2.399 -13.638 9.545 921 1HB SER 122 1HB SER 122 3.356 -16.443 10.219 922 2HB SER 122 2HB SER 122 1.649 -16.045 10.209 923 HG SER 122 HG SER 122 1.673 -16.230 8.085 924 H GLN 123 H GLN 123 4.576 -14.291 12.202 925 HA GLN 123 HA GLN 123 2.631 -14.571 14.201 926 1HB GLN 123 1HB GLN 123 5.006 -15.322 14.415 927 2HB GLN 123 2HB GLN 123 5.530 -13.649 14.421 928 1HG GLN 123 1HG GLN 123 4.804 -13.278 16.583 929 2HG GLN 123 2HG GLN 123 3.394 -14.302 16.403 930 1HE2 GLN 123 1HE2 GLN 123 3.863 -16.675 16.134 931 2HE2 GLN 123 2HE2 GLN 123 5.073 -17.379 17.154 932 H TYR 124 H TYR 124 3.539 -11.920 12.260 933 HA TYR 124 HA TYR 124 3.244 -9.878 14.252 934 1HB TYR 124 1HB TYR 124 4.313 -10.209 11.674 935 2HB TYR 124 2HB TYR 124 2.822 -9.358 11.317 936 HD1 TYR 124 1HD TYR 124 2.724 -7.021 11.504 937 HD2 TYR 124 2HD TYR 124 5.883 -9.143 13.458 938 HE1 TYR 124 1HE TYR 124 3.848 -4.818 12.095 939 HE2 TYR 124 2HE TYR 124 6.997 -6.933 14.041 940 HH TYR 124 HH TYR 124 6.894 -4.784 13.930 941 H ILE 125 H ILE 125 1.198 -11.460 11.755 942 HA ILE 125 HA ILE 125 -0.976 -9.641 12.362 943 HB ILE 125 HB ILE 125 -2.144 -10.896 10.580 944 1HG1 ILE 125 1HG1 ILE 125 0.262 -12.223 9.566 945 2HG1 ILE 125 2HG1 ILE 125 -0.283 -12.890 11.092 946 1HG2 ILE 125 1HG2 ILE 125 -0.692 -10.076 8.722 947 2HG2 ILE 125 2HG2 ILE 125 -0.993 -8.875 10.001 948 3HG2 ILE 125 3HG2 ILE 125 0.570 -9.723 9.927 949 1HD1 ILE 125 1HD1 ILE 125 -1.659 -12.858 8.428 950 2HD1 ILE 125 2HD1 ILE 125 -1.633 -14.124 9.679 951 3HD1 ILE 125 3HD1 ILE 125 -2.690 -12.705 9.870 952 H ARG 126 H ARG 126 0.168 -12.931 13.055 953 HA ARG 126 HA ARG 126 -2.332 -13.774 14.058 954 1HB ARG 126 1HB ARG 126 -0.601 -15.354 13.174 955 2HB ARG 126 2HB ARG 126 0.475 -14.916 14.485 956 1HG ARG 126 1HG ARG 126 -0.495 -16.840 15.378 957 2HG ARG 126 2HG ARG 126 -1.572 -15.622 16.031 958 1HD ARG 126 1HD ARG 126 -3.007 -15.991 13.880 959 2HD ARG 126 2HD ARG 126 -2.046 -17.434 13.630 960 HE ARG 126 HE ARG 126 -3.145 -17.245 16.339 961 1HH1 ARG 126 2HH2 ARG 126 -3.776 -18.305 13.044 962 2HH1 ARG 126 1HH2 ARG 126 -4.976 -19.464 13.511 963 1HH2 ARG 126 2HH1 ARG 126 -4.727 -18.773 16.955 964 2HH2 ARG 126 1HH1 ARG 126 -5.520 -19.733 15.751 965 H ASN 127 H ASN 127 -3.071 -12.430 15.749 966 HA ASN 127 HA ASN 127 -2.209 -12.922 18.270 967 1HB ASN 127 1HB ASN 127 -0.121 -11.688 17.711 968 2HB ASN 127 2HB ASN 127 -1.053 -10.308 17.166 969 1HD2 ASN 127 1HD2 ASN 127 -0.056 -8.958 18.643 970 2HD2 ASN 127 2HD2 ASN 127 -0.430 -8.961 20.334 971 H CYS 128 H CYS 128 -3.584 -10.739 15.828 972 HA CYS 128 HA CYS 128 -5.100 -9.175 17.638 973 1HB CYS 128 1HB CYS 128 -4.387 -8.956 15.003 974 2HB CYS 128 2HB CYS 128 -6.076 -9.405 14.869 975 H GLY 129 H GLY 129 -5.364 -12.343 16.132 976 1HA GLY 129 1HA GLY 129 -6.898 -13.888 17.155 977 2HA GLY 129 2HA GLY 129 -8.092 -12.608 17.240 978 H VAL 130 H VAL 130 -5.917 -13.176 14.436 979 HA VAL 130 HA VAL 130 -8.279 -13.501 12.782 980 HB VAL 130 HB VAL 130 -5.359 -12.970 12.277 981 1HG1 VAL 130 1HG1 VAL 130 -5.715 -13.059 9.905 982 2HG1 VAL 130 2HG1 VAL 130 -6.249 -14.611 10.594 983 3HG1 VAL 130 3HG1 VAL 130 -7.452 -13.387 10.120 984 1HG2 VAL 130 1HG2 VAL 130 -7.780 -11.379 12.484 985 2HG2 VAL 130 2HG2 VAL 130 -6.079 -10.859 12.404 986 3HG2 VAL 130 3HG2 VAL 130 -6.993 -11.150 10.904 Start of MODEL 6 1 H LYS 1 H LYS 1 -4.269 5.489 6.449 2 HA LYS 1 HA LYS 1 -4.471 8.300 6.838 3 1HB LYS 1 1HB LYS 1 -6.859 7.807 6.630 4 2HB LYS 1 2HB LYS 1 -6.739 6.568 7.863 5 1HG LYS 1 1HG LYS 1 -5.566 8.848 9.054 6 2HG LYS 1 2HG LYS 1 -6.940 9.483 8.171 7 1HD LYS 1 1HD LYS 1 -8.457 7.890 9.290 8 2HD LYS 1 2HD LYS 1 -7.104 7.112 10.089 9 1HE LYS 1 1HE LYS 1 -6.574 9.447 11.110 10 2HE LYS 1 2HE LYS 1 -8.163 9.930 10.550 11 1HZ LYS 1 1HZ LYS 1 -7.568 8.546 12.835 12 2HZ LYS 1 2HZ LYS 1 -9.056 8.877 12.247 13 3HZ LYS 1 3HZ LYS 1 -8.324 7.466 11.872 14 H VAL 2 H VAL 2 -5.536 5.825 9.192 15 HA VAL 2 HA VAL 2 -2.844 5.675 10.274 16 HB VAL 2 HB VAL 2 -5.225 6.751 11.797 17 1HG1 VAL 2 1HG1 VAL 2 -3.635 5.081 12.996 18 2HG1 VAL 2 2HG1 VAL 2 -2.459 6.416 12.949 19 3HG1 VAL 2 3HG1 VAL 2 -4.013 6.629 13.788 20 1HG2 VAL 2 1HG2 VAL 2 -4.314 8.549 10.591 21 2HG2 VAL 2 2HG2 VAL 2 -3.544 8.666 12.191 22 3HG2 VAL 2 3HG2 VAL 2 -2.643 7.979 10.819 23 H TYR 3 H TYR 3 -2.508 3.517 10.361 24 HA TYR 3 HA TYR 3 -4.307 1.889 11.866 25 1HB TYR 3 1HB TYR 3 -3.861 1.523 8.838 26 2HB TYR 3 2HB TYR 3 -4.682 0.350 9.847 27 HD1 TYR 3 1HD TYR 3 -5.188 2.958 7.592 28 HD2 TYR 3 2HD TYR 3 -6.713 1.432 11.286 29 HE1 TYR 3 1HE TYR 3 -7.400 4.138 7.174 30 HE2 TYR 3 2HE TYR 3 -8.921 2.617 10.856 31 HH TYR 3 HH TYR 3 -9.451 4.916 9.276 32 H GLU 4 H GLU 4 -3.270 0.048 12.654 33 HA GLU 4 HA GLU 4 -0.505 -0.184 11.771 34 1HB GLU 4 1HB GLU 4 -0.011 -1.100 13.983 35 2HB GLU 4 2HB GLU 4 -0.853 0.425 14.163 36 1HG GLU 4 1HG GLU 4 -3.025 -1.138 14.200 37 2HG GLU 4 2HG GLU 4 -1.874 -2.376 14.662 38 H ARG 5 H ARG 5 0.328 -2.621 12.367 39 HA ARG 5 HA ARG 5 -0.465 -4.254 10.497 40 1HB ARG 5 1HB ARG 5 -0.056 -6.117 12.504 41 2HB ARG 5 2HB ARG 5 1.229 -5.307 11.629 42 1HG ARG 5 1HG ARG 5 1.644 -3.773 13.367 43 2HG ARG 5 2HG ARG 5 0.022 -3.906 14.019 44 1HD ARG 5 1HD ARG 5 0.496 -6.145 14.913 45 2HD ARG 5 2HD ARG 5 2.052 -6.188 14.109 46 HE ARG 5 HE ARG 5 1.792 -3.877 15.870 47 1HH1 ARG 5 2HH2 ARG 5 2.565 -7.308 15.774 48 2HH1 ARG 5 1HH2 ARG 5 3.523 -7.264 17.216 49 1HH2 ARG 5 2HH1 ARG 5 3.057 -3.817 17.772 50 2HH2 ARG 5 1HH1 ARG 5 3.805 -5.265 18.360 51 H CYS 6 H CYS 6 -1.782 -4.561 13.887 52 HA CYS 6 HA CYS 6 -3.693 -6.418 13.383 53 1HB CYS 6 1HB CYS 6 -3.834 -4.082 15.301 54 2HB CYS 6 2HB CYS 6 -4.911 -5.464 15.330 55 H GLU 7 H GLU 7 -4.660 -2.973 13.951 56 HA GLU 7 HA GLU 7 -7.040 -2.956 12.883 57 1HB GLU 7 1HB GLU 7 -4.876 -0.952 13.077 58 2HB GLU 7 2HB GLU 7 -6.045 -0.573 11.829 59 1HG GLU 7 1HG GLU 7 -7.280 0.320 13.531 60 2HG GLU 7 2HG GLU 7 -7.725 -1.340 13.876 61 H PHE 8 H PHE 8 -4.154 -2.114 10.819 62 HA PHE 8 HA PHE 8 -5.344 -2.006 8.415 63 1HB PHE 8 1HB PHE 8 -2.830 -1.860 9.274 64 2HB PHE 8 2HB PHE 8 -2.764 -3.577 8.928 65 HD1 PHE 8 1HD PHE 8 -3.940 -0.472 7.200 66 HD2 PHE 8 2HD PHE 8 -1.838 -4.148 6.906 67 HE1 PHE 8 1HE PHE 8 -3.394 0.031 4.803 68 HE2 PHE 8 2HE PHE 8 -1.293 -3.645 4.509 69 HZ PHE 8 HZ PHE 8 -2.077 -1.561 3.486 70 H ALA 9 H ALA 9 -4.190 -5.020 10.069 71 HA ALA 9 HA ALA 9 -4.825 -6.765 7.998 72 1HB ALA 9 1HB ALA 9 -4.774 -7.194 11.013 73 2HB ALA 9 2HB ALA 9 -4.739 -8.483 9.787 74 3HB ALA 9 3HB ALA 9 -3.386 -7.332 9.907 75 H ARG 10 H ARG 10 -6.730 -5.885 10.970 76 HA ARG 10 HA ARG 10 -8.904 -7.377 10.484 77 1HB ARG 10 1HB ARG 10 -8.391 -5.768 12.452 78 2HB ARG 10 2HB ARG 10 -9.082 -4.492 11.470 79 1HG ARG 10 1HG ARG 10 -11.191 -5.933 11.249 80 2HG ARG 10 2HG ARG 10 -10.494 -7.021 12.431 81 1HD ARG 10 1HD ARG 10 -11.054 -5.644 14.159 82 2HD ARG 10 2HD ARG 10 -10.328 -4.254 13.377 83 HE ARG 10 HE ARG 10 -12.860 -5.005 12.142 84 1HH1 ARG 10 2HH2 ARG 10 -11.417 -3.239 14.822 85 2HH1 ARG 10 1HH2 ARG 10 -12.774 -2.183 15.024 86 1HH2 ARG 10 2HH1 ARG 10 -14.651 -3.611 12.408 87 2HH2 ARG 10 1HH1 ARG 10 -14.626 -2.395 13.641 88 H THR 11 H THR 11 -8.461 -3.905 9.458 89 HA THR 11 HA THR 11 -10.791 -3.661 8.001 90 HB THR 11 HB THR 11 -8.017 -2.398 7.763 91 HG1 THR 11 1HG THR 11 -9.454 -2.119 9.690 92 1HG2 THR 11 1HG2 THR 11 -9.852 -2.256 5.715 93 2HG2 THR 11 2HG2 THR 11 -10.449 -0.960 6.778 94 3HG2 THR 11 3HG2 THR 11 -8.780 -0.908 6.163 95 H LEU 12 H LEU 12 -7.525 -4.679 6.799 96 HA LEU 12 HA LEU 12 -8.157 -5.015 4.179 97 1HB LEU 12 1HB LEU 12 -6.104 -5.829 5.991 98 2HB LEU 12 2HB LEU 12 -6.506 -7.192 4.967 99 HG LEU 12 HG LEU 12 -6.195 -5.670 2.968 100 1HD1 LEU 12 1HD1 LEU 12 -5.323 -3.550 3.126 101 2HD1 LEU 12 2HD1 LEU 12 -6.379 -3.590 4.560 102 3HD1 LEU 12 3HD1 LEU 12 -4.625 -3.833 4.740 103 1HD2 LEU 12 1HD2 LEU 12 -3.524 -5.540 3.857 104 2HD2 LEU 12 2HD2 LEU 12 -4.249 -6.958 4.652 105 3HD2 LEU 12 3HD2 LEU 12 -4.296 -6.811 2.878 106 H LYS 13 H LYS 13 -8.543 -7.468 6.829 107 HA LYS 13 HA LYS 13 -9.753 -9.367 5.150 108 1HB LYS 13 1HB LYS 13 -8.611 -9.781 7.357 109 2HB LYS 13 2HB LYS 13 -10.015 -9.105 8.157 110 1HG LYS 13 1HG LYS 13 -10.276 -11.526 8.087 111 2HG LYS 13 2HG LYS 13 -11.464 -10.818 7.011 112 1HD LYS 13 1HD LYS 13 -10.333 -11.515 5.066 113 2HD LYS 13 2HD LYS 13 -8.775 -11.584 5.865 114 1HE LYS 13 1HE LYS 13 -10.675 -13.448 7.106 115 2HE LYS 13 2HE LYS 13 -10.530 -13.752 5.386 116 1HZ LYS 13 1HZ LYS 13 -7.986 -13.308 6.290 117 2HZ LYS 13 2HZ LYS 13 -8.671 -14.273 7.416 118 3HZ LYS 13 3HZ LYS 13 -8.636 -14.741 5.851 119 H ARG 14 H ARG 14 -10.930 -6.508 6.879 120 HA ARG 14 HA ARG 14 -13.632 -7.294 6.751 121 1HB ARG 14 1HB ARG 14 -12.635 -5.605 8.381 122 2HB ARG 14 2HB ARG 14 -12.474 -4.478 7.050 123 1HG ARG 14 1HG ARG 14 -14.584 -3.794 7.556 124 2HG ARG 14 2HG ARG 14 -15.131 -5.282 6.809 125 1HD ARG 14 1HD ARG 14 -14.230 -5.572 9.642 126 2HD ARG 14 2HD ARG 14 -15.653 -4.571 9.426 127 HE ARG 14 HE ARG 14 -16.869 -6.454 8.661 128 1HH1 ARG 14 2HH2 ARG 14 -13.460 -7.245 9.032 129 2HH1 ARG 14 1HH2 ARG 14 -13.710 -8.953 8.883 130 1HH2 ARG 14 2HH1 ARG 14 -17.198 -8.707 8.464 131 2HH2 ARG 14 1HH1 ARG 14 -15.849 -9.790 8.558 132 H ASN 15 H ASN 15 -11.320 -5.784 4.567 133 HA ASN 15 HA ASN 15 -13.389 -4.665 2.926 134 1HB ASN 15 1HB ASN 15 -10.767 -3.956 3.371 135 2HB ASN 15 2HB ASN 15 -10.573 -4.894 1.904 136 1HD2 ASN 15 1HD2 ASN 15 -11.455 -4.215 -0.015 137 2HD2 ASN 15 2HD2 ASN 15 -12.086 -2.623 -0.276 138 H GLY 16 H GLY 16 -10.961 -7.340 2.970 139 1HA GLY 16 1HA GLY 16 -11.644 -9.452 2.016 140 2HA GLY 16 2HA GLY 16 -12.373 -8.576 0.685 141 H MET 17 H MET 17 -9.208 -7.807 2.221 142 HA MET 17 HA MET 17 -7.983 -8.538 -0.326 143 1HB MET 17 1HB MET 17 -7.986 -6.071 1.196 144 2HB MET 17 2HB MET 17 -6.352 -6.703 1.231 145 1HG MET 17 1HG MET 17 -7.724 -6.777 -1.435 146 2HG MET 17 2HG MET 17 -7.328 -5.184 -0.822 147 1HE MET 17 1HE MET 17 -4.648 -5.141 -3.053 148 2HE MET 17 2HE MET 17 -5.986 -4.383 -2.157 149 3HE MET 17 3HE MET 17 -4.336 -4.351 -1.489 150 H ALA 18 H ALA 18 -7.856 -8.675 3.227 151 HA ALA 18 HA ALA 18 -5.259 -9.651 3.509 152 1HB ALA 18 1HB ALA 18 -7.751 -9.464 5.102 153 2HB ALA 18 2HB ALA 18 -6.651 -10.777 5.585 154 3HB ALA 18 3HB ALA 18 -6.071 -9.094 5.557 155 H GLY 19 H GLY 19 -4.465 -11.376 2.398 156 1HA GLY 19 1HA GLY 19 -4.218 -13.651 2.114 157 2HA GLY 19 2HA GLY 19 -5.854 -13.922 2.682 158 H TYR 20 H TYR 20 -5.071 -11.442 0.230 159 HA TYR 20 HA TYR 20 -7.017 -12.147 -1.537 160 1HB TYR 20 1HB TYR 20 -5.106 -10.227 -1.307 161 2HB TYR 20 2HB TYR 20 -4.241 -11.249 -2.437 162 HD1 TYR 20 1HD TYR 20 -7.839 -10.189 -2.174 163 HD2 TYR 20 2HD TYR 20 -4.293 -10.331 -4.563 164 HE1 TYR 20 1HE TYR 20 -9.092 -9.118 -4.109 165 HE2 TYR 20 2HE TYR 20 -5.558 -9.259 -6.491 166 HH TYR 20 HH TYR 20 -8.936 -9.016 -6.515 167 H TYR 21 H TYR 21 -6.383 -12.769 -3.997 168 HA TYR 21 HA TYR 21 -6.207 -15.395 -4.244 169 1HB TYR 21 1HB TYR 21 -5.442 -12.966 -5.792 170 2HB TYR 21 2HB TYR 21 -4.532 -14.369 -6.315 171 HD1 TYR 21 1HD TYR 21 -6.077 -16.574 -6.638 172 HD2 TYR 21 2HD TYR 21 -7.431 -12.523 -6.896 173 HE1 TYR 21 1HE TYR 21 -8.051 -17.316 -8.059 174 HE2 TYR 21 2HE TYR 21 -9.399 -13.279 -8.315 175 HH TYR 21 HH TYR 21 -10.188 -14.959 -9.547 176 H GLY 22 H GLY 22 -3.256 -13.267 -4.357 177 1HA GLY 22 1HA GLY 22 -1.667 -15.659 -3.643 178 2HA GLY 22 2HA GLY 22 -1.097 -14.334 -4.641 179 H VAL 23 H VAL 23 -1.463 -12.025 -3.476 180 HA VAL 23 HA VAL 23 0.312 -11.868 -1.418 181 HB VAL 23 HB VAL 23 -2.049 -10.024 -1.801 182 1HG1 VAL 23 1HG1 VAL 23 0.726 -9.727 -0.649 183 2HG1 VAL 23 2HG1 VAL 23 -0.180 -8.321 -1.257 184 3HG1 VAL 23 3HG1 VAL 23 -0.843 -9.301 0.074 185 1HG2 VAL 23 1HG2 VAL 23 -1.401 -9.712 -3.917 186 2HG2 VAL 23 2HG2 VAL 23 0.113 -9.024 -3.282 187 3HG2 VAL 23 3HG2 VAL 23 0.026 -10.752 -3.697 188 H SER 24 H SER 24 0.321 -12.569 0.649 189 HA SER 24 HA SER 24 -2.197 -13.415 1.751 190 1HB SER 24 1HB SER 24 0.444 -14.365 1.901 191 2HB SER 24 2HB SER 24 0.163 -13.683 3.490 192 HG SER 24 HG SER 24 -1.858 -14.975 3.553 193 H LEU 25 H LEU 25 -2.963 -12.696 3.878 194 HA LEU 25 HA LEU 25 -2.949 -9.991 4.248 195 1HB LEU 25 1HB LEU 25 -4.658 -10.981 5.334 196 2HB LEU 25 2HB LEU 25 -3.705 -12.367 5.832 197 HG LEU 25 HG LEU 25 -2.630 -10.968 7.588 198 1HD1 LEU 25 1HD1 LEU 25 -4.727 -8.874 7.004 199 2HD1 LEU 25 2HD1 LEU 25 -3.332 -8.781 8.108 200 3HD1 LEU 25 3HD1 LEU 25 -3.076 -8.790 6.347 201 1HD2 LEU 25 1HD2 LEU 25 -4.415 -11.112 9.132 202 2HD2 LEU 25 2HD2 LEU 25 -5.640 -10.905 7.857 203 3HD2 LEU 25 3HD2 LEU 25 -4.686 -12.406 7.941 204 H ALA 26 H ALA 26 -0.775 -12.480 5.693 205 HA ALA 26 HA ALA 26 0.561 -10.745 7.422 206 1HB ALA 26 1HB ALA 26 2.004 -12.551 7.764 207 2HB ALA 26 2HB ALA 26 0.534 -13.362 7.176 208 3HB ALA 26 3HB ALA 26 1.901 -13.087 6.070 209 H ASP 27 H ASP 27 1.052 -11.593 3.958 210 HA ASP 27 HA ASP 27 3.489 -10.303 3.705 211 1HB ASP 27 1HB ASP 27 1.280 -10.748 1.642 212 2HB ASP 27 2HB ASP 27 2.921 -10.279 1.245 213 H TRP 28 H TRP 28 0.052 -9.260 3.399 214 HA TRP 28 HA TRP 28 0.524 -6.748 2.265 215 1HB TRP 28 1HB TRP 28 -1.722 -7.980 3.824 216 2HB TRP 28 2HB TRP 28 -1.751 -6.270 3.442 217 HD1 TRP 28 HD TRP 28 -3.134 -9.282 2.067 218 HE1 TRP 28 1HE TRP 28 -3.644 -9.212 -0.520 219 HE3 TRP 28 3HE TRP 28 -0.264 -5.203 1.080 220 HZ2 TRP 28 2HZ TRP 28 -2.810 -7.497 -2.643 221 HZ3 TRP 28 3HZ TRP 28 -0.166 -4.395 -1.277 222 HH2 TRP 28 HH TRP 28 -1.379 -5.471 -3.105 223 H VAL 29 H VAL 29 -0.156 -7.709 5.714 224 HA VAL 29 HA VAL 29 0.287 -5.250 6.846 225 HB VAL 29 HB VAL 29 0.709 -8.062 7.853 226 1HG1 VAL 29 1HG1 VAL 29 0.677 -7.062 10.150 227 2HG1 VAL 29 2HG1 VAL 29 2.141 -6.682 9.211 228 3HG1 VAL 29 3HG1 VAL 29 0.862 -5.458 9.402 229 1HG2 VAL 29 1HG2 VAL 29 -1.564 -6.191 7.649 230 2HG2 VAL 29 2HG2 VAL 29 -1.541 -7.967 7.757 231 3HG2 VAL 29 3HG2 VAL 29 -1.393 -6.984 9.233 232 H CYS 30 H CYS 30 2.692 -7.977 6.648 233 HA CYS 30 HA CYS 30 4.849 -6.693 7.600 234 1HB CYS 30 1HB CYS 30 6.087 -8.397 6.776 235 2HB CYS 30 2HB CYS 30 4.492 -9.101 6.597 236 H LEU 31 H LEU 31 3.570 -6.640 4.204 237 HA LEU 31 HA LEU 31 5.546 -5.049 3.103 238 1HB LEU 31 1HB LEU 31 4.080 -6.196 1.681 239 2HB LEU 31 2HB LEU 31 2.653 -5.531 2.450 240 HG LEU 31 HG LEU 31 3.348 -3.262 1.555 241 1HD1 LEU 31 1HD1 LEU 31 4.980 -3.048 -0.119 242 2HD1 LEU 31 2HD1 LEU 31 5.748 -4.037 1.147 243 3HD1 LEU 31 3HD1 LEU 31 5.126 -4.810 -0.330 244 1HD2 LEU 31 1HD2 LEU 31 1.641 -4.939 0.564 245 2HD2 LEU 31 2HD2 LEU 31 2.190 -3.570 -0.432 246 3HD2 LEU 31 3HD2 LEU 31 2.868 -5.195 -0.699 247 H ALA 32 H ALA 32 2.373 -4.090 4.585 248 HA ALA 32 HA ALA 32 2.833 -1.335 4.285 249 1HB ALA 32 1HB ALA 32 0.894 -1.102 5.706 250 2HB ALA 32 2HB ALA 32 0.626 -2.511 4.652 251 3HB ALA 32 3HB ALA 32 1.102 -2.748 6.350 252 H GLN 33 H GLN 33 4.127 -3.748 6.447 253 HA GLN 33 HA GLN 33 4.644 -1.974 8.580 254 1HB GLN 33 1HB GLN 33 4.474 -4.565 8.614 255 2HB GLN 33 2HB GLN 33 6.123 -4.569 8.023 256 1HG GLN 33 1HG GLN 33 6.034 -2.707 10.206 257 2HG GLN 33 2HG GLN 33 5.169 -4.138 10.731 258 1HE2 GLN 33 1HE2 GLN 33 8.197 -2.794 9.707 259 2HE2 GLN 33 2HE2 GLN 33 9.226 -4.128 10.115 260 H HIS 34 H HIS 34 6.734 -3.518 6.033 261 HA HIS 34 HA HIS 34 8.977 -1.955 6.757 262 1HB HIS 34 1HB HIS 34 8.840 -4.260 5.573 263 2HB HIS 34 2HB HIS 34 8.602 -3.336 4.103 264 HD1 HIS 34 1HD HIS 34 10.660 -0.987 5.012 265 HD2 HIS 34 2HD HIS 34 11.414 -5.111 4.857 266 HE1 HIS 34 1HE HIS 34 13.189 -1.244 4.787 267 HE2 HIS 34 2HE HIS 34 13.596 -3.799 4.751 268 H GLU 35 H GLU 35 6.123 -1.437 4.803 269 HA GLU 35 HA GLU 35 7.303 0.524 3.140 270 1HB GLU 35 1HB GLU 35 4.493 -0.438 3.690 271 2HB GLU 35 2HB GLU 35 4.719 1.060 2.810 272 1HG GLU 35 1HG GLU 35 5.877 -1.661 2.045 273 2HG GLU 35 2HG GLU 35 4.548 -0.847 1.243 274 H SER 36 H SER 36 4.800 0.727 5.781 275 HA SER 36 HA SER 36 6.129 2.953 6.905 276 1HB SER 36 1HB SER 36 4.332 3.554 4.819 277 2HB SER 36 2HB SER 36 3.406 3.854 6.276 278 HG SER 36 HG SER 36 6.085 4.862 6.090 279 H ASN 37 H ASN 37 2.673 1.835 6.581 280 HA ASN 37 HA ASN 37 1.355 0.825 7.999 281 1HB ASN 37 1HB ASN 37 3.485 -0.400 8.827 282 2HB ASN 37 2HB ASN 37 3.578 0.799 10.101 283 1HD2 ASN 37 1HD2 ASN 37 3.243 -0.621 11.750 284 2HD2 ASN 37 2HD2 ASN 37 1.733 -1.402 12.075 285 H TYR 38 H TYR 38 0.357 1.278 10.371 286 HA TYR 38 HA TYR 38 -0.548 2.747 11.761 287 1HB TYR 38 1HB TYR 38 2.199 4.071 11.312 288 2HB TYR 38 2HB TYR 38 1.109 4.537 12.603 289 HD1 TYR 38 1HD TYR 38 3.916 2.605 11.839 290 HD2 TYR 38 2HD TYR 38 0.300 2.451 14.122 291 HE1 TYR 38 1HE TYR 38 4.935 0.831 13.348 292 HE2 TYR 38 2HE TYR 38 1.332 0.677 15.623 293 HH TYR 38 HH TYR 38 4.073 -1.013 14.793 294 H ASN 39 H ASN 39 1.172 5.614 11.017 295 HA ASN 39 HA ASN 39 -1.186 6.652 9.770 296 1HB ASN 39 1HB ASN 39 1.399 8.202 10.189 297 2HB ASN 39 2HB ASN 39 -0.243 8.813 10.206 298 1HD2 ASN 39 1HD2 ASN 39 1.216 9.593 12.215 299 2HD2 ASN 39 2HD2 ASN 39 0.852 8.777 13.699 300 H THR 40 H THR 40 -1.323 7.239 7.556 301 HA THR 40 HA THR 40 0.846 6.324 5.865 302 HB THR 40 HB THR 40 -0.832 6.508 4.115 303 HG1 THR 40 1HG THR 40 -2.464 7.843 6.139 304 1HG2 THR 40 1HG2 THR 40 -2.334 5.846 6.702 305 2HG2 THR 40 2HG2 THR 40 -2.819 5.374 5.056 306 3HG2 THR 40 3HG2 THR 40 -1.350 4.680 5.785 307 H ARG 41 H ARG 41 1.921 8.312 7.324 308 HA ARG 41 HA ARG 41 1.501 10.802 6.045 309 1HB ARG 41 1HB ARG 41 2.182 10.702 8.417 310 2HB ARG 41 2HB ARG 41 3.643 9.829 8.000 311 1HG ARG 41 1HG ARG 41 4.585 11.743 6.859 312 2HG ARG 41 2HG ARG 41 3.051 12.592 6.863 313 1HD ARG 41 1HD ARG 41 3.144 12.648 9.399 314 2HD ARG 41 2HD ARG 41 4.733 11.913 9.325 315 HE ARG 41 HE ARG 41 4.066 14.691 8.696 316 1HH1 ARG 41 2HH2 ARG 41 6.379 12.100 8.128 317 2HH1 ARG 41 1HH2 ARG 41 7.675 13.173 7.718 318 1HH2 ARG 41 2HH1 ARG 41 5.775 16.107 8.155 319 2HH2 ARG 41 1HH1 ARG 41 7.329 15.468 7.734 320 H ALA 42 H ALA 42 3.333 7.942 5.386 321 HA ALA 42 HA ALA 42 5.688 8.809 4.339 322 1HB ALA 42 1HB ALA 42 3.760 6.605 3.576 323 2HB ALA 42 2HB ALA 42 5.293 6.829 2.699 324 3HB ALA 42 3HB ALA 42 5.308 6.486 4.445 325 H THR 43 H THR 43 5.902 10.667 3.154 326 HA THR 43 HA THR 43 4.564 10.696 0.567 327 HB THR 43 HB THR 43 4.060 13.222 1.103 328 HG1 THR 43 1HG THR 43 4.120 11.948 3.742 329 1HG2 THR 43 1HG2 THR 43 2.499 10.872 1.469 330 2HG2 THR 43 2HG2 THR 43 2.289 11.815 2.964 331 3HG2 THR 43 3HG2 THR 43 1.895 12.544 1.388 332 H ASN 44 H ASN 44 5.762 11.615 -1.065 333 HA ASN 44 HA ASN 44 8.102 13.095 -0.299 334 1HB ASN 44 1HB ASN 44 8.274 10.303 -0.879 335 2HB ASN 44 2HB ASN 44 8.852 11.109 -2.324 336 1HD2 ASN 44 1HD2 ASN 44 10.783 12.079 -2.356 337 2HD2 ASN 44 2HD2 ASN 44 11.888 12.172 -1.024 338 H TYR 45 H TYR 45 7.291 14.888 -1.512 339 HA TYR 45 HA TYR 45 6.367 14.409 -4.224 340 1HB TYR 45 1HB TYR 45 5.604 16.724 -3.974 341 2HB TYR 45 2HB TYR 45 5.323 15.970 -2.418 342 HD1 TYR 45 1HD TYR 45 7.589 18.241 -4.282 343 HD2 TYR 45 2HD TYR 45 6.452 16.726 -0.446 344 HE1 TYR 45 1HE TYR 45 8.980 20.045 -3.150 345 HE2 TYR 45 2HE TYR 45 7.846 18.533 0.673 346 HH TYR 45 HH TYR 45 8.774 21.212 -0.717 347 H ASN 46 H ASN 46 7.282 15.448 -6.089 348 HA ASN 46 HA ASN 46 9.713 16.884 -5.761 349 1HB ASN 46 1HB ASN 46 9.704 14.106 -7.049 350 2HB ASN 46 2HB ASN 46 10.999 15.261 -7.290 351 1HD2 ASN 46 1HD2 ASN 46 12.390 15.786 -5.635 352 2HD2 ASN 46 2HD2 ASN 46 12.524 14.874 -4.169 353 H ARG 47 H ARG 47 8.995 18.552 -7.134 354 HA ARG 47 HA ARG 47 7.443 17.905 -9.421 355 1HB ARG 47 1HB ARG 47 7.540 20.095 -7.818 356 2HB ARG 47 2HB ARG 47 8.652 20.644 -9.057 357 1HG ARG 47 1HG ARG 47 6.988 20.918 -10.606 358 2HG ARG 47 2HG ARG 47 6.218 19.400 -10.187 359 1HD ARG 47 1HD ARG 47 4.577 20.718 -9.283 360 2HD ARG 47 2HD ARG 47 5.670 20.882 -7.924 361 HE ARG 47 HE ARG 47 6.199 22.814 -10.062 362 1HH1 ARG 47 2HH2 ARG 47 4.308 22.169 -7.166 363 2HH1 ARG 47 1HH2 ARG 47 4.014 23.842 -6.831 364 1HH2 ARG 47 2HH1 ARG 47 5.812 25.022 -9.620 365 2HH2 ARG 47 1HH1 ARG 47 4.875 25.477 -8.236 366 H GLY 48 H GLY 48 10.831 18.618 -8.635 367 1HA GLY 48 1HA GLY 48 12.033 19.584 -10.788 368 2HA GLY 48 2HA GLY 48 12.668 18.200 -9.920 369 H ASP 49 H ASP 49 10.445 16.362 -10.610 370 HA ASP 49 HA ASP 49 10.780 16.223 -13.492 371 1HB ASP 49 1HB ASP 49 12.358 14.675 -12.067 372 2HB ASP 49 2HB ASP 49 10.909 13.749 -11.732 373 H GLN 50 H GLN 50 8.552 17.131 -11.751 374 HA GLN 50 HA GLN 50 6.486 16.635 -11.114 375 1HB GLN 50 1HB GLN 50 6.546 17.254 -13.642 376 2HB GLN 50 2HB GLN 50 6.196 15.564 -13.942 377 1HG GLN 50 1HG GLN 50 4.064 16.663 -13.886 378 2HG GLN 50 2HG GLN 50 4.187 15.797 -12.367 379 1HE2 GLN 50 1HE2 GLN 50 4.806 18.937 -13.893 380 2HE2 GLN 50 2HE2 GLN 50 4.465 19.930 -12.514 381 H SER 51 H SER 51 7.627 14.723 -9.805 382 HA SER 51 HA SER 51 5.951 12.446 -10.310 383 1HB SER 51 1HB SER 51 8.991 12.243 -10.200 384 2HB SER 51 2HB SER 51 7.925 10.864 -10.024 385 HG SER 51 HG SER 51 7.080 12.110 -12.231 386 H THR 52 H THR 52 4.964 12.133 -8.350 387 HA THR 52 HA THR 52 6.563 12.699 -5.942 388 HB THR 52 HB THR 52 3.617 13.033 -6.652 389 HG1 THR 52 1HG THR 52 4.271 15.173 -5.799 390 1HG2 THR 52 1HG2 THR 52 4.940 13.067 -3.888 391 2HG2 THR 52 2HG2 THR 52 3.336 13.752 -4.241 392 3HG2 THR 52 3HG2 THR 52 3.612 12.002 -4.406 393 H ASP 53 H ASP 53 5.875 11.385 -3.981 394 HA ASP 53 HA ASP 53 4.872 8.791 -4.710 395 1HB ASP 53 1HB ASP 53 7.631 9.250 -3.483 396 2HB ASP 53 2HB ASP 53 6.831 7.691 -3.491 397 H TYR 54 H TYR 54 3.293 8.518 -3.126 398 HA TYR 54 HA TYR 54 4.051 8.897 -0.355 399 1HB TYR 54 1HB TYR 54 1.662 10.174 -0.295 400 2HB TYR 54 2HB TYR 54 3.124 11.069 -0.654 401 HD1 TYR 54 1HD TYR 54 2.359 12.789 -2.065 402 HD2 TYR 54 2HD TYR 54 1.265 8.740 -2.909 403 HE1 TYR 54 1HE TYR 54 1.364 13.514 -4.289 404 HE2 TYR 54 2HE TYR 54 0.273 9.479 -5.131 405 HH TYR 54 HH TYR 54 0.135 12.907 -5.991 406 H GLY 55 H GLY 55 2.077 8.240 1.098 407 1HA GLY 55 1HA GLY 55 -0.001 6.997 1.106 408 2HA GLY 55 2HA GLY 55 0.595 6.065 -0.253 409 H ILE 56 H ILE 56 -0.313 4.933 2.251 410 HA ILE 56 HA ILE 56 1.699 4.389 4.058 411 HB ILE 56 HB ILE 56 -0.871 3.880 3.994 412 1HG1 ILE 56 1HG1 ILE 56 1.068 2.039 5.423 413 2HG1 ILE 56 2HG1 ILE 56 0.698 3.677 5.925 414 1HG2 ILE 56 1HG2 ILE 56 -0.512 2.211 2.095 415 2HG2 ILE 56 2HG2 ILE 56 0.167 1.126 3.331 416 3HG2 ILE 56 3HG2 ILE 56 -1.517 1.686 3.467 417 1HD1 ILE 56 1HD1 ILE 56 -1.250 3.032 6.895 418 2HD1 ILE 56 2HD1 ILE 56 -1.758 2.151 5.435 419 3HD1 ILE 56 3HD1 ILE 56 -0.716 1.354 6.638 420 H PHE 57 H PHE 57 0.897 2.847 0.911 421 HA PHE 57 HA PHE 57 3.088 0.980 1.281 422 1HB PHE 57 1HB PHE 57 0.875 1.508 -0.775 423 2HB PHE 57 2HB PHE 57 2.148 0.355 -1.120 424 HD1 PHE 57 1HD PHE 57 2.516 -1.476 0.758 425 HD2 PHE 57 2HD PHE 57 -1.062 0.743 0.226 426 HE1 PHE 57 1HE PHE 57 1.231 -3.258 1.969 427 HE2 PHE 57 2HE PHE 57 -2.348 -1.040 1.438 428 HZ PHE 57 HZ PHE 57 -1.185 -3.019 2.295 429 H GLN 58 H GLN 58 3.139 4.127 0.691 430 HA GLN 58 HA GLN 58 4.296 5.527 -0.512 431 1HB GLN 58 1HB GLN 58 6.099 4.161 0.670 432 2HB GLN 58 2HB GLN 58 6.317 3.267 -0.821 433 1HG GLN 58 1HG GLN 58 7.623 4.913 -1.670 434 2HG GLN 58 2HG GLN 58 6.339 6.088 -1.459 435 1HE2 GLN 58 1HE2 GLN 58 7.470 7.772 -0.716 436 2HE2 GLN 58 2HE2 GLN 58 8.356 7.816 0.772 437 H ILE 59 H ILE 59 2.676 5.536 -2.255 438 HA ILE 59 HA ILE 59 3.463 3.983 -4.603 439 HB ILE 59 HB ILE 59 0.920 5.339 -3.748 440 1HG1 ILE 59 1HG1 ILE 59 1.473 2.490 -4.626 441 2HG1 ILE 59 2HG1 ILE 59 1.468 3.021 -2.957 442 1HG2 ILE 59 1HG2 ILE 59 1.365 5.918 -6.117 443 2HG2 ILE 59 2HG2 ILE 59 1.468 4.181 -6.494 444 3HG2 ILE 59 3HG2 ILE 59 -0.062 4.874 -5.903 445 1HD1 ILE 59 1HD1 ILE 59 -0.912 3.972 -3.461 446 2HD1 ILE 59 2HD1 ILE 59 -0.851 2.944 -4.912 447 3HD1 ILE 59 3HD1 ILE 59 -0.734 2.209 -3.295 448 H ASN 60 H ASN 60 3.901 4.985 -6.615 449 HA ASN 60 HA ASN 60 4.912 7.646 -6.273 450 1HB ASN 60 1HB ASN 60 5.471 7.095 -8.869 451 2HB ASN 60 2HB ASN 60 6.460 6.479 -7.560 452 1HD2 ASN 60 1HD2 ASN 60 6.807 4.394 -7.467 453 2HD2 ASN 60 2HD2 ASN 60 5.885 3.144 -8.235 454 H SER 61 H SER 61 4.071 9.495 -7.396 455 HA SER 61 HA SER 61 1.434 9.080 -8.486 456 1HB SER 61 1HB SER 61 1.961 10.863 -6.740 457 2HB SER 61 2HB SER 61 2.889 11.707 -7.962 458 HG SER 61 HG SER 61 0.728 12.537 -7.853 459 H ARG 62 H ARG 62 4.447 8.798 -9.701 460 HA ARG 62 HA ARG 62 4.104 10.499 -11.981 461 1HB ARG 62 1HB ARG 62 6.329 9.469 -12.681 462 2HB ARG 62 2HB ARG 62 6.370 10.296 -11.137 463 1HG ARG 62 1HG ARG 62 6.633 8.337 -9.925 464 2HG ARG 62 2HG ARG 62 5.656 7.390 -11.029 465 1HD ARG 62 1HD ARG 62 7.472 6.745 -12.259 466 2HD ARG 62 2HD ARG 62 8.118 8.373 -12.321 467 HE ARG 62 HE ARG 62 8.514 7.498 -9.672 468 1HH1 ARG 62 2HH2 ARG 62 9.540 6.507 -12.889 469 2HH1 ARG 62 1HH2 ARG 62 11.036 5.828 -12.342 470 1HH2 ARG 62 2HH1 ARG 62 10.488 6.602 -8.950 471 2HH2 ARG 62 1HH1 ARG 62 11.579 5.882 -10.086 472 H TYR 63 H TYR 63 3.240 7.320 -10.953 473 HA TYR 63 HA TYR 63 2.750 6.549 -13.750 474 1HB TYR 63 1HB TYR 63 4.583 5.397 -12.061 475 2HB TYR 63 2HB TYR 63 3.153 4.570 -11.474 476 HD1 TYR 63 1HD TYR 63 5.835 4.245 -13.628 477 HD2 TYR 63 2HD TYR 63 1.598 3.660 -13.554 478 HE1 TYR 63 1HE TYR 63 6.028 2.556 -15.519 479 HE2 TYR 63 2HE TYR 63 1.805 1.973 -15.444 480 HH TYR 63 HH TYR 63 3.415 1.549 -17.308 481 H TRP 64 H TRP 64 1.851 5.911 -10.285 482 HA TRP 64 HA TRP 64 -0.831 5.216 -11.206 483 1HB TRP 64 1HB TRP 64 0.462 4.925 -8.487 484 2HB TRP 64 2HB TRP 64 -1.153 4.395 -8.915 485 HD1 TRP 64 HD TRP 64 2.281 3.063 -8.714 486 HE1 TRP 64 1HE TRP 64 2.593 0.742 -9.930 487 HE3 TRP 64 3HE TRP 64 -2.091 3.238 -11.304 488 HZ2 TRP 64 2HZ TRP 64 1.011 -0.728 -11.797 489 HZ3 TRP 64 3HZ TRP 64 -2.631 1.320 -12.802 490 HH2 TRP 64 HH TRP 64 -1.162 -0.615 -13.070 491 H CYS 65 H CYS 65 -2.705 6.256 -10.136 492 HA CYS 65 HA CYS 65 -3.851 8.012 -9.496 493 1HB CYS 65 1HB CYS 65 -3.377 8.895 -7.484 494 2HB CYS 65 2HB CYS 65 -2.189 7.607 -7.459 495 H ASN 66 H ASN 66 -4.168 10.327 -10.002 496 HA ASN 66 HA ASN 66 -2.326 11.138 -12.069 497 1HB ASN 66 1HB ASN 66 -4.645 11.226 -12.748 498 2HB ASN 66 2HB ASN 66 -5.136 12.000 -11.255 499 1HD2 ASN 66 1HD2 ASN 66 -6.063 13.764 -12.157 500 2HD2 ASN 66 2HD2 ASN 66 -5.203 15.015 -12.991 501 H ASP 67 H ASP 67 -4.387 13.445 -10.302 502 HA ASP 67 HA ASP 67 -2.707 14.231 -8.314 503 1HB ASP 67 1HB ASP 67 -1.384 14.811 -10.605 504 2HB ASP 67 2HB ASP 67 -2.383 16.249 -10.529 505 H GLY 68 H GLY 68 -4.663 15.476 -11.112 506 1HA GLY 68 1HA GLY 68 -6.777 16.381 -10.997 507 2HA GLY 68 2HA GLY 68 -6.625 16.572 -9.261 508 H LYS 69 H LYS 69 -3.707 17.662 -10.484 509 HA LYS 69 HA LYS 69 -4.741 20.374 -10.910 510 1HB LYS 69 1HB LYS 69 -2.742 19.404 -8.909 511 2HB LYS 69 2HB LYS 69 -2.449 20.953 -9.673 512 1HG LYS 69 1HG LYS 69 -3.902 21.866 -8.188 513 2HG LYS 69 2HG LYS 69 -5.191 21.038 -9.039 514 1HD LYS 69 1HD LYS 69 -5.376 19.373 -7.440 515 2HD LYS 69 2HD LYS 69 -3.658 19.360 -7.095 516 1HE LYS 69 1HE LYS 69 -5.220 21.821 -6.318 517 2HE LYS 69 2HE LYS 69 -5.447 20.375 -5.354 518 1HZ LYS 69 1HZ LYS 69 -2.757 20.576 -5.715 519 2HZ LYS 69 2HZ LYS 69 -3.237 22.112 -5.430 520 3HZ LYS 69 3HZ LYS 69 -3.582 20.935 -4.352 521 H THR 70 H THR 70 -2.071 17.989 -11.333 522 HA THR 70 HA THR 70 -1.220 19.541 -13.687 523 HB THR 70 HB THR 70 0.193 17.805 -11.636 524 HG1 THR 70 1HG THR 70 0.598 20.314 -13.107 525 1HG2 THR 70 1HG2 THR 70 1.316 18.609 -14.370 526 2HG2 THR 70 2HG2 THR 70 2.189 17.760 -13.072 527 3HG2 THR 70 3HG2 THR 70 0.864 16.944 -13.936 528 HA PRO 71 HA PRO 71 -3.089 16.126 -15.722 529 1HB PRO 71 1HB PRO 71 -3.550 17.410 -18.091 530 2HB PRO 71 2HB PRO 71 -4.695 17.406 -16.764 531 1HG PRO 71 1HG PRO 71 -2.913 19.585 -17.667 532 2HG PRO 71 2HG PRO 71 -4.337 19.682 -16.649 533 1HD PRO 71 1HD PRO 71 -1.604 19.814 -15.792 534 2HD PRO 71 2HD PRO 71 -3.023 19.793 -14.766 535 H ARG 72 H ARG 72 -0.825 15.297 -15.342 536 HA ARG 72 HA ARG 72 0.254 14.976 -18.003 537 1HB ARG 72 1HB ARG 72 1.535 16.470 -15.845 538 2HB ARG 72 2HB ARG 72 2.509 15.068 -16.239 539 1HG ARG 72 1HG ARG 72 1.469 17.067 -18.303 540 2HG ARG 72 2HG ARG 72 3.076 17.119 -17.606 541 1HD ARG 72 1HD ARG 72 3.673 14.977 -18.585 542 2HD ARG 72 2HD ARG 72 2.013 14.642 -19.033 543 HE ARG 72 HE ARG 72 3.063 17.113 -20.216 544 1HH1 ARG 72 2HH2 ARG 72 2.742 13.631 -20.603 545 2HH1 ARG 72 1HH2 ARG 72 2.936 13.675 -22.324 546 1HH2 ARG 72 2HH1 ARG 72 3.319 17.173 -22.486 547 2HH2 ARG 72 1HH1 ARG 72 3.266 15.704 -23.402 548 H ALA 73 H ALA 73 0.696 14.115 -14.490 549 HA ALA 73 HA ALA 73 1.964 11.775 -14.629 550 1HB ALA 73 1HB ALA 73 1.443 12.059 -12.456 551 2HB ALA 73 2HB ALA 73 0.012 13.037 -12.856 552 3HB ALA 73 3HB ALA 73 -0.107 11.261 -12.813 553 H VAL 74 H VAL 74 1.606 9.652 -15.260 554 HA VAL 74 HA VAL 74 -0.713 9.271 -16.957 555 HB VAL 74 HB VAL 74 1.545 8.715 -17.738 556 1HG1 VAL 74 1HG1 VAL 74 1.779 6.249 -16.138 557 2HG1 VAL 74 2HG1 VAL 74 3.022 7.424 -16.632 558 3HG1 VAL 74 3HG1 VAL 74 2.000 7.754 -15.213 559 1HG2 VAL 74 1HG2 VAL 74 0.663 6.003 -17.808 560 2HG2 VAL 74 2HG2 VAL 74 -0.779 7.048 -17.836 561 3HG2 VAL 74 3HG2 VAL 74 0.497 7.258 -19.060 562 H ASN 75 H ASN 75 -1.890 9.550 -14.659 563 HA ASN 75 HA ASN 75 -1.856 7.728 -12.731 564 1HB ASN 75 1HB ASN 75 -4.325 8.150 -12.464 565 2HB ASN 75 2HB ASN 75 -3.429 9.629 -12.750 566 1HD2 ASN 75 1HD2 ASN 75 -6.193 9.223 -13.196 567 2HD2 ASN 75 2HD2 ASN 75 -6.532 9.436 -14.881 568 H ALA 76 H ALA 76 -1.420 5.535 -13.323 569 HA ALA 76 HA ALA 76 -2.972 4.287 -15.399 570 1HB ALA 76 1HB ALA 76 -1.593 2.261 -14.531 571 2HB ALA 76 2HB ALA 76 -0.720 3.597 -15.319 572 3HB ALA 76 3HB ALA 76 -0.727 3.462 -13.545 573 H CYS 77 H CYS 77 -3.370 5.006 -12.068 574 HA CYS 77 HA CYS 77 -4.945 2.638 -11.550 575 1HB CYS 77 1HB CYS 77 -3.395 3.639 -9.851 576 2HB CYS 77 2HB CYS 77 -4.463 5.026 -9.761 577 H GLY 78 H GLY 78 -5.212 6.003 -12.577 578 1HA GLY 78 1HA GLY 78 -6.971 7.205 -13.300 579 2HA GLY 78 2HA GLY 78 -7.923 5.734 -13.317 580 H ILE 79 H ILE 79 -6.306 7.670 -10.690 581 HA ILE 79 HA ILE 79 -8.904 8.239 -9.554 582 HB ILE 79 HB ILE 79 -8.767 7.029 -7.659 583 1HG1 ILE 79 1HG1 ILE 79 -6.614 8.077 -6.962 584 2HG1 ILE 79 2HG1 ILE 79 -6.796 6.408 -6.461 585 1HG2 ILE 79 1HG2 ILE 79 -7.084 5.362 -9.549 586 2HG2 ILE 79 2HG2 ILE 79 -7.924 4.756 -8.103 587 3HG2 ILE 79 3HG2 ILE 79 -8.861 5.414 -9.465 588 1HD1 ILE 79 1HD1 ILE 79 -5.472 6.895 -9.115 589 2HD1 ILE 79 2HD1 ILE 79 -4.550 7.294 -7.646 590 3HD1 ILE 79 3HD1 ILE 79 -5.147 5.637 -7.900 591 H ASN 80 H ASN 80 -8.609 9.724 -7.569 592 HA ASN 80 HA ASN 80 -6.714 11.691 -8.371 593 1HB ASN 80 1HB ASN 80 -9.064 11.509 -6.532 594 2HB ASN 80 2HB ASN 80 -7.817 12.618 -5.996 595 1HD2 ASN 80 1HD2 ASN 80 -10.514 13.142 -6.942 596 2HD2 ASN 80 2HD2 ASN 80 -10.395 14.214 -8.298 597 H CYS 81 H CYS 81 -4.660 11.906 -7.453 598 HA CYS 81 HA CYS 81 -3.557 10.089 -5.785 599 1HB CYS 81 1HB CYS 81 -2.831 13.018 -6.012 600 2HB CYS 81 2HB CYS 81 -1.814 11.775 -5.312 601 H SER 82 H SER 82 -5.599 12.911 -5.040 602 HA SER 82 HA SER 82 -4.999 13.291 -2.418 603 1HB SER 82 1HB SER 82 -6.829 14.319 -4.164 604 2HB SER 82 2HB SER 82 -7.899 13.371 -3.152 605 HG SER 82 HG SER 82 -6.720 15.777 -2.611 606 H ALA 83 H ALA 83 -6.762 10.647 -3.992 607 HA ALA 83 HA ALA 83 -8.110 9.690 -1.715 608 1HB ALA 83 1HB ALA 83 -7.155 7.974 -4.016 609 2HB ALA 83 2HB ALA 83 -8.671 7.865 -3.090 610 3HB ALA 83 3HB ALA 83 -8.431 9.192 -4.252 611 H LEU 84 H LEU 84 -4.785 9.920 -2.449 612 HA LEU 84 HA LEU 84 -4.165 7.582 -0.798 613 1HB LEU 84 1HB LEU 84 -2.070 9.140 -2.229 614 2HB LEU 84 2HB LEU 84 -2.141 7.430 -1.848 615 HG LEU 84 HG LEU 84 -3.884 8.750 -3.945 616 1HD1 LEU 84 1HD1 LEU 84 -2.036 8.952 -5.177 617 2HD1 LEU 84 2HD1 LEU 84 -1.067 7.979 -4.044 618 3HD1 LEU 84 3HD1 LEU 84 -2.054 7.176 -5.290 619 1HD2 LEU 84 1HD2 LEU 84 -4.608 6.557 -2.863 620 2HD2 LEU 84 2HD2 LEU 84 -4.495 6.590 -4.639 621 3HD2 LEU 84 3HD2 LEU 84 -3.208 5.821 -3.679 622 H LEU 85 H LEU 85 -5.089 10.611 -0.241 623 HA LEU 85 HA LEU 85 -3.242 10.866 2.006 624 1HB LEU 85 1HB LEU 85 -2.740 12.362 -0.100 625 2HB LEU 85 2HB LEU 85 -4.065 13.325 0.520 626 HG LEU 85 HG LEU 85 -2.900 13.702 2.611 627 1HD1 LEU 85 1HD1 LEU 85 -0.420 12.900 2.678 628 2HD1 LEU 85 2HD1 LEU 85 -1.727 11.786 3.150 629 3HD1 LEU 85 3HD1 LEU 85 -0.983 11.654 1.537 630 1HD2 LEU 85 1HD2 LEU 85 -2.201 14.770 0.172 631 2HD2 LEU 85 2HD2 LEU 85 -1.704 15.388 1.765 632 3HD2 LEU 85 3HD2 LEU 85 -0.629 14.297 0.859 633 H GLN 86 H GLN 86 -6.206 10.079 1.164 634 HA GLN 86 HA GLN 86 -7.586 11.997 2.823 635 1HB GLN 86 1HB GLN 86 -8.574 9.671 1.120 636 2HB GLN 86 2HB GLN 86 -9.634 10.674 2.089 637 1HG GLN 86 1HG GLN 86 -7.908 12.403 0.529 638 2HG GLN 86 2HG GLN 86 -8.611 11.207 -0.543 639 1HE2 GLN 86 1HE2 GLN 86 -9.918 12.664 -1.576 640 2HE2 GLN 86 2HE2 GLN 86 -11.324 13.379 -0.862 641 H ASP 87 H ASP 87 -9.601 10.447 3.987 642 HA ASP 87 HA ASP 87 -8.114 9.272 6.096 643 1HB ASP 87 1HB ASP 87 -10.650 10.454 5.785 644 2HB ASP 87 2HB ASP 87 -11.022 8.769 6.089 645 H ASP 88 H ASP 88 -10.989 8.090 4.180 646 HA ASP 88 HA ASP 88 -10.727 5.466 4.807 647 1HB ASP 88 1HB ASP 88 -11.565 6.315 2.019 648 2HB ASP 88 2HB ASP 88 -12.236 5.036 3.011 649 H ILE 89 H ILE 89 -9.410 3.757 4.037 650 HA ILE 89 HA ILE 89 -7.295 4.542 2.196 651 HB ILE 89 HB ILE 89 -6.206 2.484 2.956 652 1HG1 ILE 89 1HG1 ILE 89 -8.319 2.118 5.060 653 2HG1 ILE 89 2HG1 ILE 89 -8.550 1.410 3.474 654 1HG2 ILE 89 1HG2 ILE 89 -7.027 4.669 4.802 655 2HG2 ILE 89 2HG2 ILE 89 -6.214 3.254 5.514 656 3HG2 ILE 89 3HG2 ILE 89 -5.411 4.187 4.228 657 1HD1 ILE 89 1HD1 ILE 89 -6.963 0.394 5.611 658 2HD1 ILE 89 2HD1 ILE 89 -7.116 -0.269 3.967 659 3HD1 ILE 89 3HD1 ILE 89 -5.828 0.901 4.339 660 H THR 90 H THR 90 -10.389 3.449 1.919 661 HA THR 90 HA THR 90 -10.412 1.154 0.474 662 HB THR 90 HB THR 90 -12.379 2.578 1.167 663 HG1 THR 90 1HG THR 90 -12.516 0.919 -0.535 664 1HG2 THR 90 1HG2 THR 90 -11.457 4.786 0.280 665 2HG2 THR 90 2HG2 THR 90 -11.692 4.155 -1.367 666 3HG2 THR 90 3HG2 THR 90 -13.096 4.407 -0.303 667 H ALA 91 H ALA 91 -9.255 4.359 -0.600 668 HA ALA 91 HA ALA 91 -9.018 3.554 -3.320 669 1HB ALA 91 1HB ALA 91 -9.144 5.936 -2.054 670 2HB ALA 91 2HB ALA 91 -7.376 5.791 -2.210 671 3HB ALA 91 3HB ALA 91 -8.405 5.738 -3.661 672 H ALA 92 H ALA 92 -6.862 3.701 -0.440 673 HA ALA 92 HA ALA 92 -4.486 3.127 -1.784 674 1HB ALA 92 1HB ALA 92 -4.586 4.011 0.498 675 2HB ALA 92 2HB ALA 92 -5.381 2.522 1.064 676 3HB ALA 92 3HB ALA 92 -3.699 2.468 0.484 677 H ILE 93 H ILE 93 -7.098 1.048 -0.444 678 HA ILE 93 HA ILE 93 -5.667 -1.362 -0.926 679 HB ILE 93 HB ILE 93 -8.631 -0.971 -0.513 680 1HG1 ILE 93 1HG1 ILE 93 -6.396 -1.132 1.526 681 2HG1 ILE 93 2HG1 ILE 93 -7.491 0.209 1.257 682 1HG2 ILE 93 1HG2 ILE 93 -8.000 -3.197 -1.293 683 2HG2 ILE 93 2HG2 ILE 93 -6.809 -3.334 0.024 684 3HG2 ILE 93 3HG2 ILE 93 -8.547 -3.241 0.400 685 1HD1 ILE 93 1HD1 ILE 93 -9.272 -1.876 1.653 686 2HD1 ILE 93 2HD1 ILE 93 -7.933 -2.317 2.739 687 3HD1 ILE 93 3HD1 ILE 93 -8.739 -0.739 2.916 688 H GLN 94 H GLN 94 -8.369 0.385 -2.599 689 HA GLN 94 HA GLN 94 -8.683 -1.437 -4.620 690 1HB GLN 94 1HB GLN 94 -10.086 0.659 -3.988 691 2HB GLN 94 2HB GLN 94 -8.984 1.561 -5.008 692 1HG GLN 94 1HG GLN 94 -9.994 -0.916 -6.288 693 2HG GLN 94 2HG GLN 94 -11.266 0.221 -5.885 694 1HE2 GLN 94 1HE2 GLN 94 -8.199 -0.194 -7.560 695 2HE2 GLN 94 2HE2 GLN 94 -8.382 1.087 -8.712 696 H CYS 95 H CYS 95 -6.540 1.481 -4.442 697 HA CYS 95 HA CYS 95 -5.508 1.142 -7.030 698 1HB CYS 95 1HB CYS 95 -5.450 3.144 -5.249 699 2HB CYS 95 2HB CYS 95 -3.862 2.471 -4.937 700 H ALA 96 H ALA 96 -4.514 0.097 -3.718 701 HA ALA 96 HA ALA 96 -2.024 -0.900 -4.261 702 1HB ALA 96 1HB ALA 96 -2.628 -0.879 -2.014 703 2HB ALA 96 2HB ALA 96 -4.229 -1.591 -2.328 704 3HB ALA 96 3HB ALA 96 -2.772 -2.612 -2.393 705 H LYS 97 H LYS 97 -5.238 -2.545 -4.603 706 HA LYS 97 HA LYS 97 -4.085 -4.931 -5.598 707 1HB LYS 97 1HB LYS 97 -6.403 -5.560 -6.080 708 2HB LYS 97 2HB LYS 97 -6.231 -4.923 -4.458 709 1HG LYS 97 1HG LYS 97 -7.187 -2.789 -5.084 710 2HG LYS 97 2HG LYS 97 -7.062 -3.153 -6.793 711 1HD LYS 97 1HD LYS 97 -8.627 -5.213 -6.196 712 2HD LYS 97 2HD LYS 97 -9.002 -4.284 -4.757 713 1HE LYS 97 1HE LYS 97 -10.378 -2.908 -5.928 714 2HE LYS 97 2HE LYS 97 -9.107 -2.525 -7.071 715 1HZ LYS 97 1HZ LYS 97 -10.105 -3.810 -8.530 716 2HZ LYS 97 2HZ LYS 97 -9.997 -5.117 -7.557 717 3HZ LYS 97 3HZ LYS 97 -11.305 -4.142 -7.474 718 H ARG 98 H ARG 98 -5.541 -1.987 -7.090 719 HA ARG 98 HA ARG 98 -5.500 -2.944 -9.673 720 1HB ARG 98 1HB ARG 98 -6.700 -0.875 -8.903 721 2HB ARG 98 2HB ARG 98 -5.161 -0.064 -8.691 722 1HG ARG 98 1HG ARG 98 -5.039 0.447 -10.900 723 2HG ARG 98 2HG ARG 98 -5.290 -1.226 -11.361 724 1HD ARG 98 1HD ARG 98 -7.780 -0.905 -10.995 725 2HD ARG 98 2HD ARG 98 -7.481 0.790 -10.668 726 HE ARG 98 HE ARG 98 -7.089 1.163 -12.960 727 1HH1 ARG 98 2HH2 ARG 98 -7.178 -2.294 -12.306 728 2HH1 ARG 98 1HH2 ARG 98 -7.205 -2.739 -13.980 729 1HH2 ARG 98 2HH1 ARG 98 -7.123 0.575 -15.169 730 2HH2 ARG 98 1HH1 ARG 98 -7.173 -1.097 -15.619 731 H VAL 99 H VAL 99 -2.940 -1.847 -7.540 732 HA VAL 99 HA VAL 99 -1.118 -1.260 -9.704 733 HB VAL 99 HB VAL 99 -0.865 -1.316 -6.694 734 1HG1 VAL 99 1HG1 VAL 99 1.364 -0.991 -6.794 735 2HG1 VAL 99 2HG1 VAL 99 1.233 -1.738 -8.404 736 3HG1 VAL 99 3HG1 VAL 99 1.253 0.035 -8.244 737 1HG2 VAL 99 1HG2 VAL 99 -0.496 1.156 -8.323 738 2HG2 VAL 99 2HG2 VAL 99 -2.151 0.525 -8.152 739 3HG2 VAL 99 3HG2 VAL 99 -1.204 0.942 -6.704 740 H VAL 100 H VAL 100 -1.293 -3.633 -6.950 741 HA VAL 100 HA VAL 100 0.822 -5.199 -7.874 742 HB VAL 100 HB VAL 100 -1.566 -5.937 -6.168 743 1HG1 VAL 100 1HG1 VAL 100 0.326 -7.519 -5.203 744 2HG1 VAL 100 2HG1 VAL 100 -0.651 -8.001 -6.611 745 3HG1 VAL 100 3HG1 VAL 100 0.989 -7.350 -6.847 746 1HG2 VAL 100 1HG2 VAL 100 0.608 -5.591 -4.495 747 2HG2 VAL 100 2HG2 VAL 100 0.802 -4.274 -5.677 748 3HG2 VAL 100 3HG2 VAL 100 -0.710 -4.422 -4.749 749 H ARG 101 H ARG 101 -2.483 -4.834 -8.964 750 HA ARG 101 HA ARG 101 -2.829 -7.372 -10.021 751 1HB ARG 101 1HB ARG 101 -4.086 -4.679 -10.329 752 2HB ARG 101 2HB ARG 101 -4.314 -5.746 -11.700 753 1HG ARG 101 1HG ARG 101 -5.225 -7.511 -10.203 754 2HG ARG 101 2HG ARG 101 -4.944 -6.494 -8.804 755 1HD ARG 101 1HD ARG 101 -6.638 -4.934 -9.434 756 2HD ARG 101 2HD ARG 101 -6.649 -5.472 -11.102 757 HE ARG 101 HE ARG 101 -8.141 -6.643 -8.904 758 1HH1 ARG 101 2HH2 ARG 101 -6.569 -7.414 -11.957 759 2HH1 ARG 101 1HH2 ARG 101 -7.563 -8.800 -12.265 760 1HH2 ARG 101 2HH1 ARG 101 -9.452 -8.472 -9.310 761 2HH2 ARG 101 1HH1 ARG 101 -9.213 -9.405 -10.749 762 H ASP 102 H ASP 102 -0.730 -4.776 -10.913 763 HA ASP 102 HA ASP 102 -0.735 -5.268 -13.695 764 1HB ASP 102 1HB ASP 102 0.417 -3.384 -11.861 765 2HB ASP 102 2HB ASP 102 1.751 -4.098 -12.744 766 HA PRO 103 HA PRO 103 2.502 -8.246 -13.826 767 1HB PRO 103 1HB PRO 103 4.366 -7.352 -15.613 768 2HB PRO 103 2HB PRO 103 2.843 -8.071 -16.096 769 1HG PRO 103 1HG PRO 103 3.646 -5.226 -16.138 770 2HG PRO 103 2HG PRO 103 2.329 -6.008 -16.991 771 1HD PRO 103 1HD PRO 103 2.123 -4.372 -14.644 772 2HD PRO 103 2HD PRO 103 0.824 -5.249 -15.428 773 H GLN 104 H GLN 104 3.038 -5.457 -12.288 774 HA GLN 104 HA GLN 104 5.800 -5.667 -11.856 775 1HB GLN 104 1HB GLN 104 3.684 -4.315 -10.124 776 2HB GLN 104 2HB GLN 104 5.408 -4.010 -10.060 777 1HG GLN 104 1HG GLN 104 4.163 -3.748 -12.767 778 2HG GLN 104 2HG GLN 104 3.653 -2.555 -11.589 779 1HE2 GLN 104 1HE2 GLN 104 5.416 -2.536 -14.041 780 2HE2 GLN 104 2HE2 GLN 104 6.876 -1.737 -13.558 781 H GLY 105 H GLY 105 2.973 -6.372 -9.667 782 1HA GLY 105 1HA GLY 105 2.690 -8.116 -8.234 783 2HA GLY 105 2HA GLY 105 4.245 -8.773 -8.703 784 H ILE 106 H ILE 106 3.263 -8.600 -5.979 785 HA ILE 106 HA ILE 106 3.967 -6.475 -4.488 786 HB ILE 106 HB ILE 106 4.064 -9.423 -4.052 787 1HG1 ILE 106 1HG1 ILE 106 1.933 -8.147 -4.025 788 2HG1 ILE 106 2HG1 ILE 106 2.272 -8.980 -2.522 789 1HG2 ILE 106 1HG2 ILE 106 4.577 -8.851 -1.590 790 2HG2 ILE 106 2HG2 ILE 106 5.929 -8.941 -2.744 791 3HG2 ILE 106 3HG2 ILE 106 5.293 -7.357 -2.240 792 1HD1 ILE 106 1HD1 ILE 106 1.940 -6.990 -1.482 793 2HD1 ILE 106 2HD1 ILE 106 3.499 -6.475 -2.171 794 3HD1 ILE 106 3HD1 ILE 106 1.983 -6.104 -3.026 795 H ARG 107 H ARG 107 6.107 -8.608 -6.321 796 HA ARG 107 HA ARG 107 8.445 -8.397 -5.107 797 1HB ARG 107 1HB ARG 107 7.745 -9.277 -7.521 798 2HB ARG 107 2HB ARG 107 8.325 -7.715 -8.063 799 1HG ARG 107 1HG ARG 107 10.222 -8.935 -6.187 800 2HG ARG 107 2HG ARG 107 9.887 -10.018 -7.524 801 1HD ARG 107 1HD ARG 107 10.185 -7.650 -8.890 802 2HD ARG 107 2HD ARG 107 11.255 -7.356 -7.534 803 HE ARG 107 HE ARG 107 11.983 -9.897 -8.309 804 1HH1 ARG 107 2HH2 ARG 107 11.602 -6.876 -10.072 805 2HH1 ARG 107 1HH2 ARG 107 12.800 -7.269 -11.259 806 1HH2 ARG 107 2HH1 ARG 107 13.564 -10.417 -9.874 807 2HH2 ARG 107 1HH1 ARG 107 13.924 -9.296 -11.146 808 H ALA 108 H ALA 108 6.689 -5.789 -6.818 809 HA ALA 108 HA ALA 108 8.588 -3.923 -7.243 810 1HB ALA 108 1HB ALA 108 6.145 -2.893 -5.915 811 2HB ALA 108 2HB ALA 108 6.804 -2.544 -7.531 812 3HB ALA 108 3HB ALA 108 5.848 -4.020 -7.260 813 H TRP 109 H TRP 109 7.235 -4.999 -4.112 814 HA TRP 109 HA TRP 109 8.920 -3.020 -2.761 815 1HB TRP 109 1HB TRP 109 6.696 -4.753 -1.666 816 2HB TRP 109 2HB TRP 109 7.602 -3.548 -0.772 817 HD1 TRP 109 HD TRP 109 7.098 -0.908 -1.453 818 HE1 TRP 109 1HE TRP 109 5.007 0.322 -2.493 819 HE3 TRP 109 3HE TRP 109 4.877 -5.104 -3.275 820 HZ2 TRP 109 2HZ TRP 109 2.711 -0.578 -3.928 821 HZ3 TRP 109 3HZ TRP 109 2.712 -4.840 -4.483 822 HH2 TRP 109 HH TRP 109 1.630 -2.675 -4.822 823 H VAL 110 H VAL 110 10.699 -4.558 -3.761 824 HA VAL 110 HA VAL 110 11.107 -7.125 -3.027 825 HB VAL 110 HB VAL 110 13.126 -4.877 -3.165 826 1HG1 VAL 110 1HG1 VAL 110 14.783 -6.352 -2.870 827 2HG1 VAL 110 2HG1 VAL 110 13.545 -7.494 -2.292 828 3HG1 VAL 110 3HG1 VAL 110 14.047 -7.516 -3.999 829 1HG2 VAL 110 1HG2 VAL 110 11.704 -6.522 -5.220 830 2HG2 VAL 110 2HG2 VAL 110 12.206 -4.815 -5.263 831 3HG2 VAL 110 3HG2 VAL 110 13.410 -6.103 -5.512 832 H ALA 111 H ALA 111 11.124 -4.255 -0.974 833 HA ALA 111 HA ALA 111 12.673 -5.010 1.126 834 1HB ALA 111 1HB ALA 111 11.816 -2.967 1.584 835 2HB ALA 111 2HB ALA 111 10.328 -3.284 0.659 836 3HB ALA 111 3HB ALA 111 10.471 -3.855 2.340 837 H TRP 112 H TRP 112 9.250 -5.977 0.442 838 HA TRP 112 HA TRP 112 8.878 -7.474 2.754 839 1HB TRP 112 1HB TRP 112 6.869 -7.363 1.838 840 2HB TRP 112 2HB TRP 112 7.521 -7.002 0.251 841 HD1 TRP 112 HD TRP 112 5.902 -9.808 2.180 842 HE1 TRP 112 1HE TRP 112 5.655 -12.009 0.744 843 HE3 TRP 112 3HE TRP 112 8.895 -8.280 -1.637 844 HZ2 TRP 112 2HZ TRP 112 6.716 -12.844 -1.770 845 HZ3 TRP 112 3HZ TRP 112 9.237 -9.850 -3.544 846 HH2 TRP 112 HH TRP 112 8.205 -12.063 -3.650 847 H ARG 113 H ARG 113 10.468 -8.162 -0.383 848 HA ARG 113 HA ARG 113 10.628 -10.907 -0.039 849 1HB ARG 113 1HB ARG 113 11.096 -9.405 -2.144 850 2HB ARG 113 2HB ARG 113 12.720 -9.246 -1.506 851 1HG ARG 113 1HG ARG 113 13.143 -11.607 -1.677 852 2HG ARG 113 2HG ARG 113 11.442 -11.983 -1.869 853 1HD ARG 113 1HD ARG 113 11.381 -11.189 -4.111 854 2HD ARG 113 2HD ARG 113 12.817 -10.205 -3.906 855 HE ARG 113 HE ARG 113 13.668 -12.843 -3.457 856 1HH1 ARG 113 2HH2 ARG 113 12.171 -11.068 -6.100 857 2HH1 ARG 113 1HH2 ARG 113 12.873 -12.059 -7.334 858 1HH2 ARG 113 2HH1 ARG 113 14.596 -14.151 -5.085 859 2HH2 ARG 113 1HH1 ARG 113 14.262 -13.825 -6.752 860 H ALA 114 H ALA 114 12.180 -8.299 1.601 861 HA ALA 114 HA ALA 114 14.209 -10.159 2.635 862 1HB ALA 114 1HB ALA 114 15.864 -8.631 2.321 863 2HB ALA 114 2HB ALA 114 14.759 -7.956 1.098 864 3HB ALA 114 3HB ALA 114 14.810 -7.257 2.735 865 H HIS 115 H HIS 115 11.428 -9.676 3.529 866 HA HIS 115 HA HIS 115 12.101 -8.971 6.239 867 1HB HIS 115 1HB HIS 115 10.976 -7.020 4.557 868 2HB HIS 115 2HB HIS 115 9.641 -7.605 5.528 869 HD1 HIS 115 1HD HIS 115 13.303 -6.919 6.480 870 HD2 HIS 115 2HD HIS 115 9.404 -5.844 7.594 871 HE1 HIS 115 1HE HIS 115 13.535 -5.390 8.508 872 HE2 HIS 115 2HE HIS 115 11.110 -4.718 9.113 873 H CYS 116 H CYS 116 9.608 -9.925 3.809 874 HA CYS 116 HA CYS 116 8.148 -11.336 5.859 875 1HB CYS 116 1HB CYS 116 7.558 -10.233 3.277 876 2HB CYS 116 2HB CYS 116 7.144 -11.935 3.274 877 H GLN 117 H GLN 117 9.847 -12.029 2.714 878 HA GLN 117 HA GLN 117 9.641 -14.776 2.924 879 1HB GLN 117 1HB GLN 117 10.490 -13.055 1.000 880 2HB GLN 117 2HB GLN 117 12.049 -13.622 1.565 881 1HG GLN 117 1HG GLN 117 11.783 -15.562 0.428 882 2HG GLN 117 2HG GLN 117 10.333 -15.923 1.345 883 1HE2 GLN 117 1HE2 GLN 117 9.193 -16.790 -0.313 884 2HE2 GLN 117 2HE2 GLN 117 8.589 -15.895 -1.668 885 H ASN 118 H ASN 118 11.476 -12.542 4.780 886 HA ASN 118 HA ASN 118 13.804 -13.942 5.199 887 1HB ASN 118 1HB ASN 118 12.633 -11.589 6.167 888 2HB ASN 118 2HB ASN 118 12.703 -12.585 7.607 889 1HD2 ASN 118 1HD2 ASN 118 14.477 -12.490 8.741 890 2HD2 ASN 118 2HD2 ASN 118 16.061 -12.060 8.188 891 H ARG 119 H ARG 119 11.052 -13.609 7.572 892 HA ARG 119 HA ARG 119 11.333 -16.445 8.110 893 1HB ARG 119 1HB ARG 119 12.437 -14.696 9.836 894 2HB ARG 119 2HB ARG 119 10.788 -14.563 10.414 895 1HG ARG 119 1HG ARG 119 10.885 -16.589 11.442 896 2HG ARG 119 2HG ARG 119 11.497 -17.372 9.998 897 1HD ARG 119 1HD ARG 119 13.802 -16.619 10.525 898 2HD ARG 119 2HD ARG 119 13.219 -15.731 11.919 899 HE ARG 119 HE ARG 119 12.470 -18.560 11.976 900 1HH1 ARG 119 2HH2 ARG 119 14.993 -16.239 12.770 901 2HH1 ARG 119 1HH2 ARG 119 15.707 -17.241 13.989 902 1HH2 ARG 119 2HH1 ARG 119 13.412 -19.882 13.583 903 2HH2 ARG 119 1HH1 ARG 119 14.803 -19.327 14.454 904 H ASP 120 H ASP 120 9.373 -16.583 10.198 905 HA ASP 120 HA ASP 120 7.048 -16.395 8.626 906 1HB ASP 120 1HB ASP 120 7.490 -18.154 10.378 907 2HB ASP 120 2HB ASP 120 7.361 -16.923 11.619 908 H LEU 121 H LEU 121 6.229 -14.310 8.239 909 HA LEU 121 HA LEU 121 6.271 -12.413 10.460 910 1HB LEU 121 1HB LEU 121 7.198 -11.951 8.099 911 2HB LEU 121 2HB LEU 121 5.520 -11.816 7.612 912 HG LEU 121 HG LEU 121 6.761 -9.663 8.170 913 1HD1 LEU 121 1HD1 LEU 121 4.154 -10.235 8.189 914 2HD1 LEU 121 2HD1 LEU 121 4.340 -9.772 9.898 915 3HD1 LEU 121 3HD1 LEU 121 4.789 -8.627 8.611 916 1HD2 LEU 121 1HD2 LEU 121 7.203 -9.035 10.366 917 2HD2 LEU 121 2HD2 LEU 121 6.174 -10.316 11.049 918 3HD2 LEU 121 3HD2 LEU 121 7.738 -10.732 10.309 919 H SER 122 H SER 122 4.418 -14.883 9.916 920 HA SER 122 HA SER 122 1.903 -13.602 9.515 921 1HB SER 122 1HB SER 122 2.246 -15.869 8.664 922 2HB SER 122 2HB SER 122 2.676 -16.454 10.259 923 HG SER 122 HG SER 122 0.438 -15.731 10.918 924 H GLN 123 H GLN 123 4.068 -14.161 12.146 925 HA GLN 123 HA GLN 123 2.131 -14.511 14.160 926 1HB GLN 123 1HB GLN 123 4.535 -15.209 14.348 927 2HB GLN 123 2HB GLN 123 5.009 -13.521 14.383 928 1HG GLN 123 1HG GLN 123 4.714 -13.552 16.631 929 2HG GLN 123 2HG GLN 123 2.991 -13.712 16.352 930 1HE2 GLN 123 1HE2 GLN 123 2.087 -15.307 17.379 931 2HE2 GLN 123 2HE2 GLN 123 2.784 -16.844 17.771 932 H TYR 124 H TYR 124 3.156 -11.813 12.267 933 HA TYR 124 HA TYR 124 2.696 -9.812 14.267 934 1HB TYR 124 1HB TYR 124 4.007 -10.065 11.820 935 2HB TYR 124 2HB TYR 124 2.525 -9.292 11.295 936 HD1 TYR 124 1HD TYR 124 5.060 -8.889 14.045 937 HD2 TYR 124 2HD TYR 124 2.556 -6.981 11.147 938 HE1 TYR 124 1HE TYR 124 5.997 -6.623 14.717 939 HE2 TYR 124 2HE TYR 124 3.501 -4.721 11.828 940 HH TYR 124 HH TYR 124 5.519 -3.849 12.844 941 H ILE 125 H ILE 125 0.804 -11.529 11.791 942 HA ILE 125 HA ILE 125 -1.411 -9.674 12.222 943 HB ILE 125 HB ILE 125 -2.423 -10.778 10.292 944 1HG1 ILE 125 1HG1 ILE 125 -0.059 -12.201 9.364 945 2HG1 ILE 125 2HG1 ILE 125 -0.649 -12.869 10.873 946 1HG2 ILE 125 1HG2 ILE 125 0.417 -9.875 9.742 947 2HG2 ILE 125 2HG2 ILE 125 -0.951 -9.866 8.602 948 3HG2 ILE 125 3HG2 ILE 125 -0.971 -8.796 10.024 949 1HD1 ILE 125 1HD1 ILE 125 -3.031 -12.583 9.619 950 2HD1 ILE 125 2HD1 ILE 125 -1.984 -12.755 8.190 951 3HD1 ILE 125 3HD1 ILE 125 -2.022 -14.037 9.426 952 H ARG 126 H ARG 126 -0.204 -12.903 12.963 953 HA ARG 126 HA ARG 126 -2.761 -13.890 13.675 954 1HB ARG 126 1HB ARG 126 -0.755 -15.296 12.920 955 2HB ARG 126 2HB ARG 126 -0.014 -14.975 14.475 956 1HG ARG 126 1HG ARG 126 -2.582 -15.833 15.185 957 2HG ARG 126 2HG ARG 126 -2.217 -16.829 13.789 958 1HD ARG 126 1HD ARG 126 -0.208 -17.709 14.813 959 2HD ARG 126 2HD ARG 126 -0.226 -16.492 16.074 960 HE ARG 126 HE ARG 126 -2.678 -17.843 16.317 961 1HH1 ARG 126 2HH2 ARG 126 0.732 -18.695 16.477 962 2HH1 ARG 126 1HH2 ARG 126 0.484 -20.010 17.577 963 1HH2 ARG 126 2HH1 ARG 126 -3.007 -19.577 17.769 964 2HH2 ARG 126 1HH1 ARG 126 -1.658 -20.514 18.318 965 H ASN 127 H ASN 127 -3.816 -13.563 15.616 966 HA ASN 127 HA ASN 127 -4.141 -13.235 17.750 967 1HB ASN 127 1HB ASN 127 -1.892 -14.526 18.067 968 2HB ASN 127 2HB ASN 127 -1.139 -12.953 18.243 969 1HD2 ASN 127 1HD2 ASN 127 -0.985 -12.165 20.194 970 2HD2 ASN 127 2HD2 ASN 127 -1.949 -12.572 21.572 971 H CYS 128 H CYS 128 -3.590 -11.149 15.589 972 HA CYS 128 HA CYS 128 -2.384 -8.959 16.988 973 1HB CYS 128 1HB CYS 128 -2.623 -9.596 14.356 974 2HB CYS 128 2HB CYS 128 -3.926 -8.437 14.521 975 H GLY 129 H GLY 129 -5.614 -10.281 16.234 976 1HA GLY 129 1HA GLY 129 -7.342 -9.773 17.862 977 2HA GLY 129 2HA GLY 129 -6.811 -8.104 17.840 978 H VAL 130 H VAL 130 -7.080 -10.257 14.966 979 HA VAL 130 HA VAL 130 -8.867 -8.304 13.780 980 HB VAL 130 HB VAL 130 -7.208 -10.604 12.796 981 1HG1 VAL 130 1HG1 VAL 130 -8.146 -10.226 10.521 982 2HG1 VAL 130 2HG1 VAL 130 -9.330 -10.906 11.663 983 3HG1 VAL 130 3HG1 VAL 130 -9.392 -9.179 11.241 984 1HG2 VAL 130 1HG2 VAL 130 -7.347 -7.634 12.219 985 2HG2 VAL 130 2HG2 VAL 130 -6.006 -8.561 12.936 986 3HG2 VAL 130 3HG2 VAL 130 -6.416 -8.773 11.217 Start of MODEL 7 1 H LYS 1 H LYS 1 -7.235 6.763 8.244 2 HA LYS 1 HA LYS 1 -5.458 8.070 8.186 3 1HB LYS 1 1HB LYS 1 -5.241 9.865 9.837 4 2HB LYS 1 2HB LYS 1 -6.894 9.697 9.281 5 1HG LYS 1 1HG LYS 1 -6.107 8.128 11.726 6 2HG LYS 1 2HG LYS 1 -6.255 9.864 11.908 7 1HD LYS 1 1HD LYS 1 -8.567 9.709 10.846 8 2HD LYS 1 2HD LYS 1 -8.409 7.964 10.871 9 1HE LYS 1 1HE LYS 1 -7.743 9.061 13.496 10 2HE LYS 1 2HE LYS 1 -9.314 9.646 12.985 11 1HZ LYS 1 1HZ LYS 1 -9.331 7.028 12.313 12 2HZ LYS 1 2HZ LYS 1 -8.552 7.033 13.748 13 3HZ LYS 1 3HZ LYS 1 -10.046 7.680 13.627 14 H VAL 2 H VAL 2 -5.936 6.188 11.182 15 HA VAL 2 HA VAL 2 -3.044 5.679 11.156 16 HB VAL 2 HB VAL 2 -4.888 6.216 13.481 17 1HG1 VAL 2 1HG1 VAL 2 -3.579 4.191 13.976 18 2HG1 VAL 2 2HG1 VAL 2 -2.078 5.068 13.591 19 3HG1 VAL 2 3HG1 VAL 2 -3.067 5.565 14.985 20 1HG2 VAL 2 1HG2 VAL 2 -2.204 7.431 12.754 21 2HG2 VAL 2 2HG2 VAL 2 -3.781 8.148 12.349 22 3HG2 VAL 2 3HG2 VAL 2 -3.306 7.949 14.052 23 H TYR 3 H TYR 3 -2.594 3.579 10.758 24 HA TYR 3 HA TYR 3 -4.478 1.577 11.748 25 1HB TYR 3 1HB TYR 3 -3.317 1.934 8.914 26 2HB TYR 3 2HB TYR 3 -4.165 0.486 9.421 27 HD1 TYR 3 1HD TYR 3 -6.601 0.930 10.436 28 HD2 TYR 3 2HD TYR 3 -4.519 3.586 7.806 29 HE1 TYR 3 1HE TYR 3 -8.807 1.990 9.746 30 HE2 TYR 3 2HE TYR 3 -6.732 4.636 7.126 31 HH TYR 3 HH TYR 3 -8.908 4.459 7.216 32 H GLU 4 H GLU 4 -3.337 0.160 12.963 33 HA GLU 4 HA GLU 4 -0.506 -0.060 12.389 34 1HB GLU 4 1HB GLU 4 -0.304 -1.005 14.638 35 2HB GLU 4 2HB GLU 4 -1.212 0.492 14.714 36 1HG GLU 4 1HG GLU 4 -3.186 -1.471 14.267 37 2HG GLU 4 2HG GLU 4 -2.070 -2.244 15.377 38 H ARG 5 H ARG 5 0.451 -2.372 12.766 39 HA ARG 5 HA ARG 5 -0.175 -4.005 10.848 40 1HB ARG 5 1HB ARG 5 0.534 -5.948 12.466 41 2HB ARG 5 2HB ARG 5 1.674 -4.647 12.186 42 1HG ARG 5 1HG ARG 5 0.358 -3.567 14.297 43 2HG ARG 5 2HG ARG 5 0.051 -5.258 14.644 44 1HD ARG 5 1HD ARG 5 2.750 -5.326 14.021 45 2HD ARG 5 2HD ARG 5 2.613 -3.740 14.753 46 HE ARG 5 HE ARG 5 2.258 -6.325 16.098 47 1HH1 ARG 5 2HH2 ARG 5 1.606 -2.871 16.243 48 2HH1 ARG 5 1HH2 ARG 5 1.390 -2.854 17.961 49 1HH2 ARG 5 2HH1 ARG 5 1.972 -6.304 18.364 50 2HH2 ARG 5 1HH1 ARG 5 1.599 -4.820 19.176 51 H CYS 6 H CYS 6 -1.631 -4.333 14.175 52 HA CYS 6 HA CYS 6 -3.330 -6.404 13.613 53 1HB CYS 6 1HB CYS 6 -3.748 -4.091 15.519 54 2HB CYS 6 2HB CYS 6 -4.687 -5.571 15.515 55 H GLU 7 H GLU 7 -4.555 -3.025 14.105 56 HA GLU 7 HA GLU 7 -6.904 -3.191 12.981 57 1HB GLU 7 1HB GLU 7 -4.894 -1.044 13.210 58 2HB GLU 7 2HB GLU 7 -6.026 -0.765 11.901 59 1HG GLU 7 1HG GLU 7 -7.941 -1.050 13.444 60 2HG GLU 7 2HG GLU 7 -6.856 -1.456 14.759 61 H PHE 8 H PHE 8 -4.030 -2.194 10.973 62 HA PHE 8 HA PHE 8 -5.121 -2.174 8.539 63 1HB PHE 8 1HB PHE 8 -2.594 -2.184 9.651 64 2HB PHE 8 2HB PHE 8 -2.570 -3.763 8.893 65 HD1 PHE 8 1HD PHE 8 -1.231 -0.819 8.373 66 HD2 PHE 8 2HD PHE 8 -4.035 -3.323 6.403 67 HE1 PHE 8 1HE PHE 8 -0.637 0.243 6.178 68 HE2 PHE 8 2HE PHE 8 -3.441 -2.261 4.208 69 HZ PHE 8 HZ PHE 8 -1.749 -0.491 4.121 70 H ALA 9 H ALA 9 -3.822 -5.164 10.151 71 HA ALA 9 HA ALA 9 -4.458 -6.912 8.099 72 1HB ALA 9 1HB ALA 9 -4.477 -8.598 10.057 73 2HB ALA 9 2HB ALA 9 -2.992 -7.650 9.805 74 3HB ALA 9 3HB ALA 9 -4.128 -7.196 11.098 75 H ARG 10 H ARG 10 -6.344 -6.117 11.106 76 HA ARG 10 HA ARG 10 -8.472 -7.679 10.657 77 1HB ARG 10 1HB ARG 10 -8.128 -6.223 12.667 78 2HB ARG 10 2HB ARG 10 -8.514 -4.805 11.712 79 1HG ARG 10 1HG ARG 10 -10.798 -5.685 11.281 80 2HG ARG 10 2HG ARG 10 -10.420 -7.152 12.163 81 1HD ARG 10 1HD ARG 10 -10.777 -6.153 14.187 82 2HD ARG 10 2HD ARG 10 -9.818 -4.750 13.759 83 HE ARG 10 HE ARG 10 -12.726 -5.041 13.462 84 1HH1 ARG 10 2HH2 ARG 10 -9.870 -3.250 12.454 85 2HH1 ARG 10 1HH2 ARG 10 -10.765 -1.850 11.962 86 1HH2 ARG 10 2HH1 ARG 10 -13.907 -3.195 12.813 87 2HH2 ARG 10 1HH1 ARG 10 -13.077 -1.819 12.168 88 H THR 11 H THR 11 -8.185 -4.191 9.624 89 HA THR 11 HA THR 11 -10.535 -4.023 8.206 90 HB THR 11 HB THR 11 -7.797 -2.706 7.849 91 HG1 THR 11 1HG THR 11 -8.846 -1.200 9.232 92 1HG2 THR 11 1HG2 THR 11 -8.728 -1.139 6.379 93 2HG2 THR 11 2HG2 THR 11 -9.628 -2.585 5.861 94 3HG2 THR 11 3HG2 THR 11 -10.381 -1.418 6.974 95 H LEU 12 H LEU 12 -7.273 -4.911 6.888 96 HA LEU 12 HA LEU 12 -7.989 -5.322 4.307 97 1HB LEU 12 1HB LEU 12 -5.790 -5.823 5.930 98 2HB LEU 12 2HB LEU 12 -6.206 -7.402 5.293 99 HG LEU 12 HG LEU 12 -6.279 -6.107 2.985 100 1HD1 LEU 12 1HD1 LEU 12 -4.236 -4.445 3.141 101 2HD1 LEU 12 2HD1 LEU 12 -5.901 -3.898 3.451 102 3HD1 LEU 12 3HD1 LEU 12 -4.811 -4.251 4.814 103 1HD2 LEU 12 1HD2 LEU 12 -3.582 -6.444 3.117 104 2HD2 LEU 12 2HD2 LEU 12 -4.121 -7.432 4.495 105 3HD2 LEU 12 3HD2 LEU 12 -4.759 -7.755 2.866 106 H LYS 13 H LYS 13 -8.165 -7.757 6.995 107 HA LYS 13 HA LYS 13 -9.372 -9.716 5.375 108 1HB LYS 13 1HB LYS 13 -8.131 -9.800 7.725 109 2HB LYS 13 2HB LYS 13 -9.765 -9.660 8.343 110 1HG LYS 13 1HG LYS 13 -10.415 -11.601 6.801 111 2HG LYS 13 2HG LYS 13 -8.712 -11.799 6.436 112 1HD LYS 13 1HD LYS 13 -8.319 -11.982 8.983 113 2HD LYS 13 2HD LYS 13 -10.060 -12.090 9.154 114 1HE LYS 13 1HE LYS 13 -9.548 -13.954 7.139 115 2HE LYS 13 2HE LYS 13 -8.137 -14.119 8.165 116 1HZ LYS 13 1HZ LYS 13 -9.508 -15.415 9.326 117 2HZ LYS 13 2HZ LYS 13 -10.077 -14.024 9.964 118 3HZ LYS 13 3HZ LYS 13 -10.876 -14.744 8.735 119 H ARG 14 H ARG 14 -10.559 -6.860 7.063 120 HA ARG 14 HA ARG 14 -13.232 -7.762 7.145 121 1HB ARG 14 1HB ARG 14 -12.257 -6.007 8.684 122 2HB ARG 14 2HB ARG 14 -12.126 -4.913 7.321 123 1HG ARG 14 1HG ARG 14 -14.589 -5.007 6.980 124 2HG ARG 14 2HG ARG 14 -14.743 -6.155 8.296 125 1HD ARG 14 1HD ARG 14 -14.161 -4.533 9.949 126 2HD ARG 14 2HD ARG 14 -13.412 -3.467 8.778 127 HE ARG 14 HE ARG 14 -15.507 -2.532 8.334 128 1HH1 ARG 14 2HH2 ARG 14 -15.962 -5.669 9.864 129 2HH1 ARG 14 1HH2 ARG 14 -17.679 -5.494 10.006 130 1HH2 ARG 14 2HH1 ARG 14 -17.773 -2.301 8.520 131 2HH2 ARG 14 1HH1 ARG 14 -18.715 -3.565 9.235 132 H ASN 15 H ASN 15 -11.122 -6.161 4.807 133 HA ASN 15 HA ASN 15 -13.347 -5.234 3.251 134 1HB ASN 15 1HB ASN 15 -10.775 -4.311 3.555 135 2HB ASN 15 2HB ASN 15 -10.570 -5.269 2.102 136 1HD2 ASN 15 1HD2 ASN 15 -11.437 -4.637 0.200 137 2HD2 ASN 15 2HD2 ASN 15 -12.255 -3.133 -0.065 138 H GLY 16 H GLY 16 -10.691 -7.689 3.190 139 1HA GLY 16 1HA GLY 16 -11.182 -9.870 2.319 140 2HA GLY 16 2HA GLY 16 -12.157 -9.128 1.067 141 H MET 17 H MET 17 -8.785 -8.722 2.389 142 HA MET 17 HA MET 17 -7.873 -8.952 -0.370 143 1HB MET 17 1HB MET 17 -7.629 -6.705 1.512 144 2HB MET 17 2HB MET 17 -6.038 -7.283 1.058 145 1HG MET 17 1HG MET 17 -7.576 -7.228 -1.355 146 2HG MET 17 2HG MET 17 -7.928 -5.728 -0.521 147 1HE MET 17 1HE MET 17 -6.879 -5.985 -3.106 148 2HE MET 17 2HE MET 17 -5.449 -4.937 -3.264 149 3HE MET 17 3HE MET 17 -5.263 -6.707 -3.299 150 H ALA 18 H ALA 18 -7.140 -9.216 3.148 151 HA ALA 18 HA ALA 18 -4.606 -10.325 2.922 152 1HB ALA 18 1HB ALA 18 -6.647 -9.887 4.941 153 2HB ALA 18 2HB ALA 18 -5.879 -11.476 5.167 154 3HB ALA 18 3HB ALA 18 -4.881 -10.003 5.130 155 H GLY 19 H GLY 19 -3.895 -12.231 2.105 156 1HA GLY 19 1HA GLY 19 -3.933 -14.544 1.904 157 2HA GLY 19 2HA GLY 19 -5.654 -14.565 2.233 158 H TYR 20 H TYR 20 -4.486 -12.112 -0.003 159 HA TYR 20 HA TYR 20 -6.162 -12.770 -2.046 160 1HB TYR 20 1HB TYR 20 -4.269 -10.864 -1.449 161 2HB TYR 20 2HB TYR 20 -3.339 -11.794 -2.606 162 HD1 TYR 20 1HD TYR 20 -6.761 -10.274 -2.294 163 HD2 TYR 20 2HD TYR 20 -3.431 -11.149 -4.833 164 HE1 TYR 20 1HE TYR 20 -7.883 -9.030 -4.207 165 HE2 TYR 20 2HE TYR 20 -4.564 -9.901 -6.736 166 HH TYR 20 HH TYR 20 -6.230 -8.653 -7.326 167 H TYR 21 H TYR 21 -5.072 -13.205 -4.434 168 HA TYR 21 HA TYR 21 -4.865 -15.807 -4.824 169 1HB TYR 21 1HB TYR 21 -3.794 -13.297 -6.023 170 2HB TYR 21 2HB TYR 21 -2.816 -14.685 -6.460 171 HD1 TYR 21 1HD TYR 21 -4.201 -16.796 -7.322 172 HD2 TYR 21 2HD TYR 21 -5.624 -12.761 -7.354 173 HE1 TYR 21 1HE TYR 21 -5.874 -17.392 -9.142 174 HE2 TYR 21 2HE TYR 21 -7.291 -13.371 -9.173 175 HH TYR 21 HH TYR 21 -7.868 -14.897 -10.645 176 H GLY 22 H GLY 22 -2.129 -13.713 -3.749 177 1HA GLY 22 1HA GLY 22 -0.723 -16.165 -2.916 178 2HA GLY 22 2HA GLY 22 0.102 -14.968 -3.893 179 H VAL 23 H VAL 23 -0.266 -12.553 -2.998 180 HA VAL 23 HA VAL 23 1.132 -12.288 -0.698 181 HB VAL 23 HB VAL 23 0.052 -10.011 -0.572 182 1HG1 VAL 23 1HG1 VAL 23 0.793 -10.143 -3.393 183 2HG1 VAL 23 2HG1 VAL 23 1.617 -9.349 -2.031 184 3HG1 VAL 23 3HG1 VAL 23 1.904 -11.075 -2.360 185 1HG2 VAL 23 1HG2 VAL 23 -1.449 -9.315 -2.339 186 2HG2 VAL 23 2HG2 VAL 23 -1.392 -10.933 -3.079 187 3HG2 VAL 23 3HG2 VAL 23 -2.157 -10.709 -1.488 188 H SER 24 H SER 24 0.778 -13.049 1.318 189 HA SER 24 HA SER 24 -1.954 -13.523 2.097 190 1HB SER 24 1HB SER 24 0.591 -14.733 2.653 191 2HB SER 24 2HB SER 24 -0.053 -14.160 4.179 192 HG SER 24 HG SER 24 -1.638 -15.627 4.115 193 H LEU 25 H LEU 25 -2.524 -12.945 4.493 194 HA LEU 25 HA LEU 25 -2.565 -10.244 4.811 195 1HB LEU 25 1HB LEU 25 -4.077 -11.595 5.999 196 2HB LEU 25 2HB LEU 25 -2.799 -12.517 6.765 197 HG LEU 25 HG LEU 25 -2.161 -10.539 8.098 198 1HD1 LEU 25 1HD1 LEU 25 -4.655 -9.127 7.195 199 2HD1 LEU 25 2HD1 LEU 25 -3.210 -8.480 8.008 200 3HD1 LEU 25 3HD1 LEU 25 -3.132 -8.940 6.291 201 1HD2 LEU 25 1HD2 LEU 25 -3.711 -12.169 9.031 202 2HD2 LEU 25 2HD2 LEU 25 -4.115 -10.526 9.585 203 3HD2 LEU 25 3HD2 LEU 25 -5.088 -11.301 8.311 204 H ALA 26 H ALA 26 -0.137 -12.602 6.060 205 HA ALA 26 HA ALA 26 1.315 -10.789 7.590 206 1HB ALA 26 1HB ALA 26 2.545 -13.102 6.078 207 2HB ALA 26 2HB ALA 26 2.921 -12.505 7.712 208 3HB ALA 26 3HB ALA 26 1.403 -13.384 7.414 209 H ASP 27 H ASP 27 1.478 -11.674 4.098 210 HA ASP 27 HA ASP 27 3.781 -10.244 3.560 211 1HB ASP 27 1HB ASP 27 2.802 -11.902 2.010 212 2HB ASP 27 2HB ASP 27 1.377 -10.905 1.797 213 H TRP 28 H TRP 28 0.274 -9.400 3.609 214 HA TRP 28 HA TRP 28 0.536 -6.851 2.449 215 1HB TRP 28 1HB TRP 28 -1.558 -8.251 4.075 216 2HB TRP 28 2HB TRP 28 -1.706 -6.535 3.751 217 HD1 TRP 28 HD TRP 28 -2.398 -9.852 2.158 218 HE1 TRP 28 1HE TRP 28 -3.246 -9.637 -0.332 219 HE3 TRP 28 3HE TRP 28 -1.193 -4.941 1.616 220 HZ2 TRP 28 2HZ TRP 28 -3.316 -7.486 -2.207 221 HZ3 TRP 28 3HZ TRP 28 -1.684 -3.860 -0.576 222 HH2 TRP 28 HH TRP 28 -2.709 -5.051 -2.449 223 H VAL 29 H VAL 29 0.023 -7.878 5.910 224 HA VAL 29 HA VAL 29 0.367 -5.442 7.079 225 HB VAL 29 HB VAL 29 1.157 -8.204 8.019 226 1HG1 VAL 29 1HG1 VAL 29 0.611 -5.888 9.870 227 2HG1 VAL 29 2HG1 VAL 29 1.453 -7.422 10.196 228 3HG1 VAL 29 3HG1 VAL 29 2.243 -6.163 9.216 229 1HG2 VAL 29 1HG2 VAL 29 -1.071 -7.450 9.427 230 2HG2 VAL 29 2HG2 VAL 29 -1.375 -6.702 7.840 231 3HG2 VAL 29 3HG2 VAL 29 -1.082 -8.454 7.957 232 H CYS 30 H CYS 30 2.958 -7.931 6.508 233 HA CYS 30 HA CYS 30 5.053 -6.417 7.408 234 1HB CYS 30 1HB CYS 30 6.436 -7.997 6.499 235 2HB CYS 30 2HB CYS 30 4.931 -8.885 6.637 236 H LEU 31 H LEU 31 3.567 -6.644 4.107 237 HA LEU 31 HA LEU 31 5.317 -4.987 2.775 238 1HB LEU 31 1HB LEU 31 3.860 -6.188 1.459 239 2HB LEU 31 2HB LEU 31 2.458 -5.775 2.425 240 HG LEU 31 HG LEU 31 2.961 -3.330 1.523 241 1HD1 LEU 31 1HD1 LEU 31 4.409 -3.110 -0.147 242 2HD1 LEU 31 2HD1 LEU 31 4.924 -4.787 0.155 243 3HD1 LEU 31 3HD1 LEU 31 3.661 -4.448 -1.052 244 1HD2 LEU 31 1HD2 LEU 31 1.194 -5.437 0.837 245 2HD2 LEU 31 2HD2 LEU 31 0.970 -3.684 0.620 246 3HD2 LEU 31 3HD2 LEU 31 1.702 -4.656 -0.680 247 H ALA 32 H ALA 32 2.187 -4.096 4.394 248 HA ALA 32 HA ALA 32 2.500 -1.350 3.978 249 1HB ALA 32 1HB ALA 32 0.724 -3.192 5.391 250 2HB ALA 32 2HB ALA 32 0.979 -1.688 6.309 251 3HB ALA 32 3HB ALA 32 0.364 -1.619 4.640 252 H GLN 33 H GLN 33 3.954 -3.608 6.255 253 HA GLN 33 HA GLN 33 4.571 -1.721 8.225 254 1HB GLN 33 1HB GLN 33 4.575 -4.329 8.324 255 2HB GLN 33 2HB GLN 33 6.193 -4.225 7.660 256 1HG GLN 33 1HG GLN 33 5.332 -2.713 10.167 257 2HG GLN 33 2HG GLN 33 6.046 -4.312 10.220 258 1HE2 GLN 33 1HE2 GLN 33 6.764 -1.289 10.782 259 2HE2 GLN 33 2HE2 GLN 33 8.414 -1.170 10.270 260 H HIS 34 H HIS 34 6.501 -3.166 5.507 261 HA HIS 34 HA HIS 34 8.765 -1.588 6.032 262 1HB HIS 34 1HB HIS 34 8.514 -3.799 4.707 263 2HB HIS 34 2HB HIS 34 8.070 -2.781 3.350 264 HD1 HIS 34 1HD HIS 34 9.994 -0.666 3.029 265 HD2 HIS 34 2HD HIS 34 11.184 -4.318 4.717 266 HE1 HIS 34 1HE HIS 34 12.529 -0.786 2.760 267 HE2 HIS 34 2HE HIS 34 13.208 -3.026 3.864 268 H GLU 35 H GLU 35 5.691 -0.975 4.477 269 HA GLU 35 HA GLU 35 6.664 1.145 2.864 270 1HB GLU 35 1HB GLU 35 3.908 0.135 3.628 271 2HB GLU 35 2HB GLU 35 4.092 1.629 2.731 272 1HG GLU 35 1HG GLU 35 5.064 -1.138 1.887 273 2HG GLU 35 2HG GLU 35 3.775 -0.211 1.147 274 H SER 36 H SER 36 4.372 1.072 5.697 275 HA SER 36 HA SER 36 5.764 3.191 6.934 276 1HB SER 36 1HB SER 36 4.518 4.475 5.198 277 2HB SER 36 2HB SER 36 3.007 3.800 5.776 278 HG SER 36 HG SER 36 4.740 5.705 7.038 279 H ASN 37 H ASN 37 2.296 2.088 6.692 280 HA ASN 37 HA ASN 37 0.988 1.087 8.105 281 1HB ASN 37 1HB ASN 37 3.109 -0.403 8.491 282 2HB ASN 37 2HB ASN 37 3.332 0.505 9.973 283 1HD2 ASN 37 1HD2 ASN 37 1.364 -1.772 8.233 284 2HD2 ASN 37 2HD2 ASN 37 0.383 -2.322 9.551 285 H TYR 38 H TYR 38 0.397 1.141 10.705 286 HA TYR 38 HA TYR 38 -0.144 2.384 12.458 287 1HB TYR 38 1HB TYR 38 2.606 3.381 11.617 288 2HB TYR 38 2HB TYR 38 1.760 4.322 12.828 289 HD1 TYR 38 1HD TYR 38 3.055 0.907 12.087 290 HD2 TYR 38 2HD TYR 38 1.725 3.640 15.098 291 HE1 TYR 38 1HE TYR 38 3.869 -0.681 13.898 292 HE2 TYR 38 2HE TYR 38 2.543 2.043 16.898 293 HH TYR 38 HH TYR 38 2.984 -0.306 17.152 294 H ASN 39 H ASN 39 1.449 4.738 10.182 295 HA ASN 39 HA ASN 39 -0.991 6.312 10.428 296 1HB ASN 39 1HB ASN 39 1.748 7.308 9.503 297 2HB ASN 39 2HB ASN 39 0.370 8.290 9.958 298 1HD2 ASN 39 1HD2 ASN 39 0.769 9.293 11.769 299 2HD2 ASN 39 2HD2 ASN 39 1.480 8.633 13.205 300 H THR 40 H THR 40 -2.056 6.913 8.470 301 HA THR 40 HA THR 40 -0.865 5.799 6.017 302 HB THR 40 HB THR 40 -3.000 4.747 6.770 303 HG1 THR 40 1HG THR 40 -4.097 5.326 4.706 304 1HG2 THR 40 1HG2 THR 40 -4.784 6.916 6.065 305 2HG2 THR 40 2HG2 THR 40 -4.719 6.005 7.592 306 3HG2 THR 40 3HG2 THR 40 -3.727 7.468 7.387 307 H ARG 41 H ARG 41 0.238 8.181 6.797 308 HA ARG 41 HA ARG 41 -1.133 10.022 5.005 309 1HB ARG 41 1HB ARG 41 -0.901 10.577 7.583 310 2HB ARG 41 2HB ARG 41 0.772 10.929 7.196 311 1HG ARG 41 1HG ARG 41 0.167 12.690 5.673 312 2HG ARG 41 2HG ARG 41 -1.504 12.167 5.600 313 1HD ARG 41 1HD ARG 41 -1.640 14.001 7.073 314 2HD ARG 41 2HD ARG 41 -1.536 12.654 8.191 315 HE ARG 41 HE ARG 41 0.590 14.632 7.615 316 1HH1 ARG 41 2HH2 ARG 41 -0.302 11.616 9.192 317 2HH1 ARG 41 1HH2 ARG 41 1.048 11.635 10.278 318 1HH2 ARG 41 2HH1 ARG 41 2.371 14.658 9.047 319 2HH2 ARG 41 1HH1 ARG 41 2.579 13.378 10.194 320 H ALA 42 H ALA 42 1.057 7.858 4.654 321 HA ALA 42 HA ALA 42 3.558 8.925 4.367 322 1HB ALA 42 1HB ALA 42 3.241 7.181 2.202 323 2HB ALA 42 2HB ALA 42 3.741 6.739 3.852 324 3HB ALA 42 3HB ALA 42 2.028 6.633 3.383 325 H THR 43 H THR 43 4.335 10.625 3.232 326 HA THR 43 HA THR 43 3.356 11.082 0.544 327 HB THR 43 HB THR 43 2.966 13.573 1.235 328 HG1 THR 43 1HG THR 43 2.853 12.032 3.732 329 1HG2 THR 43 1HG2 THR 43 0.981 11.837 2.702 330 2HG2 THR 43 2HG2 THR 43 0.683 13.190 1.584 331 3HG2 THR 43 3HG2 THR 43 1.144 11.593 0.946 332 H ASN 44 H ASN 44 4.956 11.730 -0.785 333 HA ASN 44 HA ASN 44 7.189 13.109 0.382 334 1HB ASN 44 1HB ASN 44 7.330 10.317 0.051 335 2HB ASN 44 2HB ASN 44 8.097 10.921 -1.403 336 1HD2 ASN 44 1HD2 ASN 44 10.194 10.856 -1.172 337 2HD2 ASN 44 2HD2 ASN 44 11.117 11.382 0.196 338 H TYR 45 H TYR 45 7.016 14.891 -1.026 339 HA TYR 45 HA TYR 45 6.363 14.431 -3.809 340 1HB TYR 45 1HB TYR 45 5.794 16.359 -1.912 341 2HB TYR 45 2HB TYR 45 7.230 17.080 -2.609 342 HD1 TYR 45 1HD TYR 45 3.695 16.546 -2.988 343 HD2 TYR 45 2HD TYR 45 7.263 17.528 -5.133 344 HE1 TYR 45 1HE TYR 45 2.299 17.511 -4.882 345 HE2 TYR 45 2HE TYR 45 5.855 18.490 -7.019 346 HH TYR 45 HH TYR 45 3.849 18.704 -7.836 347 H ASN 46 H ASN 46 7.692 15.085 -5.590 348 HA ASN 46 HA ASN 46 10.313 16.024 -5.050 349 1HB ASN 46 1HB ASN 46 9.855 13.166 -6.034 350 2HB ASN 46 2HB ASN 46 11.365 14.009 -6.317 351 1HD2 ASN 46 1HD2 ASN 46 12.354 15.055 -4.354 352 2HD2 ASN 46 2HD2 ASN 46 12.362 14.151 -2.877 353 H ARG 47 H ARG 47 10.134 17.643 -6.637 354 HA ARG 47 HA ARG 47 8.750 17.086 -9.050 355 1HB ARG 47 1HB ARG 47 9.096 19.365 -7.646 356 2HB ARG 47 2HB ARG 47 10.479 19.542 -8.708 357 1HG ARG 47 1HG ARG 47 7.871 18.777 -9.995 358 2HG ARG 47 2HG ARG 47 7.997 20.412 -9.378 359 1HD ARG 47 1HD ARG 47 9.863 20.930 -10.802 360 2HD ARG 47 2HD ARG 47 10.181 19.242 -11.145 361 HE ARG 47 HE ARG 47 7.612 19.576 -12.098 362 1HH1 ARG 47 2HH2 ARG 47 10.628 21.308 -12.631 363 2HH1 ARG 47 1HH2 ARG 47 10.210 21.801 -14.239 364 1HH2 ARG 47 2HH1 ARG 47 7.059 20.225 -14.219 365 2HH2 ARG 47 1HH1 ARG 47 8.167 21.180 -15.148 366 H GLY 48 H GLY 48 12.114 17.241 -7.894 367 1HA GLY 48 1HA GLY 48 13.675 17.671 -10.013 368 2HA GLY 48 2HA GLY 48 13.979 16.382 -8.866 369 H ASP 49 H ASP 49 11.766 14.647 -9.430 370 HA ASP 49 HA ASP 49 12.414 13.928 -12.182 371 1HB ASP 49 1HB ASP 49 12.855 12.461 -9.818 372 2HB ASP 49 2HB ASP 49 11.392 11.751 -10.472 373 H GLN 50 H GLN 50 10.220 15.683 -11.168 374 HA GLN 50 HA GLN 50 8.012 15.806 -10.959 375 1HB GLN 50 1HB GLN 50 8.678 15.959 -13.440 376 2HB GLN 50 2HB GLN 50 8.070 14.325 -13.618 377 1HG GLN 50 1HG GLN 50 6.051 15.312 -14.014 378 2HG GLN 50 2HG GLN 50 5.969 15.530 -12.278 379 1HE2 GLN 50 1HE2 GLN 50 4.858 17.405 -12.259 380 2HE2 GLN 50 2HE2 GLN 50 5.460 18.922 -12.835 381 H SER 51 H SER 51 8.483 13.860 -9.225 382 HA SER 51 HA SER 51 6.320 12.030 -9.752 383 1HB SER 51 1HB SER 51 7.564 10.038 -9.223 384 2HB SER 51 2HB SER 51 8.465 10.883 -10.466 385 HG SER 51 HG SER 51 9.606 10.025 -8.403 386 H THR 52 H THR 52 5.401 11.135 -7.751 387 HA THR 52 HA THR 52 6.494 12.293 -5.288 388 HB THR 52 HB THR 52 3.589 12.470 -6.249 389 HG1 THR 52 1HG THR 52 5.661 14.453 -5.635 390 1HG2 THR 52 1HG2 THR 52 4.976 13.026 -3.634 391 2HG2 THR 52 2HG2 THR 52 3.813 14.246 -4.205 392 3HG2 THR 52 3HG2 THR 52 3.283 12.568 -3.936 393 H ASP 53 H ASP 53 5.837 11.187 -3.332 394 HA ASP 53 HA ASP 53 4.912 8.489 -3.943 395 1HB ASP 53 1HB ASP 53 6.828 9.260 -1.698 396 2HB ASP 53 2HB ASP 53 6.401 7.637 -2.202 397 H TYR 54 H TYR 54 2.750 8.677 -3.207 398 HA TYR 54 HA TYR 54 2.436 9.578 -0.425 399 1HB TYR 54 1HB TYR 54 1.057 10.202 -3.050 400 2HB TYR 54 2HB TYR 54 -0.001 10.022 -1.666 401 HD1 TYR 54 1HD TYR 54 3.373 11.619 -2.109 402 HD2 TYR 54 2HD TYR 54 -0.708 12.099 -0.921 403 HE1 TYR 54 1HE TYR 54 3.847 14.021 -1.427 404 HE2 TYR 54 2HE TYR 54 -0.221 14.500 -0.243 405 HH TYR 54 HH TYR 54 3.036 15.718 -0.142 406 H GLY 55 H GLY 55 0.557 8.608 0.707 407 1HA GLY 55 1HA GLY 55 -1.143 6.978 0.814 408 2HA GLY 55 2HA GLY 55 -0.394 6.100 -0.505 409 H ILE 56 H ILE 56 -1.162 5.255 2.315 410 HA ILE 56 HA ILE 56 1.042 4.981 3.941 411 HB ILE 56 HB ILE 56 -1.386 4.496 4.418 412 1HG1 ILE 56 1HG1 ILE 56 0.478 2.306 5.351 413 2HG1 ILE 56 2HG1 ILE 56 0.650 3.967 5.885 414 1HG2 ILE 56 1HG2 ILE 56 -1.392 2.824 2.371 415 2HG2 ILE 56 2HG2 ILE 56 -0.893 1.659 3.620 416 3HG2 ILE 56 3HG2 ILE 56 -2.421 2.554 3.798 417 1HD1 ILE 56 1HD1 ILE 56 -2.130 2.916 6.042 418 2HD1 ILE 56 2HD1 ILE 56 -0.960 2.111 7.114 419 3HD1 ILE 56 3HD1 ILE 56 -1.205 3.870 7.226 420 H PHE 57 H PHE 57 0.119 3.247 0.974 421 HA PHE 57 HA PHE 57 2.215 1.294 1.394 422 1HB PHE 57 1HB PHE 57 0.049 1.913 -0.680 423 2HB PHE 57 2HB PHE 57 1.279 0.717 -1.035 424 HD1 PHE 57 1HD PHE 57 -1.949 1.088 0.096 425 HD2 PHE 57 2HD PHE 57 1.613 -1.016 1.045 426 HE1 PHE 57 1HE PHE 57 -3.298 -0.656 1.295 427 HE2 PHE 57 2HE PHE 57 0.264 -2.760 2.244 428 HZ PHE 57 HZ PHE 57 -2.176 -2.559 2.353 429 H GLN 58 H GLN 58 2.712 4.314 0.979 430 HA GLN 58 HA GLN 58 3.897 5.664 -0.288 431 1HB GLN 58 1HB GLN 58 5.501 3.881 0.887 432 2HB GLN 58 2HB GLN 58 5.864 3.426 -0.767 433 1HG GLN 58 1HG GLN 58 7.373 5.131 -0.754 434 2HG GLN 58 2HG GLN 58 5.997 6.206 -0.891 435 1HE2 GLN 58 1HE2 GLN 58 5.723 7.682 0.601 436 2HE2 GLN 58 2HE2 GLN 58 6.415 7.707 2.188 437 H ILE 59 H ILE 59 2.087 5.438 -1.997 438 HA ILE 59 HA ILE 59 2.931 3.953 -4.343 439 HB ILE 59 HB ILE 59 0.423 5.367 -3.499 440 1HG1 ILE 59 1HG1 ILE 59 0.962 2.530 -4.427 441 2HG1 ILE 59 2HG1 ILE 59 0.852 3.037 -2.754 442 1HG2 ILE 59 1HG2 ILE 59 1.419 5.200 -6.192 443 2HG2 ILE 59 2HG2 ILE 59 -0.032 4.183 -6.020 444 3HG2 ILE 59 3HG2 ILE 59 -0.097 5.909 -5.586 445 1HD1 ILE 59 1HD1 ILE 59 -1.291 2.066 -3.808 446 2HD1 ILE 59 2HD1 ILE 59 -1.464 3.619 -2.956 447 3HD1 ILE 59 3HD1 ILE 59 -1.394 3.583 -4.733 448 H ASN 60 H ASN 60 3.798 4.852 -6.173 449 HA ASN 60 HA ASN 60 4.758 7.496 -5.909 450 1HB ASN 60 1HB ASN 60 5.601 5.261 -7.280 451 2HB ASN 60 2HB ASN 60 4.837 6.144 -8.589 452 1HD2 ASN 60 1HD2 ASN 60 7.643 5.655 -6.954 453 2HD2 ASN 60 2HD2 ASN 60 8.511 7.107 -7.326 454 H SER 61 H SER 61 3.921 9.381 -6.910 455 HA SER 61 HA SER 61 1.353 9.047 -8.162 456 1HB SER 61 1HB SER 61 2.620 11.749 -7.789 457 2HB SER 61 2HB SER 61 0.943 11.276 -7.606 458 HG SER 61 HG SER 61 1.883 11.693 -5.538 459 H ARG 62 H ARG 62 4.396 8.720 -9.260 460 HA ARG 62 HA ARG 62 4.161 10.491 -11.512 461 1HB ARG 62 1HB ARG 62 6.410 10.436 -10.916 462 2HB ARG 62 2HB ARG 62 6.315 8.805 -10.284 463 1HG ARG 62 1HG ARG 62 6.421 7.830 -12.490 464 2HG ARG 62 2HG ARG 62 6.105 9.368 -13.269 465 1HD ARG 62 1HD ARG 62 8.296 10.246 -12.429 466 2HD ARG 62 2HD ARG 62 8.611 8.712 -11.644 467 HE ARG 62 HE ARG 62 8.015 8.409 -14.489 468 1HH1 ARG 62 2HH2 ARG 62 10.557 9.103 -12.156 469 2HH1 ARG 62 1HH2 ARG 62 11.836 8.591 -13.207 470 1HH2 ARG 62 2HH1 ARG 62 9.701 7.734 -15.874 471 2HH2 ARG 62 1HH1 ARG 62 11.346 7.807 -15.335 472 H TYR 63 H TYR 63 3.438 7.213 -10.573 473 HA TYR 63 HA TYR 63 3.040 6.507 -13.402 474 1HB TYR 63 1HB TYR 63 4.441 5.265 -11.106 475 2HB TYR 63 2HB TYR 63 3.185 4.194 -11.695 476 HD1 TYR 63 1HD TYR 63 6.493 5.516 -12.281 477 HD2 TYR 63 2HD TYR 63 3.215 3.490 -14.139 478 HE1 TYR 63 1HE TYR 63 8.028 4.730 -14.149 479 HE2 TYR 63 2HE TYR 63 4.760 2.711 -16.001 480 HH TYR 63 HH TYR 63 7.703 4.062 -16.583 481 H TRP 64 H TRP 64 1.962 5.941 -9.984 482 HA TRP 64 HA TRP 64 -0.694 5.317 -11.078 483 1HB TRP 64 1HB TRP 64 0.392 4.579 -8.360 484 2HB TRP 64 2HB TRP 64 -1.115 4.057 -9.083 485 HD1 TRP 64 HD TRP 64 -0.889 2.213 -11.143 486 HE1 TRP 64 1HE TRP 64 0.921 0.386 -11.739 487 HE3 TRP 64 3HE TRP 64 2.810 4.181 -8.261 488 HZ2 TRP 64 2HZ TRP 64 3.634 -0.022 -10.955 489 HZ3 TRP 64 3HZ TRP 64 5.008 3.006 -8.232 490 HH2 TRP 64 HH TRP 64 5.451 0.975 -9.517 491 H CYS 65 H CYS 65 -2.545 6.260 -9.895 492 HA CYS 65 HA CYS 65 -3.624 7.981 -9.064 493 1HB CYS 65 1HB CYS 65 -3.240 8.518 -6.889 494 2HB CYS 65 2HB CYS 65 -2.311 7.037 -7.011 495 H ASN 66 H ASN 66 -3.485 10.485 -8.662 496 HA ASN 66 HA ASN 66 -1.165 11.720 -9.755 497 1HB ASN 66 1HB ASN 66 -2.929 10.938 -11.672 498 2HB ASN 66 2HB ASN 66 -3.709 12.439 -11.215 499 1HD2 ASN 66 1HD2 ASN 66 -3.285 13.698 -12.903 500 2HD2 ASN 66 2HD2 ASN 66 -1.711 14.149 -13.469 501 H ASP 67 H ASP 67 -2.332 14.263 -10.352 502 HA ASP 67 HA ASP 67 -3.706 14.849 -7.846 503 1HB ASP 67 1HB ASP 67 -1.590 15.880 -7.610 504 2HB ASP 67 2HB ASP 67 -1.479 16.270 -9.314 505 H GLY 68 H GLY 68 -2.982 16.019 -11.222 506 1HA GLY 68 1HA GLY 68 -4.902 16.261 -12.709 507 2HA GLY 68 2HA GLY 68 -5.765 17.015 -11.383 508 H LYS 69 H LYS 69 -2.553 17.970 -11.052 509 HA LYS 69 HA LYS 69 -3.140 20.478 -12.443 510 1HB LYS 69 1HB LYS 69 -2.706 20.424 -9.936 511 2HB LYS 69 2HB LYS 69 -1.051 19.993 -10.309 512 1HG LYS 69 1HG LYS 69 -0.587 22.070 -11.329 513 2HG LYS 69 2HG LYS 69 -2.268 22.383 -11.704 514 1HD LYS 69 1HD LYS 69 -1.211 22.289 -8.844 515 2HD LYS 69 2HD LYS 69 -1.265 23.768 -9.784 516 1HE LYS 69 1HE LYS 69 -3.727 23.522 -10.068 517 2HE LYS 69 2HE LYS 69 -3.692 22.009 -9.184 518 1HZ LYS 69 1HZ LYS 69 -3.300 24.706 -8.184 519 2HZ LYS 69 2HZ LYS 69 -4.190 23.488 -7.557 520 3HZ LYS 69 3HZ LYS 69 -2.564 23.476 -7.401 521 H THR 70 H THR 70 -1.277 17.570 -12.596 522 HA THR 70 HA THR 70 0.430 18.829 -14.639 523 HB THR 70 HB THR 70 1.096 16.860 -12.405 524 HG1 THR 70 1HG THR 70 2.962 18.683 -12.769 525 1HG2 THR 70 1HG2 THR 70 3.424 16.885 -13.523 526 2HG2 THR 70 2HG2 THR 70 2.203 15.865 -14.322 527 3HG2 THR 70 3HG2 THR 70 2.605 17.464 -14.994 528 HA PRO 71 HA PRO 71 -1.878 15.685 -16.740 529 1HB PRO 71 1HB PRO 71 -2.134 17.029 -19.107 530 2HB PRO 71 2HB PRO 71 -3.317 17.124 -17.818 531 1HG PRO 71 1HG PRO 71 -1.304 19.127 -18.637 532 2HG PRO 71 2HG PRO 71 -2.745 19.352 -17.665 533 1HD PRO 71 1HD PRO 71 -0.041 19.211 -16.719 534 2HD PRO 71 2HD PRO 71 -1.489 19.320 -15.739 535 H ARG 72 H ARG 72 0.329 14.692 -16.276 536 HA ARG 72 HA ARG 72 1.392 14.183 -18.905 537 1HB ARG 72 1HB ARG 72 2.848 15.976 -17.965 538 2HB ARG 72 2HB ARG 72 3.124 15.019 -16.523 539 1HG ARG 72 1HG ARG 72 4.449 13.422 -17.666 540 2HG ARG 72 2HG ARG 72 3.764 13.820 -19.229 541 1HD ARG 72 1HD ARG 72 4.866 16.232 -18.673 542 2HD ARG 72 2HD ARG 72 5.919 15.245 -17.680 543 HE ARG 72 HE ARG 72 5.636 14.057 -20.295 544 1HH1 ARG 72 2HH2 ARG 72 7.219 16.720 -18.628 545 2HH1 ARG 72 1HH2 ARG 72 8.528 16.817 -19.757 546 1HH2 ARG 72 2HH1 ARG 72 7.362 14.185 -21.787 547 2HH2 ARG 72 1HH1 ARG 72 8.610 15.366 -21.566 548 H ALA 73 H ALA 73 1.634 13.519 -15.341 549 HA ALA 73 HA ALA 73 2.847 11.116 -15.316 550 1HB ALA 73 1HB ALA 73 1.588 12.658 -13.493 551 2HB ALA 73 2HB ALA 73 0.377 11.363 -13.653 552 3HB ALA 73 3HB ALA 73 2.045 10.967 -13.173 553 H VAL 74 H VAL 74 1.868 8.865 -15.015 554 HA VAL 74 HA VAL 74 -0.350 8.530 -16.915 555 HB VAL 74 HB VAL 74 1.817 7.858 -17.846 556 1HG1 VAL 74 1HG1 VAL 74 2.363 6.935 -15.269 557 2HG1 VAL 74 2HG1 VAL 74 2.192 5.454 -16.241 558 3HG1 VAL 74 3HG1 VAL 74 3.367 6.702 -16.721 559 1HG2 VAL 74 1HG2 VAL 74 -0.172 6.695 -18.603 560 2HG2 VAL 74 2HG2 VAL 74 1.180 5.544 -18.491 561 3HG2 VAL 74 3HG2 VAL 74 -0.077 5.566 -17.231 562 H ASN 75 H ASN 75 -1.160 9.010 -14.417 563 HA ASN 75 HA ASN 75 -1.030 7.094 -12.535 564 1HB ASN 75 1HB ASN 75 -3.403 7.871 -11.902 565 2HB ASN 75 2HB ASN 75 -2.216 9.149 -12.065 566 1HD2 ASN 75 1HD2 ASN 75 -4.588 10.069 -12.207 567 2HD2 ASN 75 2HD2 ASN 75 -5.147 10.406 -13.812 568 H ALA 76 H ALA 76 -1.124 4.896 -13.225 569 HA ALA 76 HA ALA 76 -2.976 3.985 -15.149 570 1HB ALA 76 1HB ALA 76 -0.888 2.828 -14.802 571 2HB ALA 76 2HB ALA 76 -1.243 2.591 -13.074 572 3HB ALA 76 3HB ALA 76 -2.197 1.729 -14.305 573 H CYS 77 H CYS 77 -3.326 4.966 -11.884 574 HA CYS 77 HA CYS 77 -5.483 3.115 -11.356 575 1HB CYS 77 1HB CYS 77 -3.689 4.022 -9.680 576 2HB CYS 77 2HB CYS 77 -4.747 5.417 -9.577 577 H GLY 78 H GLY 78 -4.810 6.542 -12.187 578 1HA GLY 78 1HA GLY 78 -6.142 8.154 -13.015 579 2HA GLY 78 2HA GLY 78 -7.353 6.931 -13.348 580 H ILE 79 H ILE 79 -5.852 8.314 -10.329 581 HA ILE 79 HA ILE 79 -8.441 9.303 -9.525 582 HB ILE 79 HB ILE 79 -8.872 7.940 -7.788 583 1HG1 ILE 79 1HG1 ILE 79 -6.952 8.369 -6.452 584 2HG1 ILE 79 2HG1 ILE 79 -7.140 6.629 -6.540 585 1HG2 ILE 79 1HG2 ILE 79 -7.236 6.147 -9.601 586 2HG2 ILE 79 2HG2 ILE 79 -8.345 5.572 -8.332 587 3HG2 ILE 79 3HG2 ILE 79 -8.978 6.501 -9.712 588 1HD1 ILE 79 1HD1 ILE 79 -5.526 7.018 -8.711 589 2HD1 ILE 79 2HD1 ILE 79 -4.999 8.368 -7.679 590 3HD1 ILE 79 3HD1 ILE 79 -4.906 6.696 -7.074 591 H ASN 80 H ASN 80 -8.122 10.361 -7.194 592 HA ASN 80 HA ASN 80 -5.809 12.018 -7.541 593 1HB ASN 80 1HB ASN 80 -8.410 12.154 -6.078 594 2HB ASN 80 2HB ASN 80 -7.074 12.899 -5.223 595 1HD2 ASN 80 1HD2 ASN 80 -9.532 13.553 -7.177 596 2HD2 ASN 80 2HD2 ASN 80 -8.942 14.905 -8.085 597 H CYS 81 H CYS 81 -3.905 11.605 -6.407 598 HA CYS 81 HA CYS 81 -3.490 9.467 -4.815 599 1HB CYS 81 1HB CYS 81 -2.066 12.118 -4.519 600 2HB CYS 81 2HB CYS 81 -1.459 10.542 -4.054 601 H SER 82 H SER 82 -4.946 12.615 -4.033 602 HA SER 82 HA SER 82 -4.637 12.590 -1.309 603 1HB SER 82 1HB SER 82 -6.086 14.089 -3.263 604 2HB SER 82 2HB SER 82 -7.246 13.638 -2.029 605 HG SER 82 HG SER 82 -4.730 14.601 -1.120 606 H ALA 83 H ALA 83 -7.031 10.966 -3.439 607 HA ALA 83 HA ALA 83 -8.803 10.154 -1.442 608 1HB ALA 83 1HB ALA 83 -9.281 8.315 -3.229 609 2HB ALA 83 2HB ALA 83 -9.565 10.018 -3.662 610 3HB ALA 83 3HB ALA 83 -8.091 9.194 -4.220 611 H LEU 84 H LEU 84 -5.524 9.283 -2.063 612 HA LEU 84 HA LEU 84 -5.878 6.721 -0.690 613 1HB LEU 84 1HB LEU 84 -3.399 7.731 -2.071 614 2HB LEU 84 2HB LEU 84 -3.760 6.095 -1.555 615 HG LEU 84 HG LEU 84 -5.281 7.562 -3.727 616 1HD1 LEU 84 1HD1 LEU 84 -2.743 6.035 -3.796 617 2HD1 LEU 84 2HD1 LEU 84 -3.933 5.643 -5.060 618 3HD1 LEU 84 3HD1 LEU 84 -3.353 7.315 -4.873 619 1HD2 LEU 84 1HD2 LEU 84 -6.354 5.529 -4.216 620 2HD2 LEU 84 2HD2 LEU 84 -5.229 4.589 -3.208 621 3HD2 LEU 84 3HD2 LEU 84 -6.416 5.672 -2.444 622 H LEU 85 H LEU 85 -5.827 9.724 0.307 623 HA LEU 85 HA LEU 85 -3.985 9.119 2.501 624 1HB LEU 85 1HB LEU 85 -3.252 10.849 0.601 625 2HB LEU 85 2HB LEU 85 -4.213 11.939 1.582 626 HG LEU 85 HG LEU 85 -2.718 10.857 3.536 627 1HD1 LEU 85 1HD1 LEU 85 -1.540 9.380 1.891 628 2HD1 LEU 85 2HD1 LEU 85 -0.827 10.844 1.173 629 3HD1 LEU 85 3HD1 LEU 85 -0.469 10.417 2.863 630 1HD2 LEU 85 1HD2 LEU 85 -2.420 13.058 3.676 631 2HD2 LEU 85 2HD2 LEU 85 -1.035 12.854 2.577 632 3HD2 LEU 85 3HD2 LEU 85 -2.636 13.276 1.923 633 H GLN 86 H GLN 86 -6.951 8.833 2.021 634 HA GLN 86 HA GLN 86 -7.975 10.919 3.730 635 1HB GLN 86 1HB GLN 86 -9.462 8.607 2.409 636 2HB GLN 86 2HB GLN 86 -10.189 10.010 3.164 637 1HG GLN 86 1HG GLN 86 -8.324 11.056 1.287 638 2HG GLN 86 2HG GLN 86 -9.111 9.726 0.461 639 1HE2 GLN 86 1HE2 GLN 86 -10.739 10.363 -0.710 640 2HE2 GLN 86 2HE2 GLN 86 -11.907 11.583 -0.322 641 H ASP 87 H ASP 87 -10.076 9.460 5.021 642 HA ASP 87 HA ASP 87 -8.570 8.389 7.152 643 1HB ASP 87 1HB ASP 87 -10.523 9.474 7.865 644 2HB ASP 87 2HB ASP 87 -11.479 8.861 6.531 645 H ASP 88 H ASP 88 -11.136 7.093 4.901 646 HA ASP 88 HA ASP 88 -10.675 4.439 5.757 647 1HB ASP 88 1HB ASP 88 -12.198 5.606 3.381 648 2HB ASP 88 2HB ASP 88 -12.201 3.899 3.781 649 H ILE 89 H ILE 89 -9.425 2.825 4.677 650 HA ILE 89 HA ILE 89 -7.586 3.840 2.686 651 HB ILE 89 HB ILE 89 -6.416 1.729 3.045 652 1HG1 ILE 89 1HG1 ILE 89 -8.568 1.063 5.073 653 2HG1 ILE 89 2HG1 ILE 89 -8.477 0.360 3.470 654 1HG2 ILE 89 1HG2 ILE 89 -7.123 2.938 5.723 655 2HG2 ILE 89 2HG2 ILE 89 -5.581 2.216 5.202 656 3HG2 ILE 89 3HG2 ILE 89 -6.113 3.770 4.516 657 1HD1 ILE 89 1HD1 ILE 89 -5.974 -0.203 4.158 658 2HD1 ILE 89 2HD1 ILE 89 -6.602 -0.001 5.811 659 3HD1 ILE 89 3HD1 ILE 89 -7.310 -1.229 4.735 660 H THR 90 H THR 90 -10.694 2.851 2.540 661 HA THR 90 HA THR 90 -10.911 0.744 0.836 662 HB THR 90 HB THR 90 -12.736 2.190 1.903 663 HG1 THR 90 1HG THR 90 -13.105 0.598 0.170 664 1HG2 THR 90 1HG2 THR 90 -12.368 3.838 -0.648 665 2HG2 THR 90 2HG2 THR 90 -13.565 4.103 0.642 666 3HG2 THR 90 3HG2 THR 90 -11.839 4.406 0.954 667 H ALA 91 H ALA 91 -10.120 4.152 -0.070 668 HA ALA 91 HA ALA 91 -9.978 3.556 -2.829 669 1HB ALA 91 1HB ALA 91 -9.887 5.800 -2.919 670 2HB ALA 91 2HB ALA 91 -9.899 5.824 -1.139 671 3HB ALA 91 3HB ALA 91 -8.351 5.817 -2.017 672 H ALA 92 H ALA 92 -7.661 3.521 -0.094 673 HA ALA 92 HA ALA 92 -5.332 3.312 -1.623 674 1HB ALA 92 1HB ALA 92 -4.366 2.437 0.496 675 2HB ALA 92 2HB ALA 92 -5.359 3.890 0.759 676 3HB ALA 92 3HB ALA 92 -6.009 2.284 1.163 677 H ILE 93 H ILE 93 -7.541 0.812 -0.208 678 HA ILE 93 HA ILE 93 -6.036 -1.364 -1.152 679 HB ILE 93 HB ILE 93 -8.973 -1.218 -0.464 680 1HG1 ILE 93 1HG1 ILE 93 -6.551 -1.654 1.306 681 2HG1 ILE 93 2HG1 ILE 93 -7.667 -0.305 1.361 682 1HG2 ILE 93 1HG2 ILE 93 -8.220 -3.254 -1.704 683 2HG2 ILE 93 2HG2 ILE 93 -7.097 -3.593 -0.365 684 3HG2 ILE 93 3HG2 ILE 93 -8.852 -3.576 -0.072 685 1HD1 ILE 93 1HD1 ILE 93 -8.301 -3.223 1.979 686 2HD1 ILE 93 2HD1 ILE 93 -8.292 -1.858 3.121 687 3HD1 ILE 93 3HD1 ILE 93 -9.539 -1.950 1.855 688 H GLN 94 H GLN 94 -8.923 0.387 -2.458 689 HA GLN 94 HA GLN 94 -9.342 -1.206 -4.626 690 1HB GLN 94 1HB GLN 94 -10.722 0.784 -3.757 691 2HB GLN 94 2HB GLN 94 -9.632 1.825 -4.652 692 1HG GLN 94 1HG GLN 94 -10.315 -0.140 -6.534 693 2HG GLN 94 2HG GLN 94 -11.809 0.090 -5.647 694 1HE2 GLN 94 1HE2 GLN 94 -9.759 1.257 -8.043 695 2HE2 GLN 94 2HE2 GLN 94 -10.489 2.800 -8.345 696 H CYS 95 H CYS 95 -7.090 1.597 -4.251 697 HA CYS 95 HA CYS 95 -6.231 1.515 -6.935 698 1HB CYS 95 1HB CYS 95 -6.065 3.371 -5.048 699 2HB CYS 95 2HB CYS 95 -4.502 2.630 -4.771 700 H ALA 96 H ALA 96 -5.046 0.190 -3.787 701 HA ALA 96 HA ALA 96 -2.623 -0.806 -4.601 702 1HB ALA 96 1HB ALA 96 -4.524 -2.222 -2.705 703 2HB ALA 96 2HB ALA 96 -2.746 -2.174 -2.651 704 3HB ALA 96 3HB ALA 96 -3.687 -0.711 -2.273 705 H LYS 97 H LYS 97 -5.889 -2.380 -4.746 706 HA LYS 97 HA LYS 97 -4.872 -4.706 -6.004 707 1HB LYS 97 1HB LYS 97 -7.199 -5.334 -6.231 708 2HB LYS 97 2HB LYS 97 -6.908 -4.691 -4.626 709 1HG LYS 97 1HG LYS 97 -8.071 -2.687 -5.062 710 2HG LYS 97 2HG LYS 97 -7.818 -2.790 -6.793 711 1HD LYS 97 1HD LYS 97 -9.529 -4.411 -7.084 712 2HD LYS 97 2HD LYS 97 -9.485 -4.907 -5.403 713 1HE LYS 97 1HE LYS 97 -10.616 -2.915 -4.668 714 2HE LYS 97 2HE LYS 97 -10.320 -2.085 -6.183 715 1HZ LYS 97 1HZ LYS 97 -11.707 -3.882 -7.210 716 2HZ LYS 97 2HZ LYS 97 -12.157 -4.313 -5.700 717 3HZ LYS 97 3HZ LYS 97 -12.507 -2.820 -6.262 718 H ARG 98 H ARG 98 -6.334 -1.618 -7.123 719 HA ARG 98 HA ARG 98 -6.637 -2.392 -9.755 720 1HB ARG 98 1HB ARG 98 -7.689 -0.359 -8.828 721 2HB ARG 98 2HB ARG 98 -6.120 0.363 -8.530 722 1HG ARG 98 1HG ARG 98 -5.981 1.131 -10.662 723 2HG ARG 98 2HG ARG 98 -6.303 -0.460 -11.320 724 1HD ARG 98 1HD ARG 98 -8.738 -0.123 -11.074 725 2HD ARG 98 2HD ARG 98 -8.479 1.408 -10.265 726 HE ARG 98 HE ARG 98 -7.126 1.588 -12.741 727 1HH1 ARG 98 2HH2 ARG 98 -10.432 1.178 -11.609 728 2HH1 ARG 98 1HH2 ARG 98 -11.137 1.944 -12.993 729 1HH2 ARG 98 2HH1 ARG 98 -8.056 2.599 -14.567 730 2HH2 ARG 98 1HH1 ARG 98 -9.776 2.758 -14.687 731 H VAL 99 H VAL 99 -3.812 -1.498 -7.856 732 HA VAL 99 HA VAL 99 -2.216 -0.883 -10.184 733 HB VAL 99 HB VAL 99 -1.776 -0.945 -7.211 734 1HG1 VAL 99 1HG1 VAL 99 0.559 -0.353 -7.526 735 2HG1 VAL 99 2HG1 VAL 99 0.232 -1.925 -8.293 736 3HG1 VAL 99 3HG1 VAL 99 0.381 -0.461 -9.294 737 1HG2 VAL 99 1HG2 VAL 99 -1.429 1.264 -9.266 738 2HG2 VAL 99 2HG2 VAL 99 -2.874 1.024 -8.255 739 3HG2 VAL 99 3HG2 VAL 99 -1.314 1.420 -7.497 740 H VAL 100 H VAL 100 -2.234 -3.371 -7.531 741 HA VAL 100 HA VAL 100 -0.243 -4.962 -8.584 742 HB VAL 100 HB VAL 100 -1.734 -4.951 -6.358 743 1HG1 VAL 100 1HG1 VAL 100 -3.172 -6.887 -6.215 744 2HG1 VAL 100 2HG1 VAL 100 -3.714 -5.870 -7.571 745 3HG1 VAL 100 3HG1 VAL 100 -2.783 -7.353 -7.888 746 1HG2 VAL 100 1HG2 VAL 100 -0.251 -7.339 -7.508 747 2HG2 VAL 100 2HG2 VAL 100 0.448 -5.998 -6.568 748 3HG2 VAL 100 3HG2 VAL 100 -0.687 -7.130 -5.795 749 H ARG 101 H ARG 101 -3.678 -4.624 -9.470 750 HA ARG 101 HA ARG 101 -4.149 -6.916 -10.756 751 1HB ARG 101 1HB ARG 101 -5.615 -4.773 -10.514 752 2HB ARG 101 2HB ARG 101 -4.860 -4.221 -11.996 753 1HG ARG 101 1HG ARG 101 -5.951 -7.012 -12.048 754 2HG ARG 101 2HG ARG 101 -7.140 -5.730 -11.935 755 1HD ARG 101 1HD ARG 101 -6.519 -4.779 -14.016 756 2HD ARG 101 2HD ARG 101 -4.920 -5.495 -13.985 757 HE ARG 101 HE ARG 101 -7.135 -7.438 -14.090 758 1HH1 ARG 101 2HH2 ARG 101 -4.818 -5.533 -15.930 759 2HH1 ARG 101 1HH2 ARG 101 -4.914 -6.541 -17.335 760 1HH2 ARG 101 2HH1 ARG 101 -7.260 -8.768 -15.943 761 2HH2 ARG 101 1HH1 ARG 101 -6.311 -8.394 -17.343 762 H ASP 102 H ASP 102 -1.899 -4.344 -11.665 763 HA ASP 102 HA ASP 102 -1.712 -5.033 -14.375 764 1HB ASP 102 1HB ASP 102 -0.577 -3.112 -12.560 765 2HB ASP 102 2HB ASP 102 0.764 -3.918 -13.349 766 HA PRO 103 HA PRO 103 1.384 -8.151 -14.158 767 1HB PRO 103 1HB PRO 103 3.367 -7.447 -15.901 768 2HB PRO 103 2HB PRO 103 1.838 -8.132 -16.415 769 1HG PRO 103 1HG PRO 103 2.766 -5.330 -16.588 770 2HG PRO 103 2HG PRO 103 1.459 -6.109 -17.456 771 1HD PRO 103 1HD PRO 103 1.214 -4.324 -15.223 772 2HD PRO 103 2HD PRO 103 -0.084 -5.193 -16.018 773 H GLN 104 H GLN 104 2.034 -5.232 -12.856 774 HA GLN 104 HA GLN 104 4.734 -5.529 -12.256 775 1HB GLN 104 1HB GLN 104 2.596 -4.041 -10.668 776 2HB GLN 104 2HB GLN 104 4.324 -3.773 -10.563 777 1HG GLN 104 1HG GLN 104 3.185 -3.622 -13.322 778 2HG GLN 104 2HG GLN 104 2.643 -2.366 -12.226 779 1HE2 GLN 104 1HE2 GLN 104 4.242 -1.992 -14.520 780 2HE2 GLN 104 2HE2 GLN 104 5.784 -1.361 -14.044 781 H GLY 105 H GLY 105 1.821 -6.028 -10.123 782 1HA GLY 105 1HA GLY 105 1.431 -7.642 -8.578 783 2HA GLY 105 2HA GLY 105 2.924 -8.442 -9.029 784 H ILE 106 H ILE 106 1.889 -7.954 -6.305 785 HA ILE 106 HA ILE 106 2.851 -5.847 -4.954 786 HB ILE 106 HB ILE 106 2.581 -8.747 -4.312 787 1HG1 ILE 106 1HG1 ILE 106 0.780 -6.771 -4.384 788 2HG1 ILE 106 2HG1 ILE 106 0.665 -8.125 -3.278 789 1HG2 ILE 106 1HG2 ILE 106 4.329 -8.570 -2.883 790 2HG2 ILE 106 2HG2 ILE 106 4.220 -6.797 -2.783 791 3HG2 ILE 106 3HG2 ILE 106 3.093 -7.811 -1.852 792 1HD1 ILE 106 1HD1 ILE 106 1.358 -6.866 -1.427 793 2HD1 ILE 106 2HD1 ILE 106 2.251 -5.697 -2.429 794 3HD1 ILE 106 3HD1 ILE 106 0.473 -5.640 -2.368 795 H ARG 107 H ARG 107 4.725 -8.381 -6.566 796 HA ARG 107 HA ARG 107 7.056 -8.389 -5.355 797 1HB ARG 107 1HB ARG 107 6.304 -9.320 -7.711 798 2HB ARG 107 2HB ARG 107 7.003 -7.845 -8.348 799 1HG ARG 107 1HG ARG 107 9.169 -8.414 -7.158 800 2HG ARG 107 2HG ARG 107 8.455 -9.935 -6.659 801 1HD ARG 107 1HD ARG 107 9.262 -10.786 -8.618 802 2HD ARG 107 2HD ARG 107 7.947 -9.932 -9.401 803 HE ARG 107 HE ARG 107 10.328 -8.274 -8.924 804 1HH1 ARG 107 2HH2 ARG 107 8.695 -10.444 -11.162 805 2HH1 ARG 107 1HH2 ARG 107 9.546 -9.856 -12.552 806 1HH2 ARG 107 2HH1 ARG 107 11.449 -7.498 -10.758 807 2HH2 ARG 107 1HH1 ARG 107 11.122 -8.169 -12.320 808 H ALA 108 H ALA 108 5.675 -5.660 -7.216 809 HA ALA 108 HA ALA 108 7.786 -4.070 -7.706 810 1HB ALA 108 1HB ALA 108 5.107 -3.249 -6.511 811 2HB ALA 108 2HB ALA 108 6.220 -2.181 -7.399 812 3HB ALA 108 3HB ALA 108 5.436 -3.542 -8.235 813 H TRP 109 H TRP 109 6.338 -4.836 -4.525 814 HA TRP 109 HA TRP 109 8.103 -2.935 -3.220 815 1HB TRP 109 1HB TRP 109 5.951 -4.782 -2.175 816 2HB TRP 109 2HB TRP 109 6.936 -3.746 -1.162 817 HD1 TRP 109 HD TRP 109 6.641 -0.967 -1.729 818 HE1 TRP 109 1HE TRP 109 4.513 0.445 -2.393 819 HE3 TRP 109 3HE TRP 109 3.877 -4.916 -3.348 820 HZ2 TRP 109 2HZ TRP 109 1.969 -0.233 -3.496 821 HZ3 TRP 109 3HZ TRP 109 1.582 -4.455 -4.203 822 HH2 TRP 109 HH TRP 109 0.621 -2.209 -4.293 823 H VAL 110 H VAL 110 9.787 -4.511 -4.510 824 HA VAL 110 HA VAL 110 10.389 -7.015 -3.768 825 HB VAL 110 HB VAL 110 12.237 -4.664 -4.200 826 1HG1 VAL 110 1HG1 VAL 110 13.767 -6.103 -3.297 827 2HG1 VAL 110 2HG1 VAL 110 12.813 -7.551 -3.698 828 3HG1 VAL 110 3HG1 VAL 110 13.757 -6.729 -4.963 829 1HG2 VAL 110 1HG2 VAL 110 10.848 -5.041 -6.115 830 2HG2 VAL 110 2HG2 VAL 110 12.456 -5.710 -6.483 831 3HG2 VAL 110 3HG2 VAL 110 11.119 -6.799 -6.042 832 H ALA 111 H ALA 111 10.594 -4.092 -1.773 833 HA ALA 111 HA ALA 111 12.347 -4.786 0.166 834 1HB ALA 111 1HB ALA 111 10.715 -2.737 -0.178 835 2HB ALA 111 2HB ALA 111 9.662 -3.651 0.930 836 3HB ALA 111 3HB ALA 111 11.291 -3.159 1.452 837 H TRP 112 H TRP 112 8.869 -5.792 -0.072 838 HA TRP 112 HA TRP 112 8.794 -7.276 2.261 839 1HB TRP 112 1HB TRP 112 6.695 -7.252 1.576 840 2HB TRP 112 2HB TRP 112 7.157 -6.856 -0.067 841 HD1 TRP 112 HD TRP 112 5.885 -9.747 2.006 842 HE1 TRP 112 1HE TRP 112 5.537 -11.935 0.573 843 HE3 TRP 112 3HE TRP 112 8.303 -8.050 -2.133 844 HZ2 TRP 112 2HZ TRP 112 6.296 -12.695 -2.071 845 HZ3 TRP 112 3HZ TRP 112 8.455 -9.578 -4.096 846 HH2 TRP 112 HH TRP 112 7.500 -11.828 -4.110 847 H ARG 113 H ARG 113 9.939 -8.050 -1.062 848 HA ARG 113 HA ARG 113 10.235 -10.760 -0.668 849 1HB ARG 113 1HB ARG 113 10.390 -9.381 -2.858 850 2HB ARG 113 2HB ARG 113 12.048 -9.031 -2.414 851 1HG ARG 113 1HG ARG 113 12.148 -11.709 -2.098 852 2HG ARG 113 2HG ARG 113 10.813 -11.656 -3.232 853 1HD ARG 113 1HD ARG 113 12.559 -11.716 -4.758 854 2HD ARG 113 2HD ARG 113 12.453 -9.978 -4.555 855 HE ARG 113 HE ARG 113 14.188 -10.781 -2.529 856 1HH1 ARG 113 2HH2 ARG 113 14.113 -11.160 -6.027 857 2HH1 ARG 113 1HH2 ARG 113 15.838 -11.217 -6.185 858 1HH2 ARG 113 2HH1 ARG 113 16.462 -10.857 -2.737 859 2HH2 ARG 113 1HH1 ARG 113 17.182 -11.043 -4.302 860 H ALA 114 H ALA 114 11.913 -8.095 0.730 861 HA ALA 114 HA ALA 114 14.082 -9.896 1.560 862 1HB ALA 114 1HB ALA 114 14.270 -6.911 0.982 863 2HB ALA 114 2HB ALA 114 15.597 -7.967 1.522 864 3HB ALA 114 3HB ALA 114 14.869 -8.203 -0.085 865 H HIS 115 H HIS 115 11.436 -9.450 2.776 866 HA HIS 115 HA HIS 115 12.412 -8.627 5.358 867 1HB HIS 115 1HB HIS 115 11.126 -6.726 3.802 868 2HB HIS 115 2HB HIS 115 9.831 -7.354 4.800 869 HD1 HIS 115 1HD HIS 115 9.544 -6.051 6.900 870 HD2 HIS 115 2HD HIS 115 13.549 -6.150 5.656 871 HE1 HIS 115 1HE HIS 115 10.855 -4.676 8.602 872 HE2 HIS 115 2HE HIS 115 13.317 -4.818 7.816 873 H CYS 116 H CYS 116 9.654 -9.715 3.294 874 HA CYS 116 HA CYS 116 8.518 -11.106 5.553 875 1HB CYS 116 1HB CYS 116 7.558 -10.081 3.050 876 2HB CYS 116 2HB CYS 116 7.188 -11.791 3.144 877 H GLN 117 H GLN 117 9.786 -11.838 2.218 878 HA GLN 117 HA GLN 117 9.795 -14.616 2.739 879 1HB GLN 117 1HB GLN 117 10.242 -12.836 0.479 880 2HB GLN 117 2HB GLN 117 11.506 -14.049 0.535 881 1HG GLN 117 1HG GLN 117 8.691 -15.006 0.986 882 2HG GLN 117 2HG GLN 117 9.101 -14.495 -0.640 883 1HE2 GLN 117 1HE2 GLN 117 9.695 -16.074 -1.895 884 2HE2 GLN 117 2HE2 GLN 117 10.603 -17.485 -1.463 885 H ASN 118 H ASN 118 11.088 -13.839 4.904 886 HA ASN 118 HA ASN 118 13.801 -14.637 4.335 887 1HB ASN 118 1HB ASN 118 13.482 -12.005 4.594 888 2HB ASN 118 2HB ASN 118 13.323 -12.366 6.301 889 1HD2 ASN 118 1HD2 ASN 118 15.379 -10.883 4.877 890 2HD2 ASN 118 2HD2 ASN 118 16.900 -11.638 5.217 891 H ARG 119 H ARG 119 11.660 -13.371 7.013 892 HA ARG 119 HA ARG 119 12.309 -15.814 8.460 893 1HB ARG 119 1HB ARG 119 13.034 -13.280 9.253 894 2HB ARG 119 2HB ARG 119 11.470 -13.404 10.032 895 1HG ARG 119 1HG ARG 119 12.687 -14.416 11.701 896 2HG ARG 119 2HG ARG 119 12.464 -15.844 10.710 897 1HD ARG 119 1HD ARG 119 14.798 -14.122 9.966 898 2HD ARG 119 2HD ARG 119 14.919 -14.920 11.521 899 HE ARG 119 HE ARG 119 14.871 -16.223 8.877 900 1HH1 ARG 119 2HH2 ARG 119 14.573 -16.645 12.357 901 2HH1 ARG 119 1HH2 ARG 119 14.926 -18.340 12.311 902 1HH2 ARG 119 2HH1 ARG 119 15.336 -18.459 8.814 903 2HH2 ARG 119 1HH1 ARG 119 15.363 -19.380 10.282 904 H ASP 120 H ASP 120 10.480 -15.540 10.598 905 HA ASP 120 HA ASP 120 8.042 -16.015 9.171 906 1HB ASP 120 1HB ASP 120 8.894 -17.497 11.044 907 2HB ASP 120 2HB ASP 120 8.642 -16.171 12.162 908 H LEU 121 H LEU 121 7.048 -14.022 8.627 909 HA LEU 121 HA LEU 121 6.942 -11.971 10.700 910 1HB LEU 121 1HB LEU 121 7.717 -11.601 8.268 911 2HB LEU 121 2HB LEU 121 6.017 -11.690 7.854 912 HG LEU 121 HG LEU 121 7.078 -9.378 8.218 913 1HD1 LEU 121 1HD1 LEU 121 4.653 -9.609 9.935 914 2HD1 LEU 121 2HD1 LEU 121 5.011 -8.504 8.586 915 3HD1 LEU 121 3HD1 LEU 121 4.540 -10.189 8.255 916 1HD2 LEU 121 1HD2 LEU 121 7.424 -8.548 10.366 917 2HD2 LEU 121 2HD2 LEU 121 6.523 -9.876 11.136 918 3HD2 LEU 121 3HD2 LEU 121 8.131 -10.181 10.434 919 H SER 122 H SER 122 5.368 -14.662 10.455 920 HA SER 122 HA SER 122 2.711 -13.746 10.034 921 1HB SER 122 1HB SER 122 4.090 -16.291 10.367 922 2HB SER 122 2HB SER 122 2.674 -16.244 11.398 923 HG SER 122 HG SER 122 1.331 -15.979 9.635 924 H GLN 123 H GLN 123 4.977 -14.085 12.721 925 HA GLN 123 HA GLN 123 3.092 -14.222 14.770 926 1HB GLN 123 1HB GLN 123 5.499 -14.810 15.023 927 2HB GLN 123 2HB GLN 123 5.941 -13.128 14.812 928 1HG GLN 123 1HG GLN 123 4.541 -12.543 16.834 929 2HG GLN 123 2HG GLN 123 4.206 -14.247 17.064 930 1HE2 GLN 123 1HE2 GLN 123 6.369 -11.679 17.567 931 2HE2 GLN 123 2HE2 GLN 123 7.673 -12.539 18.318 932 H TYR 124 H TYR 124 3.908 -11.700 12.584 933 HA TYR 124 HA TYR 124 3.433 -9.518 14.383 934 1HB TYR 124 1HB TYR 124 4.606 -10.009 11.872 935 2HB TYR 124 2HB TYR 124 3.095 -9.254 11.408 936 HD1 TYR 124 1HD TYR 124 5.771 -8.682 13.991 937 HD2 TYR 124 2HD TYR 124 3.198 -6.975 11.029 938 HE1 TYR 124 1HE TYR 124 6.775 -6.388 14.430 939 HE2 TYR 124 2HE TYR 124 4.211 -4.687 11.478 940 HH TYR 124 HH TYR 124 6.349 -3.806 12.346 941 H ILE 125 H ILE 125 1.511 -11.649 12.322 942 HA ILE 125 HA ILE 125 -0.769 -9.834 12.594 943 HB ILE 125 HB ILE 125 -1.809 -11.230 10.871 944 1HG1 ILE 125 1HG1 ILE 125 0.797 -12.618 10.353 945 2HG1 ILE 125 2HG1 ILE 125 -0.269 -13.256 11.589 946 1HG2 ILE 125 1HG2 ILE 125 0.822 -9.874 10.369 947 2HG2 ILE 125 2HG2 ILE 125 -0.055 -10.656 9.032 948 3HG2 ILE 125 3HG2 ILE 125 -0.828 -9.347 9.960 949 1HD1 ILE 125 1HD1 ILE 125 -1.714 -14.087 10.047 950 2HD1 ILE 125 2HD1 ILE 125 -1.756 -12.547 9.155 951 3HD1 ILE 125 3HD1 ILE 125 -0.465 -13.729 8.831 952 H ARG 126 H ARG 126 0.532 -13.047 13.449 953 HA ARG 126 HA ARG 126 -1.918 -13.939 14.513 954 1HB ARG 126 1HB ARG 126 -0.084 -15.466 13.711 955 2HB ARG 126 2HB ARG 126 0.933 -14.926 15.034 956 1HG ARG 126 1HG ARG 126 0.028 -16.849 15.987 957 2HG ARG 126 2HG ARG 126 -1.136 -15.664 16.543 958 1HD ARG 126 1HD ARG 126 -1.967 -16.515 13.917 959 2HD ARG 126 2HD ARG 126 -1.588 -17.957 14.840 960 HE ARG 126 HE ARG 126 -3.515 -15.845 15.762 961 1HH1 ARG 126 2HH2 ARG 126 -2.438 -19.194 15.652 962 2HH1 ARG 126 1HH2 ARG 126 -3.786 -19.790 16.561 963 1HH2 ARG 126 2HH1 ARG 126 -5.293 -16.632 16.962 964 2HH2 ARG 126 1HH1 ARG 126 -5.422 -18.324 17.311 965 H ASN 127 H ASN 127 -2.802 -13.428 16.497 966 HA ASN 127 HA ASN 127 -2.873 -13.033 18.663 967 1HB ASN 127 1HB ASN 127 -0.424 -14.005 18.740 968 2HB ASN 127 2HB ASN 127 0.093 -12.330 18.768 969 1HD2 ASN 127 1HD2 ASN 127 0.988 -12.754 20.828 970 2HD2 ASN 127 2HD2 ASN 127 0.017 -12.759 22.262 971 H CYS 128 H CYS 128 -3.010 -11.131 16.352 972 HA CYS 128 HA CYS 128 -1.965 -8.674 17.498 973 1HB CYS 128 1HB CYS 128 -2.021 -9.565 14.926 974 2HB CYS 128 2HB CYS 128 -3.468 -8.577 14.958 975 H GLY 129 H GLY 129 -4.947 -10.503 16.794 976 1HA GLY 129 1HA GLY 129 -6.811 -10.136 18.273 977 2HA GLY 129 2HA GLY 129 -6.485 -8.416 18.214 978 H VAL 130 H VAL 130 -6.398 -10.722 15.439 979 HA VAL 130 HA VAL 130 -8.312 -9.015 14.079 980 HB VAL 130 HB VAL 130 -6.430 -11.218 13.268 981 1HG1 VAL 130 1HG1 VAL 130 -7.577 -10.216 10.917 982 2HG1 VAL 130 2HG1 VAL 130 -7.807 -11.835 11.619 983 3HG1 VAL 130 3HG1 VAL 130 -8.954 -10.529 12.000 984 1HG2 VAL 130 1HG2 VAL 130 -6.432 -8.765 11.699 985 2HG2 VAL 130 2HG2 VAL 130 -6.194 -8.437 13.431 986 3HG2 VAL 130 3HG2 VAL 130 -5.103 -9.555 12.580 Start of MODEL 8 1 H LYS 1 H LYS 1 -7.045 5.830 6.720 2 HA LYS 1 HA LYS 1 -4.797 7.416 5.694 3 1HB LYS 1 1HB LYS 1 -5.689 9.211 7.214 4 2HB LYS 1 2HB LYS 1 -6.700 8.820 5.838 5 1HG LYS 1 1HG LYS 1 -8.419 8.167 7.176 6 2HG LYS 1 2HG LYS 1 -7.380 7.101 8.102 7 1HD LYS 1 1HD LYS 1 -7.023 8.659 9.762 8 2HD LYS 1 2HD LYS 1 -6.952 10.001 8.637 9 1HE LYS 1 1HE LYS 1 -9.635 8.706 8.899 10 2HE LYS 1 2HE LYS 1 -9.063 9.530 10.336 11 1HZ LYS 1 1HZ LYS 1 -10.274 10.981 8.840 12 2HZ LYS 1 2HZ LYS 1 -8.739 11.500 9.040 13 3HZ LYS 1 3HZ LYS 1 -9.170 10.741 7.660 14 H VAL 2 H VAL 2 -6.196 5.591 8.430 15 HA VAL 2 HA VAL 2 -3.518 5.368 9.521 16 HB VAL 2 HB VAL 2 -5.788 6.809 10.807 17 1HG1 VAL 2 1HG1 VAL 2 -5.667 5.073 12.389 18 2HG1 VAL 2 2HG1 VAL 2 -3.898 4.938 12.244 19 3HG1 VAL 2 3HG1 VAL 2 -4.621 6.349 13.055 20 1HG2 VAL 2 1HG2 VAL 2 -3.110 7.375 10.016 21 2HG2 VAL 2 2HG2 VAL 2 -4.294 8.462 10.782 22 3HG2 VAL 2 3HG2 VAL 2 -3.187 7.501 11.790 23 H TYR 3 H TYR 3 -3.149 3.280 10.096 24 HA TYR 3 HA TYR 3 -5.240 1.679 11.207 25 1HB TYR 3 1HB TYR 3 -5.662 0.359 9.292 26 2HB TYR 3 2HB TYR 3 -5.258 1.856 8.476 27 HD1 TYR 3 1HD TYR 3 -3.379 -1.042 9.969 28 HD2 TYR 3 2HD TYR 3 -3.834 1.641 6.668 29 HE1 TYR 3 1HE TYR 3 -1.481 -2.212 8.746 30 HE2 TYR 3 2HE TYR 3 -1.935 0.463 5.457 31 HH TYR 3 HH TYR 3 -0.943 -1.885 5.521 32 H GLU 4 H GLU 4 -4.407 -0.098 12.329 33 HA GLU 4 HA GLU 4 -1.501 -0.282 12.193 34 1HB GLU 4 1HB GLU 4 -1.580 -1.059 14.528 35 2HB GLU 4 2HB GLU 4 -2.386 0.489 14.373 36 1HG GLU 4 1HG GLU 4 -4.569 -0.498 14.511 37 2HG GLU 4 2HG GLU 4 -3.956 -2.107 14.183 38 H ARG 5 H ARG 5 -0.772 -2.625 13.105 39 HA ARG 5 HA ARG 5 -1.183 -4.410 11.211 40 1HB ARG 5 1HB ARG 5 -0.855 -6.170 13.216 41 2HB ARG 5 2HB ARG 5 0.443 -5.098 12.730 42 1HG ARG 5 1HG ARG 5 -1.276 -3.713 14.623 43 2HG ARG 5 2HG ARG 5 -0.823 -5.267 15.293 44 1HD ARG 5 1HD ARG 5 1.616 -4.666 14.577 45 2HD ARG 5 2HD ARG 5 1.023 -3.033 14.356 46 HE ARG 5 HE ARG 5 1.034 -2.779 16.671 47 1HH1 ARG 5 2HH2 ARG 5 0.783 -6.209 15.928 48 2HH1 ARG 5 1HH2 ARG 5 0.863 -6.706 17.585 49 1HH2 ARG 5 2HH1 ARG 5 1.139 -3.433 18.859 50 2HH2 ARG 5 1HH1 ARG 5 1.066 -5.115 19.263 51 H CYS 6 H CYS 6 -2.877 -4.711 14.428 52 HA CYS 6 HA CYS 6 -4.631 -6.651 13.767 53 1HB CYS 6 1HB CYS 6 -4.447 -4.585 15.798 54 2HB CYS 6 2HB CYS 6 -6.118 -4.914 15.381 55 H GLU 7 H GLU 7 -5.644 -3.158 13.928 56 HA GLU 7 HA GLU 7 -7.938 -3.191 12.729 57 1HB GLU 7 1HB GLU 7 -5.759 -1.273 12.878 58 2HB GLU 7 2HB GLU 7 -6.601 -1.082 11.354 59 1HG GLU 7 1HG GLU 7 -8.299 -1.421 13.816 60 2HG GLU 7 2HG GLU 7 -7.444 0.100 13.644 61 H PHE 8 H PHE 8 -4.981 -2.707 10.656 62 HA PHE 8 HA PHE 8 -6.087 -2.985 8.234 63 1HB PHE 8 1HB PHE 8 -3.564 -2.873 9.312 64 2HB PHE 8 2HB PHE 8 -3.574 -4.568 8.865 65 HD1 PHE 8 1HD PHE 8 -2.384 -4.922 6.932 66 HD2 PHE 8 2HD PHE 8 -4.811 -1.451 7.204 67 HE1 PHE 8 1HE PHE 8 -1.763 -4.304 4.580 68 HE2 PHE 8 2HE PHE 8 -4.190 -0.834 4.851 69 HZ PHE 8 HZ PHE 8 -2.675 -2.267 3.567 70 H ALA 9 H ALA 9 -4.717 -5.779 10.129 71 HA ALA 9 HA ALA 9 -5.373 -7.790 8.435 72 1HB ALA 9 1HB ALA 9 -4.310 -8.743 10.180 73 2HB ALA 9 2HB ALA 9 -4.818 -7.449 11.291 74 3HB ALA 9 3HB ALA 9 -5.901 -8.826 10.975 75 H ARG 10 H ARG 10 -7.487 -6.349 11.011 76 HA ARG 10 HA ARG 10 -9.644 -7.978 10.447 77 1HB ARG 10 1HB ARG 10 -9.288 -6.509 12.509 78 2HB ARG 10 2HB ARG 10 -9.734 -5.120 11.536 79 1HG ARG 10 1HG ARG 10 -11.857 -6.733 10.973 80 2HG ARG 10 2HG ARG 10 -11.454 -7.357 12.560 81 1HD ARG 10 1HD ARG 10 -11.449 -4.388 12.414 82 2HD ARG 10 2HD ARG 10 -13.012 -5.105 12.080 83 HE ARG 10 HE ARG 10 -11.781 -6.317 14.414 84 1HH1 ARG 10 2HH2 ARG 10 -13.562 -3.483 13.327 85 2HH1 ARG 10 1HH2 ARG 10 -14.219 -3.138 14.891 86 1HH2 ARG 10 2HH1 ARG 10 -12.648 -5.862 16.479 87 2HH2 ARG 10 1HH1 ARG 10 -13.696 -4.501 16.697 88 H THR 11 H THR 11 -8.914 -4.553 9.451 89 HA THR 11 HA THR 11 -11.173 -4.145 7.898 90 HB THR 11 HB THR 11 -8.316 -3.060 7.795 91 HG1 THR 11 1HG THR 11 -9.585 -1.299 8.857 92 1HG2 THR 11 1HG2 THR 11 -10.860 -2.101 6.383 93 2HG2 THR 11 2HG2 THR 11 -9.412 -1.092 6.615 94 3HG2 THR 11 3HG2 THR 11 -9.325 -2.555 5.606 95 H LEU 12 H LEU 12 -7.913 -5.332 6.840 96 HA LEU 12 HA LEU 12 -8.581 -5.675 4.187 97 1HB LEU 12 1HB LEU 12 -6.454 -6.408 5.994 98 2HB LEU 12 2HB LEU 12 -6.781 -7.718 4.877 99 HG LEU 12 HG LEU 12 -6.675 -5.827 3.054 100 1HD1 LEU 12 1HD1 LEU 12 -4.793 -4.192 3.834 101 2HD1 LEU 12 2HD1 LEU 12 -6.496 -3.842 4.213 102 3HD1 LEU 12 3HD1 LEU 12 -5.432 -4.535 5.460 103 1HD2 LEU 12 1HD2 LEU 12 -3.929 -6.275 3.903 104 2HD2 LEU 12 2HD2 LEU 12 -4.910 -7.756 4.006 105 3HD2 LEU 12 3HD2 LEU 12 -4.799 -6.868 2.467 106 H LYS 13 H LYS 13 -8.857 -7.994 6.957 107 HA LYS 13 HA LYS 13 -9.879 -10.089 5.411 108 1HB LYS 13 1HB LYS 13 -8.876 -10.085 7.792 109 2HB LYS 13 2HB LYS 13 -10.484 -9.651 8.336 110 1HG LYS 13 1HG LYS 13 -10.913 -11.889 8.340 111 2HG LYS 13 2HG LYS 13 -11.035 -11.744 6.597 112 1HD LYS 13 1HD LYS 13 -8.512 -12.157 6.474 113 2HD LYS 13 2HD LYS 13 -8.545 -12.505 8.191 114 1HE LYS 13 1HE LYS 13 -10.178 -14.347 7.805 115 2HE LYS 13 2HE LYS 13 -10.207 -13.981 6.091 116 1HZ LYS 13 1HZ LYS 13 -7.686 -14.314 6.290 117 2HZ LYS 13 2HZ LYS 13 -8.040 -15.125 7.664 118 3HZ LYS 13 3HZ LYS 13 -8.655 -15.628 6.236 119 H ARG 14 H ARG 14 -11.316 -7.150 6.761 120 HA ARG 14 HA ARG 14 -13.959 -8.164 6.379 121 1HB ARG 14 1HB ARG 14 -13.241 -6.510 8.219 122 2HB ARG 14 2HB ARG 14 -13.106 -5.288 6.970 123 1HG ARG 14 1HG ARG 14 -15.347 -4.938 6.986 124 2HG ARG 14 2HG ARG 14 -15.662 -6.635 6.687 125 1HD ARG 14 1HD ARG 14 -14.818 -5.874 9.476 126 2HD ARG 14 2HD ARG 14 -16.430 -5.402 8.974 127 HE ARG 14 HE ARG 14 -16.233 -8.074 8.195 128 1HH1 ARG 14 2HH2 ARG 14 -15.867 -6.328 11.228 129 2HH1 ARG 14 1HH2 ARG 14 -16.379 -7.664 12.206 130 1HH2 ARG 14 2HH1 ARG 14 -16.907 -9.835 9.484 131 2HH2 ARG 14 1HH1 ARG 14 -16.973 -9.672 11.206 132 H ASN 15 H ASN 15 -11.488 -6.542 4.542 133 HA ASN 15 HA ASN 15 -13.355 -5.273 2.780 134 1HB ASN 15 1HB ASN 15 -10.754 -4.706 3.486 135 2HB ASN 15 2HB ASN 15 -10.473 -5.578 1.991 136 1HD2 ASN 15 1HD2 ASN 15 -12.329 -2.941 3.448 137 2HD2 ASN 15 2HD2 ASN 15 -12.461 -1.946 2.037 138 H GLY 16 H GLY 16 -11.067 -8.062 2.908 139 1HA GLY 16 1HA GLY 16 -11.637 -10.095 1.806 140 2HA GLY 16 2HA GLY 16 -12.378 -9.176 0.511 141 H MET 17 H MET 17 -9.201 -8.597 2.145 142 HA MET 17 HA MET 17 -7.964 -9.149 -0.442 143 1HB MET 17 1HB MET 17 -8.130 -6.666 0.515 144 2HB MET 17 2HB MET 17 -6.845 -7.173 1.593 145 1HG MET 17 1HG MET 17 -5.621 -7.998 -0.576 146 2HG MET 17 2HG MET 17 -6.787 -7.020 -1.445 147 1HE MET 17 1HE MET 17 -4.878 -6.138 -2.427 148 2HE MET 17 2HE MET 17 -5.296 -4.428 -2.164 149 3HE MET 17 3HE MET 17 -3.675 -5.026 -1.733 150 H ALA 18 H ALA 18 -7.714 -9.213 3.139 151 HA ALA 18 HA ALA 18 -5.166 -10.190 3.424 152 1HB ALA 18 1HB ALA 18 -7.614 -9.975 4.975 153 2HB ALA 18 2HB ALA 18 -6.776 -11.502 5.339 154 3HB ALA 18 3HB ALA 18 -5.922 -9.951 5.528 155 H GLY 19 H GLY 19 -4.221 -11.870 2.382 156 1HA GLY 19 1HA GLY 19 -3.882 -14.104 1.980 157 2HA GLY 19 2HA GLY 19 -5.528 -14.464 2.462 158 H TYR 20 H TYR 20 -4.720 -11.863 0.142 159 HA TYR 20 HA TYR 20 -6.565 -12.544 -1.735 160 1HB TYR 20 1HB TYR 20 -4.838 -10.546 -1.405 161 2HB TYR 20 2HB TYR 20 -3.727 -11.533 -2.336 162 HD1 TYR 20 1HD TYR 20 -7.064 -9.873 -2.491 163 HD2 TYR 20 2HD TYR 20 -3.805 -11.547 -4.699 164 HE1 TYR 20 1HE TYR 20 -8.046 -8.956 -4.649 165 HE2 TYR 20 2HE TYR 20 -4.797 -10.624 -6.850 166 HH TYR 20 HH TYR 20 -6.504 -9.650 -7.768 167 H TYR 21 H TYR 21 -5.795 -13.061 -4.189 168 HA TYR 21 HA TYR 21 -5.590 -15.661 -4.545 169 1HB TYR 21 1HB TYR 21 -4.748 -13.171 -5.925 170 2HB TYR 21 2HB TYR 21 -3.743 -14.518 -6.419 171 HD1 TYR 21 1HD TYR 21 -7.163 -13.150 -6.426 172 HD2 TYR 21 2HD TYR 21 -4.650 -16.354 -7.734 173 HE1 TYR 21 1HE TYR 21 -8.964 -13.906 -8.053 174 HE2 TYR 21 2HE TYR 21 -6.459 -17.100 -9.358 175 HH TYR 21 HH TYR 21 -9.079 -16.837 -9.375 176 H GLY 22 H GLY 22 -2.665 -13.530 -4.203 177 1HA GLY 22 1HA GLY 22 -1.152 -15.959 -3.447 178 2HA GLY 22 2HA GLY 22 -0.491 -14.685 -4.450 179 H VAL 23 H VAL 23 -0.826 -12.333 -3.396 180 HA VAL 23 HA VAL 23 0.821 -12.120 -1.263 181 HB VAL 23 HB VAL 23 -1.524 -10.287 -1.771 182 1HG1 VAL 23 1HG1 VAL 23 1.242 -9.920 -0.600 183 2HG1 VAL 23 2HG1 VAL 23 0.257 -8.555 -1.178 184 3HG1 VAL 23 3HG1 VAL 23 -0.336 -9.581 0.151 185 1HG2 VAL 23 1HG2 VAL 23 -0.798 -10.244 -3.911 186 2HG2 VAL 23 2HG2 VAL 23 0.497 -9.215 -3.251 187 3HG2 VAL 23 3HG2 VAL 23 0.782 -10.954 -3.501 188 H SER 24 H SER 24 0.753 -12.699 0.845 189 HA SER 24 HA SER 24 -1.792 -13.580 1.860 190 1HB SER 24 1HB SER 24 0.786 -14.541 2.128 191 2HB SER 24 2HB SER 24 0.589 -13.678 3.640 192 HG SER 24 HG SER 24 -1.199 -15.712 2.604 193 H LEU 25 H LEU 25 -2.637 -12.827 3.963 194 HA LEU 25 HA LEU 25 -2.790 -10.124 4.218 195 1HB LEU 25 1HB LEU 25 -4.424 -11.262 5.323 196 2HB LEU 25 2HB LEU 25 -3.321 -12.448 5.993 197 HG LEU 25 HG LEU 25 -2.516 -10.814 7.636 198 1HD1 LEU 25 1HD1 LEU 25 -3.367 -8.619 7.858 199 2HD1 LEU 25 2HD1 LEU 25 -2.938 -8.813 6.142 200 3HD1 LEU 25 3HD1 LEU 25 -4.642 -8.905 6.649 201 1HD2 LEU 25 1HD2 LEU 25 -5.533 -10.826 7.737 202 2HD2 LEU 25 2HD2 LEU 25 -4.562 -12.294 7.996 203 3HD2 LEU 25 3HD2 LEU 25 -4.368 -10.897 9.081 204 H ALA 26 H ALA 26 -0.501 -12.380 5.876 205 HA ALA 26 HA ALA 26 0.731 -10.439 7.451 206 1HB ALA 26 1HB ALA 26 2.505 -12.119 7.685 207 2HB ALA 26 2HB ALA 26 0.905 -12.898 7.758 208 3HB ALA 26 3HB ALA 26 1.879 -13.001 6.271 209 H ASP 27 H ASP 27 1.359 -11.598 4.094 210 HA ASP 27 HA ASP 27 3.717 -10.214 3.743 211 1HB ASP 27 1HB ASP 27 1.528 -11.036 1.783 212 2HB ASP 27 2HB ASP 27 3.046 -10.337 1.254 213 H TRP 28 H TRP 28 0.249 -9.325 3.383 214 HA TRP 28 HA TRP 28 0.660 -6.882 2.051 215 1HB TRP 28 1HB TRP 28 -1.598 -8.065 3.642 216 2HB TRP 28 2HB TRP 28 -1.672 -6.413 3.062 217 HD1 TRP 28 HD TRP 28 -2.694 -9.741 1.976 218 HE1 TRP 28 1HE TRP 28 -3.172 -9.943 -0.612 219 HE3 TRP 28 3HE TRP 28 -0.398 -5.394 0.679 220 HZ2 TRP 28 2HZ TRP 28 -2.549 -8.300 -2.860 221 HZ3 TRP 28 3HZ TRP 28 -0.377 -4.766 -1.733 222 HH2 TRP 28 HH TRP 28 -1.403 -6.139 -3.476 223 H VAL 29 H VAL 29 -0.168 -7.613 5.525 224 HA VAL 29 HA VAL 29 0.157 -5.078 6.501 225 HB VAL 29 HB VAL 29 0.942 -7.615 7.939 226 1HG1 VAL 29 1HG1 VAL 29 -0.452 -6.132 9.725 227 2HG1 VAL 29 2HG1 VAL 29 1.314 -6.039 9.526 228 3HG1 VAL 29 3HG1 VAL 29 0.266 -4.837 8.738 229 1HG2 VAL 29 1HG2 VAL 29 -1.107 -8.422 7.573 230 2HG2 VAL 29 2HG2 VAL 29 -1.763 -7.039 8.479 231 3HG2 VAL 29 3HG2 VAL 29 -1.590 -6.942 6.710 232 H CYS 30 H CYS 30 2.657 -7.714 6.338 233 HA CYS 30 HA CYS 30 4.738 -6.285 7.371 234 1HB CYS 30 1HB CYS 30 6.085 -7.977 6.674 235 2HB CYS 30 2HB CYS 30 4.524 -8.768 6.589 236 H LEU 31 H LEU 31 3.612 -6.566 3.928 237 HA LEU 31 HA LEU 31 5.527 -5.050 2.714 238 1HB LEU 31 1HB LEU 31 3.810 -6.332 1.562 239 2HB LEU 31 2HB LEU 31 2.571 -5.222 2.114 240 HG LEU 31 HG LEU 31 3.082 -4.767 -0.191 241 1HD1 LEU 31 1HD1 LEU 31 3.311 -2.453 -0.096 242 2HD1 LEU 31 2HD1 LEU 31 2.698 -2.874 1.520 243 3HD1 LEU 31 3HD1 LEU 31 4.426 -2.515 1.289 244 1HD2 LEU 31 1HD2 LEU 31 5.733 -3.719 -0.098 245 2HD2 LEU 31 2HD2 LEU 31 5.758 -5.368 0.575 246 3HD2 LEU 31 3HD2 LEU 31 5.099 -5.080 -1.053 247 H ALA 32 H ALA 32 2.374 -3.854 4.076 248 HA ALA 32 HA ALA 32 3.080 -1.145 3.689 249 1HB ALA 32 1HB ALA 32 1.081 -0.827 5.268 250 2HB ALA 32 2HB ALA 32 0.769 -1.717 3.758 251 3HB ALA 32 3HB ALA 32 0.954 -2.602 5.291 252 H GLN 33 H GLN 33 3.913 -3.574 6.054 253 HA GLN 33 HA GLN 33 4.286 -1.872 8.233 254 1HB GLN 33 1HB GLN 33 4.171 -4.470 8.131 255 2HB GLN 33 2HB GLN 33 5.874 -4.412 7.723 256 1HG GLN 33 1HG GLN 33 4.617 -3.192 10.227 257 2HG GLN 33 2HG GLN 33 5.519 -4.694 10.176 258 1HE2 GLN 33 1HE2 GLN 33 5.795 -1.754 11.237 259 2HE2 GLN 33 2HE2 GLN 33 7.458 -1.368 10.946 260 H HIS 34 H HIS 34 6.604 -3.221 5.779 261 HA HIS 34 HA HIS 34 8.809 -1.826 6.785 262 1HB HIS 34 1HB HIS 34 8.583 -3.864 5.136 263 2HB HIS 34 2HB HIS 34 8.572 -2.622 3.900 264 HD1 HIS 34 1HD HIS 34 10.907 -4.162 3.426 265 HD2 HIS 34 2HD HIS 34 10.930 -1.350 6.539 266 HE1 HIS 34 1HE HIS 34 13.360 -3.674 3.931 267 HE2 HIS 34 2HE HIS 34 13.310 -1.900 5.815 268 H GLU 35 H GLU 35 6.011 -0.800 5.026 269 HA GLU 35 HA GLU 35 7.329 1.381 3.748 270 1HB GLU 35 1HB GLU 35 4.366 0.750 4.112 271 2HB GLU 35 2HB GLU 35 4.990 2.043 3.107 272 1HG GLU 35 1HG GLU 35 6.078 -0.734 2.656 273 2HG GLU 35 2HG GLU 35 4.449 -0.398 2.105 274 H SER 36 H SER 36 4.619 1.221 6.181 275 HA SER 36 HA SER 36 5.953 3.050 7.865 276 1HB SER 36 1HB SER 36 4.418 4.937 7.685 277 2HB SER 36 2HB SER 36 5.117 4.619 6.110 278 HG SER 36 HG SER 36 2.896 4.902 5.799 279 H ASN 37 H ASN 37 2.502 2.315 6.944 280 HA ASN 37 HA ASN 37 0.947 1.190 7.982 281 1HB ASN 37 1HB ASN 37 3.033 -0.258 8.827 282 2HB ASN 37 2HB ASN 37 2.711 0.520 10.363 283 1HD2 ASN 37 1HD2 ASN 37 1.184 -0.246 11.640 284 2HD2 ASN 37 2HD2 ASN 37 0.003 -1.445 11.233 285 H TYR 38 H TYR 38 -0.300 1.253 10.272 286 HA TYR 38 HA TYR 38 -1.140 2.416 11.968 287 1HB TYR 38 1HB TYR 38 1.327 4.228 11.856 288 2HB TYR 38 2HB TYR 38 0.423 3.752 13.280 289 HD1 TYR 38 1HD TYR 38 0.449 1.127 13.784 290 HD2 TYR 38 2HD TYR 38 3.372 3.200 11.445 291 HE1 TYR 38 1HE TYR 38 2.127 -0.733 14.217 292 HE2 TYR 38 2HE TYR 38 5.039 1.332 11.887 293 HH TYR 38 HH TYR 38 5.380 -0.596 12.789 294 H ASN 39 H ASN 39 0.798 4.750 9.952 295 HA ASN 39 HA ASN 39 -1.711 6.114 9.438 296 1HB ASN 39 1HB ASN 39 0.180 8.189 9.545 297 2HB ASN 39 2HB ASN 39 -1.031 7.853 10.766 298 1HD2 ASN 39 1HD2 ASN 39 -0.091 8.107 12.650 299 2HD2 ASN 39 2HD2 ASN 39 1.394 7.390 13.181 300 H THR 40 H THR 40 -1.862 6.709 7.239 301 HA THR 40 HA THR 40 0.274 5.883 5.507 302 HB THR 40 HB THR 40 -1.379 6.246 3.786 303 HG1 THR 40 1HG THR 40 -2.712 7.801 5.891 304 1HG2 THR 40 1HG2 THR 40 -2.840 4.675 4.565 305 2HG2 THR 40 2HG2 THR 40 -2.168 4.900 6.198 306 3HG2 THR 40 3HG2 THR 40 -3.561 5.873 5.668 307 H ARG 41 H ARG 41 1.562 7.630 7.022 308 HA ARG 41 HA ARG 41 1.291 10.254 5.976 309 1HB ARG 41 1HB ARG 41 2.037 9.770 8.333 310 2HB ARG 41 2HB ARG 41 3.498 9.030 7.710 311 1HG ARG 41 1HG ARG 41 3.260 11.618 6.473 312 2HG ARG 41 2HG ARG 41 2.962 11.834 8.187 313 1HD ARG 41 1HD ARG 41 5.235 11.849 8.411 314 2HD ARG 41 2HD ARG 41 5.141 10.110 8.220 315 HE ARG 41 HE ARG 41 5.189 10.975 5.608 316 1HH1 ARG 41 2HH2 ARG 41 7.223 11.679 8.392 317 2HH1 ARG 41 1HH2 ARG 41 8.643 11.965 7.444 318 1HH2 ARG 41 2HH1 ARG 41 7.063 11.352 4.356 319 2HH2 ARG 41 1HH1 ARG 41 8.551 11.778 5.132 320 H ALA 42 H ALA 42 2.616 7.386 4.790 321 HA ALA 42 HA ALA 42 5.107 8.031 3.840 322 1HB ALA 42 1HB ALA 42 2.870 6.216 2.993 323 2HB ALA 42 2HB ALA 42 4.240 6.443 1.880 324 3HB ALA 42 3HB ALA 42 4.522 5.817 3.522 325 H THR 43 H THR 43 5.591 9.986 2.922 326 HA THR 43 HA THR 43 4.274 10.588 0.404 327 HB THR 43 HB THR 43 4.063 13.050 1.340 328 HG1 THR 43 1HG THR 43 3.939 11.325 3.711 329 1HG2 THR 43 1HG2 THR 43 1.810 12.667 1.693 330 2HG2 THR 43 2HG2 THR 43 2.190 11.028 1.110 331 3HG2 THR 43 3HG2 THR 43 2.125 11.358 2.858 332 H ASN 44 H ASN 44 5.769 11.053 -1.078 333 HA ASN 44 HA ASN 44 8.077 12.538 -0.224 334 1HB ASN 44 1HB ASN 44 8.215 9.713 -0.479 335 2HB ASN 44 2HB ASN 44 8.899 10.313 -1.977 336 1HD2 ASN 44 1HD2 ASN 44 10.960 10.756 -1.983 337 2HD2 ASN 44 2HD2 ASN 44 11.956 11.151 -0.621 338 H TYR 45 H TYR 45 7.657 14.237 -1.691 339 HA TYR 45 HA TYR 45 6.786 13.591 -4.379 340 1HB TYR 45 1HB TYR 45 6.216 15.569 -2.573 341 2HB TYR 45 2HB TYR 45 7.604 16.330 -3.326 342 HD1 TYR 45 1HD TYR 45 4.087 15.547 -3.642 343 HD2 TYR 45 2HD TYR 45 7.551 16.803 -5.817 344 HE1 TYR 45 1HE TYR 45 2.606 16.403 -5.523 345 HE2 TYR 45 2HE TYR 45 6.058 17.654 -7.690 346 HH TYR 45 HH TYR 45 3.743 18.450 -7.923 347 H ASN 46 H ASN 46 7.891 14.423 -6.300 348 HA ASN 46 HA ASN 46 10.556 15.354 -5.966 349 1HB ASN 46 1HB ASN 46 9.990 12.579 -7.125 350 2HB ASN 46 2HB ASN 46 11.482 13.441 -7.444 351 1HD2 ASN 46 1HD2 ASN 46 12.784 14.123 -5.618 352 2HD2 ASN 46 2HD2 ASN 46 12.834 13.162 -4.178 353 H ARG 47 H ARG 47 10.240 17.076 -7.415 354 HA ARG 47 HA ARG 47 8.575 16.742 -9.670 355 1HB ARG 47 1HB ARG 47 9.238 18.903 -8.206 356 2HB ARG 47 2HB ARG 47 10.501 19.060 -9.412 357 1HG ARG 47 1HG ARG 47 8.347 18.589 -11.046 358 2HG ARG 47 2HG ARG 47 7.540 19.382 -9.707 359 1HD ARG 47 1HD ARG 47 8.315 21.406 -10.385 360 2HD ARG 47 2HD ARG 47 9.971 20.845 -10.281 361 HE ARG 47 HE ARG 47 8.333 21.015 -12.706 362 1HH1 ARG 47 2HH2 ARG 47 11.137 19.494 -11.221 363 2HH1 ARG 47 1HH2 ARG 47 11.896 19.125 -12.734 364 1HH2 ARG 47 2HH1 ARG 47 9.334 20.528 -14.701 365 2HH2 ARG 47 1HH1 ARG 47 10.864 19.717 -14.726 366 H GLY 48 H GLY 48 12.082 16.717 -8.973 367 1HA GLY 48 1HA GLY 48 13.354 17.149 -11.272 368 2HA GLY 48 2HA GLY 48 13.755 15.808 -10.218 369 H ASP 49 H ASP 49 11.327 14.247 -10.545 370 HA ASP 49 HA ASP 49 11.556 13.604 -13.380 371 1HB ASP 49 1HB ASP 49 12.715 11.925 -11.949 372 2HB ASP 49 2HB ASP 49 11.255 11.702 -11.008 373 H GLN 50 H GLN 50 9.604 15.364 -12.023 374 HA GLN 50 HA GLN 50 7.464 15.534 -11.444 375 1HB GLN 50 1HB GLN 50 6.003 15.220 -13.407 376 2HB GLN 50 2HB GLN 50 7.547 15.896 -13.886 377 1HG GLN 50 1HG GLN 50 8.348 13.642 -14.570 378 2HG GLN 50 2HG GLN 50 6.842 12.926 -14.031 379 1HE2 GLN 50 1HE2 GLN 50 6.717 12.139 -16.215 380 2HE2 GLN 50 2HE2 GLN 50 6.053 13.127 -17.473 381 H SER 51 H SER 51 8.393 13.344 -10.019 382 HA SER 51 HA SER 51 6.073 11.599 -10.189 383 1HB SER 51 1HB SER 51 8.965 10.733 -9.756 384 2HB SER 51 2HB SER 51 7.586 9.681 -9.505 385 HG SER 51 HG SER 51 8.085 9.227 -11.587 386 H THR 52 H THR 52 5.350 10.759 -8.111 387 HA THR 52 HA THR 52 6.764 11.784 -5.766 388 HB THR 52 HB THR 52 3.928 12.463 -6.659 389 HG1 THR 52 1HG THR 52 5.846 13.855 -7.075 390 1HG2 THR 52 1HG2 THR 52 3.642 11.769 -4.327 391 2HG2 THR 52 2HG2 THR 52 5.155 12.580 -3.856 392 3HG2 THR 52 3HG2 THR 52 3.743 13.546 -4.349 393 H ASP 53 H ASP 53 6.805 10.388 -4.085 394 HA ASP 53 HA ASP 53 5.310 7.940 -4.533 395 1HB ASP 53 1HB ASP 53 7.585 8.449 -2.563 396 2HB ASP 53 2HB ASP 53 6.927 6.888 -3.014 397 H TYR 54 H TYR 54 3.275 8.404 -3.540 398 HA TYR 54 HA TYR 54 3.422 9.084 -0.682 399 1HB TYR 54 1HB TYR 54 1.802 10.086 -3.052 400 2HB TYR 54 2HB TYR 54 0.960 9.981 -1.519 401 HD1 TYR 54 1HD TYR 54 0.761 12.039 -0.482 402 HD2 TYR 54 2HD TYR 54 4.386 11.131 -2.565 403 HE1 TYR 54 1HE TYR 54 1.722 14.293 0.194 404 HE2 TYR 54 2HE TYR 54 5.334 13.389 -1.883 405 HH TYR 54 HH TYR 54 3.622 15.456 0.374 406 H GLY 55 H GLY 55 1.531 8.299 0.594 407 1HA GLY 55 1HA GLY 55 -0.387 6.907 0.728 408 2HA GLY 55 2HA GLY 55 0.180 5.995 -0.657 409 H ILE 56 H ILE 56 -0.528 5.168 2.196 410 HA ILE 56 HA ILE 56 1.688 4.578 3.695 411 HB ILE 56 HB ILE 56 -0.825 4.288 4.152 412 1HG1 ILE 56 1HG1 ILE 56 1.242 2.306 5.146 413 2HG1 ILE 56 2HG1 ILE 56 0.891 3.886 5.818 414 1HG2 ILE 56 1HG2 ILE 56 -0.911 2.558 2.179 415 2HG2 ILE 56 2HG2 ILE 56 -0.391 1.411 3.437 416 3HG2 ILE 56 3HG2 ILE 56 -1.905 2.327 3.638 417 1HD1 ILE 56 1HD1 ILE 56 -1.580 2.370 5.610 418 2HD1 ILE 56 2HD1 ILE 56 -0.355 1.415 6.477 419 3HD1 ILE 56 3HD1 ILE 56 -0.798 3.036 7.063 420 H PHE 57 H PHE 57 0.439 3.013 0.738 421 HA PHE 57 HA PHE 57 2.398 0.896 0.983 422 1HB PHE 57 1HB PHE 57 0.070 1.700 -0.808 423 2HB PHE 57 2HB PHE 57 1.233 0.558 -1.451 424 HD1 PHE 57 1HD PHE 57 1.504 -1.661 -0.399 425 HD2 PHE 57 2HD PHE 57 -1.489 1.054 0.897 426 HE1 PHE 57 1HE PHE 57 0.311 -3.534 0.772 427 HE2 PHE 57 2HE PHE 57 -2.682 -0.820 2.067 428 HZ PHE 57 HZ PHE 57 -1.768 -3.091 1.990 429 H GLN 58 H GLN 58 3.059 3.899 0.544 430 HA GLN 58 HA GLN 58 4.268 5.170 -0.773 431 1HB GLN 58 1HB GLN 58 5.844 3.361 0.286 432 2HB GLN 58 2HB GLN 58 5.970 2.723 -1.342 433 1HG GLN 58 1HG GLN 58 7.702 4.224 -1.514 434 2HG GLN 58 2HG GLN 58 6.417 5.358 -1.882 435 1HE2 GLN 58 1HE2 GLN 58 6.055 7.036 -0.598 436 2HE2 GLN 58 2HE2 GLN 58 6.822 7.345 0.924 437 H ILE 59 H ILE 59 2.362 5.174 -2.359 438 HA ILE 59 HA ILE 59 2.951 3.689 -4.797 439 HB ILE 59 HB ILE 59 0.547 5.075 -3.674 440 1HG1 ILE 59 1HG1 ILE 59 0.806 2.364 -4.992 441 2HG1 ILE 59 2HG1 ILE 59 1.118 2.620 -3.287 442 1HG2 ILE 59 1HG2 ILE 59 -0.478 4.450 -6.010 443 2HG2 ILE 59 2HG2 ILE 59 0.339 6.010 -5.760 444 3HG2 ILE 59 3HG2 ILE 59 1.196 4.677 -6.571 445 1HD1 ILE 59 1HD1 ILE 59 -1.326 1.965 -4.186 446 2HD1 ILE 59 2HD1 ILE 59 -1.111 3.045 -2.787 447 3HD1 ILE 59 3HD1 ILE 59 -1.450 3.728 -4.395 448 H ASN 60 H ASN 60 3.448 4.681 -6.766 449 HA ASN 60 HA ASN 60 4.570 7.288 -6.452 450 1HB ASN 60 1HB ASN 60 5.139 6.865 -8.975 451 2HB ASN 60 2HB ASN 60 5.914 5.838 -7.785 452 1HD2 ASN 60 1HD2 ASN 60 5.547 3.706 -7.750 453 2HD2 ASN 60 2HD2 ASN 60 4.505 2.846 -8.834 454 H SER 61 H SER 61 3.641 9.209 -7.267 455 HA SER 61 HA SER 61 0.993 8.926 -8.359 456 1HB SER 61 1HB SER 61 2.501 11.480 -7.656 457 2HB SER 61 2HB SER 61 0.776 11.324 -7.927 458 HG SER 61 HG SER 61 2.346 10.369 -5.713 459 H ARG 62 H ARG 62 3.827 8.517 -9.755 460 HA ARG 62 HA ARG 62 3.615 10.508 -11.805 461 1HB ARG 62 1HB ARG 62 5.717 9.585 -12.644 462 2HB ARG 62 2HB ARG 62 5.845 9.724 -10.901 463 1HG ARG 62 1HG ARG 62 6.237 7.500 -10.719 464 2HG ARG 62 2HG ARG 62 4.702 7.142 -11.485 465 1HD ARG 62 1HD ARG 62 5.655 6.813 -13.577 466 2HD ARG 62 2HD ARG 62 6.888 8.033 -13.331 467 HE ARG 62 HE ARG 62 7.253 5.727 -11.579 468 1HH1 ARG 62 2HH2 ARG 62 7.860 6.976 -14.812 469 2HH1 ARG 62 1HH2 ARG 62 9.219 5.940 -15.096 470 1HH2 ARG 62 2HH1 ARG 62 9.046 4.361 -11.953 471 2HH2 ARG 62 1HH1 ARG 62 9.899 4.443 -13.458 472 H TYR 63 H TYR 63 2.526 7.272 -11.110 473 HA TYR 63 HA TYR 63 1.734 6.959 -13.927 474 1HB TYR 63 1HB TYR 63 3.329 5.325 -12.072 475 2HB TYR 63 2HB TYR 63 1.863 4.452 -12.470 476 HD1 TYR 63 1HD TYR 63 1.289 4.644 -15.159 477 HD2 TYR 63 2HD TYR 63 5.172 4.818 -13.373 478 HE1 TYR 63 1HE TYR 63 2.339 3.891 -17.350 479 HE2 TYR 63 2HE TYR 63 6.209 4.065 -15.569 480 HH TYR 63 HH TYR 63 4.184 3.566 -18.439 481 H TRP 64 H TRP 64 1.068 5.831 -10.531 482 HA TRP 64 HA TRP 64 -1.739 5.548 -11.285 483 1HB TRP 64 1HB TRP 64 -0.670 4.783 -8.605 484 2HB TRP 64 2HB TRP 64 -1.981 4.083 -9.535 485 HD1 TRP 64 HD TRP 64 0.783 2.573 -8.305 486 HE1 TRP 64 1HE TRP 64 2.151 0.945 -9.868 487 HE3 TRP 64 3HE TRP 64 -1.034 4.404 -12.687 488 HZ2 TRP 64 2HZ TRP 64 2.317 0.614 -12.698 489 HZ3 TRP 64 3HZ TRP 64 -0.217 3.373 -14.804 490 HH2 TRP 64 HH TRP 64 1.400 1.541 -14.856 491 H CYS 65 H CYS 65 -3.377 6.439 -9.696 492 HA CYS 65 HA CYS 65 -4.276 8.143 -8.647 493 1HB CYS 65 1HB CYS 65 -3.454 8.641 -6.618 494 2HB CYS 65 2HB CYS 65 -2.370 7.312 -6.981 495 H ASN 66 H ASN 66 -4.289 10.609 -8.513 496 HA ASN 66 HA ASN 66 -2.341 11.790 -10.305 497 1HB ASN 66 1HB ASN 66 -4.775 11.149 -11.314 498 2HB ASN 66 2HB ASN 66 -5.224 12.664 -10.557 499 1HD2 ASN 66 1HD2 ASN 66 -2.301 11.491 -12.227 500 2HD2 ASN 66 2HD2 ASN 66 -2.197 12.758 -13.404 501 H ASP 67 H ASP 67 -3.629 14.396 -10.367 502 HA ASP 67 HA ASP 67 -3.956 15.005 -7.546 503 1HB ASP 67 1HB ASP 67 -1.720 15.693 -7.813 504 2HB ASP 67 2HB ASP 67 -1.946 16.134 -9.494 505 H GLY 68 H GLY 68 -3.957 16.255 -10.968 506 1HA GLY 68 1HA GLY 68 -6.043 16.955 -11.934 507 2HA GLY 68 2HA GLY 68 -6.511 17.625 -10.384 508 H LYS 69 H LYS 69 -3.257 18.270 -10.526 509 HA LYS 69 HA LYS 69 -3.745 20.857 -11.832 510 1HB LYS 69 1HB LYS 69 -3.262 20.584 -9.228 511 2HB LYS 69 2HB LYS 69 -1.599 20.507 -9.777 512 1HG LYS 69 1HG LYS 69 -1.782 22.669 -10.894 513 2HG LYS 69 2HG LYS 69 -3.516 22.715 -10.645 514 1HD LYS 69 1HD LYS 69 -3.297 23.067 -8.291 515 2HD LYS 69 2HD LYS 69 -1.634 22.515 -8.270 516 1HE LYS 69 1HE LYS 69 -0.802 24.560 -8.922 517 2HE LYS 69 2HE LYS 69 -2.102 24.842 -10.062 518 1HZ LYS 69 1HZ LYS 69 -3.044 24.865 -7.402 519 2HZ LYS 69 2HZ LYS 69 -1.849 25.961 -7.607 520 3HZ LYS 69 3HZ LYS 69 -3.178 26.015 -8.555 521 H THR 70 H THR 70 -2.116 17.844 -11.970 522 HA THR 70 HA THR 70 -0.165 19.004 -13.849 523 HB THR 70 HB THR 70 0.101 16.788 -11.763 524 HG1 THR 70 1HG THR 70 1.844 18.281 -11.191 525 1HG2 THR 70 1HG2 THR 70 2.520 17.437 -13.292 526 2HG2 THR 70 2HG2 THR 70 1.833 15.839 -12.917 527 3HG2 THR 70 3HG2 THR 70 1.271 16.734 -14.349 528 HA PRO 71 HA PRO 71 -2.744 16.306 -16.265 529 1HB PRO 71 1HB PRO 71 -2.843 17.886 -18.493 530 2HB PRO 71 2HB PRO 71 -4.041 17.955 -17.216 531 1HG PRO 71 1HG PRO 71 -1.856 19.854 -17.814 532 2HG PRO 71 2HG PRO 71 -3.293 20.104 -16.842 533 1HD PRO 71 1HD PRO 71 -0.628 19.651 -15.882 534 2HD PRO 71 2HD PRO 71 -2.082 19.785 -14.913 535 H ARG 72 H ARG 72 -0.321 15.452 -15.744 536 HA ARG 72 HA ARG 72 0.641 14.972 -18.442 537 1HB ARG 72 1HB ARG 72 2.045 16.344 -16.320 538 2HB ARG 72 2HB ARG 72 2.852 14.811 -16.582 539 1HG ARG 72 1HG ARG 72 3.555 15.376 -18.709 540 2HG ARG 72 2HG ARG 72 2.097 16.278 -19.072 541 1HD ARG 72 1HD ARG 72 3.117 18.237 -18.544 542 2HD ARG 72 2HD ARG 72 3.511 17.647 -16.941 543 HE ARG 72 HE ARG 72 5.285 16.502 -18.929 544 1HH1 ARG 72 2HH2 ARG 72 4.681 19.423 -17.063 545 2HH1 ARG 72 1HH2 ARG 72 6.328 19.955 -17.124 546 1HH2 ARG 72 2HH1 ARG 72 7.459 17.202 -19.009 547 2HH2 ARG 72 1HH1 ARG 72 7.919 18.683 -18.237 548 H ALA 73 H ALA 73 0.779 13.989 -14.947 549 HA ALA 73 HA ALA 73 1.858 11.519 -15.147 550 1HB ALA 73 1HB ALA 73 1.158 11.329 -12.993 551 2HB ALA 73 2HB ALA 73 0.609 13.008 -13.207 552 3HB ALA 73 3HB ALA 73 -0.539 11.663 -13.413 553 H VAL 74 H VAL 74 0.660 9.327 -14.939 554 HA VAL 74 HA VAL 74 -1.538 9.302 -16.892 555 HB VAL 74 HB VAL 74 0.592 8.478 -17.807 556 1HG1 VAL 74 1HG1 VAL 74 1.820 7.610 -16.020 557 2HG1 VAL 74 2HG1 VAL 74 0.456 6.634 -15.425 558 3HG1 VAL 74 3HG1 VAL 74 1.315 6.152 -16.908 559 1HG2 VAL 74 1HG2 VAL 74 -1.825 6.754 -17.509 560 2HG2 VAL 74 2HG2 VAL 74 -1.090 7.461 -18.968 561 3HG2 VAL 74 3HG2 VAL 74 -0.372 6.011 -18.224 562 H ASN 75 H ASN 75 -2.169 9.718 -14.247 563 HA ASN 75 HA ASN 75 -2.316 7.753 -12.499 564 1HB ASN 75 1HB ASN 75 -4.637 8.652 -11.887 565 2HB ASN 75 2HB ASN 75 -3.395 9.880 -12.037 566 1HD2 ASN 75 1HD2 ASN 75 -6.325 9.987 -12.330 567 2HD2 ASN 75 2HD2 ASN 75 -6.651 10.672 -13.888 568 H ALA 76 H ALA 76 -2.499 5.585 -13.274 569 HA ALA 76 HA ALA 76 -4.621 4.931 -15.121 570 1HB ALA 76 1HB ALA 76 -3.059 3.419 -15.693 571 2HB ALA 76 2HB ALA 76 -2.077 3.833 -14.268 572 3HB ALA 76 3HB ALA 76 -3.350 2.596 -14.142 573 H CYS 77 H CYS 77 -4.332 5.436 -11.780 574 HA CYS 77 HA CYS 77 -6.155 3.313 -11.061 575 1HB CYS 77 1HB CYS 77 -4.131 4.287 -9.689 576 2HB CYS 77 2HB CYS 77 -5.305 5.486 -9.183 577 H GLY 78 H GLY 78 -6.030 6.791 -11.798 578 1HA GLY 78 1HA GLY 78 -7.657 8.302 -12.147 579 2HA GLY 78 2HA GLY 78 -8.805 6.980 -12.229 580 H ILE 79 H ILE 79 -6.674 8.252 -9.567 581 HA ILE 79 HA ILE 79 -9.020 9.078 -8.100 582 HB ILE 79 HB ILE 79 -8.989 7.578 -6.423 583 1HG1 ILE 79 1HG1 ILE 79 -6.655 8.099 -5.765 584 2HG1 ILE 79 2HG1 ILE 79 -7.086 6.415 -5.536 585 1HG2 ILE 79 1HG2 ILE 79 -7.795 5.973 -8.698 586 2HG2 ILE 79 2HG2 ILE 79 -8.591 5.282 -7.265 587 3HG2 ILE 79 3HG2 ILE 79 -9.520 6.293 -8.398 588 1HD1 ILE 79 1HD1 ILE 79 -5.644 5.672 -7.174 589 2HD1 ILE 79 2HD1 ILE 79 -5.909 7.101 -8.201 590 3HD1 ILE 79 3HD1 ILE 79 -4.814 7.202 -6.802 591 H ASN 80 H ASN 80 -8.574 10.844 -6.830 592 HA ASN 80 HA ASN 80 -6.166 12.132 -7.241 593 1HB ASN 80 1HB ASN 80 -8.679 12.627 -5.876 594 2HB ASN 80 2HB ASN 80 -7.378 13.083 -4.793 595 1HD2 ASN 80 1HD2 ASN 80 -5.859 14.644 -5.419 596 2HD2 ASN 80 2HD2 ASN 80 -6.189 15.814 -6.654 597 H CYS 81 H CYS 81 -4.177 11.730 -6.260 598 HA CYS 81 HA CYS 81 -3.684 9.764 -4.488 599 1HB CYS 81 1HB CYS 81 -2.248 11.977 -5.599 600 2HB CYS 81 2HB CYS 81 -1.841 11.850 -3.899 601 H SER 82 H SER 82 -5.067 12.966 -3.929 602 HA SER 82 HA SER 82 -4.463 13.340 -1.296 603 1HB SER 82 1HB SER 82 -6.740 14.151 -3.088 604 2HB SER 82 2HB SER 82 -6.929 14.425 -1.367 605 HG SER 82 HG SER 82 -4.560 15.277 -2.778 606 H ALA 83 H ALA 83 -6.897 11.223 -2.848 607 HA ALA 83 HA ALA 83 -8.408 10.652 -0.569 608 1HB ALA 83 1HB ALA 83 -7.974 8.571 -2.679 609 2HB ALA 83 2HB ALA 83 -9.487 9.161 -1.952 610 3HB ALA 83 3HB ALA 83 -8.656 10.134 -3.189 611 H LEU 84 H LEU 84 -5.154 9.828 -1.477 612 HA LEU 84 HA LEU 84 -5.155 7.639 0.477 613 1HB LEU 84 1HB LEU 84 -3.021 8.249 -1.560 614 2HB LEU 84 2HB LEU 84 -3.221 6.794 -0.604 615 HG LEU 84 HG LEU 84 -5.607 7.186 -2.143 616 1HD1 LEU 84 1HD1 LEU 84 -4.044 6.688 -4.350 617 2HD1 LEU 84 2HD1 LEU 84 -4.851 8.228 -3.969 618 3HD1 LEU 84 3HD1 LEU 84 -3.146 7.983 -3.521 619 1HD2 LEU 84 1HD2 LEU 84 -4.678 4.998 -3.205 620 2HD2 LEU 84 2HD2 LEU 84 -3.428 5.128 -1.945 621 3HD2 LEU 84 3HD2 LEU 84 -5.145 5.018 -1.487 622 H LEU 85 H LEU 85 -5.129 10.717 0.835 623 HA LEU 85 HA LEU 85 -2.491 11.059 2.000 624 1HB LEU 85 1HB LEU 85 -3.848 12.756 0.563 625 2HB LEU 85 2HB LEU 85 -4.700 13.085 2.058 626 HG LEU 85 HG LEU 85 -3.005 14.722 1.866 627 1HD1 LEU 85 1HD1 LEU 85 -2.000 14.571 3.923 628 2HD1 LEU 85 2HD1 LEU 85 -3.280 13.346 4.089 629 3HD1 LEU 85 3HD1 LEU 85 -1.610 12.845 3.736 630 1HD2 LEU 85 1HD2 LEU 85 -1.311 12.451 0.939 631 2HD2 LEU 85 2HD2 LEU 85 -1.448 14.114 0.320 632 3HD2 LEU 85 3HD2 LEU 85 -0.516 13.790 1.801 633 H GLN 86 H GLN 86 -5.803 11.934 3.190 634 HA GLN 86 HA GLN 86 -5.258 10.367 5.553 635 1HB GLN 86 1HB GLN 86 -5.798 12.242 7.073 636 2HB GLN 86 2HB GLN 86 -4.374 12.599 6.115 637 1HG GLN 86 1HG GLN 86 -5.504 14.169 4.762 638 2HG GLN 86 2HG GLN 86 -7.078 13.462 5.068 639 1HE2 GLN 86 1HE2 GLN 86 -5.169 16.033 5.678 640 2HE2 GLN 86 2HE2 GLN 86 -5.820 16.606 7.177 641 H ASP 87 H ASP 87 -7.056 10.065 3.252 642 HA ASP 87 HA ASP 87 -9.620 10.863 4.264 643 1HB ASP 87 1HB ASP 87 -8.639 10.562 1.732 644 2HB ASP 87 2HB ASP 87 -9.364 8.980 1.941 645 H ASP 88 H ASP 88 -8.224 7.755 2.946 646 HA ASP 88 HA ASP 88 -8.879 6.333 5.281 647 1HB ASP 88 1HB ASP 88 -10.779 6.334 2.967 648 2HB ASP 88 2HB ASP 88 -10.395 4.755 3.622 649 H ILE 89 H ILE 89 -8.789 3.736 4.491 650 HA ILE 89 HA ILE 89 -6.383 3.630 2.838 651 HB ILE 89 HB ILE 89 -5.787 1.709 3.968 652 1HG1 ILE 89 1HG1 ILE 89 -8.588 1.376 5.071 653 2HG1 ILE 89 2HG1 ILE 89 -8.023 0.588 3.612 654 1HG2 ILE 89 1HG2 ILE 89 -5.701 2.317 6.218 655 2HG2 ILE 89 2HG2 ILE 89 -5.935 3.864 5.368 656 3HG2 ILE 89 3HG2 ILE 89 -7.310 3.076 6.177 657 1HD1 ILE 89 1HD1 ILE 89 -6.824 0.288 6.403 658 2HD1 ILE 89 2HD1 ILE 89 -7.744 -0.940 5.502 659 3HD1 ILE 89 3HD1 ILE 89 -6.135 -0.437 4.931 660 H THR 90 H THR 90 -9.794 3.041 2.798 661 HA THR 90 HA THR 90 -10.109 0.827 1.247 662 HB THR 90 HB THR 90 -11.552 3.318 1.873 663 HG1 THR 90 1HG THR 90 -12.606 1.526 2.633 664 1HG2 THR 90 1HG2 THR 90 -11.634 3.585 -0.607 665 2HG2 THR 90 2HG2 THR 90 -12.122 1.880 -0.773 666 3HG2 THR 90 3HG2 THR 90 -13.212 3.047 0.015 667 H ALA 91 H ALA 91 -9.166 4.128 0.137 668 HA ALA 91 HA ALA 91 -9.157 3.414 -2.592 669 1HB ALA 91 1HB ALA 91 -8.246 5.689 -0.878 670 2HB ALA 91 2HB ALA 91 -7.510 5.544 -2.492 671 3HB ALA 91 3HB ALA 91 -9.276 5.692 -2.330 672 H ALA 92 H ALA 92 -6.755 3.285 0.064 673 HA ALA 92 HA ALA 92 -4.516 2.806 -1.552 674 1HB ALA 92 1HB ALA 92 -4.422 1.492 1.049 675 2HB ALA 92 2HB ALA 92 -3.507 2.900 0.458 676 3HB ALA 92 3HB ALA 92 -5.119 3.124 1.178 677 H ILE 93 H ILE 93 -7.072 0.697 -0.177 678 HA ILE 93 HA ILE 93 -5.744 -1.712 -0.894 679 HB ILE 93 HB ILE 93 -8.640 -1.179 -0.221 680 1HG1 ILE 93 1HG1 ILE 93 -6.272 -1.874 1.537 681 2HG1 ILE 93 2HG1 ILE 93 -7.226 -0.404 1.577 682 1HG2 ILE 93 1HG2 ILE 93 -8.701 -3.281 -1.159 683 2HG2 ILE 93 2HG2 ILE 93 -7.048 -3.686 -0.638 684 3HG2 ILE 93 3HG2 ILE 93 -8.376 -3.665 0.547 685 1HD1 ILE 93 1HD1 ILE 93 -7.965 -3.175 2.508 686 2HD1 ILE 93 2HD1 ILE 93 -8.223 -1.607 3.309 687 3HD1 ILE 93 3HD1 ILE 93 -9.260 -2.090 1.946 688 H GLN 94 H GLN 94 -8.542 0.142 -2.281 689 HA GLN 94 HA GLN 94 -8.964 -1.518 -4.410 690 1HB GLN 94 1HB GLN 94 -10.333 0.512 -3.569 691 2HB GLN 94 2HB GLN 94 -9.266 1.506 -4.542 692 1HG GLN 94 1HG GLN 94 -10.214 0.822 -6.517 693 2HG GLN 94 2HG GLN 94 -10.332 -0.849 -6.000 694 1HE2 GLN 94 1HE2 GLN 94 -12.408 -0.691 -7.097 695 2HE2 GLN 94 2HE2 GLN 94 -13.800 -0.125 -6.233 696 H CYS 95 H CYS 95 -6.758 1.337 -4.117 697 HA CYS 95 HA CYS 95 -5.883 1.186 -6.788 698 1HB CYS 95 1HB CYS 95 -5.723 3.073 -4.901 699 2HB CYS 95 2HB CYS 95 -4.134 2.367 -4.683 700 H ALA 96 H ALA 96 -4.760 -0.118 -3.618 701 HA ALA 96 HA ALA 96 -2.296 -1.073 -4.347 702 1HB ALA 96 1HB ALA 96 -2.944 -2.903 -2.571 703 2HB ALA 96 2HB ALA 96 -2.817 -1.199 -2.075 704 3HB ALA 96 3HB ALA 96 -4.416 -1.920 -2.375 705 H LYS 97 H LYS 97 -5.543 -2.642 -4.692 706 HA LYS 97 HA LYS 97 -4.445 -4.959 -5.914 707 1HB LYS 97 1HB LYS 97 -6.796 -5.548 -6.320 708 2HB LYS 97 2HB LYS 97 -6.512 -5.073 -4.657 709 1HG LYS 97 1HG LYS 97 -7.497 -2.890 -5.005 710 2HG LYS 97 2HG LYS 97 -7.488 -3.082 -6.747 711 1HD LYS 97 1HD LYS 97 -9.708 -3.619 -6.330 712 2HD LYS 97 2HD LYS 97 -9.007 -5.219 -6.201 713 1HE LYS 97 1HE LYS 97 -9.409 -5.355 -3.948 714 2HE LYS 97 2HE LYS 97 -8.892 -3.705 -3.657 715 1HZ LYS 97 1HZ LYS 97 -11.033 -3.278 -3.434 716 2HZ LYS 97 2HZ LYS 97 -11.190 -3.438 -5.051 717 3HZ LYS 97 3HZ LYS 97 -11.506 -4.706 -4.070 718 H ARG 98 H ARG 98 -5.985 -1.913 -7.077 719 HA ARG 98 HA ARG 98 -6.078 -2.673 -9.730 720 1HB ARG 98 1HB ARG 98 -7.267 -0.694 -8.694 721 2HB ARG 98 2HB ARG 98 -5.732 0.143 -8.580 722 1HG ARG 98 1HG ARG 98 -5.711 0.673 -10.807 723 2HG ARG 98 2HG ARG 98 -6.243 -0.925 -11.291 724 1HD ARG 98 1HD ARG 98 -8.561 -0.049 -10.168 725 2HD ARG 98 2HD ARG 98 -7.887 1.503 -10.623 726 HE ARG 98 HE ARG 98 -7.657 -0.368 -12.815 727 1HH1 ARG 98 2HH2 ARG 98 -9.985 1.660 -11.127 728 2HH1 ARG 98 1HH2 ARG 98 -11.025 1.832 -12.502 729 1HH2 ARG 98 2HH1 ARG 98 -9.029 -0.142 -14.629 730 2HH2 ARG 98 1HH1 ARG 98 -10.476 0.800 -14.507 731 H VAL 99 H VAL 99 -3.429 -1.736 -7.649 732 HA VAL 99 HA VAL 99 -1.738 -0.935 -9.863 733 HB VAL 99 HB VAL 99 -1.449 -1.053 -6.869 734 1HG1 VAL 99 1HG1 VAL 99 0.669 -1.254 -8.846 735 2HG1 VAL 99 2HG1 VAL 99 0.825 0.236 -7.885 736 3HG1 VAL 99 3HG1 VAL 99 0.756 -1.345 -7.070 737 1HG2 VAL 99 1HG2 VAL 99 -1.106 1.292 -8.757 738 2HG2 VAL 99 2HG2 VAL 99 -2.669 0.847 -8.029 739 3HG2 VAL 99 3HG2 VAL 99 -1.304 1.320 -6.989 740 H VAL 100 H VAL 100 -1.704 -3.442 -7.226 741 HA VAL 100 HA VAL 100 0.416 -4.895 -8.230 742 HB VAL 100 HB VAL 100 -1.148 -4.987 -6.045 743 1HG1 VAL 100 1HG1 VAL 100 -1.873 -7.581 -7.411 744 2HG1 VAL 100 2HG1 VAL 100 -2.553 -6.860 -5.933 745 3HG1 VAL 100 3HG1 VAL 100 -2.925 -6.149 -7.521 746 1HG2 VAL 100 1HG2 VAL 100 1.189 -6.101 -6.806 747 2HG2 VAL 100 2HG2 VAL 100 0.376 -6.484 -5.269 748 3HG2 VAL 100 3HG2 VAL 100 0.191 -7.569 -6.668 749 H ARG 101 H ARG 101 -2.996 -4.752 -9.223 750 HA ARG 101 HA ARG 101 -3.285 -7.082 -10.516 751 1HB ARG 101 1HB ARG 101 -4.357 -4.324 -10.829 752 2HB ARG 101 2HB ARG 101 -4.476 -5.287 -12.289 753 1HG ARG 101 1HG ARG 101 -5.653 -7.082 -11.048 754 2HG ARG 101 2HG ARG 101 -5.465 -6.199 -9.546 755 1HD ARG 101 1HD ARG 101 -6.936 -4.424 -10.287 756 2HD ARG 101 2HD ARG 101 -6.899 -4.985 -11.947 757 HE ARG 101 HE ARG 101 -7.916 -7.176 -10.657 758 1HH1 ARG 101 2HH2 ARG 101 -8.771 -3.766 -10.522 759 2HH1 ARG 101 1HH2 ARG 101 -10.437 -4.066 -10.155 760 1HH2 ARG 101 2HH1 ARG 101 -10.114 -7.574 -10.174 761 2HH2 ARG 101 1HH1 ARG 101 -11.206 -6.247 -9.956 762 H ASP 102 H ASP 102 -1.200 -4.353 -11.358 763 HA ASP 102 HA ASP 102 -0.907 -4.996 -14.068 764 1HB ASP 102 1HB ASP 102 0.079 -3.042 -12.196 765 2HB ASP 102 2HB ASP 102 1.474 -3.745 -12.990 766 HA PRO 103 HA PRO 103 2.358 -7.931 -13.821 767 1HB PRO 103 1HB PRO 103 4.311 -7.104 -15.544 768 2HB PRO 103 2HB PRO 103 2.831 -7.878 -16.074 769 1HG PRO 103 1HG PRO 103 3.590 -5.025 -16.231 770 2HG PRO 103 2HG PRO 103 2.340 -5.880 -17.114 771 1HD PRO 103 1HD PRO 103 1.967 -4.119 -14.881 772 2HD PRO 103 2HD PRO 103 0.731 -5.063 -15.689 773 H GLN 104 H GLN 104 2.753 -5.054 -12.414 774 HA GLN 104 HA GLN 104 5.486 -5.163 -11.815 775 1HB GLN 104 1HB GLN 104 3.242 -3.816 -10.249 776 2HB GLN 104 2HB GLN 104 4.949 -3.445 -10.123 777 1HG GLN 104 1HG GLN 104 3.840 -3.346 -12.894 778 2HG GLN 104 2HG GLN 104 3.203 -2.135 -11.799 779 1HE2 GLN 104 1HE2 GLN 104 4.807 -0.924 -10.492 780 2HE2 GLN 104 2HE2 GLN 104 6.298 -0.449 -11.235 781 H GLY 105 H GLY 105 2.593 -5.803 -9.691 782 1HA GLY 105 1HA GLY 105 2.270 -7.425 -8.143 783 2HA GLY 105 2HA GLY 105 3.773 -8.187 -8.622 784 H ILE 106 H ILE 106 2.960 -7.940 -5.894 785 HA ILE 106 HA ILE 106 3.735 -5.812 -4.457 786 HB ILE 106 HB ILE 106 3.858 -8.753 -4.012 787 1HG1 ILE 106 1HG1 ILE 106 1.763 -7.338 -3.854 788 2HG1 ILE 106 2HG1 ILE 106 2.125 -8.350 -2.470 789 1HG2 ILE 106 1HG2 ILE 106 5.169 -6.690 -2.240 790 2HG2 ILE 106 2HG2 ILE 106 4.560 -8.239 -1.612 791 3HG2 ILE 106 3HG2 ILE 106 5.834 -8.223 -2.855 792 1HD1 ILE 106 1HD1 ILE 106 3.050 -5.456 -2.591 793 2HD1 ILE 106 2HD1 ILE 106 1.436 -5.904 -1.990 794 3HD1 ILE 106 3HD1 ILE 106 2.893 -6.504 -1.161 795 H ARG 107 H ARG 107 5.801 -7.961 -6.362 796 HA ARG 107 HA ARG 107 8.194 -7.691 -5.266 797 1HB ARG 107 1HB ARG 107 7.390 -8.662 -7.610 798 2HB ARG 107 2HB ARG 107 7.920 -7.112 -8.233 799 1HG ARG 107 1HG ARG 107 9.892 -8.339 -6.399 800 2HG ARG 107 2HG ARG 107 9.550 -9.344 -7.793 801 1HD ARG 107 1HD ARG 107 10.341 -7.735 -9.326 802 2HD ARG 107 2HD ARG 107 10.042 -6.394 -8.239 803 HE ARG 107 HE ARG 107 11.972 -7.883 -6.908 804 1HH1 ARG 107 2HH2 ARG 107 11.748 -6.458 -10.118 805 2HH1 ARG 107 1HH2 ARG 107 13.457 -6.216 -10.270 806 1HH2 ARG 107 2HH1 ARG 107 14.226 -7.563 -7.107 807 2HH2 ARG 107 1HH1 ARG 107 14.875 -6.849 -8.545 808 H ALA 108 H ALA 108 6.317 -5.160 -6.956 809 HA ALA 108 HA ALA 108 8.172 -3.287 -7.543 810 1HB ALA 108 1HB ALA 108 5.371 -3.096 -6.404 811 2HB ALA 108 2HB ALA 108 6.298 -1.642 -6.847 812 3HB ALA 108 3HB ALA 108 5.911 -2.861 -8.085 813 H TRP 109 H TRP 109 6.996 -4.283 -4.316 814 HA TRP 109 HA TRP 109 8.657 -2.208 -3.098 815 1HB TRP 109 1HB TRP 109 6.611 -4.074 -1.882 816 2HB TRP 109 2HB TRP 109 7.519 -2.851 -1.014 817 HD1 TRP 109 HD TRP 109 6.886 -0.212 -1.650 818 HE1 TRP 109 1HE TRP 109 4.675 0.943 -2.510 819 HE3 TRP 109 3HE TRP 109 4.678 -4.481 -3.312 820 HZ2 TRP 109 2HZ TRP 109 2.304 -0.036 -3.761 821 HZ3 TRP 109 3HZ TRP 109 2.415 -4.293 -4.340 822 HH2 TRP 109 HH TRP 109 1.231 -2.167 -4.577 823 H VAL 110 H VAL 110 10.475 -3.628 -4.203 824 HA VAL 110 HA VAL 110 11.132 -6.140 -3.523 825 HB VAL 110 HB VAL 110 12.899 -3.699 -3.743 826 1HG1 VAL 110 1HG1 VAL 110 14.802 -5.051 -3.893 827 2HG1 VAL 110 2HG1 VAL 110 13.893 -5.767 -2.542 828 3HG1 VAL 110 3HG1 VAL 110 13.852 -6.534 -4.148 829 1HG2 VAL 110 1HG2 VAL 110 13.278 -5.172 -6.009 830 2HG2 VAL 110 2HG2 VAL 110 11.563 -5.503 -5.667 831 3HG2 VAL 110 3HG2 VAL 110 12.124 -3.825 -5.860 832 H ALA 111 H ALA 111 11.062 -3.298 -1.410 833 HA ALA 111 HA ALA 111 12.718 -4.006 0.617 834 1HB ALA 111 1HB ALA 111 10.218 -3.047 1.702 835 2HB ALA 111 2HB ALA 111 11.754 -2.174 1.484 836 3HB ALA 111 3HB ALA 111 10.558 -2.216 0.166 837 H TRP 112 H TRP 112 9.316 -5.132 0.069 838 HA TRP 112 HA TRP 112 9.063 -6.667 2.340 839 1HB TRP 112 1HB TRP 112 7.066 -6.731 1.395 840 2HB TRP 112 2HB TRP 112 7.709 -6.337 -0.186 841 HD1 TRP 112 HD TRP 112 6.358 -9.268 1.790 842 HE1 TRP 112 1HE TRP 112 6.287 -11.488 0.365 843 HE3 TRP 112 3HE TRP 112 9.121 -7.487 -2.089 844 HZ2 TRP 112 2HZ TRP 112 7.370 -12.234 -2.168 845 HZ3 TRP 112 3HZ TRP 112 9.568 -9.026 -3.999 846 HH2 TRP 112 HH TRP 112 8.743 -11.325 -4.078 847 H ARG 113 H ARG 113 10.689 -7.305 -0.800 848 HA ARG 113 HA ARG 113 11.074 -10.005 -0.431 849 1HB ARG 113 1HB ARG 113 11.490 -8.505 -2.527 850 2HB ARG 113 2HB ARG 113 13.063 -8.164 -1.833 851 1HG ARG 113 1HG ARG 113 13.042 -10.897 -1.616 852 2HG ARG 113 2HG ARG 113 12.022 -10.704 -3.029 853 1HD ARG 113 1HD ARG 113 13.745 -9.573 -4.263 854 2HD ARG 113 2HD ARG 113 14.684 -9.243 -2.821 855 HE ARG 113 HE ARG 113 14.268 -12.107 -3.375 856 1HH1 ARG 113 2HH2 ARG 113 16.356 -9.311 -3.834 857 2HH1 ARG 113 1HH2 ARG 113 17.765 -10.259 -4.177 858 1HH2 ARG 113 2HH1 ARG 113 16.126 -13.358 -3.827 859 2HH2 ARG 113 1HH1 ARG 113 17.633 -12.576 -4.173 860 H ALA 114 H ALA 114 12.397 -7.296 1.252 861 HA ALA 114 HA ALA 114 14.472 -9.031 2.395 862 1HB ALA 114 1HB ALA 114 16.003 -7.602 1.573 863 2HB ALA 114 2HB ALA 114 14.740 -6.484 1.004 864 3HB ALA 114 3HB ALA 114 15.342 -6.371 2.676 865 H HIS 115 H HIS 115 11.675 -8.655 3.207 866 HA HIS 115 HA HIS 115 12.239 -7.699 5.877 867 1HB HIS 115 1HB HIS 115 10.969 -6.015 4.049 868 2HB HIS 115 2HB HIS 115 9.649 -6.702 4.974 869 HD1 HIS 115 1HD HIS 115 13.109 -5.297 5.907 870 HD2 HIS 115 2HD HIS 115 9.092 -5.100 7.097 871 HE1 HIS 115 1HE HIS 115 13.030 -3.700 7.896 872 HE2 HIS 115 2HE HIS 115 10.529 -3.578 8.549 873 H CYS 116 H CYS 116 9.868 -9.102 3.535 874 HA CYS 116 HA CYS 116 8.607 -10.539 5.700 875 1HB CYS 116 1HB CYS 116 7.802 -9.595 3.142 876 2HB CYS 116 2HB CYS 116 7.658 -11.341 3.120 877 H GLN 117 H GLN 117 10.278 -11.219 2.535 878 HA GLN 117 HA GLN 117 10.453 -13.973 3.088 879 1HB GLN 117 1HB GLN 117 11.091 -12.154 0.905 880 2HB GLN 117 2HB GLN 117 12.418 -13.273 1.150 881 1HG GLN 117 1HG GLN 117 9.579 -14.330 1.111 882 2HG GLN 117 2HG GLN 117 10.370 -13.944 -0.405 883 1HE2 GLN 117 1HE2 GLN 117 10.521 -15.874 2.522 884 2HE2 GLN 117 2HE2 GLN 117 11.556 -17.130 1.931 885 H ASN 118 H ASN 118 11.357 -13.154 5.411 886 HA ASN 118 HA ASN 118 14.189 -13.695 5.229 887 1HB ASN 118 1HB ASN 118 13.424 -11.099 5.595 888 2HB ASN 118 2HB ASN 118 13.346 -11.635 7.261 889 1HD2 ASN 118 1HD2 ASN 118 15.282 -10.403 4.869 890 2HD2 ASN 118 2HD2 ASN 118 16.853 -10.737 5.517 891 H ARG 119 H ARG 119 11.494 -12.810 7.531 892 HA ARG 119 HA ARG 119 12.131 -15.255 8.969 893 1HB ARG 119 1HB ARG 119 12.770 -12.862 10.028 894 2HB ARG 119 2HB ARG 119 11.073 -12.850 10.468 895 1HG ARG 119 1HG ARG 119 11.389 -14.381 12.123 896 2HG ARG 119 2HG ARG 119 12.279 -15.456 11.063 897 1HD ARG 119 1HD ARG 119 13.962 -14.890 12.583 898 2HD ARG 119 2HD ARG 119 14.233 -13.669 11.355 899 HE ARG 119 HE ARG 119 12.326 -12.600 13.163 900 1HH1 ARG 119 2HH2 ARG 119 15.692 -13.625 13.201 901 2HH1 ARG 119 1HH2 ARG 119 16.145 -12.528 14.464 902 1HH2 ARG 119 2HH1 ARG 119 12.923 -11.154 14.828 903 2HH2 ARG 119 1HH1 ARG 119 14.559 -11.113 15.395 904 H ASP 120 H ASP 120 10.052 -15.170 10.880 905 HA ASP 120 HA ASP 120 7.799 -15.528 9.118 906 1HB ASP 120 1HB ASP 120 8.562 -17.243 10.875 907 2HB ASP 120 2HB ASP 120 8.014 -16.122 12.104 908 H LEU 121 H LEU 121 6.781 -13.505 8.796 909 HA LEU 121 HA LEU 121 6.477 -11.754 11.101 910 1HB LEU 121 1HB LEU 121 7.297 -11.079 8.744 911 2HB LEU 121 2HB LEU 121 5.607 -11.165 8.287 912 HG LEU 121 HG LEU 121 6.006 -9.587 10.715 913 1HD1 LEU 121 1HD1 LEU 121 7.274 -8.497 8.191 914 2HD1 LEU 121 2HD1 LEU 121 7.185 -7.726 9.793 915 3HD1 LEU 121 3HD1 LEU 121 8.190 -9.176 9.558 916 1HD2 LEU 121 1HD2 LEU 121 4.251 -9.730 8.489 917 2HD2 LEU 121 2HD2 LEU 121 4.114 -8.723 9.951 918 3HD2 LEU 121 3HD2 LEU 121 4.955 -8.096 8.512 919 H SER 122 H SER 122 5.023 -14.460 10.451 920 HA SER 122 HA SER 122 2.362 -13.702 9.970 921 1HB SER 122 1HB SER 122 3.877 -16.155 10.447 922 2HB SER 122 2HB SER 122 2.364 -16.193 11.330 923 HG SER 122 HG SER 122 2.482 -15.442 8.543 924 H GLN 123 H GLN 123 4.455 -13.789 12.792 925 HA GLN 123 HA GLN 123 2.379 -14.021 14.687 926 1HB GLN 123 1HB GLN 123 4.779 -14.630 15.113 927 2HB GLN 123 2HB GLN 123 5.209 -12.934 15.028 928 1HG GLN 123 1HG GLN 123 4.724 -12.746 17.233 929 2HG GLN 123 2HG GLN 123 3.038 -13.035 16.850 930 1HE2 GLN 123 1HE2 GLN 123 5.729 -14.118 18.498 931 2HE2 GLN 123 2HE2 GLN 123 5.228 -15.725 18.903 932 H TYR 124 H TYR 124 3.365 -11.520 12.572 933 HA TYR 124 HA TYR 124 2.841 -9.316 14.318 934 1HB TYR 124 1HB TYR 124 4.127 -9.822 11.894 935 2HB TYR 124 2HB TYR 124 2.617 -9.152 11.310 936 HD1 TYR 124 1HD TYR 124 5.885 -8.357 12.277 937 HD2 TYR 124 2HD TYR 124 1.878 -6.889 12.567 938 HE1 TYR 124 1HE TYR 124 6.768 -6.005 12.672 939 HE2 TYR 124 2HE TYR 124 2.774 -4.542 12.961 940 HH TYR 124 HH TYR 124 6.188 -3.838 12.634 941 H ILE 125 H ILE 125 1.003 -11.306 11.983 942 HA ILE 125 HA ILE 125 -1.278 -9.513 12.283 943 HB ILE 125 HB ILE 125 -2.260 -11.000 10.514 944 1HG1 ILE 125 1HG1 ILE 125 0.356 -11.986 9.637 945 2HG1 ILE 125 2HG1 ILE 125 -0.155 -12.692 11.157 946 1HG2 ILE 125 1HG2 ILE 125 0.258 -9.409 9.995 947 2HG2 ILE 125 2HG2 ILE 125 -0.783 -10.044 8.699 948 3HG2 ILE 125 3HG2 ILE 125 -1.434 -8.874 9.871 949 1HD1 ILE 125 1HD1 ILE 125 -1.919 -13.819 10.204 950 2HD1 ILE 125 2HD1 ILE 125 -2.285 -12.495 9.072 951 3HD1 ILE 125 3HD1 ILE 125 -0.956 -13.626 8.721 952 H ARG 126 H ARG 126 -0.051 -12.756 13.116 953 HA ARG 126 HA ARG 126 -2.566 -13.627 14.060 954 1HB ARG 126 1HB ARG 126 -0.760 -15.180 13.249 955 2HB ARG 126 2HB ARG 126 0.240 -14.720 14.613 956 1HG ARG 126 1HG ARG 126 -0.857 -16.803 15.191 957 2HG ARG 126 2HG ARG 126 -1.582 -15.543 16.169 958 1HD ARG 126 1HD ARG 126 -3.527 -15.410 14.676 959 2HD ARG 126 2HD ARG 126 -2.776 -16.497 13.524 960 HE ARG 126 HE ARG 126 -3.024 -17.650 16.208 961 1HH1 ARG 126 2HH2 ARG 126 -4.637 -17.154 13.119 962 2HH1 ARG 126 1HH2 ARG 126 -5.714 -18.496 13.320 963 1HH2 ARG 126 2HH1 ARG 126 -4.444 -19.422 16.473 964 2HH2 ARG 126 1HH1 ARG 126 -5.603 -19.794 15.241 965 H ASN 127 H ASN 127 -3.489 -12.734 15.884 966 HA ASN 127 HA ASN 127 -2.534 -13.009 18.354 967 1HB ASN 127 1HB ASN 127 -1.017 -10.939 17.053 968 2HB ASN 127 2HB ASN 127 -2.065 -10.134 18.203 969 1HD2 ASN 127 1HD2 ASN 127 0.138 -12.897 17.864 970 2HD2 ASN 127 2HD2 ASN 127 0.802 -12.853 19.463 971 H CYS 128 H CYS 128 -4.198 -11.033 15.925 972 HA CYS 128 HA CYS 128 -5.872 -9.648 17.742 973 1HB CYS 128 1HB CYS 128 -5.229 -9.366 15.099 974 2HB CYS 128 2HB CYS 128 -6.845 -10.034 14.987 975 H GLY 129 H GLY 129 -5.764 -12.839 16.262 976 1HA GLY 129 1HA GLY 129 -7.036 -14.603 17.184 977 2HA GLY 129 2HA GLY 129 -8.338 -13.485 17.538 978 H VAL 130 H VAL 130 -6.546 -13.423 14.445 979 HA VAL 130 HA VAL 130 -9.044 -13.977 13.079 980 HB VAL 130 HB VAL 130 -7.164 -12.128 12.659 981 1HG1 VAL 130 1HG1 VAL 130 -5.572 -14.139 12.101 982 2HG1 VAL 130 2HG1 VAL 130 -6.394 -14.099 10.523 983 3HG1 VAL 130 3HG1 VAL 130 -5.525 -12.661 11.111 984 1HG2 VAL 130 1HG2 VAL 130 -8.601 -13.451 10.341 985 2HG2 VAL 130 2HG2 VAL 130 -9.415 -12.433 11.552 986 3HG2 VAL 130 3HG2 VAL 130 -8.145 -11.739 10.516 Start of MODEL 9 1 H LYS 1 H LYS 1 -5.074 6.370 5.514 2 HA LYS 1 HA LYS 1 -4.251 8.057 6.732 3 1HB LYS 1 1HB LYS 1 -6.622 8.374 6.963 4 2HB LYS 1 2HB LYS 1 -6.715 7.228 8.285 5 1HG LYS 1 1HG LYS 1 -6.598 9.164 9.542 6 2HG LYS 1 2HG LYS 1 -4.877 8.881 9.367 7 1HD LYS 1 1HD LYS 1 -4.599 10.602 7.819 8 2HD LYS 1 2HD LYS 1 -6.218 10.433 7.170 9 1HE LYS 1 1HE LYS 1 -7.129 11.401 9.334 10 2HE LYS 1 2HE LYS 1 -5.482 11.670 9.866 11 1HZ LYS 1 1HZ LYS 1 -6.760 13.504 8.619 12 2HZ LYS 1 2HZ LYS 1 -5.172 13.282 8.312 13 3HZ LYS 1 3HZ LYS 1 -6.292 12.705 7.274 14 H VAL 2 H VAL 2 -5.363 5.781 9.342 15 HA VAL 2 HA VAL 2 -2.609 5.535 10.216 16 HB VAL 2 HB VAL 2 -4.763 6.993 11.696 17 1HG1 VAL 2 1HG1 VAL 2 -3.062 6.607 13.722 18 2HG1 VAL 2 2HG1 VAL 2 -4.442 5.524 13.418 19 3HG1 VAL 2 3HG1 VAL 2 -2.812 5.063 12.872 20 1HG2 VAL 2 1HG2 VAL 2 -2.970 8.520 12.243 21 2HG2 VAL 2 2HG2 VAL 2 -1.758 7.406 11.566 22 3HG2 VAL 2 3HG2 VAL 2 -2.938 8.197 10.493 23 H TYR 3 H TYR 3 -2.286 3.399 10.522 24 HA TYR 3 HA TYR 3 -4.156 1.864 12.038 25 1HB TYR 3 1HB TYR 3 -3.795 1.654 9.002 26 2HB TYR 3 2HB TYR 3 -4.230 0.223 9.915 27 HD1 TYR 3 1HD TYR 3 -5.696 2.177 7.743 28 HD2 TYR 3 2HD TYR 3 -6.128 1.328 11.913 29 HE1 TYR 3 1HE TYR 3 -8.146 2.847 7.632 30 HE2 TYR 3 2HE TYR 3 -8.577 2.000 11.789 31 HH TYR 3 HH TYR 3 -10.015 3.009 8.698 32 H GLU 4 H GLU 4 -3.143 0.101 12.978 33 HA GLU 4 HA GLU 4 -0.353 -0.180 12.237 34 1HB GLU 4 1HB GLU 4 -0.032 -1.157 14.448 35 2HB GLU 4 2HB GLU 4 -0.920 0.345 14.614 36 1HG GLU 4 1HG GLU 4 -3.063 -0.919 14.753 37 2HG GLU 4 2HG GLU 4 -2.199 -2.429 14.537 38 H ARG 5 H ARG 5 0.462 -2.618 12.771 39 HA ARG 5 HA ARG 5 -0.216 -4.185 10.790 40 1HB ARG 5 1HB ARG 5 0.180 -6.140 12.667 41 2HB ARG 5 2HB ARG 5 1.482 -5.185 11.985 42 1HG ARG 5 1HG ARG 5 1.801 -3.979 13.922 43 2HG ARG 5 2HG ARG 5 0.088 -3.893 14.278 44 1HD ARG 5 1HD ARG 5 0.716 -6.639 14.549 45 2HD ARG 5 2HD ARG 5 2.091 -5.811 15.253 46 HE ARG 5 HE ARG 5 -0.540 -5.984 16.398 47 1HH1 ARG 5 2HH2 ARG 5 2.119 -3.715 16.001 48 2HH1 ARG 5 1HH2 ARG 5 1.732 -2.814 17.429 49 1HH2 ARG 5 2HH1 ARG 5 -1.051 -4.795 18.282 50 2HH2 ARG 5 1HH1 ARG 5 -0.084 -3.432 18.734 51 H CYS 6 H CYS 6 -1.644 -4.697 14.110 52 HA CYS 6 HA CYS 6 -3.487 -6.558 13.492 53 1HB CYS 6 1HB CYS 6 -3.047 -4.681 15.615 54 2HB CYS 6 2HB CYS 6 -4.765 -4.755 15.276 55 H GLU 7 H GLU 7 -4.453 -3.076 13.903 56 HA GLU 7 HA GLU 7 -6.820 -3.091 12.794 57 1HB GLU 7 1HB GLU 7 -4.644 -1.107 12.960 58 2HB GLU 7 2HB GLU 7 -5.747 -0.779 11.638 59 1HG GLU 7 1HG GLU 7 -7.390 -0.106 13.060 60 2HG GLU 7 2HG GLU 7 -7.242 -1.559 14.028 61 H PHE 8 H PHE 8 -3.891 -2.366 10.748 62 HA PHE 8 HA PHE 8 -4.991 -2.346 8.319 63 1HB PHE 8 1HB PHE 8 -2.460 -2.533 9.445 64 2HB PHE 8 2HB PHE 8 -2.560 -4.102 8.672 65 HD1 PHE 8 1HD PHE 8 -1.380 -4.128 6.702 66 HD2 PHE 8 2HD PHE 8 -3.629 -0.660 7.666 67 HE1 PHE 8 1HE PHE 8 -0.721 -3.091 4.513 68 HE2 PHE 8 2HE PHE 8 -2.970 0.375 5.477 69 HZ PHE 8 HZ PHE 8 -1.523 -0.852 3.926 70 H ALA 9 H ALA 9 -3.948 -5.358 10.063 71 HA ALA 9 HA ALA 9 -4.686 -7.132 8.058 72 1HB ALA 9 1HB ALA 9 -4.138 -8.741 9.609 73 2HB ALA 9 2HB ALA 9 -3.389 -7.332 10.399 74 3HB ALA 9 3HB ALA 9 -4.985 -7.909 10.936 75 H ARG 10 H ARG 10 -6.517 -6.138 11.043 76 HA ARG 10 HA ARG 10 -8.767 -7.544 10.518 77 1HB ARG 10 1HB ARG 10 -8.239 -6.205 12.609 78 2HB ARG 10 2HB ARG 10 -8.646 -4.739 11.738 79 1HG ARG 10 1HG ARG 10 -10.898 -5.112 11.911 80 2HG ARG 10 2HG ARG 10 -10.744 -6.813 11.518 81 1HD ARG 10 1HD ARG 10 -9.548 -6.400 14.116 82 2HD ARG 10 2HD ARG 10 -11.110 -5.606 14.116 83 HE ARG 10 HE ARG 10 -12.177 -7.701 13.876 84 1HH1 ARG 10 2HH2 ARG 10 -8.705 -8.044 13.419 85 2HH1 ARG 10 1HH2 ARG 10 -8.741 -9.774 13.470 86 1HH2 ARG 10 2HH1 ARG 10 -12.225 -9.984 13.944 87 2HH2 ARG 10 1HH1 ARG 10 -10.756 -10.885 13.771 88 H THR 11 H THR 11 -8.060 -4.084 9.626 89 HA THR 11 HA THR 11 -10.407 -3.535 8.293 90 HB THR 11 HB THR 11 -7.521 -2.596 7.916 91 HG1 THR 11 1HG THR 11 -8.720 -2.193 9.949 92 1HG2 THR 11 1HG2 THR 11 -8.187 -1.194 6.238 93 2HG2 THR 11 2HG2 THR 11 -9.711 -2.109 6.148 94 3HG2 THR 11 3HG2 THR 11 -9.596 -0.672 7.192 95 H LEU 12 H LEU 12 -7.352 -4.903 6.901 96 HA LEU 12 HA LEU 12 -8.232 -5.099 4.309 97 1HB LEU 12 1HB LEU 12 -6.096 -6.148 5.948 98 2HB LEU 12 2HB LEU 12 -6.638 -7.354 4.799 99 HG LEU 12 HG LEU 12 -6.325 -5.673 2.964 100 1HD1 LEU 12 1HD1 LEU 12 -4.514 -3.869 3.980 101 2HD1 LEU 12 2HD1 LEU 12 -6.220 -3.533 3.597 102 3HD1 LEU 12 3HD1 LEU 12 -5.746 -3.947 5.262 103 1HD2 LEU 12 1HD2 LEU 12 -3.706 -5.678 3.286 104 2HD2 LEU 12 2HD2 LEU 12 -4.101 -6.761 4.641 105 3HD2 LEU 12 3HD2 LEU 12 -4.606 -7.184 2.987 106 H LYS 13 H LYS 13 -8.419 -7.642 6.901 107 HA LYS 13 HA LYS 13 -9.898 -9.425 5.343 108 1HB LYS 13 1HB LYS 13 -8.692 -9.415 7.849 109 2HB LYS 13 2HB LYS 13 -10.396 -9.585 8.222 110 1HG LYS 13 1HG LYS 13 -9.124 -11.273 6.039 111 2HG LYS 13 2HG LYS 13 -8.983 -11.745 7.720 112 1HD LYS 13 1HD LYS 13 -10.989 -12.790 7.407 113 2HD LYS 13 2HD LYS 13 -11.687 -11.189 7.557 114 1HE LYS 13 1HE LYS 13 -12.574 -11.656 5.490 115 2HE LYS 13 2HE LYS 13 -11.007 -11.132 4.908 116 1HZ LYS 13 1HZ LYS 13 -10.305 -13.480 5.108 117 2HZ LYS 13 2HZ LYS 13 -11.853 -13.893 5.429 118 3HZ LYS 13 3HZ LYS 13 -11.466 -13.230 3.987 119 H ARG 14 H ARG 14 -10.760 -6.469 7.029 120 HA ARG 14 HA ARG 14 -13.515 -7.157 7.160 121 1HB ARG 14 1HB ARG 14 -12.335 -5.586 8.780 122 2HB ARG 14 2HB ARG 14 -12.184 -4.420 7.480 123 1HG ARG 14 1HG ARG 14 -14.304 -3.692 7.815 124 2HG ARG 14 2HG ARG 14 -14.938 -5.310 7.592 125 1HD ARG 14 1HD ARG 14 -14.858 -5.814 9.901 126 2HD ARG 14 2HD ARG 14 -13.619 -4.618 10.227 127 HE ARG 14 HE ARG 14 -15.708 -3.046 9.388 128 1HH1 ARG 14 2HH2 ARG 14 -15.496 -5.630 11.767 129 2HH1 ARG 14 1HH2 ARG 14 -16.760 -4.989 12.764 130 1HH2 ARG 14 2HH1 ARG 14 -17.374 -2.200 10.703 131 2HH2 ARG 14 1HH1 ARG 14 -17.835 -3.025 12.155 132 H ASN 15 H ASN 15 -11.279 -5.670 4.880 133 HA ASN 15 HA ASN 15 -13.402 -4.406 3.419 134 1HB ASN 15 1HB ASN 15 -10.748 -3.787 3.727 135 2HB ASN 15 2HB ASN 15 -10.652 -4.699 2.234 136 1HD2 ASN 15 1HD2 ASN 15 -11.667 -3.978 0.381 137 2HD2 ASN 15 2HD2 ASN 15 -12.241 -2.356 0.180 138 H GLY 16 H GLY 16 -11.014 -7.118 3.145 139 1HA GLY 16 1HA GLY 16 -11.908 -9.178 2.170 140 2HA GLY 16 2HA GLY 16 -12.603 -8.200 0.894 141 H MET 17 H MET 17 -9.349 -7.900 2.455 142 HA MET 17 HA MET 17 -8.222 -8.560 -0.156 143 1HB MET 17 1HB MET 17 -8.014 -6.132 1.457 144 2HB MET 17 2HB MET 17 -6.425 -6.859 1.326 145 1HG MET 17 1HG MET 17 -7.597 -7.027 -1.283 146 2HG MET 17 2HG MET 17 -7.934 -5.410 -0.697 147 1HE MET 17 1HE MET 17 -4.762 -5.791 -3.121 148 2HE MET 17 2HE MET 17 -4.918 -7.444 -2.478 149 3HE MET 17 3HE MET 17 -6.366 -6.553 -3.008 150 H ALA 18 H ALA 18 -7.889 -8.581 3.418 151 HA ALA 18 HA ALA 18 -5.419 -9.707 3.700 152 1HB ALA 18 1HB ALA 18 -8.009 -9.818 5.223 153 2HB ALA 18 2HB ALA 18 -6.670 -10.874 5.732 154 3HB ALA 18 3HB ALA 18 -6.445 -9.108 5.690 155 H GLY 19 H GLY 19 -4.790 -11.213 2.140 156 1HA GLY 19 1HA GLY 19 -4.493 -13.571 1.939 157 2HA GLY 19 2HA GLY 19 -6.190 -13.807 2.309 158 H TYR 20 H TYR 20 -5.084 -11.176 0.166 159 HA TYR 20 HA TYR 20 -6.842 -11.652 -1.845 160 1HB TYR 20 1HB TYR 20 -4.887 -9.855 -1.271 161 2HB TYR 20 2HB TYR 20 -3.946 -10.838 -2.377 162 HD1 TYR 20 1HD TYR 20 -3.938 -10.263 -4.627 163 HD2 TYR 20 2HD TYR 20 -7.286 -9.127 -2.218 164 HE1 TYR 20 1HE TYR 20 -4.931 -8.993 -6.593 165 HE2 TYR 20 2HE TYR 20 -8.268 -7.862 -4.193 166 HH TYR 20 HH TYR 20 -7.399 -8.342 -7.252 167 H TYR 21 H TYR 21 -5.983 -12.125 -4.269 168 HA TYR 21 HA TYR 21 -5.930 -14.699 -4.753 169 1HB TYR 21 1HB TYR 21 -4.859 -12.223 -5.945 170 2HB TYR 21 2HB TYR 21 -3.830 -13.570 -6.389 171 HD1 TYR 21 1HD TYR 21 -4.476 -15.091 -8.086 172 HD2 TYR 21 2HD TYR 21 -7.357 -12.370 -6.475 173 HE1 TYR 21 1HE TYR 21 -6.118 -15.733 -9.918 174 HE2 TYR 21 2HE TYR 21 -8.989 -13.020 -8.312 175 HH TYR 21 HH TYR 21 -8.487 -14.050 -10.882 176 H GLY 22 H GLY 22 -2.986 -12.829 -3.799 177 1HA GLY 22 1HA GLY 22 -1.737 -15.390 -3.048 178 2HA GLY 22 2HA GLY 22 -0.877 -14.265 -4.079 179 H VAL 23 H VAL 23 -0.915 -11.848 -3.188 180 HA VAL 23 HA VAL 23 0.540 -11.805 -0.860 181 HB VAL 23 HB VAL 23 0.686 -10.012 -2.371 182 1HG1 VAL 23 1HG1 VAL 23 -1.916 -8.744 -2.058 183 2HG1 VAL 23 2HG1 VAL 23 -1.023 -9.165 -3.538 184 3HG1 VAL 23 3HG1 VAL 23 -2.060 -10.378 -2.749 185 1HG2 VAL 23 1HG2 VAL 23 -0.153 -8.012 -0.908 186 2HG2 VAL 23 2HG2 VAL 23 -0.574 -9.285 0.263 187 3HG2 VAL 23 3HG2 VAL 23 1.111 -9.097 -0.280 188 H SER 24 H SER 24 -0.070 -12.481 1.130 189 HA SER 24 HA SER 24 -2.854 -12.263 1.822 190 1HB SER 24 1HB SER 24 -0.448 -13.639 3.051 191 2HB SER 24 2HB SER 24 -1.923 -13.446 3.977 192 HG SER 24 HG SER 24 -2.634 -15.185 2.966 193 H LEU 25 H LEU 25 -3.335 -11.521 4.200 194 HA LEU 25 HA LEU 25 -2.726 -8.871 4.463 195 1HB LEU 25 1HB LEU 25 -3.472 -9.179 6.839 196 2HB LEU 25 2HB LEU 25 -4.584 -9.708 5.593 197 HG LEU 25 HG LEU 25 -2.749 -11.766 6.730 198 1HD1 LEU 25 1HD1 LEU 25 -4.361 -12.141 8.625 199 2HD1 LEU 25 2HD1 LEU 25 -3.334 -10.694 8.772 200 3HD1 LEU 25 3HD1 LEU 25 -5.036 -10.531 8.279 201 1HD2 LEU 25 1HD2 LEU 25 -5.029 -11.714 5.071 202 2HD2 LEU 25 2HD2 LEU 25 -4.153 -13.133 5.692 203 3HD2 LEU 25 3HD2 LEU 25 -5.536 -12.475 6.599 204 H ALA 26 H ALA 26 -0.865 -11.728 5.456 205 HA ALA 26 HA ALA 26 0.834 -10.466 7.277 206 1HB ALA 26 1HB ALA 26 2.342 -12.465 6.101 207 2HB ALA 26 2HB ALA 26 1.190 -12.696 7.438 208 3HB ALA 26 3HB ALA 26 0.676 -12.990 5.758 209 H ASP 27 H ASP 27 1.171 -11.084 3.714 210 HA ASP 27 HA ASP 27 3.628 -9.813 3.525 211 1HB ASP 27 1HB ASP 27 2.603 -11.362 1.818 212 2HB ASP 27 2HB ASP 27 1.448 -10.111 1.403 213 H TRP 28 H TRP 28 0.215 -8.722 3.366 214 HA TRP 28 HA TRP 28 0.708 -6.175 2.272 215 1HB TRP 28 1HB TRP 28 -1.561 -7.378 3.844 216 2HB TRP 28 2HB TRP 28 -1.563 -5.692 3.368 217 HD1 TRP 28 HD TRP 28 -2.524 -9.035 2.051 218 HE1 TRP 28 1HE TRP 28 -3.187 -8.998 -0.502 219 HE3 TRP 28 3HE TRP 28 -0.680 -4.393 1.099 220 HZ2 TRP 28 2HZ TRP 28 -2.873 -7.076 -2.588 221 HZ3 TRP 28 3HZ TRP 28 -0.899 -3.510 -1.223 222 HH2 TRP 28 HH TRP 28 -1.951 -4.772 -3.033 223 H VAL 29 H VAL 29 0.016 -7.271 5.679 224 HA VAL 29 HA VAL 29 0.455 -4.871 6.920 225 HB VAL 29 HB VAL 29 1.106 -7.655 7.910 226 1HG1 VAL 29 1HG1 VAL 29 0.821 -4.994 9.290 227 2HG1 VAL 29 2HG1 VAL 29 0.400 -6.498 10.143 228 3HG1 VAL 29 3HG1 VAL 29 2.050 -6.262 9.514 229 1HG2 VAL 29 1HG2 VAL 29 -1.325 -6.772 6.996 230 2HG2 VAL 29 2HG2 VAL 29 -1.091 -8.054 8.208 231 3HG2 VAL 29 3HG2 VAL 29 -1.425 -6.387 8.731 232 H CYS 30 H CYS 30 2.878 -7.549 6.463 233 HA CYS 30 HA CYS 30 5.031 -6.209 7.479 234 1HB CYS 30 1HB CYS 30 6.329 -7.885 6.628 235 2HB CYS 30 2HB CYS 30 4.753 -8.651 6.648 236 H LEU 31 H LEU 31 3.651 -6.232 4.131 237 HA LEU 31 HA LEU 31 5.604 -4.718 2.900 238 1HB LEU 31 1HB LEU 31 4.053 -5.836 1.564 239 2HB LEU 31 2HB LEU 31 2.677 -5.157 2.409 240 HG LEU 31 HG LEU 31 3.187 -2.933 1.441 241 1HD1 LEU 31 1HD1 LEU 31 5.262 -2.551 0.731 242 2HD1 LEU 31 2HD1 LEU 31 5.636 -4.289 0.637 243 3HD1 LEU 31 3HD1 LEU 31 4.835 -3.477 -0.728 244 1HD2 LEU 31 1HD2 LEU 31 2.125 -5.221 0.130 245 2HD2 LEU 31 2HD2 LEU 31 1.724 -3.505 -0.120 246 3HD2 LEU 31 3HD2 LEU 31 3.017 -4.265 -1.078 247 H ALA 32 H ALA 32 2.546 -3.636 4.529 248 HA ALA 32 HA ALA 32 3.096 -0.900 4.149 249 1HB ALA 32 1HB ALA 32 0.842 -1.811 4.537 250 2HB ALA 32 2HB ALA 32 1.327 -2.343 6.165 251 3HB ALA 32 3HB ALA 32 1.256 -0.607 5.782 252 H GLN 33 H GLN 33 4.271 -3.339 6.380 253 HA GLN 33 HA GLN 33 4.925 -1.577 8.461 254 1HB GLN 33 1HB GLN 33 4.715 -4.180 8.458 255 2HB GLN 33 2HB GLN 33 6.369 -4.183 7.878 256 1HG GLN 33 1HG GLN 33 6.217 -4.371 10.377 257 2HG GLN 33 2HG GLN 33 7.146 -2.980 9.858 258 1HE2 GLN 33 1HE2 GLN 33 6.713 -1.136 10.784 259 2HE2 GLN 33 2HE2 GLN 33 5.232 -0.664 11.548 260 H HIS 34 H HIS 34 6.878 -3.095 5.799 261 HA HIS 34 HA HIS 34 9.233 -1.745 6.479 262 1HB HIS 34 1HB HIS 34 8.804 -3.847 4.999 263 2HB HIS 34 2HB HIS 34 8.584 -2.695 3.696 264 HD1 HIS 34 1HD HIS 34 11.091 -4.815 4.779 265 HD2 HIS 34 2HD HIS 34 11.056 -0.688 4.030 266 HE1 HIS 34 1HE HIS 34 13.517 -4.143 4.368 267 HE2 HIS 34 2HE HIS 34 13.426 -1.607 3.860 268 H GLU 35 H GLU 35 6.301 -0.779 4.823 269 HA GLU 35 HA GLU 35 7.567 1.364 3.436 270 1HB GLU 35 1HB GLU 35 4.606 0.814 3.926 271 2HB GLU 35 2HB GLU 35 5.250 1.975 2.782 272 1HG GLU 35 1HG GLU 35 6.375 -0.762 2.483 273 2HG GLU 35 2HG GLU 35 4.649 -0.670 2.198 274 H SER 36 H SER 36 5.097 1.149 6.106 275 HA SER 36 HA SER 36 6.423 3.064 7.636 276 1HB SER 36 1HB SER 36 5.001 4.258 5.574 277 2HB SER 36 2HB SER 36 3.827 4.284 6.876 278 HG SER 36 HG SER 36 5.870 5.965 6.517 279 H ASN 37 H ASN 37 2.960 2.264 6.813 280 HA ASN 37 HA ASN 37 1.382 1.302 7.949 281 1HB ASN 37 1HB ASN 37 3.366 -0.354 8.534 282 2HB ASN 37 2HB ASN 37 3.319 0.395 10.117 283 1HD2 ASN 37 1HD2 ASN 37 0.884 -0.601 7.709 284 2HD2 ASN 37 2HD2 ASN 37 -0.096 -1.556 8.770 285 H TYR 38 H TYR 38 0.499 1.175 10.502 286 HA TYR 38 HA TYR 38 -0.201 2.337 12.254 287 1HB TYR 38 1HB TYR 38 2.691 3.128 11.832 288 2HB TYR 38 2HB TYR 38 1.781 4.167 12.909 289 HD1 TYR 38 1HD TYR 38 2.573 0.547 12.349 290 HD2 TYR 38 2HD TYR 38 1.609 3.614 15.173 291 HE1 TYR 38 1HE TYR 38 2.963 -1.082 14.262 292 HE2 TYR 38 2HE TYR 38 2.002 1.975 17.076 293 HH TYR 38 HH TYR 38 3.063 0.000 17.557 294 H ASN 39 H ASN 39 1.778 4.743 10.368 295 HA ASN 39 HA ASN 39 -0.665 6.324 10.214 296 1HB ASN 39 1HB ASN 39 2.185 7.414 10.483 297 2HB ASN 39 2HB ASN 39 0.720 8.373 10.429 298 1HD2 ASN 39 1HD2 ASN 39 1.640 9.193 12.452 299 2HD2 ASN 39 2HD2 ASN 39 1.265 8.393 13.942 300 H THR 40 H THR 40 -0.931 7.476 8.167 301 HA THR 40 HA THR 40 0.801 6.440 6.041 302 HB THR 40 HB THR 40 -1.154 7.127 4.603 303 HG1 THR 40 1HG THR 40 -2.179 8.768 5.740 304 1HG2 THR 40 1HG2 THR 40 -2.457 5.729 6.936 305 2HG2 THR 40 2HG2 THR 40 -2.538 5.339 5.201 306 3HG2 THR 40 3HG2 THR 40 -1.095 4.899 6.146 307 H ARG 41 H ARG 41 2.295 8.162 7.361 308 HA ARG 41 HA ARG 41 1.808 10.784 6.299 309 1HB ARG 41 1HB ARG 41 2.625 10.458 8.657 310 2HB ARG 41 2HB ARG 41 4.097 9.732 8.040 311 1HG ARG 41 1HG ARG 41 5.022 11.786 7.815 312 2HG ARG 41 2HG ARG 41 3.781 12.221 6.656 313 1HD ARG 41 1HD ARG 41 2.455 13.302 8.257 314 2HD ARG 41 2HD ARG 41 3.027 12.296 9.573 315 HE ARG 41 HE ARG 41 4.193 14.795 8.698 316 1HH1 ARG 41 2HH2 ARG 41 5.035 11.655 10.047 317 2HH1 ARG 41 1HH2 ARG 41 6.483 12.227 10.806 318 1HH2 ARG 41 2HH1 ARG 41 6.104 15.550 9.699 319 2HH2 ARG 41 1HH1 ARG 41 7.095 14.458 10.607 320 H ALA 42 H ALA 42 3.566 7.872 5.545 321 HA ALA 42 HA ALA 42 5.876 8.602 4.405 322 1HB ALA 42 1HB ALA 42 3.976 6.458 4.173 323 2HB ALA 42 2HB ALA 42 4.572 6.866 2.545 324 3HB ALA 42 3HB ALA 42 5.724 6.437 3.833 325 H THR 43 H THR 43 6.114 10.615 3.454 326 HA THR 43 HA THR 43 4.712 10.939 0.902 327 HB THR 43 HB THR 43 4.511 13.445 1.633 328 HG1 THR 43 1HG THR 43 5.357 13.673 3.665 329 1HG2 THR 43 1HG2 THR 43 2.568 12.750 3.360 330 2HG2 THR 43 2HG2 THR 43 2.377 12.456 1.614 331 3HG2 THR 43 3HG2 THR 43 2.877 11.129 2.691 332 H ASN 44 H ASN 44 6.029 11.473 -0.738 333 HA ASN 44 HA ASN 44 8.453 12.882 -0.100 334 1HB ASN 44 1HB ASN 44 8.392 10.017 -0.616 335 2HB ASN 44 2HB ASN 44 9.211 10.805 -1.950 336 1HD2 ASN 44 1HD2 ASN 44 11.068 12.034 -1.591 337 2HD2 ASN 44 2HD2 ASN 44 12.044 11.861 -0.170 338 H TYR 45 H TYR 45 7.511 14.592 -1.413 339 HA TYR 45 HA TYR 45 6.709 13.923 -4.122 340 1HB TYR 45 1HB TYR 45 6.838 16.441 -2.355 341 2HB TYR 45 2HB TYR 45 6.258 16.497 -4.008 342 HD1 TYR 45 1HD TYR 45 3.989 16.134 -4.466 343 HD2 TYR 45 2HD TYR 45 5.604 14.802 -0.734 344 HE1 TYR 45 1HE TYR 45 1.653 15.540 -3.659 345 HE2 TYR 45 2HE TYR 45 3.262 14.212 0.060 346 HH TYR 45 HH TYR 45 0.826 13.676 -1.756 347 H ASN 46 H ASN 46 7.557 15.182 -5.983 348 HA ASN 46 HA ASN 46 10.017 16.539 -5.605 349 1HB ASN 46 1HB ASN 46 9.964 13.825 -7.019 350 2HB ASN 46 2HB ASN 46 11.277 14.969 -7.206 351 1HD2 ASN 46 1HD2 ASN 46 12.587 15.508 -5.439 352 2HD2 ASN 46 2HD2 ASN 46 12.737 14.484 -4.049 353 H ARG 47 H ARG 47 9.341 18.277 -6.906 354 HA ARG 47 HA ARG 47 7.695 17.835 -9.143 355 1HB ARG 47 1HB ARG 47 8.083 19.972 -7.546 356 2HB ARG 47 2HB ARG 47 9.244 20.405 -8.785 357 1HG ARG 47 1HG ARG 47 7.589 21.078 -10.182 358 2HG ARG 47 2HG ARG 47 6.801 19.517 -10.073 359 1HD ARG 47 1HD ARG 47 6.517 21.621 -7.882 360 2HD ARG 47 2HD ARG 47 5.443 21.573 -9.266 361 HE ARG 47 HE ARG 47 5.373 18.966 -8.342 362 1HH1 ARG 47 2HH2 ARG 47 4.852 22.096 -6.820 363 2HH1 ARG 47 1HH2 ARG 47 3.735 21.483 -5.648 364 1HH2 ARG 47 2HH1 ARG 47 3.898 18.156 -6.795 365 2HH2 ARG 47 1HH1 ARG 47 3.188 19.227 -5.632 366 H GLY 48 H GLY 48 11.184 18.217 -8.545 367 1HA GLY 48 1HA GLY 48 12.348 19.038 -10.775 368 2HA GLY 48 2HA GLY 48 12.896 17.607 -9.925 369 H ASP 49 H ASP 49 10.493 15.971 -10.461 370 HA ASP 49 HA ASP 49 10.588 15.807 -13.355 371 1HB ASP 49 1HB ASP 49 11.979 14.048 -11.649 372 2HB ASP 49 2HB ASP 49 10.513 13.170 -12.036 373 H GLN 50 H GLN 50 8.573 16.831 -11.446 374 HA GLN 50 HA GLN 50 6.549 16.449 -10.624 375 1HB GLN 50 1HB GLN 50 6.344 17.111 -13.082 376 2HB GLN 50 2HB GLN 50 6.057 15.423 -13.450 377 1HG GLN 50 1HG GLN 50 3.860 16.134 -13.178 378 2HG GLN 50 2HG GLN 50 4.206 15.635 -11.535 379 1HE2 GLN 50 1HE2 GLN 50 3.931 17.026 -9.955 380 2HE2 GLN 50 2HE2 GLN 50 3.736 18.741 -10.100 381 H SER 51 H SER 51 7.885 14.412 -9.540 382 HA SER 51 HA SER 51 6.034 12.207 -9.896 383 1HB SER 51 1HB SER 51 7.879 10.564 -9.747 384 2HB SER 51 2HB SER 51 8.058 11.590 -11.156 385 HG SER 51 HG SER 51 9.599 12.892 -9.930 386 H THR 52 H THR 52 5.071 11.876 -7.928 387 HA THR 52 HA THR 52 6.684 12.473 -5.535 388 HB THR 52 HB THR 52 3.742 12.850 -6.237 389 HG1 THR 52 1HG THR 52 5.551 14.483 -6.512 390 1HG2 THR 52 1HG2 THR 52 4.967 13.210 -3.462 391 2HG2 THR 52 2HG2 THR 52 3.252 13.340 -3.923 392 3HG2 THR 52 3HG2 THR 52 4.051 11.749 -3.904 393 H ASP 53 H ASP 53 6.437 11.103 -3.678 394 HA ASP 53 HA ASP 53 5.257 8.531 -4.339 395 1HB ASP 53 1HB ASP 53 8.057 9.126 -3.333 396 2HB ASP 53 2HB ASP 53 7.292 7.606 -2.915 397 H TYR 54 H TYR 54 3.582 8.490 -2.809 398 HA TYR 54 HA TYR 54 4.332 8.651 -0.021 399 1HB TYR 54 1HB TYR 54 2.617 10.414 0.394 400 2HB TYR 54 2HB TYR 54 3.743 11.008 -0.810 401 HD1 TYR 54 1HD TYR 54 0.405 10.948 -0.005 402 HD2 TYR 54 2HD TYR 54 2.967 10.182 -3.345 403 HE1 TYR 54 1HE TYR 54 -1.526 11.394 -1.597 404 HE2 TYR 54 2HE TYR 54 1.026 10.631 -4.927 405 HH TYR 54 HH TYR 54 -1.274 10.687 -4.978 406 H GLY 55 H GLY 55 2.351 8.107 1.400 407 1HA GLY 55 1HA GLY 55 0.082 7.190 1.297 408 2HA GLY 55 2HA GLY 55 0.596 6.235 -0.078 409 H ILE 56 H ILE 56 -0.517 5.168 2.383 410 HA ILE 56 HA ILE 56 1.249 4.332 4.271 411 HB ILE 56 HB ILE 56 -1.176 3.992 4.298 412 1HG1 ILE 56 1HG1 ILE 56 -0.362 1.219 4.703 413 2HG1 ILE 56 2HG1 ILE 56 0.812 2.344 5.356 414 1HG2 ILE 56 1HG2 ILE 56 -1.046 3.056 1.819 415 2HG2 ILE 56 2HG2 ILE 56 -0.948 1.498 2.675 416 3HG2 ILE 56 3HG2 ILE 56 -2.340 2.575 2.942 417 1HD1 ILE 56 1HD1 ILE 56 -0.630 3.141 6.965 418 2HD1 ILE 56 2HD1 ILE 56 -2.050 3.019 5.899 419 3HD1 ILE 56 3HD1 ILE 56 -1.418 1.566 6.710 420 H PHE 57 H PHE 57 0.792 3.090 0.938 421 HA PHE 57 HA PHE 57 2.962 1.193 1.440 422 1HB PHE 57 1HB PHE 57 0.727 1.548 -0.625 423 2HB PHE 57 2HB PHE 57 2.064 0.466 -0.957 424 HD1 PHE 57 1HD PHE 57 -1.160 0.329 -0.128 425 HD2 PHE 57 2HD PHE 57 2.555 -0.944 1.481 426 HE1 PHE 57 1HE PHE 57 -2.331 -1.503 1.126 427 HE2 PHE 57 2HE PHE 57 1.384 -2.777 2.735 428 HZ PHE 57 HZ PHE 57 -1.045 -3.034 2.543 429 H GLN 58 H GLN 58 3.212 4.209 1.021 430 HA GLN 58 HA GLN 58 4.232 5.664 -0.281 431 1HB GLN 58 1HB GLN 58 6.038 4.234 0.894 432 2HB GLN 58 2HB GLN 58 6.304 3.467 -0.660 433 1HG GLN 58 1HG GLN 58 7.358 5.308 -1.538 434 2HG GLN 58 2HG GLN 58 6.235 6.433 -0.800 435 1HE2 GLN 58 1HE2 GLN 58 7.618 7.842 0.076 436 2HE2 GLN 58 2HE2 GLN 58 8.768 7.487 1.322 437 H ILE 59 H ILE 59 2.561 5.579 -2.005 438 HA ILE 59 HA ILE 59 3.367 4.045 -4.352 439 HB ILE 59 HB ILE 59 0.832 5.344 -3.430 440 1HG1 ILE 59 1HG1 ILE 59 1.362 2.591 -4.580 441 2HG1 ILE 59 2HG1 ILE 59 1.443 2.961 -2.869 442 1HG2 ILE 59 1HG2 ILE 59 1.587 4.690 -6.279 443 2HG2 ILE 59 2HG2 ILE 59 -0.103 4.732 -5.721 444 3HG2 ILE 59 3HG2 ILE 59 0.903 6.196 -5.622 445 1HD1 ILE 59 1HD1 ILE 59 -0.784 2.501 -2.825 446 2HD1 ILE 59 2HD1 ILE 59 -1.001 4.086 -3.605 447 3HD1 ILE 59 3HD1 ILE 59 -0.919 2.609 -4.597 448 H ASN 60 H ASN 60 3.646 5.064 -6.426 449 HA ASN 60 HA ASN 60 4.766 7.689 -6.102 450 1HB ASN 60 1HB ASN 60 4.692 6.477 -8.828 451 2HB ASN 60 2HB ASN 60 6.051 7.162 -7.959 452 1HD2 ASN 60 1HD2 ASN 60 4.566 4.370 -9.041 453 2HD2 ASN 60 2HD2 ASN 60 5.449 3.177 -8.148 454 H SER 61 H SER 61 3.856 9.576 -7.054 455 HA SER 61 HA SER 61 1.192 9.223 -8.090 456 1HB SER 61 1HB SER 61 0.873 11.083 -6.849 457 2HB SER 61 2HB SER 61 2.595 11.253 -6.577 458 HG SER 61 HG SER 61 1.544 13.087 -7.709 459 H ARG 62 H ARG 62 4.232 9.094 -9.371 460 HA ARG 62 HA ARG 62 3.751 10.833 -11.594 461 1HB ARG 62 1HB ARG 62 6.050 10.301 -10.428 462 2HB ARG 62 2HB ARG 62 6.025 8.821 -11.365 463 1HG ARG 62 1HG ARG 62 5.408 10.671 -13.318 464 2HG ARG 62 2HG ARG 62 6.434 11.633 -12.272 465 1HD ARG 62 1HD ARG 62 8.325 10.329 -12.681 466 2HD ARG 62 2HD ARG 62 7.399 8.859 -12.918 467 HE ARG 62 HE ARG 62 6.968 10.907 -14.989 468 1HH1 ARG 62 2HH2 ARG 62 8.847 8.098 -14.008 469 2HH1 ARG 62 1HH2 ARG 62 9.343 7.707 -15.621 470 1HH2 ARG 62 2HH1 ARG 62 7.621 10.391 -17.117 471 2HH2 ARG 62 1HH1 ARG 62 8.640 9.019 -17.401 472 H TYR 63 H TYR 63 3.059 7.589 -10.644 473 HA TYR 63 HA TYR 63 2.605 6.851 -13.457 474 1HB TYR 63 1HB TYR 63 4.215 5.688 -11.357 475 2HB TYR 63 2HB TYR 63 2.811 4.649 -11.504 476 HD1 TYR 63 1HD TYR 63 2.490 3.240 -13.438 477 HD2 TYR 63 2HD TYR 63 5.763 5.990 -13.282 478 HE1 TYR 63 1HE TYR 63 3.557 2.096 -15.443 479 HE2 TYR 63 2HE TYR 63 6.819 4.836 -15.287 480 HH TYR 63 HH TYR 63 5.531 3.282 -17.351 481 H TRP 64 H TRP 64 1.668 5.912 -10.065 482 HA TRP 64 HA TRP 64 -1.001 5.315 -11.058 483 1HB TRP 64 1HB TRP 64 0.242 4.887 -8.335 484 2HB TRP 64 2HB TRP 64 -1.354 4.361 -8.828 485 HD1 TRP 64 HD TRP 64 2.299 3.339 -9.075 486 HE1 TRP 64 1HE TRP 64 2.594 0.994 -10.248 487 HE3 TRP 64 3HE TRP 64 -2.509 2.949 -10.679 488 HZ2 TRP 64 2HZ TRP 64 0.824 -0.723 -11.683 489 HZ3 TRP 64 3HZ TRP 64 -3.145 0.907 -11.960 490 HH2 TRP 64 HH TRP 64 -1.567 -0.891 -12.467 491 H CYS 65 H CYS 65 -2.898 6.214 -9.816 492 HA CYS 65 HA CYS 65 -4.074 7.909 -9.071 493 1HB CYS 65 1HB CYS 65 -3.532 8.757 -7.061 494 2HB CYS 65 2HB CYS 65 -2.296 7.515 -7.131 495 H ASN 66 H ASN 66 -4.457 10.265 -9.426 496 HA ASN 66 HA ASN 66 -2.418 11.467 -11.113 497 1HB ASN 66 1HB ASN 66 -4.858 10.453 -12.080 498 2HB ASN 66 2HB ASN 66 -5.200 12.158 -11.873 499 1HD2 ASN 66 1HD2 ASN 66 -5.409 11.833 -14.267 500 2HD2 ASN 66 2HD2 ASN 66 -4.013 12.119 -15.251 501 H ASP 67 H ASP 67 -3.732 13.910 -11.647 502 HA ASP 67 HA ASP 67 -4.465 14.835 -8.982 503 1HB ASP 67 1HB ASP 67 -2.152 15.553 -9.609 504 2HB ASP 67 2HB ASP 67 -2.776 16.285 -11.074 505 H GLY 68 H GLY 68 -4.440 15.494 -12.558 506 1HA GLY 68 1HA GLY 68 -6.487 15.801 -13.730 507 2HA GLY 68 2HA GLY 68 -7.180 16.562 -12.312 508 H LYS 69 H LYS 69 -4.010 17.649 -12.415 509 HA LYS 69 HA LYS 69 -4.660 19.854 -14.232 510 1HB LYS 69 1HB LYS 69 -3.720 20.054 -11.363 511 2HB LYS 69 2HB LYS 69 -3.520 21.362 -12.512 512 1HG LYS 69 1HG LYS 69 -5.829 21.749 -12.698 513 2HG LYS 69 2HG LYS 69 -6.251 20.101 -12.277 514 1HD LYS 69 1HD LYS 69 -5.937 20.466 -9.957 515 2HD LYS 69 2HD LYS 69 -4.893 21.851 -10.211 516 1HE LYS 69 1HE LYS 69 -6.678 23.238 -10.034 517 2HE LYS 69 2HE LYS 69 -7.411 22.485 -11.437 518 1HZ LYS 69 1HZ LYS 69 -8.377 22.362 -8.948 519 2HZ LYS 69 2HZ LYS 69 -8.779 21.333 -10.151 520 3HZ LYS 69 3HZ LYS 69 -7.629 20.915 -9.070 521 H THR 70 H THR 70 -2.907 17.222 -14.008 522 HA THR 70 HA THR 70 -0.483 18.553 -15.009 523 HB THR 70 HB THR 70 -0.807 16.395 -12.893 524 HG1 THR 70 1HG THR 70 0.895 18.726 -13.435 525 1HG2 THR 70 1HG2 THR 70 1.410 16.714 -14.928 526 2HG2 THR 70 2HG2 THR 70 1.858 16.382 -13.238 527 3HG2 THR 70 3HG2 THR 70 0.827 15.235 -14.126 528 HA PRO 71 HA PRO 71 -1.941 15.815 -18.185 529 1HB PRO 71 1HB PRO 71 -1.329 17.441 -20.294 530 2HB PRO 71 2HB PRO 71 -2.893 17.443 -19.506 531 1HG PRO 71 1HG PRO 71 -0.710 19.424 -19.297 532 2HG PRO 71 2HG PRO 71 -2.401 19.607 -18.875 533 1HD PRO 71 1HD PRO 71 -0.213 19.216 -17.062 534 2HD PRO 71 2HD PRO 71 -1.916 19.282 -16.651 535 H ARG 72 H ARG 72 0.060 14.826 -16.981 536 HA ARG 72 HA ARG 72 1.861 14.349 -19.163 537 1HB ARG 72 1HB ARG 72 2.570 16.086 -16.972 538 2HB ARG 72 2HB ARG 72 3.492 14.609 -16.778 539 1HG ARG 72 1HG ARG 72 4.826 15.086 -18.561 540 2HG ARG 72 2HG ARG 72 3.456 15.462 -19.587 541 1HD ARG 72 1HD ARG 72 3.370 17.746 -18.829 542 2HD ARG 72 2HD ARG 72 4.398 17.414 -17.449 543 HE ARG 72 HE ARG 72 5.293 18.071 -20.103 544 1HH1 ARG 72 2HH2 ARG 72 6.101 15.998 -17.376 545 2HH1 ARG 72 1HH2 ARG 72 7.789 15.934 -17.762 546 1HH2 ARG 72 2HH1 ARG 72 7.519 17.985 -20.612 547 2HH2 ARG 72 1HH1 ARG 72 8.601 17.071 -19.615 548 H ALA 73 H ALA 73 1.555 13.819 -15.565 549 HA ALA 73 HA ALA 73 2.636 11.347 -15.384 550 1HB ALA 73 1HB ALA 73 1.876 11.529 -13.268 551 2HB ALA 73 2HB ALA 73 1.152 13.076 -13.769 552 3HB ALA 73 3HB ALA 73 0.180 11.585 -13.803 553 H VAL 74 H VAL 74 1.533 9.171 -15.094 554 HA VAL 74 HA VAL 74 -0.666 8.911 -17.025 555 HB VAL 74 HB VAL 74 1.425 8.167 -18.008 556 1HG1 VAL 74 1HG1 VAL 74 2.072 7.326 -15.421 557 2HG1 VAL 74 2HG1 VAL 74 1.890 5.819 -16.351 558 3HG1 VAL 74 3HG1 VAL 74 3.029 7.072 -16.900 559 1HG2 VAL 74 1HG2 VAL 74 -0.902 6.500 -17.593 560 2HG2 VAL 74 2HG2 VAL 74 0.117 6.685 -19.041 561 3HG2 VAL 74 3HG2 VAL 74 0.553 5.494 -17.793 562 H ASN 75 H ASN 75 -1.637 9.368 -14.668 563 HA ASN 75 HA ASN 75 -1.546 7.673 -12.639 564 1HB ASN 75 1HB ASN 75 -4.104 8.122 -12.407 565 2HB ASN 75 2HB ASN 75 -3.055 9.525 -12.471 566 1HD2 ASN 75 1HD2 ASN 75 -5.875 9.202 -13.170 567 2HD2 ASN 75 2HD2 ASN 75 -6.062 9.719 -14.814 568 H ALA 76 H ALA 76 -1.261 5.424 -13.062 569 HA ALA 76 HA ALA 76 -2.940 4.098 -14.977 570 1HB ALA 76 1HB ALA 76 -1.627 2.119 -14.309 571 2HB ALA 76 2HB ALA 76 -0.562 3.503 -14.653 572 3HB ALA 76 3HB ALA 76 -0.907 3.043 -12.969 573 H CYS 77 H CYS 77 -3.296 5.173 -11.763 574 HA CYS 77 HA CYS 77 -4.942 2.928 -10.976 575 1HB CYS 77 1HB CYS 77 -3.291 4.304 -9.486 576 2HB CYS 77 2HB CYS 77 -4.615 5.445 -9.376 577 H GLY 78 H GLY 78 -5.096 6.255 -12.224 578 1HA GLY 78 1HA GLY 78 -6.804 7.500 -12.984 579 2HA GLY 78 2HA GLY 78 -7.739 6.024 -13.113 580 H ILE 79 H ILE 79 -6.309 7.638 -10.196 581 HA ILE 79 HA ILE 79 -9.022 8.194 -9.274 582 HB ILE 79 HB ILE 79 -8.987 6.833 -7.524 583 1HG1 ILE 79 1HG1 ILE 79 -7.343 8.164 -6.325 584 2HG1 ILE 79 2HG1 ILE 79 -7.076 6.455 -6.043 585 1HG2 ILE 79 1HG2 ILE 79 -6.766 5.612 -9.174 586 2HG2 ILE 79 2HG2 ILE 79 -7.522 4.799 -7.782 587 3HG2 ILE 79 3HG2 ILE 79 -8.503 5.225 -9.204 588 1HD1 ILE 79 1HD1 ILE 79 -5.380 8.427 -7.510 589 2HD1 ILE 79 2HD1 ILE 79 -4.902 7.004 -6.554 590 3HD1 ILE 79 3HD1 ILE 79 -5.473 6.800 -8.227 591 H ASN 80 H ASN 80 -8.871 9.605 -7.179 592 HA ASN 80 HA ASN 80 -7.296 11.812 -7.895 593 1HB ASN 80 1HB ASN 80 -9.107 11.111 -5.558 594 2HB ASN 80 2HB ASN 80 -8.125 12.559 -5.468 595 1HD2 ASN 80 1HD2 ASN 80 -9.762 14.004 -5.563 596 2HD2 ASN 80 2HD2 ASN 80 -10.757 14.283 -6.953 597 H CYS 81 H CYS 81 -5.149 12.176 -7.304 598 HA CYS 81 HA CYS 81 -3.634 10.374 -5.942 599 1HB CYS 81 1HB CYS 81 -3.336 13.191 -6.767 600 2HB CYS 81 2HB CYS 81 -2.287 12.692 -5.453 601 H SER 82 H SER 82 -5.779 12.949 -4.762 602 HA SER 82 HA SER 82 -4.743 13.238 -2.227 603 1HB SER 82 1HB SER 82 -6.697 14.439 -1.752 604 2HB SER 82 2HB SER 82 -6.629 14.544 -3.500 605 HG SER 82 HG SER 82 -8.463 13.451 -3.640 606 H ALA 83 H ALA 83 -6.519 10.612 -3.728 607 HA ALA 83 HA ALA 83 -7.684 9.514 -1.414 608 1HB ALA 83 1HB ALA 83 -8.412 7.895 -2.858 609 2HB ALA 83 2HB ALA 83 -7.895 9.083 -4.079 610 3HB ALA 83 3HB ALA 83 -6.823 7.729 -3.643 611 H LEU 84 H LEU 84 -4.425 9.953 -2.311 612 HA LEU 84 HA LEU 84 -3.582 7.585 -0.808 613 1HB LEU 84 1HB LEU 84 -1.889 9.441 -2.480 614 2HB LEU 84 2HB LEU 84 -1.431 7.888 -1.810 615 HG LEU 84 HG LEU 84 -3.316 8.454 -4.098 616 1HD1 LEU 84 1HD1 LEU 84 -1.174 8.321 -4.956 617 2HD1 LEU 84 2HD1 LEU 84 -0.658 7.094 -3.773 618 3HD1 LEU 84 3HD1 LEU 84 -1.742 6.641 -5.110 619 1HD2 LEU 84 1HD2 LEU 84 -2.904 5.718 -2.879 620 2HD2 LEU 84 2HD2 LEU 84 -4.291 6.764 -2.488 621 3HD2 LEU 84 3HD2 LEU 84 -4.043 6.203 -4.160 622 H LEU 85 H LEU 85 -4.635 10.565 -0.092 623 HA LEU 85 HA LEU 85 -2.854 10.731 2.194 624 1HB LEU 85 1HB LEU 85 -2.081 12.209 0.188 625 2HB LEU 85 2HB LEU 85 -3.415 13.243 0.660 626 HG LEU 85 HG LEU 85 -2.372 13.216 3.019 627 1HD1 LEU 85 1HD1 LEU 85 -0.536 12.032 3.387 628 2HD1 LEU 85 2HD1 LEU 85 -0.566 11.458 1.702 629 3HD1 LEU 85 3HD1 LEU 85 0.325 12.941 2.121 630 1HD2 LEU 85 1HD2 LEU 85 -1.532 14.707 0.600 631 2HD2 LEU 85 2HD2 LEU 85 -2.202 15.289 2.143 632 3HD2 LEU 85 3HD2 LEU 85 -0.479 14.858 2.027 633 H GLN 86 H GLN 86 -5.766 10.051 1.286 634 HA GLN 86 HA GLN 86 -7.184 12.099 2.730 635 1HB GLN 86 1HB GLN 86 -8.056 9.663 1.135 636 2HB GLN 86 2HB GLN 86 -9.196 10.600 2.081 637 1HG GLN 86 1HG GLN 86 -7.579 12.432 0.526 638 2HG GLN 86 2HG GLN 86 -8.171 11.178 -0.544 639 1HE2 GLN 86 1HE2 GLN 86 -9.903 11.823 -1.556 640 2HE2 GLN 86 2HE2 GLN 86 -11.254 12.681 -0.893 641 H ASP 87 H ASP 87 -9.243 10.707 3.983 642 HA ASP 87 HA ASP 87 -7.846 9.730 6.245 643 1HB ASP 87 1HB ASP 87 -9.875 11.067 6.534 644 2HB ASP 87 2HB ASP 87 -10.806 9.961 5.544 645 H ASP 88 H ASP 88 -10.685 8.365 4.399 646 HA ASP 88 HA ASP 88 -10.374 5.804 5.278 647 1HB ASP 88 1HB ASP 88 -11.484 6.880 2.648 648 2HB ASP 88 2HB ASP 88 -11.649 5.203 3.126 649 H ILE 89 H ILE 89 -9.271 3.935 4.398 650 HA ILE 89 HA ILE 89 -7.092 4.626 2.588 651 HB ILE 89 HB ILE 89 -5.995 2.689 3.395 652 1HG1 ILE 89 1HG1 ILE 89 -8.297 1.891 5.152 653 2HG1 ILE 89 2HG1 ILE 89 -8.279 1.386 3.474 654 1HG2 ILE 89 1HG2 ILE 89 -6.918 3.344 6.047 655 2HG2 ILE 89 2HG2 ILE 89 -5.381 3.746 5.247 656 3HG2 ILE 89 3HG2 ILE 89 -6.791 4.815 5.054 657 1HD1 ILE 89 1HD1 ILE 89 -6.805 0.278 5.686 658 2HD1 ILE 89 2HD1 ILE 89 -6.834 -0.273 3.994 659 3HD1 ILE 89 3HD1 ILE 89 -5.638 0.940 4.514 660 H THR 90 H THR 90 -10.244 3.669 2.322 661 HA THR 90 HA THR 90 -10.381 1.400 0.854 662 HB THR 90 HB THR 90 -12.285 2.884 1.550 663 HG1 THR 90 1HG THR 90 -12.019 2.531 -1.349 664 1HG2 THR 90 1HG2 THR 90 -12.887 4.694 -0.181 665 2HG2 THR 90 2HG2 THR 90 -11.550 5.114 0.916 666 3HG2 THR 90 3HG2 THR 90 -11.204 4.587 -0.748 667 H ALA 91 H ALA 91 -9.090 4.560 -0.210 668 HA ALA 91 HA ALA 91 -8.881 3.745 -2.931 669 1HB ALA 91 1HB ALA 91 -7.119 5.906 -1.929 670 2HB ALA 91 2HB ALA 91 -8.304 5.919 -3.256 671 3HB ALA 91 3HB ALA 91 -8.849 6.131 -1.575 672 H ALA 92 H ALA 92 -6.681 3.893 -0.073 673 HA ALA 92 HA ALA 92 -4.336 3.229 -1.386 674 1HB ALA 92 1HB ALA 92 -5.155 2.389 1.419 675 2HB ALA 92 2HB ALA 92 -3.511 2.694 0.812 676 3HB ALA 92 3HB ALA 92 -4.657 4.043 0.993 677 H ILE 93 H ILE 93 -7.009 1.184 -0.108 678 HA ILE 93 HA ILE 93 -5.638 -1.246 -0.668 679 HB ILE 93 HB ILE 93 -8.586 -0.807 -0.212 680 1HG1 ILE 93 1HG1 ILE 93 -6.323 -1.013 1.789 681 2HG1 ILE 93 2HG1 ILE 93 -7.451 0.312 1.581 682 1HG2 ILE 93 1HG2 ILE 93 -8.708 -3.008 -0.467 683 2HG2 ILE 93 2HG2 ILE 93 -6.941 -3.138 -0.642 684 3HG2 ILE 93 3HG2 ILE 93 -7.681 -3.188 0.976 685 1HD1 ILE 93 1HD1 ILE 93 -9.060 -2.009 1.945 686 2HD1 ILE 93 2HD1 ILE 93 -7.759 -2.105 3.157 687 3HD1 ILE 93 3HD1 ILE 93 -8.814 -0.673 3.095 688 H GLN 94 H GLN 94 -8.394 0.534 -2.226 689 HA GLN 94 HA GLN 94 -8.730 -1.203 -4.305 690 1HB GLN 94 1HB GLN 94 -10.128 0.860 -3.589 691 2HB GLN 94 2HB GLN 94 -9.034 1.810 -4.572 692 1HG GLN 94 1HG GLN 94 -10.113 1.192 -6.468 693 2HG GLN 94 2HG GLN 94 -9.865 -0.504 -6.106 694 1HE2 GLN 94 1HE2 GLN 94 -12.153 1.384 -7.028 695 2HE2 GLN 94 2HE2 GLN 94 -13.533 0.846 -6.130 696 H CYS 95 H CYS 95 -6.479 1.599 -3.976 697 HA CYS 95 HA CYS 95 -5.529 1.408 -6.625 698 1HB CYS 95 1HB CYS 95 -5.415 3.345 -4.834 699 2HB CYS 95 2HB CYS 95 -3.887 2.593 -4.421 700 H ALA 96 H ALA 96 -4.479 0.183 -3.389 701 HA ALA 96 HA ALA 96 -2.034 -0.857 -4.066 702 1HB ALA 96 1HB ALA 96 -2.734 -2.599 -2.221 703 2HB ALA 96 2HB ALA 96 -2.569 -0.879 -1.794 704 3HB ALA 96 3HB ALA 96 -4.183 -1.576 -2.075 705 H LYS 97 H LYS 97 -5.326 -2.305 -4.443 706 HA LYS 97 HA LYS 97 -4.289 -4.724 -5.523 707 1HB LYS 97 1HB LYS 97 -6.646 -5.245 -5.957 708 2HB LYS 97 2HB LYS 97 -6.391 -4.695 -4.313 709 1HG LYS 97 1HG LYS 97 -7.258 -2.479 -4.825 710 2HG LYS 97 2HG LYS 97 -7.260 -2.809 -6.547 711 1HD LYS 97 1HD LYS 97 -8.835 -4.877 -5.680 712 2HD LYS 97 2HD LYS 97 -9.197 -3.692 -4.440 713 1HE LYS 97 1HE LYS 97 -10.590 -2.624 -5.874 714 2HE LYS 97 2HE LYS 97 -9.233 -2.279 -6.930 715 1HZ LYS 97 1HZ LYS 97 -10.360 -4.944 -7.035 716 2HZ LYS 97 2HZ LYS 97 -11.228 -3.733 -7.705 717 3HZ LYS 97 3HZ LYS 97 -9.714 -4.042 -8.233 718 H ARG 98 H ARG 98 -5.706 -1.685 -6.856 719 HA ARG 98 HA ARG 98 -5.779 -2.535 -9.470 720 1HB ARG 98 1HB ARG 98 -6.852 -0.442 -8.540 721 2HB ARG 98 2HB ARG 98 -5.267 0.298 -8.430 722 1HG ARG 98 1HG ARG 98 -6.034 1.100 -10.504 723 2HG ARG 98 2HG ARG 98 -5.058 -0.273 -10.986 724 1HD ARG 98 1HD ARG 98 -7.183 -1.693 -10.965 725 2HD ARG 98 2HD ARG 98 -8.098 -0.226 -10.681 726 HE ARG 98 HE ARG 98 -6.292 -0.069 -12.994 727 1HH1 ARG 98 2HH2 ARG 98 -9.518 -0.927 -11.881 728 2HH1 ARG 98 1HH2 ARG 98 -10.241 -0.757 -13.446 729 1HH2 ARG 98 2HH1 ARG 98 -7.245 0.154 -15.059 730 2HH2 ARG 98 1HH1 ARG 98 -8.940 -0.139 -15.266 731 H VAL 99 H VAL 99 -3.117 -1.471 -7.401 732 HA VAL 99 HA VAL 99 -1.351 -0.947 -9.618 733 HB VAL 99 HB VAL 99 -1.143 -0.916 -6.621 734 1HG1 VAL 99 1HG1 VAL 99 1.147 -0.654 -8.596 735 2HG1 VAL 99 2HG1 VAL 99 1.230 -0.197 -6.877 736 3HG1 VAL 99 3HG1 VAL 99 0.952 -1.895 -7.335 737 1HG2 VAL 99 1HG2 VAL 99 -1.611 1.018 -8.716 738 2HG2 VAL 99 2HG2 VAL 99 -1.692 1.221 -6.950 739 3HG2 VAL 99 3HG2 VAL 99 -0.145 1.443 -7.802 740 H VAL 100 H VAL 100 -1.537 -3.357 -6.900 741 HA VAL 100 HA VAL 100 0.534 -4.957 -7.768 742 HB VAL 100 HB VAL 100 -1.959 -5.431 -6.157 743 1HG1 VAL 100 1HG1 VAL 100 -1.390 -7.545 -7.350 744 2HG1 VAL 100 2HG1 VAL 100 0.231 -7.483 -6.617 745 3HG1 VAL 100 3HG1 VAL 100 -1.207 -7.659 -5.584 746 1HG2 VAL 100 1HG2 VAL 100 -0.268 -5.710 -4.329 747 2HG2 VAL 100 2HG2 VAL 100 0.999 -5.262 -5.497 748 3HG2 VAL 100 3HG2 VAL 100 -0.276 -4.094 -5.073 749 H ARG 101 H ARG 101 -2.800 -4.626 -8.939 750 HA ARG 101 HA ARG 101 -3.207 -6.973 -10.158 751 1HB ARG 101 1HB ARG 101 -4.546 -4.650 -10.140 752 2HB ARG 101 2HB ARG 101 -3.795 -4.437 -11.709 753 1HG ARG 101 1HG ARG 101 -4.995 -6.172 -12.685 754 2HG ARG 101 2HG ARG 101 -5.062 -7.109 -11.205 755 1HD ARG 101 1HD ARG 101 -7.096 -6.248 -10.656 756 2HD ARG 101 2HD ARG 101 -6.525 -4.603 -10.859 757 HE ARG 101 HE ARG 101 -7.356 -4.585 -13.067 758 1HH1 ARG 101 2HH2 ARG 101 -7.467 -7.848 -11.756 759 2HH1 ARG 101 1HH2 ARG 101 -8.436 -8.473 -13.049 760 1HH2 ARG 101 2HH1 ARG 101 -8.635 -5.408 -14.774 761 2HH2 ARG 101 1HH1 ARG 101 -9.104 -7.075 -14.777 762 H ASP 102 H ASP 102 -0.757 -4.575 -10.889 763 HA ASP 102 HA ASP 102 -0.370 -4.991 -13.561 764 1HB ASP 102 1HB ASP 102 1.546 -3.749 -13.249 765 2HB ASP 102 2HB ASP 102 0.820 -3.459 -11.681 766 HA PRO 103 HA PRO 103 1.765 -8.828 -13.769 767 1HB PRO 103 1HB PRO 103 3.962 -8.418 -15.343 768 2HB PRO 103 2HB PRO 103 2.341 -8.593 -15.986 769 1HG PRO 103 1HG PRO 103 3.964 -6.140 -15.696 770 2HG PRO 103 2HG PRO 103 2.554 -6.410 -16.700 771 1HD PRO 103 1HD PRO 103 2.644 -4.976 -14.217 772 2HD PRO 103 2HD PRO 103 1.216 -5.346 -15.162 773 H GLN 104 H GLN 104 3.887 -6.231 -12.818 774 HA GLN 104 HA GLN 104 5.938 -7.787 -11.875 775 1HB GLN 104 1HB GLN 104 4.954 -5.156 -10.689 776 2HB GLN 104 2HB GLN 104 6.570 -5.820 -10.538 777 1HG GLN 104 1HG GLN 104 5.681 -5.636 -13.353 778 2HG GLN 104 2HG GLN 104 5.688 -4.078 -12.549 779 1HE2 GLN 104 1HE2 GLN 104 7.509 -3.007 -12.461 780 2HE2 GLN 104 2HE2 GLN 104 9.108 -3.639 -12.672 781 H GLY 105 H GLY 105 3.243 -6.291 -9.930 782 1HA GLY 105 1HA GLY 105 1.998 -7.347 -8.301 783 2HA GLY 105 2HA GLY 105 3.108 -8.702 -8.297 784 H ILE 106 H ILE 106 2.563 -8.080 -5.831 785 HA ILE 106 HA ILE 106 3.529 -5.945 -4.534 786 HB ILE 106 HB ILE 106 3.397 -8.850 -3.857 787 1HG1 ILE 106 1HG1 ILE 106 1.410 -7.236 -3.946 788 2HG1 ILE 106 2HG1 ILE 106 1.585 -8.238 -2.520 789 1HG2 ILE 106 1HG2 ILE 106 3.946 -7.965 -1.435 790 2HG2 ILE 106 2HG2 ILE 106 5.238 -8.491 -2.541 791 3HG2 ILE 106 3HG2 ILE 106 4.896 -6.756 -2.333 792 1HD1 ILE 106 1HD1 ILE 106 2.347 -5.302 -2.807 793 2HD1 ILE 106 2HD1 ILE 106 1.093 -6.000 -1.754 794 3HD1 ILE 106 3HD1 ILE 106 2.813 -6.296 -1.405 795 H ARG 107 H ARG 107 5.403 -8.438 -6.209 796 HA ARG 107 HA ARG 107 7.782 -8.378 -5.105 797 1HB ARG 107 1HB ARG 107 6.960 -9.335 -7.422 798 2HB ARG 107 2HB ARG 107 7.575 -7.838 -8.094 799 1HG ARG 107 1HG ARG 107 9.753 -8.489 -7.864 800 2HG ARG 107 2HG ARG 107 9.498 -9.092 -6.238 801 1HD ARG 107 1HD ARG 107 8.682 -11.220 -7.041 802 2HD ARG 107 2HD ARG 107 8.489 -10.618 -8.676 803 HE ARG 107 HE ARG 107 11.199 -10.249 -8.140 804 1HH1 ARG 107 2HH2 ARG 107 9.005 -13.000 -8.082 805 2HH1 ARG 107 1HH2 ARG 107 10.239 -14.154 -8.465 806 1HH2 ARG 107 2HH1 ARG 107 12.826 -11.771 -8.646 807 2HH2 ARG 107 1HH1 ARG 107 12.426 -13.450 -8.789 808 H ALA 108 H ALA 108 6.289 -5.707 -6.989 809 HA ALA 108 HA ALA 108 8.339 -4.063 -7.521 810 1HB ALA 108 1HB ALA 108 6.559 -2.236 -6.699 811 2HB ALA 108 2HB ALA 108 6.296 -3.213 -8.164 812 3HB ALA 108 3HB ALA 108 5.503 -3.668 -6.636 813 H TRP 109 H TRP 109 6.932 -4.777 -4.301 814 HA TRP 109 HA TRP 109 8.806 -2.898 -3.087 815 1HB TRP 109 1HB TRP 109 6.527 -4.485 -1.894 816 2HB TRP 109 2HB TRP 109 7.549 -3.362 -1.020 817 HD1 TRP 109 HD TRP 109 7.247 -0.681 -1.706 818 HE1 TRP 109 1HE TRP 109 5.215 0.711 -2.654 819 HE3 TRP 109 3HE TRP 109 4.607 -4.688 -3.389 820 HZ2 TRP 109 2HZ TRP 109 2.787 -0.004 -3.972 821 HZ3 TRP 109 3HZ TRP 109 2.415 -4.254 -4.494 822 HH2 TRP 109 HH TRP 109 1.498 -2.009 -4.797 823 H VAL 110 H VAL 110 10.524 -4.484 -4.051 824 HA VAL 110 HA VAL 110 10.831 -7.066 -3.231 825 HB VAL 110 HB VAL 110 12.196 -5.898 -4.892 826 1HG1 VAL 110 1HG1 VAL 110 14.184 -4.556 -4.014 827 2HG1 VAL 110 2HG1 VAL 110 12.592 -3.761 -3.950 828 3HG1 VAL 110 3HG1 VAL 110 13.301 -4.454 -2.472 829 1HG2 VAL 110 1HG2 VAL 110 13.635 -7.276 -2.615 830 2HG2 VAL 110 2HG2 VAL 110 13.093 -7.964 -4.165 831 3HG2 VAL 110 3HG2 VAL 110 14.453 -6.817 -4.127 832 H ALA 111 H ALA 111 10.980 -4.122 -1.335 833 HA ALA 111 HA ALA 111 12.671 -4.795 0.702 834 1HB ALA 111 1HB ALA 111 11.135 -2.694 0.183 835 2HB ALA 111 2HB ALA 111 10.024 -3.503 1.314 836 3HB ALA 111 3HB ALA 111 11.660 -3.049 1.846 837 H TRP 112 H TRP 112 9.273 -5.843 0.120 838 HA TRP 112 HA TRP 112 8.972 -7.162 2.584 839 1HB TRP 112 1HB TRP 112 6.909 -7.092 1.803 840 2HB TRP 112 2HB TRP 112 7.463 -6.730 0.181 841 HD1 TRP 112 HD TRP 112 5.829 -9.472 2.127 842 HE1 TRP 112 1HE TRP 112 5.531 -11.689 0.729 843 HE3 TRP 112 3HE TRP 112 8.886 -8.095 -1.696 844 HZ2 TRP 112 2HZ TRP 112 6.583 -12.600 -1.763 845 HZ3 TRP 112 3HZ TRP 112 9.197 -9.708 -3.573 846 HH2 TRP 112 HH TRP 112 8.105 -11.892 -3.645 847 H ARG 113 H ARG 113 10.495 -7.953 -0.533 848 HA ARG 113 HA ARG 113 10.561 -10.707 -0.153 849 1HB ARG 113 1HB ARG 113 11.031 -9.265 -2.295 850 2HB ARG 113 2HB ARG 113 12.669 -9.129 -1.686 851 1HG ARG 113 1HG ARG 113 12.715 -11.694 -1.534 852 2HG ARG 113 2HG ARG 113 11.187 -11.701 -2.391 853 1HD ARG 113 1HD ARG 113 12.155 -10.742 -4.369 854 2HD ARG 113 2HD ARG 113 13.589 -10.210 -3.514 855 HE ARG 113 HE ARG 113 13.408 -13.054 -3.268 856 1HH1 ARG 113 2HH2 ARG 113 14.026 -10.601 -5.714 857 2HH1 ARG 113 1HH2 ARG 113 15.009 -11.639 -6.690 858 1HH2 ARG 113 2HH1 ARG 113 14.705 -14.424 -4.555 859 2HH2 ARG 113 1HH1 ARG 113 15.398 -13.829 -6.027 860 H ALA 114 H ALA 114 12.207 -8.115 1.416 861 HA ALA 114 HA ALA 114 14.205 -10.008 2.449 862 1HB ALA 114 1HB ALA 114 15.393 -8.477 1.037 863 2HB ALA 114 2HB ALA 114 14.497 -7.082 1.685 864 3HB ALA 114 3HB ALA 114 15.670 -7.941 2.712 865 H HIS 115 H HIS 115 11.457 -9.451 3.385 866 HA HIS 115 HA HIS 115 12.192 -8.705 6.068 867 1HB HIS 115 1HB HIS 115 11.130 -6.744 4.393 868 2HB HIS 115 2HB HIS 115 9.745 -7.305 5.307 869 HD1 HIS 115 1HD HIS 115 9.378 -5.770 7.233 870 HD2 HIS 115 2HD HIS 115 13.456 -6.479 6.549 871 HE1 HIS 115 1HE HIS 115 10.640 -4.503 9.053 872 HE2 HIS 115 2HE HIS 115 13.136 -5.020 8.614 873 H CYS 116 H CYS 116 9.633 -9.654 3.703 874 HA CYS 116 HA CYS 116 8.193 -11.003 5.810 875 1HB CYS 116 1HB CYS 116 7.555 -9.908 3.242 876 2HB CYS 116 2HB CYS 116 7.123 -11.607 3.244 877 H GLN 117 H GLN 117 9.780 -11.777 2.624 878 HA GLN 117 HA GLN 117 9.555 -14.533 2.975 879 1HB GLN 117 1HB GLN 117 10.093 -13.003 0.852 880 2HB GLN 117 2HB GLN 117 11.755 -13.328 1.300 881 1HG GLN 117 1HG GLN 117 11.602 -15.340 0.268 882 2HG GLN 117 2HG GLN 117 10.437 -15.840 1.479 883 1HE2 GLN 117 1HE2 GLN 117 10.940 -15.678 -1.698 884 2HE2 GLN 117 2HE2 GLN 117 9.332 -15.506 -2.318 885 H ASN 118 H ASN 118 11.433 -12.259 4.643 886 HA ASN 118 HA ASN 118 13.838 -13.662 4.850 887 1HB ASN 118 1HB ASN 118 13.204 -11.175 5.502 888 2HB ASN 118 2HB ASN 118 12.717 -11.863 7.038 889 1HD2 ASN 118 1HD2 ASN 118 14.211 -12.709 8.440 890 2HD2 ASN 118 2HD2 ASN 118 15.920 -12.472 8.286 891 H ARG 119 H ARG 119 11.183 -13.101 7.300 892 HA ARG 119 HA ARG 119 11.711 -15.798 8.254 893 1HB ARG 119 1HB ARG 119 12.442 -13.621 9.700 894 2HB ARG 119 2HB ARG 119 10.764 -13.698 10.203 895 1HG ARG 119 1HG ARG 119 11.127 -15.533 11.506 896 2HG ARG 119 2HG ARG 119 12.007 -16.361 10.237 897 1HD ARG 119 1HD ARG 119 13.846 -14.430 10.926 898 2HD ARG 119 2HD ARG 119 13.046 -14.663 12.468 899 HE ARG 119 HE ARG 119 13.550 -17.250 11.453 900 1HH1 ARG 119 2HH2 ARG 119 15.431 -14.445 12.438 901 2HH1 ARG 119 1HH2 ARG 119 16.810 -15.377 12.916 902 1HH2 ARG 119 2HH1 ARG 119 15.369 -18.482 12.084 903 2HH2 ARG 119 1HH1 ARG 119 16.775 -17.689 12.713 904 H ASP 120 H ASP 120 9.667 -16.002 10.172 905 HA ASP 120 HA ASP 120 7.400 -16.066 8.438 906 1HB ASP 120 1HB ASP 120 8.069 -17.899 10.096 907 2HB ASP 120 2HB ASP 120 7.591 -16.819 11.390 908 H LEU 121 H LEU 121 6.411 -14.023 8.214 909 HA LEU 121 HA LEU 121 6.200 -12.336 10.571 910 1HB LEU 121 1HB LEU 121 6.977 -11.579 8.253 911 2HB LEU 121 2HB LEU 121 5.296 -11.695 7.774 912 HG LEU 121 HG LEU 121 5.766 -10.124 10.233 913 1HD1 LEU 121 1HD1 LEU 121 6.390 -8.131 8.613 914 2HD1 LEU 121 2HD1 LEU 121 7.640 -9.171 9.336 915 3HD1 LEU 121 3HD1 LEU 121 7.119 -9.444 7.657 916 1HD2 LEU 121 1HD2 LEU 121 3.976 -10.120 7.864 917 2HD2 LEU 121 2HD2 LEU 121 3.614 -9.855 9.586 918 3HD2 LEU 121 3HD2 LEU 121 4.321 -8.543 8.613 919 H SER 122 H SER 122 4.665 -14.998 9.865 920 HA SER 122 HA SER 122 2.005 -14.148 9.532 921 1HB SER 122 1HB SER 122 3.409 -16.731 10.159 922 2HB SER 122 2HB SER 122 1.698 -16.641 10.527 923 HG SER 122 HG SER 122 2.932 -16.929 8.088 924 H GLN 123 H GLN 123 4.199 -14.610 12.274 925 HA GLN 123 HA GLN 123 2.193 -14.842 14.224 926 1HB GLN 123 1HB GLN 123 4.541 -15.594 14.554 927 2HB GLN 123 2HB GLN 123 5.094 -13.933 14.478 928 1HG GLN 123 1HG GLN 123 4.637 -13.642 16.678 929 2HG GLN 123 2HG GLN 123 2.956 -14.063 16.416 930 1HE2 GLN 123 1HE2 GLN 123 2.335 -16.293 16.443 931 2HE2 GLN 123 2HE2 GLN 123 3.204 -17.449 17.396 932 H TYR 124 H TYR 124 3.197 -12.239 12.249 933 HA TYR 124 HA TYR 124 2.852 -10.140 14.155 934 1HB TYR 124 1HB TYR 124 3.949 -10.547 11.609 935 2HB TYR 124 2HB TYR 124 2.451 -9.739 11.196 936 HD1 TYR 124 1HD TYR 124 5.380 -9.366 13.511 937 HD2 TYR 124 2HD TYR 124 2.406 -7.410 11.137 938 HE1 TYR 124 1HE TYR 124 6.447 -7.114 14.015 939 HE2 TYR 124 2HE TYR 124 3.484 -5.165 11.648 940 HH TYR 124 HH TYR 124 5.382 -4.209 12.384 941 H ILE 125 H ILE 125 0.797 -11.908 11.825 942 HA ILE 125 HA ILE 125 -1.376 -10.034 12.306 943 HB ILE 125 HB ILE 125 -2.541 -11.447 10.602 944 1HG1 ILE 125 1HG1 ILE 125 0.160 -12.681 10.050 945 2HG1 ILE 125 2HG1 ILE 125 -1.016 -13.464 11.088 946 1HG2 ILE 125 1HG2 ILE 125 -0.992 -10.654 8.704 947 2HG2 ILE 125 2HG2 ILE 125 -1.672 -9.434 9.807 948 3HG2 ILE 125 3HG2 ILE 125 0.015 -9.968 10.002 949 1HD1 ILE 125 1HD1 ILE 125 -1.573 -12.566 8.223 950 2HD1 ILE 125 2HD1 ILE 125 -1.177 -14.231 8.711 951 3HD1 ILE 125 3HD1 ILE 125 -2.684 -13.473 9.276 952 H ARG 126 H ARG 126 -0.359 -13.421 12.933 953 HA ARG 126 HA ARG 126 -2.808 -14.160 14.052 954 1HB ARG 126 1HB ARG 126 -1.049 -15.758 13.198 955 2HB ARG 126 2HB ARG 126 -0.022 -15.327 14.549 956 1HG ARG 126 1HG ARG 126 -2.685 -16.047 15.511 957 2HG ARG 126 2HG ARG 126 -2.050 -17.323 14.492 958 1HD ARG 126 1HD ARG 126 0.138 -17.146 15.868 959 2HD ARG 126 2HD ARG 126 -0.757 -16.135 16.986 960 HE ARG 126 HE ARG 126 -1.969 -18.021 17.719 961 1HH1 ARG 126 2HH2 ARG 126 -0.138 -18.817 14.822 962 2HH1 ARG 126 1HH2 ARG 126 -0.428 -20.520 14.952 963 1HH2 ARG 126 2HH1 ARG 126 -2.353 -20.266 17.892 964 2HH2 ARG 126 1HH1 ARG 126 -1.696 -21.350 16.710 965 H ASN 127 H ASN 127 -3.588 -12.939 15.782 966 HA ASN 127 HA ASN 127 -2.779 -13.314 18.277 967 1HB ASN 127 1HB ASN 127 -0.877 -11.549 16.974 968 2HB ASN 127 2HB ASN 127 -1.742 -10.617 18.180 969 1HD2 ASN 127 1HD2 ASN 127 0.200 -10.460 19.353 970 2HD2 ASN 127 2HD2 ASN 127 0.778 -11.749 20.355 971 H CYS 128 H CYS 128 -3.947 -11.119 15.755 972 HA CYS 128 HA CYS 128 -5.351 -9.364 17.475 973 1HB CYS 128 1HB CYS 128 -4.622 -9.340 14.831 974 2HB CYS 128 2HB CYS 128 -6.344 -9.651 14.721 975 H GLY 129 H GLY 129 -5.858 -12.568 16.102 976 1HA GLY 129 1HA GLY 129 -7.475 -13.999 17.079 977 2HA GLY 129 2HA GLY 129 -8.541 -12.629 17.322 978 H VAL 130 H VAL 130 -6.683 -13.051 14.304 979 HA VAL 130 HA VAL 130 -9.202 -13.220 12.873 980 HB VAL 130 HB VAL 130 -7.008 -11.752 12.448 981 1HG1 VAL 130 1HG1 VAL 130 -5.623 -12.659 10.684 982 2HG1 VAL 130 2HG1 VAL 130 -5.597 -13.774 12.070 983 3HG1 VAL 130 3HG1 VAL 130 -6.587 -14.154 10.640 984 1HG2 VAL 130 1HG2 VAL 130 -8.796 -11.147 11.155 985 2HG2 VAL 130 2HG2 VAL 130 -7.783 -11.903 9.901 986 3HG2 VAL 130 3HG2 VAL 130 -9.127 -12.815 10.629 Start of MODEL 10 1 H LYS 1 H LYS 1 -1.952 8.856 8.830 2 HA LYS 1 HA LYS 1 -3.936 9.170 10.888 3 1HB LYS 1 1HB LYS 1 -4.562 7.853 8.306 4 2HB LYS 1 2HB LYS 1 -5.003 6.946 9.738 5 1HG LYS 1 1HG LYS 1 -5.702 9.895 9.501 6 2HG LYS 1 2HG LYS 1 -6.721 8.675 8.761 7 1HD LYS 1 1HD LYS 1 -7.175 7.619 10.894 8 2HD LYS 1 2HD LYS 1 -5.912 8.531 11.696 9 1HE LYS 1 1HE LYS 1 -7.155 10.602 11.514 10 2HE LYS 1 2HE LYS 1 -8.293 9.905 10.377 11 1HZ LYS 1 1HZ LYS 1 -9.046 10.058 12.727 12 2HZ LYS 1 2HZ LYS 1 -9.199 8.576 12.057 13 3HZ LYS 1 3HZ LYS 1 -7.983 8.877 13.105 14 H VAL 2 H VAL 2 -4.324 6.561 11.632 15 HA VAL 2 HA VAL 2 -1.577 5.543 11.873 16 HB VAL 2 HB VAL 2 -3.769 5.746 13.942 17 1HG1 VAL 2 1HG1 VAL 2 -2.602 3.534 14.016 18 2HG1 VAL 2 2HG1 VAL 2 -1.066 4.400 14.260 19 3HG1 VAL 2 3HG1 VAL 2 -2.361 4.525 15.475 20 1HG2 VAL 2 1HG2 VAL 2 -1.746 6.869 15.171 21 2HG2 VAL 2 2HG2 VAL 2 -1.107 7.083 13.524 22 3HG2 VAL 2 3HG2 VAL 2 -2.678 7.792 13.968 23 H TYR 3 H TYR 3 -1.286 3.337 11.571 24 HA TYR 3 HA TYR 3 -3.593 1.611 11.483 25 1HB TYR 3 1HB TYR 3 -2.059 2.729 9.121 26 2HB TYR 3 2HB TYR 3 -2.421 1.016 9.044 27 HD1 TYR 3 1HD TYR 3 -4.571 0.253 8.408 28 HD2 TYR 3 2HD TYR 3 -4.000 4.373 9.407 29 HE1 TYR 3 1HE TYR 3 -6.903 0.791 7.549 30 HE2 TYR 3 2HE TYR 3 -6.334 4.897 8.545 31 HH TYR 3 HH TYR 3 -8.499 2.313 7.519 32 H GLU 4 H GLU 4 -2.813 0.042 12.825 33 HA GLU 4 HA GLU 4 -0.044 -0.742 12.419 34 1HB GLU 4 1HB GLU 4 -0.198 -1.772 14.655 35 2HB GLU 4 2HB GLU 4 -0.671 -0.085 14.718 36 1HG GLU 4 1HG GLU 4 -3.072 -1.472 14.142 37 2HG GLU 4 2HG GLU 4 -2.257 -2.479 15.323 38 H ARG 5 H ARG 5 0.213 -3.286 13.080 39 HA ARG 5 HA ARG 5 -0.636 -4.709 10.998 40 1HB ARG 5 1HB ARG 5 -0.488 -6.733 12.756 41 2HB ARG 5 2HB ARG 5 0.947 -5.850 12.274 42 1HG ARG 5 1HG ARG 5 -0.400 -4.478 14.481 43 2HG ARG 5 2HG ARG 5 -0.082 -6.149 14.906 44 1HD ARG 5 1HD ARG 5 2.308 -5.407 13.683 45 2HD ARG 5 2HD ARG 5 1.831 -3.918 14.474 46 HE ARG 5 HE ARG 5 2.828 -6.269 15.781 47 1HH1 ARG 5 2HH2 ARG 5 0.382 -3.771 16.184 48 2HH1 ARG 5 1HH2 ARG 5 0.366 -3.885 17.912 49 1HH2 ARG 5 2HH1 ARG 5 2.807 -6.420 18.061 50 2HH2 ARG 5 1HH1 ARG 5 1.755 -5.402 18.987 51 H CYS 6 H CYS 6 -2.282 -4.430 14.220 52 HA CYS 6 HA CYS 6 -4.345 -6.189 13.707 53 1HB CYS 6 1HB CYS 6 -3.744 -4.093 15.653 54 2HB CYS 6 2HB CYS 6 -5.460 -4.244 15.336 55 H GLU 7 H GLU 7 -4.751 -2.580 13.866 56 HA GLU 7 HA GLU 7 -7.060 -2.316 12.650 57 1HB GLU 7 1HB GLU 7 -4.627 -0.656 12.838 58 2HB GLU 7 2HB GLU 7 -5.620 -0.237 11.456 59 1HG GLU 7 1HG GLU 7 -7.078 -0.682 14.040 60 2HG GLU 7 2HG GLU 7 -6.056 0.741 13.967 61 H PHE 8 H PHE 8 -3.967 -2.118 10.730 62 HA PHE 8 HA PHE 8 -5.046 -2.121 8.248 63 1HB PHE 8 1HB PHE 8 -2.566 -2.134 9.277 64 2HB PHE 8 2HB PHE 8 -2.650 -3.863 9.005 65 HD1 PHE 8 1HD PHE 8 -2.652 -0.574 7.351 66 HD2 PHE 8 2HD PHE 8 -2.472 -4.777 6.803 67 HE1 PHE 8 1HE PHE 8 -1.948 -0.232 4.966 68 HE2 PHE 8 2HE PHE 8 -1.767 -4.436 4.418 69 HZ PHE 8 HZ PHE 8 -1.512 -2.168 3.528 70 H ALA 9 H ALA 9 -4.154 -5.046 10.209 71 HA ALA 9 HA ALA 9 -4.823 -6.954 8.346 72 1HB ALA 9 1HB ALA 9 -5.290 -8.347 10.479 73 2HB ALA 9 2HB ALA 9 -3.670 -7.632 10.295 74 3HB ALA 9 3HB ALA 9 -4.862 -6.869 11.374 75 H ARG 10 H ARG 10 -6.911 -5.396 10.874 76 HA ARG 10 HA ARG 10 -9.172 -6.816 10.294 77 1HB ARG 10 1HB ARG 10 -8.597 -5.014 12.169 78 2HB ARG 10 2HB ARG 10 -9.319 -3.879 11.047 79 1HG ARG 10 1HG ARG 10 -11.443 -5.015 11.092 80 2HG ARG 10 2HG ARG 10 -10.756 -6.441 11.847 81 1HD ARG 10 1HD ARG 10 -10.087 -4.565 13.727 82 2HD ARG 10 2HD ARG 10 -11.540 -3.825 13.085 83 HE ARG 10 HE ARG 10 -11.833 -6.687 13.682 84 1HH1 ARG 10 2HH2 ARG 10 -12.095 -3.415 14.951 85 2HH1 ARG 10 1HH2 ARG 10 -13.195 -3.857 16.215 86 1HH2 ARG 10 2HH1 ARG 10 -13.283 -7.270 15.350 87 2HH2 ARG 10 1HH1 ARG 10 -13.875 -6.064 16.443 88 H THR 11 H THR 11 -8.200 -3.506 9.116 89 HA THR 11 HA THR 11 -10.338 -3.078 7.422 90 HB THR 11 HB THR 11 -7.418 -2.188 7.435 91 HG1 THR 11 1HG THR 11 -8.963 -1.505 9.120 92 1HG2 THR 11 1HG2 THR 11 -9.341 -0.441 6.048 93 2HG2 THR 11 2HG2 THR 11 -7.718 -0.953 5.528 94 3HG2 THR 11 3HG2 THR 11 -9.127 -1.987 5.192 95 H LEU 12 H LEU 12 -7.113 -4.505 6.565 96 HA LEU 12 HA LEU 12 -7.633 -4.992 3.932 97 1HB LEU 12 1HB LEU 12 -5.670 -5.637 5.819 98 2HB LEU 12 2HB LEU 12 -6.176 -7.176 5.151 99 HG LEU 12 HG LEU 12 -5.796 -6.174 2.844 100 1HD1 LEU 12 1HD1 LEU 12 -5.828 -3.795 3.685 101 2HD1 LEU 12 2HD1 LEU 12 -4.198 -4.086 4.339 102 3HD1 LEU 12 3HD1 LEU 12 -4.490 -4.208 2.587 103 1HD2 LEU 12 1HD2 LEU 12 -4.013 -7.482 3.014 104 2HD2 LEU 12 2HD2 LEU 12 -3.105 -6.100 3.672 105 3HD2 LEU 12 3HD2 LEU 12 -3.934 -7.224 4.774 106 H LYS 13 H LYS 13 -8.259 -7.234 6.723 107 HA LYS 13 HA LYS 13 -9.517 -9.174 5.147 108 1HB LYS 13 1HB LYS 13 -8.529 -9.262 7.563 109 2HB LYS 13 2HB LYS 13 -10.127 -8.750 8.063 110 1HG LYS 13 1HG LYS 13 -9.986 -11.012 6.087 111 2HG LYS 13 2HG LYS 13 -9.465 -11.360 7.724 112 1HD LYS 13 1HD LYS 13 -11.697 -10.234 8.480 113 2HD LYS 13 2HD LYS 13 -12.192 -10.372 6.805 114 1HE LYS 13 1HE LYS 13 -11.665 -12.866 6.929 115 2HE LYS 13 2HE LYS 13 -11.372 -12.668 8.646 116 1HZ LYS 13 1HZ LYS 13 -13.553 -12.315 9.044 117 2HZ LYS 13 2HZ LYS 13 -13.868 -11.645 7.589 118 3HZ LYS 13 3HZ LYS 13 -13.716 -13.265 7.726 119 H ARG 14 H ARG 14 -10.570 -6.074 6.439 120 HA ARG 14 HA ARG 14 -13.323 -6.737 6.216 121 1HB ARG 14 1HB ARG 14 -12.363 -5.031 7.846 122 2HB ARG 14 2HB ARG 14 -12.012 -3.985 6.485 123 1HG ARG 14 1HG ARG 14 -14.100 -3.145 7.018 124 2HG ARG 14 2HG ARG 14 -14.613 -4.421 5.932 125 1HD ARG 14 1HD ARG 14 -14.980 -5.950 7.860 126 2HD ARG 14 2HD ARG 14 -14.394 -4.724 8.967 127 HE ARG 14 HE ARG 14 -16.436 -3.569 8.765 128 1HH1 ARG 14 2HH2 ARG 14 -16.215 -6.050 6.279 129 2HH1 ARG 14 1HH2 ARG 14 -17.869 -5.888 5.788 130 1HH2 ARG 14 2HH1 ARG 14 -18.617 -3.354 8.119 131 2HH2 ARG 14 1HH1 ARG 14 -19.244 -4.343 6.842 132 H ASN 15 H ASN 15 -10.760 -5.523 4.148 133 HA ASN 15 HA ASN 15 -12.605 -4.333 2.303 134 1HB ASN 15 1HB ASN 15 -9.975 -3.810 2.905 135 2HB ASN 15 2HB ASN 15 -9.750 -4.853 1.515 136 1HD2 ASN 15 1HD2 ASN 15 -11.310 -1.931 2.702 137 2HD2 ASN 15 2HD2 ASN 15 -11.477 -1.116 1.183 138 H GLY 16 H GLY 16 -10.395 -7.178 2.637 139 1HA GLY 16 1HA GLY 16 -10.963 -9.292 1.772 140 2HA GLY 16 2HA GLY 16 -11.888 -8.530 0.494 141 H MET 17 H MET 17 -8.501 -8.060 1.745 142 HA MET 17 HA MET 17 -7.622 -8.579 -0.991 143 1HB MET 17 1HB MET 17 -7.331 -6.215 0.652 144 2HB MET 17 2HB MET 17 -5.738 -6.928 0.500 145 1HG MET 17 1HG MET 17 -6.013 -5.401 -1.364 146 2HG MET 17 2HG MET 17 -6.084 -7.026 -2.018 147 1HE MET 17 1HE MET 17 -8.015 -8.073 -3.148 148 2HE MET 17 2HE MET 17 -9.182 -7.005 -3.963 149 3HE MET 17 3HE MET 17 -7.435 -6.724 -4.154 150 H ALA 18 H ALA 18 -6.916 -8.758 2.530 151 HA ALA 18 HA ALA 18 -4.436 -10.004 2.352 152 1HB ALA 18 1HB ALA 18 -6.342 -9.252 4.344 153 2HB ALA 18 2HB ALA 18 -5.918 -10.959 4.624 154 3HB ALA 18 3HB ALA 18 -4.639 -9.722 4.570 155 H GLY 19 H GLY 19 -3.773 -12.131 2.097 156 1HA GLY 19 1HA GLY 19 -3.987 -14.398 1.899 157 2HA GLY 19 2HA GLY 19 -5.721 -14.274 2.120 158 H TYR 20 H TYR 20 -4.308 -12.054 -0.197 159 HA TYR 20 HA TYR 20 -5.889 -12.782 -2.291 160 1HB TYR 20 1HB TYR 20 -4.061 -10.863 -1.759 161 2HB TYR 20 2HB TYR 20 -2.968 -11.933 -2.615 162 HD1 TYR 20 1HD TYR 20 -6.483 -10.704 -3.163 163 HD2 TYR 20 2HD TYR 20 -2.574 -11.291 -4.800 164 HE1 TYR 20 1HE TYR 20 -7.258 -9.730 -5.380 165 HE2 TYR 20 2HE TYR 20 -3.362 -10.316 -7.011 166 HH TYR 20 HH TYR 20 -4.983 -9.383 -8.089 167 H TYR 21 H TYR 21 -4.739 -13.449 -4.570 168 HA TYR 21 HA TYR 21 -4.621 -16.055 -4.802 169 1HB TYR 21 1HB TYR 21 -3.289 -13.691 -6.042 170 2HB TYR 21 2HB TYR 21 -2.386 -15.165 -6.328 171 HD1 TYR 21 1HD TYR 21 -4.106 -17.245 -6.971 172 HD2 TYR 21 2HD TYR 21 -4.719 -13.084 -7.753 173 HE1 TYR 21 1HE TYR 21 -5.678 -17.829 -8.882 174 HE2 TYR 21 2HE TYR 21 -6.289 -13.682 -9.662 175 HH TYR 21 HH TYR 21 -6.438 -16.743 -10.980 176 H GLY 22 H GLY 22 -1.791 -14.071 -3.723 177 1HA GLY 22 1HA GLY 22 -0.630 -16.548 -2.614 178 2HA GLY 22 2HA GLY 22 0.337 -15.455 -3.585 179 H VAL 23 H VAL 23 0.119 -12.993 -2.848 180 HA VAL 23 HA VAL 23 1.337 -12.674 -0.471 181 HB VAL 23 HB VAL 23 0.320 -10.338 -0.533 182 1HG1 VAL 23 1HG1 VAL 23 2.110 -9.833 -1.770 183 2HG1 VAL 23 2HG1 VAL 23 2.317 -11.577 -2.063 184 3HG1 VAL 23 3HG1 VAL 23 1.397 -10.583 -3.219 185 1HG2 VAL 23 1HG2 VAL 23 -0.741 -9.819 -2.807 186 2HG2 VAL 23 2HG2 VAL 23 -1.030 -11.569 -2.944 187 3HG2 VAL 23 3HG2 VAL 23 -1.760 -10.649 -1.607 188 H SER 24 H SER 24 0.799 -13.351 1.536 189 HA SER 24 HA SER 24 -2.002 -13.602 2.151 190 1HB SER 24 1HB SER 24 0.105 -15.215 2.721 191 2HB SER 24 2HB SER 24 0.114 -14.243 4.178 192 HG SER 24 HG SER 24 -1.665 -16.226 3.384 193 H LEU 25 H LEU 25 -2.749 -12.837 4.407 194 HA LEU 25 HA LEU 25 -2.575 -10.140 4.635 195 1HB LEU 25 1HB LEU 25 -4.292 -11.306 5.733 196 2HB LEU 25 2HB LEU 25 -3.169 -12.300 6.640 197 HG LEU 25 HG LEU 25 -2.487 -10.355 7.975 198 1HD1 LEU 25 1HD1 LEU 25 -2.953 -8.229 7.484 199 2HD1 LEU 25 2HD1 LEU 25 -3.432 -8.835 5.880 200 3HD1 LEU 25 3HD1 LEU 25 -4.663 -8.586 7.140 201 1HD2 LEU 25 1HD2 LEU 25 -5.072 -11.610 7.986 202 2HD2 LEU 25 2HD2 LEU 25 -4.073 -11.062 9.353 203 3HD2 LEU 25 3HD2 LEU 25 -5.214 -9.937 8.577 204 H ALA 26 H ALA 26 -0.482 -12.626 6.208 205 HA ALA 26 HA ALA 26 0.987 -10.847 7.770 206 1HB ALA 26 1HB ALA 26 1.200 -13.114 8.312 207 2HB ALA 26 2HB ALA 26 1.433 -13.603 6.617 208 3HB ALA 26 3HB ALA 26 2.743 -12.776 7.493 209 H ASP 27 H ASP 27 1.389 -11.989 4.370 210 HA ASP 27 HA ASP 27 3.852 -10.816 3.965 211 1HB ASP 27 1HB ASP 27 1.544 -11.393 2.055 212 2HB ASP 27 2HB ASP 27 3.115 -10.851 1.500 213 H TRP 28 H TRP 28 0.465 -9.623 3.709 214 HA TRP 28 HA TRP 28 1.044 -7.206 2.400 215 1HB TRP 28 1HB TRP 28 -1.252 -8.193 4.071 216 2HB TRP 28 2HB TRP 28 -1.199 -6.544 3.483 217 HD1 TRP 28 HD TRP 28 -2.098 -10.018 2.350 218 HE1 TRP 28 1HE TRP 28 -2.851 -10.096 -0.178 219 HE3 TRP 28 3HE TRP 28 -0.553 -5.312 1.198 220 HZ2 TRP 28 2HZ TRP 28 -2.718 -8.224 -2.328 221 HZ3 TRP 28 3HZ TRP 28 -0.902 -4.515 -1.138 222 HH2 TRP 28 HH TRP 28 -1.943 -5.886 -2.872 223 H VAL 29 H VAL 29 0.221 -7.863 5.890 224 HA VAL 29 HA VAL 29 0.781 -5.417 6.906 225 HB VAL 29 HB VAL 29 0.976 -8.213 7.943 226 1HG1 VAL 29 1HG1 VAL 29 1.344 -7.098 10.257 227 2HG1 VAL 29 2HG1 VAL 29 2.753 -7.371 9.204 228 3HG1 VAL 29 3HG1 VAL 29 2.031 -5.748 9.323 229 1HG2 VAL 29 1HG2 VAL 29 -0.612 -6.371 9.494 230 2HG2 VAL 29 2HG2 VAL 29 -1.021 -6.219 7.768 231 3HG2 VAL 29 3HG2 VAL 29 -1.124 -7.804 8.572 232 H CYS 30 H CYS 30 3.144 -8.157 6.542 233 HA CYS 30 HA CYS 30 5.348 -6.890 7.489 234 1HB CYS 30 1HB CYS 30 5.923 -9.002 7.050 235 2HB CYS 30 2HB CYS 30 4.804 -9.144 5.709 236 H LEU 31 H LEU 31 4.287 -7.084 4.004 237 HA LEU 31 HA LEU 31 6.160 -5.363 2.976 238 1HB LEU 31 1HB LEU 31 4.449 -6.876 1.828 239 2HB LEU 31 2HB LEU 31 3.317 -5.549 1.999 240 HG LEU 31 HG LEU 31 5.963 -5.390 0.526 241 1HD1 LEU 31 1HD1 LEU 31 4.688 -5.458 -1.527 242 2HD1 LEU 31 2HD1 LEU 31 4.347 -6.912 -0.560 243 3HD1 LEU 31 3HD1 LEU 31 3.163 -5.583 -0.618 244 1HD2 LEU 31 1HD2 LEU 31 4.364 -3.335 -0.373 245 2HD2 LEU 31 2HD2 LEU 31 4.014 -3.374 1.371 246 3HD2 LEU 31 3HD2 LEU 31 5.691 -3.191 0.804 247 H ALA 32 H ALA 32 3.010 -4.654 4.565 248 HA ALA 32 HA ALA 32 3.076 -1.891 4.009 249 1HB ALA 32 1HB ALA 32 1.338 -3.786 5.200 250 2HB ALA 32 2HB ALA 32 1.657 -2.556 6.446 251 3HB ALA 32 3HB ALA 32 1.005 -2.070 4.863 252 H GLN 33 H GLN 33 4.598 -3.986 6.429 253 HA GLN 33 HA GLN 33 5.156 -1.893 8.230 254 1HB GLN 33 1HB GLN 33 5.075 -4.465 8.644 255 2HB GLN 33 2HB GLN 33 6.714 -4.491 8.022 256 1HG GLN 33 1HG GLN 33 6.832 -4.289 10.445 257 2HG GLN 33 2HG GLN 33 7.366 -2.773 9.749 258 1HE2 GLN 33 1HE2 GLN 33 6.884 -1.741 11.706 259 2HE2 GLN 33 2HE2 GLN 33 5.268 -1.306 12.153 260 H HIS 34 H HIS 34 7.135 -3.708 5.783 261 HA HIS 34 HA HIS 34 9.471 -2.284 6.187 262 1HB HIS 34 1HB HIS 34 8.974 -4.456 4.853 263 2HB HIS 34 2HB HIS 34 8.644 -3.384 3.507 264 HD1 HIS 34 1HD HIS 34 11.236 -1.728 5.329 265 HD2 HIS 34 2HD HIS 34 11.122 -5.026 2.738 266 HE1 HIS 34 1HE HIS 34 13.621 -2.056 4.484 267 HE2 HIS 34 2HE HIS 34 13.499 -4.129 2.940 268 H GLU 35 H GLU 35 6.462 -1.419 4.584 269 HA GLU 35 HA GLU 35 7.624 0.627 3.011 270 1HB GLU 35 1HB GLU 35 4.747 -0.006 3.788 271 2HB GLU 35 2HB GLU 35 5.175 1.313 2.716 272 1HG GLU 35 1HG GLU 35 6.324 -1.401 2.091 273 2HG GLU 35 2HG GLU 35 4.613 -1.168 1.798 274 H SER 36 H SER 36 5.298 0.739 5.815 275 HA SER 36 HA SER 36 6.605 2.276 7.496 276 1HB SER 36 1HB SER 36 5.835 3.915 5.134 277 2HB SER 36 2HB SER 36 5.405 4.623 6.678 278 HG SER 36 HG SER 36 7.792 4.685 5.519 279 H ASN 37 H ASN 37 4.678 0.433 7.800 280 HA ASN 37 HA ASN 37 2.070 1.268 7.749 281 1HB ASN 37 1HB ASN 37 3.310 -1.065 8.378 282 2HB ASN 37 2HB ASN 37 2.996 -0.509 10.010 283 1HD2 ASN 37 1HD2 ASN 37 1.280 -0.439 6.884 284 2HD2 ASN 37 2HD2 ASN 37 -0.229 -1.076 7.447 285 H TYR 38 H TYR 38 1.290 0.695 10.581 286 HA TYR 38 HA TYR 38 0.902 1.755 12.488 287 1HB TYR 38 1HB TYR 38 3.776 2.331 11.767 288 2HB TYR 38 2HB TYR 38 3.101 3.411 12.971 289 HD1 TYR 38 1HD TYR 38 5.310 1.054 13.017 290 HD2 TYR 38 2HD TYR 38 1.297 1.495 14.435 291 HE1 TYR 38 1HE TYR 38 5.751 -0.678 14.825 292 HE2 TYR 38 2HE TYR 38 1.752 -0.238 16.239 293 HH TYR 38 HH TYR 38 3.931 -2.367 16.181 294 H ASN 39 H ASN 39 2.808 4.159 10.526 295 HA ASN 39 HA ASN 39 0.659 6.035 11.092 296 1HB ASN 39 1HB ASN 39 3.535 6.533 10.159 297 2HB ASN 39 2HB ASN 39 2.361 7.795 10.474 298 1HD2 ASN 39 1HD2 ASN 39 1.798 8.342 12.534 299 2HD2 ASN 39 2HD2 ASN 39 2.624 7.783 13.950 300 H THR 40 H THR 40 -0.212 7.296 9.275 301 HA THR 40 HA THR 40 0.555 6.260 6.627 302 HB THR 40 HB THR 40 -1.815 6.232 6.046 303 HG1 THR 40 1HG THR 40 -2.798 7.906 7.143 304 1HG2 THR 40 1HG2 THR 40 -1.457 5.168 8.898 305 2HG2 THR 40 2HG2 THR 40 -2.840 4.793 7.842 306 3HG2 THR 40 3HG2 THR 40 -1.206 4.240 7.400 307 H ARG 41 H ARG 41 1.992 8.353 7.494 308 HA ARG 41 HA ARG 41 0.607 10.617 6.296 309 1HB ARG 41 1HB ARG 41 1.487 10.684 8.782 310 2HB ARG 41 2HB ARG 41 3.076 10.848 8.062 311 1HG ARG 41 1HG ARG 41 2.700 13.067 7.809 312 2HG ARG 41 2HG ARG 41 1.426 12.698 6.663 313 1HD ARG 41 1HD ARG 41 -0.238 12.569 8.487 314 2HD ARG 41 2HD ARG 41 1.015 12.787 9.691 315 HE ARG 41 HE ARG 41 1.128 14.968 7.827 316 1HH1 ARG 41 2HH2 ARG 41 -0.883 13.716 10.429 317 2HH1 ARG 41 1HH2 ARG 41 -1.510 15.270 10.864 318 1HH2 ARG 41 2HH1 ARG 41 0.302 17.019 8.402 319 2HH2 ARG 41 1HH1 ARG 41 -0.831 17.162 9.703 320 H ALA 42 H ALA 42 2.603 8.198 5.442 321 HA ALA 42 HA ALA 42 4.955 9.307 4.531 322 1HB ALA 42 1HB ALA 42 4.713 6.948 4.526 323 2HB ALA 42 2HB ALA 42 3.208 7.019 3.579 324 3HB ALA 42 3HB ALA 42 4.766 7.399 2.806 325 H THR 43 H THR 43 4.761 11.381 3.637 326 HA THR 43 HA THR 43 3.580 11.404 0.962 327 HB THR 43 HB THR 43 2.685 13.772 1.665 328 HG1 THR 43 1HG THR 43 3.930 13.556 3.747 329 1HG2 THR 43 1HG2 THR 43 0.830 12.391 1.418 330 2HG2 THR 43 2HG2 THR 43 1.564 11.077 2.367 331 3HG2 THR 43 3HG2 THR 43 0.830 12.470 3.197 332 H ASN 44 H ASN 44 4.960 12.176 -0.508 333 HA ASN 44 HA ASN 44 6.801 14.218 0.332 334 1HB ASN 44 1HB ASN 44 7.605 11.465 0.120 335 2HB ASN 44 2HB ASN 44 8.277 12.283 -1.275 336 1HD2 ASN 44 1HD2 ASN 44 9.219 14.514 -0.759 337 2HD2 ASN 44 2HD2 ASN 44 10.260 14.620 0.621 338 H TYR 45 H TYR 45 5.732 15.604 -1.209 339 HA TYR 45 HA TYR 45 5.416 14.646 -3.927 340 1HB TYR 45 1HB TYR 45 4.276 16.889 -4.112 341 2HB TYR 45 2HB TYR 45 3.681 16.019 -2.712 342 HD1 TYR 45 1HD TYR 45 4.156 16.786 -0.453 343 HD2 TYR 45 2HD TYR 45 5.760 18.844 -3.844 344 HE1 TYR 45 1HE TYR 45 4.768 18.761 1.026 345 HE2 TYR 45 2HE TYR 45 6.367 20.812 -2.354 346 HH TYR 45 HH TYR 45 5.195 21.605 0.145 347 H ASN 46 H ASN 46 6.196 15.969 -5.782 348 HA ASN 46 HA ASN 46 8.284 17.812 -5.260 349 1HB ASN 46 1HB ASN 46 8.901 15.023 -6.336 350 2HB ASN 46 2HB ASN 46 9.938 16.383 -6.717 351 1HD2 ASN 46 1HD2 ASN 46 11.055 17.469 -5.075 352 2HD2 ASN 46 2HD2 ASN 46 11.383 16.742 -3.537 353 H ARG 47 H ARG 47 7.510 19.316 -6.769 354 HA ARG 47 HA ARG 47 6.209 18.438 -9.110 355 1HB ARG 47 1HB ARG 47 6.075 20.719 -7.638 356 2HB ARG 47 2HB ARG 47 7.203 21.272 -8.860 357 1HG ARG 47 1HG ARG 47 5.451 21.633 -10.250 358 2HG ARG 47 2HG ARG 47 5.186 19.900 -10.309 359 1HD ARG 47 1HD ARG 47 3.100 20.691 -9.543 360 2HD ARG 47 2HD ARG 47 3.888 20.236 -8.045 361 HE ARG 47 HE ARG 47 4.546 22.963 -8.618 362 1HH1 ARG 47 2HH2 ARG 47 1.789 20.998 -7.657 363 2HH1 ARG 47 1HH2 ARG 47 0.996 22.293 -6.823 364 1HH2 ARG 47 2HH1 ARG 47 3.500 24.670 -7.516 365 2HH2 ARG 47 1HH1 ARG 47 1.975 24.395 -6.742 366 H GLY 48 H GLY 48 9.487 19.475 -8.201 367 1HA GLY 48 1HA GLY 48 10.742 20.389 -10.334 368 2HA GLY 48 2HA GLY 48 11.418 19.095 -9.364 369 H ASP 49 H ASP 49 9.434 17.041 -10.046 370 HA ASP 49 HA ASP 49 9.860 16.812 -12.910 371 1HB ASP 49 1HB ASP 49 11.445 15.448 -11.155 372 2HB ASP 49 2HB ASP 49 10.103 14.325 -11.244 373 H GLN 50 H GLN 50 7.493 17.575 -11.347 374 HA GLN 50 HA GLN 50 5.465 16.917 -10.739 375 1HB GLN 50 1HB GLN 50 5.657 17.224 -13.368 376 2HB GLN 50 2HB GLN 50 5.305 15.508 -13.409 377 1HG GLN 50 1HG GLN 50 3.531 17.034 -11.582 378 2HG GLN 50 2HG GLN 50 3.404 17.535 -13.256 379 1HE2 GLN 50 1HE2 GLN 50 1.436 16.207 -11.660 380 2HE2 GLN 50 2HE2 GLN 50 1.054 14.692 -12.407 381 H SER 51 H SER 51 6.987 15.204 -9.352 382 HA SER 51 HA SER 51 5.528 12.722 -9.671 383 1HB SER 51 1HB SER 51 7.504 11.350 -9.405 384 2HB SER 51 2HB SER 51 7.797 12.455 -10.734 385 HG SER 51 HG SER 51 8.814 13.876 -8.954 386 H THR 52 H THR 52 4.574 12.206 -7.733 387 HA THR 52 HA THR 52 5.850 13.277 -5.300 388 HB THR 52 HB THR 52 2.949 13.115 -6.217 389 HG1 THR 52 1HG THR 52 3.206 15.373 -5.564 390 1HG2 THR 52 1HG2 THR 52 2.243 12.788 -4.070 391 2HG2 THR 52 2HG2 THR 52 3.929 12.634 -3.520 392 3HG2 THR 52 3HG2 THR 52 3.157 14.236 -3.585 393 H ASP 53 H ASP 53 6.367 11.889 -3.706 394 HA ASP 53 HA ASP 53 5.554 9.138 -4.189 395 1HB ASP 53 1HB ASP 53 7.844 10.235 -2.490 396 2HB ASP 53 2HB ASP 53 7.516 8.536 -2.766 397 H TYR 54 H TYR 54 3.686 8.796 -2.933 398 HA TYR 54 HA TYR 54 3.954 9.140 -0.076 399 1HB TYR 54 1HB TYR 54 2.002 10.613 0.056 400 2HB TYR 54 2HB TYR 54 3.024 11.311 -1.185 401 HD1 TYR 54 1HD TYR 54 0.072 11.846 -0.890 402 HD2 TYR 54 2HD TYR 54 2.186 8.908 -3.173 403 HE1 TYR 54 1HE TYR 54 -1.855 11.732 -2.543 404 HE2 TYR 54 2HE TYR 54 0.251 8.805 -4.819 405 HH TYR 54 HH TYR 54 -1.910 9.321 -5.086 406 H GLY 55 H GLY 55 1.887 8.255 1.045 407 1HA GLY 55 1HA GLY 55 -0.084 6.890 0.719 408 2HA GLY 55 2HA GLY 55 0.735 6.088 -0.606 409 H ILE 56 H ILE 56 -0.413 4.977 1.952 410 HA ILE 56 HA ILE 56 1.438 4.368 3.848 411 HB ILE 56 HB ILE 56 -0.792 3.770 4.197 412 1HG1 ILE 56 1HG1 ILE 56 -0.501 1.067 4.232 413 2HG1 ILE 56 2HG1 ILE 56 1.175 1.554 4.078 414 1HG2 ILE 56 1HG2 ILE 56 -1.547 1.679 2.587 415 2HG2 ILE 56 2HG2 ILE 56 -2.017 3.381 2.367 416 3HG2 ILE 56 3HG2 ILE 56 -0.636 2.716 1.463 417 1HD1 ILE 56 1HD1 ILE 56 1.077 2.902 6.079 418 2HD1 ILE 56 2HD1 ILE 56 -0.697 2.783 6.144 419 3HD1 ILE 56 3HD1 ILE 56 0.304 1.348 6.475 420 H PHE 57 H PHE 57 1.151 3.120 0.525 421 HA PHE 57 HA PHE 57 3.398 1.325 1.077 422 1HB PHE 57 1HB PHE 57 1.149 1.558 -0.974 423 2HB PHE 57 2HB PHE 57 2.588 0.658 -1.411 424 HD1 PHE 57 1HD PHE 57 1.590 -1.486 -1.595 425 HD2 PHE 57 2HD PHE 57 1.141 0.744 1.987 426 HE1 PHE 57 1HE PHE 57 0.670 -3.517 -0.445 427 HE2 PHE 57 2HE PHE 57 0.220 -1.288 3.137 428 HZ PHE 57 HZ PHE 57 -0.005 -3.395 1.907 429 H GLN 58 H GLN 58 3.685 4.272 0.827 430 HA GLN 58 HA GLN 58 4.615 5.827 -0.455 431 1HB GLN 58 1HB GLN 58 6.427 4.266 0.690 432 2HB GLN 58 2HB GLN 58 6.825 3.825 -0.959 433 1HG GLN 58 1HG GLN 58 8.012 5.739 -1.193 434 2HG GLN 58 2HG GLN 58 6.560 6.681 -0.916 435 1HE2 GLN 58 1HE2 GLN 58 6.386 7.858 0.853 436 2HE2 GLN 58 2HE2 GLN 58 7.429 7.805 2.236 437 H ILE 59 H ILE 59 3.034 5.793 -2.237 438 HA ILE 59 HA ILE 59 4.037 4.413 -4.621 439 HB ILE 59 HB ILE 59 1.318 5.238 -3.686 440 1HG1 ILE 59 1HG1 ILE 59 2.180 2.694 -5.068 441 2HG1 ILE 59 2HG1 ILE 59 2.394 2.924 -3.344 442 1HG2 ILE 59 1HG2 ILE 59 0.683 4.475 -6.147 443 2HG2 ILE 59 2HG2 ILE 59 1.033 6.173 -5.744 444 3HG2 ILE 59 3HG2 ILE 59 2.285 5.163 -6.508 445 1HD1 ILE 59 1HD1 ILE 59 0.143 1.861 -4.373 446 2HD1 ILE 59 2HD1 ILE 59 0.120 2.862 -2.901 447 3HD1 ILE 59 3HD1 ILE 59 -0.314 3.580 -4.471 448 H ASN 60 H ASN 60 4.428 5.563 -6.541 449 HA ASN 60 HA ASN 60 4.972 8.332 -6.064 450 1HB ASN 60 1HB ASN 60 5.326 7.185 -8.812 451 2HB ASN 60 2HB ASN 60 6.437 8.158 -7.868 452 1HD2 ASN 60 1HD2 ASN 60 7.865 7.227 -6.468 453 2HD2 ASN 60 2HD2 ASN 60 8.179 5.526 -6.387 454 H SER 61 H SER 61 3.907 10.080 -7.175 455 HA SER 61 HA SER 61 1.368 9.333 -8.307 456 1HB SER 61 1HB SER 61 2.428 12.149 -7.855 457 2HB SER 61 2HB SER 61 0.756 11.655 -8.028 458 HG SER 61 HG SER 61 2.171 10.389 -5.933 459 H ARG 62 H ARG 62 4.437 9.524 -9.479 460 HA ARG 62 HA ARG 62 3.839 11.113 -11.787 461 1HB ARG 62 1HB ARG 62 6.240 10.276 -12.436 462 2HB ARG 62 2HB ARG 62 6.088 11.388 -11.090 463 1HG ARG 62 1HG ARG 62 6.416 9.680 -9.467 464 2HG ARG 62 2HG ARG 62 5.987 8.400 -10.584 465 1HD ARG 62 1HD ARG 62 8.548 10.056 -10.572 466 2HD ARG 62 2HD ARG 62 8.398 8.331 -10.301 467 HE ARG 62 HE ARG 62 7.323 8.613 -12.818 468 1HH1 ARG 62 2HH2 ARG 62 10.338 9.715 -11.378 469 2HH1 ARG 62 1HH2 ARG 62 11.217 9.668 -12.869 470 1HH2 ARG 62 2HH1 ARG 62 8.481 8.551 -14.786 471 2HH2 ARG 62 1HH1 ARG 62 10.154 9.002 -14.821 472 H TYR 63 H TYR 63 3.134 7.997 -10.774 473 HA TYR 63 HA TYR 63 2.997 7.061 -13.549 474 1HB TYR 63 1HB TYR 63 4.416 6.008 -11.130 475 2HB TYR 63 2HB TYR 63 3.388 4.805 -11.884 476 HD1 TYR 63 1HD TYR 63 3.827 4.057 -14.214 477 HD2 TYR 63 2HD TYR 63 6.451 6.765 -12.193 478 HE1 TYR 63 1HE TYR 63 5.643 3.589 -15.929 479 HE2 TYR 63 2HE TYR 63 8.258 6.288 -13.916 480 HH TYR 63 HH TYR 63 7.679 3.957 -16.538 481 H TRP 64 H TRP 64 1.941 6.664 -10.112 482 HA TRP 64 HA TRP 64 -0.589 5.585 -11.147 483 1HB TRP 64 1HB TRP 64 0.820 5.238 -8.502 484 2HB TRP 64 2HB TRP 64 -0.866 4.823 -8.738 485 HD1 TRP 64 HD TRP 64 -1.276 2.864 -10.786 486 HE1 TRP 64 1HE TRP 64 0.112 0.704 -11.397 487 HE3 TRP 64 3HE TRP 64 3.022 4.343 -8.506 488 HZ2 TRP 64 2HZ TRP 64 2.792 -0.125 -10.869 489 HZ3 TRP 64 3HZ TRP 64 4.977 2.799 -8.601 490 HH2 TRP 64 HH TRP 64 4.910 0.632 -9.731 491 H CYS 65 H CYS 65 -2.560 6.336 -9.870 492 HA CYS 65 HA CYS 65 -3.875 7.943 -9.165 493 1HB CYS 65 1HB CYS 65 -3.351 9.038 -7.248 494 2HB CYS 65 2HB CYS 65 -2.112 7.798 -7.232 495 H ASN 66 H ASN 66 -4.609 10.063 -9.839 496 HA ASN 66 HA ASN 66 -2.756 11.321 -11.707 497 1HB ASN 66 1HB ASN 66 -5.008 12.215 -12.731 498 2HB ASN 66 2HB ASN 66 -4.561 10.550 -13.046 499 1HD2 ASN 66 1HD2 ASN 66 -6.771 10.130 -13.430 500 2HD2 ASN 66 2HD2 ASN 66 -7.892 9.870 -12.135 501 H ASP 67 H ASP 67 -3.504 13.791 -12.062 502 HA ASP 67 HA ASP 67 -4.477 14.847 -9.538 503 1HB ASP 67 1HB ASP 67 -1.919 14.949 -9.746 504 2HB ASP 67 2HB ASP 67 -2.143 16.031 -11.105 505 H GLY 68 H GLY 68 -3.274 15.776 -12.860 506 1HA GLY 68 1HA GLY 68 -4.785 16.532 -14.538 507 2HA GLY 68 2HA GLY 68 -5.805 17.230 -13.294 508 H LYS 69 H LYS 69 -2.596 17.745 -12.349 509 HA LYS 69 HA LYS 69 -2.763 20.498 -13.267 510 1HB LYS 69 1HB LYS 69 -1.836 19.170 -10.898 511 2HB LYS 69 2HB LYS 69 -0.493 20.047 -11.605 512 1HG LYS 69 1HG LYS 69 -1.490 22.120 -11.296 513 2HG LYS 69 2HG LYS 69 -3.112 21.503 -11.542 514 1HD LYS 69 1HD LYS 69 -2.009 20.280 -9.154 515 2HD LYS 69 2HD LYS 69 -1.779 22.015 -9.053 516 1HE LYS 69 1HE LYS 69 -4.114 22.466 -9.220 517 2HE LYS 69 2HE LYS 69 -4.467 20.893 -9.907 518 1HZ LYS 69 1HZ LYS 69 -4.738 21.498 -7.340 519 2HZ LYS 69 2HZ LYS 69 -4.535 19.975 -7.895 520 3HZ LYS 69 3HZ LYS 69 -3.257 20.809 -7.314 521 H THR 70 H THR 70 -1.313 17.488 -14.121 522 HA THR 70 HA THR 70 0.325 18.874 -16.086 523 HB THR 70 HB THR 70 1.341 17.143 -13.810 524 HG1 THR 70 1HG THR 70 1.436 19.588 -14.064 525 1HG2 THR 70 1HG2 THR 70 2.967 17.691 -16.324 526 2HG2 THR 70 2HG2 THR 70 3.323 16.555 -15.001 527 3HG2 THR 70 3HG2 THR 70 2.032 16.184 -16.169 528 HA PRO 71 HA PRO 71 -1.701 15.581 -18.141 529 1HB PRO 71 1HB PRO 71 -1.603 16.683 -20.639 530 2HB PRO 71 2HB PRO 71 -2.909 16.984 -19.511 531 1HG PRO 71 1HG PRO 71 -0.681 18.766 -20.285 532 2HG PRO 71 2HG PRO 71 -2.198 19.178 -19.510 533 1HD PRO 71 1HD PRO 71 0.371 18.974 -18.251 534 2HD PRO 71 2HD PRO 71 -1.164 19.271 -17.459 535 H ARG 72 H ARG 72 0.633 14.846 -17.255 536 HA ARG 72 HA ARG 72 1.830 13.852 -19.703 537 1HB ARG 72 1HB ARG 72 3.052 15.768 -18.030 538 2HB ARG 72 2HB ARG 72 3.795 14.259 -17.535 539 1HG ARG 72 1HG ARG 72 5.195 14.632 -19.310 540 2HG ARG 72 2HG ARG 72 3.888 13.952 -20.258 541 1HD ARG 72 1HD ARG 72 3.401 15.962 -21.240 542 2HD ARG 72 2HD ARG 72 3.485 16.827 -19.720 543 HE ARG 72 HE ARG 72 5.571 16.675 -21.688 544 1HH1 ARG 72 2HH2 ARG 72 5.109 16.650 -18.200 545 2HH1 ARG 72 1HH2 ARG 72 6.678 17.300 -17.860 546 1HH2 ARG 72 2HH1 ARG 72 7.641 17.534 -21.240 547 2HH2 ARG 72 1HH1 ARG 72 8.128 17.807 -19.600 548 H ALA 73 H ALA 73 1.584 13.642 -16.093 549 HA ALA 73 HA ALA 73 2.742 11.283 -15.562 550 1HB ALA 73 1HB ALA 73 0.228 12.607 -14.536 551 2HB ALA 73 2HB ALA 73 0.743 11.033 -13.886 552 3HB ALA 73 3HB ALA 73 1.817 12.445 -13.751 553 H VAL 74 H VAL 74 1.826 9.053 -15.240 554 HA VAL 74 HA VAL 74 -0.161 8.456 -17.320 555 HB VAL 74 HB VAL 74 1.995 7.830 -18.143 556 1HG1 VAL 74 1HG1 VAL 74 3.251 5.976 -16.774 557 2HG1 VAL 74 2HG1 VAL 74 3.469 7.694 -16.363 558 3HG1 VAL 74 3HG1 VAL 74 2.375 6.679 -15.393 559 1HG2 VAL 74 1HG2 VAL 74 1.441 5.099 -17.516 560 2HG2 VAL 74 2HG2 VAL 74 -0.110 5.963 -17.651 561 3HG2 VAL 74 3HG2 VAL 74 1.050 6.003 -18.999 562 H ASN 75 H ASN 75 -1.225 9.015 -14.949 563 HA ASN 75 HA ASN 75 -1.174 7.410 -12.870 564 1HB ASN 75 1HB ASN 75 -3.709 7.749 -12.701 565 2HB ASN 75 2HB ASN 75 -2.793 9.219 -12.971 566 1HD2 ASN 75 1HD2 ASN 75 -5.557 8.685 -13.558 567 2HD2 ASN 75 2HD2 ASN 75 -5.802 8.909 -15.258 568 H ALA 76 H ALA 76 -0.777 5.163 -13.093 569 HA ALA 76 HA ALA 76 -2.280 3.650 -15.039 570 1HB ALA 76 1HB ALA 76 -0.851 1.830 -13.584 571 2HB ALA 76 2HB ALA 76 -0.199 2.730 -14.975 572 3HB ALA 76 3HB ALA 76 0.115 3.301 -13.319 573 H CYS 77 H CYS 77 -2.749 4.810 -11.861 574 HA CYS 77 HA CYS 77 -4.277 2.492 -11.038 575 1HB CYS 77 1HB CYS 77 -2.722 3.868 -9.524 576 2HB CYS 77 2HB CYS 77 -3.989 5.080 -9.521 577 H GLY 78 H GLY 78 -4.602 5.903 -12.120 578 1HA GLY 78 1HA GLY 78 -6.360 7.016 -12.978 579 2HA GLY 78 2HA GLY 78 -7.219 5.495 -13.115 580 H ILE 79 H ILE 79 -5.945 7.451 -10.318 581 HA ILE 79 HA ILE 79 -8.660 7.811 -9.383 582 HB ILE 79 HB ILE 79 -8.626 6.484 -7.597 583 1HG1 ILE 79 1HG1 ILE 79 -6.872 7.812 -6.486 584 2HG1 ILE 79 2HG1 ILE 79 -6.760 6.103 -6.113 585 1HG2 ILE 79 1HG2 ILE 79 -8.211 4.878 -9.304 586 2HG2 ILE 79 2HG2 ILE 79 -6.463 5.211 -9.285 587 3HG2 ILE 79 3HG2 ILE 79 -7.232 4.414 -7.893 588 1HD1 ILE 79 1HD1 ILE 79 -5.182 6.402 -8.434 589 2HD1 ILE 79 2HD1 ILE 79 -4.811 7.833 -7.442 590 3HD1 ILE 79 3HD1 ILE 79 -4.591 6.201 -6.766 591 H ASN 80 H ASN 80 -8.826 9.522 -7.794 592 HA ASN 80 HA ASN 80 -7.086 11.589 -8.300 593 1HB ASN 80 1HB ASN 80 -9.134 11.054 -6.108 594 2HB ASN 80 2HB ASN 80 -8.184 12.526 -6.078 595 1HD2 ASN 80 1HD2 ASN 80 -9.204 14.180 -6.878 596 2HD2 ASN 80 2HD2 ASN 80 -10.286 14.203 -8.231 597 H CYS 81 H CYS 81 -5.065 12.083 -7.409 598 HA CYS 81 HA CYS 81 -3.741 10.314 -5.773 599 1HB CYS 81 1HB CYS 81 -3.232 13.239 -6.329 600 2HB CYS 81 2HB CYS 81 -2.132 12.228 -5.414 601 H SER 82 H SER 82 -5.785 13.174 -5.071 602 HA SER 82 HA SER 82 -5.094 13.603 -2.473 603 1HB SER 82 1HB SER 82 -6.912 14.676 -4.186 604 2HB SER 82 2HB SER 82 -8.006 13.762 -3.167 605 HG SER 82 HG SER 82 -6.307 15.961 -2.491 606 H ALA 83 H ALA 83 -6.836 10.921 -3.935 607 HA ALA 83 HA ALA 83 -8.307 10.066 -1.716 608 1HB ALA 83 1HB ALA 83 -8.579 9.334 -4.107 609 2HB ALA 83 2HB ALA 83 -7.078 8.391 -3.941 610 3HB ALA 83 3HB ALA 83 -8.500 7.984 -2.949 611 H LEU 84 H LEU 84 -4.880 10.036 -2.454 612 HA LEU 84 HA LEU 84 -4.404 8.015 -0.403 613 1HB LEU 84 1HB LEU 84 -2.332 9.349 -2.125 614 2HB LEU 84 2HB LEU 84 -2.225 7.828 -1.260 615 HG LEU 84 HG LEU 84 -3.651 8.445 -3.835 616 1HD1 LEU 84 1HD1 LEU 84 -2.418 6.505 -4.648 617 2HD1 LEU 84 2HD1 LEU 84 -1.316 7.701 -3.923 618 3HD1 LEU 84 3HD1 LEU 84 -1.750 6.229 -3.021 619 1HD2 LEU 84 1HD2 LEU 84 -5.415 7.266 -3.073 620 2HD2 LEU 84 2HD2 LEU 84 -4.372 5.872 -3.440 621 3HD2 LEU 84 3HD2 LEU 84 -4.479 6.489 -1.774 622 H LEU 85 H LEU 85 -5.236 11.130 -0.334 623 HA LEU 85 HA LEU 85 -3.269 11.756 1.758 624 1HB LEU 85 1HB LEU 85 -3.740 13.143 -0.613 625 2HB LEU 85 2HB LEU 85 -4.607 14.060 0.603 626 HG LEU 85 HG LEU 85 -1.676 13.303 0.762 627 1HD1 LEU 85 1HD1 LEU 85 -1.602 14.875 -0.890 628 2HD1 LEU 85 2HD1 LEU 85 -3.093 15.684 -0.349 629 3HD1 LEU 85 3HD1 LEU 85 -1.570 15.943 0.535 630 1HD2 LEU 85 1HD2 LEU 85 -3.223 13.767 2.888 631 2HD2 LEU 85 2HD2 LEU 85 -1.532 14.312 2.790 632 3HD2 LEU 85 3HD2 LEU 85 -2.856 15.452 2.451 633 H GLN 86 H GLN 86 -5.985 10.293 1.671 634 HA GLN 86 HA GLN 86 -7.500 12.164 3.290 635 1HB GLN 86 1HB GLN 86 -8.443 9.416 2.412 636 2HB GLN 86 2HB GLN 86 -9.415 10.801 2.869 637 1HG GLN 86 1HG GLN 86 -7.956 11.846 0.761 638 2HG GLN 86 2HG GLN 86 -8.121 10.174 0.261 639 1HE2 GLN 86 1HE2 GLN 86 -9.892 13.010 1.397 640 2HE2 GLN 86 2HE2 GLN 86 -11.405 12.665 0.627 641 H ASP 87 H ASP 87 -8.984 10.126 4.765 642 HA ASP 87 HA ASP 87 -6.963 9.605 6.737 643 1HB ASP 87 1HB ASP 87 -9.395 8.565 7.674 644 2HB ASP 87 2HB ASP 87 -8.729 10.140 8.058 645 H ASP 88 H ASP 88 -9.858 7.728 5.546 646 HA ASP 88 HA ASP 88 -8.957 5.280 6.282 647 1HB ASP 88 1HB ASP 88 -10.953 6.372 4.384 648 2HB ASP 88 2HB ASP 88 -10.379 4.782 3.922 649 H ILE 89 H ILE 89 -8.037 3.470 4.942 650 HA ILE 89 HA ILE 89 -6.173 4.521 2.952 651 HB ILE 89 HB ILE 89 -4.938 2.448 3.331 652 1HG1 ILE 89 1HG1 ILE 89 -6.701 1.759 5.660 653 2HG1 ILE 89 2HG1 ILE 89 -7.173 1.241 4.053 654 1HG2 ILE 89 1HG2 ILE 89 -5.570 3.818 5.956 655 2HG2 ILE 89 2HG2 ILE 89 -4.057 3.008 5.482 656 3HG2 ILE 89 3HG2 ILE 89 -4.546 4.519 4.680 657 1HD1 ILE 89 1HD1 ILE 89 -4.396 0.663 4.237 658 2HD1 ILE 89 2HD1 ILE 89 -5.108 0.153 5.787 659 3HD1 ILE 89 3HD1 ILE 89 -5.743 -0.501 4.258 660 H THR 90 H THR 90 -9.255 3.503 2.939 661 HA THR 90 HA THR 90 -9.523 1.315 1.355 662 HB THR 90 HB THR 90 -11.375 2.670 2.342 663 HG1 THR 90 1HG THR 90 -11.630 1.273 0.384 664 1HG2 THR 90 1HG2 THR 90 -11.771 4.533 0.188 665 2HG2 THR 90 2HG2 THR 90 -11.528 4.907 1.912 666 3HG2 THR 90 3HG2 THR 90 -10.128 4.804 0.817 667 H ALA 91 H ALA 91 -8.255 4.502 0.424 668 HA ALA 91 HA ALA 91 -8.409 3.944 -2.372 669 1HB ALA 91 1HB ALA 91 -8.156 6.197 -0.841 670 2HB ALA 91 2HB ALA 91 -6.474 5.960 -1.372 671 3HB ALA 91 3HB ALA 91 -7.773 6.119 -2.578 672 H ALA 92 H ALA 92 -5.912 3.741 0.222 673 HA ALA 92 HA ALA 92 -3.778 3.101 -1.468 674 1HB ALA 92 1HB ALA 92 -3.569 3.880 0.873 675 2HB ALA 92 2HB ALA 92 -4.283 2.352 1.441 676 3HB ALA 92 3HB ALA 92 -2.706 2.345 0.615 677 H ILE 93 H ILE 93 -6.352 1.144 0.095 678 HA ILE 93 HA ILE 93 -5.166 -1.334 -0.651 679 HB ILE 93 HB ILE 93 -8.015 -0.760 0.156 680 1HG1 ILE 93 1HG1 ILE 93 -5.570 -1.209 1.888 681 2HG1 ILE 93 2HG1 ILE 93 -6.550 0.241 1.805 682 1HG2 ILE 93 1HG2 ILE 93 -7.713 -3.130 1.120 683 2HG2 ILE 93 2HG2 ILE 93 -7.949 -2.952 -0.635 684 3HG2 ILE 93 3HG2 ILE 93 -6.319 -3.245 0.019 685 1HD1 ILE 93 1HD1 ILE 93 -8.452 -1.728 2.332 686 2HD1 ILE 93 2HD1 ILE 93 -7.042 -2.272 3.271 687 3HD1 ILE 93 3HD1 ILE 93 -7.720 -0.648 3.543 688 H GLN 94 H GLN 94 -7.949 0.643 -1.880 689 HA GLN 94 HA GLN 94 -8.619 -1.051 -3.926 690 1HB GLN 94 1HB GLN 94 -9.820 1.065 -3.026 691 2HB GLN 94 2HB GLN 94 -8.796 1.979 -4.117 692 1HG GLN 94 1HG GLN 94 -10.435 1.596 -5.662 693 2HG GLN 94 2HG GLN 94 -9.709 0.008 -5.816 694 1HE2 GLN 94 1HE2 GLN 94 -12.499 1.017 -6.069 695 2HE2 GLN 94 2HE2 GLN 94 -13.471 0.021 -5.038 696 H CYS 95 H CYS 95 -6.182 1.603 -3.789 697 HA CYS 95 HA CYS 95 -5.550 1.452 -6.533 698 1HB CYS 95 1HB CYS 95 -5.127 3.336 -4.779 699 2HB CYS 95 2HB CYS 95 -3.646 2.459 -4.443 700 H ALA 96 H ALA 96 -4.068 0.172 -3.475 701 HA ALA 96 HA ALA 96 -1.856 -1.040 -4.498 702 1HB ALA 96 1HB ALA 96 -3.748 -1.711 -2.237 703 2HB ALA 96 2HB ALA 96 -2.337 -2.740 -2.579 704 3HB ALA 96 3HB ALA 96 -2.108 -1.025 -2.162 705 H LYS 97 H LYS 97 -5.249 -2.287 -4.405 706 HA LYS 97 HA LYS 97 -4.533 -4.753 -5.620 707 1HB LYS 97 1HB LYS 97 -6.934 -5.140 -5.707 708 2HB LYS 97 2HB LYS 97 -6.459 -4.540 -4.131 709 1HG LYS 97 1HG LYS 97 -7.284 -2.313 -4.622 710 2HG LYS 97 2HG LYS 97 -7.469 -2.682 -6.325 711 1HD LYS 97 1HD LYS 97 -9.063 -4.636 -5.300 712 2HD LYS 97 2HD LYS 97 -9.215 -3.461 -4.009 713 1HE LYS 97 1HE LYS 97 -10.782 -2.410 -5.276 714 2HE LYS 97 2HE LYS 97 -9.481 -1.904 -6.337 715 1HZ LYS 97 1HZ LYS 97 -9.918 -3.592 -7.783 716 2HZ LYS 97 2HZ LYS 97 -10.612 -4.565 -6.669 717 3HZ LYS 97 3HZ LYS 97 -11.430 -3.277 -7.252 718 H ARG 98 H ARG 98 -5.897 -1.613 -6.759 719 HA ARG 98 HA ARG 98 -6.385 -2.424 -9.336 720 1HB ARG 98 1HB ARG 98 -7.153 -0.263 -8.296 721 2HB ARG 98 2HB ARG 98 -5.509 0.341 -8.356 722 1HG ARG 98 1HG ARG 98 -5.835 1.036 -10.487 723 2HG ARG 98 2HG ARG 98 -6.120 -0.619 -10.988 724 1HD ARG 98 1HD ARG 98 -8.527 -0.410 -10.386 725 2HD ARG 98 2HD ARG 98 -8.259 1.224 -9.811 726 HE ARG 98 HE ARG 98 -7.410 0.766 -12.593 727 1HH1 ARG 98 2HH2 ARG 98 -10.029 1.770 -10.469 728 2HH1 ARG 98 1HH2 ARG 98 -10.866 2.648 -11.705 729 1HH2 ARG 98 2HH1 ARG 98 -8.513 1.925 -14.224 730 2HH2 ARG 98 1HH1 ARG 98 -9.998 2.737 -13.855 731 H VAL 99 H VAL 99 -3.383 -1.717 -7.646 732 HA VAL 99 HA VAL 99 -1.898 -1.296 -10.092 733 HB VAL 99 HB VAL 99 -1.167 -1.405 -7.164 734 1HG1 VAL 99 1HG1 VAL 99 0.738 -0.559 -9.347 735 2HG1 VAL 99 2HG1 VAL 99 1.085 -0.999 -7.657 736 3HG1 VAL 99 3HG1 VAL 99 0.625 -2.258 -8.828 737 1HG2 VAL 99 1HG2 VAL 99 -2.136 0.663 -8.911 738 2HG2 VAL 99 2HG2 VAL 99 -1.741 0.749 -7.177 739 3HG2 VAL 99 3HG2 VAL 99 -0.479 1.059 -8.394 740 H VAL 100 H VAL 100 -1.955 -3.692 -7.357 741 HA VAL 100 HA VAL 100 -0.162 -5.468 -8.492 742 HB VAL 100 HB VAL 100 -2.516 -5.972 -6.660 743 1HG1 VAL 100 1HG1 VAL 100 -1.117 -7.908 -7.936 744 2HG1 VAL 100 2HG1 VAL 100 -0.088 -7.670 -6.503 745 3HG1 VAL 100 3HG1 VAL 100 -1.804 -8.095 -6.305 746 1HG2 VAL 100 1HG2 VAL 100 -1.286 -5.231 -4.911 747 2HG2 VAL 100 2HG2 VAL 100 0.241 -5.853 -5.583 748 3HG2 VAL 100 3HG2 VAL 100 -0.424 -4.308 -6.167 749 H ARG 101 H ARG 101 -3.544 -4.771 -9.235 750 HA ARG 101 HA ARG 101 -4.329 -7.109 -10.341 751 1HB ARG 101 1HB ARG 101 -5.361 -4.558 -10.175 752 2HB ARG 101 2HB ARG 101 -5.046 -4.652 -11.897 753 1HG ARG 101 1HG ARG 101 -6.417 -6.664 -12.115 754 2HG ARG 101 2HG ARG 101 -6.574 -6.812 -10.375 755 1HD ARG 101 1HD ARG 101 -8.611 -5.781 -10.929 756 2HD ARG 101 2HD ARG 101 -7.631 -4.389 -10.511 757 HE ARG 101 HE ARG 101 -7.746 -3.687 -12.736 758 1HH1 ARG 101 2HH2 ARG 101 -8.472 -7.127 -12.595 759 2HH1 ARG 101 1HH2 ARG 101 -8.882 -7.240 -14.275 760 1HH2 ARG 101 2HH1 ARG 101 -8.286 -3.834 -14.951 761 2HH2 ARG 101 1HH1 ARG 101 -8.776 -5.354 -15.623 762 H ASP 102 H ASP 102 -1.800 -4.955 -11.383 763 HA ASP 102 HA ASP 102 -1.929 -5.671 -14.124 764 1HB ASP 102 1HB ASP 102 -0.500 -3.799 -12.462 765 2HB ASP 102 2HB ASP 102 0.696 -4.738 -13.333 766 HA PRO 103 HA PRO 103 0.890 -9.042 -13.973 767 1HB PRO 103 1HB PRO 103 2.779 -8.596 -15.896 768 2HB PRO 103 2HB PRO 103 1.160 -9.166 -16.256 769 1HG PRO 103 1HG PRO 103 2.304 -6.469 -16.646 770 2HG PRO 103 2HG PRO 103 0.869 -7.168 -17.370 771 1HD PRO 103 1HD PRO 103 0.957 -5.268 -15.222 772 2HD PRO 103 2HD PRO 103 -0.470 -6.055 -15.868 773 H GLN 104 H GLN 104 1.852 -6.164 -12.826 774 HA GLN 104 HA GLN 104 4.571 -6.704 -12.420 775 1HB GLN 104 1HB GLN 104 2.738 -4.857 -10.830 776 2HB GLN 104 2HB GLN 104 4.488 -4.784 -10.871 777 1HG GLN 104 1HG GLN 104 3.191 -4.726 -13.554 778 2HG GLN 104 2HG GLN 104 2.818 -3.346 -12.540 779 1HE2 GLN 104 1HE2 GLN 104 5.174 -4.984 -14.412 780 2HE2 GLN 104 2HE2 GLN 104 6.485 -3.864 -14.249 781 H GLY 105 H GLY 105 1.795 -6.653 -10.058 782 1HA GLY 105 1HA GLY 105 1.322 -8.112 -8.380 783 2HA GLY 105 2HA GLY 105 2.698 -9.098 -8.833 784 H ILE 106 H ILE 106 2.043 -8.503 -6.116 785 HA ILE 106 HA ILE 106 3.161 -6.356 -4.935 786 HB ILE 106 HB ILE 106 2.928 -9.232 -4.157 787 1HG1 ILE 106 1HG1 ILE 106 1.102 -7.283 -4.200 788 2HG1 ILE 106 2HG1 ILE 106 1.087 -8.575 -3.016 789 1HG2 ILE 106 1HG2 ILE 106 3.644 -8.439 -1.816 790 2HG2 ILE 106 2HG2 ILE 106 4.914 -8.794 -3.011 791 3HG2 ILE 106 3HG2 ILE 106 4.460 -7.107 -2.668 792 1HD1 ILE 106 1HD1 ILE 106 0.851 -6.183 -2.098 793 2HD1 ILE 106 2HD1 ILE 106 2.092 -7.198 -1.327 794 3HD1 ILE 106 3HD1 ILE 106 2.566 -5.962 -2.518 795 H ARG 107 H ARG 107 4.807 -8.957 -6.667 796 HA ARG 107 HA ARG 107 7.245 -9.002 -5.670 797 1HB ARG 107 1HB ARG 107 6.239 -9.975 -7.916 798 2HB ARG 107 2HB ARG 107 6.927 -8.543 -8.659 799 1HG ARG 107 1HG ARG 107 8.968 -9.524 -8.690 800 2HG ARG 107 2HG ARG 107 8.951 -9.640 -6.942 801 1HD ARG 107 1HD ARG 107 8.295 -11.862 -6.949 802 2HD ARG 107 2HD ARG 107 7.284 -11.676 -8.369 803 HE ARG 107 HE ARG 107 10.046 -11.343 -9.112 804 1HH1 ARG 107 2HH2 ARG 107 7.743 -13.828 -8.160 805 2HH1 ARG 107 1HH2 ARG 107 8.571 -15.096 -9.000 806 1HH2 ARG 107 2HH1 ARG 107 11.138 -13.017 -10.220 807 2HH2 ARG 107 1HH1 ARG 107 10.515 -14.632 -10.179 808 H ALA 108 H ALA 108 5.765 -6.303 -7.508 809 HA ALA 108 HA ALA 108 7.871 -4.788 -8.220 810 1HB ALA 108 1HB ALA 108 5.090 -4.278 -7.286 811 2HB ALA 108 2HB ALA 108 6.185 -2.875 -7.283 812 3HB ALA 108 3HB ALA 108 5.902 -3.780 -8.790 813 H TRP 109 H TRP 109 6.629 -5.374 -4.915 814 HA TRP 109 HA TRP 109 8.561 -3.489 -3.832 815 1HB TRP 109 1HB TRP 109 6.391 -5.150 -2.539 816 2HB TRP 109 2HB TRP 109 7.485 -4.094 -1.666 817 HD1 TRP 109 HD TRP 109 7.300 -1.349 -2.496 818 HE1 TRP 109 1HE TRP 109 5.186 0.113 -3.097 819 HE3 TRP 109 3HE TRP 109 4.206 -5.270 -3.451 820 HZ2 TRP 109 2HZ TRP 109 2.518 -0.520 -3.885 821 HZ3 TRP 109 3HZ TRP 109 1.862 -4.761 -4.131 822 HH2 TRP 109 HH TRP 109 1.004 -2.483 -4.353 823 H VAL 110 H VAL 110 10.287 -4.962 -4.906 824 HA VAL 110 HA VAL 110 10.785 -7.536 -4.266 825 HB VAL 110 HB VAL 110 12.070 -6.067 -5.791 826 1HG1 VAL 110 1HG1 VAL 110 13.179 -4.251 -5.108 827 2HG1 VAL 110 2HG1 VAL 110 12.426 -4.477 -3.512 828 3HG1 VAL 110 3HG1 VAL 110 14.032 -5.168 -3.844 829 1HG2 VAL 110 1HG2 VAL 110 14.408 -6.996 -4.617 830 2HG2 VAL 110 2HG2 VAL 110 13.155 -8.084 -3.971 831 3HG2 VAL 110 3HG2 VAL 110 13.354 -7.902 -5.730 832 H ALA 111 H ALA 111 10.902 -4.714 -2.141 833 HA ALA 111 HA ALA 111 12.570 -5.559 -0.153 834 1HB ALA 111 1HB ALA 111 11.808 -3.622 0.685 835 2HB ALA 111 2HB ALA 111 10.533 -3.594 -0.557 836 3HB ALA 111 3HB ALA 111 10.228 -4.371 1.015 837 H TRP 112 H TRP 112 9.072 -6.371 -0.641 838 HA TRP 112 HA TRP 112 8.710 -7.867 1.640 839 1HB TRP 112 1HB TRP 112 6.700 -7.804 0.732 840 2HB TRP 112 2HB TRP 112 7.348 -7.399 -0.844 841 HD1 TRP 112 HD TRP 112 5.623 -10.197 0.928 842 HE1 TRP 112 1HE TRP 112 5.449 -12.391 -0.530 843 HE3 TRP 112 3HE TRP 112 8.923 -8.713 -2.644 844 HZ2 TRP 112 2HZ TRP 112 6.684 -13.238 -2.959 845 HZ3 TRP 112 3HZ TRP 112 9.384 -10.282 -4.524 846 HH2 TRP 112 HH TRP 112 8.326 -12.477 -4.716 847 H ARG 113 H ARG 113 10.498 -8.530 -1.349 848 HA ARG 113 HA ARG 113 10.564 -11.304 -1.046 849 1HB ARG 113 1HB ARG 113 11.156 -9.775 -3.111 850 2HB ARG 113 2HB ARG 113 12.755 -9.683 -2.400 851 1HG ARG 113 1HG ARG 113 12.814 -12.227 -2.361 852 2HG ARG 113 2HG ARG 113 11.291 -12.232 -3.226 853 1HD ARG 113 1HD ARG 113 12.583 -12.218 -5.116 854 2HD ARG 113 2HD ARG 113 12.775 -10.506 -4.798 855 HE ARG 113 HE ARG 113 14.995 -10.893 -4.165 856 1HH1 ARG 113 2HH2 ARG 113 13.238 -13.941 -4.127 857 2HH1 ARG 113 1HH2 ARG 113 14.653 -14.901 -3.848 858 1HH2 ARG 113 2HH1 ARG 113 16.863 -12.158 -3.799 859 2HH2 ARG 113 1HH1 ARG 113 16.729 -13.880 -3.661 860 H ALA 114 H ALA 114 12.167 -8.667 0.569 861 HA ALA 114 HA ALA 114 13.989 -10.593 1.833 862 1HB ALA 114 1HB ALA 114 15.784 -9.385 1.225 863 2HB ALA 114 2HB ALA 114 14.718 -8.439 0.159 864 3HB ALA 114 3HB ALA 114 15.036 -7.883 1.820 865 H HIS 115 H HIS 115 11.264 -9.779 2.579 866 HA HIS 115 HA HIS 115 11.924 -8.821 5.212 867 1HB HIS 115 1HB HIS 115 11.019 -6.989 3.282 868 2HB HIS 115 2HB HIS 115 9.609 -7.348 4.260 869 HD1 HIS 115 1HD HIS 115 9.397 -6.046 6.389 870 HD2 HIS 115 2HD HIS 115 13.351 -6.167 4.992 871 HE1 HIS 115 1HE HIS 115 10.750 -4.538 7.940 872 HE2 HIS 115 2HE HIS 115 13.180 -4.696 7.065 873 H CYS 116 H CYS 116 9.457 -9.886 2.811 874 HA CYS 116 HA CYS 116 7.801 -10.894 4.948 875 1HB CYS 116 1HB CYS 116 7.502 -10.656 1.968 876 2HB CYS 116 2HB CYS 116 6.453 -11.726 2.878 877 H GLN 117 H GLN 117 9.287 -12.219 1.890 878 HA GLN 117 HA GLN 117 9.088 -14.858 2.903 879 1HB GLN 117 1HB GLN 117 9.674 -13.556 0.364 880 2HB GLN 117 2HB GLN 117 10.846 -14.823 0.668 881 1HG GLN 117 1HG GLN 117 8.486 -16.067 1.427 882 2HG GLN 117 2HG GLN 117 7.930 -15.037 0.123 883 1HE2 GLN 117 1HE2 GLN 117 7.920 -17.812 0.017 884 2HE2 GLN 117 2HE2 GLN 117 9.020 -18.365 -1.202 885 H ASN 118 H ASN 118 10.409 -13.770 4.912 886 HA ASN 118 HA ASN 118 13.171 -14.556 4.419 887 1HB ASN 118 1HB ASN 118 12.553 -11.981 4.883 888 2HB ASN 118 2HB ASN 118 12.474 -12.514 6.551 889 1HD2 ASN 118 1HD2 ASN 118 14.239 -11.628 7.395 890 2HD2 ASN 118 2HD2 ASN 118 15.870 -11.923 6.892 891 H ARG 119 H ARG 119 10.978 -13.591 7.178 892 HA ARG 119 HA ARG 119 11.594 -16.176 8.365 893 1HB ARG 119 1HB ARG 119 12.604 -13.884 9.388 894 2HB ARG 119 2HB ARG 119 11.024 -13.799 10.140 895 1HG ARG 119 1HG ARG 119 11.786 -16.475 10.538 896 2HG ARG 119 2HG ARG 119 13.287 -15.593 10.741 897 1HD ARG 119 1HD ARG 119 12.446 -14.312 12.558 898 2HD ARG 119 2HD ARG 119 10.774 -14.587 12.111 899 HE ARG 119 HE ARG 119 11.979 -17.118 12.699 900 1HH1 ARG 119 2HH2 ARG 119 10.953 -14.173 14.328 901 2HH1 ARG 119 1HH2 ARG 119 10.653 -14.963 15.840 902 1HH2 ARG 119 2HH1 ARG 119 11.584 -18.160 14.693 903 2HH2 ARG 119 1HH1 ARG 119 11.014 -17.245 16.049 904 H ASP 120 H ASP 120 9.887 -15.953 10.638 905 HA ASP 120 HA ASP 120 7.373 -16.242 9.315 906 1HB ASP 120 1HB ASP 120 8.271 -17.770 11.158 907 2HB ASP 120 2HB ASP 120 8.031 -16.454 12.289 908 H LEU 121 H LEU 121 6.525 -14.159 8.819 909 HA LEU 121 HA LEU 121 6.504 -12.199 10.990 910 1HB LEU 121 1HB LEU 121 7.427 -11.735 8.639 911 2HB LEU 121 2HB LEU 121 5.755 -11.716 8.117 912 HG LEU 121 HG LEU 121 6.930 -9.486 8.691 913 1HD1 LEU 121 1HD1 LEU 121 4.302 -10.258 8.588 914 2HD1 LEU 121 2HD1 LEU 121 4.399 -9.470 10.182 915 3HD1 LEU 121 3HD1 LEU 121 4.883 -8.581 8.717 916 1HD2 LEU 121 1HD2 LEU 121 6.094 -10.186 11.507 917 2HD2 LEU 121 2HD2 LEU 121 7.761 -10.393 10.917 918 3HD2 LEU 121 3HD2 LEU 121 7.017 -8.776 10.936 919 H SER 122 H SER 122 4.766 -14.752 10.538 920 HA SER 122 HA SER 122 2.198 -13.630 10.049 921 1HB SER 122 1HB SER 122 3.284 -16.167 9.866 922 2HB SER 122 2HB SER 122 2.356 -16.299 11.346 923 HG SER 122 HG SER 122 1.396 -15.538 8.727 924 H GLN 123 H GLN 123 4.320 -14.226 12.798 925 HA GLN 123 HA GLN 123 2.306 -14.329 14.747 926 1HB GLN 123 1HB GLN 123 4.639 -15.184 15.054 927 2HB GLN 123 2HB GLN 123 5.240 -13.538 15.025 928 1HG GLN 123 1HG GLN 123 3.015 -14.044 16.957 929 2HG GLN 123 2HG GLN 123 4.517 -14.871 17.318 930 1HE2 GLN 123 1HE2 GLN 123 3.641 -13.046 19.054 931 2HE2 GLN 123 2HE2 GLN 123 4.597 -11.602 19.030 932 H TYR 124 H TYR 124 3.345 -11.818 12.713 933 HA TYR 124 HA TYR 124 3.166 -9.670 14.594 934 1HB TYR 124 1HB TYR 124 4.164 -10.177 12.021 935 2HB TYR 124 2HB TYR 124 2.700 -9.290 11.643 936 HD1 TYR 124 1HD TYR 124 2.666 -6.939 11.746 937 HD2 TYR 124 2HD TYR 124 5.834 -9.079 13.669 938 HE1 TYR 124 1HE TYR 124 3.883 -4.752 12.193 939 HE2 TYR 124 2HE TYR 124 7.040 -6.884 14.108 940 HH TYR 124 HH TYR 124 6.418 -4.511 14.365 941 H ILE 125 H ILE 125 0.982 -11.340 12.294 942 HA ILE 125 HA ILE 125 -1.096 -9.381 12.846 943 HB ILE 125 HB ILE 125 -2.352 -10.851 11.178 944 1HG1 ILE 125 1HG1 ILE 125 0.346 -11.822 10.298 945 2HG1 ILE 125 2HG1 ILE 125 -0.509 -12.707 11.546 946 1HG2 ILE 125 1HG2 ILE 125 -1.853 -9.168 9.826 947 2HG2 ILE 125 2HG2 ILE 125 -0.479 -8.742 10.874 948 3HG2 ILE 125 3HG2 ILE 125 -0.245 -9.864 9.513 949 1HD1 ILE 125 1HD1 ILE 125 -1.013 -13.561 9.244 950 2HD1 ILE 125 2HD1 ILE 125 -2.471 -12.980 10.084 951 3HD1 ILE 125 3HD1 ILE 125 -1.703 -11.973 8.833 952 H ARG 126 H ARG 126 -0.153 -12.769 13.503 953 HA ARG 126 HA ARG 126 -2.592 -13.547 14.553 954 1HB ARG 126 1HB ARG 126 -0.743 -15.111 13.908 955 2HB ARG 126 2HB ARG 126 0.223 -14.528 15.249 956 1HG ARG 126 1HG ARG 126 -0.758 -16.493 16.124 957 2HG ARG 126 2HG ARG 126 -1.785 -15.226 16.765 958 1HD ARG 126 1HD ARG 126 -3.476 -15.619 15.041 959 2HD ARG 126 2HD ARG 126 -2.415 -16.709 14.171 960 HE ARG 126 HE ARG 126 -2.653 -17.757 16.788 961 1HH1 ARG 126 2HH2 ARG 126 -4.756 -17.111 14.042 962 2HH1 ARG 126 1HH2 ARG 126 -5.864 -18.386 14.429 963 1HH2 ARG 126 2HH1 ARG 126 -4.114 -19.437 17.299 964 2HH2 ARG 126 1HH1 ARG 126 -5.497 -19.717 16.293 965 H ASN 127 H ASN 127 -3.566 -12.345 16.187 966 HA ASN 127 HA ASN 127 -2.863 -12.534 18.739 967 1HB ASN 127 1HB ASN 127 -1.054 -10.673 17.444 968 2HB ASN 127 2HB ASN 127 -2.067 -9.757 18.541 969 1HD2 ASN 127 1HD2 ASN 127 -1.219 -9.499 20.447 970 2HD2 ASN 127 2HD2 ASN 127 -0.246 -10.625 21.334 971 H CYS 128 H CYS 128 -4.059 -10.535 16.059 972 HA CYS 128 HA CYS 128 -5.734 -8.884 17.640 973 1HB CYS 128 1HB CYS 128 -4.797 -8.777 15.087 974 2HB CYS 128 2HB CYS 128 -6.442 -9.313 14.805 975 H GLY 129 H GLY 129 -5.848 -12.131 16.271 976 1HA GLY 129 1HA GLY 129 -7.390 -13.708 17.115 977 2HA GLY 129 2HA GLY 129 -8.582 -12.439 17.320 978 H VAL 130 H VAL 130 -6.559 -12.589 14.394 979 HA VAL 130 HA VAL 130 -8.976 -13.002 12.840 980 HB VAL 130 HB VAL 130 -6.986 -11.258 12.555 981 1HG1 VAL 130 1HG1 VAL 130 -5.412 -11.947 10.820 982 2HG1 VAL 130 2HG1 VAL 130 -5.261 -12.999 12.248 983 3HG1 VAL 130 3HG1 VAL 130 -6.117 -13.580 10.800 984 1HG2 VAL 130 1HG2 VAL 130 -9.117 -12.243 10.954 985 2HG2 VAL 130 2HG2 VAL 130 -8.315 -10.656 10.871 986 3HG2 VAL 130 3HG2 VAL 130 -7.716 -12.008 9.880 Start of MODEL 11 1 H LYS 1 H LYS 1 -4.021 7.362 6.210 2 HA LYS 1 HA LYS 1 -4.420 9.286 8.387 3 1HB LYS 1 1HB LYS 1 -6.329 7.983 7.037 4 2HB LYS 1 2HB LYS 1 -5.974 6.743 8.221 5 1HG LYS 1 1HG LYS 1 -7.670 8.067 9.246 6 2HG LYS 1 2HG LYS 1 -6.187 8.588 10.021 7 1HD LYS 1 1HD LYS 1 -6.477 10.200 7.671 8 2HD LYS 1 2HD LYS 1 -8.055 10.151 8.434 9 1HE LYS 1 1HE LYS 1 -6.748 10.652 10.665 10 2HE LYS 1 2HE LYS 1 -5.428 11.124 9.613 11 1HZ LYS 1 1HZ LYS 1 -7.184 12.537 8.472 12 2HZ LYS 1 2HZ LYS 1 -8.084 12.317 9.817 13 3HZ LYS 1 3HZ LYS 1 -6.626 13.045 9.920 14 H VAL 2 H VAL 2 -5.219 6.701 9.973 15 HA VAL 2 HA VAL 2 -2.457 5.904 10.587 16 HB VAL 2 HB VAL 2 -3.656 7.506 12.195 17 1HG1 VAL 2 1HG1 VAL 2 -5.715 5.714 12.024 18 2HG1 VAL 2 2HG1 VAL 2 -4.922 5.197 13.531 19 3HG1 VAL 2 3HG1 VAL 2 -5.486 6.876 13.353 20 1HG2 VAL 2 1HG2 VAL 2 -2.458 4.874 13.109 21 2HG2 VAL 2 2HG2 VAL 2 -1.620 6.421 12.843 22 3HG2 VAL 2 3HG2 VAL 2 -2.769 6.252 14.192 23 H TYR 3 H TYR 3 -2.089 3.705 10.932 24 HA TYR 3 HA TYR 3 -4.242 1.884 11.293 25 1HB TYR 3 1HB TYR 3 -3.091 2.591 8.598 26 2HB TYR 3 2HB TYR 3 -3.176 0.869 8.910 27 HD1 TYR 3 1HD TYR 3 -5.083 3.895 8.199 28 HD2 TYR 3 2HD TYR 3 -5.378 -0.234 9.278 29 HE1 TYR 3 1HE TYR 3 -7.537 3.890 7.534 30 HE2 TYR 3 2HE TYR 3 -7.832 -0.226 8.610 31 HH TYR 3 HH TYR 3 -9.170 1.874 6.697 32 H GLU 4 H GLU 4 -3.400 0.277 12.521 33 HA GLU 4 HA GLU 4 -0.528 -0.120 12.303 34 1HB GLU 4 1HB GLU 4 -0.578 -0.935 14.571 35 2HB GLU 4 2HB GLU 4 -1.523 0.540 14.536 36 1HG GLU 4 1HG GLU 4 -3.623 -0.751 14.430 37 2HG GLU 4 2HG GLU 4 -2.733 -2.255 14.305 38 H ARG 5 H ARG 5 0.176 -2.503 12.828 39 HA ARG 5 HA ARG 5 -0.449 -4.108 10.850 40 1HB ARG 5 1HB ARG 5 0.084 -6.063 12.495 41 2HB ARG 5 2HB ARG 5 1.300 -4.814 12.303 42 1HG ARG 5 1HG ARG 5 -0.107 -3.695 14.338 43 2HG ARG 5 2HG ARG 5 -0.499 -5.375 14.646 44 1HD ARG 5 1HD ARG 5 2.270 -5.432 14.138 45 2HD ARG 5 2HD ARG 5 2.053 -3.949 15.046 46 HE ARG 5 HE ARG 5 0.551 -5.760 16.490 47 1HH1 ARG 5 2HH2 ARG 5 3.869 -5.772 15.319 48 2HH1 ARG 5 1HH2 ARG 5 4.458 -6.761 16.614 49 1HH2 ARG 5 2HH1 ARG 5 1.327 -7.064 18.198 50 2HH2 ARG 5 1HH1 ARG 5 3.001 -7.500 18.263 51 H CYS 6 H CYS 6 -2.046 -4.320 14.123 52 HA CYS 6 HA CYS 6 -3.859 -6.271 13.513 53 1HB CYS 6 1HB CYS 6 -3.436 -4.364 15.610 54 2HB CYS 6 2HB CYS 6 -5.146 -4.412 15.234 55 H GLU 7 H GLU 7 -4.815 -2.783 13.863 56 HA GLU 7 HA GLU 7 -7.148 -2.803 12.675 57 1HB GLU 7 1HB GLU 7 -4.970 -0.813 12.882 58 2HB GLU 7 2HB GLU 7 -6.074 -0.487 11.561 59 1HG GLU 7 1HG GLU 7 -7.383 0.498 13.153 60 2HG GLU 7 2HG GLU 7 -7.856 -1.138 13.565 61 H PHE 8 H PHE 8 -4.141 -2.101 10.737 62 HA PHE 8 HA PHE 8 -5.143 -2.064 8.270 63 1HB PHE 8 1HB PHE 8 -2.678 -2.125 9.361 64 2HB PHE 8 2HB PHE 8 -2.733 -3.821 8.926 65 HD1 PHE 8 1HD PHE 8 -3.495 -0.529 7.320 66 HD2 PHE 8 2HD PHE 8 -1.765 -4.383 6.921 67 HE1 PHE 8 1HE PHE 8 -2.754 0.045 4.991 68 HE2 PHE 8 2HE PHE 8 -1.024 -3.810 4.592 69 HZ PHE 8 HZ PHE 8 -1.528 -1.603 3.654 70 H ALA 9 H ALA 9 -4.091 -5.120 9.947 71 HA ALA 9 HA ALA 9 -4.844 -6.854 7.937 72 1HB ALA 9 1HB ALA 9 -5.306 -7.997 10.555 73 2HB ALA 9 2HB ALA 9 -3.966 -8.293 9.421 74 3HB ALA 9 3HB ALA 9 -3.859 -6.960 10.596 75 H ARG 10 H ARG 10 -6.728 -5.799 10.863 76 HA ARG 10 HA ARG 10 -8.964 -7.205 10.417 77 1HB ARG 10 1HB ARG 10 -8.387 -5.536 12.319 78 2HB ARG 10 2HB ARG 10 -9.025 -4.277 11.279 79 1HG ARG 10 1HG ARG 10 -11.032 -4.774 12.256 80 2HG ARG 10 2HG ARG 10 -11.065 -6.119 11.132 81 1HD ARG 10 1HD ARG 10 -9.752 -7.450 12.952 82 2HD ARG 10 2HD ARG 10 -10.180 -6.150 14.047 83 HE ARG 10 HE ARG 10 -12.482 -7.191 12.570 84 1HH1 ARG 10 2HH2 ARG 10 -10.453 -7.639 15.410 85 2HH1 ARG 10 1HH2 ARG 10 -11.669 -8.495 16.301 86 1HH2 ARG 10 2HH1 ARG 10 -14.086 -8.318 13.745 87 2HH2 ARG 10 1HH1 ARG 10 -13.748 -8.883 15.347 88 H THR 11 H THR 11 -8.380 -3.789 9.276 89 HA THR 11 HA THR 11 -10.681 -3.533 7.767 90 HB THR 11 HB THR 11 -7.881 -2.327 7.617 91 HG1 THR 11 1HG THR 11 -10.598 -1.603 8.454 92 1HG2 THR 11 1HG2 THR 11 -8.524 -1.632 5.492 93 2HG2 THR 11 2HG2 THR 11 -10.246 -1.961 5.799 94 3HG2 THR 11 3HG2 THR 11 -9.498 -0.473 6.427 95 H LEU 12 H LEU 12 -7.395 -4.544 6.602 96 HA LEU 12 HA LEU 12 -8.010 -4.976 4.003 97 1HB LEU 12 1HB LEU 12 -5.943 -5.651 5.808 98 2HB LEU 12 2HB LEU 12 -6.358 -7.124 4.953 99 HG LEU 12 HG LEU 12 -6.215 -5.458 2.846 100 1HD1 LEU 12 1HD1 LEU 12 -3.975 -4.146 3.419 101 2HD1 LEU 12 2HD1 LEU 12 -5.586 -3.428 3.666 102 3HD1 LEU 12 3HD1 LEU 12 -4.702 -4.127 5.044 103 1HD2 LEU 12 1HD2 LEU 12 -3.817 -6.772 4.153 104 2HD2 LEU 12 2HD2 LEU 12 -5.026 -7.590 3.133 105 3HD2 LEU 12 3HD2 LEU 12 -3.981 -6.328 2.437 106 H LYS 13 H LYS 13 -8.514 -7.275 6.757 107 HA LYS 13 HA LYS 13 -9.647 -9.272 5.125 108 1HB LYS 13 1HB LYS 13 -8.630 -9.268 7.590 109 2HB LYS 13 2HB LYS 13 -10.313 -9.065 8.032 110 1HG LYS 13 1HG LYS 13 -9.627 -11.174 5.984 111 2HG LYS 13 2HG LYS 13 -9.249 -11.501 7.664 112 1HD LYS 13 1HD LYS 13 -11.502 -11.489 8.327 113 2HD LYS 13 2HD LYS 13 -11.997 -10.435 7.018 114 1HE LYS 13 1HE LYS 13 -12.795 -12.377 6.087 115 2HE LYS 13 2HE LYS 13 -11.137 -12.583 5.560 116 1HZ LYS 13 1HZ LYS 13 -11.692 -13.499 8.223 117 2HZ LYS 13 2HZ LYS 13 -12.434 -14.341 7.037 118 3HZ LYS 13 3HZ LYS 13 -10.808 -14.200 7.042 119 H ARG 14 H ARG 14 -10.896 -6.362 6.743 120 HA ARG 14 HA ARG 14 -13.586 -7.149 6.512 121 1HB ARG 14 1HB ARG 14 -12.685 -5.427 8.147 122 2HB ARG 14 2HB ARG 14 -12.418 -4.334 6.805 123 1HG ARG 14 1HG ARG 14 -14.648 -3.822 6.600 124 2HG ARG 14 2HG ARG 14 -15.160 -5.475 6.879 125 1HD ARG 14 1HD ARG 14 -14.481 -5.081 9.369 126 2HD ARG 14 2HD ARG 14 -14.416 -3.379 8.961 127 HE ARG 14 HE ARG 14 -16.903 -4.513 8.036 128 1HH1 ARG 14 2HH2 ARG 14 -15.265 -3.484 10.976 129 2HH1 ARG 14 1HH2 ARG 14 -16.734 -3.137 11.825 130 1HH2 ARG 14 2HH1 ARG 14 -18.842 -4.054 9.156 131 2HH2 ARG 14 1HH1 ARG 14 -18.782 -3.462 10.783 132 H ASN 15 H ASN 15 -11.188 -5.664 4.397 133 HA ASN 15 HA ASN 15 -13.196 -4.611 2.638 134 1HB ASN 15 1HB ASN 15 -10.604 -3.857 3.186 135 2HB ASN 15 2HB ASN 15 -10.336 -4.819 1.746 136 1HD2 ASN 15 1HD2 ASN 15 -11.276 -1.844 2.998 137 2HD2 ASN 15 2HD2 ASN 15 -11.870 -1.082 1.561 138 H GLY 16 H GLY 16 -10.765 -7.268 2.878 139 1HA GLY 16 1HA GLY 16 -11.327 -9.402 1.940 140 2HA GLY 16 2HA GLY 16 -12.068 -8.586 0.578 141 H MET 17 H MET 17 -8.886 -8.090 2.267 142 HA MET 17 HA MET 17 -7.638 -8.627 -0.316 143 1HB MET 17 1HB MET 17 -7.638 -6.215 1.281 144 2HB MET 17 2HB MET 17 -6.020 -6.881 1.365 145 1HG MET 17 1HG MET 17 -6.037 -5.441 -0.565 146 2HG MET 17 2HG MET 17 -6.064 -7.077 -1.192 147 1HE MET 17 1HE MET 17 -7.397 -8.048 -2.400 148 2HE MET 17 2HE MET 17 -9.162 -7.878 -2.546 149 3HE MET 17 3HE MET 17 -8.088 -6.980 -3.645 150 H ALA 18 H ALA 18 -7.418 -8.715 3.269 151 HA ALA 18 HA ALA 18 -4.915 -9.775 3.582 152 1HB ALA 18 1HB ALA 18 -6.286 -9.057 5.447 153 2HB ALA 18 2HB ALA 18 -7.502 -10.307 5.093 154 3HB ALA 18 3HB ALA 18 -5.887 -10.777 5.676 155 H GLY 19 H GLY 19 -4.027 -11.425 2.431 156 1HA GLY 19 1HA GLY 19 -3.702 -13.611 1.885 157 2HA GLY 19 2HA GLY 19 -5.257 -14.030 2.574 158 H TYR 20 H TYR 20 -4.720 -11.440 0.138 159 HA TYR 20 HA TYR 20 -6.811 -12.085 -1.473 160 1HB TYR 20 1HB TYR 20 -5.196 -10.077 -1.494 161 2HB TYR 20 2HB TYR 20 -3.989 -11.104 -2.240 162 HD1 TYR 20 1HD TYR 20 -7.560 -10.076 -2.811 163 HD2 TYR 20 2HD TYR 20 -3.752 -10.973 -4.543 164 HE1 TYR 20 1HE TYR 20 -8.455 -9.468 -5.111 165 HE2 TYR 20 2HE TYR 20 -4.661 -10.363 -6.838 166 HH TYR 20 HH TYR 20 -7.864 -10.138 -7.506 167 H TYR 21 H TYR 21 -6.440 -12.700 -3.972 168 HA TYR 21 HA TYR 21 -6.304 -15.325 -4.257 169 1HB TYR 21 1HB TYR 21 -5.780 -12.886 -5.850 170 2HB TYR 21 2HB TYR 21 -4.824 -14.219 -6.464 171 HD1 TYR 21 1HD TYR 21 -8.345 -13.408 -5.464 172 HD2 TYR 21 2HD TYR 21 -5.771 -15.683 -8.013 173 HE1 TYR 21 1HE TYR 21 -10.365 -14.281 -6.737 174 HE2 TYR 21 2HE TYR 21 -7.799 -16.548 -9.278 175 HH TYR 21 HH TYR 21 -10.736 -15.148 -9.147 176 H GLY 22 H GLY 22 -3.403 -13.155 -4.331 177 1HA GLY 22 1HA GLY 22 -1.744 -15.574 -3.933 178 2HA GLY 22 2HA GLY 22 -1.266 -14.236 -4.959 179 H VAL 23 H VAL 23 -1.735 -11.942 -3.633 180 HA VAL 23 HA VAL 23 0.295 -11.747 -1.810 181 HB VAL 23 HB VAL 23 -2.213 -10.062 -1.951 182 1HG1 VAL 23 1HG1 VAL 23 0.549 -9.598 -0.815 183 2HG1 VAL 23 2HG1 VAL 23 -0.501 -8.247 -1.305 184 3HG1 VAL 23 3HG1 VAL 23 -1.036 -9.374 -0.036 185 1HG2 VAL 23 1HG2 VAL 23 0.260 -10.144 -3.679 186 2HG2 VAL 23 2HG2 VAL 23 -1.452 -10.097 -4.164 187 3HG2 VAL 23 3HG2 VAL 23 -0.679 -8.645 -3.483 188 H SER 24 H SER 24 0.591 -12.396 0.260 189 HA SER 24 HA SER 24 -1.699 -13.524 1.587 190 1HB SER 24 1HB SER 24 1.276 -13.727 1.842 191 2HB SER 24 2HB SER 24 0.365 -13.931 3.325 192 HG SER 24 HG SER 24 0.254 -15.967 2.598 193 H LEU 25 H LEU 25 -2.397 -12.866 3.727 194 HA LEU 25 HA LEU 25 -2.555 -10.177 4.159 195 1HB LEU 25 1HB LEU 25 -4.088 -11.610 5.201 196 2HB LEU 25 2HB LEU 25 -2.831 -12.557 5.972 197 HG LEU 25 HG LEU 25 -2.344 -10.794 7.535 198 1HD1 LEU 25 1HD1 LEU 25 -2.653 -8.902 5.958 199 2HD1 LEU 25 2HD1 LEU 25 -4.416 -9.085 6.134 200 3HD1 LEU 25 3HD1 LEU 25 -3.422 -8.640 7.542 201 1HD2 LEU 25 1HD2 LEU 25 -4.716 -12.218 7.464 202 2HD2 LEU 25 2HD2 LEU 25 -4.045 -11.347 8.863 203 3HD2 LEU 25 3HD2 LEU 25 -5.240 -10.552 7.808 204 H ALA 26 H ALA 26 -0.136 -12.525 5.451 205 HA ALA 26 HA ALA 26 1.177 -10.758 7.138 206 1HB ALA 26 1HB ALA 26 1.620 -13.083 7.330 207 2HB ALA 26 2HB ALA 26 2.019 -13.234 5.602 208 3HB ALA 26 3HB ALA 26 3.129 -12.381 6.701 209 H ASP 27 H ASP 27 1.654 -11.504 3.631 210 HA ASP 27 HA ASP 27 3.887 -9.907 3.326 211 1HB ASP 27 1HB ASP 27 3.405 -11.424 1.566 212 2HB ASP 27 2HB ASP 27 1.724 -10.938 1.476 213 H TRP 28 H TRP 28 0.361 -9.271 3.302 214 HA TRP 28 HA TRP 28 0.435 -6.731 2.115 215 1HB TRP 28 1HB TRP 28 -1.506 -8.296 3.748 216 2HB TRP 28 2HB TRP 28 -1.765 -6.569 3.602 217 HD1 TRP 28 HD TRP 28 -3.078 -9.447 2.014 218 HE1 TRP 28 1HE TRP 28 -3.797 -9.158 -0.509 219 HE3 TRP 28 3HE TRP 28 -0.450 -5.170 1.209 220 HZ2 TRP 28 2HZ TRP 28 -3.199 -7.216 -2.512 221 HZ3 TRP 28 3HZ TRP 28 -0.572 -4.142 -1.058 222 HH2 TRP 28 HH TRP 28 -1.887 -5.095 -2.885 223 H VAL 29 H VAL 29 0.059 -7.691 5.612 224 HA VAL 29 HA VAL 29 0.404 -5.158 6.647 225 HB VAL 29 HB VAL 29 1.143 -7.840 7.834 226 1HG1 VAL 29 1HG1 VAL 29 1.996 -5.660 8.953 227 2HG1 VAL 29 2HG1 VAL 29 0.292 -5.403 9.396 228 3HG1 VAL 29 3HG1 VAL 29 1.147 -6.860 9.957 229 1HG2 VAL 29 1HG2 VAL 29 -1.056 -8.249 7.611 230 2HG2 VAL 29 2HG2 VAL 29 -1.265 -7.079 8.935 231 3HG2 VAL 29 3HG2 VAL 29 -1.430 -6.547 7.244 232 H CYS 30 H CYS 30 2.893 -7.799 6.365 233 HA CYS 30 HA CYS 30 5.045 -6.483 7.259 234 1HB CYS 30 1HB CYS 30 4.782 -8.859 6.259 235 2HB CYS 30 2HB CYS 30 5.240 -8.114 4.740 236 H LEU 31 H LEU 31 3.892 -6.505 3.800 237 HA LEU 31 HA LEU 31 5.693 -4.722 2.781 238 1HB LEU 31 1HB LEU 31 4.051 -6.096 1.535 239 2HB LEU 31 2HB LEU 31 2.778 -5.003 2.037 240 HG LEU 31 HG LEU 31 5.144 -4.321 0.272 241 1HD1 LEU 31 1HD1 LEU 31 3.806 -5.303 -1.249 242 2HD1 LEU 31 2HD1 LEU 31 2.347 -5.135 -0.240 243 3HD1 LEU 31 3HD1 LEU 31 2.938 -3.749 -1.188 244 1HD2 LEU 31 1HD2 LEU 31 4.850 -2.297 1.285 245 2HD2 LEU 31 2HD2 LEU 31 3.629 -2.164 -0.002 246 3HD2 LEU 31 3HD2 LEU 31 3.135 -2.596 1.652 247 H ALA 32 H ALA 32 2.535 -4.035 4.412 248 HA ALA 32 HA ALA 32 2.733 -1.247 4.112 249 1HB ALA 32 1HB ALA 32 0.844 -3.087 4.974 250 2HB ALA 32 2HB ALA 32 1.266 -2.221 6.471 251 3HB ALA 32 3HB ALA 32 0.679 -1.317 5.055 252 H GLN 33 H GLN 33 4.269 -3.576 6.245 253 HA GLN 33 HA GLN 33 4.822 -1.692 8.285 254 1HB GLN 33 1HB GLN 33 4.689 -4.281 8.458 255 2HB GLN 33 2HB GLN 33 6.313 -4.296 7.800 256 1HG GLN 33 1HG GLN 33 6.265 -4.331 10.318 257 2HG GLN 33 2HG GLN 33 7.171 -2.981 9.665 258 1HE2 GLN 33 1HE2 GLN 33 3.669 -3.514 9.928 259 2HE2 GLN 33 2HE2 GLN 33 3.306 -2.141 10.919 260 H HIS 34 H HIS 34 6.863 -3.372 5.780 261 HA HIS 34 HA HIS 34 9.165 -1.935 6.306 262 1HB HIS 34 1HB HIS 34 8.728 -4.062 4.874 263 2HB HIS 34 2HB HIS 34 8.440 -2.940 3.560 264 HD1 HIS 34 1HD HIS 34 10.543 -1.163 3.140 265 HD2 HIS 34 2HD HIS 34 11.365 -4.713 5.218 266 HE1 HIS 34 1HE HIS 34 13.070 -1.492 3.020 267 HE2 HIS 34 2HE HIS 34 13.521 -3.660 4.360 268 H GLU 35 H GLU 35 6.199 -1.052 4.628 269 HA GLU 35 HA GLU 35 7.381 1.064 3.169 270 1HB GLU 35 1HB GLU 35 4.539 0.208 3.780 271 2HB GLU 35 2HB GLU 35 4.845 1.742 2.990 272 1HG GLU 35 1HG GLU 35 6.069 -0.843 1.950 273 2HG GLU 35 2HG GLU 35 4.455 -0.348 1.481 274 H SER 36 H SER 36 5.090 0.971 6.001 275 HA SER 36 HA SER 36 6.535 2.867 7.417 276 1HB SER 36 1HB SER 36 5.765 4.479 5.742 277 2HB SER 36 2HB SER 36 4.106 3.940 5.920 278 HG SER 36 HG SER 36 5.716 5.249 7.944 279 H ASN 37 H ASN 37 3.019 2.201 6.708 280 HA ASN 37 HA ASN 37 1.432 1.342 7.914 281 1HB ASN 37 1HB ASN 37 3.421 -0.330 8.551 282 2HB ASN 37 2HB ASN 37 3.324 0.452 10.117 283 1HD2 ASN 37 1HD2 ASN 37 2.032 -0.423 11.533 284 2HD2 ASN 37 2HD2 ASN 37 0.635 -1.399 11.224 285 H TYR 38 H TYR 38 0.732 1.281 10.587 286 HA TYR 38 HA TYR 38 0.150 2.522 12.329 287 1HB TYR 38 1HB TYR 38 2.920 3.577 11.576 288 2HB TYR 38 2HB TYR 38 2.040 4.381 12.862 289 HD1 TYR 38 1HD TYR 38 0.876 2.424 14.518 290 HD2 TYR 38 2HD TYR 38 4.559 2.149 12.359 291 HE1 TYR 38 1HE TYR 38 1.726 0.691 16.174 292 HE2 TYR 38 2HE TYR 38 5.397 0.417 14.021 293 HH TYR 38 HH TYR 38 3.383 -0.546 16.788 294 H ASN 39 H ASN 39 1.821 4.817 10.048 295 HA ASN 39 HA ASN 39 -0.703 6.235 9.895 296 1HB ASN 39 1HB ASN 39 0.670 7.461 11.564 297 2HB ASN 39 2HB ASN 39 2.029 7.501 10.459 298 1HD2 ASN 39 1HD2 ASN 39 -1.315 8.530 10.924 299 2HD2 ASN 39 2HD2 ASN 39 -1.256 9.960 9.949 300 H THR 40 H THR 40 -0.808 7.612 7.883 301 HA THR 40 HA THR 40 1.010 6.576 5.824 302 HB THR 40 HB THR 40 -0.826 6.869 4.321 303 HG1 THR 40 1HG THR 40 -1.686 8.625 6.501 304 1HG2 THR 40 1HG2 THR 40 -1.325 5.206 6.311 305 2HG2 THR 40 2HG2 THR 40 -2.404 6.495 6.897 306 3HG2 THR 40 3HG2 THR 40 -2.689 5.751 5.305 307 H ARG 41 H ARG 41 2.333 8.348 7.344 308 HA ARG 41 HA ARG 41 1.890 10.971 6.332 309 1HB ARG 41 1HB ARG 41 2.695 10.876 8.588 310 2HB ARG 41 2HB ARG 41 3.931 9.698 8.195 311 1HG ARG 41 1HG ARG 41 5.241 11.351 6.977 312 2HG ARG 41 2HG ARG 41 3.939 12.522 7.042 313 1HD ARG 41 1HD ARG 41 4.390 11.819 9.750 314 2HD ARG 41 2HD ARG 41 5.995 11.925 9.053 315 HE ARG 41 HE ARG 41 5.725 14.238 8.867 316 1HH1 ARG 41 2HH2 ARG 41 2.554 12.747 9.187 317 2HH1 ARG 41 1HH2 ARG 41 1.714 14.258 9.297 318 1HH2 ARG 41 2HH1 ARG 41 4.618 16.231 9.013 319 2HH2 ARG 41 1HH1 ARG 41 2.895 16.253 9.198 320 H ALA 42 H ALA 42 3.664 8.116 5.416 321 HA ALA 42 HA ALA 42 5.953 9.014 4.278 322 1HB ALA 42 1HB ALA 42 5.626 7.120 2.661 323 2HB ALA 42 2HB ALA 42 5.327 6.668 4.356 324 3HB ALA 42 3HB ALA 42 3.957 6.954 3.257 325 H THR 43 H THR 43 5.976 11.061 3.346 326 HA THR 43 HA THR 43 4.564 11.240 0.789 327 HB THR 43 HB THR 43 4.059 13.699 1.514 328 HG1 THR 43 1HG THR 43 5.537 13.305 3.447 329 1HG2 THR 43 1HG2 THR 43 2.717 11.348 2.949 330 2HG2 THR 43 2HG2 THR 43 2.083 13.011 2.960 331 3HG2 THR 43 3HG2 THR 43 2.183 12.107 1.430 332 H ASN 44 H ASN 44 5.961 11.661 -0.792 333 HA ASN 44 HA ASN 44 8.179 13.402 -0.126 334 1HB ASN 44 1HB ASN 44 8.513 10.635 -0.394 335 2HB ASN 44 2HB ASN 44 8.879 11.207 -2.010 336 1HD2 ASN 44 1HD2 ASN 44 10.289 13.226 -2.066 337 2HD2 ASN 44 2HD2 ASN 44 11.680 13.244 -1.034 338 H TYR 45 H TYR 45 7.114 15.052 -1.417 339 HA TYR 45 HA TYR 45 6.362 14.373 -4.133 340 1HB TYR 45 1HB TYR 45 5.414 16.650 -4.023 341 2HB TYR 45 2HB TYR 45 5.073 15.887 -2.484 342 HD1 TYR 45 1HD TYR 45 7.073 18.454 -4.198 343 HD2 TYR 45 2HD TYR 45 6.188 16.617 -0.437 344 HE1 TYR 45 1HE TYR 45 8.217 20.373 -2.985 345 HE2 TYR 45 2HE TYR 45 7.335 18.542 0.765 346 HH TYR 45 HH TYR 45 9.186 20.208 0.134 347 H ASN 46 H ASN 46 7.178 15.557 -6.005 348 HA ASN 46 HA ASN 46 9.491 17.160 -5.648 349 1HB ASN 46 1HB ASN 46 9.710 14.370 -6.882 350 2HB ASN 46 2HB ASN 46 10.897 15.622 -7.188 351 1HD2 ASN 46 1HD2 ASN 46 11.733 16.750 -5.180 352 2HD2 ASN 46 2HD2 ASN 46 12.156 15.756 -3.826 353 H ARG 47 H ARG 47 8.659 18.763 -7.035 354 HA ARG 47 HA ARG 47 7.148 18.036 -9.303 355 1HB ARG 47 1HB ARG 47 7.224 20.265 -7.763 356 2HB ARG 47 2HB ARG 47 8.327 20.800 -9.015 357 1HG ARG 47 1HG ARG 47 6.634 21.118 -10.499 358 2HG ARG 47 2HG ARG 47 5.983 19.517 -10.209 359 1HD ARG 47 1HD ARG 47 4.725 20.290 -8.266 360 2HD ARG 47 2HD ARG 47 5.542 21.840 -8.277 361 HE ARG 47 HE ARG 47 4.339 21.559 -10.823 362 1HH1 ARG 47 2HH2 ARG 47 3.307 21.779 -7.466 363 2HH1 ARG 47 1HH2 ARG 47 1.779 22.499 -7.850 364 1HH2 ARG 47 2HH1 ARG 47 2.325 22.510 -11.330 365 2HH2 ARG 47 1HH1 ARG 47 1.218 22.919 -10.063 366 H GLY 48 H GLY 48 10.533 18.889 -8.596 367 1HA GLY 48 1HA GLY 48 11.655 19.782 -10.828 368 2HA GLY 48 2HA GLY 48 12.368 18.488 -9.886 369 H ASP 49 H ASP 49 10.174 16.537 -10.433 370 HA ASP 49 HA ASP 49 10.508 16.215 -13.301 371 1HB ASP 49 1HB ASP 49 11.882 14.696 -11.359 372 2HB ASP 49 2HB ASP 49 10.537 13.669 -11.815 373 H GLN 50 H GLN 50 8.253 17.179 -11.657 374 HA GLN 50 HA GLN 50 6.195 16.697 -11.002 375 1HB GLN 50 1HB GLN 50 6.175 17.082 -13.528 376 2HB GLN 50 2HB GLN 50 6.067 15.345 -13.729 377 1HG GLN 50 1HG GLN 50 3.829 16.555 -13.760 378 2HG GLN 50 2HG GLN 50 3.931 15.242 -12.605 379 1HE2 GLN 50 1HE2 GLN 50 3.118 15.656 -10.711 380 2HE2 GLN 50 2HE2 GLN 50 3.053 17.184 -9.899 381 H SER 51 H SER 51 7.597 14.917 -9.593 382 HA SER 51 HA SER 51 5.979 12.524 -9.853 383 1HB SER 51 1HB SER 51 7.921 11.073 -9.409 384 2HB SER 51 2HB SER 51 8.166 11.994 -10.880 385 HG SER 51 HG SER 51 9.112 13.226 -8.517 386 H THR 52 H THR 52 5.382 11.601 -7.832 387 HA THR 52 HA THR 52 6.601 12.734 -5.435 388 HB THR 52 HB THR 52 3.669 12.975 -6.262 389 HG1 THR 52 1HG THR 52 4.350 15.225 -5.542 390 1HG2 THR 52 1HG2 THR 52 3.054 12.948 -4.064 391 2HG2 THR 52 2HG2 THR 52 4.717 12.505 -3.606 392 3HG2 THR 52 3HG2 THR 52 4.253 14.219 -3.726 393 H ASP 53 H ASP 53 6.936 11.243 -3.892 394 HA ASP 53 HA ASP 53 5.604 8.693 -4.351 395 1HB ASP 53 1HB ASP 53 8.136 9.167 -2.723 396 2HB ASP 53 2HB ASP 53 7.516 7.629 -3.291 397 H TYR 54 H TYR 54 3.851 8.607 -2.914 398 HA TYR 54 HA TYR 54 4.424 8.894 -0.099 399 1HB TYR 54 1HB TYR 54 2.705 10.639 0.184 400 2HB TYR 54 2HB TYR 54 3.781 11.199 -1.081 401 HD1 TYR 54 1HD TYR 54 0.482 11.133 -0.211 402 HD2 TYR 54 2HD TYR 54 2.975 10.099 -3.531 403 HE1 TYR 54 1HE TYR 54 -1.496 11.392 -1.787 404 HE2 TYR 54 2HE TYR 54 0.989 10.362 -5.096 405 HH TYR 54 HH TYR 54 -1.537 10.178 -4.843 406 H GLY 55 H GLY 55 2.425 8.276 1.232 407 1HA GLY 55 1HA GLY 55 0.203 7.277 1.076 408 2HA GLY 55 2HA GLY 55 0.777 6.351 -0.296 409 H ILE 56 H ILE 56 -0.345 5.327 2.241 410 HA ILE 56 HA ILE 56 1.502 4.486 4.066 411 HB ILE 56 HB ILE 56 -0.924 4.245 4.254 412 1HG1 ILE 56 1HG1 ILE 56 -0.105 1.440 4.618 413 2HG1 ILE 56 2HG1 ILE 56 1.030 2.599 5.280 414 1HG2 ILE 56 1HG2 ILE 56 -1.522 3.535 2.038 415 2HG2 ILE 56 2HG2 ILE 56 -0.577 2.036 2.211 416 3HG2 ILE 56 3HG2 ILE 56 -2.038 2.286 3.197 417 1HD1 ILE 56 1HD1 ILE 56 -0.493 3.436 6.831 418 2HD1 ILE 56 2HD1 ILE 56 -1.901 3.058 5.809 419 3HD1 ILE 56 3HD1 ILE 56 -1.074 1.759 6.701 420 H PHE 57 H PHE 57 0.922 3.337 0.747 421 HA PHE 57 HA PHE 57 2.928 1.252 1.182 422 1HB PHE 57 1HB PHE 57 0.687 1.846 -0.808 423 2HB PHE 57 2HB PHE 57 1.967 0.747 -1.280 424 HD1 PHE 57 1HD PHE 57 2.441 -0.669 1.298 425 HD2 PHE 57 2HD PHE 57 -1.175 0.455 -0.618 426 HE1 PHE 57 1HE PHE 57 1.246 -2.554 2.446 427 HE2 PHE 57 2HE PHE 57 -2.370 -1.431 0.531 428 HZ PHE 57 HZ PHE 57 -1.145 -2.913 2.049 429 H GLN 58 H GLN 58 3.355 4.285 0.818 430 HA GLN 58 HA GLN 58 4.470 5.689 -0.466 431 1HB GLN 58 1HB GLN 58 6.244 4.512 0.767 432 2HB GLN 58 2HB GLN 58 6.338 3.279 -0.474 433 1HG GLN 58 1HG GLN 58 7.599 4.592 -1.863 434 2HG GLN 58 2HG GLN 58 6.623 6.016 -1.562 435 1HE2 GLN 58 1HE2 GLN 58 6.848 6.996 0.641 436 2HE2 GLN 58 2HE2 GLN 58 8.436 7.116 1.321 437 H ILE 59 H ILE 59 2.974 5.817 -2.279 438 HA ILE 59 HA ILE 59 3.843 4.250 -4.604 439 HB ILE 59 HB ILE 59 1.195 5.444 -3.820 440 1HG1 ILE 59 1HG1 ILE 59 1.863 2.635 -4.726 441 2HG1 ILE 59 2HG1 ILE 59 1.940 3.132 -3.047 442 1HG2 ILE 59 1HG2 ILE 59 1.866 4.289 -6.538 443 2HG2 ILE 59 2HG2 ILE 59 0.311 4.964 -5.995 444 3HG2 ILE 59 3HG2 ILE 59 1.725 6.029 -6.189 445 1HD1 ILE 59 1HD1 ILE 59 -0.531 3.378 -4.826 446 2HD1 ILE 59 2HD1 ILE 59 -0.261 2.109 -3.606 447 3HD1 ILE 59 3HD1 ILE 59 -0.441 3.806 -3.100 448 H ASN 60 H ASN 60 4.209 5.325 -6.612 449 HA ASN 60 HA ASN 60 5.070 8.033 -6.190 450 1HB ASN 60 1HB ASN 60 5.735 5.814 -8.001 451 2HB ASN 60 2HB ASN 60 5.486 7.291 -8.910 452 1HD2 ASN 60 1HD2 ASN 60 6.475 9.294 -7.811 453 2HD2 ASN 60 2HD2 ASN 60 8.112 9.141 -7.265 454 H SER 61 H SER 61 4.127 9.848 -7.276 455 HA SER 61 HA SER 61 1.542 9.302 -8.422 456 1HB SER 61 1HB SER 61 1.842 11.076 -6.677 457 2HB SER 61 2HB SER 61 2.896 11.956 -7.766 458 HG SER 61 HG SER 61 0.665 11.449 -9.170 459 H ARG 62 H ARG 62 4.619 9.262 -9.578 460 HA ARG 62 HA ARG 62 4.153 10.909 -11.878 461 1HB ARG 62 1HB ARG 62 6.476 10.276 -12.503 462 2HB ARG 62 2HB ARG 62 6.414 10.843 -10.845 463 1HG ARG 62 1HG ARG 62 6.963 8.786 -9.977 464 2HG ARG 62 2HG ARG 62 5.965 7.918 -11.125 465 1HD ARG 62 1HD ARG 62 8.561 9.245 -12.000 466 2HD ARG 62 2HD ARG 62 8.561 7.640 -11.297 467 HE ARG 62 HE ARG 62 6.648 7.365 -13.225 468 1HH1 ARG 62 2HH2 ARG 62 9.883 8.745 -13.338 469 2HH1 ARG 62 1HH2 ARG 62 10.134 8.345 -15.005 470 1HH2 ARG 62 2HH1 ARG 62 6.979 6.835 -15.424 471 2HH2 ARG 62 1HH1 ARG 62 8.471 7.251 -16.199 472 H TYR 63 H TYR 63 2.858 8.088 -11.021 473 HA TYR 63 HA TYR 63 2.761 7.120 -13.751 474 1HB TYR 63 1HB TYR 63 4.273 5.952 -11.484 475 2HB TYR 63 2HB TYR 63 3.043 4.832 -12.034 476 HD1 TYR 63 1HD TYR 63 2.959 4.979 -14.872 477 HD2 TYR 63 2HD TYR 63 6.362 5.407 -12.314 478 HE1 TYR 63 1HE TYR 63 4.486 4.244 -16.767 479 HE2 TYR 63 2HE TYR 63 7.877 4.670 -14.218 480 HH TYR 63 HH TYR 63 7.768 3.436 -16.227 481 H TRP 64 H TRP 64 1.814 6.574 -10.293 482 HA TRP 64 HA TRP 64 -0.842 5.804 -11.286 483 1HB TRP 64 1HB TRP 64 0.534 5.171 -8.670 484 2HB TRP 64 2HB TRP 64 -1.126 4.762 -9.052 485 HD1 TRP 64 HD TRP 64 -1.450 2.870 -11.086 486 HE1 TRP 64 1HE TRP 64 0.039 0.844 -11.888 487 HE3 TRP 64 3HE TRP 64 2.853 4.491 -8.915 488 HZ2 TRP 64 2HZ TRP 64 2.788 0.162 -11.533 489 HZ3 TRP 64 3HZ TRP 64 4.894 3.085 -9.191 490 HH2 TRP 64 HH TRP 64 4.908 0.989 -10.447 491 H CYS 65 H CYS 65 -2.675 6.577 -9.802 492 HA CYS 65 HA CYS 65 -3.807 8.206 -8.866 493 1HB CYS 65 1HB CYS 65 -3.075 8.943 -6.893 494 2HB CYS 65 2HB CYS 65 -1.724 7.866 -7.186 495 H ASN 66 H ASN 66 -4.524 10.297 -9.503 496 HA ASN 66 HA ASN 66 -2.658 11.680 -11.267 497 1HB ASN 66 1HB ASN 66 -4.936 12.569 -12.294 498 2HB ASN 66 2HB ASN 66 -4.366 10.973 -12.740 499 1HD2 ASN 66 1HD2 ASN 66 -6.716 10.834 -13.249 500 2HD2 ASN 66 2HD2 ASN 66 -7.791 10.247 -12.024 501 H ASP 67 H ASP 67 -3.843 14.116 -11.608 502 HA ASP 67 HA ASP 67 -4.589 14.997 -8.937 503 1HB ASP 67 1HB ASP 67 -2.239 15.605 -9.261 504 2HB ASP 67 2HB ASP 67 -2.579 16.266 -10.848 505 H GLY 68 H GLY 68 -4.316 15.747 -12.480 506 1HA GLY 68 1HA GLY 68 -6.189 16.311 -13.786 507 2HA GLY 68 2HA GLY 68 -6.984 16.979 -12.374 508 H LYS 69 H LYS 69 -3.805 17.953 -12.057 509 HA LYS 69 HA LYS 69 -4.346 20.435 -13.534 510 1HB LYS 69 1HB LYS 69 -3.109 19.949 -10.827 511 2HB LYS 69 2HB LYS 69 -2.761 21.410 -11.729 512 1HG LYS 69 1HG LYS 69 -5.011 22.152 -11.664 513 2HG LYS 69 2HG LYS 69 -5.642 20.544 -11.375 514 1HD LYS 69 1HD LYS 69 -3.908 21.057 -9.184 515 2HD LYS 69 2HD LYS 69 -4.772 22.559 -9.439 516 1HE LYS 69 1HE LYS 69 -6.896 20.936 -9.628 517 2HE LYS 69 2HE LYS 69 -5.872 19.836 -8.727 518 1HZ LYS 69 1HZ LYS 69 -6.783 22.498 -7.925 519 2HZ LYS 69 2HZ LYS 69 -6.989 21.077 -7.145 520 3HZ LYS 69 3HZ LYS 69 -5.515 21.779 -7.187 521 H THR 70 H THR 70 -2.565 17.587 -13.510 522 HA THR 70 HA THR 70 -0.434 18.890 -15.060 523 HB THR 70 HB THR 70 -0.252 16.903 -12.762 524 HG1 THR 70 1HG THR 70 0.057 19.286 -12.570 525 1HG2 THR 70 1HG2 THR 70 1.909 16.202 -13.414 526 2HG2 THR 70 2HG2 THR 70 1.057 16.187 -14.977 527 3HG2 THR 70 3HG2 THR 70 2.109 17.557 -14.550 528 HA PRO 71 HA PRO 71 -2.304 15.844 -17.678 529 1HB PRO 71 1HB PRO 71 -2.077 17.263 -20.002 530 2HB PRO 71 2HB PRO 71 -3.491 17.334 -18.970 531 1HG PRO 71 1HG PRO 71 -1.341 19.335 -19.310 532 2HG PRO 71 2HG PRO 71 -2.944 19.550 -18.634 533 1HD PRO 71 1HD PRO 71 -0.481 19.343 -17.178 534 2HD PRO 71 2HD PRO 71 -2.095 19.441 -16.500 535 H ARG 72 H ARG 72 0.029 15.199 -16.664 536 HA ARG 72 HA ARG 72 1.474 14.564 -19.098 537 1HB ARG 72 1HB ARG 72 2.411 16.256 -16.945 538 2HB ARG 72 2HB ARG 72 3.357 14.781 -16.915 539 1HG ARG 72 1HG ARG 72 4.605 15.763 -18.554 540 2HG ARG 72 2HG ARG 72 3.296 15.313 -19.629 541 1HD ARG 72 1HD ARG 72 2.278 17.653 -18.639 542 2HD ARG 72 2HD ARG 72 3.989 18.004 -18.503 543 HE ARG 72 HE ARG 72 3.370 16.860 -21.096 544 1HH1 ARG 72 2HH2 ARG 72 3.212 19.846 -19.241 545 2HH1 ARG 72 1HH2 ARG 72 3.253 20.867 -20.639 546 1HH2 ARG 72 2HH1 ARG 72 3.424 18.207 -22.941 547 2HH2 ARG 72 1HH1 ARG 72 3.374 19.928 -22.758 548 H ALA 73 H ALA 73 1.334 13.979 -15.502 549 HA ALA 73 HA ALA 73 2.516 11.578 -15.317 550 1HB ALA 73 1HB ALA 73 -0.058 12.494 -13.973 551 2HB ALA 73 2HB ALA 73 0.977 11.162 -13.405 552 3HB ALA 73 3HB ALA 73 1.600 12.829 -13.421 553 H VAL 74 H VAL 74 1.609 9.326 -15.153 554 HA VAL 74 HA VAL 74 -0.513 8.951 -17.153 555 HB VAL 74 HB VAL 74 1.548 8.329 -18.153 556 1HG1 VAL 74 1HG1 VAL 74 2.911 8.181 -16.105 557 2HG1 VAL 74 2HG1 VAL 74 2.127 6.636 -15.698 558 3HG1 VAL 74 3HG1 VAL 74 3.141 6.763 -17.155 559 1HG2 VAL 74 1HG2 VAL 74 1.004 5.566 -17.570 560 2HG2 VAL 74 2HG2 VAL 74 -0.530 6.465 -17.646 561 3HG2 VAL 74 3HG2 VAL 74 0.597 6.511 -19.023 562 H ASN 75 H ASN 75 -1.397 9.348 -14.648 563 HA ASN 75 HA ASN 75 -1.315 7.571 -12.732 564 1HB ASN 75 1HB ASN 75 -3.780 7.993 -12.345 565 2HB ASN 75 2HB ASN 75 -2.883 9.461 -12.680 566 1HD2 ASN 75 1HD2 ASN 75 -5.605 9.310 -12.988 567 2HD2 ASN 75 2HD2 ASN 75 -6.042 9.437 -14.660 568 H ALA 76 H ALA 76 -0.967 5.346 -13.203 569 HA ALA 76 HA ALA 76 -2.637 4.041 -15.162 570 1HB ALA 76 1HB ALA 76 -0.035 3.726 -14.256 571 2HB ALA 76 2HB ALA 76 -0.892 2.379 -13.470 572 3HB ALA 76 3HB ALA 76 -0.939 2.550 -15.241 573 H CYS 77 H CYS 77 -2.822 4.887 -11.847 574 HA CYS 77 HA CYS 77 -4.344 2.539 -11.127 575 1HB CYS 77 1HB CYS 77 -2.703 3.622 -9.573 576 2HB CYS 77 2HB CYS 77 -3.769 5.010 -9.484 577 H GLY 78 H GLY 78 -4.695 6.032 -11.892 578 1HA GLY 78 1HA GLY 78 -6.493 7.225 -12.536 579 2HA GLY 78 2HA GLY 78 -7.383 5.729 -12.728 580 H ILE 79 H ILE 79 -5.905 7.518 -9.919 581 HA ILE 79 HA ILE 79 -8.546 7.713 -8.737 582 HB ILE 79 HB ILE 79 -8.213 6.417 -6.927 583 1HG1 ILE 79 1HG1 ILE 79 -6.192 7.727 -6.217 584 2HG1 ILE 79 2HG1 ILE 79 -6.182 6.034 -5.761 585 1HG2 ILE 79 1HG2 ILE 79 -6.963 4.328 -7.526 586 2HG2 ILE 79 2HG2 ILE 79 -8.151 4.865 -8.739 587 3HG2 ILE 79 3HG2 ILE 79 -6.414 5.151 -9.006 588 1HD1 ILE 79 1HD1 ILE 79 -4.420 5.522 -7.151 589 2HD1 ILE 79 2HD1 ILE 79 -4.960 6.649 -8.418 590 3HD1 ILE 79 3HD1 ILE 79 -4.086 7.264 -6.995 591 H ASN 80 H ASN 80 -8.686 9.389 -7.133 592 HA ASN 80 HA ASN 80 -7.162 11.577 -7.708 593 1HB ASN 80 1HB ASN 80 -9.073 10.771 -5.548 594 2HB ASN 80 2HB ASN 80 -8.005 12.094 -5.119 595 1HD2 ASN 80 1HD2 ASN 80 -10.935 11.858 -5.756 596 2HD2 ASN 80 2HD2 ASN 80 -11.261 13.078 -6.941 597 H CYS 81 H CYS 81 -5.072 12.171 -7.079 598 HA CYS 81 HA CYS 81 -3.388 10.488 -5.760 599 1HB CYS 81 1HB CYS 81 -3.357 13.402 -6.387 600 2HB CYS 81 2HB CYS 81 -2.169 12.806 -5.245 601 H SER 82 H SER 82 -5.656 12.962 -4.516 602 HA SER 82 HA SER 82 -4.651 13.162 -1.961 603 1HB SER 82 1HB SER 82 -6.713 14.309 -3.345 604 2HB SER 82 2HB SER 82 -7.622 13.248 -2.288 605 HG SER 82 HG SER 82 -7.369 14.787 -0.824 606 H ALA 83 H ALA 83 -6.431 10.595 -3.580 607 HA ALA 83 HA ALA 83 -7.613 9.387 -1.351 608 1HB ALA 83 1HB ALA 83 -7.784 9.030 -3.995 609 2HB ALA 83 2HB ALA 83 -6.595 7.751 -3.650 610 3HB ALA 83 3HB ALA 83 -8.185 7.728 -2.849 611 H LEU 84 H LEU 84 -4.307 9.818 -2.238 612 HA LEU 84 HA LEU 84 -3.493 7.473 -0.696 613 1HB LEU 84 1HB LEU 84 -1.856 9.356 -2.399 614 2HB LEU 84 2HB LEU 84 -1.273 7.906 -1.607 615 HG LEU 84 HG LEU 84 -3.119 8.146 -3.976 616 1HD1 LEU 84 1HD1 LEU 84 -0.500 6.719 -3.460 617 2HD1 LEU 84 2HD1 LEU 84 -1.484 6.500 -4.927 618 3HD1 LEU 84 3HD1 LEU 84 -0.802 8.099 -4.543 619 1HD2 LEU 84 1HD2 LEU 84 -4.360 6.523 -2.984 620 2HD2 LEU 84 2HD2 LEU 84 -3.083 5.493 -3.674 621 3HD2 LEU 84 3HD2 LEU 84 -3.019 5.961 -1.957 622 H LEU 85 H LEU 85 -4.519 10.518 -0.054 623 HA LEU 85 HA LEU 85 -2.760 10.678 2.270 624 1HB LEU 85 1HB LEU 85 -2.625 12.430 0.048 625 2HB LEU 85 2HB LEU 85 -3.383 13.321 1.353 626 HG LEU 85 HG LEU 85 -0.764 11.833 1.657 627 1HD1 LEU 85 1HD1 LEU 85 -0.340 13.475 -0.001 628 2HD1 LEU 85 2HD1 LEU 85 -1.279 14.709 0.875 629 3HD1 LEU 85 3HD1 LEU 85 0.270 14.131 1.537 630 1HD2 LEU 85 1HD2 LEU 85 -2.500 12.862 3.571 631 2HD2 LEU 85 2HD2 LEU 85 -0.790 12.427 3.800 632 3HD2 LEU 85 3HD2 LEU 85 -1.236 14.105 3.409 633 H GLN 86 H GLN 86 -5.692 9.950 1.287 634 HA GLN 86 HA GLN 86 -7.141 11.842 2.904 635 1HB GLN 86 1HB GLN 86 -8.009 9.505 1.155 636 2HB GLN 86 2HB GLN 86 -9.138 10.428 2.126 637 1HG GLN 86 1HG GLN 86 -7.469 12.288 0.664 638 2HG GLN 86 2HG GLN 86 -8.073 11.089 -0.463 639 1HE2 GLN 86 1HE2 GLN 86 -8.977 13.410 2.028 640 2HE2 GLN 86 2HE2 GLN 86 -10.598 13.712 1.495 641 H ASP 87 H ASP 87 -9.170 10.307 4.036 642 HA ASP 87 HA ASP 87 -7.718 9.122 6.177 643 1HB ASP 87 1HB ASP 87 -9.603 10.343 6.897 644 2HB ASP 87 2HB ASP 87 -10.605 9.772 5.578 645 H ASP 88 H ASP 88 -10.662 8.016 4.325 646 HA ASP 88 HA ASP 88 -10.455 5.389 4.946 647 1HB ASP 88 1HB ASP 88 -11.513 6.805 2.468 648 2HB ASP 88 2HB ASP 88 -11.656 5.068 2.643 649 H ILE 89 H ILE 89 -9.040 3.739 4.307 650 HA ILE 89 HA ILE 89 -6.996 4.429 2.380 651 HB ILE 89 HB ILE 89 -5.846 2.510 3.177 652 1HG1 ILE 89 1HG1 ILE 89 -7.922 1.640 5.109 653 2HG1 ILE 89 2HG1 ILE 89 -8.260 1.290 3.424 654 1HG2 ILE 89 1HG2 ILE 89 -7.178 3.984 5.466 655 2HG2 ILE 89 2HG2 ILE 89 -5.705 2.992 5.596 656 3HG2 ILE 89 3HG2 ILE 89 -5.702 4.466 4.597 657 1HD1 ILE 89 1HD1 ILE 89 -7.035 -0.598 4.291 658 2HD1 ILE 89 2HD1 ILE 89 -5.903 0.303 3.254 659 3HD1 ILE 89 3HD1 ILE 89 -5.803 0.458 5.024 660 H THR 90 H THR 90 -10.117 3.436 2.107 661 HA THR 90 HA THR 90 -10.220 1.140 0.667 662 HB THR 90 HB THR 90 -11.790 3.575 1.043 663 HG1 THR 90 1HG THR 90 -12.677 1.626 1.718 664 1HG2 THR 90 1HG2 THR 90 -13.097 3.524 -1.004 665 2HG2 THR 90 2HG2 THR 90 -11.401 3.725 -1.503 666 3HG2 THR 90 3HG2 THR 90 -12.181 2.129 -1.623 667 H ALA 91 H ALA 91 -8.943 4.297 -0.406 668 HA ALA 91 HA ALA 91 -8.727 3.457 -3.126 669 1HB ALA 91 1HB ALA 91 -8.933 5.849 -2.079 670 2HB ALA 91 2HB ALA 91 -7.171 5.718 -1.866 671 3HB ALA 91 3HB ALA 91 -7.881 5.609 -3.494 672 H ALA 92 H ALA 92 -6.596 3.603 -0.230 673 HA ALA 92 HA ALA 92 -4.207 3.010 -1.531 674 1HB ALA 92 1HB ALA 92 -3.496 2.271 0.758 675 2HB ALA 92 2HB ALA 92 -4.299 3.859 0.746 676 3HB ALA 92 3HB ALA 92 -5.188 2.417 1.289 677 H ILE 93 H ILE 93 -6.852 0.928 -0.253 678 HA ILE 93 HA ILE 93 -5.419 -1.477 -0.802 679 HB ILE 93 HB ILE 93 -8.372 -1.125 -0.301 680 1HG1 ILE 93 1HG1 ILE 93 -6.080 -1.209 1.677 681 2HG1 ILE 93 2HG1 ILE 93 -7.248 0.076 1.451 682 1HG2 ILE 93 1HG2 ILE 93 -7.142 -3.363 -1.069 683 2HG2 ILE 93 2HG2 ILE 93 -6.796 -3.457 0.675 684 3HG2 ILE 93 3HG2 ILE 93 -8.480 -3.358 0.105 685 1HD1 ILE 93 1HD1 ILE 93 -8.737 -2.339 1.890 686 2HD1 ILE 93 2HD1 ILE 93 -7.462 -2.257 3.128 687 3HD1 ILE 93 3HD1 ILE 93 -8.618 -0.915 2.951 688 H GLN 94 H GLN 94 -8.219 0.260 -2.326 689 HA GLN 94 HA GLN 94 -8.564 -1.511 -4.385 690 1HB GLN 94 1HB GLN 94 -9.988 0.535 -3.642 691 2HB GLN 94 2HB GLN 94 -8.949 1.488 -4.683 692 1HG GLN 94 1HG GLN 94 -10.507 0.941 -6.284 693 2HG GLN 94 2HG GLN 94 -9.550 -0.521 -6.419 694 1HE2 GLN 94 1HE2 GLN 94 -11.981 -0.806 -7.247 695 2HE2 GLN 94 2HE2 GLN 94 -13.013 -1.647 -6.138 696 H CYS 95 H CYS 95 -6.370 1.338 -4.100 697 HA CYS 95 HA CYS 95 -5.473 1.189 -6.766 698 1HB CYS 95 1HB CYS 95 -5.368 3.182 -5.209 699 2HB CYS 95 2HB CYS 95 -4.007 2.405 -4.423 700 H ALA 96 H ALA 96 -4.071 0.180 -3.561 701 HA ALA 96 HA ALA 96 -1.731 -0.901 -4.354 702 1HB ALA 96 1HB ALA 96 -2.180 -2.574 -2.439 703 2HB ALA 96 2HB ALA 96 -2.260 -0.840 -2.043 704 3HB ALA 96 3HB ALA 96 -3.760 -1.770 -2.274 705 H LYS 97 H LYS 97 -4.985 -2.495 -4.457 706 HA LYS 97 HA LYS 97 -3.933 -4.867 -5.615 707 1HB LYS 97 1HB LYS 97 -6.221 -5.575 -5.745 708 2HB LYS 97 2HB LYS 97 -5.973 -4.779 -4.204 709 1HG LYS 97 1HG LYS 97 -7.202 -2.867 -4.830 710 2HG LYS 97 2HG LYS 97 -6.928 -3.118 -6.542 711 1HD LYS 97 1HD LYS 97 -8.753 -4.483 -6.762 712 2HD LYS 97 2HD LYS 97 -8.400 -5.356 -5.284 713 1HE LYS 97 1HE LYS 97 -9.272 -3.344 -3.976 714 2HE LYS 97 2HE LYS 97 -9.767 -2.632 -5.498 715 1HZ LYS 97 1HZ LYS 97 -11.580 -3.808 -4.586 716 2HZ LYS 97 2HZ LYS 97 -11.077 -4.665 -5.881 717 3HZ LYS 97 3HZ LYS 97 -10.711 -5.173 -4.372 718 H ARG 98 H ARG 98 -5.449 -1.844 -6.829 719 HA ARG 98 HA ARG 98 -5.774 -2.719 -9.427 720 1HB ARG 98 1HB ARG 98 -6.769 -0.626 -8.398 721 2HB ARG 98 2HB ARG 98 -5.188 0.127 -8.462 722 1HG ARG 98 1HG ARG 98 -5.920 0.884 -10.504 723 2HG ARG 98 2HG ARG 98 -5.378 -0.687 -11.056 724 1HD ARG 98 1HD ARG 98 -7.651 -1.613 -10.835 725 2HD ARG 98 2HD ARG 98 -8.226 -0.130 -10.097 726 HE ARG 98 HE ARG 98 -7.022 0.368 -12.698 727 1HH1 ARG 98 2HH2 ARG 98 -9.965 -0.724 -11.109 728 2HH1 ARG 98 1HH2 ARG 98 -10.995 -0.272 -12.426 729 1HH2 ARG 98 2HH1 ARG 98 -8.380 0.963 -14.437 730 2HH2 ARG 98 1HH1 ARG 98 -10.088 0.693 -14.332 731 H VAL 99 H VAL 99 -2.936 -1.775 -7.593 732 HA VAL 99 HA VAL 99 -1.377 -1.223 -9.973 733 HB VAL 99 HB VAL 99 -0.838 -1.164 -7.007 734 1HG1 VAL 99 1HG1 VAL 99 1.073 -1.408 -9.214 735 2HG1 VAL 99 2HG1 VAL 99 1.347 0.039 -8.215 736 3HG1 VAL 99 3HG1 VAL 99 1.320 -1.573 -7.459 737 1HG2 VAL 99 1HG2 VAL 99 -0.198 1.293 -8.022 738 2HG2 VAL 99 2HG2 VAL 99 -1.534 0.807 -9.093 739 3HG2 VAL 99 3HG2 VAL 99 -1.781 0.861 -7.331 740 H VAL 100 H VAL 100 -1.292 -3.537 -7.167 741 HA VAL 100 HA VAL 100 0.696 -5.159 -8.215 742 HB VAL 100 HB VAL 100 -1.563 -5.585 -6.273 743 1HG1 VAL 100 1HG1 VAL 100 -0.294 -7.715 -5.632 744 2HG1 VAL 100 2HG1 VAL 100 -1.284 -7.776 -7.110 745 3HG1 VAL 100 3HG1 VAL 100 0.484 -7.598 -7.229 746 1HG2 VAL 100 1HG2 VAL 100 1.059 -4.467 -6.127 747 2HG2 VAL 100 2HG2 VAL 100 -0.131 -4.686 -4.822 748 3HG2 VAL 100 3HG2 VAL 100 1.049 -5.971 -5.176 749 H ARG 101 H ARG 101 -2.727 -4.831 -9.018 750 HA ARG 101 HA ARG 101 -3.241 -7.283 -10.050 751 1HB ARG 101 1HB ARG 101 -4.293 -4.549 -10.355 752 2HB ARG 101 2HB ARG 101 -4.479 -5.467 -11.836 753 1HG ARG 101 1HG ARG 101 -5.402 -7.374 -10.270 754 2HG ARG 101 2HG ARG 101 -5.583 -6.102 -9.079 755 1HD ARG 101 1HD ARG 101 -7.413 -5.230 -10.132 756 2HD ARG 101 2HD ARG 101 -6.633 -5.272 -11.701 757 HE ARG 101 HE ARG 101 -7.190 -7.945 -11.178 758 1HH1 ARG 101 2HH2 ARG 101 -9.113 -5.000 -11.286 759 2HH1 ARG 101 1HH2 ARG 101 -10.563 -5.812 -11.771 760 1HH2 ARG 101 2HH1 ARG 101 -9.104 -9.018 -11.819 761 2HH2 ARG 101 1HH1 ARG 101 -10.559 -8.114 -12.076 762 H ASP 102 H ASP 102 -0.972 -4.882 -11.141 763 HA ASP 102 HA ASP 102 -1.019 -5.581 -13.870 764 1HB ASP 102 1HB ASP 102 0.305 -3.682 -12.161 765 2HB ASP 102 2HB ASP 102 1.558 -4.547 -13.028 766 HA PRO 103 HA PRO 103 1.971 -8.808 -13.803 767 1HB PRO 103 1HB PRO 103 3.872 -8.196 -15.669 768 2HB PRO 103 2HB PRO 103 2.291 -8.828 -16.083 769 1HG PRO 103 1HG PRO 103 3.310 -6.066 -16.344 770 2HG PRO 103 2HG PRO 103 1.924 -6.803 -17.124 771 1HD PRO 103 1HD PRO 103 1.880 -4.988 -14.903 772 2HD PRO 103 2HD PRO 103 0.505 -5.815 -15.609 773 H GLN 104 H GLN 104 2.743 -5.964 -12.483 774 HA GLN 104 HA GLN 104 5.488 -6.366 -12.059 775 1HB GLN 104 1HB GLN 104 3.519 -4.710 -10.421 776 2HB GLN 104 2HB GLN 104 5.263 -4.541 -10.406 777 1HG GLN 104 1HG GLN 104 4.046 -4.410 -13.121 778 2HG GLN 104 2HG GLN 104 3.555 -3.112 -12.050 779 1HE2 GLN 104 1HE2 GLN 104 4.706 -1.379 -12.370 780 2HE2 GLN 104 2HE2 GLN 104 6.413 -1.281 -12.642 781 H GLY 105 H GLY 105 2.650 -6.636 -9.787 782 1HA GLY 105 1HA GLY 105 2.240 -8.268 -8.243 783 2HA GLY 105 2HA GLY 105 3.761 -9.044 -8.631 784 H ILE 106 H ILE 106 2.790 -8.619 -5.947 785 HA ILE 106 HA ILE 106 3.556 -6.421 -4.610 786 HB ILE 106 HB ILE 106 3.639 -9.336 -3.945 787 1HG1 ILE 106 1HG1 ILE 106 1.498 -8.026 -4.125 788 2HG1 ILE 106 2HG1 ILE 106 1.754 -8.844 -2.597 789 1HG2 ILE 106 1HG2 ILE 106 4.406 -7.150 -1.992 790 2HG2 ILE 106 2HG2 ILE 106 4.280 -8.896 -1.669 791 3HG2 ILE 106 3HG2 ILE 106 5.549 -8.281 -2.754 792 1HD1 ILE 106 1HD1 ILE 106 2.774 -6.027 -2.809 793 2HD1 ILE 106 2HD1 ILE 106 1.012 -6.257 -2.727 794 3HD1 ILE 106 3HD1 ILE 106 2.050 -6.871 -1.418 795 H ARG 107 H ARG 107 5.636 -8.706 -6.309 796 HA ARG 107 HA ARG 107 7.976 -8.596 -5.178 797 1HB ARG 107 1HB ARG 107 7.260 -9.334 -7.608 798 2HB ARG 107 2HB ARG 107 7.806 -7.741 -8.095 799 1HG ARG 107 1HG ARG 107 9.969 -8.451 -6.634 800 2HG ARG 107 2HG ARG 107 9.410 -10.061 -7.040 801 1HD ARG 107 1HD ARG 107 9.670 -9.706 -9.380 802 2HD ARG 107 2HD ARG 107 9.645 -7.962 -9.219 803 HE ARG 107 HE ARG 107 11.884 -9.058 -7.759 804 1HH1 ARG 107 2HH2 ARG 107 10.791 -8.348 -11.028 805 2HH1 ARG 107 1HH2 ARG 107 12.392 -8.168 -11.662 806 1HH2 ARG 107 2HH1 ARG 107 13.998 -8.821 -8.595 807 2HH2 ARG 107 1HH1 ARG 107 14.229 -8.438 -10.268 808 H ALA 108 H ALA 108 6.311 -5.811 -6.676 809 HA ALA 108 HA ALA 108 8.292 -4.002 -7.011 810 1HB ALA 108 1HB ALA 108 6.472 -2.329 -6.212 811 2HB ALA 108 2HB ALA 108 6.097 -3.378 -7.600 812 3HB ALA 108 3HB ALA 108 5.452 -3.770 -5.989 813 H TRP 109 H TRP 109 6.901 -5.209 -3.941 814 HA TRP 109 HA TRP 109 8.720 -3.423 -2.491 815 1HB TRP 109 1HB TRP 109 6.371 -5.021 -1.458 816 2HB TRP 109 2HB TRP 109 7.357 -3.903 -0.536 817 HD1 TRP 109 HD TRP 109 6.984 -1.229 -1.072 818 HE1 TRP 109 1HE TRP 109 4.994 0.167 -2.100 819 HE3 TRP 109 3HE TRP 109 4.592 -5.195 -3.172 820 HZ2 TRP 109 2HZ TRP 109 2.694 -0.528 -3.641 821 HZ3 TRP 109 3HZ TRP 109 2.480 -4.750 -4.420 822 HH2 TRP 109 HH TRP 109 1.528 -2.513 -4.671 823 H VAL 110 H VAL 110 10.074 -5.359 -3.853 824 HA VAL 110 HA VAL 110 10.258 -7.886 -2.949 825 HB VAL 110 HB VAL 110 11.565 -6.836 -4.760 826 1HG1 VAL 110 1HG1 VAL 110 13.714 -5.981 -2.885 827 2HG1 VAL 110 2HG1 VAL 110 13.230 -5.312 -4.461 828 3HG1 VAL 110 3HG1 VAL 110 12.285 -4.928 -3.003 829 1HG2 VAL 110 1HG2 VAL 110 12.281 -9.000 -4.241 830 2HG2 VAL 110 2HG2 VAL 110 13.779 -8.042 -4.162 831 3HG2 VAL 110 3HG2 VAL 110 12.944 -8.510 -2.663 832 H ALA 111 H ALA 111 10.926 -4.935 -1.164 833 HA ALA 111 HA ALA 111 12.727 -5.673 0.708 834 1HB ALA 111 1HB ALA 111 11.774 -3.463 0.653 835 2HB ALA 111 2HB ALA 111 10.142 -4.094 0.981 836 3HB ALA 111 3HB ALA 111 11.392 -4.161 2.245 837 H TRP 112 H TRP 112 9.181 -6.433 0.698 838 HA TRP 112 HA TRP 112 9.160 -7.800 3.119 839 1HB TRP 112 1HB TRP 112 7.017 -7.654 2.621 840 2HB TRP 112 2HB TRP 112 7.373 -7.270 0.948 841 HD1 TRP 112 HD TRP 112 7.368 -9.389 -0.810 842 HE1 TRP 112 1HE TRP 112 6.245 -11.777 -0.788 843 HE3 TRP 112 3HE TRP 112 6.424 -9.480 4.186 844 HZ2 TRP 112 2HZ TRP 112 5.114 -13.400 1.269 845 HZ3 TRP 112 3HZ TRP 112 5.308 -11.503 5.121 846 HH2 TRP 112 HH TRP 112 4.657 -13.419 3.749 847 H ARG 113 H ARG 113 10.080 -8.728 -0.216 848 HA ARG 113 HA ARG 113 10.217 -11.475 0.407 849 1HB ARG 113 1HB ARG 113 9.966 -10.243 -1.925 850 2HB ARG 113 2HB ARG 113 11.717 -10.165 -1.889 851 1HG ARG 113 1HG ARG 113 11.235 -12.820 -1.188 852 2HG ARG 113 2HG ARG 113 9.942 -12.500 -2.327 853 1HD ARG 113 1HD ARG 113 11.387 -12.254 -4.118 854 2HD ARG 113 2HD ARG 113 12.627 -11.478 -3.153 855 HE ARG 113 HE ARG 113 12.456 -14.176 -2.275 856 1HH1 ARG 113 2HH2 ARG 113 13.365 -12.397 -5.172 857 2HH1 ARG 113 1HH2 ARG 113 14.487 -13.600 -5.714 858 1HH2 ARG 113 2HH1 ARG 113 13.935 -15.764 -2.989 859 2HH2 ARG 113 1HH1 ARG 113 14.813 -15.529 -4.464 860 H ALA 114 H ALA 114 12.129 -8.794 1.245 861 HA ALA 114 HA ALA 114 14.448 -10.543 1.682 862 1HB ALA 114 1HB ALA 114 14.236 -7.946 0.269 863 2HB ALA 114 2HB ALA 114 15.547 -8.040 1.469 864 3HB ALA 114 3HB ALA 114 15.470 -9.222 0.141 865 H HIS 115 H HIS 115 12.075 -9.917 3.372 866 HA HIS 115 HA HIS 115 13.575 -9.041 5.660 867 1HB HIS 115 1HB HIS 115 12.265 -7.072 4.302 868 2HB HIS 115 2HB HIS 115 11.008 -7.588 5.407 869 HD1 HIS 115 1HD HIS 115 11.032 -6.421 7.611 870 HD2 HIS 115 2HD HIS 115 14.839 -6.536 5.852 871 HE1 HIS 115 1HE HIS 115 12.577 -5.112 9.164 872 HE2 HIS 115 2HE HIS 115 14.912 -5.265 8.059 873 H CYS 116 H CYS 116 10.372 -9.948 4.246 874 HA CYS 116 HA CYS 116 9.636 -11.182 6.751 875 1HB CYS 116 1HB CYS 116 8.248 -10.162 4.430 876 2HB CYS 116 2HB CYS 116 7.734 -11.803 4.772 877 H GLN 117 H GLN 117 10.214 -12.049 3.269 878 HA GLN 117 HA GLN 117 9.889 -14.779 3.651 879 1HB GLN 117 1HB GLN 117 10.767 -12.965 1.520 880 2HB GLN 117 2HB GLN 117 11.675 -14.463 1.493 881 1HG GLN 117 1HG GLN 117 8.899 -15.111 1.975 882 2HG GLN 117 2HG GLN 117 8.968 -14.004 0.617 883 1HE2 GLN 117 1HE2 GLN 117 8.688 -15.234 -1.102 884 2HE2 GLN 117 2HE2 GLN 117 9.627 -16.621 -1.545 885 H ASN 118 H ASN 118 11.221 -14.522 5.858 886 HA ASN 118 HA ASN 118 13.709 -15.805 5.301 887 1HB ASN 118 1HB ASN 118 13.992 -13.142 5.502 888 2HB ASN 118 2HB ASN 118 13.855 -13.459 7.220 889 1HD2 ASN 118 1HD2 ASN 118 15.562 -14.126 8.315 890 2HD2 ASN 118 2HD2 ASN 118 17.078 -14.638 7.653 891 H ARG 119 H ARG 119 11.494 -14.220 7.695 892 HA ARG 119 HA ARG 119 11.941 -16.528 9.412 893 1HB ARG 119 1HB ARG 119 12.740 -14.048 10.121 894 2HB ARG 119 2HB ARG 119 11.059 -13.888 10.589 895 1HG ARG 119 1HG ARG 119 11.508 -15.003 12.508 896 2HG ARG 119 2HG ARG 119 11.886 -16.434 11.569 897 1HD ARG 119 1HD ARG 119 13.955 -14.234 11.944 898 2HD ARG 119 2HD ARG 119 13.728 -15.468 13.168 899 HE ARG 119 HE ARG 119 14.020 -16.616 10.504 900 1HH1 ARG 119 2HH2 ARG 119 15.799 -15.337 13.257 901 2HH1 ARG 119 1HH2 ARG 119 17.245 -16.220 12.896 902 1HH2 ARG 119 2HH1 ARG 119 15.926 -17.782 10.028 903 2HH2 ARG 119 1HH1 ARG 119 17.317 -17.621 11.047 904 H ASP 120 H ASP 120 9.904 -16.043 11.310 905 HA ASP 120 HA ASP 120 7.598 -16.456 9.624 906 1HB ASP 120 1HB ASP 120 8.295 -18.016 11.555 907 2HB ASP 120 2HB ASP 120 7.815 -16.737 12.654 908 H LEU 121 H LEU 121 6.749 -14.393 9.095 909 HA LEU 121 HA LEU 121 6.489 -12.470 11.284 910 1HB LEU 121 1HB LEU 121 7.627 -11.974 9.023 911 2HB LEU 121 2HB LEU 121 6.003 -11.928 8.367 912 HG LEU 121 HG LEU 121 6.321 -10.278 10.777 913 1HD1 LEU 121 1HD1 LEU 121 8.409 -10.170 8.799 914 2HD1 LEU 121 2HD1 LEU 121 7.485 -8.648 8.795 915 3HD1 LEU 121 3HD1 LEU 121 8.221 -9.239 10.305 916 1HD2 LEU 121 1HD2 LEU 121 4.736 -9.020 9.795 917 2HD2 LEU 121 2HD2 LEU 121 5.521 -9.081 8.197 918 3HD2 LEU 121 3HD2 LEU 121 4.524 -10.447 8.752 919 H SER 122 H SER 122 4.839 -15.030 10.653 920 HA SER 122 HA SER 122 2.330 -14.004 9.852 921 1HB SER 122 1HB SER 122 3.527 -16.591 10.398 922 2HB SER 122 2HB SER 122 1.994 -16.481 11.239 923 HG SER 122 HG SER 122 2.395 -15.929 8.421 924 H GLN 123 H GLN 123 4.135 -14.229 12.844 925 HA GLN 123 HA GLN 123 1.900 -14.272 14.558 926 1HB GLN 123 1HB GLN 123 4.233 -15.015 15.170 927 2HB GLN 123 2HB GLN 123 4.746 -13.341 15.139 928 1HG GLN 123 1HG GLN 123 4.194 -13.370 17.364 929 2HG GLN 123 2HG GLN 123 2.559 -13.128 16.780 930 1HE2 GLN 123 1HE2 GLN 123 1.710 -14.162 18.579 931 2HE2 GLN 123 2HE2 GLN 123 1.730 -15.882 18.776 932 H TYR 124 H TYR 124 3.251 -11.879 12.509 933 HA TYR 124 HA TYR 124 2.725 -9.612 14.166 934 1HB TYR 124 1HB TYR 124 4.136 -10.276 11.831 935 2HB TYR 124 2HB TYR 124 2.743 -9.449 11.159 936 HD1 TYR 124 1HD TYR 124 5.083 -8.911 14.057 937 HD2 TYR 124 2HD TYR 124 3.089 -7.218 10.672 938 HE1 TYR 124 1HE TYR 124 6.181 -6.666 14.524 939 HE2 TYR 124 2HE TYR 124 4.193 -4.978 11.151 940 HH TYR 124 HH TYR 124 5.919 -4.025 12.259 941 H ILE 125 H ILE 125 0.922 -11.574 11.802 942 HA ILE 125 HA ILE 125 -1.244 -9.613 11.868 943 HB ILE 125 HB ILE 125 -2.174 -10.953 10.015 944 1HG1 ILE 125 1HG1 ILE 125 0.358 -12.378 9.502 945 2HG1 ILE 125 2HG1 ILE 125 -0.531 -12.968 10.893 946 1HG2 ILE 125 1HG2 ILE 125 -0.867 -8.976 9.533 947 2HG2 ILE 125 2HG2 ILE 125 0.645 -9.908 9.637 948 3HG2 ILE 125 3HG2 ILE 125 -0.514 -10.239 8.329 949 1HD1 ILE 125 1HD1 ILE 125 -2.050 -13.983 9.558 950 2HD1 ILE 125 2HD1 ILE 125 -2.390 -12.451 8.719 951 3HD1 ILE 125 3HD1 ILE 125 -1.068 -13.500 8.153 952 H ARG 126 H ARG 126 -0.287 -12.911 12.825 953 HA ARG 126 HA ARG 126 -2.942 -13.540 13.635 954 1HB ARG 126 1HB ARG 126 -1.300 -15.267 12.804 955 2HB ARG 126 2HB ARG 126 -0.303 -14.980 14.217 956 1HG ARG 126 1HG ARG 126 -1.578 -16.859 14.861 957 2HG ARG 126 2HG ARG 126 -2.448 -15.534 15.609 958 1HD ARG 126 1HD ARG 126 -3.753 -15.537 13.243 959 2HD ARG 126 2HD ARG 126 -3.218 -17.205 13.218 960 HE ARG 126 HE ARG 126 -5.163 -16.010 15.085 961 1HH1 ARG 126 2HH2 ARG 126 -3.073 -18.756 14.391 962 2HH1 ARG 126 1HH2 ARG 126 -3.948 -19.842 15.418 963 1HH2 ARG 126 2HH1 ARG 126 -6.315 -17.444 16.440 964 2HH2 ARG 126 1HH1 ARG 126 -5.803 -19.092 16.591 965 H ASN 127 H ASN 127 -3.789 -12.609 15.476 966 HA ASN 127 HA ASN 127 -2.971 -13.061 17.946 967 1HB ASN 127 1HB ASN 127 -1.157 -11.125 16.736 968 2HB ASN 127 2HB ASN 127 -2.037 -10.341 18.034 969 1HD2 ASN 127 1HD2 ASN 127 -1.072 -10.412 19.900 970 2HD2 ASN 127 2HD2 ASN 127 -0.069 -11.678 20.526 971 H CYS 128 H CYS 128 -4.214 -10.789 15.532 972 HA CYS 128 HA CYS 128 -5.699 -9.194 17.343 973 1HB CYS 128 1HB CYS 128 -4.926 -8.951 14.729 974 2HB CYS 128 2HB CYS 128 -6.626 -9.336 14.551 975 H GLY 129 H GLY 129 -6.056 -12.319 15.768 976 1HA GLY 129 1HA GLY 129 -7.652 -13.843 16.683 977 2HA GLY 129 2HA GLY 129 -8.790 -12.524 16.863 978 H VAL 130 H VAL 130 -6.691 -12.972 13.988 979 HA VAL 130 HA VAL 130 -9.093 -13.129 12.368 980 HB VAL 130 HB VAL 130 -6.178 -12.594 11.873 981 1HG1 VAL 130 1HG1 VAL 130 -6.552 -12.564 9.478 982 2HG1 VAL 130 2HG1 VAL 130 -6.964 -14.173 10.117 983 3HG1 VAL 130 3HG1 VAL 130 -8.256 -13.022 9.701 984 1HG2 VAL 130 1HG2 VAL 130 -7.729 -10.720 10.541 985 2HG2 VAL 130 2HG2 VAL 130 -8.660 -11.047 12.023 986 3HG2 VAL 130 3HG2 VAL 130 -6.966 -10.511 12.135 Start of MODEL 12 1 H LYS 1 H LYS 1 -6.866 9.171 9.669 2 HA LYS 1 HA LYS 1 -6.154 6.859 8.630 3 1HB LYS 1 1HB LYS 1 -4.905 8.019 7.047 4 2HB LYS 1 2HB LYS 1 -5.996 9.240 7.667 5 1HG LYS 1 1HG LYS 1 -3.728 9.302 9.391 6 2HG LYS 1 2HG LYS 1 -3.080 9.164 7.768 7 1HD LYS 1 1HD LYS 1 -3.667 11.300 7.241 8 2HD LYS 1 2HD LYS 1 -5.298 11.082 7.845 9 1HE LYS 1 1HE LYS 1 -3.060 11.329 9.859 10 2HE LYS 1 2HE LYS 1 -3.586 12.780 9.028 11 1HZ LYS 1 1HZ LYS 1 -5.576 11.016 10.217 12 2HZ LYS 1 2HZ LYS 1 -4.754 12.058 11.168 13 3HZ LYS 1 3HZ LYS 1 -5.664 12.622 9.933 14 H VAL 2 H VAL 2 -5.617 6.293 11.271 15 HA VAL 2 HA VAL 2 -2.747 5.714 11.127 16 HB VAL 2 HB VAL 2 -4.325 6.747 13.488 17 1HG1 VAL 2 1HG1 VAL 2 -2.661 6.141 14.958 18 2HG1 VAL 2 2HG1 VAL 2 -2.606 4.763 13.833 19 3HG1 VAL 2 3HG1 VAL 2 -1.411 6.074 13.693 20 1HG2 VAL 2 1HG2 VAL 2 -1.741 7.845 12.368 21 2HG2 VAL 2 2HG2 VAL 2 -3.328 8.342 11.733 22 3HG2 VAL 2 3HG2 VAL 2 -2.921 8.635 13.442 23 H TYR 3 H TYR 3 -2.342 3.565 11.257 24 HA TYR 3 HA TYR 3 -3.985 1.890 12.914 25 1HB TYR 3 1HB TYR 3 -4.908 0.608 11.074 26 2HB TYR 3 2HB TYR 3 -5.105 2.270 10.553 27 HD1 TYR 3 1HD TYR 3 -2.501 -0.437 10.380 28 HD2 TYR 3 2HD TYR 3 -4.499 2.770 8.374 29 HE1 TYR 3 1HE TYR 3 -1.194 -0.940 8.258 30 HE2 TYR 3 2HE TYR 3 -3.186 2.256 6.259 31 HH TYR 3 HH TYR 3 -2.005 0.555 5.244 32 H GLU 4 H GLU 4 -3.098 -0.317 13.091 33 HA GLU 4 HA GLU 4 -0.338 -0.387 12.147 34 1HB GLU 4 1HB GLU 4 0.302 -1.511 14.220 35 2HB GLU 4 2HB GLU 4 -0.502 -0.003 14.609 36 1HG GLU 4 1HG GLU 4 -2.471 -2.148 14.377 37 2HG GLU 4 2HG GLU 4 -1.207 -2.616 15.496 38 H ARG 5 H ARG 5 0.419 -2.949 12.644 39 HA ARG 5 HA ARG 5 -0.488 -4.380 10.629 40 1HB ARG 5 1HB ARG 5 0.047 -6.461 12.205 41 2HB ARG 5 2HB ARG 5 1.329 -5.362 11.737 42 1HG ARG 5 1HG ARG 5 0.097 -4.221 14.058 43 2HG ARG 5 2HG ARG 5 0.297 -5.929 14.396 44 1HD ARG 5 1HD ARG 5 2.658 -5.844 14.134 45 2HD ARG 5 2HD ARG 5 2.600 -4.377 13.177 46 HE ARG 5 HE ARG 5 1.540 -3.597 15.624 47 1HH1 ARG 5 2HH2 ARG 5 4.539 -5.137 14.614 48 2HH1 ARG 5 1HH2 ARG 5 5.466 -4.478 15.921 49 1HH2 ARG 5 2HH1 ARG 5 2.763 -2.727 17.348 50 2HH2 ARG 5 1HH1 ARG 5 4.450 -3.098 17.486 51 H CYS 6 H CYS 6 -1.653 -4.959 14.039 52 HA CYS 6 HA CYS 6 -3.620 -6.714 13.542 53 1HB CYS 6 1HB CYS 6 -3.671 -4.418 15.510 54 2HB CYS 6 2HB CYS 6 -4.795 -5.763 15.529 55 H GLU 7 H GLU 7 -4.562 -3.284 14.215 56 HA GLU 7 HA GLU 7 -6.955 -3.207 13.209 57 1HB GLU 7 1HB GLU 7 -4.763 -1.250 13.384 58 2HB GLU 7 2HB GLU 7 -5.907 -0.842 12.122 59 1HG GLU 7 1HG GLU 7 -6.823 -1.606 14.924 60 2HG GLU 7 2HG GLU 7 -6.404 0.045 14.511 61 H PHE 8 H PHE 8 -4.137 -2.387 11.047 62 HA PHE 8 HA PHE 8 -5.427 -2.270 8.689 63 1HB PHE 8 1HB PHE 8 -2.873 -2.138 9.483 64 2HB PHE 8 2HB PHE 8 -2.825 -3.835 9.050 65 HD1 PHE 8 1HD PHE 8 -4.579 -1.032 7.337 66 HD2 PHE 8 2HD PHE 8 -1.476 -3.920 7.159 67 HE1 PHE 8 1HE PHE 8 -4.137 -0.409 4.946 68 HE2 PHE 8 2HE PHE 8 -1.033 -3.298 4.769 69 HZ PHE 8 HZ PHE 8 -2.369 -1.549 3.690 70 H ALA 9 H ALA 9 -3.984 -5.294 10.110 71 HA ALA 9 HA ALA 9 -4.718 -7.031 8.132 72 1HB ALA 9 1HB ALA 9 -3.303 -7.388 10.247 73 2HB ALA 9 2HB ALA 9 -4.841 -7.685 11.092 74 3HB ALA 9 3HB ALA 9 -4.347 -8.739 9.745 75 H ARG 10 H ARG 10 -6.629 -6.051 11.060 76 HA ARG 10 HA ARG 10 -8.793 -7.619 10.563 77 1HB ARG 10 1HB ARG 10 -8.389 -6.244 12.636 78 2HB ARG 10 2HB ARG 10 -8.787 -4.792 11.739 79 1HG ARG 10 1HG ARG 10 -11.048 -5.221 11.775 80 2HG ARG 10 2HG ARG 10 -10.833 -6.944 11.535 81 1HD ARG 10 1HD ARG 10 -10.854 -7.387 13.787 82 2HD ARG 10 2HD ARG 10 -9.828 -6.017 14.165 83 HE ARG 10 HE ARG 10 -12.572 -5.301 13.366 84 1HH1 ARG 10 2HH2 ARG 10 -10.401 -6.040 16.035 85 2HH1 ARG 10 1HH2 ARG 10 -11.387 -5.254 17.223 86 1HH2 ARG 10 2HH1 ARG 10 -13.873 -4.264 14.933 87 2HH2 ARG 10 1HH1 ARG 10 -13.375 -4.237 16.591 88 H THR 11 H THR 11 -8.326 -4.117 9.659 89 HA THR 11 HA THR 11 -10.681 -3.824 8.225 90 HB THR 11 HB THR 11 -7.925 -2.509 8.056 91 HG1 THR 11 1HG THR 11 -10.590 -1.940 9.149 92 1HG2 THR 11 1HG2 THR 11 -8.996 -0.666 6.861 93 2HG2 THR 11 2HG2 THR 11 -9.304 -2.148 5.925 94 3HG2 THR 11 3HG2 THR 11 -10.584 -1.465 6.957 95 H LEU 12 H LEU 12 -7.390 -4.701 6.978 96 HA LEU 12 HA LEU 12 -8.029 -4.929 4.345 97 1HB LEU 12 1HB LEU 12 -5.919 -5.691 6.079 98 2HB LEU 12 2HB LEU 12 -6.295 -7.086 5.087 99 HG LEU 12 HG LEU 12 -6.241 -5.089 3.206 100 1HD1 LEU 12 1HD1 LEU 12 -4.354 -3.661 3.584 101 2HD1 LEU 12 2HD1 LEU 12 -5.479 -3.477 4.951 102 3HD1 LEU 12 3HD1 LEU 12 -3.999 -4.451 5.139 103 1HD2 LEU 12 1HD2 LEU 12 -3.839 -6.705 4.096 104 2HD2 LEU 12 2HD2 LEU 12 -5.192 -7.348 3.136 105 3HD2 LEU 12 3HD2 LEU 12 -4.168 -6.053 2.473 106 H LYS 13 H LYS 13 -8.354 -7.483 6.901 107 HA LYS 13 HA LYS 13 -9.491 -9.357 5.133 108 1HB LYS 13 1HB LYS 13 -8.368 -9.560 7.535 109 2HB LYS 13 2HB LYS 13 -10.030 -9.434 8.077 110 1HG LYS 13 1HG LYS 13 -10.580 -11.283 6.344 111 2HG LYS 13 2HG LYS 13 -8.850 -11.514 6.190 112 1HD LYS 13 1HD LYS 13 -8.724 -11.881 8.696 113 2HD LYS 13 2HD LYS 13 -10.472 -11.769 8.766 114 1HE LYS 13 1HE LYS 13 -10.394 -13.652 6.891 115 2HE LYS 13 2HE LYS 13 -8.766 -13.919 7.481 116 1HZ LYS 13 1HZ LYS 13 -9.892 -15.229 8.891 117 2HZ LYS 13 2HZ LYS 13 -10.050 -13.852 9.755 118 3HZ LYS 13 3HZ LYS 13 -11.281 -14.372 8.816 119 H ARG 14 H ARG 14 -10.751 -6.612 6.981 120 HA ARG 14 HA ARG 14 -13.428 -7.483 6.825 121 1HB ARG 14 1HB ARG 14 -12.503 -5.857 8.545 122 2HB ARG 14 2HB ARG 14 -12.341 -4.657 7.278 123 1HG ARG 14 1HG ARG 14 -14.617 -4.266 7.155 124 2HG ARG 14 2HG ARG 14 -15.034 -5.939 7.467 125 1HD ARG 14 1HD ARG 14 -14.461 -5.641 9.883 126 2HD ARG 14 2HD ARG 14 -14.015 -3.975 9.578 127 HE ARG 14 HE ARG 14 -16.290 -3.393 9.446 128 1HH1 ARG 14 2HH2 ARG 14 -15.951 -6.895 9.342 129 2HH1 ARG 14 1HH2 ARG 14 -17.649 -7.192 9.514 130 1HH2 ARG 14 2HH1 ARG 14 -18.530 -3.786 9.673 131 2HH2 ARG 14 1HH1 ARG 14 -19.125 -5.412 9.703 132 H ASN 15 H ASN 15 -11.171 -5.801 4.716 133 HA ASN 15 HA ASN 15 -13.274 -4.658 3.137 134 1HB ASN 15 1HB ASN 15 -10.654 -3.923 3.606 135 2HB ASN 15 2HB ASN 15 -10.471 -4.757 2.076 136 1HD2 ASN 15 1HD2 ASN 15 -12.500 -2.357 3.730 137 2HD2 ASN 15 2HD2 ASN 15 -12.784 -1.325 2.368 138 H GLY 16 H GLY 16 -10.809 -7.292 3.069 139 1HA GLY 16 1HA GLY 16 -11.445 -9.362 2.005 140 2HA GLY 16 2HA GLY 16 -12.184 -8.437 0.714 141 H MET 17 H MET 17 -8.991 -8.004 2.387 142 HA MET 17 HA MET 17 -7.766 -8.445 -0.226 143 1HB MET 17 1HB MET 17 -7.729 -6.031 0.443 144 2HB MET 17 2HB MET 17 -6.998 -6.452 1.979 145 1HG MET 17 1HG MET 17 -5.329 -5.623 0.273 146 2HG MET 17 2HG MET 17 -4.953 -7.220 0.890 147 1HE MET 17 1HE MET 17 -6.163 -5.120 -2.187 148 2HE MET 17 2HE MET 17 -6.945 -6.371 -3.182 149 3HE MET 17 3HE MET 17 -7.641 -5.923 -1.607 150 H ALA 18 H ALA 18 -7.525 -8.698 3.347 151 HA ALA 18 HA ALA 18 -5.014 -9.745 3.609 152 1HB ALA 18 1HB ALA 18 -6.848 -11.144 5.339 153 2HB ALA 18 2HB ALA 18 -5.739 -9.809 5.733 154 3HB ALA 18 3HB ALA 18 -7.386 -9.457 5.161 155 H GLY 19 H GLY 19 -4.084 -11.337 2.420 156 1HA GLY 19 1HA GLY 19 -3.738 -13.511 1.809 157 2HA GLY 19 2HA GLY 19 -5.343 -13.942 2.366 158 H TYR 20 H TYR 20 -4.669 -11.205 0.148 159 HA TYR 20 HA TYR 20 -6.635 -11.789 -1.647 160 1HB TYR 20 1HB TYR 20 -4.907 -9.795 -1.306 161 2HB TYR 20 2HB TYR 20 -3.844 -10.715 -2.351 162 HD1 TYR 20 1HD TYR 20 -3.830 -10.130 -4.590 163 HD2 TYR 20 2HD TYR 20 -7.421 -9.555 -2.339 164 HE1 TYR 20 1HE TYR 20 -4.951 -9.102 -6.627 165 HE2 TYR 20 2HE TYR 20 -8.530 -8.528 -4.382 166 HH TYR 20 HH TYR 20 -8.307 -7.939 -6.442 167 H TYR 21 H TYR 21 -5.975 -12.135 -4.176 168 HA TYR 21 HA TYR 21 -5.769 -14.728 -4.675 169 1HB TYR 21 1HB TYR 21 -5.102 -12.149 -5.981 170 2HB TYR 21 2HB TYR 21 -4.096 -13.435 -6.617 171 HD1 TYR 21 1HD TYR 21 -7.702 -12.728 -5.853 172 HD2 TYR 21 2HD TYR 21 -4.888 -14.690 -8.408 173 HE1 TYR 21 1HE TYR 21 -9.593 -13.460 -7.386 174 HE2 TYR 21 2HE TYR 21 -6.788 -15.416 -9.933 175 HH TYR 21 HH TYR 21 -9.089 -15.768 -9.895 176 H GLY 22 H GLY 22 -2.891 -12.534 -4.371 177 1HA GLY 22 1HA GLY 22 -1.256 -14.961 -3.930 178 2HA GLY 22 2HA GLY 22 -0.701 -13.574 -4.845 179 H VAL 23 H VAL 23 -1.184 -11.342 -3.506 180 HA VAL 23 HA VAL 23 0.628 -11.267 -1.468 181 HB VAL 23 HB VAL 23 -1.795 -9.480 -1.686 182 1HG1 VAL 23 1HG1 VAL 23 -0.564 -8.855 0.211 183 2HG1 VAL 23 2HG1 VAL 23 0.999 -9.167 -0.582 184 3HG1 VAL 23 3HG1 VAL 23 0.023 -7.757 -1.061 185 1HG2 VAL 23 1HG2 VAL 23 0.067 -8.192 -3.171 186 2HG2 VAL 23 2HG2 VAL 23 0.465 -9.880 -3.570 187 3HG2 VAL 23 3HG2 VAL 23 -1.179 -9.261 -3.857 188 H SER 24 H SER 24 0.688 -12.089 0.555 189 HA SER 24 HA SER 24 -1.786 -13.105 1.617 190 1HB SER 24 1HB SER 24 0.360 -14.450 1.606 191 2HB SER 24 2HB SER 24 1.040 -13.308 2.749 192 HG SER 24 HG SER 24 0.052 -15.299 3.688 193 H LEU 25 H LEU 25 -2.614 -12.512 3.735 194 HA LEU 25 HA LEU 25 -2.683 -9.861 4.303 195 1HB LEU 25 1HB LEU 25 -4.311 -11.252 5.226 196 2HB LEU 25 2HB LEU 25 -3.132 -12.317 5.969 197 HG LEU 25 HG LEU 25 -2.563 -10.598 7.614 198 1HD1 LEU 25 1HD1 LEU 25 -3.659 -8.814 5.755 199 2HD1 LEU 25 2HD1 LEU 25 -4.757 -8.768 7.156 200 3HD1 LEU 25 3HD1 LEU 25 -3.022 -8.439 7.375 201 1HD2 LEU 25 1HD2 LEU 25 -4.171 -11.413 8.906 202 2HD2 LEU 25 2HD2 LEU 25 -5.402 -10.431 8.077 203 3HD2 LEU 25 3HD2 LEU 25 -4.975 -12.040 7.447 204 H ALA 26 H ALA 26 -0.408 -12.338 5.626 205 HA ALA 26 HA ALA 26 0.885 -10.637 7.411 206 1HB ALA 26 1HB ALA 26 2.385 -12.404 7.667 207 2HB ALA 26 2HB ALA 26 0.950 -13.243 7.028 208 3HB ALA 26 3HB ALA 26 2.310 -12.855 5.946 209 H ASP 27 H ASP 27 1.355 -11.287 3.904 210 HA ASP 27 HA ASP 27 3.749 -9.907 3.690 211 1HB ASP 27 1HB ASP 27 1.537 -10.293 1.618 212 2HB ASP 27 2HB ASP 27 3.177 -9.802 1.247 213 H TRP 28 H TRP 28 0.278 -8.968 3.510 214 HA TRP 28 HA TRP 28 0.647 -6.387 2.485 215 1HB TRP 28 1HB TRP 28 -1.536 -7.761 4.023 216 2HB TRP 28 2HB TRP 28 -1.626 -6.042 3.695 217 HD1 TRP 28 HD TRP 28 -2.913 -9.064 2.240 218 HE1 TRP 28 1HE TRP 28 -3.463 -8.929 -0.337 219 HE3 TRP 28 3HE TRP 28 -0.223 -4.841 1.353 220 HZ2 TRP 28 2HZ TRP 28 -2.729 -7.111 -2.411 221 HZ3 TRP 28 3HZ TRP 28 -0.192 -3.952 -0.976 222 HH2 TRP 28 HH TRP 28 -1.387 -5.016 -2.824 223 H VAL 29 H VAL 29 0.082 -7.565 5.887 224 HA VAL 29 HA VAL 29 0.439 -5.151 7.146 225 HB VAL 29 HB VAL 29 0.986 -7.996 7.983 226 1HG1 VAL 29 1HG1 VAL 29 1.148 -7.254 10.288 227 2HG1 VAL 29 2HG1 VAL 29 2.400 -6.444 9.315 228 3HG1 VAL 29 3HG1 VAL 29 0.932 -5.558 9.793 229 1HG2 VAL 29 1HG2 VAL 29 -1.232 -8.072 8.195 230 2HG2 VAL 29 2HG2 VAL 29 -1.132 -6.800 9.437 231 3HG2 VAL 29 3HG2 VAL 29 -1.370 -6.360 7.729 232 H CYS 30 H CYS 30 2.948 -7.761 6.763 233 HA CYS 30 HA CYS 30 5.061 -6.362 7.726 234 1HB CYS 30 1HB CYS 30 6.403 -7.989 6.855 235 2HB CYS 30 2HB CYS 30 4.850 -8.802 6.864 236 H LEU 31 H LEU 31 3.672 -6.395 4.382 237 HA LEU 31 HA LEU 31 5.572 -4.797 3.168 238 1HB LEU 31 1HB LEU 31 4.042 -5.989 1.844 239 2HB LEU 31 2HB LEU 31 2.653 -5.299 2.661 240 HG LEU 31 HG LEU 31 3.238 -3.072 1.673 241 1HD1 LEU 31 1HD1 LEU 31 5.126 -4.582 -0.139 242 2HD1 LEU 31 2HD1 LEU 31 4.864 -2.825 -0.019 243 3HD1 LEU 31 3HD1 LEU 31 5.673 -3.697 1.305 244 1HD2 LEU 31 1HD2 LEU 31 2.893 -5.018 -0.583 245 2HD2 LEU 31 2HD2 LEU 31 1.653 -4.903 0.689 246 3HD2 LEU 31 3HD2 LEU 31 2.075 -3.468 -0.276 247 H ALA 32 H ALA 32 2.439 -3.834 4.735 248 HA ALA 32 HA ALA 32 2.922 -1.079 4.410 249 1HB ALA 32 1HB ALA 32 0.707 -2.283 4.793 250 2HB ALA 32 2HB ALA 32 1.175 -2.419 6.504 251 3HB ALA 32 3HB ALA 32 0.964 -0.814 5.764 252 H GLN 33 H GLN 33 4.218 -3.496 6.550 253 HA GLN 33 HA GLN 33 4.715 -1.761 8.715 254 1HB GLN 33 1HB GLN 33 4.601 -4.357 8.684 255 2HB GLN 33 2HB GLN 33 6.249 -4.309 8.090 256 1HG GLN 33 1HG GLN 33 6.492 -4.488 10.450 257 2HG GLN 33 2HG GLN 33 6.786 -2.792 10.121 258 1HE2 GLN 33 1HE2 GLN 33 6.250 -2.419 12.322 259 2HE2 GLN 33 2HE2 GLN 33 4.603 -2.297 12.843 260 H HIS 34 H HIS 34 6.845 -3.212 6.143 261 HA HIS 34 HA HIS 34 9.071 -1.670 6.892 262 1HB HIS 34 1HB HIS 34 8.882 -3.882 5.526 263 2HB HIS 34 2HB HIS 34 8.658 -2.829 4.143 264 HD1 HIS 34 1HD HIS 34 10.718 -0.609 4.733 265 HD2 HIS 34 2HD HIS 34 11.479 -4.702 5.249 266 HE1 HIS 34 1HE HIS 34 13.253 -0.885 4.621 267 HE2 HIS 34 2HE HIS 34 13.663 -3.411 4.998 268 H GLU 35 H GLU 35 6.153 -0.957 5.149 269 HA GLU 35 HA GLU 35 7.306 1.107 3.572 270 1HB GLU 35 1HB GLU 35 4.491 0.147 4.137 271 2HB GLU 35 2HB GLU 35 4.738 1.674 3.315 272 1HG GLU 35 1HG GLU 35 5.908 -1.000 2.410 273 2HG GLU 35 2HG GLU 35 4.478 -0.254 1.726 274 H SER 36 H SER 36 4.780 1.170 6.199 275 HA SER 36 HA SER 36 6.175 3.279 7.494 276 1HB SER 36 1HB SER 36 4.383 4.059 5.490 277 2HB SER 36 2HB SER 36 3.422 4.191 6.948 278 HG SER 36 HG SER 36 4.420 6.062 7.226 279 H ASN 37 H ASN 37 2.695 2.242 7.178 280 HA ASN 37 HA ASN 37 1.337 1.265 8.562 281 1HB ASN 37 1HB ASN 37 3.540 -0.190 9.029 282 2HB ASN 37 2HB ASN 37 3.512 0.625 10.580 283 1HD2 ASN 37 1HD2 ASN 37 1.286 -0.984 8.311 284 2HD2 ASN 37 2HD2 ASN 37 0.374 -1.870 9.487 285 H TYR 38 H TYR 38 0.597 1.387 11.077 286 HA TYR 38 HA TYR 38 0.158 2.596 12.890 287 1HB TYR 38 1HB TYR 38 2.464 4.464 12.138 288 2HB TYR 38 2HB TYR 38 1.937 4.020 13.750 289 HD1 TYR 38 1HD TYR 38 4.450 3.542 11.381 290 HD2 TYR 38 2HD TYR 38 2.122 1.359 14.230 291 HE1 TYR 38 1HE TYR 38 6.243 1.743 11.478 292 HE2 TYR 38 2HE TYR 38 3.923 -0.434 14.318 293 HH TYR 38 HH TYR 38 5.995 -0.927 13.775 294 H ASN 39 H ASN 39 1.495 4.876 10.385 295 HA ASN 39 HA ASN 39 -1.095 6.196 10.485 296 1HB ASN 39 1HB ASN 39 0.431 7.624 11.772 297 2HB ASN 39 2HB ASN 39 1.673 7.497 10.543 298 1HD2 ASN 39 1HD2 ASN 39 -0.682 9.409 11.780 299 2HD2 ASN 39 2HD2 ASN 39 -1.025 10.446 10.435 300 H THR 40 H THR 40 -1.660 7.251 8.404 301 HA THR 40 HA THR 40 0.002 6.281 6.172 302 HB THR 40 HB THR 40 -2.042 5.932 4.972 303 HG1 THR 40 1HG THR 40 -3.899 7.124 5.601 304 1HG2 THR 40 1HG2 THR 40 -3.673 5.260 7.164 305 2HG2 THR 40 2HG2 THR 40 -2.546 4.158 6.337 306 3HG2 THR 40 3HG2 THR 40 -2.021 5.042 7.790 307 H ARG 41 H ARG 41 1.293 8.309 6.795 308 HA ARG 41 HA ARG 41 -0.005 10.586 5.529 309 1HB ARG 41 1HB ARG 41 0.707 10.880 7.942 310 2HB ARG 41 2HB ARG 41 2.366 10.579 7.464 311 1HG ARG 41 1HG ARG 41 2.439 12.576 6.096 312 2HG ARG 41 2HG ARG 41 0.702 12.787 6.185 313 1HD ARG 41 1HD ARG 41 2.417 12.825 8.700 314 2HD ARG 41 2HD ARG 41 2.199 14.270 7.733 315 HE ARG 41 HE ARG 41 -0.393 13.386 8.088 316 1HH1 ARG 41 2HH2 ARG 41 2.259 14.047 10.303 317 2HH1 ARG 41 1HH2 ARG 41 1.221 14.490 11.618 318 1HH2 ARG 41 2HH1 ARG 41 -1.764 13.969 9.821 319 2HH2 ARG 41 1HH1 ARG 41 -1.083 14.444 11.341 320 H ALA 42 H ALA 42 2.111 8.082 4.933 321 HA ALA 42 HA ALA 42 4.440 8.996 3.979 322 1HB ALA 42 1HB ALA 42 3.870 7.237 2.036 323 2HB ALA 42 2HB ALA 42 4.177 6.723 3.712 324 3HB ALA 42 3HB ALA 42 2.506 6.875 3.119 325 H THR 43 H THR 43 4.716 10.978 3.024 326 HA THR 43 HA THR 43 3.522 11.304 0.393 327 HB THR 43 HB THR 43 2.884 13.717 1.130 328 HG1 THR 43 1HG THR 43 3.713 13.925 3.197 329 1HG2 THR 43 1HG2 THR 43 0.782 12.965 2.336 330 2HG2 THR 43 2HG2 THR 43 1.066 12.078 0.819 331 3HG2 THR 43 3HG2 THR 43 1.450 11.316 2.381 332 H ASN 44 H ASN 44 5.181 11.626 -0.937 333 HA ASN 44 HA ASN 44 7.149 13.559 -0.102 334 1HB ASN 44 1HB ASN 44 7.644 10.695 -0.174 335 2HB ASN 44 2HB ASN 44 8.581 11.446 -1.450 336 1HD2 ASN 44 1HD2 ASN 44 10.550 11.885 -0.855 337 2HD2 ASN 44 2HD2 ASN 44 11.084 12.468 0.686 338 H TYR 45 H TYR 45 6.515 14.974 -1.808 339 HA TYR 45 HA TYR 45 6.131 13.883 -4.463 340 1HB TYR 45 1HB TYR 45 5.405 16.225 -4.875 341 2HB TYR 45 2HB TYR 45 4.717 15.707 -3.349 342 HD1 TYR 45 1HD TYR 45 5.236 16.832 -1.314 343 HD2 TYR 45 2HD TYR 45 7.467 17.703 -4.860 344 HE1 TYR 45 1HE TYR 45 6.299 18.834 -0.162 345 HE2 TYR 45 2HE TYR 45 8.522 19.703 -3.696 346 HH TYR 45 HH TYR 45 7.452 20.693 -0.491 347 H ASN 46 H ASN 46 7.280 14.729 -6.357 348 HA ASN 46 HA ASN 46 9.654 16.213 -5.894 349 1HB ASN 46 1HB ASN 46 9.777 13.249 -6.626 350 2HB ASN 46 2HB ASN 46 11.087 14.343 -7.026 351 1HD2 ASN 46 1HD2 ASN 46 9.913 12.228 -4.788 352 2HD2 ASN 46 2HD2 ASN 46 10.793 12.712 -3.376 353 H ARG 47 H ARG 47 9.213 17.638 -7.607 354 HA ARG 47 HA ARG 47 7.906 16.730 -9.925 355 1HB ARG 47 1HB ARG 47 8.114 19.155 -8.747 356 2HB ARG 47 2HB ARG 47 9.429 19.338 -9.892 357 1HG ARG 47 1HG ARG 47 7.864 19.920 -11.432 358 2HG ARG 47 2HG ARG 47 7.384 18.235 -11.460 359 1HD ARG 47 1HD ARG 47 5.633 18.594 -9.837 360 2HD ARG 47 2HD ARG 47 6.262 20.166 -9.388 361 HE ARG 47 HE ARG 47 5.554 19.991 -12.223 362 1HH1 ARG 47 2HH2 ARG 47 4.328 20.638 -8.989 363 2HH1 ARG 47 1HH2 ARG 47 2.988 21.584 -9.547 364 1HH2 ARG 47 2HH1 ARG 47 3.787 21.240 -12.960 365 2HH2 ARG 47 1HH1 ARG 47 2.680 21.929 -11.821 366 H GLY 48 H GLY 48 11.275 17.238 -8.906 367 1HA GLY 48 1HA GLY 48 12.756 17.610 -11.082 368 2HA GLY 48 2HA GLY 48 13.167 16.415 -9.868 369 H ASP 49 H ASP 49 10.870 14.629 -10.352 370 HA ASP 49 HA ASP 49 11.504 13.776 -13.064 371 1HB ASP 49 1HB ASP 49 12.412 12.474 -10.825 372 2HB ASP 49 2HB ASP 49 10.862 11.681 -11.023 373 H GLN 50 H GLN 50 9.238 15.371 -12.024 374 HA GLN 50 HA GLN 50 7.051 15.333 -11.675 375 1HB GLN 50 1HB GLN 50 7.453 15.337 -14.179 376 2HB GLN 50 2HB GLN 50 7.145 13.612 -14.190 377 1HG GLN 50 1HG GLN 50 5.098 14.881 -14.785 378 2HG GLN 50 2HG GLN 50 4.863 13.971 -13.306 379 1HE2 GLN 50 1HE2 GLN 50 4.402 14.976 -11.450 380 2HE2 GLN 50 2HE2 GLN 50 4.255 16.689 -11.238 381 H SER 51 H SER 51 7.847 13.619 -9.804 382 HA SER 51 HA SER 51 5.826 11.567 -9.963 383 1HB SER 51 1HB SER 51 7.329 9.789 -9.222 384 2HB SER 51 2HB SER 51 7.936 10.473 -10.716 385 HG SER 51 HG SER 51 8.902 10.950 -8.034 386 H THR 52 H THR 52 5.240 10.723 -7.776 387 HA THR 52 HA THR 52 6.386 12.160 -5.524 388 HB THR 52 HB THR 52 3.504 12.443 -6.502 389 HG1 THR 52 1HG THR 52 5.151 13.967 -7.242 390 1HG2 THR 52 1HG2 THR 52 3.762 14.055 -4.268 391 2HG2 THR 52 2HG2 THR 52 2.946 12.473 -4.261 392 3HG2 THR 52 3HG2 THR 52 4.647 12.600 -3.749 393 H ASP 53 H ASP 53 6.554 10.895 -3.764 394 HA ASP 53 HA ASP 53 5.366 8.278 -4.027 395 1HB ASP 53 1HB ASP 53 7.381 9.403 -2.024 396 2HB ASP 53 2HB ASP 53 6.859 7.731 -2.068 397 H TYR 54 H TYR 54 3.160 8.631 -3.368 398 HA TYR 54 HA TYR 54 2.855 9.587 -0.601 399 1HB TYR 54 1HB TYR 54 1.452 10.076 -3.246 400 2HB TYR 54 2HB TYR 54 0.412 9.967 -1.839 401 HD1 TYR 54 1HD TYR 54 -0.320 12.116 -1.334 402 HD2 TYR 54 2HD TYR 54 3.808 11.507 -2.276 403 HE1 TYR 54 1HE TYR 54 0.170 14.551 -0.790 404 HE2 TYR 54 2HE TYR 54 4.284 13.944 -1.729 405 HH TYR 54 HH TYR 54 1.749 16.027 -0.420 406 H GLY 55 H GLY 55 1.049 8.620 0.609 407 1HA GLY 55 1HA GLY 55 -0.629 6.991 0.838 408 2HA GLY 55 2HA GLY 55 0.043 6.096 -0.512 409 H ILE 56 H ILE 56 -0.565 5.333 2.392 410 HA ILE 56 HA ILE 56 1.718 5.054 3.885 411 HB ILE 56 HB ILE 56 -0.653 4.587 4.534 412 1HG1 ILE 56 1HG1 ILE 56 1.262 2.358 5.267 413 2HG1 ILE 56 2HG1 ILE 56 1.418 3.994 5.876 414 1HG2 ILE 56 1HG2 ILE 56 -1.649 3.189 3.036 415 2HG2 ILE 56 2HG2 ILE 56 -0.172 2.232 2.766 416 3HG2 ILE 56 3HG2 ILE 56 -1.132 1.990 4.246 417 1HD1 ILE 56 1HD1 ILE 56 -1.258 2.605 6.108 418 2HD1 ILE 56 2HD1 ILE 56 0.044 2.196 7.251 419 3HD1 ILE 56 3HD1 ILE 56 -0.552 3.869 7.143 420 H PHE 57 H PHE 57 0.659 3.310 0.976 421 HA PHE 57 HA PHE 57 2.752 1.340 1.314 422 1HB PHE 57 1HB PHE 57 0.473 1.969 -0.620 423 2HB PHE 57 2HB PHE 57 1.706 0.826 -1.113 424 HD1 PHE 57 1HD PHE 57 -1.460 0.923 0.043 425 HD2 PHE 57 2HD PHE 57 2.254 -0.850 1.077 426 HE1 PHE 57 1HE PHE 57 -2.673 -0.909 1.257 427 HE2 PHE 57 2HE PHE 57 1.041 -2.682 2.292 428 HZ PHE 57 HZ PHE 57 -1.408 -2.689 2.366 429 H GLN 58 H GLN 58 3.254 4.358 0.871 430 HA GLN 58 HA GLN 58 4.378 5.699 -0.468 431 1HB GLN 58 1HB GLN 58 6.051 4.111 0.751 432 2HB GLN 58 2HB GLN 58 6.302 3.374 -0.819 433 1HG GLN 58 1HG GLN 58 7.986 5.029 -0.747 434 2HG GLN 58 2HG GLN 58 6.725 5.803 -1.687 435 1HE2 GLN 58 1HE2 GLN 58 5.434 7.404 -0.776 436 2HE2 GLN 58 2HE2 GLN 58 5.885 8.275 0.652 437 H ILE 59 H ILE 59 2.530 5.407 -2.132 438 HA ILE 59 HA ILE 59 3.389 3.908 -4.474 439 HB ILE 59 HB ILE 59 0.808 5.296 -3.753 440 1HG1 ILE 59 1HG1 ILE 59 1.497 2.354 -4.019 441 2HG1 ILE 59 2HG1 ILE 59 1.293 3.217 -2.508 442 1HG2 ILE 59 1HG2 ILE 59 -0.052 4.923 -5.815 443 2HG2 ILE 59 2HG2 ILE 59 1.654 5.108 -6.289 444 3HG2 ILE 59 3HG2 ILE 59 0.952 3.482 -6.102 445 1HD1 ILE 59 1HD1 ILE 59 -0.922 3.349 -4.558 446 2HD1 ILE 59 2HD1 ILE 59 -0.741 1.885 -3.562 447 3HD1 ILE 59 3HD1 ILE 59 -1.021 3.461 -2.785 448 H ASN 60 H ASN 60 4.047 4.844 -6.391 449 HA ASN 60 HA ASN 60 4.857 7.557 -6.163 450 1HB ASN 60 1HB ASN 60 5.479 5.240 -7.831 451 2HB ASN 60 2HB ASN 60 5.180 6.628 -8.860 452 1HD2 ASN 60 1HD2 ASN 60 7.379 5.023 -6.900 453 2HD2 ASN 60 2HD2 ASN 60 8.616 6.229 -6.771 454 H SER 61 H SER 61 3.810 9.349 -7.117 455 HA SER 61 HA SER 61 1.242 8.833 -8.249 456 1HB SER 61 1HB SER 61 1.846 10.722 -6.602 457 2HB SER 61 2HB SER 61 2.628 11.527 -7.947 458 HG SER 61 HG SER 61 0.689 11.878 -8.946 459 H ARG 62 H ARG 62 4.180 8.463 -9.546 460 HA ARG 62 HA ARG 62 3.767 10.070 -11.893 461 1HB ARG 62 1HB ARG 62 5.997 9.183 -12.588 462 2HB ARG 62 2HB ARG 62 6.059 9.876 -10.979 463 1HG ARG 62 1HG ARG 62 6.357 7.819 -9.941 464 2HG ARG 62 2HG ARG 62 5.398 6.955 -11.126 465 1HD ARG 62 1HD ARG 62 8.051 8.161 -11.966 466 2HD ARG 62 2HD ARG 62 8.040 6.654 -11.073 467 HE ARG 62 HE ARG 62 6.179 6.183 -13.055 468 1HH1 ARG 62 2HH2 ARG 62 9.500 7.345 -13.099 469 2HH1 ARG 62 1HH2 ARG 62 9.842 6.693 -14.668 470 1HH2 ARG 62 2HH1 ARG 62 6.629 5.324 -15.123 471 2HH2 ARG 62 1HH1 ARG 62 8.197 5.535 -15.827 472 H TYR 63 H TYR 63 2.215 7.471 -10.885 473 HA TYR 63 HA TYR 63 1.967 6.363 -13.550 474 1HB TYR 63 1HB TYR 63 3.445 5.184 -11.289 475 2HB TYR 63 2HB TYR 63 2.056 4.180 -11.651 476 HD1 TYR 63 1HD TYR 63 5.396 4.352 -12.211 477 HD2 TYR 63 2HD TYR 63 1.770 4.054 -14.462 478 HE1 TYR 63 1HE TYR 63 6.667 3.273 -14.130 479 HE2 TYR 63 2HE TYR 63 3.054 2.976 -16.374 480 HH TYR 63 HH TYR 63 6.570 2.676 -16.240 481 H TRP 64 H TRP 64 1.046 6.102 -10.050 482 HA TRP 64 HA TRP 64 -1.727 5.758 -10.973 483 1HB TRP 64 1HB TRP 64 -0.651 4.712 -8.362 484 2HB TRP 64 2HB TRP 64 -2.174 4.340 -9.145 485 HD1 TRP 64 HD TRP 64 1.524 3.346 -9.226 486 HE1 TRP 64 1HE TRP 64 1.920 1.196 -10.703 487 HE3 TRP 64 3HE TRP 64 -3.172 3.176 -11.170 488 HZ2 TRP 64 2HZ TRP 64 0.262 -0.302 -12.479 489 HZ3 TRP 64 3HZ TRP 64 -3.701 1.337 -12.768 490 HH2 TRP 64 HH TRP 64 -2.074 -0.364 -13.427 491 H CYS 65 H CYS 65 -3.350 6.809 -9.556 492 HA CYS 65 HA CYS 65 -4.142 8.509 -8.419 493 1HB CYS 65 1HB CYS 65 -3.433 8.746 -6.317 494 2HB CYS 65 2HB CYS 65 -2.364 7.415 -6.716 495 H ASN 66 H ASN 66 -4.372 10.683 -8.983 496 HA ASN 66 HA ASN 66 -2.070 12.244 -9.541 497 1HB ASN 66 1HB ASN 66 -2.831 10.798 -11.705 498 2HB ASN 66 2HB ASN 66 -3.998 12.095 -11.866 499 1HD2 ASN 66 1HD2 ASN 66 -2.769 12.385 -13.884 500 2HD2 ASN 66 2HD2 ASN 66 -1.379 13.419 -13.885 501 H ASP 67 H ASP 67 -3.382 14.306 -11.058 502 HA ASP 67 HA ASP 67 -5.590 14.948 -9.265 503 1HB ASP 67 1HB ASP 67 -3.987 16.572 -8.743 504 2HB ASP 67 2HB ASP 67 -3.294 16.558 -10.352 505 H GLY 68 H GLY 68 -4.095 15.633 -12.520 506 1HA GLY 68 1HA GLY 68 -5.430 15.088 -14.477 507 2HA GLY 68 2HA GLY 68 -6.825 15.758 -13.654 508 H LYS 69 H LYS 69 -4.305 17.699 -12.655 509 HA LYS 69 HA LYS 69 -4.930 19.646 -14.744 510 1HB LYS 69 1HB LYS 69 -5.325 20.068 -12.233 511 2HB LYS 69 2HB LYS 69 -3.585 20.211 -12.099 512 1HG LYS 69 1HG LYS 69 -3.764 21.905 -14.088 513 2HG LYS 69 2HG LYS 69 -5.482 21.932 -13.741 514 1HD LYS 69 1HD LYS 69 -4.065 22.208 -11.237 515 2HD LYS 69 2HD LYS 69 -3.366 23.339 -12.380 516 1HE LYS 69 1HE LYS 69 -5.116 24.691 -11.777 517 2HE LYS 69 2HE LYS 69 -6.040 23.715 -12.902 518 1HZ LYS 69 1HZ LYS 69 -6.784 23.984 -10.454 519 2HZ LYS 69 2HZ LYS 69 -6.988 22.555 -11.218 520 3HZ LYS 69 3HZ LYS 69 -5.745 22.754 -10.179 521 H THR 70 H THR 70 -2.611 17.323 -13.935 522 HA THR 70 HA THR 70 -0.467 18.907 -15.188 523 HB THR 70 HB THR 70 -0.214 17.954 -12.788 524 HG1 THR 70 1HG THR 70 1.475 17.035 -15.010 525 1HG2 THR 70 1HG2 THR 70 0.148 15.639 -12.494 526 2HG2 THR 70 2HG2 THR 70 -1.200 15.624 -13.656 527 3HG2 THR 70 3HG2 THR 70 0.468 15.373 -14.224 528 HA PRO 71 HA PRO 71 -1.373 16.205 -18.523 529 1HB PRO 71 1HB PRO 71 -0.287 17.775 -20.479 530 2HB PRO 71 2HB PRO 71 -1.955 17.909 -19.958 531 1HG PRO 71 1HG PRO 71 0.323 19.697 -19.363 532 2HG PRO 71 2HG PRO 71 -1.393 20.022 -19.222 533 1HD PRO 71 1HD PRO 71 0.424 19.445 -17.081 534 2HD PRO 71 2HD PRO 71 -1.310 19.655 -16.955 535 H ARG 72 H ARG 72 0.435 15.238 -16.890 536 HA ARG 72 HA ARG 72 2.509 14.577 -18.794 537 1HB ARG 72 1HB ARG 72 2.967 16.275 -16.580 538 2HB ARG 72 2HB ARG 72 3.556 14.715 -16.042 539 1HG ARG 72 1HG ARG 72 5.404 14.901 -17.343 540 2HG ARG 72 2HG ARG 72 4.423 15.131 -18.776 541 1HD ARG 72 1HD ARG 72 4.134 17.592 -18.011 542 2HD ARG 72 2HD ARG 72 5.399 17.275 -16.840 543 HE ARG 72 HE ARG 72 6.289 16.391 -19.421 544 1HH1 ARG 72 2HH2 ARG 72 5.623 19.357 -17.650 545 2HH1 ARG 72 1HH2 ARG 72 6.754 20.304 -18.558 546 1HH2 ARG 72 2HH1 ARG 72 7.781 17.639 -20.619 547 2HH2 ARG 72 1HH1 ARG 72 7.989 19.320 -20.259 548 H ALA 73 H ALA 73 1.718 13.957 -15.287 549 HA ALA 73 HA ALA 73 2.434 11.293 -15.296 550 1HB ALA 73 1HB ALA 73 0.209 11.812 -13.510 551 2HB ALA 73 2HB ALA 73 1.929 11.566 -13.124 552 3HB ALA 73 3HB ALA 73 1.329 13.195 -13.516 553 H VAL 74 H VAL 74 0.376 9.681 -14.476 554 HA VAL 74 HA VAL 74 -1.787 9.907 -16.377 555 HB VAL 74 HB VAL 74 -0.798 7.257 -16.648 556 1HG1 VAL 74 1HG1 VAL 74 -1.561 9.557 -18.331 557 2HG1 VAL 74 2HG1 VAL 74 -0.391 8.446 -19.083 558 3HG1 VAL 74 3HG1 VAL 74 -1.954 7.829 -18.497 559 1HG2 VAL 74 1HG2 VAL 74 1.382 7.513 -17.574 560 2HG2 VAL 74 2HG2 VAL 74 1.287 9.288 -17.491 561 3HG2 VAL 74 3HG2 VAL 74 1.403 8.332 -15.994 562 H ASN 75 H ASN 75 -3.282 9.960 -14.710 563 HA ASN 75 HA ASN 75 -3.035 8.378 -12.436 564 1HB ASN 75 1HB ASN 75 -4.560 10.506 -13.034 565 2HB ASN 75 2HB ASN 75 -5.739 9.285 -13.472 566 1HD2 ASN 75 1HD2 ASN 75 -4.430 7.430 -11.465 567 2HD2 ASN 75 2HD2 ASN 75 -5.073 7.891 -9.924 568 H ALA 76 H ALA 76 -2.501 6.360 -13.971 569 HA ALA 76 HA ALA 76 -4.463 5.119 -15.467 570 1HB ALA 76 1HB ALA 76 -3.074 3.021 -14.832 571 2HB ALA 76 2HB ALA 76 -2.243 4.346 -15.682 572 3HB ALA 76 3HB ALA 76 -2.044 4.152 -13.924 573 H CYS 77 H CYS 77 -4.271 5.664 -12.044 574 HA CYS 77 HA CYS 77 -5.944 3.399 -11.416 575 1HB CYS 77 1HB CYS 77 -4.028 4.550 -9.989 576 2HB CYS 77 2HB CYS 77 -5.348 5.570 -9.452 577 H GLY 78 H GLY 78 -6.094 6.884 -12.097 578 1HA GLY 78 1HA GLY 78 -7.845 8.244 -12.484 579 2HA GLY 78 2HA GLY 78 -8.888 6.836 -12.523 580 H ILE 79 H ILE 79 -6.841 8.402 -9.948 581 HA ILE 79 HA ILE 79 -9.219 9.042 -8.453 582 HB ILE 79 HB ILE 79 -9.052 7.588 -6.746 583 1HG1 ILE 79 1HG1 ILE 79 -6.579 8.376 -6.408 584 2HG1 ILE 79 2HG1 ILE 79 -7.148 6.893 -5.668 585 1HG2 ILE 79 1HG2 ILE 79 -7.785 6.071 -9.039 586 2HG2 ILE 79 2HG2 ILE 79 -8.393 5.308 -7.550 587 3HG2 ILE 79 3HG2 ILE 79 -9.512 6.183 -8.623 588 1HD1 ILE 79 1HD1 ILE 79 -5.005 6.432 -6.717 589 2HD1 ILE 79 2HD1 ILE 79 -6.264 5.617 -7.677 590 3HD1 ILE 79 3HD1 ILE 79 -5.551 7.143 -8.255 591 H ASN 80 H ASN 80 -8.797 10.595 -6.772 592 HA ASN 80 HA ASN 80 -6.569 12.200 -7.406 593 1HB ASN 80 1HB ASN 80 -9.023 12.386 -5.795 594 2HB ASN 80 2HB ASN 80 -7.667 13.082 -4.930 595 1HD2 ASN 80 1HD2 ASN 80 -9.284 14.917 -5.370 596 2HD2 ASN 80 2HD2 ASN 80 -8.969 15.907 -6.755 597 H CYS 81 H CYS 81 -4.527 12.098 -6.443 598 HA CYS 81 HA CYS 81 -3.710 10.101 -4.835 599 1HB CYS 81 1HB CYS 81 -2.634 12.926 -4.938 600 2HB CYS 81 2HB CYS 81 -1.802 11.571 -4.203 601 H SER 82 H SER 82 -5.533 13.018 -4.010 602 HA SER 82 HA SER 82 -4.937 13.252 -1.355 603 1HB SER 82 1HB SER 82 -6.412 14.736 -2.877 604 2HB SER 82 2HB SER 82 -7.727 13.638 -2.506 605 HG SER 82 HG SER 82 -6.840 14.141 -0.129 606 H ALA 83 H ALA 83 -7.191 11.033 -3.063 607 HA ALA 83 HA ALA 83 -8.552 10.060 -0.847 608 1HB ALA 83 1HB ALA 83 -8.188 9.430 -3.664 609 2HB ALA 83 2HB ALA 83 -8.269 7.944 -2.689 610 3HB ALA 83 3HB ALA 83 -9.592 9.132 -2.611 611 H LEU 84 H LEU 84 -5.223 9.740 -1.803 612 HA LEU 84 HA LEU 84 -4.917 7.361 -0.130 613 1HB LEU 84 1HB LEU 84 -2.928 8.678 -1.982 614 2HB LEU 84 2HB LEU 84 -2.728 7.153 -1.141 615 HG LEU 84 HG LEU 84 -5.138 7.176 -2.790 616 1HD1 LEU 84 1HD1 LEU 84 -3.247 6.882 -4.807 617 2HD1 LEU 84 2HD1 LEU 84 -4.383 8.236 -4.594 618 3HD1 LEU 84 3HD1 LEU 84 -2.733 8.346 -3.934 619 1HD2 LEU 84 1HD2 LEU 84 -2.888 5.398 -2.102 620 2HD2 LEU 84 2HD2 LEU 84 -4.617 5.042 -2.323 621 3HD2 LEU 84 3HD2 LEU 84 -3.550 5.181 -3.741 622 H LEU 85 H LEU 85 -5.388 10.406 0.568 623 HA LEU 85 HA LEU 85 -3.214 10.458 2.534 624 1HB LEU 85 1HB LEU 85 -3.408 12.186 0.386 625 2HB LEU 85 2HB LEU 85 -4.159 13.088 1.687 626 HG LEU 85 HG LEU 85 -1.438 11.805 1.980 627 1HD1 LEU 85 1HD1 LEU 85 -0.896 13.206 0.261 628 2HD1 LEU 85 2HD1 LEU 85 -2.202 14.357 0.630 629 3HD1 LEU 85 3HD1 LEU 85 -0.731 14.331 1.631 630 1HD2 LEU 85 1HD2 LEU 85 -1.456 14.006 3.570 631 2HD2 LEU 85 2HD2 LEU 85 -3.168 13.523 3.645 632 3HD2 LEU 85 3HD2 LEU 85 -1.894 12.367 4.107 633 H GLN 86 H GLN 86 -6.087 9.462 2.471 634 HA GLN 86 HA GLN 86 -7.048 11.242 4.576 635 1HB GLN 86 1HB GLN 86 -9.337 10.709 3.926 636 2HB GLN 86 2HB GLN 86 -8.469 11.294 2.520 637 1HG GLN 86 1HG GLN 86 -8.095 8.969 1.741 638 2HG GLN 86 2HG GLN 86 -8.868 8.338 3.182 639 1HE2 GLN 86 1HE2 GLN 86 -9.920 7.430 1.019 640 2HE2 GLN 86 2HE2 GLN 86 -11.422 8.174 0.585 641 H ASP 87 H ASP 87 -9.126 9.580 5.564 642 HA ASP 87 HA ASP 87 -7.551 7.780 7.067 643 1HB ASP 87 1HB ASP 87 -9.324 8.793 8.267 644 2HB ASP 87 2HB ASP 87 -10.471 8.566 6.961 645 H ASP 88 H ASP 88 -10.557 7.397 5.023 646 HA ASP 88 HA ASP 88 -10.598 4.692 4.956 647 1HB ASP 88 1HB ASP 88 -11.262 6.413 2.535 648 2HB ASP 88 2HB ASP 88 -12.016 4.903 3.005 649 H ILE 89 H ILE 89 -8.945 3.307 4.295 650 HA ILE 89 HA ILE 89 -7.022 4.264 2.357 651 HB ILE 89 HB ILE 89 -5.907 2.083 2.895 652 1HG1 ILE 89 1HG1 ILE 89 -7.902 1.875 5.157 653 2HG1 ILE 89 2HG1 ILE 89 -8.107 1.007 3.648 654 1HG2 ILE 89 1HG2 ILE 89 -5.646 4.422 4.059 655 2HG2 ILE 89 2HG2 ILE 89 -6.363 3.576 5.451 656 3HG2 ILE 89 3HG2 ILE 89 -4.851 2.976 4.728 657 1HD1 ILE 89 1HD1 ILE 89 -5.927 -0.109 3.940 658 2HD1 ILE 89 2HD1 ILE 89 -5.627 0.832 5.421 659 3HD1 ILE 89 3HD1 ILE 89 -6.941 -0.368 5.379 660 H THR 90 H THR 90 -10.080 3.110 2.107 661 HA THR 90 HA THR 90 -10.117 0.910 0.529 662 HB THR 90 HB THR 90 -11.778 3.262 1.063 663 HG1 THR 90 1HG THR 90 -12.081 0.942 1.626 664 1HG2 THR 90 1HG2 THR 90 -13.239 2.787 -1.021 665 2HG2 THR 90 2HG2 THR 90 -11.791 3.783 -1.303 666 3HG2 THR 90 3HG2 THR 90 -11.785 2.058 -1.746 667 H ALA 91 H ALA 91 -9.038 4.191 -0.399 668 HA ALA 91 HA ALA 91 -8.868 3.559 -3.162 669 1HB ALA 91 1HB ALA 91 -7.366 5.696 -3.049 670 2HB ALA 91 2HB ALA 91 -9.100 5.841 -2.670 671 3HB ALA 91 3HB ALA 91 -7.903 5.779 -1.353 672 H ALA 92 H ALA 92 -6.600 3.549 -0.359 673 HA ALA 92 HA ALA 92 -4.283 3.032 -1.818 674 1HB ALA 92 1HB ALA 92 -3.377 3.110 0.246 675 2HB ALA 92 2HB ALA 92 -5.023 3.427 0.846 676 3HB ALA 92 3HB ALA 92 -4.389 1.764 0.822 677 H ILE 93 H ILE 93 -6.854 0.889 -0.501 678 HA ILE 93 HA ILE 93 -5.462 -1.498 -1.148 679 HB ILE 93 HB ILE 93 -8.415 -1.103 -0.672 680 1HG1 ILE 93 1HG1 ILE 93 -6.145 -1.374 1.314 681 2HG1 ILE 93 2HG1 ILE 93 -7.263 -0.035 1.149 682 1HG2 ILE 93 1HG2 ILE 93 -7.168 -3.343 -1.520 683 2HG2 ILE 93 2HG2 ILE 93 -6.993 -3.534 0.241 684 3HG2 ILE 93 3HG2 ILE 93 -8.610 -3.340 -0.477 685 1HD1 ILE 93 1HD1 ILE 93 -9.144 -1.413 1.862 686 2HD1 ILE 93 2HD1 ILE 93 -8.137 -2.880 1.823 687 3HD1 ILE 93 3HD1 ILE 93 -7.825 -1.620 3.040 688 H GLN 94 H GLN 94 -8.140 0.388 -2.698 689 HA GLN 94 HA GLN 94 -8.537 -1.323 -4.798 690 1HB GLN 94 1HB GLN 94 -9.874 0.769 -4.069 691 2HB GLN 94 2HB GLN 94 -8.732 1.705 -5.014 692 1HG GLN 94 1HG GLN 94 -9.667 1.061 -6.995 693 2HG GLN 94 2HG GLN 94 -9.745 -0.622 -6.513 694 1HE2 GLN 94 1HE2 GLN 94 -11.596 1.640 -7.646 695 2HE2 GLN 94 2HE2 GLN 94 -13.098 1.394 -6.819 696 H CYS 95 H CYS 95 -6.288 1.505 -4.516 697 HA CYS 95 HA CYS 95 -5.291 1.234 -7.128 698 1HB CYS 95 1HB CYS 95 -4.881 2.945 -4.853 699 2HB CYS 95 2HB CYS 95 -3.326 2.450 -5.493 700 H ALA 96 H ALA 96 -4.339 0.011 -3.871 701 HA ALA 96 HA ALA 96 -1.871 -1.024 -4.449 702 1HB ALA 96 1HB ALA 96 -2.641 -2.789 -2.662 703 2HB ALA 96 2HB ALA 96 -2.520 -1.073 -2.205 704 3HB ALA 96 3HB ALA 96 -4.110 -1.786 -2.573 705 H LYS 97 H LYS 97 -5.119 -2.594 -4.848 706 HA LYS 97 HA LYS 97 -4.008 -4.937 -5.986 707 1HB LYS 97 1HB LYS 97 -6.339 -5.519 -6.457 708 2HB LYS 97 2HB LYS 97 -6.132 -4.970 -4.807 709 1HG LYS 97 1HG LYS 97 -7.085 -2.803 -5.298 710 2HG LYS 97 2HG LYS 97 -6.981 -3.065 -7.028 711 1HD LYS 97 1HD LYS 97 -8.514 -5.241 -6.195 712 2HD LYS 97 2HD LYS 97 -9.046 -3.977 -5.104 713 1HE LYS 97 1HE LYS 97 -9.349 -2.471 -7.167 714 2HE LYS 97 2HE LYS 97 -9.058 -3.889 -8.155 715 1HZ LYS 97 1HZ LYS 97 -11.368 -3.656 -7.822 716 2HZ LYS 97 2HZ LYS 97 -10.903 -4.953 -6.948 717 3HZ LYS 97 3HZ LYS 97 -11.220 -3.537 -6.200 718 H ARG 98 H ARG 98 -5.458 -1.904 -7.292 719 HA ARG 98 HA ARG 98 -5.474 -2.722 -9.922 720 1HB ARG 98 1HB ARG 98 -6.624 -0.677 -8.990 721 2HB ARG 98 2HB ARG 98 -5.065 0.106 -8.822 722 1HG ARG 98 1HG ARG 98 -5.303 0.854 -10.951 723 2HG ARG 98 2HG ARG 98 -5.071 -0.796 -11.491 724 1HD ARG 98 1HD ARG 98 -7.346 -1.157 -11.843 725 2HD ARG 98 2HD ARG 98 -7.833 -0.086 -10.544 726 HE ARG 98 HE ARG 98 -6.593 1.513 -12.547 727 1HH1 ARG 98 2HH2 ARG 98 -9.481 -0.453 -12.130 728 2HH1 ARG 98 1HH2 ARG 98 -10.422 0.460 -13.262 729 1HH2 ARG 98 2HH1 ARG 98 -7.833 2.718 -14.042 730 2HH2 ARG 98 1HH1 ARG 98 -9.477 2.276 -14.357 731 H VAL 99 H VAL 99 -2.863 -1.772 -7.781 732 HA VAL 99 HA VAL 99 -1.074 -1.088 -9.945 733 HB VAL 99 HB VAL 99 -0.918 -1.180 -6.946 734 1HG1 VAL 99 1HG1 VAL 99 1.447 -0.455 -7.102 735 2HG1 VAL 99 2HG1 VAL 99 1.200 -2.114 -7.698 736 3HG1 VAL 99 3HG1 VAL 99 1.412 -0.775 -8.852 737 1HG2 VAL 99 1HG2 VAL 99 -1.927 0.785 -8.113 738 2HG2 VAL 99 2HG2 VAL 99 -0.486 1.187 -7.148 739 3HG2 VAL 99 3HG2 VAL 99 -0.364 1.059 -8.919 740 H VAL 100 H VAL 100 -1.237 -3.603 -7.321 741 HA VAL 100 HA VAL 100 0.856 -5.138 -8.284 742 HB VAL 100 HB VAL 100 -1.608 -5.820 -6.680 743 1HG1 VAL 100 1HG1 VAL 100 0.812 -7.529 -7.324 744 2HG1 VAL 100 2HG1 VAL 100 -0.286 -7.852 -5.960 745 3HG1 VAL 100 3HG1 VAL 100 -0.903 -7.895 -7.629 746 1HG2 VAL 100 1HG2 VAL 100 0.296 -5.964 -4.880 747 2HG2 VAL 100 2HG2 VAL 100 1.192 -4.942 -6.030 748 3HG2 VAL 100 3HG2 VAL 100 -0.359 -4.381 -5.363 749 H ARG 101 H ARG 101 -2.487 -4.780 -9.381 750 HA ARG 101 HA ARG 101 -2.869 -7.141 -10.643 751 1HB ARG 101 1HB ARG 101 -4.070 -4.560 -10.625 752 2HB ARG 101 2HB ARG 101 -3.787 -4.912 -12.318 753 1HG ARG 101 1HG ARG 101 -4.808 -7.299 -11.672 754 2HG ARG 101 2HG ARG 101 -5.504 -6.411 -10.330 755 1HD ARG 101 1HD ARG 101 -6.523 -4.779 -11.937 756 2HD ARG 101 2HD ARG 101 -5.829 -5.669 -13.279 757 HE ARG 101 HE ARG 101 -7.436 -7.358 -11.509 758 1HH1 ARG 101 2HH2 ARG 101 -7.541 -5.164 -14.259 759 2HH1 ARG 101 1HH2 ARG 101 -9.022 -5.813 -14.883 760 1HH2 ARG 101 2HH1 ARG 101 -9.390 -8.213 -12.331 761 2HH2 ARG 101 1HH1 ARG 101 -10.080 -7.558 -13.778 762 H ASP 102 H ASP 102 -0.532 -4.650 -11.337 763 HA ASP 102 HA ASP 102 -0.287 -5.225 -14.096 764 1HB ASP 102 1HB ASP 102 0.759 -3.328 -12.198 765 2HB ASP 102 2HB ASP 102 2.133 -4.096 -12.970 766 HA PRO 103 HA PRO 103 2.828 -8.316 -13.812 767 1HB PRO 103 1HB PRO 103 4.848 -7.574 -15.497 768 2HB PRO 103 2HB PRO 103 3.342 -8.273 -16.056 769 1HG PRO 103 1HG PRO 103 4.239 -5.460 -16.185 770 2HG PRO 103 2HG PRO 103 2.964 -6.248 -17.092 771 1HD PRO 103 1HD PRO 103 2.639 -4.483 -14.855 772 2HD PRO 103 2HD PRO 103 1.373 -5.362 -15.689 773 H GLN 104 H GLN 104 3.357 -5.447 -12.405 774 HA GLN 104 HA GLN 104 6.063 -5.692 -11.758 775 1HB GLN 104 1HB GLN 104 3.853 -4.256 -10.221 776 2HB GLN 104 2HB GLN 104 5.573 -3.968 -10.050 777 1HG GLN 104 1HG GLN 104 4.535 -3.791 -12.847 778 2HG GLN 104 2HG GLN 104 3.935 -2.559 -11.753 779 1HE2 GLN 104 1HE2 GLN 104 5.357 -1.642 -13.729 780 2HE2 GLN 104 2HE2 GLN 104 6.960 -1.166 -13.273 781 H GLY 105 H GLY 105 3.086 -6.291 -9.742 782 1HA GLY 105 1HA GLY 105 2.681 -7.924 -8.225 783 2HA GLY 105 2HA GLY 105 4.201 -8.691 -8.638 784 H ILE 106 H ILE 106 3.183 -8.385 -5.946 785 HA ILE 106 HA ILE 106 3.939 -6.286 -4.474 786 HB ILE 106 HB ILE 106 3.979 -9.228 -4.008 787 1HG1 ILE 106 1HG1 ILE 106 1.897 -7.797 -4.001 788 2HG1 ILE 106 2HG1 ILE 106 2.157 -8.782 -2.576 789 1HG2 ILE 106 1HG2 ILE 106 5.393 -7.204 -2.333 790 2HG2 ILE 106 2HG2 ILE 106 4.450 -8.468 -1.508 791 3HG2 ILE 106 3HG2 ILE 106 5.762 -8.921 -2.622 792 1HD1 ILE 106 1HD1 ILE 106 2.555 -5.789 -2.888 793 2HD1 ILE 106 2HD1 ILE 106 1.557 -6.661 -1.698 794 3HD1 ILE 106 3HD1 ILE 106 3.332 -6.686 -1.560 795 H ARG 107 H ARG 107 6.069 -8.524 -6.214 796 HA ARG 107 HA ARG 107 8.394 -8.316 -5.002 797 1HB ARG 107 1HB ARG 107 7.713 -9.232 -7.400 798 2HB ARG 107 2HB ARG 107 8.297 -7.681 -7.972 799 1HG ARG 107 1HG ARG 107 10.521 -8.089 -7.181 800 2HG ARG 107 2HG ARG 107 10.003 -9.387 -6.125 801 1HD ARG 107 1HD ARG 107 9.553 -10.861 -8.012 802 2HD ARG 107 2HD ARG 107 9.739 -9.551 -9.160 803 HE ARG 107 HE ARG 107 12.119 -9.986 -7.503 804 1HH1 ARG 107 2HH2 ARG 107 10.439 -10.930 -10.448 805 2HH1 ARG 107 1HH2 ARG 107 11.873 -11.500 -11.235 806 1HH2 ARG 107 2HH1 ARG 107 14.011 -10.739 -8.542 807 2HH2 ARG 107 1HH1 ARG 107 13.918 -11.391 -10.144 808 H ALA 108 H ALA 108 6.714 -5.707 -6.790 809 HA ALA 108 HA ALA 108 8.650 -3.881 -7.213 810 1HB ALA 108 1HB ALA 108 6.919 -2.356 -7.386 811 2HB ALA 108 2HB ALA 108 5.996 -3.877 -7.447 812 3HB ALA 108 3HB ALA 108 6.098 -2.957 -5.926 813 H TRP 109 H TRP 109 7.218 -4.866 -4.084 814 HA TRP 109 HA TRP 109 8.861 -2.866 -2.728 815 1HB TRP 109 1HB TRP 109 6.661 -4.677 -1.717 816 2HB TRP 109 2HB TRP 109 7.574 -3.558 -0.724 817 HD1 TRP 109 HD TRP 109 7.091 -0.874 -1.169 818 HE1 TRP 109 1HE TRP 109 5.035 0.464 -2.141 819 HE3 TRP 109 3HE TRP 109 4.883 -4.867 -3.412 820 HZ2 TRP 109 2HZ TRP 109 2.767 -0.281 -3.704 821 HZ3 TRP 109 3HZ TRP 109 2.749 -4.475 -4.641 822 HH2 TRP 109 HH TRP 109 1.693 -2.278 -4.809 823 H VAL 110 H VAL 110 10.676 -4.369 -3.782 824 HA VAL 110 HA VAL 110 11.223 -6.892 -3.076 825 HB VAL 110 HB VAL 110 13.062 -4.499 -3.194 826 1HG1 VAL 110 1HG1 VAL 110 14.566 -6.746 -3.852 827 2HG1 VAL 110 2HG1 VAL 110 14.665 -5.810 -2.341 828 3HG1 VAL 110 3HG1 VAL 110 13.635 -7.259 -2.425 829 1HG2 VAL 110 1HG2 VAL 110 11.945 -4.856 -5.281 830 2HG2 VAL 110 2HG2 VAL 110 13.602 -5.482 -5.451 831 3HG2 VAL 110 3HG2 VAL 110 12.245 -6.610 -5.213 832 H ALA 111 H ALA 111 11.176 -4.050 -0.949 833 HA ALA 111 HA ALA 111 12.675 -4.834 1.160 834 1HB ALA 111 1HB ALA 111 11.070 -2.774 0.695 835 2HB ALA 111 2HB ALA 111 9.922 -3.728 1.663 836 3HB ALA 111 3HB ALA 111 11.486 -3.244 2.361 837 H TRP 112 H TRP 112 9.251 -5.812 0.460 838 HA TRP 112 HA TRP 112 8.903 -7.399 2.701 839 1HB TRP 112 1HB TRP 112 6.908 -7.200 1.738 840 2HB TRP 112 2HB TRP 112 7.585 -6.955 0.141 841 HD1 TRP 112 HD TRP 112 5.922 -9.615 2.246 842 HE1 TRP 112 1HE TRP 112 5.627 -11.890 0.942 843 HE3 TRP 112 3HE TRP 112 8.897 -8.355 -1.680 844 HZ2 TRP 112 2HZ TRP 112 6.648 -12.885 -1.530 845 HZ3 TRP 112 3HZ TRP 112 9.195 -10.035 -3.497 846 HH2 TRP 112 HH TRP 112 8.130 -12.235 -3.465 847 H ARG 113 H ARG 113 10.411 -8.031 -0.506 848 HA ARG 113 HA ARG 113 10.662 -10.762 -0.181 849 1HB ARG 113 1HB ARG 113 11.011 -9.320 -2.304 850 2HB ARG 113 2HB ARG 113 12.617 -8.971 -1.698 851 1HG ARG 113 1HG ARG 113 12.089 -11.846 -1.565 852 2HG ARG 113 2HG ARG 113 11.800 -11.251 -3.188 853 1HD ARG 113 1HD ARG 113 14.116 -9.989 -2.846 854 2HD ARG 113 2HD ARG 113 14.366 -11.170 -1.576 855 HE ARG 113 HE ARG 113 14.412 -11.674 -4.445 856 1HH1 ARG 113 2HH2 ARG 113 13.763 -13.152 -1.318 857 2HH1 ARG 113 1HH2 ARG 113 14.088 -14.761 -1.868 858 1HH2 ARG 113 2HH1 ARG 113 14.841 -13.798 -5.171 859 2HH2 ARG 113 1HH1 ARG 113 14.706 -15.132 -4.074 860 H ALA 114 H ALA 114 12.199 -8.136 1.444 861 HA ALA 114 HA ALA 114 14.290 -9.962 2.413 862 1HB ALA 114 1HB ALA 114 15.193 -8.193 0.896 863 2HB ALA 114 2HB ALA 114 14.520 -6.955 1.983 864 3HB ALA 114 3HB ALA 114 15.800 -8.048 2.563 865 H HIS 115 H HIS 115 11.525 -9.531 3.381 866 HA HIS 115 HA HIS 115 12.255 -8.832 6.076 867 1HB HIS 115 1HB HIS 115 11.203 -6.824 4.515 868 2HB HIS 115 2HB HIS 115 9.765 -7.482 5.269 869 HD1 HIS 115 1HD HIS 115 9.187 -6.157 7.294 870 HD2 HIS 115 2HD HIS 115 13.335 -6.576 6.833 871 HE1 HIS 115 1HE HIS 115 10.252 -4.965 9.283 872 HE2 HIS 115 2HE HIS 115 12.798 -5.303 8.974 873 H CYS 116 H CYS 116 9.639 -9.720 3.738 874 HA CYS 116 HA CYS 116 8.327 -11.236 5.817 875 1HB CYS 116 1HB CYS 116 7.559 -10.021 3.315 876 2HB CYS 116 2HB CYS 116 7.095 -11.711 3.325 877 H GLN 117 H GLN 117 9.797 -11.740 2.525 878 HA GLN 117 HA GLN 117 9.685 -14.550 2.810 879 1HB GLN 117 1HB GLN 117 10.332 -12.613 0.740 880 2HB GLN 117 2HB GLN 117 11.563 -13.859 0.780 881 1HG GLN 117 1HG GLN 117 8.855 -14.988 1.050 882 2HG GLN 117 2HG GLN 117 9.027 -14.058 -0.425 883 1HE2 GLN 117 1HE2 GLN 117 8.886 -15.907 -1.681 884 2HE2 GLN 117 2HE2 GLN 117 10.187 -17.037 -1.853 885 H ASN 118 H ASN 118 10.846 -13.999 5.113 886 HA ASN 118 HA ASN 118 13.596 -14.774 4.643 887 1HB ASN 118 1HB ASN 118 13.047 -12.183 5.372 888 2HB ASN 118 2HB ASN 118 13.112 -12.920 6.960 889 1HD2 ASN 118 1HD2 ASN 118 14.863 -11.421 4.631 890 2HD2 ASN 118 2HD2 ASN 118 16.466 -11.957 5.007 891 H ARG 119 H ARG 119 11.273 -13.885 7.322 892 HA ARG 119 HA ARG 119 11.773 -16.539 8.412 893 1HB ARG 119 1HB ARG 119 12.641 -14.291 9.643 894 2HB ARG 119 2HB ARG 119 10.993 -14.266 10.240 895 1HG ARG 119 1HG ARG 119 11.801 -16.957 10.549 896 2HG ARG 119 2HG ARG 119 13.218 -16.029 11.000 897 1HD ARG 119 1HD ARG 119 10.946 -14.714 12.180 898 2HD ARG 119 2HD ARG 119 10.772 -16.428 12.505 899 HE ARG 119 HE ARG 119 13.473 -15.351 12.999 900 1HH1 ARG 119 2HH2 ARG 119 10.322 -16.103 14.372 901 2HH1 ARG 119 1HH2 ARG 119 10.904 -16.161 16.003 902 1HH2 ARG 119 2HH1 ARG 119 14.241 -15.427 15.150 903 2HH2 ARG 119 1HH1 ARG 119 13.149 -15.774 16.448 904 H ASP 120 H ASP 120 9.850 -16.507 10.485 905 HA ASP 120 HA ASP 120 7.470 -16.637 8.894 906 1HB ASP 120 1HB ASP 120 8.208 -18.415 10.578 907 2HB ASP 120 2HB ASP 120 7.856 -17.268 11.855 908 H LEU 121 H LEU 121 6.574 -14.546 8.634 909 HA LEU 121 HA LEU 121 6.404 -12.873 11.027 910 1HB LEU 121 1HB LEU 121 7.463 -12.094 8.832 911 2HB LEU 121 2HB LEU 121 5.834 -12.047 8.190 912 HG LEU 121 HG LEU 121 5.172 -10.378 9.821 913 1HD1 LEU 121 1HD1 LEU 121 6.328 -10.928 11.787 914 2HD1 LEU 121 2HD1 LEU 121 7.915 -10.853 10.984 915 3HD1 LEU 121 3HD1 LEU 121 6.999 -9.357 11.289 916 1HD2 LEU 121 1HD2 LEU 121 6.497 -9.826 7.657 917 2HD2 LEU 121 2HD2 LEU 121 6.230 -8.552 8.869 918 3HD2 LEU 121 3HD2 LEU 121 7.805 -9.374 8.776 919 H SER 122 H SER 122 4.745 -15.357 10.271 920 HA SER 122 HA SER 122 2.211 -14.348 9.587 921 1HB SER 122 1HB SER 122 3.259 -16.792 9.446 922 2HB SER 122 2HB SER 122 2.593 -16.960 11.057 923 HG SER 122 HG SER 122 0.783 -15.826 9.252 924 H GLN 123 H GLN 123 4.069 -14.670 12.558 925 HA GLN 123 HA GLN 123 1.843 -14.688 14.288 926 1HB GLN 123 1HB GLN 123 4.156 -15.537 14.854 927 2HB GLN 123 2HB GLN 123 4.722 -13.879 14.886 928 1HG GLN 123 1HG GLN 123 4.229 -14.363 17.163 929 2HG GLN 123 2HG GLN 123 2.852 -13.425 16.621 930 1HE2 GLN 123 1HE2 GLN 123 3.841 -16.175 18.175 931 2HE2 GLN 123 2HE2 GLN 123 2.396 -17.128 18.108 932 H TYR 124 H TYR 124 3.235 -12.297 12.284 933 HA TYR 124 HA TYR 124 2.840 -10.054 14.010 934 1HB TYR 124 1HB TYR 124 4.155 -10.716 11.614 935 2HB TYR 124 2HB TYR 124 2.784 -9.804 11.013 936 HD1 TYR 124 1HD TYR 124 3.636 -7.746 10.315 937 HD2 TYR 124 2HD TYR 124 4.818 -9.301 14.121 938 HE1 TYR 124 1HE TYR 124 4.859 -5.577 10.830 939 HE2 TYR 124 2HE TYR 124 6.036 -7.127 14.623 940 HH TYR 124 HH TYR 124 5.489 -4.362 13.099 941 H ILE 125 H ILE 125 0.878 -11.929 11.723 942 HA ILE 125 HA ILE 125 -1.220 -9.892 11.939 943 HB ILE 125 HB ILE 125 -2.217 -11.017 9.991 944 1HG1 ILE 125 1HG1 ILE 125 0.148 -12.466 9.136 945 2HG1 ILE 125 2HG1 ILE 125 -0.459 -13.111 10.648 946 1HG2 ILE 125 1HG2 ILE 125 -0.595 -9.063 9.871 947 2HG2 ILE 125 2HG2 ILE 125 0.642 -10.248 9.389 948 3HG2 ILE 125 3HG2 ILE 125 -0.810 -10.017 8.385 949 1HD1 ILE 125 1HD1 ILE 125 -2.453 -13.824 9.718 950 2HD1 ILE 125 2HD1 ILE 125 -2.512 -12.478 8.554 951 3HD1 ILE 125 3HD1 ILE 125 -1.447 -13.872 8.251 952 H ARG 126 H ARG 126 -0.269 -13.240 12.647 953 HA ARG 126 HA ARG 126 -2.901 -14.001 13.349 954 1HB ARG 126 1HB ARG 126 -1.040 -15.571 12.557 955 2HB ARG 126 2HB ARG 126 -0.263 -15.347 14.112 956 1HG ARG 126 1HG ARG 126 -1.499 -17.206 14.676 957 2HG ARG 126 2HG ARG 126 -2.743 -16.013 14.996 958 1HD ARG 126 1HD ARG 126 -3.903 -17.495 13.597 959 2HD ARG 126 2HD ARG 126 -3.336 -16.319 12.429 960 HE ARG 126 HE ARG 126 -1.453 -18.526 12.878 961 1HH1 ARG 126 2HH2 ARG 126 -4.218 -17.412 11.008 962 2HH1 ARG 126 1HH2 ARG 126 -3.919 -18.490 9.686 963 1HH2 ARG 126 2HH1 ARG 126 -1.059 -19.948 11.134 964 2HH2 ARG 126 1HH1 ARG 126 -2.110 -19.941 9.757 965 H ASN 127 H ASN 127 -3.885 -13.907 15.382 966 HA ASN 127 HA ASN 127 -4.150 -13.598 17.522 967 1HB ASN 127 1HB ASN 127 -1.915 -14.897 17.760 968 2HB ASN 127 2HB ASN 127 -1.126 -13.337 17.897 969 1HD2 ASN 127 1HD2 ASN 127 -1.012 -15.227 19.890 970 2HD2 ASN 127 2HD2 ASN 127 -1.867 -14.685 21.296 971 H CYS 128 H CYS 128 -3.592 -11.457 15.375 972 HA CYS 128 HA CYS 128 -2.488 -9.293 16.936 973 1HB CYS 128 1HB CYS 128 -2.354 -9.883 14.290 974 2HB CYS 128 2HB CYS 128 -3.687 -8.747 14.287 975 H GLY 129 H GLY 129 -5.583 -10.567 15.654 976 1HA GLY 129 1HA GLY 129 -7.171 -9.342 17.584 977 2HA GLY 129 2HA GLY 129 -7.172 -8.291 16.181 978 H VAL 130 H VAL 130 -6.789 -10.487 14.203 979 HA VAL 130 HA VAL 130 -9.560 -11.342 14.141 980 HB VAL 130 HB VAL 130 -7.292 -11.378 12.148 981 1HG1 VAL 130 1HG1 VAL 130 -9.433 -13.176 12.202 982 2HG1 VAL 130 2HG1 VAL 130 -9.924 -11.929 11.031 983 3HG1 VAL 130 3HG1 VAL 130 -8.387 -12.799 10.812 984 1HG2 VAL 130 1HG2 VAL 130 -9.923 -9.919 11.903 985 2HG2 VAL 130 2HG2 VAL 130 -8.552 -9.214 12.793 986 3HG2 VAL 130 3HG2 VAL 130 -8.383 -9.610 11.065 Start of MODEL 13 1 H LYS 1 H LYS 1 -3.968 9.227 8.186 2 HA LYS 1 HA LYS 1 -4.020 9.507 10.816 3 1HB LYS 1 1HB LYS 1 -5.772 8.576 8.903 4 2HB LYS 1 2HB LYS 1 -5.639 7.197 9.976 5 1HG LYS 1 1HG LYS 1 -7.379 8.462 10.957 6 2HG LYS 1 2HG LYS 1 -5.984 8.906 11.921 7 1HD LYS 1 1HD LYS 1 -5.969 10.708 9.721 8 2HD LYS 1 2HD LYS 1 -7.649 10.592 10.206 9 1HE LYS 1 1HE LYS 1 -5.950 10.770 12.573 10 2HE LYS 1 2HE LYS 1 -5.580 12.086 11.478 11 1HZ LYS 1 1HZ LYS 1 -7.559 12.998 11.834 12 2HZ LYS 1 2HZ LYS 1 -8.375 11.585 11.782 13 3HZ LYS 1 3HZ LYS 1 -7.641 12.052 13.163 14 H VAL 2 H VAL 2 -4.907 6.994 11.995 15 HA VAL 2 HA VAL 2 -2.257 5.888 12.506 16 HB VAL 2 HB VAL 2 -4.890 5.693 13.979 17 1HG1 VAL 2 1HG1 VAL 2 -3.224 3.693 14.107 18 2HG1 VAL 2 2HG1 VAL 2 -2.241 4.796 15.100 19 3HG1 VAL 2 3HG1 VAL 2 -3.891 4.368 15.613 20 1HG2 VAL 2 1HG2 VAL 2 -2.979 6.880 15.623 21 2HG2 VAL 2 2HG2 VAL 2 -2.686 7.605 14.024 22 3HG2 VAL 2 3HG2 VAL 2 -4.301 7.705 14.764 23 H TYR 3 H TYR 3 -1.656 3.879 11.832 24 HA TYR 3 HA TYR 3 -3.586 1.833 11.382 25 1HB TYR 3 1HB TYR 3 -2.529 3.643 9.229 26 2HB TYR 3 2HB TYR 3 -2.343 1.942 8.857 27 HD1 TYR 3 1HD TYR 3 -4.667 4.715 9.112 28 HD2 TYR 3 2HD TYR 3 -4.379 0.461 8.746 29 HE1 TYR 3 1HE TYR 3 -7.085 4.610 8.335 30 HE2 TYR 3 2HE TYR 3 -6.798 0.372 7.970 31 HH TYR 3 HH TYR 3 -8.463 3.067 6.946 32 H GLU 4 H GLU 4 -2.400 0.366 12.561 33 HA GLU 4 HA GLU 4 0.385 0.074 11.750 34 1HB GLU 4 1HB GLU 4 0.839 -0.835 13.945 35 2HB GLU 4 2HB GLU 4 -0.067 0.649 14.165 36 1HG GLU 4 1HG GLU 4 -2.108 -0.534 14.646 37 2HG GLU 4 2HG GLU 4 -1.471 -2.047 14.031 38 H ARG 5 H ARG 5 1.163 -2.365 12.185 39 HA ARG 5 HA ARG 5 0.256 -3.923 10.296 40 1HB ARG 5 1HB ARG 5 0.923 -5.921 11.833 41 2HB ARG 5 2HB ARG 5 2.142 -4.701 11.526 42 1HG ARG 5 1HG ARG 5 1.074 -3.572 13.720 43 2HG ARG 5 2HG ARG 5 0.562 -5.216 14.044 44 1HD ARG 5 1HD ARG 5 2.922 -6.006 13.828 45 2HD ARG 5 2HD ARG 5 3.445 -4.373 13.468 46 HE ARG 5 HE ARG 5 2.835 -5.442 16.093 47 1HH1 ARG 5 2HH2 ARG 5 2.742 -2.488 14.184 48 2HH1 ARG 5 1HH2 ARG 5 2.845 -1.443 15.562 49 1HH2 ARG 5 2HH1 ARG 5 2.971 -4.065 17.911 50 2HH2 ARG 5 1HH1 ARG 5 2.977 -2.346 17.696 51 H CYS 6 H CYS 6 -0.976 -4.099 13.722 52 HA CYS 6 HA CYS 6 -2.904 -6.004 13.287 53 1HB CYS 6 1HB CYS 6 -2.905 -3.698 15.245 54 2HB CYS 6 2HB CYS 6 -4.022 -5.048 15.298 55 H GLU 7 H GLU 7 -3.789 -2.556 13.953 56 HA GLU 7 HA GLU 7 -6.213 -2.482 12.994 57 1HB GLU 7 1HB GLU 7 -4.017 -0.522 13.147 58 2HB GLU 7 2HB GLU 7 -5.197 -0.103 11.922 59 1HG GLU 7 1HG GLU 7 -6.231 -1.002 14.609 60 2HG GLU 7 2HG GLU 7 -5.518 0.596 14.505 61 H PHE 8 H PHE 8 -3.416 -1.647 10.810 62 HA PHE 8 HA PHE 8 -4.705 -1.480 8.466 63 1HB PHE 8 1HB PHE 8 -2.136 -1.468 9.265 64 2HB PHE 8 2HB PHE 8 -2.160 -3.147 8.764 65 HD1 PHE 8 1HD PHE 8 -2.827 0.291 7.514 66 HD2 PHE 8 2HD PHE 8 -1.815 -3.710 6.524 67 HE1 PHE 8 1HE PHE 8 -2.376 0.991 5.147 68 HE2 PHE 8 2HE PHE 8 -1.364 -3.010 4.156 69 HZ PHE 8 HZ PHE 8 -1.650 -0.668 3.495 70 H ALA 9 H ALA 9 -3.509 -4.555 9.982 71 HA ALA 9 HA ALA 9 -4.302 -6.241 7.925 72 1HB ALA 9 1HB ALA 9 -3.597 -6.457 10.815 73 2HB ALA 9 2HB ALA 9 -4.499 -7.823 10.117 74 3HB ALA 9 3HB ALA 9 -2.942 -7.330 9.409 75 H ARG 10 H ARG 10 -6.032 -5.361 11.000 76 HA ARG 10 HA ARG 10 -8.258 -6.806 10.617 77 1HB ARG 10 1HB ARG 10 -7.561 -5.142 12.534 78 2HB ARG 10 2HB ARG 10 -8.425 -3.931 11.608 79 1HG ARG 10 1HG ARG 10 -10.506 -5.210 11.737 80 2HG ARG 10 2HG ARG 10 -9.679 -6.583 12.446 81 1HD ARG 10 1HD ARG 10 -9.388 -5.510 14.534 82 2HD ARG 10 2HD ARG 10 -9.509 -3.903 13.844 83 HE ARG 10 HE ARG 10 -11.843 -4.017 14.033 84 1HH1 ARG 10 2HH2 ARG 10 -10.493 -7.250 14.357 85 2HH1 ARG 10 1HH2 ARG 10 -12.000 -7.972 14.815 86 1HH2 ARG 10 2HH1 ARG 10 -13.831 -4.968 14.638 87 2HH2 ARG 10 1HH1 ARG 10 -13.911 -6.665 14.976 88 H THR 11 H THR 11 -7.721 -3.372 9.523 89 HA THR 11 HA THR 11 -10.140 -3.037 8.218 90 HB THR 11 HB THR 11 -7.340 -1.880 7.808 91 HG1 THR 11 1HG THR 11 -8.713 -0.095 8.877 92 1HG2 THR 11 1HG2 THR 11 -8.300 -0.127 6.480 93 2HG2 THR 11 2HG2 THR 11 -8.955 -1.620 5.765 94 3HG2 THR 11 3HG2 THR 11 -9.961 -0.642 6.861 95 H LEU 12 H LEU 12 -6.983 -4.137 6.810 96 HA LEU 12 HA LEU 12 -7.797 -4.478 4.244 97 1HB LEU 12 1HB LEU 12 -5.603 -5.175 5.834 98 2HB LEU 12 2HB LEU 12 -6.132 -6.682 5.113 99 HG LEU 12 HG LEU 12 -6.162 -4.914 2.969 100 1HD1 LEU 12 1HD1 LEU 12 -3.440 -4.438 3.974 101 2HD1 LEU 12 2HD1 LEU 12 -4.555 -3.360 3.099 102 3HD1 LEU 12 3HD1 LEU 12 -4.714 -3.565 4.860 103 1HD2 LEU 12 1HD2 LEU 12 -3.982 -6.834 3.836 104 2HD2 LEU 12 2HD2 LEU 12 -5.441 -7.237 2.901 105 3HD2 LEU 12 3HD2 LEU 12 -4.198 -6.174 2.198 106 H LYS 13 H LYS 13 -8.060 -6.908 6.930 107 HA LYS 13 HA LYS 13 -9.457 -8.760 5.323 108 1HB LYS 13 1HB LYS 13 -8.093 -9.052 7.544 109 2HB LYS 13 2HB LYS 13 -9.620 -8.696 8.325 110 1HG LYS 13 1HG LYS 13 -10.032 -10.608 6.153 111 2HG LYS 13 2HG LYS 13 -8.779 -11.188 7.233 112 1HD LYS 13 1HD LYS 13 -10.234 -11.112 9.146 113 2HD LYS 13 2HD LYS 13 -11.411 -10.112 8.316 114 1HE LYS 13 1HE LYS 13 -12.476 -11.937 7.480 115 2HE LYS 13 2HE LYS 13 -10.988 -12.562 6.798 116 1HZ LYS 13 1HZ LYS 13 -10.627 -13.053 9.376 117 2HZ LYS 13 2HZ LYS 13 -12.250 -13.208 9.287 118 3HZ LYS 13 3HZ LYS 13 -11.289 -14.124 8.337 119 H ARG 14 H ARG 14 -10.359 -5.865 7.110 120 HA ARG 14 HA ARG 14 -13.078 -6.590 7.326 121 1HB ARG 14 1HB ARG 14 -11.865 -4.917 8.816 122 2HB ARG 14 2HB ARG 14 -11.816 -3.806 7.462 123 1HG ARG 14 1HG ARG 14 -14.404 -4.108 7.345 124 2HG ARG 14 2HG ARG 14 -14.272 -4.846 8.928 125 1HD ARG 14 1HD ARG 14 -13.063 -2.751 9.732 126 2HD ARG 14 2HD ARG 14 -13.392 -2.018 8.176 127 HE ARG 14 HE ARG 14 -15.840 -3.052 9.285 128 1HH1 ARG 14 2HH2 ARG 14 -13.538 -0.422 9.694 129 2HH1 ARG 14 1HH2 ARG 14 -14.705 0.663 10.373 130 1HH2 ARG 14 2HH1 ARG 14 -17.379 -1.621 10.179 131 2HH2 ARG 14 1HH1 ARG 14 -16.904 -0.024 10.650 132 H ASN 15 H ASN 15 -10.996 -5.183 4.868 133 HA ASN 15 HA ASN 15 -13.199 -3.999 3.466 134 1HB ASN 15 1HB ASN 15 -10.513 -3.407 3.579 135 2HB ASN 15 2HB ASN 15 -10.542 -4.367 2.114 136 1HD2 ASN 15 1HD2 ASN 15 -10.770 -1.335 3.316 137 2HD2 ASN 15 2HD2 ASN 15 -11.655 -0.530 2.063 138 H GLY 16 H GLY 16 -10.912 -6.788 3.276 139 1HA GLY 16 1HA GLY 16 -11.582 -8.878 2.428 140 2HA GLY 16 2HA GLY 16 -12.727 -8.088 1.360 141 H MET 17 H MET 17 -9.190 -7.550 2.029 142 HA MET 17 HA MET 17 -8.794 -7.878 -0.846 143 1HB MET 17 1HB MET 17 -8.363 -5.590 0.649 144 2HB MET 17 2HB MET 17 -6.788 -6.344 0.785 145 1HG MET 17 1HG MET 17 -6.590 -5.025 -1.178 146 2HG MET 17 2HG MET 17 -6.893 -6.631 -1.807 147 1HE MET 17 1HE MET 17 -10.017 -7.200 -2.576 148 2HE MET 17 2HE MET 17 -9.517 -6.325 -4.043 149 3HE MET 17 3HE MET 17 -8.329 -7.290 -3.134 150 H ALA 18 H ALA 18 -7.588 -8.499 2.469 151 HA ALA 18 HA ALA 18 -5.180 -9.727 1.738 152 1HB ALA 18 1HB ALA 18 -4.967 -9.725 3.974 153 2HB ALA 18 2HB ALA 18 -6.626 -9.090 4.090 154 3HB ALA 18 3HB ALA 18 -6.340 -10.846 4.144 155 H GLY 19 H GLY 19 -4.630 -12.015 1.684 156 1HA GLY 19 1HA GLY 19 -5.079 -14.247 1.419 157 2HA GLY 19 2HA GLY 19 -6.801 -13.929 1.490 158 H TYR 20 H TYR 20 -5.200 -11.717 -0.615 159 HA TYR 20 HA TYR 20 -6.585 -12.360 -2.856 160 1HB TYR 20 1HB TYR 20 -4.674 -10.547 -2.047 161 2HB TYR 20 2HB TYR 20 -3.659 -11.564 -3.050 162 HD1 TYR 20 1HD TYR 20 -7.184 -10.319 -3.447 163 HD2 TYR 20 2HD TYR 20 -3.227 -10.499 -5.064 164 HE1 TYR 20 1HE TYR 20 -7.964 -9.066 -5.517 165 HE2 TYR 20 2HE TYR 20 -4.020 -9.246 -7.128 166 HH TYR 20 HH TYR 20 -5.720 -8.435 -8.195 167 H TYR 21 H TYR 21 -5.339 -12.998 -5.059 168 HA TYR 21 HA TYR 21 -5.170 -15.629 -5.272 169 1HB TYR 21 1HB TYR 21 -4.086 -13.219 -6.581 170 2HB TYR 21 2HB TYR 21 -2.946 -14.537 -6.769 171 HD1 TYR 21 1HD TYR 21 -3.991 -16.825 -7.612 172 HD2 TYR 21 2HD TYR 21 -5.818 -12.991 -8.123 173 HE1 TYR 21 1HE TYR 21 -5.371 -17.732 -9.544 174 HE2 TYR 21 2HE TYR 21 -7.192 -13.911 -10.053 175 HH TYR 21 HH TYR 21 -7.644 -17.099 -10.584 176 H GLY 22 H GLY 22 -2.251 -13.570 -4.570 177 1HA GLY 22 1HA GLY 22 -1.010 -15.981 -3.381 178 2HA GLY 22 2HA GLY 22 -0.128 -14.806 -4.336 179 H VAL 23 H VAL 23 -0.486 -12.382 -3.522 180 HA VAL 23 HA VAL 23 0.748 -12.083 -1.134 181 HB VAL 23 HB VAL 23 0.541 -10.307 -2.713 182 1HG1 VAL 23 1HG1 VAL 23 -2.436 -10.311 -2.113 183 2HG1 VAL 23 2HG1 VAL 23 -1.585 -9.118 -3.121 184 3HG1 VAL 23 3HG1 VAL 23 -1.662 -10.821 -3.631 185 1HG2 VAL 23 1HG2 VAL 23 -0.728 -9.742 -0.027 186 2HG2 VAL 23 2HG2 VAL 23 0.948 -9.455 -0.552 187 3HG2 VAL 23 3HG2 VAL 23 -0.370 -8.447 -1.196 188 H SER 24 H SER 24 0.173 -13.073 0.749 189 HA SER 24 HA SER 24 -2.628 -13.221 1.386 190 1HB SER 24 1HB SER 24 -1.810 -14.596 3.335 191 2HB SER 24 2HB SER 24 -1.349 -15.236 1.771 192 HG SER 24 HG SER 24 0.765 -14.596 2.070 193 H LEU 25 H LEU 25 -3.321 -12.639 3.703 194 HA LEU 25 HA LEU 25 -3.019 -10.009 4.215 195 1HB LEU 25 1HB LEU 25 -4.737 -11.234 5.254 196 2HB LEU 25 2HB LEU 25 -3.613 -12.333 6.029 197 HG LEU 25 HG LEU 25 -2.855 -10.573 7.534 198 1HD1 LEU 25 1HD1 LEU 25 -3.054 -8.415 7.073 199 2HD1 LEU 25 2HD1 LEU 25 -3.918 -8.830 5.572 200 3HD1 LEU 25 3HD1 LEU 25 -4.829 -8.547 7.075 201 1HD2 LEU 25 1HD2 LEU 25 -5.178 -10.076 8.616 202 2HD2 LEU 25 2HD2 LEU 25 -5.790 -11.172 7.355 203 3HD2 LEU 25 3HD2 LEU 25 -4.577 -11.749 8.523 204 H ALA 26 H ALA 26 -0.974 -12.708 5.474 205 HA ALA 26 HA ALA 26 0.615 -11.140 7.138 206 1HB ALA 26 1HB ALA 26 1.238 -13.248 7.603 207 2HB ALA 26 2HB ALA 26 0.522 -13.845 6.087 208 3HB ALA 26 3HB ALA 26 2.197 -13.242 6.105 209 H ASP 27 H ASP 27 0.848 -11.954 3.632 210 HA ASP 27 HA ASP 27 3.346 -10.845 3.247 211 1HB ASP 27 1HB ASP 27 1.963 -12.307 1.654 212 2HB ASP 27 2HB ASP 27 1.040 -10.875 1.249 213 H TRP 28 H TRP 28 -0.001 -9.506 3.197 214 HA TRP 28 HA TRP 28 0.667 -6.989 2.137 215 1HB TRP 28 1HB TRP 28 -1.665 -8.058 3.707 216 2HB TRP 28 2HB TRP 28 -1.549 -6.359 3.290 217 HD1 TRP 28 HD TRP 28 -2.622 -9.645 1.825 218 HE1 TRP 28 1HE TRP 28 -3.363 -9.443 -0.699 219 HE3 TRP 28 3HE TRP 28 -0.797 -4.952 1.119 220 HZ2 TRP 28 2HZ TRP 28 -3.108 -7.390 -2.665 221 HZ3 TRP 28 3HZ TRP 28 -1.085 -3.921 -1.133 222 HH2 TRP 28 HH TRP 28 -2.194 -5.062 -2.989 223 H VAL 29 H VAL 29 -0.082 -8.061 5.538 224 HA VAL 29 HA VAL 29 0.495 -5.759 6.843 225 HB VAL 29 HB VAL 29 0.917 -8.651 7.567 226 1HG1 VAL 29 1HG1 VAL 29 2.492 -7.544 8.964 227 2HG1 VAL 29 2HG1 VAL 29 1.372 -6.199 9.289 228 3HG1 VAL 29 3HG1 VAL 29 1.044 -7.814 9.963 229 1HG2 VAL 29 1HG2 VAL 29 -1.187 -8.599 8.438 230 2HG2 VAL 29 2HG2 VAL 29 -1.063 -6.893 8.932 231 3HG2 VAL 29 3HG2 VAL 29 -1.387 -7.306 7.231 232 H CYS 30 H CYS 30 2.865 -8.416 6.098 233 HA CYS 30 HA CYS 30 5.073 -7.094 7.086 234 1HB CYS 30 1HB CYS 30 6.362 -8.734 6.080 235 2HB CYS 30 2HB CYS 30 4.825 -9.526 6.366 236 H LEU 31 H LEU 31 3.627 -7.191 3.758 237 HA LEU 31 HA LEU 31 5.490 -5.691 2.434 238 1HB LEU 31 1HB LEU 31 3.680 -6.866 1.354 239 2HB LEU 31 2HB LEU 31 2.493 -5.810 2.093 240 HG LEU 31 HG LEU 31 3.093 -5.418 -0.364 241 1HD1 LEU 31 1HD1 LEU 31 1.796 -3.859 1.073 242 2HD1 LEU 31 2HD1 LEU 31 3.316 -3.037 1.496 243 3HD1 LEU 31 3HD1 LEU 31 2.747 -3.043 -0.190 244 1HD2 LEU 31 1HD2 LEU 31 5.052 -4.235 -0.935 245 2HD2 LEU 31 2HD2 LEU 31 5.473 -3.941 0.768 246 3HD2 LEU 31 3HD2 LEU 31 5.587 -5.584 0.095 247 H ALA 32 H ALA 32 2.624 -4.543 4.330 248 HA ALA 32 HA ALA 32 3.333 -1.805 3.914 249 1HB ALA 32 1HB ALA 32 1.116 -3.355 4.928 250 2HB ALA 32 2HB ALA 32 1.546 -2.092 6.106 251 3HB ALA 32 3HB ALA 32 1.153 -1.648 4.427 252 H GLN 33 H GLN 33 4.301 -4.376 6.062 253 HA GLN 33 HA GLN 33 4.915 -2.802 8.284 254 1HB GLN 33 1HB GLN 33 4.690 -5.364 8.126 255 2HB GLN 33 2HB GLN 33 6.314 -5.380 7.470 256 1HG GLN 33 1HG GLN 33 6.086 -3.740 9.925 257 2HG GLN 33 2HG GLN 33 5.650 -5.417 10.186 258 1HE2 GLN 33 1HE2 GLN 33 8.068 -3.444 10.592 259 2HE2 GLN 33 2HE2 GLN 33 9.453 -4.424 10.240 260 H HIS 34 H HIS 34 6.959 -4.085 5.565 261 HA HIS 34 HA HIS 34 9.327 -2.944 6.394 262 1HB HIS 34 1HB HIS 34 8.804 -4.662 4.528 263 2HB HIS 34 2HB HIS 34 8.567 -3.267 3.494 264 HD1 HIS 34 1HD HIS 34 11.139 -5.546 4.596 265 HD2 HIS 34 2HD HIS 34 11.019 -1.487 3.543 266 HE1 HIS 34 1HE HIS 34 13.543 -4.872 4.069 267 HE2 HIS 34 2HE HIS 34 13.398 -2.384 3.375 268 H GLU 35 H GLU 35 6.429 -1.479 5.118 269 HA GLU 35 HA GLU 35 7.791 0.836 4.155 270 1HB GLU 35 1HB GLU 35 4.809 0.455 4.661 271 2HB GLU 35 2HB GLU 35 5.551 1.679 3.649 272 1HG GLU 35 1HG GLU 35 6.311 -1.128 2.979 273 2HG GLU 35 2HG GLU 35 4.621 -0.745 2.724 274 H SER 36 H SER 36 5.316 0.253 6.767 275 HA SER 36 HA SER 36 6.539 1.215 8.868 276 1HB SER 36 1HB SER 36 5.977 3.484 7.020 277 2HB SER 36 2HB SER 36 5.489 3.755 8.681 278 HG SER 36 HG SER 36 8.031 2.599 8.458 279 H ASN 37 H ASN 37 4.764 -0.460 9.192 280 HA ASN 37 HA ASN 37 2.092 0.355 8.959 281 1HB ASN 37 1HB ASN 37 1.568 -1.757 10.016 282 2HB ASN 37 2HB ASN 37 2.997 -2.053 9.046 283 1HD2 ASN 37 1HD2 ASN 37 5.067 -2.086 10.055 284 2HD2 ASN 37 2HD2 ASN 37 5.248 -2.526 11.721 285 H TYR 38 H TYR 38 1.320 2.051 10.245 286 HA TYR 38 HA TYR 38 1.016 1.816 12.968 287 1HB TYR 38 1HB TYR 38 2.884 2.980 13.868 288 2HB TYR 38 2HB TYR 38 3.658 2.209 12.499 289 HD1 TYR 38 1HD TYR 38 4.238 3.510 10.480 290 HD2 TYR 38 2HD TYR 38 2.493 5.381 13.909 291 HE1 TYR 38 1HE TYR 38 4.935 5.790 9.600 292 HE2 TYR 38 2HE TYR 38 3.196 7.655 13.018 293 HH TYR 38 HH TYR 38 5.365 8.269 11.163 294 H ASN 39 H ASN 39 1.535 3.938 10.136 295 HA ASN 39 HA ASN 39 -0.851 5.342 10.906 296 1HB ASN 39 1HB ASN 39 1.898 6.600 10.699 297 2HB ASN 39 2HB ASN 39 0.523 7.535 10.146 298 1HD2 ASN 39 1HD2 ASN 39 -0.076 8.925 11.609 299 2HD2 ASN 39 2HD2 ASN 39 -0.217 8.667 13.316 300 H THR 40 H THR 40 -1.625 6.739 8.982 301 HA THR 40 HA THR 40 -0.507 5.714 6.454 302 HB THR 40 HB THR 40 -2.632 4.623 6.786 303 HG1 THR 40 1HG THR 40 -3.169 7.160 5.425 304 1HG2 THR 40 1HG2 THR 40 -4.675 5.794 7.422 305 2HG2 THR 40 2HG2 THR 40 -3.444 6.206 8.639 306 3HG2 THR 40 3HG2 THR 40 -3.851 7.371 7.355 307 H ARG 41 H ARG 41 0.618 7.969 7.600 308 HA ARG 41 HA ARG 41 -0.647 10.071 6.031 309 1HB ARG 41 1HB ARG 41 -0.153 10.161 8.711 310 2HB ARG 41 2HB ARG 41 1.395 10.749 8.138 311 1HG ARG 41 1HG ARG 41 0.367 12.596 6.954 312 2HG ARG 41 2HG ARG 41 -1.238 11.917 7.144 313 1HD ARG 41 1HD ARG 41 -1.256 12.359 9.523 314 2HD ARG 41 2HD ARG 41 0.466 12.681 9.554 315 HE ARG 41 HE ARG 41 -0.604 14.539 7.734 316 1HH1 ARG 41 2HH2 ARG 41 -1.023 13.765 11.141 317 2HH1 ARG 41 1HH2 ARG 41 -1.450 15.383 11.588 318 1HH2 ARG 41 2HH1 ARG 41 -1.167 16.674 8.323 319 2HH2 ARG 41 1HH1 ARG 41 -1.533 17.048 9.975 320 H ALA 42 H ALA 42 2.148 8.040 6.523 321 HA ALA 42 HA ALA 42 4.303 9.416 5.759 322 1HB ALA 42 1HB ALA 42 5.157 7.348 4.864 323 2HB ALA 42 2HB ALA 42 4.071 6.935 6.213 324 3HB ALA 42 3HB ALA 42 3.515 6.747 4.533 325 H THR 43 H THR 43 4.408 11.071 4.310 326 HA THR 43 HA THR 43 3.617 10.447 1.563 327 HB THR 43 HB THR 43 2.647 12.878 1.553 328 HG1 THR 43 1HG THR 43 2.570 12.094 4.381 329 1HG2 THR 43 1HG2 THR 43 0.723 11.632 1.507 330 2HG2 THR 43 2HG2 THR 43 1.445 10.368 2.531 331 3HG2 THR 43 3HG2 THR 43 0.694 11.799 3.279 332 H ASN 44 H ASN 44 4.815 11.515 -0.047 333 HA ASN 44 HA ASN 44 6.843 13.329 0.869 334 1HB ASN 44 1HB ASN 44 7.368 10.504 0.095 335 2HB ASN 44 2HB ASN 44 8.343 11.654 -0.799 336 1HD2 ASN 44 1HD2 ASN 44 10.111 12.420 0.089 337 2HD2 ASN 44 2HD2 ASN 44 10.561 12.327 1.760 338 H TYR 45 H TYR 45 5.906 14.914 -0.545 339 HA TYR 45 HA TYR 45 5.449 14.163 -3.317 340 1HB TYR 45 1HB TYR 45 4.371 16.410 -3.324 341 2HB TYR 45 2HB TYR 45 3.849 15.554 -1.888 342 HD1 TYR 45 1HD TYR 45 5.998 18.274 -3.157 343 HD2 TYR 45 2HD TYR 45 4.494 16.296 0.326 344 HE1 TYR 45 1HE TYR 45 6.808 20.198 -1.706 345 HE2 TYR 45 2HE TYR 45 5.310 18.227 1.765 346 HH TYR 45 HH TYR 45 6.826 21.070 0.276 347 H ASN 46 H ASN 46 6.233 15.674 -5.065 348 HA ASN 46 HA ASN 46 8.480 17.280 -4.428 349 1HB ASN 46 1HB ASN 46 8.857 14.664 -5.974 350 2HB ASN 46 2HB ASN 46 10.032 15.964 -6.001 351 1HD2 ASN 46 1HD2 ASN 46 8.465 13.512 -4.083 352 2HD2 ASN 46 2HD2 ASN 46 9.568 13.493 -2.748 353 H ARG 47 H ARG 47 7.715 19.002 -5.696 354 HA ARG 47 HA ARG 47 6.320 18.482 -8.096 355 1HB ARG 47 1HB ARG 47 6.286 20.547 -6.330 356 2HB ARG 47 2HB ARG 47 7.412 21.226 -7.489 357 1HG ARG 47 1HG ARG 47 5.819 21.191 -9.258 358 2HG ARG 47 2HG ARG 47 4.809 20.004 -8.456 359 1HD ARG 47 1HD ARG 47 4.310 21.738 -6.656 360 2HD ARG 47 2HD ARG 47 5.195 22.914 -7.607 361 HE ARG 47 HE ARG 47 3.418 21.955 -9.455 362 1HH1 ARG 47 2HH2 ARG 47 2.984 23.094 -6.154 363 2HH1 ARG 47 1HH2 ARG 47 1.369 23.661 -6.425 364 1HH2 ARG 47 2HH1 ARG 47 1.288 22.702 -9.814 365 2HH2 ARG 47 1HH1 ARG 47 0.398 23.436 -8.521 366 H GLY 48 H GLY 48 9.650 19.234 -7.137 367 1HA GLY 48 1HA GLY 48 10.911 20.408 -9.134 368 2HA GLY 48 2HA GLY 48 11.536 18.945 -8.398 369 H ASP 49 H ASP 49 9.416 17.136 -9.344 370 HA ASP 49 HA ASP 49 9.756 17.346 -12.217 371 1HB ASP 49 1HB ASP 49 11.422 15.727 -10.907 372 2HB ASP 49 2HB ASP 49 10.033 14.662 -10.845 373 H GLN 50 H GLN 50 7.473 17.924 -10.471 374 HA GLN 50 HA GLN 50 5.443 17.246 -9.896 375 1HB GLN 50 1HB GLN 50 5.576 17.923 -12.470 376 2HB GLN 50 2HB GLN 50 5.125 16.250 -12.729 377 1HG GLN 50 1HG GLN 50 3.091 17.604 -12.632 378 2HG GLN 50 2HG GLN 50 3.139 16.562 -11.225 379 1HE2 GLN 50 1HE2 GLN 50 3.318 19.791 -12.441 380 2HE2 GLN 50 2HE2 GLN 50 3.296 20.643 -10.934 381 H SER 51 H SER 51 6.845 15.323 -8.764 382 HA SER 51 HA SER 51 5.318 12.959 -9.414 383 1HB SER 51 1HB SER 51 7.308 11.499 -9.312 384 2HB SER 51 2HB SER 51 7.448 12.653 -10.623 385 HG SER 51 HG SER 51 9.425 12.721 -9.589 386 H THR 52 H THR 52 4.243 12.596 -7.506 387 HA THR 52 HA THR 52 5.716 13.114 -5.012 388 HB THR 52 HB THR 52 2.833 13.329 -5.906 389 HG1 THR 52 1HG THR 52 3.255 15.283 -4.522 390 1HG2 THR 52 1HG2 THR 52 3.773 13.055 -3.003 391 2HG2 THR 52 2HG2 THR 52 2.134 13.500 -3.531 392 3HG2 THR 52 3HG2 THR 52 2.759 11.865 -3.854 393 H ASP 53 H ASP 53 5.148 11.638 -3.154 394 HA ASP 53 HA ASP 53 4.366 9.012 -4.008 395 1HB ASP 53 1HB ASP 53 7.145 9.774 -3.626 396 2HB ASP 53 2HB ASP 53 6.696 8.629 -2.378 397 H TYR 54 H TYR 54 2.873 8.479 -2.408 398 HA TYR 54 HA TYR 54 3.642 8.804 0.363 399 1HB TYR 54 1HB TYR 54 1.224 9.896 0.609 400 2HB TYR 54 2HB TYR 54 2.540 10.924 0.076 401 HD1 TYR 54 1HD TYR 54 1.511 12.526 -1.291 402 HD2 TYR 54 2HD TYR 54 0.618 8.386 -1.892 403 HE1 TYR 54 1HE TYR 54 0.203 13.106 -3.392 404 HE2 TYR 54 2HE TYR 54 -0.688 8.980 -3.991 405 HH TYR 54 HH TYR 54 -1.924 11.032 -4.819 406 H GLY 55 H GLY 55 1.605 8.003 1.771 407 1HA GLY 55 1HA GLY 55 -0.257 6.540 1.834 408 2HA GLY 55 2HA GLY 55 0.285 5.786 0.348 409 H ILE 56 H ILE 56 -0.351 4.388 2.820 410 HA ILE 56 HA ILE 56 1.737 3.803 4.461 411 HB ILE 56 HB ILE 56 -0.522 2.134 3.388 412 1HG1 ILE 56 1HG1 ILE 56 -0.531 4.197 5.157 413 2HG1 ILE 56 2HG1 ILE 56 -1.711 2.901 5.131 414 1HG2 ILE 56 1HG2 ILE 56 1.593 1.322 5.394 415 2HG2 ILE 56 2HG2 ILE 56 0.009 0.523 5.243 416 3HG2 ILE 56 3HG2 ILE 56 1.148 0.508 3.875 417 1HD1 ILE 56 1HD1 ILE 56 -0.497 1.651 6.836 418 2HD1 ILE 56 2HD1 ILE 56 0.868 2.791 6.758 419 3HD1 ILE 56 3HD1 ILE 56 -0.699 3.324 7.411 420 H PHE 57 H PHE 57 1.039 2.448 1.185 421 HA PHE 57 HA PHE 57 3.501 0.930 1.305 422 1HB PHE 57 1HB PHE 57 1.430 1.389 -0.926 423 2HB PHE 57 2HB PHE 57 2.632 0.114 -0.910 424 HD1 PHE 57 1HD PHE 57 2.505 -1.226 1.528 425 HD2 PHE 57 2HD PHE 57 -0.701 0.630 -0.543 426 HE1 PHE 57 1HE PHE 57 0.877 -2.749 2.683 427 HE2 PHE 57 2HE PHE 57 -2.329 -0.894 0.611 428 HZ PHE 57 HZ PHE 57 -1.520 -2.565 2.210 429 H GLN 58 H GLN 58 3.233 4.055 1.162 430 HA GLN 58 HA GLN 58 4.042 5.740 0.004 431 1HB GLN 58 1HB GLN 58 6.032 4.443 1.119 432 2HB GLN 58 2HB GLN 58 6.474 4.005 -0.519 433 1HG GLN 58 1HG GLN 58 7.376 6.053 -0.888 434 2HG GLN 58 2HG GLN 58 5.875 6.844 -0.446 435 1HE2 GLN 58 1HE2 GLN 58 6.484 8.438 0.839 436 2HE2 GLN 58 2HE2 GLN 58 7.406 8.290 2.298 437 H ILE 59 H ILE 59 2.376 5.325 -1.757 438 HA ILE 59 HA ILE 59 3.468 4.142 -4.165 439 HB ILE 59 HB ILE 59 0.789 4.966 -3.177 440 1HG1 ILE 59 1HG1 ILE 59 1.756 2.558 -4.747 441 2HG1 ILE 59 2HG1 ILE 59 1.653 2.638 -3.000 442 1HG2 ILE 59 1HG2 ILE 59 0.057 4.503 -5.672 443 2HG2 ILE 59 2HG2 ILE 59 0.495 6.137 -5.119 444 3HG2 ILE 59 3HG2 ILE 59 1.674 5.158 -6.024 445 1HD1 ILE 59 1HD1 ILE 59 -0.841 3.294 -3.342 446 2HD1 ILE 59 2HD1 ILE 59 -0.618 2.736 -5.018 447 3HD1 ILE 59 3HD1 ILE 59 -0.385 1.604 -3.664 448 H ASN 60 H ASN 60 3.870 5.271 -6.106 449 HA ASN 60 HA ASN 60 4.558 8.006 -5.636 450 1HB ASN 60 1HB ASN 60 5.895 6.189 -7.002 451 2HB ASN 60 2HB ASN 60 4.769 6.535 -8.299 452 1HD2 ASN 60 1HD2 ASN 60 7.731 7.052 -7.676 453 2HD2 ASN 60 2HD2 ASN 60 7.991 8.708 -8.112 454 H SER 61 H SER 61 3.537 9.811 -6.680 455 HA SER 61 HA SER 61 0.961 9.182 -7.812 456 1HB SER 61 1HB SER 61 0.577 10.904 -6.339 457 2HB SER 61 2HB SER 61 2.214 11.520 -6.461 458 HG SER 61 HG SER 61 0.522 12.932 -7.394 459 H ARG 62 H ARG 62 4.062 9.423 -8.954 460 HA ARG 62 HA ARG 62 3.456 11.084 -11.210 461 1HB ARG 62 1HB ARG 62 5.695 11.376 -10.507 462 2HB ARG 62 2HB ARG 62 5.916 9.674 -10.148 463 1HG ARG 62 1HG ARG 62 6.412 9.123 -12.345 464 2HG ARG 62 2HG ARG 62 5.334 10.333 -13.012 465 1HD ARG 62 1HD ARG 62 6.934 12.131 -12.478 466 2HD ARG 62 2HD ARG 62 7.979 11.005 -11.635 467 HE ARG 62 HE ARG 62 7.750 11.338 -14.535 468 1HH1 ARG 62 2HH2 ARG 62 8.690 9.131 -11.961 469 2HH1 ARG 62 1HH2 ARG 62 9.755 8.208 -12.967 470 1HH2 ARG 62 2HH1 ARG 62 9.155 10.121 -15.864 471 2HH2 ARG 62 1HH1 ARG 62 10.022 8.775 -15.202 472 H TYR 63 H TYR 63 3.666 7.662 -10.293 473 HA TYR 63 HA TYR 63 3.336 6.888 -13.107 474 1HB TYR 63 1HB TYR 63 4.769 5.938 -10.728 475 2HB TYR 63 2HB TYR 63 3.630 4.699 -11.214 476 HD1 TYR 63 1HD TYR 63 3.840 3.587 -13.414 477 HD2 TYR 63 2HD TYR 63 6.703 6.478 -12.093 478 HE1 TYR 63 1HE TYR 63 5.468 2.800 -15.200 479 HE2 TYR 63 2HE TYR 63 8.322 5.682 -13.884 480 HH TYR 63 HH TYR 63 7.846 2.790 -15.586 481 H TRP 64 H TRP 64 2.248 5.712 -9.837 482 HA TRP 64 HA TRP 64 -0.085 4.540 -10.925 483 1HB TRP 64 1HB TRP 64 0.709 5.183 -8.082 484 2HB TRP 64 2HB TRP 64 -0.715 4.267 -8.531 485 HD1 TRP 64 HD TRP 64 -0.254 1.760 -9.596 486 HE1 TRP 64 1HE TRP 64 1.736 0.038 -9.395 487 HE3 TRP 64 3HE TRP 64 3.165 5.111 -7.882 488 HZ2 TRP 64 2HZ TRP 64 4.456 0.267 -8.559 489 HZ3 TRP 64 3HZ TRP 64 5.464 4.280 -7.398 490 HH2 TRP 64 HH TRP 64 6.131 1.949 -7.710 491 H CYS 65 H CYS 65 -1.257 6.042 -8.213 492 HA CYS 65 HA CYS 65 -3.241 7.406 -9.275 493 1HB CYS 65 1HB CYS 65 -3.570 8.399 -7.256 494 2HB CYS 65 2HB CYS 65 -2.459 7.123 -6.798 495 H ASN 66 H ASN 66 -3.652 9.652 -9.939 496 HA ASN 66 HA ASN 66 -1.225 11.099 -10.623 497 1HB ASN 66 1HB ASN 66 -3.296 10.007 -12.444 498 2HB ASN 66 2HB ASN 66 -3.043 11.725 -12.679 499 1HD2 ASN 66 1HD2 ASN 66 -2.114 11.439 -14.678 500 2HD2 ASN 66 2HD2 ASN 66 -0.515 10.817 -14.915 501 H ASP 67 H ASP 67 -2.169 13.438 -11.600 502 HA ASP 67 HA ASP 67 -4.060 14.285 -9.558 503 1HB ASP 67 1HB ASP 67 -1.777 15.357 -9.600 504 2HB ASP 67 2HB ASP 67 -2.097 15.931 -11.224 505 H GLY 68 H GLY 68 -2.981 15.001 -12.972 506 1HA GLY 68 1HA GLY 68 -4.585 14.797 -14.758 507 2HA GLY 68 2HA GLY 68 -5.816 15.439 -13.689 508 H LYS 69 H LYS 69 -3.135 17.170 -12.806 509 HA LYS 69 HA LYS 69 -3.896 19.353 -14.583 510 1HB LYS 69 1HB LYS 69 -2.583 19.199 -11.875 511 2HB LYS 69 2HB LYS 69 -2.459 20.650 -12.849 512 1HG LYS 69 1HG LYS 69 -5.026 20.575 -13.074 513 2HG LYS 69 2HG LYS 69 -5.014 19.315 -11.856 514 1HD LYS 69 1HD LYS 69 -3.356 21.433 -10.859 515 2HD LYS 69 2HD LYS 69 -4.802 22.190 -11.496 516 1HE LYS 69 1HE LYS 69 -6.040 20.215 -10.179 517 2HE LYS 69 2HE LYS 69 -4.548 20.167 -9.262 518 1HZ LYS 69 1HZ LYS 69 -5.295 22.821 -9.548 519 2HZ LYS 69 2HZ LYS 69 -6.615 21.997 -9.053 520 3HZ LYS 69 3HZ LYS 69 -5.238 21.935 -8.178 521 H THR 70 H THR 70 -1.598 16.863 -14.330 522 HA THR 70 HA THR 70 0.211 18.373 -16.086 523 HB THR 70 HB THR 70 1.244 18.291 -13.851 524 HG1 THR 70 1HG THR 70 3.063 16.837 -14.574 525 1HG2 THR 70 1HG2 THR 70 1.552 16.292 -12.602 526 2HG2 THR 70 2HG2 THR 70 -0.112 16.106 -13.207 527 3HG2 THR 70 3HG2 THR 70 1.227 15.256 -14.013 528 HA PRO 71 HA PRO 71 -1.014 14.733 -18.285 529 1HB PRO 71 1HB PRO 71 -1.041 15.875 -20.767 530 2HB PRO 71 2HB PRO 71 -2.451 15.807 -19.728 531 1HG PRO 71 1HG PRO 71 -0.712 18.117 -20.341 532 2HG PRO 71 2HG PRO 71 -2.330 18.110 -19.670 533 1HD PRO 71 1HD PRO 71 0.118 18.545 -18.241 534 2HD PRO 71 2HD PRO 71 -1.489 18.422 -17.554 535 H ARG 72 H ARG 72 1.386 14.650 -17.239 536 HA ARG 72 HA ARG 72 2.992 14.162 -19.617 537 1HB ARG 72 1HB ARG 72 3.538 16.015 -17.526 538 2HB ARG 72 2HB ARG 72 4.607 14.661 -17.217 539 1HG ARG 72 1HG ARG 72 5.987 15.511 -18.807 540 2HG ARG 72 2HG ARG 72 4.802 15.009 -19.997 541 1HD ARG 72 1HD ARG 72 4.528 17.199 -20.538 542 2HD ARG 72 2HD ARG 72 3.760 17.431 -18.979 543 HE ARG 72 HE ARG 72 6.474 17.540 -18.390 544 1HH1 ARG 72 2HH2 ARG 72 4.367 19.255 -20.627 545 2HH1 ARG 72 1HH2 ARG 72 5.309 20.710 -20.598 546 1HH2 ARG 72 2HH1 ARG 72 7.716 19.458 -18.352 547 2HH2 ARG 72 1HH1 ARG 72 7.226 20.826 -19.295 548 H ALA 73 H ALA 73 2.394 13.402 -16.126 549 HA ALA 73 HA ALA 73 4.026 11.165 -15.953 550 1HB ALA 73 1HB ALA 73 1.961 12.508 -14.416 551 2HB ALA 73 2HB ALA 73 1.772 10.741 -14.302 552 3HB ALA 73 3HB ALA 73 3.317 11.503 -13.848 553 H VAL 74 H VAL 74 2.323 9.043 -15.116 554 HA VAL 74 HA VAL 74 0.585 8.464 -17.350 555 HB VAL 74 HB VAL 74 2.649 7.797 -18.311 556 1HG1 VAL 74 1HG1 VAL 74 4.369 7.489 -16.899 557 2HG1 VAL 74 2HG1 VAL 74 3.305 6.993 -15.562 558 3HG1 VAL 74 3HG1 VAL 74 3.801 5.805 -16.791 559 1HG2 VAL 74 1HG2 VAL 74 0.571 5.964 -17.732 560 2HG2 VAL 74 2HG2 VAL 74 1.725 5.923 -19.087 561 3HG2 VAL 74 3HG2 VAL 74 2.100 5.066 -17.572 562 H ASN 75 H ASN 75 -1.015 8.546 -15.655 563 HA ASN 75 HA ASN 75 -0.838 7.219 -13.287 564 1HB ASN 75 1HB ASN 75 -3.377 7.207 -13.363 565 2HB ASN 75 2HB ASN 75 -2.679 8.765 -13.757 566 1HD2 ASN 75 1HD2 ASN 75 -5.156 8.426 -14.527 567 2HD2 ASN 75 2HD2 ASN 75 -5.318 8.161 -16.231 568 H ALA 76 H ALA 76 -0.096 5.051 -13.286 569 HA ALA 76 HA ALA 76 -1.053 3.205 -15.269 570 1HB ALA 76 1HB ALA 76 1.252 3.468 -13.792 571 2HB ALA 76 2HB ALA 76 0.403 2.179 -12.906 572 3HB ALA 76 3HB ALA 76 0.755 1.985 -14.640 573 H CYS 77 H CYS 77 -1.984 4.334 -12.091 574 HA CYS 77 HA CYS 77 -3.497 1.931 -11.548 575 1HB CYS 77 1HB CYS 77 -2.191 3.481 -9.862 576 2HB CYS 77 2HB CYS 77 -3.673 4.414 -9.885 577 H GLY 78 H GLY 78 -3.830 5.289 -12.710 578 1HA GLY 78 1HA GLY 78 -5.534 6.343 -13.734 579 2HA GLY 78 2HA GLY 78 -6.330 4.793 -13.922 580 H ILE 79 H ILE 79 -5.424 6.945 -11.124 581 HA ILE 79 HA ILE 79 -8.224 7.142 -10.428 582 HB ILE 79 HB ILE 79 -8.206 6.025 -8.467 583 1HG1 ILE 79 1HG1 ILE 79 -5.434 7.010 -8.257 584 2HG1 ILE 79 2HG1 ILE 79 -6.691 6.895 -7.040 585 1HG2 ILE 79 1HG2 ILE 79 -6.037 4.552 -9.988 586 2HG2 ILE 79 2HG2 ILE 79 -7.049 3.877 -8.689 587 3HG2 ILE 79 3HG2 ILE 79 -7.793 4.383 -10.225 588 1HD1 ILE 79 1HD1 ILE 79 -4.842 5.353 -6.507 589 2HD1 ILE 79 2HD1 ILE 79 -6.317 4.429 -6.881 590 3HD1 ILE 79 3HD1 ILE 79 -5.020 4.565 -8.093 591 H ASN 80 H ASN 80 -8.529 8.762 -8.615 592 HA ASN 80 HA ASN 80 -6.942 10.993 -9.210 593 1HB ASN 80 1HB ASN 80 -9.327 10.354 -7.567 594 2HB ASN 80 2HB ASN 80 -8.330 11.595 -6.836 595 1HD2 ASN 80 1HD2 ASN 80 -10.265 12.884 -7.255 596 2HD2 ASN 80 2HD2 ASN 80 -10.450 13.680 -8.782 597 H CYS 81 H CYS 81 -5.120 11.782 -8.090 598 HA CYS 81 HA CYS 81 -3.819 10.115 -6.276 599 1HB CYS 81 1HB CYS 81 -3.386 12.798 -7.435 600 2HB CYS 81 2HB CYS 81 -2.622 12.525 -5.882 601 H SER 82 H SER 82 -6.006 12.946 -5.957 602 HA SER 82 HA SER 82 -5.590 13.609 -3.371 603 1HB SER 82 1HB SER 82 -7.414 14.287 -5.329 604 2HB SER 82 2HB SER 82 -8.456 13.491 -4.167 605 HG SER 82 HG SER 82 -8.241 15.792 -3.757 606 H ALA 83 H ALA 83 -7.054 10.691 -4.706 607 HA ALA 83 HA ALA 83 -8.574 9.914 -2.486 608 1HB ALA 83 1HB ALA 83 -7.203 7.917 -4.267 609 2HB ALA 83 2HB ALA 83 -8.880 7.947 -3.673 610 3HB ALA 83 3HB ALA 83 -8.382 9.039 -4.987 611 H LEU 84 H LEU 84 -5.111 9.934 -3.164 612 HA LEU 84 HA LEU 84 -4.598 8.118 -0.952 613 1HB LEU 84 1HB LEU 84 -2.598 9.507 -2.728 614 2HB LEU 84 2HB LEU 84 -2.337 8.118 -1.692 615 HG LEU 84 HG LEU 84 -3.587 8.278 -4.392 616 1HD1 LEU 84 1HD1 LEU 84 -2.347 5.774 -3.740 617 2HD1 LEU 84 2HD1 LEU 84 -1.839 7.017 -4.909 618 3HD1 LEU 84 3HD1 LEU 84 -1.294 7.111 -3.216 619 1HD2 LEU 84 1HD2 LEU 84 -4.566 5.929 -3.907 620 2HD2 LEU 84 2HD2 LEU 84 -4.551 6.451 -2.206 621 3HD2 LEU 84 3HD2 LEU 84 -5.484 7.371 -3.410 622 H LEU 85 H LEU 85 -5.630 11.178 -1.095 623 HA LEU 85 HA LEU 85 -3.820 12.028 1.059 624 1HB LEU 85 1HB LEU 85 -4.387 13.292 -1.424 625 2HB LEU 85 2HB LEU 85 -5.130 14.253 -0.163 626 HG LEU 85 HG LEU 85 -2.915 15.085 -0.630 627 1HD1 LEU 85 1HD1 LEU 85 -2.079 13.990 1.890 628 2HD1 LEU 85 2HD1 LEU 85 -2.697 15.616 1.510 629 3HD1 LEU 85 3HD1 LEU 85 -3.830 14.309 1.928 630 1HD2 LEU 85 1HD2 LEU 85 -1.134 13.829 -1.085 631 2HD2 LEU 85 2HD2 LEU 85 -1.339 12.858 0.392 632 3HD2 LEU 85 3HD2 LEU 85 -2.237 12.432 -1.086 633 H GLN 86 H GLN 86 -6.347 10.366 1.049 634 HA GLN 86 HA GLN 86 -8.113 12.246 2.382 635 1HB GLN 86 1HB GLN 86 -8.764 9.360 1.696 636 2HB GLN 86 2HB GLN 86 -9.883 10.668 2.025 637 1HG GLN 86 1HG GLN 86 -8.370 11.660 -0.117 638 2HG GLN 86 2HG GLN 86 -8.520 9.957 -0.500 639 1HE2 GLN 86 1HE2 GLN 86 -10.354 12.816 0.503 640 2HE2 GLN 86 2HE2 GLN 86 -11.844 12.421 -0.288 641 H ASP 87 H ASP 87 -9.513 10.324 4.014 642 HA ASP 87 HA ASP 87 -7.535 10.088 6.081 643 1HB ASP 87 1HB ASP 87 -9.961 9.045 7.044 644 2HB ASP 87 2HB ASP 87 -9.356 10.668 7.303 645 H ASP 88 H ASP 88 -10.190 8.021 4.655 646 HA ASP 88 HA ASP 88 -9.263 5.670 5.778 647 1HB ASP 88 1HB ASP 88 -10.950 6.212 3.293 648 2HB ASP 88 2HB ASP 88 -10.686 4.598 3.922 649 H ILE 89 H ILE 89 -8.423 3.725 4.426 650 HA ILE 89 HA ILE 89 -6.416 4.716 2.537 651 HB ILE 89 HB ILE 89 -5.252 2.598 3.029 652 1HG1 ILE 89 1HG1 ILE 89 -6.931 2.087 5.427 653 2HG1 ILE 89 2HG1 ILE 89 -7.621 1.624 3.885 654 1HG2 ILE 89 1HG2 ILE 89 -4.934 4.814 4.279 655 2HG2 ILE 89 2HG2 ILE 89 -5.819 4.039 5.615 656 3HG2 ILE 89 3HG2 ILE 89 -4.292 3.334 5.032 657 1HD1 ILE 89 1HD1 ILE 89 -5.697 0.225 3.353 658 2HD1 ILE 89 2HD1 ILE 89 -4.813 0.826 4.775 659 3HD1 ILE 89 3HD1 ILE 89 -6.255 -0.197 4.989 660 H THR 90 H THR 90 -9.499 3.749 2.389 661 HA THR 90 HA THR 90 -9.732 1.507 0.880 662 HB THR 90 HB THR 90 -11.555 3.063 1.736 663 HG1 THR 90 1HG THR 90 -12.827 2.328 -0.015 664 1HG2 THR 90 1HG2 THR 90 -12.248 4.941 0.366 665 2HG2 THR 90 2HG2 THR 90 -10.513 5.182 0.680 666 3HG2 THR 90 3HG2 THR 90 -11.053 4.543 -0.892 667 H ALA 91 H ALA 91 -8.406 4.658 -0.137 668 HA ALA 91 HA ALA 91 -8.394 3.978 -2.899 669 1HB ALA 91 1HB ALA 91 -7.689 6.127 -3.151 670 2HB ALA 91 2HB ALA 91 -8.155 6.281 -1.440 671 3HB ALA 91 3HB ALA 91 -6.457 5.980 -1.876 672 H ALA 92 H ALA 92 -6.079 3.749 -0.153 673 HA ALA 92 HA ALA 92 -3.866 3.002 -1.713 674 1HB ALA 92 1HB ALA 92 -2.822 2.993 0.301 675 2HB ALA 92 2HB ALA 92 -4.350 3.670 0.914 676 3HB ALA 92 3HB ALA 92 -4.039 1.922 1.036 677 H ILE 93 H ILE 93 -6.589 1.202 -0.221 678 HA ILE 93 HA ILE 93 -5.453 -1.348 -0.753 679 HB ILE 93 HB ILE 93 -8.332 -0.618 -0.219 680 1HG1 ILE 93 1HG1 ILE 93 -6.045 -1.079 1.713 681 2HG1 ILE 93 2HG1 ILE 93 -6.987 0.385 1.513 682 1HG2 ILE 93 1HG2 ILE 93 -6.951 -3.116 -0.670 683 2HG2 ILE 93 2HG2 ILE 93 -7.661 -3.070 0.961 684 3HG2 ILE 93 3HG2 ILE 93 -8.688 -2.794 -0.465 685 1HD1 ILE 93 1HD1 ILE 93 -8.514 -0.375 2.997 686 2HD1 ILE 93 2HD1 ILE 93 -8.827 -1.792 1.966 687 3HD1 ILE 93 3HD1 ILE 93 -7.552 -1.858 3.207 688 H GLN 94 H GLN 94 -7.959 0.722 -2.351 689 HA GLN 94 HA GLN 94 -8.610 -1.044 -4.333 690 1HB GLN 94 1HB GLN 94 -9.658 1.240 -3.707 691 2HB GLN 94 2HB GLN 94 -8.445 1.965 -4.744 692 1HG GLN 94 1HG GLN 94 -9.531 1.328 -6.646 693 2HG GLN 94 2HG GLN 94 -9.769 -0.308 -6.063 694 1HE2 GLN 94 1HE2 GLN 94 -11.851 -0.267 -6.973 695 2HE2 GLN 94 2HE2 GLN 94 -13.185 0.511 -6.190 696 H CYS 95 H CYS 95 -6.034 1.507 -4.283 697 HA CYS 95 HA CYS 95 -5.151 0.949 -6.892 698 1HB CYS 95 1HB CYS 95 -4.763 2.999 -5.261 699 2HB CYS 95 2HB CYS 95 -3.319 2.103 -4.832 700 H ALA 96 H ALA 96 -4.179 -0.102 -3.570 701 HA ALA 96 HA ALA 96 -1.899 -1.494 -4.183 702 1HB ALA 96 1HB ALA 96 -2.701 -2.945 -2.169 703 2HB ALA 96 2HB ALA 96 -2.421 -1.206 -1.908 704 3HB ALA 96 3HB ALA 96 -4.080 -1.820 -2.113 705 H LYS 97 H LYS 97 -5.339 -2.646 -4.238 706 HA LYS 97 HA LYS 97 -4.629 -5.225 -5.153 707 1HB LYS 97 1HB LYS 97 -7.010 -5.555 -5.410 708 2HB LYS 97 2HB LYS 97 -6.688 -4.734 -3.895 709 1HG LYS 97 1HG LYS 97 -7.521 -2.664 -4.677 710 2HG LYS 97 2HG LYS 97 -7.257 -3.073 -6.361 711 1HD LYS 97 1HD LYS 97 -9.049 -5.027 -5.725 712 2HD LYS 97 2HD LYS 97 -9.540 -3.815 -4.559 713 1HE LYS 97 1HE LYS 97 -10.540 -2.560 -6.170 714 2HE LYS 97 2HE LYS 97 -9.088 -2.553 -7.150 715 1HZ LYS 97 1HZ LYS 97 -9.817 -4.946 -7.677 716 2HZ LYS 97 2HZ LYS 97 -11.293 -4.448 -7.188 717 3HZ LYS 97 3HZ LYS 97 -10.553 -3.701 -8.438 718 H ARG 98 H ARG 98 -5.599 -2.145 -6.733 719 HA ARG 98 HA ARG 98 -5.867 -3.258 -9.264 720 1HB ARG 98 1HB ARG 98 -6.713 -0.981 -8.490 721 2HB ARG 98 2HB ARG 98 -5.065 -0.392 -8.551 722 1HG ARG 98 1HG ARG 98 -5.448 0.123 -10.731 723 2HG ARG 98 2HG ARG 98 -5.382 -1.596 -11.059 724 1HD ARG 98 1HD ARG 98 -7.934 -1.568 -10.328 725 2HD ARG 98 2HD ARG 98 -7.825 0.152 -10.642 726 HE ARG 98 HE ARG 98 -6.735 -1.474 -12.819 727 1HH1 ARG 98 2HH2 ARG 98 -9.663 -0.053 -11.479 728 2HH1 ARG 98 1HH2 ARG 98 -10.504 -0.047 -12.992 729 1HH2 ARG 98 2HH1 ARG 98 -7.846 -1.466 -14.815 730 2HH2 ARG 98 1HH1 ARG 98 -9.464 -0.856 -14.903 731 H VAL 99 H VAL 99 -3.096 -2.491 -7.288 732 HA VAL 99 HA VAL 99 -1.307 -2.210 -9.545 733 HB VAL 99 HB VAL 99 -0.993 -2.145 -6.547 734 1HG1 VAL 99 1HG1 VAL 99 1.007 -2.857 -8.471 735 2HG1 VAL 99 2HG1 VAL 99 1.390 -1.245 -7.822 736 3HG1 VAL 99 3HG1 VAL 99 1.178 -2.623 -6.715 737 1HG2 VAL 99 1HG2 VAL 99 -1.085 0.092 -6.724 738 2HG2 VAL 99 2HG2 VAL 99 -0.051 0.115 -8.173 739 3HG2 VAL 99 3HG2 VAL 99 -1.795 -0.202 -8.329 740 H VAL 100 H VAL 100 -1.783 -4.474 -6.741 741 HA VAL 100 HA VAL 100 0.097 -6.337 -7.591 742 HB VAL 100 HB VAL 100 -2.408 -6.602 -5.920 743 1HG1 VAL 100 1HG1 VAL 100 -1.757 -8.798 -6.802 744 2HG1 VAL 100 2HG1 VAL 100 -0.097 -8.553 -6.210 745 3HG1 VAL 100 3HG1 VAL 100 -1.443 -8.690 -5.053 746 1HG2 VAL 100 1HG2 VAL 100 -0.610 -6.687 -4.072 747 2HG2 VAL 100 2HG2 VAL 100 0.488 -6.011 -5.298 748 3HG2 VAL 100 3HG2 VAL 100 -0.970 -5.111 -4.816 749 H ARG 101 H ARG 101 -3.308 -5.768 -8.508 750 HA ARG 101 HA ARG 101 -3.650 -8.222 -9.774 751 1HB ARG 101 1HB ARG 101 -5.466 -6.555 -9.076 752 2HB ARG 101 2HB ARG 101 -5.022 -5.577 -10.460 753 1HG ARG 101 1HG ARG 101 -5.353 -7.873 -11.793 754 2HG ARG 101 2HG ARG 101 -6.333 -8.300 -10.404 755 1HD ARG 101 1HD ARG 101 -7.807 -6.392 -10.747 756 2HD ARG 101 2HD ARG 101 -6.732 -5.693 -11.939 757 HE ARG 101 HE ARG 101 -7.374 -8.256 -12.913 758 1HH1 ARG 101 2HH2 ARG 101 -9.114 -5.309 -12.095 759 2HH1 ARG 101 1HH2 ARG 101 -10.379 -5.584 -13.246 760 1HH2 ARG 101 2HH1 ARG 101 -9.043 -8.620 -14.432 761 2HH2 ARG 101 1HH1 ARG 101 -10.339 -7.480 -14.583 762 H ASP 102 H ASP 102 -1.757 -5.448 -10.560 763 HA ASP 102 HA ASP 102 -1.998 -5.736 -13.384 764 1HB ASP 102 1HB ASP 102 -0.963 -3.804 -11.538 765 2HB ASP 102 2HB ASP 102 0.387 -4.297 -12.537 766 HA PRO 103 HA PRO 103 1.579 -8.239 -13.936 767 1HB PRO 103 1HB PRO 103 3.178 -7.003 -15.776 768 2HB PRO 103 2HB PRO 103 1.727 -7.886 -16.207 769 1HG PRO 103 1HG PRO 103 2.157 -4.963 -16.106 770 2HG PRO 103 2HG PRO 103 0.891 -5.859 -16.923 771 1HD PRO 103 1HD PRO 103 0.653 -4.408 -14.460 772 2HD PRO 103 2HD PRO 103 -0.580 -5.399 -15.216 773 H GLN 104 H GLN 104 1.846 -5.552 -12.201 774 HA GLN 104 HA GLN 104 4.675 -5.523 -11.958 775 1HB GLN 104 1HB GLN 104 2.552 -4.252 -10.173 776 2HB GLN 104 2HB GLN 104 4.260 -3.859 -10.172 777 1HG GLN 104 1HG GLN 104 2.969 -3.706 -12.853 778 2HG GLN 104 2HG GLN 104 2.347 -2.556 -11.687 779 1HE2 GLN 104 1HE2 GLN 104 3.343 -1.135 -13.373 780 2HE2 GLN 104 2HE2 GLN 104 4.989 -0.641 -13.156 781 H GLY 105 H GLY 105 1.977 -6.312 -9.639 782 1HA GLY 105 1HA GLY 105 1.826 -7.976 -8.111 783 2HA GLY 105 2HA GLY 105 3.313 -8.674 -8.724 784 H ILE 106 H ILE 106 2.427 -8.242 -5.894 785 HA ILE 106 HA ILE 106 3.478 -6.127 -4.608 786 HB ILE 106 HB ILE 106 3.342 -9.041 -3.912 787 1HG1 ILE 106 1HG1 ILE 106 1.348 -7.344 -4.092 788 2HG1 ILE 106 2HG1 ILE 106 1.415 -8.514 -2.791 789 1HG2 ILE 106 1HG2 ILE 106 3.749 -7.853 -1.494 790 2HG2 ILE 106 2HG2 ILE 106 4.991 -8.728 -2.423 791 3HG2 ILE 106 3HG2 ILE 106 4.890 -6.953 -2.523 792 1HD1 ILE 106 1HD1 ILE 106 1.897 -6.919 -1.177 793 2HD1 ILE 106 2HD1 ILE 106 2.774 -5.875 -2.320 794 3HD1 ILE 106 3HD1 ILE 106 0.994 -5.901 -2.323 795 H ARG 107 H ARG 107 5.223 -8.656 -6.355 796 HA ARG 107 HA ARG 107 7.626 -8.698 -5.290 797 1HB ARG 107 1HB ARG 107 6.711 -9.594 -7.605 798 2HB ARG 107 2HB ARG 107 7.400 -8.126 -8.269 799 1HG ARG 107 1HG ARG 107 9.508 -8.995 -6.733 800 2HG ARG 107 2HG ARG 107 8.777 -10.532 -7.147 801 1HD ARG 107 1HD ARG 107 8.742 -9.633 -9.609 802 2HD ARG 107 2HD ARG 107 9.853 -8.404 -9.038 803 HE ARG 107 HE ARG 107 11.040 -10.689 -8.103 804 1HH1 ARG 107 2HH2 ARG 107 9.775 -9.824 -11.271 805 2HH1 ARG 107 1HH2 ARG 107 10.887 -10.835 -12.132 806 1HH2 ARG 107 2HH1 ARG 107 12.507 -12.023 -9.239 807 2HH2 ARG 107 1HH1 ARG 107 12.451 -12.094 -10.969 808 H ALA 108 H ALA 108 6.162 -5.946 -7.057 809 HA ALA 108 HA ALA 108 8.265 -4.375 -7.648 810 1HB ALA 108 1HB ALA 108 5.482 -3.852 -6.631 811 2HB ALA 108 2HB ALA 108 6.599 -2.481 -6.825 812 3HB ALA 108 3HB ALA 108 6.193 -3.502 -8.224 813 H TRP 109 H TRP 109 6.948 -5.123 -4.406 814 HA TRP 109 HA TRP 109 8.885 -3.295 -3.212 815 1HB TRP 109 1HB TRP 109 6.636 -4.886 -1.966 816 2HB TRP 109 2HB TRP 109 7.689 -3.769 -1.120 817 HD1 TRP 109 HD TRP 109 7.445 -1.074 -1.966 818 HE1 TRP 109 1HE TRP 109 5.351 0.322 -2.759 819 HE3 TRP 109 3HE TRP 109 4.549 -5.089 -3.127 820 HZ2 TRP 109 2HZ TRP 109 2.777 -0.393 -3.761 821 HZ3 TRP 109 3HZ TRP 109 2.259 -4.653 -4.007 822 HH2 TRP 109 HH TRP 109 1.362 -2.402 -4.330 823 H VAL 110 H VAL 110 10.528 -4.907 -4.291 824 HA VAL 110 HA VAL 110 10.880 -7.484 -3.655 825 HB VAL 110 HB VAL 110 12.313 -5.995 -5.063 826 1HG1 VAL 110 1HG1 VAL 110 13.765 -4.464 -4.228 827 2HG1 VAL 110 2HG1 VAL 110 12.631 -4.459 -2.856 828 3HG1 VAL 110 3HG1 VAL 110 14.121 -5.431 -2.776 829 1HG2 VAL 110 1HG2 VAL 110 12.913 -8.373 -3.801 830 2HG2 VAL 110 2HG2 VAL 110 13.855 -7.628 -5.115 831 3HG2 VAL 110 3HG2 VAL 110 14.328 -7.363 -3.420 832 H ALA 111 H ALA 111 11.089 -4.706 -1.465 833 HA ALA 111 HA ALA 111 12.595 -5.614 0.580 834 1HB ALA 111 1HB ALA 111 11.043 -3.482 0.207 835 2HB ALA 111 2HB ALA 111 9.914 -4.417 1.218 836 3HB ALA 111 3HB ALA 111 11.527 -3.994 1.842 837 H TRP 112 H TRP 112 9.104 -6.410 -0.019 838 HA TRP 112 HA TRP 112 8.749 -8.042 2.180 839 1HB TRP 112 1HB TRP 112 6.736 -7.791 1.288 840 2HB TRP 112 2HB TRP 112 7.379 -7.449 -0.306 841 HD1 TRP 112 HD TRP 112 5.750 -10.236 1.676 842 HE1 TRP 112 1HE TRP 112 5.360 -12.402 0.218 843 HE3 TRP 112 3HE TRP 112 8.560 -8.717 -2.280 844 HZ2 TRP 112 2HZ TRP 112 6.250 -13.218 -2.367 845 HZ3 TRP 112 3HZ TRP 112 8.748 -10.258 -4.231 846 HH2 TRP 112 HH TRP 112 7.649 -12.440 -4.315 847 H ARG 113 H ARG 113 10.131 -8.676 -1.087 848 HA ARG 113 HA ARG 113 10.277 -11.411 -0.844 849 1HB ARG 113 1HB ARG 113 10.707 -9.857 -2.903 850 2HB ARG 113 2HB ARG 113 12.349 -9.719 -2.308 851 1HG ARG 113 1HG ARG 113 12.272 -12.367 -2.234 852 2HG ARG 113 2HG ARG 113 10.911 -12.188 -3.324 853 1HD ARG 113 1HD ARG 113 12.245 -11.124 -5.009 854 2HD ARG 113 2HD ARG 113 13.536 -10.757 -3.883 855 HE ARG 113 HE ARG 113 14.343 -12.969 -4.081 856 1HH1 ARG 113 2HH2 ARG 113 11.211 -12.664 -5.655 857 2HH1 ARG 113 1HH2 ARG 113 11.314 -14.204 -6.443 858 1HH2 ARG 113 2HH1 ARG 113 14.479 -15.000 -5.119 859 2HH2 ARG 113 1HH1 ARG 113 13.185 -15.541 -6.135 860 H ALA 114 H ALA 114 11.930 -8.935 0.881 861 HA ALA 114 HA ALA 114 13.920 -10.895 1.787 862 1HB ALA 114 1HB ALA 114 14.365 -8.405 0.425 863 2HB ALA 114 2HB ALA 114 14.928 -8.237 2.105 864 3HB ALA 114 3HB ALA 114 15.567 -9.544 1.080 865 H HIS 115 H HIS 115 11.231 -10.368 2.811 866 HA HIS 115 HA HIS 115 12.026 -9.665 5.489 867 1HB HIS 115 1HB HIS 115 10.943 -7.668 3.899 868 2HB HIS 115 2HB HIS 115 9.548 -8.273 4.770 869 HD1 HIS 115 1HD HIS 115 13.167 -7.507 5.837 870 HD2 HIS 115 2HD HIS 115 9.207 -6.761 7.003 871 HE1 HIS 115 1HE HIS 115 13.301 -6.106 7.965 872 HE2 HIS 115 2HE HIS 115 10.838 -5.634 8.604 873 H CYS 116 H CYS 116 9.394 -10.568 3.182 874 HA CYS 116 HA CYS 116 8.042 -11.991 5.298 875 1HB CYS 116 1HB CYS 116 7.301 -10.822 2.789 876 2HB CYS 116 2HB CYS 116 6.868 -12.520 2.766 877 H GLN 117 H GLN 117 9.514 -12.648 2.032 878 HA GLN 117 HA GLN 117 9.364 -15.438 2.417 879 1HB GLN 117 1HB GLN 117 10.118 -13.576 0.301 880 2HB GLN 117 2HB GLN 117 11.283 -14.881 0.400 881 1HG GLN 117 1HG GLN 117 8.459 -15.781 0.624 882 2HG GLN 117 2HG GLN 117 8.835 -15.018 -0.908 883 1HE2 GLN 117 1HE2 GLN 117 9.670 -17.590 1.326 884 2HE2 GLN 117 2HE2 GLN 117 10.486 -18.629 0.206 885 H ASN 118 H ASN 118 10.487 -14.858 4.721 886 HA ASN 118 HA ASN 118 13.194 -15.777 4.359 887 1HB ASN 118 1HB ASN 118 12.854 -13.094 4.777 888 2HB ASN 118 2HB ASN 118 12.822 -13.634 6.444 889 1HD2 ASN 118 1HD2 ASN 118 14.706 -13.084 3.636 890 2HD2 ASN 118 2HD2 ASN 118 16.263 -13.518 4.257 891 H ARG 119 H ARG 119 10.818 -14.508 6.826 892 HA ARG 119 HA ARG 119 11.168 -17.031 8.228 893 1HB ARG 119 1HB ARG 119 12.215 -14.761 9.238 894 2HB ARG 119 2HB ARG 119 10.570 -14.509 9.785 895 1HG ARG 119 1HG ARG 119 10.815 -16.032 11.451 896 2HG ARG 119 2HG ARG 119 11.350 -17.262 10.323 897 1HD ARG 119 1HD ARG 119 13.567 -15.549 10.476 898 2HD ARG 119 2HD ARG 119 12.952 -15.543 12.118 899 HE ARG 119 HE ARG 119 13.654 -17.759 12.351 900 1HH1 ARG 119 2HH2 ARG 119 13.389 -17.008 8.923 901 2HH1 ARG 119 1HH2 ARG 119 14.060 -18.520 8.410 902 1HH2 ARG 119 2HH1 ARG 119 14.538 -19.754 11.674 903 2HH2 ARG 119 1HH1 ARG 119 14.717 -20.093 9.984 904 H ASP 120 H ASP 120 9.245 -16.628 10.268 905 HA ASP 120 HA ASP 120 6.867 -16.728 8.665 906 1HB ASP 120 1HB ASP 120 7.447 -18.412 10.494 907 2HB ASP 120 2HB ASP 120 7.208 -17.137 11.673 908 H LEU 121 H LEU 121 6.093 -14.625 8.230 909 HA LEU 121 HA LEU 121 6.220 -12.647 10.353 910 1HB LEU 121 1HB LEU 121 6.886 -12.278 7.909 911 2HB LEU 121 2HB LEU 121 5.170 -12.271 7.557 912 HG LEU 121 HG LEU 121 6.339 -10.020 7.878 913 1HD1 LEU 121 1HD1 LEU 121 4.322 -9.105 8.252 914 2HD1 LEU 121 2HD1 LEU 121 3.751 -10.791 8.196 915 3HD1 LEU 121 3HD1 LEU 121 4.071 -10.011 9.764 916 1HD2 LEU 121 1HD2 LEU 121 7.536 -10.822 9.981 917 2HD2 LEU 121 2HD2 LEU 121 6.794 -9.206 10.038 918 3HD2 LEU 121 3HD2 LEU 121 5.986 -10.583 10.823 919 H SER 122 H SER 122 4.342 -15.208 9.965 920 HA SER 122 HA SER 122 1.784 -14.000 9.842 921 1HB SER 122 1HB SER 122 2.885 -16.653 9.777 922 2HB SER 122 2HB SER 122 1.704 -16.615 11.072 923 HG SER 122 HG SER 122 0.118 -15.819 9.570 924 H GLN 123 H GLN 123 4.195 -14.623 12.312 925 HA GLN 123 HA GLN 123 2.434 -14.765 14.489 926 1HB GLN 123 1HB GLN 123 4.822 -15.572 14.471 927 2HB GLN 123 2HB GLN 123 5.361 -13.905 14.448 928 1HG GLN 123 1HG GLN 123 5.308 -14.006 16.721 929 2HG GLN 123 2HG GLN 123 3.564 -13.897 16.574 930 1HE2 GLN 123 1HE2 GLN 123 3.905 -15.050 18.692 931 2HE2 GLN 123 2HE2 GLN 123 3.898 -16.782 18.676 932 H TYR 124 H TYR 124 3.323 -12.201 12.392 933 HA TYR 124 HA TYR 124 3.243 -10.094 14.324 934 1HB TYR 124 1HB TYR 124 4.083 -10.547 11.681 935 2HB TYR 124 2HB TYR 124 2.602 -9.646 11.418 936 HD1 TYR 124 1HD TYR 124 2.839 -7.361 11.153 937 HD2 TYR 124 2HD TYR 124 5.605 -9.434 13.675 938 HE1 TYR 124 1HE TYR 124 4.091 -5.189 11.578 939 HE2 TYR 124 2HE TYR 124 6.848 -7.256 14.091 940 HH TYR 124 HH TYR 124 6.585 -4.988 13.989 941 H ILE 125 H ILE 125 0.925 -11.773 12.184 942 HA ILE 125 HA ILE 125 -1.120 -9.813 12.844 943 HB ILE 125 HB ILE 125 -2.484 -11.109 11.237 944 1HG1 ILE 125 1HG1 ILE 125 -0.027 -12.600 10.375 945 2HG1 ILE 125 2HG1 ILE 125 -0.985 -13.235 11.697 946 1HG2 ILE 125 1HG2 ILE 125 0.152 -9.896 10.440 947 2HG2 ILE 125 2HG2 ILE 125 -0.975 -10.530 9.217 948 3HG2 ILE 125 3HG2 ILE 125 -1.492 -9.225 10.310 949 1HD1 ILE 125 1HD1 ILE 125 -2.201 -12.427 9.021 950 2HD1 ILE 125 2HD1 ILE 125 -1.646 -14.079 9.385 951 3HD1 ILE 125 3HD1 ILE 125 -2.976 -13.359 10.324 952 H ARG 126 H ARG 126 -0.107 -13.178 13.493 953 HA ARG 126 HA ARG 126 -2.446 -14.027 14.655 954 1HB ARG 126 1HB ARG 126 -0.629 -15.580 14.091 955 2HB ARG 126 2HB ARG 126 0.463 -14.789 15.211 956 1HG ARG 126 1HG ARG 126 -0.255 -16.136 16.883 957 2HG ARG 126 2HG ARG 126 -1.882 -15.507 16.707 958 1HD ARG 126 1HD ARG 126 -1.203 -17.427 14.568 959 2HD ARG 126 2HD ARG 126 -1.055 -18.140 16.162 960 HE ARG 126 HE ARG 126 -3.515 -16.605 15.897 961 1HH1 ARG 126 2HH2 ARG 126 -2.025 -19.709 15.170 962 2HH1 ARG 126 1HH2 ARG 126 -3.531 -20.563 15.114 963 1HH2 ARG 126 2HH1 ARG 126 -5.502 -17.731 15.823 964 2HH2 ARG 126 1HH1 ARG 126 -5.522 -19.430 15.487 965 H ASN 127 H ASN 127 -3.498 -13.016 16.343 966 HA ASN 127 HA ASN 127 -3.817 -12.425 18.439 967 1HB ASN 127 1HB ASN 127 -1.619 -13.772 18.965 968 2HB ASN 127 2HB ASN 127 -0.819 -12.213 18.965 969 1HD2 ASN 127 1HD2 ASN 127 -0.305 -12.431 21.139 970 2HD2 ASN 127 2HD2 ASN 127 -1.460 -12.198 22.409 971 H CYS 128 H CYS 128 -3.126 -10.751 15.983 972 HA CYS 128 HA CYS 128 -1.930 -8.396 17.178 973 1HB CYS 128 1HB CYS 128 -1.549 -9.446 14.758 974 2HB CYS 128 2HB CYS 128 -2.920 -8.426 14.367 975 H GLY 129 H GLY 129 -5.006 -9.751 15.951 976 1HA GLY 129 1HA GLY 129 -6.658 -8.150 17.483 977 2HA GLY 129 2HA GLY 129 -6.470 -7.312 15.956 978 H VAL 130 H VAL 130 -6.068 -9.800 14.352 979 HA VAL 130 HA VAL 130 -8.878 -10.492 14.146 980 HB VAL 130 HB VAL 130 -6.448 -10.741 12.404 981 1HG1 VAL 130 1HG1 VAL 130 -8.118 -11.875 10.751 982 2HG1 VAL 130 2HG1 VAL 130 -7.301 -12.864 11.985 983 3HG1 VAL 130 3HG1 VAL 130 -8.988 -12.350 12.230 984 1HG2 VAL 130 1HG2 VAL 130 -7.582 -9.320 10.941 985 2HG2 VAL 130 2HG2 VAL 130 -9.177 -9.721 11.623 986 3HG2 VAL 130 3HG2 VAL 130 -8.046 -8.697 12.542 Start of MODEL 14 1 H LYS 1 H LYS 1 -7.102 6.501 10.732 2 HA LYS 1 HA LYS 1 -6.117 7.545 8.461 3 1HB LYS 1 1HB LYS 1 -4.945 9.564 8.941 4 2HB LYS 1 2HB LYS 1 -6.611 9.797 9.427 5 1HG LYS 1 1HG LYS 1 -4.779 8.720 11.539 6 2HG LYS 1 2HG LYS 1 -4.474 10.371 11.036 7 1HD LYS 1 1HD LYS 1 -6.894 10.924 11.455 8 2HD LYS 1 2HD LYS 1 -7.158 9.283 12.011 9 1HE LYS 1 1HE LYS 1 -5.385 9.649 13.787 10 2HE LYS 1 2HE LYS 1 -5.259 11.319 13.271 11 1HZ LYS 1 1HZ LYS 1 -7.715 11.424 13.685 12 2HZ LYS 1 2HZ LYS 1 -7.583 9.989 14.453 13 3HZ LYS 1 3HZ LYS 1 -6.773 11.291 15.013 14 H VAL 2 H VAL 2 -5.648 6.677 11.861 15 HA VAL 2 HA VAL 2 -2.913 5.855 11.339 16 HB VAL 2 HB VAL 2 -4.678 6.091 13.757 17 1HG1 VAL 2 1HG1 VAL 2 -2.581 4.120 13.362 18 2HG1 VAL 2 2HG1 VAL 2 -2.164 5.249 14.673 19 3HG1 VAL 2 3HG1 VAL 2 -3.693 4.340 14.735 20 1HG2 VAL 2 1HG2 VAL 2 -2.489 7.331 14.496 21 2HG2 VAL 2 2HG2 VAL 2 -2.146 7.367 12.750 22 3HG2 VAL 2 3HG2 VAL 2 -3.628 8.124 13.381 23 H TYR 3 H TYR 3 -2.320 3.801 10.823 24 HA TYR 3 HA TYR 3 -4.281 1.680 11.331 25 1HB TYR 3 1HB TYR 3 -2.824 2.591 8.799 26 2HB TYR 3 2HB TYR 3 -3.245 0.898 8.963 27 HD1 TYR 3 1HD TYR 3 -5.482 0.134 8.606 28 HD2 TYR 3 2HD TYR 3 -4.655 4.328 8.772 29 HE1 TYR 3 1HE TYR 3 -7.815 0.635 7.730 30 HE2 TYR 3 2HE TYR 3 -6.990 4.816 7.895 31 HH TYR 3 HH TYR 3 -9.263 2.161 7.245 32 H GLU 4 H GLU 4 -3.328 0.194 12.624 33 HA GLU 4 HA GLU 4 -0.443 -0.088 12.349 34 1HB GLU 4 1HB GLU 4 -0.381 -0.819 14.635 35 2HB GLU 4 2HB GLU 4 -1.414 0.595 14.598 36 1HG GLU 4 1HG GLU 4 -3.062 -1.722 14.084 37 2HG GLU 4 2HG GLU 4 -2.069 -2.068 15.485 38 H ARG 5 H ARG 5 0.326 -2.452 12.969 39 HA ARG 5 HA ARG 5 -0.278 -4.126 11.038 40 1HB ARG 5 1HB ARG 5 0.155 -5.984 12.982 41 2HB ARG 5 2HB ARG 5 1.439 -4.989 12.324 42 1HG ARG 5 1HG ARG 5 -0.048 -3.639 14.497 43 2HG ARG 5 2HG ARG 5 0.698 -5.137 15.020 44 1HD ARG 5 1HD ARG 5 2.898 -4.365 14.106 45 2HD ARG 5 2HD ARG 5 2.154 -2.871 13.570 46 HE ARG 5 HE ARG 5 2.260 -2.074 15.762 47 1HH1 ARG 5 2HH2 ARG 5 2.503 -5.584 15.820 48 2HH1 ARG 5 1HH2 ARG 5 2.819 -5.662 17.522 49 1HH2 ARG 5 2HH1 ARG 5 2.675 -2.175 18.008 50 2HH2 ARG 5 1HH1 ARG 5 2.917 -3.710 18.774 51 H CYS 6 H CYS 6 -1.689 -4.616 14.367 52 HA CYS 6 HA CYS 6 -3.510 -6.500 13.768 53 1HB CYS 6 1HB CYS 6 -3.105 -4.580 15.876 54 2HB CYS 6 2HB CYS 6 -4.821 -4.746 15.558 55 H GLU 7 H GLU 7 -4.497 -3.018 14.152 56 HA GLU 7 HA GLU 7 -6.883 -3.059 13.083 57 1HB GLU 7 1HB GLU 7 -4.703 -1.066 13.155 58 2HB GLU 7 2HB GLU 7 -5.856 -0.764 11.871 59 1HG GLU 7 1HG GLU 7 -7.504 -1.423 14.037 60 2HG GLU 7 2HG GLU 7 -6.204 -0.529 14.798 61 H PHE 8 H PHE 8 -3.999 -2.349 10.969 62 HA PHE 8 HA PHE 8 -5.164 -2.399 8.562 63 1HB PHE 8 1HB PHE 8 -2.631 -2.332 9.512 64 2HB PHE 8 2HB PHE 8 -2.639 -4.032 9.082 65 HD1 PHE 8 1HD PHE 8 -2.257 -0.687 7.880 66 HD2 PHE 8 2HD PHE 8 -3.162 -4.651 6.665 67 HE1 PHE 8 1HE PHE 8 -1.692 -0.090 5.508 68 HE2 PHE 8 2HE PHE 8 -2.597 -4.053 4.294 69 HZ PHE 8 HZ PHE 8 -1.869 -1.779 3.744 70 H ALA 9 H ALA 9 -4.032 -5.331 10.380 71 HA ALA 9 HA ALA 9 -4.738 -7.178 8.424 72 1HB ALA 9 1HB ALA 9 -4.787 -7.604 11.434 73 2HB ALA 9 2HB ALA 9 -4.442 -8.804 10.165 74 3HB ALA 9 3HB ALA 9 -3.283 -7.492 10.489 75 H ARG 10 H ARG 10 -6.560 -6.116 11.388 76 HA ARG 10 HA ARG 10 -8.768 -7.603 11.003 77 1HB ARG 10 1HB ARG 10 -8.368 -6.161 12.990 78 2HB ARG 10 2HB ARG 10 -8.601 -4.721 12.020 79 1HG ARG 10 1HG ARG 10 -10.956 -5.623 11.468 80 2HG ARG 10 2HG ARG 10 -10.687 -6.837 12.703 81 1HD ARG 10 1HD ARG 10 -11.293 -5.349 14.305 82 2HD ARG 10 2HD ARG 10 -9.952 -4.314 13.859 83 HE ARG 10 HE ARG 10 -12.757 -4.033 12.979 84 1HH1 ARG 10 2HH2 ARG 10 -9.414 -3.030 12.528 85 2HH1 ARG 10 1HH2 ARG 10 -9.831 -1.561 11.712 86 1HH2 ARG 10 2HH1 ARG 10 -13.308 -2.094 11.903 87 2HH2 ARG 10 1HH1 ARG 10 -12.061 -1.024 11.355 88 H THR 11 H THR 11 -8.246 -4.185 9.846 89 HA THR 11 HA THR 11 -10.613 -3.882 8.471 90 HB THR 11 HB THR 11 -7.788 -2.793 8.036 91 HG1 THR 11 1HG THR 11 -9.049 -0.960 9.076 92 1HG2 THR 11 1HG2 THR 11 -10.216 -1.283 7.126 93 2HG2 THR 11 2HG2 THR 11 -8.573 -1.294 6.444 94 3HG2 THR 11 3HG2 THR 11 -9.698 -2.624 6.077 95 H LEU 12 H LEU 12 -7.465 -5.122 7.167 96 HA LEU 12 HA LEU 12 -8.279 -5.556 4.601 97 1HB LEU 12 1HB LEU 12 -6.100 -6.243 6.265 98 2HB LEU 12 2HB LEU 12 -6.615 -7.724 5.482 99 HG LEU 12 HG LEU 12 -6.576 -6.192 3.309 100 1HD1 LEU 12 1HD1 LEU 12 -4.988 -4.670 5.328 101 2HD1 LEU 12 2HD1 LEU 12 -4.373 -4.761 3.660 102 3HD1 LEU 12 3HD1 LEU 12 -5.990 -4.090 3.976 103 1HD2 LEU 12 1HD2 LEU 12 -4.603 -7.901 4.652 104 2HD2 LEU 12 2HD2 LEU 12 -5.189 -7.912 2.971 105 3HD2 LEU 12 3HD2 LEU 12 -3.900 -6.784 3.457 106 H LYS 13 H LYS 13 -8.431 -7.945 7.339 107 HA LYS 13 HA LYS 13 -9.855 -9.841 5.844 108 1HB LYS 13 1HB LYS 13 -8.590 -9.749 8.299 109 2HB LYS 13 2HB LYS 13 -10.276 -9.889 8.752 110 1HG LYS 13 1HG LYS 13 -9.073 -11.683 6.609 111 2HG LYS 13 2HG LYS 13 -8.933 -12.086 8.309 112 1HD LYS 13 1HD LYS 13 -11.235 -12.457 8.563 113 2HD LYS 13 2HD LYS 13 -11.668 -11.362 7.267 114 1HE LYS 13 1HE LYS 13 -10.055 -13.746 6.445 115 2HE LYS 13 2HE LYS 13 -11.674 -14.094 7.019 116 1HZ LYS 13 1HZ LYS 13 -10.852 -12.657 4.666 117 2HZ LYS 13 2HZ LYS 13 -12.154 -13.612 4.902 118 3HZ LYS 13 3HZ LYS 13 -12.169 -12.066 5.428 119 H ARG 14 H ARG 14 -10.776 -6.848 7.413 120 HA ARG 14 HA ARG 14 -13.498 -7.600 7.674 121 1HB ARG 14 1HB ARG 14 -12.348 -5.879 9.134 122 2HB ARG 14 2HB ARG 14 -12.221 -4.819 7.744 123 1HG ARG 14 1HG ARG 14 -14.196 -4.030 8.718 124 2HG ARG 14 2HG ARG 14 -14.836 -5.169 7.551 125 1HD ARG 14 1HD ARG 14 -15.506 -6.682 9.177 126 2HD ARG 14 2HD ARG 14 -14.147 -6.328 10.225 127 HE ARG 14 HE ARG 14 -15.699 -3.987 10.218 128 1HH1 ARG 14 2HH2 ARG 14 -16.176 -7.359 11.104 129 2HH1 ARG 14 1HH2 ARG 14 -17.359 -7.006 12.318 130 1HH2 ARG 14 2HH1 ARG 14 -17.260 -3.520 11.822 131 2HH2 ARG 14 1HH1 ARG 14 -17.980 -4.808 12.729 132 H ASN 15 H ASN 15 -11.398 -6.239 5.198 133 HA ASN 15 HA ASN 15 -13.603 -5.142 3.729 134 1HB ASN 15 1HB ASN 15 -10.939 -4.479 3.865 135 2HB ASN 15 2HB ASN 15 -10.911 -5.496 2.439 136 1HD2 ASN 15 1HD2 ASN 15 -11.741 -4.806 0.557 137 2HD2 ASN 15 2HD2 ASN 15 -12.443 -3.247 0.283 138 H GLY 16 H GLY 16 -11.203 -7.850 3.597 139 1HA GLY 16 1HA GLY 16 -12.044 -9.994 2.834 140 2HA GLY 16 2HA GLY 16 -12.893 -9.156 1.550 141 H MET 17 H MET 17 -9.542 -8.541 2.762 142 HA MET 17 HA MET 17 -8.617 -9.369 0.120 143 1HB MET 17 1HB MET 17 -8.445 -6.927 0.339 144 2HB MET 17 2HB MET 17 -7.732 -7.063 1.933 145 1HG MET 17 1HG MET 17 -5.900 -6.613 0.441 146 2HG MET 17 2HG MET 17 -5.772 -8.314 0.841 147 1HE MET 17 1HE MET 17 -5.594 -6.087 -2.491 148 2HE MET 17 2HE MET 17 -7.298 -6.349 -2.936 149 3HE MET 17 3HE MET 17 -6.889 -5.646 -1.352 150 H ALA 18 H ALA 18 -7.995 -9.181 3.646 151 HA ALA 18 HA ALA 18 -5.482 -10.124 3.870 152 1HB ALA 18 1HB ALA 18 -8.018 -10.482 5.437 153 2HB ALA 18 2HB ALA 18 -6.597 -11.449 5.902 154 3HB ALA 18 3HB ALA 18 -6.500 -9.672 5.894 155 H GLY 19 H GLY 19 -4.554 -11.648 2.569 156 1HA GLY 19 1HA GLY 19 -4.079 -13.913 2.242 157 2HA GLY 19 2HA GLY 19 -5.732 -14.334 2.642 158 H TYR 20 H TYR 20 -4.881 -11.634 0.450 159 HA TYR 20 HA TYR 20 -6.635 -12.207 -1.516 160 1HB TYR 20 1HB TYR 20 -4.815 -10.307 -1.079 161 2HB TYR 20 2HB TYR 20 -3.736 -11.326 -2.012 162 HD1 TYR 20 1HD TYR 20 -7.366 -10.551 -2.540 163 HD2 TYR 20 2HD TYR 20 -3.370 -10.209 -4.029 164 HE1 TYR 20 1HE TYR 20 -8.248 -9.522 -4.692 165 HE2 TYR 20 2HE TYR 20 -4.265 -9.182 -6.175 166 HH TYR 20 HH TYR 20 -6.417 -7.833 -6.762 167 H TYR 21 H TYR 21 -5.930 -12.781 -3.924 168 HA TYR 21 HA TYR 21 -5.743 -15.398 -4.254 169 1HB TYR 21 1HB TYR 21 -5.062 -12.922 -5.703 170 2HB TYR 21 2HB TYR 21 -3.958 -14.194 -6.189 171 HD1 TYR 21 1HD TYR 21 -7.603 -13.437 -5.838 172 HD2 TYR 21 2HD TYR 21 -4.608 -15.781 -7.797 173 HE1 TYR 21 1HE TYR 21 -9.356 -14.360 -7.430 174 HE2 TYR 21 2HE TYR 21 -6.372 -16.696 -9.384 175 HH TYR 21 HH TYR 21 -9.762 -16.064 -8.865 176 H GLY 22 H GLY 22 -3.018 -13.264 -3.378 177 1HA GLY 22 1HA GLY 22 -1.425 -15.638 -2.778 178 2HA GLY 22 2HA GLY 22 -0.770 -14.515 -3.953 179 H VAL 23 H VAL 23 -1.694 -12.025 -2.896 180 HA VAL 23 HA VAL 23 0.266 -11.606 -0.912 181 HB VAL 23 HB VAL 23 -2.023 -9.824 -1.764 182 1HG1 VAL 23 1HG1 VAL 23 -0.440 -7.997 -1.132 183 2HG1 VAL 23 2HG1 VAL 23 -0.956 -9.006 0.242 184 3HG1 VAL 23 3HG1 VAL 23 0.659 -9.233 -0.471 185 1HG2 VAL 23 1HG2 VAL 23 -0.749 -10.628 -3.714 186 2HG2 VAL 23 2HG2 VAL 23 -0.498 -8.888 -3.431 187 3HG2 VAL 23 3HG2 VAL 23 0.760 -10.057 -2.959 188 H SER 24 H SER 24 0.137 -12.208 1.183 189 HA SER 24 HA SER 24 -2.488 -12.644 2.280 190 1HB SER 24 1HB SER 24 0.269 -13.562 2.846 191 2HB SER 24 2HB SER 24 -0.651 -13.208 4.296 192 HG SER 24 HG SER 24 -1.129 -15.175 2.280 193 H LEU 25 H LEU 25 -3.057 -11.749 4.466 194 HA LEU 25 HA LEU 25 -2.759 -9.007 4.563 195 1HB LEU 25 1HB LEU 25 -3.720 -9.191 6.813 196 2HB LEU 25 2HB LEU 25 -4.599 -10.100 5.600 197 HG LEU 25 HG LEU 25 -2.570 -11.689 7.023 198 1HD1 LEU 25 1HD1 LEU 25 -4.997 -10.897 8.627 199 2HD1 LEU 25 2HD1 LEU 25 -3.536 -11.766 9.153 200 3HD1 LEU 25 3HD1 LEU 25 -3.450 -10.030 8.769 201 1HD2 LEU 25 1HD2 LEU 25 -4.772 -12.196 5.473 202 2HD2 LEU 25 2HD2 LEU 25 -3.959 -13.374 6.530 203 3HD2 LEU 25 3HD2 LEU 25 -5.393 -12.497 7.114 204 H ALA 26 H ALA 26 -0.804 -11.634 6.010 205 HA ALA 26 HA ALA 26 0.667 -10.118 7.794 206 1HB ALA 26 1HB ALA 26 0.650 -12.754 6.710 207 2HB ALA 26 2HB ALA 26 2.310 -12.132 6.548 208 3HB ALA 26 3HB ALA 26 1.522 -12.164 8.144 209 H ASP 27 H ASP 27 1.385 -10.939 4.326 210 HA ASP 27 HA ASP 27 3.707 -9.440 4.238 211 1HB ASP 27 1HB ASP 27 1.985 -9.679 1.781 212 2HB ASP 27 2HB ASP 27 3.711 -9.929 1.946 213 H TRP 28 H TRP 28 0.236 -8.695 3.732 214 HA TRP 28 HA TRP 28 0.463 -6.259 2.432 215 1HB TRP 28 1HB TRP 28 -1.593 -7.540 4.186 216 2HB TRP 28 2HB TRP 28 -1.770 -5.848 3.767 217 HD1 TRP 28 HD TRP 28 -3.134 -8.901 2.583 218 HE1 TRP 28 1HE TRP 28 -3.763 -8.972 0.022 219 HE3 TRP 28 3HE TRP 28 -0.344 -4.865 1.248 220 HZ2 TRP 28 2HZ TRP 28 -3.039 -7.368 -2.225 221 HZ3 TRP 28 3HZ TRP 28 -0.360 -4.185 -1.150 222 HH2 TRP 28 HH TRP 28 -1.646 -5.364 -2.861 223 H VAL 29 H VAL 29 0.227 -7.025 5.982 224 HA VAL 29 HA VAL 29 0.538 -4.386 6.832 225 HB VAL 29 HB VAL 29 1.153 -7.027 8.168 226 1HG1 VAL 29 1HG1 VAL 29 1.024 -5.801 10.298 227 2HG1 VAL 29 2HG1 VAL 29 2.364 -5.214 9.286 228 3HG1 VAL 29 3HG1 VAL 29 0.860 -4.268 9.408 229 1HG2 VAL 29 1HG2 VAL 29 -1.216 -5.382 8.907 230 2HG2 VAL 29 2HG2 VAL 29 -1.263 -6.190 7.321 231 3HG2 VAL 29 3HG2 VAL 29 -1.029 -7.149 8.803 232 H CYS 30 H CYS 30 2.957 -7.088 6.572 233 HA CYS 30 HA CYS 30 5.146 -5.700 7.398 234 1HB CYS 30 1HB CYS 30 6.340 -7.479 6.715 235 2HB CYS 30 2HB CYS 30 4.747 -8.194 6.568 236 H LEU 31 H LEU 31 3.638 -5.901 4.111 237 HA LEU 31 HA LEU 31 5.562 -4.368 2.794 238 1HB LEU 31 1HB LEU 31 4.191 -5.641 1.446 239 2HB LEU 31 2HB LEU 31 2.726 -5.160 2.279 240 HG LEU 31 HG LEU 31 2.926 -2.892 1.277 241 1HD1 LEU 31 1HD1 LEU 31 5.029 -3.972 -0.584 242 2HD1 LEU 31 2HD1 LEU 31 4.543 -2.288 -0.278 243 3HD1 LEU 31 3HD1 LEU 31 5.475 -3.181 0.946 244 1HD2 LEU 31 1HD2 LEU 31 2.056 -5.275 0.094 245 2HD2 LEU 31 2HD2 LEU 31 1.593 -3.613 -0.346 246 3HD2 LEU 31 3HD2 LEU 31 2.943 -4.412 -1.186 247 H ALA 32 H ALA 32 2.273 -3.380 3.999 248 HA ALA 32 HA ALA 32 2.582 -0.685 3.515 249 1HB ALA 32 1HB ALA 32 0.821 -0.475 5.339 250 2HB ALA 32 2HB ALA 32 0.432 -1.622 4.034 251 3HB ALA 32 3HB ALA 32 1.004 -2.225 5.608 252 H GLN 33 H GLN 33 3.961 -2.752 6.032 253 HA GLN 33 HA GLN 33 4.537 -0.669 7.819 254 1HB GLN 33 1HB GLN 33 4.453 -3.238 8.227 255 2HB GLN 33 2HB GLN 33 6.088 -3.272 7.599 256 1HG GLN 33 1HG GLN 33 6.387 -3.044 9.945 257 2HG GLN 33 2HG GLN 33 6.633 -1.421 9.333 258 1HE2 GLN 33 1HE2 GLN 33 5.220 0.191 9.792 259 2HE2 GLN 33 2HE2 GLN 33 3.899 0.056 10.905 260 H HIS 34 H HIS 34 6.563 -2.488 5.409 261 HA HIS 34 HA HIS 34 8.890 -1.075 5.828 262 1HB HIS 34 1HB HIS 34 8.424 -3.214 4.468 263 2HB HIS 34 2HB HIS 34 8.030 -2.142 3.138 264 HD1 HIS 34 1HD HIS 34 10.763 -4.043 4.304 265 HD2 HIS 34 2HD HIS 34 10.395 -0.118 2.871 266 HE1 HIS 34 1HE HIS 34 13.095 -3.336 3.548 267 HE2 HIS 34 2HE HIS 34 12.795 -0.937 2.626 268 H GLU 35 H GLU 35 5.897 -0.158 4.215 269 HA GLU 35 HA GLU 35 7.132 1.963 2.767 270 1HB GLU 35 1HB GLU 35 4.198 1.309 3.289 271 2HB GLU 35 2HB GLU 35 4.752 2.566 2.202 272 1HG GLU 35 1HG GLU 35 5.293 -0.427 1.948 273 2HG GLU 35 2HG GLU 35 4.270 0.542 0.907 274 H SER 36 H SER 36 4.577 1.871 5.367 275 HA SER 36 HA SER 36 5.941 3.813 6.874 276 1HB SER 36 1HB SER 36 4.360 4.868 4.790 277 2HB SER 36 2HB SER 36 3.352 5.030 6.215 278 HG SER 36 HG SER 36 4.641 6.566 6.986 279 H ASN 37 H ASN 37 2.459 3.016 6.137 280 HA ASN 37 HA ASN 37 0.859 2.209 7.356 281 1HB ASN 37 1HB ASN 37 2.848 0.396 7.691 282 2HB ASN 37 2HB ASN 37 2.720 0.919 9.359 283 1HD2 ASN 37 1HD2 ASN 37 1.998 -1.145 9.932 284 2HD2 ASN 37 2HD2 ASN 37 0.371 -1.671 9.659 285 H TYR 38 H TYR 38 0.636 1.652 10.199 286 HA TYR 38 HA TYR 38 0.299 2.647 12.151 287 1HB TYR 38 1HB TYR 38 2.669 4.297 11.082 288 2HB TYR 38 2HB TYR 38 2.070 4.482 12.718 289 HD1 TYR 38 1HD TYR 38 1.672 1.875 13.784 290 HD2 TYR 38 2HD TYR 38 4.685 3.163 11.032 291 HE1 TYR 38 1HE TYR 38 3.189 -0.018 14.546 292 HE2 TYR 38 2HE TYR 38 6.190 1.266 11.803 293 HH TYR 38 HH TYR 38 6.501 -0.145 13.648 294 H ASN 39 H ASN 39 1.306 5.352 9.932 295 HA ASN 39 HA ASN 39 -1.321 6.493 10.433 296 1HB ASN 39 1HB ASN 39 0.385 8.709 10.089 297 2HB ASN 39 2HB ASN 39 -0.324 8.188 11.604 298 1HD2 ASN 39 1HD2 ASN 39 1.091 8.107 13.158 299 2HD2 ASN 39 2HD2 ASN 39 2.733 7.562 13.066 300 H THR 40 H THR 40 -2.293 7.119 8.479 301 HA THR 40 HA THR 40 -0.910 6.637 6.040 302 HB THR 40 HB THR 40 -3.112 7.415 5.089 303 HG1 THR 40 1HG THR 40 -3.902 8.959 6.502 304 1HG2 THR 40 1HG2 THR 40 -3.817 5.304 5.617 305 2HG2 THR 40 2HG2 THR 40 -2.796 5.278 7.074 306 3HG2 THR 40 3HG2 THR 40 -4.433 5.973 7.147 307 H ARG 41 H ARG 41 0.871 8.248 7.068 308 HA ARG 41 HA ARG 41 0.212 10.874 6.009 309 1HB ARG 41 1HB ARG 41 0.991 10.591 8.463 310 2HB ARG 41 2HB ARG 41 2.567 10.171 7.823 311 1HG ARG 41 1HG ARG 41 3.047 12.334 7.203 312 2HG ARG 41 2HG ARG 41 1.414 12.652 6.654 313 1HD ARG 41 1HD ARG 41 1.235 13.934 8.542 314 2HD ARG 41 2HD ARG 41 1.004 12.412 9.378 315 HE ARG 41 HE ARG 41 3.828 13.073 9.027 316 1HH1 ARG 41 2HH2 ARG 41 1.000 13.600 11.053 317 2HH1 ARG 41 1HH2 ARG 41 1.924 13.999 12.462 318 1HH2 ARG 41 2HH1 ARG 41 5.049 13.598 10.886 319 2HH2 ARG 41 1HH1 ARG 41 4.243 13.998 12.366 320 H ALA 42 H ALA 42 1.534 8.041 5.007 321 HA ALA 42 HA ALA 42 4.088 8.585 4.127 322 1HB ALA 42 1HB ALA 42 1.837 6.840 3.087 323 2HB ALA 42 2HB ALA 42 3.441 6.867 2.314 324 3HB ALA 42 3HB ALA 42 3.279 6.359 4.013 325 H THR 43 H THR 43 4.515 10.601 3.249 326 HA THR 43 HA THR 43 3.435 11.041 0.593 327 HB THR 43 HB THR 43 2.947 13.502 1.383 328 HG1 THR 43 1HG THR 43 2.453 13.464 3.716 329 1HG2 THR 43 1HG2 THR 43 1.251 11.344 1.097 330 2HG2 THR 43 2HG2 THR 43 1.015 11.729 2.819 331 3HG2 THR 43 3HG2 THR 43 0.703 12.968 1.580 332 H ASN 44 H ASN 44 5.049 11.561 -0.739 333 HA ASN 44 HA ASN 44 7.154 13.220 0.301 334 1HB ASN 44 1HB ASN 44 7.490 10.400 0.143 335 2HB ASN 44 2HB ASN 44 8.307 11.019 -1.278 336 1HD2 ASN 44 1HD2 ASN 44 8.281 10.759 2.148 337 2HD2 ASN 44 2HD2 ASN 44 9.792 11.533 2.493 338 H TYR 45 H TYR 45 6.762 14.846 -1.259 339 HA TYR 45 HA TYR 45 6.255 14.064 -4.004 340 1HB TYR 45 1HB TYR 45 5.781 16.496 -4.183 341 2HB TYR 45 2HB TYR 45 5.041 15.913 -2.704 342 HD1 TYR 45 1HD TYR 45 7.817 17.902 -4.105 343 HD2 TYR 45 2HD TYR 45 5.852 16.616 -0.528 344 HE1 TYR 45 1HE TYR 45 9.081 19.658 -2.770 345 HE2 TYR 45 2HE TYR 45 7.122 18.378 0.794 346 HH TYR 45 HH TYR 45 9.653 19.622 0.165 347 H ASN 46 H ASN 46 7.505 14.914 -5.815 348 HA ASN 46 HA ASN 46 10.011 16.115 -5.238 349 1HB ASN 46 1HB ASN 46 9.846 13.222 -6.209 350 2HB ASN 46 2HB ASN 46 11.264 14.208 -6.508 351 1HD2 ASN 46 1HD2 ASN 46 12.303 15.231 -4.647 352 2HD2 ASN 46 2HD2 ASN 46 12.354 14.395 -3.130 353 H ARG 47 H ARG 47 9.733 17.705 -6.834 354 HA ARG 47 HA ARG 47 8.385 17.080 -9.235 355 1HB ARG 47 1HB ARG 47 8.761 19.388 -7.830 356 2HB ARG 47 2HB ARG 47 10.039 19.584 -9.013 357 1HG ARG 47 1HG ARG 47 8.538 20.167 -10.608 358 2HG ARG 47 2HG ARG 47 7.668 18.660 -10.393 359 1HD ARG 47 1HD ARG 47 6.006 20.205 -9.813 360 2HD ARG 47 2HD ARG 47 6.677 19.849 -8.234 361 HE ARG 47 HE ARG 47 7.545 22.026 -8.127 362 1HH1 ARG 47 2HH2 ARG 47 6.628 21.297 -11.445 363 2HH1 ARG 47 1HH2 ARG 47 6.871 22.919 -12.003 364 1HH2 ARG 47 2HH1 ARG 47 7.867 24.165 -8.863 365 2HH2 ARG 47 1HH1 ARG 47 7.580 24.561 -10.525 366 H GLY 48 H GLY 48 11.752 17.298 -8.119 367 1HA GLY 48 1HA GLY 48 13.288 17.767 -10.248 368 2HA GLY 48 2HA GLY 48 13.623 16.475 -9.113 369 H ASP 49 H ASP 49 11.471 14.686 -9.655 370 HA ASP 49 HA ASP 49 12.052 14.029 -12.437 371 1HB ASP 49 1HB ASP 49 12.744 12.558 -10.179 372 2HB ASP 49 2HB ASP 49 11.223 11.815 -10.634 373 H GLN 50 H GLN 50 9.820 15.657 -11.302 374 HA GLN 50 HA GLN 50 7.626 15.703 -11.041 375 1HB GLN 50 1HB GLN 50 8.150 15.804 -13.547 376 2HB GLN 50 2HB GLN 50 7.655 14.127 -13.649 377 1HG GLN 50 1HG GLN 50 5.722 15.462 -14.216 378 2HG GLN 50 2HG GLN 50 5.422 14.786 -12.628 379 1HE2 GLN 50 1HE2 GLN 50 4.751 16.101 -11.119 380 2HE2 GLN 50 2HE2 GLN 50 4.947 17.820 -11.060 381 H SER 51 H SER 51 8.463 13.704 -9.362 382 HA SER 51 HA SER 51 6.330 11.765 -9.724 383 1HB SER 51 1HB SER 51 7.715 9.914 -9.145 384 2HB SER 51 2HB SER 51 8.628 10.812 -10.342 385 HG SER 51 HG SER 51 10.068 11.493 -8.826 386 H THR 52 H THR 52 5.472 10.912 -7.678 387 HA THR 52 HA THR 52 6.486 12.175 -5.253 388 HB THR 52 HB THR 52 3.744 12.609 -6.512 389 HG1 THR 52 1HG THR 52 5.256 14.283 -6.861 390 1HG2 THR 52 1HG2 THR 52 3.273 11.980 -4.170 391 2HG2 THR 52 2HG2 THR 52 4.607 13.012 -3.601 392 3HG2 THR 52 3HG2 THR 52 3.160 13.750 -4.328 393 H ASP 53 H ASP 53 6.436 10.852 -3.520 394 HA ASP 53 HA ASP 53 5.163 8.291 -4.005 395 1HB ASP 53 1HB ASP 53 7.596 9.218 -2.623 396 2HB ASP 53 2HB ASP 53 6.650 8.145 -1.610 397 H TYR 54 H TYR 54 3.011 8.532 -3.252 398 HA TYR 54 HA TYR 54 2.745 9.416 -0.460 399 1HB TYR 54 1HB TYR 54 1.361 10.131 -3.065 400 2HB TYR 54 2HB TYR 54 0.326 10.001 -1.656 401 HD1 TYR 54 1HD TYR 54 3.734 11.464 -2.296 402 HD2 TYR 54 2HD TYR 54 -0.217 12.066 -0.770 403 HE1 TYR 54 1HE TYR 54 4.349 13.836 -1.619 404 HE2 TYR 54 2HE TYR 54 0.412 14.436 -0.097 405 HH TYR 54 HH TYR 54 2.155 15.794 0.283 406 H GLY 55 H GLY 55 0.819 8.511 0.657 407 1HA GLY 55 1HA GLY 55 -0.941 6.951 0.747 408 2HA GLY 55 2HA GLY 55 -0.240 6.069 -0.596 409 H ILE 56 H ILE 56 -1.033 5.142 2.163 410 HA ILE 56 HA ILE 56 1.111 4.767 3.829 411 HB ILE 56 HB ILE 56 -1.362 4.233 4.135 412 1HG1 ILE 56 1HG1 ILE 56 0.491 2.092 5.183 413 2HG1 ILE 56 2HG1 ILE 56 0.631 3.759 5.707 414 1HG2 ILE 56 1HG2 ILE 56 -0.838 1.400 3.504 415 2HG2 ILE 56 2HG2 ILE 56 -2.309 2.379 3.294 416 3HG2 ILE 56 3HG2 ILE 56 -0.999 2.473 2.093 417 1HD1 ILE 56 1HD1 ILE 56 -1.269 3.654 6.975 418 2HD1 ILE 56 2HD1 ILE 56 -2.155 2.730 5.738 419 3HD1 ILE 56 3HD1 ILE 56 -1.048 1.891 6.852 420 H PHE 57 H PHE 57 0.295 3.176 0.751 421 HA PHE 57 HA PHE 57 2.423 1.245 1.143 422 1HB PHE 57 1HB PHE 57 0.255 1.863 -0.930 423 2HB PHE 57 2HB PHE 57 1.518 0.709 -1.307 424 HD1 PHE 57 1HD PHE 57 -1.721 0.765 -0.504 425 HD2 PHE 57 2HD PHE 57 1.877 -0.869 1.041 426 HE1 PHE 57 1HE PHE 57 -3.032 -1.045 0.637 427 HE2 PHE 57 2HE PHE 57 0.565 -2.680 2.183 428 HZ PHE 57 HZ PHE 57 -1.875 -2.746 1.967 429 H GLN 58 H GLN 58 2.809 4.302 0.791 430 HA GLN 58 HA GLN 58 3.943 5.717 -0.460 431 1HB GLN 58 1HB GLN 58 5.603 4.046 0.780 432 2HB GLN 58 2HB GLN 58 6.031 3.569 -0.852 433 1HG GLN 58 1HG GLN 58 7.497 5.324 -0.741 434 2HG GLN 58 2HG GLN 58 6.093 6.299 -1.126 435 1HE2 GLN 58 1HE2 GLN 58 5.740 7.952 0.129 436 2HE2 GLN 58 2HE2 GLN 58 6.190 8.130 1.792 437 H ILE 59 H ILE 59 2.189 5.367 -2.219 438 HA ILE 59 HA ILE 59 3.187 3.927 -4.531 439 HB ILE 59 HB ILE 59 0.587 5.061 -3.643 440 1HG1 ILE 59 1HG1 ILE 59 1.087 2.532 -5.202 441 2HG1 ILE 59 2HG1 ILE 59 1.447 2.610 -3.490 442 1HG2 ILE 59 1HG2 ILE 59 0.500 6.164 -5.663 443 2HG2 ILE 59 2HG2 ILE 59 1.505 4.955 -6.497 444 3HG2 ILE 59 3HG2 ILE 59 -0.188 4.580 -6.095 445 1HD1 ILE 59 1HD1 ILE 59 -0.763 1.931 -3.357 446 2HD1 ILE 59 2HD1 ILE 59 -1.026 3.691 -3.398 447 3HD1 ILE 59 3HD1 ILE 59 -1.208 2.729 -4.885 448 H ASN 60 H ASN 60 3.947 4.870 -6.411 449 HA ASN 60 HA ASN 60 4.798 7.563 -6.114 450 1HB ASN 60 1HB ASN 60 5.636 7.087 -8.564 451 2HB ASN 60 2HB ASN 60 6.378 6.199 -7.248 452 1HD2 ASN 60 1HD2 ASN 60 4.246 6.089 -9.980 453 2HD2 ASN 60 2HD2 ASN 60 4.069 4.371 -10.103 454 H SER 61 H SER 61 3.852 9.391 -7.109 455 HA SER 61 HA SER 61 1.354 8.897 -8.449 456 1HB SER 61 1HB SER 61 1.758 10.648 -6.579 457 2HB SER 61 2HB SER 61 2.580 11.604 -7.797 458 HG SER 61 HG SER 61 0.325 10.942 -8.986 459 H ARG 62 H ARG 62 4.271 8.533 -9.575 460 HA ARG 62 HA ARG 62 4.237 10.476 -11.680 461 1HB ARG 62 1HB ARG 62 6.295 9.275 -10.378 462 2HB ARG 62 2HB ARG 62 6.138 8.137 -11.700 463 1HG ARG 62 1HG ARG 62 5.986 10.640 -12.974 464 2HG ARG 62 2HG ARG 62 7.186 10.892 -11.722 465 1HD ARG 62 1HD ARG 62 8.658 9.948 -13.196 466 2HD ARG 62 2HD ARG 62 7.956 8.419 -12.703 467 HE ARG 62 HE ARG 62 6.758 8.308 -14.739 468 1HH1 ARG 62 2HH2 ARG 62 8.283 11.458 -14.382 469 2HH1 ARG 62 1HH2 ARG 62 7.988 11.930 -16.023 470 1HH2 ARG 62 2HH1 ARG 62 6.368 8.928 -16.903 471 2HH2 ARG 62 1HH1 ARG 62 6.891 10.480 -17.466 472 H TYR 63 H TYR 63 3.066 7.267 -11.019 473 HA TYR 63 HA TYR 63 2.410 6.953 -13.861 474 1HB TYR 63 1HB TYR 63 3.979 5.269 -11.940 475 2HB TYR 63 2HB TYR 63 2.700 4.373 -12.738 476 HD1 TYR 63 1HD TYR 63 5.421 6.804 -13.643 477 HD2 TYR 63 2HD TYR 63 3.239 3.283 -14.711 478 HE1 TYR 63 1HE TYR 63 6.902 6.498 -15.687 479 HE2 TYR 63 2HE TYR 63 4.727 2.989 -16.752 480 HH TYR 63 HH TYR 63 7.553 4.210 -17.110 481 H TRP 64 H TRP 64 1.805 5.866 -10.454 482 HA TRP 64 HA TRP 64 -0.907 5.138 -11.224 483 1HB TRP 64 1HB TRP 64 0.565 4.791 -8.605 484 2HB TRP 64 2HB TRP 64 -1.042 4.192 -8.968 485 HD1 TRP 64 HD TRP 64 -0.738 2.682 -11.647 486 HE1 TRP 64 1HE TRP 64 0.803 0.574 -12.025 487 HE3 TRP 64 3HE TRP 64 2.373 3.599 -7.730 488 HZ2 TRP 64 2HZ TRP 64 3.099 -0.451 -10.675 489 HZ3 TRP 64 3HZ TRP 64 4.239 1.995 -7.330 490 HH2 TRP 64 HH TRP 64 4.627 0.027 -8.727 491 H CYS 65 H CYS 65 -2.729 5.977 -9.833 492 HA CYS 65 HA CYS 65 -3.919 7.689 -9.137 493 1HB CYS 65 1HB CYS 65 -3.390 8.519 -7.093 494 2HB CYS 65 2HB CYS 65 -2.290 7.156 -7.156 495 H ASN 66 H ASN 66 -3.773 10.322 -8.798 496 HA ASN 66 HA ASN 66 -1.879 11.445 -10.640 497 1HB ASN 66 1HB ASN 66 -4.274 10.685 -11.723 498 2HB ASN 66 2HB ASN 66 -4.735 12.266 -11.123 499 1HD2 ASN 66 1HD2 ASN 66 -4.785 13.577 -12.787 500 2HD2 ASN 66 2HD2 ASN 66 -3.541 13.810 -13.971 501 H ASP 67 H ASP 67 -3.052 14.022 -10.881 502 HA ASP 67 HA ASP 67 -3.582 14.733 -8.105 503 1HB ASP 67 1HB ASP 67 -1.402 15.557 -8.340 504 2HB ASP 67 2HB ASP 67 -1.578 15.831 -10.062 505 H GLY 68 H GLY 68 -3.614 15.785 -11.590 506 1HA GLY 68 1HA GLY 68 -5.859 16.263 -12.485 507 2HA GLY 68 2HA GLY 68 -6.143 17.228 -11.050 508 H LYS 69 H LYS 69 -2.877 17.600 -11.722 509 HA LYS 69 HA LYS 69 -3.239 19.637 -13.757 510 1HB LYS 69 1HB LYS 69 -2.822 20.210 -10.886 511 2HB LYS 69 2HB LYS 69 -1.721 21.042 -11.968 512 1HG LYS 69 1HG LYS 69 -3.550 22.034 -13.217 513 2HG LYS 69 2HG LYS 69 -4.732 20.999 -12.442 514 1HD LYS 69 1HD LYS 69 -5.047 22.681 -10.946 515 2HD LYS 69 2HD LYS 69 -3.493 22.241 -10.265 516 1HE LYS 69 1HE LYS 69 -3.412 24.009 -12.686 517 2HE LYS 69 2HE LYS 69 -4.054 24.735 -11.226 518 1HZ LYS 69 1HZ LYS 69 -1.623 24.909 -11.498 519 2HZ LYS 69 2HZ LYS 69 -2.074 24.224 -10.086 520 3HZ LYS 69 3HZ LYS 69 -1.499 23.293 -11.298 521 H THR 70 H THR 70 -2.042 17.012 -13.789 522 HA THR 70 HA THR 70 0.736 17.832 -14.269 523 HB THR 70 HB THR 70 0.712 16.654 -12.108 524 HG1 THR 70 1HG THR 70 2.293 16.115 -13.895 525 1HG2 THR 70 1HG2 THR 70 -0.405 14.201 -13.517 526 2HG2 THR 70 2HG2 THR 70 -0.271 14.515 -11.770 527 3HG2 THR 70 3HG2 THR 70 -1.510 15.355 -12.733 528 HA PRO 71 HA PRO 71 -0.935 15.956 -17.954 529 1HB PRO 71 1HB PRO 71 0.070 17.779 -19.726 530 2HB PRO 71 2HB PRO 71 -1.534 17.901 -19.031 531 1HG PRO 71 1HG PRO 71 0.893 19.458 -18.376 532 2HG PRO 71 2HG PRO 71 -0.781 19.833 -18.020 533 1HD PRO 71 1HD PRO 71 1.180 18.823 -16.186 534 2HD PRO 71 2HD PRO 71 -0.522 19.089 -15.860 535 H ARG 72 H ARG 72 0.978 14.683 -16.655 536 HA ARG 72 HA ARG 72 2.698 14.065 -18.861 537 1HB ARG 72 1HB ARG 72 3.797 15.861 -17.262 538 2HB ARG 72 2HB ARG 72 3.999 14.522 -16.150 539 1HG ARG 72 1HG ARG 72 5.606 13.486 -17.456 540 2HG ARG 72 2HG ARG 72 4.863 13.986 -18.963 541 1HD ARG 72 1HD ARG 72 5.776 16.236 -18.768 542 2HD ARG 72 2HD ARG 72 6.284 15.957 -17.115 543 HE ARG 72 HE ARG 72 7.623 13.975 -18.494 544 1HH1 ARG 72 2HH2 ARG 72 7.370 17.460 -18.921 545 2HH1 ARG 72 1HH2 ARG 72 8.941 17.616 -19.631 546 1HH2 ARG 72 2HH1 ARG 72 9.698 14.181 -19.430 547 2HH2 ARG 72 1HH1 ARG 72 10.275 15.738 -19.922 548 H ALA 73 H ALA 73 1.952 13.517 -15.348 549 HA ALA 73 HA ALA 73 2.918 10.966 -15.095 550 1HB ALA 73 1HB ALA 73 2.139 11.444 -13.044 551 2HB ALA 73 2HB ALA 73 1.153 12.776 -13.693 552 3HB ALA 73 3HB ALA 73 0.489 11.125 -13.628 553 H VAL 74 H VAL 74 1.682 8.869 -14.985 554 HA VAL 74 HA VAL 74 -0.361 8.802 -17.096 555 HB VAL 74 HB VAL 74 1.677 7.890 -17.952 556 1HG1 VAL 74 1HG1 VAL 74 2.876 6.037 -16.888 557 2HG1 VAL 74 2HG1 VAL 74 2.818 7.456 -15.815 558 3HG1 VAL 74 3HG1 VAL 74 1.738 6.072 -15.519 559 1HG2 VAL 74 1HG2 VAL 74 0.510 6.283 -18.965 560 2HG2 VAL 74 2HG2 VAL 74 0.610 5.253 -17.516 561 3HG2 VAL 74 3HG2 VAL 74 -0.729 6.412 -17.694 562 H ASN 75 H ASN 75 -1.248 9.335 -14.585 563 HA ASN 75 HA ASN 75 -1.546 7.547 -12.707 564 1HB ASN 75 1HB ASN 75 -3.899 8.380 -12.379 565 2HB ASN 75 2HB ASN 75 -2.778 9.686 -12.710 566 1HD2 ASN 75 1HD2 ASN 75 -5.486 9.955 -13.069 567 2HD2 ASN 75 2HD2 ASN 75 -5.869 10.130 -14.748 568 H ALA 76 H ALA 76 -1.621 5.299 -13.112 569 HA ALA 76 HA ALA 76 -3.298 4.282 -15.220 570 1HB ALA 76 1HB ALA 76 -0.971 3.467 -13.803 571 2HB ALA 76 2HB ALA 76 -2.232 2.260 -13.453 572 3HB ALA 76 3HB ALA 76 -1.788 2.621 -15.139 573 H CYS 77 H CYS 77 -3.560 5.066 -11.835 574 HA CYS 77 HA CYS 77 -5.703 3.179 -11.412 575 1HB CYS 77 1HB CYS 77 -3.866 3.992 -9.718 576 2HB CYS 77 2HB CYS 77 -4.960 5.337 -9.470 577 H GLY 78 H GLY 78 -5.076 6.615 -12.140 578 1HA GLY 78 1HA GLY 78 -6.444 8.266 -12.816 579 2HA GLY 78 2HA GLY 78 -7.685 7.063 -13.108 580 H ILE 79 H ILE 79 -5.982 8.182 -10.091 581 HA ILE 79 HA ILE 79 -8.458 9.291 -9.111 582 HB ILE 79 HB ILE 79 -8.934 7.833 -7.464 583 1HG1 ILE 79 1HG1 ILE 79 -6.764 8.093 -6.326 584 2HG1 ILE 79 2HG1 ILE 79 -7.374 6.453 -6.241 585 1HG2 ILE 79 1HG2 ILE 79 -8.591 5.475 -8.209 586 2HG2 ILE 79 2HG2 ILE 79 -9.240 6.555 -9.467 587 3HG2 ILE 79 3HG2 ILE 79 -7.523 6.086 -9.495 588 1HD1 ILE 79 1HD1 ILE 79 -5.674 6.959 -8.619 589 2HD1 ILE 79 2HD1 ILE 79 -4.829 7.144 -7.064 590 3HD1 ILE 79 3HD1 ILE 79 -5.637 5.609 -7.461 591 H ASN 80 H ASN 80 -8.116 10.825 -7.446 592 HA ASN 80 HA ASN 80 -5.630 12.030 -7.527 593 1HB ASN 80 1HB ASN 80 -7.870 12.311 -5.454 594 2HB ASN 80 2HB ASN 80 -6.539 13.438 -5.631 595 1HD2 ASN 80 1HD2 ASN 80 -7.060 15.197 -6.657 596 2HD2 ASN 80 2HD2 ASN 80 -8.164 15.364 -7.980 597 H CYS 81 H CYS 81 -3.760 11.589 -6.333 598 HA CYS 81 HA CYS 81 -3.500 9.371 -4.771 599 1HB CYS 81 1HB CYS 81 -1.894 11.675 -5.465 600 2HB CYS 81 2HB CYS 81 -1.606 11.207 -3.802 601 H SER 82 H SER 82 -4.828 12.555 -4.031 602 HA SER 82 HA SER 82 -4.439 12.593 -1.305 603 1HB SER 82 1HB SER 82 -5.679 14.211 -3.196 604 2HB SER 82 2HB SER 82 -7.037 13.683 -2.224 605 HG SER 82 HG SER 82 -6.431 15.167 -0.815 606 H ALA 83 H ALA 83 -6.788 10.869 -3.359 607 HA ALA 83 HA ALA 83 -8.634 10.227 -1.347 608 1HB ALA 83 1HB ALA 83 -8.106 8.378 -3.651 609 2HB ALA 83 2HB ALA 83 -9.651 8.981 -3.003 610 3HB ALA 83 3HB ALA 83 -8.634 10.039 -4.010 611 H LEU 84 H LEU 84 -5.359 9.318 -1.807 612 HA LEU 84 HA LEU 84 -5.761 6.790 -0.393 613 1HB LEU 84 1HB LEU 84 -3.281 7.872 -1.733 614 2HB LEU 84 2HB LEU 84 -3.486 6.274 -1.045 615 HG LEU 84 HG LEU 84 -5.444 7.027 -3.145 616 1HD1 LEU 84 1HD1 LEU 84 -2.812 7.698 -3.652 617 2HD1 LEU 84 2HD1 LEU 84 -2.963 6.071 -4.359 618 3HD1 LEU 84 3HD1 LEU 84 -4.070 7.368 -4.868 619 1HD2 LEU 84 1HD2 LEU 84 -3.969 4.543 -3.474 620 2HD2 LEU 84 2HD2 LEU 84 -4.653 4.700 -1.839 621 3HD2 LEU 84 3HD2 LEU 84 -5.714 4.823 -3.263 622 H LEU 85 H LEU 85 -5.538 9.974 0.363 623 HA LEU 85 HA LEU 85 -3.830 9.426 2.691 624 1HB LEU 85 1HB LEU 85 -3.523 11.373 0.744 625 2HB LEU 85 2HB LEU 85 -4.301 12.233 2.058 626 HG LEU 85 HG LEU 85 -2.430 11.069 3.520 627 1HD1 LEU 85 1HD1 LEU 85 -0.807 11.359 1.020 628 2HD1 LEU 85 2HD1 LEU 85 -0.486 10.411 2.493 629 3HD1 LEU 85 3HD1 LEU 85 -1.693 9.843 1.314 630 1HD2 LEU 85 1HD2 LEU 85 -2.209 13.524 1.792 631 2HD2 LEU 85 2HD2 LEU 85 -2.538 13.394 3.536 632 3HD2 LEU 85 3HD2 LEU 85 -0.906 13.060 2.911 633 H GLN 86 H GLN 86 -6.808 8.928 2.092 634 HA GLN 86 HA GLN 86 -7.962 10.791 3.981 635 1HB GLN 86 1HB GLN 86 -9.410 8.588 2.465 636 2HB GLN 86 2HB GLN 86 -10.109 10.014 3.206 637 1HG GLN 86 1HG GLN 86 -8.196 11.088 1.460 638 2HG GLN 86 2HG GLN 86 -8.817 9.714 0.565 639 1HE2 GLN 86 1HE2 GLN 86 -10.759 9.795 -0.356 640 2HE2 GLN 86 2HE2 GLN 86 -11.890 11.100 -0.233 641 H ASP 87 H ASP 87 -10.055 9.054 4.974 642 HA ASP 87 HA ASP 87 -8.483 7.691 6.938 643 1HB ASP 87 1HB ASP 87 -10.289 8.814 7.929 644 2HB ASP 87 2HB ASP 87 -11.370 8.478 6.591 645 H ASP 88 H ASP 88 -11.154 6.979 4.568 646 HA ASP 88 HA ASP 88 -11.098 4.219 5.082 647 1HB ASP 88 1HB ASP 88 -12.232 5.914 2.818 648 2HB ASP 88 2HB ASP 88 -12.415 4.172 2.845 649 H ILE 89 H ILE 89 -9.512 2.798 4.344 650 HA ILE 89 HA ILE 89 -7.660 3.714 2.340 651 HB ILE 89 HB ILE 89 -6.425 1.716 2.878 652 1HG1 ILE 89 1HG1 ILE 89 -8.584 0.898 4.825 653 2HG1 ILE 89 2HG1 ILE 89 -8.567 0.313 3.172 654 1HG2 ILE 89 1HG2 ILE 89 -7.334 3.620 4.932 655 2HG2 ILE 89 2HG2 ILE 89 -6.606 2.127 5.569 656 3HG2 ILE 89 3HG2 ILE 89 -5.691 3.150 4.437 657 1HD1 ILE 89 1HD1 ILE 89 -6.713 -0.316 5.430 658 2HD1 ILE 89 2HD1 ILE 89 -7.262 -1.347 4.087 659 3HD1 ILE 89 3HD1 ILE 89 -5.963 -0.160 3.823 660 H THR 90 H THR 90 -10.740 2.624 2.130 661 HA THR 90 HA THR 90 -10.846 0.441 0.529 662 HB THR 90 HB THR 90 -12.753 1.872 1.420 663 HG1 THR 90 1HG THR 90 -12.698 1.500 -1.487 664 1HG2 THR 90 1HG2 THR 90 -11.803 4.078 0.459 665 2HG2 THR 90 2HG2 THR 90 -12.300 3.476 -1.141 666 3HG2 THR 90 3HG2 THR 90 -13.522 3.766 0.120 667 H ALA 91 H ALA 91 -9.848 3.755 -0.430 668 HA ALA 91 HA ALA 91 -9.664 3.068 -3.184 669 1HB ALA 91 1HB ALA 91 -8.015 5.314 -2.479 670 2HB ALA 91 2HB ALA 91 -9.591 5.307 -3.305 671 3HB ALA 91 3HB ALA 91 -9.517 5.395 -1.529 672 H ALA 92 H ALA 92 -7.456 3.109 -0.356 673 HA ALA 92 HA ALA 92 -5.080 2.757 -1.790 674 1HB ALA 92 1HB ALA 92 -5.478 3.415 0.672 675 2HB ALA 92 2HB ALA 92 -5.652 1.670 0.982 676 3HB ALA 92 3HB ALA 92 -4.122 2.311 0.333 677 H ILE 93 H ILE 93 -7.572 0.478 -0.557 678 HA ILE 93 HA ILE 93 -6.038 -1.824 -1.236 679 HB ILE 93 HB ILE 93 -8.995 -1.582 -0.677 680 1HG1 ILE 93 1HG1 ILE 93 -6.665 -1.879 1.237 681 2HG1 ILE 93 2HG1 ILE 93 -7.784 -0.535 1.137 682 1HG2 ILE 93 1HG2 ILE 93 -7.758 -3.735 -1.674 683 2HG2 ILE 93 2HG2 ILE 93 -7.402 -3.987 0.052 684 3HG2 ILE 93 3HG2 ILE 93 -9.089 -3.842 -0.497 685 1HD1 ILE 93 1HD1 ILE 93 -8.076 -2.730 2.806 686 2HD1 ILE 93 2HD1 ILE 93 -9.391 -1.630 2.332 687 3HD1 ILE 93 3HD1 ILE 93 -9.140 -3.151 1.442 688 H GLN 94 H GLN 94 -8.899 -0.126 -2.684 689 HA GLN 94 HA GLN 94 -9.192 -1.812 -4.819 690 1HB GLN 94 1HB GLN 94 -10.673 0.158 -3.998 691 2HB GLN 94 2HB GLN 94 -9.651 1.188 -4.981 692 1HG GLN 94 1HG GLN 94 -10.149 -0.485 -6.926 693 2HG GLN 94 2HG GLN 94 -11.431 -1.102 -5.903 694 1HE2 GLN 94 1HE2 GLN 94 -13.250 0.071 -5.527 695 2HE2 GLN 94 2HE2 GLN 94 -13.653 1.545 -6.344 696 H CYS 95 H CYS 95 -7.064 1.071 -4.405 697 HA CYS 95 HA CYS 95 -6.150 1.007 -7.083 698 1HB CYS 95 1HB CYS 95 -6.154 2.931 -5.300 699 2HB CYS 95 2HB CYS 95 -4.600 2.263 -4.845 700 H ALA 96 H ALA 96 -4.998 -0.204 -3.878 701 HA ALA 96 HA ALA 96 -2.497 -1.079 -4.615 702 1HB ALA 96 1HB ALA 96 -4.542 -2.066 -2.603 703 2HB ALA 96 2HB ALA 96 -2.919 -2.786 -2.733 704 3HB ALA 96 3HB ALA 96 -3.100 -1.065 -2.317 705 H LYS 97 H LYS 97 -5.724 -2.608 -5.055 706 HA LYS 97 HA LYS 97 -4.573 -5.007 -6.114 707 1HB LYS 97 1HB LYS 97 -6.890 -5.673 -6.480 708 2HB LYS 97 2HB LYS 97 -6.660 -5.064 -4.854 709 1HG LYS 97 1HG LYS 97 -7.673 -2.926 -5.415 710 2HG LYS 97 2HG LYS 97 -7.657 -3.294 -7.128 711 1HD LYS 97 1HD LYS 97 -9.170 -5.071 -5.183 712 2HD LYS 97 2HD LYS 97 -9.898 -3.597 -5.790 713 1HE LYS 97 1HE LYS 97 -9.907 -4.369 -8.040 714 2HE LYS 97 2HE LYS 97 -8.673 -5.575 -7.737 715 1HZ LYS 97 1HZ LYS 97 -10.712 -6.683 -7.843 716 2HZ LYS 97 2HZ LYS 97 -10.334 -6.658 -6.255 717 3HZ LYS 97 3HZ LYS 97 -11.464 -5.635 -6.841 718 H ARG 98 H ARG 98 -6.172 -2.037 -7.394 719 HA ARG 98 HA ARG 98 -6.276 -2.859 -10.009 720 1HB ARG 98 1HB ARG 98 -7.383 -0.807 -9.034 721 2HB ARG 98 2HB ARG 98 -5.819 -0.021 -8.955 722 1HG ARG 98 1HG ARG 98 -6.254 0.736 -11.058 723 2HG ARG 98 2HG ARG 98 -5.894 -0.892 -11.599 724 1HD ARG 98 1HD ARG 98 -8.357 -1.476 -11.212 725 2HD ARG 98 2HD ARG 98 -8.651 0.223 -10.899 726 HE ARG 98 HE ARG 98 -8.452 0.665 -13.194 727 1HH1 ARG 98 2HH2 ARG 98 -7.139 -2.527 -12.504 728 2HH1 ARG 98 1HH2 ARG 98 -6.945 -2.948 -14.172 729 1HH2 ARG 98 2HH1 ARG 98 -8.195 0.109 -15.396 730 2HH2 ARG 98 1HH1 ARG 98 -7.549 -1.439 -15.828 731 H VAL 99 H VAL 99 -3.584 -1.769 -8.004 732 HA VAL 99 HA VAL 99 -1.900 -1.261 -10.313 733 HB VAL 99 HB VAL 99 -1.556 -1.008 -7.328 734 1HG1 VAL 99 1HG1 VAL 99 0.523 -0.574 -9.497 735 2HG1 VAL 99 2HG1 VAL 99 0.685 -0.035 -7.809 736 3HG1 VAL 99 3HG1 VAL 99 0.577 -1.772 -8.182 737 1HG2 VAL 99 1HG2 VAL 99 -2.138 0.828 -9.588 738 2HG2 VAL 99 2HG2 VAL 99 -2.622 0.919 -7.878 739 3HG2 VAL 99 3HG2 VAL 99 -0.986 1.422 -8.368 740 H VAL 100 H VAL 100 -1.925 -3.418 -7.385 741 HA VAL 100 HA VAL 100 0.213 -4.983 -8.105 742 HB VAL 100 HB VAL 100 -2.254 -5.374 -6.458 743 1HG1 VAL 100 1HG1 VAL 100 -2.185 -7.593 -6.898 744 2HG1 VAL 100 2HG1 VAL 100 -0.519 -7.527 -7.523 745 3HG1 VAL 100 3HG1 VAL 100 -0.810 -7.571 -5.767 746 1HG2 VAL 100 1HG2 VAL 100 0.692 -5.493 -5.740 747 2HG2 VAL 100 2HG2 VAL 100 -0.312 -4.026 -5.648 748 3HG2 VAL 100 3HG2 VAL 100 -0.690 -5.430 -4.620 749 H ARG 101 H ARG 101 -3.075 -4.869 -9.401 750 HA ARG 101 HA ARG 101 -3.420 -7.307 -10.415 751 1HB ARG 101 1HB ARG 101 -4.663 -4.903 -10.746 752 2HB ARG 101 2HB ARG 101 -3.916 -5.035 -12.325 753 1HG ARG 101 1HG ARG 101 -5.296 -6.746 -12.983 754 2HG ARG 101 2HG ARG 101 -5.210 -7.549 -11.428 755 1HD ARG 101 1HD ARG 101 -6.865 -6.011 -10.468 756 2HD ARG 101 2HD ARG 101 -6.844 -5.013 -11.908 757 HE ARG 101 HE ARG 101 -8.353 -7.448 -11.543 758 1HH1 ARG 101 2HH2 ARG 101 -6.590 -5.627 -13.984 759 2HH1 ARG 101 1HH2 ARG 101 -7.501 -6.275 -15.308 760 1HH2 ARG 101 2HH1 ARG 101 -9.555 -8.302 -13.288 761 2HH2 ARG 101 1HH1 ARG 101 -9.198 -7.807 -14.909 762 H ASP 102 H ASP 102 -0.923 -4.994 -11.265 763 HA ASP 102 HA ASP 102 -0.411 -5.879 -13.851 764 1HB ASP 102 1HB ASP 102 0.709 -4.039 -11.937 765 2HB ASP 102 2HB ASP 102 2.024 -5.038 -12.527 766 HA PRO 103 HA PRO 103 2.171 -9.355 -13.088 767 1HB PRO 103 1HB PRO 103 4.439 -9.011 -14.572 768 2HB PRO 103 2HB PRO 103 2.913 -9.523 -15.261 769 1HG PRO 103 1HG PRO 103 4.223 -6.878 -15.418 770 2HG PRO 103 2HG PRO 103 2.945 -7.531 -16.423 771 1HD PRO 103 1HD PRO 103 2.656 -5.606 -14.318 772 2HD PRO 103 2HD PRO 103 1.367 -6.345 -15.246 773 H GLN 104 H GLN 104 3.684 -6.333 -12.417 774 HA GLN 104 HA GLN 104 5.675 -7.647 -10.817 775 1HB GLN 104 1HB GLN 104 5.118 -4.672 -11.189 776 2HB GLN 104 2HB GLN 104 6.540 -5.362 -10.435 777 1HG GLN 104 1HG GLN 104 5.990 -6.463 -13.135 778 2HG GLN 104 2HG GLN 104 6.292 -4.737 -13.137 779 1HE2 GLN 104 1HE2 GLN 104 8.285 -3.960 -12.832 780 2HE2 GLN 104 2HE2 GLN 104 9.706 -4.910 -12.544 781 H GLY 105 H GLY 105 3.198 -5.035 -10.242 782 1HA GLY 105 1HA GLY 105 2.119 -4.427 -8.358 783 2HA GLY 105 2HA GLY 105 1.829 -6.145 -8.172 784 H ILE 106 H ILE 106 2.503 -7.039 -6.276 785 HA ILE 106 HA ILE 106 3.707 -5.697 -4.270 786 HB ILE 106 HB ILE 106 3.570 -8.598 -4.993 787 1HG1 ILE 106 1HG1 ILE 106 1.519 -7.629 -4.241 788 2HG1 ILE 106 2HG1 ILE 106 2.138 -8.645 -2.954 789 1HG2 ILE 106 1HG2 ILE 106 5.669 -8.531 -3.878 790 2HG2 ILE 106 2HG2 ILE 106 5.052 -7.417 -2.635 791 3HG2 ILE 106 3HG2 ILE 106 4.467 -9.098 -2.694 792 1HD1 ILE 106 1HD1 ILE 106 3.265 -6.440 -2.063 793 2HD1 ILE 106 2HD1 ILE 106 2.089 -5.621 -3.118 794 3HD1 ILE 106 3HD1 ILE 106 1.520 -6.680 -1.806 795 H ARG 107 H ARG 107 5.301 -7.496 -6.952 796 HA ARG 107 HA ARG 107 7.826 -7.535 -6.083 797 1HB ARG 107 1HB ARG 107 6.663 -8.136 -8.432 798 2HB ARG 107 2HB ARG 107 7.338 -6.594 -8.918 799 1HG ARG 107 1HG ARG 107 9.541 -7.331 -8.743 800 2HG ARG 107 2HG ARG 107 9.181 -8.454 -7.447 801 1HD ARG 107 1HD ARG 107 7.901 -9.059 -10.092 802 2HD ARG 107 2HD ARG 107 9.643 -9.236 -10.027 803 HE ARG 107 HE ARG 107 7.655 -10.863 -8.583 804 1HH1 ARG 107 2HH2 ARG 107 11.039 -9.933 -8.846 805 2HH1 ARG 107 1HH2 ARG 107 11.623 -11.339 -8.021 806 1HH2 ARG 107 2HH1 ARG 107 8.425 -12.719 -7.495 807 2HH2 ARG 107 1HH1 ARG 107 10.126 -12.935 -7.247 808 H ALA 108 H ALA 108 5.927 -4.723 -7.164 809 HA ALA 108 HA ALA 108 7.937 -2.924 -7.721 810 1HB ALA 108 1HB ALA 108 6.246 -1.231 -7.294 811 2HB ALA 108 2HB ALA 108 5.467 -2.633 -8.067 812 3HB ALA 108 3HB ALA 108 5.293 -2.372 -6.315 813 H TRP 109 H TRP 109 6.707 -4.163 -4.605 814 HA TRP 109 HA TRP 109 8.455 -2.292 -3.195 815 1HB TRP 109 1HB TRP 109 6.276 -4.145 -2.221 816 2HB TRP 109 2HB TRP 109 7.290 -3.173 -1.173 817 HD1 TRP 109 HD TRP 109 7.117 -0.335 -1.863 818 HE1 TRP 109 1HE TRP 109 4.972 1.127 -2.339 819 HE3 TRP 109 3HE TRP 109 4.068 -4.238 -3.016 820 HZ2 TRP 109 2HZ TRP 109 2.302 0.501 -3.127 821 HZ3 TRP 109 3HZ TRP 109 1.707 -3.725 -3.627 822 HH2 TRP 109 HH TRP 109 0.812 -1.452 -3.694 823 H VAL 110 H VAL 110 10.180 -3.712 -4.480 824 HA VAL 110 HA VAL 110 10.741 -6.286 -4.051 825 HB VAL 110 HB VAL 110 12.040 -4.593 -5.348 826 1HG1 VAL 110 1HG1 VAL 110 12.256 -2.940 -3.483 827 2HG1 VAL 110 2HG1 VAL 110 13.427 -4.034 -2.707 828 3HG1 VAL 110 3HG1 VAL 110 13.795 -3.316 -4.294 829 1HG2 VAL 110 1HG2 VAL 110 13.002 -6.915 -3.918 830 2HG2 VAL 110 2HG2 VAL 110 13.395 -6.352 -5.560 831 3HG2 VAL 110 3HG2 VAL 110 14.322 -5.748 -4.165 832 H ALA 111 H ALA 111 11.008 -3.631 -1.668 833 HA ALA 111 HA ALA 111 12.535 -4.649 0.274 834 1HB ALA 111 1HB ALA 111 10.082 -2.977 0.157 835 2HB ALA 111 2HB ALA 111 10.446 -3.686 1.750 836 3HB ALA 111 3HB ALA 111 11.650 -2.658 0.937 837 H TRP 112 H TRP 112 9.045 -5.505 -0.262 838 HA TRP 112 HA TRP 112 8.716 -7.260 1.791 839 1HB TRP 112 1HB TRP 112 6.858 -6.654 0.484 840 2HB TRP 112 2HB TRP 112 7.603 -7.204 -1.004 841 HD1 TRP 112 HD TRP 112 8.409 -10.049 0.935 842 HE1 TRP 112 1HE TRP 112 6.621 -11.989 0.959 843 HE3 TRP 112 3HE TRP 112 4.538 -7.212 -0.746 844 HZ2 TRP 112 2HZ TRP 112 3.849 -12.117 0.287 845 HZ3 TRP 112 3HZ TRP 112 2.324 -8.322 -1.035 846 HH2 TRP 112 HH TRP 112 1.948 -10.687 -0.548 847 H ARG 113 H ARG 113 9.775 -8.083 -1.599 848 HA ARG 113 HA ARG 113 10.310 -10.690 -1.153 849 1HB ARG 113 1HB ARG 113 10.408 -9.340 -3.354 850 2HB ARG 113 2HB ARG 113 12.041 -8.886 -2.909 851 1HG ARG 113 1HG ARG 113 11.899 -11.713 -2.548 852 2HG ARG 113 2HG ARG 113 11.086 -11.387 -4.066 853 1HD ARG 113 1HD ARG 113 13.026 -10.283 -4.990 854 2HD ARG 113 2HD ARG 113 13.800 -10.159 -3.423 855 HE ARG 113 HE ARG 113 13.394 -12.908 -3.822 856 1HH1 ARG 113 2HH2 ARG 113 15.114 -10.322 -5.477 857 2HH1 ARG 113 1HH2 ARG 113 16.325 -11.373 -6.131 858 1HH2 ARG 113 2HH1 ARG 113 14.993 -14.296 -4.684 859 2HH2 ARG 113 1HH1 ARG 113 16.256 -13.649 -5.677 860 H ALA 114 H ALA 114 11.933 -7.915 0.152 861 HA ALA 114 HA ALA 114 14.109 -9.653 1.087 862 1HB ALA 114 1HB ALA 114 15.515 -8.328 -0.075 863 2HB ALA 114 2HB ALA 114 14.218 -7.172 -0.462 864 3HB ALA 114 3HB ALA 114 15.103 -7.035 1.076 865 H HIS 115 H HIS 115 11.500 -9.185 2.303 866 HA HIS 115 HA HIS 115 12.472 -8.124 4.797 867 1HB HIS 115 1HB HIS 115 11.415 -6.235 3.328 868 2HB HIS 115 2HB HIS 115 9.889 -6.979 3.764 869 HD1 HIS 115 1HD HIS 115 13.001 -5.614 5.548 870 HD2 HIS 115 2HD HIS 115 8.872 -6.073 6.134 871 HE1 HIS 115 1HE HIS 115 12.460 -4.461 7.760 872 HE2 HIS 115 2HE HIS 115 9.901 -4.730 8.040 873 H CYS 116 H CYS 116 9.507 -9.210 2.994 874 HA CYS 116 HA CYS 116 8.643 -10.629 5.350 875 1HB CYS 116 1HB CYS 116 7.414 -9.598 2.944 876 2HB CYS 116 2HB CYS 116 6.981 -11.280 3.178 877 H GLN 117 H GLN 117 9.542 -11.310 1.891 878 HA GLN 117 HA GLN 117 9.462 -14.088 2.256 879 1HB GLN 117 1HB GLN 117 9.971 -12.202 0.107 880 2HB GLN 117 2HB GLN 117 11.183 -13.467 0.066 881 1HG GLN 117 1HG GLN 117 9.590 -15.179 -0.256 882 2HG GLN 117 2HG GLN 117 8.285 -14.246 0.450 883 1HE2 GLN 117 1HE2 GLN 117 9.192 -15.553 -2.293 884 2HE2 GLN 117 2HE2 GLN 117 8.610 -14.428 -3.475 885 H ASN 118 H ASN 118 10.818 -13.592 4.441 886 HA ASN 118 HA ASN 118 13.460 -14.523 3.788 887 1HB ASN 118 1HB ASN 118 13.281 -11.864 4.210 888 2HB ASN 118 2HB ASN 118 13.261 -12.354 5.893 889 1HD2 ASN 118 1HD2 ASN 118 15.077 -12.947 6.884 890 2HD2 ASN 118 2HD2 ASN 118 16.639 -13.084 6.147 891 H ARG 119 H ARG 119 11.166 -13.393 6.379 892 HA ARG 119 HA ARG 119 11.837 -15.831 7.817 893 1HB ARG 119 1HB ARG 119 12.590 -13.403 8.743 894 2HB ARG 119 2HB ARG 119 10.944 -13.385 9.345 895 1HG ARG 119 1HG ARG 119 11.391 -14.936 10.960 896 2HG ARG 119 2HG ARG 119 12.280 -15.966 9.854 897 1HD ARG 119 1HD ARG 119 14.289 -14.526 10.076 898 2HD ARG 119 2HD ARG 119 13.408 -13.412 11.102 899 HE ARG 119 HE ARG 119 13.679 -14.886 12.902 900 1HH1 ARG 119 2HH2 ARG 119 14.320 -16.602 9.899 901 2HH1 ARG 119 1HH2 ARG 119 14.890 -18.034 10.689 902 1HH2 ARG 119 2HH1 ARG 119 14.430 -16.774 13.947 903 2HH2 ARG 119 1HH1 ARG 119 14.953 -18.133 13.008 904 H ASP 120 H ASP 120 9.920 -15.648 9.881 905 HA ASP 120 HA ASP 120 7.537 -16.048 8.326 906 1HB ASP 120 1HB ASP 120 8.350 -17.665 10.117 907 2HB ASP 120 2HB ASP 120 8.013 -16.435 11.318 908 H LEU 121 H LEU 121 6.427 -14.099 7.948 909 HA LEU 121 HA LEU 121 6.423 -12.081 10.031 910 1HB LEU 121 1HB LEU 121 6.835 -11.672 7.545 911 2HB LEU 121 2HB LEU 121 5.118 -11.942 7.320 912 HG LEU 121 HG LEU 121 5.914 -9.530 7.506 913 1HD1 LEU 121 1HD1 LEU 121 3.529 -10.678 8.067 914 2HD1 LEU 121 2HD1 LEU 121 3.861 -9.856 9.612 915 3HD1 LEU 121 3HD1 LEU 121 3.827 -8.923 8.096 916 1HD2 LEU 121 1HD2 LEU 121 7.461 -9.901 9.405 917 2HD2 LEU 121 2HD2 LEU 121 6.286 -8.597 9.702 918 3HD2 LEU 121 3HD2 LEU 121 6.057 -10.191 10.460 919 H SER 122 H SER 122 4.946 -14.872 9.959 920 HA SER 122 HA SER 122 2.221 -14.061 9.985 921 1HB SER 122 1HB SER 122 3.193 -16.383 9.360 922 2HB SER 122 2HB SER 122 3.351 -16.663 11.082 923 HG SER 122 HG SER 122 0.861 -15.740 10.746 924 H GLN 123 H GLN 123 4.878 -13.980 12.195 925 HA GLN 123 HA GLN 123 3.318 -14.335 14.543 926 1HB GLN 123 1HB GLN 123 5.775 -14.882 14.362 927 2HB GLN 123 2HB GLN 123 6.119 -13.168 14.237 928 1HG GLN 123 1HG GLN 123 4.429 -13.411 16.506 929 2HG GLN 123 2HG GLN 123 5.537 -14.763 16.622 930 1HE2 GLN 123 1HE2 GLN 123 5.152 -11.325 16.647 931 2HE2 GLN 123 2HE2 GLN 123 6.748 -10.886 17.158 932 H TYR 124 H TYR 124 3.728 -11.815 12.268 933 HA TYR 124 HA TYR 124 3.525 -9.641 14.140 934 1HB TYR 124 1HB TYR 124 4.370 -10.087 11.505 935 2HB TYR 124 2HB TYR 124 2.786 -9.389 11.229 936 HD1 TYR 124 1HD TYR 124 3.105 -7.208 10.480 937 HD2 TYR 124 2HD TYR 124 5.394 -8.606 13.812 938 HE1 TYR 124 1HE TYR 124 4.082 -4.882 10.795 939 HE2 TYR 124 2HE TYR 124 6.363 -6.276 14.115 940 HH TYR 124 HH TYR 124 6.391 -4.237 13.420 941 H ILE 125 H ILE 125 1.362 -11.519 11.963 942 HA ILE 125 HA ILE 125 -0.866 -9.806 12.678 943 HB ILE 125 HB ILE 125 -2.088 -11.418 11.142 944 1HG1 ILE 125 1HG1 ILE 125 0.658 -12.225 10.197 945 2HG1 ILE 125 2HG1 ILE 125 -0.181 -13.162 11.419 946 1HG2 ILE 125 1HG2 ILE 125 -1.069 -10.373 9.097 947 2HG2 ILE 125 2HG2 ILE 125 -1.530 -9.232 10.383 948 3HG2 ILE 125 3HG2 ILE 125 0.178 -9.674 10.157 949 1HD1 ILE 125 1HD1 ILE 125 -0.730 -14.135 9.274 950 2HD1 ILE 125 2HD1 ILE 125 -2.184 -13.278 9.841 951 3HD1 ILE 125 3HD1 ILE 125 -1.147 -12.543 8.594 952 H ARG 126 H ARG 126 0.435 -13.095 13.278 953 HA ARG 126 HA ARG 126 -1.812 -14.059 14.563 954 1HB ARG 126 1HB ARG 126 0.109 -15.464 13.773 955 2HB ARG 126 2HB ARG 126 1.131 -14.771 15.017 956 1HG ARG 126 1HG ARG 126 0.453 -16.510 16.324 957 2HG ARG 126 2HG ARG 126 -1.052 -15.631 16.504 958 1HD ARG 126 1HD ARG 126 -2.104 -16.866 14.702 959 2HD ARG 126 2HD ARG 126 -0.575 -17.538 14.174 960 HE ARG 126 HE ARG 126 -0.706 -18.456 16.749 961 1HH1 ARG 126 2HH2 ARG 126 -3.055 -18.482 14.128 962 2HH1 ARG 126 1HH2 ARG 126 -3.834 -19.930 14.671 963 1HH2 ARG 126 2HH1 ARG 126 -1.735 -20.367 17.465 964 2HH2 ARG 126 1HH1 ARG 126 -3.079 -21.009 16.582 965 H ASN 127 H ASN 127 -2.729 -12.809 16.211 966 HA ASN 127 HA ASN 127 -1.868 -12.925 18.715 967 1HB ASN 127 1HB ASN 127 -0.206 -11.023 17.277 968 2HB ASN 127 2HB ASN 127 -1.163 -10.137 18.448 969 1HD2 ASN 127 1HD2 ASN 127 -1.081 -10.725 20.662 970 2HD2 ASN 127 2HD2 ASN 127 0.303 -11.516 21.341 971 H CYS 128 H CYS 128 -3.300 -11.044 16.074 972 HA CYS 128 HA CYS 128 -4.904 -9.377 17.710 973 1HB CYS 128 1HB CYS 128 -4.170 -9.385 15.074 974 2HB CYS 128 2HB CYS 128 -5.835 -9.923 14.970 975 H GLY 129 H GLY 129 -5.014 -12.685 16.514 976 1HA GLY 129 1HA GLY 129 -6.442 -14.269 17.506 977 2HA GLY 129 2HA GLY 129 -7.646 -13.026 17.782 978 H VAL 130 H VAL 130 -5.871 -13.248 14.697 979 HA VAL 130 HA VAL 130 -8.404 -13.729 13.365 980 HB VAL 130 HB VAL 130 -6.382 -12.031 12.858 981 1HG1 VAL 130 1HG1 VAL 130 -5.000 -14.200 12.304 982 2HG1 VAL 130 2HG1 VAL 130 -5.865 -14.109 10.751 983 3HG1 VAL 130 3HG1 VAL 130 -4.847 -12.749 11.284 984 1HG2 VAL 130 1HG2 VAL 130 -8.400 -11.681 11.752 985 2HG2 VAL 130 2HG2 VAL 130 -7.293 -12.082 10.416 986 3HG2 VAL 130 3HG2 VAL 130 -8.416 -13.313 11.043 Start of MODEL 15 1 H LYS 1 H LYS 1 -2.766 10.070 9.229 2 HA LYS 1 HA LYS 1 -4.152 9.579 11.034 3 1HB LYS 1 1HB LYS 1 -5.774 8.504 9.111 4 2HB LYS 1 2HB LYS 1 -5.243 7.057 9.943 5 1HG LYS 1 1HG LYS 1 -5.882 9.149 11.882 6 2HG LYS 1 2HG LYS 1 -7.235 8.902 10.796 7 1HD LYS 1 1HD LYS 1 -6.456 6.286 11.339 8 2HD LYS 1 2HD LYS 1 -6.119 7.085 12.861 9 1HE LYS 1 1HE LYS 1 -8.376 7.703 13.200 10 2HE LYS 1 2HE LYS 1 -8.766 7.620 11.493 11 1HZ LYS 1 1HZ LYS 1 -9.660 5.707 12.330 12 2HZ LYS 1 2HZ LYS 1 -8.222 5.153 11.789 13 3HZ LYS 1 3HZ LYS 1 -8.444 5.428 13.384 14 H VAL 2 H VAL 2 -4.417 6.659 11.733 15 HA VAL 2 HA VAL 2 -1.640 5.797 11.570 16 HB VAL 2 HB VAL 2 -2.997 6.864 13.950 17 1HG1 VAL 2 1HG1 VAL 2 -1.739 5.223 15.451 18 2HG1 VAL 2 2HG1 VAL 2 -3.217 4.617 14.666 19 3HG1 VAL 2 3HG1 VAL 2 -1.620 4.168 14.023 20 1HG2 VAL 2 1HG2 VAL 2 -0.950 7.736 14.392 21 2HG2 VAL 2 2HG2 VAL 2 -0.091 6.248 13.925 22 3HG2 VAL 2 3HG2 VAL 2 -0.667 7.373 12.672 23 H TYR 3 H TYR 3 -1.413 3.548 11.601 24 HA TYR 3 HA TYR 3 -3.782 1.973 12.222 25 1HB TYR 3 1HB TYR 3 -4.122 1.445 9.977 26 2HB TYR 3 2HB TYR 3 -3.093 2.816 9.613 27 HD1 TYR 3 1HD TYR 3 -1.474 2.376 8.023 28 HD2 TYR 3 2HD TYR 3 -2.549 -0.724 10.767 29 HE1 TYR 3 1HE TYR 3 0.207 0.815 6.928 30 HE2 TYR 3 2HE TYR 3 -0.864 -2.275 9.664 31 HH TYR 3 HH TYR 3 0.486 -2.558 7.982 32 H GLU 4 H GLU 4 -3.274 0.001 13.125 33 HA GLU 4 HA GLU 4 -0.421 -0.588 13.194 34 1HB GLU 4 1HB GLU 4 -0.839 -1.725 15.324 35 2HB GLU 4 2HB GLU 4 -1.471 -0.092 15.395 36 1HG GLU 4 1HG GLU 4 -3.743 -0.840 15.120 37 2HG GLU 4 2HG GLU 4 -3.241 -2.434 14.591 38 H ARG 5 H ARG 5 0.149 -2.981 13.304 39 HA ARG 5 HA ARG 5 -0.550 -4.299 11.148 40 1HB ARG 5 1HB ARG 5 -0.175 -6.470 12.665 41 2HB ARG 5 2HB ARG 5 1.147 -5.361 12.358 42 1HG ARG 5 1HG ARG 5 -0.312 -4.340 14.620 43 2HG ARG 5 2HG ARG 5 -0.070 -6.055 14.891 44 1HD ARG 5 1HD ARG 5 2.411 -5.660 14.242 45 2HD ARG 5 2HD ARG 5 2.068 -3.946 14.357 46 HE ARG 5 HE ARG 5 1.095 -5.112 16.744 47 1HH1 ARG 5 2HH2 ARG 5 4.191 -4.697 15.123 48 2HH1 ARG 5 1HH2 ARG 5 5.104 -4.685 16.595 49 1HH2 ARG 5 2HH1 ARG 5 2.299 -5.096 18.686 50 2HH2 ARG 5 1HH1 ARG 5 4.021 -4.914 18.635 51 H CYS 6 H CYS 6 -2.046 -5.095 14.380 52 HA CYS 6 HA CYS 6 -3.947 -6.810 13.559 53 1HB CYS 6 1HB CYS 6 -4.236 -4.676 15.684 54 2HB CYS 6 2HB CYS 6 -5.290 -6.065 15.502 55 H GLU 7 H GLU 7 -4.893 -3.404 14.374 56 HA GLU 7 HA GLU 7 -7.198 -3.175 13.250 57 1HB GLU 7 1HB GLU 7 -4.924 -1.332 13.549 58 2HB GLU 7 2HB GLU 7 -5.985 -0.852 12.239 59 1HG GLU 7 1HG GLU 7 -7.461 -1.711 14.658 60 2HG GLU 7 2HG GLU 7 -6.413 -0.338 14.952 61 H PHE 8 H PHE 8 -4.293 -2.383 11.198 62 HA PHE 8 HA PHE 8 -5.507 -2.225 8.802 63 1HB PHE 8 1HB PHE 8 -2.915 -2.414 9.869 64 2HB PHE 8 2HB PHE 8 -2.988 -3.855 8.876 65 HD1 PHE 8 1HD PHE 8 -3.981 -0.261 8.556 66 HD2 PHE 8 2HD PHE 8 -2.139 -3.632 6.756 67 HE1 PHE 8 1HE PHE 8 -3.455 1.113 6.522 68 HE2 PHE 8 2HE PHE 8 -1.612 -2.259 4.721 69 HZ PHE 8 HZ PHE 8 -2.277 0.097 4.629 70 H ALA 9 H ALA 9 -4.176 -5.274 10.272 71 HA ALA 9 HA ALA 9 -4.817 -6.991 8.241 72 1HB ALA 9 1HB ALA 9 -3.687 -8.182 9.793 73 2HB ALA 9 2HB ALA 9 -4.223 -7.119 11.116 74 3HB ALA 9 3HB ALA 9 -5.269 -8.449 10.565 75 H ARG 10 H ARG 10 -6.869 -6.005 11.070 76 HA ARG 10 HA ARG 10 -9.027 -7.542 10.397 77 1HB ARG 10 1HB ARG 10 -8.615 -6.185 12.545 78 2HB ARG 10 2HB ARG 10 -9.163 -4.767 11.672 79 1HG ARG 10 1HG ARG 10 -11.308 -6.135 11.123 80 2HG ARG 10 2HG ARG 10 -10.761 -7.270 12.341 81 1HD ARG 10 1HD ARG 10 -10.563 -5.202 13.925 82 2HD ARG 10 2HD ARG 10 -11.505 -4.342 12.723 83 HE ARG 10 HE ARG 10 -12.815 -6.825 13.307 84 1HH1 ARG 10 2HH2 ARG 10 -12.131 -3.709 14.791 85 2HH1 ARG 10 1HH2 ARG 10 -13.529 -3.744 15.813 86 1HH2 ARG 10 2HH1 ARG 10 -14.660 -6.872 14.654 87 2HH2 ARG 10 1HH1 ARG 10 -14.977 -5.557 15.734 88 H THR 11 H THR 11 -8.323 -4.062 9.601 89 HA THR 11 HA THR 11 -10.637 -3.594 8.121 90 HB THR 11 HB THR 11 -7.820 -2.407 8.110 91 HG1 THR 11 1HG THR 11 -9.260 -2.204 10.008 92 1HG2 THR 11 1HG2 THR 11 -9.865 -1.994 6.141 93 2HG2 THR 11 2HG2 THR 11 -9.927 -0.597 7.242 94 3HG2 THR 11 3HG2 THR 11 -8.409 -1.005 6.406 95 H LEU 12 H LEU 12 -7.336 -4.538 6.945 96 HA LEU 12 HA LEU 12 -7.934 -4.674 4.287 97 1HB LEU 12 1HB LEU 12 -5.818 -5.349 5.961 98 2HB LEU 12 2HB LEU 12 -6.217 -6.856 5.158 99 HG LEU 12 HG LEU 12 -6.205 -5.147 3.032 100 1HD1 LEU 12 1HD1 LEU 12 -4.614 -3.483 3.167 101 2HD1 LEU 12 2HD1 LEU 12 -5.374 -3.386 4.773 102 3HD1 LEU 12 3HD1 LEU 12 -3.809 -4.212 4.578 103 1HD2 LEU 12 1HD2 LEU 12 -5.043 -7.051 2.639 104 2HD2 LEU 12 2HD2 LEU 12 -3.657 -5.973 2.937 105 3HD2 LEU 12 3HD2 LEU 12 -4.253 -7.038 4.234 106 H LYS 13 H LYS 13 -8.345 -7.265 6.788 107 HA LYS 13 HA LYS 13 -9.424 -9.121 4.970 108 1HB LYS 13 1HB LYS 13 -8.391 -9.402 7.365 109 2HB LYS 13 2HB LYS 13 -10.034 -9.140 7.914 110 1HG LYS 13 1HG LYS 13 -9.739 -11.074 5.652 111 2HG LYS 13 2HG LYS 13 -9.037 -11.590 7.172 112 1HD LYS 13 1HD LYS 13 -11.189 -11.221 8.337 113 2HD LYS 13 2HD LYS 13 -11.905 -10.583 6.871 114 1HE LYS 13 1HE LYS 13 -11.158 -12.920 5.830 115 2HE LYS 13 2HE LYS 13 -11.118 -13.437 7.505 116 1HZ LYS 13 1HZ LYS 13 -13.282 -13.720 7.263 117 2HZ LYS 13 2HZ LYS 13 -13.451 -12.096 7.294 118 3HZ LYS 13 3HZ LYS 13 -13.358 -12.879 5.864 119 H ARG 14 H ARG 14 -10.760 -6.395 6.809 120 HA ARG 14 HA ARG 14 -13.430 -7.248 6.460 121 1HB ARG 14 1HB ARG 14 -12.593 -5.706 8.309 122 2HB ARG 14 2HB ARG 14 -12.378 -4.449 7.108 123 1HG ARG 14 1HG ARG 14 -14.611 -3.974 7.041 124 2HG ARG 14 2HG ARG 14 -15.057 -5.666 6.947 125 1HD ARG 14 1HD ARG 14 -14.904 -5.936 9.360 126 2HD ARG 14 2HD ARG 14 -14.126 -4.377 9.552 127 HE ARG 14 HE ARG 14 -16.232 -3.372 9.518 128 1HH1 ARG 14 2HH2 ARG 14 -16.468 -6.531 7.985 129 2HH1 ARG 14 1HH2 ARG 14 -18.188 -6.452 7.796 130 1HH2 ARG 14 2HH1 ARG 14 -18.501 -3.268 9.269 131 2HH2 ARG 14 1HH1 ARG 14 -19.352 -4.583 8.531 132 H ASN 15 H ASN 15 -11.035 -5.532 4.559 133 HA ASN 15 HA ASN 15 -13.010 -4.247 2.928 134 1HB ASN 15 1HB ASN 15 -10.389 -3.645 3.549 135 2HB ASN 15 2HB ASN 15 -10.164 -4.427 1.998 136 1HD2 ASN 15 1HD2 ASN 15 -11.710 -1.802 3.720 137 2HD2 ASN 15 2HD2 ASN 15 -12.044 -0.780 2.361 138 H GLY 16 H GLY 16 -10.649 -6.977 2.859 139 1HA GLY 16 1HA GLY 16 -11.197 -8.977 1.697 140 2HA GLY 16 2HA GLY 16 -12.028 -8.036 0.475 141 H MET 17 H MET 17 -8.734 -8.261 2.007 142 HA MET 17 HA MET 17 -7.625 -8.449 -0.640 143 1HB MET 17 1HB MET 17 -7.786 -5.947 0.139 144 2HB MET 17 2HB MET 17 -6.558 -6.356 1.321 145 1HG MET 17 1HG MET 17 -5.492 -5.421 -0.697 146 2HG MET 17 2HG MET 17 -5.028 -7.101 -0.510 147 1HE MET 17 1HE MET 17 -8.322 -5.624 -3.380 148 2HE MET 17 2HE MET 17 -8.677 -6.002 -1.678 149 3HE MET 17 3HE MET 17 -7.564 -4.673 -2.081 150 H ALA 18 H ALA 18 -7.132 -8.292 2.927 151 HA ALA 18 HA ALA 18 -4.575 -9.333 3.028 152 1HB ALA 18 1HB ALA 18 -5.253 -8.577 5.080 153 2HB ALA 18 2HB ALA 18 -6.934 -9.111 4.841 154 3HB ALA 18 3HB ALA 18 -5.684 -10.289 5.306 155 H GLY 19 H GLY 19 -3.763 -11.225 2.292 156 1HA GLY 19 1HA GLY 19 -3.601 -13.495 2.094 157 2HA GLY 19 2HA GLY 19 -5.226 -13.684 2.723 158 H TYR 20 H TYR 20 -4.571 -11.379 0.096 159 HA TYR 20 HA TYR 20 -6.542 -12.255 -1.562 160 1HB TYR 20 1HB TYR 20 -4.864 -10.205 -1.563 161 2HB TYR 20 2HB TYR 20 -3.770 -11.257 -2.438 162 HD1 TYR 20 1HD TYR 20 -7.183 -9.749 -2.598 163 HD2 TYR 20 2HD TYR 20 -3.940 -11.490 -4.779 164 HE1 TYR 20 1HE TYR 20 -8.296 -9.096 -4.789 165 HE2 TYR 20 2HE TYR 20 -5.064 -10.831 -6.962 166 HH TYR 20 HH TYR 20 -7.653 -8.648 -7.068 167 H TYR 21 H TYR 21 -5.938 -12.989 -4.010 168 HA TYR 21 HA TYR 21 -5.685 -15.622 -4.105 169 1HB TYR 21 1HB TYR 21 -5.038 -13.265 -5.814 170 2HB TYR 21 2HB TYR 21 -4.112 -14.677 -6.285 171 HD1 TYR 21 1HD TYR 21 -5.024 -15.969 -7.973 172 HD2 TYR 21 2HD TYR 21 -7.664 -13.890 -5.325 173 HE1 TYR 21 1HE TYR 21 -7.027 -16.839 -9.276 174 HE2 TYR 21 2HE TYR 21 -9.658 -14.767 -6.637 175 HH TYR 21 HH TYR 21 -10.203 -16.594 -8.072 176 H GLY 22 H GLY 22 -2.834 -13.375 -4.309 177 1HA GLY 22 1HA GLY 22 -1.129 -15.681 -3.579 178 2HA GLY 22 2HA GLY 22 -0.633 -14.363 -4.623 179 H VAL 23 H VAL 23 -1.262 -12.041 -3.443 180 HA VAL 23 HA VAL 23 0.606 -11.660 -1.507 181 HB VAL 23 HB VAL 23 -1.982 -10.121 -1.656 182 1HG1 VAL 23 1HG1 VAL 23 -0.320 -8.198 -1.307 183 2HG1 VAL 23 2HG1 VAL 23 -0.623 -9.276 0.076 184 3HG1 VAL 23 3HG1 VAL 23 0.865 -9.455 -0.883 185 1HG2 VAL 23 1HG2 VAL 23 -0.528 -8.767 -3.414 186 2HG2 VAL 23 2HG2 VAL 23 0.216 -10.363 -3.676 187 3HG2 VAL 23 3HG2 VAL 23 -1.535 -10.150 -3.911 188 H SER 24 H SER 24 0.851 -12.359 0.547 189 HA SER 24 HA SER 24 -1.457 -13.519 1.813 190 1HB SER 24 1HB SER 24 1.441 -13.862 1.940 191 2HB SER 24 2HB SER 24 0.780 -13.672 3.552 192 HG SER 24 HG SER 24 0.327 -15.729 1.633 193 H LEU 25 H LEU 25 -2.349 -12.787 3.812 194 HA LEU 25 HA LEU 25 -2.533 -10.130 4.253 195 1HB LEU 25 1HB LEU 25 -4.087 -11.498 5.288 196 2HB LEU 25 2HB LEU 25 -2.868 -12.525 6.016 197 HG LEU 25 HG LEU 25 -2.262 -10.689 7.569 198 1HD1 LEU 25 1HD1 LEU 25 -4.722 -9.151 6.992 199 2HD1 LEU 25 2HD1 LEU 25 -3.109 -8.602 7.508 200 3HD1 LEU 25 3HD1 LEU 25 -3.410 -8.996 5.798 201 1HD2 LEU 25 1HD2 LEU 25 -3.891 -12.451 8.181 202 2HD2 LEU 25 2HD2 LEU 25 -4.179 -10.908 9.019 203 3HD2 LEU 25 3HD2 LEU 25 -5.210 -11.382 7.647 204 H ALA 26 H ALA 26 -0.076 -12.399 5.597 205 HA ALA 26 HA ALA 26 1.129 -10.568 7.320 206 1HB ALA 26 1HB ALA 26 3.099 -12.354 6.328 207 2HB ALA 26 2HB ALA 26 2.139 -12.512 7.819 208 3HB ALA 26 3HB ALA 26 1.558 -13.244 6.305 209 H ASP 27 H ASP 27 1.645 -11.328 3.831 210 HA ASP 27 HA ASP 27 3.900 -9.752 3.543 211 1HB ASP 27 1HB ASP 27 3.203 -11.402 1.861 212 2HB ASP 27 2HB ASP 27 1.709 -10.535 1.568 213 H TRP 28 H TRP 28 0.359 -9.115 3.313 214 HA TRP 28 HA TRP 28 0.495 -6.564 2.191 215 1HB TRP 28 1HB TRP 28 -1.525 -8.097 3.774 216 2HB TRP 28 2HB TRP 28 -1.771 -6.380 3.525 217 HD1 TRP 28 HD TRP 28 -2.746 -9.491 1.946 218 HE1 TRP 28 1HE TRP 28 -3.427 -9.275 -0.596 219 HE3 TRP 28 3HE TRP 28 -0.689 -4.895 1.240 220 HZ2 TRP 28 2HZ TRP 28 -3.037 -7.253 -2.570 221 HZ3 TRP 28 3HZ TRP 28 -0.883 -3.870 -1.024 222 HH2 TRP 28 HH TRP 28 -2.009 -4.973 -2.892 223 H VAL 29 H VAL 29 0.051 -7.592 5.660 224 HA VAL 29 HA VAL 29 0.331 -5.048 6.728 225 HB VAL 29 HB VAL 29 1.063 -7.705 7.974 226 1HG1 VAL 29 1HG1 VAL 29 -0.115 -5.378 9.465 227 2HG1 VAL 29 2HG1 VAL 29 0.915 -6.707 10.052 228 3HG1 VAL 29 3HG1 VAL 29 1.626 -5.388 9.090 229 1HG2 VAL 29 1HG2 VAL 29 -1.476 -7.081 8.846 230 2HG2 VAL 29 2HG2 VAL 29 -1.523 -6.586 7.137 231 3HG2 VAL 29 3HG2 VAL 29 -1.078 -8.254 7.568 232 H CYS 30 H CYS 30 2.809 -7.708 6.539 233 HA CYS 30 HA CYS 30 4.925 -6.353 7.517 234 1HB CYS 30 1HB CYS 30 4.805 -8.759 6.776 235 2HB CYS 30 2HB CYS 30 5.080 -8.207 5.135 236 H LEU 31 H LEU 31 3.913 -6.546 4.020 237 HA LEU 31 HA LEU 31 5.772 -4.865 2.959 238 1HB LEU 31 1HB LEU 31 4.198 -6.202 1.679 239 2HB LEU 31 2HB LEU 31 2.865 -5.196 2.209 240 HG LEU 31 HG LEU 31 5.048 -3.720 0.876 241 1HD1 LEU 31 1HD1 LEU 31 3.425 -5.774 -0.648 242 2HD1 LEU 31 2HD1 LEU 31 4.338 -4.443 -1.398 243 3HD1 LEU 31 3HD1 LEU 31 5.196 -5.701 -0.476 244 1HD2 LEU 31 1HD2 LEU 31 2.282 -3.589 -0.140 245 2HD2 LEU 31 2HD2 LEU 31 2.477 -3.176 1.582 246 3HD2 LEU 31 3HD2 LEU 31 3.400 -2.291 0.345 247 H ALA 32 H ALA 32 2.551 -3.957 4.361 248 HA ALA 32 HA ALA 32 2.925 -1.202 3.990 249 1HB ALA 32 1HB ALA 32 1.038 -1.041 5.623 250 2HB ALA 32 2HB ALA 32 0.729 -2.208 4.315 251 3HB ALA 32 3HB ALA 32 1.197 -2.786 5.932 252 H GLN 33 H GLN 33 4.186 -3.518 6.312 253 HA GLN 33 HA GLN 33 4.670 -1.651 8.356 254 1HB GLN 33 1HB GLN 33 4.572 -4.259 8.451 255 2HB GLN 33 2HB GLN 33 6.244 -4.212 7.929 256 1HG GLN 33 1HG GLN 33 6.273 -2.343 9.969 257 2HG GLN 33 2HG GLN 33 5.058 -3.462 10.557 258 1HE2 GLN 33 1HE2 GLN 33 8.188 -2.743 10.742 259 2HE2 GLN 33 2HE2 GLN 33 8.907 -4.292 11.035 260 H HIS 34 H HIS 34 6.792 -3.197 5.840 261 HA HIS 34 HA HIS 34 9.059 -1.717 6.542 262 1HB HIS 34 1HB HIS 34 8.773 -3.890 5.132 263 2HB HIS 34 2HB HIS 34 8.548 -2.800 3.779 264 HD1 HIS 34 1HD HIS 34 10.698 -0.644 4.504 265 HD2 HIS 34 2HD HIS 34 11.325 -4.790 4.638 266 HE1 HIS 34 1HE HIS 34 13.217 -0.994 4.288 267 HE2 HIS 34 2HE HIS 34 13.545 -3.557 4.431 268 H GLU 35 H GLU 35 6.157 -0.947 4.729 269 HA GLU 35 HA GLU 35 7.348 1.156 3.255 270 1HB GLU 35 1HB GLU 35 4.477 0.324 3.804 271 2HB GLU 35 2HB GLU 35 4.851 1.766 2.882 272 1HG GLU 35 1HG GLU 35 5.967 -0.989 2.187 273 2HG GLU 35 2HG GLU 35 4.482 -0.359 1.501 274 H SER 36 H SER 36 4.859 1.137 5.919 275 HA SER 36 HA SER 36 6.243 3.301 7.167 276 1HB SER 36 1HB SER 36 4.701 4.333 5.380 277 2HB SER 36 2HB SER 36 3.350 3.749 6.331 278 HG SER 36 HG SER 36 4.380 4.965 8.184 279 H ASN 37 H ASN 37 2.821 2.048 7.116 280 HA ASN 37 HA ASN 37 1.599 1.080 8.620 281 1HB ASN 37 1HB ASN 37 3.034 -0.804 8.815 282 2HB ASN 37 2HB ASN 37 4.342 0.136 9.503 283 1HD2 ASN 37 1HD2 ASN 37 4.727 -0.295 11.524 284 2HD2 ASN 37 2HD2 ASN 37 3.580 -0.718 12.753 285 H TYR 38 H TYR 38 1.045 1.111 11.121 286 HA TYR 38 HA TYR 38 0.742 2.236 13.006 287 1HB TYR 38 1HB TYR 38 3.597 2.787 12.182 288 2HB TYR 38 2HB TYR 38 2.950 3.899 13.372 289 HD1 TYR 38 1HD TYR 38 5.048 1.318 13.244 290 HD2 TYR 38 2HD TYR 38 1.320 2.255 15.123 291 HE1 TYR 38 1HE TYR 38 5.549 -0.356 15.091 292 HE2 TYR 38 2HE TYR 38 1.833 0.578 16.963 293 HH TYR 38 HH TYR 38 4.730 -0.510 17.650 294 H ASN 39 H ASN 39 2.576 4.516 10.837 295 HA ASN 39 HA ASN 39 0.424 6.412 11.352 296 1HB ASN 39 1HB ASN 39 3.293 6.942 10.412 297 2HB ASN 39 2HB ASN 39 2.098 8.178 10.749 298 1HD2 ASN 39 1HD2 ASN 39 1.805 8.895 12.754 299 2HD2 ASN 39 2HD2 ASN 39 2.580 8.284 14.178 300 H THR 40 H THR 40 -0.439 7.583 9.477 301 HA THR 40 HA THR 40 0.388 6.457 6.882 302 HB THR 40 HB THR 40 -1.872 6.112 6.325 303 HG1 THR 40 1HG THR 40 -2.361 8.033 8.494 304 1HG2 THR 40 1HG2 THR 40 -2.944 4.956 8.090 305 2HG2 THR 40 2HG2 THR 40 -1.246 4.907 8.620 306 3HG2 THR 40 3HG2 THR 40 -2.361 6.104 9.320 307 H ARG 41 H ARG 41 1.810 8.581 7.665 308 HA ARG 41 HA ARG 41 0.453 10.768 6.304 309 1HB ARG 41 1HB ARG 41 1.088 11.032 8.824 310 2HB ARG 41 2HB ARG 41 2.752 11.105 8.279 311 1HG ARG 41 1HG ARG 41 2.504 13.290 7.736 312 2HG ARG 41 2HG ARG 41 1.232 12.881 6.601 313 1HD ARG 41 1HD ARG 41 -0.453 12.943 8.438 314 2HD ARG 41 2HD ARG 41 0.809 13.297 9.602 315 HE ARG 41 HE ARG 41 0.900 15.221 7.456 316 1HH1 ARG 41 2HH2 ARG 41 -0.987 14.350 10.297 317 2HH1 ARG 41 1HH2 ARG 41 -1.568 15.960 10.562 318 1HH2 ARG 41 2HH1 ARG 41 0.133 17.345 7.805 319 2HH2 ARG 41 1HH1 ARG 41 -0.928 17.675 9.135 320 H ALA 42 H ALA 42 2.500 8.359 5.674 321 HA ALA 42 HA ALA 42 4.923 9.444 4.918 322 1HB ALA 42 1HB ALA 42 5.108 7.216 4.630 323 2HB ALA 42 2HB ALA 42 3.349 7.019 4.451 324 3HB ALA 42 3HB ALA 42 4.343 7.457 3.042 325 H THR 43 H THR 43 5.162 11.280 3.725 326 HA THR 43 HA THR 43 3.915 11.301 1.090 327 HB THR 43 HB THR 43 3.456 13.875 1.739 328 HG1 THR 43 1HG THR 43 3.397 12.232 4.172 329 1HG2 THR 43 1HG2 THR 43 1.563 12.480 1.115 330 2HG2 THR 43 2HG2 THR 43 1.752 11.476 2.573 331 3HG2 THR 43 3HG2 THR 43 1.182 13.156 2.717 332 H ASN 44 H ASN 44 5.291 11.931 -0.468 333 HA ASN 44 HA ASN 44 7.457 13.666 0.286 334 1HB ASN 44 1HB ASN 44 7.779 10.781 -0.147 335 2HB ASN 44 2HB ASN 44 8.685 11.674 -1.351 336 1HD2 ASN 44 1HD2 ASN 44 8.756 10.377 1.676 337 2HD2 ASN 44 2HD2 ASN 44 10.063 11.261 2.389 338 H TYR 45 H TYR 45 6.508 15.198 -1.205 339 HA TYR 45 HA TYR 45 5.950 14.313 -3.908 340 1HB TYR 45 1HB TYR 45 5.169 16.725 -4.040 341 2HB TYR 45 2HB TYR 45 4.464 15.905 -2.661 342 HD1 TYR 45 1HD TYR 45 7.151 18.270 -3.673 343 HD2 TYR 45 2HD TYR 45 4.844 16.676 -0.442 344 HE1 TYR 45 1HE TYR 45 8.052 20.077 -2.128 345 HE2 TYR 45 2HE TYR 45 5.753 18.488 1.092 346 HH TYR 45 HH TYR 45 7.356 20.018 1.314 347 H ASN 46 H ASN 46 6.873 15.409 -5.803 348 HA ASN 46 HA ASN 46 9.211 16.974 -5.370 349 1HB ASN 46 1HB ASN 46 9.386 14.156 -6.548 350 2HB ASN 46 2HB ASN 46 10.629 15.361 -6.817 351 1HD2 ASN 46 1HD2 ASN 46 11.940 16.050 -5.154 352 2HD2 ASN 46 2HD2 ASN 46 12.082 15.219 -3.642 353 H ARG 47 H ARG 47 8.530 18.578 -6.830 354 HA ARG 47 HA ARG 47 7.097 17.848 -9.157 355 1HB ARG 47 1HB ARG 47 7.129 20.094 -7.642 356 2HB ARG 47 2HB ARG 47 8.306 20.596 -8.840 357 1HG ARG 47 1HG ARG 47 6.664 21.008 -10.348 358 2HG ARG 47 2HG ARG 47 6.083 19.360 -10.221 359 1HD ARG 47 1HD ARG 47 5.385 21.201 -7.950 360 2HD ARG 47 2HD ARG 47 4.591 21.515 -9.479 361 HE ARG 47 HE ARG 47 4.326 18.762 -9.141 362 1HH1 ARG 47 2HH2 ARG 47 3.463 21.595 -7.241 363 2HH1 ARG 47 1HH2 ARG 47 2.100 20.834 -6.490 364 1HH2 ARG 47 2HH1 ARG 47 2.528 17.757 -8.150 365 2HH2 ARG 47 1HH1 ARG 47 1.566 18.636 -7.011 366 H GLY 48 H GLY 48 10.454 18.610 -8.276 367 1HA GLY 48 1HA GLY 48 11.740 19.478 -10.416 368 2HA GLY 48 2HA GLY 48 12.338 18.127 -9.474 369 H ASP 49 H ASP 49 10.187 16.238 -10.163 370 HA ASP 49 HA ASP 49 10.604 16.004 -13.030 371 1HB ASP 49 1HB ASP 49 11.886 14.409 -11.108 372 2HB ASP 49 2HB ASP 49 10.517 13.426 -11.584 373 H GLN 50 H GLN 50 8.307 16.984 -11.465 374 HA GLN 50 HA GLN 50 6.217 16.519 -10.885 375 1HB GLN 50 1HB GLN 50 6.354 16.988 -13.424 376 2HB GLN 50 2HB GLN 50 6.092 15.270 -13.656 377 1HG GLN 50 1HG GLN 50 3.901 16.153 -13.746 378 2HG GLN 50 2HG GLN 50 4.014 15.563 -12.100 379 1HE2 GLN 50 1HE2 GLN 50 3.225 16.868 -10.653 380 2HE2 GLN 50 2HE2 GLN 50 3.222 18.599 -10.678 381 H SER 51 H SER 51 7.453 14.658 -9.476 382 HA SER 51 HA SER 51 5.772 12.346 -9.879 383 1HB SER 51 1HB SER 51 7.523 10.747 -9.811 384 2HB SER 51 2HB SER 51 8.092 11.963 -10.937 385 HG SER 51 HG SER 51 9.796 12.206 -9.679 386 H THR 52 H THR 52 4.591 12.514 -7.987 387 HA THR 52 HA THR 52 6.053 13.175 -5.533 388 HB THR 52 HB THR 52 3.101 13.216 -6.339 389 HG1 THR 52 1HG THR 52 4.975 15.242 -5.365 390 1HG2 THR 52 1HG2 THR 52 4.330 13.120 -3.678 391 2HG2 THR 52 2HG2 THR 52 3.552 14.697 -3.956 392 3HG2 THR 52 3HG2 THR 52 2.604 13.199 -4.106 393 H ASP 53 H ASP 53 6.477 11.719 -3.984 394 HA ASP 53 HA ASP 53 5.277 9.100 -4.401 395 1HB ASP 53 1HB ASP 53 7.747 9.771 -2.743 396 2HB ASP 53 2HB ASP 53 7.218 8.177 -3.242 397 H TYR 54 H TYR 54 3.498 8.936 -3.004 398 HA TYR 54 HA TYR 54 3.982 9.319 -0.182 399 1HB TYR 54 1HB TYR 54 2.082 10.919 -0.003 400 2HB TYR 54 2HB TYR 54 3.230 11.562 -1.160 401 HD1 TYR 54 1HD TYR 54 2.732 10.503 -3.686 402 HD2 TYR 54 2HD TYR 54 -0.132 11.221 -0.591 403 HE1 TYR 54 1HE TYR 54 0.884 10.662 -5.424 404 HE2 TYR 54 2HE TYR 54 -1.971 11.377 -2.339 405 HH TYR 54 HH TYR 54 -2.351 10.501 -4.632 406 H GLY 55 H GLY 55 1.994 8.606 1.115 407 1HA GLY 55 1HA GLY 55 -0.149 7.458 0.947 408 2HA GLY 55 2HA GLY 55 0.500 6.552 -0.406 409 H ILE 56 H ILE 56 -0.589 5.514 2.153 410 HA ILE 56 HA ILE 56 1.326 4.800 3.978 411 HB ILE 56 HB ILE 56 -1.339 3.945 3.195 412 1HG1 ILE 56 1HG1 ILE 56 -0.293 5.265 5.275 413 2HG1 ILE 56 2HG1 ILE 56 -1.805 4.384 5.366 414 1HG2 ILE 56 1HG2 ILE 56 -0.481 1.776 2.824 415 2HG2 ILE 56 2HG2 ILE 56 0.592 1.870 4.241 416 3HG2 ILE 56 3HG2 ILE 56 -1.170 1.757 4.465 417 1HD1 ILE 56 1HD1 ILE 56 0.923 3.230 6.109 418 2HD1 ILE 56 2HD1 ILE 56 -0.287 3.832 7.267 419 3HD1 ILE 56 3HD1 ILE 56 -0.643 2.400 6.272 420 H PHE 57 H PHE 57 0.797 3.647 0.675 421 HA PHE 57 HA PHE 57 2.799 1.559 1.127 422 1HB PHE 57 1HB PHE 57 0.698 2.185 -1.025 423 2HB PHE 57 2HB PHE 57 1.902 0.933 -1.261 424 HD1 PHE 57 1HD PHE 57 2.057 -0.592 1.086 425 HD2 PHE 57 2HD PHE 57 -1.370 1.329 -0.519 426 HE1 PHE 57 1HE PHE 57 0.580 -2.239 2.271 427 HE2 PHE 57 2HE PHE 57 -2.848 -0.318 0.667 428 HZ PHE 57 HZ PHE 57 -1.856 -2.082 2.048 429 H GLN 58 H GLN 58 3.086 4.661 0.691 430 HA GLN 58 HA GLN 58 4.240 6.059 -0.547 431 1HB GLN 58 1HB GLN 58 5.924 4.494 0.737 432 2HB GLN 58 2HB GLN 58 6.327 3.884 -0.856 433 1HG GLN 58 1HG GLN 58 7.683 5.670 -1.176 434 2HG GLN 58 2HG GLN 58 6.285 6.724 -1.111 435 1HE2 GLN 58 1HE2 GLN 58 7.332 8.374 -0.088 436 2HE2 GLN 58 2HE2 GLN 58 7.841 8.328 1.567 437 H ILE 59 H ILE 59 2.839 6.183 -2.414 438 HA ILE 59 HA ILE 59 3.816 4.614 -4.698 439 HB ILE 59 HB ILE 59 1.092 5.633 -3.952 440 1HG1 ILE 59 1HG1 ILE 59 1.818 2.920 -5.042 441 2HG1 ILE 59 2HG1 ILE 59 2.076 3.299 -3.349 442 1HG2 ILE 59 1HG2 ILE 59 1.545 6.381 -6.258 443 2HG2 ILE 59 2HG2 ILE 59 1.927 4.703 -6.713 444 3HG2 ILE 59 3HG2 ILE 59 0.283 5.129 -6.181 445 1HD1 ILE 59 1HD1 ILE 59 -0.139 3.129 -2.880 446 2HD1 ILE 59 2HD1 ILE 59 -0.576 4.187 -4.243 447 3HD1 ILE 59 3HD1 ILE 59 -0.333 2.445 -4.512 448 H ASN 60 H ASN 60 4.209 5.697 -6.688 449 HA ASN 60 HA ASN 60 4.873 8.461 -6.257 450 1HB ASN 60 1HB ASN 60 6.099 6.380 -7.652 451 2HB ASN 60 2HB ASN 60 5.334 7.272 -8.952 452 1HD2 ASN 60 1HD2 ASN 60 8.157 6.926 -8.224 453 2HD2 ASN 60 2HD2 ASN 60 8.831 8.511 -8.038 454 H SER 61 H SER 61 3.954 10.192 -7.538 455 HA SER 61 HA SER 61 1.429 9.482 -8.728 456 1HB SER 61 1HB SER 61 1.390 11.335 -7.162 457 2HB SER 61 2HB SER 61 2.714 12.140 -7.983 458 HG SER 61 HG SER 61 0.868 13.172 -8.708 459 H ARG 62 H ARG 62 4.506 9.404 -9.800 460 HA ARG 62 HA ARG 62 4.119 10.945 -12.186 461 1HB ARG 62 1HB ARG 62 6.364 11.099 -11.552 462 2HB ARG 62 2HB ARG 62 6.397 9.482 -10.878 463 1HG ARG 62 1HG ARG 62 6.498 8.474 -13.101 464 2HG ARG 62 2HG ARG 62 6.195 10.017 -13.875 465 1HD ARG 62 1HD ARG 62 8.443 10.522 -12.250 466 2HD ARG 62 2HD ARG 62 8.731 8.904 -12.861 467 HE ARG 62 HE ARG 62 8.630 11.384 -14.440 468 1HH1 ARG 62 2HH2 ARG 62 8.490 7.869 -14.527 469 2HH1 ARG 62 1HH2 ARG 62 8.940 7.765 -16.196 470 1HH2 ARG 62 2HH1 ARG 62 9.223 11.247 -16.643 471 2HH2 ARG 62 1HH1 ARG 62 9.360 9.699 -17.408 472 H TYR 63 H TYR 63 3.355 7.822 -11.031 473 HA TYR 63 HA TYR 63 3.110 6.842 -13.789 474 1HB TYR 63 1HB TYR 63 4.651 5.877 -11.477 475 2HB TYR 63 2HB TYR 63 3.410 4.700 -11.854 476 HD1 TYR 63 1HD TYR 63 6.660 5.915 -12.695 477 HD2 TYR 63 2HD TYR 63 3.269 3.871 -14.313 478 HE1 TYR 63 1HE TYR 63 8.107 4.978 -14.564 479 HE2 TYR 63 2HE TYR 63 4.727 2.940 -16.177 480 HH TYR 63 HH TYR 63 7.342 4.102 -17.166 481 H TRP 64 H TRP 64 2.035 6.651 -10.345 482 HA TRP 64 HA TRP 64 -0.525 5.596 -11.328 483 1HB TRP 64 1HB TRP 64 0.764 5.430 -8.598 484 2HB TRP 64 2HB TRP 64 -0.868 4.906 -8.959 485 HD1 TRP 64 HD TRP 64 -1.124 2.586 -10.347 486 HE1 TRP 64 1HE TRP 64 0.478 0.567 -10.917 487 HE3 TRP 64 3HE TRP 64 3.194 4.988 -9.146 488 HZ2 TRP 64 2HZ TRP 64 3.307 0.209 -10.804 489 HZ3 TRP 64 3HZ TRP 64 5.332 3.733 -9.405 490 HH2 TRP 64 HH TRP 64 5.433 1.424 -10.201 491 H CYS 65 H CYS 65 -2.454 6.452 -9.968 492 HA CYS 65 HA CYS 65 -3.724 8.148 -9.397 493 1HB CYS 65 1HB CYS 65 -3.156 9.222 -7.517 494 2HB CYS 65 2HB CYS 65 -1.788 8.127 -7.544 495 H ASN 66 H ASN 66 -4.189 10.530 -9.868 496 HA ASN 66 HA ASN 66 -2.343 11.673 -11.769 497 1HB ASN 66 1HB ASN 66 -4.427 10.223 -12.774 498 2HB ASN 66 2HB ASN 66 -5.258 11.747 -12.533 499 1HD2 ASN 66 1HD2 ASN 66 -1.939 10.871 -13.488 500 2HD2 ASN 66 2HD2 ASN 66 -1.892 11.766 -14.970 501 H ASP 67 H ASP 67 -3.979 13.842 -12.612 502 HA ASP 67 HA ASP 67 -4.937 14.958 -10.102 503 1HB ASP 67 1HB ASP 67 -2.753 15.950 -10.450 504 2HB ASP 67 2HB ASP 67 -3.068 16.213 -12.154 505 H GLY 68 H GLY 68 -4.589 15.537 -13.691 506 1HA GLY 68 1HA GLY 68 -6.526 15.483 -15.096 507 2HA GLY 68 2HA GLY 68 -7.471 16.173 -13.791 508 H LYS 69 H LYS 69 -4.485 17.688 -13.597 509 HA LYS 69 HA LYS 69 -5.345 19.813 -15.434 510 1HB LYS 69 1HB LYS 69 -4.671 19.892 -12.550 511 2HB LYS 69 2HB LYS 69 -3.942 21.154 -13.523 512 1HG LYS 69 1HG LYS 69 -6.049 22.000 -14.241 513 2HG LYS 69 2HG LYS 69 -6.890 20.514 -13.847 514 1HD LYS 69 1HD LYS 69 -5.711 21.403 -11.406 515 2HD LYS 69 2HD LYS 69 -6.385 22.836 -12.156 516 1HE LYS 69 1HE LYS 69 -8.572 22.078 -11.982 517 2HE LYS 69 2HE LYS 69 -8.128 20.400 -12.224 518 1HZ LYS 69 1HZ LYS 69 -7.041 21.421 -9.827 519 2HZ LYS 69 2HZ LYS 69 -8.666 21.590 -9.851 520 3HZ LYS 69 3HZ LYS 69 -7.996 20.115 -10.055 521 H THR 70 H THR 70 -3.260 17.339 -15.152 522 HA THR 70 HA THR 70 -1.231 18.754 -16.676 523 HB THR 70 HB THR 70 -0.573 18.867 -14.213 524 HG1 THR 70 1HG THR 70 0.867 18.601 -16.221 525 1HG2 THR 70 1HG2 THR 70 -1.485 16.320 -13.952 526 2HG2 THR 70 2HG2 THR 70 0.196 15.963 -14.414 527 3HG2 THR 70 3HG2 THR 70 -0.140 16.942 -12.966 528 HA PRO 71 HA PRO 71 -2.156 14.842 -18.530 529 1HB PRO 71 1HB PRO 71 -1.999 15.692 -21.122 530 2HB PRO 71 2HB PRO 71 -3.491 15.686 -20.203 531 1HG PRO 71 1HG PRO 71 -1.773 17.978 -20.936 532 2HG PRO 71 2HG PRO 71 -3.444 17.984 -20.407 533 1HD PRO 71 1HD PRO 71 -1.145 18.675 -18.837 534 2HD PRO 71 2HD PRO 71 -2.802 18.568 -18.277 535 H ARG 72 H ARG 72 -0.004 14.554 -17.339 536 HA ARG 72 HA ARG 72 1.883 14.060 -19.486 537 1HB ARG 72 1HB ARG 72 2.210 15.967 -17.330 538 2HB ARG 72 2HB ARG 72 3.359 14.668 -17.079 539 1HG ARG 72 1HG ARG 72 4.485 15.076 -19.102 540 2HG ARG 72 2HG ARG 72 3.080 15.789 -19.868 541 1HD ARG 72 1HD ARG 72 3.489 17.893 -18.994 542 2HD ARG 72 2HD ARG 72 4.093 17.264 -17.473 543 HE ARG 72 HE ARG 72 6.016 16.515 -19.370 544 1HH1 ARG 72 2HH2 ARG 72 4.611 19.542 -18.252 545 2HH1 ARG 72 1HH2 ARG 72 6.031 20.474 -18.591 546 1HH2 ARG 72 2HH1 ARG 72 7.890 17.744 -19.817 547 2HH2 ARG 72 1HH1 ARG 72 7.908 19.445 -19.487 548 H ALA 73 H ALA 73 1.073 13.563 -15.978 549 HA ALA 73 HA ALA 73 2.622 11.262 -15.644 550 1HB ALA 73 1HB ALA 73 0.834 10.924 -13.740 551 2HB ALA 73 2HB ALA 73 1.949 12.311 -13.671 552 3HB ALA 73 3HB ALA 73 0.278 12.540 -14.239 553 H VAL 74 H VAL 74 2.079 9.025 -15.696 554 HA VAL 74 HA VAL 74 -0.205 8.476 -17.451 555 HB VAL 74 HB VAL 74 1.943 7.863 -18.359 556 1HG1 VAL 74 1HG1 VAL 74 2.743 5.693 -16.677 557 2HG1 VAL 74 2HG1 VAL 74 3.634 7.181 -17.077 558 3HG1 VAL 74 3HG1 VAL 74 2.552 7.145 -15.664 559 1HG2 VAL 74 1HG2 VAL 74 -0.096 5.841 -17.671 560 2HG2 VAL 74 2HG2 VAL 74 0.604 6.280 -19.247 561 3HG2 VAL 74 3HG2 VAL 74 1.480 5.175 -18.162 562 H ASN 75 H ASN 75 -1.242 8.973 -15.105 563 HA ASN 75 HA ASN 75 -1.090 7.399 -13.005 564 1HB ASN 75 1HB ASN 75 -3.616 7.666 -12.769 565 2HB ASN 75 2HB ASN 75 -2.773 9.160 -13.126 566 1HD2 ASN 75 1HD2 ASN 75 -5.477 8.790 -13.584 567 2HD2 ASN 75 2HD2 ASN 75 -5.809 8.834 -15.284 568 H ALA 76 H ALA 76 -0.591 5.168 -13.248 569 HA ALA 76 HA ALA 76 -2.068 3.576 -15.138 570 1HB ALA 76 1HB ALA 76 -0.044 2.583 -15.071 571 2HB ALA 76 2HB ALA 76 0.390 3.404 -13.552 572 3HB ALA 76 3HB ALA 76 -0.545 1.891 -13.510 573 H CYS 77 H CYS 77 -2.502 4.720 -11.925 574 HA CYS 77 HA CYS 77 -3.990 2.383 -11.097 575 1HB CYS 77 1HB CYS 77 -2.443 3.893 -9.634 576 2HB CYS 77 2HB CYS 77 -3.835 4.953 -9.553 577 H GLY 78 H GLY 78 -4.393 5.745 -12.263 578 1HA GLY 78 1HA GLY 78 -6.185 6.805 -13.119 579 2HA GLY 78 2HA GLY 78 -7.031 5.271 -13.170 580 H ILE 79 H ILE 79 -5.714 7.382 -10.509 581 HA ILE 79 HA ILE 79 -8.411 7.703 -9.499 582 HB ILE 79 HB ILE 79 -8.216 6.566 -7.572 583 1HG1 ILE 79 1HG1 ILE 79 -6.263 7.941 -6.823 584 2HG1 ILE 79 2HG1 ILE 79 -6.268 6.291 -6.232 585 1HG2 ILE 79 1HG2 ILE 79 -6.174 5.077 -9.247 586 2HG2 ILE 79 2HG2 ILE 79 -7.097 4.416 -7.875 587 3HG2 ILE 79 3HG2 ILE 79 -7.944 4.916 -9.358 588 1HD1 ILE 79 1HD1 ILE 79 -4.127 7.502 -7.483 589 2HD1 ILE 79 2HD1 ILE 79 -4.365 5.742 -7.375 590 3HD1 ILE 79 3HD1 ILE 79 -4.878 6.620 -8.835 591 H ASN 80 H ASN 80 -8.536 9.437 -7.866 592 HA ASN 80 HA ASN 80 -6.969 11.583 -8.618 593 1HB ASN 80 1HB ASN 80 -9.128 11.015 -6.705 594 2HB ASN 80 2HB ASN 80 -7.978 12.141 -6.013 595 1HD2 ASN 80 1HD2 ASN 80 -10.641 11.765 -7.982 596 2HD2 ASN 80 2HD2 ASN 80 -10.669 13.304 -8.776 597 H CYS 81 H CYS 81 -4.987 12.359 -7.801 598 HA CYS 81 HA CYS 81 -3.359 10.722 -6.316 599 1HB CYS 81 1HB CYS 81 -3.290 13.646 -6.983 600 2HB CYS 81 2HB CYS 81 -2.097 12.970 -5.891 601 H SER 82 H SER 82 -5.453 13.512 -5.345 602 HA SER 82 HA SER 82 -4.674 13.691 -2.739 603 1HB SER 82 1HB SER 82 -6.590 14.881 -4.349 604 2HB SER 82 2HB SER 82 -7.589 14.027 -3.191 605 HG SER 82 HG SER 82 -6.948 16.254 -2.566 606 H ALA 83 H ALA 83 -6.451 11.165 -4.377 607 HA ALA 83 HA ALA 83 -7.951 10.177 -2.227 608 1HB ALA 83 1HB ALA 83 -6.786 8.429 -4.393 609 2HB ALA 83 2HB ALA 83 -8.405 8.385 -3.656 610 3HB ALA 83 3HB ALA 83 -7.987 9.677 -4.806 611 H LEU 84 H LEU 84 -4.526 10.150 -2.966 612 HA LEU 84 HA LEU 84 -4.082 7.964 -1.085 613 1HB LEU 84 1HB LEU 84 -2.206 9.412 -2.960 614 2HB LEU 84 2HB LEU 84 -1.746 8.107 -1.883 615 HG LEU 84 HG LEU 84 -3.799 7.841 -4.096 616 1HD1 LEU 84 1HD1 LEU 84 -1.994 8.026 -5.433 617 2HD1 LEU 84 2HD1 LEU 84 -0.845 7.661 -4.124 618 3HD1 LEU 84 3HD1 LEU 84 -1.716 6.339 -4.936 619 1HD2 LEU 84 1HD2 LEU 84 -4.335 5.926 -3.115 620 2HD2 LEU 84 2HD2 LEU 84 -2.677 5.350 -3.418 621 3HD2 LEU 84 3HD2 LEU 84 -3.073 6.152 -1.878 622 H LEU 85 H LEU 85 -4.954 10.988 -0.661 623 HA LEU 85 HA LEU 85 -3.042 11.378 1.522 624 1HB LEU 85 1HB LEU 85 -3.091 12.927 -0.778 625 2HB LEU 85 2HB LEU 85 -4.030 13.865 0.366 626 HG LEU 85 HG LEU 85 -1.218 12.841 0.847 627 1HD1 LEU 85 1HD1 LEU 85 -0.533 14.550 -0.394 628 2HD1 LEU 85 2HD1 LEU 85 -2.195 15.155 -0.587 629 3HD1 LEU 85 3HD1 LEU 85 -1.230 15.643 0.827 630 1HD2 LEU 85 1HD2 LEU 85 -1.207 14.134 2.857 631 2HD2 LEU 85 2HD2 LEU 85 -2.809 14.819 2.496 632 3HD2 LEU 85 3HD2 LEU 85 -2.647 13.089 2.887 633 H GLN 86 H GLN 86 -5.725 10.097 1.330 634 HA GLN 86 HA GLN 86 -7.363 12.080 2.654 635 1HB GLN 86 1HB GLN 86 -8.134 9.229 1.916 636 2HB GLN 86 2HB GLN 86 -9.213 10.554 2.305 637 1HG GLN 86 1HG GLN 86 -7.699 11.607 0.206 638 2HG GLN 86 2HG GLN 86 -7.854 9.923 -0.250 639 1HE2 GLN 86 1HE2 GLN 86 -9.567 9.384 -1.354 640 2HE2 GLN 86 2HE2 GLN 86 -11.095 10.198 -1.392 641 H ASP 87 H ASP 87 -8.937 10.236 4.243 642 HA ASP 87 HA ASP 87 -7.061 9.934 6.395 643 1HB ASP 87 1HB ASP 87 -9.560 9.010 7.273 644 2HB ASP 87 2HB ASP 87 -8.907 10.618 7.522 645 H ASP 88 H ASP 88 -9.792 7.961 4.978 646 HA ASP 88 HA ASP 88 -8.893 5.586 6.109 647 1HB ASP 88 1HB ASP 88 -10.413 4.620 4.158 648 2HB ASP 88 2HB ASP 88 -11.138 5.491 5.494 649 H ILE 89 H ILE 89 -8.030 3.654 4.876 650 HA ILE 89 HA ILE 89 -6.158 4.542 2.824 651 HB ILE 89 HB ILE 89 -4.932 2.551 3.308 652 1HG1 ILE 89 1HG1 ILE 89 -7.158 1.741 5.201 653 2HG1 ILE 89 2HG1 ILE 89 -6.903 1.054 3.610 654 1HG2 ILE 89 1HG2 ILE 89 -5.694 4.441 5.420 655 2HG2 ILE 89 2HG2 ILE 89 -5.012 2.913 6.027 656 3HG2 ILE 89 3HG2 ILE 89 -4.087 3.905 4.874 657 1HD1 ILE 89 1HD1 ILE 89 -5.591 -0.460 4.707 658 2HD1 ILE 89 2HD1 ILE 89 -4.369 0.834 4.694 659 3HD1 ILE 89 3HD1 ILE 89 -5.400 0.598 6.125 660 H THR 90 H THR 90 -9.278 3.704 2.807 661 HA THR 90 HA THR 90 -9.662 1.468 1.317 662 HB THR 90 HB THR 90 -11.033 3.977 1.919 663 HG1 THR 90 1HG THR 90 -12.721 2.374 1.953 664 1HG2 THR 90 1HG2 THR 90 -11.761 2.656 -0.741 665 2HG2 THR 90 2HG2 THR 90 -12.532 4.075 0.008 666 3HG2 THR 90 3HG2 THR 90 -10.881 4.200 -0.645 667 H ALA 91 H ALA 91 -8.418 4.635 0.176 668 HA ALA 91 HA ALA 91 -8.468 3.847 -2.557 669 1HB ALA 91 1HB ALA 91 -6.686 6.004 -1.430 670 2HB ALA 91 2HB ALA 91 -7.604 5.978 -2.955 671 3HB ALA 91 3HB ALA 91 -8.453 6.216 -1.409 672 H ALA 92 H ALA 92 -6.099 3.756 0.137 673 HA ALA 92 HA ALA 92 -3.860 3.126 -1.415 674 1HB ALA 92 1HB ALA 92 -3.600 1.892 1.116 675 2HB ALA 92 2HB ALA 92 -3.016 3.503 0.633 676 3HB ALA 92 3HB ALA 92 -4.623 3.325 1.378 677 H ILE 93 H ILE 93 -6.524 1.164 -0.030 678 HA ILE 93 HA ILE 93 -5.256 -1.310 -0.683 679 HB ILE 93 HB ILE 93 -8.134 -0.726 0.020 680 1HG1 ILE 93 1HG1 ILE 93 -5.731 -1.243 1.788 681 2HG1 ILE 93 2HG1 ILE 93 -6.751 0.181 1.762 682 1HG2 ILE 93 1HG2 ILE 93 -7.405 -2.986 -1.043 683 2HG2 ILE 93 2HG2 ILE 93 -6.684 -3.302 0.553 684 3HG2 ILE 93 3HG2 ILE 93 -8.430 -2.986 0.412 685 1HD1 ILE 93 1HD1 ILE 93 -7.438 -2.608 2.746 686 2HD1 ILE 93 2HD1 ILE 93 -7.556 -1.060 3.617 687 3HD1 ILE 93 3HD1 ILE 93 -8.716 -1.444 2.323 688 H GLN 94 H GLN 94 -8.054 0.575 -2.028 689 HA GLN 94 HA GLN 94 -8.574 -1.120 -4.106 690 1HB GLN 94 1HB GLN 94 -9.897 0.930 -3.284 691 2HB GLN 94 2HB GLN 94 -8.821 1.910 -4.261 692 1HG GLN 94 1HG GLN 94 -10.006 -0.446 -5.666 693 2HG GLN 94 2HG GLN 94 -11.157 0.786 -5.187 694 1HE2 GLN 94 1HE2 GLN 94 -9.867 -0.151 -7.787 695 2HE2 GLN 94 2HE2 GLN 94 -9.358 1.299 -8.587 696 H CYS 95 H CYS 95 -6.260 1.648 -3.906 697 HA CYS 95 HA CYS 95 -5.488 1.472 -6.607 698 1HB CYS 95 1HB CYS 95 -5.237 3.436 -4.986 699 2HB CYS 95 2HB CYS 95 -3.821 2.611 -4.367 700 H ALA 96 H ALA 96 -3.996 0.386 -3.469 701 HA ALA 96 HA ALA 96 -1.728 -0.769 -4.364 702 1HB ALA 96 1HB ALA 96 -2.139 -0.721 -2.037 703 2HB ALA 96 2HB ALA 96 -3.702 -1.557 -2.204 704 3HB ALA 96 3HB ALA 96 -2.183 -2.453 -2.447 705 H LYS 97 H LYS 97 -5.060 -2.172 -4.435 706 HA LYS 97 HA LYS 97 -4.147 -4.603 -5.610 707 1HB LYS 97 1HB LYS 97 -6.485 -5.182 -5.712 708 2HB LYS 97 2HB LYS 97 -6.135 -4.463 -4.153 709 1HG LYS 97 1HG LYS 97 -7.182 -2.389 -4.739 710 2HG LYS 97 2HG LYS 97 -7.148 -2.752 -6.453 711 1HD LYS 97 1HD LYS 97 -8.655 -4.844 -5.694 712 2HD LYS 97 2HD LYS 97 -9.008 -3.811 -4.323 713 1HE LYS 97 1HE LYS 97 -10.323 -2.416 -5.567 714 2HE LYS 97 2HE LYS 97 -9.157 -2.336 -6.872 715 1HZ LYS 97 1HZ LYS 97 -10.295 -4.891 -6.776 716 2HZ LYS 97 2HZ LYS 97 -11.487 -3.775 -6.821 717 3HZ LYS 97 3HZ LYS 97 -10.342 -3.796 -7.987 718 H ARG 98 H ARG 98 -5.581 -1.514 -6.767 719 HA ARG 98 HA ARG 98 -5.987 -2.358 -9.364 720 1HB ARG 98 1HB ARG 98 -6.935 -0.263 -8.371 721 2HB ARG 98 2HB ARG 98 -5.333 0.444 -8.318 722 1HG ARG 98 1HG ARG 98 -5.562 1.152 -10.457 723 2HG ARG 98 2HG ARG 98 -5.731 -0.507 -10.998 724 1HD ARG 98 1HD ARG 98 -8.210 -0.361 -10.325 725 2HD ARG 98 2HD ARG 98 -7.967 1.356 -10.074 726 HE ARG 98 HE ARG 98 -6.947 0.805 -12.645 727 1HH1 ARG 98 2HH2 ARG 98 -10.051 0.591 -11.001 728 2HH1 ARG 98 1HH2 ARG 98 -10.977 0.838 -12.444 729 1HH2 ARG 98 2HH1 ARG 98 -8.168 1.131 -14.550 730 2HH2 ARG 98 1HH1 ARG 98 -9.899 1.148 -14.476 731 H VAL 99 H VAL 99 -3.084 -1.511 -7.583 732 HA VAL 99 HA VAL 99 -1.560 -0.998 -9.996 733 HB VAL 99 HB VAL 99 -0.974 -0.941 -7.039 734 1HG1 VAL 99 1HG1 VAL 99 0.913 -1.160 -9.312 735 2HG1 VAL 99 2HG1 VAL 99 1.267 0.136 -8.145 736 3HG1 VAL 99 3HG1 VAL 99 1.134 -1.550 -7.589 737 1HG2 VAL 99 1HG2 VAL 99 -1.701 1.015 -9.093 738 2HG2 VAL 99 2HG2 VAL 99 -1.749 1.144 -7.318 739 3HG2 VAL 99 3HG2 VAL 99 -0.235 1.471 -8.194 740 H VAL 100 H VAL 100 -1.444 -3.302 -7.181 741 HA VAL 100 HA VAL 100 0.470 -4.977 -8.228 742 HB VAL 100 HB VAL 100 -0.951 -4.809 -5.943 743 1HG1 VAL 100 1HG1 VAL 100 -2.463 -6.554 -5.612 744 2HG1 VAL 100 2HG1 VAL 100 -2.866 -5.989 -7.251 745 3HG1 VAL 100 3HG1 VAL 100 -1.887 -7.460 -7.032 746 1HG2 VAL 100 1HG2 VAL 100 0.055 -7.432 -5.892 747 2HG2 VAL 100 2HG2 VAL 100 1.069 -6.560 -7.067 748 3HG2 VAL 100 3HG2 VAL 100 0.897 -5.941 -5.407 749 H ARG 101 H ARG 101 -2.990 -4.650 -8.987 750 HA ARG 101 HA ARG 101 -3.584 -7.006 -10.067 751 1HB ARG 101 1HB ARG 101 -4.421 -4.222 -10.471 752 2HB ARG 101 2HB ARG 101 -4.569 -5.130 -11.963 753 1HG ARG 101 1HG ARG 101 -5.946 -6.840 -10.848 754 2HG ARG 101 2HG ARG 101 -5.691 -6.086 -9.288 755 1HD ARG 101 1HD ARG 101 -7.823 -5.274 -9.931 756 2HD ARG 101 2HD ARG 101 -6.756 -3.948 -10.349 757 HE ARG 101 HE ARG 101 -8.164 -5.729 -12.227 758 1HH1 ARG 101 2HH2 ARG 101 -5.609 -3.345 -11.811 759 2HH1 ARG 101 1HH2 ARG 101 -5.562 -2.915 -13.489 760 1HH2 ARG 101 2HH1 ARG 101 -8.102 -5.161 -14.441 761 2HH2 ARG 101 1HH1 ARG 101 -6.989 -3.955 -14.994 762 H ASP 102 H ASP 102 -1.267 -4.616 -11.272 763 HA ASP 102 HA ASP 102 -1.155 -5.222 -13.907 764 1HB ASP 102 1HB ASP 102 0.510 -3.937 -11.938 765 2HB ASP 102 2HB ASP 102 1.547 -4.978 -12.892 766 HA PRO 103 HA PRO 103 0.919 -9.093 -14.161 767 1HB PRO 103 1HB PRO 103 3.001 -8.784 -15.903 768 2HB PRO 103 2HB PRO 103 1.334 -8.943 -16.420 769 1HG PRO 103 1HG PRO 103 3.024 -6.519 -16.333 770 2HG PRO 103 2HG PRO 103 1.538 -6.789 -17.221 771 1HD PRO 103 1HD PRO 103 1.840 -5.278 -14.802 772 2HD PRO 103 2HD PRO 103 0.338 -5.646 -15.628 773 H GLN 104 H GLN 104 2.954 -6.484 -13.212 774 HA GLN 104 HA GLN 104 5.198 -7.862 -12.534 775 1HB GLN 104 1HB GLN 104 5.255 -6.017 -10.608 776 2HB GLN 104 2HB GLN 104 5.456 -5.575 -12.292 777 1HG GLN 104 1HG GLN 104 3.409 -4.521 -12.408 778 2HG GLN 104 2HG GLN 104 2.620 -5.707 -11.386 779 1HE2 GLN 104 1HE2 GLN 104 1.890 -4.914 -9.581 780 2HE2 GLN 104 2HE2 GLN 104 2.596 -3.663 -8.612 781 H GLY 105 H GLY 105 3.308 -6.618 -9.763 782 1HA GLY 105 1HA GLY 105 2.013 -8.262 -8.423 783 2HA GLY 105 2HA GLY 105 3.387 -9.336 -8.596 784 H ILE 106 H ILE 106 2.436 -8.579 -6.047 785 HA ILE 106 HA ILE 106 3.374 -6.398 -4.816 786 HB ILE 106 HB ILE 106 3.055 -9.241 -4.016 787 1HG1 ILE 106 1HG1 ILE 106 1.219 -7.466 -4.165 788 2HG1 ILE 106 2HG1 ILE 106 1.302 -8.429 -2.702 789 1HG2 ILE 106 1HG2 ILE 106 4.807 -7.303 -2.601 790 2HG2 ILE 106 2HG2 ILE 106 3.659 -8.230 -1.607 791 3HG2 ILE 106 3HG2 ILE 106 4.839 -9.082 -2.631 792 1HD1 ILE 106 1HD1 ILE 106 2.981 -6.000 -2.564 793 2HD1 ILE 106 2HD1 ILE 106 1.250 -5.652 -2.794 794 3HD1 ILE 106 3HD1 ILE 106 1.786 -6.622 -1.400 795 H ARG 107 H ARG 107 5.294 -9.002 -6.248 796 HA ARG 107 HA ARG 107 7.603 -8.946 -5.020 797 1HB ARG 107 1HB ARG 107 6.901 -9.955 -7.352 798 2HB ARG 107 2HB ARG 107 7.583 -8.490 -8.030 799 1HG ARG 107 1HG ARG 107 9.404 -9.644 -6.049 800 2HG ARG 107 2HG ARG 107 8.988 -10.835 -7.264 801 1HD ARG 107 1HD ARG 107 9.552 -8.174 -8.431 802 2HD ARG 107 2HD ARG 107 10.915 -8.820 -7.541 803 HE ARG 107 HE ARG 107 10.039 -10.978 -9.067 804 1HH1 ARG 107 2HH2 ARG 107 11.048 -7.684 -9.785 805 2HH1 ARG 107 1HH2 ARG 107 11.653 -8.076 -11.359 806 1HH2 ARG 107 2HH1 ARG 107 10.839 -11.496 -11.143 807 2HH2 ARG 107 1HH1 ARG 107 11.534 -10.260 -12.137 808 H ALA 108 H ALA 108 6.259 -6.289 -7.021 809 HA ALA 108 HA ALA 108 8.392 -4.708 -7.478 810 1HB ALA 108 1HB ALA 108 5.706 -3.748 -6.415 811 2HB ALA 108 2HB ALA 108 6.826 -2.857 -7.473 812 3HB ALA 108 3HB ALA 108 5.982 -4.300 -8.084 813 H TRP 109 H TRP 109 6.757 -5.328 -4.352 814 HA TRP 109 HA TRP 109 8.532 -3.412 -3.053 815 1HB TRP 109 1HB TRP 109 6.163 -4.990 -2.034 816 2HB TRP 109 2HB TRP 109 7.143 -3.921 -1.050 817 HD1 TRP 109 HD TRP 109 6.944 -1.217 -1.644 818 HE1 TRP 109 1HE TRP 109 5.034 0.259 -2.710 819 HE3 TRP 109 3HE TRP 109 4.386 -5.091 -3.718 820 HZ2 TRP 109 2HZ TRP 109 2.719 -0.346 -4.267 821 HZ3 TRP 109 3HZ TRP 109 2.311 -4.562 -4.994 822 HH2 TRP 109 HH TRP 109 1.470 -2.285 -5.285 823 H VAL 110 H VAL 110 9.994 -5.425 -4.208 824 HA VAL 110 HA VAL 110 10.310 -7.826 -3.080 825 HB VAL 110 HB VAL 110 11.643 -6.798 -4.906 826 1HG1 VAL 110 1HG1 VAL 110 13.818 -5.666 -4.123 827 2HG1 VAL 110 2HG1 VAL 110 12.323 -4.699 -4.092 828 3HG1 VAL 110 3HG1 VAL 110 12.968 -5.390 -2.583 829 1HG2 VAL 110 1HG2 VAL 110 13.925 -7.818 -3.904 830 2HG2 VAL 110 2HG2 VAL 110 12.770 -8.466 -2.714 831 3HG2 VAL 110 3HG2 VAL 110 12.562 -8.827 -4.445 832 H ALA 111 H ALA 111 10.906 -4.679 -1.556 833 HA ALA 111 HA ALA 111 12.585 -5.209 0.464 834 1HB ALA 111 1HB ALA 111 11.262 -3.089 -0.063 835 2HB ALA 111 2HB ALA 111 9.925 -3.799 0.873 836 3HB ALA 111 3HB ALA 111 11.482 -3.457 1.664 837 H TRP 112 H TRP 112 9.046 -6.021 0.425 838 HA TRP 112 HA TRP 112 8.973 -7.196 2.934 839 1HB TRP 112 1HB TRP 112 6.848 -7.122 2.345 840 2HB TRP 112 2HB TRP 112 7.257 -6.908 0.655 841 HD1 TRP 112 HD TRP 112 7.104 -9.098 -0.916 842 HE1 TRP 112 1HE TRP 112 6.108 -11.528 -0.667 843 HE3 TRP 112 3HE TRP 112 6.562 -8.924 4.136 844 HZ2 TRP 112 2HZ TRP 112 5.224 -13.071 1.565 845 HZ3 TRP 112 3HZ TRP 112 5.625 -10.935 5.273 846 HH2 TRP 112 HH TRP 112 4.965 -12.958 4.071 847 H ARG 113 H ARG 113 9.659 -8.564 -0.352 848 HA ARG 113 HA ARG 113 9.986 -11.164 0.600 849 1HB ARG 113 1HB ARG 113 9.619 -10.235 -1.848 850 2HB ARG 113 2HB ARG 113 11.365 -10.090 -1.890 851 1HG ARG 113 1HG ARG 113 11.579 -12.518 -1.316 852 2HG ARG 113 2HG ARG 113 9.833 -12.663 -1.278 853 1HD ARG 113 1HD ARG 113 10.534 -11.414 -3.780 854 2HD ARG 113 2HD ARG 113 11.594 -12.793 -3.571 855 HE ARG 113 HE ARG 113 8.684 -12.863 -3.949 856 1HH1 ARG 113 2HH2 ARG 113 11.497 -14.639 -2.805 857 2HH1 ARG 113 1HH2 ARG 113 10.752 -16.191 -2.991 858 1HH2 ARG 113 2HH1 ARG 113 7.700 -14.910 -4.194 859 2HH2 ARG 113 1HH1 ARG 113 8.576 -16.347 -3.785 860 H ALA 114 H ALA 114 11.839 -8.383 1.111 861 HA ALA 114 HA ALA 114 14.254 -10.004 1.544 862 1HB ALA 114 1HB ALA 114 15.350 -7.612 1.195 863 2HB ALA 114 2HB ALA 114 14.948 -8.640 -0.201 864 3HB ALA 114 3HB ALA 114 13.863 -7.309 0.266 865 H HIS 115 H HIS 115 11.965 -9.555 3.346 866 HA HIS 115 HA HIS 115 13.491 -8.458 5.523 867 1HB HIS 115 1HB HIS 115 11.923 -6.673 4.217 868 2HB HIS 115 2HB HIS 115 10.756 -7.317 5.354 869 HD1 HIS 115 1HD HIS 115 10.711 -6.177 7.574 870 HD2 HIS 115 2HD HIS 115 14.433 -5.791 5.679 871 HE1 HIS 115 1HE HIS 115 12.127 -4.674 9.076 872 HE2 HIS 115 2HE HIS 115 14.419 -4.518 7.886 873 H CYS 116 H CYS 116 10.242 -9.637 4.414 874 HA CYS 116 HA CYS 116 9.903 -10.973 6.951 875 1HB CYS 116 1HB CYS 116 8.173 -10.224 4.676 876 2HB CYS 116 2HB CYS 116 7.775 -11.749 5.445 877 H GLN 117 H GLN 117 9.934 -11.790 3.400 878 HA GLN 117 HA GLN 117 9.730 -14.397 3.399 879 1HB GLN 117 1HB GLN 117 10.267 -12.931 1.425 880 2HB GLN 117 2HB GLN 117 11.950 -12.924 1.913 881 1HG GLN 117 1HG GLN 117 12.213 -14.813 0.680 882 2HG GLN 117 2HG GLN 117 11.298 -15.654 1.916 883 1HE2 GLN 117 1HE2 GLN 117 11.191 -16.668 -0.516 884 2HE2 GLN 117 2HE2 GLN 117 9.674 -16.385 -1.301 885 H ASN 118 H ASN 118 12.471 -12.585 4.760 886 HA ASN 118 HA ASN 118 14.385 -14.477 4.861 887 1HB ASN 118 1HB ASN 118 14.266 -12.005 5.819 888 2HB ASN 118 2HB ASN 118 13.768 -12.777 7.312 889 1HD2 ASN 118 1HD2 ASN 118 15.333 -13.100 8.678 890 2HD2 ASN 118 2HD2 ASN 118 16.986 -13.478 8.324 891 H ARG 119 H ARG 119 11.756 -13.823 7.305 892 HA ARG 119 HA ARG 119 12.027 -16.603 8.108 893 1HB ARG 119 1HB ARG 119 12.894 -14.624 9.732 894 2HB ARG 119 2HB ARG 119 11.194 -14.540 10.150 895 1HG ARG 119 1HG ARG 119 11.703 -17.292 10.190 896 2HG ARG 119 2HG ARG 119 13.192 -16.616 10.819 897 1HD ARG 119 1HD ARG 119 11.839 -15.262 12.473 898 2HD ARG 119 2HD ARG 119 10.383 -16.038 11.879 899 HE ARG 119 HE ARG 119 12.485 -17.278 13.537 900 1HH1 ARG 119 2HH2 ARG 119 9.660 -17.797 11.503 901 2HH1 ARG 119 1HH2 ARG 119 9.317 -19.364 12.159 902 1HH2 ARG 119 2HH1 ARG 119 12.032 -19.344 14.403 903 2HH2 ARG 119 1HH1 ARG 119 10.676 -20.249 13.820 904 H ASP 120 H ASP 120 9.885 -16.649 9.990 905 HA ASP 120 HA ASP 120 7.688 -16.305 8.151 906 1HB ASP 120 1HB ASP 120 8.150 -18.463 9.475 907 2HB ASP 120 2HB ASP 120 7.684 -17.588 10.919 908 H LEU 121 H LEU 121 6.881 -14.180 8.295 909 HA LEU 121 HA LEU 121 6.695 -12.985 10.951 910 1HB LEU 121 1HB LEU 121 7.779 -11.873 8.901 911 2HB LEU 121 2HB LEU 121 6.143 -11.632 8.322 912 HG LEU 121 HG LEU 121 6.259 -10.711 11.029 913 1HD1 LEU 121 1HD1 LEU 121 8.714 -10.583 10.636 914 2HD1 LEU 121 2HD1 LEU 121 8.401 -9.460 9.290 915 3HD1 LEU 121 3HD1 LEU 121 7.950 -9.006 10.951 916 1HD2 LEU 121 1HD2 LEU 121 5.029 -9.045 10.178 917 2HD2 LEU 121 2HD2 LEU 121 6.210 -8.689 8.895 918 3HD2 LEU 121 3HD2 LEU 121 5.036 -10.010 8.682 919 H SER 122 H SER 122 4.960 -15.234 9.713 920 HA SER 122 HA SER 122 2.468 -14.064 9.213 921 1HB SER 122 1HB SER 122 3.503 -16.837 9.749 922 2HB SER 122 2HB SER 122 1.778 -16.576 9.919 923 HG SER 122 HG SER 122 2.357 -17.223 7.748 924 H GLN 123 H GLN 123 4.310 -14.615 12.098 925 HA GLN 123 HA GLN 123 2.089 -14.967 13.821 926 1HB GLN 123 1HB GLN 123 4.456 -15.776 14.265 927 2HB GLN 123 2HB GLN 123 4.928 -14.109 14.530 928 1HG GLN 123 1HG GLN 123 4.365 -14.496 16.709 929 2HG GLN 123 2HG GLN 123 2.712 -14.279 16.168 930 1HE2 GLN 123 1HE2 GLN 123 4.219 -16.029 18.191 931 2HE2 GLN 123 2HE2 GLN 123 3.573 -17.620 17.965 932 H TYR 124 H TYR 124 3.255 -12.329 12.053 933 HA TYR 124 HA TYR 124 2.912 -10.288 14.015 934 1HB TYR 124 1HB TYR 124 4.160 -10.555 11.596 935 2HB TYR 124 2HB TYR 124 2.628 -9.948 11.000 936 HD1 TYR 124 1HD TYR 124 2.844 -7.724 10.380 937 HD2 TYR 124 2HD TYR 124 4.736 -9.050 13.981 938 HE1 TYR 124 1HE TYR 124 3.604 -5.348 10.864 939 HE2 TYR 124 2HE TYR 124 5.490 -6.669 14.452 940 HH TYR 124 HH TYR 124 4.204 -4.098 13.237 941 H ILE 125 H ILE 125 0.821 -12.041 11.750 942 HA ILE 125 HA ILE 125 -1.321 -10.121 12.302 943 HB ILE 125 HB ILE 125 -2.455 -11.404 10.417 944 1HG1 ILE 125 1HG1 ILE 125 0.205 -12.170 9.362 945 2HG1 ILE 125 2HG1 ILE 125 -0.389 -13.163 10.678 946 1HG2 ILE 125 1HG2 ILE 125 -1.932 -9.350 9.663 947 2HG2 ILE 125 2HG2 ILE 125 -0.269 -9.420 10.293 948 3HG2 ILE 125 3HG2 ILE 125 -0.672 -10.217 8.753 949 1HD1 ILE 125 1HD1 ILE 125 -1.806 -12.572 8.043 950 2HD1 ILE 125 2HD1 ILE 125 -1.190 -14.142 8.612 951 3HD1 ILE 125 3HD1 ILE 125 -2.590 -13.392 9.415 952 H ARG 126 H ARG 126 -0.154 -13.422 12.805 953 HA ARG 126 HA ARG 126 -2.643 -14.449 13.581 954 1HB ARG 126 1HB ARG 126 -0.703 -15.859 12.840 955 2HB ARG 126 2HB ARG 126 0.185 -15.394 14.278 956 1HG ARG 126 1HG ARG 126 -0.722 -17.281 15.198 957 2HG ARG 126 2HG ARG 126 -2.155 -16.294 15.414 958 1HD ARG 126 1HD ARG 126 -2.546 -17.092 12.825 959 2HD ARG 126 2HD ARG 126 -1.623 -18.462 13.411 960 HE ARG 126 HE ARG 126 -3.799 -17.655 15.211 961 1HH1 ARG 126 2HH2 ARG 126 -2.912 -19.648 12.450 962 2HH1 ARG 126 1HH2 ARG 126 -4.222 -20.761 12.670 963 1HH2 ARG 126 2HH1 ARG 126 -5.525 -19.123 15.504 964 2HH2 ARG 126 1HH1 ARG 126 -5.718 -20.461 14.419 965 H ASN 127 H ASN 127 -3.745 -14.047 15.475 966 HA ASN 127 HA ASN 127 -4.064 -13.836 17.644 967 1HB ASN 127 1HB ASN 127 -1.648 -14.861 17.912 968 2HB ASN 127 2HB ASN 127 -1.124 -13.206 18.153 969 1HD2 ASN 127 1HD2 ASN 127 -0.590 -13.285 20.249 970 2HD2 ASN 127 2HD2 ASN 127 -1.684 -13.588 21.556 971 H CYS 128 H CYS 128 -3.810 -11.736 15.472 972 HA CYS 128 HA CYS 128 -2.982 -9.414 17.019 973 1HB CYS 128 1HB CYS 128 -2.493 -10.064 14.427 974 2HB CYS 128 2HB CYS 128 -3.923 -9.070 14.238 975 H GLY 129 H GLY 129 -5.758 -11.133 15.600 976 1HA GLY 129 1HA GLY 129 -7.870 -10.814 16.743 977 2HA GLY 129 2HA GLY 129 -7.549 -9.091 16.772 978 H VAL 130 H VAL 130 -6.871 -11.303 14.012 979 HA VAL 130 HA VAL 130 -8.536 -9.604 12.353 980 HB VAL 130 HB VAL 130 -6.142 -10.430 11.868 981 1HG1 VAL 130 1HG1 VAL 130 -6.537 -12.807 12.350 982 2HG1 VAL 130 2HG1 VAL 130 -7.708 -12.888 11.013 983 3HG1 VAL 130 3HG1 VAL 130 -5.990 -12.569 10.673 984 1HG2 VAL 130 1HG2 VAL 130 -8.163 -9.509 10.282 985 2HG2 VAL 130 2HG2 VAL 130 -6.503 -9.826 9.722 986 3HG2 VAL 130 3HG2 VAL 130 -7.773 -11.050 9.481 Start of MODEL 16 1 H LYS 1 H LYS 1 -5.496 9.736 9.626 2 HA LYS 1 HA LYS 1 -5.639 8.651 12.122 3 1HB LYS 1 1HB LYS 1 -6.762 8.177 9.612 4 2HB LYS 1 2HB LYS 1 -6.002 6.653 10.024 5 1HG LYS 1 1HG LYS 1 -7.220 7.506 12.434 6 2HG LYS 1 2HG LYS 1 -8.385 7.911 11.190 7 1HD LYS 1 1HD LYS 1 -9.026 5.734 11.201 8 2HD LYS 1 2HD LYS 1 -7.494 5.349 10.442 9 1HE LYS 1 1HE LYS 1 -6.651 4.414 12.350 10 2HE LYS 1 2HE LYS 1 -7.212 5.736 13.353 11 1HZ LYS 1 1HZ LYS 1 -8.630 3.320 12.575 12 2HZ LYS 1 2HZ LYS 1 -8.504 4.017 14.047 13 3HZ LYS 1 3HZ LYS 1 -9.496 4.661 12.921 14 H VAL 2 H VAL 2 -5.034 6.188 12.581 15 HA VAL 2 HA VAL 2 -2.216 5.847 11.827 16 HB VAL 2 HB VAL 2 -3.540 5.856 14.508 17 1HG1 VAL 2 1HG1 VAL 2 -1.161 4.712 15.131 18 2HG1 VAL 2 2HG1 VAL 2 -2.678 3.803 14.928 19 3HG1 VAL 2 3HG1 VAL 2 -1.510 3.898 13.588 20 1HG2 VAL 2 1HG2 VAL 2 -2.260 7.817 13.737 21 2HG2 VAL 2 2HG2 VAL 2 -1.510 7.054 15.160 22 3HG2 VAL 2 3HG2 VAL 2 -0.817 6.794 13.541 23 H TYR 3 H TYR 3 -1.711 3.857 11.021 24 HA TYR 3 HA TYR 3 -3.699 1.733 11.449 25 1HB TYR 3 1HB TYR 3 -2.659 3.116 9.044 26 2HB TYR 3 2HB TYR 3 -2.299 1.404 8.957 27 HD1 TYR 3 1HD TYR 3 -4.605 3.781 7.985 28 HD2 TYR 3 2HD TYR 3 -4.457 -0.110 9.759 29 HE1 TYR 3 1HE TYR 3 -6.971 3.317 7.180 30 HE2 TYR 3 2HE TYR 3 -6.824 -0.561 8.948 31 HH TYR 3 HH TYR 3 -8.908 1.592 8.187 32 H GLU 4 H GLU 4 -2.680 0.326 12.816 33 HA GLU 4 HA GLU 4 0.140 -0.149 12.316 34 1HB GLU 4 1HB GLU 4 0.190 -1.128 14.573 35 2HB GLU 4 2HB GLU 4 -0.500 0.481 14.624 36 1HG GLU 4 1HG GLU 4 -2.751 -0.377 14.821 37 2HG GLU 4 2HG GLU 4 -2.252 -1.999 14.383 38 H ARG 5 H ARG 5 0.865 -2.532 12.683 39 HA ARG 5 HA ARG 5 0.029 -4.097 10.763 40 1HB ARG 5 1HB ARG 5 0.679 -6.091 12.325 41 2HB ARG 5 2HB ARG 5 1.893 -4.863 12.025 42 1HG ARG 5 1HG ARG 5 0.600 -3.787 14.216 43 2HG ARG 5 2HG ARG 5 0.424 -5.500 14.540 44 1HD ARG 5 1HD ARG 5 3.076 -5.384 13.756 45 2HD ARG 5 2HD ARG 5 2.888 -3.821 14.526 46 HE ARG 5 HE ARG 5 1.692 -5.820 16.200 47 1HH1 ARG 5 2HH2 ARG 5 4.858 -4.730 15.116 48 2HH1 ARG 5 1HH2 ARG 5 5.678 -5.291 16.535 49 1HH2 ARG 5 2HH1 ARG 5 2.773 -6.559 18.073 50 2HH2 ARG 5 1HH1 ARG 5 4.484 -6.338 18.228 51 H CYS 6 H CYS 6 -1.272 -4.327 14.162 52 HA CYS 6 HA CYS 6 -3.166 -6.248 13.667 53 1HB CYS 6 1HB CYS 6 -3.258 -3.957 15.641 54 2HB CYS 6 2HB CYS 6 -4.333 -5.341 15.664 55 H GLU 7 H GLU 7 -4.102 -2.811 14.334 56 HA GLU 7 HA GLU 7 -6.507 -2.750 13.339 57 1HB GLU 7 1HB GLU 7 -4.321 -0.778 13.506 58 2HB GLU 7 2HB GLU 7 -5.493 -0.372 12.268 59 1HG GLU 7 1HG GLU 7 -6.603 0.579 14.051 60 2HG GLU 7 2HG GLU 7 -7.226 -1.048 14.239 61 H PHE 8 H PHE 8 -3.685 -1.922 11.185 62 HA PHE 8 HA PHE 8 -4.973 -1.790 8.825 63 1HB PHE 8 1HB PHE 8 -2.418 -1.666 9.631 64 2HB PHE 8 2HB PHE 8 -2.371 -3.358 9.175 65 HD1 PHE 8 1HD PHE 8 -1.923 -3.951 6.970 66 HD2 PHE 8 2HD PHE 8 -3.217 0.001 7.811 67 HE1 PHE 8 1HE PHE 8 -1.476 -3.300 4.588 68 HE2 PHE 8 2HE PHE 8 -2.771 0.653 5.429 69 HZ PHE 8 HZ PHE 8 -1.906 -1.004 3.846 70 H ALA 9 H ALA 9 -3.664 -4.810 10.358 71 HA ALA 9 HA ALA 9 -4.375 -6.541 8.319 72 1HB ALA 9 1HB ALA 9 -4.242 -7.017 11.325 73 2HB ALA 9 2HB ALA 9 -4.187 -8.276 10.068 74 3HB ALA 9 3HB ALA 9 -2.868 -7.087 10.195 75 H ARG 10 H ARG 10 -6.210 -5.577 11.301 76 HA ARG 10 HA ARG 10 -8.378 -7.136 10.910 77 1HB ARG 10 1HB ARG 10 -8.068 -5.770 12.930 78 2HB ARG 10 2HB ARG 10 -8.210 -4.287 12.007 79 1HG ARG 10 1HG ARG 10 -10.533 -4.528 11.702 80 2HG ARG 10 2HG ARG 10 -10.487 -6.269 11.893 81 1HD ARG 10 1HD ARG 10 -11.465 -5.481 13.923 82 2HD ARG 10 2HD ARG 10 -9.806 -5.839 14.358 83 HE ARG 10 HE ARG 10 -9.872 -3.131 13.508 84 1HH1 ARG 10 2HH2 ARG 10 -11.177 -5.105 16.112 85 2HH1 ARG 10 1HH2 ARG 10 -11.238 -3.797 17.245 86 1HH2 ARG 10 2HH1 ARG 10 -9.952 -1.404 15.003 87 2HH2 ARG 10 1HH1 ARG 10 -10.537 -1.677 16.611 88 H THR 11 H THR 11 -7.898 -3.712 9.762 89 HA THR 11 HA THR 11 -10.305 -3.481 8.393 90 HB THR 11 HB THR 11 -7.547 -2.208 8.017 91 HG1 THR 11 1HG THR 11 -8.991 -0.494 9.120 92 1HG2 THR 11 1HG2 THR 11 -9.811 -2.019 6.270 93 2HG2 THR 11 2HG2 THR 11 -9.818 -0.547 7.270 94 3HG2 THR 11 3HG2 THR 11 -8.383 -0.957 6.299 95 H LEU 12 H LEU 12 -7.053 -4.399 7.066 96 HA LEU 12 HA LEU 12 -7.779 -4.809 4.490 97 1HB LEU 12 1HB LEU 12 -5.590 -5.361 6.130 98 2HB LEU 12 2HB LEU 12 -6.019 -6.912 5.437 99 HG LEU 12 HG LEU 12 -6.099 -5.241 3.236 100 1HD1 LEU 12 1HD1 LEU 12 -3.564 -4.317 3.685 101 2HD1 LEU 12 2HD1 LEU 12 -5.051 -3.343 3.792 102 3HD1 LEU 12 3HD1 LEU 12 -4.338 -4.046 5.265 103 1HD2 LEU 12 1HD2 LEU 12 -5.154 -7.317 2.925 104 2HD2 LEU 12 2HD2 LEU 12 -3.719 -6.265 2.860 105 3HD2 LEU 12 3HD2 LEU 12 -4.091 -7.172 4.345 106 H LYS 13 H LYS 13 -8.025 -7.204 7.204 107 HA LYS 13 HA LYS 13 -9.265 -9.147 5.563 108 1HB LYS 13 1HB LYS 13 -7.938 -9.379 7.801 109 2HB LYS 13 2HB LYS 13 -9.483 -9.066 8.565 110 1HG LYS 13 1HG LYS 13 -10.502 -10.953 7.264 111 2HG LYS 13 2HG LYS 13 -8.949 -11.271 6.516 112 1HD LYS 13 1HD LYS 13 -7.947 -11.763 8.732 113 2HD LYS 13 2HD LYS 13 -9.455 -11.358 9.528 114 1HE LYS 13 1HE LYS 13 -10.342 -13.228 7.709 115 2HE LYS 13 2HE LYS 13 -8.717 -13.817 7.998 116 1HZ LYS 13 1HZ LYS 13 -10.804 -13.342 10.004 117 2HZ LYS 13 2HZ LYS 13 -10.111 -14.766 9.605 118 3HZ LYS 13 3HZ LYS 13 -9.246 -13.634 10.403 119 H ARG 14 H ARG 14 -10.357 -6.299 7.322 120 HA ARG 14 HA ARG 14 -13.032 -7.149 7.512 121 1HB ARG 14 1HB ARG 14 -11.937 -5.361 8.950 122 2HB ARG 14 2HB ARG 14 -11.911 -4.301 7.554 123 1HG ARG 14 1HG ARG 14 -14.016 -3.641 8.072 124 2HG ARG 14 2HG ARG 14 -14.580 -5.255 7.686 125 1HD ARG 14 1HD ARG 14 -14.258 -5.996 10.003 126 2HD ARG 14 2HD ARG 14 -13.466 -4.493 10.426 127 HE ARG 14 HE ARG 14 -15.560 -3.451 10.593 128 1HH1 ARG 14 2HH2 ARG 14 -15.909 -6.498 8.867 129 2HH1 ARG 14 1HH2 ARG 14 -17.640 -6.442 8.860 130 1HH2 ARG 14 2HH1 ARG 14 -17.844 -3.378 10.584 131 2HH2 ARG 14 1HH1 ARG 14 -18.748 -4.656 9.844 132 H ASN 15 H ASN 15 -11.009 -5.680 5.029 133 HA ASN 15 HA ASN 15 -13.276 -4.719 3.559 134 1HB ASN 15 1HB ASN 15 -10.643 -3.908 3.698 135 2HB ASN 15 2HB ASN 15 -10.582 -4.894 2.251 136 1HD2 ASN 15 1HD2 ASN 15 -11.535 -4.241 0.400 137 2HD2 ASN 15 2HD2 ASN 15 -12.304 -2.706 0.167 138 H GLY 16 H GLY 16 -10.777 -7.321 3.511 139 1HA GLY 16 1HA GLY 16 -11.517 -9.492 2.718 140 2HA GLY 16 2HA GLY 16 -12.323 -8.684 1.388 141 H MET 17 H MET 17 -9.042 -8.073 2.805 142 HA MET 17 HA MET 17 -7.966 -8.837 0.201 143 1HB MET 17 1HB MET 17 -8.012 -6.301 0.817 144 2HB MET 17 2HB MET 17 -6.829 -6.679 2.053 145 1HG MET 17 1HG MET 17 -5.255 -6.355 0.433 146 2HG MET 17 2HG MET 17 -5.733 -7.922 -0.187 147 1HE MET 17 1HE MET 17 -4.465 -5.954 -2.230 148 2HE MET 17 2HE MET 17 -5.486 -4.614 -2.807 149 3HE MET 17 3HE MET 17 -4.901 -4.627 -1.126 150 H ALA 18 H ALA 18 -7.524 -8.636 3.756 151 HA ALA 18 HA ALA 18 -4.988 -9.608 4.019 152 1HB ALA 18 1HB ALA 18 -5.873 -10.549 6.206 153 2HB ALA 18 2HB ALA 18 -6.249 -8.834 5.915 154 3HB ALA 18 3HB ALA 18 -7.501 -10.073 5.666 155 H GLY 19 H GLY 19 -4.143 -11.260 2.821 156 1HA GLY 19 1HA GLY 19 -3.751 -13.497 2.479 157 2HA GLY 19 2HA GLY 19 -5.301 -13.901 3.190 158 H TYR 20 H TYR 20 -4.797 -11.436 0.620 159 HA TYR 20 HA TYR 20 -6.879 -12.200 -0.954 160 1HB TYR 20 1HB TYR 20 -5.200 -10.189 -1.023 161 2HB TYR 20 2HB TYR 20 -4.099 -11.252 -1.878 162 HD1 TYR 20 1HD TYR 20 -4.254 -11.523 -4.218 163 HD2 TYR 20 2HD TYR 20 -7.496 -9.719 -2.086 164 HE1 TYR 20 1HE TYR 20 -5.354 -10.880 -6.419 165 HE2 TYR 20 2HE TYR 20 -8.585 -9.083 -4.295 166 HH TYR 20 HH TYR 20 -8.183 -10.359 -6.933 167 H TYR 21 H TYR 21 -6.407 -12.881 -3.455 168 HA TYR 21 HA TYR 21 -6.318 -15.490 -3.687 169 1HB TYR 21 1HB TYR 21 -5.571 -13.120 -5.278 170 2HB TYR 21 2HB TYR 21 -4.569 -14.477 -5.755 171 HD1 TYR 21 1HD TYR 21 -5.891 -16.739 -6.219 172 HD2 TYR 21 2HD TYR 21 -7.641 -12.837 -6.307 173 HE1 TYR 21 1HE TYR 21 -7.780 -17.611 -7.680 174 HE2 TYR 21 2HE TYR 21 -9.524 -13.721 -7.768 175 HH TYR 21 HH TYR 21 -10.600 -16.098 -8.070 176 H GLY 22 H GLY 22 -3.278 -13.494 -3.784 177 1HA GLY 22 1HA GLY 22 -1.805 -15.953 -3.043 178 2HA GLY 22 2HA GLY 22 -1.182 -14.722 -4.124 179 H VAL 23 H VAL 23 -1.326 -12.345 -3.105 180 HA VAL 23 HA VAL 23 0.497 -12.106 -1.158 181 HB VAL 23 HB VAL 23 -1.919 -10.315 -1.469 182 1HG1 VAL 23 1HG1 VAL 23 -0.846 -9.302 0.258 183 2HG1 VAL 23 2HG1 VAL 23 0.717 -10.066 -0.119 184 3HG1 VAL 23 3HG1 VAL 23 0.169 -8.652 -1.052 185 1HG2 VAL 23 1HG2 VAL 23 -0.246 -9.101 -3.076 186 2HG2 VAL 23 2HG2 VAL 23 0.511 -10.707 -3.200 187 3HG2 VAL 23 3HG2 VAL 23 -1.193 -10.487 -3.667 188 H SER 24 H SER 24 0.677 -12.465 1.008 189 HA SER 24 HA SER 24 -1.667 -13.534 2.288 190 1HB SER 24 1HB SER 24 0.893 -14.371 2.344 191 2HB SER 24 2HB SER 24 0.974 -13.272 3.708 192 HG SER 24 HG SER 24 -0.917 -15.448 3.397 193 H LEU 25 H LEU 25 -2.273 -12.802 4.528 194 HA LEU 25 HA LEU 25 -2.573 -10.026 4.618 195 1HB LEU 25 1HB LEU 25 -4.197 -11.416 5.618 196 2HB LEU 25 2HB LEU 25 -3.010 -12.239 6.610 197 HG LEU 25 HG LEU 25 -2.667 -10.192 7.930 198 1HD1 LEU 25 1HD1 LEU 25 -3.128 -8.231 6.984 199 2HD1 LEU 25 2HD1 LEU 25 -4.161 -8.984 5.745 200 3HD1 LEU 25 3HD1 LEU 25 -4.841 -8.564 7.336 201 1HD2 LEU 25 1HD2 LEU 25 -4.274 -10.890 9.294 202 2HD2 LEU 25 2HD2 LEU 25 -5.544 -10.260 8.216 203 3HD2 LEU 25 3HD2 LEU 25 -4.892 -11.896 7.962 204 H ALA 26 H ALA 26 -0.327 -12.282 6.330 205 HA ALA 26 HA ALA 26 0.860 -10.413 7.983 206 1HB ALA 26 1HB ALA 26 2.211 -12.785 6.641 207 2HB ALA 26 2HB ALA 26 2.623 -12.046 8.206 208 3HB ALA 26 3HB ALA 26 1.091 -12.931 8.017 209 H ASP 27 H ASP 27 1.661 -11.393 4.592 210 HA ASP 27 HA ASP 27 3.892 -9.749 4.415 211 1HB ASP 27 1HB ASP 27 2.035 -10.565 2.135 212 2HB ASP 27 2HB ASP 27 3.729 -10.137 1.999 213 H TRP 28 H TRP 28 0.375 -9.311 3.836 214 HA TRP 28 HA TRP 28 0.454 -6.934 2.403 215 1HB TRP 28 1HB TRP 28 -1.529 -8.444 3.986 216 2HB TRP 28 2HB TRP 28 -1.846 -6.726 3.835 217 HD1 TRP 28 HD TRP 28 -3.071 -9.579 2.204 218 HE1 TRP 28 1HE TRP 28 -3.642 -9.326 -0.359 219 HE3 TRP 28 3HE TRP 28 -0.335 -5.355 1.473 220 HZ2 TRP 28 2HZ TRP 28 -2.902 -7.430 -2.361 221 HZ3 TRP 28 3HZ TRP 28 -0.314 -4.367 -0.816 222 HH2 TRP 28 HH TRP 28 -1.539 -5.335 -2.696 223 H VAL 29 H VAL 29 0.262 -7.594 5.969 224 HA VAL 29 HA VAL 29 0.267 -4.895 6.720 225 HB VAL 29 HB VAL 29 0.859 -7.511 8.062 226 1HG1 VAL 29 1HG1 VAL 29 2.419 -6.051 9.149 227 2HG1 VAL 29 2HG1 VAL 29 1.209 -4.751 9.272 228 3HG1 VAL 29 3HG1 VAL 29 1.017 -6.239 10.230 229 1HG2 VAL 29 1HG2 VAL 29 -1.428 -5.760 7.710 230 2HG2 VAL 29 2HG2 VAL 29 -1.356 -7.425 8.336 231 3HG2 VAL 29 3HG2 VAL 29 -1.105 -6.049 9.436 232 H CYS 30 H CYS 30 2.951 -7.353 6.766 233 HA CYS 30 HA CYS 30 4.961 -5.697 7.510 234 1HB CYS 30 1HB CYS 30 6.384 -7.359 6.925 235 2HB CYS 30 2HB CYS 30 4.879 -8.256 6.933 236 H LEU 31 H LEU 31 3.707 -6.366 4.166 237 HA LEU 31 HA LEU 31 5.469 -4.778 2.772 238 1HB LEU 31 1HB LEU 31 4.106 -6.260 1.587 239 2HB LEU 31 2HB LEU 31 2.632 -5.642 2.306 240 HG LEU 31 HG LEU 31 3.015 -3.485 1.054 241 1HD1 LEU 31 1HD1 LEU 31 4.763 -4.775 -0.926 242 2HD1 LEU 31 2HD1 LEU 31 4.777 -3.118 -0.278 243 3HD1 LEU 31 3HD1 LEU 31 5.547 -4.437 0.636 244 1HD2 LEU 31 1HD2 LEU 31 2.466 -6.112 -0.298 245 2HD2 LEU 31 2HD2 LEU 31 1.343 -4.806 0.150 246 3HD2 LEU 31 3HD2 LEU 31 2.450 -4.594 -1.228 247 H ALA 32 H ALA 32 2.225 -3.881 4.140 248 HA ALA 32 HA ALA 32 2.377 -1.198 3.391 249 1HB ALA 32 1HB ALA 32 0.647 -2.961 4.874 250 2HB ALA 32 2HB ALA 32 0.876 -1.460 5.803 251 3HB ALA 32 3HB ALA 32 0.266 -1.389 4.132 252 H GLN 33 H GLN 33 3.880 -3.044 6.002 253 HA GLN 33 HA GLN 33 4.371 -0.851 7.672 254 1HB GLN 33 1HB GLN 33 4.452 -3.397 8.197 255 2HB GLN 33 2HB GLN 33 6.075 -3.362 7.537 256 1HG GLN 33 1HG GLN 33 5.838 -1.133 9.346 257 2HG GLN 33 2HG GLN 33 5.184 -2.539 10.163 258 1HE2 GLN 33 1HE2 GLN 33 7.406 -1.393 11.133 259 2HE2 GLN 33 2HE2 GLN 33 8.810 -2.376 10.876 260 H HIS 34 H HIS 34 6.467 -2.656 5.310 261 HA HIS 34 HA HIS 34 8.671 -0.987 5.622 262 1HB HIS 34 1HB HIS 34 8.404 -3.328 4.515 263 2HB HIS 34 2HB HIS 34 8.022 -2.430 3.059 264 HD1 HIS 34 1HD HIS 34 10.003 -0.353 2.668 265 HD2 HIS 34 2HD HIS 34 11.056 -3.921 4.605 266 HE1 HIS 34 1HE HIS 34 12.539 -0.547 2.478 267 HE2 HIS 34 2HE HIS 34 13.133 -2.731 3.733 268 H GLU 35 H GLU 35 5.607 -0.545 3.996 269 HA GLU 35 HA GLU 35 6.592 1.407 2.185 270 1HB GLU 35 1HB GLU 35 3.823 0.471 3.004 271 2HB GLU 35 2HB GLU 35 4.030 1.847 1.939 272 1HG GLU 35 1HG GLU 35 5.044 -0.992 1.452 273 2HG GLU 35 2HG GLU 35 3.739 -0.193 0.598 274 H SER 36 H SER 36 4.386 1.525 5.082 275 HA SER 36 HA SER 36 5.694 3.772 6.103 276 1HB SER 36 1HB SER 36 4.540 4.942 4.255 277 2HB SER 36 2HB SER 36 2.999 4.283 4.767 278 HG SER 36 HG SER 36 3.053 5.529 6.656 279 H ASN 37 H ASN 37 2.245 2.610 5.848 280 HA ASN 37 HA ASN 37 0.786 2.094 7.381 281 1HB ASN 37 1HB ASN 37 2.710 0.191 7.459 282 2HB ASN 37 2HB ASN 37 2.903 0.780 9.098 283 1HD2 ASN 37 1HD2 ASN 37 2.173 -1.131 9.981 284 2HD2 ASN 37 2HD2 ASN 37 0.508 -1.610 9.982 285 H TYR 38 H TYR 38 1.166 1.579 10.276 286 HA TYR 38 HA TYR 38 1.151 2.667 12.207 287 1HB TYR 38 1HB TYR 38 3.482 3.771 10.618 288 2HB TYR 38 2HB TYR 38 3.038 4.692 12.040 289 HD1 TYR 38 1HD TYR 38 4.565 1.621 10.803 290 HD2 TYR 38 2HD TYR 38 3.206 3.668 14.304 291 HE1 TYR 38 1HE TYR 38 5.901 0.025 12.263 292 HE2 TYR 38 2HE TYR 38 4.546 2.065 15.753 293 HH TYR 38 HH TYR 38 6.967 0.286 14.704 294 H ASN 39 H ASN 39 2.137 5.490 10.168 295 HA ASN 39 HA ASN 39 -0.309 6.766 11.093 296 1HB ASN 39 1HB ASN 39 2.191 8.086 9.919 297 2HB ASN 39 2HB ASN 39 0.857 8.907 10.704 298 1HD2 ASN 39 1HD2 ASN 39 1.265 9.544 12.665 299 2HD2 ASN 39 2HD2 ASN 39 2.275 8.768 13.841 300 H THR 40 H THR 40 -1.717 7.732 9.510 301 HA THR 40 HA THR 40 -1.216 6.856 6.773 302 HB THR 40 HB THR 40 -3.614 7.214 6.516 303 HG1 THR 40 1HG THR 40 -4.290 8.121 8.979 304 1HG2 THR 40 1HG2 THR 40 -3.189 5.206 7.897 305 2HG2 THR 40 2HG2 THR 40 -3.017 6.217 9.351 306 3HG2 THR 40 3HG2 THR 40 -4.600 6.074 8.548 307 H ARG 41 H ARG 41 0.658 8.698 7.307 308 HA ARG 41 HA ARG 41 -0.463 11.059 6.024 309 1HB ARG 41 1HB ARG 41 0.435 11.245 8.493 310 2HB ARG 41 2HB ARG 41 2.027 11.123 7.774 311 1HG ARG 41 1HG ARG 41 1.970 13.289 7.096 312 2HG ARG 41 2HG ARG 41 0.437 13.054 6.281 313 1HD ARG 41 1HD ARG 41 -0.826 13.544 8.276 314 2HD ARG 41 2HD ARG 41 0.582 13.373 9.306 315 HE ARG 41 HE ARG 41 0.884 15.470 7.282 316 1HH1 ARG 41 2HH2 ARG 41 -0.299 14.730 10.512 317 2HH1 ARG 41 1HH2 ARG 41 -0.207 16.371 11.061 318 1HH2 ARG 41 2HH1 ARG 41 1.007 17.635 8.005 319 2HH2 ARG 41 1HH1 ARG 41 0.541 18.034 9.624 320 H ALA 42 H ALA 42 0.916 8.418 5.100 321 HA ALA 42 HA ALA 42 3.494 8.910 4.249 322 1HB ALA 42 1HB ALA 42 2.811 7.207 2.420 323 2HB ALA 42 2HB ALA 42 2.669 6.699 4.120 324 3HB ALA 42 3HB ALA 42 1.219 7.197 3.217 325 H THR 43 H THR 43 3.840 11.015 3.469 326 HA THR 43 HA THR 43 2.875 11.432 0.758 327 HB THR 43 HB THR 43 2.319 13.878 1.543 328 HG1 THR 43 1HG THR 43 2.100 12.238 3.968 329 1HG2 THR 43 1HG2 THR 43 0.351 12.122 2.921 330 2HG2 THR 43 2HG2 THR 43 0.091 13.292 1.604 331 3HG2 THR 43 3HG2 THR 43 0.680 11.652 1.236 332 H ASN 44 H ASN 44 4.632 11.738 -0.443 333 HA ASN 44 HA ASN 44 6.586 13.595 0.553 334 1HB ASN 44 1HB ASN 44 7.034 10.813 0.810 335 2HB ASN 44 2HB ASN 44 7.910 11.239 -0.647 336 1HD2 ASN 44 1HD2 ASN 44 9.275 10.360 1.495 337 2HD2 ASN 44 2HD2 ASN 44 10.198 11.624 2.236 338 H TYR 45 H TYR 45 6.303 15.008 -1.220 339 HA TYR 45 HA TYR 45 6.023 13.893 -3.879 340 1HB TYR 45 1HB TYR 45 5.423 16.207 -4.377 341 2HB TYR 45 2HB TYR 45 4.761 15.906 -2.783 342 HD1 TYR 45 1HD TYR 45 5.748 16.942 -0.789 343 HD2 TYR 45 2HD TYR 45 7.335 17.699 -4.689 344 HE1 TYR 45 1HE TYR 45 7.041 18.935 0.116 345 HE2 TYR 45 2HE TYR 45 8.623 19.690 -3.772 346 HH TYR 45 HH TYR 45 8.103 20.821 -0.504 347 H ASN 46 H ASN 46 7.355 14.774 -5.702 348 HA ASN 46 HA ASN 46 9.871 15.889 -4.977 349 1HB ASN 46 1HB ASN 46 9.669 13.048 -6.101 350 2HB ASN 46 2HB ASN 46 11.148 13.986 -6.156 351 1HD2 ASN 46 1HD2 ASN 46 12.160 14.636 -4.213 352 2HD2 ASN 46 2HD2 ASN 46 11.934 13.767 -2.731 353 H ARG 47 H ARG 47 9.699 17.531 -6.541 354 HA ARG 47 HA ARG 47 8.426 17.057 -8.996 355 1HB ARG 47 1HB ARG 47 8.926 19.297 -7.563 356 2HB ARG 47 2HB ARG 47 10.312 19.389 -8.631 357 1HG ARG 47 1HG ARG 47 9.003 20.181 -10.301 358 2HG ARG 47 2HG ARG 47 8.028 18.726 -10.254 359 1HD ARG 47 1HD ARG 47 6.343 19.733 -9.054 360 2HD ARG 47 2HD ARG 47 7.459 20.603 -8.021 361 HE ARG 47 HE ARG 47 6.187 21.633 -10.395 362 1HH1 ARG 47 2HH2 ARG 47 9.224 21.762 -8.621 363 2HH1 ARG 47 1HH2 ARG 47 9.648 23.335 -9.210 364 1HH2 ARG 47 2HH1 ARG 47 6.747 23.708 -11.172 365 2HH2 ARG 47 1HH1 ARG 47 8.229 24.449 -10.670 366 H GLY 48 H GLY 48 11.786 17.004 -7.805 367 1HA GLY 48 1HA GLY 48 13.412 17.339 -9.872 368 2HA GLY 48 2HA GLY 48 13.586 15.989 -8.769 369 H ASP 49 H ASP 49 11.059 14.641 -9.535 370 HA ASP 49 HA ASP 49 11.638 14.008 -12.310 371 1HB ASP 49 1HB ASP 49 12.404 12.365 -10.200 372 2HB ASP 49 2HB ASP 49 10.831 11.706 -10.608 373 H GLN 50 H GLN 50 9.540 15.658 -11.082 374 HA GLN 50 HA GLN 50 7.366 15.791 -10.704 375 1HB GLN 50 1HB GLN 50 7.841 15.760 -13.280 376 2HB GLN 50 2HB GLN 50 7.057 14.192 -13.264 377 1HG GLN 50 1HG GLN 50 5.216 15.570 -13.663 378 2HG GLN 50 2HG GLN 50 5.153 15.466 -11.915 379 1HE2 GLN 50 1HE2 GLN 50 4.156 17.407 -11.622 380 2HE2 GLN 50 2HE2 GLN 50 4.912 18.943 -11.884 381 H SER 51 H SER 51 8.359 13.622 -9.193 382 HA SER 51 HA SER 51 6.135 11.752 -9.464 383 1HB SER 51 1HB SER 51 7.674 10.038 -8.406 384 2HB SER 51 2HB SER 51 8.136 10.533 -10.022 385 HG SER 51 HG SER 51 9.946 10.475 -8.510 386 H THR 52 H THR 52 5.266 10.911 -7.405 387 HA THR 52 HA THR 52 6.190 12.263 -4.995 388 HB THR 52 HB THR 52 3.480 12.629 -6.341 389 HG1 THR 52 1HG THR 52 4.167 14.855 -5.580 390 1HG2 THR 52 1HG2 THR 52 4.199 13.281 -3.436 391 2HG2 THR 52 2HG2 THR 52 2.662 13.646 -4.255 392 3HG2 THR 52 3HG2 THR 52 3.111 11.957 -3.915 393 H ASP 53 H ASP 53 6.166 10.958 -3.256 394 HA ASP 53 HA ASP 53 4.947 8.368 -3.701 395 1HB ASP 53 1HB ASP 53 6.752 9.169 -1.385 396 2HB ASP 53 2HB ASP 53 6.421 7.549 -1.968 397 H TYR 54 H TYR 54 2.751 8.636 -3.059 398 HA TYR 54 HA TYR 54 2.365 9.571 -0.296 399 1HB TYR 54 1HB TYR 54 1.082 10.177 -2.974 400 2HB TYR 54 2HB TYR 54 -0.028 10.020 -1.627 401 HD1 TYR 54 1HD TYR 54 -0.753 12.122 -0.971 402 HD2 TYR 54 2HD TYR 54 3.382 11.571 -1.920 403 HE1 TYR 54 1HE TYR 54 -0.270 14.527 -0.299 404 HE2 TYR 54 2HE TYR 54 3.851 13.977 -1.246 405 HH TYR 54 HH TYR 54 2.136 15.693 0.607 406 H GLY 55 H GLY 55 0.390 8.665 0.760 407 1HA GLY 55 1HA GLY 55 -1.287 7.052 0.912 408 2HA GLY 55 2HA GLY 55 -0.596 6.180 -0.442 409 H ILE 56 H ILE 56 -1.318 5.355 2.422 410 HA ILE 56 HA ILE 56 0.903 4.963 3.978 411 HB ILE 56 HB ILE 56 -1.552 4.517 4.452 412 1HG1 ILE 56 1HG1 ILE 56 0.323 2.345 5.404 413 2HG1 ILE 56 2HG1 ILE 56 0.474 4.010 5.930 414 1HG2 ILE 56 1HG2 ILE 56 -2.173 3.049 2.700 415 2HG2 ILE 56 2HG2 ILE 56 -0.836 1.931 3.060 416 3HG2 ILE 56 3HG2 ILE 56 -2.196 2.087 4.197 417 1HD1 ILE 56 1HD1 ILE 56 -2.309 3.220 6.130 418 2HD1 ILE 56 2HD1 ILE 56 -1.290 2.016 6.954 419 3HD1 ILE 56 3HD1 ILE 56 -1.200 3.730 7.426 420 H PHE 57 H PHE 57 -0.058 3.393 0.952 421 HA PHE 57 HA PHE 57 1.936 1.323 1.304 422 1HB PHE 57 1HB PHE 57 -0.137 2.149 -0.799 423 2HB PHE 57 2HB PHE 57 1.016 0.876 -1.142 424 HD1 PHE 57 1HD PHE 57 1.163 -0.784 1.128 425 HD2 PHE 57 2HD PHE 57 -2.224 1.316 -0.332 426 HE1 PHE 57 1HE PHE 57 -0.349 -2.452 2.238 427 HE2 PHE 57 2HE PHE 57 -3.736 -0.352 0.778 428 HZ PHE 57 HZ PHE 57 -2.781 -2.216 2.050 429 H GLN 58 H GLN 58 2.553 4.349 1.024 430 HA GLN 58 HA GLN 58 3.782 5.705 -0.210 431 1HB GLN 58 1HB GLN 58 5.301 3.890 1.044 432 2HB GLN 58 2HB GLN 58 5.758 3.462 -0.593 433 1HG GLN 58 1HG GLN 58 7.199 5.211 -0.616 434 2HG GLN 58 2HG GLN 58 5.833 6.306 -0.514 435 1HE2 GLN 58 1HE2 GLN 58 4.910 6.661 1.675 436 2HE2 GLN 58 2HE2 GLN 58 5.996 6.806 3.018 437 H ILE 59 H ILE 59 2.013 5.402 -1.996 438 HA ILE 59 HA ILE 59 3.041 3.973 -4.308 439 HB ILE 59 HB ILE 59 0.422 5.347 -3.714 440 1HG1 ILE 59 1HG1 ILE 59 1.244 2.442 -3.955 441 2HG1 ILE 59 2HG1 ILE 59 0.659 3.269 -2.526 442 1HG2 ILE 59 1HG2 ILE 59 -0.389 4.628 -5.852 443 2HG2 ILE 59 2HG2 ILE 59 1.088 5.589 -6.108 444 3HG2 ILE 59 3HG2 ILE 59 1.150 3.814 -6.222 445 1HD1 ILE 59 1HD1 ILE 59 -1.432 3.812 -4.139 446 2HD1 ILE 59 2HD1 ILE 59 -0.864 2.325 -4.935 447 3HD1 ILE 59 3HD1 ILE 59 -1.325 2.293 -3.217 448 H ASN 60 H ASN 60 3.823 4.946 -6.164 449 HA ASN 60 HA ASN 60 4.641 7.645 -5.818 450 1HB ASN 60 1HB ASN 60 5.295 5.363 -7.565 451 2HB ASN 60 2HB ASN 60 5.181 6.846 -8.492 452 1HD2 ASN 60 1HD2 ASN 60 6.763 8.295 -8.421 453 2HD2 ASN 60 2HD2 ASN 60 8.162 8.233 -7.401 454 H SER 61 H SER 61 3.811 9.472 -6.968 455 HA SER 61 HA SER 61 1.283 8.991 -8.260 456 1HB SER 61 1HB SER 61 2.540 11.715 -7.827 457 2HB SER 61 2HB SER 61 0.839 11.306 -7.929 458 HG SER 61 HG SER 61 1.764 11.745 -5.716 459 H ARG 62 H ARG 62 4.385 8.780 -9.255 460 HA ARG 62 HA ARG 62 4.160 10.461 -11.565 461 1HB ARG 62 1HB ARG 62 6.314 9.685 -10.085 462 2HB ARG 62 2HB ARG 62 6.368 8.431 -11.307 463 1HG ARG 62 1HG ARG 62 5.902 10.825 -12.752 464 2HG ARG 62 2HG ARG 62 7.080 11.265 -11.532 465 1HD ARG 62 1HD ARG 62 8.713 10.242 -12.731 466 2HD ARG 62 2HD ARG 62 7.882 8.708 -12.565 467 HE ARG 62 HE ARG 62 6.785 10.478 -14.652 468 1HH1 ARG 62 2HH2 ARG 62 9.020 7.865 -13.905 469 2HH1 ARG 62 1HH2 ARG 62 9.105 7.300 -15.540 470 1HH2 ARG 62 2HH1 ARG 62 6.898 9.733 -16.809 471 2HH2 ARG 62 1HH1 ARG 62 7.890 8.369 -17.203 472 H TYR 63 H TYR 63 2.956 7.469 -10.648 473 HA TYR 63 HA TYR 63 2.714 6.646 -13.436 474 1HB TYR 63 1HB TYR 63 4.321 5.435 -11.288 475 2HB TYR 63 2HB TYR 63 3.030 4.331 -11.720 476 HD1 TYR 63 1HD TYR 63 6.296 5.472 -12.545 477 HD2 TYR 63 2HD TYR 63 2.755 3.802 -14.271 478 HE1 TYR 63 1HE TYR 63 7.640 4.675 -14.550 479 HE2 TYR 63 2HE TYR 63 4.111 3.010 -16.270 480 HH TYR 63 HH TYR 63 7.419 2.833 -16.247 481 H TRP 64 H TRP 64 1.884 5.776 -10.002 482 HA TRP 64 HA TRP 64 -0.820 5.159 -10.957 483 1HB TRP 64 1HB TRP 64 0.490 4.380 -8.348 484 2HB TRP 64 2HB TRP 64 -1.077 3.859 -8.937 485 HD1 TRP 64 HD TRP 64 -1.042 2.046 -11.023 486 HE1 TRP 64 1HE TRP 64 0.721 0.267 -11.854 487 HE3 TRP 64 3HE TRP 64 2.922 4.044 -8.545 488 HZ2 TRP 64 2HZ TRP 64 3.513 -0.097 -11.391 489 HZ3 TRP 64 3HZ TRP 64 5.132 2.917 -8.788 490 HH2 TRP 64 HH TRP 64 5.463 0.915 -10.152 491 H CYS 65 H CYS 65 -2.552 6.391 -10.227 492 HA CYS 65 HA CYS 65 -3.647 8.038 -9.277 493 1HB CYS 65 1HB CYS 65 -3.558 8.245 -7.043 494 2HB CYS 65 2HB CYS 65 -2.530 6.833 -7.182 495 H ASN 66 H ASN 66 -3.702 10.243 -9.763 496 HA ASN 66 HA ASN 66 -1.327 11.785 -9.564 497 1HB ASN 66 1HB ASN 66 -2.162 10.627 -12.159 498 2HB ASN 66 2HB ASN 66 -2.057 12.376 -12.223 499 1HD2 ASN 66 1HD2 ASN 66 -0.075 13.302 -11.083 500 2HD2 ASN 66 2HD2 ASN 66 1.446 12.544 -11.415 501 H ASP 67 H ASP 67 -2.086 14.001 -11.138 502 HA ASP 67 HA ASP 67 -3.760 15.421 -11.627 503 1HB ASP 67 1HB ASP 67 -5.434 13.476 -11.079 504 2HB ASP 67 2HB ASP 67 -5.524 14.187 -9.480 505 H GLY 68 H GLY 68 -2.302 14.430 -8.690 506 1HA GLY 68 1HA GLY 68 -3.247 16.411 -6.890 507 2HA GLY 68 2HA GLY 68 -1.799 15.435 -6.737 508 H LYS 69 H LYS 69 -1.537 16.762 -9.782 509 HA LYS 69 HA LYS 69 -0.633 19.377 -8.962 510 1HB LYS 69 1HB LYS 69 1.210 17.134 -9.237 511 2HB LYS 69 2HB LYS 69 1.596 18.426 -10.355 512 1HG LYS 69 1HG LYS 69 1.208 19.988 -8.229 513 2HG LYS 69 2HG LYS 69 1.486 18.508 -7.332 514 1HD LYS 69 1HD LYS 69 3.686 18.212 -8.352 515 2HD LYS 69 2HD LYS 69 3.398 19.519 -9.485 516 1HE LYS 69 1HE LYS 69 3.290 20.033 -6.492 517 2HE LYS 69 2HE LYS 69 4.829 19.995 -7.327 518 1HZ LYS 69 1HZ LYS 69 4.288 21.829 -8.543 519 2HZ LYS 69 2HZ LYS 69 2.673 21.619 -8.415 520 3HZ LYS 69 3HZ LYS 69 3.527 22.181 -7.141 521 H THR 70 H THR 70 -0.057 17.037 -11.686 522 HA THR 70 HA THR 70 -1.787 18.621 -13.384 523 HB THR 70 HB THR 70 0.539 19.724 -13.375 524 HG1 THR 70 1HG THR 70 -0.469 18.344 -15.765 525 1HG2 THR 70 1HG2 THR 70 1.429 17.057 -13.722 526 2HG2 THR 70 2HG2 THR 70 1.547 17.784 -15.342 527 3HG2 THR 70 3HG2 THR 70 2.400 18.529 -13.968 528 HA PRO 71 HA PRO 71 -2.446 14.641 -14.882 529 1HB PRO 71 1HB PRO 71 -4.114 15.240 -16.963 530 2HB PRO 71 2HB PRO 71 -4.661 15.104 -15.304 531 1HG PRO 71 1HG PRO 71 -4.236 17.541 -16.923 532 2HG PRO 71 2HG PRO 71 -5.165 17.350 -15.449 533 1HD PRO 71 1HD PRO 71 -2.563 18.531 -15.697 534 2HD PRO 71 2HD PRO 71 -3.442 18.236 -14.211 535 H ARG 72 H ARG 72 0.042 15.129 -15.374 536 HA ARG 72 HA ARG 72 0.223 14.882 -18.265 537 1HB ARG 72 1HB ARG 72 1.463 16.801 -17.130 538 2HB ARG 72 2HB ARG 72 2.442 15.615 -16.289 539 1HG ARG 72 1HG ARG 72 2.682 14.732 -18.897 540 2HG ARG 72 2HG ARG 72 2.526 16.459 -19.148 541 1HD ARG 72 1HD ARG 72 4.390 16.864 -17.523 542 2HD ARG 72 2HD ARG 72 4.544 15.137 -17.267 543 HE ARG 72 HE ARG 72 5.677 14.959 -19.308 544 1HH1 ARG 72 2HH2 ARG 72 3.954 18.026 -19.213 545 2HH1 ARG 72 1HH2 ARG 72 4.659 18.614 -20.682 546 1HH2 ARG 72 2HH1 ARG 72 6.608 15.734 -21.246 547 2HH2 ARG 72 1HH1 ARG 72 6.178 17.301 -21.846 548 H ALA 73 H ALA 73 1.251 13.557 -15.082 549 HA ALA 73 HA ALA 73 3.024 11.631 -15.914 550 1HB ALA 73 1HB ALA 73 1.809 10.421 -13.812 551 2HB ALA 73 2HB ALA 73 2.958 11.769 -13.633 552 3HB ALA 73 3HB ALA 73 1.207 12.081 -13.595 553 H VAL 74 H VAL 74 2.198 9.096 -15.334 554 HA VAL 74 HA VAL 74 0.061 8.654 -17.304 555 HB VAL 74 HB VAL 74 2.174 7.982 -18.200 556 1HG1 VAL 74 1HG1 VAL 74 2.645 6.998 -15.459 557 2HG1 VAL 74 2HG1 VAL 74 3.201 5.900 -16.746 558 3HG1 VAL 74 3HG1 VAL 74 3.795 7.577 -16.688 559 1HG2 VAL 74 1HG2 VAL 74 0.070 6.064 -17.578 560 2HG2 VAL 74 2HG2 VAL 74 0.974 6.317 -19.091 561 3HG2 VAL 74 3HG2 VAL 74 1.643 5.268 -17.818 562 H ASN 75 H ASN 75 -1.374 8.952 -15.357 563 HA ASN 75 HA ASN 75 -1.228 7.385 -13.140 564 1HB ASN 75 1HB ASN 75 -3.809 7.670 -13.119 565 2HB ASN 75 2HB ASN 75 -2.863 9.144 -13.178 566 1HD2 ASN 75 1HD2 ASN 75 -4.966 9.937 -13.982 567 2HD2 ASN 75 2HD2 ASN 75 -5.284 9.894 -15.684 568 H ALA 76 H ALA 76 -0.839 5.142 -13.362 569 HA ALA 76 HA ALA 76 -2.108 3.638 -15.438 570 1HB ALA 76 1HB ALA 76 0.057 3.349 -13.529 571 2HB ALA 76 2HB ALA 76 -0.995 1.914 -13.491 572 3HB ALA 76 3HB ALA 76 -0.256 2.435 -15.024 573 H CYS 77 H CYS 77 -2.901 4.681 -12.205 574 HA CYS 77 HA CYS 77 -4.778 2.509 -11.836 575 1HB CYS 77 1HB CYS 77 -3.265 3.660 -10.031 576 2HB CYS 77 2HB CYS 77 -4.537 4.865 -9.997 577 H GLY 78 H GLY 78 -4.539 5.908 -12.838 578 1HA GLY 78 1HA GLY 78 -6.040 7.291 -13.786 579 2HA GLY 78 2HA GLY 78 -7.101 5.916 -14.018 580 H ILE 79 H ILE 79 -5.782 7.618 -11.081 581 HA ILE 79 HA ILE 79 -8.460 8.430 -10.371 582 HB ILE 79 HB ILE 79 -8.795 7.150 -8.546 583 1HG1 ILE 79 1HG1 ILE 79 -6.640 7.901 -7.483 584 2HG1 ILE 79 2HG1 ILE 79 -7.175 6.290 -7.049 585 1HG2 ILE 79 1HG2 ILE 79 -8.060 4.792 -8.968 586 2HG2 ILE 79 2HG2 ILE 79 -8.830 5.594 -10.358 587 3HG2 ILE 79 3HG2 ILE 79 -7.062 5.404 -10.309 588 1HD1 ILE 79 1HD1 ILE 79 -5.492 5.234 -8.295 589 2HD1 ILE 79 2HD1 ILE 79 -5.307 6.614 -9.402 590 3HD1 ILE 79 3HD1 ILE 79 -4.655 6.706 -7.749 591 H ASN 80 H ASN 80 -8.378 9.828 -8.326 592 HA ASN 80 HA ASN 80 -6.108 11.532 -8.638 593 1HB ASN 80 1HB ASN 80 -8.809 11.670 -7.344 594 2HB ASN 80 2HB ASN 80 -7.566 12.625 -6.561 595 1HD2 ASN 80 1HD2 ASN 80 -8.902 11.860 -9.763 596 2HD2 ASN 80 2HD2 ASN 80 -8.734 13.437 -10.459 597 H CYS 81 H CYS 81 -4.345 11.579 -7.208 598 HA CYS 81 HA CYS 81 -3.894 9.579 -5.413 599 1HB CYS 81 1HB CYS 81 -2.749 12.377 -5.456 600 2HB CYS 81 2HB CYS 81 -2.120 11.066 -4.477 601 H SER 82 H SER 82 -5.662 12.650 -5.080 602 HA SER 82 HA SER 82 -5.634 12.964 -2.382 603 1HB SER 82 1HB SER 82 -7.588 14.325 -2.661 604 2HB SER 82 2HB SER 82 -6.666 14.486 -4.142 605 HG SER 82 HG SER 82 -9.206 13.408 -3.736 606 H ALA 83 H ALA 83 -7.522 10.700 -4.417 607 HA ALA 83 HA ALA 83 -9.380 9.905 -2.496 608 1HB ALA 83 1HB ALA 83 -10.041 8.455 -4.127 609 2HB ALA 83 2HB ALA 83 -8.931 9.409 -5.139 610 3HB ALA 83 3HB ALA 83 -8.386 7.873 -4.426 611 H LEU 84 H LEU 84 -5.947 9.170 -2.968 612 HA LEU 84 HA LEU 84 -6.129 7.041 -0.977 613 1HB LEU 84 1HB LEU 84 -3.736 7.859 -2.620 614 2HB LEU 84 2HB LEU 84 -3.946 6.392 -1.684 615 HG LEU 84 HG LEU 84 -6.080 6.506 -3.572 616 1HD1 LEU 84 1HD1 LEU 84 -4.555 6.347 -5.657 617 2HD1 LEU 84 2HD1 LEU 84 -5.010 7.954 -5.040 618 3HD1 LEU 84 3HD1 LEU 84 -3.398 7.289 -4.687 619 1HD2 LEU 84 1HD2 LEU 84 -3.795 4.738 -2.885 620 2HD2 LEU 84 2HD2 LEU 84 -5.532 4.377 -3.036 621 3HD2 LEU 84 3HD2 LEU 84 -4.522 4.523 -4.495 622 H LEU 85 H LEU 85 -6.230 10.225 -0.785 623 HA LEU 85 HA LEU 85 -4.185 10.359 1.322 624 1HB LEU 85 1HB LEU 85 -3.801 11.806 -0.673 625 2HB LEU 85 2HB LEU 85 -5.304 12.635 -0.319 626 HG LEU 85 HG LEU 85 -4.443 13.517 1.736 627 1HD1 LEU 85 1HD1 LEU 85 -2.293 11.478 1.351 628 2HD1 LEU 85 2HD1 LEU 85 -1.887 12.997 2.184 629 3HD1 LEU 85 3HD1 LEU 85 -3.179 11.953 2.820 630 1HD2 LEU 85 1HD2 LEU 85 -3.861 14.852 -0.138 631 2HD2 LEU 85 2HD2 LEU 85 -2.420 14.775 0.904 632 3HD2 LEU 85 3HD2 LEU 85 -2.505 13.782 -0.572 633 H GLN 86 H GLN 86 -6.968 9.245 1.422 634 HA GLN 86 HA GLN 86 -8.041 11.203 3.302 635 1HB GLN 86 1HB GLN 86 -10.269 10.517 2.732 636 2HB GLN 86 2HB GLN 86 -9.431 10.777 1.215 637 1HG GLN 86 1HG GLN 86 -8.970 8.315 1.058 638 2HG GLN 86 2HG GLN 86 -9.828 8.063 2.564 639 1HE2 GLN 86 1HE2 GLN 86 -12.067 8.510 2.689 640 2HE2 GLN 86 2HE2 GLN 86 -13.083 8.470 1.287 641 H ASP 87 H ASP 87 -9.981 9.513 4.525 642 HA ASP 87 HA ASP 87 -8.249 8.065 6.231 643 1HB ASP 87 1HB ASP 87 -10.057 9.052 7.366 644 2HB ASP 87 2HB ASP 87 -11.200 8.673 6.093 645 H ASP 88 H ASP 88 -11.274 7.168 4.385 646 HA ASP 88 HA ASP 88 -11.060 4.484 4.660 647 1HB ASP 88 1HB ASP 88 -11.990 5.816 2.083 648 2HB ASP 88 2HB ASP 88 -12.572 4.314 2.773 649 H ILE 89 H ILE 89 -9.411 3.095 4.007 650 HA ILE 89 HA ILE 89 -7.537 3.993 2.016 651 HB ILE 89 HB ILE 89 -6.327 1.955 2.601 652 1HG1 ILE 89 1HG1 ILE 89 -8.524 1.360 4.596 653 2HG1 ILE 89 2HG1 ILE 89 -8.428 0.591 3.024 654 1HG2 ILE 89 1HG2 ILE 89 -7.111 4.045 4.512 655 2HG2 ILE 89 2HG2 ILE 89 -6.448 2.575 5.266 656 3HG2 ILE 89 3HG2 ILE 89 -5.499 3.453 4.042 657 1HD1 ILE 89 1HD1 ILE 89 -7.219 -0.944 4.281 658 2HD1 ILE 89 2HD1 ILE 89 -5.892 0.131 3.780 659 3HD1 ILE 89 3HD1 ILE 89 -6.609 0.296 5.402 660 H THR 90 H THR 90 -10.597 2.841 1.775 661 HA THR 90 HA THR 90 -10.634 0.625 0.217 662 HB THR 90 HB THR 90 -12.607 1.960 1.020 663 HG1 THR 90 1HG THR 90 -13.672 1.135 -0.767 664 1HG2 THR 90 1HG2 THR 90 -11.764 3.796 -1.283 665 2HG2 THR 90 2HG2 THR 90 -13.375 3.824 -0.526 666 3HG2 THR 90 3HG2 THR 90 -11.935 4.257 0.427 667 H ALA 91 H ALA 91 -9.521 3.886 -0.721 668 HA ALA 91 HA ALA 91 -9.355 3.218 -3.486 669 1HB ALA 91 1HB ALA 91 -7.632 5.400 -2.600 670 2HB ALA 91 2HB ALA 91 -9.063 5.444 -3.659 671 3HB ALA 91 3HB ALA 91 -9.260 5.530 -1.892 672 H ALA 92 H ALA 92 -7.110 3.287 -0.666 673 HA ALA 92 HA ALA 92 -4.771 2.790 -2.098 674 1HB ALA 92 1HB ALA 92 -4.539 3.527 0.125 675 2HB ALA 92 2HB ALA 92 -5.695 2.326 0.745 676 3HB ALA 92 3HB ALA 92 -4.076 1.811 0.212 677 H ILE 93 H ILE 93 -7.309 0.615 -0.759 678 HA ILE 93 HA ILE 93 -5.865 -1.749 -1.405 679 HB ILE 93 HB ILE 93 -8.817 -1.437 -0.870 680 1HG1 ILE 93 1HG1 ILE 93 -6.499 -1.560 1.072 681 2HG1 ILE 93 2HG1 ILE 93 -7.697 -0.291 0.912 682 1HG2 ILE 93 1HG2 ILE 93 -7.368 -3.795 0.121 683 2HG2 ILE 93 2HG2 ILE 93 -8.933 -3.668 -0.718 684 3HG2 ILE 93 3HG2 ILE 93 -7.418 -3.656 -1.653 685 1HD1 ILE 93 1HD1 ILE 93 -8.377 -1.611 2.800 686 2HD1 ILE 93 2HD1 ILE 93 -9.478 -2.059 1.476 687 3HD1 ILE 93 3HD1 ILE 93 -8.128 -3.134 1.914 688 H GLN 94 H GLN 94 -8.646 0.040 -2.892 689 HA GLN 94 HA GLN 94 -9.030 -1.696 -4.976 690 1HB GLN 94 1HB GLN 94 -10.432 0.343 -4.214 691 2HB GLN 94 2HB GLN 94 -9.358 1.319 -5.197 692 1HG GLN 94 1HG GLN 94 -10.589 -1.133 -6.455 693 2HG GLN 94 2HG GLN 94 -11.616 0.266 -6.204 694 1HE2 GLN 94 1HE2 GLN 94 -11.865 0.760 -8.327 695 2HE2 GLN 94 2HE2 GLN 94 -10.608 1.381 -9.345 696 H CYS 95 H CYS 95 -6.815 1.145 -4.685 697 HA CYS 95 HA CYS 95 -5.909 0.970 -7.347 698 1HB CYS 95 1HB CYS 95 -5.786 2.902 -5.558 699 2HB CYS 95 2HB CYS 95 -4.245 2.166 -5.165 700 H ALA 96 H ALA 96 -4.802 -0.277 -4.143 701 HA ALA 96 HA ALA 96 -2.351 -1.280 -4.877 702 1HB ALA 96 1HB ALA 96 -2.893 -1.270 -2.586 703 2HB ALA 96 2HB ALA 96 -4.448 -2.094 -2.853 704 3HB ALA 96 3HB ALA 96 -2.923 -2.999 -3.008 705 H LYS 97 H LYS 97 -5.633 -2.776 -5.156 706 HA LYS 97 HA LYS 97 -4.611 -5.185 -6.254 707 1HB LYS 97 1HB LYS 97 -6.976 -5.703 -6.667 708 2HB LYS 97 2HB LYS 97 -6.701 -5.152 -5.026 709 1HG LYS 97 1HG LYS 97 -7.553 -2.923 -5.547 710 2HG LYS 97 2HG LYS 97 -7.608 -3.284 -7.262 711 1HD LYS 97 1HD LYS 97 -9.122 -5.287 -5.762 712 2HD LYS 97 2HD LYS 97 -9.679 -3.677 -5.351 713 1HE LYS 97 1HE LYS 97 -10.649 -3.376 -7.396 714 2HE LYS 97 2HE LYS 97 -9.228 -3.947 -8.246 715 1HZ LYS 97 1HZ LYS 97 -10.266 -5.840 -8.578 716 2HZ LYS 97 2HZ LYS 97 -10.404 -6.112 -6.973 717 3HZ LYS 97 3HZ LYS 97 -11.585 -5.314 -7.770 718 H ARG 98 H ARG 98 -6.056 -2.159 -7.594 719 HA ARG 98 HA ARG 98 -6.119 -3.039 -10.206 720 1HB ARG 98 1HB ARG 98 -7.256 -0.973 -9.286 721 2HB ARG 98 2HB ARG 98 -5.696 -0.182 -9.191 722 1HG ARG 98 1HG ARG 98 -5.664 0.274 -11.427 723 2HG ARG 98 2HG ARG 98 -6.153 -1.354 -11.853 724 1HD ARG 98 1HD ARG 98 -8.489 -0.320 -10.730 725 2HD ARG 98 2HD ARG 98 -7.813 1.085 -11.530 726 HE ARG 98 HE ARG 98 -7.578 -0.984 -13.404 727 1HH1 ARG 98 2HH2 ARG 98 -10.213 0.532 -11.633 728 2HH1 ARG 98 1HH2 ARG 98 -11.389 0.221 -12.865 729 1HH2 ARG 98 2HH1 ARG 98 -9.129 -1.395 -15.030 730 2HH2 ARG 98 1HH1 ARG 98 -10.770 -0.883 -14.811 731 H VAL 99 H VAL 99 -3.476 -2.055 -8.130 732 HA VAL 99 HA VAL 99 -1.725 -1.397 -10.334 733 HB VAL 99 HB VAL 99 -1.449 -1.508 -7.335 734 1HG1 VAL 99 1HG1 VAL 99 0.676 -2.270 -8.157 735 2HG1 VAL 99 2HG1 VAL 99 0.714 -0.996 -9.400 736 3HG1 VAL 99 3HG1 VAL 99 0.853 -0.564 -7.679 737 1HG2 VAL 99 1HG2 VAL 99 -1.851 0.697 -7.376 738 2HG2 VAL 99 2HG2 VAL 99 -0.733 0.958 -8.737 739 3HG2 VAL 99 3HG2 VAL 99 -2.411 0.454 -9.048 740 H VAL 100 H VAL 100 -1.854 -3.882 -7.679 741 HA VAL 100 HA VAL 100 0.231 -5.428 -8.635 742 HB VAL 100 HB VAL 100 -1.344 -5.426 -6.462 743 1HG1 VAL 100 1HG1 VAL 100 -2.809 -7.276 -6.333 744 2HG1 VAL 100 2HG1 VAL 100 -3.197 -6.482 -7.877 745 3HG1 VAL 100 3HG1 VAL 100 -2.212 -7.965 -7.863 746 1HG2 VAL 100 1HG2 VAL 100 -0.298 -7.687 -5.926 747 2HG2 VAL 100 2HG2 VAL 100 0.368 -7.662 -7.576 748 3HG2 VAL 100 3HG2 VAL 100 0.822 -6.393 -6.415 749 H ARG 101 H ARG 101 -3.156 -5.148 -9.674 750 HA ARG 101 HA ARG 101 -3.492 -7.499 -10.952 751 1HB ARG 101 1HB ARG 101 -5.151 -5.565 -10.715 752 2HB ARG 101 2HB ARG 101 -4.348 -4.779 -12.059 753 1HG ARG 101 1HG ARG 101 -4.906 -7.505 -12.834 754 2HG ARG 101 2HG ARG 101 -6.369 -6.834 -12.142 755 1HD ARG 101 1HD ARG 101 -5.598 -4.720 -13.704 756 2HD ARG 101 2HD ARG 101 -4.906 -6.034 -14.633 757 HE ARG 101 HE ARG 101 -7.701 -5.393 -14.441 758 1HH1 ARG 101 2HH2 ARG 101 -5.541 -8.169 -14.561 759 2HH1 ARG 101 1HH2 ARG 101 -6.725 -9.221 -15.261 760 1HH2 ARG 101 2HH1 ARG 101 -9.263 -6.782 -15.365 761 2HH2 ARG 101 1HH1 ARG 101 -8.857 -8.427 -15.721 762 H ASP 102 H ASP 102 -1.347 -4.821 -11.762 763 HA ASP 102 HA ASP 102 -1.094 -5.414 -14.490 764 1HB ASP 102 1HB ASP 102 -0.051 -3.519 -12.592 765 2HB ASP 102 2HB ASP 102 1.326 -4.251 -13.389 766 HA PRO 103 HA PRO 103 2.101 -8.433 -14.325 767 1HB PRO 103 1HB PRO 103 4.083 -7.607 -16.014 768 2HB PRO 103 2HB PRO 103 2.586 -8.324 -16.573 769 1HG PRO 103 1HG PRO 103 3.421 -5.490 -16.643 770 2HG PRO 103 2HG PRO 103 2.152 -6.283 -17.554 771 1HD PRO 103 1HD PRO 103 1.816 -4.581 -15.270 772 2HD PRO 103 2HD PRO 103 0.559 -5.466 -16.112 773 H GLN 104 H GLN 104 2.595 -5.578 -12.868 774 HA GLN 104 HA GLN 104 5.307 -5.780 -12.255 775 1HB GLN 104 1HB GLN 104 3.099 -4.444 -10.631 776 2HB GLN 104 2HB GLN 104 4.814 -4.104 -10.514 777 1HG GLN 104 1HG GLN 104 3.676 -3.902 -13.268 778 2HG GLN 104 2HG GLN 104 3.066 -2.719 -12.130 779 1HE2 GLN 104 1HE2 GLN 104 4.103 -1.105 -13.351 780 2HE2 GLN 104 2HE2 GLN 104 5.800 -0.788 -13.206 781 H GLY 105 H GLY 105 2.381 -6.486 -10.200 782 1HA GLY 105 1HA GLY 105 2.033 -8.161 -8.714 783 2HA GLY 105 2HA GLY 105 3.551 -8.899 -9.188 784 H ILE 106 H ILE 106 2.657 -8.732 -6.468 785 HA ILE 106 HA ILE 106 3.386 -6.665 -4.937 786 HB ILE 106 HB ILE 106 3.397 -9.597 -4.631 787 1HG1 ILE 106 1HG1 ILE 106 1.441 -8.106 -4.203 788 2HG1 ILE 106 2HG1 ILE 106 1.879 -9.132 -2.852 789 1HG2 ILE 106 1HG2 ILE 106 4.478 -9.634 -2.489 790 2HG2 ILE 106 2HG2 ILE 106 5.611 -8.956 -3.682 791 3HG2 ILE 106 3HG2 ILE 106 4.765 -7.878 -2.546 792 1HD1 ILE 106 1HD1 ILE 106 3.105 -7.248 -1.790 793 2HD1 ILE 106 2HD1 ILE 106 2.692 -6.204 -3.171 794 3HD1 ILE 106 3HD1 ILE 106 1.406 -6.815 -2.101 795 H ARG 107 H ARG 107 5.528 -8.722 -6.869 796 HA ARG 107 HA ARG 107 7.892 -8.457 -5.723 797 1HB ARG 107 1HB ARG 107 7.147 -9.334 -8.124 798 2HB ARG 107 2HB ARG 107 7.668 -7.751 -8.668 799 1HG ARG 107 1HG ARG 107 9.713 -8.747 -6.911 800 2HG ARG 107 2HG ARG 107 9.292 -10.056 -7.998 801 1HD ARG 107 1HD ARG 107 11.025 -8.801 -9.108 802 2HD ARG 107 2HD ARG 107 9.535 -8.404 -9.941 803 HE ARG 107 HE ARG 107 9.659 -6.446 -8.010 804 1HH1 ARG 107 2HH2 ARG 107 11.975 -7.602 -10.394 805 2HH1 ARG 107 1HH2 ARG 107 12.770 -6.071 -10.552 806 1HH2 ARG 107 2HH1 ARG 107 10.707 -4.426 -8.218 807 2HH2 ARG 107 1HH1 ARG 107 12.045 -4.252 -9.306 808 H ALA 108 H ALA 108 6.060 -5.890 -7.444 809 HA ALA 108 HA ALA 108 7.888 -3.973 -7.871 810 1HB ALA 108 1HB ALA 108 5.886 -2.439 -6.959 811 2HB ALA 108 2HB ALA 108 5.756 -3.351 -8.482 812 3HB ALA 108 3HB ALA 108 5.023 -3.995 -6.994 813 H TRP 109 H TRP 109 6.561 -5.029 -4.708 814 HA TRP 109 HA TRP 109 8.120 -2.979 -3.356 815 1HB TRP 109 1HB TRP 109 6.118 -5.020 -2.383 816 2HB TRP 109 2HB TRP 109 7.024 -3.962 -1.319 817 HD1 TRP 109 HD TRP 109 6.336 -1.313 -1.360 818 HE1 TRP 109 1HE TRP 109 4.196 0.022 -2.132 819 HE3 TRP 109 3HE TRP 109 4.349 -5.075 -4.145 820 HZ2 TRP 109 2HZ TRP 109 1.961 -0.629 -3.783 821 HZ3 TRP 109 3HZ TRP 109 2.185 -4.643 -5.305 822 HH2 TRP 109 HH TRP 109 0.998 -2.512 -5.158 823 H VAL 110 H VAL 110 9.933 -4.397 -4.679 824 HA VAL 110 HA VAL 110 10.793 -6.817 -4.057 825 HB VAL 110 HB VAL 110 11.991 -5.347 -5.515 826 1HG1 VAL 110 1HG1 VAL 110 11.782 -3.200 -4.574 827 2HG1 VAL 110 2HG1 VAL 110 12.487 -3.712 -3.021 828 3HG1 VAL 110 3HG1 VAL 110 13.521 -3.565 -4.463 829 1HG2 VAL 110 1HG2 VAL 110 13.247 -7.208 -4.471 830 2HG2 VAL 110 2HG2 VAL 110 14.292 -5.824 -4.872 831 3HG2 VAL 110 3HG2 VAL 110 13.791 -6.101 -3.187 832 H ALA 111 H ALA 111 10.813 -3.994 -1.851 833 HA ALA 111 HA ALA 111 12.437 -4.786 0.138 834 1HB ALA 111 1HB ALA 111 10.084 -3.868 1.416 835 2HB ALA 111 2HB ALA 111 11.493 -2.903 0.919 836 3HB ALA 111 3HB ALA 111 10.108 -3.088 -0.184 837 H TRP 112 H TRP 112 8.944 -5.760 -0.172 838 HA TRP 112 HA TRP 112 8.843 -7.451 1.977 839 1HB TRP 112 1HB TRP 112 6.826 -6.955 0.956 840 2HB TRP 112 2HB TRP 112 7.409 -7.346 -0.650 841 HD1 TRP 112 HD TRP 112 8.469 -10.220 1.315 842 HE1 TRP 112 1HE TRP 112 6.809 -12.270 1.241 843 HE3 TRP 112 3HE TRP 112 4.522 -7.628 -0.568 844 HZ2 TRP 112 2HZ TRP 112 4.093 -12.571 0.420 845 HZ3 TRP 112 3HZ TRP 112 2.402 -8.874 -0.977 846 HH2 TRP 112 HH TRP 112 2.150 -11.261 -0.515 847 H ARG 113 H ARG 113 9.564 -8.317 -1.488 848 HA ARG 113 HA ARG 113 10.121 -10.920 -1.097 849 1HB ARG 113 1HB ARG 113 10.069 -9.575 -3.294 850 2HB ARG 113 2HB ARG 113 11.725 -9.107 -2.964 851 1HG ARG 113 1HG ARG 113 11.957 -11.806 -2.622 852 2HG ARG 113 2HG ARG 113 10.629 -11.781 -3.765 853 1HD ARG 113 1HD ARG 113 11.976 -11.128 -5.496 854 2HD ARG 113 2HD ARG 113 12.781 -9.909 -4.529 855 HE ARG 113 HE ARG 113 14.508 -11.427 -4.124 856 1HH1 ARG 113 2HH2 ARG 113 11.636 -13.215 -5.096 857 2HH1 ARG 113 1HH2 ARG 113 12.450 -14.743 -5.146 858 1HH2 ARG 113 2HH1 ARG 113 15.581 -13.444 -4.191 859 2HH2 ARG 113 1HH1 ARG 113 14.708 -14.875 -4.627 860 H ALA 114 H ALA 114 11.867 -8.169 0.099 861 HA ALA 114 HA ALA 114 14.068 -9.942 0.894 862 1HB ALA 114 1HB ALA 114 14.662 -7.052 0.495 863 2HB ALA 114 2HB ALA 114 15.658 -8.485 0.143 864 3HB ALA 114 3HB ALA 114 14.370 -7.998 -0.984 865 H HIS 115 H HIS 115 11.569 -9.381 2.284 866 HA HIS 115 HA HIS 115 12.743 -8.298 4.678 867 1HB HIS 115 1HB HIS 115 11.654 -6.400 3.263 868 2HB HIS 115 2HB HIS 115 10.132 -7.097 3.782 869 HD1 HIS 115 1HD HIS 115 9.216 -5.919 5.771 870 HD2 HIS 115 2HD HIS 115 13.408 -6.028 5.816 871 HE1 HIS 115 1HE HIS 115 9.940 -4.701 7.893 872 HE2 HIS 115 2HE HIS 115 12.523 -4.847 7.893 873 H CYS 116 H CYS 116 9.646 -9.357 3.097 874 HA CYS 116 HA CYS 116 8.892 -10.684 5.542 875 1HB CYS 116 1HB CYS 116 7.540 -9.658 3.222 876 2HB CYS 116 2HB CYS 116 7.117 -11.344 3.438 877 H GLN 117 H GLN 117 9.695 -11.456 2.087 878 HA GLN 117 HA GLN 117 9.506 -14.226 2.483 879 1HB GLN 117 1HB GLN 117 10.094 -12.381 0.310 880 2HB GLN 117 2HB GLN 117 11.234 -13.712 0.277 881 1HG GLN 117 1HG GLN 117 9.291 -15.328 0.421 882 2HG GLN 117 2HG GLN 117 8.190 -13.967 0.342 883 1HE2 GLN 117 1HE2 GLN 117 10.931 -15.470 -1.335 884 2HE2 GLN 117 2HE2 GLN 117 10.444 -15.087 -2.953 885 H ASN 118 H ASN 118 10.889 -13.762 4.656 886 HA ASN 118 HA ASN 118 13.504 -14.775 3.990 887 1HB ASN 118 1HB ASN 118 13.310 -12.096 4.523 888 2HB ASN 118 2HB ASN 118 13.439 -12.694 6.166 889 1HD2 ASN 118 1HD2 ASN 118 15.386 -11.125 5.365 890 2HD2 ASN 118 2HD2 ASN 118 16.859 -11.976 5.037 891 H ARG 119 H ARG 119 11.336 -13.561 6.661 892 HA ARG 119 HA ARG 119 11.871 -16.078 8.021 893 1HB ARG 119 1HB ARG 119 12.798 -13.727 8.981 894 2HB ARG 119 2HB ARG 119 11.169 -13.610 9.616 895 1HG ARG 119 1HG ARG 119 11.936 -16.261 10.203 896 2HG ARG 119 2HG ARG 119 13.391 -15.329 10.492 897 1HD ARG 119 1HD ARG 119 11.772 -13.682 11.794 898 2HD ARG 119 2HD ARG 119 10.677 -15.051 11.822 899 HE ARG 119 HE ARG 119 13.364 -15.793 12.672 900 1HH1 ARG 119 2HH2 ARG 119 10.344 -14.343 13.752 901 2HH1 ARG 119 1HH2 ARG 119 10.600 -14.743 15.418 902 1HH2 ARG 119 2HH1 ARG 119 13.702 -16.320 14.870 903 2HH2 ARG 119 1HH1 ARG 119 12.522 -15.876 16.058 904 H ASP 120 H ASP 120 10.016 -15.820 10.134 905 HA ASP 120 HA ASP 120 7.568 -15.966 8.616 906 1HB ASP 120 1HB ASP 120 8.369 -17.770 10.269 907 2HB ASP 120 2HB ASP 120 8.033 -16.631 11.557 908 H LEU 121 H LEU 121 6.708 -13.853 8.425 909 HA LEU 121 HA LEU 121 6.694 -12.209 10.845 910 1HB LEU 121 1HB LEU 121 7.683 -11.408 8.640 911 2HB LEU 121 2HB LEU 121 6.041 -11.348 8.032 912 HG LEU 121 HG LEU 121 5.422 -9.610 9.502 913 1HD1 LEU 121 1HD1 LEU 121 6.260 -10.365 11.592 914 2HD1 LEU 121 2HD1 LEU 121 7.948 -10.240 11.043 915 3HD1 LEU 121 3HD1 LEU 121 6.982 -8.766 11.294 916 1HD2 LEU 121 1HD2 LEU 121 7.083 -9.103 7.584 917 2HD2 LEU 121 2HD2 LEU 121 6.765 -7.847 8.805 918 3HD2 LEU 121 3HD2 LEU 121 8.258 -8.813 8.889 919 H SER 122 H SER 122 4.943 -14.637 10.171 920 HA SER 122 HA SER 122 2.404 -13.560 9.600 921 1HB SER 122 1HB SER 122 3.446 -16.234 10.553 922 2HB SER 122 2HB SER 122 1.723 -15.925 10.592 923 HG SER 122 HG SER 122 3.349 -15.547 8.227 924 H GLN 123 H GLN 123 4.366 -14.058 12.502 925 HA GLN 123 HA GLN 123 2.256 -14.041 14.336 926 1HB GLN 123 1HB GLN 123 4.554 -14.873 14.834 927 2HB GLN 123 2HB GLN 123 5.177 -13.238 14.711 928 1HG GLN 123 1HG GLN 123 3.910 -12.507 16.643 929 2HG GLN 123 2HG GLN 123 2.947 -13.972 16.655 930 1HE2 GLN 123 1HE2 GLN 123 3.935 -15.977 17.187 931 2HE2 GLN 123 2HE2 GLN 123 5.336 -16.052 18.202 932 H TYR 124 H TYR 124 3.438 -11.625 12.247 933 HA TYR 124 HA TYR 124 3.132 -9.387 14.000 934 1HB TYR 124 1HB TYR 124 4.302 -10.009 11.535 935 2HB TYR 124 2HB TYR 124 2.852 -9.181 11.003 936 HD1 TYR 124 1HD TYR 124 5.820 -8.773 13.239 937 HD2 TYR 124 2HD TYR 124 2.776 -6.831 10.944 938 HE1 TYR 124 1HE TYR 124 6.951 -6.528 13.624 939 HE2 TYR 124 2HE TYR 124 3.917 -4.594 11.337 940 HH TYR 124 HH TYR 124 6.190 -4.118 13.684 941 H ILE 125 H ILE 125 1.034 -11.331 11.912 942 HA ILE 125 HA ILE 125 -1.101 -9.364 12.364 943 HB ILE 125 HB ILE 125 -2.173 -10.245 10.381 944 1HG1 ILE 125 1HG1 ILE 125 -0.162 -11.730 9.090 945 2HG1 ILE 125 2HG1 ILE 125 -0.259 -12.399 10.707 946 1HG2 ILE 125 1HG2 ILE 125 -0.535 -8.366 10.243 947 2HG2 ILE 125 2HG2 ILE 125 0.707 -9.546 9.760 948 3HG2 ILE 125 3HG2 ILE 125 -0.723 -9.288 8.732 949 1HD1 ILE 125 1HD1 ILE 125 -2.284 -12.420 8.517 950 2HD1 ILE 125 2HD1 ILE 125 -1.994 -13.607 9.812 951 3HD1 ILE 125 3HD1 ILE 125 -2.929 -12.131 10.152 952 H ARG 126 H ARG 126 0.003 -12.737 12.644 953 HA ARG 126 HA ARG 126 -2.532 -13.671 13.456 954 1HB ARG 126 1HB ARG 126 -0.685 -15.084 12.409 955 2HB ARG 126 2HB ARG 126 0.212 -14.945 13.909 956 1HG ARG 126 1HG ARG 126 -1.046 -17.066 13.872 957 2HG ARG 126 2HG ARG 126 -1.652 -16.031 15.149 958 1HD ARG 126 1HD ARG 126 -3.725 -15.924 14.205 959 2HD ARG 126 2HD ARG 126 -3.069 -15.501 12.637 960 HE ARG 126 HE ARG 126 -3.848 -18.165 13.531 961 1HH1 ARG 126 2HH2 ARG 126 -1.725 -16.411 11.341 962 2HH1 ARG 126 1HH2 ARG 126 -1.574 -17.729 10.227 963 1HH2 ARG 126 2HH1 ARG 126 -3.649 -19.904 12.062 964 2HH2 ARG 126 1HH1 ARG 126 -2.676 -19.729 10.640 965 H ASN 127 H ASN 127 -3.449 -13.380 15.466 966 HA ASN 127 HA ASN 127 -3.601 -13.349 17.657 967 1HB ASN 127 1HB ASN 127 -1.327 -14.682 17.633 968 2HB ASN 127 2HB ASN 127 -0.577 -13.141 17.996 969 1HD2 ASN 127 1HD2 ASN 127 -3.023 -15.456 19.051 970 2HD2 ASN 127 2HD2 ASN 127 -2.979 -15.088 20.743 971 H CYS 128 H CYS 128 -3.214 -11.061 15.703 972 HA CYS 128 HA CYS 128 -1.834 -9.046 17.213 973 1HB CYS 128 1HB CYS 128 -2.292 -9.409 14.551 974 2HB CYS 128 2HB CYS 128 -3.533 -8.233 14.941 975 H GLY 129 H GLY 129 -5.097 -10.336 16.715 976 1HA GLY 129 1HA GLY 129 -6.665 -9.918 18.509 977 2HA GLY 129 2HA GLY 129 -6.151 -8.242 18.520 978 H VAL 130 H VAL 130 -6.656 -10.222 15.561 979 HA VAL 130 HA VAL 130 -8.592 -8.249 14.678 980 HB VAL 130 HB VAL 130 -7.020 -10.458 13.376 981 1HG1 VAL 130 1HG1 VAL 130 -9.259 -8.844 12.108 982 2HG1 VAL 130 2HG1 VAL 130 -8.131 -9.913 11.240 983 3HG1 VAL 130 3HG1 VAL 130 -9.268 -10.595 12.428 984 1HG2 VAL 130 1HG2 VAL 130 -5.961 -8.730 12.158 985 2HG2 VAL 130 2HG2 VAL 130 -7.206 -7.538 12.605 986 3HG2 VAL 130 3HG2 VAL 130 -6.062 -8.132 13.833 Start of MODEL 17 1 H LYS 1 H LYS 1 -7.351 6.864 7.209 2 HA LYS 1 HA LYS 1 -5.585 8.157 7.845 3 1HB LYS 1 1HB LYS 1 -7.720 7.994 9.899 4 2HB LYS 1 2HB LYS 1 -6.249 8.803 10.397 5 1HG LYS 1 1HG LYS 1 -6.503 9.987 7.991 6 2HG LYS 1 2HG LYS 1 -8.188 9.559 8.215 7 1HD LYS 1 1HD LYS 1 -8.148 10.703 10.464 8 2HD LYS 1 2HD LYS 1 -6.489 11.184 10.168 9 1HE LYS 1 1HE LYS 1 -7.283 12.360 8.048 10 2HE LYS 1 2HE LYS 1 -8.931 11.996 8.520 11 1HZ LYS 1 1HZ LYS 1 -8.831 13.448 10.232 12 2HZ LYS 1 2HZ LYS 1 -7.225 13.285 10.476 13 3HZ LYS 1 3HZ LYS 1 -7.775 14.192 9.234 14 H VAL 2 H VAL 2 -6.004 6.775 11.118 15 HA VAL 2 HA VAL 2 -3.168 6.128 11.083 16 HB VAL 2 HB VAL 2 -4.089 7.525 12.868 17 1HG1 VAL 2 1HG1 VAL 2 -6.226 5.683 12.826 18 2HG1 VAL 2 2HG1 VAL 2 -5.439 5.487 14.410 19 3HG1 VAL 2 3HG1 VAL 2 -6.020 7.089 13.897 20 1HG2 VAL 2 1HG2 VAL 2 -3.419 4.986 14.291 21 2HG2 VAL 2 2HG2 VAL 2 -2.232 5.624 13.128 22 3HG2 VAL 2 3HG2 VAL 2 -2.761 6.627 14.501 23 H TYR 3 H TYR 3 -2.700 4.151 10.242 24 HA TYR 3 HA TYR 3 -4.207 1.894 11.339 25 1HB TYR 3 1HB TYR 3 -3.442 2.557 8.429 26 2HB TYR 3 2HB TYR 3 -4.010 0.971 8.913 27 HD1 TYR 3 1HD TYR 3 -5.025 3.848 7.349 28 HD2 TYR 3 2HD TYR 3 -6.307 1.213 10.465 29 HE1 TYR 3 1HE TYR 3 -7.430 4.596 7.002 30 HE2 TYR 3 2HE TYR 3 -8.708 1.969 10.108 31 HH TYR 3 HH TYR 3 -10.060 3.150 8.903 32 H GLU 4 H GLU 4 -2.904 0.253 12.034 33 HA GLU 4 HA GLU 4 -0.146 0.361 11.086 34 1HB GLU 4 1HB GLU 4 0.536 -0.477 13.340 35 2HB GLU 4 2HB GLU 4 -0.218 1.102 13.409 36 1HG GLU 4 1HG GLU 4 -2.443 -0.141 13.883 37 2HG GLU 4 2HG GLU 4 -1.475 -1.582 14.118 38 H ARG 5 H ARG 5 0.966 -1.936 11.746 39 HA ARG 5 HA ARG 5 0.247 -3.767 10.071 40 1HB ARG 5 1HB ARG 5 0.962 -5.516 11.957 41 2HB ARG 5 2HB ARG 5 2.129 -4.371 11.327 42 1HG ARG 5 1HG ARG 5 2.415 -3.514 13.403 43 2HG ARG 5 2HG ARG 5 0.733 -3.025 13.435 44 1HD ARG 5 1HD ARG 5 0.277 -5.568 14.048 45 2HD ARG 5 2HD ARG 5 1.974 -5.584 14.488 46 HE ARG 5 HE ARG 5 0.994 -3.307 15.746 47 1HH1 ARG 5 2HH2 ARG 5 0.099 -6.710 15.761 48 2HH1 ARG 5 1HH2 ARG 5 -0.520 -6.671 17.379 49 1HH2 ARG 5 2HH1 ARG 5 0.178 -3.255 17.880 50 2HH2 ARG 5 1HH1 ARG 5 -0.475 -4.693 18.592 51 H CYS 6 H CYS 6 -0.995 -3.861 13.502 52 HA CYS 6 HA CYS 6 -2.748 -5.921 13.200 53 1HB CYS 6 1HB CYS 6 -2.163 -3.973 15.152 54 2HB CYS 6 2HB CYS 6 -3.897 -3.892 14.902 55 H GLU 7 H GLU 7 -3.979 -2.529 13.517 56 HA GLU 7 HA GLU 7 -6.372 -2.778 12.518 57 1HB GLU 7 1HB GLU 7 -4.420 -0.624 12.640 58 2HB GLU 7 2HB GLU 7 -5.413 -0.437 11.207 59 1HG GLU 7 1HG GLU 7 -7.418 -0.259 12.447 60 2HG GLU 7 2HG GLU 7 -6.755 -1.094 13.839 61 H PHE 8 H PHE 8 -3.633 -1.869 10.291 62 HA PHE 8 HA PHE 8 -4.832 -2.036 7.927 63 1HB PHE 8 1HB PHE 8 -2.245 -2.006 8.931 64 2HB PHE 8 2HB PHE 8 -2.269 -3.606 8.217 65 HD1 PHE 8 1HD PHE 8 -3.706 -3.366 5.768 66 HD2 PHE 8 2HD PHE 8 -1.103 -0.542 7.575 67 HE1 PHE 8 1HE PHE 8 -3.225 -2.369 3.516 68 HE2 PHE 8 2HE PHE 8 -0.623 0.455 5.322 69 HZ PHE 8 HZ PHE 8 -1.689 -0.469 3.319 70 H ALA 9 H ALA 9 -3.517 -4.900 9.731 71 HA ALA 9 HA ALA 9 -4.247 -6.786 7.808 72 1HB ALA 9 1HB ALA 9 -2.746 -6.835 10.022 73 2HB ALA 9 2HB ALA 9 -4.250 -7.475 10.727 74 3HB ALA 9 3HB ALA 9 -3.481 -8.313 9.358 75 H ARG 10 H ARG 10 -5.911 -5.803 10.891 76 HA ARG 10 HA ARG 10 -8.063 -7.385 10.688 77 1HB ARG 10 1HB ARG 10 -7.499 -5.734 12.547 78 2HB ARG 10 2HB ARG 10 -8.150 -4.450 11.547 79 1HG ARG 10 1HG ARG 10 -10.347 -5.750 11.446 80 2HG ARG 10 2HG ARG 10 -9.674 -6.872 12.610 81 1HD ARG 10 1HD ARG 10 -9.662 -3.897 13.213 82 2HD ARG 10 2HD ARG 10 -11.126 -4.827 13.457 83 HE ARG 10 HE ARG 10 -8.736 -6.041 14.661 84 1HH1 ARG 10 2HH2 ARG 10 -11.433 -3.833 15.148 85 2HH1 ARG 10 1HH2 ARG 10 -11.387 -3.956 16.876 86 1HH2 ARG 10 2HH1 ARG 10 -8.675 -6.203 16.940 87 2HH2 ARG 10 1HH1 ARG 10 -9.807 -5.312 17.902 88 H THR 11 H THR 11 -7.804 -3.986 9.395 89 HA THR 11 HA THR 11 -10.274 -3.892 8.156 90 HB THR 11 HB THR 11 -7.575 -2.572 7.597 91 HG1 THR 11 1HG THR 11 -8.502 -1.794 9.501 92 1HG2 THR 11 1HG2 THR 11 -8.927 -2.373 5.525 93 2HG2 THR 11 2HG2 THR 11 -10.351 -1.905 6.484 94 3HG2 THR 11 3HG2 THR 11 -8.940 -0.823 6.400 95 H LEU 12 H LEU 12 -7.099 -4.924 6.745 96 HA LEU 12 HA LEU 12 -7.944 -5.434 4.211 97 1HB LEU 12 1HB LEU 12 -5.706 -6.015 5.844 98 2HB LEU 12 2HB LEU 12 -6.167 -7.517 5.065 99 HG LEU 12 HG LEU 12 -6.093 -6.329 2.855 100 1HD1 LEU 12 1HD1 LEU 12 -5.951 -4.026 4.474 101 2HD1 LEU 12 2HD1 LEU 12 -4.376 -4.162 3.654 102 3HD1 LEU 12 3HD1 LEU 12 -5.877 -4.129 2.699 103 1HD2 LEU 12 1HD2 LEU 12 -3.373 -5.966 3.981 104 2HD2 LEU 12 2HD2 LEU 12 -4.123 -7.564 4.209 105 3HD2 LEU 12 3HD2 LEU 12 -3.926 -6.900 2.569 106 H LYS 13 H LYS 13 -8.026 -7.727 7.026 107 HA LYS 13 HA LYS 13 -9.353 -9.735 5.564 108 1HB LYS 13 1HB LYS 13 -7.952 -9.882 7.737 109 2HB LYS 13 2HB LYS 13 -9.432 -9.438 8.565 110 1HG LYS 13 1HG LYS 13 -9.701 -11.611 6.524 111 2HG LYS 13 2HG LYS 13 -8.753 -12.019 7.940 112 1HD LYS 13 1HD LYS 13 -10.758 -10.975 9.298 113 2HD LYS 13 2HD LYS 13 -11.662 -11.158 7.807 114 1HE LYS 13 1HE LYS 13 -10.097 -13.485 8.994 115 2HE LYS 13 2HE LYS 13 -11.726 -13.122 9.530 116 1HZ LYS 13 1HZ LYS 13 -12.300 -13.176 7.090 117 2HZ LYS 13 2HZ LYS 13 -10.851 -13.891 6.847 118 3HZ LYS 13 3HZ LYS 13 -11.968 -14.610 7.796 119 H ARG 14 H ARG 14 -10.391 -6.800 7.226 120 HA ARG 14 HA ARG 14 -13.072 -7.648 7.473 121 1HB ARG 14 1HB ARG 14 -11.962 -5.865 8.901 122 2HB ARG 14 2HB ARG 14 -11.930 -4.808 7.504 123 1HG ARG 14 1HG ARG 14 -14.236 -4.460 7.526 124 2HG ARG 14 2HG ARG 14 -14.582 -6.038 8.206 125 1HD ARG 14 1HD ARG 14 -14.012 -5.344 10.426 126 2HD ARG 14 2HD ARG 14 -13.131 -3.939 9.861 127 HE ARG 14 HE ARG 14 -15.139 -2.752 9.829 128 1HH1 ARG 14 2HH2 ARG 14 -15.865 -6.191 9.661 129 2HH1 ARG 14 1HH2 ARG 14 -17.580 -5.964 9.756 130 1HH2 ARG 14 2HH1 ARG 14 -17.401 -2.452 9.954 131 2HH2 ARG 14 1HH1 ARG 14 -18.459 -3.823 9.924 132 H ASN 15 H ASN 15 -11.061 -6.205 4.967 133 HA ASN 15 HA ASN 15 -13.329 -5.217 3.517 134 1HB ASN 15 1HB ASN 15 -10.702 -4.426 3.621 135 2HB ASN 15 2HB ASN 15 -10.631 -5.457 2.207 136 1HD2 ASN 15 1HD2 ASN 15 -12.165 -5.082 0.477 137 2HD2 ASN 15 2HD2 ASN 15 -12.714 -3.474 0.135 138 H GLY 16 H GLY 16 -10.831 -7.830 3.395 139 1HA GLY 16 1HA GLY 16 -11.344 -9.993 2.622 140 2HA GLY 16 2HA GLY 16 -12.560 -9.331 1.547 141 H MET 17 H MET 17 -9.151 -8.230 2.091 142 HA MET 17 HA MET 17 -8.731 -8.728 -0.754 143 1HB MET 17 1HB MET 17 -8.480 -6.361 0.726 144 2HB MET 17 2HB MET 17 -6.827 -6.942 0.694 145 1HG MET 17 1HG MET 17 -8.481 -6.832 -1.858 146 2HG MET 17 2HG MET 17 -7.649 -5.407 -1.269 147 1HE MET 17 1HE MET 17 -4.442 -6.148 -0.549 148 2HE MET 17 2HE MET 17 -4.297 -5.577 -2.229 149 3HE MET 17 3HE MET 17 -5.567 -4.917 -1.171 150 H ALA 18 H ALA 18 -7.537 -9.223 2.557 151 HA ALA 18 HA ALA 18 -4.976 -10.167 1.846 152 1HB ALA 18 1HB ALA 18 -6.095 -11.298 4.299 153 2HB ALA 18 2HB ALA 18 -4.736 -10.168 4.086 154 3HB ALA 18 3HB ALA 18 -6.402 -9.549 4.178 155 H GLY 19 H GLY 19 -4.194 -12.372 1.797 156 1HA GLY 19 1HA GLY 19 -4.397 -14.642 1.585 157 2HA GLY 19 2HA GLY 19 -6.139 -14.519 1.725 158 H TYR 20 H TYR 20 -4.832 -12.206 -0.493 159 HA TYR 20 HA TYR 20 -6.246 -13.009 -2.659 160 1HB TYR 20 1HB TYR 20 -4.401 -11.060 -1.955 161 2HB TYR 20 2HB TYR 20 -3.411 -12.011 -3.044 162 HD1 TYR 20 1HD TYR 20 -6.644 -10.157 -2.838 163 HD2 TYR 20 2HD TYR 20 -3.596 -11.749 -5.383 164 HE1 TYR 20 1HE TYR 20 -7.670 -8.957 -4.830 165 HE2 TYR 20 2HE TYR 20 -4.632 -10.544 -7.367 166 HH TYR 20 HH TYR 20 -7.714 -9.283 -7.299 167 H TYR 21 H TYR 21 -5.084 -13.629 -4.895 168 HA TYR 21 HA TYR 21 -4.710 -16.239 -5.048 169 1HB TYR 21 1HB TYR 21 -3.890 -13.794 -6.475 170 2HB TYR 21 2HB TYR 21 -2.657 -15.021 -6.685 171 HD1 TYR 21 1HD TYR 21 -3.433 -17.351 -7.536 172 HD2 TYR 21 2HD TYR 21 -5.824 -13.813 -7.809 173 HE1 TYR 21 1HE TYR 21 -4.826 -18.425 -9.369 174 HE2 TYR 21 2HE TYR 21 -7.209 -14.901 -9.643 175 HH TYR 21 HH TYR 21 -6.218 -17.581 -11.300 176 H GLY 22 H GLY 22 -1.925 -13.945 -4.569 177 1HA GLY 22 1HA GLY 22 -0.425 -16.225 -3.422 178 2HA GLY 22 2HA GLY 22 0.297 -14.958 -4.394 179 H VAL 23 H VAL 23 -0.251 -12.591 -3.530 180 HA VAL 23 HA VAL 23 1.038 -12.210 -1.180 181 HB VAL 23 HB VAL 23 0.613 -10.452 -2.751 182 1HG1 VAL 23 1HG1 VAL 23 -1.630 -9.421 -2.998 183 2HG1 VAL 23 2HG1 VAL 23 -1.583 -11.108 -3.566 184 3HG1 VAL 23 3HG1 VAL 23 -2.316 -10.718 -1.991 185 1HG2 VAL 23 1HG2 VAL 23 -0.178 -8.649 -1.219 186 2HG2 VAL 23 2HG2 VAL 23 -0.677 -9.903 -0.058 187 3HG2 VAL 23 3HG2 VAL 23 1.041 -9.719 -0.487 188 H SER 24 H SER 24 0.633 -13.102 0.779 189 HA SER 24 HA SER 24 -2.115 -13.618 1.471 190 1HB SER 24 1HB SER 24 0.575 -14.514 2.466 191 2HB SER 24 2HB SER 24 -0.744 -14.525 3.619 192 HG SER 24 HG SER 24 -1.767 -15.623 1.416 193 H LEU 25 H LEU 25 -2.776 -13.098 3.844 194 HA LEU 25 HA LEU 25 -2.796 -10.396 4.235 195 1HB LEU 25 1HB LEU 25 -4.413 -11.735 5.281 196 2HB LEU 25 2HB LEU 25 -3.213 -12.730 6.082 197 HG LEU 25 HG LEU 25 -2.581 -10.786 7.502 198 1HD1 LEU 25 1HD1 LEU 25 -3.499 -8.716 7.360 199 2HD1 LEU 25 2HD1 LEU 25 -3.678 -9.193 5.654 200 3HD1 LEU 25 3HD1 LEU 25 -5.064 -9.323 6.765 201 1HD2 LEU 25 1HD2 LEU 25 -4.498 -12.567 7.926 202 2HD2 LEU 25 2HD2 LEU 25 -4.190 -11.229 9.057 203 3HD2 LEU 25 3HD2 LEU 25 -5.523 -11.113 7.884 204 H ALA 26 H ALA 26 -0.504 -12.853 5.546 205 HA ALA 26 HA ALA 26 0.890 -11.107 7.217 206 1HB ALA 26 1HB ALA 26 1.241 -13.800 6.023 207 2HB ALA 26 2HB ALA 26 2.750 -12.972 6.473 208 3HB ALA 26 3HB ALA 26 1.488 -13.249 7.697 209 H ASP 27 H ASP 27 1.260 -11.960 3.731 210 HA ASP 27 HA ASP 27 3.642 -10.624 3.353 211 1HB ASP 27 1HB ASP 27 1.333 -11.459 1.598 212 2HB ASP 27 2HB ASP 27 2.525 -10.374 0.911 213 H TRP 28 H TRP 28 0.183 -9.600 3.221 214 HA TRP 28 HA TRP 28 0.632 -7.045 2.146 215 1HB TRP 28 1HB TRP 28 -1.608 -8.320 3.691 216 2HB TRP 28 2HB TRP 28 -1.647 -6.614 3.292 217 HD1 TRP 28 HD TRP 28 -2.667 -9.857 1.860 218 HE1 TRP 28 1HE TRP 28 -3.297 -9.736 -0.699 219 HE3 TRP 28 3HE TRP 28 -0.633 -5.270 1.037 220 HZ2 TRP 28 2HZ TRP 28 -2.883 -7.780 -2.736 221 HZ3 TRP 28 3HZ TRP 28 -0.789 -4.327 -1.266 222 HH2 TRP 28 HH TRP 28 -1.866 -5.504 -3.117 223 H VAL 29 H VAL 29 -0.097 -8.107 5.555 224 HA VAL 29 HA VAL 29 0.345 -5.700 6.775 225 HB VAL 29 HB VAL 29 0.883 -8.514 7.744 226 1HG1 VAL 29 1HG1 VAL 29 0.243 -6.275 9.626 227 2HG1 VAL 29 2HG1 VAL 29 1.171 -7.769 9.896 228 3HG1 VAL 29 3HG1 VAL 29 1.906 -6.412 9.009 229 1HG2 VAL 29 1HG2 VAL 29 -1.391 -7.838 8.964 230 2HG2 VAL 29 2HG2 VAL 29 -1.548 -6.786 7.537 231 3HG2 VAL 29 3HG2 VAL 29 -1.370 -8.545 7.331 232 H CYS 30 H CYS 30 2.759 -8.391 6.358 233 HA CYS 30 HA CYS 30 4.910 -7.080 7.399 234 1HB CYS 30 1HB CYS 30 6.192 -8.763 6.561 235 2HB CYS 30 2HB CYS 30 4.608 -9.508 6.498 236 H LEU 31 H LEU 31 3.503 -6.987 4.073 237 HA LEU 31 HA LEU 31 5.507 -5.454 2.896 238 1HB LEU 31 1HB LEU 31 4.078 -6.530 1.443 239 2HB LEU 31 2HB LEU 31 2.636 -6.044 2.313 240 HG LEU 31 HG LEU 31 3.218 -3.641 1.533 241 1HD1 LEU 31 1HD1 LEU 31 4.940 -3.288 0.177 242 2HD1 LEU 31 2HD1 LEU 31 5.448 -4.968 0.477 243 3HD1 LEU 31 3HD1 LEU 31 4.417 -4.587 -0.923 244 1HD2 LEU 31 1HD2 LEU 31 2.417 -4.771 -0.938 245 2HD2 LEU 31 2HD2 LEU 31 1.736 -5.790 0.353 246 3HD2 LEU 31 3HD2 LEU 31 1.401 -4.042 0.330 247 H ALA 32 H ALA 32 2.286 -4.396 4.219 248 HA ALA 32 HA ALA 32 2.810 -1.676 3.960 249 1HB ALA 32 1HB ALA 32 0.619 -3.029 4.443 250 2HB ALA 32 2HB ALA 32 1.082 -2.829 6.151 251 3HB ALA 32 3HB ALA 32 0.803 -1.398 5.130 252 H GLN 33 H GLN 33 4.000 -4.082 6.211 253 HA GLN 33 HA GLN 33 4.545 -2.282 8.305 254 1HB GLN 33 1HB GLN 33 4.336 -4.868 8.377 255 2HB GLN 33 2HB GLN 33 5.989 -4.908 7.797 256 1HG GLN 33 1HG GLN 33 5.249 -3.236 10.224 257 2HG GLN 33 2HG GLN 33 5.553 -4.955 10.389 258 1HE2 GLN 33 1HE2 GLN 33 7.589 -5.803 9.586 259 2HE2 GLN 33 2HE2 GLN 33 9.024 -4.836 9.668 260 H HIS 34 H HIS 34 6.641 -3.894 5.805 261 HA HIS 34 HA HIS 34 8.954 -2.524 6.518 262 1HB HIS 34 1HB HIS 34 8.617 -4.626 5.063 263 2HB HIS 34 2HB HIS 34 8.337 -3.516 3.735 264 HD1 HIS 34 1HD HIS 34 10.692 -1.598 5.363 265 HD2 HIS 34 2HD HIS 34 10.979 -5.326 3.460 266 HE1 HIS 34 1HE HIS 34 13.152 -1.905 4.758 267 HE2 HIS 34 2HE HIS 34 13.275 -4.236 3.641 268 H GLU 35 H GLU 35 6.089 -1.552 4.740 269 HA GLU 35 HA GLU 35 7.344 0.523 3.306 270 1HB GLU 35 1HB GLU 35 4.406 0.160 4.044 271 2HB GLU 35 2HB GLU 35 5.018 1.257 2.822 272 1HG GLU 35 1HG GLU 35 5.995 -1.518 2.477 273 2HG GLU 35 2HG GLU 35 4.250 -1.394 2.390 274 H SER 36 H SER 36 4.992 0.606 6.090 275 HA SER 36 HA SER 36 6.269 2.008 7.866 276 1HB SER 36 1HB SER 36 5.713 3.812 5.547 277 2HB SER 36 2HB SER 36 5.353 4.478 7.127 278 HG SER 36 HG SER 36 7.786 3.193 7.194 279 H ASN 37 H ASN 37 4.403 0.493 8.518 280 HA ASN 37 HA ASN 37 1.779 1.223 8.125 281 1HB ASN 37 1HB ASN 37 1.273 -0.346 9.938 282 2HB ASN 37 2HB ASN 37 2.615 -1.000 9.021 283 1HD2 ASN 37 1HD2 ASN 37 1.574 0.463 11.989 284 2HD2 ASN 37 2HD2 ASN 37 3.001 0.185 12.930 285 H TYR 38 H TYR 38 0.375 2.630 9.295 286 HA TYR 38 HA TYR 38 0.394 3.508 11.776 287 1HB TYR 38 1HB TYR 38 1.870 5.586 11.710 288 2HB TYR 38 2HB TYR 38 2.805 4.115 11.534 289 HD1 TYR 38 1HD TYR 38 4.421 6.059 10.690 290 HD2 TYR 38 2HD TYR 38 1.018 4.608 8.540 291 HE1 TYR 38 1HE TYR 38 5.404 6.945 8.519 292 HE2 TYR 38 2HE TYR 38 2.013 5.499 6.377 293 HH TYR 38 HH TYR 38 4.446 7.711 6.291 294 H ASN 39 H ASN 39 0.911 6.516 10.516 295 HA ASN 39 HA ASN 39 -1.880 6.734 9.852 296 1HB ASN 39 1HB ASN 39 -0.158 9.167 9.696 297 2HB ASN 39 2HB ASN 39 -1.683 8.942 10.530 298 1HD2 ASN 39 1HD2 ASN 39 -1.282 9.620 12.517 299 2HD2 ASN 39 2HD2 ASN 39 -0.057 9.017 13.582 300 H THR 40 H THR 40 -2.618 7.419 7.756 301 HA THR 40 HA THR 40 -0.839 6.912 5.590 302 HB THR 40 HB THR 40 -2.923 7.556 4.276 303 HG1 THR 40 1HG THR 40 -4.330 8.784 5.461 304 1HG2 THR 40 1HG2 THR 40 -3.160 5.649 6.646 305 2HG2 THR 40 2HG2 THR 40 -4.515 5.900 5.520 306 3HG2 THR 40 3HG2 THR 40 -2.972 5.242 4.924 307 H ARG 41 H ARG 41 0.595 8.727 6.890 308 HA ARG 41 HA ARG 41 -0.053 11.267 5.661 309 1HB ARG 41 1HB ARG 41 0.467 11.227 8.114 310 2HB ARG 41 2HB ARG 41 2.047 10.554 7.772 311 1HG ARG 41 1HG ARG 41 2.911 12.596 7.257 312 2HG ARG 41 2HG ARG 41 1.586 12.965 6.171 313 1HD ARG 41 1HD ARG 41 1.307 14.605 7.835 314 2HD ARG 41 2HD ARG 41 0.192 13.365 8.375 315 HE ARG 41 HE ARG 41 2.479 12.613 9.665 316 1HH1 ARG 41 2HH2 ARG 41 0.899 15.743 9.363 317 2HH1 ARG 41 1HH2 ARG 41 1.470 16.322 10.893 318 1HH2 ARG 41 2HH1 ARG 41 3.232 13.376 11.684 319 2HH2 ARG 41 1HH1 ARG 41 2.805 14.966 12.221 320 H ALA 42 H ALA 42 1.544 8.490 4.842 321 HA ALA 42 HA ALA 42 4.107 9.202 4.137 322 1HB ALA 42 1HB ALA 42 3.629 6.939 3.940 323 2HB ALA 42 2HB ALA 42 2.064 7.228 3.145 324 3HB ALA 42 3HB ALA 42 3.577 7.438 2.232 325 H THR 43 H THR 43 4.463 11.222 3.239 326 HA THR 43 HA THR 43 3.452 11.554 0.522 327 HB THR 43 HB THR 43 3.002 14.044 1.266 328 HG1 THR 43 1HG THR 43 3.135 14.257 3.471 329 1HG2 THR 43 1HG2 THR 43 1.281 11.896 0.992 330 2HG2 THR 43 2HG2 THR 43 1.017 12.333 2.697 331 3HG2 THR 43 3HG2 THR 43 0.751 13.541 1.417 332 H ASN 44 H ASN 44 5.124 11.893 -0.787 333 HA ASN 44 HA ASN 44 7.202 13.644 0.152 334 1HB ASN 44 1HB ASN 44 7.629 10.947 0.469 335 2HB ASN 44 2HB ASN 44 8.193 11.139 -1.179 336 1HD2 ASN 44 1HD2 ASN 44 9.880 10.386 0.836 337 2HD2 ASN 44 2HD2 ASN 44 11.039 11.628 1.171 338 H TYR 45 H TYR 45 6.730 15.121 -1.551 339 HA TYR 45 HA TYR 45 6.361 14.089 -4.232 340 1HB TYR 45 1HB TYR 45 5.810 16.486 -4.633 341 2HB TYR 45 2HB TYR 45 5.022 15.981 -3.152 342 HD1 TYR 45 1HD TYR 45 7.688 18.055 -4.592 343 HD2 TYR 45 2HD TYR 45 5.785 16.803 -0.970 344 HE1 TYR 45 1HE TYR 45 8.811 19.958 -3.337 345 HE2 TYR 45 2HE TYR 45 6.915 18.711 0.274 346 HH TYR 45 HH TYR 45 7.816 21.029 -0.424 347 H ASN 46 H ASN 46 7.586 15.057 -6.081 348 HA ASN 46 HA ASN 46 10.073 16.272 -5.463 349 1HB ASN 46 1HB ASN 46 9.956 13.384 -6.458 350 2HB ASN 46 2HB ASN 46 11.368 14.389 -6.718 351 1HD2 ASN 46 1HD2 ASN 46 10.443 11.988 -4.942 352 2HD2 ASN 46 2HD2 ASN 46 11.139 12.327 -3.393 353 H ARG 47 H ARG 47 9.806 17.866 -7.056 354 HA ARG 47 HA ARG 47 8.468 17.274 -9.461 355 1HB ARG 47 1HB ARG 47 8.820 19.562 -8.094 356 2HB ARG 47 2HB ARG 47 10.215 19.726 -9.142 357 1HG ARG 47 1HG ARG 47 8.001 18.899 -10.788 358 2HG ARG 47 2HG ARG 47 7.431 20.203 -9.765 359 1HD ARG 47 1HD ARG 47 9.998 21.050 -10.609 360 2HD ARG 47 2HD ARG 47 9.297 20.308 -12.034 361 HE ARG 47 HE ARG 47 7.772 22.076 -12.169 362 1HH1 ARG 47 2HH2 ARG 47 9.125 21.982 -8.922 363 2HH1 ARG 47 1HH2 ARG 47 8.371 23.460 -8.427 364 1HH2 ARG 47 2HH1 ARG 47 6.778 24.026 -11.516 365 2HH2 ARG 47 1HH1 ARG 47 7.027 24.631 -9.913 366 H GLY 48 H GLY 48 11.868 17.530 -8.380 367 1HA GLY 48 1HA GLY 48 13.340 17.884 -10.590 368 2HA GLY 48 2HA GLY 48 13.738 16.702 -9.360 369 H ASP 49 H ASP 49 11.504 14.888 -9.740 370 HA ASP 49 HA ASP 49 12.157 13.939 -12.419 371 1HB ASP 49 1HB ASP 49 12.663 12.684 -9.977 372 2HB ASP 49 2HB ASP 49 11.150 11.945 -10.466 373 H GLN 50 H GLN 50 9.953 15.763 -11.587 374 HA GLN 50 HA GLN 50 7.741 15.881 -11.369 375 1HB GLN 50 1HB GLN 50 6.639 15.334 -13.511 376 2HB GLN 50 2HB GLN 50 8.214 16.053 -13.784 377 1HG GLN 50 1HG GLN 50 9.214 13.932 -14.326 378 2HG GLN 50 2HG GLN 50 7.863 13.033 -13.665 379 1HE2 GLN 50 1HE2 GLN 50 8.731 12.461 -16.143 380 2HE2 GLN 50 2HE2 GLN 50 7.603 12.968 -17.356 381 H SER 51 H SER 51 8.421 13.912 -9.588 382 HA SER 51 HA SER 51 6.181 12.113 -9.921 383 1HB SER 51 1HB SER 51 8.998 11.199 -9.187 384 2HB SER 51 2HB SER 51 7.571 10.188 -9.087 385 HG SER 51 HG SER 51 9.130 10.519 -11.210 386 H THR 52 H THR 52 5.432 11.206 -7.816 387 HA THR 52 HA THR 52 6.623 12.437 -5.454 388 HB THR 52 HB THR 52 3.782 12.879 -6.489 389 HG1 THR 52 1HG THR 52 4.678 14.910 -6.684 390 1HG2 THR 52 1HG2 THR 52 3.916 14.319 -4.173 391 2HG2 THR 52 2HG2 THR 52 3.193 12.693 -4.245 392 3HG2 THR 52 3HG2 THR 52 4.872 12.897 -3.688 393 H ASP 53 H ASP 53 6.671 11.103 -3.731 394 HA ASP 53 HA ASP 53 5.385 8.546 -4.154 395 1HB ASP 53 1HB ASP 53 7.780 9.544 -2.702 396 2HB ASP 53 2HB ASP 53 6.874 8.336 -1.813 397 H TYR 54 H TYR 54 3.220 8.857 -3.416 398 HA TYR 54 HA TYR 54 2.978 9.720 -0.614 399 1HB TYR 54 1HB TYR 54 1.565 10.406 -3.212 400 2HB TYR 54 2HB TYR 54 0.544 10.280 -1.793 401 HD1 TYR 54 1HD TYR 54 -0.040 12.385 -1.025 402 HD2 TYR 54 2HD TYR 54 3.968 11.724 -2.365 403 HE1 TYR 54 1HE TYR 54 0.577 14.764 -0.375 404 HE2 TYR 54 2HE TYR 54 4.572 14.106 -1.710 405 HH TYR 54 HH TYR 54 3.779 16.061 -1.112 406 H GLY 55 H GLY 55 1.052 8.816 0.517 407 1HA GLY 55 1HA GLY 55 -0.710 7.241 0.591 408 2HA GLY 55 2HA GLY 55 0.046 6.329 -0.702 409 H ILE 56 H ILE 56 -0.814 5.382 1.983 410 HA ILE 56 HA ILE 56 1.279 5.130 3.760 411 HB ILE 56 HB ILE 56 -1.153 4.558 4.062 412 1HG1 ILE 56 1HG1 ILE 56 0.595 2.308 5.033 413 2HG1 ILE 56 2HG1 ILE 56 0.888 3.949 5.574 414 1HG2 ILE 56 1HG2 ILE 56 -0.457 1.806 3.060 415 2HG2 ILE 56 2HG2 ILE 56 -2.053 2.524 3.389 416 3HG2 ILE 56 3HG2 ILE 56 -1.119 3.045 1.966 417 1HD1 ILE 56 1HD1 ILE 56 -0.606 3.067 7.196 418 2HD1 ILE 56 2HD1 ILE 56 -1.657 4.031 6.132 419 3HD1 ILE 56 3HD1 ILE 56 -1.604 2.259 5.964 420 H PHE 57 H PHE 57 0.526 3.318 0.759 421 HA PHE 57 HA PHE 57 2.747 1.529 1.249 422 1HB PHE 57 1HB PHE 57 0.557 1.946 -0.847 423 2HB PHE 57 2HB PHE 57 1.883 0.854 -1.192 424 HD1 PHE 57 1HD PHE 57 -1.357 0.798 -0.307 425 HD2 PHE 57 2HD PHE 57 2.352 -0.665 1.145 426 HE1 PHE 57 1HE PHE 57 -2.558 -1.043 0.905 427 HE2 PHE 57 2HE PHE 57 1.152 -2.506 2.356 428 HZ PHE 57 HZ PHE 57 -1.289 -2.673 2.221 429 H GLN 58 H GLN 58 3.101 4.539 0.814 430 HA GLN 58 HA GLN 58 4.195 5.948 -0.479 431 1HB GLN 58 1HB GLN 58 5.897 4.345 0.762 432 2HB GLN 58 2HB GLN 58 6.284 3.793 -0.855 433 1HG GLN 58 1HG GLN 58 7.653 5.586 -1.077 434 2HG GLN 58 2HG GLN 58 6.234 6.615 -1.068 435 1HE2 GLN 58 1HE2 GLN 58 6.674 8.282 0.163 436 2HE2 GLN 58 2HE2 GLN 58 7.308 8.251 1.775 437 H ILE 59 H ILE 59 2.427 5.585 -2.207 438 HA ILE 59 HA ILE 59 3.431 4.143 -4.527 439 HB ILE 59 HB ILE 59 0.773 5.298 -3.737 440 1HG1 ILE 59 1HG1 ILE 59 1.560 2.502 -4.598 441 2HG1 ILE 59 2HG1 ILE 59 1.505 3.033 -2.929 442 1HG2 ILE 59 1HG2 ILE 59 1.429 4.152 -6.462 443 2HG2 ILE 59 2HG2 ILE 59 -0.135 4.787 -5.897 444 3HG2 ILE 59 3HG2 ILE 59 1.247 5.887 -6.114 445 1HD1 ILE 59 1HD1 ILE 59 -0.644 2.174 -3.135 446 2HD1 ILE 59 2HD1 ILE 59 -0.954 3.857 -3.626 447 3HD1 ILE 59 3HD1 ILE 59 -0.758 2.590 -4.861 448 H ASN 60 H ASN 60 4.037 5.123 -6.454 449 HA ASN 60 HA ASN 60 4.810 7.836 -6.180 450 1HB ASN 60 1HB ASN 60 5.582 5.601 -7.768 451 2HB ASN 60 2HB ASN 60 4.968 6.772 -8.917 452 1HD2 ASN 60 1HD2 ASN 60 7.701 5.713 -7.935 453 2HD2 ASN 60 2HD2 ASN 60 8.680 7.132 -7.771 454 H SER 61 H SER 61 3.660 9.632 -6.958 455 HA SER 61 HA SER 61 1.138 9.076 -8.211 456 1HB SER 61 1HB SER 61 2.438 11.527 -6.993 457 2HB SER 61 2HB SER 61 1.017 11.706 -8.005 458 HG SER 61 HG SER 61 0.673 11.426 -5.605 459 H ARG 62 H ARG 62 3.999 8.896 -9.511 460 HA ARG 62 HA ARG 62 3.750 10.917 -11.529 461 1HB ARG 62 1HB ARG 62 5.927 10.131 -12.307 462 2HB ARG 62 2HB ARG 62 5.986 10.229 -10.558 463 1HG ARG 62 1HG ARG 62 6.548 8.038 -10.456 464 2HG ARG 62 2HG ARG 62 5.010 7.610 -11.177 465 1HD ARG 62 1HD ARG 62 6.103 6.926 -13.044 466 2HD ARG 62 2HD ARG 62 6.622 8.577 -13.326 467 HE ARG 62 HE ARG 62 8.284 7.317 -11.317 468 1HH1 ARG 62 2HH2 ARG 62 7.726 7.456 -14.788 469 2HH1 ARG 62 1HH2 ARG 62 9.348 7.006 -15.197 470 1HH2 ARG 62 2HH1 ARG 62 10.425 6.724 -11.855 471 2HH2 ARG 62 1HH1 ARG 62 10.893 6.586 -13.517 472 H TYR 63 H TYR 63 2.547 7.781 -10.918 473 HA TYR 63 HA TYR 63 1.880 7.469 -13.748 474 1HB TYR 63 1HB TYR 63 3.884 6.025 -12.471 475 2HB TYR 63 2HB TYR 63 2.495 5.043 -12.046 476 HD1 TYR 63 1HD TYR 63 1.363 3.686 -13.695 477 HD2 TYR 63 2HD TYR 63 4.551 6.295 -14.852 478 HE1 TYR 63 1HE TYR 63 1.492 2.538 -15.959 479 HE2 TYR 63 2HE TYR 63 4.668 5.138 -17.112 480 HH TYR 63 HH TYR 63 3.875 2.490 -17.821 481 H TRP 64 H TRP 64 1.392 6.303 -10.348 482 HA TRP 64 HA TRP 64 -1.333 5.556 -11.054 483 1HB TRP 64 1HB TRP 64 0.153 5.191 -8.449 484 2HB TRP 64 2HB TRP 64 -1.399 4.502 -8.879 485 HD1 TRP 64 HD TRP 64 -1.290 2.592 -10.964 486 HE1 TRP 64 1HE TRP 64 0.535 0.795 -11.597 487 HE3 TRP 64 3HE TRP 64 2.523 4.805 -8.431 488 HZ2 TRP 64 2HZ TRP 64 3.307 0.506 -10.982 489 HZ3 TRP 64 3HZ TRP 64 4.757 3.701 -8.499 490 HH2 TRP 64 HH TRP 64 5.181 1.625 -9.717 491 H CYS 65 H CYS 65 -3.164 6.575 -10.095 492 HA CYS 65 HA CYS 65 -4.337 8.257 -9.318 493 1HB CYS 65 1HB CYS 65 -4.021 8.869 -7.163 494 2HB CYS 65 2HB CYS 65 -2.959 7.477 -7.218 495 H ASN 66 H ASN 66 -4.441 10.727 -9.211 496 HA ASN 66 HA ASN 66 -2.134 11.995 -10.392 497 1HB ASN 66 1HB ASN 66 -4.667 11.420 -11.807 498 2HB ASN 66 2HB ASN 66 -4.307 13.135 -11.797 499 1HD2 ASN 66 1HD2 ASN 66 -3.767 13.358 -13.894 500 2HD2 ASN 66 2HD2 ASN 66 -2.379 12.647 -14.647 501 H ASP 67 H ASP 67 -3.233 14.536 -10.869 502 HA ASP 67 HA ASP 67 -4.730 15.156 -8.460 503 1HB ASP 67 1HB ASP 67 -2.364 15.630 -7.955 504 2HB ASP 67 2HB ASP 67 -2.194 16.546 -9.440 505 H GLY 68 H GLY 68 -3.158 16.528 -11.455 506 1HA GLY 68 1HA GLY 68 -4.679 17.218 -13.242 507 2HA GLY 68 2HA GLY 68 -5.682 17.967 -12.017 508 H LYS 69 H LYS 69 -2.598 18.408 -10.855 509 HA LYS 69 HA LYS 69 -2.532 21.108 -11.930 510 1HB LYS 69 1HB LYS 69 -1.884 19.853 -9.412 511 2HB LYS 69 2HB LYS 69 -0.483 20.715 -10.016 512 1HG LYS 69 1HG LYS 69 -1.494 22.548 -9.087 513 2HG LYS 69 2HG LYS 69 -2.438 22.559 -10.564 514 1HD LYS 69 1HD LYS 69 -4.091 20.976 -9.352 515 2HD LYS 69 2HD LYS 69 -3.220 21.350 -7.878 516 1HE LYS 69 1HE LYS 69 -4.399 23.503 -9.692 517 2HE LYS 69 2HE LYS 69 -5.284 22.804 -8.350 518 1HZ LYS 69 1HZ LYS 69 -4.260 24.636 -7.455 519 2HZ LYS 69 2HZ LYS 69 -3.238 23.443 -7.011 520 3HZ LYS 69 3HZ LYS 69 -2.856 24.420 -8.262 521 H THR 70 H THR 70 -1.058 17.985 -12.345 522 HA THR 70 HA THR 70 1.016 19.255 -14.007 523 HB THR 70 HB THR 70 2.132 18.385 -12.033 524 HG1 THR 70 1HG THR 70 2.077 16.260 -14.049 525 1HG2 THR 70 1HG2 THR 70 0.312 16.862 -11.203 526 2HG2 THR 70 2HG2 THR 70 0.619 15.776 -12.581 527 3HG2 THR 70 3HG2 THR 70 1.870 16.010 -11.336 528 HA PRO 71 HA PRO 71 -1.346 16.767 -16.788 529 1HB PRO 71 1HB PRO 71 -0.997 18.358 -18.982 530 2HB PRO 71 2HB PRO 71 -2.339 18.539 -17.870 531 1HG PRO 71 1HG PRO 71 0.078 20.217 -18.144 532 2HG PRO 71 2HG PRO 71 -1.442 20.602 -17.363 533 1HD PRO 71 1HD PRO 71 1.015 19.884 -16.071 534 2HD PRO 71 2HD PRO 71 -0.534 20.156 -15.299 535 H ARG 72 H ARG 72 0.828 15.605 -15.997 536 HA ARG 72 HA ARG 72 2.074 15.025 -18.545 537 1HB ARG 72 1HB ARG 72 3.367 16.409 -16.402 538 2HB ARG 72 2HB ARG 72 4.023 14.783 -16.380 539 1HG ARG 72 1HG ARG 72 5.417 15.504 -18.035 540 2HG ARG 72 2HG ARG 72 4.032 15.335 -19.097 541 1HD ARG 72 1HD ARG 72 3.406 17.715 -18.687 542 2HD ARG 72 2HD ARG 72 4.754 17.892 -17.581 543 HE ARG 72 HE ARG 72 5.756 16.907 -20.078 544 1HH1 ARG 72 2HH2 ARG 72 4.369 19.827 -18.686 545 2HH1 ARG 72 1HH2 ARG 72 5.172 20.889 -19.794 546 1HH2 ARG 72 2HH1 ARG 72 6.814 18.309 -21.540 547 2HH2 ARG 72 1HH1 ARG 72 6.572 20.020 -21.429 548 H ALA 73 H ALA 73 1.600 14.156 -15.064 549 HA ALA 73 HA ALA 73 2.528 11.571 -15.126 550 1HB ALA 73 1HB ALA 73 1.189 13.279 -13.346 551 2HB ALA 73 2HB ALA 73 0.116 11.869 -13.508 552 3HB ALA 73 3HB ALA 73 1.805 11.646 -12.996 553 H VAL 74 H VAL 74 0.848 9.609 -14.731 554 HA VAL 74 HA VAL 74 -1.305 9.764 -16.681 555 HB VAL 74 HB VAL 74 0.471 9.035 -18.058 556 1HG1 VAL 74 1HG1 VAL 74 1.678 6.798 -17.285 557 2HG1 VAL 74 2HG1 VAL 74 2.271 8.400 -16.781 558 3HG1 VAL 74 3HG1 VAL 74 1.282 7.425 -15.667 559 1HG2 VAL 74 1HG2 VAL 74 -1.785 7.590 -17.761 560 2HG2 VAL 74 2HG2 VAL 74 -0.529 7.203 -18.961 561 3HG2 VAL 74 3HG2 VAL 74 -0.581 6.327 -17.412 562 H ASN 75 H ASN 75 -2.163 9.883 -14.297 563 HA ASN 75 HA ASN 75 -2.032 7.992 -12.477 564 1HB ASN 75 1HB ASN 75 -4.598 8.371 -12.154 565 2HB ASN 75 2HB ASN 75 -3.563 9.783 -12.076 566 1HD2 ASN 75 1HD2 ASN 75 -6.080 10.289 -12.549 567 2HD2 ASN 75 2HD2 ASN 75 -6.404 10.714 -14.197 568 H ALA 76 H ALA 76 -1.783 5.785 -13.037 569 HA ALA 76 HA ALA 76 -3.354 4.609 -15.110 570 1HB ALA 76 1HB ALA 76 -1.162 3.758 -14.842 571 2HB ALA 76 2HB ALA 76 -1.338 3.618 -13.076 572 3HB ALA 76 3HB ALA 76 -2.211 2.499 -14.150 573 H CYS 77 H CYS 77 -3.736 5.258 -11.701 574 HA CYS 77 HA CYS 77 -5.667 3.137 -11.372 575 1HB CYS 77 1HB CYS 77 -3.924 4.222 -9.641 576 2HB CYS 77 2HB CYS 77 -5.310 5.239 -9.302 577 H GLY 78 H GLY 78 -5.411 6.564 -12.178 578 1HA GLY 78 1HA GLY 78 -6.941 8.101 -12.763 579 2HA GLY 78 2HA GLY 78 -8.049 6.778 -13.071 580 H ILE 79 H ILE 79 -6.473 7.841 -9.980 581 HA ILE 79 HA ILE 79 -9.109 8.613 -8.994 582 HB ILE 79 HB ILE 79 -9.202 7.143 -7.298 583 1HG1 ILE 79 1HG1 ILE 79 -6.257 7.501 -7.186 584 2HG1 ILE 79 2HG1 ILE 79 -7.450 7.537 -5.903 585 1HG2 ILE 79 1HG2 ILE 79 -9.065 5.872 -9.459 586 2HG2 ILE 79 2HG2 ILE 79 -7.364 5.522 -9.072 587 3HG2 ILE 79 3HG2 ILE 79 -8.659 4.933 -8.004 588 1HD1 ILE 79 1HD1 ILE 79 -6.277 5.080 -7.269 589 2HD1 ILE 79 2HD1 ILE 79 -6.146 5.545 -5.557 590 3HD1 ILE 79 3HD1 ILE 79 -7.708 5.001 -6.213 591 H ASN 80 H ASN 80 -9.004 10.076 -7.142 592 HA ASN 80 HA ASN 80 -6.910 11.893 -7.451 593 1HB ASN 80 1HB ASN 80 -7.977 12.960 -5.360 594 2HB ASN 80 2HB ASN 80 -9.055 12.734 -6.723 595 1HD2 ASN 80 1HD2 ASN 80 -9.281 12.787 -3.671 596 2HD2 ASN 80 2HD2 ASN 80 -10.269 11.421 -3.274 597 H CYS 81 H CYS 81 -4.860 11.743 -6.528 598 HA CYS 81 HA CYS 81 -3.987 9.709 -4.989 599 1HB CYS 81 1HB CYS 81 -2.928 12.533 -4.795 600 2HB CYS 81 2HB CYS 81 -2.060 11.049 -4.454 601 H SER 82 H SER 82 -5.849 12.582 -4.068 602 HA SER 82 HA SER 82 -5.262 12.693 -1.396 603 1HB SER 82 1HB SER 82 -7.018 13.966 -3.153 604 2HB SER 82 2HB SER 82 -8.109 13.178 -2.030 605 HG SER 82 HG SER 82 -6.181 14.252 -0.511 606 H ALA 83 H ALA 83 -7.480 10.560 -3.240 607 HA ALA 83 HA ALA 83 -8.923 9.520 -1.110 608 1HB ALA 83 1HB ALA 83 -8.049 8.081 -3.645 609 2HB ALA 83 2HB ALA 83 -9.489 7.743 -2.655 610 3HB ALA 83 3HB ALA 83 -9.379 9.263 -3.576 611 H LEU 84 H LEU 84 -5.564 9.173 -2.003 612 HA LEU 84 HA LEU 84 -5.312 6.731 -0.438 613 1HB LEU 84 1HB LEU 84 -3.281 8.251 -2.079 614 2HB LEU 84 2HB LEU 84 -3.008 6.721 -1.273 615 HG LEU 84 HG LEU 84 -5.319 6.653 -3.078 616 1HD1 LEU 84 1HD1 LEU 84 -3.269 6.464 -4.946 617 2HD1 LEU 84 2HD1 LEU 84 -4.467 7.773 -4.802 618 3HD1 LEU 84 3HD1 LEU 84 -2.878 7.930 -4.016 619 1HD2 LEU 84 1HD2 LEU 84 -2.999 4.895 -3.548 620 2HD2 LEU 84 2HD2 LEU 84 -3.677 4.828 -1.903 621 3HD2 LEU 84 3HD2 LEU 84 -4.718 4.502 -3.309 622 H LEU 85 H LEU 85 -5.777 9.839 0.326 623 HA LEU 85 HA LEU 85 -3.991 9.629 2.627 624 1HB LEU 85 1HB LEU 85 -3.527 11.369 0.497 625 2HB LEU 85 2HB LEU 85 -4.286 12.369 1.719 626 HG LEU 85 HG LEU 85 -2.384 10.902 3.144 627 1HD1 LEU 85 1HD1 LEU 85 -0.341 10.956 1.991 628 2HD1 LEU 85 2HD1 LEU 85 -1.502 10.261 0.832 629 3HD1 LEU 85 3HD1 LEU 85 -1.002 11.963 0.680 630 1HD2 LEU 85 1HD2 LEU 85 -2.429 13.007 3.906 631 2HD2 LEU 85 2HD2 LEU 85 -1.156 13.307 2.697 632 3HD2 LEU 85 3HD2 LEU 85 -2.853 13.683 2.314 633 H GLN 86 H GLN 86 -6.779 8.904 2.301 634 HA GLN 86 HA GLN 86 -8.002 11.071 3.823 635 1HB GLN 86 1HB GLN 86 -10.161 10.344 2.988 636 2HB GLN 86 2HB GLN 86 -9.085 10.535 1.619 637 1HG GLN 86 1HG GLN 86 -8.757 8.157 1.404 638 2HG GLN 86 2HG GLN 86 -9.438 7.840 2.988 639 1HE2 GLN 86 1HE2 GLN 86 -10.062 7.184 0.031 640 2HE2 GLN 86 2HE2 GLN 86 -11.774 7.410 -0.108 641 H ASP 87 H ASP 87 -10.275 9.336 4.640 642 HA ASP 87 HA ASP 87 -8.926 8.115 6.847 643 1HB ASP 87 1HB ASP 87 -11.731 7.552 6.913 644 2HB ASP 87 2HB ASP 87 -10.845 8.704 7.892 645 H ASP 88 H ASP 88 -11.489 7.166 4.422 646 HA ASP 88 HA ASP 88 -11.246 4.439 5.020 647 1HB ASP 88 1HB ASP 88 -12.411 5.889 2.597 648 2HB ASP 88 2HB ASP 88 -12.601 4.171 2.882 649 H ILE 89 H ILE 89 -9.571 3.095 4.343 650 HA ILE 89 HA ILE 89 -7.746 4.056 2.338 651 HB ILE 89 HB ILE 89 -6.429 2.117 2.930 652 1HG1 ILE 89 1HG1 ILE 89 -8.533 1.271 4.919 653 2HG1 ILE 89 2HG1 ILE 89 -8.545 0.659 3.276 654 1HG2 ILE 89 1HG2 ILE 89 -7.143 4.238 4.647 655 2HG2 ILE 89 2HG2 ILE 89 -7.034 2.782 5.664 656 3HG2 ILE 89 3HG2 ILE 89 -5.649 3.268 4.657 657 1HD1 ILE 89 1HD1 ILE 89 -5.897 0.581 4.669 658 2HD1 ILE 89 2HD1 ILE 89 -7.149 -0.523 5.287 659 3HD1 ILE 89 3HD1 ILE 89 -6.646 -0.612 3.581 660 H THR 90 H THR 90 -10.764 2.774 2.125 661 HA THR 90 HA THR 90 -10.750 0.569 0.573 662 HB THR 90 HB THR 90 -12.758 1.855 1.341 663 HG1 THR 90 1HG THR 90 -13.761 0.981 -0.450 664 1HG2 THR 90 1HG2 THR 90 -13.306 3.953 0.551 665 2HG2 THR 90 2HG2 THR 90 -11.567 4.080 0.194 666 3HG2 THR 90 3HG2 THR 90 -12.703 3.590 -1.084 667 H ALA 91 H ALA 91 -9.725 3.849 -0.411 668 HA ALA 91 HA ALA 91 -9.501 3.125 -3.159 669 1HB ALA 91 1HB ALA 91 -8.832 5.477 -1.414 670 2HB ALA 91 2HB ALA 91 -8.050 5.355 -3.009 671 3HB ALA 91 3HB ALA 91 -9.826 5.399 -2.889 672 H ALA 92 H ALA 92 -7.274 3.409 -0.332 673 HA ALA 92 HA ALA 92 -4.916 2.940 -1.739 674 1HB ALA 92 1HB ALA 92 -5.194 3.810 0.619 675 2HB ALA 92 2HB ALA 92 -5.562 2.143 1.125 676 3HB ALA 92 3HB ALA 92 -3.965 2.534 0.442 677 H ILE 93 H ILE 93 -7.408 0.747 -0.374 678 HA ILE 93 HA ILE 93 -5.857 -1.594 -0.850 679 HB ILE 93 HB ILE 93 -8.822 -1.306 -0.360 680 1HG1 ILE 93 1HG1 ILE 93 -6.498 -1.424 1.571 681 2HG1 ILE 93 2HG1 ILE 93 -7.713 -0.170 1.423 682 1HG2 ILE 93 1HG2 ILE 93 -6.920 -3.645 -0.070 683 2HG2 ILE 93 2HG2 ILE 93 -8.586 -3.611 0.557 684 3HG2 ILE 93 3HG2 ILE 93 -8.291 -3.494 -1.194 685 1HD1 ILE 93 1HD1 ILE 93 -8.622 -1.343 3.201 686 2HD1 ILE 93 2HD1 ILE 93 -9.380 -2.244 1.866 687 3HD1 ILE 93 3HD1 ILE 93 -7.929 -2.894 2.668 688 H GLN 94 H GLN 94 -8.698 -0.028 -2.475 689 HA GLN 94 HA GLN 94 -8.907 -1.874 -4.494 690 1HB GLN 94 1HB GLN 94 -10.471 0.088 -3.829 691 2HB GLN 94 2HB GLN 94 -9.466 1.092 -4.855 692 1HG GLN 94 1HG GLN 94 -9.960 -1.144 -6.468 693 2HG GLN 94 2HG GLN 94 -11.474 -0.943 -5.609 694 1HE2 GLN 94 1HE2 GLN 94 -10.291 -0.356 -8.415 695 2HE2 GLN 94 2HE2 GLN 94 -10.892 1.221 -8.810 696 H CYS 95 H CYS 95 -6.949 1.159 -4.287 697 HA CYS 95 HA CYS 95 -5.972 0.965 -6.916 698 1HB CYS 95 1HB CYS 95 -6.027 2.955 -5.194 699 2HB CYS 95 2HB CYS 95 -4.449 2.346 -4.737 700 H ALA 96 H ALA 96 -4.769 -0.031 -3.648 701 HA ALA 96 HA ALA 96 -2.260 -0.882 -4.306 702 1HB ALA 96 1HB ALA 96 -2.823 -2.654 -2.428 703 2HB ALA 96 2HB ALA 96 -2.774 -0.918 -2.036 704 3HB ALA 96 3HB ALA 96 -4.337 -1.729 -2.294 705 H LYS 97 H LYS 97 -5.362 -2.762 -4.481 706 HA LYS 97 HA LYS 97 -4.087 -5.031 -5.599 707 1HB LYS 97 1HB LYS 97 -6.342 -5.883 -5.876 708 2HB LYS 97 2HB LYS 97 -6.156 -5.165 -4.289 709 1HG LYS 97 1HG LYS 97 -7.446 -3.253 -4.850 710 2HG LYS 97 2HG LYS 97 -7.202 -3.469 -6.572 711 1HD LYS 97 1HD LYS 97 -8.941 -4.960 -6.769 712 2HD LYS 97 2HD LYS 97 -8.561 -5.765 -5.259 713 1HE LYS 97 1HE LYS 97 -9.508 -3.715 -4.039 714 2HE LYS 97 2HE LYS 97 -10.057 -3.125 -5.595 715 1HZ LYS 97 1HZ LYS 97 -11.030 -5.352 -4.048 716 2HZ LYS 97 2HZ LYS 97 -11.846 -4.316 -5.012 717 3HZ LYS 97 3HZ LYS 97 -11.018 -5.562 -5.669 718 H ARG 98 H ARG 98 -5.792 -2.150 -6.907 719 HA ARG 98 HA ARG 98 -5.931 -3.066 -9.507 720 1HB ARG 98 1HB ARG 98 -7.146 -1.061 -8.558 721 2HB ARG 98 2HB ARG 98 -5.631 -0.179 -8.533 722 1HG ARG 98 1HG ARG 98 -5.576 0.087 -10.838 723 2HG ARG 98 2HG ARG 98 -6.357 -1.452 -11.148 724 1HD ARG 98 1HD ARG 98 -8.538 -0.577 -10.733 725 2HD ARG 98 2HD ARG 98 -7.922 0.807 -9.852 726 HE ARG 98 HE ARG 98 -6.918 0.847 -12.556 727 1HH1 ARG 98 2HH2 ARG 98 -9.848 1.426 -10.696 728 2HH1 ARG 98 1HH2 ARG 98 -10.504 2.551 -11.838 729 1HH2 ARG 98 2HH1 ARG 98 -7.782 2.332 -14.063 730 2HH2 ARG 98 1HH1 ARG 98 -9.321 3.070 -13.765 731 H VAL 99 H VAL 99 -3.257 -1.917 -7.562 732 HA VAL 99 HA VAL 99 -1.648 -1.225 -9.874 733 HB VAL 99 HB VAL 99 -1.295 -1.109 -6.887 734 1HG1 VAL 99 1HG1 VAL 99 0.963 0.048 -7.598 735 2HG1 VAL 99 2HG1 VAL 99 0.875 -1.718 -7.395 736 3HG1 VAL 99 3HG1 VAL 99 0.811 -1.005 -9.025 737 1HG2 VAL 99 1HG2 VAL 99 -1.832 0.801 -9.088 738 2HG2 VAL 99 2HG2 VAL 99 -2.299 0.861 -7.373 739 3HG2 VAL 99 3HG2 VAL 99 -0.658 1.344 -7.866 740 H VAL 100 H VAL 100 -1.482 -3.542 -7.073 741 HA VAL 100 HA VAL 100 0.650 -5.005 -8.091 742 HB VAL 100 HB VAL 100 -1.608 -5.726 -6.218 743 1HG1 VAL 100 1HG1 VAL 100 -0.538 -7.735 -7.299 744 2HG1 VAL 100 2HG1 VAL 100 1.004 -7.228 -6.566 745 3HG1 VAL 100 3HG1 VAL 100 -0.376 -7.662 -5.528 746 1HG2 VAL 100 1HG2 VAL 100 0.687 -5.571 -4.730 747 2HG2 VAL 100 2HG2 VAL 100 0.964 -4.305 -5.951 748 3HG2 VAL 100 3HG2 VAL 100 -0.493 -4.252 -4.929 749 H ARG 101 H ARG 101 -2.750 -4.891 -8.974 750 HA ARG 101 HA ARG 101 -3.013 -7.425 -10.004 751 1HB ARG 101 1HB ARG 101 -4.381 -4.796 -10.295 752 2HB ARG 101 2HB ARG 101 -4.581 -5.849 -11.684 753 1HG ARG 101 1HG ARG 101 -5.387 -7.681 -10.193 754 2HG ARG 101 2HG ARG 101 -5.158 -6.653 -8.792 755 1HD ARG 101 1HD ARG 101 -7.494 -6.491 -9.340 756 2HD ARG 101 2HD ARG 101 -6.781 -4.982 -9.875 757 HE ARG 101 HE ARG 101 -7.816 -7.145 -11.595 758 1HH1 ARG 101 2HH2 ARG 101 -5.915 -4.189 -11.417 759 2HH1 ARG 101 1HH2 ARG 101 -6.061 -3.842 -13.108 760 1HH2 ARG 101 2HH1 ARG 101 -8.008 -6.688 -13.826 761 2HH2 ARG 101 1HH1 ARG 101 -7.259 -5.273 -14.487 762 H ASP 102 H ASP 102 -0.959 -4.857 -10.986 763 HA ASP 102 HA ASP 102 -1.054 -5.049 -13.727 764 1HB ASP 102 1HB ASP 102 0.806 -4.041 -11.662 765 2HB ASP 102 2HB ASP 102 1.644 -4.585 -13.102 766 HA PRO 103 HA PRO 103 1.235 -8.703 -14.557 767 1HB PRO 103 1HB PRO 103 2.914 -8.062 -16.615 768 2HB PRO 103 2HB PRO 103 1.207 -8.387 -16.837 769 1HG PRO 103 1HG PRO 103 2.620 -5.791 -16.875 770 2HG PRO 103 2HG PRO 103 1.032 -6.185 -17.502 771 1HD PRO 103 1HD PRO 103 1.617 -4.779 -15.072 772 2HD PRO 103 2HD PRO 103 0.035 -5.275 -15.641 773 H GLN 104 H GLN 104 2.140 -7.633 -12.253 774 HA GLN 104 HA GLN 104 4.913 -8.432 -12.483 775 1HB GLN 104 1HB GLN 104 4.899 -6.348 -10.556 776 2HB GLN 104 2HB GLN 104 5.693 -6.348 -12.118 777 1HG GLN 104 1HG GLN 104 3.566 -5.531 -13.182 778 2HG GLN 104 2HG GLN 104 2.804 -5.495 -11.604 779 1HE2 GLN 104 1HE2 GLN 104 2.797 -3.644 -10.597 780 2HE2 GLN 104 2HE2 GLN 104 3.910 -2.332 -10.794 781 H GLY 105 H GLY 105 3.219 -6.866 -9.718 782 1HA GLY 105 1HA GLY 105 1.961 -8.394 -8.199 783 2HA GLY 105 2HA GLY 105 3.347 -9.461 -8.302 784 H ILE 106 H ILE 106 2.556 -8.591 -5.798 785 HA ILE 106 HA ILE 106 3.398 -6.270 -4.768 786 HB ILE 106 HB ILE 106 3.564 -9.074 -3.702 787 1HG1 ILE 106 1HG1 ILE 106 1.386 -7.655 -4.178 788 2HG1 ILE 106 2HG1 ILE 106 1.522 -8.681 -2.765 789 1HG2 ILE 106 1HG2 ILE 106 4.362 -6.512 -2.310 790 2HG2 ILE 106 2HG2 ILE 106 3.874 -7.985 -1.437 791 3HG2 ILE 106 3HG2 ILE 106 5.303 -8.012 -2.499 792 1HD1 ILE 106 1HD1 ILE 106 0.660 -6.464 -2.122 793 2HD1 ILE 106 2HD1 ILE 106 2.272 -6.716 -1.410 794 3HD1 ILE 106 3HD1 ILE 106 2.086 -5.681 -2.845 795 H ARG 107 H ARG 107 5.417 -8.824 -6.153 796 HA ARG 107 HA ARG 107 7.778 -8.588 -5.110 797 1HB ARG 107 1HB ARG 107 7.063 -9.691 -7.356 798 2HB ARG 107 2HB ARG 107 7.468 -8.165 -8.118 799 1HG ARG 107 1HG ARG 107 9.572 -9.188 -6.280 800 2HG ARG 107 2HG ARG 107 9.256 -10.235 -7.649 801 1HD ARG 107 1HD ARG 107 9.615 -8.345 -9.219 802 2HD ARG 107 2HD ARG 107 9.833 -7.241 -7.877 803 HE ARG 107 HE ARG 107 11.700 -9.288 -7.440 804 1HH1 ARG 107 2HH2 ARG 107 11.043 -6.954 -9.989 805 2HH1 ARG 107 1HH2 ARG 107 12.695 -6.860 -10.504 806 1HH2 ARG 107 2HH1 ARG 107 13.879 -9.165 -8.117 807 2HH2 ARG 107 1HH1 ARG 107 14.319 -8.126 -9.432 808 H ALA 108 H ALA 108 6.151 -6.019 -7.009 809 HA ALA 108 HA ALA 108 8.106 -4.300 -7.628 810 1HB ALA 108 1HB ALA 108 6.449 -2.534 -7.371 811 2HB ALA 108 2HB ALA 108 5.640 -4.005 -7.962 812 3HB ALA 108 3HB ALA 108 5.500 -3.540 -6.251 813 H TRP 109 H TRP 109 6.859 -5.033 -4.347 814 HA TRP 109 HA TRP 109 8.695 -3.062 -3.227 815 1HB TRP 109 1HB TRP 109 6.508 -4.730 -1.974 816 2HB TRP 109 2HB TRP 109 7.552 -3.635 -1.090 817 HD1 TRP 109 HD TRP 109 7.205 -0.933 -1.647 818 HE1 TRP 109 1HE TRP 109 5.138 0.482 -2.476 819 HE3 TRP 109 3HE TRP 109 4.548 -4.885 -3.429 820 HZ2 TRP 109 2HZ TRP 109 2.678 -0.195 -3.754 821 HZ3 TRP 109 3HZ TRP 109 2.323 -4.422 -4.452 822 HH2 TRP 109 HH TRP 109 1.381 -2.173 -4.630 823 H VAL 110 H VAL 110 10.423 -4.602 -4.282 824 HA VAL 110 HA VAL 110 10.945 -7.129 -3.578 825 HB VAL 110 HB VAL 110 12.845 -4.788 -3.763 826 1HG1 VAL 110 1HG1 VAL 110 13.386 -7.466 -2.907 827 2HG1 VAL 110 2HG1 VAL 110 14.108 -7.229 -4.517 828 3HG1 VAL 110 3HG1 VAL 110 14.528 -6.128 -3.182 829 1HG2 VAL 110 1HG2 VAL 110 11.228 -5.898 -5.701 830 2HG2 VAL 110 2HG2 VAL 110 12.726 -4.982 -5.998 831 3HG2 VAL 110 3HG2 VAL 110 12.767 -6.761 -5.938 832 H ALA 111 H ALA 111 11.016 -4.279 -1.469 833 HA ALA 111 HA ALA 111 12.589 -5.073 0.585 834 1HB ALA 111 1HB ALA 111 10.285 -3.979 1.786 835 2HB ALA 111 2HB ALA 111 11.733 -3.099 1.239 836 3HB ALA 111 3HB ALA 111 10.337 -3.282 0.149 837 H TRP 112 H TRP 112 9.134 -6.012 0.002 838 HA TRP 112 HA TRP 112 8.839 -7.573 2.274 839 1HB TRP 112 1HB TRP 112 6.809 -7.397 1.400 840 2HB TRP 112 2HB TRP 112 7.425 -7.088 -0.211 841 HD1 TRP 112 HD TRP 112 5.841 -9.832 1.846 842 HE1 TRP 112 1HE TRP 112 5.509 -12.057 0.467 843 HE3 TRP 112 3HE TRP 112 8.684 -8.416 -2.126 844 HZ2 TRP 112 2HZ TRP 112 6.451 -12.955 -2.073 845 HZ3 TRP 112 3HZ TRP 112 8.926 -10.026 -4.014 846 HH2 TRP 112 HH TRP 112 7.865 -12.228 -4.030 847 H ARG 113 H ARG 113 10.246 -8.238 -0.969 848 HA ARG 113 HA ARG 113 10.449 -10.968 -0.674 849 1HB ARG 113 1HB ARG 113 10.838 -9.464 -2.768 850 2HB ARG 113 2HB ARG 113 12.471 -9.242 -2.171 851 1HG ARG 113 1HG ARG 113 12.839 -11.703 -2.204 852 2HG ARG 113 2HG ARG 113 11.190 -11.959 -2.739 853 1HD ARG 113 1HD ARG 113 11.603 -10.900 -4.871 854 2HD ARG 113 2HD ARG 113 13.117 -10.208 -4.323 855 HE ARG 113 HE ARG 113 12.760 -12.850 -5.407 856 1HH1 ARG 113 2HH2 ARG 113 14.567 -11.130 -2.926 857 2HH1 ARG 113 1HH2 ARG 113 15.889 -12.249 -2.933 858 1HH2 ARG 113 2HH1 ARG 113 14.505 -14.326 -5.417 859 2HH2 ARG 113 1HH1 ARG 113 15.854 -14.079 -4.359 860 H ALA 114 H ALA 114 12.057 -8.407 0.980 861 HA ALA 114 HA ALA 114 14.103 -10.297 1.916 862 1HB ALA 114 1HB ALA 114 14.650 -8.105 0.386 863 2HB ALA 114 2HB ALA 114 14.719 -7.392 2.014 864 3HB ALA 114 3HB ALA 114 15.766 -8.771 1.602 865 H HIS 115 H HIS 115 11.362 -9.810 2.908 866 HA HIS 115 HA HIS 115 12.137 -9.065 5.593 867 1HB HIS 115 1HB HIS 115 10.764 -7.248 3.903 868 2HB HIS 115 2HB HIS 115 9.577 -7.857 5.040 869 HD1 HIS 115 1HD HIS 115 13.273 -7.102 5.718 870 HD2 HIS 115 2HD HIS 115 9.449 -5.820 6.872 871 HE1 HIS 115 1HE HIS 115 13.623 -5.406 7.593 872 HE2 HIS 115 2HE HIS 115 11.242 -4.614 8.223 873 H CYS 116 H CYS 116 9.560 -10.177 3.315 874 HA CYS 116 HA CYS 116 8.319 -11.660 5.459 875 1HB CYS 116 1HB CYS 116 7.494 -10.590 2.926 876 2HB CYS 116 2HB CYS 116 7.166 -12.312 2.951 877 H GLN 117 H GLN 117 9.847 -12.253 2.208 878 HA GLN 117 HA GLN 117 9.856 -15.040 2.582 879 1HB GLN 117 1HB GLN 117 10.599 -13.121 0.511 880 2HB GLN 117 2HB GLN 117 11.823 -14.368 0.648 881 1HG GLN 117 1HG GLN 117 10.205 -16.135 0.285 882 2HG GLN 117 2HG GLN 117 8.854 -15.038 0.495 883 1HE2 GLN 117 1HE2 GLN 117 7.944 -15.416 -1.468 884 2HE2 GLN 117 2HE2 GLN 117 8.622 -14.907 -2.978 885 H ASN 118 H ASN 118 10.853 -14.437 4.933 886 HA ASN 118 HA ASN 118 13.627 -15.179 4.666 887 1HB ASN 118 1HB ASN 118 13.209 -12.563 5.076 888 2HB ASN 118 2HB ASN 118 12.907 -13.069 6.726 889 1HD2 ASN 118 1HD2 ASN 118 15.152 -11.754 4.924 890 2HD2 ASN 118 2HD2 ASN 118 16.617 -12.404 5.579 891 H ARG 119 H ARG 119 11.130 -14.114 7.112 892 HA ARG 119 HA ARG 119 11.525 -16.688 8.404 893 1HB ARG 119 1HB ARG 119 12.490 -14.436 9.535 894 2HB ARG 119 2HB ARG 119 10.829 -14.262 10.069 895 1HG ARG 119 1HG ARG 119 11.303 -15.688 11.767 896 2HG ARG 119 2HG ARG 119 11.427 -16.972 10.581 897 1HD ARG 119 1HD ARG 119 13.701 -17.073 10.771 898 2HD ARG 119 2HD ARG 119 13.873 -15.333 10.651 899 HE ARG 119 HE ARG 119 12.830 -15.685 13.194 900 1HH1 ARG 119 2HH2 ARG 119 15.610 -17.013 11.492 901 2HH1 ARG 119 1HH2 ARG 119 16.552 -17.223 12.931 902 1HH2 ARG 119 2HH1 ARG 119 14.072 -15.962 15.091 903 2HH2 ARG 119 1HH1 ARG 119 15.670 -16.621 14.993 904 H ASP 120 H ASP 120 9.558 -16.438 10.422 905 HA ASP 120 HA ASP 120 7.206 -16.464 8.763 906 1HB ASP 120 1HB ASP 120 7.819 -18.307 10.439 907 2HB ASP 120 2HB ASP 120 7.485 -17.160 11.722 908 H LEU 121 H LEU 121 6.398 -14.340 8.531 909 HA LEU 121 HA LEU 121 6.380 -12.641 10.902 910 1HB LEU 121 1HB LEU 121 7.287 -11.958 8.597 911 2HB LEU 121 2HB LEU 121 5.609 -11.852 8.104 912 HG LEU 121 HG LEU 121 6.149 -10.403 10.596 913 1HD1 LEU 121 1HD1 LEU 121 7.561 -8.706 9.820 914 2HD1 LEU 121 2HD1 LEU 121 8.344 -10.211 9.283 915 3HD1 LEU 121 3HD1 LEU 121 7.416 -9.228 8.125 916 1HD2 LEU 121 1HD2 LEU 121 4.328 -9.363 9.882 917 2HD2 LEU 121 2HD2 LEU 121 5.218 -8.743 8.470 918 3HD2 LEU 121 3HD2 LEU 121 4.375 -10.308 8.375 919 H SER 122 H SER 122 4.584 -15.105 10.157 920 HA SER 122 HA SER 122 2.042 -13.976 9.745 921 1HB SER 122 1HB SER 122 3.195 -16.667 10.256 922 2HB SER 122 2HB SER 122 1.561 -16.464 10.857 923 HG SER 122 HG SER 122 1.668 -17.228 8.618 924 H GLN 123 H GLN 123 4.124 -14.516 12.527 925 HA GLN 123 HA GLN 123 2.086 -14.621 14.452 926 1HB GLN 123 1HB GLN 123 4.410 -15.449 14.820 927 2HB GLN 123 2HB GLN 123 5.012 -13.806 14.738 928 1HG GLN 123 1HG GLN 123 3.613 -13.184 16.710 929 2HG GLN 123 2HG GLN 123 2.979 -14.815 16.783 930 1HE2 GLN 123 1HE2 GLN 123 4.758 -13.012 18.508 931 2HE2 GLN 123 2HE2 GLN 123 6.084 -14.020 18.981 932 H TYR 124 H TYR 124 3.232 -12.103 12.436 933 HA TYR 124 HA TYR 124 2.912 -9.955 14.298 934 1HB TYR 124 1HB TYR 124 4.074 -10.464 11.788 935 2HB TYR 124 2HB TYR 124 2.641 -9.566 11.327 936 HD1 TYR 124 1HD TYR 124 5.423 -9.338 13.844 937 HD2 TYR 124 2HD TYR 124 2.837 -7.264 11.140 938 HE1 TYR 124 1HE TYR 124 6.614 -7.154 14.369 939 HE2 TYR 124 2HE TYR 124 4.037 -5.087 11.673 940 HH TYR 124 HH TYR 124 6.605 -4.997 14.116 941 H ILE 125 H ILE 125 0.863 -11.735 11.991 942 HA ILE 125 HA ILE 125 -1.226 -9.736 12.227 943 HB ILE 125 HB ILE 125 -2.422 -11.302 10.668 944 1HG1 ILE 125 1HG1 ILE 125 0.265 -12.662 10.383 945 2HG1 ILE 125 2HG1 ILE 125 -1.024 -13.311 11.376 946 1HG2 ILE 125 1HG2 ILE 125 -0.244 -10.810 8.960 947 2HG2 ILE 125 2HG2 ILE 125 -1.673 -9.785 9.232 948 3HG2 ILE 125 3HG2 ILE 125 -0.197 -9.529 10.194 949 1HD1 ILE 125 1HD1 ILE 125 -2.191 -12.593 8.851 950 2HD1 ILE 125 2HD1 ILE 125 -0.700 -13.506 8.519 951 3HD1 ILE 125 3HD1 ILE 125 -1.974 -14.221 9.537 952 H ARG 126 H ARG 126 -0.436 -13.098 13.231 953 HA ARG 126 HA ARG 126 -2.953 -13.502 14.403 954 1HB ARG 126 1HB ARG 126 -1.431 -15.355 13.664 955 2HB ARG 126 2HB ARG 126 -0.287 -14.916 14.916 956 1HG ARG 126 1HG ARG 126 -2.831 -15.201 16.206 957 2HG ARG 126 2HG ARG 126 -2.664 -16.573 15.128 958 1HD ARG 126 1HD ARG 126 -1.353 -17.532 16.723 959 2HD ARG 126 2HD ARG 126 -0.117 -16.366 16.297 960 HE ARG 126 HE ARG 126 -0.879 -14.928 18.118 961 1HH1 ARG 126 2HH2 ARG 126 -2.390 -18.104 18.021 962 2HH1 ARG 126 1HH2 ARG 126 -2.910 -18.048 19.672 963 1HH2 ARG 126 2HH1 ARG 126 -1.564 -14.854 20.297 964 2HH2 ARG 126 1HH1 ARG 126 -2.436 -16.188 20.976 965 H ASN 127 H ASN 127 -3.564 -12.077 16.043 966 HA ASN 127 HA ASN 127 -2.759 -12.337 18.548 967 1HB ASN 127 1HB ASN 127 -0.689 -10.904 17.088 968 2HB ASN 127 2HB ASN 127 -1.406 -9.808 18.253 969 1HD2 ASN 127 1HD2 ASN 127 1.088 -11.735 17.858 970 2HD2 ASN 127 2HD2 ASN 127 1.358 -12.356 19.452 971 H CYS 128 H CYS 128 -3.723 -10.250 15.863 972 HA CYS 128 HA CYS 128 -4.847 -8.179 17.421 973 1HB CYS 128 1HB CYS 128 -4.227 -8.509 14.775 974 2HB CYS 128 2HB CYS 128 -5.974 -8.636 14.739 975 H GLY 129 H GLY 129 -5.797 -11.416 16.388 976 1HA GLY 129 1HA GLY 129 -7.538 -12.487 17.646 977 2HA GLY 129 2HA GLY 129 -8.448 -10.990 17.624 978 H VAL 130 H VAL 130 -6.629 -12.187 14.785 979 HA VAL 130 HA VAL 130 -9.146 -12.311 13.338 980 HB VAL 130 HB VAL 130 -6.236 -12.177 12.599 981 1HG1 VAL 130 1HG1 VAL 130 -7.041 -13.822 11.073 982 2HG1 VAL 130 2HG1 VAL 130 -8.553 -12.925 10.796 983 3HG1 VAL 130 3HG1 VAL 130 -7.010 -12.278 10.190 984 1HG2 VAL 130 1HG2 VAL 130 -7.382 -10.287 11.127 985 2HG2 VAL 130 2HG2 VAL 130 -8.644 -10.411 12.377 986 3HG2 VAL 130 3HG2 VAL 130 -6.971 -10.013 12.837 Start of MODEL 18 1 H LYS 1 H LYS 1 -3.226 8.051 7.475 2 HA LYS 1 HA LYS 1 -4.621 8.993 9.834 3 1HB LYS 1 1HB LYS 1 -6.179 7.879 7.933 4 2HB LYS 1 2HB LYS 1 -5.653 6.420 8.748 5 1HG LYS 1 1HG LYS 1 -7.748 7.326 9.748 6 2HG LYS 1 2HG LYS 1 -6.443 7.282 10.917 7 1HD LYS 1 1HD LYS 1 -6.432 9.823 9.456 8 2HD LYS 1 2HD LYS 1 -8.002 9.536 10.180 9 1HE LYS 1 1HE LYS 1 -6.628 8.901 12.344 10 2HE LYS 1 2HE LYS 1 -5.303 9.736 11.557 11 1HZ LYS 1 1HZ LYS 1 -7.022 10.988 13.033 12 2HZ LYS 1 2HZ LYS 1 -6.359 11.708 11.726 13 3HZ LYS 1 3HZ LYS 1 -7.865 11.083 11.638 14 H VAL 2 H VAL 2 -4.619 7.090 11.529 15 HA VAL 2 HA VAL 2 -1.948 5.899 11.344 16 HB VAL 2 HB VAL 2 -3.714 6.691 13.658 17 1HG1 VAL 2 1HG1 VAL 2 -2.049 5.794 15.178 18 2HG1 VAL 2 2HG1 VAL 2 -2.635 4.496 14.111 19 3HG1 VAL 2 3HG1 VAL 2 -1.048 5.245 13.813 20 1HG2 VAL 2 1HG2 VAL 2 -0.895 7.554 12.933 21 2HG2 VAL 2 2HG2 VAL 2 -2.369 8.462 12.517 22 3HG2 VAL 2 3HG2 VAL 2 -1.928 8.213 14.224 23 H TYR 3 H TYR 3 -1.669 3.691 11.418 24 HA TYR 3 HA TYR 3 -3.896 2.028 12.222 25 1HB TYR 3 1HB TYR 3 -4.385 1.332 10.040 26 2HB TYR 3 2HB TYR 3 -3.604 2.825 9.558 27 HD1 TYR 3 1HD TYR 3 -2.492 -0.611 10.616 28 HD2 TYR 3 2HD TYR 3 -2.082 2.611 7.831 29 HE1 TYR 3 1HE TYR 3 -0.742 -1.935 9.331 30 HE2 TYR 3 2HE TYR 3 -0.333 1.277 6.556 31 HH TYR 3 HH TYR 3 1.378 -0.812 7.501 32 H GLU 4 H GLU 4 -3.224 0.028 13.002 33 HA GLU 4 HA GLU 4 -0.340 -0.376 12.855 34 1HB GLU 4 1HB GLU 4 -0.470 -1.460 15.028 35 2HB GLU 4 2HB GLU 4 -1.264 0.098 15.137 36 1HG GLU 4 1HG GLU 4 -3.487 -1.022 14.803 37 2HG GLU 4 2HG GLU 4 -2.682 -2.577 14.728 38 H ARG 5 H ARG 5 0.367 -2.738 12.944 39 HA ARG 5 HA ARG 5 -0.380 -4.130 10.880 40 1HB ARG 5 1HB ARG 5 0.000 -6.236 12.623 41 2HB ARG 5 2HB ARG 5 1.303 -5.294 11.924 42 1HG ARG 5 1HG ARG 5 1.682 -4.086 13.884 43 2HG ARG 5 2HG ARG 5 0.013 -4.189 14.405 44 1HD ARG 5 1HD ARG 5 0.465 -6.751 14.710 45 2HD ARG 5 2HD ARG 5 2.163 -6.336 14.588 46 HE ARG 5 HE ARG 5 1.080 -4.546 16.475 47 1HH1 ARG 5 2HH2 ARG 5 1.453 -8.031 16.158 48 2HH1 ARG 5 1HH2 ARG 5 1.537 -8.306 17.866 49 1HH2 ARG 5 2HH1 ARG 5 1.191 -4.909 18.729 50 2HH2 ARG 5 1HH1 ARG 5 1.387 -6.518 19.338 51 H CYS 6 H CYS 6 -1.835 -4.716 14.174 52 HA CYS 6 HA CYS 6 -3.690 -6.566 13.458 53 1HB CYS 6 1HB CYS 6 -3.980 -4.365 15.514 54 2HB CYS 6 2HB CYS 6 -5.001 -5.785 15.407 55 H GLU 7 H GLU 7 -4.664 -3.140 14.160 56 HA GLU 7 HA GLU 7 -7.009 -3.010 13.079 57 1HB GLU 7 1HB GLU 7 -4.778 -1.102 13.289 58 2HB GLU 7 2HB GLU 7 -5.880 -0.683 11.993 59 1HG GLU 7 1HG GLU 7 -7.112 -1.497 14.613 60 2HG GLU 7 2HG GLU 7 -6.304 0.057 14.567 61 H PHE 8 H PHE 8 -4.138 -2.234 10.972 62 HA PHE 8 HA PHE 8 -5.373 -2.141 8.586 63 1HB PHE 8 1HB PHE 8 -2.772 -2.298 9.630 64 2HB PHE 8 2HB PHE 8 -2.852 -3.769 8.681 65 HD1 PHE 8 1HD PHE 8 -1.859 -3.549 6.625 66 HD2 PHE 8 2HD PHE 8 -4.017 -0.246 8.187 67 HE1 PHE 8 1HE PHE 8 -1.353 -2.235 4.547 68 HE2 PHE 8 2HE PHE 8 -3.512 1.068 6.108 69 HZ PHE 8 HZ PHE 8 -2.186 0.057 4.313 70 H ALA 9 H ALA 9 -4.023 -5.154 10.114 71 HA ALA 9 HA ALA 9 -4.699 -6.915 8.126 72 1HB ALA 9 1HB ALA 9 -3.538 -8.083 9.669 73 2HB ALA 9 2HB ALA 9 -4.017 -6.978 10.980 74 3HB ALA 9 3HB ALA 9 -5.093 -8.314 10.505 75 H ARG 10 H ARG 10 -6.685 -5.875 10.984 76 HA ARG 10 HA ARG 10 -8.847 -7.432 10.456 77 1HB ARG 10 1HB ARG 10 -8.500 -6.025 12.512 78 2HB ARG 10 2HB ARG 10 -8.839 -4.583 11.576 79 1HG ARG 10 1HG ARG 10 -11.125 -5.104 11.330 80 2HG ARG 10 2HG ARG 10 -10.868 -6.823 11.549 81 1HD ARG 10 1HD ARG 10 -11.612 -6.468 13.684 82 2HD ARG 10 2HD ARG 10 -10.000 -5.855 13.990 83 HE ARG 10 HE ARG 10 -11.873 -3.861 12.897 84 1HH1 ARG 10 2HH2 ARG 10 -10.501 -5.303 15.799 85 2HH1 ARG 10 1HH2 ARG 10 -10.889 -3.949 16.809 86 1HH2 ARG 10 2HH1 ARG 10 -12.384 -2.075 14.227 87 2HH2 ARG 10 1HH1 ARG 10 -11.967 -2.101 15.908 88 H THR 11 H THR 11 -8.368 -3.937 9.524 89 HA THR 11 HA THR 11 -10.661 -3.650 8.018 90 HB THR 11 HB THR 11 -7.877 -2.394 7.818 91 HG1 THR 11 1HG THR 11 -10.506 -1.726 8.945 92 1HG2 THR 11 1HG2 THR 11 -9.510 -0.443 6.948 93 2HG2 THR 11 2HG2 THR 11 -8.796 -1.603 5.803 94 3HG2 THR 11 3HG2 THR 11 -10.470 -1.824 6.367 95 H LEU 12 H LEU 12 -7.362 -4.592 6.836 96 HA LEU 12 HA LEU 12 -7.967 -4.890 4.206 97 1HB LEU 12 1HB LEU 12 -5.868 -5.542 5.942 98 2HB LEU 12 2HB LEU 12 -6.270 -7.043 5.131 99 HG LEU 12 HG LEU 12 -6.122 -5.696 2.938 100 1HD1 LEU 12 1HD1 LEU 12 -4.760 -3.705 2.948 101 2HD1 LEU 12 2HD1 LEU 12 -6.161 -3.467 4.020 102 3HD1 LEU 12 3HD1 LEU 12 -4.558 -3.805 4.714 103 1HD2 LEU 12 1HD2 LEU 12 -4.362 -7.059 2.877 104 2HD2 LEU 12 2HD2 LEU 12 -3.405 -5.685 3.480 105 3HD2 LEU 12 3HD2 LEU 12 -4.060 -6.884 4.622 106 H LYS 13 H LYS 13 -8.295 -7.418 6.792 107 HA LYS 13 HA LYS 13 -9.456 -9.302 5.064 108 1HB LYS 13 1HB LYS 13 -8.329 -9.532 7.423 109 2HB LYS 13 2HB LYS 13 -9.950 -9.262 8.030 110 1HG LYS 13 1HG LYS 13 -9.462 -11.317 5.848 111 2HG LYS 13 2HG LYS 13 -9.158 -11.726 7.524 112 1HD LYS 13 1HD LYS 13 -11.601 -10.699 7.893 113 2HD LYS 13 2HD LYS 13 -11.781 -11.047 6.185 114 1HE LYS 13 1HE LYS 13 -11.153 -13.427 6.587 115 2HE LYS 13 2HE LYS 13 -10.922 -13.089 8.290 116 1HZ LYS 13 1HZ LYS 13 -13.062 -13.457 8.545 117 2HZ LYS 13 2HZ LYS 13 -13.420 -12.150 7.631 118 3HZ LYS 13 3HZ LYS 13 -13.303 -13.624 6.938 119 H ARG 14 H ARG 14 -10.693 -6.483 6.789 120 HA ARG 14 HA ARG 14 -13.384 -7.348 6.639 121 1HB ARG 14 1HB ARG 14 -12.439 -5.705 8.351 122 2HB ARG 14 2HB ARG 14 -12.304 -4.517 7.069 123 1HG ARG 14 1HG ARG 14 -14.826 -4.899 6.635 124 2HG ARG 14 2HG ARG 14 -14.855 -5.801 8.137 125 1HD ARG 14 1HD ARG 14 -13.588 -3.566 9.031 126 2HD ARG 14 2HD ARG 14 -14.476 -2.850 7.699 127 HE ARG 14 HE ARG 14 -16.386 -3.013 9.015 128 1HH1 ARG 14 2HH2 ARG 14 -14.180 -5.588 9.955 129 2HH1 ARG 14 1HH2 ARG 14 -15.220 -6.199 11.198 130 1HH2 ARG 14 2HH1 ARG 14 -17.758 -3.818 10.656 131 2HH2 ARG 14 1HH1 ARG 14 -17.269 -5.185 11.599 132 H ASN 15 H ASN 15 -11.079 -5.778 4.520 133 HA ASN 15 HA ASN 15 -13.123 -4.560 2.923 134 1HB ASN 15 1HB ASN 15 -10.463 -3.964 3.371 135 2HB ASN 15 2HB ASN 15 -10.336 -4.829 1.854 136 1HD2 ASN 15 1HD2 ASN 15 -9.724 -2.983 0.755 137 2HD2 ASN 15 2HD2 ASN 15 -10.827 -1.719 0.328 138 H GLY 16 H GLY 16 -10.794 -7.317 2.888 139 1HA GLY 16 1HA GLY 16 -11.567 -9.370 1.863 140 2HA GLY 16 2HA GLY 16 -12.228 -8.420 0.547 141 H MET 17 H MET 17 -9.052 -7.927 2.190 142 HA MET 17 HA MET 17 -7.813 -8.637 -0.357 143 1HB MET 17 1HB MET 17 -7.784 -6.163 1.100 144 2HB MET 17 2HB MET 17 -6.191 -6.860 1.321 145 1HG MET 17 1HG MET 17 -7.378 -6.843 -1.462 146 2HG MET 17 2HG MET 17 -6.747 -5.341 -0.815 147 1HE MET 17 1HE MET 17 -4.485 -8.298 -3.005 148 2HE MET 17 2HE MET 17 -6.237 -8.020 -2.860 149 3HE MET 17 3HE MET 17 -5.178 -6.727 -3.471 150 H ALA 18 H ALA 18 -7.681 -8.709 3.216 151 HA ALA 18 HA ALA 18 -5.178 -9.765 3.600 152 1HB ALA 18 1HB ALA 18 -6.074 -10.576 5.717 153 2HB ALA 18 2HB ALA 18 -6.788 -8.987 5.349 154 3HB ALA 18 3HB ALA 18 -7.737 -10.472 5.091 155 H GLY 19 H GLY 19 -4.353 -11.350 2.279 156 1HA GLY 19 1HA GLY 19 -4.009 -13.592 1.868 157 2HA GLY 19 2HA GLY 19 -5.617 -13.970 2.451 158 H TYR 20 H TYR 20 -4.846 -11.385 0.074 159 HA TYR 20 HA TYR 20 -6.843 -11.950 -1.675 160 1HB TYR 20 1HB TYR 20 -5.100 -10.023 -1.546 161 2HB TYR 20 2HB TYR 20 -3.953 -11.099 -2.319 162 HD1 TYR 20 1HD TYR 20 -7.539 -10.147 -2.952 163 HD2 TYR 20 2HD TYR 20 -3.590 -10.580 -4.542 164 HE1 TYR 20 1HE TYR 20 -8.369 -9.401 -5.236 165 HE2 TYR 20 2HE TYR 20 -4.434 -9.832 -6.821 166 HH TYR 20 HH TYR 20 -6.535 -9.806 -8.040 167 H TYR 21 H TYR 21 -6.307 -12.559 -4.156 168 HA TYR 21 HA TYR 21 -6.279 -15.176 -4.471 169 1HB TYR 21 1HB TYR 21 -5.426 -12.759 -5.970 170 2HB TYR 21 2HB TYR 21 -4.545 -14.170 -6.522 171 HD1 TYR 21 1HD TYR 21 -8.002 -12.880 -5.950 172 HD2 TYR 21 2HD TYR 21 -5.536 -15.695 -8.023 173 HE1 TYR 21 1HE TYR 21 -9.978 -13.554 -7.400 174 HE2 TYR 21 2HE TYR 21 -7.520 -16.360 -9.466 175 HH TYR 21 HH TYR 21 -9.630 -16.109 -9.846 176 H GLY 22 H GLY 22 -3.192 -13.255 -4.664 177 1HA GLY 22 1HA GLY 22 -1.748 -15.749 -4.012 178 2HA GLY 22 2HA GLY 22 -1.111 -14.422 -4.960 179 H VAL 23 H VAL 23 -1.309 -12.147 -3.703 180 HA VAL 23 HA VAL 23 0.492 -12.154 -1.682 181 HB VAL 23 HB VAL 23 -1.812 -10.215 -1.898 182 1HG1 VAL 23 1HG1 VAL 23 0.128 -8.607 -1.319 183 2HG1 VAL 23 2HG1 VAL 23 -0.532 -9.633 -0.024 184 3HG1 VAL 23 3HG1 VAL 23 1.003 -10.072 -0.814 185 1HG2 VAL 23 1HG2 VAL 23 0.518 -10.683 -3.728 186 2HG2 VAL 23 2HG2 VAL 23 -1.161 -10.235 -4.109 187 3HG2 VAL 23 3HG2 VAL 23 -0.042 -9.017 -3.450 188 H SER 24 H SER 24 0.547 -12.811 0.408 189 HA SER 24 HA SER 24 -1.940 -13.750 1.511 190 1HB SER 24 1HB SER 24 -0.130 -15.293 1.746 191 2HB SER 24 2HB SER 24 0.980 -14.048 2.283 192 HG SER 24 HG SER 24 -1.199 -15.253 3.734 193 H LEU 25 H LEU 25 -2.835 -12.990 3.518 194 HA LEU 25 HA LEU 25 -2.806 -10.318 3.971 195 1HB LEU 25 1HB LEU 25 -4.537 -11.538 4.899 196 2HB LEU 25 2HB LEU 25 -3.465 -12.691 5.671 197 HG LEU 25 HG LEU 25 -2.736 -10.842 7.232 198 1HD1 LEU 25 1HD1 LEU 25 -3.267 -8.760 6.646 199 2HD1 LEU 25 2HD1 LEU 25 -4.503 -9.310 5.488 200 3HD1 LEU 25 3HD1 LEU 25 -4.913 -9.131 7.211 201 1HD2 LEU 25 1HD2 LEU 25 -5.672 -11.155 7.616 202 2HD2 LEU 25 2HD2 LEU 25 -4.695 -12.638 7.490 203 3HD2 LEU 25 3HD2 LEU 25 -4.324 -11.432 8.745 204 H ALA 26 H ALA 26 -0.678 -12.829 5.453 205 HA ALA 26 HA ALA 26 0.604 -11.148 7.255 206 1HB ALA 26 1HB ALA 26 2.502 -12.947 6.814 207 2HB ALA 26 2HB ALA 26 0.979 -13.410 7.612 208 3HB ALA 26 3HB ALA 26 1.218 -13.754 5.881 209 H ASP 27 H ASP 27 1.258 -11.902 3.787 210 HA ASP 27 HA ASP 27 3.654 -10.522 3.667 211 1HB ASP 27 1HB ASP 27 1.540 -11.082 1.537 212 2HB ASP 27 2HB ASP 27 3.119 -10.417 1.166 213 H TRP 28 H TRP 28 0.202 -9.585 3.271 214 HA TRP 28 HA TRP 28 0.637 -7.036 2.191 215 1HB TRP 28 1HB TRP 28 -1.633 -8.378 3.621 216 2HB TRP 28 2HB TRP 28 -1.705 -6.661 3.277 217 HD1 TRP 28 HD TRP 28 -2.907 -9.692 1.769 218 HE1 TRP 28 1HE TRP 28 -3.310 -9.571 -0.835 219 HE3 TRP 28 3HE TRP 28 -0.171 -5.474 1.012 220 HZ2 TRP 28 2HZ TRP 28 -2.458 -7.766 -2.874 221 HZ3 TRP 28 3HZ TRP 28 -0.007 -4.598 -1.316 222 HH2 TRP 28 HH TRP 28 -1.096 -5.672 -3.223 223 H VAL 29 H VAL 29 -0.196 -8.075 5.584 224 HA VAL 29 HA VAL 29 0.144 -5.624 6.772 225 HB VAL 29 HB VAL 29 0.448 -8.462 7.714 226 1HG1 VAL 29 1HG1 VAL 29 1.973 -7.183 9.110 227 2HG1 VAL 29 2HG1 VAL 29 0.718 -5.957 9.410 228 3HG1 VAL 29 3HG1 VAL 29 0.519 -7.608 10.043 229 1HG2 VAL 29 1HG2 VAL 29 -1.567 -6.862 9.030 230 2HG2 VAL 29 2HG2 VAL 29 -1.742 -6.741 7.263 231 3HG2 VAL 29 3HG2 VAL 29 -1.754 -8.336 8.052 232 H CYS 30 H CYS 30 2.587 -8.317 6.609 233 HA CYS 30 HA CYS 30 4.672 -6.988 7.716 234 1HB CYS 30 1HB CYS 30 5.984 -8.687 6.993 235 2HB CYS 30 2HB CYS 30 4.408 -9.422 6.770 236 H LEU 31 H LEU 31 3.521 -6.974 4.283 237 HA LEU 31 HA LEU 31 5.562 -5.405 3.242 238 1HB LEU 31 1HB LEU 31 4.209 -6.570 1.747 239 2HB LEU 31 2HB LEU 31 2.723 -5.972 2.457 240 HG LEU 31 HG LEU 31 3.392 -3.662 1.602 241 1HD1 LEU 31 1HD1 LEU 31 5.757 -4.081 1.220 242 2HD1 LEU 31 2HD1 LEU 31 5.362 -5.308 -0.009 243 3HD1 LEU 31 3HD1 LEU 31 4.954 -3.598 -0.294 244 1HD2 LEU 31 1HD2 LEU 31 2.751 -4.316 -0.812 245 2HD2 LEU 31 2HD2 LEU 31 2.615 -5.970 -0.167 246 3HD2 LEU 31 3HD2 LEU 31 1.604 -4.668 0.503 247 H ALA 32 H ALA 32 2.198 -4.316 4.100 248 HA ALA 32 HA ALA 32 2.689 -1.627 3.906 249 1HB ALA 32 1HB ALA 32 0.494 -2.931 4.250 250 2HB ALA 32 2HB ALA 32 0.868 -2.870 5.988 251 3HB ALA 32 3HB ALA 32 0.640 -1.360 5.074 252 H GLN 33 H GLN 33 3.673 -3.942 6.391 253 HA GLN 33 HA GLN 33 4.118 -2.043 8.399 254 1HB GLN 33 1HB GLN 33 3.914 -4.637 8.557 255 2HB GLN 33 2HB GLN 33 5.612 -4.674 8.128 256 1HG GLN 33 1HG GLN 33 5.383 -2.696 10.168 257 2HG GLN 33 2HG GLN 33 4.384 -4.034 10.697 258 1HE2 GLN 33 1HE2 GLN 33 7.208 -2.828 11.242 259 2HE2 GLN 33 2HE2 GLN 33 8.233 -4.216 11.390 260 H HIS 34 H HIS 34 6.325 -3.705 6.039 261 HA HIS 34 HA HIS 34 8.554 -2.157 6.863 262 1HB HIS 34 1HB HIS 34 8.403 -4.522 5.735 263 2HB HIS 34 2HB HIS 34 8.391 -3.610 4.238 264 HD1 HIS 34 1HD HIS 34 10.429 -1.752 6.575 265 HD2 HIS 34 2HD HIS 34 11.013 -5.112 4.134 266 HE1 HIS 34 1HE HIS 34 12.953 -2.030 6.334 267 HE2 HIS 34 2HE HIS 34 13.251 -4.142 4.869 268 H GLU 35 H GLU 35 5.822 -1.646 4.773 269 HA GLU 35 HA GLU 35 7.114 0.153 3.025 270 1HB GLU 35 1HB GLU 35 4.171 -0.324 3.661 271 2HB GLU 35 2HB GLU 35 4.724 0.760 2.399 272 1HG GLU 35 1HG GLU 35 5.883 -2.008 2.373 273 2HG GLU 35 2HG GLU 35 4.184 -1.876 1.966 274 H SER 36 H SER 36 4.633 0.655 5.648 275 HA SER 36 HA SER 36 6.079 2.973 6.492 276 1HB SER 36 1HB SER 36 4.085 3.363 4.589 277 2HB SER 36 2HB SER 36 3.222 3.637 6.089 278 HG SER 36 HG SER 36 4.693 5.282 6.661 279 H ASN 37 H ASN 37 2.637 1.805 6.733 280 HA ASN 37 HA ASN 37 1.512 0.944 8.386 281 1HB ASN 37 1HB ASN 37 3.849 -0.245 8.891 282 2HB ASN 37 2HB ASN 37 3.915 0.864 10.246 283 1HD2 ASN 37 1HD2 ASN 37 3.936 -1.513 11.091 284 2HD2 ASN 37 2HD2 ASN 37 2.414 -2.121 11.651 285 H TYR 38 H TYR 38 0.932 1.496 10.870 286 HA TYR 38 HA TYR 38 0.360 3.029 12.363 287 1HB TYR 38 1HB TYR 38 2.995 4.299 11.389 288 2HB TYR 38 2HB TYR 38 2.188 4.743 12.880 289 HD1 TYR 38 1HD TYR 38 4.831 2.909 11.610 290 HD2 TYR 38 2HD TYR 38 1.623 2.536 14.417 291 HE1 TYR 38 1HE TYR 38 6.119 1.103 12.852 292 HE2 TYR 38 2HE TYR 38 2.922 0.732 15.650 293 HH TYR 38 HH TYR 38 5.266 0.081 15.938 294 H ASN 39 H ASN 39 1.939 5.855 11.355 295 HA ASN 39 HA ASN 39 -0.559 6.886 10.415 296 1HB ASN 39 1HB ASN 39 1.049 9.030 10.222 297 2HB ASN 39 2HB ASN 39 0.467 8.486 11.783 298 1HD2 ASN 39 1HD2 ASN 39 1.990 8.644 13.230 299 2HD2 ASN 39 2HD2 ASN 39 3.654 8.192 13.063 300 H THR 40 H THR 40 -1.000 7.374 8.229 301 HA THR 40 HA THR 40 0.954 6.497 6.284 302 HB THR 40 HB THR 40 -0.929 6.575 4.778 303 HG1 THR 40 1HG THR 40 -2.493 8.147 5.136 304 1HG2 THR 40 1HG2 THR 40 -1.238 5.285 7.277 305 2HG2 THR 40 2HG2 THR 40 -2.743 6.212 7.067 306 3HG2 THR 40 3HG2 THR 40 -2.248 5.028 5.833 307 H ARG 41 H ARG 41 2.380 8.360 7.321 308 HA ARG 41 HA ARG 41 1.702 10.874 6.100 309 1HB ARG 41 1HB ARG 41 2.670 10.588 8.489 310 2HB ARG 41 2HB ARG 41 4.201 10.209 7.725 311 1HG ARG 41 1HG ARG 41 4.628 12.400 7.293 312 2HG ARG 41 2HG ARG 41 3.062 12.626 6.540 313 1HD ARG 41 1HD ARG 41 2.104 12.670 8.976 314 2HD ARG 41 2HD ARG 41 3.766 12.868 9.493 315 HE ARG 41 HE ARG 41 2.126 14.848 8.059 316 1HH1 ARG 41 2HH2 ARG 41 5.377 13.888 9.006 317 2HH1 ARG 41 1HH2 ARG 41 6.037 15.478 8.824 318 1HH2 ARG 41 2HH1 ARG 41 2.998 16.948 7.819 319 2HH2 ARG 41 1HH1 ARG 41 4.675 17.230 8.145 320 H ALA 42 H ALA 42 3.203 8.011 5.176 321 HA ALA 42 HA ALA 42 5.596 8.692 4.039 322 1HB ALA 42 1HB ALA 42 3.403 6.767 3.195 323 2HB ALA 42 2HB ALA 42 4.986 6.838 2.386 324 3HB ALA 42 3HB ALA 42 4.888 6.412 4.110 325 H THR 43 H THR 43 5.706 10.769 3.138 326 HA THR 43 HA THR 43 4.371 11.000 0.548 327 HB THR 43 HB THR 43 3.867 13.451 1.239 328 HG1 THR 43 1HG THR 43 5.311 13.154 3.182 329 1HG2 THR 43 1HG2 THR 43 2.379 11.045 1.776 330 2HG2 THR 43 2HG2 THR 43 2.223 12.095 3.204 331 3HG2 THR 43 3HG2 THR 43 1.743 12.697 1.600 332 H ASN 44 H ASN 44 5.620 11.872 -1.036 333 HA ASN 44 HA ASN 44 7.952 13.342 -0.228 334 1HB ASN 44 1HB ASN 44 8.131 10.559 -0.837 335 2HB ASN 44 2HB ASN 44 8.717 11.378 -2.271 336 1HD2 ASN 44 1HD2 ASN 44 10.210 13.278 -1.813 337 2HD2 ASN 44 2HD2 ASN 44 11.459 13.036 -0.638 338 H TYR 45 H TYR 45 7.274 15.163 -1.448 339 HA TYR 45 HA TYR 45 6.258 14.747 -4.133 340 1HB TYR 45 1HB TYR 45 5.924 17.252 -3.895 341 2HB TYR 45 2HB TYR 45 5.237 16.389 -2.532 342 HD1 TYR 45 1HD TYR 45 8.139 18.429 -3.630 343 HD2 TYR 45 2HD TYR 45 6.043 16.735 -0.308 344 HE1 TYR 45 1HE TYR 45 9.523 19.838 -2.031 345 HE2 TYR 45 2HE TYR 45 7.435 18.151 1.282 346 HH TYR 45 HH TYR 45 10.181 19.400 0.644 347 H ASN 46 H ASN 46 7.198 15.680 -6.034 348 HA ASN 46 HA ASN 46 9.723 16.954 -5.807 349 1HB ASN 46 1HB ASN 46 9.509 14.140 -6.993 350 2HB ASN 46 2HB ASN 46 10.861 15.205 -7.321 351 1HD2 ASN 46 1HD2 ASN 46 10.026 12.661 -5.587 352 2HD2 ASN 46 2HD2 ASN 46 10.960 12.859 -4.142 353 H ARG 47 H ARG 47 8.993 18.626 -7.183 354 HA ARG 47 HA ARG 47 7.376 18.010 -9.420 355 1HB ARG 47 1HB ARG 47 7.653 20.235 -7.892 356 2HB ARG 47 2HB ARG 47 8.767 20.675 -9.171 357 1HG ARG 47 1HG ARG 47 7.074 21.104 -10.630 358 2HG ARG 47 2HG ARG 47 6.301 19.567 -10.298 359 1HD ARG 47 1HD ARG 47 4.848 20.474 -8.756 360 2HD ARG 47 2HD ARG 47 6.065 21.539 -8.078 361 HE ARG 47 HE ARG 47 5.214 22.290 -10.788 362 1HH1 ARG 47 2HH2 ARG 47 4.598 22.666 -7.345 363 2HH1 ARG 47 1HH2 ARG 47 3.761 24.170 -7.529 364 1HH2 ARG 47 2HH1 ARG 47 4.109 24.274 -11.032 365 2HH2 ARG 47 1HH1 ARG 47 3.481 25.092 -9.641 366 H GLY 48 H GLY 48 10.824 18.542 -8.751 367 1HA GLY 48 1HA GLY 48 12.002 19.356 -10.988 368 2HA GLY 48 2HA GLY 48 12.600 17.991 -10.067 369 H ASP 49 H ASP 49 10.227 16.260 -10.608 370 HA ASP 49 HA ASP 49 10.529 15.924 -13.479 371 1HB ASP 49 1HB ASP 49 11.785 14.286 -11.622 372 2HB ASP 49 2HB ASP 49 10.284 13.421 -11.887 373 H GLN 50 H GLN 50 8.382 17.134 -11.852 374 HA GLN 50 HA GLN 50 6.278 16.881 -11.209 375 1HB GLN 50 1HB GLN 50 6.373 17.248 -13.768 376 2HB GLN 50 2HB GLN 50 5.951 15.556 -13.927 377 1HG GLN 50 1HG GLN 50 3.801 16.368 -13.874 378 2HG GLN 50 2HG GLN 50 4.037 16.295 -12.139 379 1HE2 GLN 50 1HE2 GLN 50 3.926 18.320 -14.968 380 2HE2 GLN 50 2HE2 GLN 50 3.818 19.857 -14.177 381 H SER 51 H SER 51 7.507 14.905 -9.855 382 HA SER 51 HA SER 51 5.592 12.743 -10.113 383 1HB SER 51 1HB SER 51 7.257 11.027 -9.925 384 2HB SER 51 2HB SER 51 7.800 12.098 -11.200 385 HG SER 51 HG SER 51 8.935 13.195 -9.159 386 H THR 52 H THR 52 5.116 11.675 -8.070 387 HA THR 52 HA THR 52 6.415 12.809 -5.711 388 HB THR 52 HB THR 52 3.513 13.098 -6.546 389 HG1 THR 52 1HG THR 52 4.966 14.906 -6.692 390 1HG2 THR 52 1HG2 THR 52 3.685 13.942 -3.873 391 2HG2 THR 52 2HG2 THR 52 2.814 12.498 -4.444 392 3HG2 THR 52 3HG2 THR 52 4.487 12.354 -3.854 393 H ASP 53 H ASP 53 6.778 11.352 -4.123 394 HA ASP 53 HA ASP 53 5.622 8.726 -4.622 395 1HB ASP 53 1HB ASP 53 8.153 9.567 -3.135 396 2HB ASP 53 2HB ASP 53 7.562 7.918 -3.179 397 H TYR 54 H TYR 54 3.765 8.659 -3.295 398 HA TYR 54 HA TYR 54 4.208 8.854 -0.447 399 1HB TYR 54 1HB TYR 54 2.603 10.648 -0.162 400 2HB TYR 54 2HB TYR 54 3.565 11.176 -1.528 401 HD1 TYR 54 1HD TYR 54 0.461 11.511 -0.495 402 HD2 TYR 54 2HD TYR 54 2.459 9.596 -3.758 403 HE1 TYR 54 1HE TYR 54 -1.644 11.706 -1.909 404 HE2 TYR 54 2HE TYR 54 0.348 9.797 -5.160 405 HH TYR 54 HH TYR 54 -1.626 10.771 -5.307 406 H GLY 55 H GLY 55 2.155 8.190 0.770 407 1HA GLY 55 1HA GLY 55 -0.096 7.210 0.337 408 2HA GLY 55 2HA GLY 55 0.690 6.204 -0.864 409 H ILE 56 H ILE 56 -0.762 5.173 1.398 410 HA ILE 56 HA ILE 56 0.751 4.575 3.610 411 HB ILE 56 HB ILE 56 -1.656 4.183 3.340 412 1HG1 ILE 56 1HG1 ILE 56 -1.712 1.974 4.530 413 2HG1 ILE 56 2HG1 ILE 56 -0.001 1.794 4.199 414 1HG2 ILE 56 1HG2 ILE 56 -1.984 3.292 1.219 415 2HG2 ILE 56 2HG2 ILE 56 -0.713 2.063 1.424 416 3HG2 ILE 56 3HG2 ILE 56 -2.260 1.897 2.289 417 1HD1 ILE 56 1HD1 ILE 56 -1.290 3.337 6.287 418 2HD1 ILE 56 2HD1 ILE 56 0.445 3.013 6.050 419 3HD1 ILE 56 3HD1 ILE 56 -0.312 4.420 5.267 420 H PHE 57 H PHE 57 0.809 3.164 0.327 421 HA PHE 57 HA PHE 57 2.933 1.364 1.249 422 1HB PHE 57 1HB PHE 57 0.979 1.419 -1.121 423 2HB PHE 57 2HB PHE 57 2.328 0.301 -1.076 424 HD1 PHE 57 1HD PHE 57 -1.055 0.780 -0.208 425 HD2 PHE 57 2HD PHE 57 2.469 -1.225 1.045 426 HE1 PHE 57 1HE PHE 57 -2.447 -0.848 1.102 427 HE2 PHE 57 2HE PHE 57 1.077 -2.852 2.355 428 HZ PHE 57 HZ PHE 57 -1.363 -2.644 2.367 429 H GLN 58 H GLN 58 3.168 4.315 0.605 430 HA GLN 58 HA GLN 58 4.296 5.694 -0.677 431 1HB GLN 58 1HB GLN 58 6.021 4.296 0.667 432 2HB GLN 58 2HB GLN 58 6.389 3.496 -0.848 433 1HG GLN 58 1HG GLN 58 7.697 5.233 -1.486 434 2HG GLN 58 2HG GLN 58 6.343 6.338 -1.348 435 1HE2 GLN 58 1HE2 GLN 58 7.445 8.021 -0.494 436 2HE2 GLN 58 2HE2 GLN 58 8.144 8.044 1.091 437 H ILE 59 H ILE 59 3.017 5.863 -2.579 438 HA ILE 59 HA ILE 59 3.997 4.219 -4.809 439 HB ILE 59 HB ILE 59 1.222 5.199 -4.171 440 1HG1 ILE 59 1HG1 ILE 59 1.938 2.398 -4.960 441 2HG1 ILE 59 2HG1 ILE 59 2.335 2.938 -3.341 442 1HG2 ILE 59 1HG2 ILE 59 2.419 4.395 -6.802 443 2HG2 ILE 59 2HG2 ILE 59 0.724 3.992 -6.436 444 3HG2 ILE 59 3HG2 ILE 59 1.258 5.689 -6.422 445 1HD1 ILE 59 1HD1 ILE 59 -0.421 3.599 -4.326 446 2HD1 ILE 59 2HD1 ILE 59 -0.077 1.890 -3.967 447 3HD1 ILE 59 3HD1 ILE 59 0.120 3.123 -2.698 448 H ASN 60 H ASN 60 4.157 5.292 -6.891 449 HA ASN 60 HA ASN 60 4.913 8.029 -6.509 450 1HB ASN 60 1HB ASN 60 5.494 5.857 -8.421 451 2HB ASN 60 2HB ASN 60 5.176 7.365 -9.254 452 1HD2 ASN 60 1HD2 ASN 60 6.265 9.324 -8.319 453 2HD2 ASN 60 2HD2 ASN 60 7.917 9.171 -7.820 454 H SER 61 H SER 61 3.742 9.808 -7.356 455 HA SER 61 HA SER 61 1.154 9.153 -8.430 456 1HB SER 61 1HB SER 61 1.151 10.790 -6.662 457 2HB SER 61 2HB SER 61 2.428 11.721 -7.417 458 HG SER 61 HG SER 61 0.491 12.791 -7.864 459 H ARG 62 H ARG 62 4.107 9.292 -9.770 460 HA ARG 62 HA ARG 62 3.500 11.131 -11.883 461 1HB ARG 62 1HB ARG 62 5.799 11.183 -11.308 462 2HB ARG 62 2HB ARG 62 5.892 9.446 -11.093 463 1HG ARG 62 1HG ARG 62 5.992 9.023 -13.424 464 2HG ARG 62 2HG ARG 62 5.266 10.563 -13.839 465 1HD ARG 62 1HD ARG 62 7.319 11.759 -13.100 466 2HD ARG 62 2HD ARG 62 8.045 10.243 -12.603 467 HE ARG 62 HE ARG 62 7.702 11.204 -15.365 468 1HH1 ARG 62 2HH2 ARG 62 8.376 8.439 -13.294 469 2HH1 ARG 62 1HH2 ARG 62 9.148 7.527 -14.549 470 1HH2 ARG 62 2HH1 ARG 62 8.720 9.999 -17.020 471 2HH2 ARG 62 1HH1 ARG 62 9.345 8.420 -16.682 472 H TYR 63 H TYR 63 2.968 7.818 -11.097 473 HA TYR 63 HA TYR 63 2.428 7.233 -13.928 474 1HB TYR 63 1HB TYR 63 4.392 6.117 -12.242 475 2HB TYR 63 2HB TYR 63 3.054 5.012 -12.005 476 HD1 TYR 63 1HD TYR 63 5.798 5.903 -14.115 477 HD2 TYR 63 2HD TYR 63 1.983 3.966 -14.124 478 HE1 TYR 63 1HE TYR 63 6.409 4.693 -16.266 479 HE2 TYR 63 2HE TYR 63 2.608 2.762 -16.274 480 HH TYR 63 HH TYR 63 5.520 3.581 -18.018 481 H TRP 64 H TRP 64 1.655 6.666 -10.457 482 HA TRP 64 HA TRP 64 -0.924 5.558 -11.311 483 1HB TRP 64 1HB TRP 64 0.524 5.348 -8.666 484 2HB TRP 64 2HB TRP 64 -1.071 4.704 -8.996 485 HD1 TRP 64 HD TRP 64 2.473 3.651 -9.075 486 HE1 TRP 64 1HE TRP 64 2.868 1.367 -10.335 487 HE3 TRP 64 3HE TRP 64 -2.099 3.482 -11.294 488 HZ2 TRP 64 2HZ TRP 64 1.260 -0.220 -12.080 489 HZ3 TRP 64 3HZ TRP 64 -2.606 1.530 -12.761 490 HH2 TRP 64 HH TRP 64 -1.015 -0.279 -13.169 491 H CYS 65 H CYS 65 -2.846 6.327 -10.036 492 HA CYS 65 HA CYS 65 -4.153 7.938 -9.323 493 1HB CYS 65 1HB CYS 65 -3.647 8.895 -7.350 494 2HB CYS 65 2HB CYS 65 -2.335 7.735 -7.403 495 H ASN 66 H ASN 66 -4.684 10.308 -9.626 496 HA ASN 66 HA ASN 66 -2.817 11.593 -11.446 497 1HB ASN 66 1HB ASN 66 -5.007 10.386 -12.467 498 2HB ASN 66 2HB ASN 66 -5.794 11.858 -11.935 499 1HD2 ASN 66 1HD2 ASN 66 -2.582 11.127 -13.296 500 2HD2 ASN 66 2HD2 ASN 66 -2.652 12.232 -14.628 501 H ASP 67 H ASP 67 -4.293 13.949 -11.935 502 HA ASP 67 HA ASP 67 -5.016 14.856 -9.265 503 1HB ASP 67 1HB ASP 67 -2.780 15.713 -9.680 504 2HB ASP 67 2HB ASP 67 -3.201 16.198 -11.310 505 H GLY 68 H GLY 68 -4.999 15.456 -12.846 506 1HA GLY 68 1HA GLY 68 -6.984 15.774 -14.067 507 2HA GLY 68 2HA GLY 68 -7.765 16.435 -12.644 508 H LYS 69 H LYS 69 -4.698 17.731 -12.531 509 HA LYS 69 HA LYS 69 -5.491 20.021 -14.193 510 1HB LYS 69 1HB LYS 69 -4.278 19.972 -11.422 511 2HB LYS 69 2HB LYS 69 -4.216 21.388 -12.452 512 1HG LYS 69 1HG LYS 69 -6.652 21.508 -12.570 513 2HG LYS 69 2HG LYS 69 -6.822 19.950 -11.784 514 1HD LYS 69 1HD LYS 69 -5.968 20.818 -9.679 515 2HD LYS 69 2HD LYS 69 -5.446 22.311 -10.433 516 1HE LYS 69 1HE LYS 69 -7.575 23.217 -10.447 517 2HE LYS 69 2HE LYS 69 -8.347 21.678 -10.773 518 1HZ LYS 69 1HZ LYS 69 -8.875 21.755 -8.638 519 2HZ LYS 69 2HZ LYS 69 -7.330 21.334 -8.315 520 3HZ LYS 69 3HZ LYS 69 -7.775 22.905 -8.272 521 H THR 70 H THR 70 -3.466 17.407 -13.960 522 HA THR 70 HA THR 70 -1.341 18.860 -15.383 523 HB THR 70 HB THR 70 -1.156 16.817 -13.124 524 HG1 THR 70 1HG THR 70 -1.065 19.050 -12.538 525 1HG2 THR 70 1HG2 THR 70 0.965 16.180 -13.754 526 2HG2 THR 70 2HG2 THR 70 0.467 16.676 -15.389 527 3HG2 THR 70 3HG2 THR 70 1.361 17.811 -14.349 528 HA PRO 71 HA PRO 71 -2.821 15.700 -18.118 529 1HB PRO 71 1HB PRO 71 -2.566 17.147 -20.422 530 2HB PRO 71 2HB PRO 71 -4.041 17.103 -19.476 531 1HG PRO 71 1HG PRO 71 -2.036 19.265 -19.682 532 2HG PRO 71 2HG PRO 71 -3.687 19.352 -19.103 533 1HD PRO 71 1HD PRO 71 -1.308 19.325 -17.502 534 2HD PRO 71 2HD PRO 71 -2.961 19.294 -16.922 535 H ARG 72 H ARG 72 -0.539 15.176 -16.981 536 HA ARG 72 HA ARG 72 1.110 14.704 -19.321 537 1HB ARG 72 1HB ARG 72 1.798 16.305 -16.950 538 2HB ARG 72 2HB ARG 72 2.919 14.974 -17.152 539 1HG ARG 72 1HG ARG 72 3.983 16.308 -18.663 540 2HG ARG 72 2HG ARG 72 2.681 15.895 -19.760 541 1HD ARG 72 1HD ARG 72 2.409 18.182 -19.859 542 2HD ARG 72 2HD ARG 72 1.460 17.924 -18.409 543 HE ARG 72 HE ARG 72 4.132 18.192 -17.543 544 1HH1 ARG 72 2HH2 ARG 72 1.754 20.164 -19.225 545 2HH1 ARG 72 1HH2 ARG 72 2.399 21.664 -18.646 546 1HH2 ARG 72 2HH1 ARG 72 4.984 20.169 -16.778 547 2HH2 ARG 72 1HH1 ARG 72 4.249 21.666 -17.245 548 H ALA 73 H ALA 73 0.875 14.050 -15.739 549 HA ALA 73 HA ALA 73 2.164 11.662 -15.648 550 1HB ALA 73 1HB ALA 73 1.575 12.240 -13.538 551 2HB ALA 73 2HB ALA 73 0.105 13.085 -14.080 552 3HB ALA 73 3HB ALA 73 0.087 11.319 -13.860 553 H VAL 74 H VAL 74 1.254 9.404 -15.429 554 HA VAL 74 HA VAL 74 -0.951 9.039 -17.337 555 HB VAL 74 HB VAL 74 1.145 8.424 -18.352 556 1HG1 VAL 74 1HG1 VAL 74 2.233 6.265 -17.156 557 2HG1 VAL 74 2HG1 VAL 74 2.768 7.933 -16.839 558 3HG1 VAL 74 3HG1 VAL 74 1.639 7.132 -15.719 559 1HG2 VAL 74 1HG2 VAL 74 0.239 6.618 -19.322 560 2HG2 VAL 74 2HG2 VAL 74 0.288 5.679 -17.811 561 3HG2 VAL 74 3HG2 VAL 74 -1.077 6.775 -18.133 562 H ASN 75 H ASN 75 -2.006 9.388 -15.024 563 HA ASN 75 HA ASN 75 -1.783 7.612 -13.027 564 1HB ASN 75 1HB ASN 75 -4.341 8.027 -12.715 565 2HB ASN 75 2HB ASN 75 -3.299 9.437 -12.718 566 1HD2 ASN 75 1HD2 ASN 75 -6.162 8.953 -13.452 567 2HD2 ASN 75 2HD2 ASN 75 -6.371 9.630 -15.032 568 H ALA 76 H ALA 76 -1.586 5.373 -13.430 569 HA ALA 76 HA ALA 76 -3.314 4.143 -15.398 570 1HB ALA 76 1HB ALA 76 -1.109 3.342 -15.499 571 2HB ALA 76 2HB ALA 76 -0.939 3.297 -13.727 572 3HB ALA 76 3HB ALA 76 -1.944 2.084 -14.557 573 H CYS 77 H CYS 77 -3.457 5.019 -12.104 574 HA CYS 77 HA CYS 77 -5.007 2.709 -11.328 575 1HB CYS 77 1HB CYS 77 -3.348 3.851 -9.814 576 2HB CYS 77 2HB CYS 77 -4.444 5.217 -9.739 577 H GLY 78 H GLY 78 -5.333 6.189 -12.170 578 1HA GLY 78 1HA GLY 78 -7.122 7.374 -12.855 579 2HA GLY 78 2HA GLY 78 -8.026 5.880 -12.998 580 H ILE 79 H ILE 79 -6.536 7.785 -10.272 581 HA ILE 79 HA ILE 79 -9.164 8.038 -9.085 582 HB ILE 79 HB ILE 79 -8.929 6.649 -7.375 583 1HG1 ILE 79 1HG1 ILE 79 -7.236 8.148 -6.349 584 2HG1 ILE 79 2HG1 ILE 79 -7.009 6.456 -5.951 585 1HG2 ILE 79 1HG2 ILE 79 -6.740 5.605 -9.181 586 2HG2 ILE 79 2HG2 ILE 79 -7.339 4.727 -7.753 587 3HG2 ILE 79 3HG2 ILE 79 -8.442 5.094 -9.100 588 1HD1 ILE 79 1HD1 ILE 79 -4.826 7.178 -6.500 589 2HD1 ILE 79 2HD1 ILE 79 -5.379 6.405 -8.004 590 3HD1 ILE 79 3HD1 ILE 79 -5.397 8.179 -7.856 591 H ASN 80 H ASN 80 -9.021 9.502 -7.082 592 HA ASN 80 HA ASN 80 -7.503 11.740 -7.853 593 1HB ASN 80 1HB ASN 80 -9.312 11.060 -5.503 594 2HB ASN 80 2HB ASN 80 -8.388 12.548 -5.477 595 1HD2 ASN 80 1HD2 ASN 80 -10.719 10.650 -7.324 596 2HD2 ASN 80 2HD2 ASN 80 -11.497 11.965 -8.141 597 H CYS 81 H CYS 81 -5.369 12.154 -7.252 598 HA CYS 81 HA CYS 81 -3.828 10.432 -5.828 599 1HB CYS 81 1HB CYS 81 -3.585 13.334 -6.505 600 2HB CYS 81 2HB CYS 81 -2.428 12.632 -5.391 601 H SER 82 H SER 82 -5.868 13.173 -4.715 602 HA SER 82 HA SER 82 -4.925 13.414 -2.170 603 1HB SER 82 1HB SER 82 -7.555 13.919 -3.526 604 2HB SER 82 2HB SER 82 -7.554 13.940 -1.774 605 HG SER 82 HG SER 82 -6.525 15.821 -1.778 606 H ALA 83 H ALA 83 -6.703 10.796 -3.668 607 HA ALA 83 HA ALA 83 -7.969 9.752 -1.391 608 1HB ALA 83 1HB ALA 83 -6.944 8.274 -3.846 609 2HB ALA 83 2HB ALA 83 -8.265 7.777 -2.762 610 3HB ALA 83 3HB ALA 83 -8.459 9.209 -3.800 611 H LEU 84 H LEU 84 -4.645 10.055 -2.251 612 HA LEU 84 HA LEU 84 -3.922 7.790 -0.545 613 1HB LEU 84 1HB LEU 84 -2.086 9.441 -2.270 614 2HB LEU 84 2HB LEU 84 -1.771 7.881 -1.536 615 HG LEU 84 HG LEU 84 -3.678 8.457 -3.819 616 1HD1 LEU 84 1HD1 LEU 84 -0.879 7.568 -3.644 617 2HD1 LEU 84 2HD1 LEU 84 -1.908 6.568 -4.694 618 3HD1 LEU 84 3HD1 LEU 84 -1.772 8.318 -4.989 619 1HD2 LEU 84 1HD2 LEU 84 -4.801 6.743 -2.779 620 2HD2 LEU 84 2HD2 LEU 84 -3.697 5.833 -3.838 621 3HD2 LEU 84 3HD2 LEU 84 -3.317 6.023 -2.110 622 H LEU 85 H LEU 85 -4.981 10.713 0.070 623 HA LEU 85 HA LEU 85 -2.989 11.144 2.165 624 1HB LEU 85 1HB LEU 85 -3.230 12.772 -0.090 625 2HB LEU 85 2HB LEU 85 -4.092 13.635 1.168 626 HG LEU 85 HG LEU 85 -1.293 12.579 1.591 627 1HD1 LEU 85 1HD1 LEU 85 -1.552 15.450 1.006 628 2HD1 LEU 85 2HD1 LEU 85 -0.320 14.273 0.494 629 3HD1 LEU 85 3HD1 LEU 85 -1.867 14.381 -0.381 630 1HD2 LEU 85 1HD2 LEU 85 -2.749 14.870 2.931 631 2HD2 LEU 85 2HD2 LEU 85 -2.680 13.211 3.570 632 3HD2 LEU 85 3HD2 LEU 85 -1.184 14.157 3.389 633 H GLN 86 H GLN 86 -5.892 10.015 1.622 634 HA GLN 86 HA GLN 86 -7.301 11.781 3.432 635 1HB GLN 86 1HB GLN 86 -8.261 9.405 1.778 636 2HB GLN 86 2HB GLN 86 -9.295 10.363 2.819 637 1HG GLN 86 1HG GLN 86 -7.962 12.292 1.264 638 2HG GLN 86 2HG GLN 86 -8.256 10.987 0.132 639 1HE2 GLN 86 1HE2 GLN 86 -9.456 13.423 -0.157 640 2HE2 GLN 86 2HE2 GLN 86 -11.161 13.312 0.119 641 H ASP 87 H ASP 87 -9.066 9.993 4.685 642 HA ASP 87 HA ASP 87 -7.269 8.855 6.583 643 1HB ASP 87 1HB ASP 87 -9.251 10.016 7.397 644 2HB ASP 87 2HB ASP 87 -10.305 9.042 6.392 645 H ASP 88 H ASP 88 -10.339 7.590 5.072 646 HA ASP 88 HA ASP 88 -9.947 4.984 5.519 647 1HB ASP 88 1HB ASP 88 -11.032 6.096 2.892 648 2HB ASP 88 2HB ASP 88 -11.440 4.553 3.614 649 H ILE 89 H ILE 89 -8.648 3.324 4.621 650 HA ILE 89 HA ILE 89 -6.663 4.201 2.683 651 HB ILE 89 HB ILE 89 -5.435 2.247 3.329 652 1HG1 ILE 89 1HG1 ILE 89 -7.877 1.478 4.954 653 2HG1 ILE 89 2HG1 ILE 89 -7.251 0.644 3.544 654 1HG2 ILE 89 1HG2 ILE 89 -6.035 4.394 4.998 655 2HG2 ILE 89 2HG2 ILE 89 -6.156 2.965 6.050 656 3HG2 ILE 89 3HG2 ILE 89 -4.658 3.276 5.140 657 1HD1 ILE 89 1HD1 ILE 89 -5.323 -0.131 4.689 658 2HD1 ILE 89 2HD1 ILE 89 -5.479 1.100 5.966 659 3HD1 ILE 89 3HD1 ILE 89 -6.614 -0.270 5.908 660 H THR 90 H THR 90 -9.757 3.075 2.543 661 HA THR 90 HA THR 90 -9.814 0.839 0.995 662 HB THR 90 HB THR 90 -11.746 2.234 1.922 663 HG1 THR 90 1HG THR 90 -11.621 1.588 -0.941 664 1HG2 THR 90 1HG2 THR 90 -11.044 4.455 0.941 665 2HG2 THR 90 2HG2 THR 90 -11.295 3.779 -0.686 666 3HG2 THR 90 3HG2 THR 90 -12.676 3.970 0.421 667 H ALA 91 H ALA 91 -8.983 4.176 -0.040 668 HA ALA 91 HA ALA 91 -8.871 3.500 -2.786 669 1HB ALA 91 1HB ALA 91 -9.199 5.797 -1.791 670 2HB ALA 91 2HB ALA 91 -7.484 5.773 -1.314 671 3HB ALA 91 3HB ALA 91 -7.931 5.712 -3.036 672 H ALA 92 H ALA 92 -6.548 3.500 -0.052 673 HA ALA 92 HA ALA 92 -4.242 3.136 -1.604 674 1HB ALA 92 1HB ALA 92 -3.524 2.042 0.718 675 2HB ALA 92 2HB ALA 92 -3.791 3.796 0.567 676 3HB ALA 92 3HB ALA 92 -5.060 2.759 1.261 677 H ILE 93 H ILE 93 -6.684 0.885 -0.227 678 HA ILE 93 HA ILE 93 -5.214 -1.442 -0.908 679 HB ILE 93 HB ILE 93 -8.164 -1.125 -0.346 680 1HG1 ILE 93 1HG1 ILE 93 -5.876 -1.587 1.590 681 2HG1 ILE 93 2HG1 ILE 93 -6.800 -0.106 1.432 682 1HG2 ILE 93 1HG2 ILE 93 -6.637 -3.370 -1.139 683 2HG2 ILE 93 2HG2 ILE 93 -7.002 -3.575 0.591 684 3HG2 ILE 93 3HG2 ILE 93 -8.323 -3.324 -0.574 685 1HD1 ILE 93 1HD1 ILE 93 -8.100 -2.794 2.049 686 2HD1 ILE 93 2HD1 ILE 93 -7.553 -1.664 3.310 687 3HD1 ILE 93 3HD1 ILE 93 -8.836 -1.178 2.177 688 H GLN 94 H GLN 94 -8.040 0.285 -2.389 689 HA GLN 94 HA GLN 94 -8.376 -1.423 -4.492 690 1HB GLN 94 1HB GLN 94 -9.790 0.613 -3.717 691 2HB GLN 94 2HB GLN 94 -8.733 1.587 -4.719 692 1HG GLN 94 1HG GLN 94 -9.887 0.988 -6.574 693 2HG GLN 94 2HG GLN 94 -9.535 -0.703 -6.276 694 1HE2 GLN 94 1HE2 GLN 94 -10.961 -1.977 -5.080 695 2HE2 GLN 94 2HE2 GLN 94 -12.623 -1.550 -4.841 696 H CYS 95 H CYS 95 -6.285 1.530 -4.256 697 HA CYS 95 HA CYS 95 -5.328 1.320 -6.884 698 1HB CYS 95 1HB CYS 95 -5.227 3.222 -4.959 699 2HB CYS 95 2HB CYS 95 -3.596 2.590 -4.845 700 H ALA 96 H ALA 96 -4.251 0.111 -3.662 701 HA ALA 96 HA ALA 96 -1.745 -0.791 -4.302 702 1HB ALA 96 1HB ALA 96 -2.363 -2.593 -2.510 703 2HB ALA 96 2HB ALA 96 -2.367 -0.875 -2.042 704 3HB ALA 96 3HB ALA 96 -3.902 -1.706 -2.393 705 H LYS 97 H LYS 97 -4.925 -2.498 -4.669 706 HA LYS 97 HA LYS 97 -3.739 -4.790 -5.826 707 1HB LYS 97 1HB LYS 97 -6.074 -5.413 -6.337 708 2HB LYS 97 2HB LYS 97 -5.842 -4.953 -4.663 709 1HG LYS 97 1HG LYS 97 -6.781 -2.724 -5.077 710 2HG LYS 97 2HG LYS 97 -6.845 -3.021 -6.803 711 1HD LYS 97 1HD LYS 97 -8.257 -5.194 -5.682 712 2HD LYS 97 2HD LYS 97 -8.743 -3.824 -4.704 713 1HE LYS 97 1HE LYS 97 -9.763 -2.720 -6.490 714 2HE LYS 97 2HE LYS 97 -8.674 -3.403 -7.682 715 1HZ LYS 97 1HZ LYS 97 -10.065 -5.501 -6.563 716 2HZ LYS 97 2HZ LYS 97 -11.172 -4.344 -6.889 717 3HZ LYS 97 3HZ LYS 97 -10.205 -4.909 -8.079 718 H ARG 98 H ARG 98 -5.355 -1.835 -7.132 719 HA ARG 98 HA ARG 98 -5.317 -2.637 -9.760 720 1HB ARG 98 1HB ARG 98 -6.560 -0.649 -8.829 721 2HB ARG 98 2HB ARG 98 -5.039 0.201 -8.647 722 1HG ARG 98 1HG ARG 98 -4.779 0.539 -10.938 723 2HG ARG 98 2HG ARG 98 -5.618 -0.939 -11.365 724 1HD ARG 98 1HD ARG 98 -7.738 0.312 -10.333 725 2HD ARG 98 2HD ARG 98 -6.787 1.755 -10.628 726 HE ARG 98 HE ARG 98 -7.088 1.466 -12.938 727 1HH1 ARG 98 2HH2 ARG 98 -7.962 -1.504 -11.265 728 2HH1 ARG 98 1HH2 ARG 98 -8.624 -2.256 -12.678 729 1HH2 ARG 98 2HH1 ARG 98 -7.961 0.476 -14.802 730 2HH2 ARG 98 1HH1 ARG 98 -8.624 -1.122 -14.704 731 H VAL 99 H VAL 99 -2.746 -1.598 -7.618 732 HA VAL 99 HA VAL 99 -0.992 -0.815 -9.778 733 HB VAL 99 HB VAL 99 -0.851 -0.913 -6.781 734 1HG1 VAL 99 1HG1 VAL 99 1.307 -1.659 -7.127 735 2HG1 VAL 99 2HG1 VAL 99 1.448 -0.863 -8.713 736 3HG1 VAL 99 3HG1 VAL 99 1.542 0.102 -7.219 737 1HG2 VAL 99 1HG2 VAL 99 -1.153 1.119 -8.880 738 2HG2 VAL 99 2HG2 VAL 99 -1.583 1.178 -7.154 739 3HG2 VAL 99 3HG2 VAL 99 0.085 1.529 -7.669 740 H VAL 100 H VAL 100 -1.059 -3.370 -7.188 741 HA VAL 100 HA VAL 100 1.097 -4.804 -8.187 742 HB VAL 100 HB VAL 100 -1.294 -5.919 -6.718 743 1HG1 VAL 100 1HG1 VAL 100 1.591 -6.694 -6.312 744 2HG1 VAL 100 2HG1 VAL 100 0.111 -7.617 -5.956 745 3HG1 VAL 100 3HG1 VAL 100 0.638 -7.396 -7.642 746 1HG2 VAL 100 1HG2 VAL 100 -0.860 -4.636 -4.948 747 2HG2 VAL 100 2HG2 VAL 100 0.844 -5.154 -4.951 748 3HG2 VAL 100 3HG2 VAL 100 0.340 -3.744 -5.915 749 H ARG 101 H ARG 101 -2.230 -4.507 -9.289 750 HA ARG 101 HA ARG 101 -2.531 -6.909 -10.548 751 1HB ARG 101 1HB ARG 101 -4.276 -5.080 -10.267 752 2HB ARG 101 2HB ARG 101 -3.499 -4.187 -11.559 753 1HG ARG 101 1HG ARG 101 -5.161 -5.332 -12.746 754 2HG ARG 101 2HG ARG 101 -3.801 -6.418 -12.949 755 1HD ARG 101 1HD ARG 101 -4.790 -8.074 -11.718 756 2HD ARG 101 2HD ARG 101 -5.294 -6.964 -10.460 757 HE ARG 101 HE ARG 101 -6.980 -6.348 -12.582 758 1HH1 ARG 101 2HH2 ARG 101 -6.196 -9.300 -10.835 759 2HH1 ARG 101 1HH2 ARG 101 -7.752 -10.018 -11.095 760 1HH2 ARG 101 2HH1 ARG 101 -9.031 -7.294 -12.925 761 2HH2 ARG 101 1HH1 ARG 101 -9.374 -8.869 -12.292 762 H ASP 102 H ASP 102 -0.368 -4.265 -11.247 763 HA ASP 102 HA ASP 102 -0.171 -4.657 -14.014 764 1HB ASP 102 1HB ASP 102 0.982 -2.966 -11.988 765 2HB ASP 102 2HB ASP 102 2.311 -3.686 -12.877 766 HA PRO 103 HA PRO 103 2.889 -7.816 -14.128 767 1HB PRO 103 1HB PRO 103 4.876 -6.952 -15.793 768 2HB PRO 103 2HB PRO 103 3.341 -7.563 -16.373 769 1HG PRO 103 1HG PRO 103 4.297 -4.769 -16.253 770 2HG PRO 103 2HG PRO 103 2.980 -5.438 -17.194 771 1HD PRO 103 1HD PRO 103 2.755 -3.896 -14.787 772 2HD PRO 103 2HD PRO 103 1.448 -4.664 -15.665 773 H GLN 104 H GLN 104 3.527 -5.101 -12.476 774 HA GLN 104 HA GLN 104 6.241 -5.479 -11.930 775 1HB GLN 104 1HB GLN 104 4.129 -4.126 -10.195 776 2HB GLN 104 2HB GLN 104 5.861 -3.889 -10.081 777 1HG GLN 104 1HG GLN 104 4.735 -3.458 -12.808 778 2HG GLN 104 2HG GLN 104 4.161 -2.327 -11.599 779 1HE2 GLN 104 1HE2 GLN 104 5.386 -0.944 -13.195 780 2HE2 GLN 104 2HE2 GLN 104 7.050 -0.608 -12.853 781 H GLY 105 H GLY 105 3.304 -6.151 -9.880 782 1HA GLY 105 1HA GLY 105 2.884 -7.947 -8.547 783 2HA GLY 105 2HA GLY 105 4.417 -8.661 -9.002 784 H ILE 106 H ILE 106 3.239 -8.449 -6.294 785 HA ILE 106 HA ILE 106 4.077 -6.464 -4.704 786 HB ILE 106 HB ILE 106 3.855 -9.413 -4.368 787 1HG1 ILE 106 1HG1 ILE 106 1.990 -7.565 -4.309 788 2HG1 ILE 106 2HG1 ILE 106 1.947 -8.922 -3.201 789 1HG2 ILE 106 1HG2 ILE 106 5.273 -7.571 -2.462 790 2HG2 ILE 106 2HG2 ILE 106 4.335 -8.958 -1.860 791 3HG2 ILE 106 3HG2 ILE 106 5.697 -9.221 -2.975 792 1HD1 ILE 106 1HD1 ILE 106 3.220 -6.233 -2.522 793 2HD1 ILE 106 2HD1 ILE 106 1.551 -6.682 -2.096 794 3HD1 ILE 106 3HD1 ILE 106 2.920 -7.586 -1.406 795 H ARG 107 H ARG 107 6.116 -8.892 -6.339 796 HA ARG 107 HA ARG 107 8.388 -8.808 -5.011 797 1HB ARG 107 1HB ARG 107 7.778 -9.787 -7.390 798 2HB ARG 107 2HB ARG 107 8.456 -8.293 -8.008 799 1HG ARG 107 1HG ARG 107 10.452 -9.404 -7.938 800 2HG ARG 107 2HG ARG 107 10.423 -9.036 -6.225 801 1HD ARG 107 1HD ARG 107 9.511 -11.208 -5.669 802 2HD ARG 107 2HD ARG 107 9.108 -11.551 -7.340 803 HE ARG 107 HE ARG 107 11.699 -11.917 -6.082 804 1HH1 ARG 107 2HH2 ARG 107 10.148 -11.162 -9.149 805 2HH1 ARG 107 1HH2 ARG 107 11.468 -11.750 -10.106 806 1HH2 ARG 107 2HH1 ARG 107 13.440 -12.692 -7.345 807 2HH2 ARG 107 1HH1 ARG 107 13.352 -12.625 -9.073 808 H ALA 108 H ALA 108 7.015 -6.166 -7.013 809 HA ALA 108 HA ALA 108 9.080 -4.498 -7.401 810 1HB ALA 108 1HB ALA 108 6.325 -3.734 -6.350 811 2HB ALA 108 2HB ALA 108 7.437 -2.676 -7.251 812 3HB ALA 108 3HB ALA 108 6.718 -4.096 -8.048 813 H TRP 109 H TRP 109 7.456 -5.233 -4.291 814 HA TRP 109 HA TRP 109 9.184 -3.308 -2.945 815 1HB TRP 109 1HB TRP 109 6.870 -4.977 -1.945 816 2HB TRP 109 2HB TRP 109 7.809 -3.871 -0.962 817 HD1 TRP 109 HD TRP 109 7.528 -1.170 -1.598 818 HE1 TRP 109 1HE TRP 109 5.544 0.226 -2.636 819 HE3 TRP 109 3HE TRP 109 5.049 -5.156 -3.553 820 HZ2 TRP 109 2HZ TRP 109 3.212 -0.477 -4.124 821 HZ3 TRP 109 3HZ TRP 109 2.926 -4.715 -4.783 822 HH2 TRP 109 HH TRP 109 2.003 -2.472 -5.083 823 H VAL 110 H VAL 110 10.956 -4.919 -3.893 824 HA VAL 110 HA VAL 110 11.346 -7.451 -3.087 825 HB VAL 110 HB VAL 110 13.258 -5.138 -3.359 826 1HG1 VAL 110 1HG1 VAL 110 13.857 -8.022 -2.683 827 2HG1 VAL 110 2HG1 VAL 110 15.027 -7.005 -3.559 828 3HG1 VAL 110 3HG1 VAL 110 14.487 -6.538 -1.928 829 1HG2 VAL 110 1HG2 VAL 110 12.964 -7.558 -5.148 830 2HG2 VAL 110 2HG2 VAL 110 11.936 -6.116 -5.332 831 3HG2 VAL 110 3HG2 VAL 110 13.702 -5.980 -5.515 832 H ALA 111 H ALA 111 11.342 -4.542 -1.075 833 HA ALA 111 HA ALA 111 12.790 -5.303 1.094 834 1HB ALA 111 1HB ALA 111 10.380 -4.104 2.043 835 2HB ALA 111 2HB ALA 111 11.946 -3.321 1.725 836 3HB ALA 111 3HB ALA 111 10.720 -3.411 0.439 837 H TRP 112 H TRP 112 9.335 -6.138 0.361 838 HA TRP 112 HA TRP 112 8.861 -7.609 2.655 839 1HB TRP 112 1HB TRP 112 6.896 -7.380 1.647 840 2HB TRP 112 2HB TRP 112 7.617 -7.195 0.061 841 HD1 TRP 112 HD TRP 112 5.874 -9.779 2.223 842 HE1 TRP 112 1HE TRP 112 5.496 -12.055 0.942 843 HE3 TRP 112 3HE TRP 112 8.822 -8.635 -1.759 844 HZ2 TRP 112 2HZ TRP 112 6.451 -13.098 -1.536 845 HZ3 TRP 112 3HZ TRP 112 9.046 -10.337 -3.565 846 HH2 TRP 112 HH TRP 112 7.919 -12.505 -3.499 847 H ARG 113 H ARG 113 10.507 -8.401 -0.429 848 HA ARG 113 HA ARG 113 10.594 -11.147 0.024 849 1HB ARG 113 1HB ARG 113 11.043 -9.753 -2.159 850 2HB ARG 113 2HB ARG 113 12.684 -9.601 -1.563 851 1HG ARG 113 1HG ARG 113 11.405 -12.345 -1.673 852 2HG ARG 113 2HG ARG 113 12.012 -11.627 -3.153 853 1HD ARG 113 1HD ARG 113 14.112 -11.166 -1.370 854 2HD ARG 113 2HD ARG 113 13.513 -12.725 -0.842 855 HE ARG 113 HE ARG 113 13.752 -12.632 -3.732 856 1HH1 ARG 113 2HH2 ARG 113 15.621 -13.015 -0.775 857 2HH1 ARG 113 1HH2 ARG 113 16.888 -13.915 -1.541 858 1HH2 ARG 113 2HH1 ARG 113 15.423 -13.820 -4.743 859 2HH2 ARG 113 1HH1 ARG 113 16.774 -14.375 -3.813 860 H ALA 114 H ALA 114 12.203 -8.496 1.520 861 HA ALA 114 HA ALA 114 14.249 -10.326 2.576 862 1HB ALA 114 1HB ALA 114 15.786 -8.434 2.674 863 2HB ALA 114 2HB ALA 114 15.183 -8.617 1.009 864 3HB ALA 114 3HB ALA 114 14.526 -7.338 2.058 865 H HIS 115 H HIS 115 11.486 -9.830 3.512 866 HA HIS 115 HA HIS 115 12.210 -9.033 6.186 867 1HB HIS 115 1HB HIS 115 11.035 -7.149 4.472 868 2HB HIS 115 2HB HIS 115 9.714 -7.727 5.466 869 HD1 HIS 115 1HD HIS 115 9.400 -6.344 7.509 870 HD2 HIS 115 2HD HIS 115 13.429 -6.538 6.357 871 HE1 HIS 115 1HE HIS 115 10.694 -4.925 9.190 872 HE2 HIS 115 2HE HIS 115 13.169 -5.127 8.462 873 H CYS 116 H CYS 116 9.688 -10.113 3.842 874 HA CYS 116 HA CYS 116 8.290 -11.470 5.971 875 1HB CYS 116 1HB CYS 116 7.605 -10.424 3.412 876 2HB CYS 116 2HB CYS 116 7.284 -12.146 3.381 877 H GLN 117 H GLN 117 9.910 -12.257 2.804 878 HA GLN 117 HA GLN 117 9.745 -14.979 3.050 879 1HB GLN 117 1HB GLN 117 10.435 -13.620 1.012 880 2HB GLN 117 2HB GLN 117 12.022 -13.439 1.733 881 1HG GLN 117 1HG GLN 117 12.640 -15.493 1.003 882 2HG GLN 117 2HG GLN 117 11.297 -16.236 1.849 883 1HE2 GLN 117 1HE2 GLN 117 12.555 -15.126 -1.146 884 2HE2 GLN 117 2HE2 GLN 117 11.264 -15.622 -2.187 885 H ASN 118 H ASN 118 11.602 -12.717 4.894 886 HA ASN 118 HA ASN 118 13.878 -14.130 5.422 887 1HB ASN 118 1HB ASN 118 13.192 -11.746 6.184 888 2HB ASN 118 2HB ASN 118 12.322 -12.511 7.499 889 1HD2 ASN 118 1HD2 ASN 118 15.227 -11.239 6.480 890 2HD2 ASN 118 2HD2 ASN 118 16.290 -11.852 7.702 891 H ARG 119 H ARG 119 10.951 -13.853 7.590 892 HA ARG 119 HA ARG 119 11.289 -16.666 8.200 893 1HB ARG 119 1HB ARG 119 12.214 -14.852 9.976 894 2HB ARG 119 2HB ARG 119 10.527 -14.794 10.446 895 1HG ARG 119 1HG ARG 119 10.889 -17.513 10.293 896 2HG ARG 119 2HG ARG 119 12.506 -17.015 10.747 897 1HD ARG 119 1HD ARG 119 11.332 -15.570 12.593 898 2HD ARG 119 2HD ARG 119 9.907 -16.533 12.257 899 HE ARG 119 HE ARG 119 11.943 -18.414 12.594 900 1HH1 ARG 119 2HH2 ARG 119 10.593 -15.814 14.543 901 2HH1 ARG 119 1HH2 ARG 119 10.959 -16.583 16.051 902 1HH2 ARG 119 2HH1 ARG 119 12.426 -19.429 14.584 903 2HH2 ARG 119 1HH1 ARG 119 12.009 -18.653 16.075 904 H ASP 120 H ASP 120 9.185 -16.568 10.298 905 HA ASP 120 HA ASP 120 6.953 -16.402 8.497 906 1HB ASP 120 1HB ASP 120 7.397 -18.349 10.107 907 2HB ASP 120 2HB ASP 120 7.003 -17.262 11.424 908 H LEU 121 H LEU 121 6.091 -14.308 8.345 909 HA LEU 121 HA LEU 121 6.044 -12.687 10.773 910 1HB LEU 121 1HB LEU 121 7.020 -11.914 8.536 911 2HB LEU 121 2HB LEU 121 5.363 -11.807 7.975 912 HG LEU 121 HG LEU 121 6.624 -9.713 8.954 913 1HD1 LEU 121 1HD1 LEU 121 3.943 -9.680 10.098 914 2HD1 LEU 121 2HD1 LEU 121 4.633 -8.735 8.756 915 3HD1 LEU 121 3HD1 LEU 121 3.975 -10.362 8.455 916 1HD2 LEU 121 1HD2 LEU 121 5.433 -10.859 11.491 917 2HD2 LEU 121 2HD2 LEU 121 7.170 -10.855 11.102 918 3HD2 LEU 121 3HD2 LEU 121 6.298 -9.316 11.297 919 H SER 122 H SER 122 4.258 -15.110 9.966 920 HA SER 122 HA SER 122 1.727 -13.928 9.534 921 1HB SER 122 1HB SER 122 2.536 -16.320 8.925 922 2HB SER 122 2HB SER 122 2.237 -16.727 10.603 923 HG SER 122 HG SER 122 0.449 -16.973 8.832 924 H GLN 123 H GLN 123 3.732 -14.790 12.320 925 HA GLN 123 HA GLN 123 1.709 -14.990 14.208 926 1HB GLN 123 1HB GLN 123 4.041 -15.753 14.574 927 2HB GLN 123 2HB GLN 123 4.607 -14.096 14.537 928 1HG GLN 123 1HG GLN 123 3.644 -13.566 16.617 929 2HG GLN 123 2HG GLN 123 2.411 -14.805 16.485 930 1HE2 GLN 123 1HE2 GLN 123 2.902 -15.557 18.545 931 2HE2 GLN 123 2HE2 GLN 123 4.292 -16.531 18.884 932 H TYR 124 H TYR 124 2.742 -12.314 12.346 933 HA TYR 124 HA TYR 124 2.353 -10.285 14.318 934 1HB TYR 124 1HB TYR 124 3.480 -10.610 11.763 935 2HB TYR 124 2HB TYR 124 1.996 -9.759 11.378 936 HD1 TYR 124 1HD TYR 124 2.177 -7.460 11.196 937 HD2 TYR 124 2HD TYR 124 4.725 -9.510 13.955 938 HE1 TYR 124 1HE TYR 124 3.284 -5.259 11.818 939 HE2 TYR 124 2HE TYR 124 5.825 -7.300 14.567 940 HH TYR 124 HH TYR 124 4.575 -4.483 14.126 941 H ILE 125 H ILE 125 0.327 -12.054 11.990 942 HA ILE 125 HA ILE 125 -1.854 -10.176 12.448 943 HB ILE 125 HB ILE 125 -2.995 -11.529 10.701 944 1HG1 ILE 125 1HG1 ILE 125 -0.361 -12.807 10.039 945 2HG1 ILE 125 2HG1 ILE 125 -1.392 -13.554 11.242 946 1HG2 ILE 125 1HG2 ILE 125 -0.988 -9.589 10.463 947 2HG2 ILE 125 2HG2 ILE 125 -0.620 -10.806 9.217 948 3HG2 ILE 125 3HG2 ILE 125 -2.221 -10.029 9.259 949 1HD1 ILE 125 1HD1 ILE 125 -3.263 -13.668 9.648 950 2HD1 ILE 125 2HD1 ILE 125 -2.306 -12.790 8.431 951 3HD1 ILE 125 3HD1 ILE 125 -1.819 -14.427 8.934 952 H ARG 126 H ARG 126 -0.747 -13.497 13.151 953 HA ARG 126 HA ARG 126 -3.234 -14.291 14.199 954 1HB ARG 126 1HB ARG 126 -1.445 -15.859 13.327 955 2HB ARG 126 2HB ARG 126 -0.452 -15.460 14.713 956 1HG ARG 126 1HG ARG 126 -1.526 -17.438 15.417 957 2HG ARG 126 2HG ARG 126 -2.516 -16.193 16.153 958 1HD ARG 126 1HD ARG 126 -3.365 -16.893 13.393 959 2HD ARG 126 2HD ARG 126 -3.462 -18.238 14.513 960 HE ARG 126 HE ARG 126 -4.597 -16.100 15.906 961 1HH1 ARG 126 2HH2 ARG 126 -5.222 -17.698 12.835 962 2HH1 ARG 126 1HH2 ARG 126 -6.919 -17.350 12.853 963 1HH2 ARG 126 2HH1 ARG 126 -6.835 -15.640 15.930 964 2HH2 ARG 126 1HH1 ARG 126 -7.842 -16.171 14.625 965 H ASN 127 H ASN 127 -4.086 -13.793 16.200 966 HA ASN 127 HA ASN 127 -4.165 -13.422 18.360 967 1HB ASN 127 1HB ASN 127 -1.871 -14.692 18.465 968 2HB ASN 127 2HB ASN 127 -1.134 -13.104 18.527 969 1HD2 ASN 127 1HD2 ASN 127 -3.031 -15.481 20.169 970 2HD2 ASN 127 2HD2 ASN 127 -3.073 -14.749 21.739 971 H CYS 128 H CYS 128 -3.827 -11.447 16.039 972 HA CYS 128 HA CYS 128 -2.560 -9.183 17.300 973 1HB CYS 128 1HB CYS 128 -2.734 -9.956 14.712 974 2HB CYS 128 2HB CYS 128 -4.081 -8.837 14.781 975 H GLY 129 H GLY 129 -5.745 -10.635 16.732 976 1HA GLY 129 1HA GLY 129 -7.510 -10.042 18.235 977 2HA GLY 129 2HA GLY 129 -6.977 -8.374 18.179 978 H VAL 130 H VAL 130 -7.203 -10.591 15.351 979 HA VAL 130 HA VAL 130 -8.980 -8.670 14.098 980 HB VAL 130 HB VAL 130 -7.333 -11.012 13.176 981 1HG1 VAL 130 1HG1 VAL 130 -9.308 -9.477 11.454 982 2HG1 VAL 130 2HG1 VAL 130 -8.220 -10.786 10.932 983 3HG1 VAL 130 3HG1 VAL 130 -9.555 -11.133 12.058 984 1HG2 VAL 130 1HG2 VAL 130 -7.402 -8.098 12.321 985 2HG2 VAL 130 2HG2 VAL 130 -6.236 -8.815 13.459 986 3HG2 VAL 130 3HG2 VAL 130 -6.259 -9.341 11.759 Start of MODEL 19 1 H LYS 1 H LYS 1 -1.753 8.764 7.515 2 HA LYS 1 HA LYS 1 -3.280 9.745 9.813 3 1HB LYS 1 1HB LYS 1 -4.379 8.476 7.502 4 2HB LYS 1 2HB LYS 1 -4.483 7.339 8.831 5 1HG LYS 1 1HG LYS 1 -6.448 8.555 9.164 6 2HG LYS 1 2HG LYS 1 -5.350 9.441 10.205 7 1HD LYS 1 1HD LYS 1 -5.024 10.590 7.623 8 2HD LYS 1 2HD LYS 1 -6.750 10.353 7.805 9 1HE LYS 1 1HE LYS 1 -6.806 12.233 9.074 10 2HE LYS 1 2HE LYS 1 -5.927 11.359 10.314 11 1HZ LYS 1 1HZ LYS 1 -4.915 13.207 8.328 12 2HZ LYS 1 2HZ LYS 1 -4.513 13.052 9.902 13 3HZ LYS 1 3HZ LYS 1 -3.925 11.998 8.802 14 H VAL 2 H VAL 2 -3.953 7.205 10.859 15 HA VAL 2 HA VAL 2 -1.260 6.154 11.388 16 HB VAL 2 HB VAL 2 -3.705 6.410 13.144 17 1HG1 VAL 2 1HG1 VAL 2 -1.373 5.467 14.553 18 2HG1 VAL 2 2HG1 VAL 2 -2.995 4.741 14.443 19 3HG1 VAL 2 3HG1 VAL 2 -1.761 4.355 13.218 20 1HG2 VAL 2 1HG2 VAL 2 -2.304 8.443 12.853 21 2HG2 VAL 2 2HG2 VAL 2 -2.304 7.829 14.525 22 3HG2 VAL 2 3HG2 VAL 2 -0.903 7.533 13.468 23 H TYR 3 H TYR 3 -0.999 4.359 10.137 24 HA TYR 3 HA TYR 3 -3.308 2.564 9.894 25 1HB TYR 3 1HB TYR 3 -0.705 3.133 8.371 26 2HB TYR 3 2HB TYR 3 -1.599 1.658 8.058 27 HD1 TYR 3 1HD TYR 3 -3.736 4.416 8.915 28 HD2 TYR 3 2HD TYR 3 -1.611 2.610 5.671 29 HE1 TYR 3 1HE TYR 3 -5.205 5.657 7.254 30 HE2 TYR 3 2HE TYR 3 -3.087 3.857 4.020 31 HH TYR 3 HH TYR 3 -5.922 5.524 5.039 32 H GLU 4 H GLU 4 -3.249 1.199 11.664 33 HA GLU 4 HA GLU 4 -0.671 0.116 12.392 34 1HB GLU 4 1HB GLU 4 -1.547 -0.221 14.487 35 2HB GLU 4 2HB GLU 4 -2.688 1.001 13.961 36 1HG GLU 4 1HG GLU 4 -3.932 -1.204 12.953 37 2HG GLU 4 2HG GLU 4 -3.082 -1.957 14.288 38 H ARG 5 H ARG 5 -0.350 -2.236 12.626 39 HA ARG 5 HA ARG 5 -0.956 -3.635 10.436 40 1HB ARG 5 1HB ARG 5 -0.588 -5.721 11.944 41 2HB ARG 5 2HB ARG 5 0.699 -4.532 11.906 42 1HG ARG 5 1HG ARG 5 -0.807 -3.519 13.960 43 2HG ARG 5 2HG ARG 5 -1.186 -5.222 14.126 44 1HD ARG 5 1HD ARG 5 1.259 -5.762 14.195 45 2HD ARG 5 2HD ARG 5 1.641 -4.060 14.024 46 HE ARG 5 HE ARG 5 0.771 -5.396 16.453 47 1HH1 ARG 5 2HH2 ARG 5 0.706 -2.315 14.756 48 2HH1 ARG 5 1HH2 ARG 5 0.520 -1.378 16.201 49 1HH2 ARG 5 2HH1 ARG 5 0.526 -4.161 18.360 50 2HH2 ARG 5 1HH1 ARG 5 0.417 -2.435 18.264 51 H CYS 6 H CYS 6 -2.661 -3.965 13.644 52 HA CYS 6 HA CYS 6 -4.552 -5.760 12.960 53 1HB CYS 6 1HB CYS 6 -4.190 -3.783 15.016 54 2HB CYS 6 2HB CYS 6 -5.877 -3.822 14.542 55 H GLU 7 H GLU 7 -5.443 -2.252 13.199 56 HA GLU 7 HA GLU 7 -7.668 -2.202 11.852 57 1HB GLU 7 1HB GLU 7 -5.481 -0.301 12.251 58 2HB GLU 7 2HB GLU 7 -6.306 0.016 10.738 59 1HG GLU 7 1HG GLU 7 -8.452 -0.449 12.426 60 2HG GLU 7 2HG GLU 7 -7.306 0.284 13.531 61 H PHE 8 H PHE 8 -4.536 -1.649 10.071 62 HA PHE 8 HA PHE 8 -5.479 -1.722 7.546 63 1HB PHE 8 1HB PHE 8 -3.079 -1.442 8.558 64 2HB PHE 8 2HB PHE 8 -2.977 -3.192 8.556 65 HD1 PHE 8 1HD PHE 8 -2.826 -4.428 6.450 66 HD2 PHE 8 2HD PHE 8 -2.956 -0.187 6.493 67 HE1 PHE 8 1HE PHE 8 -2.016 -4.380 4.075 68 HE2 PHE 8 2HE PHE 8 -2.146 -0.138 4.117 69 HZ PHE 8 HZ PHE 8 -1.686 -2.235 2.937 70 H ALA 9 H ALA 9 -4.399 -4.603 9.483 71 HA ALA 9 HA ALA 9 -4.891 -6.502 7.536 72 1HB ALA 9 1HB ALA 9 -5.378 -7.022 10.470 73 2HB ALA 9 2HB ALA 9 -4.572 -8.050 9.261 74 3HB ALA 9 3HB ALA 9 -3.745 -6.606 9.894 75 H ARG 10 H ARG 10 -7.060 -5.300 10.192 76 HA ARG 10 HA ARG 10 -9.183 -6.877 9.665 77 1HB ARG 10 1HB ARG 10 -8.772 -4.984 11.471 78 2HB ARG 10 2HB ARG 10 -9.572 -3.933 10.319 79 1HG ARG 10 1HG ARG 10 -11.354 -4.692 11.679 80 2HG ARG 10 2HG ARG 10 -11.468 -5.722 10.265 81 1HD ARG 10 1HD ARG 10 -10.290 -7.545 11.425 82 2HD ARG 10 2HD ARG 10 -9.962 -6.514 12.803 83 HE ARG 10 HE ARG 10 -12.442 -7.909 12.257 84 1HH1 ARG 10 2HH2 ARG 10 -11.149 -4.974 13.705 85 2HH1 ARG 10 1HH2 ARG 10 -12.490 -4.761 14.780 86 1HH2 ARG 10 2HH1 ARG 10 -14.211 -7.629 13.675 87 2HH2 ARG 10 1HH1 ARG 10 -14.244 -6.283 14.763 88 H THR 11 H THR 11 -8.797 -3.447 8.477 89 HA THR 11 HA THR 11 -10.926 -3.360 6.775 90 HB THR 11 HB THR 11 -8.127 -2.132 6.608 91 HG1 THR 11 1HG THR 11 -9.615 -0.333 7.429 92 1HG2 THR 11 1HG2 THR 11 -10.256 -0.515 5.470 93 2HG2 THR 11 2HG2 THR 11 -8.743 -1.046 4.696 94 3HG2 THR 11 3HG2 THR 11 -10.195 -2.072 4.610 95 H LEU 12 H LEU 12 -7.585 -4.493 5.939 96 HA LEU 12 HA LEU 12 -8.030 -5.061 3.311 97 1HB LEU 12 1HB LEU 12 -6.067 -5.575 5.268 98 2HB LEU 12 2HB LEU 12 -6.428 -7.121 4.527 99 HG LEU 12 HG LEU 12 -6.187 -5.304 2.384 100 1HD1 LEU 12 1HD1 LEU 12 -4.251 -4.726 4.600 101 2HD1 LEU 12 2HD1 LEU 12 -3.714 -4.625 2.906 102 3HD1 LEU 12 3HD1 LEU 12 -5.065 -3.614 3.473 103 1HD2 LEU 12 1HD2 LEU 12 -4.361 -7.454 3.476 104 2HD2 LEU 12 2HD2 LEU 12 -5.582 -7.598 2.190 105 3HD2 LEU 12 3HD2 LEU 12 -4.109 -6.637 1.915 106 H LYS 13 H LYS 13 -8.395 -7.407 6.070 107 HA LYS 13 HA LYS 13 -9.544 -9.402 4.505 108 1HB LYS 13 1HB LYS 13 -8.585 -9.269 7.016 109 2HB LYS 13 2HB LYS 13 -10.297 -9.184 7.379 110 1HG LYS 13 1HG LYS 13 -9.496 -11.248 5.360 111 2HG LYS 13 2HG LYS 13 -8.947 -11.534 6.999 112 1HD LYS 13 1HD LYS 13 -11.841 -10.778 6.485 113 2HD LYS 13 2HD LYS 13 -11.314 -12.432 6.245 114 1HE LYS 13 1HE LYS 13 -10.949 -12.803 8.511 115 2HE LYS 13 2HE LYS 13 -10.464 -11.148 8.819 116 1HZ LYS 13 1HZ LYS 13 -12.996 -12.295 9.094 117 2HZ LYS 13 2HZ LYS 13 -12.500 -10.804 9.538 118 3HZ LYS 13 3HZ LYS 13 -13.093 -11.053 8.037 119 H ARG 14 H ARG 14 -10.822 -6.396 5.795 120 HA ARG 14 HA ARG 14 -13.520 -7.292 5.574 121 1HB ARG 14 1HB ARG 14 -12.662 -5.553 7.257 122 2HB ARG 14 2HB ARG 14 -12.487 -4.435 5.920 123 1HG ARG 14 1HG ARG 14 -15.119 -5.563 5.714 124 2HG ARG 14 2HG ARG 14 -14.886 -5.132 7.397 125 1HD ARG 14 1HD ARG 14 -13.994 -2.845 6.503 126 2HD ARG 14 2HD ARG 14 -14.683 -3.315 4.961 127 HE ARG 14 HE ARG 14 -16.623 -3.668 7.078 128 1HH1 ARG 14 2HH2 ARG 14 -15.085 -1.193 5.106 129 2HH1 ARG 14 1HH2 ARG 14 -16.408 -0.083 5.238 130 1HH2 ARG 14 2HH1 ARG 14 -18.370 -2.205 7.253 131 2HH2 ARG 14 1HH1 ARG 14 -18.290 -0.663 6.468 132 H ASN 15 H ASN 15 -11.057 -5.924 3.524 133 HA ASN 15 HA ASN 15 -12.949 -4.717 1.741 134 1HB ASN 15 1HB ASN 15 -10.302 -4.194 2.314 135 2HB ASN 15 2HB ASN 15 -10.113 -5.170 0.870 136 1HD2 ASN 15 1HD2 ASN 15 -9.211 -2.922 0.345 137 2HD2 ASN 15 2HD2 ASN 15 -10.279 -1.827 -0.470 138 H GLY 16 H GLY 16 -10.709 -7.546 1.973 139 1HA GLY 16 1HA GLY 16 -11.523 -9.631 1.032 140 2HA GLY 16 2HA GLY 16 -12.071 -8.734 -0.370 141 H MET 17 H MET 17 -8.987 -8.080 1.340 142 HA MET 17 HA MET 17 -7.633 -9.080 -1.046 143 1HB MET 17 1HB MET 17 -7.264 -6.629 0.696 144 2HB MET 17 2HB MET 17 -5.826 -7.326 -0.025 145 1HG MET 17 1HG MET 17 -8.321 -6.475 -1.575 146 2HG MET 17 2HG MET 17 -6.842 -5.543 -1.467 147 1HE MET 17 1HE MET 17 -7.823 -7.246 -4.818 148 2HE MET 17 2HE MET 17 -8.245 -8.736 -3.939 149 3HE MET 17 3HE MET 17 -8.848 -7.163 -3.365 150 H ALA 18 H ALA 18 -7.661 -8.822 2.524 151 HA ALA 18 HA ALA 18 -5.204 -9.893 3.114 152 1HB ALA 18 1HB ALA 18 -6.029 -9.726 5.203 153 2HB ALA 18 2HB ALA 18 -7.550 -9.169 4.465 154 3HB ALA 18 3HB ALA 18 -7.329 -10.892 4.854 155 H GLY 19 H GLY 19 -4.280 -11.700 2.284 156 1HA GLY 19 1HA GLY 19 -4.024 -13.965 2.076 157 2HA GLY 19 2HA GLY 19 -5.703 -14.216 2.508 158 H TYR 20 H TYR 20 -4.567 -11.924 -0.015 159 HA TYR 20 HA TYR 20 -6.394 -12.725 -1.909 160 1HB TYR 20 1HB TYR 20 -4.624 -10.725 -1.629 161 2HB TYR 20 2HB TYR 20 -3.537 -11.788 -2.499 162 HD1 TYR 20 1HD TYR 20 -3.240 -10.690 -4.557 163 HD2 TYR 20 2HD TYR 20 -7.201 -11.299 -3.059 164 HE1 TYR 20 1HE TYR 20 -4.208 -9.868 -6.759 165 HE2 TYR 20 2HE TYR 20 -8.155 -10.475 -5.266 166 HH TYR 20 HH TYR 20 -6.526 -10.356 -8.000 167 H TYR 21 H TYR 21 -5.198 -13.296 -4.307 168 HA TYR 21 HA TYR 21 -5.124 -15.933 -4.531 169 1HB TYR 21 1HB TYR 21 -3.990 -13.553 -5.866 170 2HB TYR 21 2HB TYR 21 -2.934 -14.929 -6.117 171 HD1 TYR 21 1HD TYR 21 -6.415 -13.710 -6.593 172 HD2 TYR 21 2HD TYR 21 -3.498 -16.652 -7.661 173 HE1 TYR 21 1HE TYR 21 -7.922 -14.535 -8.468 174 HE2 TYR 21 2HE TYR 21 -5.014 -17.466 -9.531 175 HH TYR 21 HH TYR 21 -8.205 -16.777 -9.694 176 H GLY 22 H GLY 22 -2.508 -13.930 -3.164 177 1HA GLY 22 1HA GLY 22 -1.238 -16.338 -2.145 178 2HA GLY 22 2HA GLY 22 -0.285 -15.401 -3.278 179 H VAL 23 H VAL 23 -0.463 -12.837 -2.784 180 HA VAL 23 HA VAL 23 0.900 -12.397 -0.445 181 HB VAL 23 HB VAL 23 0.185 -9.991 -0.829 182 1HG1 VAL 23 1HG1 VAL 23 2.056 -9.938 -2.038 183 2HG1 VAL 23 2HG1 VAL 23 1.941 -11.699 -2.270 184 3HG1 VAL 23 3HG1 VAL 23 1.192 -10.596 -3.449 185 1HG2 VAL 23 1HG2 VAL 23 -1.660 -11.368 -2.643 186 2HG2 VAL 23 2HG2 VAL 23 -1.711 -9.710 -1.995 187 3HG2 VAL 23 3HG2 VAL 23 -0.734 -10.072 -3.439 188 H SER 24 H SER 24 0.208 -12.931 1.570 189 HA SER 24 HA SER 24 -2.593 -12.617 2.150 190 1HB SER 24 1HB SER 24 -0.250 -13.939 3.539 191 2HB SER 24 2HB SER 24 -1.711 -13.598 4.444 192 HG SER 24 HG SER 24 -1.242 -15.683 2.815 193 H LEU 25 H LEU 25 -3.055 -11.719 4.522 194 HA LEU 25 HA LEU 25 -2.485 -9.044 4.548 195 1HB LEU 25 1HB LEU 25 -2.964 -9.509 7.157 196 2HB LEU 25 2HB LEU 25 -4.199 -9.387 5.919 197 HG LEU 25 HG LEU 25 -3.029 -12.087 6.440 198 1HD1 LEU 25 1HD1 LEU 25 -3.404 -11.063 8.694 199 2HD1 LEU 25 2HD1 LEU 25 -5.125 -10.895 8.271 200 3HD1 LEU 25 3HD1 LEU 25 -4.385 -12.511 8.362 201 1HD2 LEU 25 1HD2 LEU 25 -5.946 -11.500 6.154 202 2HD2 LEU 25 2HD2 LEU 25 -4.894 -11.318 4.730 203 3HD2 LEU 25 3HD2 LEU 25 -4.988 -12.883 5.572 204 H ALA 26 H ALA 26 -0.542 -11.780 5.684 205 HA ALA 26 HA ALA 26 1.163 -10.344 7.382 206 1HB ALA 26 1HB ALA 26 2.581 -12.484 6.155 207 2HB ALA 26 2HB ALA 26 1.769 -12.476 7.739 208 3HB ALA 26 3HB ALA 26 0.883 -13.001 6.288 209 H ASP 27 H ASP 27 1.457 -11.288 3.885 210 HA ASP 27 HA ASP 27 3.886 -10.010 3.530 211 1HB ASP 27 1HB ASP 27 1.895 -10.150 1.273 212 2HB ASP 27 2HB ASP 27 3.607 -10.518 1.254 213 H TRP 28 H TRP 28 0.462 -8.960 3.366 214 HA TRP 28 HA TRP 28 0.935 -6.502 2.057 215 1HB TRP 28 1HB TRP 28 -1.336 -7.587 3.714 216 2HB TRP 28 2HB TRP 28 -1.348 -5.957 3.072 217 HD1 TRP 28 HD TRP 28 -2.239 -9.437 2.081 218 HE1 TRP 28 1HE TRP 28 -2.894 -9.655 -0.465 219 HE3 TRP 28 3HE TRP 28 -0.500 -4.862 0.701 220 HZ2 TRP 28 2HZ TRP 28 -2.617 -7.929 -2.721 221 HZ3 TRP 28 3HZ TRP 28 -0.731 -4.206 -1.693 222 HH2 TRP 28 HH TRP 28 -1.746 -5.655 -3.379 223 H VAL 29 H VAL 29 0.173 -7.314 5.528 224 HA VAL 29 HA VAL 29 0.684 -4.793 6.533 225 HB VAL 29 HB VAL 29 1.013 -7.510 7.822 226 1HG1 VAL 29 1HG1 VAL 29 1.021 -6.498 9.920 227 2HG1 VAL 29 2HG1 VAL 29 2.050 -5.410 8.960 228 3HG1 VAL 29 3HG1 VAL 29 0.361 -4.965 9.300 229 1HG2 VAL 29 1HG2 VAL 29 -1.212 -7.675 7.860 230 2HG2 VAL 29 2HG2 VAL 29 -1.373 -6.046 8.561 231 3HG2 VAL 29 3HG2 VAL 29 -1.290 -6.252 6.794 232 H CYS 30 H CYS 30 2.898 -7.674 6.381 233 HA CYS 30 HA CYS 30 5.101 -6.516 7.465 234 1HB CYS 30 1HB CYS 30 4.792 -8.908 6.772 235 2HB CYS 30 2HB CYS 30 5.133 -8.426 5.121 236 H LEU 31 H LEU 31 4.165 -6.648 3.946 237 HA LEU 31 HA LEU 31 6.220 -5.183 2.918 238 1HB LEU 31 1HB LEU 31 4.595 -6.355 1.577 239 2HB LEU 31 2HB LEU 31 3.314 -5.279 2.102 240 HG LEU 31 HG LEU 31 5.713 -4.463 0.437 241 1HD1 LEU 31 1HD1 LEU 31 3.049 -5.521 -0.265 242 2HD1 LEU 31 2HD1 LEU 31 3.544 -4.056 -1.147 243 3HD1 LEU 31 3HD1 LEU 31 4.570 -5.511 -1.189 244 1HD2 LEU 31 1HD2 LEU 31 5.212 -2.458 1.360 245 2HD2 LEU 31 2HD2 LEU 31 3.958 -2.459 0.096 246 3HD2 LEU 31 3HD2 LEU 31 3.543 -2.930 1.762 247 H ALA 32 H ALA 32 3.144 -3.984 4.394 248 HA ALA 32 HA ALA 32 3.717 -1.269 3.930 249 1HB ALA 32 1HB ALA 32 2.006 -2.418 6.160 250 2HB ALA 32 2HB ALA 32 1.811 -0.868 5.307 251 3HB ALA 32 3HB ALA 32 1.478 -2.399 4.461 252 H GLN 33 H GLN 33 4.714 -3.630 6.383 253 HA GLN 33 HA GLN 33 5.485 -1.743 8.299 254 1HB GLN 33 1HB GLN 33 5.092 -4.324 8.506 255 2HB GLN 33 2HB GLN 33 6.757 -4.480 7.983 256 1HG GLN 33 1HG GLN 33 6.549 -2.441 10.067 257 2HG GLN 33 2HG GLN 33 5.818 -3.937 10.615 258 1HE2 GLN 33 1HE2 GLN 33 7.069 -5.467 11.384 259 2HE2 GLN 33 2HE2 GLN 33 8.788 -5.597 11.206 260 H HIS 34 H HIS 34 7.337 -3.607 5.791 261 HA HIS 34 HA HIS 34 9.806 -2.495 6.387 262 1HB HIS 34 1HB HIS 34 9.119 -4.516 4.897 263 2HB HIS 34 2HB HIS 34 8.994 -3.333 3.610 264 HD1 HIS 34 1HD HIS 34 11.616 -1.823 5.243 265 HD2 HIS 34 2HD HIS 34 11.343 -5.514 3.269 266 HE1 HIS 34 1HE HIS 34 14.000 -2.471 4.607 267 HE2 HIS 34 2HE HIS 34 13.774 -4.773 3.446 268 H GLU 35 H GLU 35 6.990 -1.202 4.723 269 HA GLU 35 HA GLU 35 8.480 0.811 3.373 270 1HB GLU 35 1HB GLU 35 5.504 0.339 3.809 271 2HB GLU 35 2HB GLU 35 6.111 1.737 2.943 272 1HG GLU 35 1HG GLU 35 7.114 -0.995 2.133 273 2HG GLU 35 2HG GLU 35 5.494 -0.531 1.656 274 H SER 36 H SER 36 5.987 0.855 6.032 275 HA SER 36 HA SER 36 7.499 2.526 7.638 276 1HB SER 36 1HB SER 36 6.993 4.218 5.869 277 2HB SER 36 2HB SER 36 5.278 3.959 6.114 278 HG SER 36 HG SER 36 6.487 4.475 8.529 279 H ASN 37 H ASN 37 4.105 1.873 6.520 280 HA ASN 37 HA ASN 37 2.278 1.400 7.601 281 1HB ASN 37 1HB ASN 37 3.933 -0.629 8.101 282 2HB ASN 37 2HB ASN 37 3.893 -0.026 9.746 283 1HD2 ASN 37 1HD2 ASN 37 2.326 -0.653 11.032 284 2HD2 ASN 37 2HD2 ASN 37 0.840 -1.411 10.569 285 H TYR 38 H TYR 38 1.452 1.095 10.246 286 HA TYR 38 HA TYR 38 0.959 2.189 12.109 287 1HB TYR 38 1HB TYR 38 3.881 2.712 11.570 288 2HB TYR 38 2HB TYR 38 3.145 3.833 12.698 289 HD1 TYR 38 1HD TYR 38 1.713 2.679 14.636 290 HD2 TYR 38 2HD TYR 38 4.811 0.750 12.402 291 HE1 TYR 38 1HE TYR 38 2.018 0.986 16.508 292 HE2 TYR 38 2HE TYR 38 5.105 -0.937 14.281 293 HH TYR 38 HH TYR 38 2.857 -1.106 16.920 294 H ASN 39 H ASN 39 2.972 4.491 10.130 295 HA ASN 39 HA ASN 39 0.730 6.340 10.389 296 1HB ASN 39 1HB ASN 39 3.704 7.038 10.134 297 2HB ASN 39 2HB ASN 39 2.399 8.194 10.310 298 1HD2 ASN 39 1HD2 ASN 39 2.291 9.015 12.242 299 2HD2 ASN 39 2HD2 ASN 39 2.572 8.212 13.751 300 H THR 40 H THR 40 0.179 7.506 8.429 301 HA THR 40 HA THR 40 1.438 6.401 6.016 302 HB THR 40 HB THR 40 -0.687 6.564 5.039 303 HG1 THR 40 1HG THR 40 -0.960 8.833 5.293 304 1HG2 THR 40 1HG2 THR 40 -2.234 5.643 6.509 305 2HG2 THR 40 2HG2 THR 40 -0.803 5.487 7.556 306 3HG2 THR 40 3HG2 THR 40 -1.911 6.865 7.763 307 H ARG 41 H ARG 41 2.328 8.723 7.912 308 HA ARG 41 HA ARG 41 1.971 11.071 6.528 309 1HB ARG 41 1HB ARG 41 2.933 10.728 8.887 310 2HB ARG 41 2HB ARG 41 4.455 10.293 8.134 311 1HG ARG 41 1HG ARG 41 4.991 12.483 7.921 312 2HG ARG 41 2HG ARG 41 3.588 12.739 6.903 313 1HD ARG 41 1HD ARG 41 3.278 12.628 9.924 314 2HD ARG 41 2HD ARG 41 3.811 14.106 9.148 315 HE ARG 41 HE ARG 41 1.576 13.377 7.672 316 1HH1 ARG 41 2HH2 ARG 41 2.188 13.924 11.094 317 2HH1 ARG 41 1HH2 ARG 41 0.572 14.446 11.430 318 1HH2 ARG 41 2HH1 ARG 41 -0.557 14.066 8.115 319 2HH2 ARG 41 1HH1 ARG 41 -1.000 14.528 9.725 320 H ALA 42 H ALA 42 3.732 8.235 5.678 321 HA ALA 42 HA ALA 42 6.004 9.091 4.462 322 1HB ALA 42 1HB ALA 42 5.524 6.763 4.581 323 2HB ALA 42 2HB ALA 42 3.977 6.958 3.721 324 3HB ALA 42 3HB ALA 42 5.514 7.154 2.844 325 H THR 43 H THR 43 5.998 11.101 3.452 326 HA THR 43 HA THR 43 4.577 11.169 0.904 327 HB THR 43 HB THR 43 3.920 13.599 1.531 328 HG1 THR 43 1HG THR 43 4.358 14.116 3.663 329 1HG2 THR 43 1HG2 THR 43 2.497 12.028 3.584 330 2HG2 THR 43 2HG2 THR 43 1.848 12.817 2.127 331 3HG2 THR 43 3HG2 THR 43 2.551 11.187 2.017 332 H ASN 44 H ASN 44 5.764 12.003 -0.734 333 HA ASN 44 HA ASN 44 7.981 13.695 -0.040 334 1HB ASN 44 1HB ASN 44 8.401 10.928 -0.427 335 2HB ASN 44 2HB ASN 44 8.810 11.624 -1.983 336 1HD2 ASN 44 1HD2 ASN 44 10.385 13.299 -2.097 337 2HD2 ASN 44 2HD2 ASN 44 11.648 13.429 -0.917 338 H TYR 45 H TYR 45 7.085 15.381 -1.331 339 HA TYR 45 HA TYR 45 6.137 14.733 -3.995 340 1HB TYR 45 1HB TYR 45 5.197 16.948 -3.808 341 2HB TYR 45 2HB TYR 45 5.169 16.380 -2.151 342 HD1 TYR 45 1HD TYR 45 6.674 18.743 -4.500 343 HD2 TYR 45 2HD TYR 45 6.797 17.240 -0.495 344 HE1 TYR 45 1HE TYR 45 8.048 20.758 -3.778 345 HE2 TYR 45 2HE TYR 45 8.169 19.259 0.213 346 HH TYR 45 HH TYR 45 9.869 20.951 -1.445 347 H ASN 46 H ASN 46 6.884 15.986 -5.898 348 HA ASN 46 HA ASN 46 9.364 17.341 -5.657 349 1HB ASN 46 1HB ASN 46 9.217 14.613 -7.035 350 2HB ASN 46 2HB ASN 46 10.500 15.761 -7.362 351 1HD2 ASN 46 1HD2 ASN 46 9.893 13.071 -5.769 352 2HD2 ASN 46 2HD2 ASN 46 10.891 13.223 -4.362 353 H ARG 47 H ARG 47 8.637 19.083 -6.922 354 HA ARG 47 HA ARG 47 6.860 18.647 -9.063 355 1HB ARG 47 1HB ARG 47 7.362 20.784 -7.476 356 2HB ARG 47 2HB ARG 47 8.414 21.223 -8.806 357 1HG ARG 47 1HG ARG 47 6.638 21.916 -10.032 358 2HG ARG 47 2HG ARG 47 5.906 20.327 -9.924 359 1HD ARG 47 1HD ARG 47 4.822 20.894 -7.798 360 2HD ARG 47 2HD ARG 47 5.698 22.409 -7.698 361 HE ARG 47 HE ARG 47 4.414 22.677 -10.104 362 1HH1 ARG 47 2HH2 ARG 47 3.266 21.720 -6.919 363 2HH1 ARG 47 1HH2 ARG 47 1.667 22.335 -7.169 364 1HH2 ARG 47 2HH1 ARG 47 2.303 23.489 -10.436 365 2HH2 ARG 47 1HH1 ARG 47 1.115 23.348 -9.183 366 H GLY 48 H GLY 48 10.374 18.989 -8.651 367 1HA GLY 48 1HA GLY 48 11.431 19.836 -10.923 368 2HA GLY 48 2HA GLY 48 12.003 18.380 -10.130 369 H ASP 49 H ASP 49 9.584 16.764 -10.564 370 HA ASP 49 HA ASP 49 9.455 16.687 -13.456 371 1HB ASP 49 1HB ASP 49 11.068 14.932 -11.986 372 2HB ASP 49 2HB ASP 49 9.592 14.011 -12.195 373 H GLN 50 H GLN 50 7.592 17.571 -11.330 374 HA GLN 50 HA GLN 50 5.655 17.108 -10.360 375 1HB GLN 50 1HB GLN 50 5.318 17.703 -12.901 376 2HB GLN 50 2HB GLN 50 4.805 16.035 -13.065 377 1HG GLN 50 1HG GLN 50 2.839 17.439 -12.654 378 2HG GLN 50 2HG GLN 50 3.090 16.389 -11.274 379 1HE2 GLN 50 1HE2 GLN 50 3.518 17.207 -9.312 380 2HE2 GLN 50 2HE2 GLN 50 3.622 18.893 -8.929 381 H SER 51 H SER 51 6.943 15.183 -9.252 382 HA SER 51 HA SER 51 5.248 12.868 -9.637 383 1HB SER 51 1HB SER 51 7.113 11.311 -9.610 384 2HB SER 51 2HB SER 51 7.379 12.464 -10.902 385 HG SER 51 HG SER 51 9.178 13.122 -9.950 386 H THR 52 H THR 52 4.262 12.624 -7.667 387 HA THR 52 HA THR 52 5.869 13.250 -5.279 388 HB THR 52 HB THR 52 2.832 13.232 -5.690 389 HG1 THR 52 1HG THR 52 4.987 15.217 -5.643 390 1HG2 THR 52 1HG2 THR 52 4.134 13.063 -3.283 391 2HG2 THR 52 2HG2 THR 52 4.212 14.822 -3.551 392 3HG2 THR 52 3HG2 THR 52 2.635 13.998 -3.505 393 H ASP 53 H ASP 53 6.358 11.696 -3.845 394 HA ASP 53 HA ASP 53 5.085 9.123 -4.351 395 1HB ASP 53 1HB ASP 53 7.701 9.574 -2.861 396 2HB ASP 53 2HB ASP 53 7.101 8.070 -3.529 397 H TYR 54 H TYR 54 3.557 8.676 -2.755 398 HA TYR 54 HA TYR 54 4.304 9.059 0.012 399 1HB TYR 54 1HB TYR 54 2.018 10.277 0.302 400 2HB TYR 54 2HB TYR 54 3.264 11.219 -0.493 401 HD1 TYR 54 1HD TYR 54 0.710 8.674 -1.571 402 HD2 TYR 54 2HD TYR 54 2.498 12.499 -2.257 403 HE1 TYR 54 1HE TYR 54 -0.831 9.045 -3.559 404 HE2 TYR 54 2HE TYR 54 0.952 12.858 -4.244 405 HH TYR 54 HH TYR 54 -1.684 10.677 -4.891 406 H GLY 55 H GLY 55 2.456 8.191 1.478 407 1HA GLY 55 1HA GLY 55 0.473 6.810 1.519 408 2HA GLY 55 2HA GLY 55 1.051 5.996 0.078 409 H ILE 56 H ILE 56 0.356 4.805 2.703 410 HA ILE 56 HA ILE 56 2.560 4.247 4.261 411 HB ILE 56 HB ILE 56 0.344 3.756 4.982 412 1HG1 ILE 56 1HG1 ILE 56 1.884 1.165 4.649 413 2HG1 ILE 56 2HG1 ILE 56 2.200 2.376 5.875 414 1HG2 ILE 56 1HG2 ILE 56 -0.316 1.376 3.545 415 2HG2 ILE 56 2HG2 ILE 56 -1.210 2.912 3.649 416 3HG2 ILE 56 3HG2 ILE 56 0.012 2.679 2.376 417 1HD1 ILE 56 1HD1 ILE 56 0.755 0.481 6.691 418 2HD1 ILE 56 2HD1 ILE 56 -0.025 2.073 6.848 419 3HD1 ILE 56 3HD1 ILE 56 -0.492 0.981 5.523 420 H PHE 57 H PHE 57 1.560 2.964 1.094 421 HA PHE 57 HA PHE 57 3.693 0.987 1.220 422 1HB PHE 57 1HB PHE 57 1.297 1.663 -0.547 423 2HB PHE 57 2HB PHE 57 2.557 0.637 -1.201 424 HD1 PHE 57 1HD PHE 57 1.062 0.766 2.216 425 HD2 PHE 57 2HD PHE 57 1.697 -1.506 -1.312 426 HE1 PHE 57 1HE PHE 57 0.006 -1.230 3.311 427 HE2 PHE 57 2HE PHE 57 0.642 -3.502 -0.216 428 HZ PHE 57 HZ PHE 57 -0.192 -3.341 2.082 429 H GLN 58 H GLN 58 3.741 4.176 0.789 430 HA GLN 58 HA GLN 58 4.811 5.625 -0.444 431 1HB GLN 58 1HB GLN 58 6.656 4.204 0.661 432 2HB GLN 58 2HB GLN 58 6.879 3.438 -0.899 433 1HG GLN 58 1HG GLN 58 8.312 5.146 -1.366 434 2HG GLN 58 2HG GLN 58 6.881 6.134 -1.585 435 1HE2 GLN 58 1HE2 GLN 58 7.679 8.022 -0.856 436 2HE2 GLN 58 2HE2 GLN 58 8.158 8.338 0.779 437 H ILE 59 H ILE 59 3.262 5.784 -2.182 438 HA ILE 59 HA ILE 59 4.096 4.340 -4.602 439 HB ILE 59 HB ILE 59 1.389 5.209 -3.620 440 1HG1 ILE 59 1HG1 ILE 59 2.194 2.523 -4.727 441 2HG1 ILE 59 2HG1 ILE 59 2.505 2.938 -3.054 442 1HG2 ILE 59 1HG2 ILE 59 0.447 4.643 -5.780 443 2HG2 ILE 59 2HG2 ILE 59 1.641 5.952 -5.959 444 3HG2 ILE 59 3HG2 ILE 59 2.067 4.288 -6.426 445 1HD1 ILE 59 1HD1 ILE 59 -0.010 2.176 -4.319 446 2HD1 ILE 59 2HD1 ILE 59 0.376 2.326 -2.588 447 3HD1 ILE 59 3HD1 ILE 59 -0.169 3.751 -3.505 448 H ASN 60 H ASN 60 4.202 5.525 -6.583 449 HA ASN 60 HA ASN 60 4.800 8.292 -6.088 450 1HB ASN 60 1HB ASN 60 5.530 6.234 -8.089 451 2HB ASN 60 2HB ASN 60 5.166 7.776 -8.838 452 1HD2 ASN 60 1HD2 ASN 60 6.760 9.142 -9.024 453 2HD2 ASN 60 2HD2 ASN 60 8.194 9.228 -8.055 454 H SER 61 H SER 61 3.620 10.036 -7.068 455 HA SER 61 HA SER 61 1.041 9.250 -8.086 456 1HB SER 61 1HB SER 61 0.761 10.921 -6.475 457 2HB SER 61 2HB SER 61 2.231 11.761 -6.928 458 HG SER 61 HG SER 61 0.223 11.652 -8.921 459 H ARG 62 H ARG 62 4.026 9.586 -9.407 460 HA ARG 62 HA ARG 62 3.286 11.291 -11.583 461 1HB ARG 62 1HB ARG 62 5.563 11.575 -11.110 462 2HB ARG 62 2HB ARG 62 5.788 9.900 -10.648 463 1HG ARG 62 1HG ARG 62 5.814 9.164 -12.954 464 2HG ARG 62 2HG ARG 62 5.217 10.708 -13.530 465 1HD ARG 62 1HD ARG 62 7.292 11.730 -13.383 466 2HD ARG 62 2HD ARG 62 7.758 10.833 -11.952 467 HE ARG 62 HE ARG 62 8.755 9.230 -13.327 468 1HH1 ARG 62 2HH2 ARG 62 6.423 11.057 -15.226 469 2HH1 ARG 62 1HH2 ARG 62 6.856 10.298 -16.723 470 1HH2 ARG 62 2HH1 ARG 62 9.327 8.230 -15.300 471 2HH2 ARG 62 1HH1 ARG 62 8.520 8.680 -16.765 472 H TYR 63 H TYR 63 3.017 7.969 -10.702 473 HA TYR 63 HA TYR 63 2.641 7.233 -13.528 474 1HB TYR 63 1HB TYR 63 4.040 6.034 -11.142 475 2HB TYR 63 2HB TYR 63 3.072 4.891 -12.051 476 HD1 TYR 63 1HD TYR 63 3.791 4.067 -14.182 477 HD2 TYR 63 2HD TYR 63 5.931 7.244 -12.277 478 HE1 TYR 63 1HE TYR 63 5.687 3.803 -15.855 479 HE2 TYR 63 2HE TYR 63 7.820 6.970 -13.956 480 HH TYR 63 HH TYR 63 8.574 4.694 -15.461 481 H TRP 64 H TRP 64 1.501 7.084 -10.145 482 HA TRP 64 HA TRP 64 -0.995 5.905 -11.164 483 1HB TRP 64 1HB TRP 64 0.379 5.495 -8.506 484 2HB TRP 64 2HB TRP 64 -1.283 5.036 -8.823 485 HD1 TRP 64 HD TRP 64 -1.663 2.859 -10.408 486 HE1 TRP 64 1HE TRP 64 -0.141 0.865 -11.227 487 HE3 TRP 64 3HE TRP 64 2.765 5.045 -9.193 488 HZ2 TRP 64 2HZ TRP 64 2.679 0.434 -11.274 489 HZ3 TRP 64 3HZ TRP 64 4.855 3.770 -9.659 490 HH2 TRP 64 HH TRP 64 4.861 1.541 -10.662 491 H CYS 65 H CYS 65 -2.915 6.591 -9.680 492 HA CYS 65 HA CYS 65 -4.198 8.194 -8.910 493 1HB CYS 65 1HB CYS 65 -3.572 9.164 -6.991 494 2HB CYS 65 2HB CYS 65 -2.183 8.107 -7.152 495 H ASN 66 H ASN 66 -4.840 10.504 -9.293 496 HA ASN 66 HA ASN 66 -3.091 11.884 -11.137 497 1HB ASN 66 1HB ASN 66 -5.270 10.398 -12.072 498 2HB ASN 66 2HB ASN 66 -5.965 11.998 -11.906 499 1HD2 ASN 66 1HD2 ASN 66 -6.055 11.442 -14.312 500 2HD2 ASN 66 2HD2 ASN 66 -4.764 12.039 -15.301 501 H ASP 67 H ASP 67 -5.031 13.938 -11.819 502 HA ASP 67 HA ASP 67 -6.030 14.834 -9.261 503 1HB ASP 67 1HB ASP 67 -3.815 15.867 -9.392 504 2HB ASP 67 2HB ASP 67 -4.096 16.377 -11.045 505 H GLY 68 H GLY 68 -5.455 15.725 -12.751 506 1HA GLY 68 1HA GLY 68 -7.342 15.753 -14.251 507 2HA GLY 68 2HA GLY 68 -8.321 16.420 -12.961 508 H LYS 69 H LYS 69 -5.300 17.820 -12.568 509 HA LYS 69 HA LYS 69 -6.056 20.083 -14.283 510 1HB LYS 69 1HB LYS 69 -5.020 19.974 -11.460 511 2HB LYS 69 2HB LYS 69 -4.695 21.376 -12.460 512 1HG LYS 69 1HG LYS 69 -6.909 22.050 -12.495 513 2HG LYS 69 2HG LYS 69 -7.524 20.408 -12.508 514 1HD LYS 69 1HD LYS 69 -6.847 20.189 -10.073 515 2HD LYS 69 2HD LYS 69 -6.376 21.877 -10.088 516 1HE LYS 69 1HE LYS 69 -8.633 21.760 -9.198 517 2HE LYS 69 2HE LYS 69 -8.736 22.482 -10.790 518 1HZ LYS 69 1HZ LYS 69 -9.169 19.626 -10.252 519 2HZ LYS 69 2HZ LYS 69 -10.363 20.728 -10.414 520 3HZ LYS 69 3HZ LYS 69 -9.391 20.387 -11.681 521 H THR 70 H THR 70 -3.926 17.512 -13.877 522 HA THR 70 HA THR 70 -1.834 18.984 -15.337 523 HB THR 70 HB THR 70 -1.678 17.058 -12.990 524 HG1 THR 70 1HG THR 70 -1.573 19.515 -12.965 525 1HG2 THR 70 1HG2 THR 70 0.769 16.877 -13.418 526 2HG2 THR 70 2HG2 THR 70 -0.145 16.127 -14.750 527 3HG2 THR 70 3HG2 THR 70 0.568 17.745 -14.959 528 HA PRO 71 HA PRO 71 -3.140 15.794 -18.096 529 1HB PRO 71 1HB PRO 71 -2.648 17.176 -20.402 530 2HB PRO 71 2HB PRO 71 -4.192 17.210 -19.574 531 1HG PRO 71 1HG PRO 71 -2.092 19.288 -19.666 532 2HG PRO 71 2HG PRO 71 -3.779 19.452 -19.221 533 1HD PRO 71 1HD PRO 71 -1.534 19.372 -17.438 534 2HD PRO 71 2HD PRO 71 -3.227 19.418 -16.990 535 H ARG 72 H ARG 72 -0.979 15.201 -16.777 536 HA ARG 72 HA ARG 72 0.785 14.528 -18.965 537 1HB ARG 72 1HB ARG 72 1.675 16.587 -17.724 538 2HB ARG 72 2HB ARG 72 1.822 15.591 -16.291 539 1HG ARG 72 1HG ARG 72 3.089 14.053 -18.268 540 2HG ARG 72 2HG ARG 72 3.545 15.693 -18.686 541 1HD ARG 72 1HD ARG 72 3.765 15.454 -15.824 542 2HD ARG 72 2HD ARG 72 4.541 14.046 -16.523 543 HE ARG 72 HE ARG 72 5.441 16.822 -16.740 544 1HH1 ARG 72 2HH2 ARG 72 5.582 13.633 -18.222 545 2HH1 ARG 72 1HH2 ARG 72 7.079 13.937 -19.037 546 1HH2 ARG 72 2HH1 ARG 72 7.417 17.224 -17.815 547 2HH2 ARG 72 1HH1 ARG 72 8.131 15.993 -18.804 548 H ALA 73 H ALA 73 0.609 14.273 -15.328 549 HA ALA 73 HA ALA 73 1.762 11.889 -14.944 550 1HB ALA 73 1HB ALA 73 -0.734 12.091 -13.422 551 2HB ALA 73 2HB ALA 73 0.952 12.190 -12.860 552 3HB ALA 73 3HB ALA 73 0.139 13.641 -13.493 553 H VAL 74 H VAL 74 1.361 9.726 -15.309 554 HA VAL 74 HA VAL 74 -0.997 9.173 -16.943 555 HB VAL 74 HB VAL 74 1.203 8.637 -17.858 556 1HG1 VAL 74 1HG1 VAL 74 2.104 6.382 -16.558 557 2HG1 VAL 74 2HG1 VAL 74 2.781 8.019 -16.379 558 3HG1 VAL 74 3HG1 VAL 74 1.583 7.418 -15.207 559 1HG2 VAL 74 1HG2 VAL 74 -0.271 7.213 -18.855 560 2HG2 VAL 74 2HG2 VAL 74 0.711 6.002 -17.997 561 3HG2 VAL 74 3HG2 VAL 74 -0.841 6.539 -17.310 562 H ASN 75 H ASN 75 -2.106 9.544 -14.667 563 HA ASN 75 HA ASN 75 -1.836 7.865 -12.597 564 1HB ASN 75 1HB ASN 75 -4.338 8.206 -12.236 565 2HB ASN 75 2HB ASN 75 -3.453 9.690 -12.533 566 1HD2 ASN 75 1HD2 ASN 75 -6.275 8.973 -12.948 567 2HD2 ASN 75 2HD2 ASN 75 -6.643 9.305 -14.607 568 H ALA 76 H ALA 76 -1.361 5.657 -13.125 569 HA ALA 76 HA ALA 76 -3.056 4.251 -14.979 570 1HB ALA 76 1HB ALA 76 -0.870 3.513 -15.146 571 2HB ALA 76 2HB ALA 76 -0.553 3.715 -13.406 572 3HB ALA 76 3HB ALA 76 -1.506 2.325 -13.982 573 H CYS 77 H CYS 77 -3.217 5.175 -11.696 574 HA CYS 77 HA CYS 77 -4.592 2.774 -10.865 575 1HB CYS 77 1HB CYS 77 -2.969 4.189 -9.441 576 2HB CYS 77 2HB CYS 77 -4.310 5.301 -9.253 577 H GLY 78 H GLY 78 -5.165 6.235 -11.686 578 1HA GLY 78 1HA GLY 78 -7.039 7.293 -12.354 579 2HA GLY 78 2HA GLY 78 -7.837 5.740 -12.499 580 H ILE 79 H ILE 79 -6.474 7.761 -9.789 581 HA ILE 79 HA ILE 79 -9.095 7.827 -8.576 582 HB ILE 79 HB ILE 79 -8.670 6.637 -6.686 583 1HG1 ILE 79 1HG1 ILE 79 -6.582 7.891 -6.133 584 2HG1 ILE 79 2HG1 ILE 79 -6.552 6.199 -5.678 585 1HG2 ILE 79 1HG2 ILE 79 -7.552 4.493 -7.310 586 2HG2 ILE 79 2HG2 ILE 79 -8.776 5.048 -8.477 587 3HG2 ILE 79 3HG2 ILE 79 -7.045 5.255 -8.836 588 1HD1 ILE 79 1HD1 ILE 79 -4.886 5.686 -7.169 589 2HD1 ILE 79 2HD1 ILE 79 -5.546 6.759 -8.427 590 3HD1 ILE 79 3HD1 ILE 79 -4.565 7.436 -7.106 591 H ASN 80 H ASN 80 -8.914 9.188 -6.437 592 HA ASN 80 HA ASN 80 -7.619 11.568 -7.220 593 1HB ASN 80 1HB ASN 80 -9.351 10.654 -4.924 594 2HB ASN 80 2HB ASN 80 -8.391 12.097 -4.660 595 1HD2 ASN 80 1HD2 ASN 80 -10.874 10.588 -6.614 596 2HD2 ASN 80 2HD2 ASN 80 -11.567 12.026 -7.285 597 H CYS 81 H CYS 81 -5.510 12.165 -6.683 598 HA CYS 81 HA CYS 81 -3.764 10.491 -5.424 599 1HB CYS 81 1HB CYS 81 -3.724 13.469 -5.865 600 2HB CYS 81 2HB CYS 81 -2.401 12.648 -5.060 601 H SER 82 H SER 82 -5.927 13.043 -4.116 602 HA SER 82 HA SER 82 -4.833 13.206 -1.596 603 1HB SER 82 1HB SER 82 -6.845 14.477 -2.885 604 2HB SER 82 2HB SER 82 -7.814 13.401 -1.898 605 HG SER 82 HG SER 82 -7.464 15.337 -0.737 606 H ALA 83 H ALA 83 -6.812 10.726 -3.140 607 HA ALA 83 HA ALA 83 -7.953 9.563 -0.881 608 1HB ALA 83 1HB ALA 83 -8.406 7.719 -2.328 609 2HB ALA 83 2HB ALA 83 -8.442 9.166 -3.363 610 3HB ALA 83 3HB ALA 83 -7.016 8.101 -3.372 611 H LEU 84 H LEU 84 -4.652 9.815 -1.907 612 HA LEU 84 HA LEU 84 -3.901 7.490 -0.304 613 1HB LEU 84 1HB LEU 84 -2.186 9.201 -2.106 614 2HB LEU 84 2HB LEU 84 -1.735 7.689 -1.343 615 HG LEU 84 HG LEU 84 -4.093 7.209 -2.883 616 1HD1 LEU 84 1HD1 LEU 84 -2.881 9.388 -3.982 617 2HD1 LEU 84 2HD1 LEU 84 -2.071 8.061 -4.850 618 3HD1 LEU 84 3HD1 LEU 84 -3.846 8.194 -4.883 619 1HD2 LEU 84 1HD2 LEU 84 -1.498 6.278 -3.940 620 2HD2 LEU 84 2HD2 LEU 84 -1.811 5.886 -2.232 621 3HD2 LEU 84 3HD2 LEU 84 -2.959 5.365 -3.488 622 H LEU 85 H LEU 85 -4.933 10.318 0.556 623 HA LEU 85 HA LEU 85 -2.824 10.666 2.546 624 1HB LEU 85 1HB LEU 85 -2.734 12.314 0.527 625 2HB LEU 85 2HB LEU 85 -4.116 13.068 1.299 626 HG LEU 85 HG LEU 85 -2.790 13.430 3.346 627 1HD1 LEU 85 1HD1 LEU 85 -1.102 11.987 3.663 628 2HD1 LEU 85 2HD1 LEU 85 -0.864 11.715 1.920 629 3HD1 LEU 85 3HD1 LEU 85 -0.157 13.149 2.701 630 1HD2 LEU 85 1HD2 LEU 85 -1.982 15.385 2.585 631 2HD2 LEU 85 2HD2 LEU 85 -1.005 14.614 1.313 632 3HD2 LEU 85 3HD2 LEU 85 -2.744 14.887 1.056 633 H GLN 86 H GLN 86 -5.593 9.381 2.296 634 HA GLN 86 HA GLN 86 -6.973 11.094 4.201 635 1HB GLN 86 1HB GLN 86 -8.070 8.720 2.632 636 2HB GLN 86 2HB GLN 86 -9.003 9.830 3.617 637 1HG GLN 86 1HG GLN 86 -7.875 11.672 2.024 638 2HG GLN 86 2HG GLN 86 -7.693 10.309 0.938 639 1HE2 GLN 86 1HE2 GLN 86 -9.349 12.700 0.727 640 2HE2 GLN 86 2HE2 GLN 86 -10.989 12.180 0.529 641 H ASP 87 H ASP 87 -8.645 9.117 5.396 642 HA ASP 87 HA ASP 87 -6.683 7.923 7.115 643 1HB ASP 87 1HB ASP 87 -8.442 8.920 8.336 644 2HB ASP 87 2HB ASP 87 -9.666 8.393 7.199 645 H ASP 88 H ASP 88 -9.914 6.738 5.920 646 HA ASP 88 HA ASP 88 -9.573 4.138 6.161 647 1HB ASP 88 1HB ASP 88 -10.836 4.130 3.740 648 2HB ASP 88 2HB ASP 88 -11.639 4.522 5.247 649 H ILE 89 H ILE 89 -8.103 2.619 5.364 650 HA ILE 89 HA ILE 89 -6.225 3.456 3.364 651 HB ILE 89 HB ILE 89 -5.014 1.548 3.930 652 1HG1 ILE 89 1HG1 ILE 89 -7.479 0.358 5.235 653 2HG1 ILE 89 2HG1 ILE 89 -6.900 -0.060 3.635 654 1HG2 ILE 89 1HG2 ILE 89 -6.025 1.666 6.640 655 2HG2 ILE 89 2HG2 ILE 89 -4.490 2.264 5.965 656 3HG2 ILE 89 3HG2 ILE 89 -5.944 3.289 5.914 657 1HD1 ILE 89 1HD1 ILE 89 -6.156 -1.578 5.599 658 2HD1 ILE 89 2HD1 ILE 89 -4.887 -1.029 4.476 659 3HD1 ILE 89 3HD1 ILE 89 -5.076 -0.241 6.061 660 H THR 90 H THR 90 -9.381 2.401 3.215 661 HA THR 90 HA THR 90 -9.512 0.342 1.447 662 HB THR 90 HB THR 90 -11.435 1.543 2.524 663 HG1 THR 90 1HG THR 90 -12.673 1.069 0.676 664 1HG2 THR 90 1HG2 THR 90 -11.487 3.526 0.274 665 2HG2 THR 90 2HG2 THR 90 -12.087 3.695 1.942 666 3HG2 THR 90 3HG2 THR 90 -10.351 3.884 1.597 667 H ALA 91 H ALA 91 -8.509 3.705 0.784 668 HA ALA 91 HA ALA 91 -8.539 3.343 -2.040 669 1HB ALA 91 1HB ALA 91 -8.813 5.546 -1.037 670 2HB ALA 91 2HB ALA 91 -7.238 5.407 -0.220 671 3HB ALA 91 3HB ALA 91 -7.313 5.524 -1.994 672 H ALA 92 H ALA 92 -6.137 3.022 0.611 673 HA ALA 92 HA ALA 92 -3.890 2.745 -1.042 674 1HB ALA 92 1HB ALA 92 -3.926 3.245 1.424 675 2HB ALA 92 2HB ALA 92 -4.385 1.549 1.713 676 3HB ALA 92 3HB ALA 92 -2.813 1.932 0.972 677 H ILE 93 H ILE 93 -6.371 0.448 0.172 678 HA ILE 93 HA ILE 93 -4.976 -1.839 -0.792 679 HB ILE 93 HB ILE 93 -7.887 -1.560 -0.052 680 1HG1 ILE 93 1HG1 ILE 93 -5.471 -2.024 1.717 681 2HG1 ILE 93 2HG1 ILE 93 -6.575 -0.664 1.769 682 1HG2 ILE 93 1HG2 ILE 93 -7.467 -3.999 0.640 683 2HG2 ILE 93 2HG2 ILE 93 -7.618 -3.633 -1.096 684 3HG2 ILE 93 3HG2 ILE 93 -6.010 -3.896 -0.378 685 1HD1 ILE 93 1HD1 ILE 93 -8.412 -2.594 2.077 686 2HD1 ILE 93 2HD1 ILE 93 -7.004 -3.499 2.683 687 3HD1 ILE 93 3HD1 ILE 93 -7.482 -1.972 3.463 688 H GLN 94 H GLN 94 -7.839 0.083 -1.918 689 HA GLN 94 HA GLN 94 -8.381 -1.389 -4.139 690 1HB GLN 94 1HB GLN 94 -9.668 0.597 -3.142 691 2HB GLN 94 2HB GLN 94 -8.566 1.648 -4.010 692 1HG GLN 94 1HG GLN 94 -9.228 0.602 -6.167 693 2HG GLN 94 2HG GLN 94 -10.285 -0.511 -5.322 694 1HE2 GLN 94 1HE2 GLN 94 -10.843 1.522 -7.357 695 2HE2 GLN 94 2HE2 GLN 94 -12.049 2.581 -6.705 696 H CYS 95 H CYS 95 -6.043 1.344 -3.744 697 HA CYS 95 HA CYS 95 -5.271 1.322 -6.456 698 1HB CYS 95 1HB CYS 95 -4.994 3.104 -4.490 699 2HB CYS 95 2HB CYS 95 -3.425 2.336 -4.346 700 H ALA 96 H ALA 96 -3.904 -0.015 -3.372 701 HA ALA 96 HA ALA 96 -1.573 -1.067 -4.304 702 1HB ALA 96 1HB ALA 96 -3.565 -2.006 -2.220 703 2HB ALA 96 2HB ALA 96 -2.015 -2.840 -2.484 704 3HB ALA 96 3HB ALA 96 -2.033 -1.135 -1.978 705 H LYS 97 H LYS 97 -4.904 -2.447 -4.519 706 HA LYS 97 HA LYS 97 -3.968 -4.816 -5.807 707 1HB LYS 97 1HB LYS 97 -6.307 -5.389 -5.974 708 2HB LYS 97 2HB LYS 97 -5.974 -4.766 -4.371 709 1HG LYS 97 1HG LYS 97 -7.035 -2.677 -4.821 710 2HG LYS 97 2HG LYS 97 -6.943 -2.896 -6.557 711 1HD LYS 97 1HD LYS 97 -9.218 -3.350 -6.063 712 2HD LYS 97 2HD LYS 97 -8.510 -4.945 -6.221 713 1HE LYS 97 1HE LYS 97 -8.143 -4.882 -3.656 714 2HE LYS 97 2HE LYS 97 -9.170 -3.463 -3.640 715 1HZ LYS 97 1HZ LYS 97 -9.931 -6.107 -4.670 716 2HZ LYS 97 2HZ LYS 97 -10.444 -5.436 -3.273 717 3HZ LYS 97 3HZ LYS 97 -10.888 -4.784 -4.703 718 H ARG 98 H ARG 98 -5.397 -1.669 -6.805 719 HA ARG 98 HA ARG 98 -5.781 -2.357 -9.445 720 1HB ARG 98 1HB ARG 98 -6.681 -0.297 -8.290 721 2HB ARG 98 2HB ARG 98 -5.069 0.388 -8.291 722 1HG ARG 98 1HG ARG 98 -6.148 1.330 -10.209 723 2HG ARG 98 2HG ARG 98 -5.067 0.107 -10.847 724 1HD ARG 98 1HD ARG 98 -6.883 -0.746 -11.928 725 2HD ARG 98 2HD ARG 98 -7.403 -1.352 -10.368 726 HE ARG 98 HE ARG 98 -9.023 0.351 -10.248 727 1HH1 ARG 98 2HH2 ARG 98 -6.766 1.032 -12.862 728 2HH1 ARG 98 1HH2 ARG 98 -7.712 2.329 -13.512 729 1HH2 ARG 98 2HH1 ARG 98 -10.271 2.063 -11.106 730 2HH2 ARG 98 1HH1 ARG 98 -9.718 2.919 -12.506 731 H VAL 99 H VAL 99 -2.881 -1.634 -7.602 732 HA VAL 99 HA VAL 99 -1.336 -1.035 -9.985 733 HB VAL 99 HB VAL 99 -0.766 -1.079 -7.026 734 1HG1 VAL 99 1HG1 VAL 99 1.334 -1.702 -7.630 735 2HG1 VAL 99 2HG1 VAL 99 1.131 -1.161 -9.314 736 3HG1 VAL 99 3HG1 VAL 99 1.482 0.025 -8.034 737 1HG2 VAL 99 1HG2 VAL 99 -1.100 1.136 -7.087 738 2HG2 VAL 99 2HG2 VAL 99 -0.123 1.328 -8.561 739 3HG2 VAL 99 3HG2 VAL 99 -1.838 0.872 -8.685 740 H VAL 100 H VAL 100 -1.276 -3.434 -7.250 741 HA VAL 100 HA VAL 100 0.640 -5.085 -8.368 742 HB VAL 100 HB VAL 100 -1.604 -5.468 -6.408 743 1HG1 VAL 100 1HG1 VAL 100 -1.389 -7.623 -7.525 744 2HG1 VAL 100 2HG1 VAL 100 0.376 -7.592 -7.300 745 3HG1 VAL 100 3HG1 VAL 100 -0.699 -7.713 -5.887 746 1HG2 VAL 100 1HG2 VAL 100 0.484 -4.157 -5.844 747 2HG2 VAL 100 2HG2 VAL 100 0.135 -5.534 -4.773 748 3HG2 VAL 100 3HG2 VAL 100 1.396 -5.675 -6.021 749 H ARG 101 H ARG 101 -2.755 -4.596 -9.170 750 HA ARG 101 HA ARG 101 -3.395 -6.987 -10.255 751 1HB ARG 101 1HB ARG 101 -4.314 -4.224 -10.455 752 2HB ARG 101 2HB ARG 101 -4.439 -4.993 -12.025 753 1HG ARG 101 1HG ARG 101 -5.757 -6.845 -11.067 754 2HG ARG 101 2HG ARG 101 -5.531 -6.215 -9.448 755 1HD ARG 101 1HD ARG 101 -7.303 -4.813 -9.687 756 2HD ARG 101 2HD ARG 101 -6.603 -4.101 -11.127 757 HE ARG 101 HE ARG 101 -8.047 -5.400 -12.419 758 1HH1 ARG 101 2HH2 ARG 101 -7.733 -6.886 -9.245 759 2HH1 ARG 101 1HH2 ARG 101 -8.921 -8.107 -9.558 760 1HH2 ARG 101 2HH1 ARG 101 -9.616 -7.010 -12.832 761 2HH2 ARG 101 1HH1 ARG 101 -10.000 -8.178 -11.611 762 H ASP 102 H ASP 102 -0.973 -4.706 -11.286 763 HA ASP 102 HA ASP 102 -1.018 -5.354 -14.021 764 1HB ASP 102 1HB ASP 102 0.419 -3.600 -12.248 765 2HB ASP 102 2HB ASP 102 1.615 -4.533 -13.126 766 HA PRO 103 HA PRO 103 1.719 -8.797 -13.988 767 1HB PRO 103 1HB PRO 103 3.679 -8.293 -15.825 768 2HB PRO 103 2HB PRO 103 2.060 -8.797 -16.266 769 1HG PRO 103 1HG PRO 103 3.283 -6.114 -16.464 770 2HG PRO 103 2HG PRO 103 1.855 -6.732 -17.270 771 1HD PRO 103 1HD PRO 103 1.922 -4.960 -15.014 772 2HD PRO 103 2HD PRO 103 0.497 -5.670 -15.748 773 H GLN 104 H GLN 104 2.685 -6.045 -12.603 774 HA GLN 104 HA GLN 104 5.387 -6.686 -12.156 775 1HB GLN 104 1HB GLN 104 3.570 -4.856 -10.528 776 2HB GLN 104 2HB GLN 104 5.324 -4.836 -10.533 777 1HG GLN 104 1HG GLN 104 4.159 -4.627 -13.249 778 2HG GLN 104 2HG GLN 104 3.674 -3.313 -12.196 779 1HE2 GLN 104 1HE2 GLN 104 6.463 -5.148 -13.365 780 2HE2 GLN 104 2HE2 GLN 104 7.633 -3.873 -13.274 781 H GLY 105 H GLY 105 2.543 -6.624 -9.877 782 1HA GLY 105 1HA GLY 105 1.944 -8.215 -8.344 783 2HA GLY 105 2HA GLY 105 3.381 -9.147 -8.720 784 H ILE 106 H ILE 106 2.452 -8.621 -6.043 785 HA ILE 106 HA ILE 106 3.515 -6.473 -4.759 786 HB ILE 106 HB ILE 106 2.995 -9.313 -3.996 787 1HG1 ILE 106 1HG1 ILE 106 1.359 -7.189 -4.224 788 2HG1 ILE 106 2HG1 ILE 106 1.085 -8.509 -3.104 789 1HG2 ILE 106 1HG2 ILE 106 4.958 -8.894 -2.710 790 2HG2 ILE 106 2HG2 ILE 106 4.393 -7.269 -2.257 791 3HG2 ILE 106 3HG2 ILE 106 3.558 -8.708 -1.627 792 1HD1 ILE 106 1HD1 ILE 106 2.105 -7.270 -1.269 793 2HD1 ILE 106 2HD1 ILE 106 2.643 -5.987 -2.379 794 3HD1 ILE 106 3HD1 ILE 106 0.907 -6.213 -2.055 795 H ARG 107 H ARG 107 5.187 -9.118 -6.350 796 HA ARG 107 HA ARG 107 7.483 -9.353 -5.063 797 1HB ARG 107 1HB ARG 107 6.794 -10.348 -7.334 798 2HB ARG 107 2HB ARG 107 7.360 -8.867 -8.079 799 1HG ARG 107 1HG ARG 107 9.496 -9.598 -6.408 800 2HG ARG 107 2HG ARG 107 8.915 -11.137 -7.010 801 1HD ARG 107 1HD ARG 107 10.298 -10.626 -8.788 802 2HD ARG 107 2HD ARG 107 8.883 -9.759 -9.351 803 HE ARG 107 HE ARG 107 10.491 -8.097 -7.597 804 1HH1 ARG 107 2HH2 ARG 107 10.294 -9.334 -10.885 805 2HH1 ARG 107 1HH2 ARG 107 11.196 -8.024 -11.569 806 1HH2 ARG 107 2HH1 ARG 107 11.682 -6.368 -8.498 807 2HH2 ARG 107 1HH1 ARG 107 11.991 -6.325 -10.202 808 H ALA 108 H ALA 108 6.353 -6.508 -6.898 809 HA ALA 108 HA ALA 108 8.649 -5.129 -7.345 810 1HB ALA 108 1HB ALA 108 5.801 -4.557 -6.986 811 2HB ALA 108 2HB ALA 108 6.828 -3.203 -6.454 812 3HB ALA 108 3HB ALA 108 6.974 -3.832 -8.113 813 H TRP 109 H TRP 109 6.997 -5.775 -4.254 814 HA TRP 109 HA TRP 109 8.864 -4.004 -2.879 815 1HB TRP 109 1HB TRP 109 6.438 -5.516 -1.892 816 2HB TRP 109 2HB TRP 109 7.459 -4.494 -0.900 817 HD1 TRP 109 HD TRP 109 7.459 -1.761 -1.666 818 HE1 TRP 109 1HE TRP 109 5.540 -0.216 -2.609 819 HE3 TRP 109 3HE TRP 109 4.469 -5.555 -3.257 820 HZ2 TRP 109 2HZ TRP 109 3.042 -0.742 -3.885 821 HZ3 TRP 109 3HZ TRP 109 2.308 -4.952 -4.340 822 HH2 TRP 109 HH TRP 109 1.577 -2.642 -4.664 823 H VAL 110 H VAL 110 10.173 -6.080 -4.156 824 HA VAL 110 HA VAL 110 10.366 -8.523 -3.081 825 HB VAL 110 HB VAL 110 12.479 -6.598 -4.024 826 1HG1 VAL 110 1HG1 VAL 110 14.022 -7.865 -2.989 827 2HG1 VAL 110 2HG1 VAL 110 12.860 -9.171 -2.649 828 3HG1 VAL 110 3HG1 VAL 110 13.655 -9.078 -4.239 829 1HG2 VAL 110 1HG2 VAL 110 10.880 -8.841 -5.217 830 2HG2 VAL 110 2HG2 VAL 110 11.234 -7.222 -5.866 831 3HG2 VAL 110 3HG2 VAL 110 12.496 -8.478 -5.869 832 H ALA 111 H ALA 111 11.174 -5.452 -1.519 833 HA ALA 111 HA ALA 111 12.908 -6.109 0.420 834 1HB ALA 111 1HB ALA 111 12.303 -4.060 1.116 835 2HB ALA 111 2HB ALA 111 10.980 -4.094 -0.075 836 3HB ALA 111 3HB ALA 111 10.693 -4.652 1.591 837 H TRP 112 H TRP 112 9.332 -6.729 0.504 838 HA TRP 112 HA TRP 112 9.292 -7.952 2.993 839 1HB TRP 112 1HB TRP 112 7.153 -7.749 2.495 840 2HB TRP 112 2HB TRP 112 7.504 -7.518 0.793 841 HD1 TRP 112 HD TRP 112 7.396 -9.768 -0.785 842 HE1 TRP 112 1HE TRP 112 6.192 -12.105 -0.558 843 HE3 TRP 112 3HE TRP 112 6.522 -9.422 4.212 844 HZ2 TRP 112 2HZ TRP 112 5.034 -13.515 1.637 845 HZ3 TRP 112 3HZ TRP 112 5.349 -11.323 5.320 846 HH2 TRP 112 HH TRP 112 4.613 -13.318 4.116 847 H ARG 113 H ARG 113 9.905 -9.223 -0.333 848 HA ARG 113 HA ARG 113 10.031 -11.886 0.481 849 1HB ARG 113 1HB ARG 113 9.804 -10.805 -1.920 850 2HB ARG 113 2HB ARG 113 11.556 -10.771 -1.905 851 1HG ARG 113 1HG ARG 113 10.682 -13.382 -0.999 852 2HG ARG 113 2HG ARG 113 9.835 -12.999 -2.485 853 1HD ARG 113 1HD ARG 113 12.197 -12.270 -3.389 854 2HD ARG 113 2HD ARG 113 12.836 -13.165 -2.025 855 HE ARG 113 HE ARG 113 11.009 -14.918 -3.208 856 1HH1 ARG 113 2HH2 ARG 113 13.873 -13.179 -4.284 857 2HH1 ARG 113 1HH2 ARG 113 14.305 -14.367 -5.469 858 1HH2 ARG 113 2HH1 ARG 113 11.578 -16.485 -4.770 859 2HH2 ARG 113 1HH1 ARG 113 12.991 -16.260 -5.747 860 H ALA 114 H ALA 114 12.065 -9.260 1.164 861 HA ALA 114 HA ALA 114 14.305 -11.085 1.686 862 1HB ALA 114 1HB ALA 114 15.689 -8.883 1.267 863 2HB ALA 114 2HB ALA 114 15.157 -9.870 -0.114 864 3HB ALA 114 3HB ALA 114 14.262 -8.395 0.322 865 H HIS 115 H HIS 115 12.037 -10.352 3.393 866 HA HIS 115 HA HIS 115 13.589 -9.317 5.576 867 1HB HIS 115 1HB HIS 115 12.278 -7.428 4.141 868 2HB HIS 115 2HB HIS 115 11.006 -7.891 5.253 869 HD1 HIS 115 1HD HIS 115 10.971 -6.482 7.304 870 HD2 HIS 115 2HD HIS 115 14.856 -6.942 5.790 871 HE1 HIS 115 1HE HIS 115 12.499 -5.131 8.835 872 HE2 HIS 115 2HE HIS 115 14.879 -5.496 7.887 873 H CYS 116 H CYS 116 10.282 -10.201 4.374 874 HA CYS 116 HA CYS 116 9.691 -11.358 6.951 875 1HB CYS 116 1HB CYS 116 8.175 -10.334 4.722 876 2HB CYS 116 2HB CYS 116 7.647 -11.962 5.102 877 H GLN 117 H GLN 117 10.112 -12.304 3.476 878 HA GLN 117 HA GLN 117 9.634 -14.993 3.832 879 1HB GLN 117 1HB GLN 117 10.666 -13.235 1.751 880 2HB GLN 117 2HB GLN 117 11.575 -14.734 1.769 881 1HG GLN 117 1HG GLN 117 9.169 -15.860 1.949 882 2HG GLN 117 2HG GLN 117 8.609 -14.325 1.316 883 1HE2 GLN 117 1HE2 GLN 117 11.462 -16.390 0.753 884 2HE2 GLN 117 2HE2 GLN 117 11.314 -16.503 -0.969 885 H ASN 118 H ASN 118 10.852 -14.917 6.090 886 HA ASN 118 HA ASN 118 13.307 -16.302 5.617 887 1HB ASN 118 1HB ASN 118 13.665 -13.659 6.015 888 2HB ASN 118 2HB ASN 118 13.441 -14.104 7.696 889 1HD2 ASN 118 1HD2 ASN 118 15.597 -13.835 5.160 890 2HD2 ASN 118 2HD2 ASN 118 16.939 -14.730 5.789 891 H ARG 119 H ARG 119 10.995 -14.762 7.945 892 HA ARG 119 HA ARG 119 11.179 -17.203 9.515 893 1HB ARG 119 1HB ARG 119 12.167 -14.878 10.461 894 2HB ARG 119 2HB ARG 119 10.487 -14.586 10.861 895 1HG ARG 119 1HG ARG 119 10.644 -15.948 12.665 896 2HG ARG 119 2HG ARG 119 11.114 -17.293 11.643 897 1HD ARG 119 1HD ARG 119 13.454 -15.771 11.728 898 2HD ARG 119 2HD ARG 119 12.802 -15.537 13.337 899 HE ARG 119 HE ARG 119 12.750 -18.335 12.463 900 1HH1 ARG 119 2HH2 ARG 119 14.677 -15.831 14.010 901 2HH1 ARG 119 1HH2 ARG 119 15.697 -16.953 14.847 902 1HH2 ARG 119 2HH1 ARG 119 14.094 -19.817 13.566 903 2HH2 ARG 119 1HH1 ARG 119 15.363 -19.236 14.593 904 H ASP 120 H ASP 120 9.101 -16.653 11.360 905 HA ASP 120 HA ASP 120 6.856 -16.708 9.542 906 1HB ASP 120 1HB ASP 120 7.300 -18.495 11.343 907 2HB ASP 120 2HB ASP 120 6.896 -17.279 12.540 908 H LEU 121 H LEU 121 6.165 -14.562 9.180 909 HA LEU 121 HA LEU 121 6.056 -12.781 11.493 910 1HB LEU 121 1HB LEU 121 7.199 -12.222 9.255 911 2HB LEU 121 2HB LEU 121 5.577 -12.029 8.621 912 HG LEU 121 HG LEU 121 5.669 -10.519 11.016 913 1HD1 LEU 121 1HD1 LEU 121 7.536 -9.090 10.840 914 2HD1 LEU 121 2HD1 LEU 121 8.183 -10.743 10.713 915 3HD1 LEU 121 3HD1 LEU 121 7.995 -9.746 9.250 916 1HD2 LEU 121 1HD2 LEU 121 5.923 -8.811 8.758 917 2HD2 LEU 121 2HD2 LEU 121 4.962 -10.226 8.265 918 3HD2 LEU 121 3HD2 LEU 121 4.455 -9.250 9.665 919 H SER 122 H SER 122 4.206 -15.161 10.765 920 HA SER 122 HA SER 122 1.774 -13.946 10.030 921 1HB SER 122 1HB SER 122 2.651 -16.657 11.000 922 2HB SER 122 2HB SER 122 0.945 -16.272 11.106 923 HG SER 122 HG SER 122 2.565 -16.698 8.828 924 H GLN 123 H GLN 123 3.611 -14.150 12.964 925 HA GLN 123 HA GLN 123 1.386 -14.095 14.719 926 1HB GLN 123 1HB GLN 123 3.663 -14.997 15.318 927 2HB GLN 123 2HB GLN 123 4.298 -13.365 15.258 928 1HG GLN 123 1HG GLN 123 2.678 -12.672 17.040 929 2HG GLN 123 2HG GLN 123 2.050 -14.306 17.102 930 1HE2 GLN 123 1HE2 GLN 123 2.733 -13.802 19.400 931 2HE2 GLN 123 2HE2 GLN 123 4.319 -14.303 19.886 932 H TYR 124 H TYR 124 2.765 -11.831 12.592 933 HA TYR 124 HA TYR 124 2.522 -9.505 14.227 934 1HB TYR 124 1HB TYR 124 3.705 -10.291 11.821 935 2HB TYR 124 2HB TYR 124 2.299 -9.435 11.218 936 HD1 TYR 124 1HD TYR 124 3.084 -7.419 10.345 937 HD2 TYR 124 2HD TYR 124 4.479 -8.703 14.180 938 HE1 TYR 124 1HE TYR 124 4.305 -5.210 10.648 939 HE2 TYR 124 2HE TYR 124 5.696 -6.490 14.471 940 HH TYR 124 HH TYR 124 5.036 -3.842 12.820 941 H ILE 125 H ILE 125 0.387 -11.396 12.101 942 HA ILE 125 HA ILE 125 -1.620 -9.279 12.263 943 HB ILE 125 HB ILE 125 -2.809 -10.902 10.646 944 1HG1 ILE 125 1HG1 ILE 125 0.028 -11.887 10.251 945 2HG1 ILE 125 2HG1 ILE 125 -1.193 -12.783 11.133 946 1HG2 ILE 125 1HG2 ILE 125 -1.850 -9.796 8.786 947 2HG2 ILE 125 2HG2 ILE 125 -1.751 -8.659 10.151 948 3HG2 ILE 125 3HG2 ILE 125 -0.303 -9.553 9.630 949 1HD1 ILE 125 1HD1 ILE 125 -0.973 -13.421 8.682 950 2HD1 ILE 125 2HD1 ILE 125 -2.617 -12.951 9.175 951 3HD1 ILE 125 3HD1 ILE 125 -1.597 -11.804 8.273 952 H ARG 126 H ARG 126 -0.984 -12.732 13.076 953 HA ARG 126 HA ARG 126 -3.491 -13.250 14.085 954 1HB ARG 126 1HB ARG 126 -1.758 -14.986 13.594 955 2HB ARG 126 2HB ARG 126 -0.788 -14.410 14.934 956 1HG ARG 126 1HG ARG 126 -1.920 -15.815 16.304 957 2HG ARG 126 2HG ARG 126 -3.363 -14.856 16.041 958 1HD ARG 126 1HD ARG 126 -4.265 -16.724 15.095 959 2HD ARG 126 2HD ARG 126 -3.243 -16.389 13.711 960 HE ARG 126 HE ARG 126 -1.933 -17.900 15.880 961 1HH1 ARG 126 2HH2 ARG 126 -3.701 -18.062 12.842 962 2HH1 ARG 126 1HH2 ARG 126 -3.158 -19.663 12.464 963 1HH2 ARG 126 2HH1 ARG 126 -1.216 -20.012 15.382 964 2HH2 ARG 126 1HH1 ARG 126 -1.735 -20.779 13.918 965 H ASN 127 H ASN 127 -4.453 -11.964 15.650 966 HA ASN 127 HA ASN 127 -3.827 -12.068 18.227 967 1HB ASN 127 1HB ASN 127 -1.894 -10.364 16.911 968 2HB ASN 127 2HB ASN 127 -2.903 -9.337 17.909 969 1HD2 ASN 127 1HD2 ASN 127 -1.573 -8.888 19.542 970 2HD2 ASN 127 2HD2 ASN 127 -0.878 -10.041 20.632 971 H CYS 128 H CYS 128 -4.882 -10.172 15.424 972 HA CYS 128 HA CYS 128 -6.495 -8.343 16.856 973 1HB CYS 128 1HB CYS 128 -5.557 -8.510 14.294 974 2HB CYS 128 2HB CYS 128 -7.238 -8.947 14.070 975 H GLY 129 H GLY 129 -6.756 -11.681 15.756 976 1HA GLY 129 1HA GLY 129 -8.413 -13.044 16.834 977 2HA GLY 129 2HA GLY 129 -9.562 -11.730 16.685 978 H VAL 130 H VAL 130 -7.248 -12.599 14.095 979 HA VAL 130 HA VAL 130 -9.518 -13.127 12.364 980 HB VAL 130 HB VAL 130 -6.578 -12.623 11.946 981 1HG1 VAL 130 1HG1 VAL 130 -8.591 -13.259 9.763 982 2HG1 VAL 130 2HG1 VAL 130 -6.857 -12.910 9.567 983 3HG1 VAL 130 3HG1 VAL 130 -7.377 -14.406 10.380 984 1HG2 VAL 130 1HG2 VAL 130 -8.662 -10.880 12.257 985 2HG2 VAL 130 2HG2 VAL 130 -7.166 -10.524 11.361 986 3HG2 VAL 130 3HG2 VAL 130 -8.620 -11.064 10.488 Start of MODEL 20 1 H LYS 1 H LYS 1 -6.231 6.696 7.379 2 HA LYS 1 HA LYS 1 -4.578 9.085 7.752 3 1HB LYS 1 1HB LYS 1 -7.202 8.404 8.599 4 2HB LYS 1 2HB LYS 1 -6.202 8.434 10.036 5 1HG LYS 1 1HG LYS 1 -5.695 10.673 8.135 6 2HG LYS 1 2HG LYS 1 -7.298 10.672 8.842 7 1HD LYS 1 1HD LYS 1 -5.022 10.167 10.730 8 2HD LYS 1 2HD LYS 1 -5.124 11.784 10.063 9 1HE LYS 1 1HE LYS 1 -6.752 12.273 11.563 10 2HE LYS 1 2HE LYS 1 -7.792 11.091 10.793 11 1HZ LYS 1 1HZ LYS 1 -5.814 9.963 12.525 12 2HZ LYS 1 2HZ LYS 1 -6.904 10.910 13.289 13 3HZ LYS 1 3HZ LYS 1 -7.409 9.631 12.408 14 H VAL 2 H VAL 2 -5.599 6.507 10.063 15 HA VAL 2 HA VAL 2 -2.755 5.881 10.424 16 HB VAL 2 HB VAL 2 -4.826 6.659 12.454 17 1HG1 VAL 2 1HG1 VAL 2 -3.052 5.812 14.160 18 2HG1 VAL 2 2HG1 VAL 2 -4.186 4.644 13.439 19 3HG1 VAL 2 3HG1 VAL 2 -2.518 4.757 12.829 20 1HG2 VAL 2 1HG2 VAL 2 -1.879 7.352 12.318 21 2HG2 VAL 2 2HG2 VAL 2 -3.138 8.290 11.478 22 3HG2 VAL 2 3HG2 VAL 2 -3.161 8.159 13.253 23 H TYR 3 H TYR 3 -2.290 3.710 10.523 24 HA TYR 3 HA TYR 3 -4.328 1.820 11.225 25 1HB TYR 3 1HB TYR 3 -3.313 2.364 8.389 26 2HB TYR 3 2HB TYR 3 -3.788 0.734 8.820 27 HD1 TYR 3 1HD TYR 3 -4.985 4.171 8.253 28 HD2 TYR 3 2HD TYR 3 -6.127 0.153 9.176 29 HE1 TYR 3 1HE TYR 3 -7.410 4.737 7.746 30 HE2 TYR 3 2HE TYR 3 -8.549 0.733 8.665 31 HH TYR 3 HH TYR 3 -9.411 3.906 7.381 32 H GLU 4 H GLU 4 -3.217 0.419 12.486 33 HA GLU 4 HA GLU 4 -0.408 0.057 11.882 34 1HB GLU 4 1HB GLU 4 -0.248 -0.896 14.147 35 2HB GLU 4 2HB GLU 4 -1.027 0.673 14.198 36 1HG GLU 4 1HG GLU 4 -3.050 -1.372 13.784 37 2HG GLU 4 2HG GLU 4 -2.053 -1.827 15.150 38 H ARG 5 H ARG 5 0.413 -2.324 12.408 39 HA ARG 5 HA ARG 5 -0.223 -3.961 10.495 40 1HB ARG 5 1HB ARG 5 0.171 -5.881 12.360 41 2HB ARG 5 2HB ARG 5 1.474 -4.846 11.810 42 1HG ARG 5 1HG ARG 5 -0.030 -3.532 13.948 43 2HG ARG 5 2HG ARG 5 0.503 -5.118 14.468 44 1HD ARG 5 1HD ARG 5 2.765 -4.567 14.328 45 2HD ARG 5 2HD ARG 5 2.525 -3.441 13.006 46 HE ARG 5 HE ARG 5 1.232 -2.146 15.029 47 1HH1 ARG 5 2HH2 ARG 5 4.393 -3.687 14.910 48 2HH1 ARG 5 1HH2 ARG 5 5.094 -2.632 16.092 49 1HH2 ARG 5 2HH1 ARG 5 2.156 -0.753 16.588 50 2HH2 ARG 5 1HH1 ARG 5 3.813 -0.952 17.052 51 H CYS 6 H CYS 6 -1.832 -4.160 13.762 52 HA CYS 6 HA CYS 6 -3.630 -6.122 13.177 53 1HB CYS 6 1HB CYS 6 -3.995 -3.720 14.979 54 2HB CYS 6 2HB CYS 6 -5.038 -5.129 14.970 55 H GLU 7 H GLU 7 -4.675 -2.660 13.478 56 HA GLU 7 HA GLU 7 -6.971 -2.706 12.268 57 1HB GLU 7 1HB GLU 7 -4.809 -0.713 12.444 58 2HB GLU 7 2HB GLU 7 -5.852 -0.436 11.063 59 1HG GLU 7 1HG GLU 7 -7.837 -0.763 12.734 60 2HG GLU 7 2HG GLU 7 -6.638 -0.578 13.998 61 H PHE 8 H PHE 8 -3.982 -2.043 10.290 62 HA PHE 8 HA PHE 8 -5.023 -2.131 7.829 63 1HB PHE 8 1HB PHE 8 -2.481 -2.656 9.195 64 2HB PHE 8 2HB PHE 8 -2.628 -3.764 7.844 65 HD1 PHE 8 1HD PHE 8 -3.074 -2.779 5.534 66 HD2 PHE 8 2HD PHE 8 -1.858 -0.420 8.845 67 HE1 PHE 8 1HE PHE 8 -2.322 -0.968 3.968 68 HE2 PHE 8 2HE PHE 8 -1.106 1.391 7.279 69 HZ PHE 8 HZ PHE 8 -1.347 1.095 4.858 70 H ALA 9 H ALA 9 -3.852 -5.062 9.639 71 HA ALA 9 HA ALA 9 -4.507 -6.925 7.724 72 1HB ALA 9 1HB ALA 9 -4.900 -8.294 10.040 73 2HB ALA 9 2HB ALA 9 -3.291 -7.880 9.404 74 3HB ALA 9 3HB ALA 9 -4.036 -6.868 10.663 75 H ARG 10 H ARG 10 -6.509 -5.746 10.519 76 HA ARG 10 HA ARG 10 -8.690 -7.266 10.054 77 1HB ARG 10 1HB ARG 10 -8.133 -5.432 11.894 78 2HB ARG 10 2HB ARG 10 -9.005 -4.347 10.829 79 1HG ARG 10 1HG ARG 10 -10.838 -6.295 10.855 80 2HG ARG 10 2HG ARG 10 -10.035 -6.751 12.344 81 1HD ARG 10 1HD ARG 10 -11.703 -5.255 13.100 82 2HD ARG 10 2HD ARG 10 -10.285 -4.229 13.020 83 HE ARG 10 HE ARG 10 -11.793 -4.265 10.513 84 1HH1 ARG 10 2HH2 ARG 10 -11.546 -2.770 13.689 85 2HH1 ARG 10 1HH2 ARG 10 -12.357 -1.317 13.209 86 1HH2 ARG 10 2HH1 ARG 10 -12.863 -2.349 9.880 87 2HH2 ARG 10 1HH1 ARG 10 -13.112 -1.076 11.028 88 H THR 11 H THR 11 -8.103 -3.880 8.837 89 HA THR 11 HA THR 11 -10.387 -3.682 7.280 90 HB THR 11 HB THR 11 -7.594 -2.449 7.097 91 HG1 THR 11 1HG THR 11 -9.191 -2.141 8.949 92 1HG2 THR 11 1HG2 THR 11 -8.378 -1.829 4.972 93 2HG2 THR 11 2HG2 THR 11 -10.084 -2.021 5.439 94 3HG2 THR 11 3HG2 THR 11 -9.173 -0.585 5.964 95 H LEU 12 H LEU 12 -7.077 -4.777 6.286 96 HA LEU 12 HA LEU 12 -7.589 -5.235 3.658 97 1HB LEU 12 1HB LEU 12 -5.591 -5.858 5.538 98 2HB LEU 12 2HB LEU 12 -6.000 -7.375 4.761 99 HG LEU 12 HG LEU 12 -5.775 -5.850 2.561 100 1HD1 LEU 12 1HD1 LEU 12 -3.967 -4.535 4.603 101 2HD1 LEU 12 2HD1 LEU 12 -3.792 -4.356 2.840 102 3HD1 LEU 12 3HD1 LEU 12 -5.269 -3.780 3.651 103 1HD2 LEU 12 1HD2 LEU 12 -3.635 -7.308 4.112 104 2HD2 LEU 12 2HD2 LEU 12 -4.591 -7.872 2.721 105 3HD2 LEU 12 3HD2 LEU 12 -3.343 -6.624 2.495 106 H LYS 13 H LYS 13 -8.154 -7.527 6.414 107 HA LYS 13 HA LYS 13 -9.295 -9.504 4.763 108 1HB LYS 13 1HB LYS 13 -8.245 -9.721 7.100 109 2HB LYS 13 2HB LYS 13 -9.787 -9.169 7.725 110 1HG LYS 13 1HG LYS 13 -10.715 -11.075 6.041 111 2HG LYS 13 2HG LYS 13 -9.118 -11.741 6.311 112 1HD LYS 13 1HD LYS 13 -10.463 -10.812 8.794 113 2HD LYS 13 2HD LYS 13 -11.306 -12.114 7.980 114 1HE LYS 13 1HE LYS 13 -8.410 -12.611 8.048 115 2HE LYS 13 2HE LYS 13 -9.045 -12.356 9.662 116 1HZ LYS 13 1HZ LYS 13 -9.687 -14.443 7.764 117 2HZ LYS 13 2HZ LYS 13 -9.485 -14.535 9.382 118 3HZ LYS 13 3HZ LYS 13 -10.880 -13.953 8.765 119 H ARG 14 H ARG 14 -10.510 -6.564 6.323 120 HA ARG 14 HA ARG 14 -13.211 -7.326 6.132 121 1HB ARG 14 1HB ARG 14 -12.282 -5.570 7.714 122 2HB ARG 14 2HB ARG 14 -12.008 -4.519 6.339 123 1HG ARG 14 1HG ARG 14 -14.291 -4.136 5.986 124 2HG ARG 14 2HG ARG 14 -14.770 -5.676 6.670 125 1HD ARG 14 1HD ARG 14 -13.641 -4.488 8.883 126 2HD ARG 14 2HD ARG 14 -14.242 -3.073 8.042 127 HE ARG 14 HE ARG 14 -16.174 -5.289 8.238 128 1HH1 ARG 14 2HH2 ARG 14 -14.960 -2.330 9.704 129 2HH1 ARG 14 1HH2 ARG 14 -16.403 -2.038 10.616 130 1HH2 ARG 14 2HH1 ARG 14 -18.079 -4.905 9.441 131 2HH2 ARG 14 1HH1 ARG 14 -18.189 -3.512 10.466 132 H ASN 15 H ASN 15 -10.811 -5.960 3.952 133 HA ASN 15 HA ASN 15 -12.808 -4.909 2.183 134 1HB ASN 15 1HB ASN 15 -10.171 -4.237 2.678 135 2HB ASN 15 2HB ASN 15 -9.980 -5.219 1.239 136 1HD2 ASN 15 1HD2 ASN 15 -10.897 -2.222 2.534 137 2HD2 ASN 15 2HD2 ASN 15 -11.464 -1.442 1.095 138 H GLY 16 H GLY 16 -10.470 -7.634 2.496 139 1HA GLY 16 1HA GLY 16 -11.161 -9.774 1.617 140 2HA GLY 16 2HA GLY 16 -11.790 -8.954 0.203 141 H MET 17 H MET 17 -8.662 -8.491 1.984 142 HA MET 17 HA MET 17 -7.336 -9.293 -0.488 143 1HB MET 17 1HB MET 17 -7.392 -6.718 0.629 144 2HB MET 17 2HB MET 17 -5.891 -7.362 1.265 145 1HG MET 17 1HG MET 17 -5.493 -6.223 -0.898 146 2HG MET 17 2HG MET 17 -5.132 -7.933 -1.036 147 1HE MET 17 1HE MET 17 -7.829 -5.133 -2.677 148 2HE MET 17 2HE MET 17 -9.151 -6.114 -1.999 149 3HE MET 17 3HE MET 17 -7.869 -5.490 -0.933 150 H ALA 18 H ALA 18 -7.256 -9.047 3.095 151 HA ALA 18 HA ALA 18 -4.802 -10.137 3.612 152 1HB ALA 18 1HB ALA 18 -7.483 -10.298 5.017 153 2HB ALA 18 2HB ALA 18 -6.015 -11.027 5.712 154 3HB ALA 18 3HB ALA 18 -6.081 -9.274 5.410 155 H GLY 19 H GLY 19 -3.906 -11.918 2.691 156 1HA GLY 19 1HA GLY 19 -3.624 -14.153 2.361 157 2HA GLY 19 2HA GLY 19 -5.226 -14.462 3.000 158 H TYR 20 H TYR 20 -4.485 -12.125 0.370 159 HA TYR 20 HA TYR 20 -6.511 -12.910 -1.285 160 1HB TYR 20 1HB TYR 20 -4.707 -10.944 -1.264 161 2HB TYR 20 2HB TYR 20 -3.711 -12.044 -2.197 162 HD1 TYR 20 1HD TYR 20 -7.356 -11.125 -2.321 163 HD2 TYR 20 2HD TYR 20 -3.642 -11.417 -4.425 164 HE1 TYR 20 1HE TYR 20 -8.498 -10.357 -4.458 165 HE2 TYR 20 2HE TYR 20 -4.797 -10.647 -6.555 166 HH TYR 20 HH TYR 20 -8.040 -10.696 -6.964 167 H TYR 21 H TYR 21 -5.772 -13.591 -3.778 168 HA TYR 21 HA TYR 21 -5.739 -16.222 -3.954 169 1HB TYR 21 1HB TYR 21 -4.827 -13.890 -5.513 170 2HB TYR 21 2HB TYR 21 -3.811 -15.268 -5.885 171 HD1 TYR 21 1HD TYR 21 -4.471 -16.678 -7.609 172 HD2 TYR 21 2HD TYR 21 -7.456 -14.430 -5.526 173 HE1 TYR 21 1HE TYR 21 -6.250 -17.549 -9.204 174 HE2 TYR 21 2HE TYR 21 -9.224 -15.307 -7.127 175 HH TYR 21 HH TYR 21 -8.315 -17.379 -9.857 176 H GLY 22 H GLY 22 -2.712 -14.240 -3.666 177 1HA GLY 22 1HA GLY 22 -1.341 -16.707 -2.780 178 2HA GLY 22 2HA GLY 22 -0.604 -15.556 -3.876 179 H VAL 23 H VAL 23 -0.874 -13.099 -2.977 180 HA VAL 23 HA VAL 23 0.846 -12.756 -0.948 181 HB VAL 23 HB VAL 23 -1.573 -11.034 -1.527 182 1HG1 VAL 23 1HG1 VAL 23 -0.595 -10.203 0.451 183 2HG1 VAL 23 2HG1 VAL 23 1.059 -10.502 -0.135 184 3HG1 VAL 23 3HG1 VAL 23 0.084 -9.195 -0.849 185 1HG2 VAL 23 1HG2 VAL 23 0.986 -11.496 -3.002 186 2HG2 VAL 23 2HG2 VAL 23 -0.643 -11.128 -3.616 187 3HG2 VAL 23 3HG2 VAL 23 0.358 -9.832 -2.921 188 H SER 24 H SER 24 0.919 -13.096 1.221 189 HA SER 24 HA SER 24 -1.498 -14.094 2.421 190 1HB SER 24 1HB SER 24 1.045 -14.965 2.615 191 2HB SER 24 2HB SER 24 1.079 -13.833 3.953 192 HG SER 24 HG SER 24 -0.547 -16.179 3.613 193 H LEU 25 H LEU 25 -2.256 -13.270 4.555 194 HA LEU 25 HA LEU 25 -2.477 -10.493 4.573 195 1HB LEU 25 1HB LEU 25 -4.195 -11.798 5.511 196 2HB LEU 25 2HB LEU 25 -3.094 -12.653 6.573 197 HG LEU 25 HG LEU 25 -2.755 -10.622 7.904 198 1HD1 LEU 25 1HD1 LEU 25 -3.115 -8.616 7.035 199 2HD1 LEU 25 2HD1 LEU 25 -3.906 -9.333 5.610 200 3HD1 LEU 25 3HD1 LEU 25 -4.864 -8.944 7.058 201 1HD2 LEU 25 1HD2 LEU 25 -5.722 -10.777 7.753 202 2HD2 LEU 25 2HD2 LEU 25 -4.837 -12.293 8.048 203 3HD2 LEU 25 3HD2 LEU 25 -4.627 -10.912 9.151 204 H ALA 26 H ALA 26 -0.380 -12.756 6.455 205 HA ALA 26 HA ALA 26 0.748 -10.869 8.136 206 1HB ALA 26 1HB ALA 26 1.907 -13.412 6.926 207 2HB ALA 26 2HB ALA 26 2.598 -12.537 8.314 208 3HB ALA 26 3HB ALA 26 0.985 -13.280 8.443 209 H ASP 27 H ASP 27 1.677 -11.923 4.804 210 HA ASP 27 HA ASP 27 3.969 -10.344 4.723 211 1HB ASP 27 1HB ASP 27 2.200 -11.249 2.404 212 2HB ASP 27 2HB ASP 27 3.872 -10.741 2.275 213 H TRP 28 H TRP 28 0.499 -9.827 4.022 214 HA TRP 28 HA TRP 28 0.706 -7.494 2.508 215 1HB TRP 28 1HB TRP 28 -1.390 -8.910 4.038 216 2HB TRP 28 2HB TRP 28 -1.656 -7.193 3.802 217 HD1 TRP 28 HD TRP 28 -2.864 -10.082 2.222 218 HE1 TRP 28 1HE TRP 28 -3.295 -9.920 -0.376 219 HE3 TRP 28 3HE TRP 28 0.007 -5.953 1.472 220 HZ2 TRP 28 2HZ TRP 28 -2.407 -8.124 -2.408 221 HZ3 TRP 28 3HZ TRP 28 0.171 -5.059 -0.850 222 HH2 TRP 28 HH TRP 28 -0.978 -6.075 -2.753 223 H VAL 29 H VAL 29 0.159 -8.003 6.071 224 HA VAL 29 HA VAL 29 0.269 -5.300 6.735 225 HB VAL 29 HB VAL 29 0.686 -7.879 8.221 226 1HG1 VAL 29 1HG1 VAL 29 1.009 -5.063 9.283 227 2HG1 VAL 29 2HG1 VAL 29 0.576 -6.437 10.329 228 3HG1 VAL 29 3HG1 VAL 29 2.119 -6.445 9.442 229 1HG2 VAL 29 1HG2 VAL 29 -1.538 -6.041 7.663 230 2HG2 VAL 29 2HG2 VAL 29 -1.556 -7.757 8.138 231 3HG2 VAL 29 3HG2 VAL 29 -1.396 -6.490 9.379 232 H CYS 30 H CYS 30 2.830 -7.873 6.858 233 HA CYS 30 HA CYS 30 4.862 -6.297 7.780 234 1HB CYS 30 1HB CYS 30 6.204 -8.052 7.364 235 2HB CYS 30 2HB CYS 30 4.668 -8.870 7.151 236 H LEU 31 H LEU 31 3.741 -6.910 4.384 237 HA LEU 31 HA LEU 31 5.669 -5.440 3.074 238 1HB LEU 31 1HB LEU 31 4.232 -6.893 1.884 239 2HB LEU 31 2HB LEU 31 2.792 -6.063 2.441 240 HG LEU 31 HG LEU 31 4.793 -4.564 0.779 241 1HD1 LEU 31 1HD1 LEU 31 3.175 -5.354 -1.174 242 2HD1 LEU 31 2HD1 LEU 31 4.639 -6.264 -0.730 243 3HD1 LEU 31 3HD1 LEU 31 3.046 -6.799 -0.145 244 1HD2 LEU 31 1HD2 LEU 31 3.191 -3.016 0.608 245 2HD2 LEU 31 2HD2 LEU 31 1.923 -4.223 0.289 246 3HD2 LEU 31 3HD2 LEU 31 2.412 -3.866 1.963 247 H ALA 32 H ALA 32 2.440 -4.362 4.333 248 HA ALA 32 HA ALA 32 2.798 -1.686 3.570 249 1HB ALA 32 1HB ALA 32 0.649 -2.937 4.182 250 2HB ALA 32 2HB ALA 32 1.119 -2.710 5.884 251 3HB ALA 32 3HB ALA 32 0.818 -1.295 4.847 252 H GLN 33 H GLN 33 4.006 -3.635 6.250 253 HA GLN 33 HA GLN 33 4.495 -1.489 7.984 254 1HB GLN 33 1HB GLN 33 4.395 -4.045 8.474 255 2HB GLN 33 2HB GLN 33 6.063 -4.092 7.939 256 1HG GLN 33 1HG GLN 33 5.940 -3.819 10.397 257 2HG GLN 33 2HG GLN 33 6.698 -2.422 9.656 258 1HE2 GLN 33 1HE2 GLN 33 3.412 -3.611 10.371 259 2HE2 GLN 33 2HE2 GLN 33 2.785 -2.137 11.028 260 H HIS 34 H HIS 34 6.635 -3.378 5.732 261 HA HIS 34 HA HIS 34 8.908 -1.844 6.228 262 1HB HIS 34 1HB HIS 34 8.610 -4.155 5.088 263 2HB HIS 34 2HB HIS 34 8.347 -3.241 3.617 264 HD1 HIS 34 1HD HIS 34 10.950 -5.004 5.107 265 HD2 HIS 34 2HD HIS 34 10.707 -1.117 3.549 266 HE1 HIS 34 1HE HIS 34 13.343 -4.295 4.576 267 HE2 HIS 34 2HE HIS 34 13.125 -1.922 3.572 268 H GLU 35 H GLU 35 6.039 -1.313 4.238 269 HA GLU 35 HA GLU 35 7.254 0.634 2.594 270 1HB GLU 35 1HB GLU 35 4.377 -0.160 3.158 271 2HB GLU 35 2HB GLU 35 4.759 1.189 2.107 272 1HG GLU 35 1HG GLU 35 5.924 -1.603 1.710 273 2HG GLU 35 2HG GLU 35 4.442 -1.072 0.940 274 H SER 36 H SER 36 4.878 0.800 5.347 275 HA SER 36 HA SER 36 6.139 2.899 6.580 276 1HB SER 36 1HB SER 36 4.319 3.709 4.380 277 2HB SER 36 2HB SER 36 3.972 4.496 5.908 278 HG SER 36 HG SER 36 6.507 4.466 4.507 279 H ASN 37 H ASN 37 2.745 1.972 5.624 280 HA ASN 37 HA ASN 37 0.994 1.446 6.790 281 1HB ASN 37 1HB ASN 37 2.981 -0.234 7.698 282 2HB ASN 37 2HB ASN 37 2.501 0.508 9.211 283 1HD2 ASN 37 1HD2 ASN 37 0.898 -0.372 10.267 284 2HD2 ASN 37 2HD2 ASN 37 -0.343 -1.397 9.628 285 H TYR 38 H TYR 38 0.446 1.389 9.635 286 HA TYR 38 HA TYR 38 -0.163 2.736 11.286 287 1HB TYR 38 1HB TYR 38 2.490 4.074 10.462 288 2HB TYR 38 2HB TYR 38 1.679 4.395 11.982 289 HD1 TYR 38 1HD TYR 38 4.539 3.205 11.319 290 HD2 TYR 38 2HD TYR 38 0.815 1.495 12.552 291 HE1 TYR 38 1HE TYR 38 5.777 1.264 12.395 292 HE2 TYR 38 2HE TYR 38 2.066 -0.441 13.623 293 HH TYR 38 HH TYR 38 4.697 -1.459 12.979 294 H ASN 39 H ASN 39 1.451 5.653 10.588 295 HA ASN 39 HA ASN 39 -1.056 6.814 9.828 296 1HB ASN 39 1HB ASN 39 1.620 8.254 10.142 297 2HB ASN 39 2HB ASN 39 0.017 8.945 10.300 298 1HD2 ASN 39 1HD2 ASN 39 1.319 9.608 12.313 299 2HD2 ASN 39 2HD2 ASN 39 1.090 8.642 13.732 300 H THR 40 H THR 40 -1.459 7.779 7.765 301 HA THR 40 HA THR 40 0.395 7.021 5.669 302 HB THR 40 HB THR 40 -1.488 7.408 4.236 303 HG1 THR 40 1HG THR 40 -1.977 9.554 4.996 304 1HG2 THR 40 1HG2 THR 40 -3.128 6.961 6.722 305 2HG2 THR 40 2HG2 THR 40 -3.181 6.098 5.166 306 3HG2 THR 40 3HG2 THR 40 -1.894 5.736 6.342 307 H ARG 41 H ARG 41 1.861 8.680 7.108 308 HA ARG 41 HA ARG 41 1.437 11.317 6.001 309 1HB ARG 41 1HB ARG 41 1.985 10.815 8.512 310 2HB ARG 41 2HB ARG 41 3.624 10.512 7.968 311 1HG ARG 41 1HG ARG 41 4.059 12.736 7.623 312 2HG ARG 41 2HG ARG 41 2.495 13.030 6.888 313 1HD ARG 41 1HD ARG 41 2.304 12.435 9.784 314 2HD ARG 41 2HD ARG 41 3.274 13.855 9.446 315 HE ARG 41 HE ARG 41 0.985 14.117 7.833 316 1HH1 ARG 41 2HH2 ARG 41 1.673 13.859 11.275 317 2HH1 ARG 41 1HH2 ARG 41 0.285 14.780 11.751 318 1HH2 ARG 41 2HH1 ARG 41 -0.846 15.332 8.461 319 2HH2 ARG 41 1HH1 ARG 41 -1.157 15.623 10.140 320 H ALA 42 H ALA 42 3.875 8.655 6.233 321 HA ALA 42 HA ALA 42 6.038 9.681 5.046 322 1HB ALA 42 1HB ALA 42 6.370 7.383 4.071 323 2HB ALA 42 2HB ALA 42 5.911 7.378 5.791 324 3HB ALA 42 3HB ALA 42 4.700 6.995 4.545 325 H THR 43 H THR 43 5.991 11.224 3.454 326 HA THR 43 HA THR 43 4.799 10.381 0.909 327 HB THR 43 HB THR 43 4.117 12.912 0.746 328 HG1 THR 43 1HG THR 43 4.336 13.975 2.701 329 1HG2 THR 43 1HG2 THR 43 2.168 11.651 0.995 330 2HG2 THR 43 2HG2 THR 43 2.809 10.755 2.392 331 3HG2 THR 43 3HG2 THR 43 2.197 12.413 2.603 332 H ASN 44 H ASN 44 5.963 10.880 -0.913 333 HA ASN 44 HA ASN 44 8.398 12.395 -0.396 334 1HB ASN 44 1HB ASN 44 8.227 9.639 -1.048 335 2HB ASN 44 2HB ASN 44 8.649 10.411 -2.564 336 1HD2 ASN 44 1HD2 ASN 44 10.215 8.660 -0.857 337 2HD2 ASN 44 2HD2 ASN 44 11.663 9.505 -0.424 338 H TYR 45 H TYR 45 7.417 14.300 -1.377 339 HA TYR 45 HA TYR 45 6.382 14.005 -4.084 340 1HB TYR 45 1HB TYR 45 5.270 16.003 -3.499 341 2HB TYR 45 2HB TYR 45 5.609 15.441 -1.874 342 HD1 TYR 45 1HD TYR 45 7.336 16.501 -0.508 343 HD2 TYR 45 2HD TYR 45 6.551 17.850 -4.491 344 HE1 TYR 45 1HE TYR 45 8.653 18.629 -0.055 345 HE2 TYR 45 2HE TYR 45 7.869 19.973 -4.025 346 HH TYR 45 HH TYR 45 9.838 20.534 -2.341 347 H ASN 46 H ASN 46 7.096 15.546 -5.791 348 HA ASN 46 HA ASN 46 9.588 16.841 -5.384 349 1HB ASN 46 1HB ASN 46 9.404 14.369 -7.180 350 2HB ASN 46 2HB ASN 46 10.700 15.542 -7.315 351 1HD2 ASN 46 1HD2 ASN 46 12.338 15.572 -5.885 352 2HD2 ASN 46 2HD2 ASN 46 12.546 14.452 -4.580 353 H ARG 47 H ARG 47 8.841 18.758 -6.348 354 HA ARG 47 HA ARG 47 7.060 18.635 -8.541 355 1HB ARG 47 1HB ARG 47 7.451 20.479 -6.607 356 2HB ARG 47 2HB ARG 47 8.523 21.175 -7.806 357 1HG ARG 47 1HG ARG 47 6.796 21.810 -9.183 358 2HG ARG 47 2HG ARG 47 5.888 20.338 -8.898 359 1HD ARG 47 1HD ARG 47 4.892 21.175 -6.910 360 2HD ARG 47 2HD ARG 47 6.141 22.380 -6.670 361 HE ARG 47 HE ARG 47 4.892 22.986 -9.142 362 1HH1 ARG 47 2HH2 ARG 47 4.030 22.856 -5.733 363 2HH1 ARG 47 1HH2 ARG 47 2.805 24.073 -5.865 364 1HH2 ARG 47 2HH1 ARG 47 3.275 24.592 -9.317 365 2HH2 ARG 47 1HH1 ARG 47 2.373 25.068 -7.917 366 H GLY 48 H GLY 48 10.557 19.095 -8.018 367 1HA GLY 48 1HA GLY 48 11.456 20.324 -10.253 368 2HA GLY 48 2HA GLY 48 12.271 18.976 -9.485 369 H ASP 49 H ASP 49 10.509 16.829 -9.961 370 HA ASP 49 HA ASP 49 10.597 16.750 -12.874 371 1HB ASP 49 1HB ASP 49 11.816 15.068 -10.971 372 2HB ASP 49 2HB ASP 49 10.411 14.154 -11.482 373 H GLN 50 H GLN 50 8.403 17.688 -10.965 374 HA GLN 50 HA GLN 50 6.316 17.254 -10.376 375 1HB GLN 50 1HB GLN 50 6.410 18.006 -12.878 376 2HB GLN 50 2HB GLN 50 5.949 16.358 -13.253 377 1HG GLN 50 1HG GLN 50 3.845 17.358 -13.087 378 2HG GLN 50 2HG GLN 50 4.043 16.764 -11.450 379 1HE2 GLN 50 1HE2 GLN 50 3.757 19.488 -13.503 380 2HE2 GLN 50 2HE2 GLN 50 3.815 20.744 -12.311 381 H SER 51 H SER 51 7.339 15.235 -9.166 382 HA SER 51 HA SER 51 5.608 13.043 -9.853 383 1HB SER 51 1HB SER 51 8.634 12.750 -9.617 384 2HB SER 51 2HB SER 51 7.525 11.394 -9.560 385 HG SER 51 HG SER 51 8.481 12.770 -11.747 386 H THR 52 H THR 52 5.141 11.675 -8.001 387 HA THR 52 HA THR 52 6.384 12.507 -5.482 388 HB THR 52 HB THR 52 3.451 12.649 -6.279 389 HG1 THR 52 1HG THR 52 4.070 14.743 -5.931 390 1HG2 THR 52 1HG2 THR 52 4.589 12.554 -3.435 391 2HG2 THR 52 2HG2 THR 52 2.903 12.925 -3.872 392 3HG2 THR 52 3HG2 THR 52 3.559 11.295 -4.156 393 H ASP 53 H ASP 53 5.758 10.960 -3.662 394 HA ASP 53 HA ASP 53 5.187 8.331 -4.725 395 1HB ASP 53 1HB ASP 53 7.415 8.638 -2.704 396 2HB ASP 53 2HB ASP 53 7.124 7.319 -3.820 397 H TYR 54 H TYR 54 3.715 7.315 -3.335 398 HA TYR 54 HA TYR 54 3.124 8.639 -0.827 399 1HB TYR 54 1HB TYR 54 1.996 6.285 -2.463 400 2HB TYR 54 2HB TYR 54 1.275 6.799 -0.952 401 HD1 TYR 54 1HD TYR 54 0.684 9.413 -0.849 402 HD2 TYR 54 2HD TYR 54 1.116 7.128 -4.441 403 HE1 TYR 54 1HE TYR 54 -0.729 11.110 -2.108 404 HE2 TYR 54 2HE TYR 54 -0.298 8.834 -5.687 405 HH TYR 54 HH TYR 54 -0.769 11.745 -4.843 406 H GLY 55 H GLY 55 4.124 8.063 1.031 407 1HA GLY 55 1HA GLY 55 5.808 5.849 1.286 408 2HA GLY 55 2HA GLY 55 5.152 6.817 2.592 409 H ILE 56 H ILE 56 2.406 6.388 2.456 410 HA ILE 56 HA ILE 56 1.827 4.328 3.923 411 HB ILE 56 HB ILE 56 0.167 5.865 3.109 412 1HG1 ILE 56 1HG1 ILE 56 -1.707 4.381 2.955 413 2HG1 ILE 56 2HG1 ILE 56 -0.715 3.073 2.342 414 1HG2 ILE 56 1HG2 ILE 56 0.635 4.515 0.455 415 2HG2 ILE 56 2HG2 ILE 56 -0.884 5.369 0.818 416 3HG2 ILE 56 3HG2 ILE 56 0.663 6.249 0.859 417 1HD1 ILE 56 1HD1 ILE 56 0.247 2.625 4.424 418 2HD1 ILE 56 2HD1 ILE 56 0.020 4.292 5.003 419 3HD1 ILE 56 3HD1 ILE 56 -1.369 3.182 4.919 420 H PHE 57 H PHE 57 2.523 4.054 0.401 421 HA PHE 57 HA PHE 57 3.187 1.271 0.862 422 1HB PHE 57 1HB PHE 57 0.793 2.342 -0.516 423 2HB PHE 57 2HB PHE 57 1.762 1.385 -1.619 424 HD1 PHE 57 1HD PHE 57 0.218 1.229 1.768 425 HD2 PHE 57 2HD PHE 57 1.526 -0.926 -1.646 426 HE1 PHE 57 1HE PHE 57 -0.782 -0.872 2.710 427 HE2 PHE 57 2HE PHE 57 0.525 -3.027 -0.704 428 HZ PHE 57 HZ PHE 57 -0.617 -2.974 1.463 429 H GLN 58 H GLN 58 4.652 3.819 0.285 430 HA GLN 58 HA GLN 58 5.999 4.736 -1.205 431 1HB GLN 58 1HB GLN 58 7.153 2.654 -0.170 432 2HB GLN 58 2HB GLN 58 6.912 1.884 -1.726 433 1HG GLN 58 1HG GLN 58 9.170 3.031 -1.435 434 2HG GLN 58 2HG GLN 58 8.278 3.512 -2.865 435 1HE2 GLN 58 1HE2 GLN 58 7.539 4.430 0.457 436 2HE2 GLN 58 2HE2 GLN 58 7.864 6.125 0.312 437 H ILE 59 H ILE 59 3.670 4.784 -2.509 438 HA ILE 59 HA ILE 59 4.111 3.466 -5.085 439 HB ILE 59 HB ILE 59 1.707 4.482 -3.626 440 1HG1 ILE 59 1HG1 ILE 59 2.160 1.929 -5.192 441 2HG1 ILE 59 2HG1 ILE 59 2.523 2.095 -3.486 442 1HG2 ILE 59 1HG2 ILE 59 0.972 5.467 -5.504 443 2HG2 ILE 59 2HG2 ILE 59 2.157 4.632 -6.535 444 3HG2 ILE 59 3HG2 ILE 59 0.661 3.801 -6.048 445 1HD1 ILE 59 1HD1 ILE 59 -0.140 3.136 -3.975 446 2HD1 ILE 59 2HD1 ILE 59 0.000 1.507 -4.680 447 3HD1 ILE 59 3HD1 ILE 59 0.350 1.762 -2.954 448 H ASN 60 H ASN 60 4.531 4.621 -6.935 449 HA ASN 60 HA ASN 60 5.346 7.296 -6.541 450 1HB ASN 60 1HB ASN 60 5.649 5.207 -8.551 451 2HB ASN 60 2HB ASN 60 5.157 6.689 -9.349 452 1HD2 ASN 60 1HD2 ASN 60 7.286 6.546 -10.305 453 2HD2 ASN 60 2HD2 ASN 60 8.660 7.203 -9.479 454 H SER 61 H SER 61 4.137 9.169 -6.990 455 HA SER 61 HA SER 61 1.443 8.730 -7.903 456 1HB SER 61 1HB SER 61 1.204 10.225 -6.196 457 2HB SER 61 2HB SER 61 2.871 10.755 -6.295 458 HG SER 61 HG SER 61 1.439 12.480 -6.866 459 H ARG 62 H ARG 62 4.308 9.017 -9.442 460 HA ARG 62 HA ARG 62 3.567 11.108 -11.253 461 1HB ARG 62 1HB ARG 62 5.762 10.497 -12.372 462 2HB ARG 62 2HB ARG 62 5.930 10.933 -10.683 463 1HG ARG 62 1HG ARG 62 6.811 8.902 -10.195 464 2HG ARG 62 2HG ARG 62 5.396 8.092 -10.836 465 1HD ARG 62 1HD ARG 62 6.822 7.278 -12.430 466 2HD ARG 62 2HD ARG 62 6.655 8.855 -13.175 467 HE ARG 62 HE ARG 62 8.683 9.101 -11.212 468 1HH1 ARG 62 2HH2 ARG 62 8.147 7.342 -14.212 469 2HH1 ARG 62 1HH2 ARG 62 9.828 7.264 -14.616 470 1HH2 ARG 62 2HH1 ARG 62 10.903 8.998 -11.745 471 2HH2 ARG 62 1HH1 ARG 62 11.407 8.211 -13.204 472 H TYR 63 H TYR 63 3.441 7.591 -10.956 473 HA TYR 63 HA TYR 63 2.617 7.395 -13.773 474 1HB TYR 63 1HB TYR 63 4.469 5.988 -12.075 475 2HB TYR 63 2HB TYR 63 3.100 4.907 -12.242 476 HD1 TYR 63 1HD TYR 63 6.197 5.257 -13.440 477 HD2 TYR 63 2HD TYR 63 2.202 5.221 -14.972 478 HE1 TYR 63 1HE TYR 63 7.065 4.499 -15.707 479 HE2 TYR 63 2HE TYR 63 3.084 4.463 -17.233 480 HH TYR 63 HH TYR 63 6.388 3.481 -17.641 481 H TRP 64 H TRP 64 1.770 6.780 -10.362 482 HA TRP 64 HA TRP 64 -0.806 5.705 -11.279 483 1HB TRP 64 1HB TRP 64 0.682 5.353 -8.674 484 2HB TRP 64 2HB TRP 64 -0.981 4.860 -8.921 485 HD1 TRP 64 HD TRP 64 -1.377 2.587 -10.299 486 HE1 TRP 64 1HE TRP 64 0.145 0.635 -11.212 487 HE3 TRP 64 3HE TRP 64 3.039 5.031 -9.675 488 HZ2 TRP 64 2HZ TRP 64 2.962 0.339 -11.563 489 HZ3 TRP 64 3HZ TRP 64 5.128 3.839 -10.328 490 HH2 TRP 64 HH TRP 64 5.138 1.572 -11.243 491 H CYS 65 H CYS 65 -2.743 6.557 -10.195 492 HA CYS 65 HA CYS 65 -4.021 8.169 -9.435 493 1HB CYS 65 1HB CYS 65 -3.594 8.977 -7.387 494 2HB CYS 65 2HB CYS 65 -2.278 7.821 -7.445 495 H ASN 66 H ASN 66 -4.641 10.304 -10.091 496 HA ASN 66 HA ASN 66 -2.974 11.368 -12.124 497 1HB ASN 66 1HB ASN 66 -5.345 11.453 -12.544 498 2HB ASN 66 2HB ASN 66 -5.690 12.108 -10.955 499 1HD2 ASN 66 1HD2 ASN 66 -6.859 13.785 -11.922 500 2HD2 ASN 66 2HD2 ASN 66 -6.090 15.156 -12.650 501 H ASP 67 H ASP 67 -4.852 13.522 -9.983 502 HA ASP 67 HA ASP 67 -2.941 14.265 -8.197 503 1HB ASP 67 1HB ASP 67 -1.563 14.996 -10.108 504 2HB ASP 67 2HB ASP 67 -2.892 15.941 -10.749 505 H GLY 68 H GLY 68 -5.297 15.571 -10.633 506 1HA GLY 68 1HA GLY 68 -7.392 16.409 -10.199 507 2HA GLY 68 2HA GLY 68 -7.028 16.494 -8.487 508 H LYS 69 H LYS 69 -4.344 17.754 -10.105 509 HA LYS 69 HA LYS 69 -5.482 20.436 -10.293 510 1HB LYS 69 1HB LYS 69 -4.620 20.218 -8.002 511 2HB LYS 69 2HB LYS 69 -3.055 19.725 -8.618 512 1HG LYS 69 1HG LYS 69 -2.769 21.897 -9.758 513 2HG LYS 69 2HG LYS 69 -4.386 22.390 -9.296 514 1HD LYS 69 1HD LYS 69 -2.628 21.521 -7.039 515 2HD LYS 69 2HD LYS 69 -2.126 22.990 -7.852 516 1HE LYS 69 1HE LYS 69 -4.716 23.630 -7.616 517 2HE LYS 69 2HE LYS 69 -4.678 22.446 -6.326 518 1HZ LYS 69 1HZ LYS 69 -2.562 23.781 -5.676 519 2HZ LYS 69 2HZ LYS 69 -3.290 24.982 -6.509 520 3HZ LYS 69 3HZ LYS 69 -4.044 24.301 -5.230 521 H THR 70 H THR 70 -2.644 18.246 -10.767 522 HA THR 70 HA THR 70 -1.952 19.860 -13.128 523 HB THR 70 HB THR 70 -0.376 18.101 -11.199 524 HG1 THR 70 1HG THR 70 -0.485 20.333 -10.679 525 1HG2 THR 70 1HG2 THR 70 0.166 18.684 -14.070 526 2HG2 THR 70 2HG2 THR 70 1.465 19.197 -12.967 527 3HG2 THR 70 3HG2 THR 70 0.940 17.496 -12.994 528 HA PRO 71 HA PRO 71 -3.629 16.377 -15.203 529 1HB PRO 71 1HB PRO 71 -4.124 17.653 -17.568 530 2HB PRO 71 2HB PRO 71 -5.278 17.593 -16.252 531 1HG PRO 71 1HG PRO 71 -3.585 19.850 -17.130 532 2HG PRO 71 2HG PRO 71 -5.018 19.881 -16.123 533 1HD PRO 71 1HD PRO 71 -2.299 20.125 -15.245 534 2HD PRO 71 2HD PRO 71 -3.725 20.040 -14.230 535 H ARG 72 H ARG 72 -1.066 16.132 -14.711 536 HA ARG 72 HA ARG 72 -0.003 15.789 -17.401 537 1HB ARG 72 1HB ARG 72 1.089 17.249 -15.185 538 2HB ARG 72 2HB ARG 72 2.089 15.822 -15.370 539 1HG ARG 72 1HG ARG 72 3.029 17.558 -16.782 540 2HG ARG 72 2HG ARG 72 2.318 16.351 -17.835 541 1HD ARG 72 1HD ARG 72 0.148 17.963 -17.547 542 2HD ARG 72 2HD ARG 72 1.400 19.158 -17.268 543 HE ARG 72 HE ARG 72 0.727 17.967 -19.805 544 1HH1 ARG 72 2HH2 ARG 72 3.494 19.088 -17.940 545 2HH1 ARG 72 1HH2 ARG 72 4.455 19.438 -19.338 546 1HH2 ARG 72 2HH1 ARG 72 1.996 18.428 -21.649 547 2HH2 ARG 72 1HH1 ARG 72 3.597 19.060 -21.462 548 H ALA 73 H ALA 73 0.255 14.644 -13.953 549 HA ALA 73 HA ALA 73 1.613 12.349 -14.251 550 1HB ALA 73 1HB ALA 73 1.001 12.184 -12.096 551 2HB ALA 73 2HB ALA 73 -0.141 13.526 -12.350 552 3HB ALA 73 3HB ALA 73 -0.681 11.843 -12.568 553 H VAL 74 H VAL 74 1.291 10.264 -15.028 554 HA VAL 74 HA VAL 74 -1.003 9.984 -16.788 555 HB VAL 74 HB VAL 74 1.177 9.540 -17.700 556 1HG1 VAL 74 1HG1 VAL 74 2.528 8.995 -15.843 557 2HG1 VAL 74 2HG1 VAL 74 1.469 7.650 -15.357 558 3HG1 VAL 74 3HG1 VAL 74 2.469 7.510 -16.822 559 1HG2 VAL 74 1HG2 VAL 74 -0.784 8.140 -18.408 560 2HG2 VAL 74 2HG2 VAL 74 0.801 7.368 -18.657 561 3HG2 VAL 74 3HG2 VAL 74 -0.220 6.879 -17.284 562 H ASN 75 H ASN 75 -2.267 10.011 -14.564 563 HA ASN 75 HA ASN 75 -2.226 8.162 -12.707 564 1HB ASN 75 1HB ASN 75 -4.735 8.288 -12.637 565 2HB ASN 75 2HB ASN 75 -4.011 9.867 -12.869 566 1HD2 ASN 75 1HD2 ASN 75 -6.666 9.006 -13.533 567 2HD2 ASN 75 2HD2 ASN 75 -6.895 9.212 -15.237 568 H ALA 76 H ALA 76 -1.513 6.032 -13.219 569 HA ALA 76 HA ALA 76 -2.828 4.629 -15.395 570 1HB ALA 76 1HB ALA 76 -0.766 3.401 -13.584 571 2HB ALA 76 2HB ALA 76 -1.006 3.197 -15.335 572 3HB ALA 76 3HB ALA 76 -0.263 4.687 -14.706 573 H CYS 77 H CYS 77 -3.176 5.162 -12.005 574 HA CYS 77 HA CYS 77 -4.373 2.573 -11.542 575 1HB CYS 77 1HB CYS 77 -2.903 3.818 -9.876 576 2HB CYS 77 2HB CYS 77 -4.254 4.906 -9.632 577 H GLY 78 H GLY 78 -5.174 5.902 -12.397 578 1HA GLY 78 1HA GLY 78 -7.122 6.837 -13.034 579 2HA GLY 78 2HA GLY 78 -7.861 5.248 -13.016 580 H ILE 79 H ILE 79 -6.406 7.445 -10.498 581 HA ILE 79 HA ILE 79 -8.974 7.608 -9.192 582 HB ILE 79 HB ILE 79 -8.513 6.484 -7.275 583 1HG1 ILE 79 1HG1 ILE 79 -6.379 7.763 -6.874 584 2HG1 ILE 79 2HG1 ILE 79 -6.406 6.119 -6.266 585 1HG2 ILE 79 1HG2 ILE 79 -7.400 4.309 -7.835 586 2HG2 ILE 79 2HG2 ILE 79 -8.676 4.811 -8.970 587 3HG2 ILE 79 3HG2 ILE 79 -6.963 5.006 -9.414 588 1HD1 ILE 79 1HD1 ILE 79 -4.849 5.363 -7.805 589 2HD1 ILE 79 2HD1 ILE 79 -5.386 6.500 -9.065 590 3HD1 ILE 79 3HD1 ILE 79 -4.353 7.070 -7.733 591 H ASN 80 H ASN 80 -8.849 9.176 -7.301 592 HA ASN 80 HA ASN 80 -7.353 11.399 -8.185 593 1HB ASN 80 1HB ASN 80 -9.317 10.809 -5.967 594 2HB ASN 80 2HB ASN 80 -8.307 12.229 -5.779 595 1HD2 ASN 80 1HD2 ASN 80 -10.577 10.581 -7.916 596 2HD2 ASN 80 2HD2 ASN 80 -11.184 11.979 -8.738 597 H CYS 81 H CYS 81 -5.306 12.030 -7.443 598 HA CYS 81 HA CYS 81 -3.716 10.388 -5.971 599 1HB CYS 81 1HB CYS 81 -3.618 13.323 -6.577 600 2HB CYS 81 2HB CYS 81 -2.434 12.623 -5.492 601 H SER 82 H SER 82 -5.798 13.151 -4.917 602 HA SER 82 HA SER 82 -4.997 13.287 -2.318 603 1HB SER 82 1HB SER 82 -7.270 14.167 -3.919 604 2HB SER 82 2HB SER 82 -7.808 13.715 -2.314 605 HG SER 82 HG SER 82 -6.803 16.023 -2.919 606 H ALA 83 H ALA 83 -6.906 10.833 -3.983 607 HA ALA 83 HA ALA 83 -8.269 9.770 -1.783 608 1HB ALA 83 1HB ALA 83 -8.750 7.955 -3.238 609 2HB ALA 83 2HB ALA 83 -8.596 9.371 -4.306 610 3HB ALA 83 3HB ALA 83 -7.258 8.205 -4.176 611 H LEU 84 H LEU 84 -4.909 9.903 -2.550 612 HA LEU 84 HA LEU 84 -4.382 7.583 -0.837 613 1HB LEU 84 1HB LEU 84 -2.484 9.025 -2.690 614 2HB LEU 84 2HB LEU 84 -2.181 7.538 -1.813 615 HG LEU 84 HG LEU 84 -4.531 7.436 -3.598 616 1HD1 LEU 84 1HD1 LEU 84 -2.624 8.888 -4.724 617 2HD1 LEU 84 2HD1 LEU 84 -1.913 7.285 -5.027 618 3HD1 LEU 84 3HD1 LEU 84 -3.539 7.667 -5.641 619 1HD2 LEU 84 1HD2 LEU 84 -2.125 5.645 -3.163 620 2HD2 LEU 84 2HD2 LEU 84 -3.743 5.460 -2.446 621 3HD2 LEU 84 3HD2 LEU 84 -3.520 5.263 -4.200 622 H LEU 85 H LEU 85 -5.200 10.559 -0.241 623 HA LEU 85 HA LEU 85 -3.148 10.877 1.812 624 1HB LEU 85 1HB LEU 85 -3.237 12.461 -0.470 625 2HB LEU 85 2HB LEU 85 -4.060 13.424 0.740 626 HG LEU 85 HG LEU 85 -2.044 13.026 2.251 627 1HD1 LEU 85 1HD1 LEU 85 -1.222 11.500 -0.101 628 2HD1 LEU 85 2HD1 LEU 85 -0.007 12.692 0.417 629 3HD1 LEU 85 3HD1 LEU 85 -0.602 11.469 1.567 630 1HD2 LEU 85 1HD2 LEU 85 -2.551 15.140 1.024 631 2HD2 LEU 85 2HD2 LEU 85 -0.818 14.862 1.323 632 3HD2 LEU 85 3HD2 LEU 85 -1.500 14.570 -0.295 633 H GLN 86 H GLN 86 -5.891 9.720 1.722 634 HA GLN 86 HA GLN 86 -7.240 11.735 3.342 635 1HB GLN 86 1HB GLN 86 -8.584 9.279 2.176 636 2HB GLN 86 2HB GLN 86 -9.326 10.774 2.710 637 1HG GLN 86 1HG GLN 86 -7.769 11.841 0.803 638 2HG GLN 86 2HG GLN 86 -7.811 10.211 0.159 639 1HE2 GLN 86 1HE2 GLN 86 -9.766 9.278 -0.470 640 2HE2 GLN 86 2HE2 GLN 86 -11.177 10.216 -0.831 641 H ASP 87 H ASP 87 -9.123 9.665 4.418 642 HA ASP 87 HA ASP 87 -7.361 8.764 6.502 643 1HB ASP 87 1HB ASP 87 -9.957 7.845 7.067 644 2HB ASP 87 2HB ASP 87 -9.206 9.293 7.710 645 H ASP 88 H ASP 88 -10.270 7.271 4.886 646 HA ASP 88 HA ASP 88 -9.648 4.698 5.400 647 1HB ASP 88 1HB ASP 88 -10.904 5.682 2.797 648 2HB ASP 88 2HB ASP 88 -11.151 4.116 3.544 649 H ILE 89 H ILE 89 -8.444 3.040 4.269 650 HA ILE 89 HA ILE 89 -6.494 4.110 2.376 651 HB ILE 89 HB ILE 89 -5.124 2.257 2.949 652 1HG1 ILE 89 1HG1 ILE 89 -7.171 1.135 4.845 653 2HG1 ILE 89 2HG1 ILE 89 -7.222 0.700 3.148 654 1HG2 ILE 89 1HG2 ILE 89 -6.243 4.006 5.018 655 2HG2 ILE 89 2HG2 ILE 89 -5.479 2.532 5.661 656 3HG2 ILE 89 3HG2 ILE 89 -4.550 3.631 4.614 657 1HD1 ILE 89 1HD1 ILE 89 -5.487 -0.733 3.403 658 2HD1 ILE 89 2HD1 ILE 89 -4.477 0.548 4.111 659 3HD1 ILE 89 3HD1 ILE 89 -5.552 -0.414 5.153 660 H THR 90 H THR 90 -9.527 2.957 2.186 661 HA THR 90 HA THR 90 -9.608 0.725 0.657 662 HB THR 90 HB THR 90 -11.552 2.102 1.470 663 HG1 THR 90 1HG THR 90 -12.054 0.636 -0.200 664 1HG2 THR 90 1HG2 THR 90 -10.967 4.379 0.857 665 2HG2 THR 90 2HG2 THR 90 -10.638 3.903 -0.826 666 3HG2 THR 90 3HG2 THR 90 -12.309 3.908 -0.213 667 H ALA 91 H ALA 91 -8.483 3.965 -0.342 668 HA ALA 91 HA ALA 91 -8.369 3.286 -3.099 669 1HB ALA 91 1HB ALA 91 -8.036 5.503 -3.258 670 2HB ALA 91 2HB ALA 91 -8.125 5.587 -1.482 671 3HB ALA 91 3HB ALA 91 -6.549 5.400 -2.285 672 H ALA 92 H ALA 92 -6.055 3.287 -0.332 673 HA ALA 92 HA ALA 92 -3.775 2.693 -1.821 674 1HB ALA 92 1HB ALA 92 -2.800 2.707 0.226 675 2HB ALA 92 2HB ALA 92 -4.396 3.234 0.809 676 3HB ALA 92 3HB ALA 92 -3.946 1.514 0.883 677 H ILE 93 H ILE 93 -6.352 0.627 -0.392 678 HA ILE 93 HA ILE 93 -5.022 -1.799 -1.010 679 HB ILE 93 HB ILE 93 -7.959 -1.339 -0.497 680 1HG1 ILE 93 1HG1 ILE 93 -5.653 -1.568 1.449 681 2HG1 ILE 93 2HG1 ILE 93 -6.789 -0.244 1.283 682 1HG2 ILE 93 1HG2 ILE 93 -6.478 -3.771 0.387 683 2HG2 ILE 93 2HG2 ILE 93 -8.169 -3.576 -0.130 684 3HG2 ILE 93 3HG2 ILE 93 -6.867 -3.610 -1.342 685 1HD1 ILE 93 1HD1 ILE 93 -7.261 -1.836 3.218 686 2HD1 ILE 93 2HD1 ILE 93 -8.627 -1.588 2.105 687 3HD1 ILE 93 3HD1 ILE 93 -7.657 -3.076 2.004 688 H GLN 94 H GLN 94 -7.702 0.089 -2.558 689 HA GLN 94 HA GLN 94 -8.159 -1.662 -4.610 690 1HB GLN 94 1HB GLN 94 -9.439 0.480 -3.900 691 2HB GLN 94 2HB GLN 94 -8.312 1.358 -4.915 692 1HG GLN 94 1HG GLN 94 -8.956 -0.287 -6.808 693 2HG GLN 94 2HG GLN 94 -10.265 -0.820 -5.772 694 1HE2 GLN 94 1HE2 GLN 94 -9.110 1.551 -7.928 695 2HE2 GLN 94 2HE2 GLN 94 -10.447 2.652 -7.886 696 H CYS 95 H CYS 95 -5.806 1.073 -4.373 697 HA CYS 95 HA CYS 95 -4.882 0.785 -7.015 698 1HB CYS 95 1HB CYS 95 -4.543 2.607 -4.951 699 2HB CYS 95 2HB CYS 95 -2.951 1.895 -5.125 700 H ALA 96 H ALA 96 -3.934 -0.513 -3.788 701 HA ALA 96 HA ALA 96 -1.514 -1.647 -4.461 702 1HB ALA 96 1HB ALA 96 -3.687 -2.251 -2.456 703 2HB ALA 96 2HB ALA 96 -2.285 -3.338 -2.600 704 3HB ALA 96 3HB ALA 96 -2.043 -1.624 -2.187 705 H LYS 97 H LYS 97 -4.867 -2.987 -4.751 706 HA LYS 97 HA LYS 97 -3.959 -5.446 -5.829 707 1HB LYS 97 1HB LYS 97 -6.348 -5.835 -6.276 708 2HB LYS 97 2HB LYS 97 -6.054 -5.311 -4.630 709 1HG LYS 97 1HG LYS 97 -6.792 -3.044 -5.130 710 2HG LYS 97 2HG LYS 97 -6.827 -3.369 -6.852 711 1HD LYS 97 1HD LYS 97 -8.505 -5.354 -5.927 712 2HD LYS 97 2HD LYS 97 -8.810 -4.097 -4.744 713 1HE LYS 97 1HE LYS 97 -9.438 -2.501 -6.474 714 2HE LYS 97 2HE LYS 97 -8.869 -3.562 -7.747 715 1HZ LYS 97 1HZ LYS 97 -10.707 -4.952 -6.195 716 2HZ LYS 97 2HZ LYS 97 -11.372 -3.512 -6.585 717 3HZ LYS 97 3HZ LYS 97 -10.837 -4.511 -7.761 718 H ARG 98 H ARG 98 -5.203 -2.352 -7.205 719 HA ARG 98 HA ARG 98 -5.283 -3.261 -9.815 720 1HB ARG 98 1HB ARG 98 -6.349 -1.142 -8.939 721 2HB ARG 98 2HB ARG 98 -4.759 -0.417 -8.809 722 1HG ARG 98 1HG ARG 98 -4.832 0.183 -10.992 723 2HG ARG 98 2HG ARG 98 -4.972 -1.499 -11.464 724 1HD ARG 98 1HD ARG 98 -7.424 -1.417 -11.240 725 2HD ARG 98 2HD ARG 98 -7.350 0.204 -10.579 726 HE ARG 98 HE ARG 98 -6.062 0.500 -12.996 727 1HH1 ARG 98 2HH2 ARG 98 -9.161 -0.900 -12.091 728 2HH1 ARG 98 1HH2 ARG 98 -9.918 -0.521 -13.602 729 1HH2 ARG 98 2HH1 ARG 98 -7.059 1.000 -14.990 730 2HH2 ARG 98 1HH1 ARG 98 -8.714 0.567 -15.262 731 H VAL 99 H VAL 99 -2.633 -2.355 -7.705 732 HA VAL 99 HA VAL 99 -0.821 -1.780 -9.875 733 HB VAL 99 HB VAL 99 -0.561 -1.962 -6.874 734 1HG1 VAL 99 1HG1 VAL 99 1.537 -2.745 -7.863 735 2HG1 VAL 99 2HG1 VAL 99 1.606 -1.298 -8.896 736 3HG1 VAL 99 3HG1 VAL 99 1.747 -1.137 -7.128 737 1HG2 VAL 99 1HG2 VAL 99 -0.759 0.296 -6.828 738 2HG2 VAL 99 2HG2 VAL 99 0.103 0.513 -8.371 739 3HG2 VAL 99 3HG2 VAL 99 -1.613 0.037 -8.369 740 H VAL 100 H VAL 100 -1.044 -4.263 -7.223 741 HA VAL 100 HA VAL 100 0.957 -5.896 -8.228 742 HB VAL 100 HB VAL 100 -0.563 -5.810 -6.006 743 1HG1 VAL 100 1HG1 VAL 100 -1.920 -7.843 -5.844 744 2HG1 VAL 100 2HG1 VAL 100 -2.535 -6.768 -7.123 745 3HG1 VAL 100 3HG1 VAL 100 -1.590 -8.214 -7.553 746 1HG2 VAL 100 1HG2 VAL 100 0.793 -8.366 -6.905 747 2HG2 VAL 100 2HG2 VAL 100 1.687 -6.903 -6.429 748 3HG2 VAL 100 3HG2 VAL 100 0.634 -7.726 -5.252 749 H ARG 101 H ARG 101 -2.426 -5.446 -9.187 750 HA ARG 101 HA ARG 101 -2.885 -7.816 -10.429 751 1HB ARG 101 1HB ARG 101 -3.955 -5.081 -10.526 752 2HB ARG 101 2HB ARG 101 -4.044 -5.834 -12.106 753 1HG ARG 101 1HG ARG 101 -5.162 -7.840 -11.048 754 2HG ARG 101 2HG ARG 101 -5.140 -7.006 -9.506 755 1HD ARG 101 1HD ARG 101 -7.320 -6.585 -10.409 756 2HD ARG 101 2HD ARG 101 -6.434 -5.093 -10.652 757 HE ARG 101 HE ARG 101 -6.184 -6.901 -12.928 758 1HH1 ARG 101 2HH2 ARG 101 -8.249 -4.474 -11.434 759 2HH1 ARG 101 1HH2 ARG 101 -9.024 -4.034 -12.920 760 1HH2 ARG 101 2HH1 ARG 101 -7.207 -6.322 -14.889 761 2HH2 ARG 101 1HH1 ARG 101 -8.427 -5.092 -14.897 762 H ASP 102 H ASP 102 -0.693 -5.212 -11.294 763 HA ASP 102 HA ASP 102 -0.589 -5.746 -14.044 764 1HB ASP 102 1HB ASP 102 0.612 -3.939 -12.159 765 2HB ASP 102 2HB ASP 102 1.926 -4.714 -13.023 766 HA PRO 103 HA PRO 103 2.487 -8.891 -14.099 767 1HB PRO 103 1HB PRO 103 4.444 -8.089 -15.830 768 2HB PRO 103 2HB PRO 103 2.899 -8.726 -16.359 769 1HG PRO 103 1HG PRO 103 3.851 -5.927 -16.366 770 2HG PRO 103 2HG PRO 103 2.520 -6.635 -17.257 771 1HD PRO 103 1HD PRO 103 2.335 -5.000 -14.909 772 2HD PRO 103 2HD PRO 103 1.014 -5.804 -15.732 773 H GLN 104 H GLN 104 3.134 -6.131 -12.544 774 HA GLN 104 HA GLN 104 5.865 -6.486 -12.037 775 1HB GLN 104 1HB GLN 104 3.768 -5.036 -10.361 776 2HB GLN 104 2HB GLN 104 5.503 -4.828 -10.229 777 1HG GLN 104 1HG GLN 104 4.422 -4.484 -12.988 778 2HG GLN 104 2HG GLN 104 3.859 -3.292 -11.832 779 1HE2 GLN 104 1HE2 GLN 104 5.795 -3.300 -14.158 780 2HE2 GLN 104 2HE2 GLN 104 7.232 -2.536 -13.566 781 H GLY 105 H GLY 105 2.951 -7.061 -9.925 782 1HA GLY 105 1HA GLY 105 2.542 -8.785 -8.502 783 2HA GLY 105 2HA GLY 105 4.062 -9.533 -8.952 784 H ILE 106 H ILE 106 3.183 -9.448 -6.258 785 HA ILE 106 HA ILE 106 3.860 -7.394 -4.673 786 HB ILE 106 HB ILE 106 3.885 -10.329 -4.432 787 1HG1 ILE 106 1HG1 ILE 106 1.918 -8.888 -3.970 788 2HG1 ILE 106 2HG1 ILE 106 2.384 -9.894 -2.613 789 1HG2 ILE 106 1HG2 ILE 106 4.887 -10.302 -2.181 790 2HG2 ILE 106 2HG2 ILE 106 6.060 -9.878 -3.452 791 3HG2 ILE 106 3HG2 ILE 106 5.362 -8.604 -2.423 792 1HD1 ILE 106 1HD1 ILE 106 3.686 -7.918 -1.680 793 2HD1 ILE 106 2HD1 ILE 106 2.983 -6.927 -2.980 794 3HD1 ILE 106 3HD1 ILE 106 1.925 -7.671 -1.758 795 H ARG 107 H ARG 107 6.036 -9.360 -6.648 796 HA ARG 107 HA ARG 107 8.390 -9.139 -5.490 797 1HB ARG 107 1HB ARG 107 7.712 -9.916 -7.913 798 2HB ARG 107 2HB ARG 107 8.104 -8.279 -8.397 799 1HG ARG 107 1HG ARG 107 10.403 -8.509 -7.631 800 2HG ARG 107 2HG ARG 107 10.049 -10.024 -6.825 801 1HD ARG 107 1HD ARG 107 10.974 -10.851 -8.795 802 2HD ARG 107 2HD ARG 107 9.292 -10.790 -9.279 803 HE ARG 107 HE ARG 107 11.449 -9.008 -10.198 804 1HH1 ARG 107 2HH2 ARG 107 7.975 -9.520 -9.977 805 2HH1 ARG 107 1HH2 ARG 107 7.604 -8.441 -11.281 806 1HH2 ARG 107 2HH1 ARG 107 10.961 -7.584 -11.918 807 2HH2 ARG 107 1HH1 ARG 107 9.315 -7.333 -12.391 808 H ALA 108 H ALA 108 6.561 -6.480 -7.074 809 HA ALA 108 HA ALA 108 8.399 -4.534 -7.347 810 1HB ALA 108 1HB ALA 108 5.604 -4.274 -6.163 811 2HB ALA 108 2HB ALA 108 6.544 -2.958 -6.908 812 3HB ALA 108 3HB ALA 108 6.003 -4.336 -7.896 813 H TRP 109 H TRP 109 6.960 -5.755 -4.291 814 HA TRP 109 HA TRP 109 8.503 -3.798 -2.787 815 1HB TRP 109 1HB TRP 109 6.434 -5.839 -1.960 816 2HB TRP 109 2HB TRP 109 7.301 -4.806 -0.840 817 HD1 TRP 109 HD TRP 109 6.615 -2.159 -0.846 818 HE1 TRP 109 1HE TRP 109 4.514 -0.799 -1.682 819 HE3 TRP 109 3HE TRP 109 4.750 -5.847 -3.809 820 HZ2 TRP 109 2HZ TRP 109 2.357 -1.404 -3.449 821 HZ3 TRP 109 3HZ TRP 109 2.642 -5.380 -5.056 822 HH2 TRP 109 HH TRP 109 1.454 -3.249 -4.911 823 H VAL 110 H VAL 110 10.227 -5.355 -4.217 824 HA VAL 110 HA VAL 110 10.986 -7.794 -3.543 825 HB VAL 110 HB VAL 110 12.154 -6.220 -5.050 826 1HG1 VAL 110 1HG1 VAL 110 13.810 -4.666 -4.214 827 2HG1 VAL 110 2HG1 VAL 110 12.241 -4.302 -3.458 828 3HG1 VAL 110 3HG1 VAL 110 13.493 -5.168 -2.536 829 1HG2 VAL 110 1HG2 VAL 110 13.601 -7.959 -3.087 830 2HG2 VAL 110 2HG2 VAL 110 13.385 -8.149 -4.843 831 3HG2 VAL 110 3HG2 VAL 110 14.557 -6.967 -4.213 832 H ALA 111 H ALA 111 11.180 -4.920 -1.420 833 HA ALA 111 HA ALA 111 12.826 -5.724 0.548 834 1HB ALA 111 1HB ALA 111 10.622 -4.663 1.910 835 2HB ALA 111 2HB ALA 111 11.978 -3.745 1.215 836 3HB ALA 111 3HB ALA 111 10.489 -3.986 0.269 837 H TRP 112 H TRP 112 9.287 -6.553 0.364 838 HA TRP 112 HA TRP 112 9.207 -8.198 2.560 839 1HB TRP 112 1HB TRP 112 7.148 -7.686 1.720 840 2HB TRP 112 2HB TRP 112 7.626 -7.934 0.052 841 HD1 TRP 112 HD TRP 112 8.632 -10.952 1.966 842 HE1 TRP 112 1HE TRP 112 6.956 -12.972 1.691 843 HE3 TRP 112 3HE TRP 112 4.876 -8.236 -0.125 844 HZ2 TRP 112 2HZ TRP 112 4.307 -13.202 0.654 845 HZ3 TRP 112 3HZ TRP 112 2.778 -9.436 -0.739 846 HH2 TRP 112 HH TRP 112 2.461 -11.832 -0.381 847 H ARG 113 H ARG 113 9.733 -9.112 -0.927 848 HA ARG 113 HA ARG 113 10.111 -11.734 -0.620 849 1HB ARG 113 1HB ARG 113 10.201 -10.368 -2.776 850 2HB ARG 113 2HB ARG 113 11.861 -9.959 -2.392 851 1HG ARG 113 1HG ARG 113 12.341 -12.482 -2.264 852 2HG ARG 113 2HG ARG 113 10.735 -12.746 -2.915 853 1HD ARG 113 1HD ARG 113 11.409 -11.184 -4.864 854 2HD ARG 113 2HD ARG 113 13.050 -11.281 -4.258 855 HE ARG 113 HE ARG 113 13.209 -13.452 -5.108 856 1HH1 ARG 113 2HH2 ARG 113 9.813 -12.567 -4.862 857 2HH1 ARG 113 1HH2 ARG 113 9.250 -13.994 -5.668 858 1HH2 ARG 113 2HH1 ARG 113 12.468 -15.335 -6.171 859 2HH2 ARG 113 1HH1 ARG 113 10.771 -15.579 -6.417 860 H ALA 114 H ALA 114 12.095 -9.169 0.653 861 HA ALA 114 HA ALA 114 14.076 -11.165 1.491 862 1HB ALA 114 1HB ALA 114 15.612 -8.962 1.356 863 2HB ALA 114 2HB ALA 114 15.408 -10.065 -0.025 864 3HB ALA 114 3HB ALA 114 14.456 -8.564 0.062 865 H HIS 115 H HIS 115 11.669 -10.363 2.864 866 HA HIS 115 HA HIS 115 12.923 -9.331 5.239 867 1HB HIS 115 1HB HIS 115 11.977 -7.387 3.750 868 2HB HIS 115 2HB HIS 115 10.420 -7.924 4.349 869 HD1 HIS 115 1HD HIS 115 13.794 -6.750 5.724 870 HD2 HIS 115 2HD HIS 115 9.749 -6.928 6.818 871 HE1 HIS 115 1HE HIS 115 13.595 -5.484 7.931 872 HE2 HIS 115 2HE HIS 115 11.078 -5.581 8.524 873 H CYS 116 H CYS 116 9.796 -10.220 3.623 874 HA CYS 116 HA CYS 116 8.877 -11.373 6.102 875 1HB CYS 116 1HB CYS 116 7.660 -10.309 3.749 876 2HB CYS 116 2HB CYS 116 7.144 -11.977 3.917 877 H GLN 117 H GLN 117 9.665 -12.363 2.696 878 HA GLN 117 HA GLN 117 9.287 -15.089 3.217 879 1HB GLN 117 1HB GLN 117 10.002 -13.398 0.974 880 2HB GLN 117 2HB GLN 117 11.096 -14.766 1.026 881 1HG GLN 117 1HG GLN 117 8.079 -15.109 1.275 882 2HG GLN 117 2HG GLN 117 8.880 -15.076 -0.283 883 1HE2 GLN 117 1HE2 GLN 117 7.549 -17.109 1.710 884 2HE2 GLN 117 2HE2 GLN 117 8.561 -18.511 1.596 885 H ASN 118 H ASN 118 10.656 -14.645 5.393 886 HA ASN 118 HA ASN 118 13.230 -15.815 4.806 887 1HB ASN 118 1HB ASN 118 13.313 -13.191 5.209 888 2HB ASN 118 2HB ASN 118 13.037 -13.604 6.890 889 1HD2 ASN 118 1HD2 ASN 118 15.357 -12.536 5.224 890 2HD2 ASN 118 2HD2 ASN 118 16.728 -13.480 5.702 891 H ARG 119 H ARG 119 10.989 -14.530 7.378 892 HA ARG 119 HA ARG 119 11.361 -17.068 8.749 893 1HB ARG 119 1HB ARG 119 12.412 -14.782 9.751 894 2HB ARG 119 2HB ARG 119 10.782 -14.583 10.361 895 1HG ARG 119 1HG ARG 119 11.343 -17.266 10.946 896 2HG ARG 119 2HG ARG 119 12.886 -16.477 11.212 897 1HD ARG 119 1HD ARG 119 10.394 -15.186 12.344 898 2HD ARG 119 2HD ARG 119 11.049 -16.595 13.157 899 HE ARG 119 HE ARG 119 13.216 -14.816 12.651 900 1HH1 ARG 119 2HH2 ARG 119 10.286 -14.948 14.596 901 2HH1 ARG 119 1HH2 ARG 119 10.912 -13.914 15.837 902 1HH2 ARG 119 2HH1 ARG 119 14.041 -13.453 14.289 903 2HH2 ARG 119 1HH1 ARG 119 13.062 -13.058 15.661 904 H ASP 120 H ASP 120 9.478 -16.751 10.807 905 HA ASP 120 HA ASP 120 7.064 -16.705 9.236 906 1HB ASP 120 1HB ASP 120 7.695 -18.575 10.880 907 2HB ASP 120 2HB ASP 120 7.427 -17.429 12.178 908 H LEU 121 H LEU 121 6.339 -14.543 9.046 909 HA LEU 121 HA LEU 121 6.341 -12.938 11.496 910 1HB LEU 121 1HB LEU 121 7.499 -12.193 9.333 911 2HB LEU 121 2HB LEU 121 5.887 -11.941 8.695 912 HG LEU 121 HG LEU 121 5.733 -10.571 11.061 913 1HD1 LEU 121 1HD1 LEU 121 7.685 -9.432 11.584 914 2HD1 LEU 121 2HD1 LEU 121 8.265 -11.083 11.265 915 3HD1 LEU 121 3HD1 LEU 121 8.456 -9.818 10.027 916 1HD2 LEU 121 1HD2 LEU 121 6.636 -8.671 9.226 917 2HD2 LEU 121 2HD2 LEU 121 5.932 -9.969 8.229 918 3HD2 LEU 121 3HD2 LEU 121 4.955 -9.193 9.500 919 H SER 122 H SER 122 4.457 -15.209 10.703 920 HA SER 122 HA SER 122 2.044 -13.945 9.991 921 1HB SER 122 1HB SER 122 3.018 -16.618 10.344 922 2HB SER 122 2HB SER 122 1.606 -16.454 11.368 923 HG SER 122 HG SER 122 0.711 -17.002 9.435 924 H GLN 123 H GLN 123 3.828 -14.461 12.974 925 HA GLN 123 HA GLN 123 1.642 -14.378 14.717 926 1HB GLN 123 1HB GLN 123 3.892 -15.245 15.335 927 2HB GLN 123 2HB GLN 123 4.562 -13.632 15.194 928 1HG GLN 123 1HG GLN 123 3.914 -13.129 17.306 929 2HG GLN 123 2HG GLN 123 2.243 -13.484 16.912 930 1HE2 GLN 123 1HE2 GLN 123 2.415 -14.136 19.240 931 2HE2 GLN 123 2HE2 GLN 123 2.799 -15.786 19.598 932 H TYR 124 H TYR 124 2.984 -12.015 12.653 933 HA TYR 124 HA TYR 124 2.640 -9.745 14.348 934 1HB TYR 124 1HB TYR 124 3.893 -10.427 11.945 935 2HB TYR 124 2HB TYR 124 2.476 -9.593 11.339 936 HD1 TYR 124 1HD TYR 124 5.480 -9.204 13.492 937 HD2 TYR 124 2HD TYR 124 2.313 -7.215 11.415 938 HE1 TYR 124 1HE TYR 124 6.625 -6.966 13.874 939 HE2 TYR 124 2HE TYR 124 3.467 -4.984 11.804 940 HH TYR 124 HH TYR 124 5.436 -4.050 12.347 941 H ILE 125 H ILE 125 0.618 -11.614 12.085 942 HA ILE 125 HA ILE 125 -1.472 -9.582 12.335 943 HB ILE 125 HB ILE 125 -2.551 -10.780 10.490 944 1HG1 ILE 125 1HG1 ILE 125 -0.172 -12.379 9.799 945 2HG1 ILE 125 2HG1 ILE 125 -1.018 -12.937 11.229 946 1HG2 ILE 125 1HG2 ILE 125 -1.033 -10.063 8.743 947 2HG2 ILE 125 2HG2 ILE 125 -1.020 -8.888 10.079 948 3HG2 ILE 125 3HG2 ILE 125 0.326 -10.037 9.891 949 1HD1 ILE 125 1HD1 ILE 125 -2.026 -12.717 8.392 950 2HD1 ILE 125 2HD1 ILE 125 -2.191 -14.062 9.547 951 3HD1 ILE 125 3HD1 ILE 125 -3.190 -12.600 9.734 952 H ARG 126 H ARG 126 -0.512 -12.878 13.223 953 HA ARG 126 HA ARG 126 -3.119 -13.591 14.049 954 1HB ARG 126 1HB ARG 126 -1.326 -15.234 13.325 955 2HB ARG 126 2HB ARG 126 -0.434 -14.860 14.786 956 1HG ARG 126 1HG ARG 126 -3.225 -15.509 15.410 957 2HG ARG 126 2HG ARG 126 -2.479 -16.799 14.489 958 1HD ARG 126 1HD ARG 126 -0.452 -16.385 16.220 959 2HD ARG 126 2HD ARG 126 -1.741 -15.739 17.216 960 HE ARG 126 HE ARG 126 -1.291 -18.530 16.600 961 1HH1 ARG 126 2HH2 ARG 126 -3.853 -16.194 17.206 962 2HH1 ARG 126 1HH2 ARG 126 -4.973 -17.381 17.784 963 1HH2 ARG 126 2HH1 ARG 126 -2.770 -20.097 17.364 964 2HH2 ARG 126 1HH1 ARG 126 -4.353 -19.616 17.875 965 H ASN 127 H ASN 127 -4.087 -13.157 16.022 966 HA ASN 127 HA ASN 127 -4.308 -12.726 18.153 967 1HB ASN 127 1HB ASN 127 -2.071 -14.066 18.426 968 2HB ASN 127 2HB ASN 127 -1.285 -12.503 18.525 969 1HD2 ASN 127 1HD2 ASN 127 -3.969 -14.392 19.876 970 2HD2 ASN 127 2HD2 ASN 127 -3.881 -13.783 21.495 971 H CYS 128 H CYS 128 -3.774 -10.773 15.862 972 HA CYS 128 HA CYS 128 -2.458 -8.554 17.114 973 1HB CYS 128 1HB CYS 128 -2.726 -9.310 14.536 974 2HB CYS 128 2HB CYS 128 -4.042 -8.157 14.640 975 H GLY 129 H GLY 129 -5.748 -9.793 16.461 976 1HA GLY 129 1HA GLY 129 -7.434 -9.159 18.090 977 2HA GLY 129 2HA GLY 129 -6.840 -7.513 17.998 978 H VAL 130 H VAL 130 -7.206 -9.741 15.197 979 HA VAL 130 HA VAL 130 -8.950 -7.773 13.971 980 HB VAL 130 HB VAL 130 -7.361 -10.144 13.046 981 1HG1 VAL 130 1HG1 VAL 130 -9.441 -8.697 11.371 982 2HG1 VAL 130 2HG1 VAL 130 -8.328 -9.972 10.817 983 3HG1 VAL 130 3HG1 VAL 130 -9.598 -10.353 12.005 984 1HG2 VAL 130 1HG2 VAL 130 -7.016 -7.315 13.065 985 2HG2 VAL 130 2HG2 VAL 130 -5.931 -8.560 12.402 986 3HG2 VAL 130 3HG2 VAL 130 -7.183 -7.828 11.369
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