NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
8106 | 1lkn | 5357 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 9.288 -13.511 -5.023 2 2H MET 1 HT2 MET 1 8.330 -13.541 -6.445 3 3H MET 1 HT3 MET 1 7.826 -14.408 -5.054 4 HA MET 1 HA MET 1 7.684 -12.306 -3.856 5 1HB MET 1 HB1 MET 1 9.061 -11.424 -6.145 6 2HB MET 1 HB2 MET 1 7.470 -10.682 -6.238 7 1HG MET 1 HG2 MET 1 8.434 -9.095 -4.983 8 2HG MET 1 HG1 MET 1 8.048 -10.198 -3.663 9 1HE MET 1 HE1 MET 1 11.222 -10.160 -1.924 10 2HE MET 1 HE2 MET 1 10.095 -11.493 -2.179 11 3HE MET 1 HE3 MET 1 9.486 -9.851 -1.969 12 H GLU 2 HN GLU 2 5.614 -11.407 -3.654 13 HA GLU 2 HA GLU 2 3.638 -12.262 -5.660 14 1HB GLU 2 HB2 GLU 2 3.749 -12.865 -2.760 15 2HB GLU 2 HB1 GLU 2 2.173 -12.411 -3.396 16 1HG GLU 2 HG1 GLU 2 2.061 -14.254 -4.794 17 2HG GLU 2 HG2 GLU 2 3.803 -14.516 -4.751 18 H VAL 3 HN VAL 3 4.511 -9.799 -5.917 19 HA VAL 3 HA VAL 3 2.692 -8.039 -4.425 20 HB VAL 3 HB VAL 3 4.805 -7.005 -6.276 21 1HG1 VAL 3 HG21 VAL 3 3.251 -5.402 -5.399 22 2HG1 VAL 3 HG22 VAL 3 4.820 -5.154 -4.634 23 3HG1 VAL 3 HG23 VAL 3 3.531 -5.971 -3.754 24 1HG2 VAL 3 HG11 VAL 3 6.126 -6.877 -3.963 25 2HG2 VAL 3 HG12 VAL 3 6.302 -8.227 -5.084 26 3HG2 VAL 3 HG13 VAL 3 5.235 -8.374 -3.686 27 H LYS 4 HN LYS 4 0.797 -7.729 -5.392 28 HA LYS 4 HA LYS 4 0.757 -7.508 -8.328 29 1HB LYS 4 HB1 LYS 4 -1.419 -8.408 -8.362 30 2HB LYS 4 HB2 LYS 4 -0.535 -9.406 -7.222 31 1HG LYS 4 HG2 LYS 4 -1.913 -7.155 -5.966 32 2HG LYS 4 HG1 LYS 4 -2.986 -8.284 -6.791 33 1HD LYS 4 HD1 LYS 4 -1.588 -10.093 -5.548 34 2HD LYS 4 HD2 LYS 4 -1.143 -8.753 -4.492 35 1HE LYS 4 HE1 LYS 4 -3.320 -8.436 -3.756 36 2HE LYS 4 HE2 LYS 4 -4.014 -9.269 -5.148 37 1HZ LYS 4 HZ1 LYS 4 -2.366 -10.683 -3.138 38 2HZ LYS 4 HZ2 LYS 4 -3.423 -11.345 -4.281 39 3HZ LYS 4 HZ3 LYS 4 -4.037 -10.496 -2.953 40 H ILE 5 HN ILE 5 -0.383 -5.847 -9.306 41 HA ILE 5 HA ILE 5 -1.157 -3.639 -7.508 42 HB ILE 5 HB ILE 5 -0.264 -3.366 -10.377 43 1HG1 ILE 5 HG11 ILE 5 1.637 -4.185 -9.176 44 2HG1 ILE 5 HG12 ILE 5 1.851 -2.447 -9.353 45 1HG2 ILE 5 HG21 ILE 5 -0.661 -1.174 -10.183 46 2HG2 ILE 5 HG22 ILE 5 0.003 -1.104 -8.550 47 3HG2 ILE 5 HG23 ILE 5 -1.663 -1.625 -8.802 48 1HD1 ILE 5 HD11 ILE 5 1.052 -3.969 -6.898 49 2HD1 ILE 5 HD12 ILE 5 0.905 -2.217 -7.034 50 3HD1 ILE 5 HD13 ILE 5 2.490 -2.981 -7.156 51 H GLU 6 HN GLU 6 -3.274 -3.274 -7.448 52 HA GLU 6 HA GLU 6 -4.835 -3.358 -9.895 53 1HB GLU 6 HB2 GLU 6 -4.765 -5.646 -8.442 54 2HB GLU 6 HB1 GLU 6 -6.119 -4.827 -7.675 55 1HG GLU 6 HG2 GLU 6 -7.193 -4.586 -9.870 56 2HG GLU 6 HG1 GLU 6 -5.852 -5.464 -10.604 57 H LYS 7 HN LYS 7 -6.720 -2.152 -9.822 58 HA LYS 7 HA LYS 7 -7.039 -0.493 -7.411 59 1HB LYS 7 HB1 LYS 7 -7.689 0.105 -10.302 60 2HB LYS 7 HB2 LYS 7 -8.113 1.157 -8.958 61 1HG LYS 7 HG1 LYS 7 -6.176 2.149 -9.568 62 2HG LYS 7 HG2 LYS 7 -5.510 0.935 -8.474 63 1HD LYS 7 HD1 LYS 7 -4.534 -0.223 -10.145 64 2HD LYS 7 HD2 LYS 7 -5.878 0.051 -11.256 65 1HE LYS 7 HE1 LYS 7 -3.883 1.148 -12.079 66 2HE LYS 7 HE2 LYS 7 -5.089 2.349 -11.617 67 1HZ LYS 7 HZ1 LYS 7 -3.796 3.140 -9.984 68 2HZ LYS 7 HZ2 LYS 7 -2.532 2.418 -10.846 69 3HZ LYS 7 HZ3 LYS 7 -3.224 1.615 -9.527 70 HA PRO 8 HA PRO 8 -10.729 -3.146 -7.111 71 1HB PRO 8 HB2 PRO 8 -11.060 -1.368 -4.746 72 2HB PRO 8 HB1 PRO 8 -11.211 -3.123 -4.864 73 1HG PRO 8 HG1 PRO 8 -9.049 -1.989 -3.773 74 2HG PRO 8 HG2 PRO 8 -8.934 -3.464 -4.746 75 1HD PRO 8 HD2 PRO 8 -8.154 -0.685 -5.426 76 2HD PRO 8 HD1 PRO 8 -7.471 -2.221 -5.984 77 H THR 9 HN THR 9 -12.597 -2.778 -8.052 78 HA THR 9 HA THR 9 -13.472 -0.039 -8.543 79 HB THR 9 HB THR 9 -13.671 -1.202 -10.534 80 HG1 THR 9 HG1 THR 9 -15.778 -1.212 -10.919 81 1HG2 THR 9 HG21 THR 9 -13.142 -3.402 -10.113 82 2HG2 THR 9 HG22 THR 9 -14.834 -3.496 -10.604 83 3HG2 THR 9 HG23 THR 9 -14.405 -3.581 -8.895 84 HA PRO 10 HA PRO 10 -16.709 0.519 -5.623 85 1HB PRO 10 HB1 PRO 10 -18.859 0.321 -7.546 86 2HB PRO 10 HB2 PRO 10 -18.245 1.755 -6.724 87 1HG PRO 10 HG2 PRO 10 -17.652 0.749 -9.420 88 2HG PRO 10 HG1 PRO 10 -17.432 2.376 -8.753 89 1HD PRO 10 HD2 PRO 10 -15.346 0.760 -9.320 90 2HD PRO 10 HD1 PRO 10 -15.314 1.900 -7.959 91 H GLU 11 HN GLU 11 -17.068 -2.036 -8.023 92 HA GLU 11 HA GLU 11 -19.024 -3.504 -6.541 93 1HB GLU 11 HB2 GLU 11 -18.335 -3.557 -9.110 94 2HB GLU 11 HB1 GLU 11 -17.278 -4.846 -8.552 95 1HG GLU 11 HG1 GLU 11 -19.214 -6.031 -7.637 96 2HG GLU 11 HG2 GLU 11 -20.268 -4.743 -8.220 97 H LYS 12 HN LYS 12 -15.511 -3.774 -6.986 98 HA LYS 12 HA LYS 12 -15.300 -6.110 -5.329 99 1HB LYS 12 HB1 LYS 12 -13.272 -4.230 -6.530 100 2HB LYS 12 HB2 LYS 12 -12.811 -5.558 -5.474 101 1HG LYS 12 HG2 LYS 12 -14.562 -6.230 -7.757 102 2HG LYS 12 HG1 LYS 12 -12.902 -5.767 -8.132 103 1HD LYS 12 HD1 LYS 12 -13.631 -7.876 -6.108 104 2HD LYS 12 HD2 LYS 12 -13.271 -8.227 -7.800 105 1HE LYS 12 HE2 LYS 12 -11.351 -6.678 -6.095 106 2HE LYS 12 HE1 LYS 12 -11.377 -8.440 -6.065 107 1HZ LYS 12 HZ1 LYS 12 -11.344 -7.864 -8.711 108 2HZ LYS 12 HZ2 LYS 12 -9.995 -8.292 -7.786 109 3HZ LYS 12 HZ3 LYS 12 -10.345 -6.661 -8.067 110 H LEU 13 HN LEU 13 -15.007 -2.656 -4.895 111 HA LEU 13 HA LEU 13 -13.709 -2.670 -2.399 112 1HB LEU 13 HB1 LEU 13 -15.517 -0.657 -3.720 113 2HB LEU 13 HB2 LEU 13 -14.740 -0.364 -2.175 114 HG LEU 13 HG LEU 13 -13.121 -1.109 -4.591 115 1HD1 LEU 13 HD11 LEU 13 -14.590 0.857 -5.107 116 2HD1 LEU 13 HD12 LEU 13 -12.855 1.167 -5.194 117 3HD1 LEU 13 HD13 LEU 13 -13.780 1.714 -3.794 118 1HD2 LEU 13 HD21 LEU 13 -11.580 0.526 -3.198 119 2HD2 LEU 13 HD22 LEU 13 -11.707 -1.190 -2.813 120 3HD2 LEU 13 HD23 LEU 13 -12.627 -0.007 -1.883 121 H LYS 14 HN LYS 14 -17.047 -3.123 -3.306 122 HA LYS 14 HA LYS 14 -18.350 -2.576 -0.922 123 1HB LYS 14 HB2 LYS 14 -19.372 -3.258 -3.147 124 2HB LYS 14 HB1 LYS 14 -19.012 -4.920 -2.704 125 1HG LYS 14 HG2 LYS 14 -21.080 -4.903 -1.855 126 2HG LYS 14 HG1 LYS 14 -20.327 -4.072 -0.491 127 1HD LYS 14 HD2 LYS 14 -22.252 -2.813 -1.121 128 2HD LYS 14 HD1 LYS 14 -20.831 -1.906 -1.646 129 1HE LYS 14 HE1 LYS 14 -22.807 -2.128 -3.275 130 2HE LYS 14 HE2 LYS 14 -21.179 -2.416 -3.888 131 1HZ LYS 14 HZ1 LYS 14 -23.002 -4.070 -4.500 132 2HZ LYS 14 HZ2 LYS 14 -22.853 -4.645 -2.916 133 3HZ LYS 14 HZ3 LYS 14 -21.525 -4.696 -3.963 134 H GLU 15 HN GLU 15 -16.815 -5.608 -1.962 135 HA GLU 15 HA GLU 15 -17.271 -6.873 0.593 136 1HB GLU 15 HB1 GLU 15 -15.349 -7.879 -1.486 137 2HB GLU 15 HB2 GLU 15 -16.320 -8.799 -0.345 138 1HG GLU 15 HG2 GLU 15 -18.255 -7.578 -1.785 139 2HG GLU 15 HG1 GLU 15 -16.997 -7.768 -3.006 140 H LEU 16 HN LEU 16 -14.765 -5.064 -0.975 141 HA LEU 16 HA LEU 16 -12.790 -5.708 1.065 142 1HB LEU 16 HB2 LEU 16 -12.606 -3.830 -1.292 143 2HB LEU 16 HB1 LEU 16 -11.280 -4.288 -0.241 144 HG LEU 16 HG LEU 16 -12.791 -6.113 -2.106 145 1HD1 LEU 16 HD21 LEU 16 -11.372 -4.900 -3.468 146 2HD1 LEU 16 HD22 LEU 16 -10.384 -6.297 -3.044 147 3HD1 LEU 16 HD23 LEU 16 -10.132 -4.757 -2.224 148 1HD2 LEU 16 HD11 LEU 16 -10.861 -6.630 0.088 149 2HD2 LEU 16 HD12 LEU 16 -10.708 -7.583 -1.389 150 3HD2 LEU 16 HD13 LEU 16 -12.219 -7.601 -0.480 151 H SER 17 HN SER 17 -15.379 -4.016 1.377 152 HA SER 17 HA SER 17 -15.280 -1.426 1.726 153 1HB SER 17 HB2 SER 17 -16.110 -3.384 3.872 154 2HB SER 17 HB1 SER 17 -16.512 -1.668 3.893 155 HG SER 17 HG SER 17 -18.081 -3.241 2.931 156 H VAL 18 HN VAL 18 -13.197 -0.603 1.861 157 HA VAL 18 HA VAL 18 -11.460 -1.130 4.048 158 HB VAL 18 HB VAL 18 -10.080 0.653 3.203 159 1HG1 VAL 18 HG21 VAL 18 -11.029 -0.390 0.617 160 2HG1 VAL 18 HG22 VAL 18 -10.676 -1.608 1.843 161 3HG1 VAL 18 HG23 VAL 18 -9.428 -0.462 1.354 162 1HG2 VAL 18 HG11 VAL 18 -10.767 2.166 1.462 163 2HG2 VAL 18 HG12 VAL 18 -11.923 2.266 2.791 164 3HG2 VAL 18 HG13 VAL 18 -12.334 1.367 1.330 165 H GLU 19 HN GLU 19 -14.171 0.909 3.600 166 HA GLU 19 HA GLU 19 -13.750 3.068 5.244 167 1HB GLU 19 HB1 GLU 19 -16.244 2.820 5.777 168 2HB GLU 19 HB2 GLU 19 -15.801 2.956 4.080 169 1HG GLU 19 HG1 GLU 19 -16.818 1.043 3.642 170 2HG GLU 19 HG2 GLU 19 -15.775 0.202 4.793 171 H LYS 20 HN LYS 20 -14.378 -0.261 6.106 172 HA LYS 20 HA LYS 20 -14.757 0.264 8.905 173 1HB LYS 20 HB1 LYS 20 -13.978 -2.459 8.012 174 2HB LYS 20 HB2 LYS 20 -15.250 -1.960 9.115 175 1HG LYS 20 HG2 LYS 20 -16.533 -1.156 7.100 176 2HG LYS 20 HG1 LYS 20 -15.315 -1.962 6.112 177 1HD LYS 20 HD1 LYS 20 -16.161 -3.992 6.520 178 2HD LYS 20 HD2 LYS 20 -16.384 -3.651 8.237 179 1HE LYS 20 HE2 LYS 20 -18.343 -2.144 7.355 180 2HE LYS 20 HE1 LYS 20 -18.245 -3.207 5.952 181 1HZ LYS 20 HZ1 LYS 20 -18.243 -4.603 8.469 182 2HZ LYS 20 HZ2 LYS 20 -19.159 -4.887 7.075 183 3HZ LYS 20 HZ3 LYS 20 -19.659 -3.719 8.192 184 H TRP 21 HN TRP 21 -12.061 -0.255 6.822 185 HA TRP 21 HA TRP 21 -10.271 -1.097 8.924 186 1HB TRP 21 HB2 TRP 21 -9.391 -0.104 6.223 187 2HB TRP 21 HB1 TRP 21 -8.619 -1.299 7.259 188 HD1 TRP 21 HD1 TRP 21 -11.998 -2.507 7.266 189 HE1 TRP 21 HE1 TRP 21 -12.432 -4.218 5.403 190 HE3 TRP 21 HE3 TRP 21 -7.895 -1.596 4.347 191 HZ2 TRP 21 HZ2 TRP 21 -11.197 -5.088 3.021 192 HZ3 TRP 21 HZ3 TRP 21 -7.595 -2.917 2.293 193 HH2 TRP 21 HH2 TRP 21 -9.215 -4.627 1.645 194 HA PRO 22 HA PRO 22 -8.937 2.812 10.479 195 1HB PRO 22 HB2 PRO 22 -6.178 2.415 10.393 196 2HB PRO 22 HB1 PRO 22 -7.238 1.966 11.729 197 1HG PRO 22 HG2 PRO 22 -6.148 0.290 9.524 198 2HG PRO 22 HG1 PRO 22 -6.434 -0.134 11.218 199 1HD PRO 22 HD1 PRO 22 -8.080 -0.965 9.268 200 2HD PRO 22 HD2 PRO 22 -8.701 -0.505 10.868 201 H ILE 23 HN ILE 23 -7.158 4.545 9.943 202 HA ILE 23 HA ILE 23 -6.665 4.650 7.059 203 HB ILE 23 HB ILE 23 -7.883 6.957 8.576 204 1HG1 ILE 23 HG11 ILE 23 -9.769 6.400 6.799 205 2HG1 ILE 23 HG12 ILE 23 -9.079 4.783 6.908 206 1HG2 ILE 23 HG21 ILE 23 -8.210 7.778 6.171 207 2HG2 ILE 23 HG22 ILE 23 -7.011 6.561 5.736 208 3HG2 ILE 23 HG23 ILE 23 -6.586 7.856 6.856 209 1HD1 ILE 23 HD11 ILE 23 -10.707 6.276 8.831 210 2HD1 ILE 23 HD12 ILE 23 -9.347 5.393 9.524 211 3HD1 ILE 23 HD13 ILE 23 -10.557 4.539 8.568 212 H TRP 24 HN TRP 24 -4.926 5.933 6.429 213 HA TRP 24 HA TRP 24 -3.259 6.977 8.624 214 1HB TRP 24 HB1 TRP 24 -2.565 4.755 7.387 215 2HB TRP 24 HB2 TRP 24 -2.018 5.862 6.133 216 HD1 TRP 24 HD1 TRP 24 -1.667 6.579 9.897 217 HE1 TRP 24 HE1 TRP 24 0.839 6.740 10.460 218 HE3 TRP 24 HE3 TRP 24 0.271 5.200 5.373 219 HZ2 TRP 24 HZ2 TRP 24 3.311 6.335 9.158 220 HZ3 TRP 24 HZ3 TRP 24 2.716 5.111 5.114 221 HH2 TRP 24 HH2 TRP 24 4.203 5.667 6.968 222 H GLU 25 HN GLU 25 -2.551 9.011 8.384 223 HA GLU 25 HA GLU 25 -2.867 10.271 5.736 224 1HB GLU 25 HB2 GLU 25 -2.940 11.564 8.474 225 2HB GLU 25 HB1 GLU 25 -3.079 12.418 6.944 226 1HG GLU 25 HG1 GLU 25 -5.077 10.699 6.613 227 2HG GLU 25 HG2 GLU 25 -5.058 10.750 8.375 228 H LYS 26 HN LYS 26 -1.052 10.977 4.762 229 HA LYS 26 HA LYS 26 1.268 11.661 6.393 230 1HB LYS 26 HB2 LYS 26 1.499 9.264 5.955 231 2HB LYS 26 HB1 LYS 26 1.352 9.557 4.228 232 1HG LYS 26 HG2 LYS 26 3.661 9.220 4.800 233 2HG LYS 26 HG1 LYS 26 3.416 10.896 4.303 234 1HD LYS 26 HD2 LYS 26 2.993 11.000 7.016 235 2HD LYS 26 HD1 LYS 26 4.290 9.811 6.867 236 1HE LYS 26 HE2 LYS 26 5.749 11.327 5.905 237 2HE LYS 26 HE1 LYS 26 4.450 12.383 5.360 238 1HZ LYS 26 HZ1 LYS 26 5.634 13.370 7.203 239 2HZ LYS 26 HZ2 LYS 26 5.337 12.015 8.171 240 3HZ LYS 26 HZ3 LYS 26 4.054 13.000 7.677 241 H GLU 27 HN GLU 27 2.643 13.094 5.517 242 HA GLU 27 HA GLU 27 1.806 14.413 3.057 243 1HB GLU 27 HB1 GLU 27 3.743 16.010 3.778 244 2HB GLU 27 HB2 GLU 27 2.205 16.059 4.627 245 1HG GLU 27 HG2 GLU 27 4.340 14.282 5.675 246 2HG GLU 27 HG1 GLU 27 4.491 16.020 5.916 247 H VAL 28 HN VAL 28 3.482 15.075 1.496 248 HA VAL 28 HA VAL 28 4.748 12.896 0.331 249 HB VAL 28 HB VAL 28 5.448 15.814 -0.016 250 1HG1 VAL 28 HG11 VAL 28 6.666 15.299 -1.850 251 2HG1 VAL 28 HG12 VAL 28 5.660 13.912 -2.263 252 3HG1 VAL 28 HG13 VAL 28 6.881 13.768 -1.004 253 1HG2 VAL 28 HG21 VAL 28 3.360 14.085 -1.318 254 2HG2 VAL 28 HG22 VAL 28 3.864 15.652 -1.950 255 3HG2 VAL 28 HG23 VAL 28 3.108 15.543 -0.359 256 H SER 29 HN SER 29 5.812 12.212 2.524 257 HA SER 29 HA SER 29 8.477 13.382 2.856 258 1HB SER 29 HB1 SER 29 6.712 12.639 4.757 259 2HB SER 29 HB2 SER 29 7.601 11.127 4.576 260 HG SER 29 HG SER 29 8.750 13.671 5.094 261 H GLU 30 HN GLU 30 9.607 10.927 3.918 262 HA GLU 30 HA GLU 30 9.472 8.982 1.774 263 1HB GLU 30 HB1 GLU 30 12.096 10.287 2.539 264 2HB GLU 30 HB2 GLU 30 11.904 8.936 1.429 265 1HG GLU 30 HG1 GLU 30 12.071 10.642 -0.060 266 2HG GLU 30 HG2 GLU 30 10.324 10.626 0.175 267 H PHE 31 HN PHE 31 9.428 7.022 2.707 268 HA PHE 31 HA PHE 31 10.676 6.736 5.358 269 1HB PHE 31 HB1 PHE 31 8.010 5.651 4.441 270 2HB PHE 31 HB2 PHE 31 8.776 5.256 5.977 271 HD1 PHE 31 HD1 PHE 31 9.242 7.161 7.595 272 HD2 PHE 31 HD2 PHE 31 6.673 7.532 4.223 273 HE1 PHE 31 HE1 PHE 31 8.185 9.133 8.622 274 HE2 PHE 31 HE2 PHE 31 5.613 9.502 5.240 275 HZ PHE 31 HZ PHE 31 6.368 10.306 7.443 276 H ASP 32 HN ASP 32 11.478 4.725 5.940 277 HA ASP 32 HA ASP 32 12.131 2.946 3.712 278 1HB ASP 32 HB1 ASP 32 13.902 3.709 5.362 279 2HB ASP 32 HB2 ASP 32 13.070 2.748 6.582 280 H TRP 33 HN TRP 33 11.192 0.946 3.502 281 HA TRP 33 HA TRP 33 9.223 0.255 5.577 282 1HB TRP 33 HB2 TRP 33 8.619 0.853 3.057 283 2HB TRP 33 HB1 TRP 33 8.988 -0.854 2.822 284 HD1 TRP 33 HD1 TRP 33 7.158 0.633 5.884 285 HE1 TRP 33 HE1 TRP 33 4.819 -0.432 6.011 286 HE3 TRP 33 HE3 TRP 33 7.260 -2.076 1.548 287 HZ2 TRP 33 HZ2 TRP 33 3.226 -2.188 4.478 288 HZ3 TRP 33 HZ3 TRP 33 5.288 -3.422 0.952 289 HH2 TRP 33 HH2 TRP 33 3.315 -3.475 2.386 290 H TYR 34 HN TYR 34 9.285 -1.616 6.564 291 HA TYR 34 HA TYR 34 10.828 -3.826 5.410 292 1HB TYR 34 HB1 TYR 34 12.321 -2.903 7.051 293 2HB TYR 34 HB2 TYR 34 11.027 -2.782 8.241 294 HD1 TYR 34 HD1 TYR 34 13.161 -5.169 6.386 295 HD2 TYR 34 HD2 TYR 34 10.474 -4.612 9.637 296 HE1 TYR 34 HE1 TYR 34 13.751 -7.395 7.247 297 HE2 TYR 34 HE2 TYR 34 11.056 -6.837 10.507 298 HH TYR 34 HH TYR 34 12.632 -8.515 10.364 299 H TYR 35 HN TYR 35 9.388 -5.390 5.076 300 HA TYR 35 HA TYR 35 6.888 -5.461 6.440 301 1HB TYR 35 HB2 TYR 35 7.883 -6.456 4.050 302 2HB TYR 35 HB1 TYR 35 7.561 -7.900 5.004 303 HD1 TYR 35 HD1 TYR 35 5.752 -4.645 4.872 304 HD2 TYR 35 HD2 TYR 35 5.624 -8.835 4.148 305 HE1 TYR 35 HE1 TYR 35 3.361 -4.473 4.329 306 HE2 TYR 35 HE2 TYR 35 3.236 -8.671 3.603 307 HH TYR 35 HH TYR 35 1.651 -5.630 3.185 308 H ASP 36 HN ASP 36 6.010 -7.277 7.597 309 HA ASP 36 HA ASP 36 7.775 -9.238 8.740 310 1HB ASP 36 HB2 ASP 36 7.437 -8.544 11.082 311 2HB ASP 36 HB1 ASP 36 8.309 -7.319 10.164 312 H THR 37 HN THR 37 5.220 -9.010 7.234 313 HA THR 37 HA THR 37 3.834 -11.161 8.222 314 HB THR 37 HB THR 37 3.085 -10.175 10.181 315 HG1 THR 37 HG1 THR 37 1.298 -10.761 8.725 316 1HG2 THR 37 HG21 THR 37 3.400 -8.029 10.571 317 2HG2 THR 37 HG22 THR 37 1.985 -7.674 9.582 318 3HG2 THR 37 HG23 THR 37 3.588 -7.703 8.848 319 H ASN 38 HN ASN 38 2.204 -11.778 6.845 320 HA ASN 38 HA ASN 38 2.000 -10.551 4.329 321 1HB ASN 38 HB1 ASN 38 1.076 -12.923 5.524 322 2HB ASN 38 HB2 ASN 38 -0.372 -12.083 4.973 323 1HD2 ASN 38 HD22 ASN 38 2.859 -13.038 3.887 324 2HD2 ASN 38 HD21 ASN 38 2.403 -13.359 2.252 325 H GLU 39 HN GLU 39 1.479 -8.392 4.483 326 HA GLU 39 HA GLU 39 -1.139 -7.765 5.670 327 1HB GLU 39 HB1 GLU 39 0.147 -6.383 6.914 328 2HB GLU 39 HB2 GLU 39 1.480 -6.434 5.777 329 1HG GLU 39 HG2 GLU 39 0.397 -4.740 4.403 330 2HG GLU 39 HG1 GLU 39 -0.974 -4.708 5.512 331 H THR 40 HN THR 40 -2.314 -5.964 4.681 332 HA THR 40 HA THR 40 -1.809 -5.560 1.830 333 HB THR 40 HB THR 40 -4.327 -6.709 3.032 334 HG1 THR 40 HG1 THR 40 -2.682 -7.462 0.851 335 1HG2 THR 40 HG21 THR 40 -5.237 -6.537 0.659 336 2HG2 THR 40 HG22 THR 40 -4.047 -5.254 0.436 337 3HG2 THR 40 HG23 THR 40 -5.293 -5.096 1.675 338 H CYS 41 HN CYS 41 -2.221 -3.490 1.197 339 HA CYS 41 HA CYS 41 -3.843 -1.824 2.994 340 1HB CYS 41 HB2 CYS 41 -2.096 0.034 2.188 341 2HB CYS 41 HB1 CYS 41 -1.870 -0.915 3.655 342 HG CYS 41 HG CYS 41 -0.347 -1.471 0.994 343 H TYR 42 HN TYR 42 -4.847 -0.010 2.029 344 HA TYR 42 HA TYR 42 -5.049 -0.164 -0.906 345 1HB TYR 42 HB1 TYR 42 -7.053 -1.126 -0.177 346 2HB TYR 42 HB2 TYR 42 -7.169 -0.059 1.216 347 HD1 TYR 42 HD1 TYR 42 -8.407 1.930 1.121 348 HD2 TYR 42 HD2 TYR 42 -7.563 -0.183 -2.472 349 HE1 TYR 42 HE1 TYR 42 -9.979 3.378 -0.088 350 HE2 TYR 42 HE2 TYR 42 -9.134 1.260 -3.696 351 HH TYR 42 HH TYR 42 -10.912 2.729 -3.383 352 H ILE 43 HN ILE 43 -4.763 1.700 -1.968 353 HA ILE 43 HA ILE 43 -4.231 4.123 -0.498 354 HB ILE 43 HB ILE 43 -4.321 3.642 -3.476 355 1HG1 ILE 43 HG11 ILE 43 -2.580 2.413 -2.006 356 2HG1 ILE 43 HG12 ILE 43 -2.009 3.278 -3.429 357 1HG2 ILE 43 HG21 ILE 43 -4.616 5.944 -3.227 358 2HG2 ILE 43 HG22 ILE 43 -2.881 5.756 -3.483 359 3HG2 ILE 43 HG23 ILE 43 -3.507 6.031 -1.857 360 1HD1 ILE 43 HD11 ILE 43 -1.022 4.948 -2.180 361 2HD1 ILE 43 HD12 ILE 43 -0.724 3.506 -1.207 362 3HD1 ILE 43 HD13 ILE 43 -2.018 4.618 -0.761 363 H LEU 44 HN LEU 44 -5.467 5.917 -0.353 364 HA LEU 44 HA LEU 44 -8.097 5.869 -1.678 365 1HB LEU 44 HB2 LEU 44 -8.366 5.514 0.691 366 2HB LEU 44 HB1 LEU 44 -7.356 6.899 1.056 367 HG LEU 44 HG LEU 44 -9.039 8.409 0.156 368 1HD1 LEU 44 HD21 LEU 44 -11.259 7.505 -0.498 369 2HD1 LEU 44 HD22 LEU 44 -10.564 5.885 -0.458 370 3HD1 LEU 44 HD23 LEU 44 -9.959 7.077 -1.610 371 1HD2 LEU 44 HD11 LEU 44 -10.695 6.658 1.871 372 2HD2 LEU 44 HD12 LEU 44 -10.357 8.384 1.999 373 3HD2 LEU 44 HD13 LEU 44 -9.154 7.208 2.530 374 H GLU 45 HN GLU 45 -5.194 7.619 -1.159 375 HA GLU 45 HA GLU 45 -5.703 9.539 -3.094 376 1HB GLU 45 HB1 GLU 45 -7.356 10.527 -1.686 377 2HB GLU 45 HB2 GLU 45 -6.311 10.432 -0.277 378 1HG GLU 45 HG2 GLU 45 -5.079 12.260 -0.887 379 2HG GLU 45 HG1 GLU 45 -5.432 12.061 -2.603 380 H GLY 46 HN GLY 46 -3.611 9.329 -3.720 381 1HA GLY 46 HA2 GLY 46 -1.594 10.879 -2.811 382 2HA GLY 46 HA1 GLY 46 -1.454 9.452 -1.797 383 H LYS 47 HN LYS 47 0.686 9.965 -3.217 384 HA LYS 47 HA LYS 47 0.642 7.913 -5.316 385 1HB LYS 47 HB1 LYS 47 0.977 10.680 -5.778 386 2HB LYS 47 HB2 LYS 47 2.568 9.952 -5.960 387 1HG LYS 47 HG1 LYS 47 1.001 8.217 -7.360 388 2HG LYS 47 HG2 LYS 47 0.208 9.764 -7.664 389 1HD LYS 47 HD2 LYS 47 1.786 9.586 -9.380 390 2HD LYS 47 HD1 LYS 47 2.555 10.646 -8.197 391 1HE LYS 47 HE1 LYS 47 4.194 9.075 -8.906 392 2HE LYS 47 HE2 LYS 47 3.710 8.624 -7.272 393 1HZ LYS 47 HZ1 LYS 47 3.897 6.800 -9.038 394 2HZ LYS 47 HZ2 LYS 47 2.421 7.386 -9.618 395 3HZ LYS 47 HZ3 LYS 47 2.535 6.799 -8.036 396 H VAL 48 HN VAL 48 2.082 6.381 -4.869 397 HA VAL 48 HA VAL 48 4.573 7.139 -3.504 398 HB VAL 48 HB VAL 48 2.733 4.860 -2.782 399 1HG1 VAL 48 HG21 VAL 48 4.721 3.711 -2.623 400 2HG1 VAL 48 HG22 VAL 48 4.646 4.454 -1.024 401 3HG1 VAL 48 HG23 VAL 48 5.659 5.166 -2.280 402 1HG2 VAL 48 HG11 VAL 48 2.611 5.863 -0.658 403 2HG2 VAL 48 HG12 VAL 48 2.446 7.185 -1.813 404 3HG2 VAL 48 HG13 VAL 48 3.983 6.920 -0.990 405 H GLU 49 HN GLU 49 6.365 6.345 -4.374 406 HA GLU 49 HA GLU 49 6.114 4.261 -6.436 407 1HB GLU 49 HB1 GLU 49 8.415 6.192 -6.138 408 2HB GLU 49 HB2 GLU 49 8.036 5.171 -7.519 409 1HG GLU 49 HG1 GLU 49 6.181 6.504 -8.117 410 2HG GLU 49 HG2 GLU 49 6.224 7.376 -6.586 411 H VAL 50 HN VAL 50 6.669 2.337 -5.657 412 HA VAL 50 HA VAL 50 8.647 2.189 -3.502 413 HB VAL 50 HB VAL 50 6.693 0.117 -4.510 414 1HG1 VAL 50 HG11 VAL 50 8.897 -0.017 -2.523 415 2HG1 VAL 50 HG12 VAL 50 8.287 -1.252 -3.628 416 3HG1 VAL 50 HG13 VAL 50 7.395 -0.865 -2.154 417 1HG2 VAL 50 HG21 VAL 50 6.507 2.270 -2.567 418 2HG2 VAL 50 HG22 VAL 50 6.105 0.696 -1.880 419 3HG2 VAL 50 HG23 VAL 50 5.236 1.288 -3.296 420 H THR 51 HN THR 51 10.579 1.270 -3.716 421 HA THR 51 HA THR 51 11.120 -0.354 -6.105 422 HB THR 51 HB THR 51 13.049 1.644 -4.905 423 HG1 THR 51 HG1 THR 51 12.565 2.947 -6.571 424 1HG2 THR 51 HG21 THR 51 13.242 -0.104 -7.339 425 2HG2 THR 51 HG22 THR 51 14.278 -0.124 -5.911 426 3HG2 THR 51 HG23 THR 51 14.314 1.258 -7.006 427 H THR 52 HN THR 52 11.549 -2.351 -5.423 428 HA THR 52 HA THR 52 12.492 -2.807 -2.727 429 HB THR 52 HB THR 52 11.997 -5.099 -3.089 430 HG1 THR 52 HG1 THR 52 12.678 -5.830 -4.937 431 1HG2 THR 52 HG21 THR 52 10.062 -3.197 -3.575 432 2HG2 THR 52 HG22 THR 52 9.800 -4.908 -3.234 433 3HG2 THR 52 HG23 THR 52 9.882 -4.345 -4.903 434 H GLU 53 HN GLU 53 14.350 -4.006 -2.168 435 HA GLU 53 HA GLU 53 16.686 -3.292 -3.552 436 1HB GLU 53 HB2 GLU 53 17.873 -4.593 -1.946 437 2HB GLU 53 HB1 GLU 53 16.501 -3.884 -1.106 438 1HG GLU 53 HG2 GLU 53 16.477 -6.676 -2.215 439 2HG GLU 53 HG1 GLU 53 17.003 -6.288 -0.577 440 H ASP 54 HN ASP 54 14.683 -6.170 -3.657 441 HA ASP 54 HA ASP 54 16.402 -7.913 -4.986 442 1HB ASP 54 HB1 ASP 54 13.937 -8.195 -4.037 443 2HB ASP 54 HB2 ASP 54 13.508 -7.899 -5.721 444 H GLY 55 HN GLY 55 14.528 -5.218 -6.172 445 1HA GLY 55 HA2 GLY 55 15.498 -4.128 -8.168 446 2HA GLY 55 HA1 GLY 55 15.616 -5.733 -8.870 447 H LYS 56 HN LYS 56 12.820 -4.889 -7.004 448 HA LYS 56 HA LYS 56 11.230 -4.894 -9.476 449 1HB LYS 56 HB1 LYS 56 10.007 -5.218 -6.764 450 2HB LYS 56 HB2 LYS 56 9.478 -5.864 -8.312 451 1HG LYS 56 HG1 LYS 56 11.988 -6.811 -6.971 452 2HG LYS 56 HG2 LYS 56 10.407 -7.512 -6.621 453 1HD LYS 56 HD1 LYS 56 10.185 -8.407 -8.740 454 2HD LYS 56 HD2 LYS 56 11.315 -7.255 -9.455 455 1HE LYS 56 HE2 LYS 56 12.982 -8.698 -9.214 456 2HE LYS 56 HE1 LYS 56 12.687 -8.780 -7.477 457 1HZ LYS 56 HZ1 LYS 56 11.644 -10.528 -9.609 458 2HZ LYS 56 HZ2 LYS 56 10.827 -10.398 -8.134 459 3HZ LYS 56 HZ3 LYS 56 12.423 -10.954 -8.170 460 H LYS 57 HN LYS 57 8.998 -3.690 -8.977 461 HA LYS 57 HA LYS 57 9.324 -1.262 -7.469 462 1HB LYS 57 HB2 LYS 57 10.146 -1.256 -10.149 463 2HB LYS 57 HB1 LYS 57 8.571 -0.473 -10.145 464 1HG LYS 57 HG2 LYS 57 9.307 1.181 -8.604 465 2HG LYS 57 HG1 LYS 57 10.816 0.316 -8.309 466 1HD LYS 57 HD2 LYS 57 10.191 1.116 -11.101 467 2HD LYS 57 HD1 LYS 57 10.687 2.377 -9.970 468 1HE LYS 57 HE1 LYS 57 12.768 1.363 -9.582 469 2HE LYS 57 HE2 LYS 57 12.246 -0.169 -10.283 470 1HZ LYS 57 HZ1 LYS 57 11.977 1.788 -12.247 471 2HZ LYS 57 HZ2 LYS 57 13.071 0.498 -12.208 472 3HZ LYS 57 HZ3 LYS 57 13.506 1.996 -11.553 473 H TYR 58 HN TYR 58 7.405 -0.650 -6.682 474 HA TYR 58 HA TYR 58 4.987 -1.595 -8.075 475 1HB TYR 58 HB2 TYR 58 4.938 -1.124 -5.128 476 2HB TYR 58 HB1 TYR 58 3.984 -2.238 -6.098 477 HD1 TYR 58 HD1 TYR 58 5.594 -4.073 -7.342 478 HD2 TYR 58 HD2 TYR 58 6.374 -2.112 -3.649 479 HE1 TYR 58 HE1 TYR 58 7.072 -5.923 -6.680 480 HE2 TYR 58 HE2 TYR 58 7.854 -3.955 -2.975 481 HH TYR 58 HH TYR 58 8.154 -6.874 -4.909 482 H VAL 59 HN VAL 59 3.990 0.089 -8.955 483 HA VAL 59 HA VAL 59 4.051 2.670 -7.555 484 HB VAL 59 HB VAL 59 3.116 3.581 -9.707 485 1HG1 VAL 59 HG11 VAL 59 5.822 2.306 -9.544 486 2HG1 VAL 59 HG12 VAL 59 5.379 4.003 -9.361 487 3HG1 VAL 59 HG13 VAL 59 5.338 3.248 -10.955 488 1HG2 VAL 59 HG21 VAL 59 4.099 1.303 -11.256 489 2HG2 VAL 59 HG22 VAL 59 2.657 2.293 -11.483 490 3HG2 VAL 59 HG23 VAL 59 2.640 0.962 -10.325 491 H ILE 60 HN ILE 60 2.365 3.070 -6.294 492 HA ILE 60 HA ILE 60 -0.292 2.124 -7.153 493 HB ILE 60 HB ILE 60 -0.823 1.912 -4.687 494 1HG1 ILE 60 HG11 ILE 60 2.074 1.495 -4.167 495 2HG1 ILE 60 HG12 ILE 60 1.520 3.163 -4.257 496 1HG2 ILE 60 HG21 ILE 60 -0.655 -0.105 -5.814 497 2HG2 ILE 60 HG22 ILE 60 0.528 -0.286 -4.519 498 3HG2 ILE 60 HG23 ILE 60 1.063 0.112 -6.151 499 1HD1 ILE 60 HD11 ILE 60 0.972 1.087 -2.235 500 2HD1 ILE 60 HD12 ILE 60 -0.335 2.210 -2.611 501 3HD1 ILE 60 HD13 ILE 60 1.219 2.824 -2.048 502 H GLU 61 HN GLU 61 -1.603 3.787 -7.529 503 HA GLU 61 HA GLU 61 -1.512 6.084 -5.714 504 1HB GLU 61 HB2 GLU 61 -0.185 6.682 -7.694 505 2HB GLU 61 HB1 GLU 61 -1.554 6.299 -8.729 506 1HG GLU 61 HG1 GLU 61 -2.806 8.059 -7.304 507 2HG GLU 61 HG2 GLU 61 -1.186 8.593 -6.856 508 H LYS 62 HN LYS 62 -3.419 6.759 -5.070 509 HA LYS 62 HA LYS 62 -5.659 6.765 -4.709 510 1HB LYS 62 HB2 LYS 62 -5.039 7.832 -7.279 511 2HB LYS 62 HB1 LYS 62 -6.598 7.024 -7.380 512 1HG LYS 62 HG1 LYS 62 -5.790 9.299 -5.600 513 2HG LYS 62 HG2 LYS 62 -7.068 9.251 -6.817 514 1HD LYS 62 HD1 LYS 62 -7.670 7.186 -5.032 515 2HD LYS 62 HD2 LYS 62 -7.171 8.544 -4.022 516 1HE LYS 62 HE1 LYS 62 -8.851 9.932 -4.844 517 2HE LYS 62 HE2 LYS 62 -9.114 8.923 -6.266 518 1HZ LYS 62 HZ1 LYS 62 -9.939 7.178 -4.702 519 2HZ LYS 62 HZ2 LYS 62 -10.916 8.555 -4.802 520 3HZ LYS 62 HZ3 LYS 62 -9.898 8.334 -3.469 521 H GLY 63 HN GLY 63 -6.684 5.032 -4.047 522 1HA GLY 63 HA2 GLY 63 -7.837 3.053 -4.053 523 2HA GLY 63 HA1 GLY 63 -8.381 3.553 -5.645 524 H ASP 64 HN ASP 64 -5.455 2.205 -4.126 525 HA ASP 64 HA ASP 64 -5.492 0.033 -6.062 526 1HB ASP 64 HB2 ASP 64 -4.098 1.872 -7.061 527 2HB ASP 64 HB1 ASP 64 -3.006 1.714 -5.689 528 H LEU 65 HN LEU 65 -5.139 -1.806 -5.034 529 HA LEU 65 HA LEU 65 -3.690 -1.700 -2.477 530 1HB LEU 65 HB1 LEU 65 -4.935 -4.100 -2.411 531 2HB LEU 65 HB2 LEU 65 -5.570 -2.634 -1.702 532 HG LEU 65 HG LEU 65 -6.852 -2.263 -3.829 533 1HD1 LEU 65 HD11 LEU 65 -6.103 -5.119 -4.420 534 2HD1 LEU 65 HD12 LEU 65 -5.365 -3.726 -5.214 535 3HD1 LEU 65 HD13 LEU 65 -7.091 -4.038 -5.404 536 1HD2 LEU 65 HD21 LEU 65 -7.267 -4.368 -1.828 537 2HD2 LEU 65 HD22 LEU 65 -8.234 -4.538 -3.291 538 3HD2 LEU 65 HD23 LEU 65 -8.332 -3.059 -2.335 539 H VAL 66 HN VAL 66 -2.046 -3.103 -2.070 540 HA VAL 66 HA VAL 66 -1.263 -4.961 -4.206 541 HB VAL 66 HB VAL 66 0.587 -3.038 -2.788 542 1HG1 VAL 66 HG21 VAL 66 1.127 -5.265 -4.737 543 2HG1 VAL 66 HG22 VAL 66 1.785 -5.053 -3.114 544 3HG1 VAL 66 HG23 VAL 66 2.275 -3.965 -4.413 545 1HG2 VAL 66 HG11 VAL 66 -0.319 -3.190 -5.659 546 2HG2 VAL 66 HG12 VAL 66 0.952 -2.129 -5.055 547 3HG2 VAL 66 HG13 VAL 66 -0.706 -1.924 -4.491 548 H THR 67 HN THR 67 0.001 -6.738 -3.552 549 HA THR 67 HA THR 67 -0.218 -7.356 -0.683 550 HB THR 67 HB THR 67 0.089 -9.170 -3.086 551 HG1 THR 67 HG1 THR 67 -2.038 -9.029 -1.228 552 1HG2 THR 67 HG21 THR 67 -0.018 -9.861 -0.169 553 2HG2 THR 67 HG22 THR 67 1.242 -10.264 -1.335 554 3HG2 THR 67 HG23 THR 67 -0.351 -11.011 -1.463 555 H PHE 68 HN PHE 68 1.557 -8.334 0.398 556 HA PHE 68 HA PHE 68 4.128 -8.290 -0.976 557 1HB PHE 68 HB2 PHE 68 3.644 -6.773 1.592 558 2HB PHE 68 HB1 PHE 68 5.192 -6.951 0.776 559 HD1 PHE 68 HD1 PHE 68 1.795 -5.525 0.430 560 HD2 PHE 68 HD2 PHE 68 5.826 -5.489 -0.935 561 HE1 PHE 68 HE1 PHE 68 1.329 -3.496 -0.880 562 HE2 PHE 68 HE2 PHE 68 5.366 -3.460 -2.247 563 HZ PHE 68 HZ PHE 68 3.117 -2.460 -2.221 564 HA PRO 69 HA PRO 69 4.673 -11.784 1.685 565 1HB PRO 69 HB1 PRO 69 7.153 -12.467 0.951 566 2HB PRO 69 HB2 PRO 69 5.801 -12.570 -0.175 567 1HG PRO 69 HG1 PRO 69 7.991 -10.574 -0.029 568 2HG PRO 69 HG2 PRO 69 7.109 -11.179 -1.440 569 1HD PRO 69 HD2 PRO 69 6.650 -8.753 -0.067 570 2HD PRO 69 HD1 PRO 69 5.633 -9.473 -1.328 571 H LYS 70 HN LYS 70 5.398 -12.239 3.703 572 HA LYS 70 HA LYS 70 6.490 -10.360 5.392 573 1HB LYS 70 HB1 LYS 70 5.427 -12.436 6.166 574 2HB LYS 70 HB2 LYS 70 6.799 -13.363 5.575 575 1HG LYS 70 HG1 LYS 70 8.251 -12.121 7.160 576 2HG LYS 70 HG2 LYS 70 6.803 -11.349 7.812 577 1HD LYS 70 HD2 LYS 70 6.987 -14.332 7.652 578 2HD LYS 70 HD1 LYS 70 7.751 -13.460 8.982 579 1HE LYS 70 HE2 LYS 70 5.732 -13.747 9.950 580 2HE LYS 70 HE1 LYS 70 5.332 -12.303 9.020 581 1HZ LYS 70 HZ1 LYS 70 4.242 -13.563 7.404 582 2HZ LYS 70 HZ2 LYS 70 3.750 -14.260 8.865 583 3HZ LYS 70 HZ3 LYS 70 4.931 -15.019 7.921 584 H GLY 71 HN GLY 71 8.445 -9.488 5.640 585 1HA GLY 71 HA2 GLY 71 10.850 -9.770 5.859 586 2HA GLY 71 HA1 GLY 71 10.772 -10.936 4.546 587 H LEU 72 HN LEU 72 8.871 -9.204 3.047 588 HA LEU 72 HA LEU 72 10.467 -7.986 1.233 589 1HB LEU 72 HB2 LEU 72 7.895 -8.221 1.332 590 2HB LEU 72 HB1 LEU 72 7.919 -6.656 2.117 591 HG LEU 72 HG LEU 72 7.498 -6.089 -0.075 592 1HD1 LEU 72 HD11 LEU 72 9.544 -4.943 0.818 593 2HD1 LEU 72 HD12 LEU 72 9.388 -4.963 -0.938 594 3HD1 LEU 72 HD13 LEU 72 10.501 -6.073 -0.141 595 1HD2 LEU 72 HD21 LEU 72 9.411 -7.392 -1.687 596 2HD2 LEU 72 HD22 LEU 72 7.662 -7.626 -1.664 597 3HD2 LEU 72 HD23 LEU 72 8.698 -8.617 -0.637 598 H ARG 73 HN ARG 73 11.862 -6.353 1.198 599 HA ARG 73 HA ARG 73 11.512 -4.150 3.114 600 1HB ARG 73 HB1 ARG 73 13.386 -5.819 3.688 601 2HB ARG 73 HB2 ARG 73 14.228 -5.162 2.292 602 1HG ARG 73 HG1 ARG 73 13.557 -2.889 3.615 603 2HG ARG 73 HG2 ARG 73 13.809 -4.015 4.952 604 1HD ARG 73 HD2 ARG 73 16.028 -4.185 4.567 605 2HD ARG 73 HD1 ARG 73 15.838 -4.090 2.817 606 HE ARG 73 HE ARG 73 15.257 -1.578 3.880 607 1HH1 ARG 73 HH21 ARG 73 17.969 -3.737 3.556 608 2HH1 ARG 73 HH22 ARG 73 19.143 -2.466 3.518 609 1HH2 ARG 73 HH12 ARG 73 16.795 0.106 3.831 610 2HH2 ARG 73 HH11 ARG 73 18.476 -0.280 3.674 611 H CYS 74 HN CYS 74 11.079 -2.383 1.977 612 HA CYS 74 HA CYS 74 12.785 -1.666 -0.270 613 1HB CYS 74 HB2 CYS 74 10.764 -1.075 -1.655 614 2HB CYS 74 HB1 CYS 74 11.038 -2.800 -1.439 615 HG CYS 74 HG CYS 74 8.574 -2.561 -0.989 616 H ARG 75 HN ARG 75 12.521 0.585 -0.933 617 HA ARG 75 HA ARG 75 11.930 2.263 1.377 618 1HB ARG 75 HB1 ARG 75 14.070 2.619 0.326 619 2HB ARG 75 HB2 ARG 75 13.317 2.821 -1.249 620 1HG ARG 75 HG2 ARG 75 13.894 4.979 -0.510 621 2HG ARG 75 HG1 ARG 75 12.146 4.841 -0.300 622 1HD ARG 75 HD2 ARG 75 12.695 5.734 1.723 623 2HD ARG 75 HD1 ARG 75 12.858 4.020 2.107 624 HE ARG 75 HE ARG 75 15.338 4.843 1.224 625 1HH1 ARG 75 HH12 ARG 75 13.154 5.666 3.808 626 2HH1 ARG 75 HH11 ARG 75 14.414 6.135 4.900 627 1HH2 ARG 75 HH22 ARG 75 17.006 5.458 2.652 628 2HH2 ARG 75 HH21 ARG 75 16.606 6.017 4.242 629 H TRP 76 HN TRP 76 10.208 3.529 1.548 630 HA TRP 76 HA TRP 76 8.428 3.782 -0.774 631 1HB TRP 76 HB2 TRP 76 7.989 3.851 2.190 632 2HB TRP 76 HB1 TRP 76 6.833 4.638 1.121 633 HD1 TRP 76 HD1 TRP 76 8.577 1.237 0.512 634 HE1 TRP 76 HE1 TRP 76 6.751 -0.558 0.256 635 HE3 TRP 76 HE3 TRP 76 4.465 4.111 1.508 636 HZ2 TRP 76 HZ2 TRP 76 3.940 -0.734 0.450 637 HZ3 TRP 76 HZ3 TRP 76 2.245 3.051 1.452 638 HH2 TRP 76 HH2 TRP 76 1.990 0.678 0.934 639 H LYS 77 HN LYS 77 7.689 5.771 -1.466 640 HA LYS 77 HA LYS 77 8.580 8.185 -0.109 641 1HB LYS 77 HB1 LYS 77 9.205 8.592 -2.864 642 2HB LYS 77 HB2 LYS 77 10.275 8.689 -1.475 643 1HG LYS 77 HG2 LYS 77 11.104 6.575 -1.787 644 2HG LYS 77 HG1 LYS 77 9.659 6.013 -2.630 645 1HD LYS 77 HD2 LYS 77 10.329 7.648 -4.482 646 2HD LYS 77 HD1 LYS 77 11.898 7.722 -3.675 647 1HE LYS 77 HE1 LYS 77 10.972 4.995 -4.034 648 2HE LYS 77 HE2 LYS 77 11.103 5.862 -5.565 649 1HZ LYS 77 HZ1 LYS 77 13.153 4.717 -4.101 650 2HZ LYS 77 HZ2 LYS 77 13.365 6.389 -3.954 651 3HZ LYS 77 HZ3 LYS 77 13.294 5.677 -5.487 652 H VAL 78 HN VAL 78 6.804 9.319 0.045 653 HA VAL 78 HA VAL 78 4.659 9.043 -1.863 654 HB VAL 78 HB VAL 78 4.806 10.939 0.475 655 1HG1 VAL 78 HG11 VAL 78 2.969 10.800 -1.528 656 2HG1 VAL 78 HG12 VAL 78 2.649 11.411 0.095 657 3HG1 VAL 78 HG13 VAL 78 2.254 9.741 -0.313 658 1HG2 VAL 78 HG21 VAL 78 3.255 8.536 0.912 659 2HG2 VAL 78 HG22 VAL 78 4.510 9.265 1.915 660 3HG2 VAL 78 HG23 VAL 78 4.953 8.170 0.606 661 H LEU 79 HN LEU 79 4.005 10.517 -3.366 662 HA LEU 79 HA LEU 79 5.822 12.772 -3.855 663 1HB LEU 79 HB2 LEU 79 3.803 11.414 -5.642 664 2HB LEU 79 HB1 LEU 79 4.719 12.834 -6.103 665 HG LEU 79 HG LEU 79 6.804 11.574 -5.941 666 1HD1 LEU 79 HD21 LEU 79 6.402 10.018 -4.216 667 2HD1 LEU 79 HD22 LEU 79 6.611 9.063 -5.684 668 3HD1 LEU 79 HD23 LEU 79 4.993 9.350 -5.043 669 1HD2 LEU 79 HD11 LEU 79 4.602 10.824 -7.727 670 2HD2 LEU 79 HD12 LEU 79 5.930 9.665 -7.655 671 3HD2 LEU 79 HD13 LEU 79 6.245 11.342 -8.102 672 H GLU 80 HN GLU 80 2.533 11.936 -3.144 673 HA GLU 80 HA GLU 80 1.928 14.752 -2.648 674 1HB GLU 80 HB2 GLU 80 0.168 12.887 -4.255 675 2HB GLU 80 HB1 GLU 80 -0.329 14.468 -3.666 676 1HG GLU 80 HG1 GLU 80 0.392 15.297 -5.587 677 2HG GLU 80 HG2 GLU 80 2.031 14.961 -5.030 678 HA PRO 81 HA PRO 81 0.191 13.683 1.273 679 1HB PRO 81 HB2 PRO 81 -2.391 14.529 -0.015 680 2HB PRO 81 HB1 PRO 81 -1.802 14.856 1.621 681 1HG PRO 81 HG2 PRO 81 -1.546 16.702 -0.273 682 2HG PRO 81 HG1 PRO 81 -0.233 16.419 0.879 683 1HD PRO 81 HD1 PRO 81 -0.405 15.718 -1.997 684 2HD PRO 81 HD2 PRO 81 1.025 16.029 -0.993 685 H VAL 82 HN VAL 82 -0.017 11.625 1.827 686 HA VAL 82 HA VAL 82 -1.559 9.857 0.099 687 HB VAL 82 HB VAL 82 0.993 9.655 1.225 688 1HG1 VAL 82 HG21 VAL 82 1.084 7.726 2.572 689 2HG1 VAL 82 HG22 VAL 82 -0.623 7.367 2.315 690 3HG1 VAL 82 HG23 VAL 82 -0.152 8.755 3.295 691 1HG2 VAL 82 HG11 VAL 82 1.136 7.628 -0.054 692 2HG2 VAL 82 HG12 VAL 82 0.173 8.807 -0.943 693 3HG2 VAL 82 HG13 VAL 82 -0.620 7.482 -0.092 694 H ARG 83 HN ARG 83 -3.257 8.733 0.701 695 HA ARG 83 HA ARG 83 -3.946 8.497 3.528 696 1HB ARG 83 HB2 ARG 83 -5.595 9.784 1.401 697 2HB ARG 83 HB1 ARG 83 -6.417 8.816 2.617 698 1HG ARG 83 HG1 ARG 83 -4.540 10.603 3.860 699 2HG ARG 83 HG2 ARG 83 -5.644 11.490 2.806 700 1HD ARG 83 HD1 ARG 83 -6.526 9.498 4.887 701 2HD ARG 83 HD2 ARG 83 -6.434 11.236 5.162 702 HE ARG 83 HE ARG 83 -8.452 9.821 3.685 703 1HH1 ARG 83 HH12 ARG 83 -6.840 12.875 4.128 704 2HH1 ARG 83 HH11 ARG 83 -8.157 13.809 3.501 705 1HH2 ARG 83 HH21 ARG 83 -10.194 11.040 2.859 706 2HH2 ARG 83 HH22 ARG 83 -10.065 12.766 2.779 707 H LYS 84 HN LYS 84 -3.899 6.328 3.820 708 HA LYS 84 HA LYS 84 -5.270 4.688 1.805 709 1HB LYS 84 HB2 LYS 84 -3.490 3.258 1.487 710 2HB LYS 84 HB1 LYS 84 -2.660 4.792 1.683 711 1HG LYS 84 HG1 LYS 84 -2.584 4.041 4.206 712 2HG LYS 84 HG2 LYS 84 -2.761 2.437 3.488 713 1HD LYS 84 HD1 LYS 84 -0.766 4.150 2.181 714 2HD LYS 84 HD2 LYS 84 -0.388 3.725 3.853 715 1HE LYS 84 HE2 LYS 84 0.577 1.995 2.649 716 2HE LYS 84 HE1 LYS 84 -0.977 1.319 3.135 717 1HZ LYS 84 HZ1 LYS 84 -1.859 1.782 0.969 718 2HZ LYS 84 HZ2 LYS 84 -0.428 0.899 0.790 719 3HZ LYS 84 HZ3 LYS 84 -0.437 2.565 0.495 720 H HIS 85 HN HIS 85 -5.935 2.601 2.479 721 HA HIS 85 HA HIS 85 -6.590 2.488 5.333 722 1HB HIS 85 HB1 HIS 85 -7.814 1.115 2.935 723 2HB HIS 85 HB2 HIS 85 -8.282 0.779 4.599 724 HD1 HIS 85 HD1 HIS 85 -10.428 1.907 5.051 725 HD2 HIS 85 HD2 HIS 85 -7.908 4.251 2.729 726 HE1 HIS 85 HE1 HIS 85 -11.659 4.073 4.707 727 HE2 HIS 85 HE2 HIS 85 -10.114 5.480 3.299 728 H TYR 86 HN TYR 86 -6.593 0.264 6.314 729 HA TYR 86 HA TYR 86 -4.225 -1.194 5.339 730 1HB TYR 86 HB2 TYR 86 -5.177 -0.585 8.123 731 2HB TYR 86 HB1 TYR 86 -3.962 -1.812 7.801 732 HD1 TYR 86 HD1 TYR 86 -4.514 1.564 8.562 733 HD2 TYR 86 HD2 TYR 86 -1.907 -0.993 6.385 734 HE1 TYR 86 HE1 TYR 86 -2.785 3.300 8.618 735 HE2 TYR 86 HE2 TYR 86 -0.163 0.734 6.431 736 HH TYR 86 HH TYR 86 -0.218 3.354 8.463 737 H ASN 87 HN ASN 87 -4.033 -3.422 5.958 738 HA ASN 87 HA ASN 87 -6.284 -4.939 6.840 739 1HB ASN 87 HB1 ASN 87 -7.015 -4.533 4.534 740 2HB ASN 87 HB2 ASN 87 -5.480 -5.147 3.925 741 1HD2 ASN 87 HD22 ASN 87 -8.445 -5.978 3.827 742 2HD2 ASN 87 HD21 ASN 87 -8.387 -7.674 4.143 743 H LEU 88 HN LEU 88 -4.397 -5.314 8.268 744 HA LEU 88 HA LEU 88 -2.366 -7.100 7.139 745 1HB LEU 88 HB1 LEU 88 -2.403 -5.959 9.926 746 2HB LEU 88 HB2 LEU 88 -1.045 -6.661 9.069 747 HG LEU 88 HG LEU 88 -1.216 -4.705 7.454 748 1HD1 LEU 88 HD11 LEU 88 -2.265 -2.682 8.755 749 2HD1 LEU 88 HD12 LEU 88 -3.272 -3.947 9.458 750 3HD1 LEU 88 HD13 LEU 88 -3.248 -3.709 7.710 751 1HD2 LEU 88 HD21 LEU 88 0.359 -5.008 9.485 752 2HD2 LEU 88 HD22 LEU 88 -0.641 -3.760 10.230 753 3HD2 LEU 88 HD23 LEU 88 0.222 -3.420 8.730 754 H PHE 89 HN PHE 89 -1.924 -9.137 8.031 755 HA PHE 89 HA PHE 89 -4.225 -10.337 9.389 756 1HB PHE 89 HB2 PHE 89 -1.863 -11.662 8.035 757 2HB PHE 89 HB1 PHE 89 -3.269 -12.491 8.692 758 HD1 PHE 89 HD1 PHE 89 -5.112 -10.096 7.615 759 HD2 PHE 89 HD2 PHE 89 -2.294 -12.775 5.885 760 HE1 PHE 89 HE1 PHE 89 -6.253 -9.891 5.446 761 HE2 PHE 89 HE2 PHE 89 -3.430 -12.574 3.713 762 HZ PHE 89 HZ PHE 89 -5.413 -11.130 3.491 Start of MODEL 2 1 1H MET 1 HT1 MET 1 8.853 -10.493 -6.303 2 2H MET 1 HT2 MET 1 7.918 -9.113 -5.892 3 3H MET 1 HT3 MET 1 7.154 -10.508 -6.537 4 HA MET 1 HA MET 1 8.112 -11.704 -4.552 5 1HB MET 1 HB2 MET 1 8.529 -8.802 -3.927 6 2HB MET 1 HB1 MET 1 8.149 -9.916 -2.622 7 1HG MET 1 HG1 MET 1 10.378 -10.508 -4.521 8 2HG MET 1 HG2 MET 1 10.614 -9.402 -3.169 9 1HE MET 1 HE1 MET 1 12.140 -13.147 -2.680 10 2HE MET 1 HE2 MET 1 12.684 -11.520 -2.274 11 3HE MET 1 HE3 MET 1 12.157 -11.889 -3.916 12 H GLU 2 HN GLU 2 5.815 -11.880 -5.692 13 HA GLU 2 HA GLU 2 3.543 -11.907 -5.499 14 1HB GLU 2 HB2 GLU 2 4.542 -13.048 -3.324 15 2HB GLU 2 HB1 GLU 2 3.786 -11.671 -2.534 16 1HG GLU 2 HG2 GLU 2 1.794 -12.623 -2.654 17 2HG GLU 2 HG1 GLU 2 1.956 -12.853 -4.395 18 H VAL 3 HN VAL 3 4.367 -9.416 -6.102 19 HA VAL 3 HA VAL 3 2.666 -7.684 -4.430 20 HB VAL 3 HB VAL 3 4.827 -6.567 -6.169 21 1HG1 VAL 3 HG21 VAL 3 4.811 -4.908 -4.194 22 2HG1 VAL 3 HG22 VAL 3 3.283 -5.674 -3.772 23 3HG1 VAL 3 HG23 VAL 3 3.466 -4.880 -5.336 24 1HG2 VAL 3 HG11 VAL 3 6.202 -6.541 -3.972 25 2HG2 VAL 3 HG12 VAL 3 6.187 -8.003 -4.956 26 3HG2 VAL 3 HG13 VAL 3 5.177 -7.901 -3.514 27 H LYS 4 HN LYS 4 0.803 -7.272 -5.440 28 HA LYS 4 HA LYS 4 0.855 -6.982 -8.371 29 1HB LYS 4 HB1 LYS 4 -1.297 -7.951 -8.502 30 2HB LYS 4 HB2 LYS 4 -0.398 -8.964 -7.384 31 1HG LYS 4 HG2 LYS 4 -1.743 -6.898 -5.926 32 2HG LYS 4 HG1 LYS 4 -2.886 -7.731 -6.981 33 1HD LYS 4 HD1 LYS 4 -1.901 -9.895 -6.060 34 2HD LYS 4 HD2 LYS 4 -1.148 -8.887 -4.821 35 1HE LYS 4 HE2 LYS 4 -3.272 -9.831 -4.049 36 2HE LYS 4 HE1 LYS 4 -3.329 -8.070 -4.127 37 1HZ LYS 4 HZ1 LYS 4 -4.233 -9.564 -6.472 38 2HZ LYS 4 HZ2 LYS 4 -4.797 -8.100 -5.840 39 3HZ LYS 4 HZ3 LYS 4 -5.239 -9.562 -5.113 40 H ILE 5 HN ILE 5 -0.541 -5.448 -9.340 41 HA ILE 5 HA ILE 5 -1.426 -3.300 -7.524 42 HB ILE 5 HB ILE 5 -0.742 -2.773 -10.388 43 1HG1 ILE 5 HG11 ILE 5 1.284 -3.764 -9.598 44 2HG1 ILE 5 HG12 ILE 5 1.514 -2.021 -9.561 45 1HG2 ILE 5 HG21 ILE 5 -0.123 -0.759 -8.393 46 2HG2 ILE 5 HG22 ILE 5 -1.816 -1.251 -8.356 47 3HG2 ILE 5 HG23 ILE 5 -1.108 -0.643 -9.852 48 1HD1 ILE 5 HD11 ILE 5 0.556 -3.293 -7.075 49 2HD1 ILE 5 HD12 ILE 5 1.664 -1.943 -7.311 50 3HD1 ILE 5 HD13 ILE 5 2.223 -3.597 -7.558 51 H GLU 6 HN GLU 6 -3.559 -3.116 -7.459 52 HA GLU 6 HA GLU 6 -5.109 -3.317 -9.904 53 1HB GLU 6 HB2 GLU 6 -4.972 -5.473 -7.968 54 2HB GLU 6 HB1 GLU 6 -6.618 -4.881 -8.153 55 1HG GLU 6 HG1 GLU 6 -5.859 -5.057 -10.739 56 2HG GLU 6 HG2 GLU 6 -4.917 -6.367 -10.028 57 H LYS 7 HN LYS 7 -7.213 -2.470 -9.752 58 HA LYS 7 HA LYS 7 -7.622 -0.756 -7.398 59 1HB LYS 7 HB2 LYS 7 -8.629 -0.430 -10.228 60 2HB LYS 7 HB1 LYS 7 -9.020 0.645 -8.892 61 1HG LYS 7 HG1 LYS 7 -7.172 1.809 -9.233 62 2HG LYS 7 HG2 LYS 7 -6.183 0.354 -9.074 63 1HD LYS 7 HD1 LYS 7 -7.650 0.898 -11.622 64 2HD LYS 7 HD2 LYS 7 -6.121 1.717 -11.289 65 1HE LYS 7 HE1 LYS 7 -5.011 -0.428 -11.006 66 2HE LYS 7 HE2 LYS 7 -6.538 -1.270 -11.271 67 1HZ LYS 7 HZ1 LYS 7 -5.477 0.571 -13.314 68 2HZ LYS 7 HZ2 LYS 7 -6.549 -0.725 -13.501 69 3HZ LYS 7 HZ3 LYS 7 -4.906 -1.018 -13.219 70 HA PRO 8 HA PRO 8 -10.794 -3.954 -6.699 71 1HB PRO 8 HB1 PRO 8 -11.666 -2.613 -4.378 72 2HB PRO 8 HB2 PRO 8 -10.565 -3.990 -4.455 73 1HG PRO 8 HG2 PRO 8 -9.965 -1.094 -4.177 74 2HG PRO 8 HG1 PRO 8 -9.074 -2.493 -3.550 75 1HD PRO 8 HD2 PRO 8 -8.182 -1.076 -5.637 76 2HD PRO 8 HD1 PRO 8 -7.957 -2.833 -5.543 77 H THR 9 HN THR 9 -12.711 -3.948 -7.617 78 HA THR 9 HA THR 9 -14.041 -1.443 -8.229 79 HB THR 9 HB THR 9 -14.113 -2.861 -10.075 80 HG1 THR 9 HG1 THR 9 -16.198 -2.994 -10.386 81 1HG2 THR 9 HG21 THR 9 -14.627 -5.097 -8.158 82 2HG2 THR 9 HG22 THR 9 -13.341 -4.928 -9.354 83 3HG2 THR 9 HG23 THR 9 -14.996 -5.245 -9.877 84 HA PRO 10 HA PRO 10 -17.171 -1.085 -5.165 85 1HB PRO 10 HB1 PRO 10 -19.389 -1.574 -6.921 86 2HB PRO 10 HB2 PRO 10 -18.818 -0.029 -6.291 87 1HG PRO 10 HG2 PRO 10 -18.294 -1.307 -8.903 88 2HG PRO 10 HG1 PRO 10 -18.257 0.408 -8.461 89 1HD PRO 10 HD2 PRO 10 -16.004 -0.960 -8.955 90 2HD PRO 10 HD1 PRO 10 -16.070 0.294 -7.698 91 H GLU 11 HN GLU 11 -17.316 -3.781 -7.420 92 HA GLU 11 HA GLU 11 -19.074 -5.382 -5.836 93 1HB GLU 11 HB1 GLU 11 -17.146 -6.180 -8.028 94 2HB GLU 11 HB2 GLU 11 -18.402 -7.211 -7.353 95 1HG GLU 11 HG1 GLU 11 -20.095 -5.586 -8.138 96 2HG GLU 11 HG2 GLU 11 -18.802 -4.666 -8.906 97 H LYS 12 HN LYS 12 -15.558 -5.367 -6.371 98 HA LYS 12 HA LYS 12 -15.074 -7.438 -4.454 99 1HB LYS 12 HB1 LYS 12 -13.493 -5.797 -6.295 100 2HB LYS 12 HB2 LYS 12 -12.671 -6.122 -4.774 101 1HG LYS 12 HG1 LYS 12 -12.115 -8.130 -5.508 102 2HG LYS 12 HG2 LYS 12 -13.822 -8.553 -5.654 103 1HD LYS 12 HD1 LYS 12 -13.195 -8.857 -7.822 104 2HD LYS 12 HD2 LYS 12 -13.585 -7.136 -7.889 105 1HE LYS 12 HE1 LYS 12 -11.510 -6.694 -8.534 106 2HE LYS 12 HE2 LYS 12 -10.902 -7.369 -7.023 107 1HZ LYS 12 HZ1 LYS 12 -10.240 -9.231 -8.037 108 2HZ LYS 12 HZ2 LYS 12 -10.361 -8.343 -9.473 109 3HZ LYS 12 HZ3 LYS 12 -11.634 -9.348 -8.988 110 H LEU 13 HN LEU 13 -15.266 -3.971 -4.412 111 HA LEU 13 HA LEU 13 -13.918 -3.463 -1.997 112 1HB LEU 13 HB2 LEU 13 -16.160 -1.989 -3.376 113 2HB LEU 13 HB1 LEU 13 -15.338 -1.380 -1.952 114 HG LEU 13 HG LEU 13 -13.826 -2.070 -4.458 115 1HD1 LEU 13 HD11 LEU 13 -14.744 -0.364 -5.537 116 2HD1 LEU 13 HD12 LEU 13 -14.134 0.720 -4.286 117 3HD1 LEU 13 HD13 LEU 13 -15.749 0.025 -4.141 118 1HD2 LEU 13 HD21 LEU 13 -12.808 -1.628 -2.094 119 2HD2 LEU 13 HD22 LEU 13 -13.123 0.061 -2.494 120 3HD2 LEU 13 HD23 LEU 13 -12.075 -0.908 -3.527 121 H LYS 14 HN LYS 14 -17.136 -4.623 -2.686 122 HA LYS 14 HA LYS 14 -18.421 -4.047 -0.282 123 1HB LYS 14 HB2 LYS 14 -18.765 -6.073 -2.425 124 2HB LYS 14 HB1 LYS 14 -19.561 -6.401 -0.891 125 1HG LYS 14 HG1 LYS 14 -20.452 -3.975 -1.127 126 2HG LYS 14 HG2 LYS 14 -20.034 -4.182 -2.830 127 1HD LYS 14 HD1 LYS 14 -21.580 -6.356 -1.535 128 2HD LYS 14 HD2 LYS 14 -22.425 -4.838 -1.851 129 1HE LYS 14 HE2 LYS 14 -22.075 -4.990 -4.162 130 2HE LYS 14 HE1 LYS 14 -20.811 -6.205 -3.978 131 1HZ LYS 14 HZ1 LYS 14 -23.726 -6.526 -3.842 132 2HZ LYS 14 HZ2 LYS 14 -22.746 -7.586 -2.960 133 3HZ LYS 14 HZ3 LYS 14 -22.577 -7.475 -4.640 134 H GLU 15 HN GLU 15 -16.539 -6.923 -1.186 135 HA GLU 15 HA GLU 15 -16.683 -8.016 1.482 136 1HB GLU 15 HB1 GLU 15 -14.840 -8.885 -0.746 137 2HB GLU 15 HB2 GLU 15 -15.373 -9.830 0.637 138 1HG GLU 15 HG2 GLU 15 -17.433 -8.797 -1.235 139 2HG GLU 15 HG1 GLU 15 -16.425 -10.147 -1.756 140 H LEU 16 HN LEU 16 -14.558 -5.997 -0.354 141 HA LEU 16 HA LEU 16 -12.404 -6.204 1.597 142 1HB LEU 16 HB2 LEU 16 -12.704 -5.133 -1.151 143 2HB LEU 16 HB1 LEU 16 -11.553 -4.312 -0.116 144 HG LEU 16 HG LEU 16 -10.158 -6.180 0.031 145 1HD1 LEU 16 HD11 LEU 16 -11.838 -7.830 0.639 146 2HD1 LEU 16 HD12 LEU 16 -10.799 -8.443 -0.648 147 3HD1 LEU 16 HD13 LEU 16 -12.424 -7.867 -1.024 148 1HD2 LEU 16 HD21 LEU 16 -11.379 -5.989 -2.702 149 2HD2 LEU 16 HD22 LEU 16 -10.009 -7.049 -2.364 150 3HD2 LEU 16 HD23 LEU 16 -9.858 -5.308 -2.120 151 H SER 17 HN SER 17 -15.174 -4.826 1.897 152 HA SER 17 HA SER 17 -15.380 -2.214 1.988 153 1HB SER 17 HB1 SER 17 -15.905 -4.032 4.347 154 2HB SER 17 HB2 SER 17 -16.522 -2.386 4.206 155 HG SER 17 HG SER 17 -18.055 -3.899 3.482 156 H VAL 18 HN VAL 18 -13.416 -1.123 1.979 157 HA VAL 18 HA VAL 18 -11.595 -1.213 4.178 158 HB VAL 18 HB VAL 18 -10.477 0.668 3.115 159 1HG1 VAL 18 HG21 VAL 18 -11.142 -0.870 0.707 160 2HG1 VAL 18 HG22 VAL 18 -10.690 -1.841 2.108 161 3HG1 VAL 18 HG23 VAL 18 -9.586 -0.608 1.497 162 1HG2 VAL 18 HG11 VAL 18 -11.399 2.063 1.594 163 2HG2 VAL 18 HG12 VAL 18 -12.910 1.513 2.318 164 3HG2 VAL 18 HG13 VAL 18 -12.330 0.779 0.824 165 H GLU 19 HN GLU 19 -14.556 0.385 3.598 166 HA GLU 19 HA GLU 19 -14.335 2.772 4.965 167 1HB GLU 19 HB2 GLU 19 -16.811 2.321 5.539 168 2HB GLU 19 HB1 GLU 19 -16.357 2.404 3.841 169 1HG GLU 19 HG1 GLU 19 -17.174 0.380 3.503 170 2HG GLU 19 HG2 GLU 19 -16.077 -0.289 4.712 171 H LYS 20 HN LYS 20 -14.299 -0.455 6.198 172 HA LYS 20 HA LYS 20 -14.747 0.487 8.934 173 1HB LYS 20 HB2 LYS 20 -14.450 -2.138 9.304 174 2HB LYS 20 HB1 LYS 20 -15.982 -1.419 8.839 175 1HG LYS 20 HG2 LYS 20 -15.502 -1.955 6.489 176 2HG LYS 20 HG1 LYS 20 -13.998 -2.728 6.992 177 1HD LYS 20 HD2 LYS 20 -16.347 -3.667 8.455 178 2HD LYS 20 HD1 LYS 20 -16.417 -3.984 6.719 179 1HE LYS 20 HE1 LYS 20 -14.299 -5.129 6.796 180 2HE LYS 20 HE2 LYS 20 -14.094 -4.711 8.497 181 1HZ LYS 20 HZ1 LYS 20 -16.205 -5.998 8.889 182 2HZ LYS 20 HZ2 LYS 20 -14.857 -6.918 8.448 183 3HZ LYS 20 HZ3 LYS 20 -16.061 -6.580 7.308 184 H TRP 21 HN TRP 21 -12.230 -0.495 6.802 185 HA TRP 21 HA TRP 21 -10.344 -1.282 8.795 186 1HB TRP 21 HB2 TRP 21 -9.651 -0.201 6.065 187 2HB TRP 21 HB1 TRP 21 -8.726 -1.323 7.053 188 HD1 TRP 21 HD1 TRP 21 -12.084 -2.649 7.240 189 HE1 TRP 21 HE1 TRP 21 -12.498 -4.464 5.469 190 HE3 TRP 21 HE3 TRP 21 -8.061 -1.762 4.209 191 HZ2 TRP 21 HZ2 TRP 21 -11.277 -5.409 3.108 192 HZ3 TRP 21 HZ3 TRP 21 -7.755 -3.171 2.215 193 HH2 TRP 21 HH2 TRP 21 -9.332 -4.957 1.677 194 HA PRO 22 HA PRO 22 -9.065 2.570 10.538 195 1HB PRO 22 HB2 PRO 22 -6.296 2.093 10.427 196 2HB PRO 22 HB1 PRO 22 -7.369 1.725 11.778 197 1HG PRO 22 HG1 PRO 22 -6.335 -0.057 9.639 198 2HG PRO 22 HG2 PRO 22 -6.709 -0.429 11.330 199 1HD PRO 22 HD1 PRO 22 -8.319 -1.209 9.329 200 2HD PRO 22 HD2 PRO 22 -8.974 -0.694 10.898 201 H ILE 23 HN ILE 23 -7.282 4.308 10.076 202 HA ILE 23 HA ILE 23 -6.831 4.531 7.180 203 HB ILE 23 HB ILE 23 -7.849 6.797 8.897 204 1HG1 ILE 23 HG12 ILE 23 -9.843 6.507 7.215 205 2HG1 ILE 23 HG11 ILE 23 -9.234 4.861 7.070 206 1HG2 ILE 23 HG21 ILE 23 -8.260 7.615 6.393 207 2HG2 ILE 23 HG22 ILE 23 -6.861 6.577 6.115 208 3HG2 ILE 23 HG23 ILE 23 -6.753 7.917 7.258 209 1HD1 ILE 23 HD11 ILE 23 -10.464 4.360 8.837 210 2HD1 ILE 23 HD12 ILE 23 -10.812 6.060 9.156 211 3HD1 ILE 23 HD13 ILE 23 -9.346 5.324 9.802 212 H TRP 24 HN TRP 24 -5.033 5.740 6.559 213 HA TRP 24 HA TRP 24 -3.278 6.673 8.723 214 1HB TRP 24 HB1 TRP 24 -2.675 4.356 7.806 215 2HB TRP 24 HB2 TRP 24 -2.226 5.185 6.318 216 HD1 TRP 24 HD1 TRP 24 -1.435 6.026 10.035 217 HE1 TRP 24 HE1 TRP 24 1.108 6.369 10.239 218 HE3 TRP 24 HE3 TRP 24 -0.091 5.028 5.206 219 HZ2 TRP 24 HZ2 TRP 24 3.382 6.234 8.573 220 HZ3 TRP 24 HZ3 TRP 24 2.288 5.157 4.592 221 HH2 TRP 24 HH2 TRP 24 3.988 5.748 6.243 222 H GLU 25 HN GLU 25 -1.860 8.350 8.193 223 HA GLU 25 HA GLU 25 -2.275 9.607 5.564 224 1HB GLU 25 HB2 GLU 25 -1.867 11.295 8.005 225 2HB GLU 25 HB1 GLU 25 -2.626 11.717 6.475 226 1HG GLU 25 HG1 GLU 25 -4.487 10.128 7.119 227 2HG GLU 25 HG2 GLU 25 -3.768 10.098 8.729 228 H LYS 26 HN LYS 26 -0.440 10.249 4.551 229 HA LYS 26 HA LYS 26 2.011 10.509 6.130 230 1HB LYS 26 HB2 LYS 26 1.956 8.188 5.354 231 2HB LYS 26 HB1 LYS 26 1.744 8.736 3.698 232 1HG LYS 26 HG2 LYS 26 4.012 8.167 3.899 233 2HG LYS 26 HG1 LYS 26 3.959 9.930 3.949 234 1HD LYS 26 HD2 LYS 26 3.745 9.375 6.577 235 2HD LYS 26 HD1 LYS 26 4.708 7.994 6.045 236 1HE LYS 26 HE2 LYS 26 6.532 9.252 5.877 237 2HE LYS 26 HE1 LYS 26 5.692 10.417 4.853 238 1HZ LYS 26 HZ1 LYS 26 6.351 11.629 6.712 239 2HZ LYS 26 HZ2 LYS 26 5.932 10.401 7.798 240 3HZ LYS 26 HZ3 LYS 26 4.722 11.292 7.019 241 H GLU 27 HN GLU 27 3.081 12.262 5.615 242 HA GLU 27 HA GLU 27 2.376 13.928 3.413 243 1HB GLU 27 HB1 GLU 27 4.510 15.167 4.130 244 2HB GLU 27 HB2 GLU 27 3.192 15.086 5.289 245 1HG GLU 27 HG1 GLU 27 5.048 12.863 5.536 246 2HG GLU 27 HG2 GLU 27 5.814 14.434 5.764 247 H VAL 28 HN VAL 28 3.828 14.639 1.747 248 HA VAL 28 HA VAL 28 4.753 12.508 0.202 249 HB VAL 28 HB VAL 28 5.374 14.117 -1.406 250 1HG1 VAL 28 HG21 VAL 28 2.955 13.958 -0.717 251 2HG1 VAL 28 HG22 VAL 28 3.417 15.395 -1.625 252 3HG1 VAL 28 HG23 VAL 28 3.193 15.487 0.122 253 1HG2 VAL 28 HG11 VAL 28 5.138 16.634 -0.182 254 2HG2 VAL 28 HG12 VAL 28 6.592 15.897 -0.856 255 3HG2 VAL 28 HG13 VAL 28 6.203 15.678 0.849 256 H SER 29 HN SER 29 6.270 12.098 2.524 257 HA SER 29 HA SER 29 8.957 13.071 1.942 258 1HB SER 29 HB1 SER 29 8.107 13.150 4.291 259 2HB SER 29 HB2 SER 29 8.008 11.389 4.275 260 HG SER 29 HG SER 29 10.387 12.847 3.773 261 H GLU 30 HN GLU 30 10.362 10.889 3.033 262 HA GLU 30 HA GLU 30 9.628 8.556 1.453 263 1HB GLU 30 HB2 GLU 30 12.307 9.938 1.183 264 2HB GLU 30 HB1 GLU 30 11.913 8.363 0.506 265 1HG GLU 30 HG1 GLU 30 11.540 9.634 -1.326 266 2HG GLU 30 HG2 GLU 30 9.940 9.748 -0.593 267 H PHE 31 HN PHE 31 9.887 6.788 2.658 268 HA PHE 31 HA PHE 31 11.844 6.886 4.857 269 1HB PHE 31 HB2 PHE 31 10.125 5.288 6.004 270 2HB PHE 31 HB1 PHE 31 9.849 7.026 6.031 271 HD1 PHE 31 HD1 PHE 31 8.410 3.904 5.359 272 HD2 PHE 31 HD2 PHE 31 8.412 7.949 4.036 273 HE1 PHE 31 HE1 PHE 31 6.203 3.564 4.327 274 HE2 PHE 31 HE2 PHE 31 6.205 7.617 3.002 275 HZ PHE 31 HZ PHE 31 5.094 5.424 3.152 276 H ASP 32 HN ASP 32 12.855 4.997 5.455 277 HA ASP 32 HA ASP 32 12.790 2.865 3.429 278 1HB ASP 32 HB2 ASP 32 14.971 3.075 5.470 279 2HB ASP 32 HB1 ASP 32 15.034 2.448 3.828 280 H TRP 33 HN TRP 33 11.200 1.528 4.169 281 HA TRP 33 HA TRP 33 11.405 0.632 6.962 282 1HB TRP 33 HB2 TRP 33 9.327 1.735 6.663 283 2HB TRP 33 HB1 TRP 33 9.038 0.940 5.120 284 HD1 TRP 33 HD1 TRP 33 9.166 0.044 8.888 285 HE1 TRP 33 HE1 TRP 33 7.553 -1.923 9.282 286 HE3 TRP 33 HE3 TRP 33 7.769 -0.835 4.053 287 HZ2 TRP 33 HZ2 TRP 33 5.905 -3.625 7.740 288 HZ3 TRP 33 HZ3 TRP 33 6.172 -2.648 3.596 289 HH2 TRP 33 HH2 TRP 33 5.263 -4.014 5.399 290 H TYR 34 HN TYR 34 10.857 -1.540 7.463 291 HA TYR 34 HA TYR 34 11.399 -3.438 5.275 292 1HB TYR 34 HB2 TYR 34 13.307 -3.609 6.600 293 2HB TYR 34 HB1 TYR 34 12.428 -3.287 8.089 294 HD1 TYR 34 HD1 TYR 34 13.528 -5.841 5.744 295 HD2 TYR 34 HD2 TYR 34 11.186 -5.091 9.213 296 HE1 TYR 34 HE1 TYR 34 13.476 -8.252 6.222 297 HE2 TYR 34 HE2 TYR 34 11.126 -7.500 9.703 298 HH TYR 34 HH TYR 34 12.386 -9.863 7.447 299 H TYR 35 HN TYR 35 10.115 -5.263 5.148 300 HA TYR 35 HA TYR 35 7.571 -5.085 6.476 301 1HB TYR 35 HB2 TYR 35 8.545 -6.237 4.085 302 2HB TYR 35 HB1 TYR 35 7.869 -7.544 5.038 303 HD1 TYR 35 HD1 TYR 35 7.160 -4.690 2.994 304 HD2 TYR 35 HD2 TYR 35 5.491 -7.386 5.827 305 HE1 TYR 35 HE1 TYR 35 4.907 -4.033 2.282 306 HE2 TYR 35 HE2 TYR 35 3.229 -6.737 5.118 307 HH TYR 35 HH TYR 35 2.048 -5.689 3.449 308 H ASP 36 HN ASP 36 6.801 -6.268 8.123 309 HA ASP 36 HA ASP 36 8.562 -8.355 9.232 310 1HB ASP 36 HB1 ASP 36 7.741 -5.984 10.440 311 2HB ASP 36 HB2 ASP 36 6.685 -7.208 11.140 312 H THR 37 HN THR 37 5.268 -7.407 8.493 313 HA THR 37 HA THR 37 4.469 -10.205 8.605 314 HB THR 37 HB THR 37 2.928 -8.060 10.079 315 HG1 THR 37 HG1 THR 37 3.768 -8.842 11.888 316 1HG2 THR 37 HG21 THR 37 1.856 -10.218 11.054 317 2HG2 THR 37 HG22 THR 37 2.379 -10.928 9.527 318 3HG2 THR 37 HG23 THR 37 1.283 -9.547 9.527 319 H ASN 38 HN ASN 38 2.769 -10.718 7.235 320 HA ASN 38 HA ASN 38 2.464 -9.383 4.883 321 1HB ASN 38 HB1 ASN 38 1.636 -11.688 5.376 322 2HB ASN 38 HB2 ASN 38 0.263 -10.973 6.215 323 1HD2 ASN 38 HD22 ASN 38 0.817 -12.558 3.600 324 2HD2 ASN 38 HD21 ASN 38 -0.177 -11.741 2.448 325 H GLU 39 HN GLU 39 1.660 -7.485 4.306 326 HA GLU 39 HA GLU 39 -0.621 -6.403 5.804 327 1HB GLU 39 HB1 GLU 39 0.850 -4.956 6.735 328 2HB GLU 39 HB2 GLU 39 2.065 -5.239 5.506 329 1HG GLU 39 HG2 GLU 39 0.927 -3.697 4.001 330 2HG GLU 39 HG1 GLU 39 -0.312 -3.416 5.221 331 H THR 40 HN THR 40 -2.241 -5.765 4.578 332 HA THR 40 HA THR 40 -1.731 -5.158 1.739 333 HB THR 40 HB THR 40 -4.228 -6.400 2.917 334 HG1 THR 40 HG1 THR 40 -3.427 -8.267 2.374 335 1HG2 THR 40 HG21 THR 40 -3.873 -5.042 0.477 336 2HG2 THR 40 HG22 THR 40 -5.272 -5.964 1.027 337 3HG2 THR 40 HG23 THR 40 -3.993 -6.763 0.113 338 H CYS 41 HN CYS 41 -2.339 -3.150 1.112 339 HA CYS 41 HA CYS 41 -4.193 -1.693 2.865 340 1HB CYS 41 HB2 CYS 41 -2.675 0.355 2.244 341 2HB CYS 41 HB1 CYS 41 -2.230 -0.712 3.572 342 HG CYS 41 HG CYS 41 -0.346 -0.087 1.566 343 H TYR 42 HN TYR 42 -5.215 0.142 1.911 344 HA TYR 42 HA TYR 42 -5.430 -0.033 -1.019 345 1HB TYR 42 HB1 TYR 42 -7.457 -0.925 -0.330 346 2HB TYR 42 HB2 TYR 42 -7.506 0.053 1.131 347 HD1 TYR 42 HD1 TYR 42 -8.742 2.059 1.199 348 HD2 TYR 42 HD2 TYR 42 -7.972 0.188 -2.543 349 HE1 TYR 42 HE1 TYR 42 -10.311 3.607 0.107 350 HE2 TYR 42 HE2 TYR 42 -9.535 1.729 -3.645 351 HH TYR 42 HH TYR 42 -10.638 3.745 -3.366 352 H ILE 43 HN ILE 43 -4.938 1.791 -2.049 353 HA ILE 43 HA ILE 43 -4.399 4.207 -0.580 354 HB ILE 43 HB ILE 43 -4.345 3.661 -3.548 355 1HG1 ILE 43 HG11 ILE 43 -2.657 2.538 -1.968 356 2HG1 ILE 43 HG12 ILE 43 -2.009 3.425 -3.345 357 1HG2 ILE 43 HG21 ILE 43 -4.636 5.938 -3.560 358 2HG2 ILE 43 HG22 ILE 43 -2.880 5.829 -3.441 359 3HG2 ILE 43 HG23 ILE 43 -3.842 6.157 -2.000 360 1HD1 ILE 43 HD11 ILE 43 -1.325 5.225 -1.993 361 2HD1 ILE 43 HD12 ILE 43 -0.824 3.753 -1.156 362 3HD1 ILE 43 HD13 ILE 43 -2.252 4.634 -0.611 363 H LEU 44 HN LEU 44 -5.442 6.183 -0.764 364 HA LEU 44 HA LEU 44 -8.152 6.094 -1.918 365 1HB LEU 44 HB2 LEU 44 -8.107 6.047 0.570 366 2HB LEU 44 HB1 LEU 44 -7.277 7.591 0.553 367 HG LEU 44 HG LEU 44 -9.214 8.668 -0.442 368 1HD1 LEU 44 HD21 LEU 44 -11.319 6.962 -0.301 369 2HD1 LEU 44 HD22 LEU 44 -10.043 5.888 -0.874 370 3HD1 LEU 44 HD23 LEU 44 -10.439 7.349 -1.779 371 1HD2 LEU 44 HD11 LEU 44 -10.894 7.718 1.487 372 2HD2 LEU 44 HD12 LEU 44 -9.641 8.934 1.739 373 3HD2 LEU 44 HD13 LEU 44 -9.313 7.241 2.108 374 H GLU 45 HN GLU 45 -5.329 8.060 -1.174 375 HA GLU 45 HA GLU 45 -5.597 9.603 -3.536 376 1HB GLU 45 HB2 GLU 45 -5.968 11.802 -2.483 377 2HB GLU 45 HB1 GLU 45 -7.348 10.733 -2.273 378 1HG GLU 45 HG2 GLU 45 -6.299 10.167 0.003 379 2HG GLU 45 HG1 GLU 45 -5.331 11.619 -0.249 380 H GLY 46 HN GLY 46 -3.470 9.285 -3.967 381 1HA GLY 46 HA2 GLY 46 -1.496 10.907 -2.994 382 2HA GLY 46 HA1 GLY 46 -1.451 9.502 -1.939 383 H LYS 47 HN LYS 47 0.741 10.137 -3.423 384 HA LYS 47 HA LYS 47 0.762 7.998 -5.443 385 1HB LYS 47 HB1 LYS 47 1.315 10.763 -5.809 386 2HB LYS 47 HB2 LYS 47 2.837 9.897 -5.963 387 1HG LYS 47 HG1 LYS 47 1.157 8.349 -7.449 388 2HG LYS 47 HG2 LYS 47 0.527 9.971 -7.739 389 1HD LYS 47 HD1 LYS 47 2.122 9.757 -9.403 390 2HD LYS 47 HD2 LYS 47 3.018 10.590 -8.131 391 1HE LYS 47 HE1 LYS 47 4.422 8.856 -8.943 392 2HE LYS 47 HE2 LYS 47 3.827 8.339 -7.365 393 1HZ LYS 47 HZ1 LYS 47 2.546 6.713 -8.272 394 2HZ LYS 47 HZ2 LYS 47 3.785 6.741 -9.425 395 3HZ LYS 47 HZ3 LYS 47 2.319 7.526 -9.738 396 H VAL 48 HN VAL 48 2.067 6.396 -4.916 397 HA VAL 48 HA VAL 48 4.473 6.999 -3.333 398 HB VAL 48 HB VAL 48 2.401 4.887 -2.829 399 1HG1 VAL 48 HG21 VAL 48 5.246 4.762 -1.820 400 2HG1 VAL 48 HG22 VAL 48 4.518 3.654 -2.983 401 3HG1 VAL 48 HG23 VAL 48 3.922 3.708 -1.324 402 1HG2 VAL 48 HG11 VAL 48 2.571 5.665 -0.551 403 2HG2 VAL 48 HG12 VAL 48 2.320 7.038 -1.632 404 3HG2 VAL 48 HG13 VAL 48 3.926 6.710 -0.979 405 H GLU 49 HN GLU 49 6.292 6.281 -4.194 406 HA GLU 49 HA GLU 49 6.145 4.241 -6.310 407 1HB GLU 49 HB2 GLU 49 8.288 6.325 -5.835 408 2HB GLU 49 HB1 GLU 49 8.261 5.158 -7.150 409 1HG GLU 49 HG1 GLU 49 6.202 6.178 -8.004 410 2HG GLU 49 HG2 GLU 49 6.260 7.360 -6.698 411 H VAL 50 HN VAL 50 6.726 2.299 -5.598 412 HA VAL 50 HA VAL 50 8.560 2.100 -3.325 413 HB VAL 50 HB VAL 50 6.728 0.032 -4.549 414 1HG1 VAL 50 HG11 VAL 50 8.640 -0.114 -2.238 415 2HG1 VAL 50 HG12 VAL 50 8.495 -1.198 -3.621 416 3HG1 VAL 50 HG13 VAL 50 7.249 -1.192 -2.371 417 1HG2 VAL 50 HG21 VAL 50 6.485 1.347 -1.856 418 2HG2 VAL 50 HG22 VAL 50 5.290 0.370 -2.710 419 3HG2 VAL 50 HG23 VAL 50 5.698 1.981 -3.302 420 H THR 51 HN THR 51 10.507 1.191 -3.429 421 HA THR 51 HA THR 51 11.260 -0.278 -5.860 422 HB THR 51 HB THR 51 13.070 1.644 -4.382 423 HG1 THR 51 HG1 THR 51 12.597 3.107 -5.862 424 1HG2 THR 51 HG21 THR 51 13.461 -0.157 -6.713 425 2HG2 THR 51 HG22 THR 51 14.558 0.239 -5.388 426 3HG2 THR 51 HG23 THR 51 14.284 1.404 -6.684 427 H THR 52 HN THR 52 11.670 -2.311 -5.274 428 HA THR 52 HA THR 52 12.501 -2.884 -2.544 429 HB THR 52 HB THR 52 12.045 -5.214 -3.086 430 HG1 THR 52 HG1 THR 52 12.539 -5.611 -5.113 431 1HG2 THR 52 HG21 THR 52 9.697 -5.135 -3.657 432 2HG2 THR 52 HG22 THR 52 9.869 -3.467 -4.203 433 3HG2 THR 52 HG23 THR 52 10.102 -3.867 -2.501 434 H GLU 53 HN GLU 53 14.382 -3.918 -1.962 435 HA GLU 53 HA GLU 53 16.718 -3.312 -3.301 436 1HB GLU 53 HB2 GLU 53 17.702 -5.231 -1.890 437 2HB GLU 53 HB1 GLU 53 16.956 -3.881 -1.044 438 1HG GLU 53 HG2 GLU 53 15.648 -5.302 0.023 439 2HG GLU 53 HG1 GLU 53 14.921 -5.768 -1.514 440 H ASP 54 HN ASP 54 14.781 -6.267 -3.462 441 HA ASP 54 HA ASP 54 16.452 -7.907 -4.912 442 1HB ASP 54 HB1 ASP 54 13.449 -7.601 -5.100 443 2HB ASP 54 HB2 ASP 54 14.347 -8.918 -5.849 444 H GLY 55 HN GLY 55 14.600 -5.148 -5.994 445 1HA GLY 55 HA1 GLY 55 15.587 -3.952 -7.916 446 2HA GLY 55 HA2 GLY 55 15.748 -5.519 -8.691 447 H LYS 56 HN LYS 56 12.898 -4.820 -6.852 448 HA LYS 56 HA LYS 56 11.351 -4.800 -9.342 449 1HB LYS 56 HB1 LYS 56 10.132 -5.087 -6.616 450 2HB LYS 56 HB2 LYS 56 9.552 -5.694 -8.159 451 1HG LYS 56 HG1 LYS 56 11.839 -6.759 -6.525 452 2HG LYS 56 HG2 LYS 56 10.298 -7.548 -6.872 453 1HD LYS 56 HD1 LYS 56 11.381 -6.899 -9.367 454 2HD LYS 56 HD2 LYS 56 12.730 -7.523 -8.415 455 1HE LYS 56 HE1 LYS 56 11.504 -9.542 -7.920 456 2HE LYS 56 HE2 LYS 56 10.074 -8.912 -8.736 457 1HZ LYS 56 HZ1 LYS 56 12.669 -9.625 -9.987 458 2HZ LYS 56 HZ2 LYS 56 11.409 -8.845 -10.804 459 3HZ LYS 56 HZ3 LYS 56 11.185 -10.409 -10.199 460 H LYS 57 HN LYS 57 9.160 -3.552 -8.988 461 HA LYS 57 HA LYS 57 9.420 -1.128 -7.458 462 1HB LYS 57 HB1 LYS 57 10.673 -0.871 -9.732 463 2HB LYS 57 HB2 LYS 57 9.053 -0.736 -10.405 464 1HG LYS 57 HG1 LYS 57 9.433 1.458 -10.037 465 2HG LYS 57 HG2 LYS 57 8.827 1.042 -8.432 466 1HD LYS 57 HD2 LYS 57 10.876 2.378 -8.304 467 2HD LYS 57 HD1 LYS 57 11.107 0.765 -7.623 468 1HE LYS 57 HE2 LYS 57 12.525 0.118 -9.276 469 2HE LYS 57 HE1 LYS 57 11.734 1.116 -10.496 470 1HZ LYS 57 HZ1 LYS 57 13.921 1.966 -10.015 471 2HZ LYS 57 HZ2 LYS 57 13.565 2.078 -8.366 472 3HZ LYS 57 HZ3 LYS 57 12.762 3.072 -9.472 473 H TYR 58 HN TYR 58 7.465 -0.301 -6.930 474 HA TYR 58 HA TYR 58 5.124 -1.193 -8.455 475 1HB TYR 58 HB2 TYR 58 4.882 -1.124 -5.485 476 2HB TYR 58 HB1 TYR 58 4.029 -2.120 -6.658 477 HD1 TYR 58 HD1 TYR 58 5.744 -3.756 -8.002 478 HD2 TYR 58 HD2 TYR 58 6.269 -2.266 -4.051 479 HE1 TYR 58 HE1 TYR 58 7.225 -5.652 -7.488 480 HE2 TYR 58 HE2 TYR 58 7.749 -4.156 -3.526 481 HH TYR 58 HH TYR 58 9.133 -6.097 -5.812 482 H VAL 59 HN VAL 59 4.140 0.572 -9.131 483 HA VAL 59 HA VAL 59 4.165 2.972 -7.438 484 HB VAL 59 HB VAL 59 3.396 4.168 -9.490 485 1HG1 VAL 59 HG11 VAL 59 5.772 3.252 -10.668 486 2HG1 VAL 59 HG12 VAL 59 5.986 3.068 -8.926 487 3HG1 VAL 59 HG13 VAL 59 5.564 4.642 -9.602 488 1HG2 VAL 59 HG21 VAL 59 3.040 1.518 -10.436 489 2HG2 VAL 59 HG22 VAL 59 4.261 2.295 -11.443 490 3HG2 VAL 59 HG23 VAL 59 2.671 3.034 -11.255 491 H ILE 60 HN ILE 60 2.413 3.247 -6.229 492 HA ILE 60 HA ILE 60 -0.183 2.364 -7.307 493 HB ILE 60 HB ILE 60 -0.855 2.057 -4.885 494 1HG1 ILE 60 HG11 ILE 60 1.972 1.597 -4.161 495 2HG1 ILE 60 HG12 ILE 60 1.512 3.288 -4.338 496 1HG2 ILE 60 HG21 ILE 60 0.903 0.354 -6.511 497 2HG2 ILE 60 HG22 ILE 60 -0.667 0.005 -5.786 498 3HG2 ILE 60 HG23 ILE 60 0.797 -0.084 -4.806 499 1HD1 ILE 60 HD11 ILE 60 1.048 1.533 -2.157 500 2HD1 ILE 60 HD12 ILE 60 -0.506 2.038 -2.822 501 3HD1 ILE 60 HD13 ILE 60 0.667 3.249 -2.305 502 H GLU 61 HN GLU 61 -1.549 4.000 -7.648 503 HA GLU 61 HA GLU 61 -1.541 6.242 -5.776 504 1HB GLU 61 HB2 GLU 61 -0.117 6.897 -7.685 505 2HB GLU 61 HB1 GLU 61 -1.460 6.593 -8.778 506 1HG GLU 61 HG1 GLU 61 -2.730 8.301 -7.324 507 2HG GLU 61 HG2 GLU 61 -1.127 8.770 -6.760 508 H LYS 62 HN LYS 62 -3.435 7.049 -5.300 509 HA LYS 62 HA LYS 62 -5.684 7.170 -5.060 510 1HB LYS 62 HB1 LYS 62 -4.932 8.286 -7.414 511 2HB LYS 62 HB2 LYS 62 -6.148 7.143 -7.971 512 1HG LYS 62 HG1 LYS 62 -6.465 9.475 -6.122 513 2HG LYS 62 HG2 LYS 62 -7.342 9.103 -7.607 514 1HD LYS 62 HD1 LYS 62 -8.333 7.126 -6.434 515 2HD LYS 62 HD2 LYS 62 -7.573 7.698 -4.949 516 1HE LYS 62 HE1 LYS 62 -9.193 9.172 -4.599 517 2HE LYS 62 HE2 LYS 62 -9.017 9.831 -6.224 518 1HZ LYS 62 HZ1 LYS 62 -10.699 8.569 -7.019 519 2HZ LYS 62 HZ2 LYS 62 -11.218 8.638 -5.411 520 3HZ LYS 62 HZ3 LYS 62 -10.395 7.272 -5.976 521 H GLY 63 HN GLY 63 -6.920 5.652 -4.363 522 1HA GLY 63 HA2 GLY 63 -8.135 3.707 -4.204 523 2HA GLY 63 HA1 GLY 63 -8.658 4.170 -5.812 524 H ASP 64 HN ASP 64 -5.789 2.659 -4.328 525 HA ASP 64 HA ASP 64 -6.213 0.332 -6.010 526 1HB ASP 64 HB1 ASP 64 -3.982 0.290 -6.927 527 2HB ASP 64 HB2 ASP 64 -4.740 1.824 -7.345 528 H LEU 65 HN LEU 65 -4.883 -1.516 -5.348 529 HA LEU 65 HA LEU 65 -3.735 -1.266 -2.675 530 1HB LEU 65 HB2 LEU 65 -5.066 -2.796 -1.639 531 2HB LEU 65 HB1 LEU 65 -6.215 -2.027 -2.708 532 HG LEU 65 HG LEU 65 -4.941 -4.734 -3.048 533 1HD1 LEU 65 HD21 LEU 65 -6.707 -5.214 -1.742 534 2HD1 LEU 65 HD22 LEU 65 -7.615 -5.053 -3.245 535 3HD1 LEU 65 HD23 LEU 65 -7.526 -3.698 -2.118 536 1HD2 LEU 65 HD11 LEU 65 -6.114 -2.935 -5.025 537 2HD2 LEU 65 HD12 LEU 65 -6.830 -4.543 -4.998 538 3HD2 LEU 65 HD13 LEU 65 -5.095 -4.355 -5.248 539 H VAL 66 HN VAL 66 -2.203 -2.843 -2.127 540 HA VAL 66 HA VAL 66 -1.394 -4.662 -4.283 541 HB VAL 66 HB VAL 66 0.457 -2.769 -2.831 542 1HG1 VAL 66 HG21 VAL 66 0.972 -5.070 -4.676 543 2HG1 VAL 66 HG22 VAL 66 1.735 -4.687 -3.134 544 3HG1 VAL 66 HG23 VAL 66 2.103 -3.723 -4.564 545 1HG2 VAL 66 HG11 VAL 66 -0.608 -1.503 -4.470 546 2HG2 VAL 66 HG12 VAL 66 -0.644 -2.842 -5.616 547 3HG2 VAL 66 HG13 VAL 66 0.880 -2.033 -5.254 548 H THR 67 HN THR 67 -0.140 -6.457 -3.631 549 HA THR 67 HA THR 67 -0.470 -7.132 -0.787 550 HB THR 67 HB THR 67 -0.030 -8.875 -3.219 551 HG1 THR 67 HG1 THR 67 -2.115 -9.682 -2.484 552 1HG2 THR 67 HG21 THR 67 1.089 -10.044 -1.527 553 2HG2 THR 67 HG22 THR 67 -0.521 -10.758 -1.609 554 3HG2 THR 67 HG23 THR 67 -0.125 -9.622 -0.320 555 H PHE 68 HN PHE 68 1.280 -7.900 0.423 556 HA PHE 68 HA PHE 68 3.914 -7.805 -0.846 557 1HB PHE 68 HB2 PHE 68 3.197 -6.255 1.639 558 2HB PHE 68 HB1 PHE 68 4.788 -6.321 0.890 559 HD1 PHE 68 HD1 PHE 68 1.475 -4.856 0.798 560 HD2 PHE 68 HD2 PHE 68 5.174 -5.204 -1.273 561 HE1 PHE 68 HE1 PHE 68 0.879 -2.910 -0.583 562 HE2 PHE 68 HE2 PHE 68 4.586 -3.258 -2.659 563 HZ PHE 68 HZ PHE 68 2.437 -2.108 -2.315 564 HA PRO 69 HA PRO 69 4.480 -11.223 1.945 565 1HB PRO 69 HB1 PRO 69 6.969 -11.896 1.236 566 2HB PRO 69 HB2 PRO 69 5.614 -12.104 0.126 567 1HG PRO 69 HG1 PRO 69 7.728 -10.009 0.168 568 2HG PRO 69 HG2 PRO 69 6.937 -10.777 -1.218 569 1HD PRO 69 HD2 PRO 69 6.304 -8.275 -0.143 570 2HD PRO 69 HD1 PRO 69 5.293 -9.213 -1.256 571 H LYS 70 HN LYS 70 5.329 -11.618 3.941 572 HA LYS 70 HA LYS 70 6.375 -9.611 5.526 573 1HB LYS 70 HB1 LYS 70 5.443 -11.581 6.537 574 2HB LYS 70 HB2 LYS 70 6.637 -12.612 5.760 575 1HG LYS 70 HG1 LYS 70 8.365 -11.843 7.157 576 2HG LYS 70 HG2 LYS 70 7.401 -10.481 7.731 577 1HD LYS 70 HD2 LYS 70 7.392 -12.075 9.479 578 2HD LYS 70 HD1 LYS 70 5.809 -12.188 8.706 579 1HE LYS 70 HE1 LYS 70 6.351 -14.194 7.627 580 2HE LYS 70 HE2 LYS 70 8.079 -13.972 7.896 581 1HZ LYS 70 HZ1 LYS 70 6.009 -14.869 9.783 582 2HZ LYS 70 HZ2 LYS 70 7.399 -14.107 10.374 583 3HZ LYS 70 HZ3 LYS 70 7.533 -15.531 9.472 584 H GLY 71 HN GLY 71 8.439 -8.978 6.129 585 1HA GLY 71 HA2 GLY 71 10.778 -8.995 6.108 586 2HA GLY 71 HA1 GLY 71 10.733 -10.328 4.966 587 H LEU 72 HN LEU 72 8.804 -8.743 3.236 588 HA LEU 72 HA LEU 72 10.504 -7.846 1.316 589 1HB LEU 72 HB2 LEU 72 8.231 -8.028 0.755 590 2HB LEU 72 HB1 LEU 72 7.732 -6.949 2.040 591 HG LEU 72 HG LEU 72 8.231 -5.041 0.827 592 1HD1 LEU 72 HD11 LEU 72 10.323 -4.962 0.020 593 2HD1 LEU 72 HD12 LEU 72 9.609 -5.581 -1.470 594 3HD1 LEU 72 HD13 LEU 72 10.360 -6.692 -0.323 595 1HD2 LEU 72 HD21 LEU 72 7.248 -5.289 -1.353 596 2HD2 LEU 72 HD22 LEU 72 6.398 -6.327 -0.208 597 3HD2 LEU 72 HD23 LEU 72 7.559 -7.024 -1.337 598 H ARG 73 HN ARG 73 12.282 -6.712 2.050 599 HA ARG 73 HA ARG 73 11.890 -4.182 3.427 600 1HB ARG 73 HB1 ARG 73 13.785 -5.923 3.830 601 2HB ARG 73 HB2 ARG 73 14.533 -5.190 2.417 602 1HG ARG 73 HG1 ARG 73 13.733 -3.091 4.134 603 2HG ARG 73 HG2 ARG 73 14.563 -4.301 5.115 604 1HD ARG 73 HD2 ARG 73 15.927 -3.848 2.605 605 2HD ARG 73 HD1 ARG 73 15.736 -2.351 3.516 606 HE ARG 73 HE ARG 73 17.443 -4.556 4.162 607 1HH1 ARG 73 HH12 ARG 73 15.615 -1.904 5.488 608 2HH1 ARG 73 HH11 ARG 73 16.594 -1.772 6.911 609 1HH2 ARG 73 HH21 ARG 73 18.738 -4.391 6.031 610 2HH2 ARG 73 HH22 ARG 73 18.370 -3.186 7.220 611 H CYS 74 HN CYS 74 11.466 -2.390 2.317 612 HA CYS 74 HA CYS 74 12.985 -1.785 -0.080 613 1HB CYS 74 HB2 CYS 74 11.071 -1.382 -1.493 614 2HB CYS 74 HB1 CYS 74 10.984 -3.033 -0.889 615 HG CYS 74 HG CYS 74 9.316 -1.132 0.780 616 H ARG 75 HN ARG 75 12.716 0.442 -0.792 617 HA ARG 75 HA ARG 75 12.255 2.202 1.486 618 1HB ARG 75 HB1 ARG 75 14.302 2.213 -0.161 619 2HB ARG 75 HB2 ARG 75 13.224 3.154 -1.184 620 1HG ARG 75 HG2 ARG 75 13.320 4.092 1.576 621 2HG ARG 75 HG1 ARG 75 14.876 4.160 0.744 622 1HD ARG 75 HD1 ARG 75 13.341 5.177 -1.180 623 2HD ARG 75 HD2 ARG 75 12.363 5.640 0.213 624 HE ARG 75 HE ARG 75 13.883 7.280 0.613 625 1HH1 ARG 75 HH22 ARG 75 15.487 4.708 -1.103 626 2HH1 ARG 75 HH21 ARG 75 17.006 5.536 -1.186 627 1HH2 ARG 75 HH11 ARG 75 15.879 8.379 0.509 628 2HH2 ARG 75 HH12 ARG 75 17.229 7.623 -0.270 629 H TRP 76 HN TRP 76 10.628 3.650 1.628 630 HA TRP 76 HA TRP 76 8.682 3.683 -0.574 631 1HB TRP 76 HB1 TRP 76 8.376 4.245 2.378 632 2HB TRP 76 HB2 TRP 76 7.108 4.557 1.200 633 HD1 TRP 76 HD1 TRP 76 9.307 1.479 2.125 634 HE1 TRP 76 HE1 TRP 76 7.783 -0.595 2.116 635 HE3 TRP 76 HE3 TRP 76 4.912 3.711 0.777 636 HZ2 TRP 76 HZ2 TRP 76 5.072 -1.203 1.605 637 HZ3 TRP 76 HZ3 TRP 76 2.900 2.315 0.549 638 HH2 TRP 76 HH2 TRP 76 2.979 -0.089 0.954 639 H LYS 77 HN LYS 77 7.773 5.614 -1.293 640 HA LYS 77 HA LYS 77 8.831 8.126 -0.280 641 1HB LYS 77 HB1 LYS 77 9.272 8.713 -2.817 642 2HB LYS 77 HB2 LYS 77 10.510 7.954 -1.830 643 1HG LYS 77 HG1 LYS 77 9.546 5.736 -2.743 644 2HG LYS 77 HG2 LYS 77 8.816 6.759 -3.982 645 1HD LYS 77 HD1 LYS 77 11.068 7.667 -4.492 646 2HD LYS 77 HD2 LYS 77 11.753 6.523 -3.334 647 1HE LYS 77 HE1 LYS 77 11.613 4.814 -4.770 648 2HE LYS 77 HE2 LYS 77 9.990 5.269 -5.288 649 1HZ LYS 77 HZ1 LYS 77 11.588 7.194 -6.361 650 2HZ LYS 77 HZ2 LYS 77 10.951 5.863 -7.188 651 3HZ LYS 77 HZ3 LYS 77 12.510 5.789 -6.539 652 H VAL 78 HN VAL 78 7.202 9.506 -0.139 653 HA VAL 78 HA VAL 78 4.829 9.064 -1.807 654 HB VAL 78 HB VAL 78 5.099 10.686 0.727 655 1HG1 VAL 78 HG11 VAL 78 2.856 11.163 0.627 656 2HG1 VAL 78 HG12 VAL 78 2.495 9.774 -0.399 657 3HG1 VAL 78 HG13 VAL 78 3.270 11.201 -1.087 658 1HG2 VAL 78 HG21 VAL 78 5.253 8.035 0.661 659 2HG2 VAL 78 HG22 VAL 78 3.497 8.198 0.610 660 3HG2 VAL 78 HG23 VAL 78 4.410 8.899 1.946 661 H LEU 79 HN LEU 79 4.327 10.439 -3.375 662 HA LEU 79 HA LEU 79 5.906 12.868 -3.688 663 1HB LEU 79 HB2 LEU 79 3.911 11.558 -5.541 664 2HB LEU 79 HB1 LEU 79 4.890 12.957 -5.936 665 HG LEU 79 HG LEU 79 6.930 11.556 -5.658 666 1HD1 LEU 79 HD21 LEU 79 4.874 9.424 -5.172 667 2HD1 LEU 79 HD22 LEU 79 6.297 9.828 -4.211 668 3HD1 LEU 79 HD23 LEU 79 6.487 9.047 -5.778 669 1HD2 LEU 79 HD11 LEU 79 5.338 11.815 -7.806 670 2HD2 LEU 79 HD12 LEU 79 5.330 10.060 -7.629 671 3HD2 LEU 79 HD13 LEU 79 6.858 10.920 -7.820 672 H GLU 80 HN GLU 80 2.618 11.838 -3.110 673 HA GLU 80 HA GLU 80 1.889 14.612 -2.504 674 1HB GLU 80 HB2 GLU 80 0.405 12.711 -4.306 675 2HB GLU 80 HB1 GLU 80 -0.433 14.008 -3.464 676 1HG GLU 80 HG2 GLU 80 1.983 14.746 -5.000 677 2HG GLU 80 HG1 GLU 80 0.554 14.273 -5.918 678 HA PRO 81 HA PRO 81 0.409 13.314 1.449 679 1HB PRO 81 HB2 PRO 81 -2.171 14.440 0.387 680 2HB PRO 81 HB1 PRO 81 -1.461 14.607 2.000 681 1HG PRO 81 HG2 PRO 81 -1.179 16.561 0.225 682 2HG PRO 81 HG1 PRO 81 0.177 16.097 1.263 683 1HD PRO 81 HD1 PRO 81 -0.235 15.613 -1.636 684 2HD PRO 81 HD2 PRO 81 1.277 15.766 -0.719 685 H VAL 82 HN VAL 82 0.131 11.226 1.799 686 HA VAL 82 HA VAL 82 -1.670 9.730 0.065 687 HB VAL 82 HB VAL 82 0.950 9.296 0.861 688 1HG1 VAL 82 HG21 VAL 82 1.135 7.366 2.151 689 2HG1 VAL 82 HG22 VAL 82 -0.587 7.002 2.026 690 3HG1 VAL 82 HG23 VAL 82 -0.041 8.353 3.019 691 1HG2 VAL 82 HG11 VAL 82 0.547 8.391 -1.139 692 2HG2 VAL 82 HG12 VAL 82 -1.097 7.912 -0.713 693 3HG2 VAL 82 HG13 VAL 82 0.270 6.918 -0.208 694 H ARG 83 HN ARG 83 -3.365 8.594 0.734 695 HA ARG 83 HA ARG 83 -3.829 8.210 3.597 696 1HB ARG 83 HB2 ARG 83 -5.357 9.950 1.850 697 2HB ARG 83 HB1 ARG 83 -6.368 8.672 2.511 698 1HG ARG 83 HG1 ARG 83 -4.678 9.854 4.539 699 2HG ARG 83 HG2 ARG 83 -5.692 11.056 3.739 700 1HD ARG 83 HD2 ARG 83 -6.913 8.482 4.612 701 2HD ARG 83 HD1 ARG 83 -6.570 9.718 5.821 702 HE ARG 83 HE ARG 83 -8.614 9.788 3.794 703 1HH1 ARG 83 HH12 ARG 83 -6.636 11.669 5.955 704 2HH1 ARG 83 HH11 ARG 83 -7.727 13.015 5.990 705 1HH2 ARG 83 HH21 ARG 83 -10.058 11.552 3.832 706 2HH2 ARG 83 HH22 ARG 83 -9.673 12.948 4.783 707 H LYS 84 HN LYS 84 -3.860 6.043 3.777 708 HA LYS 84 HA LYS 84 -5.412 4.543 1.784 709 1HB LYS 84 HB2 LYS 84 -3.737 2.968 1.470 710 2HB LYS 84 HB1 LYS 84 -2.828 4.466 1.582 711 1HG LYS 84 HG1 LYS 84 -2.800 3.712 4.164 712 2HG LYS 84 HG2 LYS 84 -2.881 2.132 3.377 713 1HD LYS 84 HD1 LYS 84 -0.818 4.287 2.929 714 2HD LYS 84 HD2 LYS 84 -0.571 2.723 3.710 715 1HE LYS 84 HE2 LYS 84 -1.369 1.718 1.484 716 2HE LYS 84 HE1 LYS 84 -1.073 3.323 0.815 717 1HZ LYS 84 HZ1 LYS 84 1.049 2.056 2.390 718 2HZ LYS 84 HZ2 LYS 84 1.168 3.126 1.084 719 3HZ LYS 84 HZ3 LYS 84 0.782 1.501 0.815 720 H HIS 85 HN HIS 85 -6.171 2.461 2.451 721 HA HIS 85 HA HIS 85 -6.807 2.378 5.312 722 1HB HIS 85 HB1 HIS 85 -8.052 0.886 2.987 723 2HB HIS 85 HB2 HIS 85 -8.577 0.779 4.664 724 HD1 HIS 85 HD1 HIS 85 -10.764 1.950 4.745 725 HD2 HIS 85 HD2 HIS 85 -7.944 4.053 2.537 726 HE1 HIS 85 HE1 HIS 85 -11.876 4.120 4.126 727 HE2 HIS 85 HE2 HIS 85 -10.152 5.378 2.789 728 H TYR 86 HN TYR 86 -6.813 0.156 6.308 729 HA TYR 86 HA TYR 86 -4.463 -1.307 5.305 730 1HB TYR 86 HB2 TYR 86 -5.391 -0.720 8.106 731 2HB TYR 86 HB1 TYR 86 -4.173 -1.941 7.758 732 HD1 TYR 86 HD1 TYR 86 -4.167 0.866 9.300 733 HD2 TYR 86 HD2 TYR 86 -2.698 -0.540 5.566 734 HE1 TYR 86 HE1 TYR 86 -2.433 2.601 9.337 735 HE2 TYR 86 HE2 TYR 86 -0.960 1.190 5.591 736 HH TYR 86 HH TYR 86 0.252 2.561 7.469 737 H ASN 87 HN ASN 87 -4.250 -3.523 5.918 738 HA ASN 87 HA ASN 87 -6.562 -5.019 6.743 739 1HB ASN 87 HB2 ASN 87 -6.333 -4.526 4.014 740 2HB ASN 87 HB1 ASN 87 -5.647 -6.135 4.209 741 1HD2 ASN 87 HD22 ASN 87 -7.073 -7.654 3.847 742 2HD2 ASN 87 HD21 ASN 87 -8.748 -7.608 4.268 743 H LEU 88 HN LEU 88 -4.339 -4.879 8.108 744 HA LEU 88 HA LEU 88 -2.430 -6.897 7.301 745 1HB LEU 88 HB1 LEU 88 -2.356 -5.752 10.037 746 2HB LEU 88 HB2 LEU 88 -1.045 -6.075 8.918 747 HG LEU 88 HG LEU 88 -2.944 -3.722 8.797 748 1HD1 LEU 88 HD21 LEU 88 -0.086 -4.041 9.661 749 2HD1 LEU 88 HD22 LEU 88 -1.434 -3.331 10.549 750 3HD1 LEU 88 HD23 LEU 88 -0.753 -2.487 9.158 751 1HD2 LEU 88 HD11 LEU 88 -0.563 -3.617 7.149 752 2HD2 LEU 88 HD12 LEU 88 -2.242 -3.277 6.735 753 3HD2 LEU 88 HD13 LEU 88 -1.640 -4.935 6.688 754 H PHE 89 HN PHE 89 -2.012 -8.827 8.360 755 HA PHE 89 HA PHE 89 -4.208 -9.793 10.071 756 1HB PHE 89 HB2 PHE 89 -2.407 -11.624 8.516 757 2HB PHE 89 HB1 PHE 89 -4.054 -11.900 9.076 758 HD1 PHE 89 HD1 PHE 89 -5.371 -9.437 8.080 759 HD2 PHE 89 HD2 PHE 89 -2.545 -12.023 6.226 760 HE1 PHE 89 HE1 PHE 89 -6.230 -8.784 5.869 761 HE2 PHE 89 HE2 PHE 89 -3.399 -11.374 4.012 762 HZ PHE 89 HZ PHE 89 -5.244 -9.752 3.832 Start of MODEL 3 1 1H MET 1 HT1 MET 1 7.652 -14.554 -4.448 2 2H MET 1 HT2 MET 1 7.432 -14.179 -2.789 3 3H MET 1 HT3 MET 1 8.902 -13.770 -3.573 4 HA MET 1 HA MET 1 7.322 -11.926 -3.186 5 1HB MET 1 HB2 MET 1 9.113 -12.506 -5.201 6 2HB MET 1 HB1 MET 1 7.675 -12.029 -6.094 7 1HG MET 1 HG1 MET 1 9.079 -10.116 -5.751 8 2HG MET 1 HG2 MET 1 7.602 -9.934 -4.808 9 1HE MET 1 HE1 MET 1 10.475 -12.399 -3.669 10 2HE MET 1 HE2 MET 1 11.604 -11.258 -2.938 11 3HE MET 1 HE3 MET 1 11.285 -11.195 -4.672 12 H GLU 2 HN GLU 2 5.504 -10.781 -4.115 13 HA GLU 2 HA GLU 2 3.701 -11.948 -5.934 14 1HB GLU 2 HB1 GLU 2 1.861 -12.287 -4.111 15 2HB GLU 2 HB2 GLU 2 3.020 -13.570 -4.430 16 1HG GLU 2 HG2 GLU 2 4.375 -12.706 -2.519 17 2HG GLU 2 HG1 GLU 2 3.042 -11.613 -2.150 18 H VAL 3 HN VAL 3 4.829 -9.399 -5.503 19 HA VAL 3 HA VAL 3 2.840 -7.683 -4.320 20 HB VAL 3 HB VAL 3 4.926 -6.623 -6.179 21 1HG1 VAL 3 HG21 VAL 3 4.999 -4.910 -4.269 22 2HG1 VAL 3 HG22 VAL 3 3.520 -5.689 -3.705 23 3HG1 VAL 3 HG23 VAL 3 3.570 -4.944 -5.303 24 1HG2 VAL 3 HG11 VAL 3 6.169 -6.607 -3.720 25 2HG2 VAL 3 HG12 VAL 3 6.566 -7.664 -5.075 26 3HG2 VAL 3 HG13 VAL 3 5.470 -8.224 -3.811 27 H LYS 4 HN LYS 4 1.062 -6.940 -5.284 28 HA LYS 4 HA LYS 4 0.996 -6.884 -8.224 29 1HB LYS 4 HB1 LYS 4 -1.130 -7.898 -8.293 30 2HB LYS 4 HB2 LYS 4 -0.203 -8.864 -7.159 31 1HG LYS 4 HG2 LYS 4 -1.589 -6.771 -5.763 32 2HG LYS 4 HG1 LYS 4 -2.711 -7.695 -6.763 33 1HD LYS 4 HD1 LYS 4 -1.636 -9.772 -5.760 34 2HD LYS 4 HD2 LYS 4 -0.895 -8.681 -4.588 35 1HE LYS 4 HE2 LYS 4 -2.875 -9.509 -3.582 36 2HE LYS 4 HE1 LYS 4 -3.203 -7.844 -4.060 37 1HZ LYS 4 HZ1 LYS 4 -4.027 -10.272 -5.559 38 2HZ LYS 4 HZ2 LYS 4 -4.327 -8.677 -6.036 39 3HZ LYS 4 HZ3 LYS 4 -5.042 -9.290 -4.630 40 H ILE 5 HN ILE 5 -0.436 -5.391 -9.185 41 HA ILE 5 HA ILE 5 -1.307 -3.210 -7.400 42 HB ILE 5 HB ILE 5 -0.553 -2.864 -10.297 43 1HG1 ILE 5 HG11 ILE 5 1.469 -3.537 -9.209 44 2HG1 ILE 5 HG12 ILE 5 1.531 -1.786 -9.380 45 1HG2 ILE 5 HG21 ILE 5 -0.243 -0.512 -8.770 46 2HG2 ILE 5 HG22 ILE 5 -1.807 -1.208 -8.346 47 3HG2 ILE 5 HG23 ILE 5 -1.430 -0.847 -10.030 48 1HD1 ILE 5 HD11 ILE 5 1.203 -1.428 -7.114 49 2HD1 ILE 5 HD12 ILE 5 2.279 -2.822 -7.167 50 3HD1 ILE 5 HD13 ILE 5 0.559 -3.048 -6.854 51 H GLU 6 HN GLU 6 -3.453 -3.099 -7.285 52 HA GLU 6 HA GLU 6 -5.033 -3.497 -9.715 53 1HB GLU 6 HB2 GLU 6 -4.910 -5.355 -7.471 54 2HB GLU 6 HB1 GLU 6 -6.549 -4.815 -7.808 55 1HG GLU 6 HG2 GLU 6 -6.691 -6.153 -9.561 56 2HG GLU 6 HG1 GLU 6 -5.217 -5.477 -10.256 57 H LYS 7 HN LYS 7 -7.144 -2.634 -9.643 58 HA LYS 7 HA LYS 7 -7.528 -0.647 -7.506 59 1HB LYS 7 HB1 LYS 7 -8.338 -0.619 -10.409 60 2HB LYS 7 HB2 LYS 7 -9.002 0.505 -9.231 61 1HG LYS 7 HG1 LYS 7 -7.142 1.756 -9.185 62 2HG LYS 7 HG2 LYS 7 -6.072 0.355 -9.267 63 1HD LYS 7 HD2 LYS 7 -6.222 0.233 -11.600 64 2HD LYS 7 HD1 LYS 7 -7.659 1.259 -11.649 65 1HE LYS 7 HE1 LYS 7 -6.109 3.069 -10.647 66 2HE LYS 7 HE2 LYS 7 -4.798 2.031 -11.208 67 1HZ LYS 7 HZ1 LYS 7 -6.784 2.447 -13.221 68 2HZ LYS 7 HZ2 LYS 7 -5.111 2.688 -13.293 69 3HZ LYS 7 HZ3 LYS 7 -6.115 3.907 -12.689 70 HA PRO 8 HA PRO 8 -10.756 -3.736 -6.553 71 1HB PRO 8 HB1 PRO 8 -11.569 -2.182 -4.336 72 2HB PRO 8 HB2 PRO 8 -10.537 -3.611 -4.313 73 1HG PRO 8 HG2 PRO 8 -9.801 -0.733 -4.256 74 2HG PRO 8 HG1 PRO 8 -8.957 -2.117 -3.534 75 1HD PRO 8 HD2 PRO 8 -8.030 -0.905 -5.723 76 2HD PRO 8 HD1 PRO 8 -7.900 -2.660 -5.515 77 H THR 9 HN THR 9 -12.649 -3.743 -7.510 78 HA THR 9 HA THR 9 -13.971 -1.234 -8.177 79 HB THR 9 HB THR 9 -13.958 -2.606 -10.055 80 HG1 THR 9 HG1 THR 9 -16.070 -3.127 -10.399 81 1HG2 THR 9 HG21 THR 9 -14.824 -5.025 -9.899 82 2HG2 THR 9 HG22 THR 9 -14.403 -4.892 -8.192 83 3HG2 THR 9 HG23 THR 9 -13.162 -4.674 -9.425 84 HA PRO 10 HA PRO 10 -17.202 -1.028 -5.203 85 1HB PRO 10 HB1 PRO 10 -19.368 -1.495 -7.018 86 2HB PRO 10 HB2 PRO 10 -18.817 0.046 -6.359 87 1HG PRO 10 HG2 PRO 10 -18.213 -1.214 -8.969 88 2HG PRO 10 HG1 PRO 10 -18.238 0.503 -8.524 89 1HD PRO 10 HD2 PRO 10 -15.932 -0.785 -8.959 90 2HD PRO 10 HD1 PRO 10 -16.072 0.442 -7.681 91 H GLU 11 HN GLU 11 -17.203 -3.664 -7.532 92 HA GLU 11 HA GLU 11 -18.977 -5.338 -6.043 93 1HB GLU 11 HB1 GLU 11 -17.047 -5.912 -8.294 94 2HB GLU 11 HB2 GLU 11 -18.104 -7.130 -7.593 95 1HG GLU 11 HG1 GLU 11 -20.024 -6.126 -8.425 96 2HG GLU 11 HG2 GLU 11 -19.221 -4.575 -8.672 97 H LYS 12 HN LYS 12 -15.447 -5.168 -6.419 98 HA LYS 12 HA LYS 12 -14.986 -7.347 -4.604 99 1HB LYS 12 HB2 LYS 12 -13.297 -5.435 -6.138 100 2HB LYS 12 HB1 LYS 12 -12.584 -6.188 -4.719 101 1HG LYS 12 HG2 LYS 12 -12.538 -8.254 -5.663 102 2HG LYS 12 HG1 LYS 12 -13.966 -7.953 -6.656 103 1HD LYS 12 HD1 LYS 12 -12.019 -8.113 -8.074 104 2HD LYS 12 HD2 LYS 12 -12.617 -6.453 -8.082 105 1HE LYS 12 HE1 LYS 12 -10.588 -5.767 -7.500 106 2HE LYS 12 HE2 LYS 12 -10.783 -6.611 -5.964 107 1HZ LYS 12 HZ1 LYS 12 -9.981 -8.224 -8.253 108 2HZ LYS 12 HZ2 LYS 12 -9.495 -8.322 -6.636 109 3HZ LYS 12 HZ3 LYS 12 -8.826 -7.145 -7.649 110 H LEU 13 HN LEU 13 -15.270 -3.896 -4.438 111 HA LEU 13 HA LEU 13 -14.036 -3.390 -1.990 112 1HB LEU 13 HB1 LEU 13 -16.360 -2.038 -3.347 113 2HB LEU 13 HB2 LEU 13 -15.596 -1.417 -1.897 114 HG LEU 13 HG LEU 13 -14.096 -1.900 -4.468 115 1HD1 LEU 13 HD11 LEU 13 -15.125 -0.124 -5.320 116 2HD1 LEU 13 HD12 LEU 13 -14.344 0.841 -4.069 117 3HD1 LEU 13 HD13 LEU 13 -15.964 0.197 -3.802 118 1HD2 LEU 13 HD21 LEU 13 -13.467 -0.458 -1.905 119 2HD2 LEU 13 HD22 LEU 13 -12.538 -0.239 -3.388 120 3HD2 LEU 13 HD23 LEU 13 -12.617 -1.826 -2.622 121 H LYS 14 HN LYS 14 -17.195 -4.697 -2.737 122 HA LYS 14 HA LYS 14 -18.445 -4.294 -0.278 123 1HB LYS 14 HB1 LYS 14 -18.935 -5.824 -2.668 124 2HB LYS 14 HB2 LYS 14 -19.362 -6.768 -1.247 125 1HG LYS 14 HG1 LYS 14 -21.032 -5.330 -0.620 126 2HG LYS 14 HG2 LYS 14 -20.294 -3.948 -1.432 127 1HD LYS 14 HD2 LYS 14 -20.934 -4.808 -3.587 128 2HD LYS 14 HD1 LYS 14 -21.540 -6.296 -2.855 129 1HE LYS 14 HE1 LYS 14 -23.278 -5.080 -1.710 130 2HE LYS 14 HE2 LYS 14 -22.626 -3.544 -2.279 131 1HZ LYS 14 HZ1 LYS 14 -24.148 -3.805 -3.884 132 2HZ LYS 14 HZ2 LYS 14 -24.273 -5.478 -3.667 133 3HZ LYS 14 HZ3 LYS 14 -23.005 -4.837 -4.584 134 H GLU 15 HN GLU 15 -16.566 -7.118 -1.386 135 HA GLU 15 HA GLU 15 -16.791 -8.448 1.144 136 1HB GLU 15 HB1 GLU 15 -15.440 -8.965 -1.443 137 2HB GLU 15 HB2 GLU 15 -14.731 -9.730 -0.028 138 1HG GLU 15 HG2 GLU 15 -17.661 -9.960 -0.555 139 2HG GLU 15 HG1 GLU 15 -16.514 -10.993 -1.406 140 H LEU 16 HN LEU 16 -14.283 -6.575 -0.479 141 HA LEU 16 HA LEU 16 -12.509 -6.802 1.814 142 1HB LEU 16 HB1 LEU 16 -10.845 -5.737 0.464 143 2HB LEU 16 HB2 LEU 16 -11.609 -7.005 -0.476 144 HG LEU 16 HG LEU 16 -13.104 -4.853 -1.195 145 1HD1 LEU 16 HD11 LEU 16 -10.657 -3.486 -1.659 146 2HD1 LEU 16 HD12 LEU 16 -10.829 -3.766 0.074 147 3HD1 LEU 16 HD13 LEU 16 -12.098 -2.920 -0.812 148 1HD2 LEU 16 HD21 LEU 16 -11.790 -4.865 -3.266 149 2HD2 LEU 16 HD22 LEU 16 -12.147 -6.497 -2.702 150 3HD2 LEU 16 HD23 LEU 16 -10.541 -5.811 -2.456 151 H SER 17 HN SER 17 -15.117 -5.198 1.702 152 HA SER 17 HA SER 17 -15.198 -2.599 1.586 153 1HB SER 17 HB2 SER 17 -15.915 -4.152 4.076 154 2HB SER 17 HB1 SER 17 -16.451 -2.507 3.743 155 HG SER 17 HG SER 17 -17.762 -4.540 3.081 156 H VAL 18 HN VAL 18 -13.235 -1.586 1.554 157 HA VAL 18 HA VAL 18 -11.383 -1.549 3.671 158 HB VAL 18 HB VAL 18 -11.828 0.518 1.524 159 1HG1 VAL 18 HG11 VAL 18 -10.149 0.552 3.787 160 2HG1 VAL 18 HG12 VAL 18 -10.191 1.690 2.440 161 3HG1 VAL 18 HG13 VAL 18 -9.119 0.290 2.379 162 1HG2 VAL 18 HG21 VAL 18 -10.637 -0.738 0.078 163 2HG2 VAL 18 HG22 VAL 18 -11.203 -2.064 1.094 164 3HG2 VAL 18 HG23 VAL 18 -9.591 -1.390 1.340 165 H GLU 19 HN GLU 19 -14.304 0.137 3.072 166 HA GLU 19 HA GLU 19 -14.189 2.471 4.451 167 1HB GLU 19 HB1 GLU 19 -16.595 1.963 5.086 168 2HB GLU 19 HB2 GLU 19 -16.212 1.816 3.373 169 1HG GLU 19 HG2 GLU 19 -15.947 -0.632 3.693 170 2HG GLU 19 HG1 GLU 19 -16.463 -0.425 5.362 171 H LYS 20 HN LYS 20 -14.333 -0.767 5.803 172 HA LYS 20 HA LYS 20 -14.681 0.184 8.510 173 1HB LYS 20 HB1 LYS 20 -13.898 -2.633 8.131 174 2HB LYS 20 HB2 LYS 20 -15.230 -1.949 9.048 175 1HG LYS 20 HG2 LYS 20 -16.441 -1.608 6.890 176 2HG LYS 20 HG1 LYS 20 -15.146 -2.497 6.092 177 1HD LYS 20 HD1 LYS 20 -15.975 -4.458 6.731 178 2HD LYS 20 HD2 LYS 20 -16.154 -3.917 8.403 179 1HE LYS 20 HE2 LYS 20 -18.134 -2.571 6.962 180 2HE LYS 20 HE1 LYS 20 -18.150 -4.223 6.348 181 1HZ LYS 20 HZ1 LYS 20 -19.400 -4.658 8.123 182 2HZ LYS 20 HZ2 LYS 20 -18.991 -3.212 8.899 183 3HZ LYS 20 HZ3 LYS 20 -17.976 -4.558 9.029 184 H TRP 21 HN TRP 21 -12.030 -0.041 6.507 185 HA TRP 21 HA TRP 21 -10.165 -0.914 8.556 186 1HB TRP 21 HB2 TRP 21 -9.497 0.140 5.806 187 2HB TRP 21 HB1 TRP 21 -8.499 -0.867 6.846 188 HD1 TRP 21 HD1 TRP 21 -11.789 -2.412 7.008 189 HE1 TRP 21 HE1 TRP 21 -12.039 -4.315 5.309 190 HE3 TRP 21 HE3 TRP 21 -7.721 -1.416 4.062 191 HZ2 TRP 21 HZ2 TRP 21 -10.685 -5.291 3.034 192 HZ3 TRP 21 HZ3 TRP 21 -7.272 -2.892 2.145 193 HH2 TRP 21 HH2 TRP 21 -8.724 -4.789 1.643 194 HA PRO 22 HA PRO 22 -9.111 3.057 10.204 195 1HB PRO 22 HB2 PRO 22 -6.329 2.695 10.228 196 2HB PRO 22 HB1 PRO 22 -7.436 2.310 11.542 197 1HG PRO 22 HG2 PRO 22 -6.227 0.535 9.503 198 2HG PRO 22 HG1 PRO 22 -6.659 0.182 11.179 199 1HD PRO 22 HD1 PRO 22 -8.130 -0.715 9.111 200 2HD PRO 22 HD2 PRO 22 -8.877 -0.232 10.648 201 H ILE 23 HN ILE 23 -7.093 4.694 9.755 202 HA ILE 23 HA ILE 23 -6.672 4.858 6.863 203 HB ILE 23 HB ILE 23 -7.450 7.346 8.346 204 1HG1 ILE 23 HG11 ILE 23 -9.277 5.700 8.687 205 2HG1 ILE 23 HG12 ILE 23 -9.771 7.055 7.677 206 1HG2 ILE 23 HG21 ILE 23 -8.372 7.308 5.691 207 2HG2 ILE 23 HG22 ILE 23 -6.739 6.643 5.668 208 3HG2 ILE 23 HG23 ILE 23 -7.032 8.237 6.361 209 1HD1 ILE 23 HD11 ILE 23 -10.084 4.370 7.116 210 2HD1 ILE 23 HD12 ILE 23 -8.736 4.873 6.096 211 3HD1 ILE 23 HD13 ILE 23 -10.282 5.714 5.991 212 H TRP 24 HN TRP 24 -4.867 6.046 6.212 213 HA TRP 24 HA TRP 24 -3.044 6.860 8.381 214 1HB TRP 24 HB1 TRP 24 -2.565 4.710 6.861 215 2HB TRP 24 HB2 TRP 24 -1.914 5.942 5.783 216 HD1 TRP 24 HD1 TRP 24 -1.569 5.343 9.615 217 HE1 TRP 24 HE1 TRP 24 0.926 5.526 10.215 218 HE3 TRP 24 HE3 TRP 24 0.322 6.262 4.954 219 HZ2 TRP 24 HZ2 TRP 24 3.373 5.996 8.888 220 HZ3 TRP 24 HZ3 TRP 24 2.751 6.567 4.707 221 HH2 TRP 24 HH2 TRP 24 4.245 6.436 6.634 222 H GLU 25 HN GLU 25 -1.334 8.424 7.605 223 HA GLU 25 HA GLU 25 -2.101 10.043 5.317 224 1HB GLU 25 HB1 GLU 25 -1.790 11.526 7.893 225 2HB GLU 25 HB2 GLU 25 -2.660 11.987 6.437 226 1HG GLU 25 HG1 GLU 25 -4.358 10.246 6.989 227 2HG GLU 25 HG2 GLU 25 -3.520 9.993 8.518 228 H LYS 26 HN LYS 26 -0.375 10.910 4.342 229 HA LYS 26 HA LYS 26 1.976 11.657 5.819 230 1HB LYS 26 HB2 LYS 26 2.147 9.139 5.349 231 2HB LYS 26 HB1 LYS 26 2.366 9.595 3.665 232 1HG LYS 26 HG2 LYS 26 4.477 9.184 4.932 233 2HG LYS 26 HG1 LYS 26 4.372 10.764 4.152 234 1HD LYS 26 HD2 LYS 26 3.320 10.772 6.869 235 2HD LYS 26 HD1 LYS 26 5.013 10.297 6.792 236 1HE LYS 26 HE2 LYS 26 5.669 12.374 6.376 237 2HE LYS 26 HE1 LYS 26 4.497 12.551 5.069 238 1HZ LYS 26 HZ1 LYS 26 4.285 13.313 7.884 239 2HZ LYS 26 HZ2 LYS 26 2.873 12.784 7.116 240 3HZ LYS 26 HZ3 LYS 26 3.723 14.112 6.503 241 H GLU 27 HN GLU 27 2.762 13.442 4.947 242 HA GLU 27 HA GLU 27 1.897 14.182 2.264 243 1HB GLU 27 HB1 GLU 27 3.485 15.995 4.040 244 2HB GLU 27 HB2 GLU 27 2.246 16.400 2.861 245 1HG GLU 27 HG1 GLU 27 0.579 15.324 4.406 246 2HG GLU 27 HG2 GLU 27 1.867 15.241 5.606 247 H VAL 28 HN VAL 28 3.137 13.628 0.645 248 HA VAL 28 HA VAL 28 5.051 12.818 -0.439 249 HB VAL 28 HB VAL 28 5.819 15.681 0.092 250 1HG1 VAL 28 HG11 VAL 28 7.184 15.542 -1.695 251 2HG1 VAL 28 HG12 VAL 28 6.094 14.475 -2.579 252 3HG1 VAL 28 HG13 VAL 28 7.154 13.816 -1.336 253 1HG2 VAL 28 HG21 VAL 28 3.689 16.081 -0.574 254 2HG2 VAL 28 HG22 VAL 28 3.539 14.530 -1.400 255 3HG2 VAL 28 HG23 VAL 28 4.410 15.858 -2.168 256 H SER 29 HN SER 29 5.503 11.995 2.187 257 HA SER 29 HA SER 29 8.181 12.905 2.890 258 1HB SER 29 HB2 SER 29 6.635 12.636 4.728 259 2HB SER 29 HB1 SER 29 6.297 10.972 4.256 260 HG SER 29 HG SER 29 8.227 11.873 5.844 261 H GLU 30 HN GLU 30 9.490 10.846 3.854 262 HA GLU 30 HA GLU 30 9.522 8.731 1.821 263 1HB GLU 30 HB2 GLU 30 12.031 10.054 2.871 264 2HB GLU 30 HB1 GLU 30 11.924 8.816 1.628 265 1HG GLU 30 HG2 GLU 30 10.529 10.536 0.327 266 2HG GLU 30 HG1 GLU 30 11.185 11.710 1.467 267 H PHE 31 HN PHE 31 9.545 6.765 2.737 268 HA PHE 31 HA PHE 31 10.392 6.585 5.552 269 1HB PHE 31 HB1 PHE 31 7.974 5.507 4.147 270 2HB PHE 31 HB2 PHE 31 8.585 4.703 5.590 271 HD1 PHE 31 HD1 PHE 31 7.494 5.243 7.517 272 HD2 PHE 31 HD2 PHE 31 7.931 8.215 4.505 273 HE1 PHE 31 HE1 PHE 31 6.278 6.847 8.930 274 HE2 PHE 31 HE2 PHE 31 6.717 9.826 5.912 275 HZ PHE 31 HZ PHE 31 5.843 9.129 8.099 276 H ASP 32 HN ASP 32 11.330 4.700 6.277 277 HA ASP 32 HA ASP 32 12.431 2.933 4.204 278 1HB ASP 32 HB2 ASP 32 13.928 2.126 6.050 279 2HB ASP 32 HB1 ASP 32 14.127 3.836 5.677 280 H TRP 33 HN TRP 33 11.357 1.068 3.879 281 HA TRP 33 HA TRP 33 9.628 0.129 6.062 282 1HB TRP 33 HB1 TRP 33 8.750 0.937 3.724 283 2HB TRP 33 HB2 TRP 33 9.211 -0.684 3.214 284 HD1 TRP 33 HD1 TRP 33 7.639 0.078 6.643 285 HE1 TRP 33 HE1 TRP 33 5.370 -1.129 6.776 286 HE3 TRP 33 HE3 TRP 33 7.369 -1.666 1.849 287 HZ2 TRP 33 HZ2 TRP 33 3.687 -2.624 5.069 288 HZ3 TRP 33 HZ3 TRP 33 5.399 -2.975 1.177 289 HH2 TRP 33 HH2 TRP 33 3.597 -3.445 2.755 290 H TYR 34 HN TYR 34 9.690 -1.858 6.807 291 HA TYR 34 HA TYR 34 11.220 -3.914 5.387 292 1HB TYR 34 HB2 TYR 34 12.764 -3.204 7.067 293 2HB TYR 34 HB1 TYR 34 11.504 -3.136 8.293 294 HD1 TYR 34 HD1 TYR 34 12.030 -5.897 5.886 295 HD2 TYR 34 HD2 TYR 34 12.439 -4.583 9.913 296 HE1 TYR 34 HE1 TYR 34 12.581 -8.194 6.573 297 HE2 TYR 34 HE2 TYR 34 12.991 -6.877 10.610 298 HH TYR 34 HH TYR 34 14.051 -8.999 9.281 299 H TYR 35 HN TYR 35 9.769 -5.437 4.917 300 HA TYR 35 HA TYR 35 7.317 -5.668 6.371 301 1HB TYR 35 HB2 TYR 35 8.044 -6.159 3.808 302 2HB TYR 35 HB1 TYR 35 8.024 -7.797 4.451 303 HD1 TYR 35 HD1 TYR 35 5.910 -4.714 4.487 304 HD2 TYR 35 HD2 TYR 35 6.047 -8.960 4.316 305 HE1 TYR 35 HE1 TYR 35 3.467 -4.778 4.217 306 HE2 TYR 35 HE2 TYR 35 3.606 -9.034 4.049 307 HH TYR 35 HH TYR 35 1.806 -6.804 3.037 308 H ASP 36 HN ASP 36 6.609 -7.244 7.713 309 HA ASP 36 HA ASP 36 8.200 -9.620 8.192 310 1HB ASP 36 HB1 ASP 36 9.135 -7.781 9.672 311 2HB ASP 36 HB2 ASP 36 7.588 -7.787 10.513 312 H THR 37 HN THR 37 5.409 -8.708 7.350 313 HA THR 37 HA THR 37 3.983 -10.825 8.600 314 HB THR 37 HB THR 37 3.138 -8.006 9.310 315 HG1 THR 37 HG1 THR 37 3.920 -10.112 11.031 316 1HG2 THR 37 HG21 THR 37 1.771 -9.958 10.827 317 2HG2 THR 37 HG22 THR 37 1.564 -10.344 9.118 318 3HG2 THR 37 HG23 THR 37 1.111 -8.751 9.723 319 H ASN 38 HN ASN 38 2.450 -11.528 7.231 320 HA ASN 38 HA ASN 38 2.107 -10.339 4.700 321 1HB ASN 38 HB1 ASN 38 1.116 -12.700 6.106 322 2HB ASN 38 HB2 ASN 38 -0.083 -12.008 5.019 323 1HD2 ASN 38 HD21 ASN 38 0.413 -11.833 2.797 324 2HD2 ASN 38 HD22 ASN 38 1.611 -12.846 2.073 325 H GLU 39 HN GLU 39 1.252 -8.347 4.567 326 HA GLU 39 HA GLU 39 -1.450 -7.981 5.652 327 1HB GLU 39 HB1 GLU 39 -0.915 -6.176 6.881 328 2HB GLU 39 HB2 GLU 39 0.731 -6.763 6.760 329 1HG GLU 39 HG2 GLU 39 0.758 -5.292 4.582 330 2HG GLU 39 HG1 GLU 39 -0.569 -4.464 5.397 331 H THR 40 HN THR 40 -2.632 -6.168 4.627 332 HA THR 40 HA THR 40 -1.767 -5.559 1.894 333 HB THR 40 HB THR 40 -4.463 -6.701 2.661 334 HG1 THR 40 HG1 THR 40 -3.058 -8.345 2.323 335 1HG2 THR 40 HG21 THR 40 -5.265 -6.376 0.520 336 2HG2 THR 40 HG22 THR 40 -3.664 -6.032 -0.136 337 3HG2 THR 40 HG23 THR 40 -4.470 -4.846 0.891 338 H CYS 41 HN CYS 41 -2.305 -3.495 1.229 339 HA CYS 41 HA CYS 41 -4.028 -1.944 3.045 340 1HB CYS 41 HB2 CYS 41 -1.738 -0.528 1.789 341 2HB CYS 41 HB1 CYS 41 -2.517 -0.258 3.344 342 HG CYS 41 HG CYS 41 -0.158 -1.185 3.813 343 H TYR 42 HN TYR 42 -5.068 -0.113 2.102 344 HA TYR 42 HA TYR 42 -5.205 -0.196 -0.839 345 1HB TYR 42 HB1 TYR 42 -7.231 -1.169 -0.179 346 2HB TYR 42 HB2 TYR 42 -7.393 -0.116 1.220 347 HD1 TYR 42 HD1 TYR 42 -8.374 2.077 1.026 348 HD2 TYR 42 HD2 TYR 42 -7.894 -0.392 -2.405 349 HE1 TYR 42 HE1 TYR 42 -9.891 3.543 -0.233 350 HE2 TYR 42 HE2 TYR 42 -9.411 1.071 -3.675 351 HH TYR 42 HH TYR 42 -10.149 3.531 -3.530 352 H ILE 43 HN ILE 43 -4.876 1.685 -1.849 353 HA ILE 43 HA ILE 43 -4.267 4.052 -0.358 354 HB ILE 43 HB ILE 43 -4.541 3.632 -3.336 355 1HG1 ILE 43 HG11 ILE 43 -2.724 2.389 -1.999 356 2HG1 ILE 43 HG12 ILE 43 -2.216 3.305 -3.413 357 1HG2 ILE 43 HG21 ILE 43 -3.083 5.752 -3.376 358 2HG2 ILE 43 HG22 ILE 43 -3.684 6.017 -1.739 359 3HG2 ILE 43 HG23 ILE 43 -4.814 5.927 -3.090 360 1HD1 ILE 43 HD11 ILE 43 -0.771 3.505 -1.361 361 2HD1 ILE 43 HD12 ILE 43 -2.089 4.426 -0.633 362 3HD1 ILE 43 HD13 ILE 43 -1.298 5.022 -2.094 363 H LEU 44 HN LEU 44 -5.328 6.089 -0.502 364 HA LEU 44 HA LEU 44 -8.161 5.923 -1.303 365 1HB LEU 44 HB2 LEU 44 -7.930 5.941 1.138 366 2HB LEU 44 HB1 LEU 44 -6.998 7.423 1.045 367 HG LEU 44 HG LEU 44 -9.096 8.430 -0.079 368 1HD1 LEU 44 HD21 LEU 44 -10.606 6.810 -0.531 369 2HD1 LEU 44 HD22 LEU 44 -11.112 7.145 1.125 370 3HD1 LEU 44 HD23 LEU 44 -10.055 5.774 0.786 371 1HD2 LEU 44 HD11 LEU 44 -9.285 7.664 2.829 372 2HD2 LEU 44 HD12 LEU 44 -9.977 9.084 2.043 373 3HD2 LEU 44 HD13 LEU 44 -8.227 8.932 2.206 374 H GLU 45 HN GLU 45 -5.320 7.982 -0.941 375 HA GLU 45 HA GLU 45 -5.878 9.440 -3.300 376 1HB GLU 45 HB2 GLU 45 -6.285 11.656 -2.289 377 2HB GLU 45 HB1 GLU 45 -7.582 10.520 -1.942 378 1HG GLU 45 HG2 GLU 45 -6.423 10.091 0.268 379 2HG GLU 45 HG1 GLU 45 -5.433 11.505 -0.095 380 H GLY 46 HN GLY 46 -3.810 9.385 -3.967 381 1HA GLY 46 HA2 GLY 46 -1.850 11.082 -3.397 382 2HA GLY 46 HA1 GLY 46 -1.660 9.932 -2.079 383 H LYS 47 HN LYS 47 0.523 9.881 -3.339 384 HA LYS 47 HA LYS 47 0.400 7.478 -4.960 385 1HB LYS 47 HB1 LYS 47 0.423 9.811 -6.311 386 2HB LYS 47 HB2 LYS 47 2.154 9.562 -6.108 387 1HG LYS 47 HG2 LYS 47 0.343 7.426 -7.169 388 2HG LYS 47 HG1 LYS 47 1.094 8.631 -8.218 389 1HD LYS 47 HD1 LYS 47 2.747 7.034 -6.304 390 2HD LYS 47 HD2 LYS 47 2.278 6.354 -7.864 391 1HE LYS 47 HE1 LYS 47 4.018 8.721 -7.279 392 2HE LYS 47 HE2 LYS 47 4.363 7.310 -8.276 393 1HZ LYS 47 HZ1 LYS 47 2.773 9.692 -8.922 394 2HZ LYS 47 HZ2 LYS 47 2.410 8.228 -9.689 395 3HZ LYS 47 HZ3 LYS 47 3.952 8.906 -9.845 396 H VAL 48 HN VAL 48 1.823 6.123 -4.236 397 HA VAL 48 HA VAL 48 4.364 7.139 -3.143 398 HB VAL 48 HB VAL 48 2.619 4.894 -2.141 399 1HG1 VAL 48 HG21 VAL 48 4.698 4.808 -0.430 400 2HG1 VAL 48 HG22 VAL 48 5.552 5.182 -1.928 401 3HG1 VAL 48 HG23 VAL 48 4.543 3.738 -1.825 402 1HG2 VAL 48 HG11 VAL 48 2.121 6.264 -0.464 403 2HG2 VAL 48 HG12 VAL 48 2.873 7.548 -1.410 404 3HG2 VAL 48 HG13 VAL 48 3.816 6.677 -0.202 405 H GLU 49 HN GLU 49 6.190 6.254 -3.934 406 HA GLU 49 HA GLU 49 5.887 4.063 -5.874 407 1HB GLU 49 HB2 GLU 49 8.027 6.194 -5.694 408 2HB GLU 49 HB1 GLU 49 7.995 4.893 -6.876 409 1HG GLU 49 HG1 GLU 49 5.814 5.777 -7.692 410 2HG GLU 49 HG2 GLU 49 6.019 7.143 -6.600 411 H VAL 50 HN VAL 50 6.610 2.165 -5.236 412 HA VAL 50 HA VAL 50 8.489 2.031 -2.996 413 HB VAL 50 HB VAL 50 6.697 -0.076 -4.214 414 1HG1 VAL 50 HG11 VAL 50 8.729 -0.230 -2.020 415 2HG1 VAL 50 HG12 VAL 50 8.486 -1.314 -3.392 416 3HG1 VAL 50 HG13 VAL 50 7.337 -1.312 -2.051 417 1HG2 VAL 50 HG21 VAL 50 6.507 1.124 -1.467 418 2HG2 VAL 50 HG22 VAL 50 5.302 0.179 -2.342 419 3HG2 VAL 50 HG23 VAL 50 5.681 1.823 -2.859 420 H THR 51 HN THR 51 10.471 1.155 -3.141 421 HA THR 51 HA THR 51 11.224 -0.192 -5.643 422 HB THR 51 HB THR 51 13.172 1.531 -4.135 423 HG1 THR 51 HG1 THR 51 12.653 3.182 -5.663 424 1HG2 THR 51 HG21 THR 51 13.353 -0.095 -6.429 425 2HG2 THR 51 HG22 THR 51 14.581 0.959 -5.727 426 3HG2 THR 51 HG23 THR 51 13.482 1.584 -6.956 427 H THR 52 HN THR 52 11.689 -2.232 -5.168 428 HA THR 52 HA THR 52 12.572 -2.933 -2.487 429 HB THR 52 HB THR 52 12.060 -5.191 -3.058 430 HG1 THR 52 HG1 THR 52 12.177 -5.925 -5.022 431 1HG2 THR 52 HG21 THR 52 10.129 -3.276 -3.182 432 2HG2 THR 52 HG22 THR 52 9.848 -5.017 -3.177 433 3HG2 THR 52 HG23 THR 52 9.902 -4.137 -4.704 434 H GLU 53 HN GLU 53 14.406 -4.259 -2.075 435 HA GLU 53 HA GLU 53 16.759 -3.424 -3.326 436 1HB GLU 53 HB1 GLU 53 16.083 -5.658 -1.444 437 2HB GLU 53 HB2 GLU 53 17.695 -5.561 -2.139 438 1HG GLU 53 HG1 GLU 53 17.095 -2.989 -1.198 439 2HG GLU 53 HG2 GLU 53 16.574 -4.114 0.056 440 H ASP 54 HN ASP 54 14.868 -6.391 -3.723 441 HA ASP 54 HA ASP 54 16.531 -7.839 -5.372 442 1HB ASP 54 HB2 ASP 54 14.073 -8.272 -4.431 443 2HB ASP 54 HB1 ASP 54 13.632 -7.781 -6.064 444 H GLY 55 HN GLY 55 14.567 -5.048 -6.137 445 1HA GLY 55 HA1 GLY 55 15.432 -3.648 -7.972 446 2HA GLY 55 HA2 GLY 55 15.645 -5.132 -8.887 447 H LYS 56 HN LYS 56 12.830 -4.624 -6.904 448 HA LYS 56 HA LYS 56 11.197 -4.567 -9.339 449 1HB LYS 56 HB1 LYS 56 10.200 -5.068 -6.539 450 2HB LYS 56 HB2 LYS 56 9.420 -5.479 -8.061 451 1HG LYS 56 HG1 LYS 56 11.910 -6.742 -6.934 452 2HG LYS 56 HG2 LYS 56 10.301 -7.465 -7.006 453 1HD LYS 56 HD2 LYS 56 10.771 -6.712 -9.614 454 2HD LYS 56 HD1 LYS 56 12.355 -7.264 -9.063 455 1HE LYS 56 HE2 LYS 56 10.312 -9.063 -8.153 456 2HE LYS 56 HE1 LYS 56 10.180 -8.832 -9.896 457 1HZ LYS 56 HZ1 LYS 56 11.777 -10.623 -8.869 458 2HZ LYS 56 HZ2 LYS 56 12.840 -9.310 -8.780 459 3HZ LYS 56 HZ3 LYS 56 12.196 -9.777 -10.272 460 H LYS 57 HN LYS 57 8.982 -3.413 -8.897 461 HA LYS 57 HA LYS 57 9.180 -1.035 -7.287 462 1HB LYS 57 HB1 LYS 57 10.343 -0.718 -9.644 463 2HB LYS 57 HB2 LYS 57 8.682 -0.494 -10.177 464 1HG LYS 57 HG1 LYS 57 8.420 1.459 -8.990 465 2HG LYS 57 HG2 LYS 57 9.691 1.049 -7.836 466 1HD LYS 57 HD1 LYS 57 10.361 1.501 -10.715 467 2HD LYS 57 HD2 LYS 57 10.138 2.873 -9.627 468 1HE LYS 57 HE2 LYS 57 11.788 1.608 -8.085 469 2HE LYS 57 HE1 LYS 57 12.209 0.713 -9.545 470 1HZ LYS 57 HZ1 LYS 57 12.222 3.668 -9.488 471 2HZ LYS 57 HZ2 LYS 57 12.990 2.632 -10.582 472 3HZ LYS 57 HZ3 LYS 57 13.569 2.770 -8.999 473 H TYR 58 HN TYR 58 7.190 -0.143 -6.831 474 HA TYR 58 HA TYR 58 4.869 -1.274 -8.237 475 1HB TYR 58 HB2 TYR 58 4.699 -0.817 -5.287 476 2HB TYR 58 HB1 TYR 58 3.795 -1.938 -6.298 477 HD1 TYR 58 HD1 TYR 58 5.546 -3.680 -7.544 478 HD2 TYR 58 HD2 TYR 58 6.046 -1.848 -3.736 479 HE1 TYR 58 HE1 TYR 58 7.047 -5.508 -6.866 480 HE2 TYR 58 HE2 TYR 58 7.546 -3.671 -3.048 481 HH TYR 58 HH TYR 58 8.285 -5.751 -3.576 482 H VAL 59 HN VAL 59 3.823 0.361 -9.139 483 HA VAL 59 HA VAL 59 3.781 2.962 -7.777 484 HB VAL 59 HB VAL 59 4.577 3.135 -10.037 485 1HG1 VAL 59 HG21 VAL 59 3.762 1.149 -11.043 486 2HG1 VAL 59 HG22 VAL 59 3.070 2.497 -11.946 487 3HG1 VAL 59 HG23 VAL 59 2.083 1.621 -10.776 488 1HG2 VAL 59 HG11 VAL 59 3.450 5.018 -10.428 489 2HG2 VAL 59 HG12 VAL 59 2.458 4.586 -9.035 490 3HG2 VAL 59 HG13 VAL 59 1.929 4.156 -10.662 491 H ILE 60 HN ILE 60 1.996 3.562 -6.739 492 HA ILE 60 HA ILE 60 -0.597 2.520 -7.625 493 HB ILE 60 HB ILE 60 -1.256 2.165 -5.239 494 1HG1 ILE 60 HG11 ILE 60 1.713 2.168 -4.676 495 2HG1 ILE 60 HG12 ILE 60 0.685 3.556 -4.341 496 1HG2 ILE 60 HG21 ILE 60 0.977 0.293 -5.582 497 2HG2 ILE 60 HG22 ILE 60 -0.070 0.469 -6.993 498 3HG2 ILE 60 HG23 ILE 60 -0.755 -0.013 -5.442 499 1HD1 ILE 60 HD11 ILE 60 0.733 0.885 -3.025 500 2HD1 ILE 60 HD12 ILE 60 -0.731 1.866 -2.990 501 3HD1 ILE 60 HD13 ILE 60 0.768 2.496 -2.306 502 H GLU 61 HN GLU 61 -2.067 4.092 -7.803 503 HA GLU 61 HA GLU 61 -1.834 6.443 -6.070 504 1HB GLU 61 HB2 GLU 61 -0.849 6.675 -8.497 505 2HB GLU 61 HB1 GLU 61 -2.540 6.838 -8.950 506 1HG GLU 61 HG1 GLU 61 -2.804 8.768 -7.587 507 2HG GLU 61 HG2 GLU 61 -1.220 8.534 -6.849 508 H LYS 62 HN LYS 62 -3.644 6.732 -5.034 509 HA LYS 62 HA LYS 62 -5.840 6.842 -4.492 510 1HB LYS 62 HB1 LYS 62 -5.543 8.238 -6.748 511 2HB LYS 62 HB2 LYS 62 -6.654 7.014 -7.346 512 1HG LYS 62 HG2 LYS 62 -7.111 8.893 -5.040 513 2HG LYS 62 HG1 LYS 62 -7.893 8.938 -6.621 514 1HD LYS 62 HD1 LYS 62 -9.025 6.874 -6.199 515 2HD LYS 62 HD2 LYS 62 -8.100 6.610 -4.719 516 1HE LYS 62 HE2 LYS 62 -9.825 7.547 -3.661 517 2HE LYS 62 HE1 LYS 62 -9.217 9.076 -4.295 518 1HZ LYS 62 HZ1 LYS 62 -11.603 7.642 -4.975 519 2HZ LYS 62 HZ2 LYS 62 -10.703 8.074 -6.339 520 3HZ LYS 62 HZ3 LYS 62 -11.206 9.264 -5.247 521 H GLY 63 HN GLY 63 -6.628 5.016 -3.699 522 1HA GLY 63 HA2 GLY 63 -8.002 3.182 -3.609 523 2HA GLY 63 HA1 GLY 63 -8.362 3.440 -5.305 524 H ASP 64 HN ASP 64 -5.079 3.190 -5.151 525 HA ASP 64 HA ASP 64 -5.172 0.511 -6.203 526 1HB ASP 64 HB2 ASP 64 -3.062 2.614 -5.916 527 2HB ASP 64 HB1 ASP 64 -2.575 0.949 -6.221 528 H LEU 65 HN LEU 65 -4.664 -1.341 -5.202 529 HA LEU 65 HA LEU 65 -3.490 -1.165 -2.513 530 1HB LEU 65 HB2 LEU 65 -4.841 -2.817 -1.667 531 2HB LEU 65 HB1 LEU 65 -5.938 -1.923 -2.691 532 HG LEU 65 HG LEU 65 -4.631 -4.560 -3.354 533 1HD1 LEU 65 HD21 LEU 65 -6.372 -4.844 -1.737 534 2HD1 LEU 65 HD22 LEU 65 -6.985 -5.365 -3.307 535 3HD1 LEU 65 HD23 LEU 65 -7.457 -3.796 -2.652 536 1HD2 LEU 65 HD11 LEU 65 -6.524 -4.277 -5.213 537 2HD2 LEU 65 HD12 LEU 65 -4.856 -3.757 -5.454 538 3HD2 LEU 65 HD13 LEU 65 -6.086 -2.587 -4.985 539 H VAL 66 HN VAL 66 -1.954 -2.726 -1.939 540 HA VAL 66 HA VAL 66 -1.039 -4.529 -4.064 541 HB VAL 66 HB VAL 66 0.783 -2.671 -2.531 542 1HG1 VAL 66 HG21 VAL 66 2.522 -3.553 -4.067 543 2HG1 VAL 66 HG22 VAL 66 1.355 -4.741 -4.649 544 3HG1 VAL 66 HG23 VAL 66 1.880 -4.771 -2.966 545 1HG2 VAL 66 HG11 VAL 66 -0.422 -2.571 -5.250 546 2HG2 VAL 66 HG12 VAL 66 1.210 -1.944 -5.015 547 3HG2 VAL 66 HG13 VAL 66 -0.135 -1.271 -4.093 548 H THR 67 HN THR 67 0.189 -6.304 -3.383 549 HA THR 67 HA THR 67 -0.093 -6.930 -0.521 550 HB THR 67 HB THR 67 0.072 -8.746 -2.932 551 HG1 THR 67 HG1 THR 67 -1.984 -8.017 -1.147 552 1HG2 THR 67 HG21 THR 67 -0.495 -10.548 -1.248 553 2HG2 THR 67 HG22 THR 67 0.074 -9.423 -0.014 554 3HG2 THR 67 HG23 THR 67 1.173 -9.976 -1.277 555 H PHE 68 HN PHE 68 1.634 -7.986 0.554 556 HA PHE 68 HA PHE 68 4.191 -8.127 -0.837 557 1HB PHE 68 HB2 PHE 68 4.046 -6.690 1.802 558 2HB PHE 68 HB1 PHE 68 5.368 -6.719 0.641 559 HD1 PHE 68 HD1 PHE 68 2.110 -5.268 1.456 560 HD2 PHE 68 HD2 PHE 68 5.348 -5.298 -1.306 561 HE1 PHE 68 HE1 PHE 68 1.275 -3.180 0.459 562 HE2 PHE 68 HE2 PHE 68 4.518 -3.210 -2.308 563 HZ PHE 68 HZ PHE 68 2.478 -2.148 -1.424 564 HA PRO 69 HA PRO 69 4.375 -11.710 1.764 565 1HB PRO 69 HB1 PRO 69 6.772 -12.643 1.027 566 2HB PRO 69 HB2 PRO 69 5.408 -12.622 -0.094 567 1HG PRO 69 HG1 PRO 69 7.742 -10.768 0.090 568 2HG PRO 69 HG2 PRO 69 6.929 -11.409 -1.348 569 1HD PRO 69 HD2 PRO 69 6.499 -8.892 -0.268 570 2HD PRO 69 HD1 PRO 69 5.378 -9.743 -1.347 571 H LYS 70 HN LYS 70 5.071 -12.258 3.767 572 HA LYS 70 HA LYS 70 6.294 -10.490 5.478 573 1HB LYS 70 HB1 LYS 70 5.086 -12.460 6.265 574 2HB LYS 70 HB2 LYS 70 6.339 -13.510 5.617 575 1HG LYS 70 HG1 LYS 70 7.855 -12.945 7.263 576 2HG LYS 70 HG2 LYS 70 7.043 -11.422 7.631 577 1HD LYS 70 HD2 LYS 70 5.760 -12.384 9.180 578 2HD LYS 70 HD1 LYS 70 5.306 -13.694 8.084 579 1HE LYS 70 HE1 LYS 70 6.676 -15.106 9.115 580 2HE LYS 70 HE2 LYS 70 8.037 -14.003 8.913 581 1HZ LYS 70 HZ1 LYS 70 6.745 -12.821 10.910 582 2HZ LYS 70 HZ2 LYS 70 7.954 -13.981 11.147 583 3HZ LYS 70 HZ3 LYS 70 6.325 -14.431 11.219 584 H GLY 71 HN GLY 71 8.222 -9.564 5.240 585 1HA GLY 71 HA2 GLY 71 10.639 -10.108 5.678 586 2HA GLY 71 HA1 GLY 71 10.477 -11.254 4.356 587 H LEU 72 HN LEU 72 8.693 -9.325 2.919 588 HA LEU 72 HA LEU 72 10.345 -8.249 1.077 589 1HB LEU 72 HB2 LEU 72 7.979 -8.175 0.773 590 2HB LEU 72 HB1 LEU 72 7.763 -7.146 2.172 591 HG LEU 72 HG LEU 72 7.509 -6.060 -0.106 592 1HD1 LEU 72 HD11 LEU 72 7.770 -4.183 1.026 593 2HD1 LEU 72 HD12 LEU 72 9.523 -4.368 0.994 594 3HD1 LEU 72 HD13 LEU 72 8.586 -5.093 2.296 595 1HD2 LEU 72 HD21 LEU 72 10.357 -5.552 -0.335 596 2HD2 LEU 72 HD22 LEU 72 9.183 -5.994 -1.574 597 3HD2 LEU 72 HD23 LEU 72 9.948 -7.248 -0.596 598 H ARG 73 HN ARG 73 11.740 -6.590 0.869 599 HA ARG 73 HA ARG 73 11.784 -4.543 2.976 600 1HB ARG 73 HB1 ARG 73 13.699 -6.501 2.790 601 2HB ARG 73 HB2 ARG 73 14.416 -5.200 1.851 602 1HG ARG 73 HG2 ARG 73 13.941 -3.693 3.830 603 2HG ARG 73 HG1 ARG 73 13.584 -5.166 4.736 604 1HD ARG 73 HD2 ARG 73 16.086 -5.330 3.259 605 2HD ARG 73 HD1 ARG 73 16.068 -4.005 4.422 606 HE ARG 73 HE ARG 73 15.144 -6.068 5.879 607 1HH1 ARG 73 HH11 ARG 73 17.921 -5.704 3.811 608 2HH1 ARG 73 HH12 ARG 73 18.895 -6.826 4.702 609 1HH2 ARG 73 HH21 ARG 73 16.418 -7.549 7.060 610 2HH2 ARG 73 HH22 ARG 73 18.040 -7.875 6.549 611 H CYS 74 HN CYS 74 11.321 -2.679 2.028 612 HA CYS 74 HA CYS 74 12.802 -1.857 -0.329 613 1HB CYS 74 HB2 CYS 74 10.739 -1.176 -1.539 614 2HB CYS 74 HB1 CYS 74 10.880 -2.921 -1.348 615 HG CYS 74 HG CYS 74 8.707 -2.912 -0.249 616 H ARG 75 HN ARG 75 12.528 0.433 -0.819 617 HA ARG 75 HA ARG 75 12.036 1.964 1.632 618 1HB ARG 75 HB1 ARG 75 14.240 2.170 0.481 619 2HB ARG 75 HB2 ARG 75 13.409 2.838 -0.917 620 1HG ARG 75 HG2 ARG 75 12.827 4.184 1.623 621 2HG ARG 75 HG1 ARG 75 14.499 4.307 1.073 622 1HD ARG 75 HD2 ARG 75 12.130 4.922 -0.678 623 2HD ARG 75 HD1 ARG 75 12.957 6.139 0.293 624 HE ARG 75 HE ARG 75 14.712 4.647 -1.423 625 1HH1 ARG 75 HH12 ARG 75 12.567 7.380 -1.205 626 2HH1 ARG 75 HH11 ARG 75 13.323 8.243 -2.504 627 1HH2 ARG 75 HH21 ARG 75 15.717 5.774 -3.134 628 2HH2 ARG 75 HH22 ARG 75 15.116 7.330 -3.600 629 H TRP 76 HN TRP 76 10.351 3.295 1.823 630 HA TRP 76 HA TRP 76 8.596 3.633 -0.491 631 1HB TRP 76 HB2 TRP 76 8.205 3.770 2.466 632 2HB TRP 76 HB1 TRP 76 7.073 4.608 1.413 633 HD1 TRP 76 HD1 TRP 76 8.596 1.183 0.551 634 HE1 TRP 76 HE1 TRP 76 6.687 -0.539 0.419 635 HE3 TRP 76 HE3 TRP 76 4.739 4.120 2.172 636 HZ2 TRP 76 HZ2 TRP 76 3.914 -0.640 0.934 637 HZ3 TRP 76 HZ3 TRP 76 2.489 3.134 2.323 638 HH2 TRP 76 HH2 TRP 76 2.087 0.803 1.717 639 H LYS 77 HN LYS 77 7.758 5.639 -1.097 640 HA LYS 77 HA LYS 77 8.792 8.062 0.101 641 1HB LYS 77 HB1 LYS 77 9.467 8.621 -2.485 642 2HB LYS 77 HB2 LYS 77 10.606 8.133 -1.239 643 1HG LYS 77 HG2 LYS 77 11.064 6.207 -2.261 644 2HG LYS 77 HG1 LYS 77 9.362 5.865 -2.582 645 1HD LYS 77 HD2 LYS 77 9.386 7.243 -4.538 646 2HD LYS 77 HD1 LYS 77 11.007 7.834 -4.164 647 1HE LYS 77 HE2 LYS 77 11.290 5.081 -4.206 648 2HE LYS 77 HE1 LYS 77 10.182 5.414 -5.536 649 1HZ LYS 77 HZ1 LYS 77 12.135 5.712 -6.611 650 2HZ LYS 77 HZ2 LYS 77 12.983 6.166 -5.219 651 3HZ LYS 77 HZ3 LYS 77 11.976 7.280 -5.998 652 H VAL 78 HN VAL 78 7.044 9.270 0.240 653 HA VAL 78 HA VAL 78 4.863 8.973 -1.636 654 HB VAL 78 HB VAL 78 5.039 10.973 0.609 655 1HG1 VAL 78 HG11 VAL 78 2.738 9.700 -0.860 656 2HG1 VAL 78 HG12 VAL 78 3.228 11.393 -0.903 657 3HG1 VAL 78 HG13 VAL 78 2.568 10.705 0.580 658 1HG2 VAL 78 HG21 VAL 78 5.176 8.193 0.883 659 2HG2 VAL 78 HG22 VAL 78 3.510 8.626 1.263 660 3HG2 VAL 78 HG23 VAL 78 4.840 9.377 2.147 661 H LEU 79 HN LEU 79 4.272 10.365 -3.202 662 HA LEU 79 HA LEU 79 6.090 12.595 -3.772 663 1HB LEU 79 HB2 LEU 79 4.008 11.246 -5.498 664 2HB LEU 79 HB1 LEU 79 5.033 12.568 -6.017 665 HG LEU 79 HG LEU 79 7.017 11.135 -5.720 666 1HD1 LEU 79 HD21 LEU 79 6.520 8.644 -5.499 667 2HD1 LEU 79 HD22 LEU 79 4.949 9.135 -4.867 668 3HD1 LEU 79 HD23 LEU 79 6.426 9.619 -4.035 669 1HD2 LEU 79 HD11 LEU 79 6.152 9.357 -7.501 670 2HD2 LEU 79 HD12 LEU 79 6.430 11.050 -7.912 671 3HD2 LEU 79 HD13 LEU 79 4.795 10.483 -7.566 672 H GLU 80 HN GLU 80 2.766 11.803 -3.111 673 HA GLU 80 HA GLU 80 2.168 14.653 -2.762 674 1HB GLU 80 HB2 GLU 80 0.206 12.767 -4.052 675 2HB GLU 80 HB1 GLU 80 0.131 14.523 -3.970 676 1HG GLU 80 HG2 GLU 80 2.429 14.232 -5.318 677 2HG GLU 80 HG1 GLU 80 1.594 12.765 -5.830 678 HA PRO 81 HA PRO 81 0.308 13.779 1.159 679 1HB PRO 81 HB2 PRO 81 -2.214 14.755 -0.143 680 2HB PRO 81 HB1 PRO 81 -1.559 15.136 1.455 681 1HG PRO 81 HG2 PRO 81 -1.257 16.851 -0.549 682 2HG PRO 81 HG1 PRO 81 0.067 16.565 0.589 683 1HD PRO 81 HD1 PRO 81 -0.235 15.673 -2.230 684 2HD PRO 81 HD2 PRO 81 1.240 16.034 -1.310 685 H VAL 82 HN VAL 82 0.165 11.639 1.489 686 HA VAL 82 HA VAL 82 -1.735 10.099 -0.100 687 HB VAL 82 HB VAL 82 0.950 9.652 0.771 688 1HG1 VAL 82 HG21 VAL 82 -0.057 8.405 2.669 689 2HG1 VAL 82 HG22 VAL 82 0.919 7.405 1.593 690 3HG1 VAL 82 HG23 VAL 82 -0.841 7.342 1.501 691 1HG2 VAL 82 HG11 VAL 82 0.277 9.309 -1.470 692 2HG2 VAL 82 HG12 VAL 82 -0.964 8.150 -0.993 693 3HG2 VAL 82 HG13 VAL 82 0.742 7.733 -0.827 694 H ARG 83 HN ARG 83 -3.276 8.822 0.716 695 HA ARG 83 HA ARG 83 -3.617 8.625 3.620 696 1HB ARG 83 HB2 ARG 83 -5.317 10.108 1.857 697 2HB ARG 83 HB1 ARG 83 -6.203 8.702 2.428 698 1HG ARG 83 HG1 ARG 83 -6.640 10.532 3.899 699 2HG ARG 83 HG2 ARG 83 -5.640 9.355 4.752 700 1HD ARG 83 HD1 ARG 83 -4.419 11.161 5.295 701 2HD ARG 83 HD2 ARG 83 -3.728 10.937 3.693 702 HE ARG 83 HE ARG 83 -5.590 13.006 4.534 703 1HH1 ARG 83 HH21 ARG 83 -3.922 11.456 1.878 704 2HH1 ARG 83 HH22 ARG 83 -4.151 12.790 0.802 705 1HH2 ARG 83 HH11 ARG 83 -5.885 14.751 3.113 706 2HH2 ARG 83 HH12 ARG 83 -5.263 14.657 1.500 707 H LYS 84 HN LYS 84 -3.391 6.494 3.976 708 HA LYS 84 HA LYS 84 -4.495 4.657 1.958 709 1HB LYS 84 HB2 LYS 84 -2.146 4.509 1.862 710 2HB LYS 84 HB1 LYS 84 -1.983 4.570 3.608 711 1HG LYS 84 HG2 LYS 84 -3.102 2.308 3.672 712 2HG LYS 84 HG1 LYS 84 -2.903 2.266 1.919 713 1HD LYS 84 HD2 LYS 84 -0.658 2.650 3.896 714 2HD LYS 84 HD1 LYS 84 -1.077 1.113 3.140 715 1HE LYS 84 HE2 LYS 84 -0.247 3.614 1.673 716 2HE LYS 84 HE1 LYS 84 0.796 2.231 2.006 717 1HZ LYS 84 HZ1 LYS 84 -1.580 2.329 0.242 718 2HZ LYS 84 HZ2 LYS 84 -0.882 0.873 0.748 719 3HZ LYS 84 HZ3 LYS 84 0.018 1.965 -0.180 720 H HIS 85 HN HIS 85 -5.410 2.732 2.577 721 HA HIS 85 HA HIS 85 -6.391 2.628 5.339 722 1HB HIS 85 HB1 HIS 85 -7.418 1.358 2.796 723 2HB HIS 85 HB2 HIS 85 -8.047 0.968 4.395 724 HD1 HIS 85 HD1 HIS 85 -10.151 2.188 4.830 725 HD2 HIS 85 HD2 HIS 85 -7.500 4.431 2.553 726 HE1 HIS 85 HE1 HIS 85 -11.316 4.378 4.407 727 HE2 HIS 85 HE2 HIS 85 -9.693 5.722 3.024 728 H TYR 86 HN TYR 86 -6.553 0.408 6.286 729 HA TYR 86 HA TYR 86 -4.175 -1.146 5.493 730 1HB TYR 86 HB2 TYR 86 -5.232 -0.378 8.189 731 2HB TYR 86 HB1 TYR 86 -4.049 -1.665 7.988 732 HD1 TYR 86 HD1 TYR 86 -4.375 1.629 8.848 733 HD2 TYR 86 HD2 TYR 86 -2.063 -0.843 6.278 734 HE1 TYR 86 HE1 TYR 86 -2.597 3.316 8.846 735 HE2 TYR 86 HE2 TYR 86 -0.273 0.831 6.261 736 HH TYR 86 HH TYR 86 0.060 3.179 6.668 737 H ASN 87 HN ASN 87 -4.119 -3.325 5.772 738 HA ASN 87 HA ASN 87 -6.425 -4.781 6.746 739 1HB ASN 87 HB2 ASN 87 -6.475 -4.238 4.107 740 2HB ASN 87 HB1 ASN 87 -5.485 -5.693 4.081 741 1HD2 ASN 87 HD21 ASN 87 -8.327 -4.626 5.925 742 2HD2 ASN 87 HD22 ASN 87 -9.276 -6.032 5.598 743 H LEU 88 HN LEU 88 -4.644 -5.146 8.298 744 HA LEU 88 HA LEU 88 -2.601 -7.007 7.320 745 1HB LEU 88 HB1 LEU 88 -2.417 -6.027 10.096 746 2HB LEU 88 HB2 LEU 88 -1.162 -6.237 8.894 747 HG LEU 88 HG LEU 88 -1.189 -3.937 9.278 748 1HD1 LEU 88 HD21 LEU 88 -2.837 -3.202 7.186 749 2HD1 LEU 88 HD22 LEU 88 -2.315 -4.836 6.781 750 3HD1 LEU 88 HD23 LEU 88 -1.120 -3.584 7.102 751 1HD2 LEU 88 HD11 LEU 88 -4.031 -3.394 8.853 752 2HD2 LEU 88 HD12 LEU 88 -2.908 -2.736 10.042 753 3HD2 LEU 88 HD13 LEU 88 -3.661 -4.306 10.315 754 H PHE 89 HN PHE 89 -2.210 -8.968 8.318 755 HA PHE 89 HA PHE 89 -3.879 -9.867 10.496 756 1HB PHE 89 HB1 PHE 89 -4.692 -11.858 9.113 757 2HB PHE 89 HB2 PHE 89 -5.469 -10.309 8.800 758 HD1 PHE 89 HD1 PHE 89 -4.651 -8.949 6.812 759 HD2 PHE 89 HD2 PHE 89 -3.681 -13.051 7.389 760 HE1 PHE 89 HE1 PHE 89 -4.091 -9.148 4.424 761 HE2 PHE 89 HE2 PHE 89 -3.119 -13.258 5.001 762 HZ PHE 89 HZ PHE 89 -3.325 -11.305 3.516 Start of MODEL 4 1 1H MET 1 HT1 MET 1 7.407 -13.356 -3.786 2 2H MET 1 HT2 MET 1 6.942 -12.626 -2.303 3 3H MET 1 HT3 MET 1 8.601 -12.703 -2.740 4 HA MET 1 HA MET 1 7.430 -10.528 -3.019 5 1HB MET 1 HB2 MET 1 9.451 -11.890 -4.434 6 2HB MET 1 HB1 MET 1 8.505 -11.046 -5.650 7 1HG MET 1 HG2 MET 1 9.036 -8.969 -4.823 8 2HG MET 1 HG1 MET 1 9.387 -9.585 -3.209 9 1HE MET 1 HE1 MET 1 11.846 -12.133 -4.558 10 2HE MET 1 HE2 MET 1 10.994 -11.605 -3.107 11 3HE MET 1 HE3 MET 1 12.689 -11.176 -3.339 12 H GLU 2 HN GLU 2 5.093 -11.634 -3.084 13 HA GLU 2 HA GLU 2 4.052 -11.621 -5.819 14 1HB GLU 2 HB2 GLU 2 2.856 -12.478 -3.183 15 2HB GLU 2 HB1 GLU 2 1.924 -12.390 -4.671 16 1HG GLU 2 HG1 GLU 2 3.712 -13.940 -5.653 17 2HG GLU 2 HG2 GLU 2 4.181 -14.228 -3.977 18 H VAL 3 HN VAL 3 4.706 -9.181 -5.518 19 HA VAL 3 HA VAL 3 2.623 -7.630 -4.194 20 HB VAL 3 HB VAL 3 4.832 -6.437 -5.835 21 1HG1 VAL 3 HG21 VAL 3 4.636 -4.645 -4.134 22 2HG1 VAL 3 HG22 VAL 3 3.290 -5.530 -3.415 23 3HG1 VAL 3 HG23 VAL 3 3.160 -4.909 -5.060 24 1HG2 VAL 3 HG11 VAL 3 5.868 -6.365 -3.338 25 2HG2 VAL 3 HG12 VAL 3 6.300 -7.567 -4.554 26 3HG2 VAL 3 HG13 VAL 3 5.092 -7.948 -3.327 27 H LYS 4 HN LYS 4 0.874 -6.901 -5.222 28 HA LYS 4 HA LYS 4 0.995 -6.570 -8.140 29 1HB LYS 4 HB1 LYS 4 -0.962 -7.752 -8.503 30 2HB LYS 4 HB2 LYS 4 -0.218 -8.687 -7.222 31 1HG LYS 4 HG2 LYS 4 -2.249 -6.567 -6.605 32 2HG LYS 4 HG1 LYS 4 -2.725 -8.190 -7.082 33 1HD LYS 4 HD1 LYS 4 -1.468 -9.130 -5.222 34 2HD LYS 4 HD2 LYS 4 -0.941 -7.513 -4.752 35 1HE LYS 4 HE1 LYS 4 -2.749 -7.390 -3.462 36 2HE LYS 4 HE2 LYS 4 -3.713 -7.334 -4.937 37 1HZ LYS 4 HZ1 LYS 4 -2.891 -9.868 -3.636 38 2HZ LYS 4 HZ2 LYS 4 -4.037 -9.663 -4.863 39 3HZ LYS 4 HZ3 LYS 4 -4.357 -9.092 -3.304 40 H ILE 5 HN ILE 5 -0.496 -5.019 -9.029 41 HA ILE 5 HA ILE 5 -1.584 -3.138 -7.039 42 HB ILE 5 HB ILE 5 -0.525 -2.208 -9.690 43 1HG1 ILE 5 HG12 ILE 5 1.405 -1.383 -8.013 44 2HG1 ILE 5 HG11 ILE 5 0.969 -2.887 -7.207 45 1HG2 ILE 5 HG21 ILE 5 -0.283 -0.090 -8.248 46 2HG2 ILE 5 HG22 ILE 5 -1.344 -0.921 -7.112 47 3HG2 ILE 5 HG23 ILE 5 -1.898 -0.584 -8.752 48 1HD1 ILE 5 HD11 ILE 5 2.420 -2.440 -9.698 49 2HD1 ILE 5 HD12 ILE 5 1.185 -3.696 -9.792 50 3HD1 ILE 5 HD13 ILE 5 2.462 -3.805 -8.580 51 H GLU 6 HN GLU 6 -3.755 -3.027 -7.206 52 HA GLU 6 HA GLU 6 -4.937 -2.897 -9.864 53 1HB GLU 6 HB1 GLU 6 -5.549 -5.094 -7.890 54 2HB GLU 6 HB2 GLU 6 -6.637 -4.667 -9.204 55 1HG GLU 6 HG1 GLU 6 -3.786 -5.575 -9.533 56 2HG GLU 6 HG2 GLU 6 -5.214 -6.587 -9.743 57 H LYS 7 HN LYS 7 -6.856 -1.812 -9.949 58 HA LYS 7 HA LYS 7 -7.648 -0.448 -7.494 59 1HB LYS 7 HB1 LYS 7 -8.598 0.047 -10.318 60 2HB LYS 7 HB2 LYS 7 -8.852 1.088 -8.924 61 1HG LYS 7 HG1 LYS 7 -6.922 2.120 -9.262 62 2HG LYS 7 HG2 LYS 7 -6.046 0.588 -9.305 63 1HD LYS 7 HD1 LYS 7 -7.572 1.734 -11.638 64 2HD LYS 7 HD2 LYS 7 -5.838 1.938 -11.389 65 1HE LYS 7 HE2 LYS 7 -5.771 -0.630 -11.255 66 2HE LYS 7 HE1 LYS 7 -7.373 -0.564 -11.991 67 1HZ LYS 7 HZ1 LYS 7 -5.370 -0.784 -13.525 68 2HZ LYS 7 HZ2 LYS 7 -5.073 0.848 -13.192 69 3HZ LYS 7 HZ3 LYS 7 -6.526 0.385 -13.923 70 HA PRO 8 HA PRO 8 -10.762 -3.778 -7.325 71 1HB PRO 8 HB2 PRO 8 -11.752 -2.797 -4.893 72 2HB PRO 8 HB1 PRO 8 -10.564 -4.085 -5.097 73 1HG PRO 8 HG2 PRO 8 -10.151 -1.208 -4.469 74 2HG PRO 8 HG1 PRO 8 -9.228 -2.621 -3.930 75 1HD PRO 8 HD2 PRO 8 -8.288 -0.966 -5.806 76 2HD PRO 8 HD1 PRO 8 -7.992 -2.715 -5.887 77 H THR 9 HN THR 9 -12.624 -3.669 -8.344 78 HA THR 9 HA THR 9 -13.944 -1.206 -8.905 79 HB THR 9 HB THR 9 -15.514 -3.652 -9.305 80 HG1 THR 9 HG1 THR 9 -13.687 -4.748 -9.624 81 1HG2 THR 9 HG21 THR 9 -14.584 -1.383 -10.983 82 2HG2 THR 9 HG22 THR 9 -16.219 -1.969 -10.676 83 3HG2 THR 9 HG23 THR 9 -15.147 -2.867 -11.751 84 HA PRO 10 HA PRO 10 -16.691 -0.449 -5.541 85 1HB PRO 10 HB2 PRO 10 -19.074 -0.617 -7.140 86 2HB PRO 10 HB1 PRO 10 -18.269 0.827 -6.526 87 1HG PRO 10 HG2 PRO 10 -18.108 -0.422 -9.191 88 2HG PRO 10 HG1 PRO 10 -17.782 1.252 -8.711 89 1HD PRO 10 HD2 PRO 10 -15.810 -0.441 -9.408 90 2HD PRO 10 HD1 PRO 10 -15.583 0.793 -8.153 91 H GLU 11 HN GLU 11 -17.356 -3.086 -7.781 92 HA GLU 11 HA GLU 11 -19.206 -4.441 -6.091 93 1HB GLU 11 HB1 GLU 11 -19.090 -6.242 -7.645 94 2HB GLU 11 HB2 GLU 11 -18.998 -4.759 -8.583 95 1HG GLU 11 HG2 GLU 11 -16.435 -5.108 -8.408 96 2HG GLU 11 HG1 GLU 11 -16.870 -6.771 -8.016 97 H LYS 12 HN LYS 12 -15.726 -4.701 -6.647 98 HA LYS 12 HA LYS 12 -15.391 -6.916 -4.854 99 1HB LYS 12 HB2 LYS 12 -13.827 -5.650 -6.807 100 2HB LYS 12 HB1 LYS 12 -12.980 -5.379 -5.290 101 1HG LYS 12 HG1 LYS 12 -12.569 -7.611 -4.959 102 2HG LYS 12 HG2 LYS 12 -13.946 -8.120 -5.940 103 1HD LYS 12 HD1 LYS 12 -12.016 -8.647 -7.200 104 2HD LYS 12 HD2 LYS 12 -12.698 -7.196 -7.937 105 1HE LYS 12 HE1 LYS 12 -10.946 -5.904 -7.340 106 2HE LYS 12 HE2 LYS 12 -10.723 -6.736 -5.801 107 1HZ LYS 12 HZ1 LYS 12 -8.966 -7.679 -6.749 108 2HZ LYS 12 HZ2 LYS 12 -9.403 -7.162 -8.300 109 3HZ LYS 12 HZ3 LYS 12 -10.043 -8.598 -7.675 110 H LEU 13 HN LEU 13 -15.323 -3.446 -4.650 111 HA LEU 13 HA LEU 13 -13.954 -3.168 -2.207 112 1HB LEU 13 HB1 LEU 13 -16.066 -1.415 -3.464 113 2HB LEU 13 HB2 LEU 13 -15.085 -0.954 -2.086 114 HG LEU 13 HG LEU 13 -14.009 -1.600 -4.835 115 1HD1 LEU 13 HD11 LEU 13 -14.138 0.569 -5.395 116 2HD1 LEU 13 HD12 LEU 13 -13.759 1.119 -3.763 117 3HD1 LEU 13 HD13 LEU 13 -15.404 0.630 -4.169 118 1HD2 LEU 13 HD21 LEU 13 -12.679 -0.545 -2.345 119 2HD2 LEU 13 HD22 LEU 13 -11.927 -0.613 -3.938 120 3HD2 LEU 13 HD23 LEU 13 -12.395 -2.104 -3.121 121 H LYS 14 HN LYS 14 -17.258 -3.982 -2.980 122 HA LYS 14 HA LYS 14 -18.542 -3.411 -0.591 123 1HB LYS 14 HB1 LYS 14 -19.424 -4.422 -2.845 124 2HB LYS 14 HB2 LYS 14 -19.139 -5.962 -2.047 125 1HG LYS 14 HG1 LYS 14 -20.535 -4.902 -0.119 126 2HG LYS 14 HG2 LYS 14 -21.111 -3.826 -1.394 127 1HD LYS 14 HD1 LYS 14 -21.149 -6.820 -1.667 128 2HD LYS 14 HD2 LYS 14 -22.489 -5.916 -0.957 129 1HE LYS 14 HE2 LYS 14 -21.833 -4.600 -3.349 130 2HE LYS 14 HE1 LYS 14 -21.828 -6.322 -3.722 131 1HZ LYS 14 HZ1 LYS 14 -24.045 -4.641 -2.768 132 2HZ LYS 14 HZ2 LYS 14 -24.056 -6.301 -2.441 133 3HZ LYS 14 HZ3 LYS 14 -24.017 -5.755 -4.042 134 H GLU 15 HN GLU 15 -16.814 -6.381 -1.513 135 HA GLU 15 HA GLU 15 -17.112 -7.528 1.117 136 1HB GLU 15 HB1 GLU 15 -15.151 -8.514 -0.929 137 2HB GLU 15 HB2 GLU 15 -16.062 -9.433 0.263 138 1HG GLU 15 HG2 GLU 15 -17.969 -8.229 -1.392 139 2HG GLU 15 HG1 GLU 15 -16.709 -8.838 -2.464 140 H LEU 16 HN LEU 16 -14.793 -5.614 -0.593 141 HA LEU 16 HA LEU 16 -12.734 -6.014 1.429 142 1HB LEU 16 HB2 LEU 16 -12.699 -4.271 -1.036 143 2HB LEU 16 HB1 LEU 16 -11.327 -4.636 -0.008 144 HG LEU 16 HG LEU 16 -12.837 -6.649 -1.677 145 1HD1 LEU 16 HD21 LEU 16 -11.459 -6.219 -3.368 146 2HD1 LEU 16 HD22 LEU 16 -10.047 -6.224 -2.311 147 3HD1 LEU 16 HD23 LEU 16 -10.998 -4.751 -2.507 148 1HD2 LEU 16 HD11 LEU 16 -11.692 -8.278 -0.675 149 2HD2 LEU 16 HD12 LEU 16 -11.358 -7.103 0.595 150 3HD2 LEU 16 HD13 LEU 16 -10.190 -7.355 -0.702 151 H SER 17 HN SER 17 -15.417 -4.453 1.676 152 HA SER 17 HA SER 17 -15.454 -1.842 1.850 153 1HB SER 17 HB1 SER 17 -16.144 -3.662 4.168 154 2HB SER 17 HB2 SER 17 -16.667 -1.985 4.022 155 HG SER 17 HG SER 17 -17.828 -4.122 3.019 156 H VAL 18 HN VAL 18 -13.427 -0.890 1.909 157 HA VAL 18 HA VAL 18 -11.675 -1.168 4.147 158 HB VAL 18 HB VAL 18 -10.313 0.516 3.121 159 1HG1 VAL 18 HG21 VAL 18 -11.568 -1.358 1.128 160 2HG1 VAL 18 HG22 VAL 18 -10.110 -1.614 2.084 161 3HG1 VAL 18 HG23 VAL 18 -10.118 -0.408 0.798 162 1HG2 VAL 18 HG11 VAL 18 -12.812 1.478 2.104 163 2HG2 VAL 18 HG12 VAL 18 -11.686 1.226 0.769 164 3HG2 VAL 18 HG13 VAL 18 -11.236 2.271 2.117 165 H GLU 19 HN GLU 19 -14.479 0.671 3.541 166 HA GLU 19 HA GLU 19 -14.055 3.026 4.932 167 1HB GLU 19 HB2 GLU 19 -16.563 2.849 5.431 168 2HB GLU 19 HB1 GLU 19 -16.076 2.832 3.741 169 1HG GLU 19 HG1 GLU 19 -17.130 0.917 3.449 170 2HG GLU 19 HG2 GLU 19 -16.095 0.153 4.656 171 H LYS 20 HN LYS 20 -14.368 -0.202 6.122 172 HA LYS 20 HA LYS 20 -14.725 0.756 8.870 173 1HB LYS 20 HB1 LYS 20 -14.842 -1.869 9.221 174 2HB LYS 20 HB2 LYS 20 -16.235 -0.949 8.674 175 1HG LYS 20 HG1 LYS 20 -15.770 -1.578 6.373 176 2HG LYS 20 HG2 LYS 20 -14.336 -2.465 6.896 177 1HD LYS 20 HD2 LYS 20 -16.492 -3.387 8.466 178 2HD LYS 20 HD1 LYS 20 -17.056 -3.340 6.794 179 1HE LYS 20 HE1 LYS 20 -15.595 -4.944 6.110 180 2HE LYS 20 HE2 LYS 20 -14.365 -4.476 7.283 181 1HZ LYS 20 HZ1 LYS 20 -15.064 -6.458 8.140 182 2HZ LYS 20 HZ2 LYS 20 -16.662 -6.269 7.617 183 3HZ LYS 20 HZ3 LYS 20 -16.104 -5.409 8.962 184 H TRP 21 HN TRP 21 -12.212 0.036 6.824 185 HA TRP 21 HA TRP 21 -10.544 -1.304 8.782 186 1HB TRP 21 HB2 TRP 21 -9.749 -0.190 6.085 187 2HB TRP 21 HB1 TRP 21 -8.860 -1.356 7.055 188 HD1 TRP 21 HD1 TRP 21 -12.346 -2.415 7.228 189 HE1 TRP 21 HE1 TRP 21 -12.850 -4.257 5.507 190 HE3 TRP 21 HE3 TRP 21 -8.171 -1.967 4.309 191 HZ2 TRP 21 HZ2 TRP 21 -11.635 -5.382 3.218 192 HZ3 TRP 21 HZ3 TRP 21 -7.915 -3.464 2.375 193 HH2 TRP 21 HH2 TRP 21 -9.616 -5.136 1.840 194 HA PRO 22 HA PRO 22 -8.429 2.046 10.704 195 1HB PRO 22 HB2 PRO 22 -5.926 1.134 9.359 196 2HB PRO 22 HB1 PRO 22 -6.219 1.495 11.063 197 1HG PRO 22 HG2 PRO 22 -6.068 -1.025 10.193 198 2HG PRO 22 HG1 PRO 22 -7.209 -0.555 11.464 199 1HD PRO 22 HD2 PRO 22 -7.713 -1.210 8.608 200 2HD PRO 22 HD1 PRO 22 -8.761 -1.439 10.021 201 H ILE 23 HN ILE 23 -6.901 3.911 10.209 202 HA ILE 23 HA ILE 23 -7.064 4.711 7.382 203 HB ILE 23 HB ILE 23 -7.507 6.659 9.633 204 1HG1 ILE 23 HG12 ILE 23 -9.288 4.935 9.667 205 2HG1 ILE 23 HG11 ILE 23 -9.900 6.519 9.204 206 1HG2 ILE 23 HG21 ILE 23 -7.534 6.749 6.674 207 2HG2 ILE 23 HG22 ILE 23 -7.010 7.961 7.843 208 3HG2 ILE 23 HG23 ILE 23 -8.729 7.731 7.523 209 1HD1 ILE 23 HD11 ILE 23 -10.482 4.246 7.906 210 2HD1 ILE 23 HD12 ILE 23 -9.076 4.780 6.983 211 3HD1 ILE 23 HD13 ILE 23 -10.479 5.837 7.146 212 H TRP 24 HN TRP 24 -5.221 5.544 6.577 213 HA TRP 24 HA TRP 24 -3.120 6.313 8.491 214 1HB TRP 24 HB1 TRP 24 -2.991 4.023 7.103 215 2HB TRP 24 HB2 TRP 24 -2.303 5.109 5.898 216 HD1 TRP 24 HD1 TRP 24 -1.725 4.949 9.740 217 HE1 TRP 24 HE1 TRP 24 0.812 4.817 10.146 218 HE3 TRP 24 HE3 TRP 24 -0.128 4.822 4.884 219 HZ2 TRP 24 HZ2 TRP 24 3.176 4.680 8.615 220 HZ3 TRP 24 HZ3 TRP 24 2.289 4.690 4.442 221 HH2 TRP 24 HH2 TRP 24 3.905 4.621 6.270 222 H GLU 25 HN GLU 25 -2.073 8.160 8.107 223 HA GLU 25 HA GLU 25 -2.452 9.472 5.497 224 1HB GLU 25 HB1 GLU 25 -2.242 11.636 6.962 225 2HB GLU 25 HB2 GLU 25 -3.792 10.818 6.817 226 1HG GLU 25 HG2 GLU 25 -3.599 11.295 9.083 227 2HG GLU 25 HG1 GLU 25 -3.151 9.594 8.958 228 H LYS 26 HN LYS 26 -0.615 10.164 4.532 229 HA LYS 26 HA LYS 26 1.797 10.455 6.175 230 1HB LYS 26 HB2 LYS 26 1.821 8.182 5.262 231 2HB LYS 26 HB1 LYS 26 1.626 8.823 3.636 232 1HG LYS 26 HG1 LYS 26 3.893 8.369 3.768 233 2HG LYS 26 HG2 LYS 26 3.809 10.100 4.105 234 1HD LYS 26 HD2 LYS 26 3.819 9.545 6.542 235 2HD LYS 26 HD1 LYS 26 4.116 7.861 6.101 236 1HE LYS 26 HE2 LYS 26 6.283 8.241 5.758 237 2HE LYS 26 HE1 LYS 26 5.947 9.657 4.761 238 1HZ LYS 26 HZ1 LYS 26 6.052 11.060 6.558 239 2HZ LYS 26 HZ2 LYS 26 7.226 9.918 6.980 240 3HZ LYS 26 HZ3 LYS 26 5.690 9.850 7.684 241 H GLU 27 HN GLU 27 3.292 11.902 5.474 242 HA GLU 27 HA GLU 27 2.419 13.800 3.446 243 1HB GLU 27 HB1 GLU 27 4.463 15.079 4.256 244 2HB GLU 27 HB2 GLU 27 3.185 14.841 5.439 245 1HG GLU 27 HG1 GLU 27 4.410 13.102 6.520 246 2HG GLU 27 HG2 GLU 27 5.626 13.096 5.243 247 H VAL 28 HN VAL 28 3.886 14.590 1.834 248 HA VAL 28 HA VAL 28 4.887 12.521 0.247 249 HB VAL 28 HB VAL 28 5.518 14.195 -1.300 250 1HG1 VAL 28 HG21 VAL 28 3.091 13.903 -0.743 251 2HG1 VAL 28 HG22 VAL 28 3.515 15.412 -1.547 252 3HG1 VAL 28 HG23 VAL 28 3.210 15.391 0.190 253 1HG2 VAL 28 HG11 VAL 28 6.610 16.028 -0.673 254 2HG2 VAL 28 HG12 VAL 28 6.218 15.708 1.016 255 3HG2 VAL 28 HG13 VAL 28 5.113 16.655 0.017 256 H SER 29 HN SER 29 6.362 12.035 2.536 257 HA SER 29 HA SER 29 9.036 13.114 2.075 258 1HB SER 29 HB1 SER 29 8.300 11.184 4.268 259 2HB SER 29 HB2 SER 29 9.615 12.359 4.228 260 HG SER 29 HG SER 29 7.991 14.006 4.310 261 H GLU 30 HN GLU 30 10.470 10.905 3.075 262 HA GLU 30 HA GLU 30 9.816 8.640 1.369 263 1HB GLU 30 HB2 GLU 30 12.649 9.598 1.274 264 2HB GLU 30 HB1 GLU 30 11.770 8.603 0.123 265 1HG GLU 30 HG1 GLU 30 11.877 10.518 -1.074 266 2HG GLU 30 HG2 GLU 30 10.386 10.837 -0.191 267 H PHE 31 HN PHE 31 10.076 6.827 2.530 268 HA PHE 31 HA PHE 31 11.991 6.890 4.767 269 1HB PHE 31 HB2 PHE 31 10.297 5.268 5.875 270 2HB PHE 31 HB1 PHE 31 9.951 6.994 5.881 271 HD1 PHE 31 HD1 PHE 31 8.645 3.815 5.221 272 HD2 PHE 31 HD2 PHE 31 8.521 7.840 3.845 273 HE1 PHE 31 HE1 PHE 31 6.470 3.380 4.157 274 HE2 PHE 31 HE2 PHE 31 6.345 7.414 2.780 275 HZ PHE 31 HZ PHE 31 5.315 5.181 2.936 276 H ASP 32 HN ASP 32 13.013 4.974 5.340 277 HA ASP 32 HA ASP 32 12.941 2.860 3.289 278 1HB ASP 32 HB1 ASP 32 15.125 4.278 4.033 279 2HB ASP 32 HB2 ASP 32 15.210 2.959 5.198 280 H TRP 33 HN TRP 33 11.349 1.558 4.136 281 HA TRP 33 HA TRP 33 11.734 0.631 6.899 282 1HB TRP 33 HB2 TRP 33 9.663 1.755 6.789 283 2HB TRP 33 HB1 TRP 33 9.261 1.042 5.232 284 HD1 TRP 33 HD1 TRP 33 9.656 -0.107 8.922 285 HE1 TRP 33 HE1 TRP 33 7.982 -2.022 9.324 286 HE3 TRP 33 HE3 TRP 33 7.783 -0.551 4.192 287 HZ2 TRP 33 HZ2 TRP 33 6.112 -3.522 7.828 288 HZ3 TRP 33 HZ3 TRP 33 6.056 -2.245 3.758 289 HH2 TRP 33 HH2 TRP 33 5.240 -3.701 5.539 290 H TYR 34 HN TYR 34 11.089 -1.543 7.409 291 HA TYR 34 HA TYR 34 11.512 -3.426 5.184 292 1HB TYR 34 HB2 TYR 34 13.463 -3.586 6.492 293 2HB TYR 34 HB1 TYR 34 12.576 -3.413 8.000 294 HD1 TYR 34 HD1 TYR 34 12.952 -5.770 5.129 295 HD2 TYR 34 HD2 TYR 34 12.143 -5.290 9.278 296 HE1 TYR 34 HE1 TYR 34 12.948 -8.213 5.406 297 HE2 TYR 34 HE2 TYR 34 12.134 -7.731 9.564 298 HH TYR 34 HH TYR 34 13.369 -9.767 8.046 299 H TYR 35 HN TYR 35 10.173 -5.194 5.061 300 HA TYR 35 HA TYR 35 7.701 -5.015 6.537 301 1HB TYR 35 HB2 TYR 35 8.532 -6.073 4.028 302 2HB TYR 35 HB1 TYR 35 7.796 -7.374 4.941 303 HD1 TYR 35 HD1 TYR 35 7.213 -4.482 2.960 304 HD2 TYR 35 HD2 TYR 35 5.473 -6.987 5.920 305 HE1 TYR 35 HE1 TYR 35 4.995 -3.633 2.361 306 HE2 TYR 35 HE2 TYR 35 3.241 -6.144 5.329 307 HH TYR 35 HH TYR 35 2.137 -5.105 3.329 308 H ASP 36 HN ASP 36 6.789 -6.614 7.847 309 HA ASP 36 HA ASP 36 8.380 -8.928 8.579 310 1HB ASP 36 HB1 ASP 36 8.893 -6.716 10.008 311 2HB ASP 36 HB2 ASP 36 7.495 -7.304 10.904 312 H THR 37 HN THR 37 5.597 -8.081 7.529 313 HA THR 37 HA THR 37 4.163 -10.214 8.739 314 HB THR 37 HB THR 37 3.099 -7.440 9.313 315 HG1 THR 37 HG1 THR 37 4.039 -7.536 11.181 316 1HG2 THR 37 HG21 THR 37 1.380 -9.184 9.052 317 2HG2 THR 37 HG22 THR 37 1.450 -8.497 10.674 318 3HG2 THR 37 HG23 THR 37 2.145 -10.087 10.359 319 H ASN 38 HN ASN 38 2.603 -10.931 7.369 320 HA ASN 38 HA ASN 38 2.367 -9.865 4.777 321 1HB ASN 38 HB2 ASN 38 0.775 -11.873 6.350 322 2HB ASN 38 HB1 ASN 38 0.221 -11.348 4.762 323 1HD2 ASN 38 HD21 ASN 38 1.019 -12.329 3.034 324 2HD2 ASN 38 HD22 ASN 38 2.379 -13.395 3.024 325 H GLU 39 HN GLU 39 1.537 -7.923 4.335 326 HA GLU 39 HA GLU 39 -0.895 -7.105 5.786 327 1HB GLU 39 HB1 GLU 39 0.882 -5.728 6.557 328 2HB GLU 39 HB2 GLU 39 1.500 -5.490 4.931 329 1HG GLU 39 HG2 GLU 39 -0.057 -3.908 4.410 330 2HG GLU 39 HG1 GLU 39 -1.240 -4.538 5.554 331 H THR 40 HN THR 40 -2.416 -5.838 4.710 332 HA THR 40 HA THR 40 -2.162 -5.546 1.813 333 HB THR 40 HB THR 40 -4.557 -6.815 3.160 334 HG1 THR 40 HG1 THR 40 -3.322 -8.507 2.932 335 1HG2 THR 40 HG21 THR 40 -4.157 -5.729 0.465 336 2HG2 THR 40 HG22 THR 40 -5.640 -5.991 1.383 337 3HG2 THR 40 HG23 THR 40 -4.871 -7.340 0.545 338 H CYS 41 HN CYS 41 -2.472 -3.447 1.431 339 HA CYS 41 HA CYS 41 -4.454 -2.006 3.075 340 1HB CYS 41 HB2 CYS 41 -2.871 0.014 2.420 341 2HB CYS 41 HB1 CYS 41 -2.556 -0.987 3.832 342 HG CYS 41 HG CYS 41 -0.923 -1.079 1.196 343 H TYR 42 HN TYR 42 -5.380 -0.094 2.044 344 HA TYR 42 HA TYR 42 -5.534 -0.349 -0.883 345 1HB TYR 42 HB1 TYR 42 -7.627 -1.119 -0.257 346 2HB TYR 42 HB2 TYR 42 -7.678 -0.123 1.190 347 HD1 TYR 42 HD1 TYR 42 -8.092 2.383 0.897 348 HD2 TYR 42 HD2 TYR 42 -8.746 -0.450 -2.214 349 HE1 TYR 42 HE1 TYR 42 -9.542 3.996 -0.263 350 HE2 TYR 42 HE2 TYR 42 -10.189 1.153 -3.379 351 HH TYR 42 HH TYR 42 -10.244 4.089 -3.160 352 H ILE 43 HN ILE 43 -4.881 1.420 -1.930 353 HA ILE 43 HA ILE 43 -4.278 3.854 -0.564 354 HB ILE 43 HB ILE 43 -4.414 3.261 -3.516 355 1HG1 ILE 43 HG11 ILE 43 -2.668 2.112 -2.011 356 2HG1 ILE 43 HG12 ILE 43 -2.090 2.935 -3.456 357 1HG2 ILE 43 HG21 ILE 43 -2.951 5.370 -3.637 358 2HG2 ILE 43 HG22 ILE 43 -3.621 5.748 -2.049 359 3HG2 ILE 43 HG23 ILE 43 -4.692 5.569 -3.439 360 1HD1 ILE 43 HD11 ILE 43 -1.017 4.550 -2.280 361 2HD1 ILE 43 HD12 ILE 43 -0.926 3.233 -1.106 362 3HD1 ILE 43 HD13 ILE 43 -2.156 4.484 -0.934 363 H LEU 44 HN LEU 44 -5.426 5.688 -0.416 364 HA LEU 44 HA LEU 44 -8.144 5.652 -1.539 365 1HB LEU 44 HB2 LEU 44 -7.969 5.567 0.923 366 2HB LEU 44 HB1 LEU 44 -7.107 7.093 0.898 367 HG LEU 44 HG LEU 44 -9.769 7.050 -0.402 368 1HD1 LEU 44 HD11 LEU 44 -10.939 7.296 1.712 369 2HD1 LEU 44 HD12 LEU 44 -9.436 7.025 2.596 370 3HD1 LEU 44 HD13 LEU 44 -10.141 5.725 1.635 371 1HD2 LEU 44 HD21 LEU 44 -8.793 9.131 -0.452 372 2HD2 LEU 44 HD22 LEU 44 -8.061 8.943 1.142 373 3HD2 LEU 44 HD23 LEU 44 -9.794 9.237 0.996 374 H GLU 45 HN GLU 45 -5.192 7.431 -1.217 375 HA GLU 45 HA GLU 45 -5.573 8.986 -3.472 376 1HB GLU 45 HB2 GLU 45 -6.024 11.194 -2.619 377 2HB GLU 45 HB1 GLU 45 -7.309 10.117 -2.095 378 1HG GLU 45 HG2 GLU 45 -6.871 10.454 0.059 379 2HG GLU 45 HG1 GLU 45 -5.131 10.309 -0.176 380 H GLY 46 HN GLY 46 -3.637 9.888 -4.075 381 1HA GLY 46 HA2 GLY 46 -1.604 11.077 -3.116 382 2HA GLY 46 HA1 GLY 46 -1.481 9.673 -2.069 383 H LYS 47 HN LYS 47 0.702 10.193 -3.440 384 HA LYS 47 HA LYS 47 0.731 8.113 -5.513 385 1HB LYS 47 HB1 LYS 47 1.170 10.890 -5.933 386 2HB LYS 47 HB2 LYS 47 2.717 10.077 -6.122 387 1HG LYS 47 HG1 LYS 47 1.011 8.454 -7.528 388 2HG LYS 47 HG2 LYS 47 0.376 10.072 -7.847 389 1HD LYS 47 HD1 LYS 47 1.946 9.765 -9.539 390 2HD LYS 47 HD2 LYS 47 2.825 10.703 -8.330 391 1HE LYS 47 HE1 LYS 47 4.169 8.952 -7.744 392 2HE LYS 47 HE2 LYS 47 2.955 7.742 -8.154 393 1HZ LYS 47 HZ1 LYS 47 4.960 9.004 -9.842 394 2HZ LYS 47 HZ2 LYS 47 3.453 8.723 -10.558 395 3HZ LYS 47 HZ3 LYS 47 4.330 7.436 -9.898 396 H VAL 48 HN VAL 48 2.157 6.576 -5.082 397 HA VAL 48 HA VAL 48 4.593 7.283 -3.596 398 HB VAL 48 HB VAL 48 2.656 5.071 -2.943 399 1HG1 VAL 48 HG21 VAL 48 5.579 5.165 -2.200 400 2HG1 VAL 48 HG22 VAL 48 4.734 3.888 -3.077 401 3HG1 VAL 48 HG23 VAL 48 4.384 4.169 -1.370 402 1HG2 VAL 48 HG11 VAL 48 3.046 5.924 -0.637 403 2HG2 VAL 48 HG12 VAL 48 2.331 7.109 -1.732 404 3HG2 VAL 48 HG13 VAL 48 4.047 7.201 -1.331 405 H GLU 49 HN GLU 49 6.425 6.364 -4.312 406 HA GLU 49 HA GLU 49 6.206 4.355 -6.457 407 1HB GLU 49 HB1 GLU 49 8.458 6.341 -6.139 408 2HB GLU 49 HB2 GLU 49 8.146 5.283 -7.509 409 1HG GLU 49 HG1 GLU 49 6.145 6.529 -8.057 410 2HG GLU 49 HG2 GLU 49 6.367 7.550 -6.636 411 H VAL 50 HN VAL 50 6.765 2.441 -5.654 412 HA VAL 50 HA VAL 50 8.737 2.321 -3.495 413 HB VAL 50 HB VAL 50 6.801 0.223 -4.483 414 1HG1 VAL 50 HG11 VAL 50 8.589 -0.977 -3.564 415 2HG1 VAL 50 HG12 VAL 50 7.418 -0.853 -2.250 416 3HG1 VAL 50 HG13 VAL 50 8.832 0.202 -2.272 417 1HG2 VAL 50 HG21 VAL 50 6.732 1.824 -1.931 418 2HG2 VAL 50 HG22 VAL 50 5.519 0.682 -2.510 419 3HG2 VAL 50 HG23 VAL 50 5.782 2.200 -3.369 420 H THR 51 HN THR 51 10.672 1.417 -3.702 421 HA THR 51 HA THR 51 11.225 -0.242 -6.065 422 HB THR 51 HB THR 51 13.142 1.780 -4.886 423 HG1 THR 51 HG1 THR 51 11.614 2.909 -6.010 424 1HG2 THR 51 HG21 THR 51 14.747 0.965 -6.171 425 2HG2 THR 51 HG22 THR 51 13.682 0.883 -7.575 426 3HG2 THR 51 HG23 THR 51 13.718 -0.447 -6.417 427 H THR 52 HN THR 52 11.665 -2.228 -5.359 428 HA THR 52 HA THR 52 12.623 -2.633 -2.653 429 HB THR 52 HB THR 52 12.034 -4.893 -2.912 430 HG1 THR 52 HG1 THR 52 12.228 -5.952 -4.726 431 1HG2 THR 52 HG21 THR 52 10.148 -3.035 -3.467 432 2HG2 THR 52 HG22 THR 52 9.839 -4.759 -3.268 433 3HG2 THR 52 HG23 THR 52 10.036 -4.079 -4.883 434 H GLU 53 HN GLU 53 14.572 -3.450 -2.049 435 HA GLU 53 HA GLU 53 16.833 -2.919 -3.551 436 1HB GLU 53 HB1 GLU 53 16.685 -5.088 -1.458 437 2HB GLU 53 HB2 GLU 53 18.079 -4.113 -1.898 438 1HG GLU 53 HG2 GLU 53 16.259 -2.218 -1.146 439 2HG GLU 53 HG1 GLU 53 15.902 -3.549 -0.046 440 H ASP 54 HN ASP 54 14.911 -5.851 -3.364 441 HA ASP 54 HA ASP 54 16.606 -7.655 -4.618 442 1HB ASP 54 HB2 ASP 54 13.593 -7.438 -4.834 443 2HB ASP 54 HB1 ASP 54 14.539 -8.850 -5.297 444 H GLY 55 HN GLY 55 14.659 -5.079 -5.960 445 1HA GLY 55 HA1 GLY 55 15.590 -4.107 -8.040 446 2HA GLY 55 HA2 GLY 55 15.722 -5.754 -8.633 447 H LYS 56 HN LYS 56 12.950 -4.737 -6.787 448 HA LYS 56 HA LYS 56 11.328 -4.928 -9.234 449 1HB LYS 56 HB1 LYS 56 10.183 -5.185 -6.472 450 2HB LYS 56 HB2 LYS 56 9.575 -5.826 -7.989 451 1HG LYS 56 HG1 LYS 56 12.068 -7.028 -7.624 452 2HG LYS 56 HG2 LYS 56 11.286 -7.056 -6.042 453 1HD LYS 56 HD2 LYS 56 10.005 -8.748 -6.698 454 2HD LYS 56 HD1 LYS 56 9.346 -7.752 -7.997 455 1HE LYS 56 HE1 LYS 56 11.189 -8.404 -9.450 456 2HE LYS 56 HE2 LYS 56 11.885 -9.371 -8.151 457 1HZ LYS 56 HZ1 LYS 56 9.556 -10.503 -8.205 458 2HZ LYS 56 HZ2 LYS 56 10.742 -10.946 -9.327 459 3HZ LYS 56 HZ3 LYS 56 9.500 -9.891 -9.781 460 H LYS 57 HN LYS 57 9.093 -3.727 -8.778 461 HA LYS 57 HA LYS 57 9.403 -1.237 -7.361 462 1HB LYS 57 HB1 LYS 57 10.381 -1.209 -9.885 463 2HB LYS 57 HB2 LYS 57 8.703 -0.791 -10.199 464 1HG LYS 57 HG2 LYS 57 8.833 1.144 -8.845 465 2HG LYS 57 HG1 LYS 57 10.394 0.655 -8.181 466 1HD LYS 57 HD1 LYS 57 9.852 1.398 -11.055 467 2HD LYS 57 HD2 LYS 57 10.652 2.417 -9.859 468 1HE LYS 57 HE2 LYS 57 12.593 1.494 -10.413 469 2HE LYS 57 HE1 LYS 57 11.992 -0.059 -9.834 470 1HZ LYS 57 HZ1 LYS 57 12.315 -0.692 -11.940 471 2HZ LYS 57 HZ2 LYS 57 12.336 0.889 -12.539 472 3HZ LYS 57 HZ3 LYS 57 10.861 0.109 -12.264 473 H TYR 58 HN TYR 58 7.481 -0.521 -6.655 474 HA TYR 58 HA TYR 58 5.059 -1.549 -7.975 475 1HB TYR 58 HB2 TYR 58 5.054 -1.076 -5.024 476 2HB TYR 58 HB1 TYR 58 4.074 -2.181 -5.981 477 HD1 TYR 58 HD1 TYR 58 5.726 -3.959 -7.310 478 HD2 TYR 58 HD2 TYR 58 6.448 -2.131 -3.536 479 HE1 TYR 58 HE1 TYR 58 7.219 -5.818 -6.701 480 HE2 TYR 58 HE2 TYR 58 7.942 -3.983 -2.916 481 HH TYR 58 HH TYR 58 9.197 -5.726 -3.843 482 H VAL 59 HN VAL 59 4.032 0.117 -8.838 483 HA VAL 59 HA VAL 59 4.128 2.725 -7.496 484 HB VAL 59 HB VAL 59 3.280 3.679 -9.569 485 1HG1 VAL 59 HG11 VAL 59 5.685 3.437 -9.348 486 2HG1 VAL 59 HG12 VAL 59 5.200 3.200 -11.028 487 3HG1 VAL 59 HG13 VAL 59 5.603 1.808 -10.021 488 1HG2 VAL 59 HG21 VAL 59 2.803 0.845 -10.221 489 2HG2 VAL 59 HG22 VAL 59 3.405 1.848 -11.541 490 3HG2 VAL 59 HG23 VAL 59 1.915 2.290 -10.707 491 H ILE 60 HN ILE 60 2.503 3.120 -6.156 492 HA ILE 60 HA ILE 60 -0.160 2.025 -6.805 493 HB ILE 60 HB ILE 60 -0.544 2.150 -4.299 494 1HG1 ILE 60 HG11 ILE 60 2.367 1.899 -3.860 495 2HG1 ILE 60 HG12 ILE 60 1.806 3.518 -4.268 496 1HG2 ILE 60 HG21 ILE 60 -0.173 0.047 -5.501 497 2HG2 ILE 60 HG22 ILE 60 0.531 0.004 -3.884 498 3HG2 ILE 60 HG23 ILE 60 1.568 0.239 -5.292 499 1HD1 ILE 60 HD11 ILE 60 1.904 2.550 -1.767 500 2HD1 ILE 60 HD12 ILE 60 0.246 2.132 -2.204 501 3HD1 ILE 60 HD13 ILE 60 0.786 3.808 -2.295 502 H GLU 61 HN GLU 61 -1.558 3.582 -7.361 503 HA GLU 61 HA GLU 61 -1.496 6.095 -5.864 504 1HB GLU 61 HB2 GLU 61 -0.256 6.251 -8.092 505 2HB GLU 61 HB1 GLU 61 -1.833 6.080 -8.854 506 1HG GLU 61 HG1 GLU 61 -2.597 8.070 -7.585 507 2HG GLU 61 HG2 GLU 61 -0.948 8.267 -6.991 508 H LYS 62 HN LYS 62 -3.352 6.968 -5.387 509 HA LYS 62 HA LYS 62 -5.611 6.779 -4.821 510 1HB LYS 62 HB2 LYS 62 -4.905 8.358 -6.939 511 2HB LYS 62 HB1 LYS 62 -6.245 7.438 -7.608 512 1HG LYS 62 HG2 LYS 62 -6.244 9.289 -5.253 513 2HG LYS 62 HG1 LYS 62 -7.206 9.377 -6.727 514 1HD LYS 62 HD1 LYS 62 -8.261 7.185 -5.999 515 2HD LYS 62 HD2 LYS 62 -7.495 7.456 -4.432 516 1HE LYS 62 HE1 LYS 62 -8.669 9.548 -4.174 517 2HE LYS 62 HE2 LYS 62 -9.365 9.391 -5.786 518 1HZ LYS 62 HZ1 LYS 62 -9.943 7.081 -4.282 519 2HZ LYS 62 HZ2 LYS 62 -11.017 8.204 -4.949 520 3HZ LYS 62 HZ3 LYS 62 -10.402 8.443 -3.392 521 H GLY 63 HN GLY 63 -6.764 5.040 -4.413 522 1HA GLY 63 HA2 GLY 63 -8.308 3.374 -4.751 523 2HA GLY 63 HA1 GLY 63 -8.455 3.950 -6.402 524 H ASP 64 HN ASP 64 -5.770 2.460 -4.611 525 HA ASP 64 HA ASP 64 -5.951 0.098 -6.287 526 1HB ASP 64 HB1 ASP 64 -3.692 0.197 -7.100 527 2HB ASP 64 HB2 ASP 64 -4.482 1.714 -7.521 528 H LEU 65 HN LEU 65 -5.266 -1.724 -5.262 529 HA LEU 65 HA LEU 65 -4.004 -1.349 -2.632 530 1HB LEU 65 HB2 LEU 65 -5.156 -3.530 -2.034 531 2HB LEU 65 HB1 LEU 65 -6.140 -2.091 -2.149 532 HG LEU 65 HG LEU 65 -7.069 -2.773 -4.226 533 1HD1 LEU 65 HD11 LEU 65 -5.367 -3.732 -5.467 534 2HD1 LEU 65 HD12 LEU 65 -6.387 -5.119 -5.079 535 3HD1 LEU 65 HD13 LEU 65 -4.904 -4.833 -4.168 536 1HD2 LEU 65 HD21 LEU 65 -7.577 -3.982 -1.882 537 2HD2 LEU 65 HD22 LEU 65 -7.152 -5.384 -2.866 538 3HD2 LEU 65 HD23 LEU 65 -8.466 -4.321 -3.368 539 H VAL 66 HN VAL 66 -2.456 -2.872 -1.951 540 HA VAL 66 HA VAL 66 -1.480 -4.679 -4.040 541 HB VAL 66 HB VAL 66 0.241 -2.736 -2.505 542 1HG1 VAL 66 HG21 VAL 66 1.650 -4.544 -2.778 543 2HG1 VAL 66 HG22 VAL 66 1.954 -3.626 -4.251 544 3HG1 VAL 66 HG23 VAL 66 0.900 -5.037 -4.294 545 1HG2 VAL 66 HG11 VAL 66 -0.733 -1.454 -4.148 546 2HG2 VAL 66 HG12 VAL 66 -0.840 -2.797 -5.284 547 3HG2 VAL 66 HG13 VAL 66 0.718 -2.034 -4.966 548 H THR 67 HN THR 67 -0.165 -6.382 -3.385 549 HA THR 67 HA THR 67 -0.612 -7.211 -0.607 550 HB THR 67 HB THR 67 0.110 -8.736 -3.115 551 HG1 THR 67 HG1 THR 67 -2.139 -8.784 -1.390 552 1HG2 THR 67 HG21 THR 67 1.300 -9.753 -1.235 553 2HG2 THR 67 HG22 THR 67 0.007 -10.788 -1.842 554 3HG2 THR 67 HG23 THR 67 -0.221 -9.878 -0.350 555 H PHE 68 HN PHE 68 1.113 -7.839 0.708 556 HA PHE 68 HA PHE 68 3.799 -7.450 -0.393 557 1HB PHE 68 HB2 PHE 68 2.794 -6.197 2.165 558 2HB PHE 68 HB1 PHE 68 4.437 -6.088 1.540 559 HD1 PHE 68 HD1 PHE 68 1.422 -4.409 1.791 560 HD2 PHE 68 HD2 PHE 68 4.545 -5.213 -0.984 561 HE1 PHE 68 HE1 PHE 68 0.794 -2.403 0.511 562 HE2 PHE 68 HE2 PHE 68 3.925 -3.209 -2.270 563 HZ PHE 68 HZ PHE 68 2.025 -1.832 -1.561 564 HA PRO 69 HA PRO 69 4.400 -11.135 2.047 565 1HB PRO 69 HB1 PRO 69 6.859 -11.745 1.208 566 2HB PRO 69 HB2 PRO 69 5.476 -11.842 0.113 567 1HG PRO 69 HG1 PRO 69 7.573 -9.727 0.338 568 2HG PRO 69 HG2 PRO 69 6.821 -10.409 -1.115 569 1HD PRO 69 HD2 PRO 69 6.103 -8.011 0.084 570 2HD PRO 69 HD1 PRO 69 5.085 -8.941 -1.029 571 H LYS 70 HN LYS 70 5.467 -11.789 3.895 572 HA LYS 70 HA LYS 70 6.446 -9.873 5.657 573 1HB LYS 70 HB1 LYS 70 6.023 -12.705 5.652 574 2HB LYS 70 HB2 LYS 70 7.606 -12.376 6.343 575 1HG LYS 70 HG2 LYS 70 6.582 -10.834 7.941 576 2HG LYS 70 HG1 LYS 70 4.995 -11.188 7.257 577 1HD LYS 70 HD2 LYS 70 4.844 -12.838 8.747 578 2HD LYS 70 HD1 LYS 70 6.074 -13.684 7.803 579 1HE LYS 70 HE1 LYS 70 7.770 -12.342 9.182 580 2HE LYS 70 HE2 LYS 70 6.420 -12.003 10.264 581 1HZ LYS 70 HZ1 LYS 70 6.102 -14.393 10.534 582 2HZ LYS 70 HZ2 LYS 70 7.653 -13.922 11.015 583 3HZ LYS 70 HZ3 LYS 70 7.428 -14.697 9.529 584 H GLY 71 HN GLY 71 8.366 -8.897 5.880 585 1HA GLY 71 HA2 GLY 71 10.735 -8.860 5.929 586 2HA GLY 71 HA1 GLY 71 10.754 -10.195 4.790 587 H LEU 72 HN LEU 72 8.633 -8.514 3.234 588 HA LEU 72 HA LEU 72 10.207 -7.652 1.184 589 1HB LEU 72 HB2 LEU 72 7.894 -7.763 0.803 590 2HB LEU 72 HB1 LEU 72 7.528 -6.700 2.146 591 HG LEU 72 HG LEU 72 8.108 -4.772 0.937 592 1HD1 LEU 72 HD11 LEU 72 10.032 -4.891 -0.197 593 2HD1 LEU 72 HD12 LEU 72 9.031 -5.406 -1.554 594 3HD1 LEU 72 HD13 LEU 72 9.832 -6.610 -0.545 595 1HD2 LEU 72 HD21 LEU 72 6.885 -6.617 -1.108 596 2HD2 LEU 72 HD22 LEU 72 6.750 -4.860 -1.044 597 3HD2 LEU 72 HD23 LEU 72 6.001 -5.847 0.211 598 H ARG 73 HN ARG 73 12.087 -6.593 1.858 599 HA ARG 73 HA ARG 73 11.853 -4.054 3.254 600 1HB ARG 73 HB1 ARG 73 13.755 -5.943 3.371 601 2HB ARG 73 HB2 ARG 73 14.446 -4.944 2.100 602 1HG ARG 73 HG1 ARG 73 13.655 -3.166 4.112 603 2HG ARG 73 HG2 ARG 73 14.426 -4.523 4.935 604 1HD ARG 73 HD2 ARG 73 15.598 -2.888 2.690 605 2HD ARG 73 HD1 ARG 73 16.070 -2.826 4.387 606 HE ARG 73 HE ARG 73 16.931 -4.719 2.443 607 1HH1 ARG 73 HH12 ARG 73 16.184 -4.339 5.824 608 2HH1 ARG 73 HH11 ARG 73 17.231 -5.622 6.332 609 1HH2 ARG 73 HH22 ARG 73 18.311 -6.409 3.101 610 2HH2 ARG 73 HH21 ARG 73 18.440 -6.798 4.784 611 H CYS 74 HN CYS 74 11.412 -2.249 2.164 612 HA CYS 74 HA CYS 74 12.822 -1.686 -0.308 613 1HB CYS 74 HB2 CYS 74 10.731 -1.106 -1.528 614 2HB CYS 74 HB1 CYS 74 10.878 -2.826 -1.180 615 HG CYS 74 HG CYS 74 8.754 -0.937 -0.029 616 H ARG 75 HN ARG 75 12.560 0.541 -1.022 617 HA ARG 75 HA ARG 75 12.249 2.328 1.262 618 1HB ARG 75 HB1 ARG 75 14.248 2.353 -0.348 619 2HB ARG 75 HB2 ARG 75 13.158 3.102 -1.506 620 1HG ARG 75 HG2 ARG 75 13.366 4.308 1.199 621 2HG ARG 75 HG1 ARG 75 14.704 4.534 0.071 622 1HD ARG 75 HD2 ARG 75 12.312 4.987 -1.362 623 2HD ARG 75 HD1 ARG 75 12.184 5.868 0.158 624 HE ARG 75 HE ARG 75 13.959 6.438 -2.032 625 1HH1 ARG 75 HH12 ARG 75 13.395 6.814 1.384 626 2HH1 ARG 75 HH11 ARG 75 14.380 8.233 1.521 627 1HH2 ARG 75 HH22 ARG 75 15.257 8.303 -1.863 628 2HH2 ARG 75 HH21 ARG 75 15.439 9.080 -0.326 629 H TRP 76 HN TRP 76 10.749 3.957 1.387 630 HA TRP 76 HA TRP 76 8.643 3.907 -0.668 631 1HB TRP 76 HB2 TRP 76 8.528 4.578 2.275 632 2HB TRP 76 HB1 TRP 76 7.197 4.882 1.164 633 HD1 TRP 76 HD1 TRP 76 9.364 1.813 2.181 634 HE1 TRP 76 HE1 TRP 76 7.813 -0.239 2.273 635 HE3 TRP 76 HE3 TRP 76 4.996 4.030 0.721 636 HZ2 TRP 76 HZ2 TRP 76 5.098 -0.838 1.792 637 HZ3 TRP 76 HZ3 TRP 76 2.966 2.647 0.563 638 HH2 TRP 76 HH2 TRP 76 3.020 0.264 1.086 639 H LYS 77 HN LYS 77 7.786 5.814 -1.466 640 HA LYS 77 HA LYS 77 8.927 8.350 -0.601 641 1HB LYS 77 HB1 LYS 77 8.945 8.240 -3.503 642 2HB LYS 77 HB2 LYS 77 10.204 8.767 -2.398 643 1HG LYS 77 HG2 LYS 77 11.163 6.650 -2.279 644 2HG LYS 77 HG1 LYS 77 9.705 5.855 -2.880 645 1HD LYS 77 HD1 LYS 77 10.066 6.982 -5.071 646 2HD LYS 77 HD2 LYS 77 11.598 7.601 -4.450 647 1HE LYS 77 HE1 LYS 77 11.975 5.033 -3.899 648 2HE LYS 77 HE2 LYS 77 10.836 4.839 -5.231 649 1HZ LYS 77 HZ1 LYS 77 12.536 6.636 -6.246 650 2HZ LYS 77 HZ2 LYS 77 12.682 4.965 -6.470 651 3HZ LYS 77 HZ3 LYS 77 13.585 5.738 -5.269 652 H VAL 78 HN VAL 78 7.210 9.584 -0.264 653 HA VAL 78 HA VAL 78 4.832 9.205 -1.933 654 HB VAL 78 HB VAL 78 5.154 10.663 0.692 655 1HG1 VAL 78 HG11 VAL 78 2.445 10.029 -0.080 656 2HG1 VAL 78 HG12 VAL 78 3.218 11.078 -1.267 657 3HG1 VAL 78 HG13 VAL 78 3.137 11.570 0.424 658 1HG2 VAL 78 HG21 VAL 78 3.487 8.222 0.273 659 2HG2 VAL 78 HG22 VAL 78 4.230 8.836 1.750 660 3HG2 VAL 78 HG23 VAL 78 5.227 8.064 0.517 661 H LEU 79 HN LEU 79 4.401 10.588 -3.505 662 HA LEU 79 HA LEU 79 5.926 13.055 -3.719 663 1HB LEU 79 HB2 LEU 79 3.858 12.341 -5.726 664 2HB LEU 79 HB1 LEU 79 5.456 13.022 -5.962 665 HG LEU 79 HG LEU 79 4.670 10.146 -5.613 666 1HD1 LEU 79 HD11 LEU 79 6.296 11.669 -7.640 667 2HD1 LEU 79 HD12 LEU 79 4.700 10.953 -7.869 668 3HD1 LEU 79 HD13 LEU 79 6.105 9.915 -7.626 669 1HD2 LEU 79 HD21 LEU 79 7.108 11.436 -4.674 670 2HD2 LEU 79 HD22 LEU 79 7.398 10.105 -5.794 671 3HD2 LEU 79 HD23 LEU 79 6.462 9.833 -4.325 672 H GLU 80 HN GLU 80 2.727 11.985 -2.961 673 HA GLU 80 HA GLU 80 1.926 14.743 -2.419 674 1HB GLU 80 HB2 GLU 80 0.796 12.967 -4.478 675 2HB GLU 80 HB1 GLU 80 -0.398 13.728 -3.432 676 1HG GLU 80 HG2 GLU 80 1.737 15.222 -4.938 677 2HG GLU 80 HG1 GLU 80 0.089 14.980 -5.519 678 HA PRO 81 HA PRO 81 0.435 13.378 1.514 679 1HB PRO 81 HB2 PRO 81 -2.107 14.592 0.458 680 2HB PRO 81 HB1 PRO 81 -1.409 14.701 2.081 681 1HG PRO 81 HG2 PRO 81 -1.059 16.689 0.357 682 2HG PRO 81 HG1 PRO 81 0.275 16.165 1.395 683 1HD PRO 81 HD2 PRO 81 -0.118 15.766 -1.519 684 2HD PRO 81 HD1 PRO 81 1.387 15.849 -0.582 685 H VAL 82 HN VAL 82 0.124 11.284 1.800 686 HA VAL 82 HA VAL 82 -1.709 9.888 0.026 687 HB VAL 82 HB VAL 82 0.899 9.367 0.867 688 1HG1 VAL 82 HG21 VAL 82 -0.097 8.286 2.907 689 2HG1 VAL 82 HG22 VAL 82 0.952 7.260 1.928 690 3HG1 VAL 82 HG23 VAL 82 -0.799 7.081 1.826 691 1HG2 VAL 82 HG11 VAL 82 0.213 7.106 -0.424 692 2HG2 VAL 82 HG12 VAL 82 0.552 8.644 -1.218 693 3HG2 VAL 82 HG13 VAL 82 -1.115 8.167 -0.893 694 H ARG 83 HN ARG 83 -3.336 8.604 0.654 695 HA ARG 83 HA ARG 83 -3.910 8.336 3.521 696 1HB ARG 83 HB2 ARG 83 -5.747 9.261 1.338 697 2HB ARG 83 HB1 ARG 83 -6.397 8.382 2.713 698 1HG ARG 83 HG2 ARG 83 -4.640 10.489 3.585 699 2HG ARG 83 HG1 ARG 83 -5.914 11.114 2.537 700 1HD ARG 83 HD2 ARG 83 -7.409 9.531 4.055 701 2HD ARG 83 HD1 ARG 83 -6.104 9.827 5.204 702 HE ARG 83 HE ARG 83 -7.117 12.222 3.992 703 1HH1 ARG 83 HH22 ARG 83 -7.568 9.912 6.559 704 2HH1 ARG 83 HH21 ARG 83 -8.418 11.021 7.583 705 1HH2 ARG 83 HH12 ARG 83 -8.235 13.691 5.332 706 2HH2 ARG 83 HH11 ARG 83 -8.796 13.169 6.886 707 H LYS 84 HN LYS 84 -3.792 6.230 3.975 708 HA LYS 84 HA LYS 84 -4.617 4.325 1.886 709 1HB LYS 84 HB1 LYS 84 -2.246 4.268 2.032 710 2HB LYS 84 HB2 LYS 84 -2.280 4.275 3.788 711 1HG LYS 84 HG2 LYS 84 -3.285 2.015 3.735 712 2HG LYS 84 HG1 LYS 84 -3.097 2.016 1.980 713 1HD LYS 84 HD2 LYS 84 -0.760 2.564 3.775 714 2HD LYS 84 HD1 LYS 84 -1.259 0.909 3.431 715 1HE LYS 84 HE1 LYS 84 -0.739 1.082 1.181 716 2HE LYS 84 HE2 LYS 84 -0.848 2.841 1.190 717 1HZ LYS 84 HZ1 LYS 84 1.296 3.015 1.682 718 2HZ LYS 84 HZ2 LYS 84 1.442 1.365 1.345 719 3HZ LYS 84 HZ3 LYS 84 1.199 1.884 2.936 720 H HIS 85 HN HIS 85 -5.431 2.311 2.538 721 HA HIS 85 HA HIS 85 -6.675 2.333 5.200 722 1HB HIS 85 HB1 HIS 85 -7.549 1.259 2.550 723 2HB HIS 85 HB2 HIS 85 -8.124 0.474 4.017 724 HD1 HIS 85 HD1 HIS 85 -10.172 1.464 5.018 725 HD2 HIS 85 HD2 HIS 85 -8.151 4.164 2.595 726 HE1 HIS 85 HE1 HIS 85 -11.619 3.521 4.953 727 HE2 HIS 85 HE2 HIS 85 -10.377 5.144 3.479 728 H TYR 86 HN TYR 86 -6.905 0.167 6.232 729 HA TYR 86 HA TYR 86 -4.450 -1.388 5.744 730 1HB TYR 86 HB2 TYR 86 -5.877 -0.514 8.220 731 2HB TYR 86 HB1 TYR 86 -4.865 -1.949 8.274 732 HD1 TYR 86 HD1 TYR 86 -3.884 -0.291 10.105 733 HD2 TYR 86 HD2 TYR 86 -3.466 0.224 5.907 734 HE1 TYR 86 HE1 TYR 86 -1.913 1.124 10.475 735 HE2 TYR 86 HE2 TYR 86 -1.505 1.630 6.256 736 HH TYR 86 HH TYR 86 0.310 1.713 8.615 737 H ASN 87 HN ASN 87 -4.369 -3.554 6.151 738 HA ASN 87 HA ASN 87 -6.560 -5.166 6.905 739 1HB ASN 87 HB2 ASN 87 -6.888 -4.330 4.349 740 2HB ASN 87 HB1 ASN 87 -5.915 -5.772 4.078 741 1HD2 ASN 87 HD21 ASN 87 -7.102 -7.464 3.625 742 2HD2 ASN 87 HD22 ASN 87 -8.650 -7.840 4.297 743 H LEU 88 HN LEU 88 -4.324 -5.302 8.072 744 HA LEU 88 HA LEU 88 -2.663 -7.338 6.767 745 1HB LEU 88 HB2 LEU 88 -1.139 -6.603 8.854 746 2HB LEU 88 HB1 LEU 88 -1.068 -5.853 7.275 747 HG LEU 88 HG LEU 88 -1.049 -4.220 9.120 748 1HD1 LEU 88 HD11 LEU 88 -1.888 -2.840 7.626 749 2HD1 LEU 88 HD12 LEU 88 -3.519 -3.331 8.086 750 3HD1 LEU 88 HD13 LEU 88 -2.668 -4.191 6.805 751 1HD2 LEU 88 HD21 LEU 88 -3.466 -3.861 10.096 752 2HD2 LEU 88 HD22 LEU 88 -2.311 -4.950 10.863 753 3HD2 LEU 88 HD23 LEU 88 -3.577 -5.597 9.824 754 H PHE 89 HN PHE 89 -1.962 -9.167 7.892 755 HA PHE 89 HA PHE 89 -3.024 -9.731 10.515 756 1HB PHE 89 HB1 PHE 89 -4.025 -11.948 9.546 757 2HB PHE 89 HB2 PHE 89 -4.972 -10.465 9.489 758 HD1 PHE 89 HD1 PHE 89 -5.304 -9.280 7.382 759 HD2 PHE 89 HD2 PHE 89 -3.179 -12.965 7.547 760 HE1 PHE 89 HE1 PHE 89 -5.538 -9.520 4.944 761 HE2 PHE 89 HE2 PHE 89 -3.410 -13.211 5.109 762 HZ PHE 89 HZ PHE 89 -4.595 -11.491 3.805 Start of MODEL 5 1 1H MET 1 HT1 MET 1 7.651 -10.058 -4.885 2 2H MET 1 HT2 MET 1 8.405 -10.685 -6.294 3 3H MET 1 HT3 MET 1 9.251 -10.672 -4.801 4 HA MET 1 HA MET 1 8.310 -12.835 -5.549 5 1HB MET 1 HB2 MET 1 8.238 -11.469 -2.956 6 2HB MET 1 HB1 MET 1 7.169 -12.863 -3.041 7 1HG MET 1 HG1 MET 1 9.415 -13.893 -4.129 8 2HG MET 1 HG2 MET 1 10.102 -12.721 -3.004 9 1HE MET 1 HE1 MET 1 7.101 -15.625 -2.803 10 2HE MET 1 HE2 MET 1 8.308 -16.741 -2.163 11 3HE MET 1 HE3 MET 1 8.584 -15.932 -3.707 12 H GLU 2 HN GLU 2 5.862 -11.272 -3.523 13 HA GLU 2 HA GLU 2 3.819 -12.090 -5.480 14 1HB GLU 2 HB1 GLU 2 3.897 -13.555 -3.451 15 2HB GLU 2 HB2 GLU 2 3.511 -12.145 -2.474 16 1HG GLU 2 HG2 GLU 2 1.458 -11.939 -4.049 17 2HG GLU 2 HG1 GLU 2 1.797 -13.631 -4.410 18 H VAL 3 HN VAL 3 4.704 -9.640 -5.816 19 HA VAL 3 HA VAL 3 2.935 -7.837 -4.320 20 HB VAL 3 HB VAL 3 4.923 -6.744 -6.244 21 1HG1 VAL 3 HG21 VAL 3 3.383 -5.865 -3.941 22 2HG1 VAL 3 HG22 VAL 3 4.066 -4.931 -5.270 23 3HG1 VAL 3 HG23 VAL 3 5.069 -5.355 -3.882 24 1HG2 VAL 3 HG11 VAL 3 6.368 -6.818 -3.911 25 2HG2 VAL 3 HG12 VAL 3 6.636 -7.850 -5.316 26 3HG2 VAL 3 HG13 VAL 3 5.649 -8.426 -3.972 27 H LYS 4 HN LYS 4 1.066 -7.338 -5.238 28 HA LYS 4 HA LYS 4 0.931 -7.284 -8.179 29 1HB LYS 4 HB1 LYS 4 -1.245 -8.192 -8.121 30 2HB LYS 4 HB2 LYS 4 -0.317 -9.153 -6.983 31 1HG LYS 4 HG2 LYS 4 -1.492 -6.973 -5.579 32 2HG LYS 4 HG1 LYS 4 -2.735 -7.767 -6.547 33 1HD LYS 4 HD1 LYS 4 -1.734 -9.955 -5.581 34 2HD LYS 4 HD2 LYS 4 -1.028 -8.891 -4.363 35 1HE LYS 4 HE2 LYS 4 -3.087 -9.685 -3.483 36 2HE LYS 4 HE1 LYS 4 -3.332 -8.000 -3.939 37 1HZ LYS 4 HZ1 LYS 4 -5.199 -9.189 -4.704 38 2HZ LYS 4 HZ2 LYS 4 -4.254 -10.417 -5.381 39 3HZ LYS 4 HZ3 LYS 4 -4.265 -8.877 -6.080 40 H ILE 5 HN ILE 5 -0.205 -5.650 -9.176 41 HA ILE 5 HA ILE 5 -1.032 -3.417 -7.436 42 HB ILE 5 HB ILE 5 -0.107 -3.146 -10.292 43 1HG1 ILE 5 HG11 ILE 5 1.800 -3.942 -9.090 44 2HG1 ILE 5 HG12 ILE 5 1.990 -2.200 -9.252 45 1HG2 ILE 5 HG21 ILE 5 0.312 -0.755 -9.204 46 2HG2 ILE 5 HG22 ILE 5 -1.000 -1.297 -8.158 47 3HG2 ILE 5 HG23 ILE 5 -1.241 -1.217 -9.903 48 1HD1 ILE 5 HD11 ILE 5 1.377 -1.842 -6.988 49 2HD1 ILE 5 HD12 ILE 5 2.590 -3.121 -7.019 50 3HD1 ILE 5 HD13 ILE 5 0.888 -3.525 -6.795 51 H GLU 6 HN GLU 6 -3.158 -3.120 -7.421 52 HA GLU 6 HA GLU 6 -4.666 -3.307 -9.903 53 1HB GLU 6 HB2 GLU 6 -4.579 -5.495 -8.190 54 2HB GLU 6 HB1 GLU 6 -6.087 -4.693 -7.771 55 1HG GLU 6 HG2 GLU 6 -7.085 -5.403 -9.619 56 2HG GLU 6 HG1 GLU 6 -5.736 -4.891 -10.635 57 H LYS 7 HN LYS 7 -6.689 -2.275 -9.845 58 HA LYS 7 HA LYS 7 -7.075 -0.511 -7.517 59 1HB LYS 7 HB1 LYS 7 -7.604 -0.052 -10.453 60 2HB LYS 7 HB2 LYS 7 -8.288 0.974 -9.201 61 1HG LYS 7 HG1 LYS 7 -6.374 2.077 -8.903 62 2HG LYS 7 HG2 LYS 7 -5.412 0.597 -8.928 63 1HD LYS 7 HD2 LYS 7 -5.247 0.610 -11.268 64 2HD LYS 7 HD1 LYS 7 -6.572 1.762 -11.440 65 1HE LYS 7 HE2 LYS 7 -3.858 2.344 -10.259 66 2HE LYS 7 HE1 LYS 7 -4.412 2.822 -11.864 67 1HZ LYS 7 HZ1 LYS 7 -4.729 4.698 -10.554 68 2HZ LYS 7 HZ2 LYS 7 -5.320 3.818 -9.236 69 3HZ LYS 7 HZ3 LYS 7 -6.271 4.009 -10.621 70 HA PRO 8 HA PRO 8 -10.615 -3.354 -7.142 71 1HB PRO 8 HB2 PRO 8 -11.065 -1.436 -4.898 72 2HB PRO 8 HB1 PRO 8 -11.173 -3.199 -4.910 73 1HG PRO 8 HG1 PRO 8 -9.056 -1.946 -3.859 74 2HG PRO 8 HG2 PRO 8 -8.893 -3.474 -4.740 75 1HD PRO 8 HD2 PRO 8 -8.134 -0.734 -5.559 76 2HD PRO 8 HD1 PRO 8 -7.453 -2.293 -6.053 77 H THR 9 HN THR 9 -12.561 -3.179 -8.003 78 HA THR 9 HA THR 9 -13.542 -0.549 -8.789 79 HB THR 9 HB THR 9 -13.723 -1.977 -10.611 80 HG1 THR 9 HG1 THR 9 -15.801 -1.917 -10.972 81 1HG2 THR 9 HG21 THR 9 -14.257 -4.106 -8.631 82 2HG2 THR 9 HG22 THR 9 -13.225 -4.113 -10.061 83 3HG2 THR 9 HG23 THR 9 -14.974 -4.271 -10.234 84 HA PRO 10 HA PRO 10 -16.697 0.198 -5.824 85 1HB PRO 10 HB1 PRO 10 -18.920 -0.055 -7.615 86 2HB PRO 10 HB2 PRO 10 -18.173 1.425 -7.012 87 1HG PRO 10 HG2 PRO 10 -17.762 0.016 -9.579 88 2HG PRO 10 HG1 PRO 10 -17.544 1.731 -9.187 89 1HD PRO 10 HD2 PRO 10 -15.447 0.110 -9.595 90 2HD PRO 10 HD1 PRO 10 -15.396 1.398 -8.374 91 H GLU 11 HN GLU 11 -17.068 -2.505 -8.041 92 HA GLU 11 HA GLU 11 -19.033 -3.863 -6.464 93 1HB GLU 11 HB1 GLU 11 -17.220 -4.990 -8.605 94 2HB GLU 11 HB2 GLU 11 -18.696 -5.722 -7.993 95 1HG GLU 11 HG2 GLU 11 -19.126 -3.029 -8.980 96 2HG GLU 11 HG1 GLU 11 -18.464 -4.107 -10.209 97 H LYS 12 HN LYS 12 -15.521 -4.070 -6.826 98 HA LYS 12 HA LYS 12 -15.270 -6.336 -5.079 99 1HB LYS 12 HB1 LYS 12 -13.658 -5.284 -6.975 100 2HB LYS 12 HB2 LYS 12 -12.927 -4.584 -5.538 101 1HG LYS 12 HG1 LYS 12 -11.939 -6.498 -5.021 102 2HG LYS 12 HG2 LYS 12 -13.458 -7.386 -5.149 103 1HD LYS 12 HD1 LYS 12 -12.108 -8.380 -6.767 104 2HD LYS 12 HD2 LYS 12 -13.088 -7.240 -7.690 105 1HE LYS 12 HE1 LYS 12 -11.252 -6.240 -8.430 106 2HE LYS 12 HE2 LYS 12 -10.768 -5.880 -6.773 107 1HZ LYS 12 HZ1 LYS 12 -9.075 -7.145 -7.948 108 2HZ LYS 12 HZ2 LYS 12 -10.175 -8.399 -8.230 109 3HZ LYS 12 HZ3 LYS 12 -9.695 -8.035 -6.650 110 H LEU 13 HN LEU 13 -14.856 -2.848 -4.804 111 HA LEU 13 HA LEU 13 -13.746 -2.744 -2.250 112 1HB LEU 13 HB1 LEU 13 -15.574 -0.787 -3.642 113 2HB LEU 13 HB2 LEU 13 -14.693 -0.437 -2.167 114 HG LEU 13 HG LEU 13 -13.180 -1.352 -4.577 115 1HD1 LEU 13 HD11 LEU 13 -14.865 0.914 -4.602 116 2HD1 LEU 13 HD12 LEU 13 -13.667 0.425 -5.801 117 3HD1 LEU 13 HD13 LEU 13 -13.202 1.491 -4.476 118 1HD2 LEU 13 HD21 LEU 13 -11.536 0.289 -3.566 119 2HD2 LEU 13 HD22 LEU 13 -11.873 -1.166 -2.629 120 3HD2 LEU 13 HD23 LEU 13 -12.619 0.366 -2.177 121 H LYS 14 HN LYS 14 -17.049 -3.254 -3.268 122 HA LYS 14 HA LYS 14 -18.443 -2.591 -0.965 123 1HB LYS 14 HB1 LYS 14 -18.880 -4.346 -3.275 124 2HB LYS 14 HB2 LYS 14 -19.730 -4.868 -1.827 125 1HG LYS 14 HG2 LYS 14 -20.785 -2.678 -1.645 126 2HG LYS 14 HG1 LYS 14 -19.923 -2.142 -3.089 127 1HD LYS 14 HD1 LYS 14 -21.104 -3.658 -4.472 128 2HD LYS 14 HD2 LYS 14 -21.750 -4.532 -3.082 129 1HE LYS 14 HE1 LYS 14 -22.607 -1.952 -2.655 130 2HE LYS 14 HE2 LYS 14 -22.734 -2.131 -4.404 131 1HZ LYS 14 HZ1 LYS 14 -23.850 -4.122 -2.518 132 2HZ LYS 14 HZ2 LYS 14 -24.179 -3.952 -4.169 133 3HZ LYS 14 HZ3 LYS 14 -24.742 -2.795 -3.069 134 H GLU 15 HN GLU 15 -16.938 -5.700 -1.810 135 HA GLU 15 HA GLU 15 -17.415 -6.788 0.825 136 1HB GLU 15 HB1 GLU 15 -15.610 -7.919 -1.315 137 2HB GLU 15 HB2 GLU 15 -16.363 -8.779 0.021 138 1HG GLU 15 HG2 GLU 15 -18.525 -7.744 -1.288 139 2HG GLU 15 HG1 GLU 15 -17.418 -8.103 -2.612 140 H LEU 16 HN LEU 16 -14.951 -5.027 -0.818 141 HA LEU 16 HA LEU 16 -12.911 -5.642 1.160 142 1HB LEU 16 HB2 LEU 16 -12.989 -4.506 -1.536 143 2HB LEU 16 HB1 LEU 16 -11.909 -3.645 -0.457 144 HG LEU 16 HG LEU 16 -10.522 -5.515 -0.154 145 1HD1 LEU 16 HD11 LEU 16 -12.776 -7.157 -1.290 146 2HD1 LEU 16 HD12 LEU 16 -12.108 -7.220 0.341 147 3HD1 LEU 16 HD13 LEU 16 -11.146 -7.778 -1.028 148 1HD2 LEU 16 HD21 LEU 16 -10.047 -4.638 -2.271 149 2HD2 LEU 16 HD22 LEU 16 -11.507 -5.327 -2.982 150 3HD2 LEU 16 HD23 LEU 16 -10.166 -6.379 -2.527 151 H SER 17 HN SER 17 -15.496 -3.939 1.519 152 HA SER 17 HA SER 17 -15.365 -1.337 1.832 153 1HB SER 17 HB1 SER 17 -16.143 -3.185 4.097 154 2HB SER 17 HB2 SER 17 -16.643 -1.503 3.920 155 HG SER 17 HG SER 17 -18.109 -3.258 3.132 156 H VAL 18 HN VAL 18 -13.263 -0.535 1.935 157 HA VAL 18 HA VAL 18 -11.468 -1.068 4.057 158 HB VAL 18 HB VAL 18 -10.186 0.823 3.257 159 1HG1 VAL 18 HG21 VAL 18 -11.287 -0.426 0.771 160 2HG1 VAL 18 HG22 VAL 18 -10.415 -1.402 1.952 161 3HG1 VAL 18 HG23 VAL 18 -9.617 -0.033 1.179 162 1HG2 VAL 18 HG11 VAL 18 -11.010 2.285 1.487 163 2HG2 VAL 18 HG12 VAL 18 -12.040 2.386 2.915 164 3HG2 VAL 18 HG13 VAL 18 -12.566 1.456 1.514 165 H GLU 19 HN GLU 19 -14.228 0.944 3.779 166 HA GLU 19 HA GLU 19 -13.781 3.030 5.510 167 1HB GLU 19 HB2 GLU 19 -16.274 2.700 6.095 168 2HB GLU 19 HB1 GLU 19 -15.854 3.015 4.417 169 1HG GLU 19 HG1 GLU 19 -16.783 1.114 3.771 170 2HG GLU 19 HG2 GLU 19 -15.805 0.192 4.917 171 H LYS 20 HN LYS 20 -14.477 -0.333 6.241 172 HA LYS 20 HA LYS 20 -14.805 0.059 9.054 173 1HB LYS 20 HB1 LYS 20 -13.979 -2.601 8.005 174 2HB LYS 20 HB2 LYS 20 -15.216 -2.194 9.186 175 1HG LYS 20 HG2 LYS 20 -16.555 -1.264 7.230 176 2HG LYS 20 HG1 LYS 20 -15.391 -2.090 6.194 177 1HD LYS 20 HD1 LYS 20 -16.384 -4.052 6.520 178 2HD LYS 20 HD2 LYS 20 -16.329 -3.848 8.274 179 1HE LYS 20 HE1 LYS 20 -18.312 -2.097 7.432 180 2HE LYS 20 HE2 LYS 20 -18.549 -3.536 6.441 181 1HZ LYS 20 HZ1 LYS 20 -18.229 -4.680 8.787 182 2HZ LYS 20 HZ2 LYS 20 -19.740 -4.143 8.249 183 3HZ LYS 20 HZ3 LYS 20 -18.840 -3.197 9.323 184 H TRP 21 HN TRP 21 -12.099 -0.243 6.960 185 HA TRP 21 HA TRP 21 -10.291 -1.136 9.038 186 1HB TRP 21 HB2 TRP 21 -9.422 -0.070 6.365 187 2HB TRP 21 HB1 TRP 21 -8.645 -1.286 7.371 188 HD1 TRP 21 HD1 TRP 21 -11.996 -2.546 7.334 189 HE1 TRP 21 HE1 TRP 21 -12.408 -4.199 5.414 190 HE3 TRP 21 HE3 TRP 21 -7.917 -1.466 4.438 191 HZ2 TRP 21 HZ2 TRP 21 -11.163 -4.966 2.999 192 HZ3 TRP 21 HZ3 TRP 21 -7.599 -2.711 2.338 193 HH2 TRP 21 HH2 TRP 21 -9.192 -4.423 1.635 194 HA PRO 22 HA PRO 22 -9.013 2.768 10.673 195 1HB PRO 22 HB2 PRO 22 -6.239 2.409 10.461 196 2HB PRO 22 HB1 PRO 22 -7.238 1.978 11.848 197 1HG PRO 22 HG2 PRO 22 -6.211 0.270 9.646 198 2HG PRO 22 HG1 PRO 22 -6.478 -0.134 11.347 199 1HD PRO 22 HD1 PRO 22 -8.145 -0.983 9.422 200 2HD PRO 22 HD2 PRO 22 -8.744 -0.517 11.028 201 H ILE 23 HN ILE 23 -7.133 4.474 10.101 202 HA ILE 23 HA ILE 23 -6.884 4.673 7.189 203 HB ILE 23 HB ILE 23 -7.902 6.928 8.922 204 1HG1 ILE 23 HG11 ILE 23 -9.863 6.538 7.136 205 2HG1 ILE 23 HG12 ILE 23 -9.246 4.890 7.218 206 1HG2 ILE 23 HG21 ILE 23 -6.690 7.953 7.227 207 2HG2 ILE 23 HG22 ILE 23 -8.329 7.915 6.577 208 3HG2 ILE 23 HG23 ILE 23 -7.138 6.733 6.034 209 1HD1 ILE 23 HD11 ILE 23 -10.980 6.239 9.013 210 2HD1 ILE 23 HD12 ILE 23 -9.496 5.816 9.869 211 3HD1 ILE 23 HD13 ILE 23 -10.429 4.564 9.049 212 H TRP 24 HN TRP 24 -5.151 5.891 6.451 213 HA TRP 24 HA TRP 24 -3.243 6.772 8.515 214 1HB TRP 24 HB1 TRP 24 -2.826 4.603 6.957 215 2HB TRP 24 HB2 TRP 24 -2.173 5.854 5.904 216 HD1 TRP 24 HD1 TRP 24 -1.809 5.265 9.735 217 HE1 TRP 24 HE1 TRP 24 0.698 5.371 10.305 218 HE3 TRP 24 HE3 TRP 24 0.065 6.030 5.038 219 HZ2 TRP 24 HZ2 TRP 24 3.146 5.730 8.946 220 HZ3 TRP 24 HZ3 TRP 24 2.500 6.244 4.760 221 HH2 TRP 24 HH2 TRP 24 4.007 6.097 6.676 222 H GLU 25 HN GLU 25 -1.902 8.541 7.978 223 HA GLU 25 HA GLU 25 -2.611 10.025 5.548 224 1HB GLU 25 HB1 GLU 25 -2.325 12.114 7.164 225 2HB GLU 25 HB2 GLU 25 -3.881 11.329 6.939 226 1HG GLU 25 HG1 GLU 25 -3.655 10.136 8.994 227 2HG GLU 25 HG2 GLU 25 -1.989 10.682 9.185 228 H LYS 26 HN LYS 26 -0.838 10.731 4.486 229 HA LYS 26 HA LYS 26 1.600 11.258 5.985 230 1HB LYS 26 HB1 LYS 26 1.491 8.793 5.345 231 2HB LYS 26 HB2 LYS 26 1.671 9.324 3.678 232 1HG LYS 26 HG2 LYS 26 3.785 8.602 4.758 233 2HG LYS 26 HG1 LYS 26 3.822 10.251 4.127 234 1HD LYS 26 HD2 LYS 26 2.910 10.170 6.878 235 2HD LYS 26 HD1 LYS 26 4.504 9.440 6.694 236 1HE LYS 26 HE2 LYS 26 5.461 11.399 5.921 237 2HE LYS 26 HE1 LYS 26 3.919 12.060 5.388 238 1HZ LYS 26 HZ1 LYS 26 4.046 11.602 8.222 239 2HZ LYS 26 HZ2 LYS 26 3.550 12.976 7.371 240 3HZ LYS 26 HZ3 LYS 26 5.193 12.720 7.678 241 H GLU 27 HN GLU 27 2.311 13.125 5.335 242 HA GLU 27 HA GLU 27 1.707 14.272 2.787 243 1HB GLU 27 HB1 GLU 27 2.957 16.174 3.523 244 2HB GLU 27 HB2 GLU 27 2.063 15.579 4.917 245 1HG GLU 27 HG1 GLU 27 3.950 15.488 6.057 246 2HG GLU 27 HG2 GLU 27 4.553 14.269 4.936 247 H VAL 28 HN VAL 28 3.427 15.064 1.314 248 HA VAL 28 HA VAL 28 4.805 13.034 0.079 249 HB VAL 28 HB VAL 28 5.515 15.961 0.017 250 1HG1 VAL 28 HG11 VAL 28 6.669 13.686 -1.294 251 2HG1 VAL 28 HG12 VAL 28 7.146 15.381 -1.373 252 3HG1 VAL 28 HG13 VAL 28 5.928 14.755 -2.483 253 1HG2 VAL 28 HG21 VAL 28 4.081 15.823 -2.109 254 2HG2 VAL 28 HG22 VAL 28 3.256 15.864 -0.551 255 3HG2 VAL 28 HG23 VAL 28 3.441 14.336 -1.409 256 H SER 29 HN SER 29 5.734 12.241 2.367 257 HA SER 29 HA SER 29 8.421 13.319 2.814 258 1HB SER 29 HB1 SER 29 6.752 12.811 4.715 259 2HB SER 29 HB2 SER 29 7.123 11.116 4.407 260 HG SER 29 HG SER 29 8.585 11.692 5.900 261 H GLU 30 HN GLU 30 9.501 10.889 3.866 262 HA GLU 30 HA GLU 30 9.380 8.860 1.822 263 1HB GLU 30 HB1 GLU 30 11.729 10.689 2.113 264 2HB GLU 30 HB2 GLU 30 12.024 8.996 1.745 265 1HG GLU 30 HG1 GLU 30 11.468 9.274 -0.381 266 2HG GLU 30 HG2 GLU 30 9.969 10.099 0.045 267 H PHE 31 HN PHE 31 9.470 6.966 2.870 268 HA PHE 31 HA PHE 31 10.913 6.876 5.436 269 1HB PHE 31 HB1 PHE 31 8.271 5.560 4.786 270 2HB PHE 31 HB2 PHE 31 9.139 5.419 6.312 271 HD1 PHE 31 HD1 PHE 31 9.188 7.239 7.886 272 HD2 PHE 31 HD2 PHE 31 7.119 7.596 4.185 273 HE1 PHE 31 HE1 PHE 31 8.033 9.239 8.730 274 HE2 PHE 31 HE2 PHE 31 5.959 9.598 5.022 275 HZ PHE 31 HZ PHE 31 6.407 10.418 7.286 276 H ASP 32 HN ASP 32 11.855 4.941 6.058 277 HA ASP 32 HA ASP 32 12.435 3.073 3.887 278 1HB ASP 32 HB1 ASP 32 14.325 3.897 5.236 279 2HB ASP 32 HB2 ASP 32 13.574 3.240 6.688 280 H TRP 33 HN TRP 33 11.210 1.312 3.666 281 HA TRP 33 HA TRP 33 9.683 0.404 6.009 282 1HB TRP 33 HB1 TRP 33 8.478 1.359 3.975 283 2HB TRP 33 HB2 TRP 33 8.975 -0.097 3.120 284 HD1 TRP 33 HD1 TRP 33 7.561 0.117 6.724 285 HE1 TRP 33 HE1 TRP 33 5.440 -1.337 6.824 286 HE3 TRP 33 HE3 TRP 33 7.282 -1.251 1.809 287 HZ2 TRP 33 HZ2 TRP 33 3.856 -2.864 5.049 288 HZ3 TRP 33 HZ3 TRP 33 5.436 -2.708 1.089 289 HH2 TRP 33 HH2 TRP 33 3.758 -3.495 2.676 290 H TYR 34 HN TYR 34 9.867 -1.592 6.731 291 HA TYR 34 HA TYR 34 11.174 -3.614 5.040 292 1HB TYR 34 HB2 TYR 34 12.807 -2.970 6.696 293 2HB TYR 34 HB1 TYR 34 11.619 -3.094 7.988 294 HD1 TYR 34 HD1 TYR 34 12.677 -5.366 5.209 295 HD2 TYR 34 HD2 TYR 34 12.099 -4.853 9.393 296 HE1 TYR 34 HE1 TYR 34 13.337 -7.706 5.581 297 HE2 TYR 34 HE2 TYR 34 12.758 -7.190 9.777 298 HH TYR 34 HH TYR 34 13.153 -9.439 7.180 299 H TYR 35 HN TYR 35 9.704 -5.109 4.579 300 HA TYR 35 HA TYR 35 7.295 -5.394 6.043 301 1HB TYR 35 HB2 TYR 35 8.036 -5.986 3.512 302 2HB TYR 35 HB1 TYR 35 8.089 -7.592 4.231 303 HD1 TYR 35 HD1 TYR 35 5.834 -4.612 4.323 304 HD2 TYR 35 HD2 TYR 35 6.181 -8.835 3.989 305 HE1 TYR 35 HE1 TYR 35 3.395 -4.788 4.087 306 HE2 TYR 35 HE2 TYR 35 3.746 -9.023 3.754 307 HH TYR 35 HH TYR 35 1.640 -6.763 4.598 308 H ASP 36 HN ASP 36 6.646 -6.848 7.518 309 HA ASP 36 HA ASP 36 8.268 -9.174 8.133 310 1HB ASP 36 HB1 ASP 36 8.940 -6.989 9.511 311 2HB ASP 36 HB2 ASP 36 7.566 -7.493 10.492 312 H THR 37 HN THR 37 5.490 -8.389 7.204 313 HA THR 37 HA THR 37 4.073 -10.415 8.608 314 HB THR 37 HB THR 37 2.764 -7.745 8.930 315 HG1 THR 37 HG1 THR 37 4.620 -8.812 10.788 316 1HG2 THR 37 HG21 THR 37 2.398 -9.246 11.213 317 2HG2 THR 37 HG22 THR 37 2.343 -10.429 9.907 318 3HG2 THR 37 HG23 THR 37 1.252 -9.043 9.886 319 H ASN 38 HN ASN 38 2.470 -11.206 7.349 320 HA ASN 38 HA ASN 38 2.164 -10.204 4.700 321 1HB ASN 38 HB1 ASN 38 0.650 -12.330 6.230 322 2HB ASN 38 HB2 ASN 38 0.404 -11.987 4.520 323 1HD2 ASN 38 HD21 ASN 38 2.705 -11.787 3.383 324 2HD2 ASN 38 HD22 ASN 38 3.716 -13.163 3.643 325 H GLU 39 HN GLU 39 1.290 -8.175 4.642 326 HA GLU 39 HA GLU 39 -1.487 -7.958 5.577 327 1HB GLU 39 HB1 GLU 39 -1.153 -5.920 6.616 328 2HB GLU 39 HB2 GLU 39 0.307 -6.793 7.034 329 1HG GLU 39 HG2 GLU 39 0.831 -5.413 4.629 330 2HG GLU 39 HG1 GLU 39 0.022 -4.288 5.713 331 H THR 40 HN THR 40 -2.688 -6.132 4.576 332 HA THR 40 HA THR 40 -1.725 -5.443 1.892 333 HB THR 40 HB THR 40 -4.457 -6.573 2.531 334 HG1 THR 40 HG1 THR 40 -3.778 -8.227 1.119 335 1HG2 THR 40 HG21 THR 40 -3.821 -6.333 -0.270 336 2HG2 THR 40 HG22 THR 40 -3.872 -4.761 0.529 337 3HG2 THR 40 HG23 THR 40 -5.266 -5.838 0.611 338 H CYS 41 HN CYS 41 -2.217 -3.388 1.244 339 HA CYS 41 HA CYS 41 -4.018 -1.831 2.979 340 1HB CYS 41 HB2 CYS 41 -2.345 0.114 2.265 341 2HB CYS 41 HB1 CYS 41 -2.077 -0.871 3.699 342 HG CYS 41 HG CYS 41 0.122 -1.300 2.713 343 H TYR 42 HN TYR 42 -4.900 0.113 1.970 344 HA TYR 42 HA TYR 42 -5.000 -0.014 -0.965 345 1HB TYR 42 HB1 TYR 42 -7.013 -1.071 -0.487 346 2HB TYR 42 HB2 TYR 42 -7.260 -0.162 0.996 347 HD1 TYR 42 HD1 TYR 42 -8.364 1.993 0.972 348 HD2 TYR 42 HD2 TYR 42 -7.648 -0.124 -2.648 349 HE1 TYR 42 HE1 TYR 42 -9.917 3.492 -0.206 350 HE2 TYR 42 HE2 TYR 42 -9.195 1.367 -3.836 351 HH TYR 42 HH TYR 42 -11.194 2.837 -3.197 352 H ILE 43 HN ILE 43 -4.629 1.906 -1.891 353 HA ILE 43 HA ILE 43 -4.230 4.245 -0.305 354 HB ILE 43 HB ILE 43 -4.268 3.888 -3.305 355 1HG1 ILE 43 HG12 ILE 43 -1.722 4.617 -2.323 356 2HG1 ILE 43 HG11 ILE 43 -2.320 3.351 -1.253 357 1HG2 ILE 43 HG21 ILE 43 -4.786 6.174 -2.914 358 2HG2 ILE 43 HG22 ILE 43 -3.074 6.099 -3.327 359 3HG2 ILE 43 HG23 ILE 43 -3.567 6.301 -1.645 360 1HD1 ILE 43 HD11 ILE 43 -2.806 2.019 -3.342 361 2HD1 ILE 43 HD12 ILE 43 -1.109 2.269 -2.937 362 3HD1 ILE 43 HD13 ILE 43 -1.863 3.228 -4.211 363 H LEU 44 HN LEU 44 -5.322 6.243 -0.475 364 HA LEU 44 HA LEU 44 -8.112 6.044 -1.400 365 1HB LEU 44 HB2 LEU 44 -7.799 6.062 1.095 366 2HB LEU 44 HB1 LEU 44 -7.129 7.674 0.938 367 HG LEU 44 HG LEU 44 -9.276 8.459 -0.003 368 1HD1 LEU 44 HD21 LEU 44 -10.750 7.010 -0.799 369 2HD1 LEU 44 HD22 LEU 44 -10.995 6.378 0.829 370 3HD1 LEU 44 HD23 LEU 44 -9.770 5.664 -0.218 371 1HD2 LEU 44 HD11 LEU 44 -9.890 8.977 2.065 372 2HD2 LEU 44 HD12 LEU 44 -8.669 7.844 2.646 373 3HD2 LEU 44 HD13 LEU 44 -10.333 7.306 2.416 374 H GLU 45 HN GLU 45 -5.280 8.088 -0.996 375 HA GLU 45 HA GLU 45 -5.828 9.585 -3.327 376 1HB GLU 45 HB2 GLU 45 -6.131 11.808 -2.213 377 2HB GLU 45 HB1 GLU 45 -7.500 10.718 -2.032 378 1HG GLU 45 HG2 GLU 45 -6.599 10.104 0.218 379 2HG GLU 45 HG1 GLU 45 -5.413 11.393 0.023 380 H GLY 46 HN GLY 46 -3.762 9.457 -3.985 381 1HA GLY 46 HA2 GLY 46 -1.747 11.097 -3.392 382 2HA GLY 46 HA1 GLY 46 -1.589 9.911 -2.104 383 H LYS 47 HN LYS 47 0.585 9.750 -3.323 384 HA LYS 47 HA LYS 47 0.372 7.400 -4.991 385 1HB LYS 47 HB1 LYS 47 0.434 9.729 -6.340 386 2HB LYS 47 HB2 LYS 47 2.161 9.439 -6.163 387 1HG LYS 47 HG2 LYS 47 0.284 7.347 -7.199 388 2HG LYS 47 HG1 LYS 47 1.049 8.533 -8.258 389 1HD LYS 47 HD1 LYS 47 2.739 6.971 -6.367 390 2HD LYS 47 HD2 LYS 47 2.165 6.193 -7.842 391 1HE LYS 47 HE2 LYS 47 3.922 8.611 -7.556 392 2HE LYS 47 HE1 LYS 47 4.279 7.090 -8.372 393 1HZ LYS 47 HZ1 LYS 47 3.737 8.284 -10.184 394 2HZ LYS 47 HZ2 LYS 47 2.799 9.401 -9.326 395 3HZ LYS 47 HZ3 LYS 47 2.151 7.896 -9.746 396 H VAL 48 HN VAL 48 1.856 6.004 -4.492 397 HA VAL 48 HA VAL 48 4.385 6.944 -3.312 398 HB VAL 48 HB VAL 48 2.610 4.679 -2.424 399 1HG1 VAL 48 HG21 VAL 48 5.507 5.061 -1.652 400 2HG1 VAL 48 HG22 VAL 48 4.868 3.743 -2.637 401 3HG1 VAL 48 HG23 VAL 48 4.391 3.892 -0.946 402 1HG2 VAL 48 HG11 VAL 48 4.014 6.721 -0.741 403 2HG2 VAL 48 HG12 VAL 48 2.605 5.740 -0.339 404 3HG2 VAL 48 HG13 VAL 48 2.461 7.054 -1.508 405 H GLU 49 HN GLU 49 6.200 6.117 -4.163 406 HA GLU 49 HA GLU 49 5.911 4.007 -6.195 407 1HB GLU 49 HB2 GLU 49 8.035 6.145 -5.940 408 2HB GLU 49 HB1 GLU 49 8.005 4.891 -7.173 409 1HG GLU 49 HG1 GLU 49 5.825 5.785 -7.952 410 2HG GLU 49 HG2 GLU 49 6.000 7.102 -6.794 411 H VAL 50 HN VAL 50 6.554 2.091 -5.500 412 HA VAL 50 HA VAL 50 8.481 1.947 -3.310 413 HB VAL 50 HB VAL 50 6.604 -0.134 -4.445 414 1HG1 VAL 50 HG11 VAL 50 8.527 -1.288 -3.615 415 2HG1 VAL 50 HG12 VAL 50 7.236 -1.459 -2.424 416 3HG1 VAL 50 HG13 VAL 50 8.546 -0.311 -2.145 417 1HG2 VAL 50 HG21 VAL 50 5.351 0.152 -2.411 418 2HG2 VAL 50 HG22 VAL 50 5.558 1.723 -3.184 419 3HG2 VAL 50 HG23 VAL 50 6.546 1.290 -1.789 420 H THR 51 HN THR 51 10.408 0.970 -3.426 421 HA THR 51 HA THR 51 11.134 -0.445 -5.898 422 HB THR 51 HB THR 51 13.172 1.182 -4.412 423 HG1 THR 51 HG1 THR 51 11.196 2.123 -6.159 424 1HG2 THR 51 HG21 THR 51 13.790 1.423 -7.003 425 2HG2 THR 51 HG22 THR 51 12.992 -0.149 -7.027 426 3HG2 THR 51 HG23 THR 51 14.381 0.118 -5.973 427 H THR 52 HN THR 52 11.510 -2.498 -5.364 428 HA THR 52 HA THR 52 12.167 -3.215 -2.650 429 HB THR 52 HB THR 52 11.895 -5.508 -3.382 430 HG1 THR 52 HG1 THR 52 12.411 -5.992 -5.340 431 1HG2 THR 52 HG21 THR 52 9.746 -4.476 -5.037 432 2HG2 THR 52 HG22 THR 52 9.873 -3.671 -3.473 433 3HG2 THR 52 HG23 THR 52 9.686 -5.424 -3.550 434 H GLU 53 HN GLU 53 13.901 -4.732 -2.136 435 HA GLU 53 HA GLU 53 16.414 -3.769 -3.046 436 1HB GLU 53 HB1 GLU 53 16.149 -4.539 -0.765 437 2HB GLU 53 HB2 GLU 53 15.681 -6.140 -1.318 438 1HG GLU 53 HG2 GLU 53 17.863 -6.479 -0.724 439 2HG GLU 53 HG1 GLU 53 18.022 -6.138 -2.447 440 H ASP 54 HN ASP 54 14.513 -6.666 -3.687 441 HA ASP 54 HA ASP 54 16.425 -8.161 -5.065 442 1HB ASP 54 HB2 ASP 54 13.843 -8.575 -4.369 443 2HB ASP 54 HB1 ASP 54 13.651 -8.278 -6.094 444 H GLY 55 HN GLY 55 14.461 -5.451 -6.077 445 1HA GLY 55 HA2 GLY 55 15.495 -4.082 -7.862 446 2HA GLY 55 HA1 GLY 55 15.758 -5.585 -8.729 447 H LYS 56 HN LYS 56 12.834 -4.754 -6.961 448 HA LYS 56 HA LYS 56 11.380 -4.782 -9.520 449 1HB LYS 56 HB1 LYS 56 10.232 -5.311 -6.775 450 2HB LYS 56 HB2 LYS 56 9.436 -5.549 -8.325 451 1HG LYS 56 HG1 LYS 56 11.935 -7.040 -7.612 452 2HG LYS 56 HG2 LYS 56 10.341 -7.603 -7.102 453 1HD LYS 56 HD1 LYS 56 10.825 -6.911 -9.969 454 2HD LYS 56 HD2 LYS 56 11.374 -8.465 -9.337 455 1HE LYS 56 HE1 LYS 56 9.271 -9.265 -9.095 456 2HE LYS 56 HE2 LYS 56 8.606 -7.689 -8.671 457 1HZ LYS 56 HZ1 LYS 56 8.323 -8.959 -11.065 458 2HZ LYS 56 HZ2 LYS 56 9.510 -7.797 -11.382 459 3HZ LYS 56 HZ3 LYS 56 8.008 -7.324 -10.767 460 H LYS 57 HN LYS 57 9.094 -3.591 -9.057 461 HA LYS 57 HA LYS 57 9.410 -1.178 -7.521 462 1HB LYS 57 HB1 LYS 57 10.623 -0.735 -9.677 463 2HB LYS 57 HB2 LYS 57 9.088 -0.935 -10.511 464 1HG LYS 57 HG1 LYS 57 9.096 1.321 -10.294 465 2HG LYS 57 HG2 LYS 57 8.318 0.898 -8.767 466 1HD LYS 57 HD2 LYS 57 10.088 2.568 -8.456 467 2HD LYS 57 HD1 LYS 57 10.449 1.062 -7.609 468 1HE LYS 57 HE2 LYS 57 12.328 0.772 -8.766 469 2HE LYS 57 HE1 LYS 57 11.493 1.020 -10.299 470 1HZ LYS 57 HZ1 LYS 57 11.825 3.333 -10.166 471 2HZ LYS 57 HZ2 LYS 57 13.315 2.641 -9.759 472 3HZ LYS 57 HZ3 LYS 57 12.312 3.265 -8.547 473 H TYR 58 HN TYR 58 7.489 -0.322 -6.922 474 HA TYR 58 HA TYR 58 5.078 -1.255 -8.318 475 1HB TYR 58 HB2 TYR 58 5.024 -0.910 -5.345 476 2HB TYR 58 HB1 TYR 58 3.996 -1.904 -6.371 477 HD1 TYR 58 HD1 TYR 58 5.760 -3.595 -7.838 478 HD2 TYR 58 HD2 TYR 58 6.123 -2.238 -3.822 479 HE1 TYR 58 HE1 TYR 58 7.122 -5.571 -7.302 480 HE2 TYR 58 HE2 TYR 58 7.487 -4.212 -3.274 481 HH TYR 58 HH TYR 58 8.172 -6.718 -5.697 482 H VAL 59 HN VAL 59 4.168 0.485 -9.159 483 HA VAL 59 HA VAL 59 4.162 2.978 -7.590 484 HB VAL 59 HB VAL 59 5.278 3.266 -9.726 485 1HG1 VAL 59 HG21 VAL 59 3.071 2.970 -11.527 486 2HG1 VAL 59 HG22 VAL 59 3.334 1.459 -10.654 487 3HG1 VAL 59 HG23 VAL 59 4.654 2.192 -11.566 488 1HG2 VAL 59 HG11 VAL 59 2.800 4.615 -10.461 489 2HG2 VAL 59 HG12 VAL 59 4.375 5.286 -10.034 490 3HG2 VAL 59 HG13 VAL 59 3.237 4.830 -8.766 491 H ILE 60 HN ILE 60 2.281 3.327 -6.598 492 HA ILE 60 HA ILE 60 -0.183 2.542 -8.000 493 HB ILE 60 HB ILE 60 -1.162 2.154 -5.682 494 1HG1 ILE 60 HG12 ILE 60 0.380 1.534 -3.919 495 2HG1 ILE 60 HG11 ILE 60 1.764 1.857 -4.950 496 1HG2 ILE 60 HG21 ILE 60 -0.678 -0.108 -5.819 497 2HG2 ILE 60 HG22 ILE 60 0.991 0.176 -6.321 498 3HG2 ILE 60 HG23 ILE 60 -0.334 0.455 -7.455 499 1HD1 ILE 60 HD11 ILE 60 0.962 3.549 -3.115 500 2HD1 ILE 60 HD12 ILE 60 -0.130 4.068 -4.397 501 3HD1 ILE 60 HD13 ILE 60 1.613 4.100 -4.658 502 H GLU 61 HN GLU 61 -1.961 3.881 -7.809 503 HA GLU 61 HA GLU 61 -1.666 6.284 -6.226 504 1HB GLU 61 HB2 GLU 61 -0.806 6.600 -8.672 505 2HB GLU 61 HB1 GLU 61 -2.513 6.617 -9.090 506 1HG GLU 61 HG1 GLU 61 -2.911 8.568 -7.862 507 2HG GLU 61 HG2 GLU 61 -1.390 8.425 -6.982 508 H LYS 62 HN LYS 62 -3.504 7.050 -5.418 509 HA LYS 62 HA LYS 62 -5.654 6.777 -4.608 510 1HB LYS 62 HB2 LYS 62 -5.380 8.520 -6.549 511 2HB LYS 62 HB1 LYS 62 -6.432 7.413 -7.419 512 1HG LYS 62 HG2 LYS 62 -7.016 9.011 -4.957 513 2HG LYS 62 HG1 LYS 62 -7.877 8.987 -6.497 514 1HD LYS 62 HD1 LYS 62 -8.619 6.689 -6.031 515 2HD LYS 62 HD2 LYS 62 -7.778 6.744 -4.482 516 1HE LYS 62 HE1 LYS 62 -9.728 7.446 -3.660 517 2HE LYS 62 HE2 LYS 62 -9.285 9.000 -4.364 518 1HZ LYS 62 HZ1 LYS 62 -10.784 8.780 -6.026 519 2HZ LYS 62 HZ2 LYS 62 -11.573 7.803 -4.892 520 3HZ LYS 62 HZ3 LYS 62 -10.637 7.097 -6.111 521 H GLY 63 HN GLY 63 -6.597 4.939 -4.065 522 1HA GLY 63 HA2 GLY 63 -8.119 3.220 -4.229 523 2HA GLY 63 HA1 GLY 63 -8.431 3.728 -5.880 524 H ASP 64 HN ASP 64 -5.586 2.422 -4.197 525 HA ASP 64 HA ASP 64 -5.658 0.106 -5.992 526 1HB ASP 64 HB1 ASP 64 -4.092 1.996 -6.815 527 2HB ASP 64 HB2 ASP 64 -3.056 1.524 -5.471 528 H LEU 65 HN LEU 65 -4.770 -1.775 -5.160 529 HA LEU 65 HA LEU 65 -3.715 -1.614 -2.427 530 1HB LEU 65 HB1 LEU 65 -4.929 -4.062 -2.452 531 2HB LEU 65 HB2 LEU 65 -5.544 -2.625 -1.668 532 HG LEU 65 HG LEU 65 -6.829 -2.146 -3.785 533 1HD1 LEU 65 HD11 LEU 65 -5.866 -3.345 -5.497 534 2HD1 LEU 65 HD12 LEU 65 -7.218 -4.392 -5.073 535 3HD1 LEU 65 HD13 LEU 65 -5.596 -4.769 -4.493 536 1HD2 LEU 65 HD21 LEU 65 -8.196 -4.475 -3.244 537 2HD2 LEU 65 HD22 LEU 65 -8.362 -2.953 -2.370 538 3HD2 LEU 65 HD23 LEU 65 -7.272 -4.199 -1.768 539 H VAL 66 HN VAL 66 -1.945 -2.806 -2.037 540 HA VAL 66 HA VAL 66 -1.096 -4.739 -4.088 541 HB VAL 66 HB VAL 66 0.672 -2.745 -2.665 542 1HG1 VAL 66 HG21 VAL 66 1.254 -5.086 -4.427 543 2HG1 VAL 66 HG22 VAL 66 2.063 -4.563 -2.950 544 3HG1 VAL 66 HG23 VAL 66 2.318 -3.679 -4.454 545 1HG2 VAL 66 HG11 VAL 66 -0.392 -2.908 -5.465 546 2HG2 VAL 66 HG12 VAL 66 1.066 -1.995 -5.070 547 3HG2 VAL 66 HG13 VAL 66 -0.475 -1.561 -4.329 548 H THR 67 HN THR 67 0.199 -6.466 -3.383 549 HA THR 67 HA THR 67 0.032 -6.983 -0.488 550 HB THR 67 HB THR 67 0.129 -8.920 -2.812 551 HG1 THR 67 HG1 THR 67 -1.980 -9.459 -1.895 552 1HG2 THR 67 HG21 THR 67 -0.070 -9.504 0.131 553 2HG2 THR 67 HG22 THR 67 1.279 -9.905 -0.932 554 3HG2 THR 67 HG23 THR 67 -0.290 -10.676 -1.167 555 H PHE 68 HN PHE 68 1.806 -8.125 0.502 556 HA PHE 68 HA PHE 68 4.294 -8.214 -1.005 557 1HB PHE 68 HB2 PHE 68 4.327 -6.847 1.667 558 2HB PHE 68 HB1 PHE 68 5.533 -6.799 0.389 559 HD1 PHE 68 HD1 PHE 68 2.300 -5.496 1.521 560 HD2 PHE 68 HD2 PHE 68 5.341 -5.271 -1.447 561 HE1 PHE 68 HE1 PHE 68 1.333 -3.390 0.697 562 HE2 PHE 68 HE2 PHE 68 4.379 -3.164 -2.278 563 HZ PHE 68 HZ PHE 68 2.371 -2.226 -1.218 564 HA PRO 69 HA PRO 69 4.775 -11.726 1.644 565 1HB PRO 69 HB1 PRO 69 7.291 -12.431 0.902 566 2HB PRO 69 HB2 PRO 69 5.874 -12.666 -0.124 567 1HG PRO 69 HG1 PRO 69 8.087 -10.789 -0.433 568 2HG PRO 69 HG2 PRO 69 6.855 -11.278 -1.602 569 1HD PRO 69 HD2 PRO 69 6.974 -8.877 0.010 570 2HD PRO 69 HD1 PRO 69 5.849 -9.285 -1.300 571 H LYS 70 HN LYS 70 5.245 -11.963 3.705 572 HA LYS 70 HA LYS 70 6.462 -10.192 5.363 573 1HB LYS 70 HB1 LYS 70 5.184 -12.073 6.201 574 2HB LYS 70 HB2 LYS 70 6.402 -13.203 5.624 575 1HG LYS 70 HG1 LYS 70 7.963 -12.499 7.253 576 2HG LYS 70 HG2 LYS 70 6.980 -11.098 7.687 577 1HD LYS 70 HD1 LYS 70 5.363 -12.425 8.754 578 2HD LYS 70 HD2 LYS 70 5.957 -13.904 7.997 579 1HE LYS 70 HE2 LYS 70 7.212 -14.277 9.787 580 2HE LYS 70 HE1 LYS 70 8.120 -12.811 9.422 581 1HZ LYS 70 HZ1 LYS 70 7.282 -12.691 11.647 582 2HZ LYS 70 HZ2 LYS 70 5.703 -13.014 11.134 583 3HZ LYS 70 HZ3 LYS 70 6.450 -11.558 10.704 584 H GLY 71 HN GLY 71 8.404 -9.291 5.112 585 1HA GLY 71 HA2 GLY 71 10.785 -9.836 5.752 586 2HA GLY 71 HA1 GLY 71 10.691 -11.053 4.488 587 H LEU 72 HN LEU 72 9.072 -9.255 2.776 588 HA LEU 72 HA LEU 72 10.992 -8.235 1.107 589 1HB LEU 72 HB2 LEU 72 8.904 -8.333 0.153 590 2HB LEU 72 HB1 LEU 72 8.104 -7.677 1.560 591 HG LEU 72 HG LEU 72 8.552 -5.458 0.935 592 1HD1 LEU 72 HD11 LEU 72 10.862 -6.617 -0.364 593 2HD1 LEU 72 HD12 LEU 72 10.580 -4.955 0.155 594 3HD1 LEU 72 HD13 LEU 72 10.022 -5.492 -1.430 595 1HD2 LEU 72 HD21 LEU 72 8.229 -6.335 -1.838 596 2HD2 LEU 72 HD22 LEU 72 7.183 -5.336 -0.828 597 3HD2 LEU 72 HD23 LEU 72 7.119 -7.092 -0.697 598 H ARG 73 HN ARG 73 12.268 -6.473 1.031 599 HA ARG 73 HA ARG 73 11.798 -4.350 3.021 600 1HB ARG 73 HB1 ARG 73 13.778 -5.866 3.503 601 2HB ARG 73 HB2 ARG 73 14.523 -5.214 2.050 602 1HG ARG 73 HG1 ARG 73 13.868 -2.930 3.335 603 2HG ARG 73 HG2 ARG 73 14.172 -4.004 4.702 604 1HD ARG 73 HD1 ARG 73 16.219 -4.446 2.802 605 2HD ARG 73 HD2 ARG 73 16.049 -2.702 2.996 606 HE ARG 73 HE ARG 73 17.021 -4.584 4.949 607 1HH1 ARG 73 HH11 ARG 73 15.638 -1.432 4.418 608 2HH1 ARG 73 HH12 ARG 73 16.244 -0.774 5.902 609 1HH2 ARG 73 HH22 ARG 73 17.822 -3.729 6.904 610 2HH2 ARG 73 HH21 ARG 73 17.485 -2.080 7.315 611 H CYS 74 HN CYS 74 11.252 -2.524 2.027 612 HA CYS 74 HA CYS 74 12.758 -1.664 -0.318 613 1HB CYS 74 HB2 CYS 74 10.705 -1.126 -1.572 614 2HB CYS 74 HB1 CYS 74 10.849 -2.854 -1.266 615 HG CYS 74 HG CYS 74 9.079 -2.364 0.758 616 H ARG 75 HN ARG 75 12.415 0.596 -0.860 617 HA ARG 75 HA ARG 75 11.889 2.190 1.538 618 1HB ARG 75 HB2 ARG 75 14.021 2.639 0.563 619 2HB ARG 75 HB1 ARG 75 13.335 2.763 -1.051 620 1HG ARG 75 HG2 ARG 75 13.929 4.950 -0.200 621 2HG ARG 75 HG1 ARG 75 12.182 4.819 -0.404 622 1HD ARG 75 HD2 ARG 75 11.962 5.491 1.701 623 2HD ARG 75 HD1 ARG 75 12.672 3.957 2.196 624 HE ARG 75 HE ARG 75 14.495 5.127 2.879 625 1HH1 ARG 75 HH11 ARG 75 12.900 6.953 0.381 626 2HH1 ARG 75 HH12 ARG 75 13.991 8.294 0.484 627 1HH2 ARG 75 HH21 ARG 75 15.940 6.888 3.023 628 2HH2 ARG 75 HH22 ARG 75 15.719 8.257 1.985 629 H TRP 76 HN TRP 76 10.086 3.351 1.748 630 HA TRP 76 HA TRP 76 8.327 3.621 -0.574 631 1HB TRP 76 HB2 TRP 76 7.917 3.617 2.382 632 2HB TRP 76 HB1 TRP 76 6.761 4.488 1.378 633 HD1 TRP 76 HD1 TRP 76 8.387 1.180 0.308 634 HE1 TRP 76 HE1 TRP 76 6.541 -0.588 0.064 635 HE3 TRP 76 HE3 TRP 76 4.434 3.879 2.104 636 HZ2 TRP 76 HZ2 TRP 76 3.772 -0.816 0.562 637 HZ3 TRP 76 HZ3 TRP 76 2.219 2.810 2.187 638 HH2 TRP 76 HH2 TRP 76 1.897 0.511 1.432 639 H LYS 77 HN LYS 77 7.587 5.557 -1.323 640 HA LYS 77 HA LYS 77 8.409 8.012 0.021 641 1HB LYS 77 HB1 LYS 77 8.904 8.273 -2.824 642 2HB LYS 77 HB2 LYS 77 9.948 8.676 -1.471 643 1HG LYS 77 HG2 LYS 77 10.991 6.608 -1.491 644 2HG LYS 77 HG1 LYS 77 9.668 5.836 -2.366 645 1HD LYS 77 HD1 LYS 77 10.633 7.917 -4.009 646 2HD LYS 77 HD2 LYS 77 12.045 7.052 -3.397 647 1HE LYS 77 HE1 LYS 77 10.544 4.954 -4.043 648 2HE LYS 77 HE2 LYS 77 9.865 6.119 -5.178 649 1HZ LYS 77 HZ1 LYS 77 11.944 6.430 -6.192 650 2HZ LYS 77 HZ2 LYS 77 11.797 4.756 -5.999 651 3HZ LYS 77 HZ3 LYS 77 12.779 5.647 -4.947 652 H VAL 78 HN VAL 78 6.552 9.064 0.238 653 HA VAL 78 HA VAL 78 4.465 8.755 -1.754 654 HB VAL 78 HB VAL 78 2.962 9.763 -0.254 655 1HG1 VAL 78 HG21 VAL 78 4.770 7.738 0.732 656 2HG1 VAL 78 HG22 VAL 78 3.019 7.864 0.901 657 3HG1 VAL 78 HG23 VAL 78 4.080 8.680 2.053 658 1HG2 VAL 78 HG11 VAL 78 3.638 11.657 0.714 659 2HG2 VAL 78 HG12 VAL 78 5.326 11.147 0.768 660 3HG2 VAL 78 HG13 VAL 78 4.204 10.612 2.016 661 H LEU 79 HN LEU 79 4.233 10.080 -3.420 662 HA LEU 79 HA LEU 79 5.911 12.422 -3.639 663 1HB LEU 79 HB2 LEU 79 3.881 11.248 -5.543 664 2HB LEU 79 HB1 LEU 79 4.937 12.596 -5.915 665 HG LEU 79 HG LEU 79 6.897 11.119 -5.651 666 1HD1 LEU 79 HD21 LEU 79 6.376 8.628 -5.660 667 2HD1 LEU 79 HD22 LEU 79 4.772 9.077 -5.076 668 3HD1 LEU 79 HD23 LEU 79 6.203 9.478 -4.125 669 1HD2 LEU 79 HD11 LEU 79 6.358 9.650 -7.656 670 2HD2 LEU 79 HD12 LEU 79 6.153 11.390 -7.863 671 3HD2 LEU 79 HD13 LEU 79 4.745 10.361 -7.602 672 H GLU 80 HN GLU 80 2.569 11.681 -3.081 673 HA GLU 80 HA GLU 80 2.023 14.547 -2.713 674 1HB GLU 80 HB2 GLU 80 0.024 12.625 -3.896 675 2HB GLU 80 HB1 GLU 80 -0.074 14.381 -3.830 676 1HG GLU 80 HG2 GLU 80 2.029 14.330 -5.314 677 2HG GLU 80 HG1 GLU 80 1.593 12.646 -5.609 678 HA PRO 81 HA PRO 81 0.175 13.737 1.240 679 1HB PRO 81 HB2 PRO 81 -2.393 14.634 -0.019 680 2HB PRO 81 HB1 PRO 81 -1.688 15.093 1.537 681 1HG PRO 81 HG2 PRO 81 -1.512 16.736 -0.544 682 2HG PRO 81 HG1 PRO 81 -0.137 16.528 0.555 683 1HD PRO 81 HD1 PRO 81 -0.529 15.487 -2.207 684 2HD PRO 81 HD2 PRO 81 0.966 15.970 -1.382 685 H VAL 82 HN VAL 82 0.132 11.569 1.510 686 HA VAL 82 HA VAL 82 -1.758 10.012 -0.065 687 HB VAL 82 HB VAL 82 0.944 9.633 0.750 688 1HG1 VAL 82 HG21 VAL 82 -0.882 7.453 1.736 689 2HG1 VAL 82 HG22 VAL 82 0.330 8.354 2.650 690 3HG1 VAL 82 HG23 VAL 82 0.833 7.217 1.397 691 1HG2 VAL 82 HG11 VAL 82 -1.010 8.355 -1.081 692 2HG2 VAL 82 HG12 VAL 82 0.511 7.521 -0.759 693 3HG2 VAL 82 HG13 VAL 82 0.524 9.152 -1.431 694 H ARG 83 HN ARG 83 -3.321 8.777 0.723 695 HA ARG 83 HA ARG 83 -3.614 8.442 3.616 696 1HB ARG 83 HB2 ARG 83 -5.030 10.383 2.667 697 2HB ARG 83 HB1 ARG 83 -5.982 9.130 1.885 698 1HG ARG 83 HG1 ARG 83 -7.193 9.045 3.737 699 2HG ARG 83 HG2 ARG 83 -5.801 8.296 4.518 700 1HD ARG 83 HD2 ARG 83 -6.146 10.049 5.940 701 2HD ARG 83 HD1 ARG 83 -5.036 10.802 4.795 702 HE ARG 83 HE ARG 83 -7.436 11.387 3.737 703 1HH1 ARG 83 HH11 ARG 83 -6.157 11.709 6.960 704 2HH1 ARG 83 HH12 ARG 83 -7.129 13.089 7.347 705 1HH2 ARG 83 HH22 ARG 83 -8.721 13.203 4.237 706 2HH2 ARG 83 HH21 ARG 83 -8.588 13.938 5.798 707 H LYS 84 HN LYS 84 -3.524 6.272 3.853 708 HA LYS 84 HA LYS 84 -4.955 4.643 1.860 709 1HB LYS 84 HB2 LYS 84 -2.867 4.021 1.269 710 2HB LYS 84 HB1 LYS 84 -2.165 4.592 2.769 711 1HG LYS 84 HG2 LYS 84 -3.718 2.058 2.817 712 2HG LYS 84 HG1 LYS 84 -2.111 2.058 2.098 713 1HD LYS 84 HD2 LYS 84 -2.798 2.970 4.889 714 2HD LYS 84 HD1 LYS 84 -2.008 1.451 4.457 715 1HE LYS 84 HE2 LYS 84 -0.575 3.585 3.240 716 2HE LYS 84 HE1 LYS 84 -0.826 3.986 4.938 717 1HZ LYS 84 HZ1 LYS 84 1.230 2.633 4.294 718 2HZ LYS 84 HZ2 LYS 84 0.169 1.323 4.148 719 3HZ LYS 84 HZ3 LYS 84 0.330 2.120 5.630 720 H HIS 85 HN HIS 85 -5.763 2.623 2.525 721 HA HIS 85 HA HIS 85 -6.536 2.537 5.351 722 1HB HIS 85 HB1 HIS 85 -7.700 0.957 3.049 723 2HB HIS 85 HB2 HIS 85 -8.368 1.121 4.670 724 HD1 HIS 85 HD1 HIS 85 -10.463 2.428 4.358 725 HD2 HIS 85 HD2 HIS 85 -7.272 4.027 2.236 726 HE1 HIS 85 HE1 HIS 85 -11.326 4.572 3.368 727 HE2 HIS 85 HE2 HIS 85 -9.379 5.525 2.085 728 H TYR 86 HN TYR 86 -6.655 0.315 6.324 729 HA TYR 86 HA TYR 86 -4.308 -1.226 5.430 730 1HB TYR 86 HB2 TYR 86 -5.336 -0.568 8.173 731 2HB TYR 86 HB1 TYR 86 -4.168 -1.856 7.906 732 HD1 TYR 86 HD1 TYR 86 -4.560 1.532 8.663 733 HD2 TYR 86 HD2 TYR 86 -2.062 -1.130 6.489 734 HE1 TYR 86 HE1 TYR 86 -2.758 3.182 8.736 735 HE2 TYR 86 HE2 TYR 86 -0.239 0.510 6.558 736 HH TYR 86 HH TYR 86 0.134 2.765 8.504 737 H ASN 87 HN ASN 87 -4.225 -3.446 5.789 738 HA ASN 87 HA ASN 87 -6.623 -4.860 6.603 739 1HB ASN 87 HB2 ASN 87 -6.748 -4.381 4.074 740 2HB ASN 87 HB1 ASN 87 -5.416 -5.525 3.920 741 1HD2 ASN 87 HD22 ASN 87 -8.742 -5.140 4.950 742 2HD2 ASN 87 HD21 ASN 87 -9.177 -6.805 4.807 743 H LEU 88 HN LEU 88 -4.538 -4.870 8.124 744 HA LEU 88 HA LEU 88 -2.618 -6.901 7.375 745 1HB LEU 88 HB1 LEU 88 -2.653 -5.964 10.167 746 2HB LEU 88 HB2 LEU 88 -1.313 -6.116 9.049 747 HG LEU 88 HG LEU 88 -3.282 -3.821 9.164 748 1HD1 LEU 88 HD21 LEU 88 -0.670 -4.346 10.366 749 2HD1 LEU 88 HD22 LEU 88 -1.916 -3.181 10.812 750 3HD1 LEU 88 HD23 LEU 88 -0.784 -2.807 9.512 751 1HD2 LEU 88 HD11 LEU 88 -0.834 -4.002 7.443 752 2HD2 LEU 88 HD12 LEU 88 -2.130 -2.809 7.395 753 3HD2 LEU 88 HD13 LEU 88 -2.436 -4.462 6.864 754 H PHE 89 HN PHE 89 -2.510 -8.954 8.091 755 HA PHE 89 HA PHE 89 -4.855 -9.989 9.470 756 1HB PHE 89 HB2 PHE 89 -2.508 -11.515 8.323 757 2HB PHE 89 HB1 PHE 89 -4.064 -12.180 8.806 758 HD1 PHE 89 HD1 PHE 89 -5.927 -10.237 7.633 759 HD2 PHE 89 HD2 PHE 89 -2.363 -11.940 6.050 760 HE1 PHE 89 HE1 PHE 89 -6.783 -9.899 5.350 761 HE2 PHE 89 HE2 PHE 89 -3.212 -11.606 3.765 762 HZ PHE 89 HZ PHE 89 -5.425 -10.584 3.413 Start of MODEL 6 1 1H MET 1 HT1 MET 1 8.642 -13.355 -2.594 2 2H MET 1 HT2 MET 1 8.457 -14.040 -4.157 3 3H MET 1 HT3 MET 1 7.131 -14.017 -3.066 4 HA MET 1 HA MET 1 7.535 -11.494 -3.098 5 1HB MET 1 HB1 MET 1 8.848 -12.553 -5.598 6 2HB MET 1 HB2 MET 1 8.207 -10.918 -5.510 7 1HG MET 1 HG2 MET 1 10.116 -10.250 -4.631 8 2HG MET 1 HG1 MET 1 9.800 -11.266 -3.226 9 1HE MET 1 HE1 MET 1 12.459 -10.279 -5.277 10 2HE MET 1 HE2 MET 1 13.586 -11.590 -4.929 11 3HE MET 1 HE3 MET 1 12.756 -10.768 -3.609 12 H GLU 2 HN GLU 2 5.429 -11.075 -3.166 13 HA GLU 2 HA GLU 2 3.910 -11.899 -5.535 14 1HB GLU 2 HB1 GLU 2 2.794 -12.121 -2.739 15 2HB GLU 2 HB2 GLU 2 2.046 -12.660 -4.236 16 1HG GLU 2 HG1 GLU 2 4.272 -14.114 -4.352 17 2HG GLU 2 HG2 GLU 2 4.159 -13.925 -2.602 18 H VAL 3 HN VAL 3 4.750 -9.464 -5.602 19 HA VAL 3 HA VAL 3 2.800 -7.708 -4.307 20 HB VAL 3 HB VAL 3 4.998 -6.648 -6.029 21 1HG1 VAL 3 HG21 VAL 3 4.934 -4.831 -4.354 22 2HG1 VAL 3 HG22 VAL 3 3.634 -5.684 -3.521 23 3HG1 VAL 3 HG23 VAL 3 3.386 -5.083 -5.161 24 1HG2 VAL 3 HG11 VAL 3 6.369 -6.569 -3.845 25 2HG2 VAL 3 HG12 VAL 3 6.330 -8.076 -4.760 26 3HG2 VAL 3 HG13 VAL 3 5.327 -7.891 -3.322 27 H LYS 4 HN LYS 4 1.131 -6.874 -5.357 28 HA LYS 4 HA LYS 4 1.208 -6.769 -8.291 29 1HB LYS 4 HB1 LYS 4 -0.963 -7.732 -8.489 30 2HB LYS 4 HB2 LYS 4 -0.025 -8.803 -7.463 31 1HG LYS 4 HG2 LYS 4 -1.418 -6.841 -5.884 32 2HG LYS 4 HG1 LYS 4 -2.533 -7.717 -6.935 33 1HD LYS 4 HD1 LYS 4 -1.526 -9.844 -6.107 34 2HD LYS 4 HD2 LYS 4 -0.592 -8.890 -4.954 35 1HE LYS 4 HE1 LYS 4 -2.548 -9.754 -3.853 36 2HE LYS 4 HE2 LYS 4 -2.714 -8.008 -4.031 37 1HZ LYS 4 HZ1 LYS 4 -3.846 -9.757 -6.098 38 2HZ LYS 4 HZ2 LYS 4 -4.358 -8.229 -5.584 39 3HZ LYS 4 HZ3 LYS 4 -4.673 -9.592 -4.632 40 H ILE 5 HN ILE 5 -0.139 -5.202 -9.252 41 HA ILE 5 HA ILE 5 -1.083 -3.113 -7.394 42 HB ILE 5 HB ILE 5 -0.124 -2.663 -10.219 43 1HG1 ILE 5 HG11 ILE 5 1.794 -3.380 -8.980 44 2HG1 ILE 5 HG12 ILE 5 1.879 -1.625 -9.088 45 1HG2 ILE 5 HG21 ILE 5 -1.765 -1.063 -9.090 46 2HG2 ILE 5 HG22 ILE 5 -0.295 -0.372 -9.777 47 3HG2 ILE 5 HG23 ILE 5 -0.421 -0.626 -8.037 48 1HD1 ILE 5 HD11 ILE 5 1.217 -3.326 -6.723 49 2HD1 ILE 5 HD12 ILE 5 0.766 -1.623 -6.787 50 3HD1 ILE 5 HD13 ILE 5 2.463 -2.090 -6.893 51 H GLU 6 HN GLU 6 -3.222 -2.881 -7.388 52 HA GLU 6 HA GLU 6 -4.700 -2.981 -9.890 53 1HB GLU 6 HB1 GLU 6 -4.811 -5.095 -7.835 54 2HB GLU 6 HB2 GLU 6 -6.374 -4.514 -8.391 55 1HG GLU 6 HG1 GLU 6 -4.174 -5.720 -10.046 56 2HG GLU 6 HG2 GLU 6 -5.767 -6.397 -9.711 57 H LYS 7 HN LYS 7 -6.781 -2.044 -9.781 58 HA LYS 7 HA LYS 7 -7.202 -0.405 -7.378 59 1HB LYS 7 HB1 LYS 7 -7.673 0.114 -10.283 60 2HB LYS 7 HB2 LYS 7 -8.688 0.923 -9.097 61 1HG LYS 7 HG1 LYS 7 -7.056 2.324 -8.466 62 2HG LYS 7 HG2 LYS 7 -5.812 1.072 -8.546 63 1HD LYS 7 HD1 LYS 7 -7.013 2.501 -10.916 64 2HD LYS 7 HD2 LYS 7 -5.440 2.853 -10.198 65 1HE LYS 7 HE2 LYS 7 -5.100 0.253 -10.611 66 2HE LYS 7 HE1 LYS 7 -6.302 0.553 -11.866 67 1HZ LYS 7 HZ1 LYS 7 -4.821 1.622 -13.117 68 2HZ LYS 7 HZ2 LYS 7 -3.636 0.939 -12.122 69 3HZ LYS 7 HZ3 LYS 7 -4.196 2.505 -11.818 70 HA PRO 8 HA PRO 8 -10.570 -3.457 -6.983 71 1HB PRO 8 HB1 PRO 8 -11.446 -2.227 -4.611 72 2HB PRO 8 HB2 PRO 8 -10.398 -3.640 -4.741 73 1HG PRO 8 HG2 PRO 8 -9.691 -0.788 -4.285 74 2HG PRO 8 HG1 PRO 8 -8.893 -2.253 -3.688 75 1HD PRO 8 HD2 PRO 8 -7.843 -0.794 -5.664 76 2HD PRO 8 HD1 PRO 8 -7.715 -2.563 -5.655 77 H THR 9 HN THR 9 -12.572 -3.342 -7.734 78 HA THR 9 HA THR 9 -13.691 -0.748 -8.403 79 HB THR 9 HB THR 9 -15.350 -3.067 -9.010 80 HG1 THR 9 HG1 THR 9 -13.899 -4.065 -10.401 81 1HG2 THR 9 HG21 THR 9 -14.615 -2.206 -11.403 82 2HG2 THR 9 HG22 THR 9 -14.205 -0.770 -10.465 83 3HG2 THR 9 HG23 THR 9 -15.852 -1.400 -10.437 84 HA PRO 10 HA PRO 10 -16.567 -0.116 -5.121 85 1HB PRO 10 HB1 PRO 10 -18.887 -0.097 -6.800 86 2HB PRO 10 HB2 PRO 10 -18.035 1.283 -6.108 87 1HG PRO 10 HG1 PRO 10 -17.841 0.114 -8.813 88 2HG PRO 10 HG2 PRO 10 -17.495 1.765 -8.272 89 1HD PRO 10 HD2 PRO 10 -15.534 0.061 -8.958 90 2HD PRO 10 HD1 PRO 10 -15.327 1.239 -7.645 91 H GLU 11 HN GLU 11 -17.190 -2.574 -7.554 92 HA GLU 11 HA GLU 11 -19.204 -3.981 -6.167 93 1HB GLU 11 HB2 GLU 11 -17.831 -4.237 -8.613 94 2HB GLU 11 HB1 GLU 11 -17.557 -5.743 -7.747 95 1HG GLU 11 HG1 GLU 11 -20.306 -4.587 -8.029 96 2HG GLU 11 HG2 GLU 11 -19.586 -5.578 -9.297 97 H LYS 12 HN LYS 12 -15.680 -4.274 -6.211 98 HA LYS 12 HA LYS 12 -15.627 -6.529 -4.445 99 1HB LYS 12 HB1 LYS 12 -13.519 -4.643 -5.481 100 2HB LYS 12 HB2 LYS 12 -13.146 -5.894 -4.303 101 1HG LYS 12 HG2 LYS 12 -14.596 -7.078 -6.444 102 2HG LYS 12 HG1 LYS 12 -13.283 -6.109 -7.116 103 1HD LYS 12 HD2 LYS 12 -12.776 -7.965 -4.822 104 2HD LYS 12 HD1 LYS 12 -12.835 -8.581 -6.474 105 1HE LYS 12 HE1 LYS 12 -10.986 -7.321 -7.138 106 2HE LYS 12 HE2 LYS 12 -11.121 -6.229 -5.762 107 1HZ LYS 12 HZ1 LYS 12 -10.027 -7.648 -4.411 108 2HZ LYS 12 HZ2 LYS 12 -9.355 -8.186 -5.867 109 3HZ LYS 12 HZ3 LYS 12 -10.636 -9.037 -5.161 110 H LEU 13 HN LEU 13 -15.563 -3.073 -4.115 111 HA LEU 13 HA LEU 13 -14.517 -2.882 -1.518 112 1HB LEU 13 HB1 LEU 13 -16.442 -1.079 -2.979 113 2HB LEU 13 HB2 LEU 13 -15.650 -0.667 -1.469 114 HG LEU 13 HG LEU 13 -14.291 -1.171 -4.120 115 1HD1 LEU 13 HD11 LEU 13 -15.184 0.960 -4.278 116 2HD1 LEU 13 HD12 LEU 13 -13.577 1.270 -3.621 117 3HD1 LEU 13 HD13 LEU 13 -14.983 1.283 -2.556 118 1HD2 LEU 13 HD21 LEU 13 -13.284 -1.183 -1.386 119 2HD2 LEU 13 HD22 LEU 13 -12.447 -0.038 -2.434 120 3HD2 LEU 13 HD23 LEU 13 -12.529 -1.744 -2.878 121 H LYS 14 HN LYS 14 -17.713 -3.693 -2.675 122 HA LYS 14 HA LYS 14 -19.186 -3.150 -0.352 123 1HB LYS 14 HB1 LYS 14 -19.535 -5.008 -2.669 124 2HB LYS 14 HB2 LYS 14 -20.596 -5.178 -1.277 125 1HG LYS 14 HG2 LYS 14 -20.389 -2.420 -2.103 126 2HG LYS 14 HG1 LYS 14 -20.919 -3.458 -3.429 127 1HD LYS 14 HD2 LYS 14 -22.300 -4.253 -1.077 128 2HD LYS 14 HD1 LYS 14 -22.426 -2.498 -1.222 129 1HE LYS 14 HE1 LYS 14 -22.964 -4.323 -3.543 130 2HE LYS 14 HE2 LYS 14 -24.217 -3.918 -2.371 131 1HZ LYS 14 HZ1 LYS 14 -23.072 -2.306 -4.472 132 2HZ LYS 14 HZ2 LYS 14 -23.222 -1.500 -2.992 133 3HZ LYS 14 HZ3 LYS 14 -24.583 -2.191 -3.721 134 H GLU 15 HN GLU 15 -17.599 -6.168 -1.390 135 HA GLU 15 HA GLU 15 -18.121 -7.440 1.158 136 1HB GLU 15 HB1 GLU 15 -16.740 -8.251 -1.378 137 2HB GLU 15 HB2 GLU 15 -16.482 -9.182 0.090 138 1HG GLU 15 HG2 GLU 15 -19.261 -8.797 -0.157 139 2HG GLU 15 HG1 GLU 15 -18.659 -9.278 -1.743 140 H LEU 16 HN LEU 16 -15.481 -5.869 -0.490 141 HA LEU 16 HA LEU 16 -13.587 -6.473 1.626 142 1HB LEU 16 HB1 LEU 16 -13.301 -4.946 -0.959 143 2HB LEU 16 HB2 LEU 16 -11.993 -5.213 0.177 144 HG LEU 16 HG LEU 16 -13.501 -7.504 -1.054 145 1HD1 LEU 16 HD21 LEU 16 -10.940 -7.075 -2.264 146 2HD1 LEU 16 HD22 LEU 16 -11.955 -5.648 -2.479 147 3HD1 LEU 16 HD23 LEU 16 -12.524 -7.226 -3.024 148 1HD2 LEU 16 HD11 LEU 16 -10.802 -8.094 -0.608 149 2HD2 LEU 16 HD12 LEU 16 -12.195 -8.671 0.307 150 3HD2 LEU 16 HD13 LEU 16 -11.347 -7.212 0.819 151 H SER 17 HN SER 17 -15.997 -4.552 1.823 152 HA SER 17 HA SER 17 -15.725 -1.964 1.883 153 1HB SER 17 HB1 SER 17 -16.526 -3.572 4.317 154 2HB SER 17 HB2 SER 17 -16.846 -1.850 4.112 155 HG SER 17 HG SER 17 -18.550 -2.429 3.048 156 H VAL 18 HN VAL 18 -13.613 -1.255 1.811 157 HA VAL 18 HA VAL 18 -11.763 -1.599 3.944 158 HB VAL 18 HB VAL 18 -11.667 0.589 1.881 159 1HG1 VAL 18 HG11 VAL 18 -9.497 0.839 2.428 160 2HG1 VAL 18 HG12 VAL 18 -9.258 -0.881 2.726 161 3HG1 VAL 18 HG13 VAL 18 -10.017 0.130 3.955 162 1HG2 VAL 18 HG21 VAL 18 -11.917 -1.137 0.417 163 2HG2 VAL 18 HG22 VAL 18 -11.309 -2.337 1.556 164 3HG2 VAL 18 HG23 VAL 18 -10.184 -1.273 0.713 165 H GLU 19 HN GLU 19 -14.395 0.513 3.385 166 HA GLU 19 HA GLU 19 -13.724 2.848 4.677 167 1HB GLU 19 HB1 GLU 19 -16.227 2.786 5.391 168 2HB GLU 19 HB2 GLU 19 -15.830 2.830 3.678 169 1HG GLU 19 HG1 GLU 19 -16.722 0.819 3.299 170 2HG GLU 19 HG2 GLU 19 -16.022 0.125 4.763 171 H LYS 20 HN LYS 20 -14.531 -0.271 6.043 172 HA LYS 20 HA LYS 20 -14.620 0.776 8.744 173 1HB LYS 20 HB1 LYS 20 -14.856 -1.766 9.259 174 2HB LYS 20 HB2 LYS 20 -16.191 -0.906 8.511 175 1HG LYS 20 HG2 LYS 20 -15.716 -1.835 6.386 176 2HG LYS 20 HG1 LYS 20 -14.164 -2.468 6.937 177 1HD LYS 20 HD1 LYS 20 -15.760 -4.272 6.823 178 2HD LYS 20 HD2 LYS 20 -15.371 -3.946 8.513 179 1HE LYS 20 HE2 LYS 20 -17.649 -2.419 7.488 180 2HE LYS 20 HE1 LYS 20 -17.894 -4.166 7.491 181 1HZ LYS 20 HZ1 LYS 20 -17.698 -4.279 9.766 182 2HZ LYS 20 HZ2 LYS 20 -18.484 -2.793 9.581 183 3HZ LYS 20 HZ3 LYS 20 -16.821 -2.838 9.888 184 H TRP 21 HN TRP 21 -12.115 0.080 6.741 185 HA TRP 21 HA TRP 21 -10.463 -1.274 8.719 186 1HB TRP 21 HB2 TRP 21 -9.674 -0.263 5.979 187 2HB TRP 21 HB1 TRP 21 -8.777 -1.387 6.992 188 HD1 TRP 21 HD1 TRP 21 -12.253 -2.425 7.256 189 HE1 TRP 21 HE1 TRP 21 -12.799 -4.337 5.631 190 HE3 TRP 21 HE3 TRP 21 -8.128 -2.134 4.240 191 HZ2 TRP 21 HZ2 TRP 21 -11.631 -5.575 3.378 192 HZ3 TRP 21 HZ3 TRP 21 -7.917 -3.726 2.378 193 HH2 TRP 21 HH2 TRP 21 -9.636 -5.409 1.955 194 HA PRO 22 HA PRO 22 -8.324 2.177 10.430 195 1HB PRO 22 HB2 PRO 22 -5.743 1.142 9.404 196 2HB PRO 22 HB1 PRO 22 -6.231 1.505 11.062 197 1HG PRO 22 HG1 PRO 22 -5.998 -1.017 10.186 198 2HG PRO 22 HG2 PRO 22 -7.241 -0.543 11.355 199 1HD PRO 22 HD2 PRO 22 -7.496 -1.126 8.440 200 2HD PRO 22 HD1 PRO 22 -8.638 -1.450 9.758 201 H ILE 23 HN ILE 23 -6.791 3.985 9.902 202 HA ILE 23 HA ILE 23 -6.488 4.432 7.024 203 HB ILE 23 HB ILE 23 -8.595 5.551 7.896 204 1HG1 ILE 23 HG12 ILE 23 -7.072 7.822 6.918 205 2HG1 ILE 23 HG11 ILE 23 -6.678 6.352 6.031 206 1HG2 ILE 23 HG21 ILE 23 -6.750 7.617 9.042 207 2HG2 ILE 23 HG22 ILE 23 -7.396 6.309 10.034 208 3HG2 ILE 23 HG23 ILE 23 -8.494 7.447 9.251 209 1HD1 ILE 23 HD11 ILE 23 -9.478 7.353 6.461 210 2HD1 ILE 23 HD12 ILE 23 -8.957 6.039 5.407 211 3HD1 ILE 23 HD13 ILE 23 -8.503 7.701 5.033 212 H TRP 24 HN TRP 24 -4.683 5.548 6.439 213 HA TRP 24 HA TRP 24 -2.947 6.495 8.624 214 1HB TRP 24 HB2 TRP 24 -2.356 4.317 7.213 215 2HB TRP 24 HB1 TRP 24 -1.760 5.512 6.065 216 HD1 TRP 24 HD1 TRP 24 -1.405 5.422 9.931 217 HE1 TRP 24 HE1 TRP 24 1.097 5.625 10.497 218 HE3 TRP 24 HE3 TRP 24 0.501 5.483 5.186 219 HZ2 TRP 24 HZ2 TRP 24 3.554 5.791 9.116 220 HZ3 TRP 24 HZ3 TRP 24 2.936 5.667 4.896 221 HH2 TRP 24 HH2 TRP 24 4.432 5.817 6.821 222 H GLU 25 HN GLU 25 -1.640 8.309 8.185 223 HA GLU 25 HA GLU 25 -2.350 9.803 5.750 224 1HB GLU 25 HB2 GLU 25 -1.897 11.853 7.373 225 2HB GLU 25 HB1 GLU 25 -3.487 11.115 7.243 226 1HG GLU 25 HG1 GLU 25 -3.211 9.933 9.269 227 2HG GLU 25 HG2 GLU 25 -1.489 10.309 9.333 228 H LYS 26 HN LYS 26 -0.656 10.811 4.694 229 HA LYS 26 HA LYS 26 1.915 11.031 6.013 230 1HB LYS 26 HB2 LYS 26 1.727 8.659 5.184 231 2HB LYS 26 HB1 LYS 26 1.681 9.309 3.552 232 1HG LYS 26 HG1 LYS 26 3.911 8.564 4.091 233 2HG LYS 26 HG2 LYS 26 3.888 10.317 3.898 234 1HD LYS 26 HD2 LYS 26 3.349 9.695 6.625 235 2HD LYS 26 HD1 LYS 26 4.787 8.807 6.116 236 1HE LYS 26 HE2 LYS 26 6.024 10.663 6.024 237 2HE LYS 26 HE1 LYS 26 4.771 11.550 5.159 238 1HZ LYS 26 HZ1 LYS 26 5.175 12.592 7.261 239 2HZ LYS 26 HZ2 LYS 26 4.939 11.138 8.093 240 3HZ LYS 26 HZ3 LYS 26 3.640 11.882 7.305 241 H GLU 27 HN GLU 27 2.955 12.748 5.364 242 HA GLU 27 HA GLU 27 2.096 14.313 3.099 243 1HB GLU 27 HB1 GLU 27 3.861 15.857 3.754 244 2HB GLU 27 HB2 GLU 27 2.938 15.380 5.173 245 1HG GLU 27 HG2 GLU 27 4.675 14.280 6.109 246 2HG GLU 27 HG1 GLU 27 5.344 13.784 4.555 247 H VAL 28 HN VAL 28 3.592 14.966 1.404 248 HA VAL 28 HA VAL 28 4.497 12.765 -0.032 249 HB VAL 28 HB VAL 28 5.143 14.260 -1.706 250 1HG1 VAL 28 HG21 VAL 28 3.131 15.976 -0.355 251 2HG1 VAL 28 HG22 VAL 28 2.711 14.316 -0.767 252 3HG1 VAL 28 HG23 VAL 28 3.211 15.438 -2.032 253 1HG2 VAL 28 HG11 VAL 28 6.633 15.807 -0.992 254 2HG2 VAL 28 HG12 VAL 28 5.785 16.073 0.530 255 3HG2 VAL 28 HG13 VAL 28 5.190 16.823 -0.952 256 H SER 29 HN SER 29 5.903 12.200 2.177 257 HA SER 29 HA SER 29 8.647 13.158 1.835 258 1HB SER 29 HB1 SER 29 7.129 12.654 4.120 259 2HB SER 29 HB2 SER 29 8.236 11.285 4.022 260 HG SER 29 HG SER 29 9.026 14.004 3.860 261 H GLU 30 HN GLU 30 9.907 10.910 2.993 262 HA GLU 30 HA GLU 30 9.204 8.620 1.367 263 1HB GLU 30 HB1 GLU 30 12.013 9.716 1.250 264 2HB GLU 30 HB2 GLU 30 11.349 8.373 0.329 265 1HG GLU 30 HG2 GLU 30 9.709 10.163 -0.596 266 2HG GLU 30 HG1 GLU 30 10.931 11.304 -0.030 267 H PHE 31 HN PHE 31 9.313 6.881 2.601 268 HA PHE 31 HA PHE 31 11.238 6.851 4.829 269 1HB PHE 31 HB2 PHE 31 9.327 5.385 5.936 270 2HB PHE 31 HB1 PHE 31 9.328 7.140 6.067 271 HD1 PHE 31 HD1 PHE 31 7.441 4.305 5.180 272 HD2 PHE 31 HD2 PHE 31 8.004 8.414 4.223 273 HE1 PHE 31 HE1 PHE 31 5.196 4.375 4.175 274 HE2 PHE 31 HE2 PHE 31 5.760 8.491 3.217 275 HZ PHE 31 HZ PHE 31 4.352 6.473 3.193 276 H ASP 32 HN ASP 32 12.077 4.841 5.442 277 HA ASP 32 HA ASP 32 12.165 2.868 3.330 278 1HB ASP 32 HB2 ASP 32 13.689 1.661 4.953 279 2HB ASP 32 HB1 ASP 32 14.235 3.263 4.465 280 H TRP 33 HN TRP 33 11.063 0.964 3.279 281 HA TRP 33 HA TRP 33 9.287 0.426 5.566 282 1HB TRP 33 HB2 TRP 33 8.281 1.092 3.309 283 2HB TRP 33 HB1 TRP 33 8.801 -0.490 2.735 284 HD1 TRP 33 HD1 TRP 33 7.260 0.123 6.212 285 HE1 TRP 33 HE1 TRP 33 5.055 -1.198 6.360 286 HE3 TRP 33 HE3 TRP 33 6.997 -1.558 1.392 287 HZ2 TRP 33 HZ2 TRP 33 3.420 -2.749 4.658 288 HZ3 TRP 33 HZ3 TRP 33 5.081 -2.954 0.732 289 HH2 TRP 33 HH2 TRP 33 3.331 -3.534 2.330 290 H TYR 34 HN TYR 34 9.165 -1.550 6.445 291 HA TYR 34 HA TYR 34 10.688 -3.742 5.219 292 1HB TYR 34 HB1 TYR 34 12.077 -2.753 7.001 293 2HB TYR 34 HB2 TYR 34 10.764 -2.983 8.150 294 HD1 TYR 34 HD1 TYR 34 13.716 -4.379 6.832 295 HD2 TYR 34 HD2 TYR 34 9.909 -5.450 8.398 296 HE1 TYR 34 HE1 TYR 34 14.567 -6.628 7.348 297 HE2 TYR 34 HE2 TYR 34 10.749 -7.702 8.919 298 HH TYR 34 HH TYR 34 12.906 -8.811 9.339 299 H TYR 35 HN TYR 35 9.362 -5.396 4.889 300 HA TYR 35 HA TYR 35 6.806 -5.497 6.210 301 1HB TYR 35 HB2 TYR 35 7.636 -6.212 3.727 302 2HB TYR 35 HB1 TYR 35 7.606 -7.782 4.524 303 HD1 TYR 35 HD1 TYR 35 5.502 -4.741 4.049 304 HD2 TYR 35 HD2 TYR 35 5.623 -8.952 4.598 305 HE1 TYR 35 HE1 TYR 35 3.072 -4.846 3.712 306 HE2 TYR 35 HE2 TYR 35 3.196 -9.072 4.266 307 HH TYR 35 HH TYR 35 1.196 -7.095 4.637 308 H ASP 36 HN ASP 36 5.948 -7.434 7.207 309 HA ASP 36 HA ASP 36 7.520 -9.584 8.088 310 1HB ASP 36 HB1 ASP 36 7.745 -8.976 10.489 311 2HB ASP 36 HB2 ASP 36 8.714 -7.953 9.432 312 H THR 37 HN THR 37 4.899 -9.067 7.062 313 HA THR 37 HA THR 37 3.360 -10.840 8.540 314 HB THR 37 HB THR 37 2.934 -9.451 10.325 315 HG1 THR 37 HG1 THR 37 0.869 -8.888 10.150 316 1HG2 THR 37 HG21 THR 37 2.464 -6.982 10.061 317 2HG2 THR 37 HG22 THR 37 3.117 -7.139 8.432 318 3HG2 THR 37 HG23 THR 37 4.132 -7.505 9.827 319 H ASN 38 HN ASN 38 2.038 -11.659 7.055 320 HA ASN 38 HA ASN 38 1.594 -10.592 4.532 321 1HB ASN 38 HB1 ASN 38 0.575 -12.827 6.094 322 2HB ASN 38 HB2 ASN 38 -0.668 -12.143 5.050 323 1HD2 ASN 38 HD21 ASN 38 -0.544 -12.421 2.882 324 2HD2 ASN 38 HD22 ASN 38 0.663 -13.381 2.102 325 H GLU 39 HN GLU 39 0.983 -8.451 4.584 326 HA GLU 39 HA GLU 39 -1.720 -7.944 5.629 327 1HB GLU 39 HB1 GLU 39 -0.997 -6.216 6.855 328 2HB GLU 39 HB2 GLU 39 0.619 -6.831 6.580 329 1HG GLU 39 HG2 GLU 39 0.401 -5.305 4.405 330 2HG GLU 39 HG1 GLU 39 -0.721 -4.448 5.459 331 H THR 40 HN THR 40 -2.847 -6.117 4.611 332 HA THR 40 HA THR 40 -2.018 -5.530 1.873 333 HB THR 40 HB THR 40 -4.676 -6.742 2.648 334 HG1 THR 40 HG1 THR 40 -4.037 -8.397 1.448 335 1HG2 THR 40 HG21 THR 40 -4.711 -6.503 -0.078 336 2HG2 THR 40 HG22 THR 40 -4.075 -4.946 0.450 337 3HG2 THR 40 HG23 THR 40 -5.627 -5.517 1.062 338 H CYS 41 HN CYS 41 -2.524 -3.464 1.239 339 HA CYS 41 HA CYS 41 -4.279 -1.920 3.028 340 1HB CYS 41 HB2 CYS 41 -2.567 0.016 2.458 341 2HB CYS 41 HB1 CYS 41 -2.300 -1.072 3.817 342 HG CYS 41 HG CYS 41 -0.272 -1.946 2.730 343 H TYR 42 HN TYR 42 -5.181 -0.001 2.077 344 HA TYR 42 HA TYR 42 -5.233 -0.061 -0.865 345 1HB TYR 42 HB1 TYR 42 -7.296 -1.010 -0.383 346 2HB TYR 42 HB2 TYR 42 -7.489 -0.092 1.103 347 HD1 TYR 42 HD1 TYR 42 -8.451 2.136 1.077 348 HD2 TYR 42 HD2 TYR 42 -7.911 -0.048 -2.533 349 HE1 TYR 42 HE1 TYR 42 -9.930 3.716 -0.093 350 HE2 TYR 42 HE2 TYR 42 -9.386 1.522 -3.713 351 HH TYR 42 HH TYR 42 -10.135 3.919 -3.422 352 H ILE 43 HN ILE 43 -5.041 1.855 -1.868 353 HA ILE 43 HA ILE 43 -4.336 4.155 -0.304 354 HB ILE 43 HB ILE 43 -4.683 3.880 -3.286 355 1HG1 ILE 43 HG11 ILE 43 -2.866 2.529 -2.000 356 2HG1 ILE 43 HG12 ILE 43 -2.409 3.412 -3.451 357 1HG2 ILE 43 HG21 ILE 43 -4.927 6.190 -2.653 358 2HG2 ILE 43 HG22 ILE 43 -3.359 5.959 -3.427 359 3HG2 ILE 43 HG23 ILE 43 -3.463 6.111 -1.674 360 1HD1 ILE 43 HD11 ILE 43 -1.214 4.985 -2.286 361 2HD1 ILE 43 HD12 ILE 43 -0.932 3.535 -1.319 362 3HD1 ILE 43 HD13 ILE 43 -2.122 4.724 -0.795 363 H LEU 44 HN LEU 44 -5.312 6.200 -0.386 364 HA LEU 44 HA LEU 44 -8.172 6.191 -1.093 365 1HB LEU 44 HB2 LEU 44 -7.744 6.242 1.353 366 2HB LEU 44 HB1 LEU 44 -6.841 7.730 1.140 367 HG LEU 44 HG LEU 44 -8.907 8.822 0.296 368 1HD1 LEU 44 HD21 LEU 44 -10.208 7.084 -0.573 369 2HD1 LEU 44 HD22 LEU 44 -11.059 7.579 0.891 370 3HD1 LEU 44 HD23 LEU 44 -10.066 6.122 0.898 371 1HD2 LEU 44 HD11 LEU 44 -10.142 8.373 2.654 372 2HD2 LEU 44 HD12 LEU 44 -8.749 9.435 2.453 373 3HD2 LEU 44 HD13 LEU 44 -8.521 7.780 3.017 374 H GLU 45 HN GLU 45 -5.151 7.961 -1.055 375 HA GLU 45 HA GLU 45 -5.653 9.400 -3.378 376 1HB GLU 45 HB2 GLU 45 -5.864 11.707 -2.355 377 2HB GLU 45 HB1 GLU 45 -7.299 10.695 -2.252 378 1HG GLU 45 HG1 GLU 45 -6.797 10.171 0.058 379 2HG GLU 45 HG2 GLU 45 -5.306 11.106 -0.032 380 H GLY 46 HN GLY 46 -3.565 9.221 -3.997 381 1HA GLY 46 HA1 GLY 46 -1.567 10.899 -3.145 382 2HA GLY 46 HA2 GLY 46 -1.395 9.469 -2.141 383 H LYS 47 HN LYS 47 0.697 10.102 -3.666 384 HA LYS 47 HA LYS 47 0.670 7.982 -5.695 385 1HB LYS 47 HB1 LYS 47 0.740 10.702 -6.309 386 2HB LYS 47 HB2 LYS 47 2.418 10.189 -6.423 387 1HG LYS 47 HG1 LYS 47 1.241 8.200 -7.785 388 2HG LYS 47 HG2 LYS 47 0.108 9.512 -8.112 389 1HD LYS 47 HD1 LYS 47 1.661 9.667 -9.851 390 2HD LYS 47 HD2 LYS 47 2.188 10.897 -8.700 391 1HE LYS 47 HE2 LYS 47 3.891 9.424 -7.838 392 2HE LYS 47 HE1 LYS 47 3.312 8.105 -8.854 393 1HZ LYS 47 HZ1 LYS 47 4.384 10.664 -9.908 394 2HZ LYS 47 HZ2 LYS 47 3.988 9.281 -10.800 395 3HZ LYS 47 HZ3 LYS 47 5.301 9.251 -9.734 396 H VAL 48 HN VAL 48 2.208 6.543 -5.243 397 HA VAL 48 HA VAL 48 4.759 7.524 -4.183 398 HB VAL 48 HB VAL 48 3.796 6.835 -2.173 399 1HG1 VAL 48 HG11 VAL 48 2.712 4.526 -1.989 400 2HG1 VAL 48 HG12 VAL 48 2.592 4.607 -3.748 401 3HG1 VAL 48 HG13 VAL 48 1.801 5.832 -2.754 402 1HG2 VAL 48 HG21 VAL 48 5.361 5.412 -1.423 403 2HG2 VAL 48 HG22 VAL 48 5.982 5.478 -3.073 404 3HG2 VAL 48 HG23 VAL 48 4.917 4.159 -2.585 405 H GLU 49 HN GLU 49 6.518 6.584 -4.973 406 HA GLU 49 HA GLU 49 6.167 4.262 -6.749 407 1HB GLU 49 HB1 GLU 49 8.576 6.047 -6.839 408 2HB GLU 49 HB2 GLU 49 7.897 5.039 -8.108 409 1HG GLU 49 HG1 GLU 49 6.041 6.565 -8.376 410 2HG GLU 49 HG2 GLU 49 6.637 7.555 -7.044 411 H VAL 50 HN VAL 50 6.831 2.426 -5.831 412 HA VAL 50 HA VAL 50 8.812 2.567 -3.681 413 HB VAL 50 HB VAL 50 6.952 0.323 -4.473 414 1HG1 VAL 50 HG11 VAL 50 9.137 0.507 -2.469 415 2HG1 VAL 50 HG12 VAL 50 8.595 -0.868 -3.433 416 3HG1 VAL 50 HG13 VAL 50 7.670 -0.361 -2.019 417 1HG2 VAL 50 HG21 VAL 50 6.856 2.305 -2.205 418 2HG2 VAL 50 HG22 VAL 50 5.808 0.894 -2.348 419 3HG2 VAL 50 HG23 VAL 50 5.729 2.179 -3.555 420 H THR 51 HN THR 51 10.741 1.600 -3.734 421 HA THR 51 HA THR 51 11.390 -0.120 -6.025 422 HB THR 51 HB THR 51 13.402 1.790 -4.857 423 HG1 THR 51 HG1 THR 51 12.368 3.343 -5.788 424 1HG2 THR 51 HG21 THR 51 13.723 1.355 -7.626 425 2HG2 THR 51 HG22 THR 51 13.494 -0.217 -6.858 426 3HG2 THR 51 HG23 THR 51 14.778 0.858 -6.303 427 H THR 52 HN THR 52 11.858 -2.072 -5.267 428 HA THR 52 HA THR 52 12.732 -2.405 -2.524 429 HB THR 52 HB THR 52 12.219 -4.688 -2.774 430 HG1 THR 52 HG1 THR 52 12.875 -5.647 -4.504 431 1HG2 THR 52 HG21 THR 52 10.047 -4.401 -2.991 432 2HG2 THR 52 HG22 THR 52 10.217 -4.239 -4.738 433 3HG2 THR 52 HG23 THR 52 10.338 -2.815 -3.705 434 H GLU 53 HN GLU 53 14.636 -3.420 -1.866 435 HA GLU 53 HA GLU 53 16.973 -2.727 -3.191 436 1HB GLU 53 HB2 GLU 53 18.140 -4.071 -1.588 437 2HB GLU 53 HB1 GLU 53 16.758 -3.356 -0.770 438 1HG GLU 53 HG2 GLU 53 15.529 -5.476 -1.075 439 2HG GLU 53 HG1 GLU 53 16.979 -6.179 -1.789 440 H ASP 54 HN ASP 54 15.133 -5.736 -3.297 441 HA ASP 54 HA ASP 54 16.926 -7.351 -4.663 442 1HB ASP 54 HB1 ASP 54 14.454 -7.747 -3.732 443 2HB ASP 54 HB2 ASP 54 14.054 -7.514 -5.431 444 H GLY 55 HN GLY 55 14.757 -4.860 -5.880 445 1HA GLY 55 HA1 GLY 55 15.773 -3.691 -7.870 446 2HA GLY 55 HA2 GLY 55 15.882 -5.294 -8.576 447 H LYS 56 HN LYS 56 13.063 -5.069 -6.764 448 HA LYS 56 HA LYS 56 11.477 -4.893 -9.185 449 1HB LYS 56 HB1 LYS 56 10.329 -5.196 -6.429 450 2HB LYS 56 HB2 LYS 56 9.714 -5.807 -7.957 451 1HG LYS 56 HG1 LYS 56 12.236 -6.823 -6.679 452 2HG LYS 56 HG2 LYS 56 10.644 -7.532 -6.400 453 1HD LYS 56 HD1 LYS 56 11.337 -7.141 -9.226 454 2HD LYS 56 HD2 LYS 56 12.358 -8.298 -8.370 455 1HE LYS 56 HE2 LYS 56 10.471 -9.434 -9.383 456 2HE LYS 56 HE1 LYS 56 10.353 -9.500 -7.625 457 1HZ LYS 56 HZ1 LYS 56 8.253 -8.942 -8.873 458 2HZ LYS 56 HZ2 LYS 56 8.950 -7.443 -9.228 459 3HZ LYS 56 HZ3 LYS 56 8.669 -7.886 -7.620 460 H LYS 57 HN LYS 57 9.180 -3.754 -8.569 461 HA LYS 57 HA LYS 57 9.537 -1.257 -7.190 462 1HB LYS 57 HB1 LYS 57 9.929 -1.417 -10.053 463 2HB LYS 57 HB2 LYS 57 8.578 -0.360 -9.664 464 1HG LYS 57 HG2 LYS 57 9.944 1.049 -8.338 465 2HG LYS 57 HG1 LYS 57 11.280 -0.103 -8.376 466 1HD LYS 57 HD2 LYS 57 10.367 0.729 -11.026 467 2HD LYS 57 HD1 LYS 57 10.996 2.052 -10.040 468 1HE LYS 57 HE1 LYS 57 12.773 -0.075 -9.668 469 2HE LYS 57 HE2 LYS 57 12.413 -0.055 -11.394 470 1HZ LYS 57 HZ1 LYS 57 13.813 1.630 -11.594 471 2HZ LYS 57 HZ2 LYS 57 14.069 1.684 -9.922 472 3HZ LYS 57 HZ3 LYS 57 12.813 2.580 -10.615 473 H TYR 58 HN TYR 58 7.593 -0.195 -6.744 474 HA TYR 58 HA TYR 58 5.136 -1.396 -7.783 475 1HB TYR 58 HB2 TYR 58 5.223 -0.783 -4.862 476 2HB TYR 58 HB1 TYR 58 4.222 -1.938 -5.735 477 HD1 TYR 58 HD1 TYR 58 5.848 -3.791 -7.003 478 HD2 TYR 58 HD2 TYR 58 6.633 -1.752 -3.350 479 HE1 TYR 58 HE1 TYR 58 7.340 -5.620 -6.313 480 HE2 TYR 58 HE2 TYR 58 8.128 -3.579 -2.650 481 HH TYR 58 HH TYR 58 9.220 -5.986 -4.786 482 H VAL 59 HN VAL 59 4.074 0.235 -8.672 483 HA VAL 59 HA VAL 59 4.120 2.853 -7.322 484 HB VAL 59 HB VAL 59 5.022 3.010 -9.563 485 1HG1 VAL 59 HG21 VAL 59 2.398 1.912 -10.563 486 2HG1 VAL 59 HG22 VAL 59 3.897 0.989 -10.462 487 3HG1 VAL 59 HG23 VAL 59 3.791 2.386 -11.534 488 1HG2 VAL 59 HG11 VAL 59 3.098 4.613 -8.546 489 2HG2 VAL 59 HG12 VAL 59 2.371 4.169 -10.090 490 3HG2 VAL 59 HG13 VAL 59 3.959 4.934 -10.051 491 H ILE 60 HN ILE 60 2.328 3.253 -6.192 492 HA ILE 60 HA ILE 60 -0.234 2.272 -7.275 493 HB ILE 60 HB ILE 60 -1.031 1.976 -4.951 494 1HG1 ILE 60 HG11 ILE 60 1.860 2.162 -4.110 495 2HG1 ILE 60 HG12 ILE 60 0.765 3.536 -3.994 496 1HG2 ILE 60 HG21 ILE 60 -0.540 -0.100 -5.626 497 2HG2 ILE 60 HG22 ILE 60 0.851 0.048 -4.551 498 3HG2 ILE 60 HG23 ILE 60 1.029 0.378 -6.274 499 1HD1 ILE 60 HD11 ILE 60 0.810 2.528 -1.871 500 2HD1 ILE 60 HD12 ILE 60 0.592 0.915 -2.550 501 3HD1 ILE 60 HD13 ILE 60 -0.732 2.079 -2.600 502 H GLU 61 HN GLU 61 -1.801 3.760 -7.484 503 HA GLU 61 HA GLU 61 -1.576 6.232 -5.940 504 1HB GLU 61 HB2 GLU 61 -0.510 6.695 -8.086 505 2HB GLU 61 HB1 GLU 61 -1.947 6.135 -8.935 506 1HG GLU 61 HG1 GLU 61 -3.235 7.942 -7.828 507 2HG GLU 61 HG2 GLU 61 -1.724 8.535 -7.138 508 H LYS 62 HN LYS 62 -3.363 6.905 -5.118 509 HA LYS 62 HA LYS 62 -5.563 6.726 -4.405 510 1HB LYS 62 HB1 LYS 62 -5.475 8.704 -5.746 511 2HB LYS 62 HB2 LYS 62 -5.626 7.774 -7.230 512 1HG LYS 62 HG1 LYS 62 -7.689 8.984 -6.559 513 2HG LYS 62 HG2 LYS 62 -7.900 7.245 -6.761 514 1HD LYS 62 HD1 LYS 62 -7.165 7.745 -4.060 515 2HD LYS 62 HD2 LYS 62 -8.479 8.841 -4.489 516 1HE LYS 62 HE2 LYS 62 -8.909 6.144 -5.479 517 2HE LYS 62 HE1 LYS 62 -8.734 6.199 -3.725 518 1HZ LYS 62 HZ1 LYS 62 -11.049 6.477 -4.549 519 2HZ LYS 62 HZ2 LYS 62 -10.587 7.950 -5.242 520 3HZ LYS 62 HZ3 LYS 62 -10.511 7.744 -3.565 521 H GLY 63 HN GLY 63 -6.573 4.880 -3.984 522 1HA GLY 63 HA2 GLY 63 -8.265 3.335 -4.324 523 2HA GLY 63 HA1 GLY 63 -8.315 3.807 -6.013 524 H ASP 64 HN ASP 64 -5.208 2.975 -4.875 525 HA ASP 64 HA ASP 64 -5.444 0.376 -6.229 526 1HB ASP 64 HB1 ASP 64 -3.743 2.384 -6.843 527 2HB ASP 64 HB2 ASP 64 -2.756 1.493 -5.689 528 H LEU 65 HN LEU 65 -4.499 -1.467 -5.327 529 HA LEU 65 HA LEU 65 -3.542 -1.243 -2.572 530 1HB LEU 65 HB2 LEU 65 -4.980 -2.777 -1.669 531 2HB LEU 65 HB1 LEU 65 -6.030 -1.936 -2.784 532 HG LEU 65 HG LEU 65 -4.780 -4.652 -3.186 533 1HD1 LEU 65 HD21 LEU 65 -7.509 -4.841 -3.452 534 2HD1 LEU 65 HD22 LEU 65 -7.311 -3.690 -2.130 535 3HD1 LEU 65 HD23 LEU 65 -6.572 -5.290 -2.025 536 1HD2 LEU 65 HD11 LEU 65 -4.908 -4.177 -5.365 537 2HD2 LEU 65 HD12 LEU 65 -5.897 -2.746 -5.087 538 3HD2 LEU 65 HD13 LEU 65 -6.652 -4.337 -5.150 539 H VAL 66 HN VAL 66 -2.005 -2.758 -1.976 540 HA VAL 66 HA VAL 66 -1.118 -4.614 -4.078 541 HB VAL 66 HB VAL 66 0.667 -2.779 -2.479 542 1HG1 VAL 66 HG21 VAL 66 1.365 -4.812 -4.596 543 2HG1 VAL 66 HG22 VAL 66 1.716 -4.947 -2.873 544 3HG1 VAL 66 HG23 VAL 66 2.490 -3.687 -3.835 545 1HG2 VAL 66 HG11 VAL 66 -0.439 -1.537 -4.178 546 2HG2 VAL 66 HG12 VAL 66 -0.151 -2.803 -5.372 547 3HG2 VAL 66 HG13 VAL 66 1.200 -1.861 -4.743 548 H THR 67 HN THR 67 0.104 -6.401 -3.414 549 HA THR 67 HA THR 67 -0.280 -7.126 -0.585 550 HB THR 67 HB THR 67 -0.111 -8.811 -3.090 551 HG1 THR 67 HG1 THR 67 -2.103 -8.297 -1.157 552 1HG2 THR 67 HG21 THR 67 1.043 -10.195 -1.642 553 2HG2 THR 67 HG22 THR 67 -0.630 -10.719 -1.449 554 3HG2 THR 67 HG23 THR 67 0.112 -9.673 -0.238 555 H PHE 68 HN PHE 68 1.442 -8.170 0.519 556 HA PHE 68 HA PHE 68 4.020 -8.285 -0.825 557 1HB PHE 68 HB2 PHE 68 3.932 -6.874 1.810 558 2HB PHE 68 HB1 PHE 68 5.164 -6.814 0.563 559 HD1 PHE 68 HD1 PHE 68 1.768 -5.671 1.459 560 HD2 PHE 68 HD2 PHE 68 5.106 -5.183 -1.134 561 HE1 PHE 68 HE1 PHE 68 0.785 -3.588 0.594 562 HE2 PHE 68 HE2 PHE 68 4.129 -3.100 -2.004 563 HZ PHE 68 HZ PHE 68 1.966 -2.293 -1.122 564 HA PRO 69 HA PRO 69 4.335 -11.756 1.898 565 1HB PRO 69 HB1 PRO 69 6.738 -12.642 1.164 566 2HB PRO 69 HB2 PRO 69 5.395 -12.612 0.018 567 1HG PRO 69 HG1 PRO 69 7.733 -10.782 0.249 568 2HG PRO 69 HG2 PRO 69 6.879 -11.338 -1.199 569 1HD PRO 69 HD2 PRO 69 6.512 -8.878 0.122 570 2HD PRO 69 HD1 PRO 69 5.470 -9.563 -1.138 571 H LYS 70 HN LYS 70 4.996 -12.230 3.912 572 HA LYS 70 HA LYS 70 6.148 -10.472 5.647 573 1HB LYS 70 HB1 LYS 70 5.181 -13.016 5.839 574 2HB LYS 70 HB2 LYS 70 6.888 -13.274 6.173 575 1HG LYS 70 HG2 LYS 70 6.667 -11.385 7.872 576 2HG LYS 70 HG1 LYS 70 4.924 -11.590 7.681 577 1HD LYS 70 HD2 LYS 70 4.934 -13.356 9.029 578 2HD LYS 70 HD1 LYS 70 6.168 -14.146 8.045 579 1HE LYS 70 HE2 LYS 70 7.084 -11.964 9.813 580 2HE LYS 70 HE1 LYS 70 6.549 -13.446 10.604 581 1HZ LYS 70 HZ1 LYS 70 8.777 -13.071 8.708 582 2HZ LYS 70 HZ2 LYS 70 8.084 -14.597 8.935 583 3HZ LYS 70 HZ3 LYS 70 8.796 -13.790 10.239 584 H GLY 71 HN GLY 71 8.067 -9.489 5.609 585 1HA GLY 71 HA2 GLY 71 10.455 -9.850 6.068 586 2HA GLY 71 HA1 GLY 71 10.421 -11.099 4.835 587 H LEU 72 HN LEU 72 8.734 -9.423 3.055 588 HA LEU 72 HA LEU 72 10.618 -8.389 1.377 589 1HB LEU 72 HB2 LEU 72 8.469 -8.603 0.506 590 2HB LEU 72 HB1 LEU 72 7.736 -7.717 1.824 591 HG LEU 72 HG LEU 72 8.205 -5.650 0.884 592 1HD1 LEU 72 HD11 LEU 72 9.847 -5.936 -1.325 593 2HD1 LEU 72 HD12 LEU 72 10.585 -6.987 -0.116 594 3HD1 LEU 72 HD13 LEU 72 10.314 -5.281 0.244 595 1HD2 LEU 72 HD21 LEU 72 7.924 -6.137 -1.734 596 2HD2 LEU 72 HD22 LEU 72 6.601 -6.263 -0.577 597 3HD2 LEU 72 HD23 LEU 72 7.461 -7.713 -1.092 598 H ARG 73 HN ARG 73 11.906 -6.662 1.290 599 HA ARG 73 HA ARG 73 11.407 -4.453 3.174 600 1HB ARG 73 HB1 ARG 73 13.389 -5.973 3.715 601 2HB ARG 73 HB2 ARG 73 14.151 -5.318 2.272 602 1HG ARG 73 HG2 ARG 73 13.454 -3.033 3.513 603 2HG ARG 73 HG1 ARG 73 13.712 -4.086 4.905 604 1HD ARG 73 HD1 ARG 73 15.944 -4.562 4.237 605 2HD ARG 73 HD2 ARG 73 15.701 -3.797 2.666 606 HE ARG 73 HE ARG 73 15.233 -1.857 4.591 607 1HH1 ARG 73 HH21 ARG 73 17.878 -3.850 3.515 608 2HH1 ARG 73 HH22 ARG 73 19.095 -2.700 3.958 609 1HH2 ARG 73 HH11 ARG 73 16.828 -0.335 5.177 610 2HH2 ARG 73 HH12 ARG 73 18.498 -0.702 4.902 611 H CYS 74 HN CYS 74 10.877 -2.673 2.098 612 HA CYS 74 HA CYS 74 12.411 -1.907 -0.259 613 1HB CYS 74 HB2 CYS 74 10.103 -1.244 -1.313 614 2HB CYS 74 HB1 CYS 74 10.702 -2.892 -1.471 615 HG CYS 74 HG CYS 74 9.017 -3.056 0.860 616 H ARG 75 HN ARG 75 12.060 0.336 -0.892 617 HA ARG 75 HA ARG 75 11.447 1.993 1.450 618 1HB ARG 75 HB1 ARG 75 13.678 2.323 0.624 619 2HB ARG 75 HB2 ARG 75 13.101 2.503 -1.026 620 1HG ARG 75 HG1 ARG 75 12.226 4.416 1.098 621 2HG ARG 75 HG2 ARG 75 13.793 4.599 0.305 622 1HD ARG 75 HD2 ARG 75 11.995 4.157 -1.771 623 2HD ARG 75 HD1 ARG 75 11.145 5.238 -0.667 624 HE ARG 75 HE ARG 75 12.623 6.909 -1.207 625 1HH1 ARG 75 HH11 ARG 75 13.829 3.865 -2.390 626 2HH1 ARG 75 HH12 ARG 75 15.102 4.583 -3.321 627 1HH2 ARG 75 HH22 ARG 75 14.296 7.865 -2.428 628 2HH2 ARG 75 HH21 ARG 75 15.367 6.857 -3.341 629 H TRP 76 HN TRP 76 9.639 3.167 1.484 630 HA TRP 76 HA TRP 76 8.205 3.591 -1.043 631 1HB TRP 76 HB1 TRP 76 7.279 3.523 1.814 632 2HB TRP 76 HB2 TRP 76 6.295 4.250 0.556 633 HD1 TRP 76 HD1 TRP 76 8.312 0.995 0.110 634 HE1 TRP 76 HE1 TRP 76 6.656 -0.907 -0.407 635 HE3 TRP 76 HE3 TRP 76 3.922 3.542 0.741 636 HZ2 TRP 76 HZ2 TRP 76 3.861 -1.278 -0.530 637 HZ3 TRP 76 HZ3 TRP 76 1.802 2.339 0.404 638 HH2 TRP 76 HH2 TRP 76 1.775 -0.021 -0.218 639 H LYS 77 HN LYS 77 7.358 5.602 -1.561 640 HA LYS 77 HA LYS 77 8.110 7.936 -0.016 641 1HB LYS 77 HB1 LYS 77 9.001 8.828 -2.398 642 2HB LYS 77 HB2 LYS 77 10.059 8.117 -1.185 643 1HG LYS 77 HG2 LYS 77 10.625 6.467 -2.550 644 2HG LYS 77 HG1 LYS 77 8.934 6.065 -2.865 645 1HD LYS 77 HD2 LYS 77 8.828 7.389 -4.740 646 2HD LYS 77 HD1 LYS 77 10.110 8.467 -4.183 647 1HE LYS 77 HE1 LYS 77 11.262 5.910 -4.465 648 2HE LYS 77 HE2 LYS 77 10.285 6.189 -5.907 649 1HZ LYS 77 HZ1 LYS 77 11.517 8.531 -5.697 650 2HZ LYS 77 HZ2 LYS 77 12.141 7.234 -6.585 651 3HZ LYS 77 HZ3 LYS 77 12.701 7.532 -5.017 652 H VAL 78 HN VAL 78 6.550 9.479 -0.194 653 HA VAL 78 HA VAL 78 4.590 9.029 -2.320 654 HB VAL 78 HB VAL 78 2.986 10.292 -0.909 655 1HG1 VAL 78 HG21 VAL 78 2.681 7.990 -0.856 656 2HG1 VAL 78 HG22 VAL 78 2.866 8.392 0.851 657 3HG1 VAL 78 HG23 VAL 78 4.222 7.707 -0.046 658 1HG2 VAL 78 HG11 VAL 78 4.307 9.854 1.590 659 2HG2 VAL 78 HG12 VAL 78 3.608 11.334 0.930 660 3HG2 VAL 78 HG13 VAL 78 5.281 10.908 0.563 661 H LEU 79 HN LEU 79 4.190 10.477 -3.788 662 HA LEU 79 HA LEU 79 5.724 12.943 -3.789 663 1HB LEU 79 HB2 LEU 79 3.966 11.648 -5.877 664 2HB LEU 79 HB1 LEU 79 4.839 13.148 -6.118 665 HG LEU 79 HG LEU 79 6.965 12.002 -5.957 666 1HD1 LEU 79 HD21 LEU 79 5.290 9.625 -5.213 667 2HD1 LEU 79 HD22 LEU 79 6.648 10.336 -4.338 668 3HD1 LEU 79 HD23 LEU 79 6.929 9.463 -5.843 669 1HD2 LEU 79 HD11 LEU 79 4.900 11.099 -7.855 670 2HD2 LEU 79 HD12 LEU 79 6.377 10.136 -7.788 671 3HD2 LEU 79 HD13 LEU 79 6.464 11.860 -8.151 672 H GLU 80 HN GLU 80 2.560 11.845 -3.079 673 HA GLU 80 HA GLU 80 1.644 14.616 -2.781 674 1HB GLU 80 HB2 GLU 80 0.085 12.369 -4.057 675 2HB GLU 80 HB1 GLU 80 -0.575 13.951 -3.663 676 1HG GLU 80 HG2 GLU 80 1.831 14.053 -5.314 677 2HG GLU 80 HG1 GLU 80 0.471 13.226 -6.073 678 HA PRO 81 HA PRO 81 0.304 13.578 1.328 679 1HB PRO 81 HB2 PRO 81 -2.335 14.567 0.301 680 2HB PRO 81 HB1 PRO 81 -1.531 14.917 1.837 681 1HG PRO 81 HG2 PRO 81 -1.446 16.684 -0.145 682 2HG PRO 81 HG1 PRO 81 -0.013 16.386 0.853 683 1HD PRO 81 HD1 PRO 81 -0.574 15.556 -1.946 684 2HD PRO 81 HD2 PRO 81 0.977 15.915 -1.162 685 H VAL 82 HN VAL 82 0.122 11.460 1.706 686 HA VAL 82 HA VAL 82 -1.746 9.917 0.096 687 HB VAL 82 HB VAL 82 0.907 9.526 0.756 688 1HG1 VAL 82 HG21 VAL 82 -0.049 8.600 2.993 689 2HG1 VAL 82 HG22 VAL 82 1.231 7.730 2.146 690 3HG1 VAL 82 HG23 VAL 82 -0.440 7.184 2.016 691 1HG2 VAL 82 HG11 VAL 82 0.386 8.550 -1.190 692 2HG2 VAL 82 HG12 VAL 82 -1.219 8.064 -0.641 693 3HG2 VAL 82 HG13 VAL 82 0.194 7.106 -0.196 694 H ARG 83 HN ARG 83 -3.305 8.636 0.843 695 HA ARG 83 HA ARG 83 -3.716 8.422 3.732 696 1HB ARG 83 HB2 ARG 83 -5.683 9.358 1.673 697 2HB ARG 83 HB1 ARG 83 -6.249 8.508 3.106 698 1HG ARG 83 HG1 ARG 83 -4.376 10.669 3.689 699 2HG ARG 83 HG2 ARG 83 -5.864 11.203 2.907 700 1HD ARG 83 HD2 ARG 83 -6.199 9.252 5.086 701 2HD ARG 83 HD1 ARG 83 -5.597 10.836 5.570 702 HE ARG 83 HE ARG 83 -8.246 10.213 4.875 703 1HH1 ARG 83 HH12 ARG 83 -5.832 12.666 4.344 704 2HH1 ARG 83 HH11 ARG 83 -6.987 13.938 4.120 705 1HH2 ARG 83 HH22 ARG 83 -9.777 11.881 4.580 706 2HH2 ARG 83 HH21 ARG 83 -9.230 13.491 4.254 707 H LYS 84 HN LYS 84 -3.463 6.296 4.125 708 HA LYS 84 HA LYS 84 -4.482 4.422 2.096 709 1HB LYS 84 HB1 LYS 84 -2.029 4.486 2.291 710 2HB LYS 84 HB2 LYS 84 -2.155 4.070 3.993 711 1HG LYS 84 HG1 LYS 84 -2.390 1.898 3.556 712 2HG LYS 84 HG2 LYS 84 -3.546 2.194 2.256 713 1HD LYS 84 HD1 LYS 84 -1.710 1.213 1.186 714 2HD LYS 84 HD2 LYS 84 -1.523 2.939 0.876 715 1HE LYS 84 HE2 LYS 84 -0.231 1.866 3.314 716 2HE LYS 84 HE1 LYS 84 0.471 1.395 1.766 717 1HZ LYS 84 HZ1 LYS 84 0.232 4.082 2.946 718 2HZ LYS 84 HZ2 LYS 84 0.349 3.906 1.268 719 3HZ LYS 84 HZ3 LYS 84 1.588 3.332 2.266 720 H HIS 85 HN HIS 85 -5.409 2.506 2.696 721 HA HIS 85 HA HIS 85 -6.501 2.416 5.419 722 1HB HIS 85 HB1 HIS 85 -7.423 1.039 2.884 723 2HB HIS 85 HB2 HIS 85 -8.190 0.872 4.460 724 HD1 HIS 85 HD1 HIS 85 -10.372 2.036 4.129 725 HD2 HIS 85 HD2 HIS 85 -7.161 4.279 2.744 726 HE1 HIS 85 HE1 HIS 85 -11.337 4.268 3.491 727 HE2 HIS 85 HE2 HIS 85 -9.376 5.611 2.656 728 H TYR 86 HN TYR 86 -6.713 0.165 6.357 729 HA TYR 86 HA TYR 86 -4.315 -1.380 5.625 730 1HB TYR 86 HB2 TYR 86 -5.551 -0.804 8.303 731 2HB TYR 86 HB1 TYR 86 -4.366 -2.081 8.078 732 HD1 TYR 86 HD1 TYR 86 -3.924 0.048 10.002 733 HD2 TYR 86 HD2 TYR 86 -3.012 -0.069 5.850 734 HE1 TYR 86 HE1 TYR 86 -2.121 1.666 10.356 735 HE2 TYR 86 HE2 TYR 86 -1.212 1.541 6.188 736 HH TYR 86 HH TYR 86 0.290 2.249 8.170 737 H ASN 87 HN ASN 87 -4.248 -3.582 6.189 738 HA ASN 87 HA ASN 87 -6.639 -5.046 6.771 739 1HB ASN 87 HB2 ASN 87 -6.628 -4.398 4.209 740 2HB ASN 87 HB1 ASN 87 -5.491 -5.738 4.097 741 1HD2 ASN 87 HD22 ASN 87 -6.219 -7.789 4.221 742 2HD2 ASN 87 HD21 ASN 87 -7.884 -8.219 4.386 743 H LEU 88 HN LEU 88 -4.480 -5.066 8.235 744 HA LEU 88 HA LEU 88 -2.611 -7.110 7.396 745 1HB LEU 88 HB1 LEU 88 -2.520 -6.192 10.191 746 2HB LEU 88 HB2 LEU 88 -1.231 -6.345 9.016 747 HG LEU 88 HG LEU 88 -3.176 -4.046 9.260 748 1HD1 LEU 88 HD21 LEU 88 -0.860 -2.876 9.533 749 2HD1 LEU 88 HD22 LEU 88 -0.325 -4.486 10.016 750 3HD1 LEU 88 HD23 LEU 88 -1.617 -3.683 10.907 751 1HD2 LEU 88 HD11 LEU 88 -2.344 -4.817 6.897 752 2HD2 LEU 88 HD12 LEU 88 -0.848 -4.034 7.403 753 3HD2 LEU 88 HD13 LEU 88 -2.348 -3.111 7.339 754 H PHE 89 HN PHE 89 -2.261 -9.087 8.413 755 HA PHE 89 HA PHE 89 -4.605 -10.108 9.868 756 1HB PHE 89 HB1 PHE 89 -2.490 -11.707 8.411 757 2HB PHE 89 HB2 PHE 89 -4.012 -12.307 9.064 758 HD1 PHE 89 HD1 PHE 89 -5.960 -10.378 8.165 759 HD2 PHE 89 HD2 PHE 89 -2.573 -11.949 6.123 760 HE1 PHE 89 HE1 PHE 89 -7.062 -9.941 6.011 761 HE2 PHE 89 HE2 PHE 89 -3.670 -11.515 3.963 762 HZ PHE 89 HZ PHE 89 -5.917 -10.509 3.906 Start of MODEL 7 1 1H MET 1 HT1 MET 1 3.911 -15.053 -1.363 2 2H MET 1 HT2 MET 1 3.858 -15.042 -3.079 3 3H MET 1 HT3 MET 1 2.829 -14.002 -2.182 4 HA MET 1 HA MET 1 4.581 -12.699 -1.464 5 1HB MET 1 HB2 MET 1 6.183 -14.380 -0.917 6 2HB MET 1 HB1 MET 1 6.262 -14.944 -2.580 7 1HG MET 1 HG1 MET 1 7.318 -12.827 -3.233 8 2HG MET 1 HG2 MET 1 7.277 -12.302 -1.550 9 1HE MET 1 HE1 MET 1 8.864 -13.832 -4.288 10 2HE MET 1 HE2 MET 1 10.207 -14.830 -3.731 11 3HE MET 1 HE3 MET 1 10.312 -13.073 -3.625 12 H GLU 2 HN GLU 2 3.729 -11.205 -2.854 13 HA GLU 2 HA GLU 2 5.138 -10.400 -5.078 14 1HB GLU 2 HB2 GLU 2 3.619 -12.665 -5.713 15 2HB GLU 2 HB1 GLU 2 2.718 -11.313 -6.384 16 1HG GLU 2 HG1 GLU 2 4.643 -10.602 -7.649 17 2HG GLU 2 HG2 GLU 2 5.632 -11.856 -6.902 18 H VAL 3 HN VAL 3 4.714 -8.302 -5.056 19 HA VAL 3 HA VAL 3 2.283 -7.246 -3.977 20 HB VAL 3 HB VAL 3 4.574 -5.838 -5.358 21 1HG1 VAL 3 HG21 VAL 3 3.712 -3.806 -4.655 22 2HG1 VAL 3 HG22 VAL 3 2.666 -4.555 -3.452 23 3HG1 VAL 3 HG23 VAL 3 2.269 -4.680 -5.165 24 1HG2 VAL 3 HG11 VAL 3 4.843 -5.196 -2.767 25 2HG2 VAL 3 HG12 VAL 3 5.658 -6.569 -3.517 26 3HG2 VAL 3 HG13 VAL 3 4.169 -6.817 -2.605 27 H LYS 4 HN LYS 4 0.522 -7.586 -5.228 28 HA LYS 4 HA LYS 4 0.674 -7.160 -8.103 29 1HB LYS 4 HB1 LYS 4 -1.487 -8.170 -8.222 30 2HB LYS 4 HB2 LYS 4 -0.527 -9.128 -7.107 31 1HG LYS 4 HG2 LYS 4 -1.996 -7.040 -5.743 32 2HG LYS 4 HG1 LYS 4 -3.055 -8.109 -6.663 33 1HD LYS 4 HD1 LYS 4 -1.779 -10.031 -5.577 34 2HD LYS 4 HD2 LYS 4 -1.128 -8.817 -4.472 35 1HE LYS 4 HE1 LYS 4 -3.227 -8.345 -3.564 36 2HE LYS 4 HE2 LYS 4 -4.080 -9.076 -4.924 37 1HZ LYS 4 HZ1 LYS 4 -2.465 -11.029 -3.720 38 2HZ LYS 4 HZ2 LYS 4 -4.152 -10.977 -3.821 39 3HZ LYS 4 HZ3 LYS 4 -3.361 -10.268 -2.505 40 H ILE 5 HN ILE 5 -0.482 -5.616 -9.222 41 HA ILE 5 HA ILE 5 -1.481 -3.394 -7.576 42 HB ILE 5 HB ILE 5 -0.574 -3.237 -10.442 43 1HG1 ILE 5 HG11 ILE 5 1.367 -3.887 -9.230 44 2HG1 ILE 5 HG12 ILE 5 1.478 -2.138 -9.400 45 1HG2 ILE 5 HG21 ILE 5 -1.890 -1.422 -8.683 46 2HG2 ILE 5 HG22 ILE 5 -1.388 -1.177 -10.357 47 3HG2 ILE 5 HG23 ILE 5 -0.277 -0.807 -9.039 48 1HD1 ILE 5 HD11 ILE 5 0.491 -1.966 -7.101 49 2HD1 ILE 5 HD12 ILE 5 2.120 -2.627 -7.203 50 3HD1 ILE 5 HD13 ILE 5 0.747 -3.704 -6.957 51 H GLU 6 HN GLU 6 -3.592 -3.180 -7.489 52 HA GLU 6 HA GLU 6 -5.174 -3.446 -9.922 53 1HB GLU 6 HB2 GLU 6 -4.958 -5.650 -8.337 54 2HB GLU 6 HB1 GLU 6 -6.373 -4.874 -7.639 55 1HG GLU 6 HG2 GLU 6 -7.662 -5.487 -9.336 56 2HG GLU 6 HG1 GLU 6 -6.492 -4.922 -10.528 57 H LYS 7 HN LYS 7 -7.245 -2.491 -9.803 58 HA LYS 7 HA LYS 7 -7.554 -0.634 -7.542 59 1HB LYS 7 HB2 LYS 7 -8.440 -0.390 -10.416 60 2HB LYS 7 HB1 LYS 7 -8.934 0.724 -9.149 61 1HG LYS 7 HG1 LYS 7 -7.014 1.843 -9.244 62 2HG LYS 7 HG2 LYS 7 -6.053 0.362 -9.248 63 1HD LYS 7 HD1 LYS 7 -7.345 0.516 -11.754 64 2HD LYS 7 HD2 LYS 7 -6.672 2.113 -11.422 65 1HE LYS 7 HE2 LYS 7 -4.993 -0.307 -10.952 66 2HE LYS 7 HE1 LYS 7 -5.227 0.272 -12.601 67 1HZ LYS 7 HZ1 LYS 7 -3.700 1.811 -12.244 68 2HZ LYS 7 HZ2 LYS 7 -3.466 1.249 -10.666 69 3HZ LYS 7 HZ3 LYS 7 -4.604 2.462 -10.971 70 HA PRO 8 HA PRO 8 -10.916 -3.589 -6.716 71 1HB PRO 8 HB1 PRO 8 -11.721 -2.177 -4.442 72 2HB PRO 8 HB2 PRO 8 -10.602 -3.540 -4.478 73 1HG PRO 8 HG2 PRO 8 -10.030 -0.617 -4.388 74 2HG PRO 8 HG1 PRO 8 -9.167 -1.956 -3.610 75 1HD PRO 8 HD2 PRO 8 -8.183 -0.759 -5.778 76 2HD PRO 8 HD1 PRO 8 -8.025 -2.507 -5.553 77 H THR 9 HN THR 9 -12.936 -3.553 -7.411 78 HA THR 9 HA THR 9 -14.149 -1.016 -8.179 79 HB THR 9 HB THR 9 -15.704 -3.450 -8.656 80 HG1 THR 9 HG1 THR 9 -14.289 -4.463 -9.971 81 1HG2 THR 9 HG21 THR 9 -16.430 -2.082 -10.228 82 2HG2 THR 9 HG22 THR 9 -14.928 -2.416 -11.089 83 3HG2 THR 9 HG23 THR 9 -15.047 -1.005 -10.038 84 HA PRO 10 HA PRO 10 -17.090 -0.551 -4.923 85 1HB PRO 10 HB1 PRO 10 -19.236 -0.926 -6.968 86 2HB PRO 10 HB2 PRO 10 -19.052 0.343 -5.751 87 1HG PRO 10 HG1 PRO 10 -18.461 0.835 -8.292 88 2HG PRO 10 HG2 PRO 10 -17.440 1.477 -6.991 89 1HD PRO 10 HD2 PRO 10 -16.947 -0.815 -8.835 90 2HD PRO 10 HD1 PRO 10 -15.796 0.358 -8.164 91 H GLU 11 HN GLU 11 -17.402 -3.213 -7.159 92 HA GLU 11 HA GLU 11 -19.225 -4.739 -5.576 93 1HB GLU 11 HB1 GLU 11 -17.627 -5.165 -8.033 94 2HB GLU 11 HB2 GLU 11 -18.028 -6.609 -7.115 95 1HG GLU 11 HG2 GLU 11 -20.111 -4.606 -7.908 96 2HG GLU 11 HG1 GLU 11 -19.614 -5.916 -8.977 97 H LYS 12 HN LYS 12 -15.712 -4.821 -6.085 98 HA LYS 12 HA LYS 12 -15.272 -6.932 -4.216 99 1HB LYS 12 HB2 LYS 12 -13.354 -4.882 -5.344 100 2HB LYS 12 HB1 LYS 12 -12.884 -6.308 -4.429 101 1HG LYS 12 HG2 LYS 12 -14.551 -7.146 -6.568 102 2HG LYS 12 HG1 LYS 12 -13.319 -6.059 -7.214 103 1HD LYS 12 HD2 LYS 12 -12.607 -8.293 -5.343 104 2HD LYS 12 HD1 LYS 12 -12.770 -8.564 -7.079 105 1HE LYS 12 HE2 LYS 12 -10.816 -6.800 -5.633 106 2HE LYS 12 HE1 LYS 12 -10.482 -8.143 -6.725 107 1HZ LYS 12 HZ1 LYS 12 -11.409 -5.421 -7.386 108 2HZ LYS 12 HZ2 LYS 12 -11.651 -6.702 -8.463 109 3HZ LYS 12 HZ3 LYS 12 -10.082 -6.268 -8.004 110 H LEU 13 HN LEU 13 -15.373 -3.445 -4.066 111 HA LEU 13 HA LEU 13 -14.160 -2.980 -1.613 112 1HB LEU 13 HB1 LEU 13 -16.504 -1.578 -2.892 113 2HB LEU 13 HB2 LEU 13 -15.639 -0.971 -1.493 114 HG LEU 13 HG LEU 13 -14.340 -1.489 -4.165 115 1HD1 LEU 13 HD11 LEU 13 -16.043 0.677 -3.319 116 2HD1 LEU 13 HD12 LEU 13 -15.326 0.361 -4.899 117 3HD1 LEU 13 HD13 LEU 13 -14.416 1.253 -3.680 118 1HD2 LEU 13 HD21 LEU 13 -13.415 -0.568 -1.525 119 2HD2 LEU 13 HD22 LEU 13 -12.815 0.339 -2.913 120 3HD2 LEU 13 HD23 LEU 13 -12.542 -1.400 -2.812 121 H LYS 14 HN LYS 14 -17.302 -4.293 -2.354 122 HA LYS 14 HA LYS 14 -18.577 -3.928 0.111 123 1HB LYS 14 HB1 LYS 14 -18.961 -5.569 -2.272 124 2HB LYS 14 HB2 LYS 14 -19.488 -6.382 -0.805 125 1HG LYS 14 HG1 LYS 14 -20.681 -4.084 -0.349 126 2HG LYS 14 HG2 LYS 14 -20.551 -3.929 -2.103 127 1HD LYS 14 HD1 LYS 14 -21.452 -6.509 -1.771 128 2HD LYS 14 HD2 LYS 14 -22.297 -5.625 -0.499 129 1HE LYS 14 HE2 LYS 14 -23.111 -4.018 -2.144 130 2HE LYS 14 HE1 LYS 14 -22.248 -4.877 -3.420 131 1HZ LYS 14 HZ1 LYS 14 -24.356 -6.122 -1.746 132 2HZ LYS 14 HZ2 LYS 14 -23.642 -6.761 -3.141 133 3HZ LYS 14 HZ3 LYS 14 -24.657 -5.411 -3.251 134 H GLU 15 HN GLU 15 -16.580 -6.618 -1.067 135 HA GLU 15 HA GLU 15 -16.713 -8.018 1.442 136 1HB GLU 15 HB1 GLU 15 -16.104 -8.717 -1.166 137 2HB GLU 15 HB2 GLU 15 -14.548 -8.809 -0.353 138 1HG GLU 15 HG2 GLU 15 -16.861 -10.081 0.987 139 2HG GLU 15 HG1 GLU 15 -16.228 -10.855 -0.466 140 H LEU 16 HN LEU 16 -14.245 -6.131 -0.267 141 HA LEU 16 HA LEU 16 -12.407 -6.390 1.971 142 1HB LEU 16 HB1 LEU 16 -10.814 -5.209 0.551 143 2HB LEU 16 HB2 LEU 16 -11.500 -6.596 -0.272 144 HG LEU 16 HG LEU 16 -13.159 -4.519 -1.032 145 1HD1 LEU 16 HD21 LEU 16 -10.752 -3.364 -0.111 146 2HD1 LEU 16 HD22 LEU 16 -12.089 -2.581 -0.955 147 3HD1 LEU 16 HD23 LEU 16 -10.747 -3.266 -1.872 148 1HD2 LEU 16 HD11 LEU 16 -12.486 -6.241 -2.522 149 2HD2 LEU 16 HD12 LEU 16 -10.788 -5.787 -2.380 150 3HD2 LEU 16 HD13 LEU 16 -11.921 -4.716 -3.204 151 H SER 17 HN SER 17 -15.012 -4.739 1.898 152 HA SER 17 HA SER 17 -14.981 -2.116 1.816 153 1HB SER 17 HB2 SER 17 -15.915 -3.842 4.100 154 2HB SER 17 HB1 SER 17 -16.185 -2.100 4.096 155 HG SER 17 HG SER 17 -17.416 -4.074 2.641 156 H VAL 18 HN VAL 18 -12.903 -1.226 1.907 157 HA VAL 18 HA VAL 18 -11.171 -1.352 4.110 158 HB VAL 18 HB VAL 18 -10.051 0.585 3.186 159 1HG1 VAL 18 HG21 VAL 18 -10.389 -1.812 1.917 160 2HG1 VAL 18 HG22 VAL 18 -9.222 -0.574 1.455 161 3HG1 VAL 18 HG23 VAL 18 -10.784 -0.660 0.642 162 1HG2 VAL 18 HG11 VAL 18 -11.298 2.229 2.349 163 2HG2 VAL 18 HG12 VAL 18 -12.686 1.161 2.136 164 3HG2 VAL 18 HG13 VAL 18 -11.447 1.257 0.884 165 H GLU 19 HN GLU 19 -14.111 0.358 3.648 166 HA GLU 19 HA GLU 19 -13.886 2.603 5.207 167 1HB GLU 19 HB1 GLU 19 -16.326 2.238 5.728 168 2HB GLU 19 HB2 GLU 19 -15.915 2.180 4.019 169 1HG GLU 19 HG1 GLU 19 -16.834 0.179 3.860 170 2HG GLU 19 HG2 GLU 19 -15.695 -0.450 5.052 171 H LYS 20 HN LYS 20 -13.860 -0.707 6.208 172 HA LYS 20 HA LYS 20 -14.236 0.042 9.011 173 1HB LYS 20 HB1 LYS 20 -13.909 -2.645 9.111 174 2HB LYS 20 HB2 LYS 20 -15.459 -1.849 8.915 175 1HG LYS 20 HG2 LYS 20 -15.185 -2.097 6.447 176 2HG LYS 20 HG1 LYS 20 -13.743 -3.063 6.766 177 1HD LYS 20 HD2 LYS 20 -16.086 -3.911 8.292 178 2HD LYS 20 HD1 LYS 20 -16.294 -4.037 6.544 179 1HE LYS 20 HE1 LYS 20 -14.767 -5.688 6.347 180 2HE LYS 20 HE2 LYS 20 -13.725 -5.015 7.598 181 1HZ LYS 20 HZ1 LYS 20 -15.236 -7.218 7.885 182 2HZ LYS 20 HZ2 LYS 20 -16.237 -6.042 8.574 183 3HZ LYS 20 HZ3 LYS 20 -14.669 -6.271 9.167 184 H TRP 21 HN TRP 21 -11.714 -0.334 6.846 185 HA TRP 21 HA TRP 21 -9.826 -1.385 8.793 186 1HB TRP 21 HB2 TRP 21 -9.184 -0.345 6.033 187 2HB TRP 21 HB1 TRP 21 -8.240 -1.459 7.014 188 HD1 TRP 21 HD1 TRP 21 -11.590 -2.773 7.324 189 HE1 TRP 21 HE1 TRP 21 -12.064 -4.612 5.595 190 HE3 TRP 21 HE3 TRP 21 -7.674 -1.927 4.143 191 HZ2 TRP 21 HZ2 TRP 21 -10.924 -5.589 3.205 192 HZ3 TRP 21 HZ3 TRP 21 -7.435 -3.362 2.158 193 HH2 TRP 21 HH2 TRP 21 -9.030 -5.155 1.700 194 HA PRO 22 HA PRO 22 -8.366 2.490 10.338 195 1HB PRO 22 HB2 PRO 22 -5.630 2.049 10.211 196 2HB PRO 22 HB1 PRO 22 -6.678 1.547 11.539 197 1HG PRO 22 HG2 PRO 22 -5.648 -0.035 9.232 198 2HG PRO 22 HG1 PRO 22 -5.869 -0.528 10.916 199 1HD PRO 22 HD1 PRO 22 -7.592 -1.275 8.999 200 2HD PRO 22 HD2 PRO 22 -8.149 -0.883 10.641 201 H ILE 23 HN ILE 23 -6.793 4.288 9.758 202 HA ILE 23 HA ILE 23 -6.269 4.367 6.870 203 HB ILE 23 HB ILE 23 -7.497 6.639 8.438 204 1HG1 ILE 23 HG12 ILE 23 -9.242 6.028 6.419 205 2HG1 ILE 23 HG11 ILE 23 -8.647 4.431 6.863 206 1HG2 ILE 23 HG21 ILE 23 -7.791 7.493 6.004 207 2HG2 ILE 23 HG22 ILE 23 -6.481 6.370 5.639 208 3HG2 ILE 23 HG23 ILE 23 -6.229 7.670 6.804 209 1HD1 ILE 23 HD11 ILE 23 -9.443 6.176 9.095 210 2HD1 ILE 23 HD12 ILE 23 -9.697 4.447 8.850 211 3HD1 ILE 23 HD13 ILE 23 -10.737 5.616 8.035 212 H TRP 24 HN TRP 24 -4.539 5.665 6.216 213 HA TRP 24 HA TRP 24 -2.833 6.678 8.395 214 1HB TRP 24 HB1 TRP 24 -2.251 4.437 7.018 215 2HB TRP 24 HB2 TRP 24 -1.516 5.627 5.951 216 HD1 TRP 24 HD1 TRP 24 -1.495 5.154 9.818 217 HE1 TRP 24 HE1 TRP 24 0.939 5.387 10.620 218 HE3 TRP 24 HE3 TRP 24 0.770 5.966 5.308 219 HZ2 TRP 24 HZ2 TRP 24 3.483 5.853 9.491 220 HZ3 TRP 24 HZ3 TRP 24 3.208 6.297 5.256 221 HH2 TRP 24 HH2 TRP 24 4.535 6.241 7.306 222 H GLU 25 HN GLU 25 -2.161 8.708 8.164 223 HA GLU 25 HA GLU 25 -2.414 9.969 5.511 224 1HB GLU 25 HB2 GLU 25 -2.348 12.116 7.037 225 2HB GLU 25 HB1 GLU 25 -3.846 11.221 6.820 226 1HG GLU 25 HG1 GLU 25 -3.786 10.338 8.947 227 2HG GLU 25 HG2 GLU 25 -2.044 10.556 9.101 228 H LYS 26 HN LYS 26 -0.597 10.691 4.558 229 HA LYS 26 HA LYS 26 1.724 11.323 6.218 230 1HB LYS 26 HB1 LYS 26 1.952 8.950 5.698 231 2HB LYS 26 HB2 LYS 26 1.771 9.291 3.983 232 1HG LYS 26 HG2 LYS 26 4.045 9.078 4.176 233 2HG LYS 26 HG1 LYS 26 3.842 10.823 4.345 234 1HD LYS 26 HD2 LYS 26 3.653 10.217 6.901 235 2HD LYS 26 HD1 LYS 26 4.551 8.783 6.396 236 1HE LYS 26 HE2 LYS 26 6.438 9.949 6.372 237 2HE LYS 26 HE1 LYS 26 5.749 11.065 5.193 238 1HZ LYS 26 HZ1 LYS 26 6.373 12.359 7.031 239 2HZ LYS 26 HZ2 LYS 26 5.699 11.279 8.145 240 3HZ LYS 26 HZ3 LYS 26 4.692 12.209 7.153 241 H GLU 27 HN GLU 27 2.779 13.038 5.552 242 HA GLU 27 HA GLU 27 2.074 14.452 3.163 243 1HB GLU 27 HB2 GLU 27 4.083 15.882 3.839 244 2HB GLU 27 HB1 GLU 27 2.739 15.820 4.970 245 1HG GLU 27 HG2 GLU 27 4.605 13.725 5.553 246 2HG GLU 27 HG1 GLU 27 5.436 15.278 5.475 247 H VAL 28 HN VAL 28 3.599 15.061 1.514 248 HA VAL 28 HA VAL 28 4.586 12.888 0.134 249 HB VAL 28 HB VAL 28 5.386 14.404 -1.471 250 1HG1 VAL 28 HG21 VAL 28 3.457 15.532 -1.944 251 2HG1 VAL 28 HG22 VAL 28 3.230 16.058 -0.277 252 3HG1 VAL 28 HG23 VAL 28 2.881 14.392 -0.729 253 1HG2 VAL 28 HG11 VAL 28 5.133 16.949 -0.250 254 2HG2 VAL 28 HG12 VAL 28 6.573 16.199 -0.940 255 3HG2 VAL 28 HG13 VAL 28 6.181 15.954 0.761 256 H SER 29 HN SER 29 5.894 12.257 2.381 257 HA SER 29 HA SER 29 8.660 13.193 2.175 258 1HB SER 29 HB1 SER 29 7.547 11.342 4.283 259 2HB SER 29 HB2 SER 29 9.018 12.312 4.353 260 HG SER 29 HG SER 29 7.560 13.458 5.495 261 H GLU 30 HN GLU 30 9.977 11.010 3.195 262 HA GLU 30 HA GLU 30 9.282 8.646 1.710 263 1HB GLU 30 HB1 GLU 30 12.044 9.656 1.163 264 2HB GLU 30 HB2 GLU 30 11.062 8.539 0.227 265 1HG GLU 30 HG2 GLU 30 9.638 10.398 -0.490 266 2HG GLU 30 HG1 GLU 30 10.646 11.514 0.431 267 H PHE 31 HN PHE 31 9.689 6.985 3.000 268 HA PHE 31 HA PHE 31 11.934 7.180 4.893 269 1HB PHE 31 HB2 PHE 31 10.328 5.657 6.344 270 2HB PHE 31 HB1 PHE 31 10.210 7.413 6.394 271 HD1 PHE 31 HD1 PHE 31 8.607 4.322 5.323 272 HD2 PHE 31 HD2 PHE 31 8.358 8.570 5.337 273 HE1 PHE 31 HE1 PHE 31 6.238 4.182 4.672 274 HE2 PHE 31 HE2 PHE 31 5.990 8.439 4.689 275 HZ PHE 31 HZ PHE 31 4.927 6.242 4.355 276 H ASP 32 HN ASP 32 12.998 5.245 5.437 277 HA ASP 32 HA ASP 32 12.881 3.189 3.401 278 1HB ASP 32 HB2 ASP 32 14.720 2.146 4.811 279 2HB ASP 32 HB1 ASP 32 15.080 3.734 4.141 280 H TRP 33 HN TRP 33 12.056 1.126 3.659 281 HA TRP 33 HA TRP 33 10.815 0.543 6.266 282 1HB TRP 33 HB2 TRP 33 9.273 1.405 4.359 283 2HB TRP 33 HB1 TRP 33 9.471 -0.212 3.689 284 HD1 TRP 33 HD1 TRP 33 8.581 1.163 7.223 285 HE1 TRP 33 HE1 TRP 33 6.605 -0.220 8.122 286 HE3 TRP 33 HE3 TRP 33 7.945 -2.014 3.267 287 HZ2 TRP 33 HZ2 TRP 33 4.991 -2.371 7.268 288 HZ3 TRP 33 HZ3 TRP 33 6.161 -3.705 3.388 289 HH2 TRP 33 HH2 TRP 33 4.716 -3.879 5.348 290 H TYR 34 HN TYR 34 10.866 -1.488 6.988 291 HA TYR 34 HA TYR 34 11.819 -3.631 5.226 292 1HB TYR 34 HB2 TYR 34 13.781 -3.000 6.478 293 2HB TYR 34 HB1 TYR 34 12.874 -2.981 7.987 294 HD1 TYR 34 HD1 TYR 34 14.937 -4.925 5.844 295 HD2 TYR 34 HD2 TYR 34 11.847 -5.224 8.752 296 HE1 TYR 34 HE1 TYR 34 15.545 -7.273 6.239 297 HE2 TYR 34 HE2 TYR 34 12.445 -7.575 9.154 298 HH TYR 34 HH TYR 34 14.748 -9.255 7.143 299 H TYR 35 HN TYR 35 10.208 -5.072 5.169 300 HA TYR 35 HA TYR 35 8.399 -5.234 7.439 301 1HB TYR 35 HB1 TYR 35 7.762 -4.957 4.918 302 2HB TYR 35 HB2 TYR 35 7.994 -6.694 4.854 303 HD1 TYR 35 HD1 TYR 35 6.626 -5.203 7.923 304 HD2 TYR 35 HD2 TYR 35 5.692 -6.971 4.167 305 HE1 TYR 35 HE1 TYR 35 4.322 -5.555 8.671 306 HE2 TYR 35 HE2 TYR 35 3.390 -7.323 4.904 307 HH TYR 35 HH TYR 35 2.419 -7.231 8.033 308 H ASP 36 HN ASP 36 7.451 -7.379 7.970 309 HA ASP 36 HA ASP 36 9.181 -9.679 7.594 310 1HB ASP 36 HB2 ASP 36 9.420 -10.103 9.989 311 2HB ASP 36 HB1 ASP 36 10.121 -8.543 9.571 312 H THR 37 HN THR 37 6.456 -8.920 6.823 313 HA THR 37 HA THR 37 5.111 -11.330 7.574 314 HB THR 37 HB THR 37 3.533 -8.931 8.375 315 HG1 THR 37 HG1 THR 37 5.392 -8.532 9.513 316 1HG2 THR 37 HG21 THR 37 3.517 -11.807 8.931 317 2HG2 THR 37 HG22 THR 37 2.189 -10.649 8.847 318 3HG2 THR 37 HG23 THR 37 3.167 -10.766 10.310 319 H ASN 38 HN ASN 38 2.557 -10.874 6.901 320 HA ASN 38 HA ASN 38 2.749 -10.097 4.093 321 1HB ASN 38 HB2 ASN 38 0.409 -11.356 5.541 322 2HB ASN 38 HB1 ASN 38 0.637 -11.233 3.798 323 1HD2 ASN 38 HD21 ASN 38 2.040 -12.621 2.767 324 2HD2 ASN 38 HD22 ASN 38 2.696 -14.023 3.533 325 H GLU 39 HN GLU 39 1.921 -8.234 3.319 326 HA GLU 39 HA GLU 39 -0.009 -6.783 4.996 327 1HB GLU 39 HB1 GLU 39 1.890 -5.560 5.496 328 2HB GLU 39 HB2 GLU 39 2.615 -5.824 3.925 329 1HG GLU 39 HG2 GLU 39 1.094 -4.208 2.933 330 2HG GLU 39 HG1 GLU 39 0.296 -3.985 4.489 331 H THR 40 HN THR 40 -1.536 -5.589 3.983 332 HA THR 40 HA THR 40 -1.510 -5.340 1.078 333 HB THR 40 HB THR 40 -3.741 -6.639 2.656 334 HG1 THR 40 HG1 THR 40 -2.149 -8.057 1.901 335 1HG2 THR 40 HG21 THR 40 -5.046 -6.721 0.623 336 2HG2 THR 40 HG22 THR 40 -3.816 -5.782 -0.224 337 3HG2 THR 40 HG23 THR 40 -4.731 -5.051 1.094 338 H CYS 41 HN CYS 41 -2.145 -3.270 0.517 339 HA CYS 41 HA CYS 41 -3.711 -1.829 2.559 340 1HB CYS 41 HB2 CYS 41 -1.723 -0.159 1.167 341 2HB CYS 41 HB1 CYS 41 -2.243 -0.139 2.850 342 HG CYS 41 HG CYS 41 -0.557 -2.159 3.249 343 H TYR 42 HN TYR 42 -4.787 0.092 1.797 344 HA TYR 42 HA TYR 42 -5.366 0.005 -1.091 345 1HB TYR 42 HB1 TYR 42 -7.272 -0.945 -0.088 346 2HB TYR 42 HB2 TYR 42 -7.207 0.156 1.283 347 HD1 TYR 42 HD1 TYR 42 -8.687 1.939 1.355 348 HD2 TYR 42 HD2 TYR 42 -7.748 0.190 -2.408 349 HE1 TYR 42 HE1 TYR 42 -10.356 3.386 0.272 350 HE2 TYR 42 HE2 TYR 42 -9.411 1.629 -3.501 351 HH TYR 42 HH TYR 42 -11.224 2.987 -3.099 352 H ILE 43 HN ILE 43 -4.983 1.868 -2.106 353 HA ILE 43 HA ILE 43 -4.431 4.266 -0.569 354 HB ILE 43 HB ILE 43 -4.352 3.866 -3.556 355 1HG1 ILE 43 HG11 ILE 43 -2.781 2.446 -2.110 356 2HG1 ILE 43 HG12 ILE 43 -2.045 3.413 -3.384 357 1HG2 ILE 43 HG21 ILE 43 -3.850 6.168 -1.800 358 2HG2 ILE 43 HG22 ILE 43 -4.329 6.113 -3.496 359 3HG2 ILE 43 HG23 ILE 43 -2.638 5.884 -3.051 360 1HD1 ILE 43 HD11 ILE 43 -0.911 3.374 -1.104 361 2HD1 ILE 43 HD12 ILE 43 -2.227 4.420 -0.572 362 3HD1 ILE 43 HD13 ILE 43 -1.156 4.942 -1.873 363 H LEU 44 HN LEU 44 -5.603 6.121 -0.558 364 HA LEU 44 HA LEU 44 -8.219 6.043 -1.913 365 1HB LEU 44 HB2 LEU 44 -8.532 5.995 0.454 366 2HB LEU 44 HB1 LEU 44 -7.379 7.293 0.697 367 HG LEU 44 HG LEU 44 -9.059 8.706 -0.714 368 1HD1 LEU 44 HD21 LEU 44 -10.369 6.342 -0.924 369 2HD1 LEU 44 HD22 LEU 44 -11.128 7.926 -1.087 370 3HD1 LEU 44 HD23 LEU 44 -11.195 7.070 0.454 371 1HD2 LEU 44 HD11 LEU 44 -10.381 9.151 1.393 372 2HD2 LEU 44 HD12 LEU 44 -8.628 9.282 1.534 373 3HD2 LEU 44 HD13 LEU 44 -9.457 7.847 2.140 374 H GLU 45 HN GLU 45 -5.334 7.880 -1.295 375 HA GLU 45 HA GLU 45 -5.569 9.462 -3.583 376 1HB GLU 45 HB2 GLU 45 -6.058 11.655 -2.659 377 2HB GLU 45 HB1 GLU 45 -7.391 10.559 -2.319 378 1HG GLU 45 HG1 GLU 45 -6.262 10.201 -0.048 379 2HG GLU 45 HG2 GLU 45 -5.329 11.645 -0.440 380 H GLY 46 HN GLY 46 -3.453 9.203 -3.958 381 1HA GLY 46 HA1 GLY 46 -1.499 10.797 -2.916 382 2HA GLY 46 HA2 GLY 46 -1.483 9.376 -1.880 383 H LYS 47 HN LYS 47 0.662 10.196 -3.531 384 HA LYS 47 HA LYS 47 0.696 8.017 -5.504 385 1HB LYS 47 HB1 LYS 47 1.057 10.743 -5.961 386 2HB LYS 47 HB2 LYS 47 2.684 10.077 -5.966 387 1HG LYS 47 HG1 LYS 47 1.428 8.266 -7.501 388 2HG LYS 47 HG2 LYS 47 0.481 9.708 -7.873 389 1HD LYS 47 HD2 LYS 47 2.114 10.082 -9.387 390 2HD LYS 47 HD1 LYS 47 3.008 10.691 -7.991 391 1HE LYS 47 HE2 LYS 47 4.120 8.592 -7.700 392 2HE LYS 47 HE1 LYS 47 3.098 7.824 -8.915 393 1HZ LYS 47 HZ1 LYS 47 4.617 10.146 -9.791 394 2HZ LYS 47 HZ2 LYS 47 4.287 8.698 -10.601 395 3HZ LYS 47 HZ3 LYS 47 5.518 8.757 -9.442 396 H VAL 48 HN VAL 48 2.027 6.440 -5.006 397 HA VAL 48 HA VAL 48 4.422 7.088 -3.427 398 HB VAL 48 HB VAL 48 2.392 4.922 -3.021 399 1HG1 VAL 48 HG21 VAL 48 5.242 4.774 -2.022 400 2HG1 VAL 48 HG22 VAL 48 4.499 3.692 -3.201 401 3HG1 VAL 48 HG23 VAL 48 3.924 3.709 -1.533 402 1HG2 VAL 48 HG11 VAL 48 3.700 6.035 -0.697 403 2HG2 VAL 48 HG12 VAL 48 1.988 5.993 -1.121 404 3HG2 VAL 48 HG13 VAL 48 3.017 7.286 -1.736 405 H GLU 49 HN GLU 49 6.284 6.002 -3.862 406 HA GLU 49 HA GLU 49 6.280 4.187 -6.179 407 1HB GLU 49 HB1 GLU 49 8.452 6.169 -5.457 408 2HB GLU 49 HB2 GLU 49 8.451 5.083 -6.841 409 1HG GLU 49 HG1 GLU 49 6.307 6.285 -7.547 410 2HG GLU 49 HG2 GLU 49 6.764 7.511 -6.364 411 H VAL 50 HN VAL 50 6.661 2.218 -5.387 412 HA VAL 50 HA VAL 50 8.367 1.938 -3.028 413 HB VAL 50 HB VAL 50 6.496 -0.041 -4.337 414 1HG1 VAL 50 HG11 VAL 50 8.400 -0.288 -2.060 415 2HG1 VAL 50 HG12 VAL 50 7.974 -1.458 -3.310 416 3HG1 VAL 50 HG13 VAL 50 6.859 -1.143 -1.980 417 1HG2 VAL 50 HG21 VAL 50 6.225 1.499 -1.759 418 2HG2 VAL 50 HG22 VAL 50 5.071 0.332 -2.404 419 3HG2 VAL 50 HG23 VAL 50 5.364 1.847 -3.259 420 H THR 51 HN THR 51 10.246 0.875 -3.004 421 HA THR 51 HA THR 51 11.075 -0.586 -5.415 422 HB THR 51 HB THR 51 12.911 1.156 -3.759 423 HG1 THR 51 HG1 THR 51 11.845 2.650 -4.839 424 1HG2 THR 51 HG21 THR 51 13.550 -0.880 -5.500 425 2HG2 THR 51 HG22 THR 51 14.612 0.423 -4.970 426 3HG2 THR 51 HG23 THR 51 13.709 0.580 -6.477 427 H THR 52 HN THR 52 11.315 -2.652 -4.860 428 HA THR 52 HA THR 52 11.772 -3.380 -2.101 429 HB THR 52 HB THR 52 11.175 -5.564 -2.707 430 HG1 THR 52 HG1 THR 52 11.627 -6.451 -4.589 431 1HG2 THR 52 HG21 THR 52 9.365 -3.831 -3.144 432 2HG2 THR 52 HG22 THR 52 9.163 -5.432 -3.855 433 3HG2 THR 52 HG23 THR 52 9.712 -4.087 -4.854 434 H GLU 53 HN GLU 53 13.309 -5.311 -1.739 435 HA GLU 53 HA GLU 53 15.946 -4.397 -2.336 436 1HB GLU 53 HB1 GLU 53 15.132 -5.577 -0.211 437 2HB GLU 53 HB2 GLU 53 15.242 -7.069 -1.132 438 1HG GLU 53 HG1 GLU 53 17.684 -5.908 -1.579 439 2HG GLU 53 HG2 GLU 53 17.337 -5.464 0.091 440 H ASP 54 HN ASP 54 14.183 -7.391 -3.144 441 HA ASP 54 HA ASP 54 16.060 -8.680 -4.659 442 1HB ASP 54 HB1 ASP 54 13.076 -8.502 -5.117 443 2HB ASP 54 HB2 ASP 54 14.127 -9.644 -5.949 444 H GLY 55 HN GLY 55 14.270 -5.819 -5.484 445 1HA GLY 55 HA2 GLY 55 15.408 -4.377 -7.140 446 2HA GLY 55 HA1 GLY 55 15.597 -5.818 -8.126 447 H LYS 56 HN LYS 56 12.630 -5.389 -6.405 448 HA LYS 56 HA LYS 56 11.243 -5.050 -8.950 449 1HB LYS 56 HB1 LYS 56 10.017 -5.541 -6.233 450 2HB LYS 56 HB2 LYS 56 9.261 -5.759 -7.805 451 1HG LYS 56 HG1 LYS 56 11.635 -7.353 -6.879 452 2HG LYS 56 HG2 LYS 56 9.961 -7.865 -6.653 453 1HD LYS 56 HD1 LYS 56 9.619 -7.771 -9.086 454 2HD LYS 56 HD2 LYS 56 11.306 -7.298 -9.295 455 1HE LYS 56 HE1 LYS 56 11.670 -9.497 -9.543 456 2HE LYS 56 HE2 LYS 56 11.563 -9.542 -7.784 457 1HZ LYS 56 HZ1 LYS 56 9.049 -9.731 -9.235 458 2HZ LYS 56 HZ2 LYS 56 9.558 -10.541 -7.840 459 3HZ LYS 56 HZ3 LYS 56 10.083 -11.064 -9.360 460 H LYS 57 HN LYS 57 9.101 -3.717 -8.666 461 HA LYS 57 HA LYS 57 9.355 -1.387 -7.001 462 1HB LYS 57 HB2 LYS 57 10.550 -1.281 -9.518 463 2HB LYS 57 HB1 LYS 57 9.008 -0.463 -9.731 464 1HG LYS 57 HG2 LYS 57 9.521 1.128 -8.048 465 2HG LYS 57 HG1 LYS 57 10.936 0.211 -7.525 466 1HD LYS 57 HD2 LYS 57 10.661 1.365 -10.292 467 2HD LYS 57 HD1 LYS 57 11.396 2.248 -8.951 468 1HE LYS 57 HE1 LYS 57 12.592 -0.285 -8.945 469 2HE LYS 57 HE2 LYS 57 12.529 0.209 -10.636 470 1HZ LYS 57 HZ1 LYS 57 14.195 1.175 -8.537 471 2HZ LYS 57 HZ2 LYS 57 13.360 2.441 -9.285 472 3HZ LYS 57 HZ3 LYS 57 14.330 1.407 -10.207 473 H TYR 58 HN TYR 58 7.404 -0.357 -6.688 474 HA TYR 58 HA TYR 58 5.150 -1.185 -8.369 475 1HB TYR 58 HB2 TYR 58 4.774 -1.097 -5.399 476 2HB TYR 58 HB1 TYR 58 3.841 -1.961 -6.615 477 HD1 TYR 58 HD1 TYR 58 5.315 -3.787 -7.941 478 HD2 TYR 58 HD2 TYR 58 6.077 -2.370 -4.003 479 HE1 TYR 58 HE1 TYR 58 6.578 -5.841 -7.452 480 HE2 TYR 58 HE2 TYR 58 7.341 -4.418 -3.502 481 HH TYR 58 HH TYR 58 8.587 -6.168 -4.774 482 H VAL 59 HN VAL 59 4.207 0.581 -9.100 483 HA VAL 59 HA VAL 59 4.144 2.976 -7.387 484 HB VAL 59 HB VAL 59 5.260 3.376 -9.517 485 1HG1 VAL 59 HG21 VAL 59 4.594 2.479 -11.437 486 2HG1 VAL 59 HG22 VAL 59 2.995 3.206 -11.281 487 3HG1 VAL 59 HG23 VAL 59 3.326 1.637 -10.546 488 1HG2 VAL 59 HG11 VAL 59 4.404 5.409 -9.236 489 2HG2 VAL 59 HG12 VAL 59 2.886 4.753 -8.623 490 3HG2 VAL 59 HG13 VAL 59 3.124 4.949 -10.360 491 H ILE 60 HN ILE 60 2.265 3.247 -6.382 492 HA ILE 60 HA ILE 60 -0.215 2.615 -7.828 493 HB ILE 60 HB ILE 60 -1.191 1.775 -5.701 494 1HG1 ILE 60 HG11 ILE 60 1.392 1.125 -4.503 495 2HG1 ILE 60 HG12 ILE 60 1.097 2.859 -4.553 496 1HG2 ILE 60 HG21 ILE 60 -0.514 -0.374 -6.099 497 2HG2 ILE 60 HG22 ILE 60 1.186 0.072 -6.255 498 3HG2 ILE 60 HG23 ILE 60 0.060 0.412 -7.569 499 1HD1 ILE 60 HD11 ILE 60 0.082 0.941 -2.741 500 2HD1 ILE 60 HD12 ILE 60 -1.274 1.602 -3.656 501 3HD1 ILE 60 HD13 ILE 60 -0.193 2.682 -2.775 502 H GLU 61 HN GLU 61 -1.553 4.290 -7.899 503 HA GLU 61 HA GLU 61 -1.597 6.169 -5.655 504 1HB GLU 61 HB2 GLU 61 -0.110 7.123 -7.363 505 2HB GLU 61 HB1 GLU 61 -1.392 6.989 -8.557 506 1HG GLU 61 HG2 GLU 61 -2.559 8.412 -6.502 507 2HG GLU 61 HG1 GLU 61 -0.914 9.036 -6.564 508 H LYS 62 HN LYS 62 -3.516 6.944 -5.127 509 HA LYS 62 HA LYS 62 -5.774 7.043 -4.952 510 1HB LYS 62 HB1 LYS 62 -4.985 8.387 -7.192 511 2HB LYS 62 HB2 LYS 62 -6.212 7.311 -7.846 512 1HG LYS 62 HG2 LYS 62 -6.505 9.458 -5.781 513 2HG LYS 62 HG1 LYS 62 -7.381 9.244 -7.296 514 1HD LYS 62 HD1 LYS 62 -8.403 7.179 -6.333 515 2HD LYS 62 HD2 LYS 62 -7.636 7.578 -4.795 516 1HE LYS 62 HE2 LYS 62 -8.861 9.632 -4.648 517 2HE LYS 62 HE1 LYS 62 -9.531 9.398 -6.262 518 1HZ LYS 62 HZ1 LYS 62 -11.138 8.799 -4.581 519 2HZ LYS 62 HZ2 LYS 62 -10.062 7.692 -3.889 520 3HZ LYS 62 HZ3 LYS 62 -10.675 7.417 -5.442 521 H GLY 63 HN GLY 63 -6.969 5.376 -4.439 522 1HA GLY 63 HA1 GLY 63 -8.192 3.440 -4.578 523 2HA GLY 63 HA2 GLY 63 -8.492 3.926 -6.237 524 H ASP 64 HN ASP 64 -5.614 2.761 -4.506 525 HA ASP 64 HA ASP 64 -5.535 0.458 -6.321 526 1HB ASP 64 HB2 ASP 64 -3.257 2.356 -5.742 527 2HB ASP 64 HB1 ASP 64 -3.022 0.758 -6.437 528 H LEU 65 HN LEU 65 -4.851 -1.429 -5.395 529 HA LEU 65 HA LEU 65 -3.762 -1.286 -2.689 530 1HB LEU 65 HB2 LEU 65 -5.336 -2.603 -1.704 531 2HB LEU 65 HB1 LEU 65 -6.332 -1.808 -2.893 532 HG LEU 65 HG LEU 65 -5.220 -4.603 -3.065 533 1HD1 LEU 65 HD21 LEU 65 -7.835 -4.933 -3.247 534 2HD1 LEU 65 HD22 LEU 65 -7.841 -3.423 -2.334 535 3HD1 LEU 65 HD23 LEU 65 -7.017 -4.843 -1.687 536 1HD2 LEU 65 HD11 LEU 65 -7.124 -4.284 -5.040 537 2HD2 LEU 65 HD12 LEU 65 -5.380 -4.392 -5.268 538 3HD2 LEU 65 HD13 LEU 65 -6.155 -2.816 -5.130 539 H VAL 66 HN VAL 66 -2.275 -2.847 -2.160 540 HA VAL 66 HA VAL 66 -1.764 -4.923 -4.147 541 HB VAL 66 HB VAL 66 0.480 -4.405 -4.469 542 1HG1 VAL 66 HG11 VAL 66 0.428 -1.957 -5.160 543 2HG1 VAL 66 HG12 VAL 66 -1.215 -1.937 -4.521 544 3HG1 VAL 66 HG13 VAL 66 -0.800 -3.012 -5.851 545 1HG2 VAL 66 HG21 VAL 66 0.255 -2.442 -2.221 546 2HG2 VAL 66 HG22 VAL 66 1.621 -2.506 -3.336 547 3HG2 VAL 66 HG23 VAL 66 1.260 -3.891 -2.303 548 H THR 67 HN THR 67 -0.525 -6.690 -3.447 549 HA THR 67 HA THR 67 -0.726 -7.201 -0.597 550 HB THR 67 HB THR 67 0.065 -8.918 -2.953 551 HG1 THR 67 HG1 THR 67 -2.121 -9.142 -1.167 552 1HG2 THR 67 HG21 THR 67 -0.089 -10.836 -1.362 553 2HG2 THR 67 HG22 THR 67 -0.011 -9.665 -0.046 554 3HG2 THR 67 HG23 THR 67 1.338 -9.817 -1.171 555 H PHE 68 HN PHE 68 1.137 -8.193 0.538 556 HA PHE 68 HA PHE 68 3.754 -7.385 -0.464 557 1HB PHE 68 HB1 PHE 68 2.513 -6.415 2.105 558 2HB PHE 68 HB2 PHE 68 4.250 -6.380 1.824 559 HD1 PHE 68 HD1 PHE 68 1.044 -4.868 1.023 560 HD2 PHE 68 HD2 PHE 68 5.205 -4.886 0.137 561 HE1 PHE 68 HE1 PHE 68 0.807 -2.700 -0.114 562 HE2 PHE 68 HE2 PHE 68 4.976 -2.719 -1.002 563 HZ PHE 68 HZ PHE 68 2.780 -1.609 -1.106 564 HA PRO 69 HA PRO 69 4.622 -11.266 1.530 565 1HB PRO 69 HB1 PRO 69 7.132 -11.581 0.709 566 2HB PRO 69 HB2 PRO 69 5.800 -11.577 -0.451 567 1HG PRO 69 HG1 PRO 69 7.731 -9.395 0.224 568 2HG PRO 69 HG2 PRO 69 7.112 -9.891 -1.361 569 1HD PRO 69 HD2 PRO 69 6.143 -7.764 0.136 570 2HD PRO 69 HD1 PRO 69 5.254 -8.588 -1.158 571 H LYS 70 HN LYS 70 5.810 -12.175 3.225 572 HA LYS 70 HA LYS 70 6.647 -10.418 5.289 573 1HB LYS 70 HB1 LYS 70 5.767 -12.529 5.950 574 2HB LYS 70 HB2 LYS 70 6.862 -13.404 4.890 575 1HG LYS 70 HG1 LYS 70 8.593 -13.301 6.356 576 2HG LYS 70 HG2 LYS 70 8.071 -11.760 7.039 577 1HD LYS 70 HD1 LYS 70 7.754 -13.415 8.719 578 2HD LYS 70 HD2 LYS 70 6.156 -12.993 8.099 579 1HE LYS 70 HE2 LYS 70 6.236 -14.977 6.633 580 2HE LYS 70 HE1 LYS 70 7.790 -15.412 7.344 581 1HZ LYS 70 HZ1 LYS 70 5.913 -16.614 8.335 582 2HZ LYS 70 HZ2 LYS 70 5.254 -15.148 8.864 583 3HZ LYS 70 HZ3 LYS 70 6.741 -15.676 9.474 584 H GLY 71 HN GLY 71 8.590 -9.622 5.780 585 1HA GLY 71 HA2 GLY 71 10.959 -9.544 5.812 586 2HA GLY 71 HA1 GLY 71 10.988 -10.734 4.517 587 H LEU 72 HN LEU 72 8.692 -8.843 3.407 588 HA LEU 72 HA LEU 72 9.949 -7.709 1.307 589 1HB LEU 72 HB2 LEU 72 7.575 -7.692 1.442 590 2HB LEU 72 HB1 LEU 72 7.592 -6.742 2.914 591 HG LEU 72 HG LEU 72 6.889 -5.571 0.773 592 1HD1 LEU 72 HD11 LEU 72 7.870 -4.590 3.017 593 2HD1 LEU 72 HD12 LEU 72 7.501 -3.565 1.631 594 3HD1 LEU 72 HD13 LEU 72 9.162 -4.075 1.934 595 1HD2 LEU 72 HD21 LEU 72 8.623 -4.756 -0.687 596 2HD2 LEU 72 HD22 LEU 72 8.678 -6.518 -0.636 597 3HD2 LEU 72 HD23 LEU 72 9.856 -5.572 0.272 598 H ARG 73 HN ARG 73 11.660 -6.400 1.199 599 HA ARG 73 HA ARG 73 11.824 -4.199 3.152 600 1HB ARG 73 HB1 ARG 73 13.669 -5.873 3.326 601 2HB ARG 73 HB2 ARG 73 14.126 -5.486 1.672 602 1HG ARG 73 HG1 ARG 73 14.105 -3.018 2.793 603 2HG ARG 73 HG2 ARG 73 14.610 -4.014 4.159 604 1HD ARG 73 HD1 ARG 73 16.403 -4.973 2.806 605 2HD ARG 73 HD2 ARG 73 15.898 -3.988 1.434 606 HE ARG 73 HE ARG 73 16.351 -2.137 3.323 607 1HH1 ARG 73 HH21 ARG 73 18.244 -4.833 2.194 608 2HH1 ARG 73 HH22 ARG 73 19.764 -4.074 2.534 609 1HH2 ARG 73 HH12 ARG 73 18.343 -1.129 3.775 610 2HH2 ARG 73 HH11 ARG 73 19.819 -1.968 3.434 611 H CYS 74 HN CYS 74 11.205 -2.376 2.234 612 HA CYS 74 HA CYS 74 12.394 -1.569 -0.294 613 1HB CYS 74 HB2 CYS 74 10.277 -1.037 -1.357 614 2HB CYS 74 HB1 CYS 74 10.301 -2.744 -0.924 615 HG CYS 74 HG CYS 74 8.772 -0.738 0.884 616 H ARG 75 HN ARG 75 12.047 0.704 -0.784 617 HA ARG 75 HA ARG 75 11.805 2.283 1.673 618 1HB ARG 75 HB1 ARG 75 13.805 2.398 0.009 619 2HB ARG 75 HB2 ARG 75 12.717 3.363 -0.979 620 1HG ARG 75 HG1 ARG 75 12.633 4.370 1.674 621 2HG ARG 75 HG2 ARG 75 14.322 4.182 1.201 622 1HD ARG 75 HD1 ARG 75 12.997 5.281 -1.020 623 2HD ARG 75 HD2 ARG 75 12.419 6.167 0.390 624 HE ARG 75 HE ARG 75 14.957 6.409 -0.811 625 1HH1 ARG 75 HH12 ARG 75 13.436 6.280 2.318 626 2HH1 ARG 75 HH11 ARG 75 14.659 7.228 3.096 627 1HH2 ARG 75 HH21 ARG 75 16.574 7.658 0.203 628 2HH2 ARG 75 HH22 ARG 75 16.443 8.012 1.893 629 H TRP 76 HN TRP 76 9.998 3.395 2.053 630 HA TRP 76 HA TRP 76 8.047 3.683 -0.090 631 1HB TRP 76 HB1 TRP 76 7.912 3.983 2.899 632 2HB TRP 76 HB2 TRP 76 6.611 4.562 1.866 633 HD1 TRP 76 HD1 TRP 76 8.568 1.210 2.175 634 HE1 TRP 76 HE1 TRP 76 6.860 -0.708 2.011 635 HE3 TRP 76 HE3 TRP 76 4.311 3.968 1.543 636 HZ2 TRP 76 HZ2 TRP 76 4.076 -1.011 1.659 637 HZ3 TRP 76 HZ3 TRP 76 2.166 2.788 1.300 638 HH2 TRP 76 HH2 TRP 76 2.052 0.349 1.358 639 H LYS 77 HN LYS 77 7.497 5.536 -1.035 640 HA LYS 77 HA LYS 77 8.275 8.080 0.172 641 1HB LYS 77 HB1 LYS 77 8.779 8.120 -2.692 642 2HB LYS 77 HB2 LYS 77 9.795 8.677 -1.374 643 1HG LYS 77 HG2 LYS 77 10.862 6.617 -1.159 644 2HG LYS 77 HG1 LYS 77 9.595 5.767 -2.047 645 1HD LYS 77 HD2 LYS 77 10.309 7.295 -4.021 646 2HD LYS 77 HD1 LYS 77 11.789 7.520 -3.087 647 1HE LYS 77 HE1 LYS 77 11.754 4.912 -2.956 648 2HE LYS 77 HE2 LYS 77 10.710 5.051 -4.371 649 1HZ LYS 77 HZ1 LYS 77 13.482 5.161 -4.295 650 2HZ LYS 77 HZ2 LYS 77 12.960 6.722 -4.686 651 3HZ LYS 77 HZ3 LYS 77 12.477 5.406 -5.633 652 H VAL 78 HN VAL 78 6.744 9.643 -0.119 653 HA VAL 78 HA VAL 78 4.598 8.975 -2.009 654 HB VAL 78 HB VAL 78 3.101 10.386 -0.595 655 1HG1 VAL 78 HG21 VAL 78 4.196 7.747 0.044 656 2HG1 VAL 78 HG22 VAL 78 2.519 8.267 -0.138 657 3HG1 VAL 78 HG23 VAL 78 3.367 8.533 1.387 658 1HG2 VAL 78 HG11 VAL 78 3.802 11.461 1.190 659 2HG2 VAL 78 HG12 VAL 78 5.447 11.114 0.656 660 3HG2 VAL 78 HG13 VAL 78 4.653 10.046 1.816 661 H LEU 79 HN LEU 79 4.355 10.254 -3.671 662 HA LEU 79 HA LEU 79 5.787 12.777 -3.797 663 1HB LEU 79 HB2 LEU 79 4.015 11.978 -6.020 664 2HB LEU 79 HB1 LEU 79 5.659 12.585 -6.061 665 HG LEU 79 HG LEU 79 4.734 9.753 -5.616 666 1HD1 LEU 79 HD11 LEU 79 6.680 10.902 -7.605 667 2HD1 LEU 79 HD12 LEU 79 4.966 10.636 -7.934 668 3HD1 LEU 79 HD13 LEU 79 6.016 9.268 -7.568 669 1HD2 LEU 79 HD21 LEU 79 7.460 9.633 -5.631 670 2HD2 LEU 79 HD22 LEU 79 6.441 9.528 -4.195 671 3HD2 LEU 79 HD23 LEU 79 7.155 11.072 -4.659 672 H GLU 80 HN GLU 80 2.992 12.011 -2.413 673 HA GLU 80 HA GLU 80 1.881 14.625 -2.583 674 1HB GLU 80 HB2 GLU 80 0.768 12.397 -4.217 675 2HB GLU 80 HB1 GLU 80 -0.358 13.531 -3.481 676 1HG GLU 80 HG1 GLU 80 1.541 15.161 -4.644 677 2HG GLU 80 HG2 GLU 80 1.351 13.845 -5.800 678 HA PRO 81 HA PRO 81 0.235 13.643 1.427 679 1HB PRO 81 HB2 PRO 81 -2.331 14.575 0.179 680 2HB PRO 81 HB1 PRO 81 -1.658 14.955 1.771 681 1HG PRO 81 HG2 PRO 81 -1.428 16.702 -0.212 682 2HG PRO 81 HG1 PRO 81 -0.070 16.420 0.889 683 1HD PRO 81 HD2 PRO 81 -0.435 15.546 -1.933 684 2HD PRO 81 HD1 PRO 81 1.056 15.943 -1.055 685 H VAL 82 HN VAL 82 0.049 11.535 1.850 686 HA VAL 82 HA VAL 82 -1.635 9.918 0.117 687 HB VAL 82 HB VAL 82 0.955 9.606 1.015 688 1HG1 VAL 82 HG21 VAL 82 -0.015 8.765 3.203 689 2HG1 VAL 82 HG22 VAL 82 1.158 7.725 2.395 690 3HG1 VAL 82 HG23 VAL 82 -0.563 7.356 2.295 691 1HG2 VAL 82 HG11 VAL 82 -1.005 7.833 -0.365 692 2HG2 VAL 82 HG12 VAL 82 0.622 7.251 -0.009 693 3HG2 VAL 82 HG13 VAL 82 0.399 8.685 -1.012 694 H ARG 83 HN ARG 83 -3.349 8.820 0.722 695 HA ARG 83 HA ARG 83 -3.940 8.456 3.567 696 1HB ARG 83 HB2 ARG 83 -5.423 10.102 1.705 697 2HB ARG 83 HB1 ARG 83 -6.424 8.788 2.308 698 1HG ARG 83 HG1 ARG 83 -6.784 10.590 3.768 699 2HG ARG 83 HG2 ARG 83 -5.712 9.485 4.632 700 1HD ARG 83 HD1 ARG 83 -4.281 11.155 4.922 701 2HD ARG 83 HD2 ARG 83 -4.052 11.225 3.175 702 HE ARG 83 HE ARG 83 -6.385 12.640 4.009 703 1HH1 ARG 83 HH11 ARG 83 -2.918 12.845 3.756 704 2HH1 ARG 83 HH12 ARG 83 -2.896 14.574 3.659 705 1HH2 ARG 83 HH21 ARG 83 -6.367 14.920 3.882 706 2HH2 ARG 83 HH22 ARG 83 -4.856 15.754 3.730 707 H LYS 84 HN LYS 84 -3.859 6.278 3.775 708 HA LYS 84 HA LYS 84 -5.324 4.691 1.782 709 1HB LYS 84 HB2 LYS 84 -3.544 3.249 1.379 710 2HB LYS 84 HB1 LYS 84 -2.761 4.816 1.460 711 1HG LYS 84 HG1 LYS 84 -2.442 4.158 3.986 712 2HG LYS 84 HG2 LYS 84 -2.631 2.524 3.344 713 1HD LYS 84 HD1 LYS 84 -0.516 2.546 2.661 714 2HD LYS 84 HD2 LYS 84 -0.863 3.936 1.630 715 1HE LYS 84 HE1 LYS 84 -0.391 5.450 3.466 716 2HE LYS 84 HE2 LYS 84 -0.124 4.085 4.550 717 1HZ LYS 84 HZ1 LYS 84 1.916 5.175 3.573 718 2HZ LYS 84 HZ2 LYS 84 1.480 4.478 2.094 719 3HZ LYS 84 HZ3 LYS 84 1.827 3.492 3.424 720 H HIS 85 HN HIS 85 -5.926 2.576 2.419 721 HA HIS 85 HA HIS 85 -6.386 2.327 5.305 722 1HB HIS 85 HB1 HIS 85 -7.739 1.013 2.941 723 2HB HIS 85 HB2 HIS 85 -8.088 0.611 4.619 724 HD1 HIS 85 HD1 HIS 85 -10.320 1.587 5.079 725 HD2 HIS 85 HD2 HIS 85 -7.868 4.212 2.991 726 HE1 HIS 85 HE1 HIS 85 -11.621 3.734 4.916 727 HE2 HIS 85 HE2 HIS 85 -10.118 5.310 3.648 728 H TYR 86 HN TYR 86 -6.254 0.052 6.178 729 HA TYR 86 HA TYR 86 -3.950 -1.302 4.934 730 1HB TYR 86 HB2 TYR 86 -4.670 -0.870 7.819 731 2HB TYR 86 HB1 TYR 86 -3.458 -2.043 7.323 732 HD1 TYR 86 HD1 TYR 86 -4.004 1.272 8.341 733 HD2 TYR 86 HD2 TYR 86 -1.585 -1.081 5.756 734 HE1 TYR 86 HE1 TYR 86 -2.313 3.050 8.317 735 HE2 TYR 86 HE2 TYR 86 0.115 0.684 5.721 736 HH TYR 86 HH TYR 86 -0.455 3.816 7.200 737 H ASN 87 HN ASN 87 -3.692 -3.567 5.398 738 HA ASN 87 HA ASN 87 -5.895 -5.120 6.369 739 1HB ASN 87 HB2 ASN 87 -6.163 -4.376 3.750 740 2HB ASN 87 HB1 ASN 87 -5.309 -5.908 3.589 741 1HD2 ASN 87 HD22 ASN 87 -7.004 -7.019 2.722 742 2HD2 ASN 87 HD21 ASN 87 -8.432 -7.418 3.610 743 H LEU 88 HN LEU 88 -3.669 -5.302 7.542 744 HA LEU 88 HA LEU 88 -1.810 -7.128 6.276 745 1HB LEU 88 HB1 LEU 88 -1.716 -6.334 9.165 746 2HB LEU 88 HB2 LEU 88 -0.392 -6.748 8.096 747 HG LEU 88 HG LEU 88 -1.986 -4.280 7.539 748 1HD1 LEU 88 HD11 LEU 88 -0.844 -4.696 10.026 749 2HD1 LEU 88 HD12 LEU 88 -1.269 -3.142 9.310 750 3HD1 LEU 88 HD13 LEU 88 0.369 -3.770 9.142 751 1HD2 LEU 88 HD21 LEU 88 -0.279 -5.122 5.957 752 2HD2 LEU 88 HD22 LEU 88 0.939 -4.923 7.215 753 3HD2 LEU 88 HD23 LEU 88 0.082 -3.515 6.586 754 H PHE 89 HN PHE 89 -1.668 -9.264 6.597 755 HA PHE 89 HA PHE 89 -3.589 -10.479 8.466 756 1HB PHE 89 HB2 PHE 89 -2.270 -11.947 6.196 757 2HB PHE 89 HB1 PHE 89 -3.778 -12.322 7.023 758 HD1 PHE 89 HD1 PHE 89 -5.614 -10.412 6.814 759 HD2 PHE 89 HD2 PHE 89 -2.399 -11.034 4.096 760 HE1 PHE 89 HE1 PHE 89 -6.873 -9.232 5.059 761 HE2 PHE 89 HE2 PHE 89 -3.652 -9.855 2.337 762 HZ PHE 89 HZ PHE 89 -5.891 -8.956 2.815 Start of MODEL 8 1 1H MET 1 HT1 MET 1 9.393 -11.655 -6.131 2 2H MET 1 HT2 MET 1 8.240 -10.810 -7.080 3 3H MET 1 HT3 MET 1 8.250 -12.526 -7.067 4 HA MET 1 HA MET 1 7.644 -12.556 -4.786 5 1HB MET 1 HB1 MET 1 7.918 -9.578 -5.136 6 2HB MET 1 HB2 MET 1 6.941 -10.259 -3.843 7 1HG MET 1 HG1 MET 1 8.760 -10.427 -2.605 8 2HG MET 1 HG2 MET 1 9.406 -11.596 -3.755 9 1HE MET 1 HE1 MET 1 9.054 -8.038 -2.639 10 2HE MET 1 HE2 MET 1 10.530 -7.238 -3.180 11 3HE MET 1 HE3 MET 1 10.605 -8.474 -1.924 12 H GLU 2 HN GLU 2 5.383 -11.598 -3.950 13 HA GLU 2 HA GLU 2 3.575 -11.843 -6.251 14 1HB GLU 2 HB1 GLU 2 3.641 -13.282 -3.931 15 2HB GLU 2 HB2 GLU 2 2.437 -12.061 -3.545 16 1HG GLU 2 HG1 GLU 2 1.485 -12.755 -5.904 17 2HG GLU 2 HG2 GLU 2 2.352 -14.249 -5.547 18 H VAL 3 HN VAL 3 4.601 -9.351 -6.027 19 HA VAL 3 HA VAL 3 2.690 -7.723 -4.531 20 HB VAL 3 HB VAL 3 4.834 -6.520 -6.231 21 1HG1 VAL 3 HG21 VAL 3 3.502 -4.899 -5.234 22 2HG1 VAL 3 HG22 VAL 3 4.881 -5.012 -4.141 23 3HG1 VAL 3 HG23 VAL 3 3.361 -5.803 -3.726 24 1HG2 VAL 3 HG11 VAL 3 6.059 -6.734 -3.798 25 2HG2 VAL 3 HG12 VAL 3 6.402 -7.749 -5.200 26 3HG2 VAL 3 HG13 VAL 3 5.281 -8.310 -3.959 27 H LYS 4 HN LYS 4 0.828 -7.251 -5.506 28 HA LYS 4 HA LYS 4 0.853 -6.836 -8.421 29 1HB LYS 4 HB1 LYS 4 -1.350 -7.683 -8.544 30 2HB LYS 4 HB2 LYS 4 -0.482 -8.783 -7.485 31 1HG LYS 4 HG2 LYS 4 -1.714 -6.689 -5.946 32 2HG LYS 4 HG1 LYS 4 -2.901 -7.483 -6.980 33 1HD LYS 4 HD1 LYS 4 -2.008 -9.678 -6.111 34 2HD LYS 4 HD2 LYS 4 -1.103 -8.738 -4.923 35 1HE LYS 4 HE2 LYS 4 -3.078 -7.920 -3.918 36 2HE LYS 4 HE1 LYS 4 -4.076 -8.467 -5.263 37 1HZ LYS 4 HZ1 LYS 4 -2.566 -10.514 -3.845 38 2HZ LYS 4 HZ2 LYS 4 -4.128 -10.573 -4.492 39 3HZ LYS 4 HZ3 LYS 4 -3.857 -9.814 -3.005 40 H ILE 5 HN ILE 5 -0.552 -5.241 -9.307 41 HA ILE 5 HA ILE 5 -1.266 -3.086 -7.424 42 HB ILE 5 HB ILE 5 -0.475 -2.614 -10.288 43 1HG1 ILE 5 HG11 ILE 5 1.472 -3.582 -9.258 44 2HG1 ILE 5 HG12 ILE 5 1.717 -1.843 -9.360 45 1HG2 ILE 5 HG21 ILE 5 -1.447 -0.990 -8.110 46 2HG2 ILE 5 HG22 ILE 5 -1.252 -0.587 -9.816 47 3HG2 ILE 5 HG23 ILE 5 0.105 -0.402 -8.705 48 1HD1 ILE 5 HD11 ILE 5 2.438 -2.213 -7.244 49 2HD1 ILE 5 HD12 ILE 5 1.334 -3.562 -6.982 50 3HD1 ILE 5 HD13 ILE 5 0.733 -1.906 -6.922 51 H GLU 6 HN GLU 6 -3.399 -2.798 -7.336 52 HA GLU 6 HA GLU 6 -4.968 -2.854 -9.783 53 1HB GLU 6 HB1 GLU 6 -5.318 -4.841 -7.552 54 2HB GLU 6 HB2 GLU 6 -6.656 -4.408 -8.606 55 1HG GLU 6 HG1 GLU 6 -4.024 -5.546 -9.524 56 2HG GLU 6 HG2 GLU 6 -5.513 -6.464 -9.308 57 H LYS 7 HN LYS 7 -7.043 -1.926 -9.589 58 HA LYS 7 HA LYS 7 -7.380 -0.277 -7.175 59 1HB LYS 7 HB1 LYS 7 -8.205 0.233 -10.032 60 2HB LYS 7 HB2 LYS 7 -8.761 1.209 -8.678 61 1HG LYS 7 HG1 LYS 7 -6.977 2.484 -8.998 62 2HG LYS 7 HG2 LYS 7 -6.003 1.143 -8.390 63 1HD LYS 7 HD2 LYS 7 -5.446 0.411 -10.521 64 2HD LYS 7 HD1 LYS 7 -6.818 1.233 -11.268 65 1HE LYS 7 HE2 LYS 7 -4.514 2.686 -9.988 66 2HE LYS 7 HE1 LYS 7 -4.561 2.264 -11.700 67 1HZ LYS 7 HZ1 LYS 7 -5.359 4.571 -11.010 68 2HZ LYS 7 HZ2 LYS 7 -6.753 3.795 -10.448 69 3HZ LYS 7 HZ3 LYS 7 -6.330 3.695 -12.083 70 HA PRO 8 HA PRO 8 -10.714 -3.348 -6.702 71 1HB PRO 8 HB1 PRO 8 -11.570 -2.096 -4.327 72 2HB PRO 8 HB2 PRO 8 -10.524 -3.510 -4.460 73 1HG PRO 8 HG2 PRO 8 -9.814 -0.659 -4.023 74 2HG PRO 8 HG1 PRO 8 -8.995 -2.122 -3.447 75 1HD PRO 8 HD2 PRO 8 -7.997 -0.648 -5.442 76 2HD PRO 8 HD1 PRO 8 -7.853 -2.415 -5.434 77 H THR 9 HN THR 9 -12.586 -3.191 -7.695 78 HA THR 9 HA THR 9 -13.857 -0.591 -8.046 79 HB THR 9 HB THR 9 -13.834 -1.705 -10.089 80 HG1 THR 9 HG1 THR 9 -15.967 -2.244 -10.506 81 1HG2 THR 9 HG21 THR 9 -14.900 -4.157 -10.074 82 2HG2 THR 9 HG22 THR 9 -14.107 -4.163 -8.499 83 3HG2 THR 9 HG23 THR 9 -13.168 -3.844 -9.958 84 HA PRO 10 HA PRO 10 -17.128 -0.693 -5.115 85 1HB PRO 10 HB1 PRO 10 -19.261 -0.967 -7.020 86 2HB PRO 10 HB2 PRO 10 -18.752 0.483 -6.154 87 1HG PRO 10 HG2 PRO 10 -18.084 -0.410 -8.891 88 2HG PRO 10 HG1 PRO 10 -18.106 1.227 -8.214 89 1HD PRO 10 HD2 PRO 10 -15.800 -0.011 -8.783 90 2HD PRO 10 HD1 PRO 10 -15.956 1.038 -7.358 91 H GLU 11 HN GLU 11 -17.170 -3.054 -7.733 92 HA GLU 11 HA GLU 11 -18.967 -4.866 -6.479 93 1HB GLU 11 HB1 GLU 11 -17.293 -4.819 -8.882 94 2HB GLU 11 HB2 GLU 11 -17.422 -6.416 -8.158 95 1HG GLU 11 HG2 GLU 11 -19.980 -5.839 -8.111 96 2HG GLU 11 HG1 GLU 11 -19.526 -4.712 -9.389 97 H LYS 12 HN LYS 12 -15.418 -4.753 -6.713 98 HA LYS 12 HA LYS 12 -15.078 -7.039 -5.012 99 1HB LYS 12 HB2 LYS 12 -13.173 -4.968 -6.099 100 2HB LYS 12 HB1 LYS 12 -12.654 -6.238 -4.999 101 1HG LYS 12 HG1 LYS 12 -14.026 -7.618 -6.948 102 2HG LYS 12 HG2 LYS 12 -13.195 -6.346 -7.848 103 1HD LYS 12 HD1 LYS 12 -11.655 -7.837 -5.789 104 2HD LYS 12 HD2 LYS 12 -12.026 -8.659 -7.307 105 1HE LYS 12 HE1 LYS 12 -11.130 -6.495 -8.411 106 2HE LYS 12 HE2 LYS 12 -10.387 -6.197 -6.840 107 1HZ LYS 12 HZ1 LYS 12 -9.250 -8.317 -7.009 108 2HZ LYS 12 HZ2 LYS 12 -8.877 -7.342 -8.338 109 3HZ LYS 12 HZ3 LYS 12 -9.972 -8.619 -8.508 110 H LEU 13 HN LEU 13 -15.275 -3.593 -4.623 111 HA LEU 13 HA LEU 13 -14.118 -3.307 -2.100 112 1HB LEU 13 HB1 LEU 13 -16.337 -1.767 -3.439 113 2HB LEU 13 HB2 LEU 13 -15.609 -1.280 -1.920 114 HG LEU 13 HG LEU 13 -14.004 -1.645 -4.443 115 1HD1 LEU 13 HD11 LEU 13 -15.333 0.074 -5.154 116 2HD1 LEU 13 HD12 LEU 13 -14.100 0.982 -4.280 117 3HD1 LEU 13 HD13 LEU 13 -15.656 0.649 -3.519 118 1HD2 LEU 13 HD21 LEU 13 -13.500 -0.540 -1.715 119 2HD2 LEU 13 HD22 LEU 13 -12.599 0.086 -3.096 120 3HD2 LEU 13 HD23 LEU 13 -12.509 -1.627 -2.688 121 H LYS 14 HN LYS 14 -17.272 -4.488 -3.043 122 HA LYS 14 HA LYS 14 -18.625 -4.181 -0.609 123 1HB LYS 14 HB2 LYS 14 -19.007 -5.645 -3.083 124 2HB LYS 14 HB1 LYS 14 -19.535 -6.593 -1.699 125 1HG LYS 14 HG1 LYS 14 -20.626 -4.167 -1.137 126 2HG LYS 14 HG2 LYS 14 -20.704 -4.195 -2.900 127 1HD LYS 14 HD1 LYS 14 -21.925 -6.260 -2.875 128 2HD LYS 14 HD2 LYS 14 -21.705 -6.420 -1.131 129 1HE LYS 14 HE1 LYS 14 -22.875 -4.000 -1.233 130 2HE LYS 14 HE2 LYS 14 -23.591 -4.743 -2.663 131 1HZ LYS 14 HZ1 LYS 14 -24.236 -6.636 -1.224 132 2HZ LYS 14 HZ2 LYS 14 -24.989 -5.180 -0.804 133 3HZ LYS 14 HZ3 LYS 14 -23.697 -5.764 0.121 134 H GLU 15 HN GLU 15 -16.759 -6.944 -1.843 135 HA GLU 15 HA GLU 15 -16.885 -8.317 0.699 136 1HB GLU 15 HB2 GLU 15 -16.860 -9.634 -1.343 137 2HB GLU 15 HB1 GLU 15 -15.338 -8.902 -1.833 138 1HG GLU 15 HG1 GLU 15 -14.285 -10.576 -0.857 139 2HG GLU 15 HG2 GLU 15 -14.865 -9.982 0.699 140 H LEU 16 HN LEU 16 -14.767 -6.162 -0.973 141 HA LEU 16 HA LEU 16 -12.573 -6.583 0.894 142 1HB LEU 16 HB2 LEU 16 -12.875 -5.016 -1.651 143 2HB LEU 16 HB1 LEU 16 -11.508 -4.761 -0.584 144 HG LEU 16 HG LEU 16 -12.229 -7.402 -1.859 145 1HD1 LEU 16 HD21 LEU 16 -10.346 -7.037 -3.322 146 2HD1 LEU 16 HD22 LEU 16 -10.007 -5.487 -2.551 147 3HD1 LEU 16 HD23 LEU 16 -11.487 -5.703 -3.486 148 1HD2 LEU 16 HD11 LEU 16 -9.522 -7.100 -0.915 149 2HD2 LEU 16 HD12 LEU 16 -10.711 -8.351 -0.546 150 3HD2 LEU 16 HD13 LEU 16 -10.682 -6.858 0.393 151 H SER 17 HN SER 17 -15.273 -5.226 1.461 152 HA SER 17 HA SER 17 -15.525 -2.646 1.723 153 1HB SER 17 HB1 SER 17 -15.692 -4.415 4.174 154 2HB SER 17 HB2 SER 17 -16.553 -2.899 3.911 155 HG SER 17 HG SER 17 -17.573 -5.116 3.414 156 H VAL 18 HN VAL 18 -13.742 -1.384 1.613 157 HA VAL 18 HA VAL 18 -11.746 -1.488 3.730 158 HB VAL 18 HB VAL 18 -11.777 0.531 1.508 159 1HG1 VAL 18 HG11 VAL 18 -9.266 -0.701 2.320 160 2HG1 VAL 18 HG12 VAL 18 -10.105 0.106 3.645 161 3HG1 VAL 18 HG13 VAL 18 -9.703 1.001 2.182 162 1HG2 VAL 18 HG21 VAL 18 -10.575 -0.998 0.077 163 2HG2 VAL 18 HG22 VAL 18 -12.130 -1.705 0.510 164 3HG2 VAL 18 HG23 VAL 18 -10.657 -2.263 1.303 165 H GLU 19 HN GLU 19 -14.409 -0.682 4.444 166 HA GLU 19 HA GLU 19 -13.980 2.140 5.156 167 1HB GLU 19 HB1 GLU 19 -16.479 2.149 5.562 168 2HB GLU 19 HB2 GLU 19 -15.982 1.982 3.883 169 1HG GLU 19 HG1 GLU 19 -17.085 0.077 3.690 170 2HG GLU 19 HG2 GLU 19 -16.241 -0.608 5.080 171 H LYS 20 HN LYS 20 -14.200 -1.052 6.327 172 HA LYS 20 HA LYS 20 -14.863 -0.233 9.042 173 1HB LYS 20 HB2 LYS 20 -14.132 -3.006 8.870 174 2HB LYS 20 HB1 LYS 20 -15.685 -2.300 9.282 175 1HG LYS 20 HG2 LYS 20 -15.929 -2.054 6.689 176 2HG LYS 20 HG1 LYS 20 -14.703 -3.324 6.665 177 1HD LYS 20 HD2 LYS 20 -16.959 -3.762 8.509 178 2HD LYS 20 HD1 LYS 20 -17.356 -3.794 6.790 179 1HE LYS 20 HE2 LYS 20 -16.442 -5.805 6.549 180 2HE LYS 20 HE1 LYS 20 -14.936 -5.265 7.291 181 1HZ LYS 20 HZ1 LYS 20 -17.161 -6.714 8.459 182 2HZ LYS 20 HZ2 LYS 20 -16.491 -5.506 9.435 183 3HZ LYS 20 HZ3 LYS 20 -15.516 -6.756 8.848 184 H TRP 21 HN TRP 21 -12.112 -0.543 7.124 185 HA TRP 21 HA TRP 21 -10.364 -1.388 9.282 186 1HB TRP 21 HB2 TRP 21 -9.351 -0.359 6.659 187 2HB TRP 21 HB1 TRP 21 -8.687 -1.616 7.691 188 HD1 TRP 21 HD1 TRP 21 -11.944 -2.913 7.545 189 HE1 TRP 21 HE1 TRP 21 -12.324 -4.486 5.544 190 HE3 TRP 21 HE3 TRP 21 -7.939 -1.556 4.670 191 HZ2 TRP 21 HZ2 TRP 21 -11.086 -5.081 3.078 192 HZ3 TRP 21 HZ3 TRP 21 -7.606 -2.676 2.505 193 HH2 TRP 21 HH2 TRP 21 -9.150 -4.402 1.725 194 HA PRO 22 HA PRO 22 -8.975 2.708 10.258 195 1HB PRO 22 HB2 PRO 22 -6.304 2.379 10.671 196 2HB PRO 22 HB1 PRO 22 -7.539 1.779 11.775 197 1HG PRO 22 HG1 PRO 22 -5.794 0.298 9.955 198 2HG PRO 22 HG2 PRO 22 -6.706 -0.282 11.348 199 1HD PRO 22 HD2 PRO 22 -7.357 -0.530 8.566 200 2HD PRO 22 HD1 PRO 22 -8.267 -1.138 9.961 201 H ILE 23 HN ILE 23 -8.015 4.608 9.524 202 HA ILE 23 HA ILE 23 -6.848 4.445 6.826 203 HB ILE 23 HB ILE 23 -9.009 5.697 7.062 204 1HG1 ILE 23 HG11 ILE 23 -7.011 7.741 6.257 205 2HG1 ILE 23 HG12 ILE 23 -6.908 6.179 5.450 206 1HG2 ILE 23 HG21 ILE 23 -9.230 7.623 8.292 207 2HG2 ILE 23 HG22 ILE 23 -7.496 7.947 8.295 208 3HG2 ILE 23 HG23 ILE 23 -8.158 6.684 9.331 209 1HD1 ILE 23 HD11 ILE 23 -8.517 6.809 4.082 210 2HD1 ILE 23 HD12 ILE 23 -8.682 8.338 4.946 211 3HD1 ILE 23 HD13 ILE 23 -9.622 6.934 5.452 212 H TRP 24 HN TRP 24 -5.026 5.709 6.318 213 HA TRP 24 HA TRP 24 -3.571 6.746 8.663 214 1HB TRP 24 HB1 TRP 24 -2.690 4.580 7.730 215 2HB TRP 24 HB2 TRP 24 -2.318 5.443 6.243 216 HD1 TRP 24 HD1 TRP 24 -1.597 6.364 9.952 217 HE1 TRP 24 HE1 TRP 24 0.908 6.920 10.148 218 HE3 TRP 24 HE3 TRP 24 -0.182 5.455 5.124 219 HZ2 TRP 24 HZ2 TRP 24 3.183 6.967 8.477 220 HZ3 TRP 24 HZ3 TRP 24 2.176 5.779 4.505 221 HH2 TRP 24 HH2 TRP 24 3.823 6.520 6.148 222 H GLU 25 HN GLU 25 -2.038 8.429 8.258 223 HA GLU 25 HA GLU 25 -2.561 9.969 5.803 224 1HB GLU 25 HB2 GLU 25 -2.199 11.080 8.596 225 2HB GLU 25 HB1 GLU 25 -2.393 12.037 7.134 226 1HG GLU 25 HG1 GLU 25 -4.599 10.488 7.005 227 2HG GLU 25 HG2 GLU 25 -4.392 10.618 8.751 228 H LYS 26 HN LYS 26 -0.769 10.511 4.703 229 HA LYS 26 HA LYS 26 1.770 10.735 6.132 230 1HB LYS 26 HB1 LYS 26 1.448 8.369 5.258 231 2HB LYS 26 HB2 LYS 26 1.548 9.051 3.641 232 1HG LYS 26 HG2 LYS 26 3.683 8.127 4.368 233 2HG LYS 26 HG1 LYS 26 3.787 9.869 4.098 234 1HD LYS 26 HD2 LYS 26 3.042 9.303 6.824 235 2HD LYS 26 HD1 LYS 26 4.533 8.459 6.397 236 1HE LYS 26 HE2 LYS 26 5.715 10.358 6.324 237 2HE LYS 26 HE1 LYS 26 4.455 11.207 5.433 238 1HZ LYS 26 HZ1 LYS 26 4.713 10.869 8.359 239 2HZ LYS 26 HZ2 LYS 26 3.251 11.326 7.640 240 3HZ LYS 26 HZ3 LYS 26 4.619 12.306 7.471 241 H GLU 27 HN GLU 27 2.917 12.397 5.477 242 HA GLU 27 HA GLU 27 2.058 13.949 3.194 243 1HB GLU 27 HB2 GLU 27 3.910 15.503 3.969 244 2HB GLU 27 HB1 GLU 27 2.593 15.246 5.105 245 1HG GLU 27 HG1 GLU 27 3.891 13.960 6.524 246 2HG GLU 27 HG2 GLU 27 5.070 13.586 5.268 247 H VAL 28 HN VAL 28 3.661 14.777 1.628 248 HA VAL 28 HA VAL 28 4.870 12.710 0.188 249 HB VAL 28 HB VAL 28 5.457 15.665 0.032 250 1HG1 VAL 28 HG11 VAL 28 6.631 15.335 -1.863 251 2HG1 VAL 28 HG12 VAL 28 5.626 13.982 -2.377 252 3HG1 VAL 28 HG13 VAL 28 6.897 13.731 -1.187 253 1HG2 VAL 28 HG21 VAL 28 3.205 15.595 -0.361 254 2HG2 VAL 28 HG22 VAL 28 3.256 13.952 -1.004 255 3HG2 VAL 28 HG23 VAL 28 3.817 15.303 -1.990 256 H SER 29 HN SER 29 6.037 11.934 2.319 257 HA SER 29 HA SER 29 8.688 13.138 2.600 258 1HB SER 29 HB1 SER 29 6.931 11.987 4.437 259 2HB SER 29 HB2 SER 29 8.196 10.776 4.228 260 HG SER 29 HG SER 29 9.672 12.152 4.999 261 H GLU 30 HN GLU 30 9.979 10.730 3.441 262 HA GLU 30 HA GLU 30 9.893 8.920 1.159 263 1HB GLU 30 HB2 GLU 30 12.247 10.615 1.939 264 2HB GLU 30 HB1 GLU 30 12.508 9.025 1.234 265 1HG GLU 30 HG1 GLU 30 12.283 9.903 -0.777 266 2HG GLU 30 HG2 GLU 30 10.617 10.330 -0.390 267 H PHE 31 HN PHE 31 10.002 6.843 1.904 268 HA PHE 31 HA PHE 31 11.072 6.508 4.630 269 1HB PHE 31 HB1 PHE 31 8.601 5.387 3.339 270 2HB PHE 31 HB2 PHE 31 9.317 4.624 4.755 271 HD1 PHE 31 HD1 PHE 31 9.200 5.659 6.918 272 HD2 PHE 31 HD2 PHE 31 7.587 7.589 3.486 273 HE1 PHE 31 HE1 PHE 31 8.000 7.237 8.374 274 HE2 PHE 31 HE2 PHE 31 6.385 9.172 4.936 275 HZ PHE 31 HZ PHE 31 6.591 8.995 7.385 276 H ASP 32 HN ASP 32 12.432 4.946 5.054 277 HA ASP 32 HA ASP 32 12.970 2.888 3.013 278 1HB ASP 32 HB1 ASP 32 14.867 4.520 3.646 279 2HB ASP 32 HB2 ASP 32 14.890 3.692 5.201 280 H TRP 33 HN TRP 33 11.356 1.528 3.780 281 HA TRP 33 HA TRP 33 11.539 0.718 6.594 282 1HB TRP 33 HB2 TRP 33 9.459 1.775 6.075 283 2HB TRP 33 HB1 TRP 33 9.255 0.798 4.626 284 HD1 TRP 33 HD1 TRP 33 9.433 0.181 8.466 285 HE1 TRP 33 HE1 TRP 33 7.771 -1.705 9.023 286 HE3 TRP 33 HE3 TRP 33 7.814 -0.885 3.742 287 HZ2 TRP 33 HZ2 TRP 33 6.005 -3.421 7.634 288 HZ3 TRP 33 HZ3 TRP 33 6.141 -2.656 3.437 289 HH2 TRP 33 HH2 TRP 33 5.257 -3.899 5.344 290 H TYR 34 HN TYR 34 10.924 -1.433 7.172 291 HA TYR 34 HA TYR 34 11.498 -3.475 5.130 292 1HB TYR 34 HB2 TYR 34 13.439 -3.458 6.487 293 2HB TYR 34 HB1 TYR 34 12.508 -3.236 7.962 294 HD1 TYR 34 HD1 TYR 34 13.278 -5.701 5.297 295 HD2 TYR 34 HD2 TYR 34 11.845 -5.081 9.252 296 HE1 TYR 34 HE1 TYR 34 13.328 -8.128 5.688 297 HE2 TYR 34 HE2 TYR 34 11.890 -7.507 9.656 298 HH TYR 34 HH TYR 34 13.226 -9.515 8.653 299 H TYR 35 HN TYR 35 10.145 -5.255 5.133 300 HA TYR 35 HA TYR 35 7.655 -4.943 6.530 301 1HB TYR 35 HB2 TYR 35 8.551 -6.301 4.204 302 2HB TYR 35 HB1 TYR 35 7.830 -7.497 5.262 303 HD1 TYR 35 HD1 TYR 35 7.201 -4.852 2.940 304 HD2 TYR 35 HD2 TYR 35 5.487 -7.086 6.124 305 HE1 TYR 35 HE1 TYR 35 4.960 -4.152 2.217 306 HE2 TYR 35 HE2 TYR 35 3.245 -6.397 5.414 307 HH TYR 35 HH TYR 35 2.165 -5.617 3.223 308 H ASP 36 HN ASP 36 6.609 -6.761 7.679 309 HA ASP 36 HA ASP 36 8.260 -8.754 8.921 310 1HB ASP 36 HB1 ASP 36 8.471 -6.367 10.144 311 2HB ASP 36 HB2 ASP 36 7.021 -6.966 10.944 312 H THR 37 HN THR 37 5.765 -8.532 7.381 313 HA THR 37 HA THR 37 4.257 -10.533 8.483 314 HB THR 37 HB THR 37 3.440 -9.446 10.333 315 HG1 THR 37 HG1 THR 37 1.427 -9.476 9.829 316 1HG2 THR 37 HG21 THR 37 2.679 -6.965 10.150 317 2HG2 THR 37 HG22 THR 37 3.814 -6.928 8.801 318 3HG2 THR 37 HG23 THR 37 4.376 -7.365 10.415 319 H ASN 38 HN ASN 38 2.061 -10.738 7.495 320 HA ASN 38 HA ASN 38 2.157 -9.832 4.747 321 1HB ASN 38 HB1 ASN 38 1.055 -12.062 6.109 322 2HB ASN 38 HB2 ASN 38 -0.293 -11.189 5.387 323 1HD2 ASN 38 HD22 ASN 38 3.043 -11.651 4.293 324 2HD2 ASN 38 HD21 ASN 38 2.629 -12.396 2.791 325 H GLU 39 HN GLU 39 1.440 -7.853 4.289 326 HA GLU 39 HA GLU 39 -1.002 -6.924 5.644 327 1HB GLU 39 HB1 GLU 39 0.653 -5.582 6.585 328 2HB GLU 39 HB2 GLU 39 1.578 -5.505 5.099 329 1HG GLU 39 HG2 GLU 39 0.283 -3.827 4.208 330 2HG GLU 39 HG1 GLU 39 -1.105 -4.216 5.223 331 H THR 40 HN THR 40 -2.433 -5.669 4.494 332 HA THR 40 HA THR 40 -1.976 -5.285 1.633 333 HB THR 40 HB THR 40 -4.421 -6.624 2.813 334 HG1 THR 40 HG1 THR 40 -2.497 -7.557 0.954 335 1HG2 THR 40 HG21 THR 40 -3.898 -5.641 0.032 336 2HG2 THR 40 HG22 THR 40 -5.274 -5.298 1.079 337 3HG2 THR 40 HG23 THR 40 -5.069 -6.910 0.395 338 H CYS 41 HN CYS 41 -2.221 -3.166 1.320 339 HA CYS 41 HA CYS 41 -4.192 -1.734 2.978 340 1HB CYS 41 HB2 CYS 41 -2.595 0.275 2.315 341 2HB CYS 41 HB1 CYS 41 -2.250 -0.754 3.700 342 HG CYS 41 HG CYS 41 -0.566 -2.051 2.004 343 H TYR 42 HN TYR 42 -5.128 0.184 2.008 344 HA TYR 42 HA TYR 42 -5.302 0.053 -0.926 345 1HB TYR 42 HB1 TYR 42 -7.333 -0.897 -0.357 346 2HB TYR 42 HB2 TYR 42 -7.431 -0.018 1.163 347 HD1 TYR 42 HD1 TYR 42 -8.447 2.183 1.271 348 HD2 TYR 42 HD2 TYR 42 -8.101 0.120 -2.431 349 HE1 TYR 42 HE1 TYR 42 -10.028 3.765 0.247 350 HE2 TYR 42 HE2 TYR 42 -9.675 1.692 -3.467 351 HH TYR 42 HH TYR 42 -11.294 3.274 -2.972 352 H ILE 43 HN ILE 43 -4.907 1.947 -1.898 353 HA ILE 43 HA ILE 43 -4.464 4.304 -0.291 354 HB ILE 43 HB ILE 43 -4.353 4.017 -3.291 355 1HG1 ILE 43 HG12 ILE 43 -1.804 4.396 -2.054 356 2HG1 ILE 43 HG11 ILE 43 -2.615 3.046 -1.263 357 1HG2 ILE 43 HG21 ILE 43 -2.993 6.087 -3.172 358 2HG2 ILE 43 HG22 ILE 43 -3.406 6.214 -1.463 359 3HG2 ILE 43 HG23 ILE 43 -4.673 6.317 -2.687 360 1HD1 ILE 43 HD11 ILE 43 -1.211 2.333 -3.127 361 2HD1 ILE 43 HD12 ILE 43 -2.178 3.322 -4.224 362 3HD1 ILE 43 HD13 ILE 43 -2.907 1.951 -3.394 363 H LEU 44 HN LEU 44 -5.596 6.202 -0.294 364 HA LEU 44 HA LEU 44 -8.251 6.122 -1.565 365 1HB LEU 44 HB2 LEU 44 -8.519 6.010 0.799 366 2HB LEU 44 HB1 LEU 44 -7.360 7.297 1.059 367 HG LEU 44 HG LEU 44 -8.942 8.885 -0.023 368 1HD1 LEU 44 HD21 LEU 44 -11.113 6.870 0.263 369 2HD1 LEU 44 HD22 LEU 44 -10.114 6.846 -1.190 370 3HD1 LEU 44 HD23 LEU 44 -11.023 8.297 -0.769 371 1HD2 LEU 44 HD11 LEU 44 -10.114 9.267 1.910 372 2HD2 LEU 44 HD12 LEU 44 -8.832 8.213 2.506 373 3HD2 LEU 44 HD13 LEU 44 -10.436 7.554 2.185 374 H GLU 45 HN GLU 45 -5.291 7.833 -1.287 375 HA GLU 45 HA GLU 45 -5.752 9.546 -3.404 376 1HB GLU 45 HB2 GLU 45 -5.998 11.735 -2.234 377 2HB GLU 45 HB1 GLU 45 -7.412 10.700 -2.093 378 1HG GLU 45 HG1 GLU 45 -6.343 9.966 0.148 379 2HG GLU 45 HG2 GLU 45 -5.404 11.451 -0.015 380 H GLY 46 HN GLY 46 -3.687 9.442 -4.038 381 1HA GLY 46 HA2 GLY 46 -1.659 10.990 -3.209 382 2HA GLY 46 HA1 GLY 46 -1.534 9.633 -2.101 383 H LYS 47 HN LYS 47 0.644 9.882 -3.417 384 HA LYS 47 HA LYS 47 0.585 7.717 -5.374 385 1HB LYS 47 HB1 LYS 47 0.759 10.374 -6.192 386 2HB LYS 47 HB2 LYS 47 2.423 9.803 -6.224 387 1HG LYS 47 HG1 LYS 47 1.125 7.745 -7.431 388 2HG LYS 47 HG2 LYS 47 0.165 9.129 -7.955 389 1HD LYS 47 HD1 LYS 47 1.734 9.222 -9.583 390 2HD LYS 47 HD2 LYS 47 2.623 10.120 -8.352 391 1HE LYS 47 HE2 LYS 47 3.807 8.122 -7.692 392 2HE LYS 47 HE1 LYS 47 2.848 7.149 -8.807 393 1HZ LYS 47 HZ1 LYS 47 5.185 7.926 -9.511 394 2HZ LYS 47 HZ2 LYS 47 4.438 9.412 -9.819 395 3HZ LYS 47 HZ3 LYS 47 3.923 8.021 -10.633 396 H VAL 48 HN VAL 48 2.068 6.274 -4.840 397 HA VAL 48 HA VAL 48 4.554 7.209 -3.564 398 HB VAL 48 HB VAL 48 2.803 4.907 -2.721 399 1HG1 VAL 48 HG21 VAL 48 4.847 3.802 -2.671 400 2HG1 VAL 48 HG22 VAL 48 4.737 4.478 -1.045 401 3HG1 VAL 48 HG23 VAL 48 5.743 5.266 -2.260 402 1HG2 VAL 48 HG11 VAL 48 4.115 6.816 -0.860 403 2HG2 VAL 48 HG12 VAL 48 2.546 6.018 -0.743 404 3HG2 VAL 48 HG13 VAL 48 2.759 7.390 -1.830 405 H GLU 49 HN GLU 49 6.423 6.237 -4.170 406 HA GLU 49 HA GLU 49 6.249 4.202 -6.295 407 1HB GLU 49 HB1 GLU 49 8.568 6.091 -5.909 408 2HB GLU 49 HB2 GLU 49 8.197 5.100 -7.313 409 1HG GLU 49 HG1 GLU 49 6.400 6.494 -7.942 410 2HG GLU 49 HG2 GLU 49 6.421 7.340 -6.396 411 H VAL 50 HN VAL 50 6.783 2.273 -5.498 412 HA VAL 50 HA VAL 50 8.648 2.138 -3.245 413 HB VAL 50 HB VAL 50 6.763 0.051 -4.345 414 1HG1 VAL 50 HG11 VAL 50 8.742 -0.023 -2.095 415 2HG1 VAL 50 HG12 VAL 50 8.481 -1.196 -3.387 416 3HG1 VAL 50 HG13 VAL 50 7.304 -1.045 -2.080 417 1HG2 VAL 50 HG21 VAL 50 6.143 0.740 -1.688 418 2HG2 VAL 50 HG22 VAL 50 5.201 1.069 -3.143 419 3HG2 VAL 50 HG23 VAL 50 6.372 2.253 -2.564 420 H THR 51 HN THR 51 10.551 1.119 -3.310 421 HA THR 51 HA THR 51 11.267 -0.389 -5.730 422 HB THR 51 HB THR 51 13.367 1.171 -4.284 423 HG1 THR 51 HG1 THR 51 12.464 2.975 -4.803 424 1HG2 THR 51 HG21 THR 51 13.257 1.088 -7.215 425 2HG2 THR 51 HG22 THR 51 13.530 -0.459 -6.411 426 3HG2 THR 51 HG23 THR 51 14.622 0.894 -6.115 427 H THR 52 HN THR 52 11.606 -2.432 -5.156 428 HA THR 52 HA THR 52 12.176 -3.109 -2.412 429 HB THR 52 HB THR 52 11.951 -5.438 -3.177 430 HG1 THR 52 HG1 THR 52 11.662 -5.906 -5.303 431 1HG2 THR 52 HG21 THR 52 9.720 -5.412 -3.331 432 2HG2 THR 52 HG22 THR 52 9.713 -4.229 -4.639 433 3HG2 THR 52 HG23 THR 52 9.920 -3.698 -2.970 434 H GLU 53 HN GLU 53 13.855 -4.708 -1.861 435 HA GLU 53 HA GLU 53 16.415 -3.799 -2.709 436 1HB GLU 53 HB2 GLU 53 16.161 -4.513 -0.442 437 2HB GLU 53 HB1 GLU 53 15.519 -6.072 -0.936 438 1HG GLU 53 HG1 GLU 53 17.714 -6.472 -0.223 439 2HG GLU 53 HG2 GLU 53 17.764 -6.528 -1.985 440 H ASP 54 HN ASP 54 14.496 -6.703 -3.319 441 HA ASP 54 HA ASP 54 16.397 -8.230 -4.661 442 1HB ASP 54 HB1 ASP 54 13.970 -8.816 -3.946 443 2HB ASP 54 HB2 ASP 54 13.515 -8.170 -5.521 444 H GLY 55 HN GLY 55 14.530 -5.483 -5.716 445 1HA GLY 55 HA2 GLY 55 15.626 -4.162 -7.500 446 2HA GLY 55 HA1 GLY 55 15.840 -5.679 -8.358 447 H LYS 56 HN LYS 56 12.891 -5.023 -6.630 448 HA LYS 56 HA LYS 56 11.484 -4.898 -9.201 449 1HB LYS 56 HB1 LYS 56 10.223 -5.367 -6.504 450 2HB LYS 56 HB2 LYS 56 9.555 -5.719 -8.090 451 1HG LYS 56 HG1 LYS 56 11.977 -7.158 -7.862 452 2HG LYS 56 HG2 LYS 56 11.062 -7.410 -6.374 453 1HD LYS 56 HD1 LYS 56 9.757 -8.859 -7.431 454 2HD LYS 56 HD2 LYS 56 9.239 -7.581 -8.533 455 1HE LYS 56 HE1 LYS 56 11.429 -8.073 -9.792 456 2HE LYS 56 HE2 LYS 56 11.452 -9.575 -8.869 457 1HZ LYS 56 HZ1 LYS 56 9.387 -10.225 -9.815 458 2HZ LYS 56 HZ2 LYS 56 10.387 -9.743 -11.092 459 3HZ LYS 56 HZ3 LYS 56 9.160 -8.716 -10.545 460 H LYS 57 HN LYS 57 9.183 -3.713 -8.694 461 HA LYS 57 HA LYS 57 9.510 -1.287 -7.180 462 1HB LYS 57 HB2 LYS 57 10.435 -1.222 -9.772 463 2HB LYS 57 HB1 LYS 57 8.793 -0.617 -9.940 464 1HG LYS 57 HG2 LYS 57 9.199 1.206 -8.525 465 2HG LYS 57 HG1 LYS 57 10.685 0.491 -7.895 466 1HD LYS 57 HD2 LYS 57 10.266 1.429 -10.733 467 2HD LYS 57 HD1 LYS 57 11.126 2.325 -9.479 468 1HE LYS 57 HE2 LYS 57 12.505 0.091 -9.297 469 2HE LYS 57 HE1 LYS 57 11.926 -0.141 -10.946 470 1HZ LYS 57 HZ1 LYS 57 13.288 1.428 -11.720 471 2HZ LYS 57 HZ2 LYS 57 14.125 1.259 -10.259 472 3HZ LYS 57 HZ3 LYS 57 12.980 2.491 -10.440 473 H TYR 58 HN TYR 58 7.558 -0.229 -6.785 474 HA TYR 58 HA TYR 58 5.162 -1.364 -8.037 475 1HB TYR 58 HB2 TYR 58 5.201 -0.833 -5.079 476 2HB TYR 58 HB1 TYR 58 4.080 -1.820 -6.010 477 HD1 TYR 58 HD1 TYR 58 5.623 -3.689 -7.457 478 HD2 TYR 58 HD2 TYR 58 6.385 -2.107 -3.581 479 HE1 TYR 58 HE1 TYR 58 6.925 -5.700 -6.901 480 HE2 TYR 58 HE2 TYR 58 7.690 -4.115 -3.014 481 HH TYR 58 HH TYR 58 8.536 -6.494 -5.402 482 H VAL 59 HN VAL 59 4.206 0.287 -8.994 483 HA VAL 59 HA VAL 59 4.200 2.905 -7.651 484 HB VAL 59 HB VAL 59 5.155 2.899 -9.922 485 1HG1 VAL 59 HG21 VAL 59 2.534 2.490 -11.208 486 2HG1 VAL 59 HG22 VAL 59 3.303 1.049 -10.545 487 3HG1 VAL 59 HG23 VAL 59 4.149 2.027 -11.745 488 1HG2 VAL 59 HG11 VAL 59 3.766 4.724 -10.844 489 2HG2 VAL 59 HG12 VAL 59 4.112 4.925 -9.126 490 3HG2 VAL 59 HG13 VAL 59 2.527 4.351 -9.646 491 H ILE 60 HN ILE 60 2.395 3.327 -6.566 492 HA ILE 60 HA ILE 60 -0.164 2.390 -7.685 493 HB ILE 60 HB ILE 60 -0.994 2.176 -5.341 494 1HG1 ILE 60 HG12 ILE 60 0.831 1.809 -3.612 495 2HG1 ILE 60 HG11 ILE 60 1.940 2.582 -4.733 496 1HG2 ILE 60 HG21 ILE 60 0.669 0.099 -4.944 497 2HG2 ILE 60 HG22 ILE 60 0.992 0.440 -6.644 498 3HG2 ILE 60 HG23 ILE 60 -0.653 0.089 -6.111 499 1HD1 ILE 60 HD11 ILE 60 1.260 4.604 -4.129 500 2HD1 ILE 60 HD12 ILE 60 0.448 3.810 -2.780 501 3HD1 ILE 60 HD13 ILE 60 -0.441 4.162 -4.260 502 H GLU 61 HN GLU 61 -1.904 3.776 -7.551 503 HA GLU 61 HA GLU 61 -1.529 6.265 -6.135 504 1HB GLU 61 HB2 GLU 61 -0.656 6.808 -8.346 505 2HB GLU 61 HB1 GLU 61 -2.130 6.209 -9.099 506 1HG GLU 61 HG1 GLU 61 -3.420 7.974 -8.142 507 2HG GLU 61 HG2 GLU 61 -2.055 8.501 -7.158 508 H LYS 62 HN LYS 62 -3.349 7.327 -5.573 509 HA LYS 62 HA LYS 62 -5.487 7.083 -4.587 510 1HB LYS 62 HB2 LYS 62 -5.476 8.924 -6.116 511 2HB LYS 62 HB1 LYS 62 -5.718 7.856 -7.490 512 1HG LYS 62 HG2 LYS 62 -7.733 9.148 -6.795 513 2HG LYS 62 HG1 LYS 62 -7.958 7.399 -6.851 514 1HD LYS 62 HD1 LYS 62 -8.359 7.263 -4.650 515 2HD LYS 62 HD2 LYS 62 -7.063 8.392 -4.251 516 1HE LYS 62 HE2 LYS 62 -8.518 10.043 -3.966 517 2HE LYS 62 HE1 LYS 62 -9.186 9.785 -5.578 518 1HZ LYS 62 HZ1 LYS 62 -10.737 8.244 -4.745 519 2HZ LYS 62 HZ2 LYS 62 -10.784 9.551 -3.672 520 3HZ LYS 62 HZ3 LYS 62 -9.964 8.135 -3.244 521 H GLY 63 HN GLY 63 -6.568 5.358 -3.952 522 1HA GLY 63 HA1 GLY 63 -8.094 3.639 -4.013 523 2HA GLY 63 HA2 GLY 63 -8.482 4.143 -5.649 524 H ASP 64 HN ASP 64 -5.569 2.795 -4.133 525 HA ASP 64 HA ASP 64 -5.779 0.484 -5.925 526 1HB ASP 64 HB2 ASP 64 -4.140 2.355 -6.712 527 2HB ASP 64 HB1 ASP 64 -3.105 1.755 -5.419 528 H LEU 65 HN LEU 65 -4.547 -1.371 -5.212 529 HA LEU 65 HA LEU 65 -3.595 -1.269 -2.474 530 1HB LEU 65 HB2 LEU 65 -4.942 -2.901 -1.578 531 2HB LEU 65 HB1 LEU 65 -6.055 -1.954 -2.534 532 HG LEU 65 HG LEU 65 -4.946 -4.676 -3.169 533 1HD1 LEU 65 HD21 LEU 65 -6.771 -5.223 -1.999 534 2HD1 LEU 65 HD22 LEU 65 -7.672 -4.699 -3.423 535 3HD1 LEU 65 HD23 LEU 65 -7.419 -3.583 -2.078 536 1HD2 LEU 65 HD11 LEU 65 -6.772 -4.184 -5.111 537 2HD2 LEU 65 HD12 LEU 65 -5.028 -4.036 -5.318 538 3HD2 LEU 65 HD13 LEU 65 -5.999 -2.610 -4.957 539 H VAL 66 HN VAL 66 -2.043 -2.793 -1.984 540 HA VAL 66 HA VAL 66 -1.218 -4.559 -4.186 541 HB VAL 66 HB VAL 66 0.602 -2.762 -2.581 542 1HG1 VAL 66 HG21 VAL 66 2.389 -3.626 -4.053 543 2HG1 VAL 66 HG22 VAL 66 1.246 -4.799 -4.709 544 3HG1 VAL 66 HG23 VAL 66 1.701 -4.867 -3.005 545 1HG2 VAL 66 HG11 VAL 66 -0.419 -1.415 -4.191 546 2HG2 VAL 66 HG12 VAL 66 -0.393 -2.691 -5.408 547 3HG2 VAL 66 HG13 VAL 66 1.107 -1.894 -4.934 548 H THR 67 HN THR 67 -0.034 -6.405 -3.602 549 HA THR 67 HA THR 67 -0.406 -7.217 -0.804 550 HB THR 67 HB THR 67 0.000 -8.824 -3.332 551 HG1 THR 67 HG1 THR 67 -2.154 -8.489 -1.532 552 1HG2 THR 67 HG21 THR 67 -0.223 -9.838 -0.513 553 2HG2 THR 67 HG22 THR 67 1.160 -10.008 -1.595 554 3HG2 THR 67 HG23 THR 67 -0.357 -10.829 -1.966 555 H PHE 68 HN PHE 68 1.314 -7.732 0.467 556 HA PHE 68 HA PHE 68 3.965 -7.739 -0.796 557 1HB PHE 68 HB2 PHE 68 3.258 -6.318 1.766 558 2HB PHE 68 HB1 PHE 68 4.839 -6.343 0.997 559 HD1 PHE 68 HD1 PHE 68 1.398 -5.072 0.754 560 HD2 PHE 68 HD2 PHE 68 5.344 -4.900 -0.826 561 HE1 PHE 68 HE1 PHE 68 0.801 -3.045 -0.509 562 HE2 PHE 68 HE2 PHE 68 4.756 -2.874 -2.091 563 HZ PHE 68 HZ PHE 68 2.481 -1.945 -1.934 564 HA PRO 69 HA PRO 69 4.468 -11.267 1.885 565 1HB PRO 69 HB1 PRO 69 7.117 -11.720 1.196 566 2HB PRO 69 HB2 PRO 69 5.715 -12.330 0.326 567 1HG PRO 69 HG1 PRO 69 7.617 -10.372 -0.532 568 2HG PRO 69 HG2 PRO 69 6.223 -11.004 -1.419 569 1HD PRO 69 HD2 PRO 69 6.523 -8.464 0.006 570 2HD PRO 69 HD1 PRO 69 5.323 -8.949 -1.206 571 H LYS 70 HN LYS 70 5.336 -11.747 3.869 572 HA LYS 70 HA LYS 70 6.273 -9.735 5.526 573 1HB LYS 70 HB1 LYS 70 5.331 -11.792 6.409 574 2HB LYS 70 HB2 LYS 70 6.665 -12.726 5.746 575 1HG LYS 70 HG1 LYS 70 8.210 -11.504 7.242 576 2HG LYS 70 HG2 LYS 70 6.816 -10.690 7.957 577 1HD LYS 70 HD1 LYS 70 6.144 -13.378 8.035 578 2HD LYS 70 HD2 LYS 70 7.861 -13.352 8.444 579 1HE LYS 70 HE1 LYS 70 7.084 -11.352 9.993 580 2HE LYS 70 HE2 LYS 70 5.539 -12.196 9.894 581 1HZ LYS 70 HZ1 LYS 70 6.820 -14.245 10.568 582 2HZ LYS 70 HZ2 LYS 70 6.630 -13.063 11.764 583 3HZ LYS 70 HZ3 LYS 70 8.106 -13.218 10.954 584 H GLY 71 HN GLY 71 8.290 -9.057 6.202 585 1HA GLY 71 HA2 GLY 71 10.615 -8.968 6.268 586 2HA GLY 71 HA1 GLY 71 10.673 -10.340 5.173 587 H LEU 72 HN LEU 72 8.749 -8.765 3.356 588 HA LEU 72 HA LEU 72 10.500 -7.958 1.445 589 1HB LEU 72 HB2 LEU 72 8.252 -8.134 0.829 590 2HB LEU 72 HB1 LEU 72 7.719 -7.044 2.091 591 HG LEU 72 HG LEU 72 8.266 -5.141 0.872 592 1HD1 LEU 72 HD11 LEU 72 10.338 -6.858 -0.306 593 2HD1 LEU 72 HD12 LEU 72 10.371 -5.139 0.085 594 3HD1 LEU 72 HD13 LEU 72 9.620 -5.688 -1.412 595 1HD2 LEU 72 HD21 LEU 72 6.416 -6.467 -0.136 596 2HD2 LEU 72 HD22 LEU 72 7.576 -7.113 -1.296 597 3HD2 LEU 72 HD23 LEU 72 7.229 -5.384 -1.265 598 H ARG 73 HN ARG 73 12.250 -6.726 1.912 599 HA ARG 73 HA ARG 73 11.921 -4.192 3.314 600 1HB ARG 73 HB1 ARG 73 13.913 -5.907 3.489 601 2HB ARG 73 HB2 ARG 73 14.487 -5.086 2.046 602 1HG ARG 73 HG1 ARG 73 13.886 -2.997 3.710 603 2HG ARG 73 HG2 ARG 73 14.505 -4.218 4.824 604 1HD ARG 73 HD1 ARG 73 16.052 -3.910 2.350 605 2HD ARG 73 HD2 ARG 73 16.049 -2.493 3.398 606 HE ARG 73 HE ARG 73 16.605 -4.527 5.096 607 1HH1 ARG 73 HH12 ARG 73 17.982 -3.472 2.076 608 2HH1 ARG 73 HH11 ARG 73 19.576 -4.032 2.458 609 1HH2 ARG 73 HH22 ARG 73 18.700 -5.267 5.610 610 2HH2 ARG 73 HH21 ARG 73 19.985 -5.053 4.467 611 H CYS 74 HN CYS 74 11.287 -2.440 2.178 612 HA CYS 74 HA CYS 74 12.578 -1.889 -0.369 613 1HB CYS 74 HB2 CYS 74 10.380 -1.456 -1.485 614 2HB CYS 74 HB1 CYS 74 10.682 -3.153 -1.128 615 HG CYS 74 HG CYS 74 8.964 -2.989 0.822 616 H ARG 75 HN ARG 75 12.825 0.226 -0.781 617 HA ARG 75 HA ARG 75 11.966 2.118 1.256 618 1HB ARG 75 HB2 ARG 75 14.226 2.411 0.630 619 2HB ARG 75 HB1 ARG 75 13.868 2.235 -1.078 620 1HG ARG 75 HG2 ARG 75 14.139 4.462 -1.078 621 2HG ARG 75 HG1 ARG 75 12.460 4.472 -0.548 622 1HD ARG 75 HD2 ARG 75 13.055 5.504 1.312 623 2HD ARG 75 HD1 ARG 75 14.061 4.123 1.751 624 HE ARG 75 HE ARG 75 15.659 5.457 0.065 625 1HH1 ARG 75 HH11 ARG 75 13.772 6.525 2.793 626 2HH1 ARG 75 HH12 ARG 75 14.854 7.815 3.199 627 1HH2 ARG 75 HH21 ARG 75 17.088 7.155 0.594 628 2HH2 ARG 75 HH22 ARG 75 16.736 8.173 1.950 629 H TRP 76 HN TRP 76 10.437 3.684 0.951 630 HA TRP 76 HA TRP 76 9.327 4.000 -1.736 631 1HB TRP 76 HB1 TRP 76 7.013 4.006 -0.705 632 2HB TRP 76 HB2 TRP 76 7.819 2.451 -0.824 633 HD1 TRP 76 HD1 TRP 76 8.475 1.201 1.402 634 HE1 TRP 76 HE1 TRP 76 7.700 1.508 3.831 635 HE3 TRP 76 HE3 TRP 76 6.335 5.822 0.987 636 HZ2 TRP 76 HZ2 TRP 76 6.360 3.460 5.378 637 HZ3 TRP 76 HZ3 TRP 76 5.328 6.841 2.988 638 HH2 TRP 76 HH2 TRP 76 5.340 5.683 5.136 639 H LYS 77 HN LYS 77 8.523 5.948 -2.236 640 HA LYS 77 HA LYS 77 8.638 8.047 -0.184 641 1HB LYS 77 HB1 LYS 77 9.618 9.537 -1.949 642 2HB LYS 77 HB2 LYS 77 10.683 8.246 -1.416 643 1HG LYS 77 HG1 LYS 77 9.530 7.015 -3.487 644 2HG LYS 77 HG2 LYS 77 9.397 8.688 -4.036 645 1HD LYS 77 HD2 LYS 77 11.747 9.008 -3.910 646 2HD LYS 77 HD1 LYS 77 11.973 7.486 -3.045 647 1HE LYS 77 HE1 LYS 77 11.266 6.245 -5.017 648 2HE LYS 77 HE2 LYS 77 10.985 7.755 -5.882 649 1HZ LYS 77 HZ1 LYS 77 13.093 6.880 -6.527 650 2HZ LYS 77 HZ2 LYS 77 13.593 6.716 -4.920 651 3HZ LYS 77 HZ3 LYS 77 13.374 8.256 -5.585 652 H VAL 78 HN VAL 78 6.864 9.276 -0.126 653 HA VAL 78 HA VAL 78 4.800 8.877 -2.112 654 HB VAL 78 HB VAL 78 4.630 10.808 0.180 655 1HG1 VAL 78 HG11 VAL 78 2.345 10.645 -0.060 656 2HG1 VAL 78 HG12 VAL 78 2.434 9.062 -0.831 657 3HG1 VAL 78 HG13 VAL 78 2.886 10.507 -1.734 658 1HG2 VAL 78 HG21 VAL 78 4.867 9.175 1.661 659 2HG2 VAL 78 HG22 VAL 78 5.077 7.990 0.371 660 3HG2 VAL 78 HG23 VAL 78 3.460 8.376 0.959 661 H LEU 79 HN LEU 79 4.192 10.279 -3.675 662 HA LEU 79 HA LEU 79 5.881 12.612 -4.107 663 1HB LEU 79 HB2 LEU 79 3.663 11.856 -5.954 664 2HB LEU 79 HB1 LEU 79 5.225 12.558 -6.321 665 HG LEU 79 HG LEU 79 4.570 9.680 -5.739 666 1HD1 LEU 79 HD11 LEU 79 4.439 10.745 -8.066 667 2HD1 LEU 79 HD12 LEU 79 5.370 9.257 -7.890 668 3HD1 LEU 79 HD13 LEU 79 6.200 10.810 -7.988 669 1HD2 LEU 79 HD21 LEU 79 7.314 9.908 -6.257 670 2HD2 LEU 79 HD22 LEU 79 6.538 9.396 -4.759 671 3HD2 LEU 79 HD23 LEU 79 6.954 11.093 -5.001 672 H GLU 80 HN GLU 80 2.607 11.797 -3.262 673 HA GLU 80 HA GLU 80 2.075 14.614 -2.692 674 1HB GLU 80 HB2 GLU 80 0.393 12.828 -4.432 675 2HB GLU 80 HB1 GLU 80 -0.312 14.188 -3.571 676 1HG GLU 80 HG2 GLU 80 2.031 14.480 -5.426 677 2HG GLU 80 HG1 GLU 80 0.356 14.590 -5.970 678 HA PRO 81 HA PRO 81 0.397 13.487 1.237 679 1HB PRO 81 HB2 PRO 81 -2.196 14.488 0.096 680 2HB PRO 81 HB1 PRO 81 -1.501 14.761 1.700 681 1HG PRO 81 HG2 PRO 81 -1.278 16.631 -0.167 682 2HG PRO 81 HG1 PRO 81 0.092 16.264 0.891 683 1HD PRO 81 HD2 PRO 81 -0.317 15.596 -1.977 684 2HD PRO 81 HD1 PRO 81 1.191 15.892 -1.089 685 H VAL 82 HN VAL 82 0.174 11.392 1.646 686 HA VAL 82 HA VAL 82 -1.633 9.815 -0.024 687 HB VAL 82 HB VAL 82 1.046 9.445 0.844 688 1HG1 VAL 82 HG21 VAL 82 0.012 8.211 2.782 689 2HG1 VAL 82 HG22 VAL 82 1.139 7.284 1.790 690 3HG1 VAL 82 HG23 VAL 82 -0.600 7.046 1.606 691 1HG2 VAL 82 HG11 VAL 82 -0.752 7.668 -0.785 692 2HG2 VAL 82 HG12 VAL 82 1.010 7.627 -0.762 693 3HG2 VAL 82 HG13 VAL 82 0.170 9.045 -1.386 694 H ARG 83 HN ARG 83 -3.246 8.624 0.739 695 HA ARG 83 HA ARG 83 -3.576 8.244 3.621 696 1HB ARG 83 HB2 ARG 83 -5.382 9.759 1.825 697 2HB ARG 83 HB1 ARG 83 -6.162 8.615 2.907 698 1HG ARG 83 HG1 ARG 83 -4.250 10.102 4.398 699 2HG ARG 83 HG2 ARG 83 -5.244 11.226 3.470 700 1HD ARG 83 HD2 ARG 83 -7.030 9.338 4.487 701 2HD ARG 83 HD1 ARG 83 -5.916 9.678 5.810 702 HE ARG 83 HE ARG 83 -6.821 11.771 5.988 703 1HH1 ARG 83 HH21 ARG 83 -7.755 10.382 2.936 704 2HH1 ARG 83 HH22 ARG 83 -8.867 11.652 2.550 705 1HH2 ARG 83 HH11 ARG 83 -8.280 13.450 5.492 706 2HH2 ARG 83 HH12 ARG 83 -9.165 13.399 4.004 707 H LYS 84 HN LYS 84 -3.722 6.081 3.902 708 HA LYS 84 HA LYS 84 -5.215 4.546 1.893 709 1HB LYS 84 HB2 LYS 84 -3.517 3.085 1.443 710 2HB LYS 84 HB1 LYS 84 -2.583 4.540 1.748 711 1HG LYS 84 HG1 LYS 84 -2.758 3.412 4.242 712 2HG LYS 84 HG2 LYS 84 -2.631 2.008 3.180 713 1HD LYS 84 HD1 LYS 84 -0.782 4.360 2.907 714 2HD LYS 84 HD2 LYS 84 -0.459 3.063 4.061 715 1HE LYS 84 HE1 LYS 84 -0.312 1.445 2.334 716 2HE LYS 84 HE2 LYS 84 -0.956 2.567 1.136 717 1HZ LYS 84 HZ1 LYS 84 1.734 2.209 2.015 718 2HZ LYS 84 HZ2 LYS 84 1.253 3.826 2.140 719 3HZ LYS 84 HZ3 LYS 84 1.148 3.025 0.654 720 H HIS 85 HN HIS 85 -5.932 2.450 2.574 721 HA HIS 85 HA HIS 85 -6.591 2.394 5.426 722 1HB HIS 85 HB1 HIS 85 -7.797 0.884 3.100 723 2HB HIS 85 HB2 HIS 85 -8.350 0.789 4.769 724 HD1 HIS 85 HD1 HIS 85 -10.510 2.000 4.860 725 HD2 HIS 85 HD2 HIS 85 -7.684 4.021 2.586 726 HE1 HIS 85 HE1 HIS 85 -11.604 4.167 4.201 727 HE2 HIS 85 HE2 HIS 85 -9.875 5.375 2.822 728 H TYR 86 HN TYR 86 -6.666 0.191 6.447 729 HA TYR 86 HA TYR 86 -4.282 -1.324 5.587 730 1HB TYR 86 HB2 TYR 86 -5.326 -0.635 8.317 731 2HB TYR 86 HB1 TYR 86 -4.085 -1.853 8.063 732 HD1 TYR 86 HD1 TYR 86 -4.535 1.392 9.030 733 HD2 TYR 86 HD2 TYR 86 -2.185 -0.887 6.322 734 HE1 TYR 86 HE1 TYR 86 -2.838 3.153 9.045 735 HE2 TYR 86 HE2 TYR 86 -0.472 0.868 6.319 736 HH TYR 86 HH TYR 86 -0.199 3.178 8.562 737 H ASN 87 HN ASN 87 -4.175 -3.497 5.840 738 HA ASN 87 HA ASN 87 -6.414 -5.003 6.895 739 1HB ASN 87 HB2 ASN 87 -6.553 -4.492 4.252 740 2HB ASN 87 HB1 ASN 87 -5.534 -5.927 4.217 741 1HD2 ASN 87 HD21 ASN 87 -6.371 -7.735 5.678 742 2HD2 ASN 87 HD22 ASN 87 -8.065 -8.060 5.574 743 H LEU 88 HN LEU 88 -4.308 -5.006 8.261 744 HA LEU 88 HA LEU 88 -2.271 -6.836 7.329 745 1HB LEU 88 HB1 LEU 88 -2.170 -6.062 10.157 746 2HB LEU 88 HB2 LEU 88 -0.923 -6.013 8.931 747 HG LEU 88 HG LEU 88 -1.147 -3.788 9.509 748 1HD1 LEU 88 HD21 LEU 88 -1.591 -2.805 7.560 749 2HD1 LEU 88 HD22 LEU 88 -3.215 -3.481 7.475 750 3HD1 LEU 88 HD23 LEU 88 -1.832 -4.459 6.994 751 1HD2 LEU 88 HD11 LEU 88 -3.555 -4.526 10.590 752 2HD2 LEU 88 HD12 LEU 88 -4.013 -3.386 9.325 753 3HD2 LEU 88 HD13 LEU 88 -2.875 -2.900 10.580 754 H PHE 89 HN PHE 89 -1.709 -8.803 8.309 755 HA PHE 89 HA PHE 89 -3.975 -10.121 9.632 756 1HB PHE 89 HB2 PHE 89 -1.594 -11.235 8.139 757 2HB PHE 89 HB1 PHE 89 -2.753 -12.237 9.007 758 HD1 PHE 89 HD1 PHE 89 -4.802 -12.839 8.043 759 HD2 PHE 89 HD2 PHE 89 -2.401 -9.839 6.215 760 HE1 PHE 89 HE1 PHE 89 -6.257 -12.889 6.059 761 HE2 PHE 89 HE2 PHE 89 -3.849 -9.884 4.228 762 HZ PHE 89 HZ PHE 89 -5.781 -11.409 4.148 Start of MODEL 9 1 1H MET 1 HT1 MET 1 7.090 -14.702 -3.343 2 2H MET 1 HT2 MET 1 6.198 -14.413 -1.906 3 3H MET 1 HT3 MET 1 7.907 -14.262 -1.900 4 HA MET 1 HA MET 1 6.561 -12.173 -1.965 5 1HB MET 1 HB1 MET 1 8.796 -12.954 -3.813 6 2HB MET 1 HB2 MET 1 8.167 -11.312 -3.836 7 1HG MET 1 HG1 MET 1 8.621 -11.198 -1.378 8 2HG MET 1 HG2 MET 1 9.443 -12.751 -1.526 9 1HE MET 1 HE1 MET 1 10.027 -9.904 -0.527 10 2HE MET 1 HE2 MET 1 10.745 -8.775 -1.676 11 3HE MET 1 HE3 MET 1 11.776 -9.862 -0.746 12 H GLU 2 HN GLU 2 4.719 -11.455 -2.794 13 HA GLU 2 HA GLU 2 4.295 -11.584 -5.673 14 1HB GLU 2 HB2 GLU 2 3.157 -13.535 -4.226 15 2HB GLU 2 HB1 GLU 2 1.926 -12.293 -4.029 16 1HG GLU 2 HG2 GLU 2 2.667 -12.392 -6.769 17 2HG GLU 2 HG1 GLU 2 2.345 -14.034 -6.215 18 H VAL 3 HN VAL 3 4.739 -9.311 -5.410 19 HA VAL 3 HA VAL 3 2.677 -7.750 -4.041 20 HB VAL 3 HB VAL 3 5.074 -6.629 -5.461 21 1HG1 VAL 3 HG21 VAL 3 4.793 -4.769 -3.939 22 2HG1 VAL 3 HG22 VAL 3 3.459 -5.599 -3.139 23 3HG1 VAL 3 HG23 VAL 3 3.294 -5.075 -4.815 24 1HG2 VAL 3 HG11 VAL 3 6.257 -6.673 -3.300 25 2HG2 VAL 3 HG12 VAL 3 5.925 -8.290 -3.920 26 3HG2 VAL 3 HG13 VAL 3 4.937 -7.625 -2.619 27 H LYS 4 HN LYS 4 0.897 -7.479 -5.256 28 HA LYS 4 HA LYS 4 1.257 -6.869 -8.108 29 1HB LYS 4 HB1 LYS 4 -0.852 -7.797 -8.543 30 2HB LYS 4 HB2 LYS 4 -0.131 -8.888 -7.375 31 1HG LYS 4 HG2 LYS 4 -1.917 -6.699 -6.409 32 2HG LYS 4 HG1 LYS 4 -2.616 -8.137 -7.143 33 1HD LYS 4 HD1 LYS 4 -1.084 -9.426 -5.506 34 2HD LYS 4 HD2 LYS 4 -1.000 -7.890 -4.639 35 1HE LYS 4 HE2 LYS 4 -3.090 -8.090 -3.858 36 2HE LYS 4 HE1 LYS 4 -3.712 -8.643 -5.412 37 1HZ LYS 4 HZ1 LYS 4 -2.278 -10.328 -3.431 38 2HZ LYS 4 HZ2 LYS 4 -2.882 -10.855 -4.921 39 3HZ LYS 4 HZ3 LYS 4 -3.946 -10.339 -3.712 40 H ILE 5 HN ILE 5 0.052 -5.194 -9.076 41 HA ILE 5 HA ILE 5 -1.079 -3.241 -7.185 42 HB ILE 5 HB ILE 5 0.459 -2.537 -9.682 43 1HG1 ILE 5 HG12 ILE 5 1.929 -1.533 -7.637 44 2HG1 ILE 5 HG11 ILE 5 1.299 -2.993 -6.880 45 1HG2 ILE 5 HG21 ILE 5 -1.420 -1.074 -8.295 46 2HG2 ILE 5 HG22 ILE 5 -0.190 -0.424 -9.379 47 3HG2 ILE 5 HG23 ILE 5 0.112 -0.494 -7.644 48 1HD1 ILE 5 HD11 ILE 5 2.620 -3.088 -9.559 49 2HD1 ILE 5 HD12 ILE 5 2.368 -4.388 -8.395 50 3HD1 ILE 5 HD13 ILE 5 3.552 -3.125 -8.063 51 H GLU 6 HN GLU 6 -3.178 -3.006 -7.525 52 HA GLU 6 HA GLU 6 -4.172 -2.671 -10.233 53 1HB GLU 6 HB1 GLU 6 -5.251 -4.852 -8.433 54 2HB GLU 6 HB2 GLU 6 -5.913 -4.388 -9.994 55 1HG GLU 6 HG1 GLU 6 -3.619 -4.970 -10.945 56 2HG GLU 6 HG2 GLU 6 -3.319 -5.763 -9.398 57 H LYS 7 HN LYS 7 -6.276 -1.731 -10.313 58 HA LYS 7 HA LYS 7 -6.942 -0.314 -7.840 59 1HB LYS 7 HB2 LYS 7 -7.348 0.252 -10.739 60 2HB LYS 7 HB1 LYS 7 -8.490 0.933 -9.589 61 1HG LYS 7 HG1 LYS 7 -7.050 2.502 -8.934 62 2HG LYS 7 HG2 LYS 7 -5.729 1.340 -8.784 63 1HD LYS 7 HD1 LYS 7 -6.689 2.553 -11.374 64 2HD LYS 7 HD2 LYS 7 -5.276 3.090 -10.465 65 1HE LYS 7 HE1 LYS 7 -4.392 0.738 -10.677 66 2HE LYS 7 HE2 LYS 7 -5.703 0.435 -11.817 67 1HZ LYS 7 HZ1 LYS 7 -4.285 1.169 -13.347 68 2HZ LYS 7 HZ2 LYS 7 -3.237 1.848 -12.206 69 3HZ LYS 7 HZ3 LYS 7 -4.582 2.722 -12.745 70 HA PRO 8 HA PRO 8 -10.169 -3.335 -7.189 71 1HB PRO 8 HB2 PRO 8 -11.614 -1.383 -5.620 72 2HB PRO 8 HB1 PRO 8 -10.744 -2.813 -5.068 73 1HG PRO 8 HG2 PRO 8 -9.864 -0.005 -5.149 74 2HG PRO 8 HG1 PRO 8 -9.235 -1.351 -4.179 75 1HD PRO 8 HD2 PRO 8 -7.838 -0.313 -6.205 76 2HD PRO 8 HD1 PRO 8 -7.803 -2.039 -5.836 77 H THR 9 HN THR 9 -12.297 -3.692 -7.783 78 HA THR 9 HA THR 9 -13.147 -2.885 -10.169 79 HB THR 9 HB THR 9 -14.907 -3.531 -7.835 80 HG1 THR 9 HG1 THR 9 -14.753 -5.642 -8.669 81 1HG2 THR 9 HG21 THR 9 -15.551 -3.931 -10.735 82 2HG2 THR 9 HG22 THR 9 -16.154 -2.581 -9.773 83 3HG2 THR 9 HG23 THR 9 -16.594 -4.235 -9.345 84 HA PRO 10 HA PRO 10 -13.502 -1.897 -6.652 85 1HB PRO 10 HB2 PRO 10 -14.351 0.140 -4.997 86 2HB PRO 10 HB1 PRO 10 -12.812 0.119 -5.858 87 1HG PRO 10 HG1 PRO 10 -14.983 1.888 -6.258 88 2HG PRO 10 HG2 PRO 10 -13.511 1.769 -7.235 89 1HD PRO 10 HD1 PRO 10 -16.187 0.544 -7.662 90 2HD PRO 10 HD2 PRO 10 -15.033 1.172 -8.861 91 H GLU 11 HN GLU 11 -16.362 -2.324 -7.752 92 HA GLU 11 HA GLU 11 -18.188 -2.255 -5.633 93 1HB GLU 11 HB1 GLU 11 -18.109 -3.339 -8.245 94 2HB GLU 11 HB2 GLU 11 -18.536 -4.663 -7.169 95 1HG GLU 11 HG2 GLU 11 -20.467 -3.409 -8.127 96 2HG GLU 11 HG1 GLU 11 -20.445 -3.512 -6.368 97 H LYS 12 HN LYS 12 -15.445 -4.268 -6.227 98 HA LYS 12 HA LYS 12 -16.025 -6.425 -4.533 99 1HB LYS 12 HB1 LYS 12 -13.925 -5.693 -6.189 100 2HB LYS 12 HB2 LYS 12 -13.218 -5.655 -4.579 101 1HG LYS 12 HG2 LYS 12 -13.415 -7.901 -4.284 102 2HG LYS 12 HG1 LYS 12 -14.849 -8.020 -5.305 103 1HD LYS 12 HD1 LYS 12 -13.398 -8.955 -6.761 104 2HD LYS 12 HD2 LYS 12 -13.030 -7.271 -7.141 105 1HE LYS 12 HE1 LYS 12 -10.925 -8.157 -6.807 106 2HE LYS 12 HE2 LYS 12 -11.298 -7.486 -5.219 107 1HZ LYS 12 HZ1 LYS 12 -10.461 -9.995 -5.644 108 2HZ LYS 12 HZ2 LYS 12 -12.136 -10.225 -5.602 109 3HZ LYS 12 HZ3 LYS 12 -11.349 -9.507 -4.290 110 H LEU 13 HN LEU 13 -14.901 -3.185 -4.034 111 HA LEU 13 HA LEU 13 -13.885 -3.427 -1.429 112 1HB LEU 13 HB1 LEU 13 -15.247 -1.000 -2.580 113 2HB LEU 13 HB2 LEU 13 -14.064 -1.040 -1.286 114 HG LEU 13 HG LEU 13 -13.620 -1.464 -4.221 115 1HD1 LEU 13 HD11 LEU 13 -11.994 0.307 -3.956 116 2HD1 LEU 13 HD12 LEU 13 -12.292 0.346 -2.219 117 3HD1 LEU 13 HD13 LEU 13 -13.561 0.832 -3.341 118 1HD2 LEU 13 HD21 LEU 13 -12.161 -3.039 -3.757 119 2HD2 LEU 13 HD22 LEU 13 -12.175 -2.678 -2.031 120 3HD2 LEU 13 HD23 LEU 13 -11.160 -1.734 -3.121 121 H LYS 14 HN LYS 14 -17.143 -3.270 -2.650 122 HA LYS 14 HA LYS 14 -18.517 -2.369 -0.399 123 1HB LYS 14 HB1 LYS 14 -20.451 -3.205 -1.372 124 2HB LYS 14 HB2 LYS 14 -19.396 -3.022 -2.764 125 1HG LYS 14 HG2 LYS 14 -18.864 -5.433 -2.636 126 2HG LYS 14 HG1 LYS 14 -20.013 -5.583 -1.307 127 1HD LYS 14 HD1 LYS 14 -21.822 -5.387 -2.664 128 2HD LYS 14 HD2 LYS 14 -21.001 -4.292 -3.779 129 1HE LYS 14 HE2 LYS 14 -21.289 -6.246 -5.019 130 2HE LYS 14 HE1 LYS 14 -19.617 -6.336 -4.464 131 1HZ LYS 14 HZ1 LYS 14 -20.604 -7.673 -2.530 132 2HZ LYS 14 HZ2 LYS 14 -20.444 -8.435 -4.031 133 3HZ LYS 14 HZ3 LYS 14 -21.956 -7.867 -3.528 134 H GLU 15 HN GLU 15 -17.499 -5.647 -1.267 135 HA GLU 15 HA GLU 15 -18.286 -6.729 1.307 136 1HB GLU 15 HB1 GLU 15 -17.196 -8.809 0.471 137 2HB GLU 15 HB2 GLU 15 -18.445 -8.195 -0.604 138 1HG GLU 15 HG1 GLU 15 -16.883 -7.431 -2.169 139 2HG GLU 15 HG2 GLU 15 -15.550 -7.547 -1.021 140 H LEU 16 HN LEU 16 -15.508 -5.357 -0.201 141 HA LEU 16 HA LEU 16 -13.660 -6.227 1.864 142 1HB LEU 16 HB2 LEU 16 -13.481 -5.230 -0.840 143 2HB LEU 16 HB1 LEU 16 -12.435 -4.306 0.220 144 HG LEU 16 HG LEU 16 -11.135 -6.189 0.769 145 1HD1 LEU 16 HD11 LEU 16 -13.522 -7.721 -0.117 146 2HD1 LEU 16 HD12 LEU 16 -12.490 -7.948 1.295 147 3HD1 LEU 16 HD13 LEU 16 -11.935 -8.470 -0.296 148 1HD2 LEU 16 HD21 LEU 16 -10.386 -5.583 -1.316 149 2HD2 LEU 16 HD22 LEU 16 -11.904 -6.015 -2.105 150 3HD2 LEU 16 HD23 LEU 16 -10.789 -7.279 -1.583 151 H SER 17 HN SER 17 -16.003 -4.239 2.196 152 HA SER 17 HA SER 17 -15.668 -1.684 2.430 153 1HB SER 17 HB1 SER 17 -16.483 -3.351 4.818 154 2HB SER 17 HB2 SER 17 -16.866 -1.647 4.575 155 HG SER 17 HG SER 17 -18.492 -3.312 3.933 156 H VAL 18 HN VAL 18 -13.595 -0.922 2.442 157 HA VAL 18 HA VAL 18 -11.717 -1.457 4.505 158 HB VAL 18 HB VAL 18 -10.416 0.390 3.585 159 1HG1 VAL 18 HG21 VAL 18 -11.529 -1.036 1.204 160 2HG1 VAL 18 HG22 VAL 18 -10.667 -1.931 2.455 161 3HG1 VAL 18 HG23 VAL 18 -9.856 -0.629 1.583 162 1HG2 VAL 18 HG11 VAL 18 -11.193 1.870 1.944 163 2HG2 VAL 18 HG12 VAL 18 -12.508 1.781 3.116 164 3HG2 VAL 18 HG13 VAL 18 -12.614 0.884 1.602 165 H GLU 19 HN GLU 19 -14.400 0.648 4.201 166 HA GLU 19 HA GLU 19 -13.852 2.800 5.800 167 1HB GLU 19 HB1 GLU 19 -16.319 2.564 6.498 168 2HB GLU 19 HB2 GLU 19 -15.972 2.730 4.781 169 1HG GLU 19 HG2 GLU 19 -15.918 -0.036 5.422 170 2HG GLU 19 HG1 GLU 19 -17.383 0.666 6.115 171 H LYS 20 HN LYS 20 -14.526 -0.504 6.740 172 HA LYS 20 HA LYS 20 -14.711 0.057 9.546 173 1HB LYS 20 HB2 LYS 20 -14.069 -2.695 8.627 174 2HB LYS 20 HB1 LYS 20 -15.245 -2.153 9.815 175 1HG LYS 20 HG2 LYS 20 -16.611 -1.287 7.860 176 2HG LYS 20 HG1 LYS 20 -15.514 -2.203 6.827 177 1HD LYS 20 HD2 LYS 20 -17.231 -3.322 9.039 178 2HD LYS 20 HD1 LYS 20 -17.508 -3.502 7.304 179 1HE LYS 20 HE1 LYS 20 -16.459 -5.483 7.726 180 2HE LYS 20 HE2 LYS 20 -15.056 -4.476 7.368 181 1HZ LYS 20 HZ1 LYS 20 -14.274 -5.000 9.355 182 2HZ LYS 20 HZ2 LYS 20 -15.684 -5.845 9.752 183 3HZ LYS 20 HZ3 LYS 20 -15.573 -4.189 10.076 184 H TRP 21 HN TRP 21 -12.144 -0.488 7.329 185 HA TRP 21 HA TRP 21 -10.259 -1.361 9.340 186 1HB TRP 21 HB2 TRP 21 -9.510 -0.424 6.580 187 2HB TRP 21 HB1 TRP 21 -8.704 -1.615 7.595 188 HD1 TRP 21 HD1 TRP 21 -12.051 -2.794 7.860 189 HE1 TRP 21 HE1 TRP 21 -12.650 -4.517 6.055 190 HE3 TRP 21 HE3 TRP 21 -8.209 -1.925 4.592 191 HZ2 TRP 21 HZ2 TRP 21 -11.626 -5.410 3.580 192 HZ3 TRP 21 HZ3 TRP 21 -8.091 -3.262 2.529 193 HH2 TRP 21 HH2 TRP 21 -9.768 -4.968 2.035 194 HA PRO 22 HA PRO 22 -8.778 2.558 10.722 195 1HB PRO 22 HB2 PRO 22 -6.043 2.095 10.635 196 2HB PRO 22 HB1 PRO 22 -7.105 1.658 11.973 197 1HG PRO 22 HG2 PRO 22 -6.054 -0.027 9.753 198 2HG PRO 22 HG1 PRO 22 -6.318 -0.449 11.452 199 1HD PRO 22 HD1 PRO 22 -8.002 -1.252 9.517 200 2HD PRO 22 HD2 PRO 22 -8.586 -0.813 11.137 201 H ILE 23 HN ILE 23 -7.655 4.453 10.033 202 HA ILE 23 HA ILE 23 -6.983 4.440 7.162 203 HB ILE 23 HB ILE 23 -7.919 6.853 8.703 204 1HG1 ILE 23 HG12 ILE 23 -9.636 5.026 8.723 205 2HG1 ILE 23 HG11 ILE 23 -10.151 6.477 7.868 206 1HG2 ILE 23 HG21 ILE 23 -7.149 6.270 5.932 207 2HG2 ILE 23 HG22 ILE 23 -7.126 7.791 6.825 208 3HG2 ILE 23 HG23 ILE 23 -8.631 7.211 6.111 209 1HD1 ILE 23 HD11 ILE 23 -10.834 4.555 6.626 210 2HD1 ILE 23 HD12 ILE 23 -9.196 3.901 6.650 211 3HD1 ILE 23 HD13 ILE 23 -9.546 5.370 5.739 212 H TRP 24 HN TRP 24 -5.197 5.651 6.464 213 HA TRP 24 HA TRP 24 -3.405 6.576 8.609 214 1HB TRP 24 HB1 TRP 24 -2.870 4.327 7.387 215 2HB TRP 24 HB2 TRP 24 -2.323 5.376 6.082 216 HD1 TRP 24 HD1 TRP 24 -1.768 5.862 9.889 217 HE1 TRP 24 HE1 TRP 24 0.766 6.020 10.308 218 HE3 TRP 24 HE3 TRP 24 -0.102 4.990 5.134 219 HZ2 TRP 24 HZ2 TRP 24 3.155 5.804 8.821 220 HZ3 TRP 24 HZ3 TRP 24 2.323 4.983 4.718 221 HH2 TRP 24 HH2 TRP 24 3.917 5.381 6.524 222 H GLU 25 HN GLU 25 -2.023 8.289 8.140 223 HA GLU 25 HA GLU 25 -2.508 9.707 5.611 224 1HB GLU 25 HB1 GLU 25 -2.468 10.906 8.386 225 2HB GLU 25 HB2 GLU 25 -2.399 11.855 6.908 226 1HG GLU 25 HG2 GLU 25 -4.603 11.877 6.841 227 2HG GLU 25 HG1 GLU 25 -4.606 10.123 6.663 228 H LYS 26 HN LYS 26 -0.681 10.285 4.595 229 HA LYS 26 HA LYS 26 1.776 10.567 6.169 230 1HB LYS 26 HB1 LYS 26 1.768 8.277 5.333 231 2HB LYS 26 HB2 LYS 26 1.491 8.853 3.696 232 1HG LYS 26 HG2 LYS 26 3.785 8.298 3.865 233 2HG LYS 26 HG1 LYS 26 3.681 10.059 3.845 234 1HD LYS 26 HD2 LYS 26 3.853 10.062 6.311 235 2HD LYS 26 HD1 LYS 26 4.058 8.309 6.273 236 1HE LYS 26 HE2 LYS 26 6.208 8.461 5.676 237 2HE LYS 26 HE1 LYS 26 5.876 9.716 4.483 238 1HZ LYS 26 HZ1 LYS 26 6.481 11.310 5.897 239 2HZ LYS 26 HZ2 LYS 26 7.195 10.082 6.815 240 3HZ LYS 26 HZ3 LYS 26 5.641 10.628 7.197 241 H GLU 27 HN GLU 27 3.276 11.967 5.380 242 HA GLU 27 HA GLU 27 2.350 13.812 3.324 243 1HB GLU 27 HB1 GLU 27 4.109 15.287 4.105 244 2HB GLU 27 HB2 GLU 27 3.205 14.686 5.489 245 1HG GLU 27 HG1 GLU 27 4.944 13.149 6.045 246 2HG GLU 27 HG2 GLU 27 5.808 13.508 4.552 247 H VAL 28 HN VAL 28 3.802 14.583 1.693 248 HA VAL 28 HA VAL 28 4.785 12.503 0.118 249 HB VAL 28 HB VAL 28 5.427 14.167 -1.441 250 1HG1 VAL 28 HG21 VAL 28 3.118 15.373 0.043 251 2HG1 VAL 28 HG22 VAL 28 2.995 13.878 -0.882 252 3HG1 VAL 28 HG23 VAL 28 3.423 15.382 -1.695 253 1HG2 VAL 28 HG11 VAL 28 6.721 15.792 -0.519 254 2HG2 VAL 28 HG12 VAL 28 5.757 15.868 0.956 255 3HG2 VAL 28 HG13 VAL 28 5.186 16.660 -0.514 256 H SER 29 HN SER 29 6.285 12.051 2.423 257 HA SER 29 HA SER 29 8.963 13.088 1.889 258 1HB SER 29 HB2 SER 29 9.566 12.421 4.059 259 2HB SER 29 HB1 SER 29 7.906 12.984 4.252 260 HG SER 29 HG SER 29 8.496 10.873 5.217 261 H GLU 30 HN GLU 30 10.395 10.905 2.948 262 HA GLU 30 HA GLU 30 9.678 8.572 1.370 263 1HB GLU 30 HB1 GLU 30 12.403 9.840 1.054 264 2HB GLU 30 HB2 GLU 30 11.790 8.419 0.218 265 1HG GLU 30 HG1 GLU 30 11.485 9.954 -1.415 266 2HG GLU 30 HG2 GLU 30 9.943 10.133 -0.579 267 H PHE 31 HN PHE 31 10.001 6.815 2.573 268 HA PHE 31 HA PHE 31 12.041 6.931 4.693 269 1HB PHE 31 HB2 PHE 31 10.442 5.401 5.986 270 2HB PHE 31 HB1 PHE 31 10.009 7.104 5.866 271 HD1 PHE 31 HD1 PHE 31 8.912 3.779 5.393 272 HD2 PHE 31 HD2 PHE 31 8.392 7.749 3.957 273 HE1 PHE 31 HE1 PHE 31 6.726 3.149 4.456 274 HE2 PHE 31 HE2 PHE 31 6.205 7.129 3.018 275 HZ PHE 31 HZ PHE 31 5.365 4.831 3.270 276 H ASP 32 HN ASP 32 13.094 5.023 5.245 277 HA ASP 32 HA ASP 32 12.927 2.885 3.227 278 1HB ASP 32 HB2 ASP 32 15.217 2.259 4.304 279 2HB ASP 32 HB1 ASP 32 15.145 3.628 3.199 280 H TRP 33 HN TRP 33 11.292 1.642 4.098 281 HA TRP 33 HA TRP 33 11.698 0.686 6.846 282 1HB TRP 33 HB2 TRP 33 9.689 1.893 6.831 283 2HB TRP 33 HB1 TRP 33 9.225 1.284 5.249 284 HD1 TRP 33 HD1 TRP 33 9.459 0.057 8.915 285 HE1 TRP 33 HE1 TRP 33 7.692 -1.789 9.236 286 HE3 TRP 33 HE3 TRP 33 7.788 -0.305 4.104 287 HZ2 TRP 33 HZ2 TRP 33 5.834 -3.213 7.651 288 HZ3 TRP 33 HZ3 TRP 33 6.016 -1.929 3.585 289 HH2 TRP 33 HH2 TRP 33 5.062 -3.355 5.320 290 H TYR 34 HN TYR 34 11.189 -1.443 7.391 291 HA TYR 34 HA TYR 34 11.335 -3.359 5.156 292 1HB TYR 34 HB2 TYR 34 13.339 -3.626 6.372 293 2HB TYR 34 HB1 TYR 34 12.539 -3.393 7.920 294 HD1 TYR 34 HD1 TYR 34 12.912 -5.787 5.109 295 HD2 TYR 34 HD2 TYR 34 11.776 -5.231 9.169 296 HE1 TYR 34 HE1 TYR 34 12.772 -8.225 5.397 297 HE2 TYR 34 HE2 TYR 34 11.630 -7.667 9.468 298 HH TYR 34 HH TYR 34 12.545 -9.708 8.432 299 H TYR 35 HN TYR 35 9.889 -5.079 5.146 300 HA TYR 35 HA TYR 35 7.456 -4.656 6.556 301 1HB TYR 35 HB2 TYR 35 8.367 -6.274 4.356 302 2HB TYR 35 HB1 TYR 35 7.396 -7.235 5.460 303 HD1 TYR 35 HD1 TYR 35 7.392 -4.351 3.220 304 HD2 TYR 35 HD2 TYR 35 5.045 -6.849 5.732 305 HE1 TYR 35 HE1 TYR 35 5.358 -3.403 2.245 306 HE2 TYR 35 HE2 TYR 35 2.992 -5.907 4.761 307 HH TYR 35 HH TYR 35 2.772 -4.423 2.011 308 H ASP 36 HN ASP 36 6.352 -6.790 7.428 309 HA ASP 36 HA ASP 36 7.880 -8.658 8.865 310 1HB ASP 36 HB2 ASP 36 8.328 -6.424 10.110 311 2HB ASP 36 HB1 ASP 36 6.686 -6.611 10.716 312 H THR 37 HN THR 37 5.494 -8.498 7.235 313 HA THR 37 HA THR 37 3.874 -10.390 8.317 314 HB THR 37 HB THR 37 3.085 -9.197 10.141 315 HG1 THR 37 HG1 THR 37 0.979 -8.573 9.644 316 1HG2 THR 37 HG21 THR 37 2.214 -6.682 9.238 317 2HG2 THR 37 HG22 THR 37 3.875 -6.890 8.684 318 3HG2 THR 37 HG23 THR 37 3.492 -7.047 10.398 319 H ASN 38 HN ASN 38 1.840 -10.697 7.169 320 HA ASN 38 HA ASN 38 2.004 -9.785 4.448 321 1HB ASN 38 HB2 ASN 38 0.090 -11.566 5.951 322 2HB ASN 38 HB1 ASN 38 -0.218 -11.084 4.284 323 1HD2 ASN 38 HD21 ASN 38 2.114 -11.214 3.057 324 2HD2 ASN 38 HD22 ASN 38 2.786 -12.805 3.128 325 H GLU 39 HN GLU 39 1.433 -7.735 4.012 326 HA GLU 39 HA GLU 39 -0.919 -6.637 5.397 327 1HB GLU 39 HB1 GLU 39 1.135 -5.399 5.814 328 2HB GLU 39 HB2 GLU 39 1.398 -5.215 4.086 329 1HG GLU 39 HG2 GLU 39 -0.115 -3.557 3.878 330 2HG GLU 39 HG1 GLU 39 -1.167 -4.207 5.136 331 H THR 40 HN THR 40 -2.481 -5.525 4.332 332 HA THR 40 HA THR 40 -2.402 -5.354 1.422 333 HB THR 40 HB THR 40 -4.501 -6.808 3.026 334 HG1 THR 40 HG1 THR 40 -2.970 -8.135 2.158 335 1HG2 THR 40 HG21 THR 40 -4.855 -5.949 0.170 336 2HG2 THR 40 HG22 THR 40 -5.649 -5.179 1.543 337 3HG2 THR 40 HG23 THR 40 -5.983 -6.869 1.166 338 H CYS 41 HN CYS 41 -2.770 -3.268 0.980 339 HA CYS 41 HA CYS 41 -4.602 -1.780 2.739 340 1HB CYS 41 HB2 CYS 41 -3.031 0.213 2.134 341 2HB CYS 41 HB1 CYS 41 -2.553 -0.914 3.400 342 HG CYS 41 HG CYS 41 -1.366 -1.128 0.533 343 H TYR 42 HN TYR 42 -5.568 0.096 1.804 344 HA TYR 42 HA TYR 42 -5.753 0.048 -1.130 345 1HB TYR 42 HB1 TYR 42 -7.789 -0.908 -0.620 346 2HB TYR 42 HB2 TYR 42 -7.874 -0.126 0.953 347 HD1 TYR 42 HD1 TYR 42 -8.937 1.999 1.230 348 HD2 TYR 42 HD2 TYR 42 -8.537 0.291 -2.645 349 HE1 TYR 42 HE1 TYR 42 -10.542 3.639 0.351 350 HE2 TYR 42 HE2 TYR 42 -10.142 1.929 -3.537 351 HH TYR 42 HH TYR 42 -12.130 3.347 -2.437 352 H ILE 43 HN ILE 43 -5.280 1.956 -2.014 353 HA ILE 43 HA ILE 43 -4.853 4.256 -0.329 354 HB ILE 43 HB ILE 43 -4.641 4.053 -3.332 355 1HG1 ILE 43 HG12 ILE 43 -2.136 4.334 -1.965 356 2HG1 ILE 43 HG11 ILE 43 -3.006 2.955 -1.296 357 1HG2 ILE 43 HG21 ILE 43 -3.727 6.174 -1.399 358 2HG2 ILE 43 HG22 ILE 43 -4.920 6.341 -2.686 359 3HG2 ILE 43 HG23 ILE 43 -3.222 6.083 -3.086 360 1HD1 ILE 43 HD11 ILE 43 -3.347 2.531 -3.932 361 2HD1 ILE 43 HD12 ILE 43 -2.022 1.862 -2.978 362 3HD1 ILE 43 HD13 ILE 43 -1.776 3.331 -3.926 363 H LEU 44 HN LEU 44 -5.904 6.190 -0.355 364 HA LEU 44 HA LEU 44 -8.524 6.241 -1.698 365 1HB LEU 44 HB2 LEU 44 -8.801 6.116 0.689 366 2HB LEU 44 HB1 LEU 44 -7.652 7.416 0.940 367 HG LEU 44 HG LEU 44 -9.304 8.895 -0.350 368 1HD1 LEU 44 HD21 LEU 44 -10.786 6.358 -0.180 369 2HD1 LEU 44 HD22 LEU 44 -10.927 7.685 -1.335 370 3HD1 LEU 44 HD23 LEU 44 -11.697 7.806 0.247 371 1HD2 LEU 44 HD11 LEU 44 -10.147 9.618 1.627 372 2HD2 LEU 44 HD12 LEU 44 -8.909 8.531 2.257 373 3HD2 LEU 44 HD13 LEU 44 -10.587 7.995 2.161 374 H GLU 45 HN GLU 45 -5.498 7.828 -1.262 375 HA GLU 45 HA GLU 45 -5.782 9.555 -3.410 376 1HB GLU 45 HB2 GLU 45 -6.004 11.743 -2.282 377 2HB GLU 45 HB1 GLU 45 -7.444 10.752 -2.097 378 1HG GLU 45 HG1 GLU 45 -6.098 10.061 0.132 379 2HG GLU 45 HG2 GLU 45 -5.535 11.719 -0.081 380 H GLY 46 HN GLY 46 -3.679 9.275 -3.938 381 1HA GLY 46 HA2 GLY 46 -1.627 10.757 -2.984 382 2HA GLY 46 HA1 GLY 46 -1.603 9.355 -1.926 383 H LYS 47 HN LYS 47 0.601 9.878 -3.423 384 HA LYS 47 HA LYS 47 0.556 7.650 -5.334 385 1HB LYS 47 HB1 LYS 47 0.743 10.333 -6.087 386 2HB LYS 47 HB2 LYS 47 2.394 9.736 -6.159 387 1HG LYS 47 HG1 LYS 47 0.945 7.739 -7.379 388 2HG LYS 47 HG2 LYS 47 0.147 9.219 -7.915 389 1HD LYS 47 HD2 LYS 47 1.788 8.988 -9.515 390 2HD LYS 47 HD1 LYS 47 2.597 10.031 -8.343 391 1HE LYS 47 HE1 LYS 47 4.236 8.481 -8.618 392 2HE LYS 47 HE2 LYS 47 3.324 7.688 -7.334 393 1HZ LYS 47 HZ1 LYS 47 3.479 7.019 -10.187 394 2HZ LYS 47 HZ2 LYS 47 2.065 6.641 -9.339 395 3HZ LYS 47 HZ3 LYS 47 3.549 6.000 -8.840 396 H VAL 48 HN VAL 48 2.099 6.218 -4.938 397 HA VAL 48 HA VAL 48 4.587 7.129 -3.667 398 HB VAL 48 HB VAL 48 2.815 4.880 -2.741 399 1HG1 VAL 48 HG21 VAL 48 5.785 5.103 -2.451 400 2HG1 VAL 48 HG22 VAL 48 4.790 3.676 -2.743 401 3HG1 VAL 48 HG23 VAL 48 4.825 4.414 -1.141 402 1HG2 VAL 48 HG11 VAL 48 3.882 7.409 -1.642 403 2HG2 VAL 48 HG12 VAL 48 3.717 6.054 -0.527 404 3HG2 VAL 48 HG13 VAL 48 2.309 6.644 -1.411 405 H GLU 49 HN GLU 49 6.381 6.366 -4.558 406 HA GLU 49 HA GLU 49 6.151 4.184 -6.520 407 1HB GLU 49 HB1 GLU 49 8.236 6.371 -6.384 408 2HB GLU 49 HB2 GLU 49 8.134 5.117 -7.610 409 1HG GLU 49 HG1 GLU 49 5.891 6.027 -8.230 410 2HG GLU 49 HG2 GLU 49 6.204 7.370 -7.131 411 H VAL 50 HN VAL 50 6.812 2.336 -5.648 412 HA VAL 50 HA VAL 50 8.865 2.387 -3.567 413 HB VAL 50 HB VAL 50 6.939 0.208 -4.387 414 1HG1 VAL 50 HG11 VAL 50 8.799 -0.952 -3.564 415 2HG1 VAL 50 HG12 VAL 50 7.714 -0.821 -2.179 416 3HG1 VAL 50 HG13 VAL 50 9.109 0.251 -2.310 417 1HG2 VAL 50 HG21 VAL 50 6.034 2.252 -3.212 418 2HG2 VAL 50 HG22 VAL 50 7.002 1.774 -1.818 419 3HG2 VAL 50 HG23 VAL 50 5.729 0.709 -2.415 420 H THR 51 HN THR 51 10.794 1.437 -3.737 421 HA THR 51 HA THR 51 11.349 -0.229 -6.092 422 HB THR 51 HB THR 51 13.284 1.777 -4.919 423 HG1 THR 51 HG1 THR 51 12.533 3.178 -6.280 424 1HG2 THR 51 HG21 THR 51 13.560 -0.341 -6.890 425 2HG2 THR 51 HG22 THR 51 14.791 0.571 -6.015 426 3HG2 THR 51 HG23 THR 51 14.071 1.241 -7.480 427 H THR 52 HN THR 52 11.795 -2.210 -5.378 428 HA THR 52 HA THR 52 12.722 -2.604 -2.661 429 HB THR 52 HB THR 52 12.102 -4.842 -2.901 430 HG1 THR 52 HG1 THR 52 12.806 -5.837 -4.593 431 1HG2 THR 52 HG21 THR 52 9.931 -4.814 -3.535 432 2HG2 THR 52 HG22 THR 52 10.254 -3.913 -5.015 433 3HG2 THR 52 HG23 THR 52 10.224 -3.077 -3.463 434 H GLU 53 HN GLU 53 14.596 -3.706 -2.055 435 HA GLU 53 HA GLU 53 16.921 -3.084 -3.481 436 1HB GLU 53 HB2 GLU 53 18.010 -4.755 -1.906 437 2HB GLU 53 HB1 GLU 53 17.133 -3.433 -1.149 438 1HG GLU 53 HG1 GLU 53 15.379 -4.811 -0.489 439 2HG GLU 53 HG2 GLU 53 15.821 -6.078 -1.633 440 H ASP 54 HN ASP 54 14.972 -6.016 -3.382 441 HA ASP 54 HA ASP 54 16.647 -7.794 -4.684 442 1HB ASP 54 HB2 ASP 54 14.347 -8.242 -3.682 443 2HB ASP 54 HB1 ASP 54 13.674 -7.625 -5.187 444 H GLY 55 HN GLY 55 14.792 -5.124 -5.946 445 1HA GLY 55 HA2 GLY 55 15.772 -4.101 -7.976 446 2HA GLY 55 HA1 GLY 55 15.856 -5.727 -8.636 447 H LYS 56 HN LYS 56 13.067 -4.968 -6.778 448 HA LYS 56 HA LYS 56 11.470 -4.957 -9.232 449 1HB LYS 56 HB1 LYS 56 10.293 -5.180 -6.485 450 2HB LYS 56 HB2 LYS 56 9.701 -5.833 -8.004 451 1HG LYS 56 HG1 LYS 56 12.153 -7.081 -7.611 452 2HG LYS 56 HG2 LYS 56 11.392 -7.048 -6.018 453 1HD LYS 56 HD1 LYS 56 10.212 -8.827 -6.653 454 2HD LYS 56 HD2 LYS 56 9.344 -7.759 -7.758 455 1HE LYS 56 HE2 LYS 56 10.125 -9.578 -9.056 456 2HE LYS 56 HE1 LYS 56 11.159 -8.203 -9.442 457 1HZ LYS 56 HZ1 LYS 56 12.111 -9.849 -7.268 458 2HZ LYS 56 HZ2 LYS 56 12.949 -9.211 -8.592 459 3HZ LYS 56 HZ3 LYS 56 12.057 -10.637 -8.764 460 H LYS 57 HN LYS 57 9.270 -3.702 -8.791 461 HA LYS 57 HA LYS 57 9.611 -1.231 -7.357 462 1HB LYS 57 HB1 LYS 57 10.654 -1.172 -9.839 463 2HB LYS 57 HB2 LYS 57 8.985 -0.773 -10.219 464 1HG LYS 57 HG1 LYS 57 9.045 1.203 -9.001 465 2HG LYS 57 HG2 LYS 57 10.454 0.694 -8.066 466 1HD LYS 57 HD1 LYS 57 10.642 1.068 -11.033 467 2HD LYS 57 HD2 LYS 57 10.761 2.450 -9.943 468 1HE LYS 57 HE2 LYS 57 12.678 1.555 -8.872 469 2HE LYS 57 HE1 LYS 57 12.464 -0.012 -9.653 470 1HZ LYS 57 HZ1 LYS 57 14.019 0.823 -11.031 471 2HZ LYS 57 HZ2 LYS 57 13.637 2.436 -10.695 472 3HZ LYS 57 HZ3 LYS 57 12.689 1.551 -11.781 473 H TYR 58 HN TYR 58 7.690 -0.499 -6.665 474 HA TYR 58 HA TYR 58 5.274 -1.518 -8.006 475 1HB TYR 58 HB2 TYR 58 5.321 -0.955 -5.060 476 2HB TYR 58 HB1 TYR 58 4.246 -2.010 -5.973 477 HD1 TYR 58 HD1 TYR 58 5.867 -3.838 -7.382 478 HD2 TYR 58 HD2 TYR 58 6.572 -2.146 -3.543 479 HE1 TYR 58 HE1 TYR 58 7.261 -5.777 -6.790 480 HE2 TYR 58 HE2 TYR 58 7.968 -4.078 -2.940 481 HH TYR 58 HH TYR 58 9.182 -5.846 -3.904 482 H VAL 59 HN VAL 59 4.019 0.023 -8.777 483 HA VAL 59 HA VAL 59 4.157 2.704 -7.562 484 HB VAL 59 HB VAL 59 3.417 3.617 -9.705 485 1HG1 VAL 59 HG11 VAL 59 5.921 2.100 -9.398 486 2HG1 VAL 59 HG12 VAL 59 5.662 3.803 -9.782 487 3HG1 VAL 59 HG13 VAL 59 5.516 2.581 -11.047 488 1HG2 VAL 59 HG21 VAL 59 2.259 2.243 -11.031 489 2HG2 VAL 59 HG22 VAL 59 2.962 0.802 -10.297 490 3HG2 VAL 59 HG23 VAL 59 3.826 1.650 -11.579 491 H ILE 60 HN ILE 60 2.437 3.152 -6.364 492 HA ILE 60 HA ILE 60 -0.186 2.144 -7.244 493 HB ILE 60 HB ILE 60 -0.805 1.924 -4.851 494 1HG1 ILE 60 HG11 ILE 60 1.975 1.729 -3.946 495 2HG1 ILE 60 HG12 ILE 60 1.507 3.368 -4.389 496 1HG2 ILE 60 HG21 ILE 60 0.890 -0.074 -4.499 497 2HG2 ILE 60 HG22 ILE 60 1.272 0.283 -6.183 498 3HG2 ILE 60 HG23 ILE 60 -0.379 -0.132 -5.723 499 1HD1 ILE 60 HD11 ILE 60 1.201 2.715 -1.973 500 2HD1 ILE 60 HD12 ILE 60 -0.119 1.680 -2.519 501 3HD1 ILE 60 HD13 ILE 60 -0.201 3.423 -2.777 502 H GLU 61 HN GLU 61 -1.705 3.653 -7.469 503 HA GLU 61 HA GLU 61 -1.476 6.144 -5.953 504 1HB GLU 61 HB2 GLU 61 -0.425 6.579 -8.119 505 2HB GLU 61 HB1 GLU 61 -1.862 5.997 -8.948 506 1HG GLU 61 HG1 GLU 61 -3.159 7.821 -7.924 507 2HG GLU 61 HG2 GLU 61 -1.677 8.424 -7.184 508 H LYS 62 HN LYS 62 -3.325 7.221 -5.558 509 HA LYS 62 HA LYS 62 -5.529 6.875 -4.688 510 1HB LYS 62 HB1 LYS 62 -5.338 8.850 -6.076 511 2HB LYS 62 HB2 LYS 62 -5.630 7.898 -7.524 512 1HG LYS 62 HG1 LYS 62 -7.580 9.235 -6.709 513 2HG LYS 62 HG2 LYS 62 -7.888 7.511 -6.927 514 1HD LYS 62 HD1 LYS 62 -6.945 8.132 -4.250 515 2HD LYS 62 HD2 LYS 62 -8.425 9.001 -4.658 516 1HE LYS 62 HE1 LYS 62 -8.648 6.302 -5.561 517 2HE LYS 62 HE2 LYS 62 -8.145 6.306 -3.870 518 1HZ LYS 62 HZ1 LYS 62 -10.037 7.510 -3.244 519 2HZ LYS 62 HZ2 LYS 62 -10.615 6.341 -4.323 520 3HZ LYS 62 HZ3 LYS 62 -10.414 7.941 -4.835 521 H GLY 63 HN GLY 63 -6.672 5.110 -4.301 522 1HA GLY 63 HA1 GLY 63 -8.269 3.488 -4.681 523 2HA GLY 63 HA2 GLY 63 -8.340 4.009 -6.356 524 H ASP 64 HN ASP 64 -5.440 2.945 -4.685 525 HA ASP 64 HA ASP 64 -5.425 0.536 -6.376 526 1HB ASP 64 HB1 ASP 64 -3.664 2.623 -6.608 527 2HB ASP 64 HB2 ASP 64 -2.798 1.545 -5.517 528 H LEU 65 HN LEU 65 -4.513 -1.339 -5.488 529 HA LEU 65 HA LEU 65 -3.836 -1.263 -2.655 530 1HB LEU 65 HB2 LEU 65 -5.380 -2.796 -1.938 531 2HB LEU 65 HB1 LEU 65 -6.301 -1.818 -3.055 532 HG LEU 65 HG LEU 65 -5.214 -4.571 -3.563 533 1HD1 LEU 65 HD21 LEU 65 -7.188 -5.299 -2.860 534 2HD1 LEU 65 HD22 LEU 65 -8.020 -4.214 -3.976 535 3HD1 LEU 65 HD23 LEU 65 -7.577 -3.649 -2.363 536 1HD2 LEU 65 HD11 LEU 65 -5.152 -3.973 -5.703 537 2HD2 LEU 65 HD12 LEU 65 -6.023 -2.476 -5.388 538 3HD2 LEU 65 HD13 LEU 65 -6.915 -3.976 -5.615 539 H VAL 66 HN VAL 66 -2.254 -2.678 -2.079 540 HA VAL 66 HA VAL 66 -1.347 -4.589 -4.128 541 HB VAL 66 HB VAL 66 0.368 -2.677 -2.542 542 1HG1 VAL 66 HG21 VAL 66 1.203 -4.897 -4.409 543 2HG1 VAL 66 HG22 VAL 66 1.505 -4.814 -2.674 544 3HG1 VAL 66 HG23 VAL 66 2.277 -3.658 -3.758 545 1HG2 VAL 66 HG11 VAL 66 -0.350 -2.929 -5.442 546 2HG2 VAL 66 HG12 VAL 66 1.056 -2.018 -4.896 547 3HG2 VAL 66 HG13 VAL 66 -0.561 -1.542 -4.375 548 H THR 67 HN THR 67 -0.128 -6.373 -3.416 549 HA THR 67 HA THR 67 -0.673 -7.124 -0.624 550 HB THR 67 HB THR 67 -0.166 -8.761 -3.114 551 HG1 THR 67 HG1 THR 67 -2.282 -8.928 -1.246 552 1HG2 THR 67 HG21 THR 67 -0.007 -9.626 -0.265 553 2HG2 THR 67 HG22 THR 67 0.995 -10.089 -1.640 554 3HG2 THR 67 HG23 THR 67 -0.644 -10.721 -1.493 555 H PHE 68 HN PHE 68 1.019 -7.873 0.694 556 HA PHE 68 HA PHE 68 3.717 -7.695 -0.433 557 1HB PHE 68 HB2 PHE 68 2.948 -6.369 2.170 558 2HB PHE 68 HB1 PHE 68 4.508 -6.294 1.355 559 HD1 PHE 68 HD1 PHE 68 0.985 -5.226 1.164 560 HD2 PHE 68 HD2 PHE 68 4.924 -4.733 -0.367 561 HE1 PHE 68 HE1 PHE 68 0.263 -3.196 -0.025 562 HE2 PHE 68 HE2 PHE 68 4.211 -2.702 -1.560 563 HZ PHE 68 HZ PHE 68 1.873 -1.937 -1.396 564 HA PRO 69 HA PRO 69 4.228 -11.277 2.148 565 1HB PRO 69 HB1 PRO 69 6.692 -11.936 1.403 566 2HB PRO 69 HB2 PRO 69 5.365 -11.976 0.239 567 1HG PRO 69 HG1 PRO 69 7.516 -9.937 0.594 568 2HG PRO 69 HG2 PRO 69 6.794 -10.556 -0.902 569 1HD PRO 69 HD2 PRO 69 6.111 -8.165 0.383 570 2HD PRO 69 HD1 PRO 69 5.152 -8.987 -0.862 571 H LYS 70 HN LYS 70 5.123 -11.857 4.104 572 HA LYS 70 HA LYS 70 6.205 -9.854 5.751 573 1HB LYS 70 HB1 LYS 70 4.960 -11.846 6.574 574 2HB LYS 70 HB2 LYS 70 6.350 -12.845 6.169 575 1HG LYS 70 HG1 LYS 70 7.694 -11.807 7.815 576 2HG LYS 70 HG2 LYS 70 6.511 -10.525 8.070 577 1HD LYS 70 HD1 LYS 70 6.026 -11.855 9.862 578 2HD LYS 70 HD2 LYS 70 4.949 -12.573 8.661 579 1HE LYS 70 HE2 LYS 70 6.036 -14.514 8.721 580 2HE LYS 70 HE1 LYS 70 7.601 -13.719 8.540 581 1HZ LYS 70 HZ1 LYS 70 7.080 -15.046 10.680 582 2HZ LYS 70 HZ2 LYS 70 6.228 -13.660 11.142 583 3HZ LYS 70 HZ3 LYS 70 7.881 -13.561 10.803 584 H GLY 71 HN GLY 71 8.078 -8.944 5.202 585 1HA GLY 71 HA2 GLY 71 10.511 -9.410 5.787 586 2HA GLY 71 HA1 GLY 71 10.372 -10.688 4.591 587 H LEU 72 HN LEU 72 8.479 -8.505 3.243 588 HA LEU 72 HA LEU 72 10.273 -7.764 1.245 589 1HB LEU 72 HB2 LEU 72 7.999 -7.787 0.689 590 2HB LEU 72 HB1 LEU 72 7.556 -6.787 2.055 591 HG LEU 72 HG LEU 72 8.185 -4.814 0.987 592 1HD1 LEU 72 HD11 LEU 72 9.411 -5.249 -1.397 593 2HD1 LEU 72 HD12 LEU 72 10.102 -6.538 -0.411 594 3HD1 LEU 72 HD13 LEU 72 10.247 -4.858 0.106 595 1HD2 LEU 72 HD21 LEU 72 6.280 -6.221 -0.107 596 2HD2 LEU 72 HD22 LEU 72 7.402 -6.321 -1.464 597 3HD2 LEU 72 HD23 LEU 72 6.855 -4.747 -0.886 598 H ARG 73 HN ARG 73 12.027 -6.555 1.577 599 HA ARG 73 HA ARG 73 11.806 -4.135 3.232 600 1HB ARG 73 HB1 ARG 73 13.707 -6.018 3.358 601 2HB ARG 73 HB2 ARG 73 14.420 -5.007 2.109 602 1HG ARG 73 HG1 ARG 73 13.472 -3.431 4.340 603 2HG ARG 73 HG2 ARG 73 14.632 -4.661 4.845 604 1HD ARG 73 HD2 ARG 73 16.019 -2.899 4.310 605 2HD ARG 73 HD1 ARG 73 16.010 -3.821 2.808 606 HE ARG 73 HE ARG 73 13.994 -1.780 2.903 607 1HH1 ARG 73 HH21 ARG 73 17.330 -2.467 2.180 608 2HH1 ARG 73 HH22 ARG 73 17.504 -1.132 1.091 609 1HH2 ARG 73 HH12 ARG 73 14.212 -0.017 1.471 610 2HH2 ARG 73 HH11 ARG 73 15.732 0.262 0.688 611 H CYS 74 HN CYS 74 11.381 -2.304 2.156 612 HA CYS 74 HA CYS 74 12.807 -1.740 -0.311 613 1HB CYS 74 HB2 CYS 74 10.679 -1.127 -1.500 614 2HB CYS 74 HB1 CYS 74 10.898 -2.853 -1.232 615 HG CYS 74 HG CYS 74 9.208 -1.749 0.967 616 H ARG 75 HN ARG 75 12.540 0.474 -1.044 617 HA ARG 75 HA ARG 75 12.293 2.293 1.209 618 1HB ARG 75 HB1 ARG 75 14.230 2.610 -0.167 619 2HB ARG 75 HB2 ARG 75 13.259 2.643 -1.632 620 1HG ARG 75 HG2 ARG 75 13.854 4.870 -1.221 621 2HG ARG 75 HG1 ARG 75 12.174 4.733 -0.700 622 1HD ARG 75 HD2 ARG 75 13.064 5.859 1.082 623 2HD ARG 75 HD1 ARG 75 13.272 4.193 1.621 624 HE ARG 75 HE ARG 75 15.541 4.462 1.477 625 1HH1 ARG 75 HH12 ARG 75 13.970 7.059 -0.231 626 2HH1 ARG 75 HH11 ARG 75 15.433 7.950 -0.483 627 1HH2 ARG 75 HH22 ARG 75 17.473 5.629 1.150 628 2HH2 ARG 75 HH21 ARG 75 17.425 7.138 0.302 629 H TRP 76 HN TRP 76 10.825 3.975 1.345 630 HA TRP 76 HA TRP 76 8.575 3.834 -0.552 631 1HB TRP 76 HB1 TRP 76 8.662 4.469 2.393 632 2HB TRP 76 HB2 TRP 76 7.278 4.893 1.392 633 HD1 TRP 76 HD1 TRP 76 9.339 1.637 1.958 634 HE1 TRP 76 HE1 TRP 76 7.672 -0.312 2.169 635 HE3 TRP 76 HE3 TRP 76 4.976 4.230 1.343 636 HZ2 TRP 76 HZ2 TRP 76 4.879 -0.699 2.091 637 HZ3 TRP 76 HZ3 TRP 76 2.849 2.995 1.424 638 HH2 TRP 76 HH2 TRP 76 2.803 0.582 1.789 639 H LYS 77 HN LYS 77 7.689 5.724 -1.363 640 HA LYS 77 HA LYS 77 8.813 8.284 -0.555 641 1HB LYS 77 HB1 LYS 77 8.840 7.918 -3.484 642 2HB LYS 77 HB2 LYS 77 9.960 8.790 -2.447 643 1HG LYS 77 HG2 LYS 77 11.020 6.696 -1.811 644 2HG LYS 77 HG1 LYS 77 9.876 5.805 -2.818 645 1HD LYS 77 HD2 LYS 77 11.851 7.870 -3.798 646 2HD LYS 77 HD1 LYS 77 12.041 6.121 -3.941 647 1HE LYS 77 HE1 LYS 77 11.115 6.449 -5.967 648 2HE LYS 77 HE2 LYS 77 9.612 6.426 -5.048 649 1HZ LYS 77 HZ1 LYS 77 9.220 8.454 -5.802 650 2HZ LYS 77 HZ2 LYS 77 10.738 8.541 -6.543 651 3HZ LYS 77 HZ3 LYS 77 10.555 9.022 -4.932 652 H VAL 78 HN VAL 78 7.140 9.577 -0.306 653 HA VAL 78 HA VAL 78 4.740 9.133 -1.931 654 HB VAL 78 HB VAL 78 5.090 10.679 0.640 655 1HG1 VAL 78 HG11 VAL 78 3.142 11.059 -1.310 656 2HG1 VAL 78 HG12 VAL 78 3.070 11.584 0.372 657 3HG1 VAL 78 HG13 VAL 78 2.369 10.038 -0.102 658 1HG2 VAL 78 HG21 VAL 78 5.140 8.076 0.544 659 2HG2 VAL 78 HG22 VAL 78 3.399 8.243 0.319 660 3HG2 VAL 78 HG23 VAL 78 4.167 8.897 1.766 661 H LEU 79 HN LEU 79 4.350 10.434 -3.569 662 HA LEU 79 HA LEU 79 5.861 12.884 -3.910 663 1HB LEU 79 HB2 LEU 79 3.803 11.545 -5.673 664 2HB LEU 79 HB1 LEU 79 4.721 12.970 -6.116 665 HG LEU 79 HG LEU 79 6.804 11.660 -6.012 666 1HD1 LEU 79 HD21 LEU 79 4.921 9.491 -5.169 667 2HD1 LEU 79 HD22 LEU 79 6.460 9.972 -4.454 668 3HD1 LEU 79 HD23 LEU 79 6.434 9.108 -5.992 669 1HD2 LEU 79 HD11 LEU 79 4.575 11.100 -7.839 670 2HD2 LEU 79 HD12 LEU 79 5.875 9.909 -7.857 671 3HD2 LEU 79 HD13 LEU 79 6.229 11.605 -8.183 672 H GLU 80 HN GLU 80 2.593 11.843 -3.257 673 HA GLU 80 HA GLU 80 1.879 14.596 -2.564 674 1HB GLU 80 HB1 GLU 80 -0.280 14.414 -3.648 675 2HB GLU 80 HB2 GLU 80 0.991 14.125 -4.828 676 1HG GLU 80 HG2 GLU 80 0.346 12.019 -5.207 677 2HG GLU 80 HG1 GLU 80 -0.028 11.717 -3.511 678 HA PRO 81 HA PRO 81 0.416 13.213 1.353 679 1HB PRO 81 HB2 PRO 81 -2.184 14.316 0.320 680 2HB PRO 81 HB1 PRO 81 -1.475 14.461 1.935 681 1HG PRO 81 HG2 PRO 81 -1.222 16.453 0.197 682 2HG PRO 81 HG1 PRO 81 0.141 15.988 1.227 683 1HD PRO 81 HD1 PRO 81 -0.260 15.561 -1.682 684 2HD PRO 81 HD2 PRO 81 1.249 15.704 -0.757 685 H VAL 82 HN VAL 82 0.110 11.145 1.756 686 HA VAL 82 HA VAL 82 -1.651 9.611 0.005 687 HB VAL 82 HB VAL 82 0.960 9.190 0.902 688 1HG1 VAL 82 HG21 VAL 82 -0.182 8.172 2.969 689 2HG1 VAL 82 HG22 VAL 82 1.090 7.254 2.162 690 3HG1 VAL 82 HG23 VAL 82 -0.603 6.840 1.889 691 1HG2 VAL 82 HG11 VAL 82 0.473 6.901 -0.308 692 2HG2 VAL 82 HG12 VAL 82 0.535 8.430 -1.186 693 3HG2 VAL 82 HG13 VAL 82 -1.022 7.730 -0.740 694 H ARG 83 HN ARG 83 -3.347 8.479 0.677 695 HA ARG 83 HA ARG 83 -3.862 8.160 3.542 696 1HB ARG 83 HB2 ARG 83 -5.171 10.088 2.060 697 2HB ARG 83 HB1 ARG 83 -6.279 8.725 1.977 698 1HG ARG 83 HG1 ARG 83 -7.024 9.198 4.000 699 2HG ARG 83 HG2 ARG 83 -5.404 8.982 4.663 700 1HD ARG 83 HD1 ARG 83 -5.559 11.146 5.219 701 2HD ARG 83 HD2 ARG 83 -5.204 11.444 3.517 702 HE ARG 83 HE ARG 83 -7.971 11.101 3.823 703 1HH1 ARG 83 HH11 ARG 83 -5.450 13.358 4.643 704 2HH1 ARG 83 HH12 ARG 83 -6.503 14.734 4.644 705 1HH2 ARG 83 HH21 ARG 83 -9.367 12.906 3.820 706 2HH2 ARG 83 HH22 ARG 83 -8.730 14.476 4.175 707 H LYS 84 HN LYS 84 -3.995 5.987 3.809 708 HA LYS 84 HA LYS 84 -5.517 4.476 1.807 709 1HB LYS 84 HB2 LYS 84 -3.830 3.040 1.296 710 2HB LYS 84 HB1 LYS 84 -2.858 4.447 1.686 711 1HG LYS 84 HG1 LYS 84 -2.922 3.344 4.102 712 2HG LYS 84 HG2 LYS 84 -3.169 1.886 3.137 713 1HD LYS 84 HD2 LYS 84 -0.869 3.831 2.969 714 2HD LYS 84 HD1 LYS 84 -0.814 2.153 3.513 715 1HE LYS 84 HE1 LYS 84 -0.211 1.673 1.417 716 2HE LYS 84 HE2 LYS 84 -1.910 1.920 1.018 717 1HZ LYS 84 HZ1 LYS 84 -1.401 3.707 -0.170 718 2HZ LYS 84 HZ2 LYS 84 0.233 3.308 0.009 719 3HZ LYS 84 HZ3 LYS 84 -0.499 4.387 1.088 720 H HIS 85 HN HIS 85 -6.243 2.380 2.475 721 HA HIS 85 HA HIS 85 -6.844 2.283 5.343 722 1HB HIS 85 HB1 HIS 85 -8.108 0.758 3.051 723 2HB HIS 85 HB2 HIS 85 -8.637 0.725 4.731 724 HD1 HIS 85 HD1 HIS 85 -10.816 1.917 4.732 725 HD2 HIS 85 HD2 HIS 85 -7.938 3.917 2.508 726 HE1 HIS 85 HE1 HIS 85 -11.894 4.078 4.033 727 HE2 HIS 85 HE2 HIS 85 -10.134 5.276 2.685 728 H TYR 86 HN TYR 86 -6.834 0.074 6.343 729 HA TYR 86 HA TYR 86 -4.514 -1.421 5.315 730 1HB TYR 86 HB2 TYR 86 -5.380 -0.756 8.113 731 2HB TYR 86 HB1 TYR 86 -4.200 -2.016 7.783 732 HD1 TYR 86 HD1 TYR 86 -4.473 1.232 8.803 733 HD2 TYR 86 HD2 TYR 86 -2.356 -1.113 5.958 734 HE1 TYR 86 HE1 TYR 86 -2.692 2.923 8.748 735 HE2 TYR 86 HE2 TYR 86 -0.566 0.565 5.892 736 HH TYR 86 HH TYR 86 -0.673 3.397 6.549 737 H ASN 87 HN ASN 87 -4.348 -3.626 5.702 738 HA ASN 87 HA ASN 87 -6.542 -5.134 6.789 739 1HB ASN 87 HB2 ASN 87 -6.986 -4.519 4.250 740 2HB ASN 87 HB1 ASN 87 -5.875 -5.851 3.965 741 1HD2 ASN 87 HD21 ASN 87 -7.389 -7.189 3.071 742 2HD2 ASN 87 HD22 ASN 87 -8.673 -7.903 3.980 743 H LEU 88 HN LEU 88 -4.273 -5.183 7.940 744 HA LEU 88 HA LEU 88 -2.411 -7.079 6.789 745 1HB LEU 88 HB1 LEU 88 -2.399 -5.769 9.511 746 2HB LEU 88 HB2 LEU 88 -1.078 -6.675 8.798 747 HG LEU 88 HG LEU 88 -1.083 -4.908 6.943 748 1HD1 LEU 88 HD11 LEU 88 -3.042 -3.762 8.858 749 2HD1 LEU 88 HD12 LEU 88 -2.997 -3.682 7.097 750 3HD1 LEU 88 HD13 LEU 88 -1.916 -2.668 8.053 751 1HD2 LEU 88 HD21 LEU 88 0.023 -3.219 8.609 752 2HD2 LEU 88 HD22 LEU 88 0.760 -4.791 8.301 753 3HD2 LEU 88 HD23 LEU 88 -0.195 -4.536 9.762 754 H PHE 89 HN PHE 89 -1.864 -9.090 7.665 755 HA PHE 89 HA PHE 89 -4.020 -10.318 9.236 756 1HB PHE 89 HB2 PHE 89 -1.914 -11.584 7.469 757 2HB PHE 89 HB1 PHE 89 -3.132 -12.474 8.376 758 HD1 PHE 89 HD1 PHE 89 -5.149 -12.987 7.376 759 HD2 PHE 89 HD2 PHE 89 -2.809 -9.795 5.812 760 HE1 PHE 89 HE1 PHE 89 -6.719 -12.763 5.496 761 HE2 PHE 89 HE2 PHE 89 -4.375 -9.566 3.928 762 HZ PHE 89 HZ PHE 89 -6.332 -11.051 3.768 Start of MODEL 10 1 1H MET 1 HT1 MET 1 8.057 -10.129 -5.264 2 2H MET 1 HT2 MET 1 8.132 -11.249 -6.561 3 3H MET 1 HT3 MET 1 9.535 -10.919 -5.630 4 HA MET 1 HA MET 1 8.635 -13.004 -5.018 5 1HB MET 1 HB1 MET 1 8.529 -10.672 -3.146 6 2HB MET 1 HB2 MET 1 8.027 -12.252 -2.559 7 1HG MET 1 HG1 MET 1 10.575 -12.257 -3.994 8 2HG MET 1 HG2 MET 1 10.570 -11.298 -2.516 9 1HE MET 1 HE1 MET 1 11.126 -15.644 -2.963 10 2HE MET 1 HE2 MET 1 12.352 -14.376 -2.918 11 3HE MET 1 HE3 MET 1 11.105 -14.353 -4.165 12 H GLU 2 HN GLU 2 6.302 -10.444 -4.126 13 HA GLU 2 HA GLU 2 4.087 -11.845 -5.209 14 1HB GLU 2 HB2 GLU 2 4.831 -12.930 -2.844 15 2HB GLU 2 HB1 GLU 2 3.739 -11.676 -2.275 16 1HG GLU 2 HG2 GLU 2 1.999 -12.574 -3.797 17 2HG GLU 2 HG1 GLU 2 3.096 -13.893 -4.203 18 H VAL 3 HN VAL 3 4.766 -9.373 -5.751 19 HA VAL 3 HA VAL 3 2.921 -7.684 -4.186 20 HB VAL 3 HB VAL 3 5.038 -6.433 -5.866 21 1HG1 VAL 3 HG21 VAL 3 3.669 -4.835 -4.929 22 2HG1 VAL 3 HG22 VAL 3 4.983 -4.910 -3.755 23 3HG1 VAL 3 HG23 VAL 3 3.463 -5.741 -3.430 24 1HG2 VAL 3 HG11 VAL 3 6.317 -6.484 -3.493 25 2HG2 VAL 3 HG12 VAL 3 6.638 -7.617 -4.806 26 3HG2 VAL 3 HG13 VAL 3 5.568 -8.080 -3.483 27 H LYS 4 HN LYS 4 1.150 -7.065 -5.260 28 HA LYS 4 HA LYS 4 1.308 -6.864 -8.193 29 1HB LYS 4 HB1 LYS 4 -0.795 -7.892 -8.462 30 2HB LYS 4 HB2 LYS 4 0.057 -8.896 -7.300 31 1HG LYS 4 HG2 LYS 4 -1.418 -6.896 -5.892 32 2HG LYS 4 HG1 LYS 4 -2.480 -7.705 -7.046 33 1HD LYS 4 HD1 LYS 4 -1.534 -9.888 -6.129 34 2HD LYS 4 HD2 LYS 4 -0.877 -8.913 -4.813 35 1HE LYS 4 HE1 LYS 4 -2.989 -9.837 -4.127 36 2HE LYS 4 HE2 LYS 4 -3.158 -8.094 -4.330 37 1HZ LYS 4 HZ1 LYS 4 -4.641 -10.120 -5.548 38 2HZ LYS 4 HZ2 LYS 4 -3.761 -9.343 -6.766 39 3HZ LYS 4 HZ3 LYS 4 -4.788 -8.449 -5.762 40 H ILE 5 HN ILE 5 -0.151 -5.378 -9.196 41 HA ILE 5 HA ILE 5 -1.103 -3.257 -7.379 42 HB ILE 5 HB ILE 5 -0.102 -2.862 -10.201 43 1HG1 ILE 5 HG11 ILE 5 1.796 -3.441 -8.863 44 2HG1 ILE 5 HG12 ILE 5 1.812 -1.689 -9.044 45 1HG2 ILE 5 HG21 ILE 5 -0.168 -0.474 -9.599 46 2HG2 ILE 5 HG22 ILE 5 -0.883 -0.903 -8.045 47 3HG2 ILE 5 HG23 ILE 5 -1.761 -1.229 -9.540 48 1HD1 ILE 5 HD11 ILE 5 0.429 -1.907 -6.759 49 2HD1 ILE 5 HD12 ILE 5 2.183 -1.747 -6.834 50 3HD1 ILE 5 HD13 ILE 5 1.448 -3.340 -6.643 51 H GLU 6 HN GLU 6 -3.250 -3.133 -7.368 52 HA GLU 6 HA GLU 6 -4.717 -3.243 -9.873 53 1HB GLU 6 HB1 GLU 6 -4.463 -5.596 -8.595 54 2HB GLU 6 HB2 GLU 6 -5.868 -4.964 -7.747 55 1HG GLU 6 HG2 GLU 6 -7.124 -5.711 -9.403 56 2HG GLU 6 HG1 GLU 6 -6.376 -4.507 -10.452 57 H LYS 7 HN LYS 7 -6.791 -2.341 -9.772 58 HA LYS 7 HA LYS 7 -7.297 -0.767 -7.337 59 1HB LYS 7 HB1 LYS 7 -8.444 -0.156 -10.051 60 2HB LYS 7 HB2 LYS 7 -8.273 0.917 -8.669 61 1HG LYS 7 HG1 LYS 7 -5.973 1.175 -9.006 62 2HG LYS 7 HG2 LYS 7 -5.886 -0.228 -10.074 63 1HD LYS 7 HD1 LYS 7 -7.480 1.105 -11.598 64 2HD LYS 7 HD2 LYS 7 -6.992 2.501 -10.637 65 1HE LYS 7 HE2 LYS 7 -5.302 2.683 -12.092 66 2HE LYS 7 HE1 LYS 7 -4.589 1.333 -11.208 67 1HZ LYS 7 HZ1 LYS 7 -6.375 0.274 -13.068 68 2HZ LYS 7 HZ2 LYS 7 -4.688 0.145 -13.054 69 3HZ LYS 7 HZ3 LYS 7 -5.432 1.417 -13.885 70 HA PRO 8 HA PRO 8 -10.582 -3.900 -6.994 71 1HB PRO 8 HB2 PRO 8 -11.139 -2.137 -4.655 72 2HB PRO 8 HB1 PRO 8 -11.073 -3.899 -4.744 73 1HG PRO 8 HG1 PRO 8 -9.066 -2.484 -3.684 74 2HG PRO 8 HG2 PRO 8 -8.771 -3.953 -4.631 75 1HD PRO 8 HD2 PRO 8 -8.327 -1.114 -5.359 76 2HD PRO 8 HD1 PRO 8 -7.487 -2.572 -5.916 77 H THR 9 HN THR 9 -12.584 -3.851 -7.742 78 HA THR 9 HA THR 9 -13.759 -1.291 -8.476 79 HB THR 9 HB THR 9 -13.932 -2.749 -10.278 80 HG1 THR 9 HG1 THR 9 -16.019 -2.764 -10.553 81 1HG2 THR 9 HG21 THR 9 -13.338 -4.860 -9.781 82 2HG2 THR 9 HG22 THR 9 -15.086 -5.097 -9.775 83 3HG2 THR 9 HG23 THR 9 -14.221 -4.869 -8.255 84 HA PRO 10 HA PRO 10 -16.821 -0.686 -5.382 85 1HB PRO 10 HB1 PRO 10 -19.100 -1.052 -7.075 86 2HB PRO 10 HB2 PRO 10 -18.395 0.465 -6.518 87 1HG PRO 10 HG2 PRO 10 -18.025 -0.957 -9.086 88 2HG PRO 10 HG1 PRO 10 -17.882 0.772 -8.726 89 1HD PRO 10 HD2 PRO 10 -15.720 -0.735 -9.201 90 2HD PRO 10 HD1 PRO 10 -15.690 0.563 -7.989 91 H GLU 11 HN GLU 11 -17.153 -3.417 -7.573 92 HA GLU 11 HA GLU 11 -19.038 -4.858 -6.016 93 1HB GLU 11 HB2 GLU 11 -17.708 -5.195 -8.494 94 2HB GLU 11 HB1 GLU 11 -17.358 -6.625 -7.532 95 1HG GLU 11 HG2 GLU 11 -19.672 -7.109 -7.265 96 2HG GLU 11 HG1 GLU 11 -20.135 -5.560 -7.971 97 H LYS 12 HN LYS 12 -15.500 -5.067 -6.312 98 HA LYS 12 HA LYS 12 -15.259 -7.104 -4.321 99 1HB LYS 12 HB2 LYS 12 -13.499 -5.647 -6.121 100 2HB LYS 12 HB1 LYS 12 -12.781 -5.843 -4.528 101 1HG LYS 12 HG2 LYS 12 -12.208 -7.910 -5.055 102 2HG LYS 12 HG1 LYS 12 -13.912 -8.330 -5.245 103 1HD LYS 12 HD1 LYS 12 -12.875 -8.883 -7.295 104 2HD LYS 12 HD2 LYS 12 -13.746 -7.377 -7.586 105 1HE LYS 12 HE1 LYS 12 -11.871 -6.297 -8.108 106 2HE LYS 12 HE2 LYS 12 -11.059 -6.877 -6.654 107 1HZ LYS 12 HZ1 LYS 12 -10.073 -8.547 -7.763 108 2HZ LYS 12 HZ2 LYS 12 -10.330 -7.562 -9.114 109 3HZ LYS 12 HZ3 LYS 12 -11.398 -8.828 -8.776 110 H LEU 13 HN LEU 13 -14.962 -3.599 -4.375 111 HA LEU 13 HA LEU 13 -13.881 -3.255 -1.805 112 1HB LEU 13 HB1 LEU 13 -15.666 -1.406 -3.391 113 2HB LEU 13 HB2 LEU 13 -14.742 -0.945 -1.975 114 HG LEU 13 HG LEU 13 -13.310 -2.106 -4.328 115 1HD1 LEU 13 HD11 LEU 13 -14.891 0.289 -4.406 116 2HD1 LEU 13 HD12 LEU 13 -13.943 -0.470 -5.685 117 3HD1 LEU 13 HD13 LEU 13 -13.180 0.676 -4.582 118 1HD2 LEU 13 HD21 LEU 13 -11.913 -1.790 -2.484 119 2HD2 LEU 13 HD22 LEU 13 -12.663 -0.249 -2.063 120 3HD2 LEU 13 HD23 LEU 13 -11.630 -0.368 -3.489 121 H LYS 14 HN LYS 14 -17.145 -3.816 -2.905 122 HA LYS 14 HA LYS 14 -18.623 -2.896 -0.761 123 1HB LYS 14 HB1 LYS 14 -19.080 -4.523 -3.018 124 2HB LYS 14 HB2 LYS 14 -19.674 -5.429 -1.634 125 1HG LYS 14 HG1 LYS 14 -20.466 -2.617 -1.632 126 2HG LYS 14 HG2 LYS 14 -21.079 -3.541 -3.006 127 1HD LYS 14 HD2 LYS 14 -21.466 -5.220 -0.835 128 2HD LYS 14 HD1 LYS 14 -21.872 -3.618 -0.217 129 1HE LYS 14 HE2 LYS 14 -23.733 -3.477 -1.461 130 2HE LYS 14 HE1 LYS 14 -22.951 -4.178 -2.877 131 1HZ LYS 14 HZ1 LYS 14 -23.402 -6.328 -2.156 132 2HZ LYS 14 HZ2 LYS 14 -24.822 -5.487 -1.784 133 3HZ LYS 14 HZ3 LYS 14 -23.710 -5.849 -0.563 134 H GLU 15 HN GLU 15 -17.107 -6.098 -1.142 135 HA GLU 15 HA GLU 15 -17.887 -6.903 1.526 136 1HB GLU 15 HB2 GLU 15 -15.933 -8.270 -0.330 137 2HB GLU 15 HB1 GLU 15 -16.777 -8.980 1.040 138 1HG GLU 15 HG1 GLU 15 -18.540 -7.835 -0.993 139 2HG GLU 15 HG2 GLU 15 -17.550 -9.181 -1.558 140 H LEU 16 HN LEU 16 -15.171 -5.472 -0.055 141 HA LEU 16 HA LEU 16 -13.422 -5.867 2.240 142 1HB LEU 16 HB2 LEU 16 -13.082 -5.081 -0.595 143 2HB LEU 16 HB1 LEU 16 -11.940 -4.405 0.551 144 HG LEU 16 HG LEU 16 -11.412 -6.733 1.299 145 1HD1 LEU 16 HD11 LEU 16 -12.212 -8.180 -0.965 146 2HD1 LEU 16 HD12 LEU 16 -13.646 -7.321 -0.403 147 3HD1 LEU 16 HD13 LEU 16 -12.767 -8.384 0.696 148 1HD2 LEU 16 HD21 LEU 16 -10.065 -7.267 -0.679 149 2HD2 LEU 16 HD22 LEU 16 -9.981 -5.557 -0.256 150 3HD2 LEU 16 HD23 LEU 16 -10.986 -6.084 -1.609 151 H SER 17 HN SER 17 -15.838 -3.944 1.991 152 HA SER 17 HA SER 17 -15.526 -1.353 1.819 153 1HB SER 17 HB1 SER 17 -16.730 -2.894 4.099 154 2HB SER 17 HB2 SER 17 -16.773 -1.134 4.085 155 HG SER 17 HG SER 17 -18.537 -1.517 2.972 156 H VAL 18 HN VAL 18 -13.370 -0.673 1.943 157 HA VAL 18 HA VAL 18 -11.674 -0.949 4.121 158 HB VAL 18 HB VAL 18 -10.373 0.869 3.226 159 1HG1 VAL 18 HG21 VAL 18 -10.749 0.112 0.630 160 2HG1 VAL 18 HG22 VAL 18 -11.456 -1.238 1.518 161 3HG1 VAL 18 HG23 VAL 18 -9.784 -0.765 1.817 162 1HG2 VAL 18 HG11 VAL 18 -11.247 2.188 1.283 163 2HG2 VAL 18 HG12 VAL 18 -12.034 2.534 2.822 164 3HG2 VAL 18 HG13 VAL 18 -12.842 1.519 1.628 165 H GLU 19 HN GLU 19 -14.446 1.020 3.774 166 HA GLU 19 HA GLU 19 -13.992 3.199 5.378 167 1HB GLU 19 HB2 GLU 19 -16.449 2.979 5.980 168 2HB GLU 19 HB1 GLU 19 -16.080 3.006 4.260 169 1HG GLU 19 HG1 GLU 19 -17.113 1.074 3.987 170 2HG GLU 19 HG2 GLU 19 -16.017 0.306 5.139 171 H LYS 20 HN LYS 20 -14.248 -0.133 6.290 172 HA LYS 20 HA LYS 20 -14.584 0.499 9.112 173 1HB LYS 20 HB2 LYS 20 -13.969 -2.273 8.697 174 2HB LYS 20 HB1 LYS 20 -15.447 -1.550 9.303 175 1HG LYS 20 HG2 LYS 20 -15.827 -1.132 6.692 176 2HG LYS 20 HG1 LYS 20 -14.794 -2.562 6.613 177 1HD LYS 20 HD1 LYS 20 -16.857 -3.542 6.731 178 2HD LYS 20 HD2 LYS 20 -16.445 -3.458 8.447 179 1HE LYS 20 HE1 LYS 20 -17.655 -1.221 8.464 180 2HE LYS 20 HE2 LYS 20 -18.281 -1.668 6.878 181 1HZ LYS 20 HZ1 LYS 20 -19.914 -2.614 8.045 182 2HZ LYS 20 HZ2 LYS 20 -19.032 -2.634 9.487 183 3HZ LYS 20 HZ3 LYS 20 -18.811 -3.861 8.344 184 H TRP 21 HN TRP 21 -12.054 -0.032 6.876 185 HA TRP 21 HA TRP 21 -10.122 -0.974 8.791 186 1HB TRP 21 HB2 TRP 21 -9.478 0.277 6.124 187 2HB TRP 21 HB1 TRP 21 -8.553 -0.924 7.015 188 HD1 TRP 21 HD1 TRP 21 -11.940 -2.249 7.084 189 HE1 TRP 21 HE1 TRP 21 -12.351 -3.901 5.160 190 HE3 TRP 21 HE3 TRP 21 -7.887 -1.138 4.159 191 HZ2 TRP 21 HZ2 TRP 21 -11.122 -4.654 2.739 192 HZ3 TRP 21 HZ3 TRP 21 -7.581 -2.375 2.056 193 HH2 TRP 21 HH2 TRP 21 -9.167 -4.097 1.362 194 HA PRO 22 HA PRO 22 -8.953 2.910 10.593 195 1HB PRO 22 HB2 PRO 22 -6.199 2.457 10.675 196 2HB PRO 22 HB1 PRO 22 -7.351 2.032 11.938 197 1HG PRO 22 HG2 PRO 22 -6.127 0.332 9.841 198 2HG PRO 22 HG1 PRO 22 -6.604 -0.090 11.489 199 1HD PRO 22 HD1 PRO 22 -8.052 -0.844 9.338 200 2HD PRO 22 HD2 PRO 22 -8.810 -0.450 10.895 201 H ILE 23 HN ILE 23 -7.926 4.874 10.009 202 HA ILE 23 HA ILE 23 -7.174 4.955 7.175 203 HB ILE 23 HB ILE 23 -7.982 7.287 8.916 204 1HG1 ILE 23 HG11 ILE 23 -9.824 5.668 8.733 205 2HG1 ILE 23 HG12 ILE 23 -10.179 7.138 7.830 206 1HG2 ILE 23 HG21 ILE 23 -7.517 6.947 5.968 207 2HG2 ILE 23 HG22 ILE 23 -6.761 8.090 7.078 208 3HG2 ILE 23 HG23 ILE 23 -8.454 8.288 6.627 209 1HD1 ILE 23 HD11 ILE 23 -9.609 6.029 5.755 210 2HD1 ILE 23 HD12 ILE 23 -10.850 5.126 6.623 211 3HD1 ILE 23 HD13 ILE 23 -9.178 4.564 6.638 212 H TRP 24 HN TRP 24 -5.376 6.115 6.467 213 HA TRP 24 HA TRP 24 -3.395 6.742 8.556 214 1HB TRP 24 HB2 TRP 24 -3.133 4.644 6.939 215 2HB TRP 24 HB1 TRP 24 -2.514 5.872 5.839 216 HD1 TRP 24 HD1 TRP 24 -1.829 5.842 9.633 217 HE1 TRP 24 HE1 TRP 24 0.708 5.588 9.987 218 HE3 TRP 24 HE3 TRP 24 -0.400 5.115 4.778 219 HZ2 TRP 24 HZ2 TRP 24 3.011 5.139 8.415 220 HZ3 TRP 24 HZ3 TRP 24 1.989 4.781 4.288 221 HH2 TRP 24 HH2 TRP 24 3.657 4.793 6.071 222 H GLU 25 HN GLU 25 -2.187 8.574 8.326 223 HA GLU 25 HA GLU 25 -2.834 10.309 6.030 224 1HB GLU 25 HB2 GLU 25 -2.350 10.956 8.929 225 2HB GLU 25 HB1 GLU 25 -2.102 12.170 7.681 226 1HG GLU 25 HG2 GLU 25 -4.278 12.557 7.491 227 2HG GLU 25 HG1 GLU 25 -4.657 10.838 7.402 228 H LYS 26 HN LYS 26 -1.146 11.007 4.802 229 HA LYS 26 HA LYS 26 1.553 10.829 5.908 230 1HB LYS 26 HB2 LYS 26 0.633 8.708 4.559 231 2HB LYS 26 HB1 LYS 26 1.201 9.671 3.202 232 1HG LYS 26 HG2 LYS 26 3.419 9.793 4.218 233 2HG LYS 26 HG1 LYS 26 2.847 8.809 5.568 234 1HD LYS 26 HD1 LYS 26 2.529 6.925 4.191 235 2HD LYS 26 HD2 LYS 26 2.679 7.881 2.714 236 1HE LYS 26 HE1 LYS 26 5.033 8.333 3.278 237 2HE LYS 26 HE2 LYS 26 4.865 7.307 4.705 238 1HZ LYS 26 HZ1 LYS 26 5.446 6.545 2.064 239 2HZ LYS 26 HZ2 LYS 26 3.974 5.842 2.511 240 3HZ LYS 26 HZ3 LYS 26 5.358 5.573 3.446 241 H GLU 27 HN GLU 27 2.865 12.346 5.259 242 HA GLU 27 HA GLU 27 2.010 14.195 3.158 243 1HB GLU 27 HB2 GLU 27 3.927 15.602 4.066 244 2HB GLU 27 HB1 GLU 27 2.565 15.365 5.150 245 1HG GLU 27 HG2 GLU 27 4.545 13.299 5.504 246 2HG GLU 27 HG1 GLU 27 5.250 14.904 5.691 247 H VAL 28 HN VAL 28 3.725 14.996 1.660 248 HA VAL 28 HA VAL 28 4.873 12.930 0.170 249 HB VAL 28 HB VAL 28 5.702 15.826 0.187 250 1HG1 VAL 28 HG11 VAL 28 6.868 13.724 -1.140 251 2HG1 VAL 28 HG12 VAL 28 6.973 15.422 -1.602 252 3HG1 VAL 28 HG13 VAL 28 5.756 14.382 -2.341 253 1HG2 VAL 28 HG21 VAL 28 4.071 15.672 -1.908 254 2HG2 VAL 28 HG22 VAL 28 3.497 16.071 -0.288 255 3HG2 VAL 28 HG23 VAL 28 3.331 14.425 -0.902 256 H SER 29 HN SER 29 5.913 12.035 2.377 257 HA SER 29 HA SER 29 8.624 13.102 2.737 258 1HB SER 29 HB1 SER 29 6.711 12.277 4.595 259 2HB SER 29 HB2 SER 29 7.893 10.972 4.567 260 HG SER 29 HG SER 29 9.477 12.379 5.146 261 H GLU 30 HN GLU 30 9.639 10.652 3.876 262 HA GLU 30 HA GLU 30 9.506 8.674 1.750 263 1HB GLU 30 HB1 GLU 30 11.709 10.468 2.034 264 2HB GLU 30 HB2 GLU 30 12.242 8.870 2.538 265 1HG GLU 30 HG1 GLU 30 12.311 8.136 0.447 266 2HG GLU 30 HG2 GLU 30 10.698 8.757 0.097 267 H PHE 31 HN PHE 31 9.273 6.737 2.676 268 HA PHE 31 HA PHE 31 10.197 6.409 5.458 269 1HB PHE 31 HB1 PHE 31 7.657 5.409 4.174 270 2HB PHE 31 HB2 PHE 31 8.187 4.968 5.793 271 HD1 PHE 31 HD1 PHE 31 7.383 6.183 7.575 272 HD2 PHE 31 HD2 PHE 31 7.455 7.962 3.712 273 HE1 PHE 31 HE1 PHE 31 6.195 8.147 8.463 274 HE2 PHE 31 HE2 PHE 31 6.266 9.928 4.590 275 HZ PHE 31 HZ PHE 31 5.637 10.024 6.965 276 H ASP 32 HN ASP 32 10.871 4.339 6.115 277 HA ASP 32 HA ASP 32 11.870 2.669 3.949 278 1HB ASP 32 HB2 ASP 32 13.083 1.464 5.703 279 2HB ASP 32 HB1 ASP 32 13.358 3.197 5.844 280 H TRP 33 HN TRP 33 11.295 0.496 3.648 281 HA TRP 33 HA TRP 33 8.792 -0.287 4.983 282 1HB TRP 33 HB1 TRP 33 8.610 0.151 2.542 283 2HB TRP 33 HB2 TRP 33 9.788 -1.097 2.247 284 HD1 TRP 33 HD1 TRP 33 8.147 -2.468 0.744 285 HE1 TRP 33 HE1 TRP 33 6.130 -3.955 1.248 286 HE3 TRP 33 HE3 TRP 33 7.268 -1.113 5.596 287 HZ2 TRP 33 HZ2 TRP 33 4.415 -4.507 3.362 288 HZ3 TRP 33 HZ3 TRP 33 5.409 -2.182 6.786 289 HH2 TRP 33 HH2 TRP 33 4.017 -3.853 5.677 290 H TYR 34 HN TYR 34 8.844 -2.007 6.225 291 HA TYR 34 HA TYR 34 10.762 -4.143 5.673 292 1HB TYR 34 HB1 TYR 34 11.723 -2.784 7.490 293 2HB TYR 34 HB2 TYR 34 10.244 -2.990 8.417 294 HD1 TYR 34 HD1 TYR 34 12.121 -5.512 6.431 295 HD2 TYR 34 HD2 TYR 34 10.902 -4.217 10.296 296 HE1 TYR 34 HE1 TYR 34 13.022 -7.583 7.401 297 HE2 TYR 34 HE2 TYR 34 11.801 -6.284 11.278 298 HH TYR 34 HH TYR 34 13.930 -8.203 9.899 299 H TYR 35 HN TYR 35 9.582 -5.854 5.262 300 HA TYR 35 HA TYR 35 6.893 -6.076 6.324 301 1HB TYR 35 HB2 TYR 35 7.785 -6.524 3.899 302 2HB TYR 35 HB1 TYR 35 8.168 -8.110 4.549 303 HD1 TYR 35 HD1 TYR 35 5.302 -5.835 5.019 304 HD2 TYR 35 HD2 TYR 35 6.616 -9.648 3.770 305 HE1 TYR 35 HE1 TYR 35 2.962 -6.516 4.703 306 HE2 TYR 35 HE2 TYR 35 4.283 -10.357 3.447 307 HH TYR 35 HH TYR 35 1.826 -9.135 4.739 308 H ASP 36 HN ASP 36 6.296 -7.388 7.938 309 HA ASP 36 HA ASP 36 8.125 -9.552 8.730 310 1HB ASP 36 HB1 ASP 36 8.283 -7.542 10.225 311 2HB ASP 36 HB2 ASP 36 6.599 -7.805 10.665 312 H THR 37 HN THR 37 4.964 -8.729 7.849 313 HA THR 37 HA THR 37 4.044 -11.389 8.321 314 HB THR 37 HB THR 37 2.693 -9.182 9.887 315 HG1 THR 37 HG1 THR 37 3.823 -9.790 11.557 316 1HG2 THR 37 HG21 THR 37 1.902 -11.889 9.223 317 2HG2 THR 37 HG22 THR 37 0.962 -10.559 9.901 318 3HG2 THR 37 HG23 THR 37 1.933 -11.583 10.960 319 H ASN 38 HN ASN 38 2.341 -11.919 7.059 320 HA ASN 38 HA ASN 38 1.674 -10.655 4.782 321 1HB ASN 38 HB1 ASN 38 0.868 -12.945 5.847 322 2HB ASN 38 HB2 ASN 38 -0.579 -12.004 6.201 323 1HD2 ASN 38 HD21 ASN 38 1.676 -12.460 3.497 324 2HD2 ASN 38 HD22 ASN 38 0.455 -12.605 2.284 325 H GLU 39 HN GLU 39 1.108 -8.620 4.486 326 HA GLU 39 HA GLU 39 -1.177 -7.560 6.005 327 1HB GLU 39 HB1 GLU 39 0.325 -6.266 7.091 328 2HB GLU 39 HB2 GLU 39 1.577 -6.549 5.901 329 1HG GLU 39 HG2 GLU 39 0.788 -4.781 4.522 330 2HG GLU 39 HG1 GLU 39 -0.680 -4.607 5.478 331 H THR 40 HN THR 40 -2.426 -5.973 4.932 332 HA THR 40 HA THR 40 -1.877 -5.542 2.093 333 HB THR 40 HB THR 40 -4.576 -6.461 3.096 334 HG1 THR 40 HG1 THR 40 -3.968 -8.424 2.709 335 1HG2 THR 40 HG21 THR 40 -5.045 -5.307 1.164 336 2HG2 THR 40 HG22 THR 40 -4.806 -6.951 0.572 337 3HG2 THR 40 HG23 THR 40 -3.520 -5.755 0.401 338 H CYS 41 HN CYS 41 -2.223 -3.487 1.517 339 HA CYS 41 HA CYS 41 -4.011 -1.853 3.192 340 1HB CYS 41 HB2 CYS 41 -2.259 0.024 2.449 341 2HB CYS 41 HB1 CYS 41 -2.083 -0.909 3.932 342 HG CYS 41 HG CYS 41 -0.190 -2.245 2.866 343 H TYR 42 HN TYR 42 -5.002 -0.057 2.134 344 HA TYR 42 HA TYR 42 -5.023 -0.255 -0.806 345 1HB TYR 42 HB1 TYR 42 -7.067 -1.223 -0.165 346 2HB TYR 42 HB2 TYR 42 -7.300 -0.084 1.155 347 HD1 TYR 42 HD1 TYR 42 -8.478 1.949 0.823 348 HD2 TYR 42 HD2 TYR 42 -7.420 -0.460 -2.520 349 HE1 TYR 42 HE1 TYR 42 -9.931 3.316 -0.616 350 HE2 TYR 42 HE2 TYR 42 -8.867 0.897 -3.967 351 HH TYR 42 HH TYR 42 -9.786 3.659 -3.584 352 H ILE 43 HN ILE 43 -4.758 1.614 -1.897 353 HA ILE 43 HA ILE 43 -4.189 4.022 -0.441 354 HB ILE 43 HB ILE 43 -4.381 3.545 -3.413 355 1HG1 ILE 43 HG11 ILE 43 -2.574 2.362 -2.001 356 2HG1 ILE 43 HG12 ILE 43 -2.053 3.251 -3.428 357 1HG2 ILE 43 HG21 ILE 43 -3.605 5.973 -1.844 358 2HG2 ILE 43 HG22 ILE 43 -4.704 5.838 -3.218 359 3HG2 ILE 43 HG23 ILE 43 -2.963 5.688 -3.462 360 1HD1 ILE 43 HD11 ILE 43 -0.696 3.512 -1.284 361 2HD1 ILE 43 HD12 ILE 43 -2.030 4.518 -0.718 362 3HD1 ILE 43 HD13 ILE 43 -1.134 4.975 -2.168 363 H LEU 44 HN LEU 44 -5.277 6.002 -0.584 364 HA LEU 44 HA LEU 44 -8.088 5.815 -1.451 365 1HB LEU 44 HB2 LEU 44 -7.794 5.937 1.011 366 2HB LEU 44 HB1 LEU 44 -6.970 7.472 0.813 367 HG LEU 44 HG LEU 44 -9.081 8.368 -0.230 368 1HD1 LEU 44 HD21 LEU 44 -10.509 6.769 -0.891 369 2HD1 LEU 44 HD22 LEU 44 -11.058 6.814 0.785 370 3HD1 LEU 44 HD23 LEU 44 -9.892 5.594 0.270 371 1HD2 LEU 44 HD11 LEU 44 -9.361 9.227 1.793 372 2HD2 LEU 44 HD12 LEU 44 -8.425 7.906 2.493 373 3HD2 LEU 44 HD13 LEU 44 -10.172 7.750 2.311 374 H GLU 45 HN GLU 45 -5.221 7.830 -1.187 375 HA GLU 45 HA GLU 45 -5.689 9.179 -3.601 376 1HB GLU 45 HB2 GLU 45 -6.310 11.375 -2.885 377 2HB GLU 45 HB1 GLU 45 -7.470 10.253 -2.186 378 1HG GLU 45 HG2 GLU 45 -5.977 10.311 -0.105 379 2HG GLU 45 HG1 GLU 45 -5.255 11.744 -0.835 380 H GLY 46 HN GLY 46 -3.629 9.322 -4.232 381 1HA GLY 46 HA2 GLY 46 -1.718 11.004 -3.485 382 2HA GLY 46 HA1 GLY 46 -1.543 9.770 -2.247 383 H LYS 47 HN LYS 47 0.520 10.391 -3.973 384 HA LYS 47 HA LYS 47 0.589 8.071 -5.777 385 1HB LYS 47 HB1 LYS 47 1.255 10.805 -6.215 386 2HB LYS 47 HB2 LYS 47 2.737 9.864 -6.318 387 1HG LYS 47 HG1 LYS 47 1.160 8.315 -7.806 388 2HG LYS 47 HG2 LYS 47 0.360 9.868 -8.070 389 1HD LYS 47 HD1 LYS 47 1.935 9.799 -9.778 390 2HD LYS 47 HD2 LYS 47 2.755 10.742 -8.530 391 1HE LYS 47 HE1 LYS 47 4.414 9.263 -9.090 392 2HE LYS 47 HE2 LYS 47 3.632 8.385 -7.775 393 1HZ LYS 47 HZ1 LYS 47 3.855 6.812 -9.445 394 2HZ LYS 47 HZ2 LYS 47 3.450 7.895 -10.680 395 3HZ LYS 47 HZ3 LYS 47 2.253 7.325 -9.629 396 H VAL 48 HN VAL 48 2.082 6.543 -5.475 397 HA VAL 48 HA VAL 48 4.321 7.093 -3.665 398 HB VAL 48 HB VAL 48 2.131 5.120 -3.262 399 1HG1 VAL 48 HG21 VAL 48 5.007 4.463 -2.855 400 2HG1 VAL 48 HG22 VAL 48 3.657 3.410 -3.282 401 3HG1 VAL 48 HG23 VAL 48 3.853 3.962 -1.618 402 1HG2 VAL 48 HG11 VAL 48 3.113 5.683 -0.834 403 2HG2 VAL 48 HG12 VAL 48 1.942 6.704 -1.670 404 3HG2 VAL 48 HG13 VAL 48 3.658 7.109 -1.716 405 H GLU 49 HN GLU 49 6.189 6.406 -4.438 406 HA GLU 49 HA GLU 49 6.179 4.390 -6.583 407 1HB GLU 49 HB2 GLU 49 8.249 6.504 -5.950 408 2HB GLU 49 HB1 GLU 49 8.366 5.324 -7.249 409 1HG GLU 49 HG1 GLU 49 6.266 6.285 -8.202 410 2HG GLU 49 HG2 GLU 49 6.372 7.558 -6.987 411 H VAL 50 HN VAL 50 6.683 2.449 -5.847 412 HA VAL 50 HA VAL 50 8.374 2.193 -3.477 413 HB VAL 50 HB VAL 50 6.522 0.236 -4.840 414 1HG1 VAL 50 HG11 VAL 50 7.201 -0.691 -2.273 415 2HG1 VAL 50 HG12 VAL 50 8.716 -0.299 -3.089 416 3HG1 VAL 50 HG13 VAL 50 7.582 -1.428 -3.830 417 1HG2 VAL 50 HG21 VAL 50 6.303 1.411 -2.081 418 2HG2 VAL 50 HG22 VAL 50 5.072 0.545 -3.003 419 3HG2 VAL 50 HG23 VAL 50 5.570 2.162 -3.500 420 H THR 51 HN THR 51 10.302 1.240 -3.464 421 HA THR 51 HA THR 51 11.167 -0.270 -5.827 422 HB THR 51 HB THR 51 12.955 1.622 -4.288 423 HG1 THR 51 HG1 THR 51 12.832 2.883 -6.218 424 1HG2 THR 51 HG21 THR 51 13.722 0.875 -6.986 425 2HG2 THR 51 HG22 THR 51 13.684 -0.487 -5.867 426 3HG2 THR 51 HG23 THR 51 14.675 0.925 -5.503 427 H THR 52 HN THR 52 11.450 -2.311 -5.151 428 HA THR 52 HA THR 52 12.174 -2.816 -2.376 429 HB THR 52 HB THR 52 11.305 -4.927 -2.609 430 HG1 THR 52 HG1 THR 52 11.678 -4.982 -5.403 431 1HG2 THR 52 HG21 THR 52 9.280 -4.863 -3.660 432 2HG2 THR 52 HG22 THR 52 9.899 -3.962 -5.044 433 3HG2 THR 52 HG23 THR 52 9.642 -3.143 -3.503 434 H GLU 53 HN GLU 53 13.915 -4.139 -1.735 435 HA GLU 53 HA GLU 53 16.356 -3.530 -2.888 436 1HB GLU 53 HB2 GLU 53 17.341 -5.052 -1.349 437 2HB GLU 53 HB1 GLU 53 15.937 -4.363 -0.546 438 1HG GLU 53 HG2 GLU 53 15.956 -7.040 -1.918 439 2HG GLU 53 HG1 GLU 53 16.230 -6.800 -0.194 440 H ASP 54 HN ASP 54 14.350 -6.410 -3.331 441 HA ASP 54 HA ASP 54 16.048 -8.066 -4.697 442 1HB ASP 54 HB1 ASP 54 13.615 -8.475 -4.062 443 2HB ASP 54 HB2 ASP 54 13.185 -7.639 -5.551 444 H GLY 55 HN GLY 55 14.519 -5.145 -5.850 445 1HA GLY 55 HA1 GLY 55 15.789 -3.958 -7.611 446 2HA GLY 55 HA2 GLY 55 15.915 -5.509 -8.429 447 H LYS 56 HN LYS 56 12.914 -4.975 -6.905 448 HA LYS 56 HA LYS 56 11.665 -4.565 -9.516 449 1HB LYS 56 HB1 LYS 56 10.333 -5.287 -6.901 450 2HB LYS 56 HB2 LYS 56 9.646 -5.400 -8.514 451 1HG LYS 56 HG2 LYS 56 11.739 -7.004 -8.864 452 2HG LYS 56 HG1 LYS 56 11.524 -7.207 -7.124 453 1HD LYS 56 HD1 LYS 56 9.770 -8.536 -7.444 454 2HD LYS 56 HD2 LYS 56 8.979 -7.318 -8.447 455 1HE LYS 56 HE2 LYS 56 11.177 -9.010 -9.567 456 2HE LYS 56 HE1 LYS 56 9.534 -9.640 -9.462 457 1HZ LYS 56 HZ1 LYS 56 10.056 -7.026 -10.723 458 2HZ LYS 56 HZ2 LYS 56 8.749 -8.074 -10.951 459 3HZ LYS 56 HZ3 LYS 56 10.263 -8.457 -11.600 460 H LYS 57 HN LYS 57 9.436 -3.345 -9.216 461 HA LYS 57 HA LYS 57 9.546 -1.132 -7.383 462 1HB LYS 57 HB2 LYS 57 10.768 -0.811 -9.885 463 2HB LYS 57 HB1 LYS 57 9.214 0.000 -10.023 464 1HG LYS 57 HG2 LYS 57 9.718 1.530 -8.354 465 2HG LYS 57 HG1 LYS 57 10.996 0.518 -7.679 466 1HD LYS 57 HD1 LYS 57 11.074 1.980 -10.316 467 2HD LYS 57 HD2 LYS 57 11.958 2.413 -8.851 468 1HE LYS 57 HE2 LYS 57 12.688 -0.195 -9.211 469 2HE LYS 57 HE1 LYS 57 12.541 0.377 -10.871 470 1HZ LYS 57 HZ1 LYS 57 14.141 1.744 -8.778 471 2HZ LYS 57 HZ2 LYS 57 14.094 2.118 -10.427 472 3HZ LYS 57 HZ3 LYS 57 14.783 0.663 -9.909 473 H TYR 58 HN TYR 58 7.547 -0.308 -6.976 474 HA TYR 58 HA TYR 58 5.363 -1.038 -8.796 475 1HB TYR 58 HB2 TYR 58 4.759 -1.198 -5.893 476 2HB TYR 58 HB1 TYR 58 4.117 -2.144 -7.230 477 HD1 TYR 58 HD1 TYR 58 6.071 -3.649 -8.398 478 HD2 TYR 58 HD2 TYR 58 5.961 -2.382 -4.337 479 HE1 TYR 58 HE1 TYR 58 7.536 -5.527 -7.777 480 HE2 TYR 58 HE2 TYR 58 7.423 -4.254 -3.706 481 HH TYR 58 HH TYR 58 8.980 -6.255 -6.079 482 H VAL 59 HN VAL 59 4.342 0.745 -9.373 483 HA VAL 59 HA VAL 59 4.296 3.031 -7.528 484 HB VAL 59 HB VAL 59 3.672 4.403 -9.442 485 1HG1 VAL 59 HG11 VAL 59 5.785 4.597 -10.240 486 2HG1 VAL 59 HG12 VAL 59 5.938 2.871 -10.569 487 3HG1 VAL 59 HG13 VAL 59 6.122 3.474 -8.923 488 1HG2 VAL 59 HG21 VAL 59 3.904 3.216 -11.742 489 2HG2 VAL 59 HG22 VAL 59 2.385 3.103 -10.854 490 3HG2 VAL 59 HG23 VAL 59 3.526 1.758 -10.827 491 H ILE 60 HN ILE 60 2.524 3.193 -6.322 492 HA ILE 60 HA ILE 60 -0.039 2.314 -7.481 493 HB ILE 60 HB ILE 60 -0.736 1.955 -5.057 494 1HG1 ILE 60 HG11 ILE 60 2.111 1.459 -4.393 495 2HG1 ILE 60 HG12 ILE 60 1.610 3.146 -4.438 496 1HG2 ILE 60 HG21 ILE 60 -0.394 -0.231 -5.399 497 2HG2 ILE 60 HG22 ILE 60 1.354 -0.036 -5.531 498 3HG2 ILE 60 HG23 ILE 60 0.324 0.280 -6.926 499 1HD1 ILE 60 HD11 ILE 60 1.224 2.648 -2.250 500 2HD1 ILE 60 HD12 ILE 60 0.793 0.973 -2.590 501 3HD1 ILE 60 HD13 ILE 60 -0.354 2.266 -2.939 502 H GLU 61 HN GLU 61 -1.512 3.860 -7.722 503 HA GLU 61 HA GLU 61 -1.542 6.095 -5.841 504 1HB GLU 61 HB2 GLU 61 -0.245 6.869 -7.769 505 2HB GLU 61 HB1 GLU 61 -1.558 6.416 -8.847 506 1HG GLU 61 HG1 GLU 61 -2.990 8.034 -7.490 507 2HG GLU 61 HG2 GLU 61 -1.466 8.635 -6.840 508 H LYS 62 HN LYS 62 -3.461 6.781 -5.270 509 HA LYS 62 HA LYS 62 -5.695 6.778 -4.934 510 1HB LYS 62 HB2 LYS 62 -5.156 7.883 -7.346 511 2HB LYS 62 HB1 LYS 62 -6.300 6.634 -7.818 512 1HG LYS 62 HG2 LYS 62 -6.716 8.996 -6.034 513 2HG LYS 62 HG1 LYS 62 -7.647 8.479 -7.440 514 1HD LYS 62 HD1 LYS 62 -8.403 6.494 -6.131 515 2HD LYS 62 HD2 LYS 62 -7.586 7.174 -4.722 516 1HE LYS 62 HE2 LYS 62 -9.028 9.014 -4.625 517 2HE LYS 62 HE1 LYS 62 -9.639 8.729 -6.254 518 1HZ LYS 62 HZ1 LYS 62 -10.878 6.892 -5.535 519 2HZ LYS 62 HZ2 LYS 62 -11.135 8.069 -4.347 520 3HZ LYS 62 HZ3 LYS 62 -10.062 6.793 -4.057 521 H GLY 63 HN GLY 63 -6.801 5.208 -4.142 522 1HA GLY 63 HA2 GLY 63 -7.768 3.131 -3.849 523 2HA GLY 63 HA1 GLY 63 -8.532 3.579 -5.362 524 H ASP 64 HN ASP 64 -5.462 2.190 -4.223 525 HA ASP 64 HA ASP 64 -5.888 -0.090 -5.958 526 1HB ASP 64 HB1 ASP 64 -3.601 0.055 -6.927 527 2HB ASP 64 HB2 ASP 64 -4.660 1.361 -7.452 528 H LEU 65 HN LEU 65 -5.440 -1.866 -4.853 529 HA LEU 65 HA LEU 65 -3.786 -1.609 -2.450 530 1HB LEU 65 HB1 LEU 65 -4.864 -4.043 -2.182 531 2HB LEU 65 HB2 LEU 65 -5.632 -2.579 -1.614 532 HG LEU 65 HG LEU 65 -6.958 -2.508 -3.710 533 1HD1 LEU 65 HD11 LEU 65 -5.311 -3.803 -5.065 534 2HD1 LEU 65 HD12 LEU 65 -6.975 -4.360 -5.223 535 3HD1 LEU 65 HD13 LEU 65 -5.836 -5.258 -4.219 536 1HD2 LEU 65 HD21 LEU 65 -8.060 -4.906 -3.102 537 2HD2 LEU 65 HD22 LEU 65 -8.315 -3.430 -2.169 538 3HD2 LEU 65 HD23 LEU 65 -7.102 -4.602 -1.654 539 H VAL 66 HN VAL 66 -2.159 -3.051 -1.949 540 HA VAL 66 HA VAL 66 -1.206 -4.778 -4.132 541 HB VAL 66 HB VAL 66 0.482 -2.966 -2.401 542 1HG1 VAL 66 HG21 VAL 66 1.220 -5.044 -4.442 543 2HG1 VAL 66 HG22 VAL 66 1.781 -4.887 -2.778 544 3HG1 VAL 66 HG23 VAL 66 2.306 -3.727 -3.998 545 1HG2 VAL 66 HG11 VAL 66 -0.396 -2.836 -5.262 546 2HG2 VAL 66 HG12 VAL 66 1.059 -2.010 -4.703 547 3HG2 VAL 66 HG13 VAL 66 -0.510 -1.599 -4.009 548 H THR 67 HN THR 67 0.017 -6.603 -3.508 549 HA THR 67 HA THR 67 -0.448 -7.449 -0.725 550 HB THR 67 HB THR 67 0.186 -9.071 -3.203 551 HG1 THR 67 HG1 THR 67 -2.163 -8.738 -1.661 552 1HG2 THR 67 HG21 THR 67 -0.626 -10.942 -1.553 553 2HG2 THR 67 HG22 THR 67 0.050 -9.847 -0.348 554 3HG2 THR 67 HG23 THR 67 1.069 -10.465 -1.648 555 H PHE 68 HN PHE 68 1.280 -8.457 0.440 556 HA PHE 68 HA PHE 68 3.945 -7.935 -0.668 557 1HB PHE 68 HB2 PHE 68 2.939 -7.104 2.053 558 2HB PHE 68 HB1 PHE 68 4.633 -7.049 1.572 559 HD1 PHE 68 HD1 PHE 68 2.282 -4.916 2.325 560 HD2 PHE 68 HD2 PHE 68 4.441 -6.030 -1.169 561 HE1 PHE 68 HE1 PHE 68 1.905 -2.675 1.382 562 HE2 PHE 68 HE2 PHE 68 4.068 -3.789 -2.118 563 HZ PHE 68 HZ PHE 68 2.798 -2.109 -0.841 564 HA PRO 69 HA PRO 69 4.642 -11.995 1.049 565 1HB PRO 69 HB1 PRO 69 7.005 -12.449 -0.045 566 2HB PRO 69 HB2 PRO 69 5.589 -12.215 -1.073 567 1HG PRO 69 HG1 PRO 69 7.785 -10.304 -0.413 568 2HG PRO 69 HG2 PRO 69 6.959 -10.578 -1.951 569 1HD PRO 69 HD2 PRO 69 6.373 -8.546 -0.123 570 2HD PRO 69 HD1 PRO 69 5.334 -9.070 -1.454 571 H LYS 70 HN LYS 70 5.135 -12.366 3.098 572 HA LYS 70 HA LYS 70 6.438 -11.090 4.981 573 1HB LYS 70 HB1 LYS 70 5.458 -13.455 5.074 574 2HB LYS 70 HB2 LYS 70 7.082 -14.013 4.694 575 1HG LYS 70 HG1 LYS 70 7.940 -13.326 6.722 576 2HG LYS 70 HG2 LYS 70 6.654 -12.144 6.984 577 1HD LYS 70 HD2 LYS 70 5.151 -13.739 7.706 578 2HD LYS 70 HD1 LYS 70 5.973 -15.049 6.856 579 1HE LYS 70 HE2 LYS 70 7.106 -13.604 9.246 580 2HE LYS 70 HE1 LYS 70 6.216 -15.124 9.337 581 1HZ LYS 70 HZ1 LYS 70 7.962 -16.283 8.585 582 2HZ LYS 70 HZ2 LYS 70 8.873 -14.942 9.067 583 3HZ LYS 70 HZ3 LYS 70 8.408 -15.111 7.451 584 H GLY 71 HN GLY 71 8.260 -9.969 5.012 585 1HA GLY 71 HA2 GLY 71 10.705 -10.250 5.347 586 2HA GLY 71 HA1 GLY 71 10.693 -11.200 3.869 587 H LEU 72 HN LEU 72 8.779 -9.368 2.578 588 HA LEU 72 HA LEU 72 10.290 -7.886 0.967 589 1HB LEU 72 HB2 LEU 72 8.066 -7.917 0.443 590 2HB LEU 72 HB1 LEU 72 7.554 -7.486 2.057 591 HG LEU 72 HG LEU 72 7.786 -5.196 1.669 592 1HD1 LEU 72 HD11 LEU 72 9.701 -4.507 0.731 593 2HD1 LEU 72 HD12 LEU 72 8.924 -4.782 -0.828 594 3HD1 LEU 72 HD13 LEU 72 9.934 -6.038 -0.113 595 1HD2 LEU 72 HD21 LEU 72 6.658 -4.789 -0.487 596 2HD2 LEU 72 HD22 LEU 72 5.933 -6.123 0.412 597 3HD2 LEU 72 HD23 LEU 72 6.990 -6.455 -0.960 598 H ARG 73 HN ARG 73 11.630 -6.262 1.005 599 HA ARG 73 HA ARG 73 11.445 -4.209 3.105 600 1HB ARG 73 HB1 ARG 73 13.400 -6.044 3.236 601 2HB ARG 73 HB2 ARG 73 14.155 -4.929 2.105 602 1HG ARG 73 HG2 ARG 73 13.592 -3.112 3.823 603 2HG ARG 73 HG1 ARG 73 13.328 -4.450 4.942 604 1HD ARG 73 HD2 ARG 73 15.620 -5.265 4.394 605 2HD ARG 73 HD1 ARG 73 15.864 -3.796 3.451 606 HE ARG 73 HE ARG 73 15.138 -2.829 5.853 607 1HH1 ARG 73 HH21 ARG 73 17.506 -5.192 4.888 608 2HH1 ARG 73 HH22 ARG 73 18.578 -4.846 6.204 609 1HH2 ARG 73 HH11 ARG 73 16.541 -2.364 7.590 610 2HH2 ARG 73 HH12 ARG 73 18.029 -3.238 7.740 611 H CYS 74 HN CYS 74 11.260 -2.242 2.195 612 HA CYS 74 HA CYS 74 12.604 -1.609 -0.297 613 1HB CYS 74 HB2 CYS 74 10.839 -1.604 -1.694 614 2HB CYS 74 HB1 CYS 74 10.076 -2.638 -0.499 615 HG CYS 74 HG CYS 74 9.446 0.396 -0.800 616 H ARG 75 HN ARG 75 12.226 0.705 -0.962 617 HA ARG 75 HA ARG 75 11.990 2.372 1.453 618 1HB ARG 75 HB1 ARG 75 14.113 2.414 -0.058 619 2HB ARG 75 HB2 ARG 75 13.112 3.362 -1.149 620 1HG ARG 75 HG2 ARG 75 13.334 4.150 1.722 621 2HG ARG 75 HG1 ARG 75 14.627 4.554 0.590 622 1HD ARG 75 HD1 ARG 75 11.801 5.184 -0.122 623 2HD ARG 75 HD2 ARG 75 12.657 6.220 1.015 624 HE ARG 75 HE ARG 75 13.058 6.066 -1.813 625 1HH1 ARG 75 HH11 ARG 75 14.598 6.775 1.229 626 2HH1 ARG 75 HH12 ARG 75 15.795 7.813 0.529 627 1HH2 ARG 75 HH21 ARG 75 14.628 7.430 -2.746 628 2HH2 ARG 75 HH22 ARG 75 15.812 8.185 -1.733 629 H TRP 76 HN TRP 76 10.171 3.493 1.661 630 HA TRP 76 HA TRP 76 8.281 3.696 -0.521 631 1HB TRP 76 HB2 TRP 76 8.197 4.535 2.379 632 2HB TRP 76 HB1 TRP 76 6.913 4.942 1.251 633 HD1 TRP 76 HD1 TRP 76 8.015 2.282 3.561 634 HE1 TRP 76 HE1 TRP 76 6.471 0.235 3.366 635 HE3 TRP 76 HE3 TRP 76 5.527 3.556 -0.714 636 HZ2 TRP 76 HZ2 TRP 76 4.462 -0.715 1.629 637 HZ3 TRP 76 HZ3 TRP 76 3.807 2.021 -1.577 638 HH2 TRP 76 HH2 TRP 76 3.287 -0.068 -0.429 639 H LYS 77 HN LYS 77 7.441 5.625 -1.361 640 HA LYS 77 HA LYS 77 8.567 8.153 -0.532 641 1HB LYS 77 HB1 LYS 77 8.793 8.052 -3.416 642 2HB LYS 77 HB2 LYS 77 9.980 8.553 -2.223 643 1HG LYS 77 HG2 LYS 77 10.945 6.457 -2.107 644 2HG LYS 77 HG1 LYS 77 9.507 5.648 -2.735 645 1HD LYS 77 HD2 LYS 77 9.907 6.693 -4.931 646 2HD LYS 77 HD1 LYS 77 11.377 7.431 -4.293 647 1HE LYS 77 HE2 LYS 77 11.542 5.220 -5.634 648 2HE LYS 77 HE1 LYS 77 12.494 5.415 -4.163 649 1HZ LYS 77 HZ1 LYS 77 11.131 3.990 -2.991 650 2HZ LYS 77 HZ2 LYS 77 11.161 3.259 -4.516 651 3HZ LYS 77 HZ3 LYS 77 9.823 4.179 -4.045 652 H VAL 78 HN VAL 78 6.766 9.286 -0.270 653 HA VAL 78 HA VAL 78 4.606 8.936 -2.207 654 HB VAL 78 HB VAL 78 3.071 9.828 -0.640 655 1HG1 VAL 78 HG21 VAL 78 2.987 7.852 0.360 656 2HG1 VAL 78 HG22 VAL 78 4.299 8.329 1.439 657 3HG1 VAL 78 HG23 VAL 78 4.663 7.553 -0.101 658 1HG2 VAL 78 HG11 VAL 78 3.731 11.476 0.683 659 2HG2 VAL 78 HG12 VAL 78 5.429 11.022 0.534 660 3HG2 VAL 78 HG13 VAL 78 4.409 10.238 1.739 661 H LEU 79 HN LEU 79 4.362 10.369 -3.750 662 HA LEU 79 HA LEU 79 5.957 12.758 -3.764 663 1HB LEU 79 HB2 LEU 79 3.981 11.637 -5.749 664 2HB LEU 79 HB1 LEU 79 4.947 13.073 -6.030 665 HG LEU 79 HG LEU 79 7.000 11.703 -5.839 666 1HD1 LEU 79 HD21 LEU 79 5.018 9.476 -5.475 667 2HD1 LEU 79 HD22 LEU 79 6.370 9.922 -4.432 668 3HD1 LEU 79 HD23 LEU 79 6.675 9.205 -6.013 669 1HD2 LEU 79 HD11 LEU 79 4.971 11.485 -7.911 670 2HD2 LEU 79 HD12 LEU 79 6.096 10.128 -7.902 671 3HD2 LEU 79 HD13 LEU 79 6.705 11.777 -8.048 672 H GLU 80 HN GLU 80 2.713 11.986 -2.940 673 HA GLU 80 HA GLU 80 2.174 14.817 -2.458 674 1HB GLU 80 HB2 GLU 80 0.579 13.007 -4.234 675 2HB GLU 80 HB1 GLU 80 -0.222 14.302 -3.355 676 1HG GLU 80 HG2 GLU 80 2.133 15.278 -4.692 677 2HG GLU 80 HG1 GLU 80 1.052 14.465 -5.825 678 HA PRO 81 HA PRO 81 0.351 13.746 1.433 679 1HB PRO 81 HB2 PRO 81 -2.172 14.853 0.244 680 2HB PRO 81 HB1 PRO 81 -1.478 15.125 1.847 681 1HG PRO 81 HG2 PRO 81 -1.180 16.954 -0.053 682 2HG PRO 81 HG1 PRO 81 0.164 16.565 1.033 683 1HD PRO 81 HD1 PRO 81 -0.229 15.846 -1.827 684 2HD PRO 81 HD2 PRO 81 1.274 16.135 -0.929 685 H VAL 82 HN VAL 82 0.165 11.598 1.632 686 HA VAL 82 HA VAL 82 -1.757 10.185 -0.045 687 HB VAL 82 HB VAL 82 0.913 9.675 0.737 688 1HG1 VAL 82 HG21 VAL 82 -0.713 7.270 1.474 689 2HG1 VAL 82 HG22 VAL 82 -0.200 8.441 2.688 690 3HG1 VAL 82 HG23 VAL 82 1.004 7.578 1.734 691 1HG2 VAL 82 HG11 VAL 82 -1.116 8.348 -0.994 692 2HG2 VAL 82 HG12 VAL 82 0.466 7.604 -0.749 693 3HG2 VAL 82 HG13 VAL 82 0.351 9.224 -1.438 694 H ARG 83 HN ARG 83 -3.191 8.674 0.734 695 HA ARG 83 HA ARG 83 -3.626 8.512 3.623 696 1HB ARG 83 HB2 ARG 83 -5.738 9.190 1.568 697 2HB ARG 83 HB1 ARG 83 -6.107 8.662 3.204 698 1HG ARG 83 HG1 ARG 83 -4.246 10.820 3.323 699 2HG ARG 83 HG2 ARG 83 -5.600 11.274 2.286 700 1HD ARG 83 HD1 ARG 83 -6.003 10.024 4.987 701 2HD ARG 83 HD2 ARG 83 -5.817 11.766 4.780 702 HE ARG 83 HE ARG 83 -8.139 10.217 4.219 703 1HH1 ARG 83 HH11 ARG 83 -6.336 13.016 3.198 704 2HH1 ARG 83 HH12 ARG 83 -7.715 13.822 2.528 705 1HH2 ARG 83 HH21 ARG 83 -9.961 11.267 3.340 706 2HH2 ARG 83 HH22 ARG 83 -9.777 12.827 2.609 707 H LYS 84 HN LYS 84 -3.342 6.391 4.023 708 HA LYS 84 HA LYS 84 -4.284 4.497 1.981 709 1HB LYS 84 HB1 LYS 84 -1.901 4.445 2.177 710 2HB LYS 84 HB2 LYS 84 -1.987 4.352 3.930 711 1HG LYS 84 HG2 LYS 84 -2.977 2.120 3.758 712 2HG LYS 84 HG1 LYS 84 -2.860 2.216 1.999 713 1HD LYS 84 HD2 LYS 84 -0.384 2.744 3.528 714 2HD LYS 84 HD1 LYS 84 -0.975 1.082 3.525 715 1HE LYS 84 HE2 LYS 84 -0.717 0.856 1.238 716 2HE LYS 84 HE1 LYS 84 -0.781 2.595 0.957 717 1HZ LYS 84 HZ1 LYS 84 1.451 1.758 0.654 718 2HZ LYS 84 HZ2 LYS 84 1.466 1.118 2.219 719 3HZ LYS 84 HZ3 LYS 84 1.403 2.793 1.991 720 H HIS 85 HN HIS 85 -5.293 2.614 2.537 721 HA HIS 85 HA HIS 85 -6.499 2.553 5.209 722 1HB HIS 85 HB1 HIS 85 -7.332 1.306 2.588 723 2HB HIS 85 HB2 HIS 85 -8.070 0.867 4.126 724 HD1 HIS 85 HD1 HIS 85 -10.118 2.160 4.652 725 HD2 HIS 85 HD2 HIS 85 -7.507 4.286 2.229 726 HE1 HIS 85 HE1 HIS 85 -11.284 4.333 4.159 727 HE2 HIS 85 HE2 HIS 85 -9.684 5.609 2.688 728 H TYR 86 HN TYR 86 -6.779 0.351 6.154 729 HA TYR 86 HA TYR 86 -4.341 -1.214 5.617 730 1HB TYR 86 HB2 TYR 86 -5.668 -0.351 8.148 731 2HB TYR 86 HB1 TYR 86 -4.597 -1.752 8.146 732 HD1 TYR 86 HD1 TYR 86 -4.759 1.691 8.647 733 HD2 TYR 86 HD2 TYR 86 -2.277 -1.302 6.931 734 HE1 TYR 86 HE1 TYR 86 -2.828 3.182 8.864 735 HE2 TYR 86 HE2 TYR 86 -0.330 0.175 7.140 736 HH TYR 86 HH TYR 86 -0.543 3.431 7.668 737 H ASN 87 HN ASN 87 -4.314 -3.436 6.187 738 HA ASN 87 HA ASN 87 -6.654 -4.893 6.862 739 1HB ASN 87 HB1 ASN 87 -7.156 -4.253 4.478 740 2HB ASN 87 HB2 ASN 87 -5.741 -5.181 3.991 741 1HD2 ASN 87 HD22 ASN 87 -8.073 -5.862 2.907 742 2HD2 ASN 87 HD21 ASN 87 -8.660 -7.348 3.567 743 H LEU 88 HN LEU 88 -4.739 -5.335 8.303 744 HA LEU 88 HA LEU 88 -2.749 -7.137 7.173 745 1HB LEU 88 HB1 LEU 88 -2.857 -6.595 10.092 746 2HB LEU 88 HB2 LEU 88 -1.470 -6.770 9.034 747 HG LEU 88 HG LEU 88 -3.243 -4.331 8.965 748 1HD1 LEU 88 HD21 LEU 88 -2.185 -3.378 10.696 749 2HD1 LEU 88 HD22 LEU 88 -0.639 -4.127 10.295 750 3HD1 LEU 88 HD23 LEU 88 -1.859 -5.042 11.182 751 1HD2 LEU 88 HD11 LEU 88 -0.399 -4.771 8.086 752 2HD2 LEU 88 HD12 LEU 88 -1.364 -3.311 7.867 753 3HD2 LEU 88 HD13 LEU 88 -1.803 -4.793 7.020 754 H PHE 89 HN PHE 89 -2.431 -9.266 7.847 755 HA PHE 89 HA PHE 89 -4.012 -10.556 9.801 756 1HB PHE 89 HB2 PHE 89 -5.305 -12.025 8.193 757 2HB PHE 89 HB1 PHE 89 -5.862 -10.358 8.312 758 HD1 PHE 89 HD1 PHE 89 -5.745 -8.876 6.452 759 HD2 PHE 89 HD2 PHE 89 -4.076 -12.783 6.209 760 HE1 PHE 89 HE1 PHE 89 -5.535 -8.632 4.012 761 HE2 PHE 89 HE2 PHE 89 -3.862 -12.546 3.771 762 HZ PHE 89 HZ PHE 89 -4.592 -10.467 2.669
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