NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
16486 | 2a7u | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 1H MET 1 HT1 MET 1 -16.040 11.555 7.759 2 2H MET 1 HT2 MET 1 -15.771 11.793 9.423 3 3H MET 1 HT3 MET 1 -14.599 11.007 8.472 4 HA MET 1 HA MET 1 -15.411 13.858 8.106 5 1HB MET 1 HB2 MET 1 -13.437 12.413 9.833 6 2HB MET 1 HB1 MET 1 -12.883 13.904 9.071 7 1HG MET 1 HG2 MET 1 -14.517 15.214 10.160 8 2HG MET 1 HG1 MET 1 -15.524 13.813 10.542 9 1HE MET 1 HE1 MET 1 -14.338 16.022 13.202 10 2HE MET 1 HE2 MET 1 -15.072 14.587 13.924 11 3HE MET 1 HE3 MET 1 -15.716 15.233 12.416 12 H GLN 2 HN GLN 2 -14.483 14.755 6.244 13 HA GLN 2 HA GLN 2 -12.565 13.027 4.700 14 1HB GLN 2 HB2 GLN 2 -15.158 14.109 4.089 15 2HB GLN 2 HB1 GLN 2 -13.966 14.834 3.002 16 1HG GLN 2 HG2 GLN 2 -13.897 12.922 1.820 17 2HG GLN 2 HG1 GLN 2 -13.304 12.079 3.249 18 1HE2 GLN 2 HE21 GLN 2 -15.553 11.602 1.032 19 2HE2 GLN 2 HE22 GLN 2 -16.831 10.996 1.966 20 H LEU 3 HN LEU 3 -10.632 14.051 5.262 21 HA LEU 3 HA LEU 3 -9.847 16.451 3.925 22 1HB LEU 3 HB2 LEU 3 -11.485 17.162 5.891 23 2HB LEU 3 HB1 LEU 3 -10.044 16.947 6.887 24 HG LEU 3 HG LEU 3 -9.801 18.507 4.338 25 1HD1 LEU 3 HD11 LEU 3 -10.935 19.587 6.934 26 2HD1 LEU 3 HD12 LEU 3 -11.763 19.518 5.375 27 3HD1 LEU 3 HD13 LEU 3 -10.369 20.580 5.588 28 1HD2 LEU 3 HD21 LEU 3 -8.522 19.591 6.689 29 2HD2 LEU 3 HD22 LEU 3 -7.788 18.956 5.214 30 3HD2 LEU 3 HD23 LEU 3 -8.162 17.868 6.552 31 H ASN 4 HN ASN 4 -9.295 14.312 6.718 32 HA ASN 4 HA ASN 4 -6.383 14.885 6.672 33 1HB ASN 4 HB2 ASN 4 -7.798 12.836 8.384 34 2HB ASN 4 HB1 ASN 4 -6.375 13.801 8.776 35 1HD2 ASN 4 HD21 ASN 4 -6.796 16.218 9.096 36 2HD2 ASN 4 HD22 ASN 4 -8.318 16.691 9.674 37 H SER 5 HN SER 5 -4.945 12.818 6.816 38 HA SER 5 HA SER 5 -4.808 11.403 4.442 39 1HB SER 5 HB2 SER 5 -3.211 11.482 6.407 40 2HB SER 5 HB1 SER 5 -4.194 10.231 7.162 41 HG SER 5 HG SER 5 -3.722 9.441 4.681 42 H THR 6 HN THR 6 -6.840 10.450 7.239 43 HA THR 6 HA THR 6 -7.503 7.809 6.454 44 HB THR 6 HB THR 6 -8.045 9.194 8.578 45 HG1 THR 6 HG1 THR 6 -10.297 7.753 7.830 46 1HG2 THR 6 HG21 THR 6 -9.343 10.939 7.277 47 2HG2 THR 6 HG22 THR 6 -10.203 10.261 8.660 48 3HG2 THR 6 HG23 THR 6 -10.595 9.722 7.027 49 H GLU 7 HN GLU 7 -8.771 10.860 5.167 50 HA GLU 7 HA GLU 7 -10.988 9.559 3.750 51 1HB GLU 7 HB2 GLU 7 -11.558 11.777 3.178 52 2HB GLU 7 HB1 GLU 7 -10.803 11.926 4.762 53 1HG GLU 7 HG2 GLU 7 -9.433 13.462 3.811 54 2HG GLU 7 HG1 GLU 7 -8.656 12.115 2.987 55 H ILE 8 HN ILE 8 -7.637 10.211 3.031 56 HA ILE 8 HA ILE 8 -7.633 10.524 0.229 57 HB ILE 8 HB ILE 8 -5.738 10.548 1.983 58 1HG1 ILE 8 HG12 ILE 8 -4.079 9.655 0.221 59 2HG1 ILE 8 HG11 ILE 8 -5.501 9.328 -0.769 60 1HG2 ILE 8 HG21 ILE 8 -4.818 8.595 2.722 61 2HG2 ILE 8 HG22 ILE 8 -5.074 7.781 1.181 62 3HG2 ILE 8 HG23 ILE 8 -6.400 7.921 2.334 63 1HD1 ILE 8 HD11 ILE 8 -4.190 11.693 -0.817 64 2HD1 ILE 8 HD12 ILE 8 -5.362 12.031 0.458 65 3HD1 ILE 8 HD13 ILE 8 -5.917 11.546 -1.146 66 H SER 9 HN SER 9 -8.717 7.758 1.994 67 HA SER 9 HA SER 9 -8.136 5.479 0.578 68 1HB SER 9 HB2 SER 9 -9.870 6.058 2.468 69 2HB SER 9 HB1 SER 9 -11.010 6.178 1.130 70 HG SER 9 HG SER 9 -9.611 3.970 0.738 71 H GLU 10 HN GLU 10 -10.819 7.689 -0.444 72 HA GLU 10 HA GLU 10 -11.368 6.319 -2.888 73 1HB GLU 10 HB2 GLU 10 -12.349 8.498 -1.472 74 2HB GLU 10 HB1 GLU 10 -11.760 9.220 -2.972 75 1HG GLU 10 HG2 GLU 10 -14.178 8.378 -3.027 76 2HG GLU 10 HG1 GLU 10 -13.131 7.796 -4.316 77 H LEU 11 HN LEU 11 -9.168 9.077 -2.263 78 HA LEU 11 HA LEU 11 -8.296 9.423 -4.977 79 1HB LEU 11 HB2 LEU 11 -7.153 9.947 -2.229 80 2HB LEU 11 HB1 LEU 11 -6.151 10.217 -3.649 81 HG LEU 11 HG LEU 11 -7.066 12.310 -3.540 82 1HD1 LEU 11 HD11 LEU 11 -9.493 10.917 -4.698 83 2HD1 LEU 11 HD12 LEU 11 -8.022 11.255 -5.614 84 3HD1 LEU 11 HD13 LEU 11 -8.990 12.585 -4.975 85 1HD2 LEU 11 HD21 LEU 11 -8.500 11.211 -1.484 86 2HD2 LEU 11 HD22 LEU 11 -9.783 11.656 -2.609 87 3HD2 LEU 11 HD23 LEU 11 -8.654 12.881 -2.028 88 H ILE 12 HN ILE 12 -7.139 7.347 -2.324 89 HA ILE 12 HA ILE 12 -4.920 6.114 -3.653 90 HB ILE 12 HB ILE 12 -6.879 5.162 -1.534 91 1HG1 ILE 12 HG12 ILE 12 -4.024 6.146 -1.270 92 2HG1 ILE 12 HG11 ILE 12 -5.443 7.162 -1.013 93 1HG2 ILE 12 HG21 ILE 12 -5.706 3.276 -2.717 94 2HG2 ILE 12 HG22 ILE 12 -5.307 3.400 -1.003 95 3HG2 ILE 12 HG23 ILE 12 -4.170 3.987 -2.218 96 1HD1 ILE 12 HD11 ILE 12 -5.358 4.552 0.425 97 2HD1 ILE 12 HD12 ILE 12 -6.023 6.099 0.945 98 3HD1 ILE 12 HD13 ILE 12 -4.283 5.825 1.002 99 H LYS 13 HN LYS 13 -8.308 4.986 -3.299 100 HA LYS 13 HA LYS 13 -8.231 2.610 -4.797 101 1HB LYS 13 HB2 LYS 13 -10.097 4.244 -3.580 102 2HB LYS 13 HB1 LYS 13 -10.580 4.328 -5.273 103 1HG LYS 13 HG2 LYS 13 -10.608 1.848 -5.376 104 2HG LYS 13 HG1 LYS 13 -10.165 1.782 -3.668 105 1HD LYS 13 HD2 LYS 13 -12.674 3.064 -4.801 106 2HD LYS 13 HD1 LYS 13 -12.604 1.536 -3.924 107 1HE LYS 13 HE2 LYS 13 -11.739 2.723 -1.923 108 2HE LYS 13 HE1 LYS 13 -11.852 4.263 -2.804 109 1HZ LYS 13 HZ1 LYS 13 -14.046 2.410 -2.047 110 2HZ LYS 13 HZ2 LYS 13 -14.233 3.579 -3.285 111 3HZ LYS 13 HZ3 LYS 13 -13.886 4.074 -1.702 112 H GLN 14 HN GLN 14 -8.544 5.949 -6.007 113 HA GLN 14 HA GLN 14 -8.862 5.181 -8.802 114 1HB GLN 14 HB2 GLN 14 -8.632 7.605 -7.127 115 2HB GLN 14 HB1 GLN 14 -7.988 7.791 -8.759 116 1HG GLN 14 HG2 GLN 14 -10.386 6.400 -9.129 117 2HG GLN 14 HG1 GLN 14 -10.764 7.591 -7.885 118 1HE2 GLN 14 HE21 GLN 14 -10.749 7.221 -11.190 119 2HE2 GLN 14 HE22 GLN 14 -10.552 8.842 -11.645 120 H ARG 15 HN ARG 15 -6.084 6.109 -6.755 121 HA ARG 15 HA ARG 15 -4.229 6.071 -9.066 122 1HB ARG 15 HB2 ARG 15 -3.705 6.343 -6.086 123 2HB ARG 15 HB1 ARG 15 -2.594 6.765 -7.386 124 1HG ARG 15 HG2 ARG 15 -5.087 8.110 -7.849 125 2HG ARG 15 HG1 ARG 15 -4.584 8.412 -6.185 126 1HD ARG 15 HD2 ARG 15 -2.443 9.273 -6.898 127 2HD ARG 15 HD1 ARG 15 -2.733 8.751 -8.573 128 HE ARG 15 HE ARG 15 -4.419 10.829 -7.196 129 1HH1 ARG 15 HH21 ARG 15 -5.499 9.652 -9.684 130 2HH1 ARG 15 HH22 ARG 15 -4.927 10.753 -10.889 131 1HH2 ARG 15 HH11 ARG 15 -2.541 12.139 -8.815 132 2HH2 ARG 15 HH12 ARG 15 -3.242 12.166 -10.396 133 H ILE 16 HN ILE 16 -4.781 4.114 -6.111 134 HA ILE 16 HA ILE 16 -2.640 2.283 -6.397 135 HB ILE 16 HB ILE 16 -4.600 2.713 -4.620 136 1HG1 ILE 16 HG12 ILE 16 -2.523 1.398 -4.259 137 2HG1 ILE 16 HG11 ILE 16 -3.924 0.661 -3.484 138 1HG2 ILE 16 HG21 ILE 16 -6.153 0.785 -4.572 139 2HG2 ILE 16 HG22 ILE 16 -5.530 0.256 -6.135 140 3HG2 ILE 16 HG23 ILE 16 -6.396 1.789 -6.002 141 1HD1 ILE 16 HD11 ILE 16 -2.623 -0.173 -6.089 142 2HD1 ILE 16 HD12 ILE 16 -4.175 -0.801 -5.531 143 3HD1 ILE 16 HD13 ILE 16 -2.712 -1.101 -4.591 144 H ALA 17 HN ALA 17 -5.840 2.247 -7.970 145 HA ALA 17 HA ALA 17 -5.055 -0.211 -9.480 146 1HB ALA 17 HB1 ALA 17 -7.470 -0.339 -9.934 147 2HB ALA 17 HB2 ALA 17 -7.707 1.239 -9.181 148 3HB ALA 17 HB3 ALA 17 -7.186 -0.136 -8.205 149 H GLN 18 HN GLN 18 -5.698 3.236 -9.941 150 HA GLN 18 HA GLN 18 -5.212 2.866 -12.886 151 1HB GLN 18 HB2 GLN 18 -7.595 3.454 -11.745 152 2HB GLN 18 HB1 GLN 18 -6.943 5.084 -11.911 153 1HG GLN 18 HG2 GLN 18 -7.155 5.066 -14.173 154 2HG GLN 18 HG1 GLN 18 -6.566 3.410 -14.307 155 1HE2 GLN 18 HE21 GLN 18 -9.445 4.749 -12.586 156 2HE2 GLN 18 HE22 GLN 18 -10.554 3.745 -13.381 157 H PHE 19 HN PHE 19 -3.092 3.562 -11.041 158 HA PHE 19 HA PHE 19 -2.704 6.407 -10.783 159 1HB PHE 19 HB2 PHE 19 -1.475 4.659 -9.519 160 2HB PHE 19 HB1 PHE 19 -0.686 4.144 -11.006 161 HD1 PHE 19 HD1 PHE 19 -0.956 6.857 -8.507 162 HD2 PHE 19 HD2 PHE 19 1.083 5.459 -12.019 163 HE1 PHE 19 HE1 PHE 19 0.788 8.597 -8.186 164 HE2 PHE 19 HE2 PHE 19 2.824 7.195 -11.700 165 HZ PHE 19 HZ PHE 19 2.676 8.765 -9.782 166 H ASN 20 HN ASN 20 -1.055 4.184 -13.086 167 HA ASN 20 HA ASN 20 -0.303 6.449 -14.817 168 1HB ASN 20 HB2 ASN 20 0.180 3.494 -14.655 169 2HB ASN 20 HB1 ASN 20 0.535 4.327 -16.167 170 1HD2 ASN 20 HD21 ASN 20 2.073 3.329 -13.454 171 2HD2 ASN 20 HD22 ASN 20 3.239 4.549 -13.311 172 H VAL 21 HN VAL 21 -3.127 6.257 -14.704 173 HA VAL 21 HA VAL 21 -3.732 5.546 -17.540 174 HB VAL 21 HB VAL 21 -5.566 4.795 -15.231 175 1HG1 VAL 21 HG11 VAL 21 -6.164 3.040 -17.076 176 2HG1 VAL 21 HG12 VAL 21 -5.334 4.155 -18.163 177 3HG1 VAL 21 HG13 VAL 21 -6.751 4.696 -17.260 178 1HG2 VAL 21 HG21 VAL 21 -3.343 3.159 -16.500 179 2HG2 VAL 21 HG22 VAL 21 -4.642 2.458 -15.535 180 3HG2 VAL 21 HG23 VAL 21 -3.506 3.588 -14.796 181 H VAL 22 HN VAL 22 -3.263 8.135 -16.417 182 HA VAL 22 HA VAL 22 -6.010 9.307 -16.229 183 HB VAL 22 HB VAL 22 -3.979 9.510 -14.504 184 1HG1 VAL 22 HG11 VAL 22 -3.500 11.831 -16.403 185 2HG1 VAL 22 HG12 VAL 22 -2.439 10.432 -16.242 186 3HG1 VAL 22 HG13 VAL 22 -2.659 11.534 -14.879 187 1HG2 VAL 22 HG21 VAL 22 -5.923 11.650 -15.391 188 2HG2 VAL 22 HG22 VAL 22 -4.897 11.863 -13.970 189 3HG2 VAL 22 HG23 VAL 22 -6.071 10.540 -14.025 190 1H SER 1 HT1 SER 1 8.295 12.707 9.224 191 2H SER 1 HT2 SER 1 6.909 13.653 8.939 192 3H SER 1 HT3 SER 1 8.316 13.907 8.018 193 HA SER 1 HA SER 1 6.486 12.625 6.847 194 1HB SER 1 HB2 SER 1 9.030 11.037 7.115 195 2HB SER 1 HB1 SER 1 8.169 11.510 5.650 196 HG SER 1 HG SER 1 10.015 12.793 5.873 197 H GLU 2 HN GLU 2 5.168 11.945 8.987 198 HA GLU 2 HA GLU 2 5.465 8.978 9.215 199 1HB GLU 2 HB2 GLU 2 5.956 11.014 11.197 200 2HB GLU 2 HB1 GLU 2 4.621 9.984 11.725 201 1HG GLU 2 HG2 GLU 2 6.102 8.012 10.989 202 2HG GLU 2 HG1 GLU 2 7.431 9.166 10.975 203 H PHE 3 HN PHE 3 3.589 9.851 7.506 204 HA PHE 3 HA PHE 3 1.033 10.438 8.805 205 1HB PHE 3 HB2 PHE 3 2.197 10.242 6.129 206 2HB PHE 3 HB1 PHE 3 0.575 9.557 6.190 207 HD1 PHE 3 HD1 PHE 3 -0.797 11.177 5.182 208 HD2 PHE 3 HD2 PHE 3 2.035 12.362 8.186 209 HE1 PHE 3 HE1 PHE 3 -1.748 13.469 5.174 210 HE2 PHE 3 HE2 PHE 3 1.086 14.654 8.183 211 HZ PHE 3 HZ PHE 3 -0.804 15.209 6.674 212 H ILE 4 HN ILE 4 1.565 8.346 10.248 213 HA ILE 4 HA ILE 4 1.235 5.701 9.267 214 HB ILE 4 HB ILE 4 0.449 5.233 11.599 215 1HG1 ILE 4 HG12 ILE 4 0.752 7.646 12.922 216 2HG1 ILE 4 HG11 ILE 4 -0.138 8.115 11.476 217 1HG2 ILE 4 HG21 ILE 4 2.576 5.432 12.337 218 2HG2 ILE 4 HG22 ILE 4 2.555 7.189 12.175 219 3HG2 ILE 4 HG23 ILE 4 2.919 6.178 10.776 220 1HD1 ILE 4 HD11 ILE 4 -1.784 7.525 13.112 221 2HD1 ILE 4 HD12 ILE 4 -0.922 6.043 13.537 222 3HD1 ILE 4 HD13 ILE 4 -1.720 6.181 11.969 223 H THR 5 HN THR 5 -1.187 8.206 9.855 224 HA THR 5 HA THR 5 -3.564 6.630 9.801 225 HB THR 5 HB THR 5 -3.048 9.448 8.795 226 HG1 THR 5 HG1 THR 5 -2.865 9.937 10.820 227 1HG2 THR 5 HG21 THR 5 -5.268 8.426 8.190 228 2HG2 THR 5 HG22 THR 5 -5.387 9.844 9.235 229 3HG2 THR 5 HG23 THR 5 -5.581 8.228 9.916 230 H VAL 6 HN VAL 6 -1.427 7.632 7.189 231 HA VAL 6 HA VAL 6 -3.259 7.386 4.995 232 HB VAL 6 HB VAL 6 -0.799 8.334 5.279 233 1HG1 VAL 6 HG11 VAL 6 0.883 6.831 4.274 234 2HG1 VAL 6 HG12 VAL 6 -0.311 5.536 4.206 235 3HG1 VAL 6 HG13 VAL 6 0.241 6.143 5.767 236 1HG2 VAL 6 HG21 VAL 6 -1.953 8.784 3.277 237 2HG2 VAL 6 HG22 VAL 6 -2.065 7.075 2.853 238 3HG2 VAL 6 HG23 VAL 6 -0.517 7.914 2.735 239 H ALA 7 HN ALA 7 -1.474 4.955 6.825 240 HA ALA 7 HA ALA 7 -1.668 2.785 4.947 241 1HB ALA 7 HB1 ALA 7 -1.558 1.546 7.304 242 2HB ALA 7 HB2 ALA 7 -1.234 3.179 7.885 243 3HB ALA 7 HB3 ALA 7 -0.169 2.441 6.686 244 H ARG 8 HN ARG 8 -3.893 3.962 7.474 245 HA ARG 8 HA ARG 8 -5.738 1.835 7.586 246 1HB ARG 8 HB2 ARG 8 -5.488 4.346 8.645 247 2HB ARG 8 HB1 ARG 8 -6.875 4.566 7.578 248 1HG ARG 8 HG2 ARG 8 -7.948 2.568 8.596 249 2HG ARG 8 HG1 ARG 8 -6.589 2.433 9.712 250 1HD ARG 8 HD2 ARG 8 -7.123 4.883 10.373 251 2HD ARG 8 HD1 ARG 8 -8.689 4.605 9.571 252 HE ARG 8 HE ARG 8 -9.069 2.705 11.115 253 1HH1 ARG 8 HH11 ARG 8 -8.495 5.163 12.820 254 2HH1 ARG 8 HH12 ARG 8 -7.435 4.485 14.008 255 1HH2 ARG 8 HH21 ARG 8 -6.799 1.638 12.145 256 2HH2 ARG 8 HH22 ARG 8 -6.467 2.481 13.623 257 HA PRO 9 HA PRO 9 -8.196 3.715 3.917 258 1HB PRO 9 HB2 PRO 9 -6.965 5.643 2.406 259 2HB PRO 9 HB1 PRO 9 -7.999 6.017 3.801 260 1HG PRO 9 HG2 PRO 9 -5.025 5.907 3.626 261 2HG PRO 9 HG1 PRO 9 -6.064 7.066 4.472 262 1HD PRO 9 HD2 PRO 9 -4.789 5.053 5.747 263 2HD PRO 9 HD1 PRO 9 -6.358 5.687 6.285 264 H TYR 10 HN TYR 10 -4.640 3.725 3.412 265 HA TYR 10 HA TYR 10 -4.504 2.728 0.772 266 1HB TYR 10 HB2 TYR 10 -2.834 2.552 3.255 267 2HB TYR 10 HB1 TYR 10 -2.388 1.522 1.897 268 HD1 TYR 10 HD1 TYR 10 -3.228 3.314 -0.379 269 HD2 TYR 10 HD2 TYR 10 -1.090 4.155 3.246 270 HE1 TYR 10 HE1 TYR 10 -2.131 5.254 -1.471 271 HE2 TYR 10 HE2 TYR 10 0.003 6.092 2.149 272 HH TYR 10 HH TYR 10 -0.773 7.676 0.047 273 H ALA 11 HN ALA 11 -4.575 0.802 3.803 274 HA ALA 11 HA ALA 11 -4.659 -1.787 2.630 275 1HB ALA 11 HB1 ALA 11 -5.579 -2.422 4.840 276 2HB ALA 11 HB2 ALA 11 -5.957 -0.728 5.167 277 3HB ALA 11 HB3 ALA 11 -4.276 -1.245 5.019 278 H LYS 12 HN LYS 12 -7.307 0.493 3.330 279 HA LYS 12 HA LYS 12 -9.385 -1.395 2.487 280 1HB LYS 12 HB2 LYS 12 -9.514 0.421 4.266 281 2HB LYS 12 HB1 LYS 12 -9.574 1.587 2.941 282 1HG LYS 12 HG2 LYS 12 -11.555 0.456 2.018 283 2HG LYS 12 HG1 LYS 12 -11.498 -0.723 3.331 284 1HD LYS 12 HD2 LYS 12 -12.104 0.858 4.953 285 2HD LYS 12 HD1 LYS 12 -11.617 2.222 3.943 286 1HE LYS 12 HE2 LYS 12 -13.496 1.826 2.422 287 2HE LYS 12 HE1 LYS 12 -13.969 0.384 3.350 288 1HZ LYS 12 HZ1 LYS 12 -13.739 3.141 4.464 289 2HZ LYS 12 HZ2 LYS 12 -14.217 1.753 5.325 290 3HZ LYS 12 HZ3 LYS 12 -15.200 2.367 4.082 291 H ALA 13 HN ALA 13 -8.348 1.807 1.177 292 HA ALA 13 HA ALA 13 -9.836 1.787 -1.216 293 1HB ALA 13 HB1 ALA 13 -7.349 2.997 -0.169 294 2HB ALA 13 HB2 ALA 13 -8.709 3.759 -0.989 295 3HB ALA 13 HB3 ALA 13 -7.456 2.955 -1.929 296 H ALA 14 HN ALA 14 -6.690 0.268 -0.560 297 HA ALA 14 HA ALA 14 -6.278 -0.733 -3.255 298 1HB ALA 14 HB1 ALA 14 -5.155 -1.801 -0.649 299 2HB ALA 14 HB2 ALA 14 -4.628 -0.261 -1.331 300 3HB ALA 14 HB3 ALA 14 -4.372 -1.756 -2.232 301 H PHE 15 HN PHE 15 -8.031 -1.872 -0.429 302 HA PHE 15 HA PHE 15 -8.363 -4.641 -1.367 303 1HB PHE 15 HB2 PHE 15 -8.245 -4.028 1.015 304 2HB PHE 15 HB1 PHE 15 -9.631 -2.959 0.829 305 HD1 PHE 15 HD1 PHE 15 -8.515 -6.481 0.870 306 HD2 PHE 15 HD2 PHE 15 -11.889 -3.829 0.721 307 HE1 PHE 15 HE1 PHE 15 -10.030 -8.384 1.356 308 HE2 PHE 15 HE2 PHE 15 -13.407 -5.733 1.203 309 HZ PHE 15 HZ PHE 15 -12.477 -8.011 1.522 310 H ASP 16 HN ASP 16 -10.376 -1.694 -1.123 311 HA ASP 16 HA ASP 16 -12.902 -2.442 -1.907 312 1HB ASP 16 HB2 ASP 16 -11.086 -0.140 -2.324 313 2HB ASP 16 HB1 ASP 16 -12.451 -0.196 -3.435 314 H PHE 17 HN PHE 17 -10.458 -1.494 -4.364 315 HA PHE 17 HA PHE 17 -11.964 -2.684 -6.549 316 1HB PHE 17 HB2 PHE 17 -10.480 -1.473 -7.794 317 2HB PHE 17 HB1 PHE 17 -10.051 -0.754 -6.247 318 HD1 PHE 17 HD1 PHE 17 -8.007 -1.422 -5.064 319 HD2 PHE 17 HD2 PHE 17 -9.037 -3.103 -8.879 320 HE1 PHE 17 HE1 PHE 17 -5.696 -2.285 -5.306 321 HE2 PHE 17 HE2 PHE 17 -6.724 -3.967 -9.123 322 HZ PHE 17 HZ PHE 17 -5.056 -3.556 -7.337 323 H ALA 18 HN ALA 18 -9.305 -3.814 -4.475 324 HA ALA 18 HA ALA 18 -8.410 -6.040 -6.018 325 1HB ALA 18 HB1 ALA 18 -7.625 -6.875 -3.835 326 2HB ALA 18 HB2 ALA 18 -8.716 -5.765 -3.005 327 3HB ALA 18 HB3 ALA 18 -7.361 -5.135 -3.943 328 H VAL 19 HN VAL 19 -11.351 -5.546 -4.172 329 HA VAL 19 HA VAL 19 -12.124 -8.371 -4.041 330 HB VAL 19 HB VAL 19 -13.575 -5.732 -3.615 331 1HG1 VAL 19 HG11 VAL 19 -15.492 -6.859 -3.240 332 2HG1 VAL 19 HG12 VAL 19 -14.667 -8.054 -2.238 333 3HG1 VAL 19 HG13 VAL 19 -14.725 -8.260 -3.989 334 1HG2 VAL 19 HG21 VAL 19 -13.095 -5.996 -1.328 335 2HG2 VAL 19 HG22 VAL 19 -11.596 -6.501 -2.108 336 3HG2 VAL 19 HG23 VAL 19 -12.730 -7.713 -1.506 337 H GLU 20 HN GLU 20 -13.222 -5.525 -5.935 338 HA GLU 20 HA GLU 20 -15.198 -6.747 -7.538 339 1HB GLU 20 HB2 GLU 20 -13.890 -4.293 -7.300 340 2HB GLU 20 HB1 GLU 20 -13.534 -4.796 -8.953 341 1HG GLU 20 HG2 GLU 20 -15.875 -5.029 -9.471 342 2HG GLU 20 HG1 GLU 20 -16.328 -4.839 -7.778 343 H HIS 21 HN HIS 21 -11.679 -6.504 -8.206 344 HA HIS 21 HA HIS 21 -11.973 -8.156 -10.650 345 1HB HIS 21 HB2 HIS 21 -9.583 -6.940 -9.220 346 2HB HIS 21 HB1 HIS 21 -9.527 -7.698 -10.809 347 HD1 HIS 21 HD1 HIS 21 -8.715 -4.813 -10.690 348 HD2 HIS 21 HD2 HIS 21 -12.680 -5.957 -11.256 349 HE1 HIS 21 HE1 HIS 21 -9.885 -2.839 -11.775 350 H GLN 22 HN GLN 22 -12.331 -9.195 -7.694 351 HA GLN 22 HA GLN 22 -11.778 -11.116 -6.449 352 1HB GLN 22 HB2 GLN 22 -12.380 -11.721 -9.078 353 2HB GLN 22 HB1 GLN 22 -10.855 -12.578 -8.831 354 1HG GLN 22 HG2 GLN 22 -12.060 -13.247 -6.524 355 2HG GLN 22 HG1 GLN 22 -13.503 -12.997 -7.505 356 1HE2 GLN 22 HE21 GLN 22 -11.081 -15.280 -6.723 357 2HE2 GLN 22 HE22 GLN 22 -11.374 -16.360 -7.999 358 H SER 23 HN SER 23 -9.577 -9.152 -6.885 359 HA SER 23 HA SER 23 -7.123 -10.743 -7.239 360 1HB SER 23 HB2 SER 23 -7.816 -7.876 -6.587 361 2HB SER 23 HB1 SER 23 -6.150 -8.444 -6.511 362 HG SER 23 HG SER 23 -6.157 -8.791 -8.655 363 H VAL 24 HN VAL 24 -8.991 -9.360 -4.565 364 HA VAL 24 HA VAL 24 -7.499 -9.269 -2.325 365 HB VAL 24 HB VAL 24 -10.116 -10.638 -2.905 366 1HG1 VAL 24 HG11 VAL 24 -10.463 -10.686 -0.391 367 2HG1 VAL 24 HG12 VAL 24 -8.723 -10.443 -0.219 368 3HG1 VAL 24 HG13 VAL 24 -9.338 -11.900 -1.005 369 1HG2 VAL 24 HG21 VAL 24 -9.651 -8.080 -2.844 370 2HG2 VAL 24 HG22 VAL 24 -9.555 -8.289 -1.095 371 3HG2 VAL 24 HG23 VAL 24 -11.044 -8.690 -1.950 372 H GLU 25 HN GLU 25 -8.500 -12.485 -3.621 373 HA GLU 25 HA GLU 25 -7.218 -14.141 -1.733 374 1HB GLU 25 HB2 GLU 25 -7.660 -14.446 -4.723 375 2HB GLU 25 HB1 GLU 25 -7.197 -15.777 -3.662 376 1HG GLU 25 HG2 GLU 25 -9.243 -15.274 -2.269 377 2HG GLU 25 HG1 GLU 25 -9.732 -14.119 -3.507 378 H ARG 26 HN ARG 26 -5.800 -13.527 -4.984 379 HA ARG 26 HA ARG 26 -3.124 -14.274 -4.163 380 1HB ARG 26 HB2 ARG 26 -3.939 -14.427 -6.472 381 2HB ARG 26 HB1 ARG 26 -4.204 -12.684 -6.522 382 1HG ARG 26 HG2 ARG 26 -2.096 -12.504 -7.324 383 2HG ARG 26 HG1 ARG 26 -1.541 -12.941 -5.707 384 1HD ARG 26 HD2 ARG 26 -1.858 -15.397 -6.443 385 2HD ARG 26 HD1 ARG 26 -1.936 -14.750 -8.099 386 HE ARG 26 HE ARG 26 0.309 -13.585 -6.711 387 1HH1 ARG 26 HH21 ARG 26 0.388 -14.666 -9.478 388 2HH1 ARG 26 HH22 ARG 26 1.421 -16.042 -9.303 389 1HH2 ARG 26 HH11 ARG 26 1.099 -16.134 -5.866 390 2HH2 ARG 26 HH12 ARG 26 1.822 -16.875 -7.251 391 H TRP 27 HN TRP 27 -4.890 -11.229 -4.233 392 HA TRP 27 HA TRP 27 -2.731 -9.372 -4.023 393 1HB TRP 27 HB2 TRP 27 -5.182 -8.998 -4.508 394 2HB TRP 27 HB1 TRP 27 -5.503 -9.251 -2.795 395 HD1 TRP 27 HD1 TRP 27 -3.157 -7.010 -4.927 396 HE1 TRP 27 HE1 TRP 27 -3.107 -4.671 -3.834 397 HE3 TRP 27 HE3 TRP 27 -6.160 -7.842 -0.878 398 HZ2 TRP 27 HZ2 TRP 27 -4.186 -3.343 -1.562 399 HZ3 TRP 27 HZ3 TRP 27 -6.631 -6.017 0.733 400 HH2 TRP 27 HH2 TRP 27 -5.650 -3.767 0.396 401 H GLN 28 HN GLN 28 -4.408 -11.294 -1.518 402 HA GLN 28 HA GLN 28 -3.499 -10.057 0.843 403 1HB GLN 28 HB2 GLN 28 -5.107 -11.910 0.736 404 2HB GLN 28 HB1 GLN 28 -3.847 -12.999 0.158 405 1HG GLN 28 HG2 GLN 28 -3.194 -13.441 2.271 406 2HG GLN 28 HG1 GLN 28 -2.966 -11.725 2.599 407 1HE2 GLN 28 HE21 GLN 28 -4.553 -10.683 3.897 408 2HE2 GLN 28 HE22 GLN 28 -5.951 -11.455 4.462 409 H ASP 29 HN ASP 29 -1.786 -12.510 -1.127 410 HA ASP 29 HA ASP 29 0.558 -12.809 0.465 411 1HB ASP 29 HB2 ASP 29 -0.470 -13.824 -1.848 412 2HB ASP 29 HB1 ASP 29 0.802 -12.798 -2.501 413 H MET 30 HN MET 30 0.034 -10.673 -2.365 414 HA MET 30 HA MET 30 2.438 -9.275 -2.493 415 1HB MET 30 HB2 MET 30 -0.453 -8.616 -2.967 416 2HB MET 30 HB1 MET 30 0.741 -7.329 -3.125 417 1HG MET 30 HG2 MET 30 2.040 -9.060 -4.603 418 2HG MET 30 HG1 MET 30 0.471 -9.857 -4.737 419 1HE MET 30 HE1 MET 30 -1.810 -8.275 -5.303 420 2HE MET 30 HE2 MET 30 -1.061 -9.463 -6.369 421 3HE MET 30 HE3 MET 30 -1.586 -7.913 -7.021 422 H LEU 31 HN LEU 31 -0.383 -8.317 -0.472 423 HA LEU 31 HA LEU 31 1.004 -6.126 0.822 424 1HB LEU 31 HB2 LEU 31 -1.570 -7.569 0.973 425 2HB LEU 31 HB1 LEU 31 -1.051 -6.858 2.500 426 HG LEU 31 HG LEU 31 -0.605 -4.706 1.167 427 1HD1 LEU 31 HD11 LEU 31 -1.677 -4.460 -0.946 428 2HD1 LEU 31 HD12 LEU 31 -2.526 -5.995 -0.766 429 3HD1 LEU 31 HD13 LEU 31 -0.774 -5.979 -1.051 430 1HD2 LEU 31 HD21 LEU 31 -3.094 -4.162 1.124 431 2HD2 LEU 31 HD22 LEU 31 -2.486 -4.785 2.656 432 3HD2 LEU 31 HD23 LEU 31 -3.385 -5.844 1.565 433 H ALA 32 HN ALA 32 0.456 -9.541 1.729 434 HA ALA 32 HA ALA 32 1.530 -9.429 4.378 435 1HB ALA 32 HB1 ALA 32 0.403 -11.399 3.805 436 2HB ALA 32 HB2 ALA 32 2.083 -11.925 3.687 437 3HB ALA 32 HB3 ALA 32 1.184 -11.508 2.225 438 H PHE 33 HN PHE 33 3.163 -10.366 1.309 439 HA PHE 33 HA PHE 33 5.812 -10.512 2.424 440 1HB PHE 33 HB2 PHE 33 4.886 -11.440 0.227 441 2HB PHE 33 HB1 PHE 33 5.018 -9.808 -0.420 442 HD1 PHE 33 HD1 PHE 33 7.565 -10.482 2.028 443 HD2 PHE 33 HD2 PHE 33 6.537 -11.059 -2.105 444 HE1 PHE 33 HE1 PHE 33 9.951 -10.880 1.489 445 HE2 PHE 33 HE2 PHE 33 8.925 -11.454 -2.641 446 HZ PHE 33 HZ PHE 33 10.632 -11.368 -0.844 447 H ALA 34 HN ALA 34 4.060 -7.843 0.785 448 HA ALA 34 HA ALA 34 6.199 -5.943 0.735 449 1HB ALA 34 HB1 ALA 34 3.992 -5.811 -0.453 450 2HB ALA 34 HB2 ALA 34 4.373 -4.333 0.433 451 3HB ALA 34 HB3 ALA 34 3.216 -5.486 1.098 452 H ALA 35 HN ALA 35 3.620 -6.422 3.196 453 HA ALA 35 HA ALA 35 4.525 -4.397 5.022 454 1HB ALA 35 HB1 ALA 35 2.311 -5.343 5.138 455 2HB ALA 35 HB2 ALA 35 3.141 -5.785 6.632 456 3HB ALA 35 HB3 ALA 35 2.960 -6.972 5.338 457 H GLU 36 HN GLU 36 5.512 -7.753 4.549 458 HA GLU 36 HA GLU 36 6.954 -8.036 7.041 459 1HB GLU 36 HB2 GLU 36 6.038 -9.821 5.451 460 2HB GLU 36 HB1 GLU 36 7.437 -9.478 4.428 461 1HG GLU 36 HG2 GLU 36 8.740 -10.761 5.738 462 2HG GLU 36 HG1 GLU 36 8.345 -9.760 7.133 463 H VAL 37 HN VAL 37 7.945 -7.109 3.728 464 HA VAL 37 HA VAL 37 10.765 -6.961 4.394 465 HB VAL 37 HB VAL 37 9.463 -7.189 2.109 466 1HG1 VAL 37 HG11 VAL 37 8.240 -5.113 2.157 467 2HG1 VAL 37 HG12 VAL 37 9.485 -4.957 0.918 468 3HG1 VAL 37 HG13 VAL 37 9.707 -4.193 2.490 469 1HG2 VAL 37 HG21 VAL 37 11.609 -7.222 1.432 470 2HG2 VAL 37 HG22 VAL 37 12.092 -6.320 2.869 471 3HG2 VAL 37 HG23 VAL 37 11.611 -5.458 1.407 472 H THR 38 HN THR 38 8.128 -4.545 4.366 473 HA THR 38 HA THR 38 9.731 -2.189 4.699 474 HB THR 38 HB THR 38 7.470 -1.525 5.982 475 HG1 THR 38 HG1 THR 38 6.828 -3.765 6.048 476 1HG2 THR 38 HG21 THR 38 7.020 -0.513 4.028 477 2HG2 THR 38 HG22 THR 38 6.824 -2.054 3.194 478 3HG2 THR 38 HG23 THR 38 8.430 -1.348 3.377 479 H LYS 39 HN LYS 39 8.609 -4.587 7.054 480 HA LYS 39 HA LYS 39 9.694 -2.995 9.325 481 1HB LYS 39 HB2 LYS 39 8.527 -4.673 10.698 482 2HB LYS 39 HB1 LYS 39 7.437 -4.115 9.430 483 1HG LYS 39 HG2 LYS 39 7.596 -6.125 8.221 484 2HG LYS 39 HG1 LYS 39 9.145 -6.550 8.942 485 1HD LYS 39 HD2 LYS 39 8.095 -7.814 10.486 486 2HD LYS 39 HD1 LYS 39 7.205 -6.406 11.061 487 1HE LYS 39 HE2 LYS 39 5.311 -7.410 10.282 488 2HE LYS 39 HE1 LYS 39 5.933 -7.171 8.633 489 1HZ LYS 39 HZ1 LYS 39 7.088 -9.242 8.727 490 2HZ LYS 39 HZ2 LYS 39 5.511 -9.560 9.263 491 3HZ LYS 39 HZ3 LYS 39 6.779 -9.427 10.383 492 H ASN 40 HN ASN 40 11.534 -3.991 7.335 493 HA ASN 40 HA ASN 40 13.031 -6.118 8.834 494 1HB ASN 40 HB2 ASN 40 12.245 -6.717 6.564 495 2HB ASN 40 HB1 ASN 40 13.026 -5.284 5.905 496 1HD2 ASN 40 HD21 ASN 40 13.584 -8.167 5.283 497 2HD2 ASN 40 HD22 ASN 40 15.229 -8.390 5.630 498 H GLU 41 HN GLU 41 14.665 -5.198 9.983 499 HA GLU 41 HA GLU 41 15.671 -2.735 10.266 500 1HB GLU 41 HB2 GLU 41 16.613 -5.392 10.598 501 2HB GLU 41 HB1 GLU 41 17.952 -4.466 9.914 502 1HG GLU 41 HG2 GLU 41 18.243 -4.018 12.176 503 2HG GLU 41 HG1 GLU 41 17.209 -2.668 11.711 504 H GLN 42 HN GLN 42 17.311 -4.794 7.829 505 HA GLN 42 HA GLN 42 18.807 -2.718 6.594 506 1HB GLN 42 HB2 GLN 42 18.028 -5.513 6.097 507 2HB GLN 42 HB1 GLN 42 18.398 -4.609 4.625 508 1HG GLN 42 HG2 GLN 42 20.531 -3.841 5.690 509 2HG GLN 42 HG1 GLN 42 20.182 -4.889 7.064 510 1HE2 GLN 42 HE21 GLN 42 21.290 -6.837 6.895 511 2HE2 GLN 42 HE22 GLN 42 21.633 -7.640 5.442 512 H MET 43 HN MET 43 15.617 -4.036 5.600 513 HA MET 43 HA MET 43 15.356 -2.316 3.286 514 1HB MET 43 HB2 MET 43 14.173 -4.531 3.959 515 2HB MET 43 HB1 MET 43 13.092 -3.501 4.897 516 1HG MET 43 HG2 MET 43 11.986 -3.650 2.830 517 2HG MET 43 HG1 MET 43 12.871 -2.131 2.681 518 1HE MET 43 HE1 MET 43 12.078 -2.709 0.184 519 2HE MET 43 HE2 MET 43 13.448 -3.017 -0.881 520 3HE MET 43 HE3 MET 43 13.535 -1.712 0.301 521 H ALA 44 HN ALA 44 14.387 -1.997 6.696 522 HA ALA 44 HA ALA 44 12.683 0.273 6.512 523 1HB ALA 44 HB1 ALA 44 13.607 0.602 8.918 524 2HB ALA 44 HB2 ALA 44 14.581 -0.833 8.589 525 3HB ALA 44 HB3 ALA 44 12.819 -0.935 8.550 526 H GLU 45 HN GLU 45 16.228 0.212 7.145 527 HA GLU 45 HA GLU 45 16.616 3.058 7.114 528 1HB GLU 45 HB2 GLU 45 18.412 0.689 6.485 529 2HB GLU 45 HB1 GLU 45 19.009 2.341 6.650 530 1HG GLU 45 HG2 GLU 45 17.790 2.320 8.949 531 2HG GLU 45 HG1 GLU 45 17.785 0.567 8.758 532 H LEU 46 HN LEU 46 16.928 0.609 4.526 533 HA LEU 46 HA LEU 46 17.799 2.253 2.387 534 1HB LEU 46 HB2 LEU 46 16.924 -0.370 2.833 535 2HB LEU 46 HB1 LEU 46 15.789 0.260 1.641 536 HG LEU 46 HG LEU 46 18.810 0.420 1.381 537 1HD1 LEU 46 HD11 LEU 46 16.754 -1.561 0.440 538 2HD1 LEU 46 HD12 LEU 46 18.363 -1.856 1.105 539 3HD1 LEU 46 HD13 LEU 46 18.187 -1.253 -0.545 540 1HD2 LEU 46 HD21 LEU 46 17.789 0.694 -1.115 541 2HD2 LEU 46 HD22 LEU 46 18.130 2.071 -0.065 542 3HD2 LEU 46 HD23 LEU 46 16.487 1.435 -0.182 543 H LEU 47 HN LEU 47 14.510 1.684 3.627 544 HA LEU 47 HA LEU 47 13.157 3.225 1.569 545 1HB LEU 47 HB2 LEU 47 12.577 1.723 4.026 546 2HB LEU 47 HB1 LEU 47 11.526 3.124 3.820 547 HG LEU 47 HG LEU 47 11.895 1.708 1.306 548 1HD1 LEU 47 HD11 LEU 47 12.124 -0.160 3.067 549 2HD1 LEU 47 HD12 LEU 47 10.891 -0.372 1.823 550 3HD1 LEU 47 HD13 LEU 47 10.429 0.158 3.441 551 1HD2 LEU 47 HD21 LEU 47 9.915 2.755 1.109 552 2HD2 LEU 47 HD22 LEU 47 9.877 3.097 2.839 553 3HD2 LEU 47 HD23 LEU 47 9.227 1.576 2.224 554 H SER 48 HN SER 48 14.002 3.947 4.989 555 HA SER 48 HA SER 48 13.216 6.786 4.629 556 1HB SER 48 HB2 SER 48 13.744 4.877 6.809 557 2HB SER 48 HB1 SER 48 14.350 6.498 7.138 558 HG SER 48 HG SER 48 12.329 7.297 6.986 559 H GLY 49 HN GLY 49 15.132 6.748 2.880 560 1HA GLY 49 HA2 GLY 49 17.723 7.352 4.260 561 2HA GLY 49 HA1 GLY 49 17.587 6.857 2.577 562 H ALA 50 HN ALA 50 15.482 8.667 1.795 563 HA ALA 50 HA ALA 50 16.585 11.375 2.380 564 1HB ALA 50 HB1 ALA 50 16.583 9.900 -0.262 565 2HB ALA 50 HB2 ALA 50 17.956 10.632 0.571 566 3HB ALA 50 HB3 ALA 50 16.730 11.656 -0.179 567 H LEU 51 HN LEU 51 15.297 13.021 0.914 568 HA LEU 51 HA LEU 51 12.446 12.751 1.488 569 1HB LEU 51 HB2 LEU 51 14.376 14.747 0.411 570 2HB LEU 51 HB1 LEU 51 12.710 14.939 -0.127 571 HG LEU 51 HG LEU 51 13.198 16.232 1.942 572 1HD1 LEU 51 HD11 LEU 51 11.328 13.976 2.646 573 2HD1 LEU 51 HD12 LEU 51 10.935 15.118 1.358 574 3HD1 LEU 51 HD13 LEU 51 11.174 15.696 3.008 575 1HD2 LEU 51 HD21 LEU 51 14.785 14.268 2.723 576 2HD2 LEU 51 HD22 LEU 51 13.308 13.649 3.466 577 3HD2 LEU 51 HD23 LEU 51 13.922 15.242 3.915 578 H ALA 52 HN ALA 52 14.477 11.915 -1.196 579 HA ALA 52 HA ALA 52 12.453 12.126 -3.285 580 1HB ALA 52 HB1 ALA 52 14.883 10.387 -3.480 581 2HB ALA 52 HB2 ALA 52 15.121 12.120 -3.253 582 3HB ALA 52 HB3 ALA 52 14.228 11.529 -4.655 583 HA PRO 53 HA PRO 53 10.513 8.290 -1.998 584 1HB PRO 53 HB2 PRO 53 8.529 8.374 -3.889 585 2HB PRO 53 HB1 PRO 53 8.486 9.319 -2.386 586 1HG PRO 53 HG2 PRO 53 9.250 10.175 -5.139 587 2HG PRO 53 HG1 PRO 53 8.307 11.034 -3.910 588 1HD PRO 53 HD2 PRO 53 10.916 11.577 -4.413 589 2HD PRO 53 HD1 PRO 53 10.174 11.785 -2.808 590 H GLU 54 HN GLU 54 11.732 9.071 -5.216 591 HA GLU 54 HA GLU 54 11.248 6.610 -6.555 592 1HB GLU 54 HB2 GLU 54 13.109 7.372 -8.005 593 2HB GLU 54 HB1 GLU 54 12.017 8.697 -7.607 594 1HG GLU 54 HG2 GLU 54 13.860 8.813 -5.551 595 2HG GLU 54 HG1 GLU 54 14.856 8.351 -6.928 596 H THR 55 HN THR 55 14.104 7.526 -4.574 597 HA THR 55 HA THR 55 15.700 5.243 -4.885 598 HB THR 55 HB THR 55 15.630 6.214 -2.132 599 HG1 THR 55 HG1 THR 55 14.833 8.119 -2.712 600 1HG2 THR 55 HG21 THR 55 17.892 6.433 -2.481 601 2HG2 THR 55 HG22 THR 55 17.684 7.039 -4.125 602 3HG2 THR 55 HG23 THR 55 17.516 5.314 -3.793 603 H LEU 56 HN LEU 56 12.961 5.692 -2.640 604 HA LEU 56 HA LEU 56 13.287 2.892 -1.680 605 1HB LEU 56 HB2 LEU 56 11.613 3.622 0.012 606 2HB LEU 56 HB1 LEU 56 13.012 4.691 -0.042 607 HG LEU 56 HG LEU 56 11.290 5.826 -1.903 608 1HD1 LEU 56 HD11 LEU 56 9.225 5.050 -1.460 609 2HD1 LEU 56 HD12 LEU 56 9.331 5.938 0.062 610 3HD1 LEU 56 HD13 LEU 56 9.769 4.230 0.002 611 1HD2 LEU 56 HD21 LEU 56 10.830 7.445 0.047 612 2HD2 LEU 56 HD22 LEU 56 12.519 7.182 -0.392 613 3HD2 LEU 56 HD23 LEU 56 11.835 6.367 1.016 614 H ALA 57 HN ALA 57 11.211 4.756 -3.811 615 HA ALA 57 HA ALA 57 8.859 3.108 -3.727 616 1HB ALA 57 HB1 ALA 57 10.102 4.946 -5.790 617 2HB ALA 57 HB2 ALA 57 8.802 5.317 -4.656 618 3HB ALA 57 HB3 ALA 57 8.509 4.216 -6.005 619 H GLU 58 HN GLU 58 11.290 3.175 -6.387 620 HA GLU 58 HA GLU 58 10.362 0.643 -7.445 621 1HB GLU 58 HB2 GLU 58 12.672 0.856 -8.709 622 2HB GLU 58 HB1 GLU 58 11.354 1.956 -9.083 623 1HG GLU 58 HG2 GLU 58 12.361 3.646 -7.554 624 2HG GLU 58 HG1 GLU 58 13.699 2.541 -7.241 625 H SER 59 HN SER 59 12.982 1.499 -5.206 626 HA SER 59 HA SER 59 14.408 -0.968 -5.154 627 1HB SER 59 HB2 SER 59 15.364 0.778 -3.926 628 2HB SER 59 HB1 SER 59 13.822 1.264 -3.227 629 HG SER 59 HG SER 59 15.570 -0.078 -1.984 630 H PHE 60 HN PHE 60 11.495 0.019 -3.328 631 HA PHE 60 HA PHE 60 11.184 -2.352 -1.761 632 1HB PHE 60 HB2 PHE 60 10.088 -0.159 -1.385 633 2HB PHE 60 HB1 PHE 60 9.121 -0.403 -2.840 634 HD1 PHE 60 HD1 PHE 60 9.632 -1.395 0.651 635 HD2 PHE 60 HD2 PHE 60 7.397 -2.164 -2.931 636 HE1 PHE 60 HE1 PHE 60 7.989 -2.714 1.956 637 HE2 PHE 60 HE2 PHE 60 5.751 -3.480 -1.624 638 HZ PHE 60 HZ PHE 60 6.050 -3.750 0.823 639 H ILE 61 HN ILE 61 9.316 -1.470 -4.733 640 HA ILE 61 HA ILE 61 8.021 -3.997 -5.001 641 HB ILE 61 HB ILE 61 7.680 -3.267 -7.374 642 1HG1 ILE 61 HG12 ILE 61 8.627 -0.740 -7.577 643 2HG1 ILE 61 HG11 ILE 61 9.917 -1.463 -6.622 644 1HG2 ILE 61 HG21 ILE 61 7.275 -1.341 -5.091 645 2HG2 ILE 61 HG22 ILE 61 6.086 -2.363 -5.904 646 3HG2 ILE 61 HG23 ILE 61 6.730 -0.936 -6.720 647 1HD1 ILE 61 HD11 ILE 61 9.013 -3.136 -8.875 648 2HD1 ILE 61 HD12 ILE 61 10.651 -2.740 -8.353 649 3HD1 ILE 61 HD13 ILE 61 9.748 -1.606 -9.358 650 H ALA 62 HN ALA 62 11.277 -3.013 -5.931 651 HA ALA 62 HA ALA 62 11.809 -5.262 -7.699 652 1HB ALA 62 HB1 ALA 62 14.139 -4.425 -7.463 653 2HB ALA 62 HB2 ALA 62 13.616 -3.382 -6.137 654 3HB ALA 62 HB3 ALA 62 13.005 -3.107 -7.771 655 H VAL 63 HN VAL 63 12.808 -4.556 -4.300 656 HA VAL 63 HA VAL 63 14.155 -7.010 -3.804 657 HB VAL 63 HB VAL 63 14.044 -4.857 -2.427 658 1HG1 VAL 63 HG11 VAL 63 11.391 -6.092 -1.756 659 2HG1 VAL 63 HG12 VAL 63 11.805 -4.398 -2.013 660 3HG1 VAL 63 HG13 VAL 63 12.265 -5.199 -0.512 661 1HG2 VAL 63 HG21 VAL 63 15.226 -6.805 -1.595 662 2HG2 VAL 63 HG22 VAL 63 13.712 -7.554 -1.083 663 3HG2 VAL 63 HG23 VAL 63 14.301 -6.105 -0.265 664 H CYS 64 HN CYS 64 10.725 -6.388 -4.047 665 HA CYS 64 HA CYS 64 9.800 -8.733 -2.598 666 1HB CYS 64 HB2 CYS 64 8.610 -6.528 -3.239 667 2HB CYS 64 HB1 CYS 64 8.394 -7.249 -4.833 668 HG CYS 64 HG CYS 64 7.148 -8.407 -2.208 669 H GLY 65 HN GLY 65 11.277 -8.323 -5.702 670 1HA GLY 65 HA2 GLY 65 11.943 -10.160 -7.110 671 2HA GLY 65 HA1 GLY 65 10.705 -11.162 -6.352 672 H GLU 66 HN GLU 66 10.135 -7.917 -7.635 673 HA GLU 66 HA GLU 66 8.587 -7.162 -9.255 674 1HB GLU 66 HB2 GLU 66 10.142 -9.446 -10.431 675 2HB GLU 66 HB1 GLU 66 8.899 -8.654 -11.402 676 1HG GLU 66 HG2 GLU 66 10.001 -6.445 -10.870 677 2HG GLU 66 HG1 GLU 66 11.312 -7.346 -10.111 678 H GLN 67 HN GLN 67 7.632 -9.461 -7.350 679 HA GLN 67 HA GLN 67 5.570 -10.759 -9.046 680 1HB GLN 67 HB2 GLN 67 5.159 -12.039 -6.945 681 2HB GLN 67 HB1 GLN 67 6.857 -12.073 -7.425 682 1HG GLN 67 HG2 GLN 67 7.489 -11.064 -5.508 683 2HG GLN 67 HG1 GLN 67 6.318 -9.768 -5.738 684 1HE2 GLN 67 HE21 GLN 67 6.499 -13.176 -4.596 685 2HE2 GLN 67 HE22 GLN 67 5.236 -13.014 -3.476 686 H LEU 68 HN LEU 68 5.160 -7.967 -8.871 687 HA LEU 68 HA LEU 68 2.711 -7.820 -7.132 688 1HB LEU 68 HB2 LEU 68 4.825 -5.732 -7.764 689 2HB LEU 68 HB1 LEU 68 3.305 -5.365 -6.953 690 HG LEU 68 HG LEU 68 5.038 -7.559 -5.864 691 1HD1 LEU 68 HD11 LEU 68 6.157 -5.840 -4.436 692 2HD1 LEU 68 HD12 LEU 68 5.421 -4.582 -5.431 693 3HD1 LEU 68 HD13 LEU 68 6.590 -5.698 -6.141 694 1HD2 LEU 68 HD21 LEU 68 4.040 -6.656 -3.739 695 2HD2 LEU 68 HD22 LEU 68 2.842 -7.252 -4.890 696 3HD2 LEU 68 HD23 LEU 68 3.113 -5.517 -4.718 697 H ASP 69 HN ASP 69 0.891 -7.496 -8.363 698 HA ASP 69 HA ASP 69 0.952 -7.055 -11.199 699 1HB ASP 69 HB2 ASP 69 -1.202 -6.801 -9.073 700 2HB ASP 69 HB1 ASP 69 -1.532 -6.742 -10.803 701 H GLU 70 HN GLU 70 -0.384 -5.140 -12.143 702 HA GLU 70 HA GLU 70 0.915 -2.729 -12.143 703 1HB GLU 70 HB2 GLU 70 -2.110 -2.811 -12.125 704 2HB GLU 70 HB1 GLU 70 -1.055 -1.786 -13.091 705 1HG GLU 70 HG2 GLU 70 -0.226 -3.933 -14.219 706 2HG GLU 70 HG1 GLU 70 -1.573 -4.752 -13.427 707 H ASN 71 HN ASN 71 -1.922 -3.291 -9.994 708 HA ASN 71 HA ASN 71 -1.836 -0.841 -8.588 709 1HB ASN 71 HB2 ASN 71 -3.149 -2.045 -6.895 710 2HB ASN 71 HB1 ASN 71 -3.646 -2.539 -8.510 711 1HD2 ASN 71 HD21 ASN 71 -1.939 -3.618 -5.595 712 2HD2 ASN 71 HD22 ASN 71 -1.869 -5.253 -6.043 713 H GLY 72 HN GLY 72 0.083 -3.784 -7.982 714 1HA GLY 72 HA2 GLY 72 1.149 -3.008 -5.434 715 2HA GLY 72 HA1 GLY 72 1.930 -4.123 -6.555 716 H GLN 73 HN GLN 73 2.201 -2.330 -8.753 717 HA GLN 73 HA GLN 73 4.601 -0.865 -7.938 718 1HB GLN 73 HB2 GLN 73 3.007 -1.169 -10.503 719 2HB GLN 73 HB1 GLN 73 4.502 -0.238 -10.415 720 1HG GLN 73 HG2 GLN 73 5.279 -2.560 -9.201 721 2HG GLN 73 HG1 GLN 73 4.102 -3.173 -10.361 722 1HE2 GLN 73 HE21 GLN 73 7.342 -2.596 -10.093 723 2HE2 GLN 73 HE22 GLN 73 7.707 -2.284 -11.719 724 H ASN 74 HN ASN 74 1.280 -0.006 -8.911 725 HA ASN 74 HA ASN 74 1.655 2.861 -8.966 726 1HB ASN 74 HB2 ASN 74 -0.757 1.062 -8.538 727 2HB ASN 74 HB1 ASN 74 -0.870 2.797 -8.818 728 1HD2 ASN 74 HD21 ASN 74 -1.603 0.281 -10.524 729 2HD2 ASN 74 HD22 ASN 74 -0.913 0.626 -12.033 730 H LEU 75 HN LEU 75 0.564 0.611 -6.412 731 HA LEU 75 HA LEU 75 -0.120 2.584 -4.441 732 1HB LEU 75 HB2 LEU 75 -0.888 0.289 -4.351 733 2HB LEU 75 HB1 LEU 75 0.767 -0.313 -4.300 734 HG LEU 75 HG LEU 75 0.534 1.538 -2.166 735 1HD1 LEU 75 HD11 LEU 75 -1.927 1.269 -2.421 736 2HD1 LEU 75 HD12 LEU 75 -1.335 0.638 -0.884 737 3HD1 LEU 75 HD13 LEU 75 -1.734 -0.471 -2.197 738 1HD2 LEU 75 HD21 LEU 75 1.370 -0.233 -0.946 739 2HD2 LEU 75 HD22 LEU 75 1.703 -0.837 -2.571 740 3HD2 LEU 75 HD23 LEU 75 0.278 -1.399 -1.694 741 H ILE 76 HN ILE 76 2.882 0.602 -4.714 742 HA ILE 76 HA ILE 76 4.268 1.721 -2.523 743 HB ILE 76 HB ILE 76 5.287 0.679 -5.187 744 1HG1 ILE 76 HG12 ILE 76 3.921 -0.958 -4.001 745 2HG1 ILE 76 HG11 ILE 76 5.613 -1.415 -3.827 746 1HG2 ILE 76 HG21 ILE 76 7.087 0.147 -3.054 747 2HG2 ILE 76 HG22 ILE 76 6.693 1.865 -2.967 748 3HG2 ILE 76 HG23 ILE 76 7.359 1.186 -4.454 749 1HD1 ILE 76 HD11 ILE 76 4.416 -1.583 -1.670 750 2HD1 ILE 76 HD12 ILE 76 3.996 0.126 -1.774 751 3HD1 ILE 76 HD13 ILE 76 5.684 -0.358 -1.605 752 H ARG 77 HN ARG 77 4.195 2.942 -5.909 753 HA ARG 77 HA ARG 77 6.059 5.096 -5.450 754 1HB ARG 77 HB2 ARG 77 4.123 4.215 -7.502 755 2HB ARG 77 HB1 ARG 77 4.382 5.961 -7.465 756 1HG ARG 77 HG2 ARG 77 6.902 5.412 -7.407 757 2HG ARG 77 HG1 ARG 77 6.434 3.777 -7.877 758 1HD ARG 77 HD2 ARG 77 4.989 5.280 -9.669 759 2HD ARG 77 HD1 ARG 77 6.469 6.250 -9.491 760 HE ARG 77 HE ARG 77 6.582 3.296 -10.063 761 1HH1 ARG 77 HH11 ARG 77 6.554 5.563 -12.195 762 2HH1 ARG 77 HH12 ARG 77 8.232 5.594 -12.607 763 1HH2 ARG 77 HH21 ARG 77 9.193 3.746 -9.863 764 2HH2 ARG 77 HH22 ARG 77 9.727 4.568 -11.285 765 H VAL 78 HN VAL 78 2.451 5.149 -5.562 766 HA VAL 78 HA VAL 78 2.068 7.839 -4.708 767 HB VAL 78 HB VAL 78 0.556 5.281 -4.799 768 1HG1 VAL 78 HG11 VAL 78 -1.371 6.367 -3.526 769 2HG1 VAL 78 HG12 VAL 78 -0.192 7.520 -2.899 770 3HG1 VAL 78 HG13 VAL 78 -0.028 5.802 -2.530 771 1HG2 VAL 78 HG21 VAL 78 -1.154 7.303 -5.457 772 2HG2 VAL 78 HG22 VAL 78 -0.040 6.545 -6.598 773 3HG2 VAL 78 HG23 VAL 78 0.402 8.060 -5.806 774 H MET 79 HN MET 79 2.358 4.847 -2.768 775 HA MET 79 HA MET 79 2.052 5.985 -0.170 776 1HB MET 79 HB2 MET 79 3.460 3.601 -1.370 777 2HB MET 79 HB1 MET 79 3.545 3.902 0.367 778 1HG MET 79 HG2 MET 79 0.820 4.164 -0.642 779 2HG MET 79 HG1 MET 79 1.491 2.568 -0.978 780 1HE MET 79 HE1 MET 79 2.419 1.025 2.230 781 2HE MET 79 HE2 MET 79 3.584 2.266 1.773 782 3HE MET 79 HE3 MET 79 2.806 1.295 0.524 783 H ALA 80 HN ALA 80 4.947 5.592 -2.233 784 HA ALA 80 HA ALA 80 6.823 6.723 -0.312 785 1HB ALA 80 HB1 ALA 80 8.231 6.853 -2.438 786 2HB ALA 80 HB2 ALA 80 6.817 6.265 -3.314 787 3HB ALA 80 HB3 ALA 80 7.574 5.254 -2.083 788 H GLU 81 HN GLU 81 4.944 7.986 -3.052 789 HA GLU 81 HA GLU 81 5.913 10.630 -3.270 790 1HB GLU 81 HB2 GLU 81 4.103 9.188 -4.523 791 2HB GLU 81 HB1 GLU 81 2.984 9.909 -3.372 792 1HG GLU 81 HG2 GLU 81 3.507 12.134 -4.139 793 2HG GLU 81 HG1 GLU 81 4.853 11.542 -5.112 794 H ASN 82 HN ASN 82 3.776 9.216 -0.826 795 HA ASN 82 HA ASN 82 3.137 11.837 0.381 796 1HB ASN 82 HB2 ASN 82 2.390 8.946 0.767 797 2HB ASN 82 HB1 ASN 82 1.984 10.127 2.013 798 1HD2 ASN 82 HD21 ASN 82 1.781 9.901 -1.599 799 2HD2 ASN 82 HD22 ASN 82 0.250 10.621 -1.686 800 H GLY 83 HN GLY 83 5.898 10.040 0.496 801 1HA GLY 83 HA2 GLY 83 7.718 10.066 1.983 802 2HA GLY 83 HA1 GLY 83 6.858 11.294 2.907 803 H ARG 84 HN ARG 84 5.756 7.972 2.219 804 HA ARG 84 HA ARG 84 6.402 7.076 4.944 805 1HB ARG 84 HB2 ARG 84 4.336 8.628 4.974 806 2HB ARG 84 HB1 ARG 84 3.482 7.297 4.186 807 1HG ARG 84 HG2 ARG 84 3.127 7.036 6.552 808 2HG ARG 84 HG1 ARG 84 4.293 5.803 6.077 809 1HD ARG 84 HD2 ARG 84 5.857 8.068 6.689 810 2HD ARG 84 HD1 ARG 84 4.633 7.979 7.971 811 HE ARG 84 HE ARG 84 6.153 5.510 7.195 812 1HH1 ARG 84 HH11 ARG 84 7.696 7.234 9.013 813 2HH1 ARG 84 HH12 ARG 84 7.209 6.676 10.576 814 1HH2 ARG 84 HH21 ARG 84 4.421 5.041 9.392 815 2HH2 ARG 84 HH22 ARG 84 5.358 5.444 10.790 816 H LEU 85 HN LEU 85 6.858 6.086 2.161 817 HA LEU 85 HA LEU 85 5.175 3.872 1.479 818 1HB LEU 85 HB2 LEU 85 7.100 5.092 0.226 819 2HB LEU 85 HB1 LEU 85 8.172 3.996 1.081 820 HG LEU 85 HG LEU 85 6.878 3.508 -1.355 821 1HD1 LEU 85 HD11 LEU 85 7.820 1.226 -1.070 822 2HD1 LEU 85 HD12 LEU 85 8.133 1.596 0.625 823 3HD1 LEU 85 HD13 LEU 85 8.967 2.497 -0.644 824 1HD2 LEU 85 HD21 LEU 85 4.789 2.836 -0.601 825 2HD2 LEU 85 HD22 LEU 85 5.413 2.207 0.917 826 3HD2 LEU 85 HD23 LEU 85 5.658 1.308 -0.573 827 H ASN 86 HN ASN 86 7.632 4.203 3.983 828 HA ASN 86 HA ASN 86 8.128 1.370 4.357 829 1HB ASN 86 HB2 ASN 86 9.431 2.102 6.189 830 2HB ASN 86 HB1 ASN 86 9.495 3.459 5.070 831 1HD2 ASN 86 HD21 ASN 86 9.334 3.011 8.254 832 2HD2 ASN 86 HD22 ASN 86 8.283 4.260 8.708 833 H ALA 87 HN ALA 87 5.332 3.211 5.017 834 HA ALA 87 HA ALA 87 4.545 1.762 7.464 835 1HB ALA 87 HB1 ALA 87 3.986 4.205 6.309 836 2HB ALA 87 HB2 ALA 87 3.062 3.481 7.625 837 3HB ALA 87 HB3 ALA 87 2.523 3.287 5.956 838 H LEU 88 HN LEU 88 5.058 -0.006 5.232 839 HA LEU 88 HA LEU 88 2.633 -0.776 3.869 840 1HB LEU 88 HB2 LEU 88 5.287 -1.311 3.655 841 2HB LEU 88 HB1 LEU 88 4.732 -2.803 4.406 842 HG LEU 88 HG LEU 88 4.575 -3.155 2.048 843 1HD1 LEU 88 HD11 LEU 88 2.572 -3.833 3.394 844 2HD1 LEU 88 HD12 LEU 88 2.199 -3.492 1.704 845 3HD1 LEU 88 HD13 LEU 88 1.811 -2.305 2.949 846 1HD2 LEU 88 HD21 LEU 88 4.737 -1.073 1.030 847 2HD2 LEU 88 HD22 LEU 88 3.514 -0.354 2.078 848 3HD2 LEU 88 HD23 LEU 88 3.029 -1.436 0.772 849 HA PRO 89 HA PRO 89 2.279 -4.049 7.394 850 1HB PRO 89 HB2 PRO 89 3.345 -3.344 9.825 851 2HB PRO 89 HB1 PRO 89 4.223 -4.315 8.624 852 1HG PRO 89 HG2 PRO 89 4.452 -1.413 9.248 853 2HG PRO 89 HG1 PRO 89 5.716 -2.583 8.836 854 1HD PRO 89 HD2 PRO 89 4.718 -0.774 7.074 855 2HD PRO 89 HD1 PRO 89 5.380 -2.345 6.581 856 H ASP 90 HN ASP 90 2.469 -0.613 8.233 857 HA ASP 90 HA ASP 90 0.389 -0.308 10.105 858 1HB ASP 90 HB2 ASP 90 1.177 1.419 7.719 859 2HB ASP 90 HB1 ASP 90 0.273 1.989 9.116 860 H VAL 91 HN VAL 91 0.249 -0.793 6.594 861 HA VAL 91 HA VAL 91 -2.703 -0.507 6.525 862 HB VAL 91 HB VAL 91 -2.408 -0.141 4.282 863 1HG1 VAL 91 HG11 VAL 91 -0.394 0.919 3.729 864 2HG1 VAL 91 HG12 VAL 91 0.570 -0.194 4.701 865 3HG1 VAL 91 HG13 VAL 91 -0.419 1.033 5.489 866 1HG2 VAL 91 HG21 VAL 91 -0.396 -2.409 4.308 867 2HG2 VAL 91 HG22 VAL 91 -0.836 -1.501 2.862 868 3HG2 VAL 91 HG23 VAL 91 -2.053 -2.463 3.704 869 H LEU 92 HN LEU 92 -0.226 -3.046 6.238 870 HA LEU 92 HA LEU 92 -1.780 -5.248 5.412 871 1HB LEU 92 HB2 LEU 92 0.526 -5.581 5.562 872 2HB LEU 92 HB1 LEU 92 0.638 -4.803 7.136 873 HG LEU 92 HG LEU 92 -0.856 -6.882 7.885 874 1HD1 LEU 92 HD11 LEU 92 -0.725 -7.570 5.320 875 2HD1 LEU 92 HD12 LEU 92 -0.666 -8.791 6.592 876 3HD1 LEU 92 HD13 LEU 92 0.824 -8.249 5.821 877 1HD2 LEU 92 HD21 LEU 92 1.076 -7.751 8.817 878 2HD2 LEU 92 HD22 LEU 92 1.634 -6.135 8.382 879 3HD2 LEU 92 HD23 LEU 92 2.021 -7.511 7.346 880 H GLU 93 HN GLU 93 -1.123 -4.311 8.836 881 HA GLU 93 HA GLU 93 -2.812 -6.171 10.131 882 1HB GLU 93 HB2 GLU 93 -2.211 -3.261 10.791 883 2HB GLU 93 HB1 GLU 93 -2.858 -4.434 11.936 884 1HG GLU 93 HG2 GLU 93 -0.152 -4.524 10.564 885 2HG GLU 93 HG1 GLU 93 -0.465 -4.310 12.282 886 H GLN 94 HN GLN 94 -3.628 -2.974 8.782 887 HA GLN 94 HA GLN 94 -6.415 -2.920 9.514 888 1HB GLN 94 HB2 GLN 94 -4.487 -1.323 8.224 889 2HB GLN 94 HB1 GLN 94 -5.718 -1.604 6.997 890 1HG GLN 94 HG2 GLN 94 -6.616 0.261 8.037 891 2HG GLN 94 HG1 GLN 94 -7.371 -1.008 8.993 892 1HE2 GLN 94 HE21 GLN 94 -3.986 0.258 9.176 893 2HE2 GLN 94 HE22 GLN 94 -4.105 0.707 10.805 894 H PHE 95 HN PHE 95 -4.757 -3.913 6.501 895 HA PHE 95 HA PHE 95 -7.023 -4.684 4.954 896 1HB PHE 95 HB2 PHE 95 -4.964 -4.435 3.857 897 2HB PHE 95 HB1 PHE 95 -4.092 -5.358 5.074 898 HD1 PHE 95 HD1 PHE 95 -7.251 -6.341 3.320 899 HD2 PHE 95 HD2 PHE 95 -3.032 -7.015 3.771 900 HE1 PHE 95 HE1 PHE 95 -7.420 -8.366 1.897 901 HE2 PHE 95 HE2 PHE 95 -3.201 -9.039 2.351 902 HZ PHE 95 HZ PHE 95 -5.397 -9.716 1.412 903 H ILE 96 HN ILE 96 -5.004 -6.717 7.150 904 HA ILE 96 HA ILE 96 -6.251 -9.216 6.704 905 HB ILE 96 HB ILE 96 -4.626 -7.891 8.755 906 1HG1 ILE 96 HG12 ILE 96 -3.761 -10.327 8.876 907 2HG1 ILE 96 HG11 ILE 96 -4.869 -10.644 7.540 908 1HG2 ILE 96 HG21 ILE 96 -5.120 -9.642 10.510 909 2HG2 ILE 96 HG22 ILE 96 -6.582 -10.046 9.608 910 3HG2 ILE 96 HG23 ILE 96 -6.393 -8.437 10.309 911 1HD1 ILE 96 HD11 ILE 96 -2.541 -10.049 6.800 912 2HD1 ILE 96 HD12 ILE 96 -2.774 -8.454 7.517 913 3HD1 ILE 96 HD13 ILE 96 -3.783 -8.970 6.165 914 H HIS 97 HN HIS 97 -7.271 -6.588 8.901 915 HA HIS 97 HA HIS 97 -9.574 -7.942 9.991 916 1HB HIS 97 HB2 HIS 97 -8.354 -5.904 10.874 917 2HB HIS 97 HB1 HIS 97 -9.116 -4.968 9.586 918 HD1 HIS 97 HD1 HIS 97 -11.735 -4.732 9.670 919 HD2 HIS 97 HD2 HIS 97 -10.064 -6.576 13.014 920 HE1 HIS 97 HE1 HIS 97 -13.541 -4.754 11.455 921 H LEU 98 HN LEU 98 -9.120 -5.827 7.144 922 HA LEU 98 HA LEU 98 -11.854 -5.514 6.391 923 1HB LEU 98 HB2 LEU 98 -9.212 -5.102 5.306 924 2HB LEU 98 HB1 LEU 98 -10.239 -5.819 4.064 925 HG LEU 98 HG LEU 98 -11.960 -4.076 4.522 926 1HD1 LEU 98 HD11 LEU 98 -11.709 -3.247 6.655 927 2HD1 LEU 98 HD12 LEU 98 -10.754 -2.037 5.796 928 3HD1 LEU 98 HD13 LEU 98 -9.950 -3.380 6.611 929 1HD2 LEU 98 HD21 LEU 98 -9.485 -2.498 4.055 930 2HD2 LEU 98 HD22 LEU 98 -10.953 -2.604 3.080 931 3HD2 LEU 98 HD23 LEU 98 -9.738 -3.880 2.989 932 H ARG 99 HN ARG 99 -9.518 -8.139 5.677 933 HA ARG 99 HA ARG 99 -11.254 -9.682 3.980 934 1HB ARG 99 HB2 ARG 99 -8.718 -9.925 4.431 935 2HB ARG 99 HB1 ARG 99 -9.181 -10.809 5.890 936 1HG ARG 99 HG2 ARG 99 -10.621 -12.287 4.396 937 2HG ARG 99 HG1 ARG 99 -9.845 -11.521 3.014 938 1HD ARG 99 HD2 ARG 99 -7.778 -12.530 3.437 939 2HD ARG 99 HD1 ARG 99 -8.114 -12.725 5.175 940 HE ARG 99 HE ARG 99 -10.024 -14.195 3.518 941 1HH1 ARG 99 HH11 ARG 99 -6.737 -14.588 3.501 942 2HH1 ARG 99 HH12 ARG 99 -6.741 -16.165 4.204 943 1HH2 ARG 99 HH21 ARG 99 -10.104 -16.054 5.021 944 2HH2 ARG 99 HH22 ARG 99 -8.649 -16.998 5.069 945 H ALA 100 HN ALA 100 -10.624 -9.900 7.524 946 HA ALA 100 HA ALA 100 -12.482 -11.944 8.173 947 1HB ALA 100 HB1 ALA 100 -10.730 -10.552 9.569 948 2HB ALA 100 HB2 ALA 100 -12.160 -11.197 10.377 949 3HB ALA 100 HB3 ALA 100 -12.109 -9.498 9.898 950 H VAL 101 HN VAL 101 -13.036 -8.434 7.754 951 HA VAL 101 HA VAL 101 -15.842 -8.475 8.482 952 HB VAL 101 HB VAL 101 -14.052 -6.641 6.858 953 1HG1 VAL 101 HG11 VAL 101 -16.267 -6.265 5.982 954 2HG1 VAL 101 HG12 VAL 101 -15.951 -4.972 7.143 955 3HG1 VAL 101 HG13 VAL 101 -16.978 -6.334 7.596 956 1HG2 VAL 101 HG21 VAL 101 -13.769 -6.910 9.371 957 2HG2 VAL 101 HG22 VAL 101 -15.394 -6.240 9.547 958 3HG2 VAL 101 HG23 VAL 101 -14.109 -5.264 8.832 959 H SER 102 HN SER 102 -14.085 -8.819 5.397 960 HA SER 102 HA SER 102 -16.496 -9.028 3.762 961 1HB SER 102 HB2 SER 102 -14.204 -8.341 2.975 962 2HB SER 102 HB1 SER 102 -13.657 -9.997 3.248 963 HG SER 102 HG SER 102 -15.900 -10.120 1.825 964 H GLU 103 HN GLU 103 -14.393 -11.281 5.494 965 HA GLU 103 HA GLU 103 -15.810 -13.668 4.447 966 1HB GLU 103 HB2 GLU 103 -13.274 -12.985 5.560 967 2HB GLU 103 HB1 GLU 103 -14.020 -14.157 6.648 968 1HG GLU 103 HG2 GLU 103 -14.021 -15.826 5.076 969 2HG GLU 103 HG1 GLU 103 -14.226 -14.709 3.727 970 H ALA 104 HN ALA 104 -17.397 -11.760 5.989 971 HA ALA 104 HA ALA 104 -18.207 -13.556 8.220 972 1HB ALA 104 HB1 ALA 104 -16.737 -11.916 9.181 973 2HB ALA 104 HB2 ALA 104 -18.381 -11.430 9.605 974 3HB ALA 104 HB3 ALA 104 -17.526 -10.608 8.297 975 H THR 105 HN THR 105 -19.075 -10.998 5.938 976 HA THR 105 HA THR 105 -21.969 -11.424 6.598 977 HB THR 105 HB THR 105 -20.808 -8.954 5.293 978 HG1 THR 105 HG1 THR 105 -19.638 -9.246 7.205 979 1HG2 THR 105 HG21 THR 105 -22.759 -7.901 6.086 980 2HG2 THR 105 HG22 THR 105 -23.079 -9.183 7.252 981 3HG2 THR 105 HG23 THR 105 -23.318 -9.478 5.535
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