NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
511287 | 2ld9 | 15410 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 0 H GLY 0 2.097 2.538 3.034 2 HA2 GLY 0 2HA GLY 0 3.835 3.104 1.643 3 HA3 GLY 0 3HA GLY 0 3.489 1.632 0.748 4 H MET 1 H MET 1 4.346 3.675 -0.713 5 HA MET 1 HA MET 1 2.015 4.321 -2.315 6 HB2 MET 1 2HB MET 1 2.611 6.722 -2.459 7 HB3 MET 1 3HB MET 1 2.099 6.242 -0.846 8 HG2 MET 1 2HG MET 1 4.890 5.913 -0.934 9 HG3 MET 1 3HG MET 1 4.536 7.470 -1.679 10 HE1 MET 1 3HE MET 1 5.518 5.699 0.983 11 HE2 MET 1 1HE MET 1 5.593 6.927 2.248 12 HE3 MET 1 2HE MET 1 4.292 5.737 2.251 13 H GLN 2 H GLN 2 3.655 2.544 -3.200 14 HA GLN 2 HA GLN 2 5.914 3.666 -4.608 15 HB2 GLN 2 2HB GLN 2 4.699 0.900 -4.714 16 HB3 GLN 2 3HB GLN 2 6.211 1.373 -5.477 17 HG2 GLN 2 2HG GLN 2 7.360 1.196 -3.576 18 HG3 GLN 2 3HG GLN 2 6.106 2.001 -2.634 19 HE21 GLN 2 1HE2 GLN 2 3.977 0.431 -2.826 20 HE22 GLN 2 2HE2 GLN 2 4.295 -1.147 -2.200 21 H ILE 3 H ILE 3 6.143 3.830 -6.847 22 HA ILE 3 HA ILE 3 3.640 3.673 -8.393 23 HB ILE 3 HB ILE 3 5.757 5.761 -8.873 24 HG12 ILE 3 2HG1 ILE 3 3.762 7.212 -7.836 25 HG13 ILE 3 3HG1 ILE 3 3.497 5.721 -6.938 26 HG21 ILE 3 1HG2 ILE 3 3.761 6.877 -9.989 27 HG22 ILE 3 2HG2 ILE 3 4.438 5.461 -10.793 28 HG23 ILE 3 3HG2 ILE 3 2.953 5.315 -9.852 29 HD11 ILE 3 3HD1 ILE 3 6.167 7.082 -7.059 30 HD12 ILE 3 1HD1 ILE 3 4.952 7.459 -5.839 31 HD13 ILE 3 2HD1 ILE 3 5.624 5.832 -5.941 32 H PHE 4 H PHE 4 3.926 3.397 -10.707 33 HA PHE 4 HA PHE 4 6.501 2.164 -11.424 34 HB2 PHE 4 2HB PHE 4 3.965 0.887 -11.229 35 HB3 PHE 4 3HB PHE 4 4.397 0.961 -12.934 36 HD1 PHE 4 HD2 PHE 4 5.630 -0.123 -9.612 37 HD2 PHE 4 HD1 PHE 4 5.964 -0.513 -13.838 38 HE1 PHE 4 HE2 PHE 4 7.125 -2.054 -9.313 39 HE2 PHE 4 HE1 PHE 4 7.459 -2.445 -13.545 40 HZ PHE 4 HZ PHE 4 8.043 -3.217 -11.280 41 H VAL 5 H VAL 5 7.321 2.675 -13.389 42 HA VAL 5 HA VAL 5 5.671 4.390 -15.130 43 HB VAL 5 HB VAL 5 7.813 5.502 -15.815 44 HG11 VAL 5 1HG1 VAL 5 6.343 5.801 -13.333 45 HG12 VAL 5 2HG1 VAL 5 7.988 6.431 -13.213 46 HG13 VAL 5 3HG1 VAL 5 6.903 7.028 -14.469 47 HG21 VAL 5 3HG2 VAL 5 9.797 4.847 -15.042 48 HG22 VAL 5 1HG2 VAL 5 9.227 4.865 -13.373 49 HG23 VAL 5 2HG2 VAL 5 8.980 3.434 -14.373 50 H LYS 6 H LYS 6 5.500 3.787 -17.196 51 HA LYS 6 HA LYS 6 7.178 1.554 -18.117 52 HB2 LYS 6 2HB LYS 6 4.535 2.476 -19.253 53 HB3 LYS 6 3HB LYS 6 5.405 1.004 -19.662 54 HG2 LYS 6 2HG LYS 6 5.015 0.102 -17.466 55 HG3 LYS 6 3HG LYS 6 4.273 1.615 -16.940 56 HD2 LYS 6 2HD LYS 6 2.389 0.425 -17.441 57 HD3 LYS 6 3HD LYS 6 2.705 1.144 -19.022 58 HE2 LYS 6 2HE LYS 6 4.091 -0.992 -19.456 59 HE3 LYS 6 3HE LYS 6 3.207 -1.658 -18.084 60 HZ1 LYS 6 3HZ LYS 6 1.701 -0.365 -20.245 61 HZ2 LYS 6 1HZ LYS 6 1.239 -1.627 -19.217 62 HZ3 LYS 6 2HZ LYS 6 2.304 -1.925 -20.497 63 H THR 7 H THR 7 8.316 1.677 -20.003 64 HA THR 7 HA THR 7 8.488 4.345 -21.223 65 HB THR 7 HB THR 7 10.550 2.426 -22.008 66 HG1 THR 7 HG1 THR 7 9.915 2.760 -19.329 67 HG21 THR 7 3HG2 THR 7 11.749 4.309 -22.189 68 HG22 THR 7 1HG2 THR 7 11.359 4.811 -20.544 69 HG23 THR 7 2HG2 THR 7 10.243 5.167 -21.863 70 H LEU 8 H LEU 8 9.684 3.781 -23.600 71 HA LEU 8 HA LEU 8 7.484 2.563 -25.078 72 HB2 LEU 8 2HB LEU 8 7.918 4.077 -26.642 73 HB3 LEU 8 3HB LEU 8 9.042 4.806 -25.497 74 HG LEU 8 HG LEU 8 9.882 2.688 -27.462 75 HD11 LEU 8 1HD1 LEU 8 9.599 4.160 -29.101 76 HD12 LEU 8 2HD1 LEU 8 10.862 5.131 -28.343 77 HD13 LEU 8 3HD1 LEU 8 9.167 5.441 -27.969 78 HD21 LEU 8 3HD2 LEU 8 12.043 3.207 -26.869 79 HD22 LEU 8 1HD2 LEU 8 11.208 3.409 -25.329 80 HD23 LEU 8 2HD2 LEU 8 11.616 4.822 -26.303 81 H THR 9 H THR 9 10.597 1.783 -23.987 82 HA THR 9 HA THR 9 11.121 -0.148 -26.102 83 HB THR 9 HB THR 9 13.204 -0.634 -24.857 84 HG1 THR 9 HG1 THR 9 11.887 0.803 -22.926 85 HG21 THR 9 3HG2 THR 9 14.321 1.263 -25.564 86 HG22 THR 9 1HG2 THR 9 13.032 2.346 -25.042 87 HG23 THR 9 2HG2 THR 9 12.827 1.368 -26.495 88 H GLY 10 H GLY 10 8.975 -0.223 -23.806 89 HA2 GLY 10 2HA GLY 10 7.828 -1.984 -22.851 90 HA3 GLY 10 3HA GLY 10 9.001 -3.079 -23.567 91 H LYS 11 H LYS 11 10.248 -0.509 -21.663 92 HA LYS 11 HA LYS 11 10.995 -2.443 -19.591 93 HB2 LYS 11 2HB LYS 11 12.338 -0.247 -20.882 94 HB3 LYS 11 3HB LYS 11 12.309 0.012 -19.142 95 HG2 LYS 11 2HG LYS 11 14.320 -1.143 -19.710 96 HG3 LYS 11 3HG LYS 11 13.263 -2.259 -18.842 97 HD2 LYS 11 2HD LYS 11 12.535 -3.199 -21.007 98 HD3 LYS 11 3HD LYS 11 13.671 -2.127 -21.830 99 HE2 LYS 11 2HE LYS 11 15.081 -3.492 -19.781 100 HE3 LYS 11 3HE LYS 11 14.146 -4.685 -20.681 101 HZ1 LYS 11 3HZ LYS 11 15.110 -3.666 -22.739 102 HZ2 LYS 11 1HZ LYS 11 16.220 -4.481 -21.756 103 HZ3 LYS 11 2HZ LYS 11 16.161 -2.790 -21.744 104 H THR 12 H THR 12 10.473 -2.185 -17.469 105 HA THR 12 HA THR 12 8.748 0.111 -16.800 106 HB THR 12 HB THR 12 7.469 -1.288 -15.311 107 HG1 THR 12 HG1 THR 12 9.103 -2.721 -14.635 108 HG21 THR 12 3HG2 THR 12 7.717 -2.952 -17.794 109 HG22 THR 12 1HG2 THR 12 7.075 -1.312 -17.866 110 HG23 THR 12 2HG2 THR 12 6.270 -2.531 -16.879 111 H ILE 13 H ILE 13 9.337 1.317 -15.108 112 HA ILE 13 HA ILE 13 11.372 0.233 -13.271 113 HB ILE 13 HB ILE 13 11.140 3.115 -14.142 114 HG12 ILE 13 2HG1 ILE 13 13.285 1.127 -14.899 115 HG13 ILE 13 3HG1 ILE 13 11.910 1.502 -15.932 116 HG21 ILE 13 1HG2 ILE 13 13.543 3.029 -13.103 117 HG22 ILE 13 2HG2 ILE 13 12.126 3.227 -12.072 118 HG23 ILE 13 3HG2 ILE 13 12.888 1.644 -12.228 119 HD11 ILE 13 3HD1 ILE 13 12.834 3.394 -16.645 120 HD12 ILE 13 1HD1 ILE 13 13.335 3.869 -15.022 121 HD13 ILE 13 2HD1 ILE 13 14.334 2.763 -15.966 122 H THR 14 H THR 14 11.275 0.911 -11.101 123 HA THR 14 HA THR 14 8.661 2.020 -10.307 124 HB THR 14 HB THR 14 8.893 -0.296 -9.593 125 HG1 THR 14 HG1 THR 14 9.301 1.300 -7.284 126 HG21 THR 14 3HG2 THR 14 10.638 -0.916 -7.944 127 HG22 THR 14 1HG2 THR 14 11.393 0.658 -8.193 128 HG23 THR 14 2HG2 THR 14 11.303 -0.498 -9.523 129 H LEU 15 H LEU 15 8.586 3.689 -8.878 130 HA LEU 15 HA LEU 15 11.079 4.582 -7.625 131 HB2 LEU 15 2HB LEU 15 9.762 5.864 -9.823 132 HB3 LEU 15 3HB LEU 15 9.698 6.908 -8.405 133 HG LEU 15 HG LEU 15 11.619 7.399 -9.856 134 HD11 LEU 15 1HD1 LEU 15 12.806 6.218 -7.397 135 HD12 LEU 15 2HD1 LEU 15 11.580 7.473 -7.229 136 HD13 LEU 15 3HD1 LEU 15 13.060 7.803 -8.128 137 HD21 LEU 15 3HD2 LEU 15 13.135 5.875 -10.545 138 HD22 LEU 15 1HD2 LEU 15 11.801 4.752 -10.285 139 HD23 LEU 15 2HD2 LEU 15 13.044 4.945 -9.048 140 H GLU 16 H GLU 16 10.678 6.292 -5.967 141 HA GLU 16 HA GLU 16 8.004 6.017 -4.763 142 HB2 GLU 16 2HB GLU 16 9.543 4.623 -3.510 143 HB3 GLU 16 3HB GLU 16 10.678 5.958 -3.357 144 HG2 GLU 16 2HG GLU 16 9.055 7.182 -2.002 145 HG3 GLU 16 3HG GLU 16 7.922 5.840 -2.151 146 H VAL 17 H VAL 17 7.073 7.845 -4.016 147 HA VAL 17 HA VAL 17 8.632 10.228 -3.505 148 HB VAL 17 HB VAL 17 6.554 11.114 -5.233 149 HG11 VAL 17 1HG1 VAL 17 9.224 11.276 -6.339 150 HG12 VAL 17 2HG1 VAL 17 8.157 12.563 -5.774 151 HG13 VAL 17 3HG1 VAL 17 9.195 11.711 -4.630 152 HG21 VAL 17 3HG2 VAL 17 6.665 8.851 -6.215 153 HG22 VAL 17 1HG2 VAL 17 7.177 10.107 -7.343 154 HG23 VAL 17 2HG2 VAL 17 8.380 9.099 -6.539 155 H GLU 18 H GLU 18 6.811 12.139 -3.309 156 HA GLU 18 HA GLU 18 4.722 11.023 -1.555 157 HB2 GLU 18 2HB GLU 18 5.885 13.767 -1.182 158 HB3 GLU 18 3HB GLU 18 5.012 12.774 -0.024 159 HG2 GLU 18 2HG GLU 18 7.019 12.310 0.815 160 HG3 GLU 18 3HG GLU 18 7.190 11.225 -0.564 161 HA PRO 19 HA PRO 19 1.646 13.178 -3.819 162 HB2 PRO 19 2HB PRO 19 -0.029 14.042 -1.864 163 HB3 PRO 19 3HB PRO 19 0.102 12.344 -2.336 164 HG2 PRO 19 2HG PRO 19 1.358 13.769 -0.023 165 HG3 PRO 19 3HG PRO 19 0.587 12.173 -0.068 166 HD2 PRO 19 2HD PRO 19 3.275 12.494 -0.121 167 HD3 PRO 19 3HD PRO 19 2.457 11.155 -0.952 168 H SER 20 H SER 20 3.174 14.921 -1.179 169 HA SER 20 HA SER 20 2.247 17.496 -2.121 170 HB2 SER 20 2HB SER 20 2.798 16.718 0.343 171 HB3 SER 20 3HB SER 20 4.432 17.215 -0.097 172 HG SER 20 HG SER 20 2.242 18.919 -0.574 173 H ASP 21 H ASP 21 4.422 15.440 -3.312 174 HA ASP 21 HA ASP 21 6.659 17.205 -3.728 175 HB2 ASP 21 2HB ASP 21 6.549 14.561 -3.677 176 HB3 ASP 21 3HB ASP 21 6.232 14.765 -5.398 177 H THR 22 H THR 22 7.160 18.377 -5.522 178 HA THR 22 HA THR 22 5.019 18.662 -7.514 179 HB THR 22 HB THR 22 5.943 20.858 -8.021 180 HG1 THR 22 HG1 THR 22 7.880 21.431 -7.356 181 HG21 THR 22 3HG2 THR 22 4.599 21.553 -6.385 182 HG22 THR 22 1HG2 THR 22 5.971 21.471 -5.280 183 HG23 THR 22 2HG2 THR 22 4.896 20.084 -5.456 184 H ILE 23 H ILE 23 5.484 18.707 -9.724 185 HA ILE 23 HA ILE 23 7.393 16.901 -10.652 186 HB ILE 23 HB ILE 23 5.364 17.602 -11.912 187 HG12 ILE 23 2HG1 ILE 23 6.457 17.582 -14.147 188 HG13 ILE 23 3HG1 ILE 23 8.008 17.861 -13.361 189 HG21 ILE 23 1HG2 ILE 23 6.954 20.016 -12.741 190 HG22 ILE 23 2HG2 ILE 23 5.274 19.637 -13.117 191 HG23 ILE 23 3HG2 ILE 23 5.735 20.058 -11.468 192 HD11 ILE 23 3HD1 ILE 23 7.134 15.442 -14.037 193 HD12 ILE 23 1HD1 ILE 23 8.179 15.728 -12.646 194 HD13 ILE 23 2HD1 ILE 23 6.440 15.545 -12.419 195 H GLU 24 H GLU 24 7.666 20.269 -9.919 196 HA GLU 24 HA GLU 24 10.044 20.719 -11.465 197 HB2 GLU 24 2HB GLU 24 8.389 22.505 -10.810 198 HB3 GLU 24 3HB GLU 24 9.000 22.374 -9.167 199 HG2 GLU 24 2HG GLU 24 11.311 22.749 -10.455 200 HG3 GLU 24 3HG GLU 24 10.224 23.594 -11.556 201 H ASN 25 H ASN 25 9.292 19.939 -8.113 202 HA ASN 25 HA ASN 25 12.011 20.172 -7.223 203 HB2 ASN 25 2HB ASN 25 10.007 20.501 -5.745 204 HB3 ASN 25 3HB ASN 25 9.716 18.767 -5.843 205 HD21 ASN 25 1HD2 ASN 25 10.178 18.021 -3.890 206 HD22 ASN 25 2HD2 ASN 25 11.656 18.289 -3.037 207 H VAL 26 H VAL 26 9.822 17.483 -7.978 208 HA VAL 26 HA VAL 26 11.490 15.364 -7.304 209 HB VAL 26 HB VAL 26 9.065 15.216 -7.990 210 HG11 VAL 26 1HG1 VAL 26 10.225 15.196 -10.774 211 HG12 VAL 26 2HG1 VAL 26 8.534 14.949 -10.333 212 HG13 VAL 26 3HG1 VAL 26 9.293 16.520 -10.075 213 HG21 VAL 26 3HG2 VAL 26 10.790 13.297 -7.779 214 HG22 VAL 26 1HG2 VAL 26 9.246 12.976 -8.569 215 HG23 VAL 26 2HG2 VAL 26 10.695 13.238 -9.539 216 H LYS 27 H LYS 27 11.599 17.516 -10.020 217 HA LYS 27 HA LYS 27 13.123 15.936 -11.789 218 HB2 LYS 27 2HB LYS 27 11.956 17.957 -12.517 219 HB3 LYS 27 3HB LYS 27 12.998 18.944 -11.500 220 HG2 LYS 27 2HG LYS 27 14.900 17.819 -12.926 221 HG3 LYS 27 3HG LYS 27 13.586 17.600 -14.084 222 HD2 LYS 27 2HD LYS 27 14.117 19.673 -14.763 223 HD3 LYS 27 3HD LYS 27 13.231 20.196 -13.328 224 HE2 LYS 27 2HE LYS 27 16.147 19.527 -13.175 225 HE3 LYS 27 3HE LYS 27 15.616 21.111 -13.738 226 HZ1 LYS 27 3HZ LYS 27 15.722 20.081 -11.081 227 HZ2 LYS 27 1HZ LYS 27 14.179 20.669 -11.452 228 HZ3 LYS 27 2HZ LYS 27 15.528 21.677 -11.607 229 H ALA 28 H ALA 28 14.010 18.062 -9.132 230 HA ALA 28 HA ALA 28 16.763 18.233 -9.607 231 HB1 ALA 28 1HB ALA 28 16.558 19.589 -7.866 232 HB2 ALA 28 2HB ALA 28 14.953 18.945 -7.516 233 HB3 ALA 28 3HB ALA 28 16.381 18.183 -6.816 234 H LYS 29 H LYS 29 14.852 15.805 -7.895 235 HA LYS 29 HA LYS 29 17.004 14.332 -6.833 236 HB2 LYS 29 2HB LYS 29 14.331 14.216 -6.528 237 HB3 LYS 29 3HB LYS 29 14.555 12.861 -7.626 238 HG2 LYS 29 2HG LYS 29 16.362 12.083 -5.981 239 HG3 LYS 29 3HG LYS 29 15.634 13.233 -4.858 240 HD2 LYS 29 2HD LYS 29 14.414 11.386 -4.318 241 HD3 LYS 29 3HD LYS 29 13.414 11.997 -5.637 242 HE2 LYS 29 2HE LYS 29 13.872 10.237 -6.942 243 HE3 LYS 29 3HE LYS 29 15.588 10.273 -6.537 244 HZ1 LYS 29 3HZ LYS 29 13.744 9.325 -4.481 245 HZ2 LYS 29 1HZ LYS 29 15.315 8.813 -4.845 246 HZ3 LYS 29 2HZ LYS 29 14.017 8.303 -5.802 247 H ILE 30 H ILE 30 15.312 14.164 -9.922 248 HA ILE 30 HA ILE 30 16.577 11.788 -10.829 249 HB ILE 30 HB ILE 30 15.308 14.001 -12.446 250 HG12 ILE 30 2HG1 ILE 30 13.796 12.933 -10.786 251 HG13 ILE 30 3HG1 ILE 30 13.311 12.622 -12.449 252 HG21 ILE 30 1HG2 ILE 30 16.425 12.874 -14.075 253 HG22 ILE 30 2HG2 ILE 30 16.473 11.370 -13.156 254 HG23 ILE 30 3HG2 ILE 30 14.990 11.854 -13.977 255 HD11 ILE 30 3HD1 ILE 30 13.162 10.670 -10.892 256 HD12 ILE 30 1HD1 ILE 30 14.110 10.397 -12.354 257 HD13 ILE 30 2HD1 ILE 30 14.924 10.687 -10.816 258 H GLN 31 H GLN 31 17.268 15.232 -11.241 259 HA GLN 31 HA GLN 31 19.420 14.888 -13.054 260 HB2 GLN 31 2HB GLN 31 18.266 17.019 -12.863 261 HB3 GLN 31 3HB GLN 31 18.769 17.172 -11.185 262 HG2 GLN 31 2HG GLN 31 21.162 16.878 -12.422 263 HG3 GLN 31 3HG GLN 31 20.238 17.730 -13.657 264 HE21 GLN 31 1HE2 GLN 31 19.137 19.712 -12.970 265 HE22 GLN 31 2HE2 GLN 31 19.895 20.707 -11.780 266 H ASP 32 H ASP 32 19.183 14.948 -9.558 267 HA ASP 32 HA ASP 32 22.009 15.082 -9.108 268 HB2 ASP 32 2HB ASP 32 19.575 14.801 -7.447 269 HB3 ASP 32 3HB ASP 32 21.047 14.103 -6.776 270 H LYS 33 H LYS 33 19.981 12.657 -10.194 271 HA LYS 33 HA LYS 33 21.712 10.527 -9.138 272 HB2 LYS 33 2HB LYS 33 19.124 10.505 -8.887 273 HB3 LYS 33 3HB LYS 33 19.125 10.043 -10.584 274 HG2 LYS 33 2HG LYS 33 20.477 8.086 -10.064 275 HG3 LYS 33 3HG LYS 33 20.513 8.555 -8.363 276 HD2 LYS 33 2HD LYS 33 18.486 7.693 -7.985 277 HD3 LYS 33 3HD LYS 33 17.811 8.448 -9.432 278 HE2 LYS 33 2HE LYS 33 17.673 6.380 -10.262 279 HE3 LYS 33 3HE LYS 33 19.423 6.466 -10.455 280 HZ1 LYS 33 3HZ LYS 33 19.001 4.494 -9.287 281 HZ2 LYS 33 1HZ LYS 33 17.894 5.233 -8.242 282 HZ3 LYS 33 2HZ LYS 33 19.543 5.582 -8.111 283 H GLU 34 H GLU 34 20.250 11.775 -12.113 284 HA GLU 34 HA GLU 34 22.291 10.289 -13.634 285 HB2 GLU 34 2HB GLU 34 19.469 10.967 -14.481 286 HB3 GLU 34 3HB GLU 34 20.680 10.222 -15.515 287 HG2 GLU 34 2HG GLU 34 20.047 8.903 -12.934 288 HG3 GLU 34 3HG GLU 34 18.867 8.798 -14.239 289 H GLY 35 H GLY 35 20.474 13.265 -13.254 290 HA2 GLY 35 2HA GLY 35 21.154 15.423 -13.768 291 HA3 GLY 35 3HA GLY 35 22.602 14.756 -14.507 292 H ILE 36 H ILE 36 19.576 13.459 -15.508 293 HA ILE 36 HA ILE 36 19.997 14.494 -18.178 294 HB ILE 36 HB ILE 36 17.735 12.750 -17.205 295 HG12 ILE 36 2HG1 ILE 36 20.343 11.883 -18.467 296 HG13 ILE 36 3HG1 ILE 36 19.995 11.779 -16.744 297 HG21 ILE 36 1HG2 ILE 36 17.636 14.012 -19.448 298 HG22 ILE 36 2HG2 ILE 36 18.854 12.854 -19.980 299 HG23 ILE 36 3HG2 ILE 36 17.276 12.285 -19.438 300 HD11 ILE 36 3HD1 ILE 36 17.857 10.488 -17.831 301 HD12 ILE 36 1HD1 ILE 36 19.158 10.053 -18.939 302 HD13 ILE 36 2HD1 ILE 36 19.315 9.711 -17.216 303 HA PRO 37 HA PRO 37 17.292 17.958 -17.251 304 HB2 PRO 37 2HB PRO 37 17.751 19.242 -19.599 305 HB3 PRO 37 3HB PRO 37 18.879 19.294 -18.239 306 HG2 PRO 37 2HG PRO 37 18.961 17.598 -20.705 307 HG3 PRO 37 3HG PRO 37 20.282 18.464 -19.898 308 HD2 PRO 37 2HD PRO 37 19.880 15.804 -19.588 309 HD3 PRO 37 3HD PRO 37 20.547 16.825 -18.299 310 HA PRO 38 HA PRO 38 13.761 16.247 -19.390 311 HB2 PRO 38 2HB PRO 38 11.930 17.901 -18.259 312 HB3 PRO 38 3HB PRO 38 12.624 16.514 -17.412 313 HG2 PRO 38 2HG PRO 38 13.362 19.409 -17.227 314 HG3 PRO 38 3HG PRO 38 13.182 18.216 -15.928 315 HD2 PRO 38 2HD PRO 38 15.597 18.946 -16.911 316 HD3 PRO 38 3HD PRO 38 15.270 17.312 -16.298 317 H ASP 39 H ASP 39 15.415 18.068 -20.830 318 HA ASP 39 HA ASP 39 13.658 20.148 -21.844 319 HB2 ASP 39 2HB ASP 39 16.532 19.521 -22.010 320 HB3 ASP 39 3HB ASP 39 15.841 20.200 -23.480 321 H GLN 40 H GLN 40 14.919 17.026 -22.799 322 HA GLN 40 HA GLN 40 13.434 17.224 -25.333 323 HB2 GLN 40 2HB GLN 40 15.752 15.448 -24.558 324 HB3 GLN 40 3HB GLN 40 14.864 15.305 -26.069 325 HG2 GLN 40 2HG GLN 40 15.586 17.461 -26.784 326 HG3 GLN 40 3HG GLN 40 16.292 17.805 -25.206 327 HE21 GLN 40 1HE2 GLN 40 16.586 15.887 -28.116 328 HE22 GLN 40 2HE2 GLN 40 18.260 15.504 -27.927 329 H GLN 41 H GLN 41 13.026 16.131 -22.310 330 HA GLN 41 HA GLN 41 11.684 13.642 -23.104 331 HB2 GLN 41 2HB GLN 41 12.219 14.592 -20.292 332 HB3 GLN 41 3HB GLN 41 11.766 12.975 -20.812 333 HG2 GLN 41 2HG GLN 41 13.933 12.821 -22.016 334 HG3 GLN 41 3HG GLN 41 14.381 14.373 -21.311 335 HE21 GLN 41 1HE2 GLN 41 13.645 14.258 -18.783 336 HE22 GLN 41 2HE2 GLN 41 14.408 12.952 -17.948 337 H ARG 42 H ARG 42 9.529 13.476 -23.088 338 HA ARG 42 HA ARG 42 7.986 15.652 -21.834 339 HB2 ARG 42 2HB ARG 42 6.437 14.515 -23.905 340 HB3 ARG 42 3HB ARG 42 7.117 16.135 -23.829 341 HG2 ARG 42 2HG ARG 42 9.128 15.389 -24.931 342 HG3 ARG 42 3HG ARG 42 8.553 13.721 -24.913 343 HD2 ARG 42 2HD ARG 42 7.480 14.049 -26.828 344 HD3 ARG 42 3HD ARG 42 6.552 15.361 -26.102 345 HE ARG 42 HE ARG 42 9.056 16.376 -26.765 346 HH11 ARG 42 1HH1 ARG 42 6.262 15.060 -28.372 347 HH12 ARG 42 2HH1 ARG 42 6.502 15.977 -29.822 348 HH21 ARG 42 1HH2 ARG 42 9.383 17.589 -28.669 349 HH22 ARG 42 2HH2 ARG 42 8.278 17.414 -29.990 350 H LEU 43 H LEU 43 6.894 14.899 -20.151 351 HA LEU 43 HA LEU 43 6.185 12.085 -19.991 352 HB2 LEU 43 2HB LEU 43 5.816 14.328 -18.010 353 HB3 LEU 43 3HB LEU 43 5.486 12.625 -17.699 354 HG LEU 43 HG LEU 43 8.233 13.470 -18.519 355 HD11 LEU 43 1HD1 LEU 43 8.640 13.548 -15.960 356 HD12 LEU 43 2HD1 LEU 43 6.922 13.937 -15.874 357 HD13 LEU 43 3HD1 LEU 43 8.017 14.978 -16.783 358 HD21 LEU 43 3HD2 LEU 43 8.131 11.177 -18.406 359 HD22 LEU 43 1HD2 LEU 43 6.946 11.184 -17.099 360 HD23 LEU 43 2HD2 LEU 43 8.633 11.572 -16.761 361 H ILE 44 H ILE 44 4.226 11.283 -20.384 362 HA ILE 44 HA ILE 44 1.937 13.133 -20.465 363 HB ILE 44 HB ILE 44 1.034 11.677 -22.339 364 HG12 ILE 44 2HG1 ILE 44 3.841 10.998 -23.047 365 HG13 ILE 44 3HG1 ILE 44 3.073 10.021 -21.800 366 HG21 ILE 44 1HG2 ILE 44 3.522 13.209 -23.053 367 HG22 ILE 44 2HG2 ILE 44 2.067 12.989 -24.023 368 HG23 ILE 44 3HG2 ILE 44 2.015 13.984 -22.568 369 HD11 ILE 44 3HD1 ILE 44 2.180 8.807 -23.415 370 HD12 ILE 44 1HD1 ILE 44 1.198 10.204 -23.855 371 HD13 ILE 44 2HD1 ILE 44 2.750 9.933 -24.647 372 H PHE 45 H PHE 45 0.020 12.376 -19.665 373 HA PHE 45 HA PHE 45 -0.317 9.580 -19.012 374 HB2 PHE 45 2HB PHE 45 0.946 10.325 -17.073 375 HB3 PHE 45 3HB PHE 45 -0.157 11.677 -16.838 376 HD1 PHE 45 HD2 PHE 45 -2.501 11.239 -16.131 377 HD2 PHE 45 HD1 PHE 45 0.451 8.175 -16.238 378 HE1 PHE 45 HE2 PHE 45 -3.901 9.844 -14.667 379 HE2 PHE 45 HE1 PHE 45 -0.945 6.774 -14.775 380 HZ PHE 45 HZ PHE 45 -3.123 7.608 -13.986 381 H ALA 46 H ALA 46 -2.412 9.007 -19.074 382 HA ALA 46 HA ALA 46 -4.665 9.148 -19.366 383 HB1 ALA 46 1HB ALA 46 -5.102 9.886 -17.258 384 HB2 ALA 46 2HB ALA 46 -4.084 11.317 -17.426 385 HB3 ALA 46 3HB ALA 46 -5.684 11.281 -18.167 386 H GLY 47 H GLY 47 -2.790 10.488 -21.257 387 HA2 GLY 47 2HA GLY 47 -3.133 11.508 -23.307 388 HA3 GLY 47 3HA GLY 47 -4.804 11.797 -22.844 389 H LYS 48 H LYS 48 -2.978 12.917 -20.358 390 HA LYS 48 HA LYS 48 -2.993 15.648 -21.458 391 HB2 LYS 48 2HB LYS 48 -3.531 14.557 -18.721 392 HB3 LYS 48 3HB LYS 48 -2.945 16.206 -18.897 393 HG2 LYS 48 2HG LYS 48 -5.407 15.127 -20.252 394 HG3 LYS 48 3HG LYS 48 -5.410 16.018 -18.728 395 HD2 LYS 48 2HD LYS 48 -4.287 17.906 -19.915 396 HD3 LYS 48 3HD LYS 48 -4.502 17.018 -21.425 397 HE2 LYS 48 2HE LYS 48 -7.018 16.942 -20.469 398 HE3 LYS 48 3HE LYS 48 -6.472 18.465 -19.769 399 HZ1 LYS 48 3HZ LYS 48 -7.097 17.829 -22.497 400 HZ2 LYS 48 1HZ LYS 48 -5.605 18.610 -22.332 401 HZ3 LYS 48 2HZ LYS 48 -7.010 19.336 -21.732 402 H GLN 49 H GLN 49 -1.149 16.788 -21.528 403 HA GLN 49 HA GLN 49 1.324 15.472 -20.920 404 HB2 GLN 49 2HB GLN 49 0.465 17.867 -22.364 405 HB3 GLN 49 3HB GLN 49 1.973 18.091 -21.487 406 HG2 GLN 49 2HG GLN 49 2.847 16.045 -22.603 407 HG3 GLN 49 3HG GLN 49 1.376 16.011 -23.575 408 HE21 GLN 49 1HE2 GLN 49 0.965 18.567 -24.240 409 HE22 GLN 49 2HE2 GLN 49 2.283 19.187 -25.169 410 H LEU 50 H LEU 50 2.443 15.560 -19.090 411 HA LEU 50 HA LEU 50 1.515 16.852 -16.787 412 HB2 LEU 50 2HB LEU 50 3.755 15.197 -17.546 413 HB3 LEU 50 3HB LEU 50 4.253 16.457 -16.419 414 HG LEU 50 HG LEU 50 2.457 15.675 -14.868 415 HD11 LEU 50 1HD1 LEU 50 2.311 13.118 -16.368 416 HD12 LEU 50 2HD1 LEU 50 1.321 14.466 -16.927 417 HD13 LEU 50 3HD1 LEU 50 1.141 13.864 -15.279 418 HD21 LEU 50 3HD2 LEU 50 3.984 14.389 -13.870 419 HD22 LEU 50 1HD2 LEU 50 4.996 14.698 -15.281 420 HD23 LEU 50 2HD2 LEU 50 4.012 13.236 -15.205 421 H GLU 51 H GLU 51 1.443 18.963 -16.425 422 HA GLU 51 HA GLU 51 3.342 20.741 -17.734 423 HB2 GLU 51 2HB GLU 51 1.891 22.537 -16.699 424 HB3 GLU 51 3HB GLU 51 1.098 21.494 -17.871 425 HG2 GLU 51 2HG GLU 51 0.813 20.375 -15.257 426 HG3 GLU 51 3HG GLU 51 0.306 22.063 -15.239 427 H ASP 52 H ASP 52 4.703 22.166 -16.649 428 HA ASP 52 HA ASP 52 5.975 21.210 -14.356 429 HB2 ASP 52 2HB ASP 52 7.029 22.740 -15.983 430 HB3 ASP 52 3HB ASP 52 5.978 24.040 -15.428 431 H GLY 53 H GLY 53 3.132 23.114 -14.696 432 HA2 GLY 53 2HA GLY 53 3.246 24.104 -11.954 433 HA3 GLY 53 3HA GLY 53 2.005 24.470 -13.143 434 H ARG 54 H ARG 54 2.717 21.171 -13.007 435 HA ARG 54 HA ARG 54 0.236 20.693 -11.517 436 HB2 ARG 54 2HB ARG 54 0.062 19.628 -13.585 437 HB3 ARG 54 3HB ARG 54 1.750 19.136 -13.584 438 HG2 ARG 54 2HG ARG 54 -0.057 18.018 -11.504 439 HG3 ARG 54 3HG ARG 54 -0.177 17.408 -13.156 440 HD2 ARG 54 2HD ARG 54 2.497 17.361 -12.818 441 HD3 ARG 54 3HD ARG 54 1.969 17.083 -11.159 442 HE ARG 54 HE ARG 54 0.663 15.415 -13.110 443 HH11 ARG 54 1HH1 ARG 54 3.405 15.768 -10.994 444 HH12 ARG 54 2HH1 ARG 54 3.717 14.066 -10.900 445 HH21 ARG 54 1HH2 ARG 54 1.063 13.172 -12.994 446 HH22 ARG 54 2HH2 ARG 54 2.384 12.590 -12.039 447 H THR 55 H THR 55 0.136 19.265 -9.795 448 HA THR 55 HA THR 55 2.741 18.552 -8.616 449 HB THR 55 HB THR 55 0.397 18.567 -6.832 450 HG1 THR 55 HG1 THR 55 1.345 20.926 -8.104 451 HG21 THR 55 3HG2 THR 55 2.123 18.554 -5.420 452 HG22 THR 55 1HG2 THR 55 2.438 20.227 -5.880 453 HG23 THR 55 2HG2 THR 55 3.259 18.912 -6.721 454 H LEU 56 H LEU 56 2.780 16.598 -7.282 455 HA LEU 56 HA LEU 56 1.866 14.345 -8.634 456 HB2 LEU 56 2HB LEU 56 3.569 14.822 -6.553 457 HB3 LEU 56 3HB LEU 56 2.247 13.976 -5.752 458 HG LEU 56 HG LEU 56 4.042 12.450 -6.401 459 HD11 LEU 56 1HD1 LEU 56 2.401 11.167 -8.168 460 HD12 LEU 56 2HD1 LEU 56 1.280 12.238 -7.328 461 HD13 LEU 56 3HD1 LEU 56 2.263 11.097 -6.411 462 HD21 LEU 56 3HD2 LEU 56 5.056 12.498 -8.382 463 HD22 LEU 56 1HD2 LEU 56 4.192 14.004 -8.688 464 HD23 LEU 56 2HD2 LEU 56 3.521 12.474 -9.252 465 H SER 57 H SER 57 0.649 15.685 -5.560 466 HA SER 57 HA SER 57 -1.582 13.923 -5.447 467 HB2 SER 57 2HB SER 57 -0.575 15.027 -3.451 468 HB3 SER 57 3HB SER 57 -1.215 16.569 -4.021 469 HG SER 57 HG SER 57 -3.247 14.954 -4.052 470 H ASP 58 H ASP 58 -1.028 17.075 -6.831 471 HA ASP 58 HA ASP 58 -3.709 17.878 -7.155 472 HB2 ASP 58 2HB ASP 58 -1.940 19.495 -7.396 473 HB3 ASP 58 3HB ASP 58 -1.221 18.583 -8.720 474 H TYR 59 H TYR 59 -1.718 15.635 -8.886 475 HA TYR 59 HA TYR 59 -3.481 15.548 -11.189 476 HB2 TYR 59 2HB TYR 59 -0.808 15.013 -10.852 477 HB3 TYR 59 3HB TYR 59 -1.503 13.397 -10.913 478 HD1 TYR 59 HD2 TYR 59 -2.331 16.560 -12.727 479 HD2 TYR 59 HD1 TYR 59 -1.113 12.492 -13.002 480 HE1 TYR 59 HE2 TYR 59 -2.432 16.701 -15.180 481 HE2 TYR 59 HE1 TYR 59 -1.209 12.623 -15.456 482 HH TYR 59 HH TYR 59 -1.983 15.664 -17.104 483 H ASN 60 H ASN 60 -3.600 14.335 -8.129 484 HA ASN 60 HA ASN 60 -4.789 12.694 -7.097 485 HB2 ASN 60 2HB ASN 60 -6.319 13.513 -9.376 486 HB3 ASN 60 3HB ASN 60 -6.530 11.779 -9.146 487 HD21 ASN 60 1HD2 ASN 60 -8.184 11.276 -7.926 488 HD22 ASN 60 2HD2 ASN 60 -8.813 12.211 -6.616 489 H ILE 61 H ILE 61 -2.367 11.949 -8.423 490 HA ILE 61 HA ILE 61 -2.758 9.462 -9.791 491 HB ILE 61 HB ILE 61 -0.325 10.840 -8.684 492 HG12 ILE 61 2HG1 ILE 61 -1.564 11.447 -10.903 493 HG13 ILE 61 3HG1 ILE 61 0.192 11.331 -10.897 494 HG21 ILE 61 1HG2 ILE 61 -0.583 8.057 -9.761 495 HG22 ILE 61 2HG2 ILE 61 0.916 8.966 -9.945 496 HG23 ILE 61 3HG2 ILE 61 0.285 8.623 -8.335 497 HD11 ILE 61 3HD1 ILE 61 -1.165 10.229 -12.800 498 HD12 ILE 61 1HD1 ILE 61 0.195 9.362 -12.088 499 HD13 ILE 61 2HD1 ILE 61 -1.455 8.953 -11.619 500 H GLN 62 H GLN 62 -3.635 7.815 -8.695 501 HA GLN 62 HA GLN 62 -3.230 7.409 -5.895 502 HB2 GLN 62 2HB GLN 62 -4.598 5.863 -8.073 503 HB3 GLN 62 3HB GLN 62 -4.357 5.142 -6.487 504 HG2 GLN 62 2HG GLN 62 -5.625 6.911 -5.446 505 HG3 GLN 62 3HG GLN 62 -5.790 7.739 -6.993 506 HE21 GLN 62 1HE2 GLN 62 -7.294 7.045 -8.451 507 HE22 GLN 62 2HE2 GLN 62 -8.471 5.830 -8.101 508 H LYS 63 H LYS 63 -2.697 4.963 -5.280 509 HA LYS 63 HA LYS 63 0.075 4.630 -5.925 510 HB2 LYS 63 2HB LYS 63 -1.488 2.537 -4.472 511 HB3 LYS 63 3HB LYS 63 0.154 3.100 -4.190 512 HG2 LYS 63 2HG LYS 63 -0.723 4.183 -2.450 513 HG3 LYS 63 3HG LYS 63 -1.307 5.339 -3.649 514 HD2 LYS 63 2HD LYS 63 -3.350 3.771 -3.830 515 HD3 LYS 63 3HD LYS 63 -2.788 3.114 -2.291 516 HE2 LYS 63 2HE LYS 63 -3.106 6.067 -2.636 517 HE3 LYS 63 3HE LYS 63 -4.519 5.060 -2.321 518 HZ1 LYS 63 3HZ LYS 63 -3.439 6.024 -0.308 519 HZ2 LYS 63 1HZ LYS 63 -2.094 5.043 -0.614 520 HZ3 LYS 63 2HZ LYS 63 -3.595 4.339 -0.278 521 H GLU 64 H GLU 64 1.060 3.000 -7.080 522 HA GLU 64 HA GLU 64 1.290 1.232 -8.517 523 HB2 GLU 64 2HB GLU 64 -0.875 0.455 -7.080 524 HB3 GLU 64 3HB GLU 64 -1.585 0.579 -8.683 525 HG2 GLU 64 2HG GLU 64 0.935 -0.800 -8.798 526 HG3 GLU 64 3HG GLU 64 -0.140 -1.556 -7.624 527 H SER 65 H SER 65 0.514 4.013 -9.210 528 HA SER 65 HA SER 65 -1.123 3.825 -11.568 529 HB2 SER 65 2HB SER 65 -0.310 5.893 -9.879 530 HB3 SER 65 3HB SER 65 0.498 6.232 -11.409 531 HG SER 65 HG SER 65 -2.164 6.359 -10.760 532 H THR 66 H THR 66 -0.459 4.107 -13.714 533 HA THR 66 HA THR 66 2.397 3.556 -14.196 534 HB THR 66 HB THR 66 1.259 2.677 -16.480 535 HG1 THR 66 HG1 THR 66 -0.544 1.594 -14.643 536 HG21 THR 66 3HG2 THR 66 1.226 0.374 -15.223 537 HG22 THR 66 1HG2 THR 66 1.935 1.312 -13.910 538 HG23 THR 66 2HG2 THR 66 2.747 1.229 -15.474 539 H LEU 67 H LEU 67 3.442 5.139 -15.192 540 HA LEU 67 HA LEU 67 1.902 7.010 -16.866 541 HB2 LEU 67 2HB LEU 67 4.543 7.925 -16.123 542 HB3 LEU 67 3HB LEU 67 2.978 8.710 -15.920 543 HG LEU 67 HG LEU 67 4.020 6.609 -14.030 544 HD11 LEU 67 1HD1 LEU 67 4.068 9.523 -13.400 545 HD12 LEU 67 2HD1 LEU 67 5.400 8.808 -14.308 546 HD13 LEU 67 3HD1 LEU 67 5.004 8.203 -12.699 547 HD21 LEU 67 3HD2 LEU 67 2.172 8.666 -13.091 548 HD22 LEU 67 1HD2 LEU 67 2.134 6.917 -12.868 549 HD23 LEU 67 2HD2 LEU 67 1.500 7.630 -14.351 550 H HIS 68 H HIS 68 2.707 7.631 -18.871 551 HA HIS 68 HA HIS 68 4.462 5.688 -20.118 552 HB2 HIS 68 2HB HIS 68 3.147 8.072 -21.424 553 HB3 HIS 68 3HB HIS 68 3.761 6.618 -22.207 554 HD1 HIS 68 HD1 HIS 68 2.421 4.334 -21.233 555 HD2 HIS 68 HD2 HIS 68 0.470 8.001 -21.144 556 HE1 HIS 68 HE1 HIS 68 -0.028 3.789 -21.064 557 H LEU 69 H LEU 69 6.430 6.120 -21.073 558 HA LEU 69 HA LEU 69 7.600 8.760 -20.484 559 HB2 LEU 69 2HB LEU 69 9.105 6.154 -20.514 560 HB3 LEU 69 3HB LEU 69 9.695 7.731 -19.993 561 HG LEU 69 HG LEU 69 7.403 6.503 -18.533 562 HD11 LEU 69 1HD1 LEU 69 9.871 5.164 -18.883 563 HD12 LEU 69 2HD1 LEU 69 8.536 4.743 -17.811 564 HD13 LEU 69 3HD1 LEU 69 9.831 5.793 -17.236 565 HD21 LEU 69 3HD2 LEU 69 8.092 7.852 -16.787 566 HD22 LEU 69 1HD2 LEU 69 8.475 8.843 -18.194 567 HD23 LEU 69 2HD2 LEU 69 9.753 7.945 -17.374 568 H VAL 70 H VAL 70 8.108 9.834 -22.263 569 HA VAL 70 HA VAL 70 8.378 8.435 -24.795 570 HB VAL 70 HB VAL 70 8.617 11.406 -24.347 571 HG11 VAL 70 1HG1 VAL 70 7.482 11.137 -26.748 572 HG12 VAL 70 2HG1 VAL 70 9.232 11.136 -26.515 573 HG13 VAL 70 3HG1 VAL 70 8.363 9.611 -26.688 574 HG21 VAL 70 3HG2 VAL 70 6.226 11.569 -24.823 575 HG22 VAL 70 1HG2 VAL 70 6.110 9.810 -24.868 576 HG23 VAL 70 2HG2 VAL 70 6.518 10.629 -23.360 577 H LEU 71 H LEU 71 10.169 8.796 -26.233 578 HA LEU 71 HA LEU 71 12.686 9.340 -24.803 579 HB2 LEU 71 2HB LEU 71 12.354 6.986 -25.501 580 HB3 LEU 71 3HB LEU 71 12.264 7.529 -27.175 581 HG LEU 71 HG LEU 71 14.599 8.355 -26.976 582 HD11 LEU 71 1HD1 LEU 71 14.338 7.133 -24.247 583 HD12 LEU 71 2HD1 LEU 71 14.899 8.746 -24.685 584 HD13 LEU 71 3HD1 LEU 71 15.901 7.338 -25.038 585 HD21 LEU 71 3HD2 LEU 71 13.897 6.043 -27.800 586 HD22 LEU 71 1HD2 LEU 71 14.461 5.447 -26.239 587 HD23 LEU 71 2HD2 LEU 71 15.584 6.258 -27.331 588 H ARG 72 H ARG 72 14.376 10.375 -25.969 589 HA ARG 72 HA ARG 72 13.371 12.101 -28.123 590 HB2 ARG 72 2HB ARG 72 15.396 13.504 -27.554 591 HB3 ARG 72 3HB ARG 72 14.164 13.403 -26.303 592 HG2 ARG 72 2HG ARG 72 16.136 11.317 -25.999 593 HG3 ARG 72 3HG ARG 72 16.881 12.917 -26.021 594 HD2 ARG 72 2HD ARG 72 14.996 13.545 -24.359 595 HD3 ARG 72 3HD ARG 72 14.842 11.803 -24.133 596 HE ARG 72 HE ARG 72 16.924 13.491 -23.137 597 HH11 ARG 72 1HH1 ARG 72 16.167 10.261 -24.190 598 HH12 ARG 72 2HH1 ARG 72 17.424 9.521 -23.255 599 HH21 ARG 72 1HH2 ARG 72 18.582 12.529 -21.901 600 HH22 ARG 72 2HH2 ARG 72 18.796 10.812 -21.952 601 H LEU 73 H LEU 73 13.966 11.627 -30.123 602 HA LEU 73 HA LEU 73 16.227 9.855 -30.587 603 HB2 LEU 73 2HB LEU 73 13.831 10.695 -32.078 604 HB3 LEU 73 3HB LEU 73 15.270 10.417 -33.057 605 HG LEU 73 HG LEU 73 14.531 8.298 -31.121 606 HD11 LEU 73 1HD1 LEU 73 13.093 8.402 -33.740 607 HD12 LEU 73 2HD1 LEU 73 12.410 9.181 -32.313 608 HD13 LEU 73 3HD1 LEU 73 12.733 7.448 -32.300 609 HD21 LEU 73 3HD2 LEU 73 15.155 7.829 -33.980 610 HD22 LEU 73 1HD2 LEU 73 15.677 6.948 -32.544 611 HD23 LEU 73 2HD2 LEU 73 16.442 8.481 -32.964 612 H ARG 74 H ARG 74 18.016 10.362 -31.836 613 HA ARG 74 HA ARG 74 18.434 13.240 -32.306 614 HB2 ARG 74 2HB ARG 74 20.464 11.096 -31.655 615 HB3 ARG 74 3HB ARG 74 20.851 12.773 -32.019 616 HG2 ARG 74 2HG ARG 74 20.010 13.543 -30.015 617 HG3 ARG 74 3HG ARG 74 18.971 12.134 -29.791 618 HD2 ARG 74 2HD ARG 74 20.563 11.481 -28.346 619 HD3 ARG 74 3HD ARG 74 21.417 10.972 -29.802 620 HE ARG 74 HE ARG 74 21.945 13.697 -29.113 621 HH11 ARG 74 1HH1 ARG 74 22.806 10.393 -28.432 622 HH12 ARG 74 2HH1 ARG 74 24.396 10.787 -27.867 623 HH21 ARG 74 1HH2 ARG 74 24.036 14.228 -28.372 624 HH22 ARG 74 2HH2 ARG 74 25.094 12.969 -27.833 625 H GLY 75 H GLY 75 18.266 13.704 -34.400 626 HA2 GLY 75 2HA GLY 75 19.409 13.628 -36.543 627 HA3 GLY 75 3HA GLY 75 19.588 11.894 -36.320 628 H GLY 76 H GLY 76 17.807 14.290 -37.820 629 HA2 GLY 76 2HA GLY 76 16.223 12.709 -39.362 630 HA3 GLY 76 3HA GLY 76 15.272 12.920 -37.899 Start of MODEL 2 1 H1 GLY 0 H GLY 0 1.811 -0.001 0.854 2 HA2 GLY 0 2HA GLY 0 3.128 -0.036 -1.025 3 HA3 GLY 0 3HA GLY 0 1.802 -0.878 -1.814 4 H MET 1 H MET 1 2.776 2.390 -0.791 5 HA MET 1 HA MET 1 1.126 3.564 -2.876 6 HB2 MET 1 2HB MET 1 1.679 4.434 -0.405 7 HB3 MET 1 3HB MET 1 2.985 5.234 -1.269 8 HG2 MET 1 2HG MET 1 1.379 6.842 -1.378 9 HG3 MET 1 3HG MET 1 1.053 5.971 -2.875 10 HE1 MET 1 3HE MET 1 0.459 6.271 0.747 11 HE2 MET 1 1HE MET 1 -1.295 6.322 0.925 12 HE3 MET 1 2HE MET 1 -0.449 4.775 0.969 13 H GLN 2 H GLN 2 3.900 2.030 -3.044 14 HA GLN 2 HA GLN 2 5.637 3.897 -4.315 15 HB2 GLN 2 2HB GLN 2 5.615 1.002 -3.772 16 HB3 GLN 2 3HB GLN 2 6.493 1.475 -5.220 17 HG2 GLN 2 2HG GLN 2 8.179 2.345 -4.053 18 HG3 GLN 2 3HG GLN 2 7.100 3.139 -2.907 19 HE21 GLN 2 1HE2 GLN 2 9.447 0.878 -3.200 20 HE22 GLN 2 2HE2 GLN 2 9.107 -0.084 -1.806 21 H ILE 3 H ILE 3 6.057 4.219 -6.484 22 HA ILE 3 HA ILE 3 4.001 3.189 -8.326 23 HB ILE 3 HB ILE 3 4.565 5.210 -9.728 24 HG12 ILE 3 2HG1 ILE 3 5.550 6.661 -7.364 25 HG13 ILE 3 3HG1 ILE 3 6.683 5.484 -8.018 26 HG21 ILE 3 1HG2 ILE 3 2.812 6.271 -8.812 27 HG22 ILE 3 2HG2 ILE 3 2.755 4.880 -7.730 28 HG23 ILE 3 3HG2 ILE 3 3.568 6.360 -7.222 29 HD11 ILE 3 3HD1 ILE 3 7.127 7.608 -9.005 30 HD12 ILE 3 1HD1 ILE 3 6.424 6.561 -10.238 31 HD13 ILE 3 2HD1 ILE 3 5.436 7.803 -9.466 32 H PHE 4 H PHE 4 4.761 3.181 -10.665 33 HA PHE 4 HA PHE 4 7.568 2.312 -10.839 34 HB2 PHE 4 2HB PHE 4 5.212 0.731 -11.240 35 HB3 PHE 4 3HB PHE 4 6.065 0.884 -12.772 36 HD1 PHE 4 HD2 PHE 4 8.611 0.397 -12.715 37 HD2 PHE 4 HD1 PHE 4 5.869 -0.872 -9.717 38 HE1 PHE 4 HE2 PHE 4 10.198 -1.344 -12.006 39 HE2 PHE 4 HE1 PHE 4 7.452 -2.615 -9.002 40 HZ PHE 4 HZ PHE 4 9.619 -2.853 -10.148 41 H VAL 5 H VAL 5 8.702 3.062 -12.542 42 HA VAL 5 HA VAL 5 7.228 4.638 -14.552 43 HB VAL 5 HB VAL 5 10.081 5.103 -13.683 44 HG11 VAL 5 1HG1 VAL 5 9.366 7.415 -14.727 45 HG12 VAL 5 2HG1 VAL 5 9.941 6.092 -15.743 46 HG13 VAL 5 3HG1 VAL 5 8.212 6.406 -15.598 47 HG21 VAL 5 3HG2 VAL 5 9.202 7.063 -12.462 48 HG22 VAL 5 1HG2 VAL 5 7.563 6.508 -12.800 49 HG23 VAL 5 2HG2 VAL 5 8.634 5.534 -11.794 50 H LYS 6 H LYS 6 7.437 4.056 -16.615 51 HA LYS 6 HA LYS 6 9.447 2.020 -17.282 52 HB2 LYS 6 2HB LYS 6 6.793 1.907 -17.693 53 HB3 LYS 6 3HB LYS 6 7.278 2.680 -19.196 54 HG2 LYS 6 2HG LYS 6 8.790 0.837 -19.675 55 HG3 LYS 6 3HG LYS 6 8.353 0.068 -18.148 56 HD2 LYS 6 2HD LYS 6 6.316 -0.606 -18.914 57 HD3 LYS 6 3HD LYS 6 6.144 0.779 -19.995 58 HE2 LYS 6 2HE LYS 6 8.343 -0.984 -20.733 59 HE3 LYS 6 3HE LYS 6 6.778 -1.796 -20.742 60 HZ1 LYS 6 3HZ LYS 6 6.191 -0.730 -22.584 61 HZ2 LYS 6 1HZ LYS 6 7.796 -0.213 -22.726 62 HZ3 LYS 6 2HZ LYS 6 6.653 0.777 -21.969 63 H THR 7 H THR 7 10.919 2.321 -18.887 64 HA THR 7 HA THR 7 11.028 5.018 -20.063 65 HB THR 7 HB THR 7 13.447 4.611 -20.383 66 HG1 THR 7 HG1 THR 7 14.143 2.703 -18.933 67 HG21 THR 7 3HG2 THR 7 14.086 5.001 -18.142 68 HG22 THR 7 1HG2 THR 7 12.721 4.081 -17.510 69 HG23 THR 7 2HG2 THR 7 12.449 5.643 -18.281 70 H LEU 8 H LEU 8 12.395 4.975 -22.191 71 HA LEU 8 HA LEU 8 10.926 3.334 -24.043 72 HB2 LEU 8 2HB LEU 8 11.643 5.757 -24.373 73 HB3 LEU 8 3HB LEU 8 13.253 5.119 -24.698 74 HG LEU 8 HG LEU 8 12.364 3.873 -26.615 75 HD11 LEU 8 1HD1 LEU 8 10.069 4.421 -27.406 76 HD12 LEU 8 2HD1 LEU 8 9.770 5.201 -25.854 77 HD13 LEU 8 3HD1 LEU 8 10.111 3.472 -25.920 78 HD21 LEU 8 3HD2 LEU 8 13.275 6.106 -26.958 79 HD22 LEU 8 1HD2 LEU 8 11.691 6.814 -26.639 80 HD23 LEU 8 2HD2 LEU 8 11.933 5.800 -28.063 81 H THR 9 H THR 9 13.567 2.749 -22.175 82 HA THR 9 HA THR 9 14.901 1.062 -24.175 83 HB THR 9 HB THR 9 16.014 1.393 -21.428 84 HG1 THR 9 HG1 THR 9 16.418 3.357 -23.443 85 HG21 THR 9 3HG2 THR 9 17.647 1.693 -23.870 86 HG22 THR 9 1HG2 THR 9 16.898 0.115 -23.632 87 HG23 THR 9 2HG2 THR 9 17.968 0.779 -22.397 88 H GLY 10 H GLY 10 12.330 0.531 -22.625 89 HA2 GLY 10 2HA GLY 10 11.293 -1.326 -21.759 90 HA3 GLY 10 3HA GLY 10 12.701 -2.243 -22.273 91 H LYS 11 H LYS 11 13.398 0.360 -20.191 92 HA LYS 11 HA LYS 11 13.968 -1.527 -18.031 93 HB2 LYS 11 2HB LYS 11 15.164 0.944 -19.003 94 HB3 LYS 11 3HB LYS 11 14.925 0.966 -17.260 95 HG2 LYS 11 2HG LYS 11 16.063 -1.536 -18.211 96 HG3 LYS 11 3HG LYS 11 17.062 -0.131 -18.590 97 HD2 LYS 11 2HD LYS 11 16.055 0.051 -15.901 98 HD3 LYS 11 3HD LYS 11 16.880 -1.491 -16.144 99 HE2 LYS 11 2HE LYS 11 18.633 -0.141 -15.519 100 HE3 LYS 11 3HE LYS 11 18.704 0.003 -17.274 101 HZ1 LYS 11 3HZ LYS 11 18.896 2.156 -16.192 102 HZ2 LYS 11 1HZ LYS 11 17.397 1.938 -15.438 103 HZ3 LYS 11 2HZ LYS 11 17.485 2.080 -17.121 104 H THR 12 H THR 12 12.974 -1.488 -16.094 105 HA THR 12 HA THR 12 10.901 0.568 -15.690 106 HB THR 12 HB THR 12 10.413 -1.631 -13.971 107 HG1 THR 12 HG1 THR 12 10.527 -3.367 -15.264 108 HG21 THR 12 3HG2 THR 12 9.086 -0.113 -16.076 109 HG22 THR 12 1HG2 THR 12 8.432 -0.776 -14.579 110 HG23 THR 12 2HG2 THR 12 8.563 -1.796 -16.011 111 H ILE 13 H ILE 13 11.102 1.871 -13.990 112 HA ILE 13 HA ILE 13 12.962 1.083 -11.843 113 HB ILE 13 HB ILE 13 12.329 3.902 -12.716 114 HG12 ILE 13 2HG1 ILE 13 13.574 2.785 -14.474 115 HG13 ILE 13 3HG1 ILE 13 14.639 3.905 -13.632 116 HG21 ILE 13 1HG2 ILE 13 14.129 2.711 -10.642 117 HG22 ILE 13 2HG2 ILE 13 14.484 4.286 -11.349 118 HG23 ILE 13 3HG2 ILE 13 12.968 4.030 -10.487 119 HD11 ILE 13 3HD1 ILE 13 14.931 1.482 -12.294 120 HD12 ILE 13 1HD1 ILE 13 14.888 1.068 -14.007 121 HD13 ILE 13 2HD1 ILE 13 16.070 2.234 -13.411 122 H THR 14 H THR 14 12.414 1.583 -9.711 123 HA THR 14 HA THR 14 9.557 2.172 -9.299 124 HB THR 14 HB THR 14 11.331 0.797 -7.289 125 HG1 THR 14 HG1 THR 14 10.246 -1.154 -8.192 126 HG21 THR 14 3HG2 THR 14 8.361 1.056 -7.704 127 HG22 THR 14 1HG2 THR 14 9.318 1.547 -6.306 128 HG23 THR 14 2HG2 THR 14 9.063 -0.165 -6.643 129 H LEU 15 H LEU 15 8.958 3.832 -8.020 130 HA LEU 15 HA LEU 15 10.934 5.113 -6.293 131 HB2 LEU 15 2HB LEU 15 9.808 6.247 -8.758 132 HB3 LEU 15 3HB LEU 15 9.732 7.306 -7.352 133 HG LEU 15 HG LEU 15 12.300 6.014 -8.226 134 HD11 LEU 15 1HD1 LEU 15 12.529 8.566 -9.086 135 HD12 LEU 15 2HD1 LEU 15 10.835 8.244 -9.457 136 HD13 LEU 15 3HD1 LEU 15 12.096 7.204 -10.120 137 HD21 LEU 15 3HD2 LEU 15 12.763 6.880 -6.185 138 HD22 LEU 15 1HD2 LEU 15 11.454 8.059 -6.264 139 HD23 LEU 15 2HD2 LEU 15 12.964 8.359 -7.126 140 H GLU 16 H GLU 16 9.838 6.952 -5.026 141 HA GLU 16 HA GLU 16 7.045 6.238 -4.430 142 HB2 GLU 16 2HB GLU 16 7.551 6.645 -2.021 143 HB3 GLU 16 3HB GLU 16 8.369 5.241 -2.692 144 HG2 GLU 16 2HG GLU 16 9.985 7.620 -2.938 145 HG3 GLU 16 3HG GLU 16 9.516 7.322 -1.265 146 H VAL 17 H VAL 17 5.670 7.905 -4.061 147 HA VAL 17 HA VAL 17 6.721 10.590 -3.639 148 HB VAL 17 HB VAL 17 6.349 9.971 -6.190 149 HG11 VAL 17 1HG1 VAL 17 3.928 9.333 -5.579 150 HG12 VAL 17 2HG1 VAL 17 3.637 11.073 -5.548 151 HG13 VAL 17 3HG1 VAL 17 4.203 10.299 -7.029 152 HG21 VAL 17 3HG2 VAL 17 6.686 12.272 -4.778 153 HG22 VAL 17 1HG2 VAL 17 6.606 12.175 -6.538 154 HG23 VAL 17 2HG2 VAL 17 5.164 12.592 -5.611 155 H GLU 18 H GLU 18 4.763 12.178 -3.518 156 HA GLU 18 HA GLU 18 2.545 10.835 -2.120 157 HB2 GLU 18 2HB GLU 18 4.381 12.916 -1.174 158 HB3 GLU 18 3HB GLU 18 2.685 13.308 -0.932 159 HG2 GLU 18 2HG GLU 18 2.647 10.820 -0.004 160 HG3 GLU 18 3HG GLU 18 4.341 11.193 0.305 161 HA PRO 19 HA PRO 19 -0.296 13.187 -4.495 162 HB2 PRO 19 2HB PRO 19 -2.171 13.922 -2.675 163 HB3 PRO 19 3HB PRO 19 -1.988 12.260 -3.247 164 HG2 PRO 19 2HG PRO 19 -0.988 13.514 -0.719 165 HG3 PRO 19 3HG PRO 19 -1.748 11.929 -0.958 166 HD2 PRO 19 2HD PRO 19 0.930 12.237 -0.701 167 HD3 PRO 19 3HD PRO 19 0.207 10.964 -1.705 168 H SER 20 H SER 20 0.902 14.737 -1.572 169 HA SER 20 HA SER 20 0.094 17.375 -2.444 170 HB2 SER 20 2HB SER 20 0.551 16.287 0.024 171 HB3 SER 20 3HB SER 20 2.043 17.187 -0.245 172 HG SER 20 HG SER 20 -0.137 18.192 0.629 173 H ASP 21 H ASP 21 2.482 15.352 -3.376 174 HA ASP 21 HA ASP 21 4.645 17.272 -3.518 175 HB2 ASP 21 2HB ASP 21 4.390 14.484 -4.665 176 HB3 ASP 21 3HB ASP 21 5.856 15.460 -4.695 177 H THR 22 H THR 22 5.424 18.255 -5.363 178 HA THR 22 HA THR 22 3.539 18.330 -7.615 179 HB THR 22 HB THR 22 4.539 20.477 -8.212 180 HG1 THR 22 HG1 THR 22 6.021 21.312 -6.421 181 HG21 THR 22 3HG2 THR 22 3.639 21.778 -6.452 182 HG22 THR 22 1HG2 THR 22 3.968 20.526 -5.255 183 HG23 THR 22 2HG2 THR 22 2.706 20.282 -6.463 184 H ILE 23 H ILE 23 4.378 18.442 -9.785 185 HA ILE 23 HA ILE 23 6.190 16.446 -10.426 186 HB ILE 23 HB ILE 23 5.492 18.865 -12.095 187 HG12 ILE 23 2HG1 ILE 23 3.503 17.630 -11.412 188 HG13 ILE 23 3HG1 ILE 23 3.815 17.371 -13.125 189 HG21 ILE 23 1HG2 ILE 23 6.843 16.266 -12.742 190 HG22 ILE 23 2HG2 ILE 23 6.004 17.206 -13.975 191 HG23 ILE 23 3HG2 ILE 23 7.370 17.908 -13.109 192 HD11 ILE 23 3HD1 ILE 23 4.114 15.477 -10.840 193 HD12 ILE 23 1HD1 ILE 23 3.275 15.261 -12.376 194 HD13 ILE 23 2HD1 ILE 23 5.038 15.239 -12.323 195 H GLU 24 H GLU 24 6.733 19.885 -9.903 196 HA GLU 24 HA GLU 24 9.345 20.071 -10.880 197 HB2 GLU 24 2HB GLU 24 7.794 21.952 -10.123 198 HB3 GLU 24 3HB GLU 24 8.324 21.591 -8.486 199 HG2 GLU 24 2HG GLU 24 10.701 21.901 -9.416 200 HG3 GLU 24 3HG GLU 24 9.903 22.693 -10.773 201 H ASN 25 H ASN 25 8.128 19.083 -7.717 202 HA ASN 25 HA ASN 25 10.644 18.918 -6.436 203 HB2 ASN 25 2HB ASN 25 7.876 18.182 -5.834 204 HB3 ASN 25 3HB ASN 25 9.052 17.070 -5.140 205 HD21 ASN 25 1HD2 ASN 25 10.784 18.025 -3.851 206 HD22 ASN 25 2HD2 ASN 25 10.441 19.439 -2.919 207 H VAL 26 H VAL 26 8.608 16.466 -8.009 208 HA VAL 26 HA VAL 26 10.193 14.234 -7.531 209 HB VAL 26 HB VAL 26 8.609 14.730 -10.052 210 HG11 VAL 26 1HG1 VAL 26 10.223 12.600 -9.332 211 HG12 VAL 26 2HG1 VAL 26 8.592 12.054 -8.937 212 HG13 VAL 26 3HG1 VAL 26 8.970 12.594 -10.573 213 HG21 VAL 26 3HG2 VAL 26 6.823 14.914 -8.727 214 HG22 VAL 26 1HG2 VAL 26 7.055 13.208 -8.343 215 HG23 VAL 26 2HG2 VAL 26 7.743 14.449 -7.296 216 H LYS 27 H LYS 27 10.225 16.391 -10.366 217 HA LYS 27 HA LYS 27 12.250 15.182 -11.807 218 HB2 LYS 27 2HB LYS 27 10.989 16.956 -12.799 219 HB3 LYS 27 3HB LYS 27 11.497 18.094 -11.559 220 HG2 LYS 27 2HG LYS 27 13.724 16.905 -13.015 221 HG3 LYS 27 3HG LYS 27 12.618 17.822 -14.039 222 HD2 LYS 27 2HD LYS 27 13.334 19.770 -13.217 223 HD3 LYS 27 3HD LYS 27 13.194 19.200 -11.552 224 HE2 LYS 27 2HE LYS 27 15.363 17.896 -12.063 225 HE3 LYS 27 3HE LYS 27 15.519 18.995 -13.432 226 HZ1 LYS 27 3HZ LYS 27 16.287 19.466 -10.826 227 HZ2 LYS 27 1HZ LYS 27 14.915 20.428 -11.062 228 HZ3 LYS 27 2HZ LYS 27 16.246 20.586 -12.094 229 H ALA 28 H ALA 28 12.502 17.538 -9.181 230 HA ALA 28 HA ALA 28 15.253 18.006 -9.302 231 HB1 ALA 28 1HB ALA 28 13.106 18.465 -7.396 232 HB2 ALA 28 2HB ALA 28 14.658 18.159 -6.616 233 HB3 ALA 28 3HB ALA 28 14.505 19.465 -7.790 234 H LYS 29 H LYS 29 13.422 15.411 -7.787 235 HA LYS 29 HA LYS 29 15.517 14.285 -6.281 236 HB2 LYS 29 2HB LYS 29 12.808 13.714 -6.776 237 HB3 LYS 29 3HB LYS 29 13.693 12.273 -7.258 238 HG2 LYS 29 2HG LYS 29 13.684 11.680 -5.123 239 HG3 LYS 29 3HG LYS 29 14.829 12.992 -4.833 240 HD2 LYS 29 2HD LYS 29 12.344 14.237 -4.909 241 HD3 LYS 29 3HD LYS 29 12.060 12.737 -4.021 242 HE2 LYS 29 2HE LYS 29 12.663 14.400 -2.429 243 HE3 LYS 29 3HE LYS 29 14.042 13.315 -2.599 244 HZ1 LYS 29 3HZ LYS 29 15.314 14.984 -3.278 245 HZ2 LYS 29 1HZ LYS 29 14.071 16.045 -2.841 246 HZ3 LYS 29 2HZ LYS 29 14.187 15.488 -4.434 247 H ILE 30 H ILE 30 14.447 13.763 -9.605 248 HA ILE 30 HA ILE 30 16.146 11.573 -10.160 249 HB ILE 30 HB ILE 30 14.772 13.574 -11.937 250 HG12 ILE 30 2HG1 ILE 30 13.696 11.278 -12.637 251 HG13 ILE 30 3HG1 ILE 30 14.309 10.743 -11.076 252 HG21 ILE 30 1HG2 ILE 30 15.436 11.790 -13.741 253 HG22 ILE 30 2HG2 ILE 30 16.537 13.102 -13.323 254 HG23 ILE 30 3HG2 ILE 30 16.784 11.494 -12.643 255 HD11 ILE 30 3HD1 ILE 30 12.962 12.278 -9.911 256 HD12 ILE 30 1HD1 ILE 30 12.574 13.170 -11.381 257 HD13 ILE 30 2HD1 ILE 30 11.923 11.549 -11.135 258 H GLN 31 H GLN 31 16.544 15.065 -10.486 259 HA GLN 31 HA GLN 31 19.006 14.987 -11.876 260 HB2 GLN 31 2HB GLN 31 17.650 16.996 -11.864 261 HB3 GLN 31 3HB GLN 31 17.800 17.127 -10.116 262 HG2 GLN 31 2HG GLN 31 20.283 17.364 -10.467 263 HG3 GLN 31 3HG GLN 31 19.937 17.523 -12.188 264 HE21 GLN 31 1HE2 GLN 31 20.321 19.588 -12.628 265 HE22 GLN 31 2HE2 GLN 31 19.629 20.936 -11.797 266 H ASP 32 H ASP 32 18.161 14.914 -8.472 267 HA ASP 32 HA ASP 32 20.834 15.295 -7.525 268 HB2 ASP 32 2HB ASP 32 18.592 15.695 -6.279 269 HB3 ASP 32 3HB ASP 32 18.659 13.969 -5.931 270 H LYS 33 H LYS 33 19.288 12.727 -9.007 271 HA LYS 33 HA LYS 33 21.012 10.733 -7.704 272 HB2 LYS 33 2HB LYS 33 18.405 10.500 -8.030 273 HB3 LYS 33 3HB LYS 33 18.866 9.989 -9.648 274 HG2 LYS 33 2HG LYS 33 20.338 8.268 -8.607 275 HG3 LYS 33 3HG LYS 33 19.660 8.717 -7.040 276 HD2 LYS 33 2HD LYS 33 17.374 8.292 -8.207 277 HD3 LYS 33 3HD LYS 33 18.338 7.374 -9.366 278 HE2 LYS 33 2HE LYS 33 17.695 5.767 -7.813 279 HE3 LYS 33 3HE LYS 33 19.321 6.206 -7.290 280 HZ1 LYS 33 3HZ LYS 33 17.628 6.061 -5.482 281 HZ2 LYS 33 1HZ LYS 33 16.865 7.415 -6.150 282 HZ3 LYS 33 2HZ LYS 33 18.445 7.541 -5.560 283 H GLU 34 H GLU 34 19.980 11.914 -10.886 284 HA GLU 34 HA GLU 34 22.439 10.746 -12.014 285 HB2 GLU 34 2HB GLU 34 19.666 10.512 -12.872 286 HB3 GLU 34 3HB GLU 34 20.708 11.114 -14.154 287 HG2 GLU 34 2HG GLU 34 20.905 8.884 -14.518 288 HG3 GLU 34 3HG GLU 34 22.237 9.114 -13.387 289 H GLY 35 H GLY 35 20.219 13.460 -11.947 290 HA2 GLY 35 2HA GLY 35 20.830 15.709 -12.210 291 HA3 GLY 35 3HA GLY 35 22.350 15.189 -12.923 292 H ILE 36 H ILE 36 19.402 13.796 -14.075 293 HA ILE 36 HA ILE 36 19.876 14.529 -16.741 294 HB ILE 36 HB ILE 36 17.233 13.721 -15.523 295 HG12 ILE 36 2HG1 ILE 36 19.298 11.947 -16.833 296 HG13 ILE 36 3HG1 ILE 36 19.168 12.155 -15.090 297 HG21 ILE 36 1HG2 ILE 36 16.588 13.060 -17.727 298 HG22 ILE 36 2HG2 ILE 36 17.165 14.723 -17.808 299 HG23 ILE 36 3HG2 ILE 36 18.197 13.404 -18.359 300 HD11 ILE 36 3HD1 ILE 36 17.936 10.270 -15.343 301 HD12 ILE 36 1HD1 ILE 36 16.663 11.470 -15.561 302 HD13 ILE 36 2HD1 ILE 36 17.400 10.701 -16.967 303 HA PRO 37 HA PRO 37 18.417 18.705 -16.795 304 HB2 PRO 37 2HB PRO 37 18.278 18.990 -19.491 305 HB3 PRO 37 3HB PRO 37 19.806 18.993 -18.603 306 HG2 PRO 37 2HG PRO 37 18.504 16.767 -20.123 307 HG3 PRO 37 3HG PRO 37 20.208 17.256 -20.095 308 HD2 PRO 37 2HD PRO 37 19.271 15.158 -18.663 309 HD3 PRO 37 3HD PRO 37 20.617 16.171 -18.103 310 HA PRO 38 HA PRO 38 14.026 17.935 -17.095 311 HB2 PRO 38 2HB PRO 38 13.259 20.411 -16.288 312 HB3 PRO 38 3HB PRO 38 13.831 19.170 -15.167 313 HG2 PRO 38 2HG PRO 38 15.316 21.487 -16.346 314 HG3 PRO 38 3HG PRO 38 15.332 20.878 -14.681 315 HD2 PRO 38 2HD PRO 38 17.299 20.318 -16.456 316 HD3 PRO 38 3HD PRO 38 16.810 19.182 -15.181 317 H ASP 39 H ASP 39 15.851 20.403 -18.719 318 HA ASP 39 HA ASP 39 13.688 21.395 -20.315 319 HB2 ASP 39 2HB ASP 39 16.354 22.152 -19.799 320 HB3 ASP 39 3HB ASP 39 16.262 21.833 -21.529 321 H GLN 40 H GLN 40 15.762 18.675 -20.459 322 HA GLN 40 HA GLN 40 15.038 18.203 -23.272 323 HB2 GLN 40 2HB GLN 40 17.415 17.499 -21.633 324 HB3 GLN 40 3HB GLN 40 16.907 16.334 -22.849 325 HG2 GLN 40 2HG GLN 40 18.552 17.727 -23.832 326 HG3 GLN 40 3HG GLN 40 16.997 18.166 -24.536 327 HE21 GLN 40 1HE2 GLN 40 16.414 20.228 -24.502 328 HE22 GLN 40 2HE2 GLN 40 17.187 21.476 -23.591 329 H GLN 41 H GLN 41 14.196 17.364 -20.177 330 HA GLN 41 HA GLN 41 13.378 14.646 -20.928 331 HB2 GLN 41 2HB GLN 41 14.675 15.350 -18.715 332 HB3 GLN 41 3HB GLN 41 13.040 15.671 -18.152 333 HG2 GLN 41 2HG GLN 41 12.603 13.257 -19.111 334 HG3 GLN 41 3HG GLN 41 14.338 13.095 -18.846 335 HE21 GLN 41 1HE2 GLN 41 11.530 14.445 -17.140 336 HE22 GLN 41 2HE2 GLN 41 11.918 13.756 -15.604 337 H ARG 42 H ARG 42 11.313 14.201 -21.336 338 HA ARG 42 HA ARG 42 9.255 16.076 -20.381 339 HB2 ARG 42 2HB ARG 42 9.734 15.039 -23.145 340 HB3 ARG 42 3HB ARG 42 8.083 15.356 -22.627 341 HG2 ARG 42 2HG ARG 42 9.463 17.629 -21.869 342 HG3 ARG 42 3HG ARG 42 10.162 17.200 -23.432 343 HD2 ARG 42 2HD ARG 42 7.237 17.602 -22.818 344 HD3 ARG 42 3HD ARG 42 8.274 18.691 -23.737 345 HE ARG 42 HE ARG 42 8.169 16.048 -24.838 346 HH11 ARG 42 1HH1 ARG 42 6.561 19.132 -24.699 347 HH12 ARG 42 2HH1 ARG 42 5.770 18.935 -26.228 348 HH21 ARG 42 1HH2 ARG 42 7.133 15.777 -26.852 349 HH22 ARG 42 2HH2 ARG 42 6.095 17.026 -27.451 350 H LEU 43 H LEU 43 7.607 15.143 -19.348 351 HA LEU 43 HA LEU 43 7.450 12.217 -19.362 352 HB2 LEU 43 2HB LEU 43 7.347 14.124 -17.323 353 HB3 LEU 43 3HB LEU 43 5.698 13.520 -17.476 354 HG LEU 43 HG LEU 43 7.975 11.594 -17.238 355 HD11 LEU 43 1HD1 LEU 43 8.536 12.430 -15.253 356 HD12 LEU 43 2HD1 LEU 43 6.969 11.855 -14.683 357 HD13 LEU 43 3HD1 LEU 43 7.151 13.522 -15.229 358 HD21 LEU 43 3HD2 LEU 43 5.025 11.599 -16.739 359 HD22 LEU 43 1HD2 LEU 43 6.066 10.428 -15.929 360 HD23 LEU 43 2HD2 LEU 43 5.999 10.477 -17.691 361 H ILE 44 H ILE 44 5.695 11.128 -20.062 362 HA ILE 44 HA ILE 44 3.267 12.632 -20.723 363 HB ILE 44 HB ILE 44 4.464 10.636 -22.639 364 HG12 ILE 44 2HG1 ILE 44 4.568 13.658 -22.759 365 HG13 ILE 44 3HG1 ILE 44 5.940 12.596 -22.461 366 HG21 ILE 44 1HG2 ILE 44 1.901 11.576 -22.414 367 HG22 ILE 44 2HG2 ILE 44 2.598 12.651 -23.625 368 HG23 ILE 44 3HG2 ILE 44 2.621 10.905 -23.877 369 HD11 ILE 44 3HD1 ILE 44 4.329 12.827 -24.987 370 HD12 ILE 44 1HD1 ILE 44 6.009 13.300 -24.733 371 HD13 ILE 44 2HD1 ILE 44 5.559 11.595 -24.705 372 H PHE 45 H PHE 45 1.406 11.564 -20.322 373 HA PHE 45 HA PHE 45 1.270 8.702 -20.171 374 HB2 PHE 45 2HB PHE 45 2.241 9.022 -18.004 375 HB3 PHE 45 3HB PHE 45 1.140 10.347 -17.642 376 HD1 PHE 45 HD2 PHE 45 1.170 6.708 -18.407 377 HD2 PHE 45 HD1 PHE 45 -0.809 9.939 -16.467 378 HE1 PHE 45 HE2 PHE 45 -0.390 5.119 -17.361 379 HE2 PHE 45 HE1 PHE 45 -2.372 8.355 -15.417 380 HZ PHE 45 HZ PHE 45 -2.165 5.942 -15.864 381 H ALA 46 H ALA 46 -0.820 7.943 -20.262 382 HA ALA 46 HA ALA 46 -3.067 7.968 -20.629 383 HB1 ALA 46 1HB ALA 46 -3.358 10.639 -19.340 384 HB2 ALA 46 2HB ALA 46 -4.391 9.213 -19.229 385 HB3 ALA 46 3HB ALA 46 -2.857 9.262 -18.359 386 H GLY 47 H GLY 47 -1.040 9.521 -22.332 387 HA2 GLY 47 2HA GLY 47 -1.258 10.442 -24.450 388 HA3 GLY 47 3HA GLY 47 -2.995 10.531 -24.198 389 H LYS 48 H LYS 48 -1.738 11.906 -21.531 390 HA LYS 48 HA LYS 48 -1.840 14.596 -22.726 391 HB2 LYS 48 2HB LYS 48 -2.635 13.604 -19.991 392 HB3 LYS 48 3HB LYS 48 -2.442 15.313 -20.360 393 HG2 LYS 48 2HG LYS 48 -4.258 13.580 -21.991 394 HG3 LYS 48 3HG LYS 48 -4.792 14.286 -20.464 395 HD2 LYS 48 2HD LYS 48 -4.282 16.518 -21.305 396 HD3 LYS 48 3HD LYS 48 -3.700 15.825 -22.821 397 HE2 LYS 48 2HE LYS 48 -5.799 15.371 -23.576 398 HE3 LYS 48 3HE LYS 48 -6.440 15.095 -21.957 399 HZ1 LYS 48 3HZ LYS 48 -7.423 17.071 -22.516 400 HZ2 LYS 48 1HZ LYS 48 -6.098 17.624 -23.411 401 HZ3 LYS 48 2HZ LYS 48 -6.040 17.636 -21.721 402 H GLN 49 H GLN 49 -0.175 15.969 -22.442 403 HA GLN 49 HA GLN 49 2.291 14.946 -21.420 404 HB2 GLN 49 2HB GLN 49 3.134 17.260 -21.951 405 HB3 GLN 49 3HB GLN 49 2.421 16.394 -23.305 406 HG2 GLN 49 2HG GLN 49 0.740 17.860 -23.531 407 HG3 GLN 49 3HG GLN 49 0.557 18.079 -21.791 408 HE21 GLN 49 1HE2 GLN 49 1.064 19.770 -24.409 409 HE22 GLN 49 2HE2 GLN 49 2.162 20.977 -23.841 410 H LEU 50 H LEU 50 2.977 15.000 -19.392 411 HA LEU 50 HA LEU 50 1.523 16.131 -17.283 412 HB2 LEU 50 2HB LEU 50 3.863 14.551 -17.609 413 HB3 LEU 50 3HB LEU 50 4.247 15.878 -16.514 414 HG LEU 50 HG LEU 50 2.053 13.838 -16.154 415 HD11 LEU 50 1HD1 LEU 50 4.363 14.243 -14.311 416 HD12 LEU 50 2HD1 LEU 50 4.571 13.280 -15.773 417 HD13 LEU 50 3HD1 LEU 50 3.368 12.810 -14.572 418 HD21 LEU 50 3HD2 LEU 50 2.895 16.108 -14.355 419 HD22 LEU 50 1HD2 LEU 50 1.669 14.891 -13.998 420 HD23 LEU 50 2HD2 LEU 50 1.409 16.046 -15.305 421 H GLU 51 H GLU 51 1.261 18.203 -16.810 422 HA GLU 51 HA GLU 51 3.171 20.179 -17.748 423 HB2 GLU 51 2HB GLU 51 0.565 20.341 -17.774 424 HB3 GLU 51 3HB GLU 51 0.754 20.823 -16.094 425 HG2 GLU 51 2HG GLU 51 2.490 22.510 -17.117 426 HG3 GLU 51 3HG GLU 51 1.540 22.248 -18.579 427 H ASP 52 H ASP 52 4.484 21.414 -16.492 428 HA ASP 52 HA ASP 52 5.340 20.413 -14.012 429 HB2 ASP 52 2HB ASP 52 6.754 22.383 -13.884 430 HB3 ASP 52 3HB ASP 52 6.752 21.767 -15.535 431 H GLY 53 H GLY 53 2.822 22.624 -14.847 432 HA2 GLY 53 2HA GLY 53 2.634 23.777 -12.194 433 HA3 GLY 53 3HA GLY 53 1.552 24.080 -13.546 434 H ARG 54 H ARG 54 1.961 20.793 -13.206 435 HA ARG 54 HA ARG 54 -0.610 20.580 -11.807 436 HB2 ARG 54 2HB ARG 54 0.173 19.490 -14.179 437 HB3 ARG 54 3HB ARG 54 0.520 18.170 -13.070 438 HG2 ARG 54 2HG ARG 54 -1.623 17.641 -13.541 439 HG3 ARG 54 3HG ARG 54 -1.934 18.777 -12.226 440 HD2 ARG 54 2HD ARG 54 -3.359 19.598 -13.816 441 HD3 ARG 54 3HD ARG 54 -1.911 20.534 -14.182 442 HE ARG 54 HE ARG 54 -1.755 18.258 -15.729 443 HH11 ARG 54 1HH1 ARG 54 -3.949 20.937 -15.366 444 HH12 ARG 54 2HH1 ARG 54 -4.475 20.899 -17.016 445 HH21 ARG 54 1HH2 ARG 54 -2.440 18.198 -17.904 446 HH22 ARG 54 2HH2 ARG 54 -3.616 19.340 -18.459 447 H THR 55 H THR 55 -0.918 18.801 -10.300 448 HA THR 55 HA THR 55 1.567 18.127 -8.863 449 HB THR 55 HB THR 55 0.423 18.225 -6.788 450 HG1 THR 55 HG1 THR 55 -1.614 17.684 -6.753 451 HG21 THR 55 3HG2 THR 55 0.193 20.474 -6.624 452 HG22 THR 55 1HG2 THR 55 -0.933 20.565 -7.977 453 HG23 THR 55 2HG2 THR 55 0.800 20.439 -8.279 454 H LEU 56 H LEU 56 1.485 16.106 -7.608 455 HA LEU 56 HA LEU 56 0.834 13.905 -9.164 456 HB2 LEU 56 2HB LEU 56 1.619 14.351 -6.356 457 HB3 LEU 56 3HB LEU 56 0.832 12.812 -6.701 458 HG LEU 56 HG LEU 56 3.347 12.790 -6.729 459 HD11 LEU 56 1HD1 LEU 56 3.430 11.530 -8.940 460 HD12 LEU 56 2HD1 LEU 56 1.721 11.930 -9.101 461 HD13 LEU 56 3HD1 LEU 56 2.274 10.964 -7.734 462 HD21 LEU 56 3HD2 LEU 56 3.192 15.066 -8.134 463 HD22 LEU 56 1HD2 LEU 56 3.323 13.912 -9.462 464 HD23 LEU 56 2HD2 LEU 56 4.573 13.971 -8.218 465 H SER 57 H SER 57 -0.878 15.064 -6.256 466 HA SER 57 HA SER 57 -2.991 13.258 -6.335 467 HB2 SER 57 2HB SER 57 -3.118 14.389 -4.369 468 HB3 SER 57 3HB SER 57 -2.485 15.878 -5.070 469 HG SER 57 HG SER 57 -4.455 16.536 -5.467 470 H ASP 58 H ASP 58 -2.555 16.318 -8.016 471 HA ASP 58 HA ASP 58 -5.180 16.563 -9.021 472 HB2 ASP 58 2HB ASP 58 -3.411 18.369 -8.962 473 HB3 ASP 58 3HB ASP 58 -2.669 17.583 -10.353 474 H TYR 59 H TYR 59 -2.390 14.757 -10.086 475 HA TYR 59 HA TYR 59 -3.474 14.153 -12.682 476 HB2 TYR 59 2HB TYR 59 -0.949 14.043 -11.545 477 HB3 TYR 59 3HB TYR 59 -1.388 12.349 -11.727 478 HD1 TYR 59 HD2 TYR 59 -1.986 15.384 -13.831 479 HD2 TYR 59 HD1 TYR 59 -0.358 11.461 -13.588 480 HE1 TYR 59 HE2 TYR 59 -1.388 15.491 -16.214 481 HE2 TYR 59 HE1 TYR 59 0.246 11.557 -15.971 482 HH TYR 59 HH TYR 59 0.738 13.781 -17.655 483 H ASN 60 H ASN 60 -4.216 13.122 -9.628 484 HA ASN 60 HA ASN 60 -5.319 11.335 -8.746 485 HB2 ASN 60 2HB ASN 60 -6.614 12.077 -11.075 486 HB3 ASN 60 3HB ASN 60 -6.416 10.338 -11.265 487 HD21 ASN 60 1HD2 ASN 60 -8.075 12.850 -9.658 488 HD22 ASN 60 2HD2 ASN 60 -9.108 11.860 -8.690 489 H ILE 61 H ILE 61 -2.622 10.866 -9.601 490 HA ILE 61 HA ILE 61 -2.470 8.327 -10.915 491 HB ILE 61 HB ILE 61 -0.583 9.779 -11.123 492 HG12 ILE 61 2HG1 ILE 61 0.343 7.662 -9.189 493 HG13 ILE 61 3HG1 ILE 61 -0.253 7.249 -10.793 494 HG21 ILE 61 1HG2 ILE 61 -0.091 11.188 -9.479 495 HG22 ILE 61 2HG2 ILE 61 -1.062 10.263 -8.335 496 HG23 ILE 61 3HG2 ILE 61 0.629 9.840 -8.599 497 HD11 ILE 61 3HD1 ILE 61 1.822 7.522 -11.509 498 HD12 ILE 61 1HD1 ILE 61 1.606 9.252 -11.245 499 HD13 ILE 61 2HD1 ILE 61 2.325 8.250 -9.984 500 H GLN 62 H GLN 62 -3.381 6.627 -9.923 501 HA GLN 62 HA GLN 62 -3.395 6.312 -7.076 502 HB2 GLN 62 2HB GLN 62 -4.569 4.973 -9.387 503 HB3 GLN 62 3HB GLN 62 -4.040 3.842 -8.149 504 HG2 GLN 62 2HG GLN 62 -5.651 4.451 -6.715 505 HG3 GLN 62 3HG GLN 62 -5.540 6.156 -7.151 506 HE21 GLN 62 1HE2 GLN 62 -7.635 3.766 -7.031 507 HE22 GLN 62 2HE2 GLN 62 -8.629 4.115 -8.401 508 H LYS 63 H LYS 63 -2.788 3.900 -6.347 509 HA LYS 63 HA LYS 63 0.073 3.789 -6.551 510 HB2 LYS 63 2HB LYS 63 -0.017 2.137 -4.859 511 HB3 LYS 63 3HB LYS 63 -1.295 3.282 -4.474 512 HG2 LYS 63 2HG LYS 63 -2.626 1.513 -4.292 513 HG3 LYS 63 3HG LYS 63 -2.574 1.426 -6.054 514 HD2 LYS 63 2HD LYS 63 -0.429 0.040 -5.703 515 HD3 LYS 63 3HD LYS 63 -0.991 -0.135 -4.038 516 HE2 LYS 63 2HE LYS 63 -3.247 -0.761 -5.371 517 HE3 LYS 63 3HE LYS 63 -2.041 -1.307 -6.536 518 HZ1 LYS 63 3HZ LYS 63 -2.854 -2.529 -4.120 519 HZ2 LYS 63 1HZ LYS 63 -1.195 -2.201 -4.059 520 HZ3 LYS 63 2HZ LYS 63 -1.828 -3.130 -5.323 521 H GLU 64 H GLU 64 1.341 2.207 -7.484 522 HA GLU 64 HA GLU 64 1.917 0.443 -8.823 523 HB2 GLU 64 2HB GLU 64 -0.256 -0.557 -7.667 524 HB3 GLU 64 3HB GLU 64 -0.915 -0.367 -9.286 525 HG2 GLU 64 2HG GLU 64 1.166 -1.643 -10.068 526 HG3 GLU 64 3HG GLU 64 1.353 -2.093 -8.374 527 H SER 65 H SER 65 0.974 3.149 -9.693 528 HA SER 65 HA SER 65 -0.167 2.709 -12.313 529 HB2 SER 65 2HB SER 65 0.084 5.185 -12.544 530 HB3 SER 65 3HB SER 65 -0.834 4.706 -11.116 531 HG SER 65 HG SER 65 1.908 4.989 -10.788 532 H THR 66 H THR 66 0.849 3.202 -14.292 533 HA THR 66 HA THR 66 3.796 3.151 -14.185 534 HB THR 66 HB THR 66 3.113 1.036 -15.034 535 HG1 THR 66 HG1 THR 66 4.661 1.420 -16.432 536 HG21 THR 66 3HG2 THR 66 0.955 2.577 -16.211 537 HG22 THR 66 1HG2 THR 66 1.042 0.852 -15.856 538 HG23 THR 66 2HG2 THR 66 1.687 1.474 -17.376 539 H LEU 67 H LEU 67 4.758 4.869 -15.035 540 HA LEU 67 HA LEU 67 3.259 6.499 -16.978 541 HB2 LEU 67 2HB LEU 67 5.518 7.430 -15.222 542 HB3 LEU 67 3HB LEU 67 4.429 8.421 -16.192 543 HG LEU 67 HG LEU 67 3.644 8.762 -14.047 544 HD11 LEU 67 1HD1 LEU 67 1.496 8.070 -14.171 545 HD12 LEU 67 2HD1 LEU 67 1.936 6.386 -14.451 546 HD13 LEU 67 3HD1 LEU 67 2.005 7.547 -15.777 547 HD21 LEU 67 3HD2 LEU 67 4.245 7.482 -12.337 548 HD22 LEU 67 1HD2 LEU 67 4.984 6.358 -13.478 549 HD23 LEU 67 2HD2 LEU 67 3.310 6.127 -12.972 550 H HIS 68 H HIS 68 4.348 7.345 -18.776 551 HA HIS 68 HA HIS 68 6.658 5.761 -19.599 552 HB2 HIS 68 2HB HIS 68 4.545 6.111 -21.027 553 HB3 HIS 68 3HB HIS 68 5.172 7.729 -21.326 554 HD1 HIS 68 HD1 HIS 68 6.482 4.161 -21.606 555 HD2 HIS 68 HD2 HIS 68 6.695 7.827 -23.548 556 HE1 HIS 68 HE1 HIS 68 7.889 3.758 -23.651 557 H LEU 69 H LEU 69 8.628 6.610 -20.135 558 HA LEU 69 HA LEU 69 8.998 9.495 -19.676 559 HB2 LEU 69 2HB LEU 69 9.865 8.289 -17.776 560 HB3 LEU 69 3HB LEU 69 10.790 7.224 -18.833 561 HG LEU 69 HG LEU 69 11.781 9.675 -19.512 562 HD11 LEU 69 1HD1 LEU 69 10.383 10.585 -17.581 563 HD12 LEU 69 2HD1 LEU 69 12.091 11.020 -17.623 564 HD13 LEU 69 3HD1 LEU 69 11.529 9.761 -16.523 565 HD21 LEU 69 3HD2 LEU 69 13.229 7.867 -19.168 566 HD22 LEU 69 1HD2 LEU 69 12.670 7.619 -17.513 567 HD23 LEU 69 2HD2 LEU 69 13.661 9.024 -17.908 568 H VAL 70 H VAL 70 9.129 10.143 -21.776 569 HA VAL 70 HA VAL 70 10.863 8.721 -23.631 570 HB VAL 70 HB VAL 70 8.624 9.629 -24.328 571 HG11 VAL 70 1HG1 VAL 70 9.865 12.318 -24.608 572 HG12 VAL 70 2HG1 VAL 70 8.166 11.866 -24.458 573 HG13 VAL 70 3HG1 VAL 70 9.211 11.853 -23.037 574 HG21 VAL 70 3HG2 VAL 70 10.543 9.078 -25.877 575 HG22 VAL 70 1HG2 VAL 70 9.343 10.206 -26.510 576 HG23 VAL 70 2HG2 VAL 70 10.893 10.806 -25.918 577 H LEU 71 H LEU 71 12.533 9.810 -24.832 578 HA LEU 71 HA LEU 71 13.826 11.939 -23.263 579 HB2 LEU 71 2HB LEU 71 15.108 9.891 -23.307 580 HB3 LEU 71 3HB LEU 71 15.022 9.841 -25.067 581 HG LEU 71 HG LEU 71 16.405 11.878 -25.169 582 HD11 LEU 71 1HD1 LEU 71 16.821 11.537 -22.211 583 HD12 LEU 71 2HD1 LEU 71 15.686 12.698 -22.897 584 HD13 LEU 71 3HD1 LEU 71 17.407 12.834 -23.253 585 HD21 LEU 71 3HD2 LEU 71 17.935 10.012 -23.432 586 HD22 LEU 71 1HD2 LEU 71 18.376 10.742 -24.976 587 HD23 LEU 71 2HD2 LEU 71 17.249 9.386 -24.933 588 H ARG 72 H ARG 72 14.577 13.766 -24.265 589 HA ARG 72 HA ARG 72 13.566 14.223 -26.972 590 HB2 ARG 72 2HB ARG 72 13.098 15.772 -24.964 591 HB3 ARG 72 3HB ARG 72 14.757 16.317 -25.171 592 HG2 ARG 72 2HG ARG 72 13.297 17.839 -26.297 593 HG3 ARG 72 3HG ARG 72 14.210 16.936 -27.507 594 HD2 ARG 72 2HD ARG 72 11.815 15.511 -26.912 595 HD3 ARG 72 3HD ARG 72 11.403 17.192 -27.247 596 HE ARG 72 HE ARG 72 12.423 15.245 -29.112 597 HH11 ARG 72 1HH1 ARG 72 12.002 18.630 -28.414 598 HH12 ARG 72 2HH1 ARG 72 12.099 19.117 -30.074 599 HH21 ARG 72 1HH2 ARG 72 12.553 15.875 -31.300 600 HH22 ARG 72 2HH2 ARG 72 12.411 17.549 -31.715 601 H LEU 73 H LEU 73 14.902 14.058 -28.637 602 HA LEU 73 HA LEU 73 17.736 13.842 -28.282 603 HB2 LEU 73 2HB LEU 73 15.864 13.104 -30.232 604 HB3 LEU 73 3HB LEU 73 16.949 14.248 -31.020 605 HG LEU 73 HG LEU 73 17.639 11.921 -31.364 606 HD11 LEU 73 1HD1 LEU 73 19.300 13.742 -31.312 607 HD12 LEU 73 2HD1 LEU 73 19.964 12.197 -30.782 608 HD13 LEU 73 3HD1 LEU 73 19.553 13.434 -29.594 609 HD21 LEU 73 3HD2 LEU 73 16.841 11.495 -28.800 610 HD22 LEU 73 1HD2 LEU 73 18.594 11.560 -28.616 611 HD23 LEU 73 2HD2 LEU 73 17.867 10.401 -29.729 612 H ARG 74 H ARG 74 19.341 15.251 -28.926 613 HA ARG 74 HA ARG 74 18.448 17.983 -29.579 614 HB2 ARG 74 2HB ARG 74 20.563 18.728 -28.435 615 HB3 ARG 74 3HB ARG 74 19.355 18.015 -27.374 616 HG2 ARG 74 2HG ARG 74 20.727 16.382 -26.744 617 HG3 ARG 74 3HG ARG 74 21.226 16.048 -28.403 618 HD2 ARG 74 2HD ARG 74 22.266 18.565 -27.344 619 HD3 ARG 74 3HD ARG 74 22.805 17.144 -26.449 620 HE ARG 74 HE ARG 74 23.529 17.885 -29.139 621 HH11 ARG 74 1HH1 ARG 74 23.307 15.300 -26.817 622 HH12 ARG 74 2HH1 ARG 74 24.502 14.320 -27.599 623 HH21 ARG 74 1HH2 ARG 74 25.104 16.604 -30.177 624 HH22 ARG 74 2HH2 ARG 74 25.525 15.063 -29.510 625 H GLY 75 H GLY 75 18.867 18.406 -31.646 626 HA2 GLY 75 2HA GLY 75 20.483 19.009 -33.304 627 HA3 GLY 75 3HA GLY 75 21.547 17.762 -32.671 628 H GLY 76 H GLY 76 19.676 18.547 -35.233 629 HA2 GLY 76 2HA GLY 76 19.870 15.996 -36.428 630 HA3 GLY 76 3HA GLY 76 18.228 16.238 -35.849 Start of MODEL 3 1 H1 GLY 0 H GLY 0 5.960 3.750 3.080 2 HA2 GLY 0 2HA GLY 0 3.950 5.115 2.370 3 HA3 GLY 0 3HA GLY 0 5.406 5.439 1.440 4 H MET 1 H MET 1 4.189 6.092 -0.363 5 HA MET 1 HA MET 1 2.713 3.933 -1.715 6 HB2 MET 1 2HB MET 1 2.502 6.919 -2.141 7 HB3 MET 1 3HB MET 1 1.552 5.691 -2.968 8 HG2 MET 1 2HG MET 1 0.179 5.371 -1.211 9 HG3 MET 1 3HG MET 1 1.454 5.639 -0.025 10 HE1 MET 1 3HE MET 1 1.231 8.858 1.230 11 HE2 MET 1 1HE MET 1 2.294 7.528 0.770 12 HE3 MET 1 2HE MET 1 2.296 9.021 -0.167 13 H GLN 2 H GLN 2 4.302 2.928 -2.866 14 HA GLN 2 HA GLN 2 6.240 4.452 -4.374 15 HB2 GLN 2 2HB GLN 2 5.800 1.603 -3.706 16 HB3 GLN 2 3HB GLN 2 6.597 1.920 -5.241 17 HG2 GLN 2 2HG GLN 2 8.491 2.639 -4.267 18 HG3 GLN 2 3HG GLN 2 7.638 3.417 -2.934 19 HE21 GLN 2 1HE2 GLN 2 9.371 2.483 -1.650 20 HE22 GLN 2 2HE2 GLN 2 9.224 0.851 -1.102 21 H ILE 3 H ILE 3 6.455 4.447 -6.637 22 HA ILE 3 HA ILE 3 4.011 3.702 -8.106 23 HB ILE 3 HB ILE 3 4.544 5.615 -9.650 24 HG12 ILE 3 2HG1 ILE 3 6.315 6.512 -7.367 25 HG13 ILE 3 3HG1 ILE 3 6.914 5.863 -8.890 26 HG21 ILE 3 1HG2 ILE 3 3.950 6.406 -6.803 27 HG22 ILE 3 2HG2 ILE 3 3.476 7.269 -8.265 28 HG23 ILE 3 3HG2 ILE 3 2.782 5.687 -7.911 29 HD11 ILE 3 3HD1 ILE 3 5.180 7.902 -9.626 30 HD12 ILE 3 1HD1 ILE 3 6.062 8.532 -8.235 31 HD13 ILE 3 2HD1 ILE 3 6.943 7.941 -9.645 32 H PHE 4 H PHE 4 4.417 3.516 -10.511 33 HA PHE 4 HA PHE 4 7.092 2.422 -11.057 34 HB2 PHE 4 2HB PHE 4 4.633 0.975 -10.941 35 HB3 PHE 4 3HB PHE 4 5.180 1.002 -12.615 36 HD1 PHE 4 HD1 PHE 4 7.397 0.076 -13.202 37 HD2 PHE 4 HD2 PHE 4 5.750 -0.309 -9.296 38 HE1 PHE 4 HE1 PHE 4 8.997 -1.727 -12.709 39 HE2 PHE 4 HE2 PHE 4 7.349 -2.111 -8.796 40 HZ PHE 4 HZ PHE 4 8.975 -2.822 -10.503 41 H VAL 5 H VAL 5 7.939 2.856 -13.043 42 HA VAL 5 HA VAL 5 6.261 4.425 -14.891 43 HB VAL 5 HB VAL 5 7.891 5.877 -13.782 44 HG11 VAL 5 1HG1 VAL 5 9.552 3.981 -13.434 45 HG12 VAL 5 2HG1 VAL 5 10.079 4.285 -15.090 46 HG13 VAL 5 3HG1 VAL 5 10.218 5.554 -13.872 47 HG21 VAL 5 3HG2 VAL 5 7.898 7.004 -15.696 48 HG22 VAL 5 1HG2 VAL 5 9.244 6.018 -16.268 49 HG23 VAL 5 2HG2 VAL 5 7.585 5.515 -16.588 50 H LYS 6 H LYS 6 6.112 3.649 -16.890 51 HA LYS 6 HA LYS 6 7.920 1.477 -17.680 52 HB2 LYS 6 2HB LYS 6 6.174 1.072 -19.465 53 HB3 LYS 6 3HB LYS 6 5.647 0.800 -17.809 54 HG2 LYS 6 2HG LYS 6 4.486 2.906 -17.779 55 HG3 LYS 6 3HG LYS 6 5.115 3.315 -19.377 56 HD2 LYS 6 2HD LYS 6 3.778 0.744 -19.373 57 HD3 LYS 6 3HD LYS 6 2.714 2.035 -18.810 58 HE2 LYS 6 2HE LYS 6 3.119 3.307 -20.813 59 HE3 LYS 6 3HE LYS 6 4.335 2.149 -21.351 60 HZ1 LYS 6 3HZ LYS 6 2.460 1.550 -22.536 61 HZ2 LYS 6 1HZ LYS 6 1.406 1.833 -21.244 62 HZ3 LYS 6 2HZ LYS 6 2.413 0.475 -21.231 63 H THR 7 H THR 7 9.116 1.544 -19.539 64 HA THR 7 HA THR 7 9.348 4.181 -20.806 65 HB THR 7 HB THR 7 11.359 2.153 -21.501 66 HG1 THR 7 HG1 THR 7 10.710 2.674 -18.864 67 HG21 THR 7 3HG2 THR 7 12.152 4.662 -20.204 68 HG22 THR 7 1HG2 THR 7 11.157 4.870 -21.644 69 HG23 THR 7 2HG2 THR 7 12.670 3.968 -21.740 70 H LEU 8 H LEU 8 10.223 3.943 -23.180 71 HA LEU 8 HA LEU 8 8.169 2.478 -24.622 72 HB2 LEU 8 2HB LEU 8 10.247 4.472 -25.504 73 HB3 LEU 8 3HB LEU 8 9.114 3.687 -26.603 74 HG LEU 8 HG LEU 8 8.281 5.436 -24.292 75 HD11 LEU 8 1HD1 LEU 8 7.693 6.710 -26.697 76 HD12 LEU 8 2HD1 LEU 8 9.354 6.144 -26.872 77 HD13 LEU 8 3HD1 LEU 8 8.914 7.178 -25.513 78 HD21 LEU 8 3HD2 LEU 8 6.453 4.112 -24.797 79 HD22 LEU 8 1HD2 LEU 8 6.854 4.032 -26.513 80 HD23 LEU 8 2HD2 LEU 8 6.192 5.518 -25.831 81 H THR 9 H THR 9 10.856 1.446 -23.356 82 HA THR 9 HA THR 9 11.750 -0.054 -25.730 83 HB THR 9 HB THR 9 13.449 -0.136 -23.318 84 HG1 THR 9 HG1 THR 9 13.394 1.979 -23.115 85 HG21 THR 9 3HG2 THR 9 15.223 0.078 -24.975 86 HG22 THR 9 1HG2 THR 9 14.031 0.410 -26.231 87 HG23 THR 9 2HG2 THR 9 14.079 -1.174 -25.458 88 H GLY 10 H GLY 10 9.831 -0.354 -23.089 89 HA2 GLY 10 2HA GLY 10 8.726 -2.352 -22.494 90 HA3 GLY 10 3HA GLY 10 10.077 -3.267 -23.148 91 H LYS 11 H LYS 11 11.066 -0.691 -21.191 92 HA LYS 11 HA LYS 11 11.672 -2.571 -19.018 93 HB2 LYS 11 2HB LYS 11 13.130 -0.421 -20.299 94 HB3 LYS 11 3HB LYS 11 13.054 -0.179 -18.558 95 HG2 LYS 11 2HG LYS 11 14.982 -1.408 -18.787 96 HG3 LYS 11 3HG LYS 11 13.792 -2.666 -18.441 97 HD2 LYS 11 2HD LYS 11 13.553 -2.826 -21.007 98 HD3 LYS 11 3HD LYS 11 15.088 -1.957 -21.051 99 HE2 LYS 11 2HE LYS 11 15.857 -4.108 -21.057 100 HE3 LYS 11 3HE LYS 11 15.792 -3.820 -19.319 101 HZ1 LYS 11 3HZ LYS 11 14.282 -5.657 -20.921 102 HZ2 LYS 11 1HZ LYS 11 13.301 -4.722 -19.909 103 HZ3 LYS 11 2HZ LYS 11 14.551 -5.650 -19.251 104 H THR 12 H THR 12 11.334 -1.991 -16.844 105 HA THR 12 HA THR 12 9.567 0.318 -16.396 106 HB THR 12 HB THR 12 8.384 -1.149 -14.659 107 HG1 THR 12 HG1 THR 12 8.469 -3.454 -15.576 108 HG21 THR 12 3HG2 THR 12 7.434 -0.412 -16.860 109 HG22 THR 12 1HG2 THR 12 6.784 -1.935 -16.257 110 HG23 THR 12 2HG2 THR 12 7.990 -1.939 -17.544 111 H ILE 13 H ILE 13 9.999 1.498 -14.614 112 HA ILE 13 HA ILE 13 12.014 0.440 -12.740 113 HB ILE 13 HB ILE 13 11.695 3.333 -13.540 114 HG12 ILE 13 2HG1 ILE 13 13.906 1.424 -14.318 115 HG13 ILE 13 3HG1 ILE 13 12.554 1.832 -15.368 116 HG21 ILE 13 1HG2 ILE 13 14.003 3.426 -12.431 117 HG22 ILE 13 2HG2 ILE 13 12.592 3.295 -11.383 118 HG23 ILE 13 3HG2 ILE 13 13.576 1.870 -11.719 119 HD11 ILE 13 3HD1 ILE 13 14.997 3.265 -14.877 120 HD12 ILE 13 1HD1 ILE 13 13.779 3.508 -16.129 121 HD13 ILE 13 2HD1 ILE 13 13.590 4.279 -14.554 122 H THR 14 H THR 14 11.818 1.018 -10.558 123 HA THR 14 HA THR 14 9.135 1.974 -9.806 124 HB THR 14 HB THR 14 9.461 -0.287 -9.057 125 HG1 THR 14 HG1 THR 14 8.451 0.482 -7.359 126 HG21 THR 14 3HG2 THR 14 12.023 0.737 -7.837 127 HG22 THR 14 1HG2 THR 14 11.852 -0.478 -9.102 128 HG23 THR 14 2HG2 THR 14 11.311 -0.832 -7.461 129 H LEU 15 H LEU 15 8.910 3.662 -8.432 130 HA LEU 15 HA LEU 15 11.246 4.692 -7.017 131 HB2 LEU 15 2HB LEU 15 10.289 5.814 -9.430 132 HB3 LEU 15 3HB LEU 15 9.842 6.916 -8.129 133 HG LEU 15 HG LEU 15 12.305 6.790 -7.431 134 HD11 LEU 15 1HD1 LEU 15 13.153 4.975 -8.626 135 HD12 LEU 15 2HD1 LEU 15 13.769 6.382 -9.492 136 HD13 LEU 15 3HD1 LEU 15 12.390 5.488 -10.131 137 HD21 LEU 15 3HD2 LEU 15 12.354 8.110 -10.021 138 HD22 LEU 15 1HD2 LEU 15 12.492 8.790 -8.399 139 HD23 LEU 15 2HD2 LEU 15 10.900 8.480 -9.093 140 H GLU 16 H GLU 16 10.532 6.691 -5.672 141 HA GLU 16 HA GLU 16 7.828 6.203 -4.610 142 HB2 GLU 16 2HB GLU 16 9.526 5.279 -3.097 143 HB3 GLU 16 3HB GLU 16 10.323 6.844 -3.028 144 HG2 GLU 16 2HG GLU 16 8.286 7.800 -2.020 145 HG3 GLU 16 3HG GLU 16 7.565 6.192 -2.017 146 H VAL 17 H VAL 17 6.575 7.950 -4.278 147 HA VAL 17 HA VAL 17 7.793 10.610 -4.240 148 HB VAL 17 HB VAL 17 7.014 9.890 -6.611 149 HG11 VAL 17 1HG1 VAL 17 4.768 9.123 -5.582 150 HG12 VAL 17 2HG1 VAL 17 4.343 10.835 -5.643 151 HG13 VAL 17 3HG1 VAL 17 4.754 9.974 -7.127 152 HG21 VAL 17 3HG2 VAL 17 7.559 12.233 -5.623 153 HG22 VAL 17 1HG2 VAL 17 6.724 12.115 -7.171 154 HG23 VAL 17 2HG2 VAL 17 5.814 12.475 -5.704 155 H GLU 18 H GLU 18 6.118 12.314 -3.725 156 HA GLU 18 HA GLU 18 4.036 11.214 -1.955 157 HB2 GLU 18 2HB GLU 18 6.237 13.043 -1.354 158 HB3 GLU 18 3HB GLU 18 4.670 13.668 -0.861 159 HG2 GLU 18 2HG GLU 18 4.879 12.468 0.985 160 HG3 GLU 18 3HG GLU 18 4.650 11.031 -0.010 161 HA PRO 19 HA PRO 19 1.102 13.879 -3.831 162 HB2 PRO 19 2HB PRO 19 -0.337 14.807 -1.724 163 HB3 PRO 19 3HB PRO 19 -0.440 13.138 -2.297 164 HG2 PRO 19 2HG PRO 19 1.116 14.258 0.003 165 HG3 PRO 19 3HG PRO 19 0.157 12.769 -0.080 166 HD2 PRO 19 2HD PRO 19 2.856 12.777 -0.294 167 HD3 PRO 19 3HD PRO 19 1.834 11.598 -1.142 168 H SER 20 H SER 20 2.943 15.272 -1.175 169 HA SER 20 HA SER 20 2.289 17.988 -1.917 170 HB2 SER 20 2HB SER 20 3.240 16.740 0.405 171 HB3 SER 20 3HB SER 20 4.573 17.754 -0.149 172 HG SER 20 HG SER 20 2.623 19.330 -0.412 173 H ASP 21 H ASP 21 4.240 15.724 -3.246 174 HA ASP 21 HA ASP 21 6.516 17.424 -3.824 175 HB2 ASP 21 2HB ASP 21 6.011 14.629 -3.837 176 HB3 ASP 21 3HB ASP 21 6.459 15.090 -5.477 177 H THR 22 H THR 22 6.791 18.631 -5.595 178 HA THR 22 HA THR 22 4.686 18.544 -7.644 179 HB THR 22 HB THR 22 5.001 20.708 -6.484 180 HG1 THR 22 HG1 THR 22 5.909 21.095 -9.124 181 HG21 THR 22 3HG2 THR 22 7.599 21.066 -7.920 182 HG22 THR 22 1HG2 THR 22 7.577 20.271 -6.347 183 HG23 THR 22 2HG2 THR 22 6.971 21.919 -6.511 184 H ILE 23 H ILE 23 5.257 18.747 -9.872 185 HA ILE 23 HA ILE 23 7.184 17.026 -10.796 186 HB ILE 23 HB ILE 23 6.202 19.476 -12.263 187 HG12 ILE 23 2HG1 ILE 23 4.305 18.196 -11.493 188 HG13 ILE 23 3HG1 ILE 23 4.510 17.902 -13.216 189 HG21 ILE 23 1HG2 ILE 23 7.303 16.868 -13.303 190 HG22 ILE 23 2HG2 ILE 23 6.698 18.203 -14.283 191 HG23 ILE 23 3HG2 ILE 23 8.147 18.417 -13.300 192 HD11 ILE 23 3HD1 ILE 23 3.973 15.856 -12.039 193 HD12 ILE 23 1HD1 ILE 23 5.598 15.774 -12.719 194 HD13 ILE 23 2HD1 ILE 23 5.377 16.069 -10.994 195 H GLU 24 H GLU 24 7.527 20.390 -9.916 196 HA GLU 24 HA GLU 24 10.022 20.873 -11.146 197 HB2 GLU 24 2HB GLU 24 8.358 22.555 -10.125 198 HB3 GLU 24 3HB GLU 24 9.129 22.183 -8.590 199 HG2 GLU 24 2HG GLU 24 11.261 22.698 -10.246 200 HG3 GLU 24 3HG GLU 24 10.043 23.853 -10.782 201 H ASN 25 H ASN 25 9.178 19.896 -7.832 202 HA ASN 25 HA ASN 25 11.884 19.673 -6.973 203 HB2 ASN 25 2HB ASN 25 9.340 19.573 -5.766 204 HB3 ASN 25 3HB ASN 25 10.098 18.019 -5.428 205 HD21 ASN 25 1HD2 ASN 25 9.543 20.763 -4.013 206 HD22 ASN 25 2HD2 ASN 25 11.001 21.010 -3.120 207 H VAL 26 H VAL 26 9.570 17.479 -8.414 208 HA VAL 26 HA VAL 26 10.989 15.077 -7.871 209 HB VAL 26 HB VAL 26 9.005 15.634 -10.081 210 HG11 VAL 26 1HG1 VAL 26 8.641 13.105 -9.781 211 HG12 VAL 26 2HG1 VAL 26 10.066 13.643 -10.672 212 HG13 VAL 26 3HG1 VAL 26 10.219 13.117 -8.995 213 HG21 VAL 26 3HG2 VAL 26 8.670 15.457 -7.244 214 HG22 VAL 26 1HG2 VAL 26 7.458 15.747 -8.492 215 HG23 VAL 26 2HG2 VAL 26 7.859 14.096 -8.020 216 H LYS 27 H LYS 27 10.852 17.243 -10.677 217 HA LYS 27 HA LYS 27 12.417 15.795 -12.448 218 HB2 LYS 27 2HB LYS 27 11.323 17.718 -13.279 219 HB3 LYS 27 3HB LYS 27 12.042 18.756 -12.055 220 HG2 LYS 27 2HG LYS 27 13.940 17.401 -13.851 221 HG3 LYS 27 3HG LYS 27 12.898 18.613 -14.599 222 HD2 LYS 27 2HD LYS 27 13.892 20.326 -13.511 223 HD3 LYS 27 3HD LYS 27 14.123 19.390 -12.032 224 HE2 LYS 27 2HE LYS 27 16.024 18.257 -13.002 225 HE3 LYS 27 3HE LYS 27 15.754 19.061 -14.548 226 HZ1 LYS 27 3HZ LYS 27 16.311 21.150 -13.589 227 HZ2 LYS 27 1HZ LYS 27 17.537 20.062 -13.168 228 HZ3 LYS 27 2HZ LYS 27 16.367 20.501 -12.028 229 H ALA 28 H ALA 28 13.416 18.020 -9.884 230 HA ALA 28 HA ALA 28 16.151 18.100 -10.448 231 HB1 ALA 28 1HB ALA 28 15.301 19.668 -8.904 232 HB2 ALA 28 2HB ALA 28 14.632 18.404 -7.871 233 HB3 ALA 28 3HB ALA 28 16.379 18.621 -7.981 234 H LYS 29 H LYS 29 14.236 15.760 -8.643 235 HA LYS 29 HA LYS 29 16.425 14.305 -7.577 236 HB2 LYS 29 2HB LYS 29 13.508 13.994 -7.740 237 HB3 LYS 29 3HB LYS 29 14.392 12.474 -7.724 238 HG2 LYS 29 2HG LYS 29 15.629 13.789 -5.714 239 HG3 LYS 29 3HG LYS 29 13.999 14.457 -5.596 240 HD2 LYS 29 2HD LYS 29 13.068 12.443 -5.037 241 HD3 LYS 29 3HD LYS 29 14.287 11.513 -5.913 242 HE2 LYS 29 2HE LYS 29 15.342 13.049 -3.655 243 HE3 LYS 29 3HE LYS 29 14.172 11.813 -3.197 244 HZ1 LYS 29 3HZ LYS 29 15.835 10.608 -5.025 245 HZ2 LYS 29 1HZ LYS 29 15.823 10.363 -3.351 246 HZ3 LYS 29 2HZ LYS 29 16.869 11.505 -4.031 247 H ILE 30 H ILE 30 14.621 14.126 -10.581 248 HA ILE 30 HA ILE 30 15.659 11.622 -11.435 249 HB ILE 30 HB ILE 30 14.267 13.880 -12.833 250 HG12 ILE 30 2HG1 ILE 30 12.934 11.571 -13.396 251 HG13 ILE 30 3HG1 ILE 30 13.624 11.183 -11.824 252 HG21 ILE 30 1HG2 ILE 30 15.812 11.655 -14.073 253 HG22 ILE 30 2HG2 ILE 30 14.306 12.175 -14.827 254 HG23 ILE 30 3HG2 ILE 30 15.621 13.327 -14.600 255 HD11 ILE 30 3HD1 ILE 30 12.295 12.636 -10.735 256 HD12 ILE 30 1HD1 ILE 30 12.306 13.807 -12.053 257 HD13 ILE 30 2HD1 ILE 30 11.263 12.388 -12.144 258 H GLN 31 H GLN 31 16.621 14.981 -11.981 259 HA GLN 31 HA GLN 31 18.702 14.375 -13.821 260 HB2 GLN 31 2HB GLN 31 17.624 16.736 -12.511 261 HB3 GLN 31 3HB GLN 31 19.378 16.790 -12.619 262 HG2 GLN 31 2HG GLN 31 18.929 16.088 -15.105 263 HG3 GLN 31 3HG GLN 31 17.343 16.787 -14.784 264 HE21 GLN 31 1HE2 GLN 31 20.739 17.580 -14.105 265 HE22 GLN 31 2HE2 GLN 31 20.625 19.235 -14.587 266 H ASP 32 H ASP 32 18.502 14.571 -10.341 267 HA ASP 32 HA ASP 32 21.328 14.606 -9.891 268 HB2 ASP 32 2HB ASP 32 19.614 15.450 -8.261 269 HB3 ASP 32 3HB ASP 32 19.155 13.776 -7.960 270 H LYS 33 H LYS 33 19.213 12.233 -10.932 271 HA LYS 33 HA LYS 33 20.876 10.063 -9.846 272 HB2 LYS 33 2HB LYS 33 18.173 10.269 -9.813 273 HB3 LYS 33 3HB LYS 33 18.403 9.392 -11.320 274 HG2 LYS 33 2HG LYS 33 19.286 7.543 -10.268 275 HG3 LYS 33 3HG LYS 33 19.786 8.461 -8.846 276 HD2 LYS 33 2HD LYS 33 17.039 8.776 -8.898 277 HD3 LYS 33 3HD LYS 33 17.277 7.100 -9.399 278 HE2 LYS 33 2HE LYS 33 17.057 7.162 -7.011 279 HE3 LYS 33 3HE LYS 33 18.729 6.771 -7.411 280 HZ1 LYS 33 3HZ LYS 33 18.010 9.579 -6.965 281 HZ2 LYS 33 1HZ LYS 33 19.475 8.784 -6.676 282 HZ3 LYS 33 2HZ LYS 33 18.171 8.565 -5.621 283 H GLU 34 H GLU 34 19.428 11.290 -12.840 284 HA GLU 34 HA GLU 34 21.420 9.719 -14.340 285 HB2 GLU 34 2HB GLU 34 18.525 10.244 -14.892 286 HB3 GLU 34 3HB GLU 34 19.630 10.013 -16.240 287 HG2 GLU 34 2HG GLU 34 20.130 7.817 -15.604 288 HG3 GLU 34 3HG GLU 34 19.456 8.041 -13.991 289 H GLY 35 H GLY 35 19.695 12.757 -14.014 290 HA2 GLY 35 2HA GLY 35 20.483 14.881 -14.547 291 HA3 GLY 35 3HA GLY 35 21.863 14.139 -15.344 292 H ILE 36 H ILE 36 18.766 12.948 -16.218 293 HA ILE 36 HA ILE 36 19.092 13.626 -18.935 294 HB ILE 36 HB ILE 36 17.759 11.711 -18.327 295 HG12 ILE 36 2HG1 ILE 36 15.998 13.845 -19.551 296 HG13 ILE 36 3HG1 ILE 36 17.203 12.905 -20.423 297 HG21 ILE 36 1HG2 ILE 36 15.321 12.812 -17.449 298 HG22 ILE 36 2HG2 ILE 36 16.431 11.778 -16.551 299 HG23 ILE 36 3HG2 ILE 36 16.591 13.532 -16.459 300 HD11 ILE 36 3HD1 ILE 36 15.954 10.965 -20.312 301 HD12 ILE 36 1HD1 ILE 36 14.998 11.538 -18.945 302 HD13 ILE 36 2HD1 ILE 36 14.730 12.211 -20.554 303 HA PRO 37 HA PRO 37 17.675 17.823 -18.871 304 HB2 PRO 37 2HB PRO 37 17.482 18.144 -21.560 305 HB3 PRO 37 3HB PRO 37 19.027 18.135 -20.702 306 HG2 PRO 37 2HG PRO 37 17.693 15.931 -22.226 307 HG3 PRO 37 3HG PRO 37 19.398 16.417 -22.226 308 HD2 PRO 37 2HD PRO 37 18.487 14.301 -20.804 309 HD3 PRO 37 3HD PRO 37 19.845 15.305 -20.257 310 HA PRO 38 HA PRO 38 13.285 16.823 -19.121 311 HB2 PRO 38 2HB PRO 38 12.472 19.037 -17.777 312 HB3 PRO 38 3HB PRO 38 13.107 17.601 -16.966 313 HG2 PRO 38 2HG PRO 38 14.495 20.166 -17.638 314 HG3 PRO 38 3HG PRO 38 14.572 19.210 -16.147 315 HD2 PRO 38 2HD PRO 38 16.506 19.114 -18.040 316 HD3 PRO 38 3HD PRO 38 16.083 17.713 -17.035 317 H ASP 39 H ASP 39 15.114 19.236 -20.574 318 HA ASP 39 HA ASP 39 13.057 20.908 -21.599 319 HB2 ASP 39 2HB ASP 39 15.943 20.644 -21.884 320 HB3 ASP 39 3HB ASP 39 15.161 21.054 -23.409 321 H GLN 40 H GLN 40 14.323 17.826 -22.516 322 HA GLN 40 HA GLN 40 12.691 17.900 -24.969 323 HB2 GLN 40 2HB GLN 40 14.230 16.066 -25.783 324 HB3 GLN 40 3HB GLN 40 14.952 17.664 -25.648 325 HG2 GLN 40 2HG GLN 40 16.055 17.060 -23.611 326 HG3 GLN 40 3HG GLN 40 15.211 15.514 -23.561 327 HE21 GLN 40 1HE2 GLN 40 16.856 14.116 -23.721 328 HE22 GLN 40 2HE2 GLN 40 17.969 14.049 -25.041 329 H GLN 41 H GLN 41 12.440 16.934 -21.967 330 HA GLN 41 HA GLN 41 11.534 14.203 -22.508 331 HB2 GLN 41 2HB GLN 41 13.025 14.691 -20.544 332 HB3 GLN 41 3HB GLN 41 11.703 15.616 -19.844 333 HG2 GLN 41 2HG GLN 41 10.318 13.634 -19.762 334 HG3 GLN 41 3HG GLN 41 11.584 12.692 -20.548 335 HE21 GLN 41 1HE2 GLN 41 10.651 11.762 -18.236 336 HE22 GLN 41 2HE2 GLN 41 11.789 11.998 -16.958 337 H ARG 42 H ARG 42 9.452 13.734 -22.756 338 HA ARG 42 HA ARG 42 7.457 15.689 -21.816 339 HB2 ARG 42 2HB ARG 42 7.566 14.122 -24.385 340 HB3 ARG 42 3HB ARG 42 6.059 14.790 -23.773 341 HG2 ARG 42 2HG ARG 42 6.662 16.937 -24.222 342 HG3 ARG 42 3HG ARG 42 8.383 16.616 -24.004 343 HD2 ARG 42 2HD ARG 42 7.078 15.239 -26.264 344 HD3 ARG 42 3HD ARG 42 7.223 16.991 -26.404 345 HE ARG 42 HE ARG 42 9.695 15.923 -25.603 346 HH11 ARG 42 1HH1 ARG 42 7.582 16.022 -28.368 347 HH12 ARG 42 2HH1 ARG 42 8.866 15.856 -29.519 348 HH21 ARG 42 1HH2 ARG 42 11.394 15.706 -27.108 349 HH22 ARG 42 2HH2 ARG 42 11.034 15.676 -28.801 350 H LEU 43 H LEU 43 6.509 14.816 -20.088 351 HA LEU 43 HA LEU 43 6.104 11.939 -19.922 352 HB2 LEU 43 2HB LEU 43 5.835 14.222 -18.005 353 HB3 LEU 43 3HB LEU 43 5.097 12.662 -17.645 354 HG LEU 43 HG LEU 43 7.732 12.058 -18.317 355 HD11 LEU 43 1HD1 LEU 43 8.170 14.517 -18.093 356 HD12 LEU 43 2HD1 LEU 43 9.117 13.486 -17.021 357 HD13 LEU 43 3HD1 LEU 43 7.727 14.371 -16.392 358 HD21 LEU 43 3HD2 LEU 43 7.026 10.771 -16.616 359 HD22 LEU 43 1HD2 LEU 43 5.995 12.038 -15.950 360 HD23 LEU 43 2HD2 LEU 43 7.724 12.035 -15.603 361 H ILE 44 H ILE 44 4.206 10.926 -20.185 362 HA ILE 44 HA ILE 44 1.775 12.572 -20.422 363 HB ILE 44 HB ILE 44 2.379 10.155 -22.125 364 HG12 ILE 44 2HG1 ILE 44 2.472 13.085 -22.877 365 HG13 ILE 44 3HG1 ILE 44 3.876 12.044 -22.672 366 HG21 ILE 44 1HG2 ILE 44 0.013 10.515 -21.752 367 HG22 ILE 44 2HG2 ILE 44 0.170 12.204 -22.232 368 HG23 ILE 44 3HG2 ILE 44 0.428 10.923 -23.416 369 HD11 ILE 44 3HD1 ILE 44 1.716 11.731 -24.742 370 HD12 ILE 44 1HD1 ILE 44 3.354 12.326 -25.013 371 HD13 ILE 44 2HD1 ILE 44 3.094 10.650 -24.527 372 H PHE 45 H PHE 45 -0.095 11.731 -19.579 373 HA PHE 45 HA PHE 45 -0.269 9.001 -18.697 374 HB2 PHE 45 2HB PHE 45 0.978 9.740 -16.817 375 HB3 PHE 45 3HB PHE 45 0.062 11.239 -16.704 376 HD1 PHE 45 HD1 PHE 45 -0.014 7.619 -16.089 377 HD2 PHE 45 HD2 PHE 45 -2.034 11.330 -15.571 378 HE1 PHE 45 HE1 PHE 45 -1.526 6.565 -14.459 379 HE2 PHE 45 HE2 PHE 45 -3.548 10.282 -13.939 380 HZ PHE 45 HZ PHE 45 -3.295 7.896 -13.380 381 H ALA 46 H ALA 46 -2.333 8.358 -18.737 382 HA ALA 46 HA ALA 46 -4.599 8.401 -18.940 383 HB1 ALA 46 1HB ALA 46 -4.229 9.593 -16.678 384 HB2 ALA 46 2HB ALA 46 -4.669 11.056 -17.559 385 HB3 ALA 46 3HB ALA 46 -5.807 9.713 -17.456 386 H GLY 47 H GLY 47 -2.819 9.795 -20.908 387 HA2 GLY 47 2HA GLY 47 -3.280 10.722 -22.984 388 HA3 GLY 47 3HA GLY 47 -4.942 10.969 -22.469 389 H LYS 48 H LYS 48 -3.165 12.235 -20.055 390 HA LYS 48 HA LYS 48 -3.280 14.925 -21.240 391 HB2 LYS 48 2HB LYS 48 -3.777 13.862 -18.502 392 HB3 LYS 48 3HB LYS 48 -3.110 15.484 -18.641 393 HG2 LYS 48 2HG LYS 48 -5.402 15.833 -18.542 394 HG3 LYS 48 3HG LYS 48 -5.042 15.926 -20.268 395 HD2 LYS 48 2HD LYS 48 -5.643 13.218 -19.373 396 HD3 LYS 48 3HD LYS 48 -6.973 14.346 -19.099 397 HE2 LYS 48 2HE LYS 48 -5.954 14.889 -21.671 398 HE3 LYS 48 3HE LYS 48 -6.099 13.137 -21.542 399 HZ1 LYS 48 3HZ LYS 48 -8.405 13.431 -20.844 400 HZ2 LYS 48 1HZ LYS 48 -8.135 14.101 -22.374 401 HZ3 LYS 48 2HZ LYS 48 -8.259 15.107 -21.020 402 H GLN 49 H GLN 49 -1.488 16.141 -21.389 403 HA GLN 49 HA GLN 49 1.059 14.952 -20.950 404 HB2 GLN 49 2HB GLN 49 0.008 17.288 -22.266 405 HB3 GLN 49 3HB GLN 49 1.411 17.724 -21.298 406 HG2 GLN 49 2HG GLN 49 2.479 15.634 -22.451 407 HG3 GLN 49 3HG GLN 49 1.218 15.913 -23.651 408 HE21 GLN 49 1HE2 GLN 49 4.312 16.376 -23.236 409 HE22 GLN 49 2HE2 GLN 49 4.545 17.908 -23.999 410 H LEU 50 H LEU 50 2.044 14.771 -19.059 411 HA LEU 50 HA LEU 50 1.258 15.881 -16.663 412 HB2 LEU 50 2HB LEU 50 2.748 14.029 -16.679 413 HB3 LEU 50 3HB LEU 50 3.962 14.934 -17.581 414 HG LEU 50 HG LEU 50 4.370 16.342 -15.623 415 HD11 LEU 50 1HD1 LEU 50 2.833 16.523 -14.038 416 HD12 LEU 50 2HD1 LEU 50 3.160 14.857 -13.563 417 HD13 LEU 50 3HD1 LEU 50 1.899 15.205 -14.745 418 HD21 LEU 50 3HD2 LEU 50 5.871 14.590 -15.682 419 HD22 LEU 50 1HD2 LEU 50 4.623 13.371 -15.421 420 HD23 LEU 50 2HD2 LEU 50 5.151 14.393 -14.084 421 H GLU 51 H GLU 51 1.039 17.972 -16.214 422 HA GLU 51 HA GLU 51 2.773 19.953 -17.417 423 HB2 GLU 51 2HB GLU 51 0.422 20.167 -15.535 424 HB3 GLU 51 3HB GLU 51 1.336 21.558 -16.100 425 HG2 GLU 51 2HG GLU 51 -0.113 21.649 -17.777 426 HG3 GLU 51 3HG GLU 51 0.720 20.240 -18.430 427 H ASP 52 H ASP 52 4.404 21.023 -16.455 428 HA ASP 52 HA ASP 52 5.564 19.981 -14.093 429 HB2 ASP 52 2HB ASP 52 6.151 22.290 -15.901 430 HB3 ASP 52 3HB ASP 52 6.961 22.203 -14.339 431 H GLY 53 H GLY 53 3.283 22.512 -14.690 432 HA2 GLY 53 2HA GLY 53 3.701 23.835 -12.155 433 HA3 GLY 53 3HA GLY 53 2.429 24.180 -13.318 434 H ARG 54 H ARG 54 2.332 20.942 -12.923 435 HA ARG 54 HA ARG 54 0.148 21.160 -10.985 436 HB2 ARG 54 2HB ARG 54 0.779 19.363 -13.247 437 HB3 ARG 54 3HB ARG 54 0.009 18.603 -11.861 438 HG2 ARG 54 2HG ARG 54 -1.589 19.345 -13.586 439 HG3 ARG 54 3HG ARG 54 -1.865 20.096 -12.013 440 HD2 ARG 54 2HD ARG 54 -1.010 22.155 -12.716 441 HD3 ARG 54 3HD ARG 54 -0.194 21.443 -14.107 442 HE ARG 54 HE ARG 54 -3.043 21.169 -14.222 443 HH11 ARG 54 1HH1 ARG 54 -0.371 23.308 -14.856 444 HH12 ARG 54 2HH1 ARG 54 -1.212 24.210 -16.073 445 HH21 ARG 54 1HH2 ARG 54 -4.161 22.349 -15.822 446 HH22 ARG 54 2HH2 ARG 54 -3.368 23.664 -16.621 447 H THR 55 H THR 55 -0.109 19.444 -9.373 448 HA THR 55 HA THR 55 2.506 18.548 -8.352 449 HB THR 55 HB THR 55 1.836 18.913 -6.182 450 HG1 THR 55 HG1 THR 55 -0.564 19.175 -5.769 451 HG21 THR 55 3HG2 THR 55 1.051 21.099 -6.031 452 HG22 THR 55 1HG2 THR 55 -0.044 20.907 -7.400 453 HG23 THR 55 2HG2 THR 55 1.695 21.030 -7.671 454 H LEU 56 H LEU 56 2.467 16.538 -7.063 455 HA LEU 56 HA LEU 56 1.450 14.387 -8.499 456 HB2 LEU 56 2HB LEU 56 2.913 14.800 -6.059 457 HB3 LEU 56 3HB LEU 56 1.731 13.510 -5.850 458 HG LEU 56 HG LEU 56 4.014 12.747 -6.516 459 HD11 LEU 56 1HD1 LEU 56 2.709 11.020 -7.056 460 HD12 LEU 56 2HD1 LEU 56 2.870 11.583 -8.719 461 HD13 LEU 56 3HD1 LEU 56 1.469 12.059 -7.760 462 HD21 LEU 56 3HD2 LEU 56 4.196 14.779 -8.148 463 HD22 LEU 56 1HD2 LEU 56 3.415 13.681 -9.286 464 HD23 LEU 56 2HD2 LEU 56 4.958 13.241 -8.556 465 H SER 57 H SER 57 0.291 15.650 -5.370 466 HA SER 57 HA SER 57 -1.963 13.980 -5.204 467 HB2 SER 57 2HB SER 57 -2.445 15.102 -3.270 468 HB3 SER 57 3HB SER 57 -0.785 15.661 -3.474 469 HG SER 57 HG SER 57 -1.674 17.509 -4.564 470 H ASP 58 H ASP 58 -1.433 17.061 -6.773 471 HA ASP 58 HA ASP 58 -4.123 17.767 -7.221 472 HB2 ASP 58 2HB ASP 58 -2.209 19.323 -7.489 473 HB3 ASP 58 3HB ASP 58 -1.716 18.434 -8.928 474 H TYR 59 H TYR 59 -2.001 15.515 -8.794 475 HA TYR 59 HA TYR 59 -3.728 15.230 -11.110 476 HB2 TYR 59 2HB TYR 59 -1.023 14.381 -10.357 477 HB3 TYR 59 3HB TYR 59 -1.927 13.159 -11.245 478 HD1 TYR 59 HD2 TYR 59 -3.192 14.108 -13.390 479 HD2 TYR 59 HD1 TYR 59 0.211 15.903 -11.574 480 HE1 TYR 59 HE2 TYR 59 -2.677 15.256 -15.503 481 HE2 TYR 59 HE1 TYR 59 0.734 17.057 -13.681 482 HH TYR 59 HH TYR 59 -1.212 17.644 -15.989 483 H ASN 60 H ASN 60 -3.907 14.214 -8.013 484 HA ASN 60 HA ASN 60 -4.992 12.545 -6.909 485 HB2 ASN 60 2HB ASN 60 -6.644 13.378 -8.910 486 HB3 ASN 60 3HB ASN 60 -6.537 11.655 -9.259 487 HD21 ASN 60 1HD2 ASN 60 -8.169 13.963 -7.558 488 HD22 ASN 60 2HD2 ASN 60 -8.917 12.959 -6.368 489 H ILE 61 H ILE 61 -2.517 11.853 -8.146 490 HA ILE 61 HA ILE 61 -2.758 9.293 -9.409 491 HB ILE 61 HB ILE 61 -0.297 10.480 -8.126 492 HG12 ILE 61 2HG1 ILE 61 -1.382 10.806 -10.931 493 HG13 ILE 61 3HG1 ILE 61 -1.184 12.074 -9.726 494 HG21 ILE 61 1HG2 ILE 61 0.900 8.822 -9.075 495 HG22 ILE 61 2HG2 ILE 61 -0.640 7.965 -9.032 496 HG23 ILE 61 3HG2 ILE 61 -0.118 8.766 -10.514 497 HD11 ILE 61 3HD1 ILE 61 0.763 10.887 -11.552 498 HD12 ILE 61 1HD1 ILE 61 0.727 12.482 -10.803 499 HD13 ILE 61 2HD1 ILE 61 1.342 11.097 -9.900 500 H GLN 62 H GLN 62 -3.595 7.663 -8.257 501 HA GLN 62 HA GLN 62 -3.224 7.396 -5.434 502 HB2 GLN 62 2HB GLN 62 -4.838 6.171 -7.483 503 HB3 GLN 62 3HB GLN 62 -4.102 4.933 -6.474 504 HG2 GLN 62 2HG GLN 62 -5.072 5.860 -4.503 505 HG3 GLN 62 3HG GLN 62 -5.641 7.275 -5.387 506 HE21 GLN 62 1HE2 GLN 62 -5.790 3.782 -5.992 507 HE22 GLN 62 2HE2 GLN 62 -7.504 3.718 -6.201 508 H LYS 63 H LYS 63 -2.629 4.981 -4.722 509 HA LYS 63 HA LYS 63 0.166 4.723 -5.304 510 HB2 LYS 63 2HB LYS 63 0.130 2.908 -3.667 511 HB3 LYS 63 3HB LYS 63 -0.711 4.323 -3.048 512 HG2 LYS 63 2HG LYS 63 -2.859 3.262 -3.694 513 HG3 LYS 63 3HG LYS 63 -1.958 1.814 -4.149 514 HD2 LYS 63 2HD LYS 63 -2.315 1.171 -2.029 515 HD3 LYS 63 3HD LYS 63 -1.013 2.295 -1.633 516 HE2 LYS 63 2HE LYS 63 -2.650 4.059 -1.230 517 HE3 LYS 63 3HE LYS 63 -3.957 2.956 -1.657 518 HZ1 LYS 63 3HZ LYS 63 -2.106 2.184 0.483 519 HZ2 LYS 63 1HZ LYS 63 -3.741 1.798 0.283 520 HZ3 LYS 63 2HZ LYS 63 -3.295 3.339 0.821 521 H GLU 64 H GLU 64 1.227 3.080 -6.372 522 HA GLU 64 HA GLU 64 1.540 1.262 -7.730 523 HB2 GLU 64 2HB GLU 64 -1.421 0.719 -7.581 524 HB3 GLU 64 3HB GLU 64 -0.136 -0.409 -7.990 525 HG2 GLU 64 2HG GLU 64 0.716 -0.218 -5.681 526 HG3 GLU 64 3HG GLU 64 -0.656 0.818 -5.293 527 H SER 65 H SER 65 0.724 3.991 -8.553 528 HA SER 65 HA SER 65 -0.824 3.639 -10.963 529 HB2 SER 65 2HB SER 65 0.011 6.115 -11.280 530 HB3 SER 65 3HB SER 65 -1.212 5.741 -10.066 531 HG SER 65 HG SER 65 1.575 6.054 -9.629 532 H THR 66 H THR 66 -0.074 3.946 -13.086 533 HA THR 66 HA THR 66 2.815 3.463 -13.415 534 HB THR 66 HB THR 66 2.372 2.218 -15.395 535 HG1 THR 66 HG1 THR 66 0.741 3.088 -16.485 536 HG21 THR 66 3HG2 THR 66 1.720 0.383 -14.298 537 HG22 THR 66 1HG2 THR 66 0.106 1.036 -14.021 538 HG23 THR 66 2HG2 THR 66 1.419 1.429 -12.910 539 H LEU 67 H LEU 67 3.970 4.939 -14.474 540 HA LEU 67 HA LEU 67 2.522 6.999 -16.001 541 HB2 LEU 67 2HB LEU 67 4.487 7.172 -13.949 542 HB3 LEU 67 3HB LEU 67 5.181 7.812 -15.437 543 HG LEU 67 HG LEU 67 4.168 9.551 -14.009 544 HD11 LEU 67 1HD1 LEU 67 2.889 9.060 -16.691 545 HD12 LEU 67 2HD1 LEU 67 4.338 10.005 -16.347 546 HD13 LEU 67 3HD1 LEU 67 2.763 10.575 -15.795 547 HD21 LEU 67 3HD2 LEU 67 1.677 7.936 -14.491 548 HD22 LEU 67 1HD2 LEU 67 1.638 9.634 -14.014 549 HD23 LEU 67 2HD2 LEU 67 2.377 8.436 -12.951 550 H HIS 68 H HIS 68 3.373 7.717 -17.980 551 HA HIS 68 HA HIS 68 4.880 5.682 -19.404 552 HB2 HIS 68 2HB HIS 68 3.620 8.237 -20.424 553 HB3 HIS 68 3HB HIS 68 4.290 6.947 -21.418 554 HD1 HIS 68 HD1 HIS 68 1.564 7.331 -18.787 555 HD2 HIS 68 HD2 HIS 68 2.421 5.175 -22.233 556 HE1 HIS 68 HE1 HIS 68 -0.490 5.955 -19.247 557 H LEU 69 H LEU 69 6.895 5.922 -20.256 558 HA LEU 69 HA LEU 69 8.325 8.401 -19.557 559 HB2 LEU 69 2HB LEU 69 8.882 5.924 -18.643 560 HB3 LEU 69 3HB LEU 69 9.880 5.955 -20.095 561 HG LEU 69 HG LEU 69 10.031 7.999 -17.882 562 HD11 LEU 69 1HD1 LEU 69 12.237 6.097 -18.313 563 HD12 LEU 69 2HD1 LEU 69 10.773 5.427 -17.593 564 HD13 LEU 69 3HD1 LEU 69 11.596 6.781 -16.818 565 HD21 LEU 69 3HD2 LEU 69 12.283 8.385 -19.031 566 HD22 LEU 69 1HD2 LEU 69 10.839 8.998 -19.837 567 HD23 LEU 69 2HD2 LEU 69 11.595 7.505 -20.396 568 H VAL 70 H VAL 70 9.417 9.473 -21.111 569 HA VAL 70 HA VAL 70 9.075 8.552 -23.855 570 HB VAL 70 HB VAL 70 8.503 10.887 -23.270 571 HG11 VAL 70 1HG1 VAL 70 9.849 11.998 -21.892 572 HG12 VAL 70 2HG1 VAL 70 11.136 10.808 -22.097 573 HG13 VAL 70 3HG1 VAL 70 10.988 12.151 -23.230 574 HG21 VAL 70 3HG2 VAL 70 9.229 11.758 -25.273 575 HG22 VAL 70 1HG2 VAL 70 10.840 11.057 -25.116 576 HG23 VAL 70 2HG2 VAL 70 9.471 10.033 -25.548 577 H LEU 71 H LEU 71 10.801 8.449 -25.360 578 HA LEU 71 HA LEU 71 13.422 7.960 -24.108 579 HB2 LEU 71 2HB LEU 71 12.170 6.021 -25.171 580 HB3 LEU 71 3HB LEU 71 12.473 6.809 -26.718 581 HG LEU 71 HG LEU 71 14.873 6.391 -25.083 582 HD11 LEU 71 1HD1 LEU 71 15.022 4.050 -25.308 583 HD12 LEU 71 2HD1 LEU 71 13.576 3.975 -26.314 584 HD13 LEU 71 3HD1 LEU 71 13.437 4.364 -24.600 585 HD21 LEU 71 3HD2 LEU 71 15.032 5.180 -27.616 586 HD22 LEU 71 1HD2 LEU 71 15.706 6.730 -27.111 587 HD23 LEU 71 2HD2 LEU 71 14.095 6.660 -27.826 588 H ARG 72 H ARG 72 15.314 8.407 -25.454 589 HA ARG 72 HA ARG 72 14.849 10.733 -27.198 590 HB2 ARG 72 2HB ARG 72 16.114 11.357 -25.252 591 HB3 ARG 72 3HB ARG 72 17.215 10.004 -25.471 592 HG2 ARG 72 2HG ARG 72 17.200 11.612 -27.836 593 HG3 ARG 72 3HG ARG 72 17.490 12.628 -26.422 594 HD2 ARG 72 2HD ARG 72 18.968 10.050 -26.732 595 HD3 ARG 72 3HD ARG 72 19.488 11.471 -27.637 596 HE ARG 72 HE ARG 72 19.280 12.385 -25.095 597 HH11 ARG 72 1HH1 ARG 72 20.928 9.689 -26.556 598 HH12 ARG 72 2HH1 ARG 72 22.216 9.680 -25.397 599 HH21 ARG 72 1HH2 ARG 72 20.969 12.384 -23.563 600 HH22 ARG 72 2HH2 ARG 72 22.237 11.213 -23.694 601 H LEU 73 H LEU 73 15.096 10.331 -29.286 602 HA LEU 73 HA LEU 73 16.563 8.009 -30.192 603 HB2 LEU 73 2HB LEU 73 14.368 9.354 -31.120 604 HB3 LEU 73 3HB LEU 73 15.632 9.907 -32.216 605 HG LEU 73 HG LEU 73 15.959 7.150 -32.130 606 HD11 LEU 73 1HD1 LEU 73 13.870 6.137 -32.398 607 HD12 LEU 73 2HD1 LEU 73 13.039 7.684 -32.566 608 HD13 LEU 73 3HD1 LEU 73 13.669 7.187 -30.995 609 HD21 LEU 73 3HD2 LEU 73 16.299 8.265 -34.142 610 HD22 LEU 73 1HD2 LEU 73 14.734 9.075 -34.072 611 HD23 LEU 73 2HD2 LEU 73 14.819 7.350 -34.433 612 H ARG 74 H ARG 74 18.444 7.990 -31.359 613 HA ARG 74 HA ARG 74 19.922 10.534 -31.438 614 HB2 ARG 74 2HB ARG 74 20.635 7.866 -30.569 615 HB3 ARG 74 3HB ARG 74 21.741 8.440 -31.810 616 HG2 ARG 74 2HG ARG 74 22.182 10.448 -30.490 617 HG3 ARG 74 3HG ARG 74 21.073 9.869 -29.245 618 HD2 ARG 74 2HD ARG 74 22.499 8.184 -28.573 619 HD3 ARG 74 3HD ARG 74 23.335 8.132 -30.124 620 HE ARG 74 HE ARG 74 23.763 10.614 -28.815 621 HH11 ARG 74 1HH1 ARG 74 24.717 7.266 -28.778 622 HH12 ARG 74 2HH1 ARG 74 26.275 7.583 -28.088 623 HH21 ARG 74 1HH2 ARG 74 25.810 11.044 -27.906 624 HH22 ARG 74 2HH2 ARG 74 26.895 9.732 -27.592 625 H GLY 75 H GLY 75 19.642 11.363 -33.432 626 HA2 GLY 75 2HA GLY 75 20.611 11.386 -35.652 627 HA3 GLY 75 3HA GLY 75 20.407 9.641 -35.701 628 H GLY 76 H GLY 76 19.175 12.531 -36.765 629 HA2 GLY 76 2HA GLY 76 17.188 11.587 -38.347 630 HA3 GLY 76 3HA GLY 76 16.382 11.803 -36.801 Start of MODEL 4 1 H1 GLY 0 H GLY 0 5.185 7.512 2.451 2 HA2 GLY 0 2HA GLY 0 6.156 7.621 0.236 3 HA3 GLY 0 3HA GLY 0 7.101 6.471 1.169 4 H MET 1 H MET 1 4.027 6.441 -0.645 5 HA MET 1 HA MET 1 4.178 3.732 -1.362 6 HB2 MET 1 2HB MET 1 2.544 6.057 -2.117 7 HB3 MET 1 3HB MET 1 2.685 4.831 -3.370 8 HG2 MET 1 2HG MET 1 0.720 4.442 -2.025 9 HG3 MET 1 3HG MET 1 1.884 3.138 -1.802 10 HE1 MET 1 3HE MET 1 0.436 6.191 1.258 11 HE2 MET 1 1HE MET 1 1.485 6.820 -0.013 12 HE3 MET 1 2HE MET 1 -0.034 6.029 -0.435 13 H GLN 2 H GLN 2 4.874 2.688 -3.210 14 HA GLN 2 HA GLN 2 6.975 4.060 -4.675 15 HB2 GLN 2 2HB GLN 2 7.523 1.829 -5.551 16 HB3 GLN 2 3HB GLN 2 7.450 1.839 -3.794 17 HG2 GLN 2 2HG GLN 2 5.387 0.706 -3.771 18 HG3 GLN 2 3HG GLN 2 5.135 0.975 -5.495 19 HE21 GLN 2 1HE2 GLN 2 6.424 -0.196 -6.987 20 HE22 GLN 2 2HE2 GLN 2 7.141 -1.703 -6.542 21 H ILE 3 H ILE 3 7.004 4.414 -6.866 22 HA ILE 3 HA ILE 3 4.457 3.954 -8.277 23 HB ILE 3 HB ILE 3 5.196 6.378 -7.739 24 HG12 ILE 3 2HG1 ILE 3 4.714 6.228 -10.641 25 HG13 ILE 3 3HG1 ILE 3 3.602 5.275 -9.664 26 HG21 ILE 3 1HG2 ILE 3 6.801 6.101 -10.248 27 HG22 ILE 3 2HG2 ILE 3 6.829 7.384 -9.040 28 HG23 ILE 3 3HG2 ILE 3 7.542 5.813 -8.674 29 HD11 ILE 3 3HD1 ILE 3 3.454 7.992 -10.229 30 HD12 ILE 3 1HD1 ILE 3 2.482 7.086 -9.069 31 HD13 ILE 3 2HD1 ILE 3 3.956 7.898 -8.541 32 H PHE 4 H PHE 4 4.674 3.835 -10.669 33 HA PHE 4 HA PHE 4 7.232 2.628 -11.483 34 HB2 PHE 4 2HB PHE 4 5.018 1.137 -11.078 35 HB3 PHE 4 3HB PHE 4 4.768 1.593 -12.760 36 HD1 PHE 4 HD2 PHE 4 7.375 1.560 -13.935 37 HD2 PHE 4 HD1 PHE 4 5.735 -1.040 -10.991 38 HE1 PHE 4 HE2 PHE 4 8.923 -0.216 -14.646 39 HE2 PHE 4 HE1 PHE 4 7.281 -2.820 -11.696 40 HZ PHE 4 HZ PHE 4 8.877 -2.409 -13.527 41 H VAL 5 H VAL 5 8.102 3.547 -13.215 42 HA VAL 5 HA VAL 5 6.374 5.199 -14.937 43 HB VAL 5 HB VAL 5 9.366 5.423 -14.591 44 HG11 VAL 5 1HG1 VAL 5 8.302 6.207 -16.751 45 HG12 VAL 5 2HG1 VAL 5 7.471 7.430 -15.787 46 HG13 VAL 5 3HG1 VAL 5 9.233 7.410 -15.860 47 HG21 VAL 5 3HG2 VAL 5 8.389 6.026 -12.506 48 HG22 VAL 5 1HG2 VAL 5 8.782 7.527 -13.344 49 HG23 VAL 5 2HG2 VAL 5 7.115 6.953 -13.299 50 H LYS 6 H LYS 6 6.126 4.649 -17.003 51 HA LYS 6 HA LYS 6 7.810 2.492 -18.074 52 HB2 LYS 6 2HB LYS 6 4.995 3.371 -18.599 53 HB3 LYS 6 3HB LYS 6 5.873 2.489 -19.842 54 HG2 LYS 6 2HG LYS 6 6.339 0.756 -18.016 55 HG3 LYS 6 3HG LYS 6 5.060 1.569 -17.111 56 HD2 LYS 6 2HD LYS 6 3.790 0.021 -18.193 57 HD3 LYS 6 3HD LYS 6 3.783 1.282 -19.428 58 HE2 LYS 6 2HE LYS 6 5.931 0.081 -20.276 59 HE3 LYS 6 3HE LYS 6 5.321 -1.282 -19.340 60 HZ1 LYS 6 3HZ LYS 6 3.347 -0.044 -21.035 61 HZ2 LYS 6 1HZ LYS 6 3.723 -1.680 -20.828 62 HZ3 LYS 6 2HZ LYS 6 4.638 -0.730 -21.886 63 H THR 7 H THR 7 8.723 2.643 -20.132 64 HA THR 7 HA THR 7 8.979 5.396 -21.141 65 HB THR 7 HB THR 7 11.104 4.691 -22.152 66 HG1 THR 7 HG1 THR 7 11.800 2.639 -22.021 67 HG21 THR 7 3HG2 THR 7 12.160 5.218 -20.256 68 HG22 THR 7 1HG2 THR 7 11.670 3.710 -19.486 69 HG23 THR 7 2HG2 THR 7 10.596 5.108 -19.448 70 H LEU 8 H LEU 8 9.637 5.383 -23.572 71 HA LEU 8 HA LEU 8 7.497 4.011 -24.978 72 HB2 LEU 8 2HB LEU 8 8.060 5.444 -26.848 73 HB3 LEU 8 3HB LEU 8 7.864 6.390 -25.374 74 HG LEU 8 HG LEU 8 10.529 6.044 -25.337 75 HD11 LEU 8 1HD1 LEU 8 10.703 6.717 -28.051 76 HD12 LEU 8 2HD1 LEU 8 9.719 5.256 -27.972 77 HD13 LEU 8 3HD1 LEU 8 11.329 5.274 -27.254 78 HD21 LEU 8 3HD2 LEU 8 8.717 8.127 -26.394 79 HD22 LEU 8 1HD2 LEU 8 10.425 8.277 -26.808 80 HD23 LEU 8 2HD2 LEU 8 9.930 8.215 -25.116 81 H THR 9 H THR 9 10.584 3.257 -24.158 82 HA THR 9 HA THR 9 11.183 1.860 -26.668 83 HB THR 9 HB THR 9 13.330 1.339 -25.078 84 HG1 THR 9 HG1 THR 9 13.716 3.600 -24.210 85 HG21 THR 9 3HG2 THR 9 12.800 2.763 -27.387 86 HG22 THR 9 1HG2 THR 9 14.397 2.431 -26.717 87 HG23 THR 9 2HG2 THR 9 13.582 3.949 -26.342 88 H GLY 10 H GLY 10 9.515 1.257 -23.935 89 HA2 GLY 10 2HA GLY 10 8.583 -0.815 -23.349 90 HA3 GLY 10 3HA GLY 10 9.867 -1.620 -24.240 91 H LYS 11 H LYS 11 11.084 0.796 -22.239 92 HA LYS 11 HA LYS 11 12.146 -1.207 -20.413 93 HB2 LYS 11 2HB LYS 11 13.329 0.908 -21.598 94 HB3 LYS 11 3HB LYS 11 12.857 1.650 -20.075 95 HG2 LYS 11 2HG LYS 11 14.055 -0.107 -18.857 96 HG3 LYS 11 3HG LYS 11 14.549 -0.822 -20.394 97 HD2 LYS 11 2HD LYS 11 16.019 0.883 -20.869 98 HD3 LYS 11 3HD LYS 11 15.142 2.056 -19.884 99 HE2 LYS 11 2HE LYS 11 17.138 1.604 -18.714 100 HE3 LYS 11 3HE LYS 11 15.878 0.706 -17.871 101 HZ1 LYS 11 3HZ LYS 11 17.389 -0.649 -19.987 102 HZ2 LYS 11 1HZ LYS 11 16.688 -1.288 -18.586 103 HZ3 LYS 11 2HZ LYS 11 18.135 -0.419 -18.486 104 H THR 12 H THR 12 11.407 -1.535 -18.422 105 HA THR 12 HA THR 12 9.416 0.333 -17.348 106 HB THR 12 HB THR 12 9.421 -1.834 -15.647 107 HG1 THR 12 HG1 THR 12 9.191 -3.527 -17.475 108 HG21 THR 12 3HG2 THR 12 7.594 -0.525 -17.082 109 HG22 THR 12 1HG2 THR 12 7.264 -2.092 -16.343 110 HG23 THR 12 2HG2 THR 12 7.689 -1.995 -18.052 111 H ILE 13 H ILE 13 10.063 1.739 -15.868 112 HA ILE 13 HA ILE 13 12.312 1.002 -14.111 113 HB ILE 13 HB ILE 13 11.488 3.777 -14.972 114 HG12 ILE 13 2HG1 ILE 13 13.993 2.258 -15.710 115 HG13 ILE 13 3HG1 ILE 13 12.563 2.312 -16.735 116 HG21 ILE 13 1HG2 ILE 13 13.662 2.758 -13.167 117 HG22 ILE 13 2HG2 ILE 13 13.736 4.346 -13.928 118 HG23 ILE 13 3HG2 ILE 13 12.419 3.960 -12.821 119 HD11 ILE 13 3HD1 ILE 13 13.366 4.961 -15.943 120 HD12 ILE 13 1HD1 ILE 13 14.691 4.094 -16.719 121 HD13 ILE 13 2HD1 ILE 13 13.150 4.281 -17.556 122 H THR 14 H THR 14 12.100 1.257 -11.938 123 HA THR 14 HA THR 14 9.463 2.153 -10.972 124 HB THR 14 HB THR 14 11.323 0.173 -9.643 125 HG1 THR 14 HG1 THR 14 8.854 -0.682 -10.521 126 HG21 THR 14 3HG2 THR 14 9.396 -0.277 -8.185 127 HG22 THR 14 1HG2 THR 14 8.492 1.004 -8.992 128 HG23 THR 14 2HG2 THR 14 9.934 1.397 -8.054 129 H LEU 15 H LEU 15 9.348 3.584 -9.294 130 HA LEU 15 HA LEU 15 11.798 4.391 -7.932 131 HB2 LEU 15 2HB LEU 15 10.345 5.995 -9.915 132 HB3 LEU 15 3HB LEU 15 10.687 6.830 -8.402 133 HG LEU 15 HG LEU 15 13.126 5.825 -8.930 134 HD11 LEU 15 1HD1 LEU 15 12.161 6.581 -11.662 135 HD12 LEU 15 2HD1 LEU 15 12.101 4.909 -11.107 136 HD13 LEU 15 3HD1 LEU 15 13.646 5.754 -11.193 137 HD21 LEU 15 3HD2 LEU 15 13.718 7.990 -9.162 138 HD22 LEU 15 1HD2 LEU 15 12.038 8.273 -8.705 139 HD23 LEU 15 2HD2 LEU 15 12.505 8.303 -10.406 140 H GLU 16 H GLU 16 11.202 6.199 -6.274 141 HA GLU 16 HA GLU 16 8.636 5.457 -5.027 142 HB2 GLU 16 2HB GLU 16 11.371 5.732 -3.909 143 HB3 GLU 16 3HB GLU 16 10.048 6.323 -2.913 144 HG2 GLU 16 2HG GLU 16 9.584 4.266 -2.263 145 HG3 GLU 16 3HG GLU 16 9.335 3.767 -3.935 146 H VAL 17 H VAL 17 7.254 7.051 -4.559 147 HA VAL 17 HA VAL 17 8.232 9.799 -4.336 148 HB VAL 17 HB VAL 17 5.770 9.370 -5.964 149 HG11 VAL 17 1HG1 VAL 17 7.839 11.483 -5.590 150 HG12 VAL 17 2HG1 VAL 17 6.934 11.424 -7.103 151 HG13 VAL 17 3HG1 VAL 17 6.081 11.612 -5.570 152 HG21 VAL 17 3HG2 VAL 17 8.587 8.976 -6.934 153 HG22 VAL 17 1HG2 VAL 17 7.193 7.917 -7.147 154 HG23 VAL 17 2HG2 VAL 17 7.277 9.451 -8.014 155 H GLU 18 H GLU 18 6.406 11.292 -3.641 156 HA GLU 18 HA GLU 18 4.518 9.861 -1.892 157 HB2 GLU 18 2HB GLU 18 6.557 11.865 -1.212 158 HB3 GLU 18 3HB GLU 18 4.962 12.210 -0.558 159 HG2 GLU 18 2HG GLU 18 5.624 10.916 1.136 160 HG3 GLU 18 3HG GLU 18 5.206 9.587 0.056 161 HA PRO 19 HA PRO 19 1.293 12.438 -3.375 162 HB2 PRO 19 2HB PRO 19 -0.079 13.106 -1.130 163 HB3 PRO 19 3HB PRO 19 -0.099 11.479 -1.819 164 HG2 PRO 19 2HG PRO 19 1.508 12.547 0.469 165 HG3 PRO 19 3HG PRO 19 0.653 11.001 0.329 166 HD2 PRO 19 2HD PRO 19 3.327 11.224 -0.031 167 HD3 PRO 19 3HD PRO 19 2.342 10.035 -0.906 168 H SER 20 H SER 20 3.132 13.782 -0.681 169 HA SER 20 HA SER 20 2.288 16.488 -1.279 170 HB2 SER 20 2HB SER 20 3.542 15.130 0.943 171 HB3 SER 20 3HB SER 20 4.453 16.576 0.511 172 HG SER 20 HG SER 20 2.225 17.578 0.491 173 H ASP 21 H ASP 21 4.386 14.433 -2.696 174 HA ASP 21 HA ASP 21 6.552 16.318 -3.142 175 HB2 ASP 21 2HB ASP 21 6.061 13.447 -3.796 176 HB3 ASP 21 3HB ASP 21 7.221 14.341 -4.775 177 H THR 22 H THR 22 6.944 17.421 -5.003 178 HA THR 22 HA THR 22 4.784 17.400 -6.995 179 HB THR 22 HB THR 22 5.243 19.563 -5.863 180 HG1 THR 22 HG1 THR 22 5.537 20.731 -7.936 181 HG21 THR 22 3HG2 THR 22 7.762 19.082 -5.747 182 HG22 THR 22 1HG2 THR 22 7.261 20.732 -6.113 183 HG23 THR 22 2HG2 THR 22 7.818 19.671 -7.408 184 H ILE 23 H ILE 23 5.305 17.553 -9.241 185 HA ILE 23 HA ILE 23 7.168 15.738 -10.164 186 HB ILE 23 HB ILE 23 6.208 18.136 -11.725 187 HG12 ILE 23 2HG1 ILE 23 4.880 15.486 -11.153 188 HG13 ILE 23 3HG1 ILE 23 4.256 17.097 -10.817 189 HG21 ILE 23 1HG2 ILE 23 6.787 15.411 -12.819 190 HG22 ILE 23 2HG2 ILE 23 6.732 16.961 -13.658 191 HG23 ILE 23 3HG2 ILE 23 8.082 16.586 -12.586 192 HD11 ILE 23 3HD1 ILE 23 4.278 15.553 -13.331 193 HD12 ILE 23 1HD1 ILE 23 3.067 16.659 -12.683 194 HD13 ILE 23 2HD1 ILE 23 4.517 17.295 -13.460 195 H GLU 24 H GLU 24 7.550 19.165 -9.519 196 HA GLU 24 HA GLU 24 9.966 19.618 -10.848 197 HB2 GLU 24 2HB GLU 24 8.273 21.074 -9.169 198 HB3 GLU 24 3HB GLU 24 9.819 21.050 -8.332 199 HG2 GLU 24 2HG GLU 24 10.720 21.700 -10.728 200 HG3 GLU 24 3HG GLU 24 9.075 22.303 -10.914 201 H ASN 25 H ASN 25 9.335 18.451 -7.563 202 HA ASN 25 HA ASN 25 12.080 18.301 -6.821 203 HB2 ASN 25 2HB ASN 25 10.000 18.400 -5.293 204 HB3 ASN 25 3HB ASN 25 9.891 16.663 -5.563 205 HD21 ASN 25 1HD2 ASN 25 11.359 15.309 -4.618 206 HD22 ASN 25 2HD2 ASN 25 12.504 15.832 -3.435 207 H VAL 26 H VAL 26 9.715 15.927 -7.978 208 HA VAL 26 HA VAL 26 11.316 13.643 -7.775 209 HB VAL 26 HB VAL 26 9.196 14.184 -9.858 210 HG11 VAL 26 1HG1 VAL 26 10.293 12.251 -10.547 211 HG12 VAL 26 2HG1 VAL 26 10.565 11.699 -8.893 212 HG13 VAL 26 3HG1 VAL 26 8.946 11.634 -9.591 213 HG21 VAL 26 3HG2 VAL 26 7.760 12.887 -8.192 214 HG22 VAL 26 1HG2 VAL 26 9.020 13.246 -7.011 215 HG23 VAL 26 2HG2 VAL 26 8.144 14.562 -7.793 216 H LYS 27 H LYS 27 10.944 15.969 -10.420 217 HA LYS 27 HA LYS 27 12.457 14.679 -12.363 218 HB2 LYS 27 2HB LYS 27 11.198 16.602 -12.983 219 HB3 LYS 27 3HB LYS 27 12.018 17.609 -11.797 220 HG2 LYS 27 2HG LYS 27 13.741 16.361 -13.835 221 HG3 LYS 27 3HG LYS 27 12.614 17.590 -14.414 222 HD2 LYS 27 2HD LYS 27 14.323 18.097 -12.005 223 HD3 LYS 27 3HD LYS 27 14.974 18.315 -13.631 224 HE2 LYS 27 2HE LYS 27 12.805 19.720 -13.998 225 HE3 LYS 27 3HE LYS 27 12.795 19.812 -12.238 226 HZ1 LYS 27 3HZ LYS 27 14.360 21.275 -14.071 227 HZ2 LYS 27 1HZ LYS 27 15.383 20.380 -13.063 228 HZ3 LYS 27 2HZ LYS 27 14.257 21.449 -12.391 229 H ALA 28 H ALA 28 13.488 16.770 -9.709 230 HA ALA 28 HA ALA 28 16.177 17.053 -10.418 231 HB1 ALA 28 1HB ALA 28 16.205 17.020 -7.665 232 HB2 ALA 28 2HB ALA 28 15.906 18.429 -8.684 233 HB3 ALA 28 3HB ALA 28 14.550 17.497 -8.049 234 H LYS 29 H LYS 29 14.494 14.475 -8.718 235 HA LYS 29 HA LYS 29 16.792 13.077 -7.840 236 HB2 LYS 29 2HB LYS 29 14.770 12.535 -6.757 237 HB3 LYS 29 3HB LYS 29 13.923 12.284 -8.278 238 HG2 LYS 29 2HG LYS 29 14.373 10.182 -7.113 239 HG3 LYS 29 3HG LYS 29 15.183 10.255 -8.680 240 HD2 LYS 29 2HD LYS 29 17.171 9.968 -7.722 241 HD3 LYS 29 3HD LYS 29 16.890 11.327 -6.631 242 HE2 LYS 29 2HE LYS 29 16.609 9.933 -4.926 243 HE3 LYS 29 3HE LYS 29 15.305 9.112 -5.781 244 HZ1 LYS 29 3HZ LYS 29 18.078 8.337 -5.454 245 HZ2 LYS 29 1HZ LYS 29 17.444 8.092 -7.003 246 HZ3 LYS 29 2HZ LYS 29 16.702 7.376 -5.663 247 H ILE 30 H ILE 30 14.935 13.029 -10.818 248 HA ILE 30 HA ILE 30 16.099 10.686 -11.910 249 HB ILE 30 HB ILE 30 14.973 12.997 -13.486 250 HG12 ILE 30 2HG1 ILE 30 13.518 10.691 -12.173 251 HG13 ILE 30 3HG1 ILE 30 13.368 12.394 -11.754 252 HG21 ILE 30 1HG2 ILE 30 14.440 11.304 -15.136 253 HG22 ILE 30 2HG2 ILE 30 16.161 11.257 -14.755 254 HG23 ILE 30 3HG2 ILE 30 15.075 10.043 -14.079 255 HD11 ILE 30 3HD1 ILE 30 12.095 10.861 -13.881 256 HD12 ILE 30 1HD1 ILE 30 11.585 12.352 -13.089 257 HD13 ILE 30 2HD1 ILE 30 12.755 12.409 -14.409 258 H GLN 31 H GLN 31 16.906 14.119 -12.120 259 HA GLN 31 HA GLN 31 18.953 13.849 -14.053 260 HB2 GLN 31 2HB GLN 31 17.911 16.002 -13.595 261 HB3 GLN 31 3HB GLN 31 18.522 15.973 -11.946 262 HG2 GLN 31 2HG GLN 31 20.845 15.782 -13.144 263 HG3 GLN 31 3HG GLN 31 19.962 16.488 -14.497 264 HE21 GLN 31 1HE2 GLN 31 19.387 18.605 -14.435 265 HE22 GLN 31 2HE2 GLN 31 19.843 19.689 -13.170 266 H ASP 32 H ASP 32 18.897 13.593 -10.557 267 HA ASP 32 HA ASP 32 21.741 13.565 -10.243 268 HB2 ASP 32 2HB ASP 32 19.581 13.826 -8.534 269 HB3 ASP 32 3HB ASP 32 20.224 12.236 -8.129 270 H LYS 33 H LYS 33 19.566 11.340 -11.466 271 HA LYS 33 HA LYS 33 21.254 9.050 -10.721 272 HB2 LYS 33 2HB LYS 33 18.937 8.702 -10.161 273 HB3 LYS 33 3HB LYS 33 18.425 9.180 -11.774 274 HG2 LYS 33 2HG LYS 33 18.846 7.157 -12.650 275 HG3 LYS 33 3HG LYS 33 20.303 6.923 -11.681 276 HD2 LYS 33 2HD LYS 33 17.792 6.915 -10.156 277 HD3 LYS 33 3HD LYS 33 17.963 5.588 -11.308 278 HE2 LYS 33 2HE LYS 33 20.318 6.196 -9.628 279 HE3 LYS 33 3HE LYS 33 18.922 5.506 -8.802 280 HZ1 LYS 33 3HZ LYS 33 18.972 3.623 -10.232 281 HZ2 LYS 33 1HZ LYS 33 20.542 3.845 -9.641 282 HZ3 LYS 33 2HZ LYS 33 20.158 4.313 -11.220 283 H GLU 34 H GLU 34 19.675 10.606 -13.491 284 HA GLU 34 HA GLU 34 21.617 9.246 -15.243 285 HB2 GLU 34 2HB GLU 34 18.725 9.404 -15.402 286 HB3 GLU 34 3HB GLU 34 19.481 10.049 -16.853 287 HG2 GLU 34 2HG GLU 34 20.706 7.565 -16.028 288 HG3 GLU 34 3HG GLU 34 18.971 7.390 -16.284 289 H GLY 35 H GLY 35 19.889 12.205 -14.491 290 HA2 GLY 35 2HA GLY 35 20.739 14.373 -14.768 291 HA3 GLY 35 3HA GLY 35 21.967 13.729 -15.848 292 H ILE 36 H ILE 36 18.679 12.807 -16.363 293 HA ILE 36 HA ILE 36 18.631 13.702 -19.014 294 HB ILE 36 HB ILE 36 17.149 11.929 -18.076 295 HG12 ILE 36 2HG1 ILE 36 15.710 14.192 -19.478 296 HG13 ILE 36 3HG1 ILE 36 16.708 12.977 -20.269 297 HG21 ILE 36 1HG2 ILE 36 16.546 13.612 -16.114 298 HG22 ILE 36 2HG2 ILE 36 15.201 13.982 -17.192 299 HG23 ILE 36 3HG2 ILE 36 15.446 12.331 -16.622 300 HD11 ILE 36 3HD1 ILE 36 14.635 11.801 -18.620 301 HD12 ILE 36 1HD1 ILE 36 13.991 12.856 -19.877 302 HD13 ILE 36 2HD1 ILE 36 15.044 11.509 -20.310 303 HA PRO 37 HA PRO 37 17.857 18.029 -18.493 304 HB2 PRO 37 2HB PRO 37 17.212 18.570 -21.074 305 HB3 PRO 37 3HB PRO 37 18.873 18.289 -20.537 306 HG2 PRO 37 2HG PRO 37 16.968 16.404 -21.870 307 HG3 PRO 37 3HG PRO 37 18.695 16.654 -22.182 308 HD2 PRO 37 2HD PRO 37 17.766 14.582 -20.708 309 HD3 PRO 37 3HD PRO 37 19.335 15.350 -20.392 310 HA PRO 38 HA PRO 38 13.409 17.717 -17.907 311 HB2 PRO 38 2HB PRO 38 13.200 20.004 -16.459 312 HB3 PRO 38 3HB PRO 38 13.768 18.479 -15.769 313 HG2 PRO 38 2HG PRO 38 15.352 20.829 -16.733 314 HG3 PRO 38 3HG PRO 38 15.581 19.849 -15.273 315 HD2 PRO 38 2HD PRO 38 17.074 19.507 -17.506 316 HD3 PRO 38 3HD PRO 38 16.659 18.165 -16.420 317 H ASP 39 H ASP 39 15.271 20.214 -19.404 318 HA ASP 39 HA ASP 39 13.163 21.943 -20.163 319 HB2 ASP 39 2HB ASP 39 16.007 21.570 -20.920 320 HB3 ASP 39 3HB ASP 39 14.985 22.400 -22.091 321 H GLN 40 H GLN 40 14.274 18.911 -21.374 322 HA GLN 40 HA GLN 40 12.458 19.178 -23.679 323 HB2 GLN 40 2HB GLN 40 15.214 18.361 -23.561 324 HB3 GLN 40 3HB GLN 40 14.226 17.034 -24.157 325 HG2 GLN 40 2HG GLN 40 14.223 19.823 -25.288 326 HG3 GLN 40 3HG GLN 40 15.130 18.463 -25.947 327 HE21 GLN 40 1HE2 GLN 40 13.746 16.487 -26.390 328 HE22 GLN 40 2HE2 GLN 40 12.222 16.775 -27.151 329 H GLN 41 H GLN 41 12.425 18.016 -20.744 330 HA GLN 41 HA GLN 41 11.630 15.279 -21.269 331 HB2 GLN 41 2HB GLN 41 12.889 15.878 -19.221 332 HB3 GLN 41 3HB GLN 41 11.528 16.860 -18.694 333 HG2 GLN 41 2HG GLN 41 10.174 15.003 -18.321 334 HG3 GLN 41 3HG GLN 41 11.196 13.948 -19.296 335 HE21 GLN 41 1HE2 GLN 41 11.752 16.163 -16.576 336 HE22 GLN 41 2HE2 GLN 41 12.590 15.016 -15.593 337 H ARG 42 H ARG 42 9.650 14.735 -21.868 338 HA ARG 42 HA ARG 42 7.403 16.444 -21.025 339 HB2 ARG 42 2HB ARG 42 8.270 15.964 -23.644 340 HB3 ARG 42 3HB ARG 42 6.848 14.950 -23.441 341 HG2 ARG 42 2HG ARG 42 5.948 17.257 -22.376 342 HG3 ARG 42 3HG ARG 42 7.084 17.876 -23.577 343 HD2 ARG 42 2HD ARG 42 5.034 15.789 -24.254 344 HD3 ARG 42 3HD ARG 42 4.660 17.511 -24.309 345 HE ARG 42 HE ARG 42 6.289 16.023 -26.163 346 HH11 ARG 42 1HH1 ARG 42 5.519 19.165 -24.876 347 HH12 ARG 42 2HH1 ARG 42 6.091 20.020 -26.270 348 HH21 ARG 42 1HH2 ARG 42 7.046 17.138 -28.004 349 HH22 ARG 42 2HH2 ARG 42 6.959 18.866 -28.049 350 H LEU 43 H LEU 43 6.111 15.403 -19.671 351 HA LEU 43 HA LEU 43 5.922 12.474 -19.859 352 HB2 LEU 43 2HB LEU 43 5.426 14.362 -17.567 353 HB3 LEU 43 3HB LEU 43 5.017 12.648 -17.522 354 HG LEU 43 HG LEU 43 7.819 13.645 -17.990 355 HD11 LEU 43 1HD1 LEU 43 6.689 12.728 -15.358 356 HD12 LEU 43 2HD1 LEU 43 6.845 14.427 -15.803 357 HD13 LEU 43 3HD1 LEU 43 8.282 13.412 -15.681 358 HD21 LEU 43 3HD2 LEU 43 8.411 11.379 -17.267 359 HD22 LEU 43 1HD2 LEU 43 7.378 11.361 -18.696 360 HD23 LEU 43 2HD2 LEU 43 6.699 10.985 -17.112 361 H ILE 44 H ILE 44 3.997 11.487 -20.175 362 HA ILE 44 HA ILE 44 1.551 13.100 -20.088 363 HB ILE 44 HB ILE 44 2.367 11.387 -22.438 364 HG12 ILE 44 2HG1 ILE 44 1.649 13.962 -23.272 365 HG13 ILE 44 3HG1 ILE 44 2.638 14.209 -21.838 366 HG21 ILE 44 1HG2 ILE 44 0.109 11.027 -22.400 367 HG22 ILE 44 2HG2 ILE 44 -0.233 12.562 -21.603 368 HG23 ILE 44 3HG2 ILE 44 0.162 12.530 -23.322 369 HD11 ILE 44 3HD1 ILE 44 3.730 14.092 -24.195 370 HD12 ILE 44 1HD1 ILE 44 4.511 13.322 -22.814 371 HD13 ILE 44 2HD1 ILE 44 3.587 12.350 -23.960 372 H PHE 45 H PHE 45 -0.305 11.975 -19.581 373 HA PHE 45 HA PHE 45 -0.433 9.125 -19.550 374 HB2 PHE 45 2HB PHE 45 -0.217 8.628 -17.305 375 HB3 PHE 45 3HB PHE 45 0.988 9.900 -17.475 376 HD1 PHE 45 HD2 PHE 45 0.019 12.345 -17.089 377 HD2 PHE 45 HD1 PHE 45 -1.669 8.758 -15.539 378 HE1 PHE 45 HE2 PHE 45 -1.096 13.639 -15.319 379 HE2 PHE 45 HE1 PHE 45 -2.788 10.047 -13.767 380 HZ PHE 45 HZ PHE 45 -2.501 12.491 -13.654 381 H ALA 46 H ALA 46 -2.514 8.374 -19.272 382 HA ALA 46 HA ALA 46 -4.788 8.424 -19.154 383 HB1 ALA 46 1HB ALA 46 -5.835 9.762 -17.562 384 HB2 ALA 46 2HB ALA 46 -4.200 9.570 -16.930 385 HB3 ALA 46 3HB ALA 46 -4.660 11.065 -17.744 386 H GLY 47 H GLY 47 -3.099 10.018 -21.179 387 HA2 GLY 47 2HA GLY 47 -3.702 10.992 -23.195 388 HA3 GLY 47 3HA GLY 47 -5.364 11.057 -22.629 389 H LYS 48 H LYS 48 -3.658 12.382 -20.200 390 HA LYS 48 HA LYS 48 -4.027 15.098 -21.273 391 HB2 LYS 48 2HB LYS 48 -4.515 13.864 -18.626 392 HB3 LYS 48 3HB LYS 48 -3.861 15.496 -18.608 393 HG2 LYS 48 2HG LYS 48 -6.216 14.884 -20.329 394 HG3 LYS 48 3HG LYS 48 -6.435 15.103 -18.592 395 HD2 LYS 48 2HD LYS 48 -5.416 17.306 -18.719 396 HD3 LYS 48 3HD LYS 48 -5.107 17.084 -20.443 397 HE2 LYS 48 2HE LYS 48 -7.100 17.978 -20.850 398 HE3 LYS 48 3HE LYS 48 -7.836 16.569 -20.088 399 HZ1 LYS 48 3HZ LYS 48 -8.086 17.675 -18.092 400 HZ2 LYS 48 1HZ LYS 48 -8.406 18.903 -19.211 401 HZ3 LYS 48 2HZ LYS 48 -6.901 18.829 -18.444 402 H GLN 49 H GLN 49 -2.359 16.495 -21.326 403 HA GLN 49 HA GLN 49 0.285 15.545 -21.044 404 HB2 GLN 49 2HB GLN 49 -0.892 18.283 -21.459 405 HB3 GLN 49 3HB GLN 49 0.841 18.049 -21.272 406 HG2 GLN 49 2HG GLN 49 0.171 16.188 -23.177 407 HG3 GLN 49 3HG GLN 49 -0.878 17.552 -23.561 408 HE21 GLN 49 1HE2 GLN 49 0.001 19.430 -24.328 409 HE22 GLN 49 2HE2 GLN 49 1.661 19.585 -24.781 410 H LEU 50 H LEU 50 1.250 15.113 -19.179 411 HA LEU 50 HA LEU 50 0.408 16.069 -16.671 412 HB2 LEU 50 2HB LEU 50 1.617 14.000 -16.867 413 HB3 LEU 50 3HB LEU 50 3.014 14.834 -17.544 414 HG LEU 50 HG LEU 50 3.358 15.959 -15.374 415 HD11 LEU 50 1HD1 LEU 50 2.078 14.667 -13.459 416 HD12 LEU 50 2HD1 LEU 50 0.861 14.487 -14.723 417 HD13 LEU 50 3HD1 LEU 50 1.390 16.096 -14.232 418 HD21 LEU 50 3HD2 LEU 50 4.750 14.279 -14.979 419 HD22 LEU 50 1HD2 LEU 50 3.791 13.230 -16.023 420 HD23 LEU 50 2HD2 LEU 50 3.424 13.331 -14.301 421 H GLU 51 H GLU 51 0.644 18.017 -15.817 422 HA GLU 51 HA GLU 51 2.536 19.896 -16.948 423 HB2 GLU 51 2HB GLU 51 0.048 20.251 -16.021 424 HB3 GLU 51 3HB GLU 51 0.936 20.598 -14.544 425 HG2 GLU 51 2HG GLU 51 1.122 22.673 -15.297 426 HG3 GLU 51 3HG GLU 51 2.296 22.044 -16.452 427 H ASP 52 H ASP 52 4.420 20.512 -16.078 428 HA ASP 52 HA ASP 52 5.567 19.024 -13.956 429 HB2 ASP 52 2HB ASP 52 6.610 21.646 -15.027 430 HB3 ASP 52 3HB ASP 52 7.529 20.334 -14.294 431 H GLY 53 H GLY 53 3.781 21.987 -14.093 432 HA2 GLY 53 2HA GLY 53 4.665 22.950 -11.521 433 HA3 GLY 53 3HA GLY 53 3.370 23.622 -12.501 434 H ARG 54 H ARG 54 2.680 20.452 -12.387 435 HA ARG 54 HA ARG 54 0.759 20.847 -10.226 436 HB2 ARG 54 2HB ARG 54 0.733 19.468 -12.724 437 HB3 ARG 54 3HB ARG 54 0.464 18.292 -11.445 438 HG2 ARG 54 2HG ARG 54 -1.656 19.084 -12.180 439 HG3 ARG 54 3HG ARG 54 -1.354 19.753 -10.575 440 HD2 ARG 54 2HD ARG 54 -0.426 21.795 -11.835 441 HD3 ARG 54 3HD ARG 54 -1.255 21.126 -13.240 442 HE ARG 54 HE ARG 54 -3.020 21.276 -11.036 443 HH11 ARG 54 1HH1 ARG 54 -1.419 23.268 -13.400 444 HH12 ARG 54 2HH1 ARG 54 -2.637 24.500 -13.378 445 HH21 ARG 54 1HH2 ARG 54 -4.630 22.891 -10.998 446 HH22 ARG 54 2HH2 ARG 54 -4.463 24.285 -12.010 447 H THR 55 H THR 55 0.300 18.925 -8.810 448 HA THR 55 HA THR 55 2.846 17.714 -7.956 449 HB THR 55 HB THR 55 2.064 17.683 -5.712 450 HG1 THR 55 HG1 THR 55 -0.137 18.484 -5.283 451 HG21 THR 55 3HG2 THR 55 1.556 20.053 -5.263 452 HG22 THR 55 1HG2 THR 55 1.249 20.300 -6.982 453 HG23 THR 55 2HG2 THR 55 2.866 19.866 -6.428 454 H LEU 56 H LEU 56 2.637 15.586 -6.862 455 HA LEU 56 HA LEU 56 1.444 13.691 -8.518 456 HB2 LEU 56 2HB LEU 56 3.161 13.666 -6.350 457 HB3 LEU 56 3HB LEU 56 1.754 12.771 -5.779 458 HG LEU 56 HG LEU 56 2.033 11.423 -7.981 459 HD11 LEU 56 1HD1 LEU 56 3.654 12.726 -9.111 460 HD12 LEU 56 2HD1 LEU 56 4.470 11.252 -8.592 461 HD13 LEU 56 3HD1 LEU 56 4.716 12.755 -7.703 462 HD21 LEU 56 3HD2 LEU 56 4.080 11.094 -5.794 463 HD22 LEU 56 1HD2 LEU 56 3.430 9.841 -6.851 464 HD23 LEU 56 2HD2 LEU 56 2.389 10.610 -5.652 465 H SER 57 H SER 57 0.417 14.715 -5.259 466 HA SER 57 HA SER 57 -1.959 13.211 -5.223 467 HB2 SER 57 2HB SER 57 -0.769 15.374 -3.609 468 HB3 SER 57 3HB SER 57 -2.530 15.297 -3.560 469 HG SER 57 HG SER 57 -1.795 12.839 -3.303 470 H ASP 58 H ASP 58 -1.205 16.392 -6.471 471 HA ASP 58 HA ASP 58 -3.798 17.397 -6.780 472 HB2 ASP 58 2HB ASP 58 -1.154 17.944 -8.037 473 HB3 ASP 58 3HB ASP 58 -2.587 18.573 -8.847 474 H TYR 59 H TYR 59 -1.943 15.152 -8.723 475 HA TYR 59 HA TYR 59 -4.015 15.109 -10.783 476 HB2 TYR 59 2HB TYR 59 -1.177 14.468 -10.678 477 HB3 TYR 59 3HB TYR 59 -2.114 13.194 -11.451 478 HD1 TYR 59 HD1 TYR 59 -4.029 14.288 -13.097 479 HD2 TYR 59 HD2 TYR 59 -0.249 15.986 -12.132 480 HE1 TYR 59 HE1 TYR 59 -4.090 15.592 -15.181 481 HE2 TYR 59 HE2 TYR 59 -0.300 17.296 -14.213 482 HH TYR 59 HH TYR 59 -1.369 17.653 -16.138 483 H ASN 60 H ASN 60 -3.958 13.888 -7.897 484 HA ASN 60 HA ASN 60 -4.738 12.027 -6.837 485 HB2 ASN 60 2HB ASN 60 -6.623 12.806 -8.570 486 HB3 ASN 60 3HB ASN 60 -6.297 11.208 -9.235 487 HD21 ASN 60 1HD2 ASN 60 -8.230 12.842 -7.197 488 HD22 ASN 60 2HD2 ASN 60 -8.695 11.566 -6.129 489 H ILE 61 H ILE 61 -2.274 11.664 -8.173 490 HA ILE 61 HA ILE 61 -2.272 9.221 -9.651 491 HB ILE 61 HB ILE 61 -0.015 10.684 -8.279 492 HG12 ILE 61 2HG1 ILE 61 -0.702 10.516 -11.218 493 HG13 ILE 61 3HG1 ILE 61 -1.196 11.846 -10.176 494 HG21 ILE 61 1HG2 ILE 61 0.857 8.563 -8.464 495 HG22 ILE 61 2HG2 ILE 61 -0.083 8.186 -9.907 496 HG23 ILE 61 3HG2 ILE 61 1.313 9.258 -10.019 497 HD11 ILE 61 3HD1 ILE 61 0.782 12.827 -10.356 498 HD12 ILE 61 1HD1 ILE 61 1.642 11.332 -9.989 499 HD13 ILE 61 2HD1 ILE 61 1.134 11.674 -11.643 500 H GLN 62 H GLN 62 -3.122 7.508 -8.581 501 HA GLN 62 HA GLN 62 -2.645 6.974 -5.824 502 HB2 GLN 62 2HB GLN 62 -3.871 5.416 -8.080 503 HB3 GLN 62 3HB GLN 62 -3.585 4.659 -6.518 504 HG2 GLN 62 2HG GLN 62 -5.336 5.666 -5.586 505 HG3 GLN 62 3HG GLN 62 -4.932 7.226 -6.302 506 HE21 GLN 62 1HE2 GLN 62 -5.191 7.018 -8.868 507 HE22 GLN 62 2HE2 GLN 62 -6.756 6.466 -9.346 508 H LYS 63 H LYS 63 -1.881 4.586 -5.304 509 HA LYS 63 HA LYS 63 0.898 4.514 -5.985 510 HB2 LYS 63 2HB LYS 63 1.105 2.820 -4.373 511 HB3 LYS 63 3HB LYS 63 -0.182 3.848 -3.758 512 HG2 LYS 63 2HG LYS 63 -1.823 2.248 -4.756 513 HG3 LYS 63 3HG LYS 63 -0.464 1.182 -5.122 514 HD2 LYS 63 2HD LYS 63 0.110 1.360 -2.636 515 HD3 LYS 63 3HD LYS 63 -1.507 2.039 -2.436 516 HE2 LYS 63 2HE LYS 63 -0.866 -0.649 -3.647 517 HE3 LYS 63 3HE LYS 63 -1.457 -0.379 -2.008 518 HZ1 LYS 63 3HZ LYS 63 -3.487 -0.541 -2.852 519 HZ2 LYS 63 1HZ LYS 63 -2.917 -0.518 -4.445 520 HZ3 LYS 63 2HZ LYS 63 -3.231 0.935 -3.639 521 H GLU 64 H GLU 64 2.010 3.035 -7.221 522 HA GLU 64 HA GLU 64 2.385 1.375 -8.749 523 HB2 GLU 64 2HB GLU 64 0.541 0.195 -7.296 524 HB3 GLU 64 3HB GLU 64 -0.482 0.518 -8.689 525 HG2 GLU 64 2HG GLU 64 2.051 -0.645 -9.463 526 HG3 GLU 64 3HG GLU 64 1.178 -1.662 -8.318 527 H SER 65 H SER 65 1.343 4.079 -9.321 528 HA SER 65 HA SER 65 -0.348 3.826 -11.636 529 HB2 SER 65 2HB SER 65 -0.629 5.835 -10.404 530 HB3 SER 65 3HB SER 65 1.107 6.146 -10.367 531 HG SER 65 HG SER 65 -0.595 7.084 -12.090 532 H THR 66 H THR 66 0.225 4.312 -13.788 533 HA THR 66 HA THR 66 3.090 3.935 -14.372 534 HB THR 66 HB THR 66 0.759 3.180 -16.145 535 HG1 THR 66 HG1 THR 66 1.506 1.952 -14.006 536 HG21 THR 66 3HG2 THR 66 2.456 3.364 -17.654 537 HG22 THR 66 1HG2 THR 66 2.812 1.741 -17.065 538 HG23 THR 66 2HG2 THR 66 3.711 3.123 -16.438 539 H LEU 67 H LEU 67 4.090 5.579 -15.318 540 HA LEU 67 HA LEU 67 2.462 7.590 -16.727 541 HB2 LEU 67 2HB LEU 67 5.168 8.006 -15.475 542 HB3 LEU 67 3HB LEU 67 4.091 9.239 -16.127 543 HG LEU 67 HG LEU 67 2.482 8.314 -14.236 544 HD11 LEU 67 1HD1 LEU 67 4.828 8.106 -12.543 545 HD12 LEU 67 2HD1 LEU 67 4.738 6.805 -13.730 546 HD13 LEU 67 3HD1 LEU 67 3.393 7.083 -12.623 547 HD21 LEU 67 3HD2 LEU 67 2.914 10.254 -13.129 548 HD22 LEU 67 1HD2 LEU 67 3.776 10.599 -14.629 549 HD23 LEU 67 2HD2 LEU 67 4.664 10.043 -13.210 550 H HIS 68 H HIS 68 3.206 8.435 -18.682 551 HA HIS 68 HA HIS 68 4.956 6.642 -20.160 552 HB2 HIS 68 2HB HIS 68 2.646 7.916 -20.854 553 HB3 HIS 68 3HB HIS 68 3.851 8.995 -21.549 554 HD1 HIS 68 HD1 HIS 68 1.996 7.432 -23.396 555 HD2 HIS 68 HD2 HIS 68 5.727 6.062 -22.186 556 HE1 HIS 68 HE1 HIS 68 2.701 5.770 -25.146 557 H LEU 69 H LEU 69 6.880 7.214 -21.106 558 HA LEU 69 HA LEU 69 7.952 9.860 -20.372 559 HB2 LEU 69 2HB LEU 69 8.937 7.220 -19.818 560 HB3 LEU 69 3HB LEU 69 10.098 8.101 -20.809 561 HG LEU 69 HG LEU 69 8.979 9.165 -18.221 562 HD11 LEU 69 1HD1 LEU 69 10.211 7.057 -17.858 563 HD12 LEU 69 2HD1 LEU 69 11.022 8.457 -17.156 564 HD13 LEU 69 3HD1 LEU 69 11.610 7.763 -18.667 565 HD21 LEU 69 3HD2 LEU 69 11.546 9.950 -19.547 566 HD22 LEU 69 1HD2 LEU 69 10.568 10.846 -18.384 567 HD23 LEU 69 2HD2 LEU 69 10.015 10.670 -20.050 568 H VAL 70 H VAL 70 8.908 11.047 -21.934 569 HA VAL 70 HA VAL 70 8.778 10.001 -24.659 570 HB VAL 70 HB VAL 70 7.835 12.294 -23.910 571 HG11 VAL 70 1HG1 VAL 70 9.333 14.140 -23.896 572 HG12 VAL 70 2HG1 VAL 70 9.985 12.940 -22.779 573 HG13 VAL 70 3HG1 VAL 70 10.689 13.125 -24.386 574 HG21 VAL 70 3HG2 VAL 70 7.969 13.062 -26.093 575 HG22 VAL 70 1HG2 VAL 70 9.618 12.474 -26.305 576 HG23 VAL 70 2HG2 VAL 70 8.272 11.334 -26.280 577 H LEU 71 H LEU 71 10.534 10.282 -26.141 578 HA LEU 71 HA LEU 71 13.165 10.337 -24.814 579 HB2 LEU 71 2HB LEU 71 12.277 8.166 -25.894 580 HB3 LEU 71 3HB LEU 71 12.635 8.964 -27.424 581 HG LEU 71 HG LEU 71 14.887 9.026 -25.582 582 HD11 LEU 71 1HD1 LEU 71 13.631 6.399 -26.295 583 HD12 LEU 71 2HD1 LEU 71 14.239 6.952 -24.735 584 HD13 LEU 71 3HD1 LEU 71 15.368 6.552 -26.029 585 HD21 LEU 71 3HD2 LEU 71 15.732 7.727 -27.774 586 HD22 LEU 71 1HD2 LEU 71 15.571 9.482 -27.686 587 HD23 LEU 71 2HD2 LEU 71 14.296 8.515 -28.429 588 H ARG 72 H ARG 72 14.963 11.108 -26.145 589 HA ARG 72 HA ARG 72 14.089 13.289 -27.912 590 HB2 ARG 72 2HB ARG 72 15.306 14.177 -26.085 591 HB3 ARG 72 3HB ARG 72 16.535 12.924 -26.195 592 HG2 ARG 72 2HG ARG 72 17.536 13.897 -28.058 593 HG3 ARG 72 3HG ARG 72 16.112 14.871 -28.428 594 HD2 ARG 72 2HD ARG 72 17.957 16.201 -27.473 595 HD3 ARG 72 3HD ARG 72 16.498 16.248 -26.484 596 HE ARG 72 HE ARG 72 17.681 15.282 -24.791 597 HH11 ARG 72 1HH1 ARG 72 19.345 14.690 -27.791 598 HH12 ARG 72 2HH1 ARG 72 20.718 13.951 -27.035 599 HH21 ARG 72 1HH2 ARG 72 19.483 14.312 -23.784 600 HH22 ARG 72 2HH2 ARG 72 20.795 13.736 -24.755 601 H LEU 73 H LEU 73 14.369 13.001 -30.015 602 HA LEU 73 HA LEU 73 16.041 10.874 -31.013 603 HB2 LEU 73 2HB LEU 73 13.768 11.586 -31.923 604 HB3 LEU 73 3HB LEU 73 14.617 12.945 -32.658 605 HG LEU 73 HG LEU 73 16.103 10.882 -33.578 606 HD11 LEU 73 1HD1 LEU 73 15.081 8.922 -33.452 607 HD12 LEU 73 2HD1 LEU 73 13.672 9.585 -34.279 608 HD13 LEU 73 3HD1 LEU 73 13.780 9.662 -32.520 609 HD21 LEU 73 3HD2 LEU 73 13.581 12.008 -34.790 610 HD22 LEU 73 1HD2 LEU 73 14.832 11.130 -35.671 611 HD23 LEU 73 2HD2 LEU 73 15.206 12.683 -34.924 612 H ARG 74 H ARG 74 17.807 11.103 -32.418 613 HA ARG 74 HA ARG 74 19.196 13.681 -32.160 614 HB2 ARG 74 2HB ARG 74 20.272 10.903 -32.670 615 HB3 ARG 74 3HB ARG 74 21.256 12.361 -32.666 616 HG2 ARG 74 2HG ARG 74 21.223 12.545 -30.412 617 HG3 ARG 74 3HG ARG 74 19.595 11.878 -30.271 618 HD2 ARG 74 2HD ARG 74 20.339 9.753 -30.095 619 HD3 ARG 74 3HD ARG 74 21.659 10.011 -31.235 620 HE ARG 74 HE ARG 74 22.390 11.414 -29.010 621 HH11 ARG 74 1HH1 ARG 74 21.501 8.112 -29.662 622 HH12 ARG 74 2HH1 ARG 74 22.489 7.459 -28.398 623 HH21 ARG 74 1HH2 ARG 74 23.695 10.566 -27.342 624 HH22 ARG 74 2HH2 ARG 74 23.736 8.856 -27.078 625 H GLY 75 H GLY 75 19.074 14.931 -33.902 626 HA2 GLY 75 2HA GLY 75 19.885 15.245 -36.183 627 HA3 GLY 75 3HA GLY 75 19.273 13.639 -36.550 628 H GLY 76 H GLY 76 18.693 16.831 -36.993 629 HA2 GLY 76 2HA GLY 76 16.402 16.715 -38.392 630 HA3 GLY 76 3HA GLY 76 15.805 16.764 -36.740 Start of MODEL 5 1 H1 GLY 0 H GLY 0 0.490 8.584 -4.637 2 HA2 GLY 0 2HA GLY 0 -0.280 7.833 -1.958 3 HA3 GLY 0 3HA GLY 0 0.174 6.743 -3.261 4 H MET 1 H MET 1 2.262 6.025 -3.424 5 HA MET 1 HA MET 1 4.344 7.187 -1.785 6 HB2 MET 1 2HB MET 1 3.117 4.513 -1.195 7 HB3 MET 1 3HB MET 1 4.812 4.811 -0.832 8 HG2 MET 1 2HG MET 1 3.909 6.905 0.406 9 HG3 MET 1 3HG MET 1 2.376 6.037 0.374 10 HE1 MET 1 3HE MET 1 2.587 3.099 2.303 11 HE2 MET 1 1HE MET 1 2.081 4.545 3.177 12 HE3 MET 1 2HE MET 1 1.686 4.365 1.468 13 H GLN 2 H GLN 2 3.818 3.963 -3.207 14 HA GLN 2 HA GLN 2 6.330 4.241 -4.662 15 HB2 GLN 2 2HB GLN 2 5.718 2.175 -3.310 16 HB3 GLN 2 3HB GLN 2 4.543 1.814 -4.568 17 HG2 GLN 2 2HG GLN 2 6.181 1.400 -6.157 18 HG3 GLN 2 3HG GLN 2 7.416 2.275 -5.253 19 HE21 GLN 2 1HE2 GLN 2 8.857 1.052 -4.291 20 HE22 GLN 2 2HE2 GLN 2 8.623 -0.571 -3.747 21 H ILE 3 H ILE 3 6.460 4.610 -6.783 22 HA ILE 3 HA ILE 3 3.986 4.413 -8.373 23 HB ILE 3 HB ILE 3 4.882 6.756 -7.929 24 HG12 ILE 3 2HG1 ILE 3 4.835 6.160 -10.870 25 HG13 ILE 3 3HG1 ILE 3 3.396 5.885 -9.894 26 HG21 ILE 3 1HG2 ILE 3 6.794 7.523 -9.073 27 HG22 ILE 3 2HG2 ILE 3 7.278 6.016 -8.298 28 HG23 ILE 3 3HG2 ILE 3 6.916 6.043 -10.024 29 HD11 ILE 3 3HD1 ILE 3 3.901 8.184 -11.140 30 HD12 ILE 3 1HD1 ILE 3 2.991 8.087 -9.633 31 HD13 ILE 3 2HD1 ILE 3 4.702 8.514 -9.604 32 H PHE 4 H PHE 4 4.304 4.015 -10.683 33 HA PHE 4 HA PHE 4 6.791 2.555 -11.269 34 HB2 PHE 4 2HB PHE 4 4.071 1.542 -11.194 35 HB3 PHE 4 3HB PHE 4 4.805 1.305 -12.777 36 HD1 PHE 4 HD2 PHE 4 7.024 0.106 -12.905 37 HD2 PHE 4 HD1 PHE 4 4.625 0.168 -9.389 38 HE1 PHE 4 HE2 PHE 4 8.233 -1.859 -12.049 39 HE2 PHE 4 HE1 PHE 4 5.831 -1.796 -8.527 40 HZ PHE 4 HZ PHE 4 7.637 -2.813 -9.859 41 H VAL 5 H VAL 5 7.713 2.991 -13.187 42 HA VAL 5 HA VAL 5 6.161 4.573 -15.131 43 HB VAL 5 HB VAL 5 8.232 5.774 -15.720 44 HG11 VAL 5 1HG1 VAL 5 6.543 6.308 -13.689 45 HG12 VAL 5 2HG1 VAL 5 8.077 6.263 -12.818 46 HG13 VAL 5 3HG1 VAL 5 7.863 7.373 -14.172 47 HG21 VAL 5 3HG2 VAL 5 10.075 4.557 -15.172 48 HG22 VAL 5 1HG2 VAL 5 9.998 5.583 -13.739 49 HG23 VAL 5 2HG2 VAL 5 9.362 3.939 -13.682 50 H LYS 6 H LYS 6 6.073 3.739 -17.109 51 HA LYS 6 HA LYS 6 7.872 1.517 -17.769 52 HB2 LYS 6 2HB LYS 6 5.379 2.320 -19.263 53 HB3 LYS 6 3HB LYS 6 6.235 0.786 -19.337 54 HG2 LYS 6 2HG LYS 6 4.835 1.814 -16.879 55 HG3 LYS 6 3HG LYS 6 4.104 0.722 -18.057 56 HD2 LYS 6 2HD LYS 6 5.483 -1.039 -17.476 57 HD3 LYS 6 3HD LYS 6 6.736 0.021 -16.827 58 HE2 LYS 6 2HE LYS 6 5.898 -0.640 -14.842 59 HE3 LYS 6 3HE LYS 6 4.695 0.608 -15.164 60 HZ1 LYS 6 3HZ LYS 6 4.442 -2.312 -15.377 61 HZ2 LYS 6 1HZ LYS 6 3.475 -1.328 -16.357 62 HZ3 LYS 6 2HZ LYS 6 3.387 -1.192 -14.674 63 H THR 7 H THR 7 8.987 1.438 -19.730 64 HA THR 7 HA THR 7 9.386 4.063 -20.994 65 HB THR 7 HB THR 7 11.280 1.780 -21.395 66 HG1 THR 7 HG1 THR 7 11.082 1.869 -19.153 67 HG21 THR 7 3HG2 THR 7 11.321 4.750 -21.575 68 HG22 THR 7 1HG2 THR 7 12.002 3.544 -22.666 69 HG23 THR 7 2HG2 THR 7 12.820 3.924 -21.149 70 H LEU 8 H LEU 8 9.958 4.015 -23.330 71 HA LEU 8 HA LEU 8 7.945 2.666 -24.803 72 HB2 LEU 8 2HB LEU 8 8.841 3.737 -26.725 73 HB3 LEU 8 3HB LEU 8 8.931 4.878 -25.385 74 HG LEU 8 HG LEU 8 11.393 3.390 -25.646 75 HD11 LEU 8 1HD1 LEU 8 11.381 3.189 -27.891 76 HD12 LEU 8 2HD1 LEU 8 11.844 4.889 -27.829 77 HD13 LEU 8 3HD1 LEU 8 10.161 4.443 -28.108 78 HD21 LEU 8 3HD2 LEU 8 10.712 5.711 -24.588 79 HD22 LEU 8 1HD2 LEU 8 11.144 6.302 -26.192 80 HD23 LEU 8 2HD2 LEU 8 12.333 5.428 -25.225 81 H THR 9 H THR 9 10.973 1.675 -23.703 82 HA THR 9 HA THR 9 11.408 -0.237 -25.860 83 HB THR 9 HB THR 9 13.113 -0.381 -23.450 84 HG1 THR 9 HG1 THR 9 12.730 1.974 -24.908 85 HG21 THR 9 3HG2 THR 9 13.337 -1.487 -25.822 86 HG22 THR 9 1HG2 THR 9 14.768 -0.923 -24.960 87 HG23 THR 9 2HG2 THR 9 14.067 0.061 -26.244 88 H GLY 10 H GLY 10 9.538 -0.112 -23.154 89 HA2 GLY 10 2HA GLY 10 8.197 -1.860 -22.353 90 HA3 GLY 10 3HA GLY 10 9.297 -3.014 -23.094 91 H LYS 11 H LYS 11 10.843 -0.590 -21.277 92 HA LYS 11 HA LYS 11 11.588 -2.548 -19.264 93 HB2 LYS 11 2HB LYS 11 13.090 -0.752 -20.524 94 HB3 LYS 11 3HB LYS 11 12.580 0.262 -19.181 95 HG2 LYS 11 2HG LYS 11 14.224 -0.610 -17.987 96 HG3 LYS 11 3HG LYS 11 13.369 -2.154 -18.025 97 HD2 LYS 11 2HD LYS 11 14.556 -2.202 -20.447 98 HD3 LYS 11 3HD LYS 11 15.736 -1.253 -19.540 99 HE2 LYS 11 2HE LYS 11 15.359 -3.185 -17.763 100 HE3 LYS 11 3HE LYS 11 14.904 -4.087 -19.208 101 HZ1 LYS 11 3HZ LYS 11 17.491 -3.345 -18.299 102 HZ2 LYS 11 1HZ LYS 11 17.224 -2.766 -19.866 103 HZ3 LYS 11 2HZ LYS 11 17.058 -4.416 -19.535 104 H THR 12 H THR 12 10.768 -2.640 -17.277 105 HA THR 12 HA THR 12 8.941 -0.507 -16.428 106 HB THR 12 HB THR 12 8.204 -2.192 -14.697 107 HG1 THR 12 HG1 THR 12 10.213 -3.477 -15.003 108 HG21 THR 12 3HG2 THR 12 7.523 -3.757 -16.944 109 HG22 THR 12 1HG2 THR 12 7.661 -2.093 -17.508 110 HG23 THR 12 2HG2 THR 12 6.568 -2.486 -16.181 111 H ILE 13 H ILE 13 9.701 0.954 -15.059 112 HA ILE 13 HA ILE 13 11.808 0.148 -13.162 113 HB ILE 13 HB ILE 13 11.282 2.969 -14.082 114 HG12 ILE 13 2HG1 ILE 13 11.900 1.672 -16.041 115 HG13 ILE 13 3HG1 ILE 13 13.257 2.685 -15.558 116 HG21 ILE 13 1HG2 ILE 13 13.010 3.583 -12.785 117 HG22 ILE 13 2HG2 ILE 13 12.688 2.068 -11.943 118 HG23 ILE 13 3HG2 ILE 13 13.947 2.142 -13.176 119 HD11 ILE 13 3HD1 ILE 13 13.135 -0.150 -15.883 120 HD12 ILE 13 1HD1 ILE 13 14.531 0.882 -15.575 121 HD13 ILE 13 2HD1 ILE 13 13.592 0.243 -14.226 122 H THR 14 H THR 14 11.521 0.517 -11.027 123 HA THR 14 HA THR 14 8.943 1.685 -10.219 124 HB THR 14 HB THR 14 9.242 -0.673 -9.578 125 HG1 THR 14 HG1 THR 14 9.434 0.899 -7.225 126 HG21 THR 14 3HG2 THR 14 11.865 0.068 -9.060 127 HG22 THR 14 1HG2 THR 14 11.122 -1.485 -8.681 128 HG23 THR 14 2HG2 THR 14 11.173 -0.211 -7.462 129 H LEU 15 H LEU 15 8.863 3.349 -8.797 130 HA LEU 15 HA LEU 15 11.291 4.171 -7.403 131 HB2 LEU 15 2HB LEU 15 9.952 5.661 -9.583 132 HB3 LEU 15 3HB LEU 15 10.481 6.596 -8.186 133 HG LEU 15 HG LEU 15 12.596 4.867 -9.102 134 HD11 LEU 15 1HD1 LEU 15 12.742 6.597 -11.200 135 HD12 LEU 15 2HD1 LEU 15 11.020 6.221 -11.162 136 HD13 LEU 15 3HD1 LEU 15 12.203 4.921 -11.304 137 HD21 LEU 15 3HD2 LEU 15 13.484 7.364 -9.498 138 HD22 LEU 15 1HD2 LEU 15 13.401 6.610 -7.906 139 HD23 LEU 15 2HD2 LEU 15 12.122 7.705 -8.430 140 H GLU 16 H GLU 16 10.758 6.161 -5.979 141 HA GLU 16 HA GLU 16 8.054 5.816 -4.858 142 HB2 GLU 16 2HB GLU 16 10.461 5.198 -3.616 143 HB3 GLU 16 3HB GLU 16 10.037 6.770 -2.953 144 HG2 GLU 16 2HG GLU 16 7.733 5.063 -2.994 145 HG3 GLU 16 3HG GLU 16 9.073 4.265 -2.174 146 H VAL 17 H VAL 17 6.877 7.609 -4.559 147 HA VAL 17 HA VAL 17 8.197 10.214 -4.451 148 HB VAL 17 HB VAL 17 5.818 10.090 -6.217 149 HG11 VAL 17 1HG1 VAL 17 8.058 11.848 -5.651 150 HG12 VAL 17 2HG1 VAL 17 7.805 11.615 -7.382 151 HG13 VAL 17 3HG1 VAL 17 6.489 12.211 -6.369 152 HG21 VAL 17 3HG2 VAL 17 8.541 9.112 -7.069 153 HG22 VAL 17 1HG2 VAL 17 7.032 8.198 -7.070 154 HG23 VAL 17 2HG2 VAL 17 7.244 9.551 -8.181 155 H GLU 18 H GLU 18 6.468 11.978 -4.090 156 HA GLU 18 HA GLU 18 4.345 10.927 -2.340 157 HB2 GLU 18 2HB GLU 18 5.154 13.521 -1.459 158 HB3 GLU 18 3HB GLU 18 5.200 11.998 -0.582 159 HG2 GLU 18 2HG GLU 18 7.398 11.519 -1.594 160 HG3 GLU 18 3HG GLU 18 7.354 13.102 -2.369 161 HA PRO 19 HA PRO 19 1.470 13.564 -4.345 162 HB2 PRO 19 2HB PRO 19 0.010 14.587 -2.297 163 HB3 PRO 19 3HB PRO 19 -0.104 12.899 -2.809 164 HG2 PRO 19 2HG PRO 19 1.428 14.087 -0.528 165 HG3 PRO 19 3HG PRO 19 0.453 12.607 -0.570 166 HD2 PRO 19 2HD PRO 19 3.155 12.576 -0.741 167 HD3 PRO 19 3HD PRO 19 2.132 11.378 -1.560 168 H SER 20 H SER 20 3.260 15.043 -1.694 169 HA SER 20 HA SER 20 2.666 17.731 -2.574 170 HB2 SER 20 2HB SER 20 3.008 17.083 -0.156 171 HB3 SER 20 3HB SER 20 4.720 16.873 -0.527 172 HG SER 20 HG SER 20 4.428 18.945 0.234 173 H ASP 21 H ASP 21 4.625 15.392 -3.741 174 HA ASP 21 HA ASP 21 6.988 16.960 -4.259 175 HB2 ASP 21 2HB ASP 21 6.315 14.220 -4.338 176 HB3 ASP 21 3HB ASP 21 6.759 14.667 -5.983 177 H THR 22 H THR 22 7.441 18.153 -6.012 178 HA THR 22 HA THR 22 5.374 18.329 -8.094 179 HB THR 22 HB THR 22 7.403 20.400 -8.223 180 HG1 THR 22 HG1 THR 22 7.597 20.346 -6.040 181 HG21 THR 22 3HG2 THR 22 5.522 21.087 -9.276 182 HG22 THR 22 1HG2 THR 22 5.080 21.661 -7.669 183 HG23 THR 22 2HG2 THR 22 4.466 20.113 -8.252 184 H ILE 23 H ILE 23 5.946 18.384 -10.291 185 HA ILE 23 HA ILE 23 7.912 16.585 -11.106 186 HB ILE 23 HB ILE 23 6.347 18.678 -12.578 187 HG12 ILE 23 2HG1 ILE 23 5.478 16.607 -13.725 188 HG13 ILE 23 3HG1 ILE 23 6.424 15.656 -12.585 189 HG21 ILE 23 1HG2 ILE 23 7.307 17.625 -14.683 190 HG22 ILE 23 2HG2 ILE 23 8.356 18.730 -13.796 191 HG23 ILE 23 3HG2 ILE 23 8.586 16.987 -13.650 192 HD11 ILE 23 3HD1 ILE 23 4.454 17.672 -11.600 193 HD12 ILE 23 1HD1 ILE 23 3.924 16.072 -12.120 194 HD13 ILE 23 2HD1 ILE 23 5.081 16.232 -10.797 195 H GLU 24 H GLU 24 8.077 20.013 -10.525 196 HA GLU 24 HA GLU 24 10.529 20.455 -11.922 197 HB2 GLU 24 2HB GLU 24 9.358 22.117 -9.689 198 HB3 GLU 24 3HB GLU 24 10.523 22.636 -10.900 199 HG2 GLU 24 2HG GLU 24 8.573 21.897 -12.538 200 HG3 GLU 24 3HG GLU 24 7.595 22.260 -11.117 201 H ASN 25 H ASN 25 9.656 19.793 -8.562 202 HA ASN 25 HA ASN 25 12.326 20.047 -7.573 203 HB2 ASN 25 2HB ASN 25 9.690 19.257 -6.478 204 HB3 ASN 25 3HB ASN 25 11.098 18.585 -5.661 205 HD21 ASN 25 1HD2 ASN 25 9.764 20.066 -4.074 206 HD22 ASN 25 2HD2 ASN 25 10.418 21.654 -3.886 207 H VAL 26 H VAL 26 10.226 17.299 -8.374 208 HA VAL 26 HA VAL 26 11.913 15.226 -7.616 209 HB VAL 26 HB VAL 26 10.056 15.220 -10.000 210 HG11 VAL 26 1HG1 VAL 26 10.929 12.914 -8.270 211 HG12 VAL 26 2HG1 VAL 26 9.996 12.849 -9.767 212 HG13 VAL 26 3HG1 VAL 26 11.693 13.332 -9.804 213 HG21 VAL 26 3HG2 VAL 26 8.921 13.952 -7.731 214 HG22 VAL 26 1HG2 VAL 26 9.478 15.551 -7.237 215 HG23 VAL 26 2HG2 VAL 26 8.353 15.387 -8.585 216 H LYS 27 H LYS 27 11.984 17.263 -10.454 217 HA LYS 27 HA LYS 27 13.543 15.802 -12.193 218 HB2 LYS 27 2HB LYS 27 12.795 17.810 -13.073 219 HB3 LYS 27 3HB LYS 27 13.263 18.729 -11.648 220 HG2 LYS 27 2HG LYS 27 15.445 17.489 -13.211 221 HG3 LYS 27 3HG LYS 27 14.592 18.845 -13.953 222 HD2 LYS 27 2HD LYS 27 15.223 19.359 -11.171 223 HD3 LYS 27 3HD LYS 27 16.669 18.991 -12.113 224 HE2 LYS 27 2HE LYS 27 15.650 20.669 -13.822 225 HE3 LYS 27 3HE LYS 27 14.706 21.224 -12.440 226 HZ1 LYS 27 3HZ LYS 27 16.446 22.432 -11.843 227 HZ2 LYS 27 1HZ LYS 27 17.396 21.786 -13.085 228 HZ3 LYS 27 2HZ LYS 27 17.333 21.016 -11.581 229 H ALA 28 H ALA 28 14.585 17.770 -9.443 230 HA ALA 28 HA ALA 28 17.363 17.481 -9.878 231 HB1 ALA 28 1HB ALA 28 17.609 18.744 -8.028 232 HB2 ALA 28 2HB ALA 28 15.877 19.011 -8.229 233 HB3 ALA 28 3HB ALA 28 16.455 17.792 -7.093 234 H LYS 29 H LYS 29 15.024 15.630 -7.979 235 HA LYS 29 HA LYS 29 16.831 13.935 -6.669 236 HB2 LYS 29 2HB LYS 29 14.421 14.168 -6.102 237 HB3 LYS 29 3HB LYS 29 14.018 13.281 -7.566 238 HG2 LYS 29 2HG LYS 29 15.040 11.297 -6.738 239 HG3 LYS 29 3HG LYS 29 15.731 12.160 -5.362 240 HD2 LYS 29 2HD LYS 29 13.714 12.292 -4.260 241 HD3 LYS 29 3HD LYS 29 12.773 12.184 -5.750 242 HE2 LYS 29 2HE LYS 29 12.408 10.104 -4.840 243 HE3 LYS 29 3HE LYS 29 13.799 9.783 -5.875 244 HZ1 LYS 29 3HZ LYS 29 14.860 9.054 -4.091 245 HZ2 LYS 29 1HZ LYS 29 13.573 9.484 -3.080 246 HZ3 LYS 29 2HZ LYS 29 14.793 10.605 -3.419 247 H ILE 30 H ILE 30 15.176 13.593 -9.785 248 HA ILE 30 HA ILE 30 16.227 11.016 -10.360 249 HB ILE 30 HB ILE 30 15.196 13.084 -12.304 250 HG12 ILE 30 2HG1 ILE 30 13.694 10.794 -11.024 251 HG13 ILE 30 3HG1 ILE 30 13.609 12.458 -10.455 252 HG21 ILE 30 1HG2 ILE 30 15.591 11.614 -13.919 253 HG22 ILE 30 2HG2 ILE 30 16.439 10.608 -12.746 254 HG23 ILE 30 3HG2 ILE 30 14.719 10.356 -13.043 255 HD11 ILE 30 3HD1 ILE 30 12.766 11.455 -13.164 256 HD12 ILE 30 1HD1 ILE 30 11.703 11.932 -11.840 257 HD13 ILE 30 2HD1 ILE 30 12.718 13.137 -12.635 258 H GLN 31 H GLN 31 17.282 14.299 -11.055 259 HA GLN 31 HA GLN 31 19.366 13.561 -12.850 260 HB2 GLN 31 2HB GLN 31 18.189 15.948 -11.995 261 HB3 GLN 31 3HB GLN 31 19.859 16.051 -11.452 262 HG2 GLN 31 2HG GLN 31 20.649 16.305 -13.527 263 HG3 GLN 31 3HG GLN 31 19.550 15.102 -14.200 264 HE21 GLN 31 1HE2 GLN 31 20.399 18.034 -14.768 265 HE22 GLN 31 2HE2 GLN 31 18.894 18.802 -15.127 266 H ASP 32 H ASP 32 19.110 13.869 -9.388 267 HA ASP 32 HA ASP 32 21.943 13.834 -8.912 268 HB2 ASP 32 2HB ASP 32 19.891 14.666 -7.408 269 HB3 ASP 32 3HB ASP 32 20.043 13.032 -6.769 270 H LYS 33 H LYS 33 19.718 11.510 -9.824 271 HA LYS 33 HA LYS 33 21.297 9.337 -8.619 272 HB2 LYS 33 2HB LYS 33 18.725 9.558 -8.274 273 HB3 LYS 33 3HB LYS 33 18.620 8.938 -9.917 274 HG2 LYS 33 2HG LYS 33 20.371 7.200 -8.683 275 HG3 LYS 33 3HG LYS 33 19.174 7.548 -7.433 276 HD2 LYS 33 2HD LYS 33 17.397 7.036 -9.134 277 HD3 LYS 33 3HD LYS 33 18.682 6.470 -10.205 278 HE2 LYS 33 2HE LYS 33 18.223 5.396 -7.428 279 HE3 LYS 33 3HE LYS 33 17.524 4.679 -8.879 280 HZ1 LYS 33 3HZ LYS 33 20.436 5.108 -8.611 281 HZ2 LYS 33 1HZ LYS 33 19.617 4.078 -9.674 282 HZ3 LYS 33 2HZ LYS 33 19.690 3.707 -8.026 283 H GLU 34 H GLU 34 19.889 10.526 -11.629 284 HA GLU 34 HA GLU 34 21.664 8.685 -13.093 285 HB2 GLU 34 2HB GLU 34 18.984 9.720 -14.032 286 HB3 GLU 34 3HB GLU 34 20.025 8.589 -14.885 287 HG2 GLU 34 2HG GLU 34 19.755 7.049 -12.899 288 HG3 GLU 34 3HG GLU 34 18.479 8.135 -12.354 289 H GLY 35 H GLY 35 20.255 11.894 -12.888 290 HA2 GLY 35 2HA GLY 35 21.172 13.907 -13.576 291 HA3 GLY 35 3HA GLY 35 22.526 13.019 -14.258 292 H ILE 36 H ILE 36 19.440 11.916 -15.214 293 HA ILE 36 HA ILE 36 19.942 12.645 -17.941 294 HB ILE 36 HB ILE 36 17.427 11.449 -16.776 295 HG12 ILE 36 2HG1 ILE 36 19.323 10.045 -16.198 296 HG13 ILE 36 3HG1 ILE 36 18.394 9.272 -17.477 297 HG21 ILE 36 1HG2 ILE 36 16.699 11.087 -18.888 298 HG22 ILE 36 2HG2 ILE 36 17.715 12.488 -19.226 299 HG23 ILE 36 3HG2 ILE 36 18.326 10.862 -19.528 300 HD11 ILE 36 3HD1 ILE 36 20.263 9.070 -18.633 301 HD12 ILE 36 1HD1 ILE 36 20.335 10.827 -18.763 302 HD13 ILE 36 2HD1 ILE 36 21.153 10.007 -17.433 303 HA PRO 37 HA PRO 37 17.911 16.584 -17.786 304 HB2 PRO 37 2HB PRO 37 17.906 17.043 -20.461 305 HB3 PRO 37 3HB PRO 37 19.353 17.211 -19.460 306 HG2 PRO 37 2HG PRO 37 18.516 14.933 -21.213 307 HG3 PRO 37 3HG PRO 37 20.118 15.669 -21.024 308 HD2 PRO 37 2HD PRO 37 19.425 13.354 -19.802 309 HD3 PRO 37 3HD PRO 37 20.558 14.513 -19.079 310 HA PRO 38 HA PRO 38 13.775 14.924 -18.516 311 HB2 PRO 38 2HB PRO 38 12.506 16.854 -17.089 312 HB3 PRO 38 3HB PRO 38 13.296 15.464 -16.335 313 HG2 PRO 38 2HG PRO 38 14.302 18.263 -16.669 314 HG3 PRO 38 3HG PRO 38 14.409 17.197 -15.256 315 HD2 PRO 38 2HD PRO 38 16.483 17.575 -16.955 316 HD3 PRO 38 3HD PRO 38 16.210 16.039 -16.108 317 H ASP 39 H ASP 39 15.364 17.455 -19.837 318 HA ASP 39 HA ASP 39 13.202 19.050 -20.808 319 HB2 ASP 39 2HB ASP 39 16.133 18.900 -21.258 320 HB3 ASP 39 3HB ASP 39 15.171 19.631 -22.539 321 H GLN 40 H GLN 40 14.631 16.075 -21.763 322 HA GLN 40 HA GLN 40 13.282 16.205 -24.374 323 HB2 GLN 40 2HB GLN 40 15.390 14.233 -23.487 324 HB3 GLN 40 3HB GLN 40 14.758 14.446 -25.114 325 HG2 GLN 40 2HG GLN 40 16.399 15.863 -25.525 326 HG3 GLN 40 3HG GLN 40 15.722 16.955 -24.317 327 HE21 GLN 40 1HE2 GLN 40 17.580 17.726 -23.468 328 HE22 GLN 40 2HE2 GLN 40 18.743 16.756 -22.636 329 H GLN 41 H GLN 41 12.856 15.059 -21.303 330 HA GLN 41 HA GLN 41 11.568 12.561 -22.060 331 HB2 GLN 41 2HB GLN 41 12.959 13.226 -19.848 332 HB3 GLN 41 3HB GLN 41 11.330 13.579 -19.289 333 HG2 GLN 41 2HG GLN 41 11.389 11.417 -18.681 334 HG3 GLN 41 3HG GLN 41 10.903 11.168 -20.357 335 HE21 GLN 41 1HE2 GLN 41 12.558 9.630 -18.311 336 HE22 GLN 41 2HE2 GLN 41 13.980 9.187 -19.186 337 H ARG 42 H ARG 42 9.450 12.325 -22.382 338 HA ARG 42 HA ARG 42 7.670 14.529 -21.569 339 HB2 ARG 42 2HB ARG 42 8.156 13.433 -24.167 340 HB3 ARG 42 3HB ARG 42 6.495 13.084 -23.709 341 HG2 ARG 42 2HG ARG 42 6.936 15.759 -23.004 342 HG3 ARG 42 3HG ARG 42 7.658 15.545 -24.600 343 HD2 ARG 42 2HD ARG 42 4.909 14.516 -23.988 344 HD3 ARG 42 3HD ARG 42 5.169 16.199 -24.444 345 HE ARG 42 HE ARG 42 6.452 14.597 -26.330 346 HH11 ARG 42 1HH1 ARG 42 3.222 15.283 -25.226 347 HH12 ARG 42 2HH1 ARG 42 2.488 14.953 -26.761 348 HH21 ARG 42 1HH2 ARG 42 5.497 14.160 -28.355 349 HH22 ARG 42 2HH2 ARG 42 3.782 14.314 -28.539 350 H LEU 43 H LEU 43 6.575 13.819 -19.849 351 HA LEU 43 HA LEU 43 5.797 11.027 -19.637 352 HB2 LEU 43 2HB LEU 43 5.991 13.337 -17.815 353 HB3 LEU 43 3HB LEU 43 4.698 12.192 -17.467 354 HG LEU 43 HG LEU 43 6.412 10.384 -17.382 355 HD11 LEU 43 1HD1 LEU 43 8.777 11.154 -17.056 356 HD12 LEU 43 2HD1 LEU 43 8.281 12.722 -17.693 357 HD13 LEU 43 3HD1 LEU 43 8.166 11.282 -18.705 358 HD21 LEU 43 3HD2 LEU 43 7.473 11.280 -15.219 359 HD22 LEU 43 1HD2 LEU 43 5.716 11.147 -15.293 360 HD23 LEU 43 2HD2 LEU 43 6.491 12.718 -15.501 361 H ILE 44 H ILE 44 3.822 10.248 -20.036 362 HA ILE 44 HA ILE 44 1.618 12.168 -20.408 363 HB ILE 44 HB ILE 44 2.014 9.649 -22.023 364 HG12 ILE 44 2HG1 ILE 44 3.733 11.365 -22.528 365 HG13 ILE 44 3HG1 ILE 44 2.641 11.086 -23.881 366 HG21 ILE 44 1HG2 ILE 44 0.239 10.670 -23.445 367 HG22 ILE 44 2HG2 ILE 44 -0.301 10.216 -21.830 368 HG23 ILE 44 3HG2 ILE 44 0.029 11.907 -22.206 369 HD11 ILE 44 3HD1 ILE 44 1.494 13.119 -23.478 370 HD12 ILE 44 1HD1 ILE 44 2.312 13.349 -21.933 371 HD13 ILE 44 2HD1 ILE 44 3.221 13.476 -23.440 372 H PHE 45 H PHE 45 -0.235 11.717 -19.378 373 HA PHE 45 HA PHE 45 -0.876 9.016 -18.556 374 HB2 PHE 45 2HB PHE 45 0.584 9.846 -16.731 375 HB3 PHE 45 3HB PHE 45 -0.525 11.190 -16.482 376 HD1 PHE 45 HD2 PHE 45 -0.624 7.466 -16.704 377 HD2 PHE 45 HD1 PHE 45 -2.053 10.988 -14.789 378 HE1 PHE 45 HE2 PHE 45 -1.941 6.084 -15.151 379 HE2 PHE 45 HE1 PHE 45 -3.371 9.612 -13.233 380 HZ PHE 45 HZ PHE 45 -3.318 7.157 -13.414 381 H ALA 46 H ALA 46 -3.013 8.694 -18.613 382 HA ALA 46 HA ALA 46 -5.244 9.079 -18.842 383 HB1 ALA 46 1HB ALA 46 -5.899 11.440 -17.713 384 HB2 ALA 46 2HB ALA 46 -5.650 9.948 -16.804 385 HB3 ALA 46 3HB ALA 46 -4.348 11.132 -16.932 386 H GLY 47 H GLY 47 -3.229 10.202 -20.781 387 HA2 GLY 47 2HA GLY 47 -3.506 11.177 -22.866 388 HA3 GLY 47 3HA GLY 47 -5.136 11.637 -22.399 389 H LYS 48 H LYS 48 -3.220 12.658 -19.951 390 HA LYS 48 HA LYS 48 -3.052 15.359 -21.095 391 HB2 LYS 48 2HB LYS 48 -3.669 14.287 -18.420 392 HB3 LYS 48 3HB LYS 48 -2.627 15.704 -18.426 393 HG2 LYS 48 2HG LYS 48 -5.259 15.582 -19.874 394 HG3 LYS 48 3HG LYS 48 -5.079 16.166 -18.218 395 HD2 LYS 48 2HD LYS 48 -4.328 18.148 -18.915 396 HD3 LYS 48 3HD LYS 48 -3.156 17.396 -20.000 397 HE2 LYS 48 2HE LYS 48 -4.433 18.372 -21.588 398 HE3 LYS 48 3HE LYS 48 -5.414 16.923 -21.373 399 HZ1 LYS 48 3HZ LYS 48 -5.877 19.474 -19.928 400 HZ2 LYS 48 1HZ LYS 48 -6.872 18.105 -19.920 401 HZ3 LYS 48 2HZ LYS 48 -6.699 19.017 -21.334 402 H GLN 49 H GLN 49 -1.144 16.351 -21.353 403 HA GLN 49 HA GLN 49 1.272 14.867 -20.981 404 HB2 GLN 49 2HB GLN 49 2.355 16.986 -21.813 405 HB3 GLN 49 3HB GLN 49 1.159 16.280 -22.893 406 HG2 GLN 49 2HG GLN 49 0.051 18.241 -21.038 407 HG3 GLN 49 3HG GLN 49 1.269 18.897 -22.131 408 HE21 GLN 49 1HE2 GLN 49 -0.811 20.079 -22.717 409 HE22 GLN 49 2HE2 GLN 49 -1.737 19.393 -24.003 410 H LEU 50 H LEU 50 2.376 14.714 -19.155 411 HA LEU 50 HA LEU 50 1.818 16.019 -16.787 412 HB2 LEU 50 2HB LEU 50 3.113 14.042 -16.729 413 HB3 LEU 50 3HB LEU 50 4.341 14.731 -17.789 414 HG LEU 50 HG LEU 50 4.025 16.203 -15.288 415 HD11 LEU 50 1HD1 LEU 50 3.728 14.361 -14.015 416 HD12 LEU 50 2HD1 LEU 50 5.471 14.210 -14.236 417 HD13 LEU 50 3HD1 LEU 50 4.370 13.270 -15.243 418 HD21 LEU 50 3HD2 LEU 50 6.605 15.289 -15.487 419 HD22 LEU 50 1HD2 LEU 50 5.995 16.804 -16.154 420 HD23 LEU 50 2HD2 LEU 50 6.088 15.367 -17.173 421 H GLU 51 H GLU 51 1.739 18.176 -16.611 422 HA GLU 51 HA GLU 51 3.670 19.871 -17.935 423 HB2 GLU 51 2HB GLU 51 1.341 20.586 -17.794 424 HB3 GLU 51 3HB GLU 51 1.411 20.534 -16.038 425 HG2 GLU 51 2HG GLU 51 2.510 22.497 -15.882 426 HG3 GLU 51 3HG GLU 51 3.412 22.238 -17.374 427 H ASP 52 H ASP 52 5.357 20.928 -17.030 428 HA ASP 52 HA ASP 52 6.495 19.943 -14.651 429 HB2 ASP 52 2HB ASP 52 7.144 22.512 -16.114 430 HB3 ASP 52 3HB ASP 52 8.176 21.698 -14.941 431 H GLY 53 H GLY 53 4.385 22.644 -15.307 432 HA2 GLY 53 2HA GLY 53 4.813 23.908 -12.752 433 HA3 GLY 53 3HA GLY 53 3.591 24.338 -13.939 434 H ARG 54 H ARG 54 3.323 21.095 -13.517 435 HA ARG 54 HA ARG 54 1.110 21.452 -11.627 436 HB2 ARG 54 2HB ARG 54 1.705 19.475 -13.794 437 HB3 ARG 54 3HB ARG 54 0.632 19.012 -12.479 438 HG2 ARG 54 2HG ARG 54 0.218 21.474 -14.154 439 HG3 ARG 54 3HG ARG 54 -0.489 19.903 -14.537 440 HD2 ARG 54 2HD ARG 54 -1.198 20.147 -11.941 441 HD3 ARG 54 3HD ARG 54 -1.191 21.840 -12.432 442 HE ARG 54 HE ARG 54 -2.600 20.219 -14.297 443 HH11 ARG 54 1HH1 ARG 54 -2.865 21.749 -11.181 444 HH12 ARG 54 2HH1 ARG 54 -4.591 21.885 -11.250 445 HH21 ARG 54 1HH2 ARG 54 -4.872 20.392 -14.399 446 HH22 ARG 54 2HH2 ARG 54 -5.732 21.111 -13.080 447 H THR 55 H THR 55 0.693 19.617 -10.116 448 HA THR 55 HA THR 55 3.235 18.559 -9.060 449 HB THR 55 HB THR 55 0.828 18.985 -7.320 450 HG1 THR 55 HG1 THR 55 1.043 21.062 -7.660 451 HG21 THR 55 3HG2 THR 55 2.911 19.513 -5.766 452 HG22 THR 55 1HG2 THR 55 3.748 18.533 -6.969 453 HG23 THR 55 2HG2 THR 55 2.385 17.858 -6.076 454 H LEU 56 H LEU 56 3.014 16.548 -7.781 455 HA LEU 56 HA LEU 56 1.835 14.501 -9.242 456 HB2 LEU 56 2HB LEU 56 3.587 14.613 -7.195 457 HB3 LEU 56 3HB LEU 56 2.155 14.031 -6.348 458 HG LEU 56 HG LEU 56 2.260 12.367 -8.522 459 HD11 LEU 56 1HD1 LEU 56 5.049 13.140 -7.733 460 HD12 LEU 56 2HD1 LEU 56 4.352 13.006 -9.347 461 HD13 LEU 56 3HD1 LEU 56 4.676 11.552 -8.403 462 HD21 LEU 56 3HD2 LEU 56 3.796 11.523 -6.147 463 HD22 LEU 56 1HD2 LEU 56 2.427 10.754 -6.950 464 HD23 LEU 56 2HD2 LEU 56 2.158 12.109 -5.853 465 H SER 57 H SER 57 0.752 15.823 -6.110 466 HA SER 57 HA SER 57 -1.640 14.354 -5.992 467 HB2 SER 57 2HB SER 57 -1.356 15.220 -3.925 468 HB3 SER 57 3HB SER 57 -0.428 16.591 -4.532 469 HG SER 57 HG SER 57 -3.246 16.309 -4.427 470 H ASP 58 H ASP 58 -0.806 17.334 -7.591 471 HA ASP 58 HA ASP 58 -3.428 18.297 -8.037 472 HB2 ASP 58 2HB ASP 58 -0.747 19.034 -8.780 473 HB3 ASP 58 3HB ASP 58 -1.802 19.132 -10.187 474 H TYR 59 H TYR 59 -1.484 15.884 -9.603 475 HA TYR 59 HA TYR 59 -3.228 15.757 -11.927 476 HB2 TYR 59 2HB TYR 59 -0.579 14.708 -11.198 477 HB3 TYR 59 3HB TYR 59 -1.566 13.593 -12.137 478 HD1 TYR 59 HD2 TYR 59 -2.870 14.939 -14.151 479 HD2 TYR 59 HD1 TYR 59 0.887 15.967 -12.440 480 HE1 TYR 59 HE2 TYR 59 -2.265 16.134 -16.213 481 HE2 TYR 59 HE1 TYR 59 1.503 17.167 -14.497 482 HH TYR 59 HH TYR 59 -0.193 16.839 -17.392 483 H ASN 60 H ASN 60 -3.349 14.638 -8.829 484 HA ASN 60 HA ASN 60 -4.594 13.070 -7.751 485 HB2 ASN 60 2HB ASN 60 -6.023 13.658 -10.194 486 HB3 ASN 60 3HB ASN 60 -6.272 11.980 -9.722 487 HD21 ASN 60 1HD2 ASN 60 -7.075 11.563 -7.582 488 HD22 ASN 60 2HD2 ASN 60 -8.078 12.732 -6.800 489 H ILE 61 H ILE 61 -2.111 12.287 -8.940 490 HA ILE 61 HA ILE 61 -2.405 9.722 -10.175 491 HB ILE 61 HB ILE 61 0.029 10.954 -8.877 492 HG12 ILE 61 2HG1 ILE 61 -0.663 10.806 -11.814 493 HG13 ILE 61 3HG1 ILE 61 -1.006 12.213 -10.814 494 HG21 ILE 61 1HG2 ILE 61 1.222 9.329 -10.414 495 HG22 ILE 61 2HG2 ILE 61 0.409 8.633 -9.014 496 HG23 ILE 61 3HG2 ILE 61 -0.335 8.525 -10.609 497 HD11 ILE 61 3HD1 ILE 61 1.748 11.355 -10.577 498 HD12 ILE 61 1HD1 ILE 61 1.301 11.730 -12.241 499 HD13 ILE 61 2HD1 ILE 61 1.083 12.939 -10.975 500 H GLN 62 H GLN 62 -3.386 8.178 -9.001 501 HA GLN 62 HA GLN 62 -3.090 7.913 -6.179 502 HB2 GLN 62 2HB GLN 62 -4.322 6.196 -8.319 503 HB3 GLN 62 3HB GLN 62 -4.205 5.635 -6.656 504 HG2 GLN 62 2HG GLN 62 -5.536 8.211 -7.447 505 HG3 GLN 62 3HG GLN 62 -6.388 6.676 -7.292 506 HE21 GLN 62 1HE2 GLN 62 -6.983 5.979 -5.323 507 HE22 GLN 62 2HE2 GLN 62 -6.647 6.810 -3.846 508 H LYS 63 H LYS 63 -2.562 5.536 -5.378 509 HA LYS 63 HA LYS 63 0.231 5.174 -5.874 510 HB2 LYS 63 2HB LYS 63 0.024 3.302 -4.254 511 HB3 LYS 63 3HB LYS 63 -0.623 4.820 -3.645 512 HG2 LYS 63 2HG LYS 63 -2.804 4.087 -3.744 513 HG3 LYS 63 3HG LYS 63 -2.448 2.862 -4.963 514 HD2 LYS 63 2HD LYS 63 -1.826 1.328 -3.424 515 HD3 LYS 63 3HD LYS 63 -1.063 2.532 -2.382 516 HE2 LYS 63 2HE LYS 63 -3.249 3.237 -1.575 517 HE3 LYS 63 3HE LYS 63 -4.035 2.085 -2.653 518 HZ1 LYS 63 3HZ LYS 63 -3.983 0.847 -0.775 519 HZ2 LYS 63 1HZ LYS 63 -2.611 1.615 -0.151 520 HZ3 LYS 63 2HZ LYS 63 -2.448 0.439 -1.355 521 H GLU 64 H GLU 64 1.282 3.505 -6.900 522 HA GLU 64 HA GLU 64 1.604 1.686 -8.249 523 HB2 GLU 64 2HB GLU 64 -0.659 0.976 -6.854 524 HB3 GLU 64 3HB GLU 64 -1.197 0.871 -8.524 525 HG2 GLU 64 2HG GLU 64 0.844 -0.548 -8.960 526 HG3 GLU 64 3HG GLU 64 1.058 -0.612 -7.212 527 H SER 65 H SER 65 0.820 4.386 -9.134 528 HA SER 65 HA SER 65 -0.783 4.046 -11.498 529 HB2 SER 65 2HB SER 65 0.313 6.255 -9.987 530 HB3 SER 65 3HB SER 65 0.620 6.469 -11.710 531 HG SER 65 HG SER 65 -1.933 5.704 -10.808 532 H THR 66 H THR 66 -0.070 4.301 -13.658 533 HA THR 66 HA THR 66 2.771 3.621 -14.056 534 HB THR 66 HB THR 66 0.401 2.816 -15.755 535 HG1 THR 66 HG1 THR 66 0.460 1.471 -14.015 536 HG21 THR 66 3HG2 THR 66 3.143 3.090 -16.441 537 HG22 THR 66 1HG2 THR 66 1.833 2.423 -17.414 538 HG23 THR 66 2HG2 THR 66 2.775 1.367 -16.361 539 H LEU 67 H LEU 67 3.935 5.096 -15.089 540 HA LEU 67 HA LEU 67 2.534 7.071 -16.766 541 HB2 LEU 67 2HB LEU 67 4.616 7.286 -14.753 542 HB3 LEU 67 3HB LEU 67 5.071 8.061 -16.269 543 HG LEU 67 HG LEU 67 4.012 9.562 -14.559 544 HD11 LEU 67 1HD1 LEU 67 2.473 9.340 -17.138 545 HD12 LEU 67 2HD1 LEU 67 4.090 10.031 -17.006 546 HD13 LEU 67 3HD1 LEU 67 2.737 10.786 -16.164 547 HD21 LEU 67 3HD2 LEU 67 2.206 7.555 -14.244 548 HD22 LEU 67 1HD2 LEU 67 1.322 8.659 -15.298 549 HD23 LEU 67 2HD2 LEU 67 1.946 9.229 -13.750 550 H HIS 68 H HIS 68 3.448 7.690 -18.752 551 HA HIS 68 HA HIS 68 5.056 5.597 -19.991 552 HB2 HIS 68 2HB HIS 68 2.877 6.690 -20.953 553 HB3 HIS 68 3HB HIS 68 3.973 7.965 -21.477 554 HD1 HIS 68 HD1 HIS 68 6.001 7.108 -23.064 555 HD2 HIS 68 HD2 HIS 68 2.761 4.545 -22.621 556 HE1 HIS 68 HE1 HIS 68 6.172 5.473 -24.967 557 H LEU 69 H LEU 69 7.053 5.905 -20.888 558 HA LEU 69 HA LEU 69 8.288 8.550 -20.491 559 HB2 LEU 69 2HB LEU 69 9.721 5.915 -20.247 560 HB3 LEU 69 3HB LEU 69 10.339 7.517 -19.849 561 HG LEU 69 HG LEU 69 7.977 6.483 -18.353 562 HD11 LEU 69 1HD1 LEU 69 9.053 4.698 -17.595 563 HD12 LEU 69 2HD1 LEU 69 10.219 5.787 -16.846 564 HD13 LEU 69 3HD1 LEU 69 10.523 5.146 -18.460 565 HD21 LEU 69 3HD2 LEU 69 10.372 8.109 -17.511 566 HD22 LEU 69 1HD2 LEU 69 8.898 7.826 -16.584 567 HD23 LEU 69 2HD2 LEU 69 8.839 8.789 -18.061 568 H VAL 70 H VAL 70 8.546 9.403 -22.450 569 HA VAL 70 HA VAL 70 9.305 7.662 -24.687 570 HB VAL 70 HB VAL 70 7.334 9.324 -24.801 571 HG11 VAL 70 1HG1 VAL 70 7.776 11.582 -25.245 572 HG12 VAL 70 2HG1 VAL 70 8.810 11.190 -23.869 573 HG13 VAL 70 3HG1 VAL 70 9.497 11.288 -25.491 574 HG21 VAL 70 3HG2 VAL 70 8.740 10.026 -27.169 575 HG22 VAL 70 1HG2 VAL 70 9.198 8.383 -26.721 576 HG23 VAL 70 2HG2 VAL 70 7.498 8.793 -26.952 577 H LEU 71 H LEU 71 11.025 8.243 -26.092 578 HA LEU 71 HA LEU 71 13.071 9.924 -24.801 579 HB2 LEU 71 2HB LEU 71 13.164 7.253 -25.748 580 HB3 LEU 71 3HB LEU 71 14.200 8.227 -26.789 581 HG LEU 71 HG LEU 71 14.690 8.809 -24.002 582 HD11 LEU 71 1HD1 LEU 71 15.373 6.765 -23.162 583 HD12 LEU 71 2HD1 LEU 71 15.415 6.007 -24.753 584 HD13 LEU 71 3HD1 LEU 71 13.867 6.356 -23.983 585 HD21 LEU 71 3HD2 LEU 71 16.925 8.638 -24.652 586 HD22 LEU 71 1HD2 LEU 71 16.102 9.200 -26.107 587 HD23 LEU 71 2HD2 LEU 71 16.558 7.504 -25.952 588 H ARG 72 H ARG 72 14.163 11.439 -25.998 589 HA ARG 72 HA ARG 72 12.970 12.087 -28.594 590 HB2 ARG 72 2HB ARG 72 13.239 13.725 -26.552 591 HB3 ARG 72 3HB ARG 72 14.878 13.896 -27.167 592 HG2 ARG 72 2HG ARG 72 13.484 15.657 -28.036 593 HG3 ARG 72 3HG ARG 72 13.969 14.579 -29.346 594 HD2 ARG 72 2HD ARG 72 11.569 15.272 -29.406 595 HD3 ARG 72 3HD ARG 72 11.828 13.528 -29.372 596 HE ARG 72 HE ARG 72 11.482 14.539 -26.749 597 HH11 ARG 72 1HH1 ARG 72 9.725 13.778 -29.657 598 HH12 ARG 72 2HH1 ARG 72 8.234 13.469 -28.831 599 HH21 ARG 72 1HH2 ARG 72 9.524 14.134 -25.650 600 HH22 ARG 72 2HH2 ARG 72 8.121 13.672 -26.552 601 H LEU 73 H LEU 73 14.021 11.540 -30.376 602 HA LEU 73 HA LEU 73 16.815 10.774 -30.256 603 HB2 LEU 73 2HB LEU 73 14.665 9.882 -31.701 604 HB3 LEU 73 3HB LEU 73 15.539 10.851 -32.886 605 HG LEU 73 HG LEU 73 17.500 9.272 -31.711 606 HD11 LEU 73 1HD1 LEU 73 16.293 7.637 -30.710 607 HD12 LEU 73 2HD1 LEU 73 16.277 6.992 -32.351 608 HD13 LEU 73 3HD1 LEU 73 14.885 7.887 -31.742 609 HD21 LEU 73 3HD2 LEU 73 17.255 9.947 -34.082 610 HD22 LEU 73 1HD2 LEU 73 15.980 8.741 -34.260 611 HD23 LEU 73 2HD2 LEU 73 17.626 8.234 -33.880 612 H ARG 74 H ARG 74 18.492 11.746 -31.370 613 HA ARG 74 HA ARG 74 17.923 14.452 -32.387 614 HB2 ARG 74 2HB ARG 74 19.607 13.699 -30.307 615 HB3 ARG 74 3HB ARG 74 20.698 13.963 -31.661 616 HG2 ARG 74 2HG ARG 74 19.062 16.147 -31.806 617 HG3 ARG 74 3HG ARG 74 19.183 15.878 -30.066 618 HD2 ARG 74 2HD ARG 74 21.704 15.694 -31.587 619 HD3 ARG 74 3HD ARG 74 20.974 17.296 -31.496 620 HE ARG 74 HE ARG 74 21.069 16.071 -28.938 621 HH11 ARG 74 1HH1 ARG 74 23.047 17.674 -31.312 622 HH12 ARG 74 2HH1 ARG 74 24.191 18.263 -30.152 623 HH21 ARG 74 1HH2 ARG 74 22.569 16.841 -27.401 624 HH22 ARG 74 2HH2 ARG 74 23.919 17.788 -27.928 625 H GLY 75 H GLY 75 18.010 14.496 -34.535 626 HA2 GLY 75 2HA GLY 75 19.641 14.529 -36.399 627 HA3 GLY 75 3HA GLY 75 20.136 12.930 -35.863 628 H GLY 76 H GLY 76 18.240 14.612 -38.030 629 HA2 GLY 76 2HA GLY 76 17.290 12.341 -39.344 630 HA3 GLY 76 3HA GLY 76 15.999 12.912 -38.297 Start of MODEL 6 1 H1 GLY 0 H GLY 0 3.255 4.261 3.136 2 HA2 GLY 0 2HA GLY 0 5.663 3.758 1.502 3 HA3 GLY 0 3HA GLY 0 4.586 2.502 2.095 4 H MET 1 H MET 1 5.024 5.037 -0.269 5 HA MET 1 HA MET 1 2.798 3.884 -1.816 6 HB2 MET 1 2HB MET 1 3.663 6.773 -1.932 7 HB3 MET 1 3HB MET 1 2.245 6.050 -2.678 8 HG2 MET 1 2HG MET 1 1.949 5.470 0.007 9 HG3 MET 1 3HG MET 1 2.606 7.105 -0.009 10 HE1 MET 1 3HE MET 1 -0.972 6.362 0.800 11 HE2 MET 1 1HE MET 1 0.501 7.141 1.377 12 HE3 MET 1 2HE MET 1 -0.805 8.115 0.702 13 H GLN 2 H GLN 2 4.055 2.541 -3.069 14 HA GLN 2 HA GLN 2 6.324 3.664 -4.512 15 HB2 GLN 2 2HB GLN 2 6.640 1.323 -5.313 16 HB3 GLN 2 3HB GLN 2 6.686 1.487 -3.563 17 HG2 GLN 2 2HG GLN 2 4.796 0.289 -3.259 18 HG3 GLN 2 3HG GLN 2 4.064 0.855 -4.759 19 HE21 GLN 2 1HE2 GLN 2 3.433 -1.324 -5.142 20 HE22 GLN 2 2HE2 GLN 2 4.564 -2.467 -5.773 21 H ILE 3 H ILE 3 6.475 3.736 -6.762 22 HA ILE 3 HA ILE 3 3.951 3.355 -8.229 23 HB ILE 3 HB ILE 3 4.385 5.348 -9.547 24 HG12 ILE 3 2HG1 ILE 3 6.243 6.877 -8.321 25 HG13 ILE 3 3HG1 ILE 3 6.944 5.285 -8.052 26 HG21 ILE 3 1HG2 ILE 3 4.387 7.015 -7.471 27 HG22 ILE 3 2HG2 ILE 3 2.999 6.007 -7.875 28 HG23 ILE 3 3HG2 ILE 3 4.112 5.505 -6.603 29 HD11 ILE 3 3HD1 ILE 3 7.815 5.407 -10.077 30 HD12 ILE 3 1HD1 ILE 3 6.182 5.324 -10.737 31 HD13 ILE 3 2HD1 ILE 3 6.928 6.891 -10.422 32 H PHE 4 H PHE 4 4.335 3.348 -10.653 33 HA PHE 4 HA PHE 4 6.941 2.188 -11.344 34 HB2 PHE 4 2HB PHE 4 4.494 0.746 -11.151 35 HB3 PHE 4 3HB PHE 4 4.922 0.852 -12.856 36 HD1 PHE 4 HD2 PHE 4 7.403 0.264 -13.426 37 HD2 PHE 4 HD1 PHE 4 5.399 -0.934 -9.867 38 HE1 PHE 4 HE2 PHE 4 9.023 -1.564 -13.133 39 HE2 PHE 4 HE1 PHE 4 7.017 -2.763 -9.568 40 HZ PHE 4 HZ PHE 4 8.831 -3.081 -11.203 41 H VAL 5 H VAL 5 7.784 3.033 -13.135 42 HA VAL 5 HA VAL 5 5.992 4.520 -14.944 43 HB VAL 5 HB VAL 5 7.590 5.961 -13.738 44 HG11 VAL 5 1HG1 VAL 5 9.772 5.521 -13.534 45 HG12 VAL 5 2HG1 VAL 5 9.365 3.895 -14.086 46 HG13 VAL 5 3HG1 VAL 5 9.936 5.102 -15.239 47 HG21 VAL 5 3HG2 VAL 5 8.441 7.151 -15.683 48 HG22 VAL 5 1HG2 VAL 5 8.182 5.724 -16.687 49 HG23 VAL 5 2HG2 VAL 5 6.803 6.570 -15.983 50 H LYS 6 H LYS 6 5.949 3.974 -17.037 51 HA LYS 6 HA LYS 6 7.764 1.848 -17.928 52 HB2 LYS 6 2HB LYS 6 5.341 2.751 -19.451 53 HB3 LYS 6 3HB LYS 6 6.126 1.177 -19.454 54 HG2 LYS 6 2HG LYS 6 5.369 1.011 -17.011 55 HG3 LYS 6 3HG LYS 6 4.293 2.356 -17.400 56 HD2 LYS 6 2HD LYS 6 2.914 0.587 -17.865 57 HD3 LYS 6 3HD LYS 6 3.664 0.817 -19.446 58 HE2 LYS 6 2HE LYS 6 5.415 -0.869 -18.139 59 HE3 LYS 6 3HE LYS 6 3.832 -1.430 -17.605 60 HZ1 LYS 6 3HZ LYS 6 3.266 -2.102 -19.677 61 HZ2 LYS 6 1HZ LYS 6 4.943 -2.269 -19.833 62 HZ3 LYS 6 2HZ LYS 6 4.168 -0.900 -20.455 63 H THR 7 H THR 7 8.908 1.995 -19.858 64 HA THR 7 HA THR 7 9.221 4.736 -20.887 65 HB THR 7 HB THR 7 11.321 2.874 -21.665 66 HG1 THR 7 HG1 THR 7 12.168 2.556 -19.607 67 HG21 THR 7 3HG2 THR 7 11.405 5.353 -21.822 68 HG22 THR 7 1HG2 THR 7 12.755 4.667 -20.919 69 HG23 THR 7 2HG2 THR 7 11.417 5.430 -20.060 70 H LEU 8 H LEU 8 10.142 4.706 -23.223 71 HA LEU 8 HA LEU 8 8.190 3.335 -24.851 72 HB2 LEU 8 2HB LEU 8 9.021 5.736 -25.140 73 HB3 LEU 8 3HB LEU 8 10.465 5.021 -25.851 74 HG LEU 8 HG LEU 8 8.102 3.966 -27.112 75 HD11 LEU 8 1HD1 LEU 8 8.365 6.963 -27.003 76 HD12 LEU 8 2HD1 LEU 8 6.974 5.985 -26.537 77 HD13 LEU 8 3HD1 LEU 8 7.442 6.098 -28.233 78 HD21 LEU 8 3HD2 LEU 8 10.329 3.893 -28.073 79 HD22 LEU 8 1HD2 LEU 8 10.399 5.655 -28.097 80 HD23 LEU 8 2HD2 LEU 8 9.242 4.806 -29.121 81 H THR 9 H THR 9 11.017 2.374 -23.554 82 HA THR 9 HA THR 9 11.847 0.814 -25.904 83 HB THR 9 HB THR 9 13.808 0.281 -24.161 84 HG1 THR 9 HG1 THR 9 13.431 1.523 -22.459 85 HG21 THR 9 3HG2 THR 9 13.396 2.227 -26.286 86 HG22 THR 9 1HG2 THR 9 14.775 1.175 -25.972 87 HG23 THR 9 2HG2 THR 9 14.642 2.726 -25.143 88 H GLY 10 H GLY 10 9.706 0.430 -23.600 89 HA2 GLY 10 2HA GLY 10 8.651 -1.490 -22.853 90 HA3 GLY 10 3HA GLY 10 9.918 -2.439 -23.615 91 H LYS 11 H LYS 11 11.080 0.009 -21.566 92 HA LYS 11 HA LYS 11 11.863 -2.005 -19.600 93 HB2 LYS 11 2HB LYS 11 13.029 0.443 -20.644 94 HB3 LYS 11 3HB LYS 11 13.034 0.423 -18.885 95 HG2 LYS 11 2HG LYS 11 15.102 -0.482 -19.747 96 HG3 LYS 11 3HG LYS 11 14.182 -1.742 -18.921 97 HD2 LYS 11 2HD LYS 11 13.423 -2.632 -21.033 98 HD3 LYS 11 3HD LYS 11 14.198 -1.308 -21.907 99 HE2 LYS 11 2HE LYS 11 16.338 -2.118 -21.481 100 HE3 LYS 11 3HE LYS 11 15.797 -3.107 -20.125 101 HZ1 LYS 11 3HZ LYS 11 14.565 -3.830 -22.615 102 HZ2 LYS 11 1HZ LYS 11 15.339 -4.805 -21.469 103 HZ3 LYS 11 2HZ LYS 11 16.249 -3.998 -22.644 104 H THR 12 H THR 12 11.166 -2.033 -17.539 105 HA THR 12 HA THR 12 9.242 0.051 -16.746 106 HB THR 12 HB THR 12 8.445 -1.698 -15.077 107 HG1 THR 12 HG1 THR 12 9.542 -3.639 -16.779 108 HG21 THR 12 3HG2 THR 12 8.114 -1.847 -18.038 109 HG22 THR 12 1HG2 THR 12 6.945 -1.399 -16.797 110 HG23 THR 12 2HG2 THR 12 7.372 -3.093 -17.035 111 H ILE 13 H ILE 13 9.798 1.369 -15.147 112 HA ILE 13 HA ILE 13 11.918 0.505 -13.289 113 HB ILE 13 HB ILE 13 11.345 3.381 -13.960 114 HG12 ILE 13 2HG1 ILE 13 11.928 2.341 -16.062 115 HG13 ILE 13 3HG1 ILE 13 13.316 3.257 -15.486 116 HG21 ILE 13 1HG2 ILE 13 13.229 3.885 -12.776 117 HG22 ILE 13 2HG2 ILE 13 12.721 2.435 -11.912 118 HG23 ILE 13 3HG2 ILE 13 13.997 2.337 -13.125 119 HD11 ILE 13 3HD1 ILE 13 14.410 1.378 -16.047 120 HD12 ILE 13 1HD1 ILE 13 13.895 0.860 -14.442 121 HD13 ILE 13 2HD1 ILE 13 12.982 0.360 -15.867 122 H THR 14 H THR 14 11.628 0.834 -11.127 123 HA THR 14 HA THR 14 8.979 1.836 -10.312 124 HB THR 14 HB THR 14 9.377 -0.572 -9.840 125 HG1 THR 14 HG1 THR 14 8.027 -0.037 -8.302 126 HG21 THR 14 3HG2 THR 14 11.098 -1.360 -8.555 127 HG22 THR 14 1HG2 THR 14 11.257 0.144 -7.648 128 HG23 THR 14 2HG2 THR 14 11.904 0.027 -9.285 129 H LEU 15 H LEU 15 8.819 3.350 -8.720 130 HA LEU 15 HA LEU 15 11.246 4.184 -7.315 131 HB2 LEU 15 2HB LEU 15 10.279 5.558 -9.518 132 HB3 LEU 15 3HB LEU 15 9.647 6.461 -8.143 133 HG LEU 15 HG LEU 15 12.196 6.267 -7.370 134 HD11 LEU 15 1HD1 LEU 15 13.403 5.305 -8.997 135 HD12 LEU 15 2HD1 LEU 15 13.307 6.890 -9.763 136 HD13 LEU 15 3HD1 LEU 15 12.182 5.616 -10.231 137 HD21 LEU 15 3HD2 LEU 15 11.092 8.356 -7.492 138 HD22 LEU 15 1HD2 LEU 15 10.946 8.259 -9.247 139 HD23 LEU 15 2HD2 LEU 15 12.528 8.498 -8.507 140 H GLU 16 H GLU 16 10.691 5.871 -5.607 141 HA GLU 16 HA GLU 16 8.045 5.274 -4.455 142 HB2 GLU 16 2HB GLU 16 10.672 5.649 -3.007 143 HB3 GLU 16 3HB GLU 16 9.109 5.480 -2.221 144 HG2 GLU 16 2HG GLU 16 9.463 3.299 -2.173 145 HG3 GLU 16 3HG GLU 16 9.276 3.293 -3.925 146 H VAL 17 H VAL 17 6.829 6.958 -3.824 147 HA VAL 17 HA VAL 17 8.031 9.554 -3.318 148 HB VAL 17 HB VAL 17 6.403 10.679 -4.885 149 HG11 VAL 17 1HG1 VAL 17 8.821 10.442 -5.347 150 HG12 VAL 17 2HG1 VAL 17 8.482 8.935 -6.202 151 HG13 VAL 17 3HG1 VAL 17 7.839 10.461 -6.812 152 HG21 VAL 17 3HG2 VAL 17 6.291 8.059 -6.337 153 HG22 VAL 17 1HG2 VAL 17 5.072 8.490 -5.137 154 HG23 VAL 17 2HG2 VAL 17 5.300 9.499 -6.565 155 H GLU 18 H GLU 18 6.038 11.188 -3.012 156 HA GLU 18 HA GLU 18 4.027 9.788 -1.376 157 HB2 GLU 18 2HB GLU 18 5.888 11.950 -0.658 158 HB3 GLU 18 3HB GLU 18 4.220 12.242 -0.186 159 HG2 GLU 18 2HG GLU 18 5.105 11.196 1.669 160 HG3 GLU 18 3HG GLU 18 4.317 9.871 0.813 161 HA PRO 19 HA PRO 19 0.863 12.069 -3.382 162 HB2 PRO 19 2HB PRO 19 -0.781 12.796 -1.348 163 HB3 PRO 19 3HB PRO 19 -0.641 11.130 -1.922 164 HG2 PRO 19 2HG PRO 19 0.645 12.432 0.447 165 HG3 PRO 19 3HG PRO 19 -0.109 10.832 0.322 166 HD2 PRO 19 2HD PRO 19 2.574 11.188 0.237 167 HD3 PRO 19 3HD PRO 19 1.754 9.891 -0.655 168 H SER 20 H SER 20 2.366 13.679 -0.634 169 HA SER 20 HA SER 20 1.420 16.290 -1.443 170 HB2 SER 20 2HB SER 20 2.406 15.160 0.949 171 HB3 SER 20 3HB SER 20 3.558 16.410 0.482 172 HG SER 20 HG SER 20 2.151 17.740 1.281 173 H ASP 21 H ASP 21 3.679 14.308 -2.667 174 HA ASP 21 HA ASP 21 5.836 16.196 -3.022 175 HB2 ASP 21 2HB ASP 21 5.506 13.383 -3.289 176 HB3 ASP 21 3HB ASP 21 6.030 14.010 -4.850 177 H THR 22 H THR 22 6.456 17.170 -4.960 178 HA THR 22 HA THR 22 4.262 17.500 -6.886 179 HB THR 22 HB THR 22 5.434 19.561 -7.598 180 HG1 THR 22 HG1 THR 22 7.090 20.146 -5.781 181 HG21 THR 22 3HG2 THR 22 4.281 20.691 -6.053 182 HG22 THR 22 1HG2 THR 22 5.336 20.130 -4.757 183 HG23 THR 22 2HG2 THR 22 3.970 19.141 -5.272 184 H ILE 23 H ILE 23 4.756 17.625 -9.156 185 HA ILE 23 HA ILE 23 6.376 15.526 -10.073 186 HB ILE 23 HB ILE 23 4.467 16.347 -11.357 187 HG12 ILE 23 2HG1 ILE 23 5.570 16.431 -13.598 188 HG13 ILE 23 3HG1 ILE 23 7.124 16.587 -12.785 189 HG21 ILE 23 1HG2 ILE 23 4.279 18.447 -12.267 190 HG22 ILE 23 2HG2 ILE 23 5.140 18.807 -10.771 191 HG23 ILE 23 3HG2 ILE 23 6.023 18.709 -12.295 192 HD11 ILE 23 3HD1 ILE 23 5.564 14.313 -11.855 193 HD12 ILE 23 1HD1 ILE 23 5.954 14.247 -13.574 194 HD13 ILE 23 2HD1 ILE 23 7.245 14.402 -12.381 195 H GLU 24 H GLU 24 6.959 18.991 -9.811 196 HA GLU 24 HA GLU 24 9.363 19.076 -11.278 197 HB2 GLU 24 2HB GLU 24 9.676 21.246 -10.385 198 HB3 GLU 24 3HB GLU 24 7.937 21.041 -10.548 199 HG2 GLU 24 2HG GLU 24 7.895 21.842 -8.461 200 HG3 GLU 24 3HG GLU 24 8.289 20.182 -8.018 201 H ASN 25 H ASN 25 8.634 18.148 -8.001 202 HA ASN 25 HA ASN 25 11.329 18.261 -7.049 203 HB2 ASN 25 2HB ASN 25 8.855 18.026 -5.856 204 HB3 ASN 25 3HB ASN 25 9.538 16.417 -5.644 205 HD21 ASN 25 1HD2 ASN 25 9.967 19.819 -4.983 206 HD22 ASN 25 2HD2 ASN 25 11.073 19.623 -3.670 207 H VAL 26 H VAL 26 9.436 15.965 -8.796 208 HA VAL 26 HA VAL 26 11.034 13.670 -8.151 209 HB VAL 26 HB VAL 26 9.032 14.126 -10.366 210 HG11 VAL 26 1HG1 VAL 26 10.918 11.968 -9.910 211 HG12 VAL 26 2HG1 VAL 26 9.246 11.404 -9.944 212 HG13 VAL 26 3HG1 VAL 26 9.902 12.304 -11.312 213 HG21 VAL 26 3HG2 VAL 26 8.448 14.017 -7.784 214 HG22 VAL 26 1HG2 VAL 26 7.423 13.256 -9.002 215 HG23 VAL 26 2HG2 VAL 26 8.571 12.283 -8.082 216 H LYS 27 H LYS 27 10.822 15.915 -10.883 217 HA LYS 27 HA LYS 27 12.810 14.606 -12.445 218 HB2 LYS 27 2HB LYS 27 12.592 16.385 -13.960 219 HB3 LYS 27 3HB LYS 27 10.995 16.235 -13.238 220 HG2 LYS 27 2HG LYS 27 11.517 18.096 -11.728 221 HG3 LYS 27 3HG LYS 27 13.099 18.258 -12.493 222 HD2 LYS 27 2HD LYS 27 11.703 18.457 -14.688 223 HD3 LYS 27 3HD LYS 27 10.386 18.875 -13.589 224 HE2 LYS 27 2HE LYS 27 12.577 20.376 -12.724 225 HE3 LYS 27 3HE LYS 27 12.616 20.473 -14.484 226 HZ1 LYS 27 3HZ LYS 27 11.281 22.245 -13.546 227 HZ2 LYS 27 1HZ LYS 27 10.285 21.124 -12.762 228 HZ3 LYS 27 2HZ LYS 27 10.306 21.200 -14.451 229 H ALA 28 H ALA 28 12.853 17.214 -10.088 230 HA ALA 28 HA ALA 28 15.428 18.194 -10.524 231 HB1 ALA 28 1HB ALA 28 15.280 19.208 -8.400 232 HB2 ALA 28 2HB ALA 28 13.629 19.153 -9.021 233 HB3 ALA 28 3HB ALA 28 14.154 17.985 -7.809 234 H LYS 29 H LYS 29 14.318 15.371 -8.757 235 HA LYS 29 HA LYS 29 16.773 14.799 -7.456 236 HB2 LYS 29 2HB LYS 29 14.545 13.891 -6.779 237 HB3 LYS 29 3HB LYS 29 14.576 12.863 -8.205 238 HG2 LYS 29 2HG LYS 29 16.644 11.810 -7.352 239 HG3 LYS 29 3HG LYS 29 16.496 12.783 -5.887 240 HD2 LYS 29 2HD LYS 29 15.433 10.904 -5.166 241 HD3 LYS 29 3HD LYS 29 14.055 11.724 -5.904 242 HE2 LYS 29 2HE LYS 29 13.779 9.808 -7.034 243 HE3 LYS 29 3HE LYS 29 15.112 10.386 -8.032 244 HZ1 LYS 29 3HZ LYS 29 15.534 8.740 -5.606 245 HZ2 LYS 29 1HZ LYS 29 16.641 9.080 -6.839 246 HZ3 LYS 29 2HZ LYS 29 15.325 8.061 -7.141 247 H ILE 30 H ILE 30 15.466 14.039 -10.607 248 HA ILE 30 HA ILE 30 17.292 11.991 -11.296 249 HB ILE 30 HB ILE 30 15.967 13.885 -13.233 250 HG12 ILE 30 2HG1 ILE 30 14.241 13.057 -11.754 251 HG13 ILE 30 3HG1 ILE 30 14.115 12.217 -13.296 252 HG21 ILE 30 1HG2 ILE 30 16.659 10.979 -13.586 253 HG22 ILE 30 2HG2 ILE 30 16.187 12.144 -14.823 254 HG23 ILE 30 3HG2 ILE 30 17.753 12.290 -14.025 255 HD11 ILE 30 3HD1 ILE 30 15.772 10.589 -11.828 256 HD12 ILE 30 1HD1 ILE 30 14.609 11.172 -10.637 257 HD13 ILE 30 2HD1 ILE 30 14.045 10.353 -12.094 258 H GLN 31 H GLN 31 17.362 15.500 -11.665 259 HA GLN 31 HA GLN 31 19.690 15.621 -13.263 260 HB2 GLN 31 2HB GLN 31 18.000 17.511 -11.782 261 HB3 GLN 31 3HB GLN 31 19.687 17.996 -11.893 262 HG2 GLN 31 2HG GLN 31 19.165 17.236 -14.453 263 HG3 GLN 31 3HG GLN 31 17.614 17.905 -13.949 264 HE21 GLN 31 1HE2 GLN 31 19.025 19.103 -15.938 265 HE22 GLN 31 2HE2 GLN 31 19.649 20.619 -15.394 266 H ASP 32 H ASP 32 19.163 15.374 -9.822 267 HA ASP 32 HA ASP 32 21.861 16.030 -9.094 268 HB2 ASP 32 2HB ASP 32 19.375 15.404 -7.724 269 HB3 ASP 32 3HB ASP 32 20.749 14.590 -6.981 270 H LYS 33 H LYS 33 20.433 13.342 -10.483 271 HA LYS 33 HA LYS 33 22.483 11.526 -9.404 272 HB2 LYS 33 2HB LYS 33 19.900 11.025 -9.356 273 HB3 LYS 33 3HB LYS 33 20.163 10.568 -11.034 274 HG2 LYS 33 2HG LYS 33 21.836 8.937 -10.334 275 HG3 LYS 33 3HG LYS 33 21.587 9.401 -8.649 276 HD2 LYS 33 2HD LYS 33 20.168 7.631 -8.706 277 HD3 LYS 33 3HD LYS 33 19.055 8.856 -9.319 278 HE2 LYS 33 2HE LYS 33 18.853 7.767 -11.245 279 HE3 LYS 33 3HE LYS 33 20.600 7.792 -11.483 280 HZ1 LYS 33 3HZ LYS 33 18.907 5.641 -10.634 281 HZ2 LYS 33 1HZ LYS 33 20.231 5.863 -9.604 282 HZ3 LYS 33 2HZ LYS 33 20.480 5.595 -11.255 283 H GLU 34 H GLU 34 21.063 12.813 -12.353 284 HA GLU 34 HA GLU 34 23.373 11.750 -13.839 285 HB2 GLU 34 2HB GLU 34 20.943 10.770 -14.260 286 HB3 GLU 34 3HB GLU 34 20.790 12.211 -15.256 287 HG2 GLU 34 2HG GLU 34 21.485 10.297 -16.576 288 HG3 GLU 34 3HG GLU 34 22.733 11.541 -16.554 289 H GLY 35 H GLY 35 21.017 14.328 -13.442 290 HA2 GLY 35 2HA GLY 35 21.383 16.609 -13.741 291 HA3 GLY 35 3HA GLY 35 22.933 16.238 -14.481 292 H ILE 36 H ILE 36 20.055 14.647 -15.590 293 HA ILE 36 HA ILE 36 20.441 15.625 -18.246 294 HB ILE 36 HB ILE 36 18.273 14.410 -18.711 295 HG12 ILE 36 2HG1 ILE 36 18.445 12.950 -16.170 296 HG13 ILE 36 3HG1 ILE 36 17.906 14.617 -15.994 297 HG21 ILE 36 1HG2 ILE 36 19.303 12.289 -18.716 298 HG22 ILE 36 2HG2 ILE 36 20.615 13.456 -18.874 299 HG23 ILE 36 3HG2 ILE 36 20.303 12.685 -17.319 300 HD11 ILE 36 3HD1 ILE 36 16.596 12.330 -17.361 301 HD12 ILE 36 1HD1 ILE 36 15.913 13.551 -16.287 302 HD13 ILE 36 2HD1 ILE 36 16.298 13.962 -17.958 303 HA PRO 37 HA PRO 37 18.023 19.317 -17.894 304 HB2 PRO 37 2HB PRO 37 17.854 19.861 -20.548 305 HB3 PRO 37 3HB PRO 37 19.322 20.134 -19.603 306 HG2 PRO 37 2HG PRO 37 18.626 17.845 -21.403 307 HG3 PRO 37 3HG PRO 37 20.158 18.726 -21.254 308 HD2 PRO 37 2HD PRO 37 19.744 16.315 -20.091 309 HD3 PRO 37 3HD PRO 37 20.794 17.554 -19.373 310 HA PRO 38 HA PRO 38 14.041 17.270 -18.519 311 HB2 PRO 38 2HB PRO 38 12.662 18.985 -16.929 312 HB3 PRO 38 3HB PRO 38 13.622 17.645 -16.291 313 HG2 PRO 38 2HG PRO 38 14.329 20.545 -16.511 314 HG3 PRO 38 3HG PRO 38 14.611 19.424 -15.167 315 HD2 PRO 38 2HD PRO 38 16.550 20.097 -16.933 316 HD3 PRO 38 3HD PRO 38 16.473 18.499 -16.163 317 H ASP 39 H ASP 39 15.281 20.118 -19.656 318 HA ASP 39 HA ASP 39 12.933 21.495 -20.469 319 HB2 ASP 39 2HB ASP 39 15.839 21.665 -21.087 320 HB3 ASP 39 3HB ASP 39 14.725 22.399 -22.237 321 H GLN 40 H GLN 40 14.477 18.680 -21.599 322 HA GLN 40 HA GLN 40 12.993 18.831 -24.140 323 HB2 GLN 40 2HB GLN 40 15.703 18.360 -23.745 324 HB3 GLN 40 3HB GLN 40 15.032 16.759 -24.025 325 HG2 GLN 40 2HG GLN 40 15.699 17.578 -26.127 326 HG3 GLN 40 3HG GLN 40 13.940 17.695 -26.085 327 HE21 GLN 40 1HE2 GLN 40 16.493 19.220 -27.212 328 HE22 GLN 40 2HE2 GLN 40 15.991 20.868 -27.082 329 H GLN 41 H GLN 41 12.609 17.666 -21.199 330 HA GLN 41 HA GLN 41 11.707 14.996 -22.018 331 HB2 GLN 41 2HB GLN 41 12.996 15.972 -19.688 332 HB3 GLN 41 3HB GLN 41 11.385 15.452 -19.211 333 HG2 GLN 41 2HG GLN 41 11.837 13.274 -20.340 334 HG3 GLN 41 3HG GLN 41 13.498 13.811 -20.582 335 HE21 GLN 41 1HE2 GLN 41 11.257 14.079 -17.848 336 HE22 GLN 41 2HE2 GLN 41 12.296 13.315 -16.699 337 H ARG 42 H ARG 42 9.609 14.538 -22.207 338 HA ARG 42 HA ARG 42 7.660 16.411 -21.037 339 HB2 ARG 42 2HB ARG 42 7.461 15.041 -23.726 340 HB3 ARG 42 3HB ARG 42 6.235 16.078 -23.009 341 HG2 ARG 42 2HG ARG 42 7.315 17.966 -23.569 342 HG3 ARG 42 3HG ARG 42 8.907 17.276 -23.248 343 HD2 ARG 42 2HD ARG 42 8.674 15.967 -25.366 344 HD3 ARG 42 3HD ARG 42 7.198 16.874 -25.696 345 HE ARG 42 HE ARG 42 9.881 17.778 -26.048 346 HH11 ARG 42 1HH1 ARG 42 6.647 18.814 -25.283 347 HH12 ARG 42 2HH1 ARG 42 6.891 20.432 -25.854 348 HH21 ARG 42 1HH2 ARG 42 10.214 19.904 -26.803 349 HH22 ARG 42 2HH2 ARG 42 8.920 21.051 -26.719 350 H LEU 43 H LEU 43 6.369 15.454 -19.623 351 HA LEU 43 HA LEU 43 6.082 12.541 -19.696 352 HB2 LEU 43 2HB LEU 43 5.386 14.544 -17.554 353 HB3 LEU 43 3HB LEU 43 5.172 12.800 -17.416 354 HG LEU 43 HG LEU 43 7.843 14.146 -17.800 355 HD11 LEU 43 1HD1 LEU 43 6.398 13.305 -15.302 356 HD12 LEU 43 2HD1 LEU 43 7.082 14.883 -15.693 357 HD13 LEU 43 3HD1 LEU 43 8.148 13.515 -15.371 358 HD21 LEU 43 3HD2 LEU 43 8.325 12.024 -18.395 359 HD22 LEU 43 1HD2 LEU 43 6.900 11.360 -17.595 360 HD23 LEU 43 2HD2 LEU 43 8.334 11.763 -16.650 361 H ILE 44 H ILE 44 4.186 11.534 -20.070 362 HA ILE 44 HA ILE 44 1.747 13.165 -20.238 363 HB ILE 44 HB ILE 44 1.135 11.610 -22.225 364 HG12 ILE 44 2HG1 ILE 44 4.109 11.635 -22.661 365 HG13 ILE 44 3HG1 ILE 44 3.338 10.303 -21.806 366 HG21 ILE 44 1HG2 ILE 44 1.841 14.162 -22.088 367 HG22 ILE 44 2HG2 ILE 44 3.210 13.572 -23.028 368 HG23 ILE 44 3HG2 ILE 44 1.568 13.350 -23.629 369 HD11 ILE 44 3HD1 ILE 44 2.087 11.018 -24.358 370 HD12 ILE 44 1HD1 ILE 44 3.733 10.396 -24.476 371 HD13 ILE 44 2HD1 ILE 44 2.483 9.437 -23.683 372 H PHE 45 H PHE 45 -0.077 12.215 -19.483 373 HA PHE 45 HA PHE 45 -0.263 9.363 -19.115 374 HB2 PHE 45 2HB PHE 45 1.024 9.946 -17.131 375 HB3 PHE 45 3HB PHE 45 -0.143 11.196 -16.712 376 HD1 PHE 45 HD1 PHE 45 -0.637 7.680 -17.832 377 HD2 PHE 45 HD2 PHE 45 -1.133 10.554 -14.732 378 HE1 PHE 45 HE1 PHE 45 -1.917 6.039 -16.520 379 HE2 PHE 45 HE2 PHE 45 -2.412 8.917 -13.414 380 HZ PHE 45 HZ PHE 45 -2.805 6.656 -14.307 381 H ALA 46 H ALA 46 -2.343 8.685 -19.086 382 HA ALA 46 HA ALA 46 -4.620 8.737 -19.156 383 HB1 ALA 46 1HB ALA 46 -5.507 11.082 -18.076 384 HB2 ALA 46 2HB ALA 46 -5.160 9.611 -17.167 385 HB3 ALA 46 3HB ALA 46 -3.942 10.881 -17.286 386 H GLY 47 H GLY 47 -2.741 10.294 -21.073 387 HA2 GLY 47 2HA GLY 47 -3.160 11.176 -23.177 388 HA3 GLY 47 3HA GLY 47 -4.872 11.222 -22.781 389 H LYS 48 H LYS 48 -3.388 12.673 -20.260 390 HA LYS 48 HA LYS 48 -3.666 15.339 -21.482 391 HB2 LYS 48 2HB LYS 48 -5.374 14.877 -19.789 392 HB3 LYS 48 3HB LYS 48 -4.121 14.500 -18.613 393 HG2 LYS 48 2HG LYS 48 -4.837 16.680 -18.117 394 HG3 LYS 48 3HG LYS 48 -3.285 16.862 -18.937 395 HD2 LYS 48 2HD LYS 48 -4.851 18.494 -19.792 396 HD3 LYS 48 3HD LYS 48 -4.492 17.306 -21.048 397 HE2 LYS 48 2HE LYS 48 -6.909 17.926 -20.848 398 HE3 LYS 48 3HE LYS 48 -6.575 16.201 -20.703 399 HZ1 LYS 48 3HZ LYS 48 -6.702 17.831 -18.265 400 HZ2 LYS 48 1HZ LYS 48 -7.076 16.195 -18.486 401 HZ3 LYS 48 2HZ LYS 48 -8.148 17.388 -19.023 402 H GLN 49 H GLN 49 -2.049 16.801 -21.262 403 HA GLN 49 HA GLN 49 0.516 15.831 -20.411 404 HB2 GLN 49 2HB GLN 49 1.377 17.951 -21.204 405 HB3 GLN 49 3HB GLN 49 0.242 17.302 -22.381 406 HG2 GLN 49 2HG GLN 49 -1.504 18.793 -21.360 407 HG3 GLN 49 3HG GLN 49 -0.204 19.550 -20.440 408 HE21 GLN 49 1HE2 GLN 49 0.913 21.139 -21.357 409 HE22 GLN 49 2HE2 GLN 49 0.818 21.598 -23.020 410 H LEU 50 H LEU 50 1.485 16.113 -18.507 411 HA LEU 50 HA LEU 50 0.080 17.591 -16.435 412 HB2 LEU 50 2HB LEU 50 1.870 16.611 -14.962 413 HB3 LEU 50 3HB LEU 50 0.799 15.456 -15.754 414 HG LEU 50 HG LEU 50 3.287 16.012 -17.212 415 HD11 LEU 50 1HD1 LEU 50 3.387 14.545 -14.581 416 HD12 LEU 50 2HD1 LEU 50 4.104 16.125 -14.898 417 HD13 LEU 50 3HD1 LEU 50 4.700 14.700 -15.749 418 HD21 LEU 50 3HD2 LEU 50 1.689 14.288 -17.878 419 HD22 LEU 50 1HD2 LEU 50 1.905 13.481 -16.324 420 HD23 LEU 50 2HD2 LEU 50 3.252 13.584 -17.459 421 H GLU 51 H GLU 51 0.756 19.446 -15.506 422 HA GLU 51 HA GLU 51 2.949 20.853 -16.795 423 HB2 GLU 51 2HB GLU 51 0.575 21.599 -15.215 424 HB3 GLU 51 3HB GLU 51 1.999 22.588 -14.922 425 HG2 GLU 51 2HG GLU 51 2.086 22.689 -17.537 426 HG3 GLU 51 3HG GLU 51 0.376 22.284 -17.396 427 H ASP 52 H ASP 52 4.759 21.654 -15.753 428 HA ASP 52 HA ASP 52 5.860 20.078 -13.707 429 HB2 ASP 52 2HB ASP 52 7.576 21.983 -13.587 430 HB3 ASP 52 3HB ASP 52 7.399 21.151 -15.129 431 H GLY 53 H GLY 53 3.822 22.858 -13.604 432 HA2 GLY 53 2HA GLY 53 4.489 23.475 -10.836 433 HA3 GLY 53 3HA GLY 53 3.337 24.334 -11.847 434 H ARG 54 H ARG 54 2.872 21.015 -12.054 435 HA ARG 54 HA ARG 54 0.587 21.202 -10.218 436 HB2 ARG 54 2HB ARG 54 1.131 19.497 -12.638 437 HB3 ARG 54 3HB ARG 54 -0.144 19.094 -11.496 438 HG2 ARG 54 2HG ARG 54 0.055 21.729 -12.935 439 HG3 ARG 54 3HG ARG 54 -0.909 20.360 -13.493 440 HD2 ARG 54 2HD ARG 54 -2.573 20.956 -12.151 441 HD3 ARG 54 3HD ARG 54 -1.508 20.839 -10.751 442 HE ARG 54 HE ARG 54 -1.471 23.113 -10.683 443 HH11 ARG 54 1HH1 ARG 54 -2.297 22.125 -13.917 444 HH12 ARG 54 2HH1 ARG 54 -2.554 23.741 -14.486 445 HH21 ARG 54 1HH2 ARG 54 -1.807 25.245 -11.419 446 HH22 ARG 54 2HH2 ARG 54 -2.274 25.516 -13.064 447 H THR 55 H THR 55 0.128 19.515 -8.763 448 HA THR 55 HA THR 55 2.499 17.965 -7.985 449 HB THR 55 HB THR 55 1.716 19.388 -6.209 450 HG1 THR 55 HG1 THR 55 1.471 17.810 -4.645 451 HG21 THR 55 3HG2 THR 55 -0.441 19.962 -6.166 452 HG22 THR 55 1HG2 THR 55 -0.769 18.386 -5.446 453 HG23 THR 55 2HG2 THR 55 -0.889 18.600 -7.192 454 H LEU 56 H LEU 56 2.111 15.795 -7.069 455 HA LEU 56 HA LEU 56 0.727 14.148 -8.867 456 HB2 LEU 56 2HB LEU 56 1.650 13.524 -6.066 457 HB3 LEU 56 3HB LEU 56 1.193 12.336 -7.285 458 HG LEU 56 HG LEU 56 3.603 14.146 -7.300 459 HD11 LEU 56 1HD1 LEU 56 3.468 11.145 -7.421 460 HD12 LEU 56 2HD1 LEU 56 3.599 12.039 -5.907 461 HD13 LEU 56 3HD1 LEU 56 4.874 12.165 -7.118 462 HD21 LEU 56 3HD2 LEU 56 3.191 14.145 -9.538 463 HD22 LEU 56 1HD2 LEU 56 2.267 12.644 -9.482 464 HD23 LEU 56 2HD2 LEU 56 4.028 12.597 -9.413 465 H SER 57 H SER 57 -0.088 15.137 -5.551 466 HA SER 57 HA SER 57 -2.418 13.704 -5.197 467 HB2 SER 57 2HB SER 57 -2.535 14.881 -3.285 468 HB3 SER 57 3HB SER 57 -1.087 15.732 -3.825 469 HG SER 57 HG SER 57 -2.378 17.335 -4.688 470 H ASP 58 H ASP 58 -1.993 16.845 -6.778 471 HA ASP 58 HA ASP 58 -4.714 17.355 -7.278 472 HB2 ASP 58 2HB ASP 58 -2.960 19.078 -7.445 473 HB3 ASP 58 3HB ASP 58 -2.302 18.266 -8.863 474 H TYR 59 H TYR 59 -2.374 15.355 -8.897 475 HA TYR 59 HA TYR 59 -3.904 15.060 -11.313 476 HB2 TYR 59 2HB TYR 59 -1.278 14.574 -10.604 477 HB3 TYR 59 3HB TYR 59 -1.951 12.955 -10.758 478 HD1 TYR 59 HD2 TYR 59 -1.426 16.148 -12.558 479 HD2 TYR 59 HD1 TYR 59 -2.395 12.018 -12.883 480 HE1 TYR 59 HE2 TYR 59 -1.193 16.292 -15.003 481 HE2 TYR 59 HE1 TYR 59 -2.164 12.150 -15.328 482 HH TYR 59 HH TYR 59 -1.024 13.557 -16.996 483 H ASN 60 H ASN 60 -4.140 13.799 -8.205 484 HA ASN 60 HA ASN 60 -5.366 12.133 -7.259 485 HB2 ASN 60 2HB ASN 60 -6.946 13.245 -9.207 486 HB3 ASN 60 3HB ASN 60 -6.984 11.537 -9.637 487 HD21 ASN 60 1HD2 ASN 60 -7.081 10.174 -7.425 488 HD22 ASN 60 2HD2 ASN 60 -8.421 10.620 -6.429 489 H ILE 61 H ILE 61 -2.944 11.404 -8.596 490 HA ILE 61 HA ILE 61 -3.414 8.946 -10.022 491 HB ILE 61 HB ILE 61 -0.902 8.693 -9.813 492 HG12 ILE 61 2HG1 ILE 61 -0.638 11.549 -9.140 493 HG13 ILE 61 3HG1 ILE 61 -1.145 10.524 -7.802 494 HG21 ILE 61 1HG2 ILE 61 -0.665 11.007 -11.205 495 HG22 ILE 61 2HG2 ILE 61 -1.307 9.505 -11.868 496 HG23 ILE 61 3HG2 ILE 61 -2.408 10.748 -11.272 497 HD11 ILE 61 3HD1 ILE 61 1.042 10.218 -7.499 498 HD12 ILE 61 1HD1 ILE 61 0.908 9.082 -8.840 499 HD13 ILE 61 2HD1 ILE 61 1.443 10.737 -9.136 500 H GLN 62 H GLN 62 -3.961 7.123 -9.041 501 HA GLN 62 HA GLN 62 -3.748 6.724 -6.243 502 HB2 GLN 62 2HB GLN 62 -5.059 5.476 -8.398 503 HB3 GLN 62 3HB GLN 62 -4.030 4.242 -7.682 504 HG2 GLN 62 2HG GLN 62 -5.114 4.348 -5.632 505 HG3 GLN 62 3HG GLN 62 -5.808 5.932 -5.972 506 HE21 GLN 62 1HE2 GLN 62 -7.621 6.082 -7.301 507 HE22 GLN 62 2HE2 GLN 62 -8.614 4.712 -7.650 508 H LYS 63 H LYS 63 -2.755 4.545 -5.446 509 HA LYS 63 HA LYS 63 0.067 4.767 -5.800 510 HB2 LYS 63 2HB LYS 63 0.231 2.987 -4.170 511 HB3 LYS 63 3HB LYS 63 -0.993 4.137 -3.650 512 HG2 LYS 63 2HG LYS 63 -2.380 2.241 -5.144 513 HG3 LYS 63 3HG LYS 63 -1.228 1.317 -4.177 514 HD2 LYS 63 2HD LYS 63 -2.370 3.345 -2.534 515 HD3 LYS 63 3HD LYS 63 -3.676 2.492 -3.360 516 HE2 LYS 63 2HE LYS 63 -1.580 0.745 -2.295 517 HE3 LYS 63 3HE LYS 63 -2.449 1.660 -1.065 518 HZ1 LYS 63 3HZ LYS 63 -3.410 -0.446 -2.837 519 HZ2 LYS 63 1HZ LYS 63 -4.489 0.812 -2.498 520 HZ3 LYS 63 2HZ LYS 63 -3.833 -0.102 -1.235 521 H GLU 64 H GLU 64 1.492 3.408 -6.822 522 HA GLU 64 HA GLU 64 2.265 1.798 -8.242 523 HB2 GLU 64 2HB GLU 64 -0.360 0.623 -7.438 524 HB3 GLU 64 3HB GLU 64 0.484 -0.072 -8.814 525 HG2 GLU 64 2HG GLU 64 2.231 -0.838 -7.534 526 HG3 GLU 64 3HG GLU 64 1.957 0.348 -6.259 527 H SER 65 H SER 65 0.842 4.223 -9.088 528 HA SER 65 HA SER 65 -0.747 3.659 -11.370 529 HB2 SER 65 2HB SER 65 -0.011 5.949 -9.928 530 HB3 SER 65 3HB SER 65 0.623 6.205 -11.554 531 HG SER 65 HG SER 65 -1.992 6.072 -10.667 532 H THR 66 H THR 66 -0.148 4.285 -13.603 533 HA THR 66 HA THR 66 2.658 3.588 -14.184 534 HB THR 66 HB THR 66 1.275 2.959 -16.489 535 HG1 THR 66 HG1 THR 66 -0.342 1.437 -15.403 536 HG21 THR 66 3HG2 THR 66 1.865 0.706 -16.008 537 HG22 THR 66 1HG2 THR 66 1.857 1.003 -14.270 538 HG23 THR 66 2HG2 THR 66 3.114 1.717 -15.281 539 H LEU 67 H LEU 67 3.752 5.192 -15.088 540 HA LEU 67 HA LEU 67 2.278 7.175 -16.694 541 HB2 LEU 67 2HB LEU 67 3.805 7.595 -14.443 542 HB3 LEU 67 3HB LEU 67 4.920 7.975 -15.754 543 HG LEU 67 HG LEU 67 2.195 9.213 -15.692 544 HD11 LEU 67 1HD1 LEU 67 3.817 9.442 -13.524 545 HD12 LEU 67 2HD1 LEU 67 2.663 10.666 -14.052 546 HD13 LEU 67 3HD1 LEU 67 4.360 10.797 -14.514 547 HD21 LEU 67 3HD2 LEU 67 4.881 9.945 -16.835 548 HD22 LEU 67 1HD2 LEU 67 3.519 11.064 -16.774 549 HD23 LEU 67 2HD2 LEU 67 3.393 9.571 -17.705 550 H HIS 68 H HIS 68 3.139 7.854 -18.648 551 HA HIS 68 HA HIS 68 4.938 5.966 -19.909 552 HB2 HIS 68 2HB HIS 68 3.680 8.409 -21.158 553 HB3 HIS 68 3HB HIS 68 4.317 6.988 -21.980 554 HD1 HIS 68 HD1 HIS 68 1.302 8.227 -22.002 555 HD2 HIS 68 HD2 HIS 68 2.635 4.767 -20.128 556 HE1 HIS 68 HE1 HIS 68 -0.738 6.782 -21.730 557 H LEU 69 H LEU 69 6.938 6.433 -20.786 558 HA LEU 69 HA LEU 69 8.104 9.026 -20.012 559 HB2 LEU 69 2HB LEU 69 8.828 6.516 -19.093 560 HB3 LEU 69 3HB LEU 69 10.027 6.876 -20.333 561 HG LEU 69 HG LEU 69 10.812 7.510 -18.111 562 HD11 LEU 69 1HD1 LEU 69 11.547 9.728 -18.637 563 HD12 LEU 69 2HD1 LEU 69 10.214 9.953 -19.769 564 HD13 LEU 69 3HD1 LEU 69 11.489 8.790 -20.130 565 HD21 LEU 69 3HD2 LEU 69 9.609 8.661 -16.614 566 HD22 LEU 69 1HD2 LEU 69 8.224 8.237 -17.620 567 HD23 LEU 69 2HD2 LEU 69 9.016 9.800 -17.823 568 H VAL 70 H VAL 70 9.217 10.131 -21.529 569 HA VAL 70 HA VAL 70 9.334 8.945 -24.214 570 HB VAL 70 HB VAL 70 9.592 11.277 -25.023 571 HG11 VAL 70 1HG1 VAL 70 7.152 11.215 -23.298 572 HG12 VAL 70 2HG1 VAL 70 7.329 11.741 -24.973 573 HG13 VAL 70 3HG1 VAL 70 7.356 10.022 -24.580 574 HG21 VAL 70 3HG2 VAL 70 9.058 12.030 -22.150 575 HG22 VAL 70 1HG2 VAL 70 10.602 12.208 -22.983 576 HG23 VAL 70 2HG2 VAL 70 9.201 13.140 -23.513 577 H LEU 71 H LEU 71 11.199 9.383 -25.555 578 HA LEU 71 HA LEU 71 13.669 9.677 -23.975 579 HB2 LEU 71 2HB LEU 71 14.717 8.070 -25.256 580 HB3 LEU 71 3HB LEU 71 13.082 7.431 -25.102 581 HG LEU 71 HG LEU 71 12.991 8.894 -27.447 582 HD11 LEU 71 1HD1 LEU 71 15.692 8.485 -26.936 583 HD12 LEU 71 2HD1 LEU 71 14.958 8.925 -28.477 584 HD13 LEU 71 3HD1 LEU 71 15.258 7.229 -28.096 585 HD21 LEU 71 3HD2 LEU 71 11.860 6.916 -27.509 586 HD22 LEU 71 1HD2 LEU 71 13.147 6.025 -26.695 587 HD23 LEU 71 2HD2 LEU 71 13.307 6.444 -28.401 588 H ARG 72 H ARG 72 15.527 10.571 -25.151 589 HA ARG 72 HA ARG 72 14.654 12.674 -27.011 590 HB2 ARG 72 2HB ARG 72 15.656 13.499 -24.943 591 HB3 ARG 72 3HB ARG 72 17.096 12.533 -25.234 592 HG2 ARG 72 2HG ARG 72 16.993 13.966 -27.521 593 HG3 ARG 72 3HG ARG 72 16.280 15.109 -26.381 594 HD2 ARG 72 2HD ARG 72 18.202 15.220 -25.093 595 HD3 ARG 72 3HD ARG 72 18.802 13.668 -25.676 596 HE ARG 72 HE ARG 72 19.752 14.739 -27.474 597 HH11 ARG 72 1HH1 ARG 72 17.578 16.908 -25.833 598 HH12 ARG 72 2HH1 ARG 72 18.091 18.303 -26.723 599 HH21 ARG 72 1HH2 ARG 72 20.435 16.569 -28.652 600 HH22 ARG 72 2HH2 ARG 72 19.715 18.109 -28.327 601 H LEU 73 H LEU 73 15.152 12.404 -29.076 602 HA LEU 73 HA LEU 73 17.172 10.465 -29.848 603 HB2 LEU 73 2HB LEU 73 14.778 10.970 -30.888 604 HB3 LEU 73 3HB LEU 73 15.723 12.098 -31.858 605 HG LEU 73 HG LEU 73 15.332 9.911 -32.958 606 HD11 LEU 73 1HD1 LEU 73 18.221 9.811 -32.626 607 HD12 LEU 73 2HD1 LEU 73 17.612 11.443 -32.898 608 HD13 LEU 73 3HD1 LEU 73 17.254 10.164 -34.058 609 HD21 LEU 73 3HD2 LEU 73 15.617 8.717 -30.647 610 HD22 LEU 73 1HD2 LEU 73 17.319 8.676 -31.109 611 HD23 LEU 73 2HD2 LEU 73 16.108 7.910 -32.138 612 H ARG 74 H ARG 74 19.045 10.911 -30.946 613 HA ARG 74 HA ARG 74 19.774 13.760 -31.146 614 HB2 ARG 74 2HB ARG 74 21.363 11.351 -30.320 615 HB3 ARG 74 3HB ARG 74 22.173 12.767 -30.978 616 HG2 ARG 74 2HG ARG 74 21.375 14.142 -29.201 617 HG3 ARG 74 3HG ARG 74 20.321 12.855 -28.610 618 HD2 ARG 74 2HD ARG 74 22.211 12.880 -27.185 619 HD3 ARG 74 3HD ARG 74 22.401 11.481 -28.241 620 HE ARG 74 HE ARG 74 24.004 13.910 -28.248 621 HH11 ARG 74 1HH1 ARG 74 23.204 10.885 -29.776 622 HH12 ARG 74 2HH1 ARG 74 24.677 10.806 -30.685 623 HH21 ARG 74 1HH2 ARG 74 25.946 13.816 -29.440 624 HH22 ARG 74 2HH2 ARG 74 26.236 12.473 -30.492 625 H GLY 75 H GLY 75 19.554 14.302 -33.234 626 HA2 GLY 75 2HA GLY 75 20.716 14.366 -35.355 627 HA3 GLY 75 3HA GLY 75 20.975 12.634 -35.208 628 H GLY 76 H GLY 76 19.139 14.990 -36.676 629 HA2 GLY 76 2HA GLY 76 17.636 13.333 -38.260 630 HA3 GLY 76 3HA GLY 76 16.636 13.601 -36.840 Start of MODEL 7 1 H1 GLY 0 H GLY 0 0.140 1.608 0.297 2 HA2 GLY 0 2HA GLY 0 0.622 2.244 -2.091 3 HA3 GLY 0 3HA GLY 0 -0.567 3.281 -1.317 4 H MET 1 H MET 1 2.992 3.025 -1.411 5 HA MET 1 HA MET 1 3.067 5.912 -1.992 6 HB2 MET 1 2HB MET 1 4.031 4.683 0.297 7 HB3 MET 1 3HB MET 1 5.466 4.873 -0.702 8 HG2 MET 1 2HG MET 1 5.238 7.206 -0.778 9 HG3 MET 1 3HG MET 1 3.581 7.144 -0.183 10 HE1 MET 1 3HE MET 1 7.438 7.116 2.241 11 HE2 MET 1 1HE MET 1 7.280 6.269 0.702 12 HE3 MET 1 2HE MET 1 7.099 8.022 0.766 13 H GLN 2 H GLN 2 3.678 2.900 -3.173 14 HA GLN 2 HA GLN 2 6.113 3.593 -4.613 15 HB2 GLN 2 2HB GLN 2 5.934 1.337 -3.709 16 HB3 GLN 2 3HB GLN 2 4.449 1.069 -4.613 17 HG2 GLN 2 2HG GLN 2 5.735 1.357 -6.711 18 HG3 GLN 2 3HG GLN 2 7.207 1.468 -5.747 19 HE21 GLN 2 1HE2 GLN 2 7.989 -0.365 -6.879 20 HE22 GLN 2 2HE2 GLN 2 7.460 -1.955 -6.458 21 H ILE 3 H ILE 3 6.254 3.870 -6.816 22 HA ILE 3 HA ILE 3 3.717 3.958 -8.306 23 HB ILE 3 HB ILE 3 4.601 6.248 -7.589 24 HG12 ILE 3 2HG1 ILE 3 4.314 5.833 -10.567 25 HG13 ILE 3 3HG1 ILE 3 2.957 5.763 -9.448 26 HG21 ILE 3 1HG2 ILE 3 6.534 5.847 -9.855 27 HG22 ILE 3 2HG2 ILE 3 6.443 7.190 -8.716 28 HG23 ILE 3 3HG2 ILE 3 6.987 5.605 -8.168 29 HD11 ILE 3 3HD1 ILE 3 4.577 8.097 -10.324 30 HD12 ILE 3 1HD1 ILE 3 2.828 7.923 -10.182 31 HD13 ILE 3 2HD1 ILE 3 3.815 8.123 -8.734 32 H PHE 4 H PHE 4 3.994 3.880 -10.662 33 HA PHE 4 HA PHE 4 6.493 2.565 -11.486 34 HB2 PHE 4 2HB PHE 4 4.116 1.221 -11.170 35 HB3 PHE 4 3HB PHE 4 4.091 1.625 -12.883 36 HD1 PHE 4 HD1 PHE 4 6.595 1.275 -13.964 37 HD2 PHE 4 HD2 PHE 4 4.891 -0.876 -10.711 38 HE1 PHE 4 HE1 PHE 4 8.097 -0.616 -14.433 39 HE2 PHE 4 HE2 PHE 4 6.391 -2.771 -11.174 40 HZ PHE 4 HZ PHE 4 7.997 -2.642 -13.036 41 H VAL 5 H VAL 5 7.323 3.221 -13.390 42 HA VAL 5 HA VAL 5 5.675 5.014 -15.054 43 HB VAL 5 HB VAL 5 8.626 5.289 -14.463 44 HG11 VAL 5 1HG1 VAL 5 8.259 7.491 -15.719 45 HG12 VAL 5 2HG1 VAL 5 8.366 6.010 -16.674 46 HG13 VAL 5 3HG1 VAL 5 6.793 6.738 -16.346 47 HG21 VAL 5 3HG2 VAL 5 6.389 7.179 -13.758 48 HG22 VAL 5 1HG2 VAL 5 7.032 5.971 -12.646 49 HG23 VAL 5 2HG2 VAL 5 8.074 7.261 -13.246 50 H LYS 6 H LYS 6 5.463 4.392 -17.096 51 HA LYS 6 HA LYS 6 7.203 2.265 -18.109 52 HB2 LYS 6 2HB LYS 6 4.434 3.184 -18.717 53 HB3 LYS 6 3HB LYS 6 5.351 2.429 -20.015 54 HG2 LYS 6 2HG LYS 6 5.317 1.026 -17.412 55 HG3 LYS 6 3HG LYS 6 3.812 1.053 -18.334 56 HD2 LYS 6 2HD LYS 6 6.431 0.258 -19.576 57 HD3 LYS 6 3HD LYS 6 5.400 -0.905 -18.740 58 HE2 LYS 6 2HE LYS 6 3.649 -0.618 -20.287 59 HE3 LYS 6 3HE LYS 6 4.362 0.854 -20.944 60 HZ1 LYS 6 3HZ LYS 6 5.478 -0.340 -22.418 61 HZ2 LYS 6 1HZ LYS 6 4.675 -1.730 -21.883 62 HZ3 LYS 6 2HZ LYS 6 6.168 -1.304 -21.211 63 H THR 7 H THR 7 8.284 2.417 -20.073 64 HA THR 7 HA THR 7 8.680 5.168 -21.036 65 HB THR 7 HB THR 7 10.765 3.964 -22.137 66 HG1 THR 7 HG1 THR 7 10.258 1.876 -21.399 67 HG21 THR 7 3HG2 THR 7 10.306 5.451 -19.755 68 HG22 THR 7 1HG2 THR 7 11.768 5.375 -20.737 69 HG23 THR 7 2HG2 THR 7 11.534 4.231 -19.415 70 H LEU 8 H LEU 8 9.550 5.107 -23.430 71 HA LEU 8 HA LEU 8 7.419 3.903 -24.992 72 HB2 LEU 8 2HB LEU 8 9.021 6.235 -25.179 73 HB3 LEU 8 3HB LEU 8 9.319 5.264 -26.619 74 HG LEU 8 HG LEU 8 6.503 5.818 -25.803 75 HD11 LEU 8 1HD1 LEU 8 7.450 8.005 -25.668 76 HD12 LEU 8 2HD1 LEU 8 6.587 7.881 -27.201 77 HD13 LEU 8 3HD1 LEU 8 8.347 7.768 -27.169 78 HD21 LEU 8 3HD2 LEU 8 7.585 5.872 -28.578 79 HD22 LEU 8 1HD2 LEU 8 6.007 5.346 -27.990 80 HD23 LEU 8 2HD2 LEU 8 7.423 4.321 -27.754 81 H THR 9 H THR 9 10.031 2.591 -23.825 82 HA THR 9 HA THR 9 10.781 1.207 -26.317 83 HB THR 9 HB THR 9 12.833 0.523 -24.799 84 HG1 THR 9 HG1 THR 9 11.959 1.698 -22.964 85 HG21 THR 9 3HG2 THR 9 13.669 3.044 -25.518 86 HG22 THR 9 1HG2 THR 9 12.313 2.756 -26.607 87 HG23 THR 9 2HG2 THR 9 13.666 1.625 -26.565 88 H GLY 10 H GLY 10 8.600 0.700 -24.249 89 HA2 GLY 10 2HA GLY 10 7.568 -1.173 -23.410 90 HA3 GLY 10 3HA GLY 10 8.748 -2.128 -24.295 91 H LYS 11 H LYS 11 10.185 0.116 -22.212 92 HA LYS 11 HA LYS 11 10.978 -2.035 -20.413 93 HB2 LYS 11 2HB LYS 11 12.120 0.515 -21.290 94 HB3 LYS 11 3HB LYS 11 12.297 0.229 -19.563 95 HG2 LYS 11 2HG LYS 11 13.366 -1.922 -20.033 96 HG3 LYS 11 3HG LYS 11 13.203 -1.617 -21.764 97 HD2 LYS 11 2HD LYS 11 15.083 -0.431 -21.764 98 HD3 LYS 11 3HD LYS 11 14.442 0.641 -20.517 99 HE2 LYS 11 2HE LYS 11 15.880 -0.213 -19.057 100 HE3 LYS 11 3HE LYS 11 15.144 -1.801 -19.268 101 HZ1 LYS 11 3HZ LYS 11 17.613 -1.602 -19.726 102 HZ2 LYS 11 1HZ LYS 11 17.190 -0.772 -21.139 103 HZ3 LYS 11 2HZ LYS 11 16.683 -2.370 -20.912 104 H THR 12 H THR 12 10.356 -2.212 -18.341 105 HA THR 12 HA THR 12 8.441 -0.232 -17.337 106 HB THR 12 HB THR 12 8.508 -2.366 -15.534 107 HG1 THR 12 HG1 THR 12 9.320 -3.930 -16.729 108 HG21 THR 12 3HG2 THR 12 6.300 -2.266 -15.891 109 HG22 THR 12 1HG2 THR 12 6.480 -2.630 -17.607 110 HG23 THR 12 2HG2 THR 12 6.653 -0.971 -17.034 111 H ILE 13 H ILE 13 9.225 1.273 -16.026 112 HA ILE 13 HA ILE 13 11.473 0.572 -14.255 113 HB ILE 13 HB ILE 13 10.666 3.346 -15.124 114 HG12 ILE 13 2HG1 ILE 13 11.421 1.990 -17.048 115 HG13 ILE 13 3HG1 ILE 13 12.557 3.279 -16.664 116 HG21 ILE 13 1HG2 ILE 13 13.024 2.241 -13.620 117 HG22 ILE 13 2HG2 ILE 13 13.016 3.848 -14.344 118 HG23 ILE 13 3HG2 ILE 13 11.853 3.445 -13.081 119 HD11 ILE 13 3HD1 ILE 13 13.786 1.302 -17.172 120 HD12 ILE 13 1HD1 ILE 13 13.933 1.614 -15.442 121 HD13 ILE 13 2HD1 ILE 13 12.840 0.357 -16.022 122 H THR 14 H THR 14 11.220 0.718 -12.110 123 HA THR 14 HA THR 14 8.718 1.911 -11.105 124 HB THR 14 HB THR 14 8.685 -0.483 -10.760 125 HG1 THR 14 HG1 THR 14 9.377 0.597 -8.234 126 HG21 THR 14 3HG2 THR 14 10.572 -1.623 -10.451 127 HG22 THR 14 1HG2 THR 14 10.735 -0.893 -8.854 128 HG23 THR 14 2HG2 THR 14 11.475 -0.120 -10.257 129 H LEU 15 H LEU 15 8.810 3.329 -9.430 130 HA LEU 15 HA LEU 15 11.365 3.746 -8.066 131 HB2 LEU 15 2HB LEU 15 10.593 5.361 -10.142 132 HB3 LEU 15 3HB LEU 15 9.994 6.239 -8.736 133 HG LEU 15 HG LEU 15 12.284 6.217 -7.796 134 HD11 LEU 15 1HD1 LEU 15 12.779 4.619 -10.243 135 HD12 LEU 15 2HD1 LEU 15 13.496 4.490 -8.637 136 HD13 LEU 15 3HD1 LEU 15 14.030 5.757 -9.741 137 HD21 LEU 15 3HD2 LEU 15 12.126 8.242 -8.738 138 HD22 LEU 15 1HD2 LEU 15 11.429 7.601 -10.227 139 HD23 LEU 15 2HD2 LEU 15 13.177 7.578 -9.990 140 H GLU 16 H GLU 16 11.056 5.444 -6.266 141 HA GLU 16 HA GLU 16 8.429 5.000 -5.005 142 HB2 GLU 16 2HB GLU 16 9.736 5.247 -2.821 143 HB3 GLU 16 3HB GLU 16 9.947 3.749 -3.718 144 HG2 GLU 16 2HG GLU 16 12.051 4.554 -4.616 145 HG3 GLU 16 3HG GLU 16 11.835 6.092 -3.783 146 H VAL 17 H VAL 17 7.335 6.738 -4.317 147 HA VAL 17 HA VAL 17 8.688 9.241 -3.762 148 HB VAL 17 HB VAL 17 7.020 10.459 -5.300 149 HG11 VAL 17 1HG1 VAL 17 9.548 10.156 -5.570 150 HG12 VAL 17 2HG1 VAL 17 9.141 8.927 -6.771 151 HG13 VAL 17 3HG1 VAL 17 8.618 10.596 -7.002 152 HG21 VAL 17 3HG2 VAL 17 5.996 8.023 -5.754 153 HG22 VAL 17 1HG2 VAL 17 5.892 9.345 -6.917 154 HG23 VAL 17 2HG2 VAL 17 7.140 8.111 -7.093 155 H GLU 18 H GLU 18 6.780 10.986 -3.437 156 HA GLU 18 HA GLU 18 4.727 9.664 -1.787 157 HB2 GLU 18 2HB GLU 18 6.648 11.788 -1.128 158 HB3 GLU 18 3HB GLU 18 4.991 12.146 -0.659 159 HG2 GLU 18 2HG GLU 18 5.018 9.796 0.397 160 HG3 GLU 18 3HG GLU 18 6.770 9.928 0.261 161 HA PRO 19 HA PRO 19 1.600 11.961 -3.832 162 HB2 PRO 19 2HB PRO 19 -0.037 12.726 -1.806 163 HB3 PRO 19 3HB PRO 19 0.082 11.053 -2.366 164 HG2 PRO 19 2HG PRO 19 1.383 12.358 -0.006 165 HG3 PRO 19 3HG PRO 19 0.608 10.767 -0.119 166 HD2 PRO 19 2HD PRO 19 3.295 11.087 -0.204 167 HD3 PRO 19 3HD PRO 19 2.459 9.794 -1.087 168 H SER 20 H SER 20 3.148 13.570 -1.113 169 HA SER 20 HA SER 20 2.230 16.189 -1.942 170 HB2 SER 20 2HB SER 20 3.390 15.037 0.438 171 HB3 SER 20 3HB SER 20 4.280 16.483 -0.036 172 HG SER 20 HG SER 20 2.682 17.407 1.009 173 H ASP 21 H ASP 21 4.402 14.188 -3.215 174 HA ASP 21 HA ASP 21 6.636 15.991 -3.532 175 HB2 ASP 21 2HB ASP 21 6.554 13.336 -3.541 176 HB3 ASP 21 3HB ASP 21 6.300 13.587 -5.266 177 H THR 22 H THR 22 7.188 17.148 -5.339 178 HA THR 22 HA THR 22 5.048 17.486 -7.324 179 HB THR 22 HB THR 22 7.360 19.378 -6.978 180 HG1 THR 22 HG1 THR 22 4.954 19.974 -5.710 181 HG21 THR 22 3HG2 THR 22 5.467 20.975 -7.692 182 HG22 THR 22 1HG2 THR 22 4.603 19.511 -8.159 183 HG23 THR 22 2HG2 THR 22 6.152 19.899 -8.910 184 H ILE 23 H ILE 23 5.590 17.725 -9.556 185 HA ILE 23 HA ILE 23 7.409 15.813 -10.513 186 HB ILE 23 HB ILE 23 6.112 18.119 -11.967 187 HG12 ILE 23 2HG1 ILE 23 4.655 16.318 -10.902 188 HG13 ILE 23 3HG1 ILE 23 4.432 16.583 -12.627 189 HG21 ILE 23 1HG2 ILE 23 7.595 15.727 -13.043 190 HG22 ILE 23 2HG2 ILE 23 6.617 16.823 -14.018 191 HG23 ILE 23 3HG2 ILE 23 8.059 17.421 -13.197 192 HD11 ILE 23 3HD1 ILE 23 5.430 14.582 -13.194 193 HD12 ILE 23 1HD1 ILE 23 6.296 14.462 -11.663 194 HD13 ILE 23 2HD1 ILE 23 4.557 14.174 -11.717 195 H GLU 24 H GLU 24 7.611 19.362 -10.431 196 HA GLU 24 HA GLU 24 10.062 19.664 -11.706 197 HB2 GLU 24 2HB GLU 24 8.433 21.481 -11.008 198 HB3 GLU 24 3HB GLU 24 9.128 21.366 -9.397 199 HG2 GLU 24 2HG GLU 24 11.379 21.705 -10.739 200 HG3 GLU 24 3HG GLU 24 10.286 22.468 -11.893 201 H ASN 25 H ASN 25 9.325 18.796 -8.390 202 HA ASN 25 HA ASN 25 12.011 19.071 -7.439 203 HB2 ASN 25 2HB ASN 25 9.462 18.600 -6.297 204 HB3 ASN 25 3HB ASN 25 10.485 17.243 -5.837 205 HD21 ASN 25 1HD2 ASN 25 10.130 18.170 -3.685 206 HD22 ASN 25 2HD2 ASN 25 11.192 19.421 -3.143 207 H VAL 26 H VAL 26 10.115 16.514 -8.873 208 HA VAL 26 HA VAL 26 11.865 14.375 -8.172 209 HB VAL 26 HB VAL 26 9.871 14.509 -10.438 210 HG11 VAL 26 1HG1 VAL 26 11.645 12.406 -9.402 211 HG12 VAL 26 2HG1 VAL 26 9.970 11.917 -9.665 212 HG13 VAL 26 3HG1 VAL 26 10.912 12.593 -10.995 213 HG21 VAL 26 3HG2 VAL 26 8.930 12.938 -8.288 214 HG22 VAL 26 1HG2 VAL 26 9.479 14.472 -7.612 215 HG23 VAL 26 2HG2 VAL 26 8.272 14.457 -8.898 216 H LYS 27 H LYS 27 11.660 16.624 -10.850 217 HA LYS 27 HA LYS 27 13.410 15.277 -12.614 218 HB2 LYS 27 2HB LYS 27 12.504 16.887 -13.883 219 HB3 LYS 27 3HB LYS 27 12.072 17.852 -12.478 220 HG2 LYS 27 2HG LYS 27 14.925 17.832 -13.246 221 HG3 LYS 27 3HG LYS 27 13.809 18.666 -14.330 222 HD2 LYS 27 2HD LYS 27 12.941 19.667 -12.021 223 HD3 LYS 27 3HD LYS 27 14.603 19.313 -11.543 224 HE2 LYS 27 2HE LYS 27 14.979 20.503 -13.958 225 HE3 LYS 27 3HE LYS 27 13.551 21.354 -13.374 226 HZ1 LYS 27 3HZ LYS 27 16.231 21.700 -12.603 227 HZ2 LYS 27 1HZ LYS 27 15.348 21.184 -11.255 228 HZ3 LYS 27 2HZ LYS 27 14.869 22.569 -12.100 229 H ALA 28 H ALA 28 13.933 17.611 -10.029 230 HA ALA 28 HA ALA 28 16.626 18.201 -10.532 231 HB1 ALA 28 1HB ALA 28 15.627 18.047 -7.729 232 HB2 ALA 28 2HB ALA 28 16.637 19.270 -8.502 233 HB3 ALA 28 3HB ALA 28 14.906 19.217 -8.834 234 H LYS 29 H LYS 29 15.106 15.512 -8.864 235 HA LYS 29 HA LYS 29 17.480 14.471 -7.699 236 HB2 LYS 29 2HB LYS 29 15.267 13.889 -6.841 237 HB3 LYS 29 3HB LYS 29 14.865 13.106 -8.364 238 HG2 LYS 29 2HG LYS 29 15.619 11.210 -7.510 239 HG3 LYS 29 3HG LYS 29 17.241 11.906 -7.517 240 HD2 LYS 29 2HD LYS 29 16.421 12.994 -5.263 241 HD3 LYS 29 3HD LYS 29 15.293 11.636 -5.277 242 HE2 LYS 29 2HE LYS 29 17.156 10.076 -5.452 243 HE3 LYS 29 3HE LYS 29 18.295 11.421 -5.492 244 HZ1 LYS 29 3HZ LYS 29 18.379 11.208 -3.295 245 HZ2 LYS 29 1HZ LYS 29 17.039 10.175 -3.249 246 HZ3 LYS 29 2HZ LYS 29 16.815 11.851 -3.238 247 H ILE 30 H ILE 30 15.847 13.992 -10.771 248 HA ILE 30 HA ILE 30 17.314 11.733 -11.622 249 HB ILE 30 HB ILE 30 15.196 13.142 -12.639 250 HG12 ILE 30 2HG1 ILE 30 16.026 11.554 -14.759 251 HG13 ILE 30 3HG1 ILE 30 16.801 10.816 -13.361 252 HG21 ILE 30 1HG2 ILE 30 16.742 14.809 -13.595 253 HG22 ILE 30 2HG2 ILE 30 17.499 13.531 -14.544 254 HG23 ILE 30 3HG2 ILE 30 15.812 13.959 -14.829 255 HD11 ILE 30 3HD1 ILE 30 14.184 11.326 -12.559 256 HD12 ILE 30 1HD1 ILE 30 14.059 10.710 -14.206 257 HD13 ILE 30 2HD1 ILE 30 14.895 9.766 -12.973 258 H GLN 31 H GLN 31 17.892 15.195 -11.866 259 HA GLN 31 HA GLN 31 20.090 15.017 -13.656 260 HB2 GLN 31 2HB GLN 31 19.269 17.151 -13.658 261 HB3 GLN 31 3HB GLN 31 18.885 17.120 -11.942 262 HG2 GLN 31 2HG GLN 31 21.111 17.583 -11.331 263 HG3 GLN 31 3HG GLN 31 21.704 17.253 -12.958 264 HE21 GLN 31 1HE2 GLN 31 19.912 19.498 -10.965 265 HE22 GLN 31 2HE2 GLN 31 20.083 20.863 -12.009 266 H ASP 32 H ASP 32 19.751 14.793 -10.191 267 HA ASP 32 HA ASP 32 22.555 15.056 -9.636 268 HB2 ASP 32 2HB ASP 32 20.365 15.351 -8.100 269 HB3 ASP 32 3HB ASP 32 20.789 13.694 -7.678 270 H LYS 33 H LYS 33 20.672 12.613 -10.934 271 HA LYS 33 HA LYS 33 22.494 10.507 -9.985 272 HB2 LYS 33 2HB LYS 33 20.155 10.019 -9.556 273 HB3 LYS 33 3HB LYS 33 19.752 10.314 -11.243 274 HG2 LYS 33 2HG LYS 33 21.184 8.394 -11.872 275 HG3 LYS 33 3HG LYS 33 21.437 8.068 -10.156 276 HD2 LYS 33 2HD LYS 33 18.641 8.349 -10.621 277 HD3 LYS 33 3HD LYS 33 19.296 7.226 -11.815 278 HE2 LYS 33 2HE LYS 33 19.724 5.648 -10.272 279 HE3 LYS 33 3HE LYS 33 20.291 6.822 -9.086 280 HZ1 LYS 33 3HZ LYS 33 18.003 7.359 -8.560 281 HZ2 LYS 33 1HZ LYS 33 18.272 5.701 -8.358 282 HZ3 LYS 33 2HZ LYS 33 17.444 6.263 -9.721 283 H GLU 34 H GLU 34 21.048 11.925 -12.881 284 HA GLU 34 HA GLU 34 23.153 10.612 -14.472 285 HB2 GLU 34 2HB GLU 34 20.534 10.050 -14.754 286 HB3 GLU 34 3HB GLU 34 20.653 11.430 -15.837 287 HG2 GLU 34 2HG GLU 34 20.954 9.382 -17.067 288 HG3 GLU 34 3HG GLU 34 22.456 10.305 -17.057 289 H GLY 35 H GLY 35 21.209 13.484 -13.928 290 HA2 GLY 35 2HA GLY 35 21.830 15.697 -14.266 291 HA3 GLY 35 3HA GLY 35 23.303 15.134 -15.043 292 H ILE 36 H ILE 36 20.272 13.867 -16.118 293 HA ILE 36 HA ILE 36 20.704 14.879 -18.759 294 HB ILE 36 HB ILE 36 18.534 13.791 -19.291 295 HG12 ILE 36 2HG1 ILE 36 18.313 12.347 -16.780 296 HG13 ILE 36 3HG1 ILE 36 18.074 14.076 -16.554 297 HG21 ILE 36 1HG2 ILE 36 19.303 11.462 -18.747 298 HG22 ILE 36 2HG2 ILE 36 20.498 12.481 -19.548 299 HG23 ILE 36 3HG2 ILE 36 20.609 12.190 -17.812 300 HD11 ILE 36 3HD1 ILE 36 16.035 12.609 -17.039 301 HD12 ILE 36 1HD1 ILE 36 16.208 14.118 -17.934 302 HD13 ILE 36 2HD1 ILE 36 16.622 12.585 -18.701 303 HA PRO 37 HA PRO 37 18.514 18.693 -18.405 304 HB2 PRO 37 2HB PRO 37 18.078 19.136 -21.048 305 HB3 PRO 37 3HB PRO 37 19.661 19.342 -20.287 306 HG2 PRO 37 2HG PRO 37 18.610 17.036 -21.881 307 HG3 PRO 37 3HG PRO 37 20.205 17.808 -21.948 308 HD2 PRO 37 2HD PRO 37 19.766 15.485 -20.628 309 HD3 PRO 37 3HD PRO 37 20.972 16.674 -20.094 310 HA PRO 38 HA PRO 38 14.356 16.930 -18.473 311 HB2 PRO 38 2HB PRO 38 13.284 18.829 -16.856 312 HB3 PRO 38 3HB PRO 38 14.216 17.459 -16.242 313 HG2 PRO 38 2HG PRO 38 15.091 20.281 -16.721 314 HG3 PRO 38 3HG PRO 38 15.445 19.218 -15.346 315 HD2 PRO 38 2HD PRO 38 17.214 19.645 -17.351 316 HD3 PRO 38 3HD PRO 38 17.115 18.102 -16.478 317 H ASP 39 H ASP 39 15.605 19.841 -19.677 318 HA ASP 39 HA ASP 39 13.245 21.198 -20.411 319 HB2 ASP 39 2HB ASP 39 16.086 21.463 -20.885 320 HB3 ASP 39 3HB ASP 39 15.176 21.790 -22.357 321 H GLN 40 H GLN 40 14.606 18.316 -21.552 322 HA GLN 40 HA GLN 40 13.057 18.490 -24.051 323 HB2 GLN 40 2HB GLN 40 15.434 16.742 -23.393 324 HB3 GLN 40 3HB GLN 40 14.531 16.691 -24.902 325 HG2 GLN 40 2HG GLN 40 15.136 19.112 -25.215 326 HG3 GLN 40 3HG GLN 40 16.233 18.929 -23.847 327 HE21 GLN 40 1HE2 GLN 40 17.417 16.595 -24.186 328 HE22 GLN 40 2HE2 GLN 40 18.276 16.522 -25.683 329 H GLN 41 H GLN 41 12.599 17.491 -21.081 330 HA GLN 41 HA GLN 41 11.492 14.861 -21.777 331 HB2 GLN 41 2HB GLN 41 13.029 14.940 -19.848 332 HB3 GLN 41 3HB GLN 41 11.958 16.087 -19.053 333 HG2 GLN 41 2HG GLN 41 10.163 14.321 -19.196 334 HG3 GLN 41 3HG GLN 41 11.432 13.200 -19.686 335 HE21 GLN 41 1HE2 GLN 41 9.895 12.816 -17.416 336 HE22 GLN 41 2HE2 GLN 41 10.901 12.975 -16.021 337 H ARG 42 H ARG 42 9.371 14.618 -22.015 338 HA ARG 42 HA ARG 42 7.581 16.623 -20.811 339 HB2 ARG 42 2HB ARG 42 7.994 16.083 -23.579 340 HB3 ARG 42 3HB ARG 42 6.377 15.538 -23.154 341 HG2 ARG 42 2HG ARG 42 6.797 18.084 -21.967 342 HG3 ARG 42 3HG ARG 42 7.276 18.169 -23.664 343 HD2 ARG 42 2HD ARG 42 4.640 17.126 -22.632 344 HD3 ARG 42 3HD ARG 42 4.904 18.719 -23.341 345 HE ARG 42 HE ARG 42 4.640 16.222 -24.737 346 HH11 ARG 42 1HH1 ARG 42 5.930 19.453 -24.872 347 HH12 ARG 42 2HH1 ARG 42 5.955 19.511 -26.604 348 HH21 ARG 42 1HH2 ARG 42 4.669 16.286 -27.017 349 HH22 ARG 42 2HH2 ARG 42 5.236 17.709 -27.823 350 H LEU 43 H LEU 43 6.348 15.680 -19.335 351 HA LEU 43 HA LEU 43 5.783 12.826 -19.511 352 HB2 LEU 43 2HB LEU 43 5.445 14.890 -17.360 353 HB3 LEU 43 3HB LEU 43 4.710 13.294 -17.232 354 HG LEU 43 HG LEU 43 7.667 13.852 -17.462 355 HD11 LEU 43 1HD1 LEU 43 7.856 13.639 -15.203 356 HD12 LEU 43 2HD1 LEU 43 6.415 12.633 -15.062 357 HD13 LEU 43 3HD1 LEU 43 6.256 14.375 -15.286 358 HD21 LEU 43 3HD2 LEU 43 7.670 11.374 -16.691 359 HD22 LEU 43 1HD2 LEU 43 7.413 11.751 -18.395 360 HD23 LEU 43 2HD2 LEU 43 6.040 11.345 -17.365 361 H ILE 44 H ILE 44 3.842 11.973 -19.977 362 HA ILE 44 HA ILE 44 1.486 13.714 -20.005 363 HB ILE 44 HB ILE 44 2.396 13.685 -22.305 364 HG12 ILE 44 2HG1 ILE 44 -0.120 12.052 -22.348 365 HG13 ILE 44 3HG1 ILE 44 -0.133 13.660 -21.631 366 HG21 ILE 44 1HG2 ILE 44 3.112 11.141 -21.842 367 HG22 ILE 44 2HG2 ILE 44 1.609 10.872 -22.723 368 HG23 ILE 44 3HG2 ILE 44 2.907 11.811 -23.460 369 HD11 ILE 44 3HD1 ILE 44 -0.841 13.933 -23.848 370 HD12 ILE 44 1HD1 ILE 44 0.833 14.486 -23.817 371 HD13 ILE 44 2HD1 ILE 44 0.441 12.896 -24.472 372 H PHE 45 H PHE 45 -0.404 12.717 -19.472 373 HA PHE 45 HA PHE 45 -0.707 9.866 -19.522 374 HB2 PHE 45 2HB PHE 45 0.575 9.916 -17.509 375 HB3 PHE 45 3HB PHE 45 -0.333 11.291 -16.889 376 HD1 PHE 45 HD1 PHE 45 -0.617 7.705 -17.769 377 HD2 PHE 45 HD2 PHE 45 -2.251 10.977 -15.592 378 HE1 PHE 45 HE1 PHE 45 -2.144 6.165 -16.608 379 HE2 PHE 45 HE2 PHE 45 -3.780 9.442 -14.426 380 HZ PHE 45 HZ PHE 45 -3.728 7.032 -14.933 381 H ALA 46 H ALA 46 -2.836 9.227 -19.330 382 HA ALA 46 HA ALA 46 -5.106 9.406 -19.343 383 HB1 ALA 46 1HB ALA 46 -4.968 11.990 -17.848 384 HB2 ALA 46 2HB ALA 46 -6.135 10.675 -17.711 385 HB3 ALA 46 3HB ALA 46 -4.510 10.484 -17.053 386 H GLY 47 H GLY 47 -3.306 10.865 -21.297 387 HA2 GLY 47 2HA GLY 47 -3.773 11.954 -23.285 388 HA3 GLY 47 3HA GLY 47 -5.433 12.157 -22.743 389 H LYS 48 H LYS 48 -3.648 13.262 -20.259 390 HA LYS 48 HA LYS 48 -3.758 16.026 -21.265 391 HB2 LYS 48 2HB LYS 48 -4.546 14.771 -18.748 392 HB3 LYS 48 3HB LYS 48 -3.530 16.188 -18.513 393 HG2 LYS 48 2HG LYS 48 -5.336 17.028 -20.408 394 HG3 LYS 48 3HG LYS 48 -6.305 15.997 -19.353 395 HD2 LYS 48 2HD LYS 48 -6.500 17.885 -18.131 396 HD3 LYS 48 3HD LYS 48 -4.918 17.403 -17.513 397 HE2 LYS 48 2HE LYS 48 -4.017 19.264 -18.323 398 HE3 LYS 48 3HE LYS 48 -4.545 18.830 -19.949 399 HZ1 LYS 48 3HZ LYS 48 -5.361 21.022 -19.050 400 HZ2 LYS 48 1HZ LYS 48 -6.346 20.138 -17.997 401 HZ3 LYS 48 2HZ LYS 48 -6.550 19.990 -19.670 402 H GLN 49 H GLN 49 -1.960 17.236 -21.319 403 HA GLN 49 HA GLN 49 0.577 16.025 -20.930 404 HB2 GLN 49 2HB GLN 49 1.440 18.356 -21.371 405 HB3 GLN 49 3HB GLN 49 0.406 17.683 -22.624 406 HG2 GLN 49 2HG GLN 49 -1.029 19.219 -20.594 407 HG3 GLN 49 3HG GLN 49 0.143 20.156 -21.520 408 HE21 GLN 49 1HE2 GLN 49 -2.014 21.170 -22.090 409 HE22 GLN 49 2HE2 GLN 49 -2.803 20.554 -23.498 410 H LEU 50 H LEU 50 1.537 15.680 -19.049 411 HA LEU 50 HA LEU 50 0.696 16.771 -16.603 412 HB2 LEU 50 2HB LEU 50 1.885 14.655 -16.767 413 HB3 LEU 50 3HB LEU 50 3.327 15.493 -17.339 414 HG LEU 50 HG LEU 50 3.186 14.700 -14.872 415 HD11 LEU 50 1HD1 LEU 50 4.509 16.820 -16.196 416 HD12 LEU 50 2HD1 LEU 50 5.030 15.921 -14.771 417 HD13 LEU 50 3HD1 LEU 50 4.070 17.388 -14.585 418 HD21 LEU 50 3HD2 LEU 50 2.086 16.056 -13.335 419 HD22 LEU 50 1HD2 LEU 50 0.919 15.907 -14.650 420 HD23 LEU 50 2HD2 LEU 50 1.886 17.374 -14.491 421 H GLU 51 H GLU 51 0.922 18.779 -15.897 422 HA GLU 51 HA GLU 51 2.943 20.522 -17.033 423 HB2 GLU 51 2HB GLU 51 0.468 20.868 -15.445 424 HB3 GLU 51 3HB GLU 51 1.729 22.065 -15.183 425 HG2 GLU 51 2HG GLU 51 1.591 22.885 -17.321 426 HG3 GLU 51 3HG GLU 51 0.929 21.385 -17.969 427 H ASP 52 H ASP 52 4.655 21.417 -15.959 428 HA ASP 52 HA ASP 52 5.829 19.958 -13.865 429 HB2 ASP 52 2HB ASP 52 7.494 21.779 -13.788 430 HB3 ASP 52 3HB ASP 52 7.166 21.256 -15.438 431 H GLY 53 H GLY 53 3.542 22.529 -13.852 432 HA2 GLY 53 2HA GLY 53 4.095 23.305 -11.107 433 HA3 GLY 53 3HA GLY 53 2.835 23.958 -12.144 434 H ARG 54 H ARG 54 2.864 20.589 -12.188 435 HA ARG 54 HA ARG 54 0.544 20.536 -10.389 436 HB2 ARG 54 2HB ARG 54 1.386 18.821 -12.710 437 HB3 ARG 54 3HB ARG 54 0.204 18.245 -11.543 438 HG2 ARG 54 2HG ARG 54 -0.335 20.924 -12.602 439 HG3 ARG 54 3HG ARG 54 -0.390 19.626 -13.796 440 HD2 ARG 54 2HD ARG 54 -1.837 18.408 -12.013 441 HD3 ARG 54 3HD ARG 54 -2.063 20.025 -11.349 442 HE ARG 54 HE ARG 54 -2.607 20.124 -14.087 443 HH11 ARG 54 1HH1 ARG 54 -3.905 18.707 -11.184 444 HH12 ARG 54 2HH1 ARG 54 -5.539 18.704 -11.760 445 HH21 ARG 54 1HH2 ARG 54 -4.755 20.126 -14.857 446 HH22 ARG 54 2HH2 ARG 54 -6.021 19.510 -13.850 447 H THR 55 H THR 55 0.262 18.696 -8.975 448 HA THR 55 HA THR 55 2.841 17.620 -8.040 449 HB THR 55 HB THR 55 0.752 17.334 -6.082 450 HG1 THR 55 HG1 THR 55 0.477 19.628 -5.719 451 HG21 THR 55 3HG2 THR 55 3.446 17.693 -6.106 452 HG22 THR 55 1HG2 THR 55 2.430 17.889 -4.679 453 HG23 THR 55 2HG2 THR 55 2.894 19.299 -5.631 454 H LEU 56 H LEU 56 2.743 15.475 -7.002 455 HA LEU 56 HA LEU 56 1.660 13.538 -8.685 456 HB2 LEU 56 2HB LEU 56 3.256 13.613 -6.343 457 HB3 LEU 56 3HB LEU 56 1.969 12.440 -6.075 458 HG LEU 56 HG LEU 56 4.017 11.400 -6.934 459 HD11 LEU 56 1HD1 LEU 56 1.550 10.743 -7.567 460 HD12 LEU 56 2HD1 LEU 56 2.929 9.930 -8.306 461 HD13 LEU 56 3HD1 LEU 56 2.081 11.202 -9.185 462 HD21 LEU 56 3HD2 LEU 56 3.881 12.187 -9.661 463 HD22 LEU 56 1HD2 LEU 56 5.221 12.363 -8.527 464 HD23 LEU 56 2HD2 LEU 56 4.014 13.641 -8.671 465 H SER 57 H SER 57 0.569 14.471 -5.420 466 HA SER 57 HA SER 57 -1.739 12.843 -5.451 467 HB2 SER 57 2HB SER 57 -0.734 13.708 -3.370 468 HB3 SER 57 3HB SER 57 -1.203 15.345 -3.829 469 HG SER 57 HG SER 57 -2.783 13.211 -2.953 470 H ASP 58 H ASP 58 -1.077 16.054 -6.625 471 HA ASP 58 HA ASP 58 -3.710 17.010 -6.846 472 HB2 ASP 58 2HB ASP 58 -1.300 18.119 -7.262 473 HB3 ASP 58 3HB ASP 58 -1.751 17.796 -8.934 474 H TYR 59 H TYR 59 -1.898 14.751 -8.747 475 HA TYR 59 HA TYR 59 -3.867 14.823 -10.908 476 HB2 TYR 59 2HB TYR 59 -1.076 14.180 -10.735 477 HB3 TYR 59 3HB TYR 59 -1.951 12.793 -11.373 478 HD1 TYR 59 HD1 TYR 59 -1.269 16.392 -11.904 479 HD2 TYR 59 HD2 TYR 59 -2.792 12.794 -13.587 480 HE1 TYR 59 HE1 TYR 59 -1.336 17.463 -14.117 481 HE2 TYR 59 HE2 TYR 59 -2.862 13.854 -15.805 482 HH TYR 59 HH TYR 59 -1.288 16.712 -16.527 483 H ASN 60 H ASN 60 -3.972 13.581 -8.021 484 HA ASN 60 HA ASN 60 -4.876 11.751 -7.005 485 HB2 ASN 60 2HB ASN 60 -6.621 12.632 -8.922 486 HB3 ASN 60 3HB ASN 60 -6.455 10.931 -9.348 487 HD21 ASN 60 1HD2 ASN 60 -8.594 10.532 -8.762 488 HD22 ASN 60 2HD2 ASN 60 -9.084 10.444 -7.107 489 H ILE 61 H ILE 61 -2.406 11.260 -8.282 490 HA ILE 61 HA ILE 61 -2.508 8.848 -9.805 491 HB ILE 61 HB ILE 61 -0.207 10.140 -8.338 492 HG12 ILE 61 2HG1 ILE 61 -1.083 11.521 -10.146 493 HG13 ILE 61 3HG1 ILE 61 0.480 10.853 -10.606 494 HG21 ILE 61 1HG2 ILE 61 0.795 8.555 -10.387 495 HG22 ILE 61 2HG2 ILE 61 0.882 8.227 -8.657 496 HG23 ILE 61 3HG2 ILE 61 -0.439 7.559 -9.616 497 HD11 ILE 61 3HD1 ILE 61 -2.233 10.231 -11.653 498 HD12 ILE 61 1HD1 ILE 61 -0.730 10.543 -12.521 499 HD13 ILE 61 2HD1 ILE 61 -0.978 8.994 -11.714 500 H GLN 62 H GLN 62 -3.501 7.177 -8.788 501 HA GLN 62 HA GLN 62 -3.141 6.563 -6.033 502 HB2 GLN 62 2HB GLN 62 -4.479 5.265 -8.356 503 HB3 GLN 62 3HB GLN 62 -4.121 4.267 -6.953 504 HG2 GLN 62 2HG GLN 62 -5.447 5.649 -5.537 505 HG3 GLN 62 3HG GLN 62 -5.647 6.853 -6.810 506 HE21 GLN 62 1HE2 GLN 62 -7.231 6.603 -8.290 507 HE22 GLN 62 2HE2 GLN 62 -8.359 5.295 -8.295 508 H LYS 63 H LYS 63 -2.530 4.133 -5.527 509 HA LYS 63 HA LYS 63 0.259 3.908 -6.126 510 HB2 LYS 63 2HB LYS 63 0.305 2.143 -4.558 511 HB3 LYS 63 3HB LYS 63 -0.884 3.281 -3.938 512 HG2 LYS 63 2HG LYS 63 -2.681 1.886 -4.858 513 HG3 LYS 63 3HG LYS 63 -1.474 0.733 -5.433 514 HD2 LYS 63 2HD LYS 63 -1.442 -0.256 -3.443 515 HD3 LYS 63 3HD LYS 63 -0.993 1.268 -2.672 516 HE2 LYS 63 2HE LYS 63 -3.428 1.878 -2.690 517 HE3 LYS 63 3HE LYS 63 -3.768 0.233 -3.224 518 HZ1 LYS 63 3HZ LYS 63 -3.632 -0.468 -1.142 519 HZ2 LYS 63 1HZ LYS 63 -3.429 1.129 -0.622 520 HZ3 LYS 63 2HZ LYS 63 -2.077 0.174 -0.966 521 H GLU 64 H GLU 64 1.321 2.386 -7.353 522 HA GLU 64 HA GLU 64 1.651 0.743 -8.908 523 HB2 GLU 64 2HB GLU 64 -0.570 -0.171 -7.541 524 HB3 GLU 64 3HB GLU 64 -1.116 -0.143 -9.212 525 HG2 GLU 64 2HG GLU 64 1.120 -1.378 -9.683 526 HG3 GLU 64 3HG GLU 64 1.063 -1.747 -7.961 527 H SER 65 H SER 65 0.732 3.501 -9.455 528 HA SER 65 HA SER 65 -0.907 3.341 -11.819 529 HB2 SER 65 2HB SER 65 -0.692 5.730 -11.930 530 HB3 SER 65 3HB SER 65 -0.902 5.300 -10.232 531 HG SER 65 HG SER 65 1.313 6.337 -11.550 532 H THR 66 H THR 66 -0.234 4.004 -13.935 533 HA THR 66 HA THR 66 2.646 3.625 -14.438 534 HB THR 66 HB THR 66 2.200 2.375 -16.419 535 HG1 THR 66 HG1 THR 66 -0.589 2.472 -16.005 536 HG21 THR 66 3HG2 THR 66 0.150 1.074 -14.736 537 HG22 THR 66 1HG2 THR 66 1.701 1.388 -13.959 538 HG23 THR 66 2HG2 THR 66 1.632 0.417 -15.429 539 H LEU 67 H LEU 67 3.526 5.390 -15.275 540 HA LEU 67 HA LEU 67 1.829 7.235 -16.808 541 HB2 LEU 67 2HB LEU 67 4.227 7.570 -15.082 542 HB3 LEU 67 3HB LEU 67 3.999 8.699 -16.416 543 HG LEU 67 HG LEU 67 1.601 8.950 -15.341 544 HD11 LEU 67 1HD1 LEU 67 3.267 7.710 -13.206 545 HD12 LEU 67 2HD1 LEU 67 1.556 7.492 -13.574 546 HD13 LEU 67 3HD1 LEU 67 2.104 8.963 -12.770 547 HD21 LEU 67 3HD2 LEU 67 2.856 10.879 -15.544 548 HD22 LEU 67 1HD2 LEU 67 4.194 10.235 -14.594 549 HD23 LEU 67 2HD2 LEU 67 2.701 10.726 -13.794 550 H HIS 68 H HIS 68 2.749 8.279 -18.693 551 HA HIS 68 HA HIS 68 4.354 6.407 -20.249 552 HB2 HIS 68 2HB HIS 68 2.295 7.220 -21.269 553 HB3 HIS 68 3HB HIS 68 2.830 8.886 -21.075 554 HD1 HIS 68 HD1 HIS 68 4.671 9.738 -22.697 555 HD2 HIS 68 HD2 HIS 68 3.389 5.856 -23.440 556 HE1 HIS 68 HE1 HIS 68 5.559 9.161 -24.978 557 H LEU 69 H LEU 69 6.337 6.857 -21.103 558 HA LEU 69 HA LEU 69 7.553 9.427 -20.329 559 HB2 LEU 69 2HB LEU 69 8.274 7.078 -19.282 560 HB3 LEU 69 3HB LEU 69 9.275 7.050 -20.732 561 HG LEU 69 HG LEU 69 9.393 9.505 -19.080 562 HD11 LEU 69 1HD1 LEU 69 9.711 6.947 -17.887 563 HD12 LEU 69 2HD1 LEU 69 9.992 8.538 -17.181 564 HD13 LEU 69 3HD1 LEU 69 11.300 7.702 -18.017 565 HD21 LEU 69 3HD2 LEU 69 10.701 8.824 -21.239 566 HD22 LEU 69 1HD2 LEU 69 11.708 7.925 -20.104 567 HD23 LEU 69 2HD2 LEU 69 11.524 9.671 -19.929 568 H VAL 70 H VAL 70 8.338 10.617 -21.939 569 HA VAL 70 HA VAL 70 8.348 9.525 -24.632 570 HB VAL 70 HB VAL 70 7.384 11.791 -24.072 571 HG11 VAL 70 1HG1 VAL 70 9.288 12.423 -22.561 572 HG12 VAL 70 2HG1 VAL 70 10.263 12.672 -24.011 573 HG13 VAL 70 3HG1 VAL 70 8.824 13.654 -23.735 574 HG21 VAL 70 3HG2 VAL 70 8.343 10.899 -26.356 575 HG22 VAL 70 1HG2 VAL 70 7.808 12.570 -26.184 576 HG23 VAL 70 2HG2 VAL 70 9.526 12.182 -26.103 577 H LEU 71 H LEU 71 10.150 9.768 -26.073 578 HA LEU 71 HA LEU 71 12.741 9.718 -24.672 579 HB2 LEU 71 2HB LEU 71 11.910 7.593 -25.772 580 HB3 LEU 71 3HB LEU 71 12.130 8.417 -27.314 581 HG LEU 71 HG LEU 71 14.491 8.405 -25.556 582 HD11 LEU 71 1HD1 LEU 71 13.655 6.184 -25.069 583 HD12 LEU 71 2HD1 LEU 71 15.069 6.085 -26.117 584 HD13 LEU 71 3HD1 LEU 71 13.456 5.856 -26.791 585 HD21 LEU 71 3HD2 LEU 71 14.458 7.395 -28.346 586 HD22 LEU 71 1HD2 LEU 71 15.623 8.437 -27.529 587 HD23 LEU 71 2HD2 LEU 71 14.087 9.100 -28.086 588 H ARG 72 H ARG 72 14.602 10.482 -25.911 589 HA ARG 72 HA ARG 72 13.854 12.743 -27.635 590 HB2 ARG 72 2HB ARG 72 16.203 13.550 -27.064 591 HB3 ARG 72 3HB ARG 72 15.027 13.556 -25.756 592 HG2 ARG 72 2HG ARG 72 16.658 11.113 -26.033 593 HG3 ARG 72 3HG ARG 72 17.503 12.573 -25.515 594 HD2 ARG 72 2HD ARG 72 14.988 12.258 -24.126 595 HD3 ARG 72 3HD ARG 72 16.015 10.839 -23.924 596 HE ARG 72 HE ARG 72 16.483 13.492 -22.885 597 HH11 ARG 72 1HH1 ARG 72 17.869 10.399 -23.678 598 HH12 ARG 72 2HH1 ARG 72 19.214 10.579 -22.600 599 HH21 ARG 72 1HH2 ARG 72 18.249 13.741 -21.462 600 HH22 ARG 72 2HH2 ARG 72 19.428 12.480 -21.340 601 H LEU 73 H LEU 73 14.203 12.514 -29.734 602 HA LEU 73 HA LEU 73 15.919 10.396 -30.717 603 HB2 LEU 73 2HB LEU 73 13.760 10.742 -31.762 604 HB3 LEU 73 3HB LEU 73 14.190 12.407 -32.151 605 HG LEU 73 HG LEU 73 16.154 11.165 -33.463 606 HD11 LEU 73 1HD1 LEU 73 14.482 9.032 -32.670 607 HD12 LEU 73 2HD1 LEU 73 15.884 8.985 -33.739 608 HD13 LEU 73 3HD1 LEU 73 14.273 9.247 -34.408 609 HD21 LEU 73 3HD2 LEU 73 15.102 11.919 -35.306 610 HD22 LEU 73 1HD2 LEU 73 13.976 12.611 -34.138 611 HD23 LEU 73 2HD2 LEU 73 13.599 11.078 -34.924 612 H ARG 74 H ARG 74 17.786 10.648 -31.888 613 HA ARG 74 HA ARG 74 19.017 13.309 -31.736 614 HB2 ARG 74 2HB ARG 74 20.035 11.086 -30.748 615 HB3 ARG 74 3HB ARG 74 20.565 10.842 -32.407 616 HG2 ARG 74 2HG ARG 74 22.247 12.257 -32.145 617 HG3 ARG 74 3HG ARG 74 21.166 13.517 -31.546 618 HD2 ARG 74 2HD ARG 74 21.311 11.765 -29.431 619 HD3 ARG 74 3HD ARG 74 22.945 11.721 -30.091 620 HE ARG 74 HE ARG 74 22.209 14.392 -29.905 621 HH11 ARG 74 1HH1 ARG 74 22.743 11.692 -27.773 622 HH12 ARG 74 2HH1 ARG 74 23.247 12.677 -26.440 623 HH21 ARG 74 1HH2 ARG 74 22.870 15.699 -28.157 624 HH22 ARG 74 2HH2 ARG 74 23.318 14.957 -26.659 625 H GLY 75 H GLY 75 18.909 14.459 -33.546 626 HA2 GLY 75 2HA GLY 75 19.873 14.653 -35.803 627 HA3 GLY 75 3HA GLY 75 19.259 13.036 -36.112 628 H GLY 76 H GLY 76 18.714 16.243 -36.656 629 HA2 GLY 76 2HA GLY 76 16.266 15.835 -37.972 630 HA3 GLY 76 3HA GLY 76 15.932 16.519 -36.388 Start of MODEL 8 1 H1 GLY 0 H GLY 0 0.432 2.402 -0.397 2 HA2 GLY 0 2HA GLY 0 2.292 0.976 -0.500 3 HA3 GLY 0 3HA GLY 0 2.086 0.870 -2.242 4 H MET 1 H MET 1 1.941 3.776 -2.579 5 HA MET 1 HA MET 1 3.284 5.612 -2.806 6 HB2 MET 1 2HB MET 1 4.044 4.706 -0.376 7 HB3 MET 1 3HB MET 1 5.553 4.512 -1.257 8 HG2 MET 1 2HG MET 1 5.577 6.643 -0.204 9 HG3 MET 1 3HG MET 1 5.394 6.892 -1.939 10 HE1 MET 1 3HE MET 1 2.473 6.244 1.036 11 HE2 MET 1 1HE MET 1 4.042 6.919 1.476 12 HE3 MET 1 2HE MET 1 2.615 7.955 1.443 13 H GLN 2 H GLN 2 3.976 2.512 -3.718 14 HA GLN 2 HA GLN 2 6.443 3.158 -5.134 15 HB2 GLN 2 2HB GLN 2 5.843 0.915 -3.889 16 HB3 GLN 2 3HB GLN 2 5.040 0.532 -5.406 17 HG2 GLN 2 2HG GLN 2 7.531 1.470 -6.173 18 HG3 GLN 2 3HG GLN 2 7.850 0.499 -4.737 19 HE21 GLN 2 1HE2 GLN 2 5.539 0.212 -7.415 20 HE22 GLN 2 2HE2 GLN 2 5.995 -1.393 -7.862 21 H ILE 3 H ILE 3 6.522 3.682 -7.223 22 HA ILE 3 HA ILE 3 4.097 3.271 -8.847 23 HB ILE 3 HB ILE 3 6.055 5.491 -9.357 24 HG12 ILE 3 2HG1 ILE 3 5.245 5.747 -7.046 25 HG13 ILE 3 3HG1 ILE 3 4.601 7.005 -8.096 26 HG21 ILE 3 1HG2 ILE 3 3.752 6.441 -10.220 27 HG22 ILE 3 2HG2 ILE 3 4.718 5.342 -11.204 28 HG23 ILE 3 3HG2 ILE 3 3.338 4.728 -10.294 29 HD11 ILE 3 3HD1 ILE 3 2.464 6.132 -8.043 30 HD12 ILE 3 1HD1 ILE 3 3.021 4.529 -7.562 31 HD13 ILE 3 2HD1 ILE 3 3.042 5.856 -6.400 32 H PHE 4 H PHE 4 4.480 3.104 -11.183 33 HA PHE 4 HA PHE 4 7.134 2.001 -11.821 34 HB2 PHE 4 2HB PHE 4 4.507 0.723 -11.982 35 HB3 PHE 4 3HB PHE 4 5.407 0.643 -13.493 36 HD1 PHE 4 HD1 PHE 4 8.029 0.071 -13.042 37 HD2 PHE 4 HD2 PHE 4 4.734 -1.086 -10.608 38 HE1 PHE 4 HE1 PHE 4 9.345 -1.812 -12.159 39 HE2 PHE 4 HE2 PHE 4 6.045 -2.969 -9.721 40 HZ PHE 4 HZ PHE 4 8.354 -3.334 -10.496 41 H VAL 5 H VAL 5 8.007 2.588 -13.744 42 HA VAL 5 HA VAL 5 6.366 4.311 -15.486 43 HB VAL 5 HB VAL 5 9.345 4.568 -15.080 44 HG11 VAL 5 1HG1 VAL 5 9.191 6.568 -16.329 45 HG12 VAL 5 2HG1 VAL 5 8.277 5.361 -17.236 46 HG13 VAL 5 3HG1 VAL 5 7.429 6.563 -16.262 47 HG21 VAL 5 3HG2 VAL 5 8.262 6.825 -14.005 48 HG22 VAL 5 1HG2 VAL 5 7.099 5.597 -13.504 49 HG23 VAL 5 2HG2 VAL 5 8.802 5.425 -13.076 50 H LYS 6 H LYS 6 6.237 3.753 -17.566 51 HA LYS 6 HA LYS 6 7.957 1.564 -18.511 52 HB2 LYS 6 2HB LYS 6 5.897 0.718 -18.935 53 HB3 LYS 6 3HB LYS 6 5.137 2.305 -18.956 54 HG2 LYS 6 2HG LYS 6 5.752 2.676 -21.206 55 HG3 LYS 6 3HG LYS 6 6.852 1.295 -21.207 56 HD2 LYS 6 2HD LYS 6 4.753 -0.105 -20.693 57 HD3 LYS 6 3HD LYS 6 3.850 1.316 -21.222 58 HE2 LYS 6 2HE LYS 6 5.779 0.956 -23.184 59 HE3 LYS 6 3HE LYS 6 5.259 -0.680 -22.784 60 HZ1 LYS 6 3HZ LYS 6 3.198 -0.322 -23.598 61 HZ2 LYS 6 1HZ LYS 6 3.997 0.836 -24.538 62 HZ3 LYS 6 2HZ LYS 6 3.161 1.307 -23.145 63 H THR 7 H THR 7 9.264 1.813 -20.235 64 HA THR 7 HA THR 7 9.317 4.470 -21.497 65 HB THR 7 HB THR 7 11.638 4.122 -21.990 66 HG1 THR 7 HG1 THR 7 11.581 1.584 -20.740 67 HG21 THR 7 3HG2 THR 7 10.838 4.657 -19.575 68 HG22 THR 7 1HG2 THR 7 12.530 4.245 -19.849 69 HG23 THR 7 2HG2 THR 7 11.420 3.033 -19.208 70 H LEU 8 H LEU 8 10.713 4.065 -23.741 71 HA LEU 8 HA LEU 8 8.845 2.542 -25.373 72 HB2 LEU 8 2HB LEU 8 11.138 4.289 -26.247 73 HB3 LEU 8 3HB LEU 8 9.835 3.669 -27.259 74 HG LEU 8 HG LEU 8 9.321 5.545 -24.966 75 HD11 LEU 8 1HD1 LEU 8 10.945 6.557 -26.544 76 HD12 LEU 8 2HD1 LEU 8 9.393 7.392 -26.497 77 HD13 LEU 8 3HD1 LEU 8 9.776 6.318 -27.843 78 HD21 LEU 8 3HD2 LEU 8 7.469 4.184 -25.999 79 HD22 LEU 8 1HD2 LEU 8 7.753 5.078 -27.493 80 HD23 LEU 8 2HD2 LEU 8 7.242 5.933 -26.037 81 H THR 9 H THR 9 11.648 1.892 -23.789 82 HA THR 9 HA THR 9 12.735 0.134 -25.866 83 HB THR 9 HB THR 9 14.719 -0.045 -24.576 84 HG1 THR 9 HG1 THR 9 14.593 1.207 -22.417 85 HG21 THR 9 3HG2 THR 9 14.351 2.138 -25.727 86 HG22 THR 9 1HG2 THR 9 15.439 2.238 -24.343 87 HG23 THR 9 2HG2 THR 9 13.772 2.796 -24.197 88 H GLY 10 H GLY 10 10.275 -0.200 -23.967 89 HA2 GLY 10 2HA GLY 10 9.177 -2.041 -23.131 90 HA3 GLY 10 3HA GLY 10 10.487 -3.030 -23.758 91 H LYS 11 H LYS 11 11.472 -0.503 -21.693 92 HA LYS 11 HA LYS 11 12.018 -2.462 -19.579 93 HB2 LYS 11 2HB LYS 11 13.834 -0.988 -20.692 94 HB3 LYS 11 3HB LYS 11 13.175 0.310 -19.705 95 HG2 LYS 11 2HG LYS 11 14.821 -0.429 -18.324 96 HG3 LYS 11 3HG LYS 11 13.497 -1.459 -17.776 97 HD2 LYS 11 2HD LYS 11 14.298 -3.225 -19.324 98 HD3 LYS 11 3HD LYS 11 15.676 -2.198 -19.728 99 HE2 LYS 11 2HE LYS 11 16.679 -2.513 -17.700 100 HE3 LYS 11 3HE LYS 11 15.149 -2.758 -16.858 101 HZ1 LYS 11 3HZ LYS 11 15.136 -4.902 -18.370 102 HZ2 LYS 11 1HZ LYS 11 15.915 -4.876 -16.868 103 HZ3 LYS 11 2HZ LYS 11 16.812 -4.685 -18.290 104 H THR 12 H THR 12 11.569 -2.008 -17.400 105 HA THR 12 HA THR 12 9.645 0.179 -16.951 106 HB THR 12 HB THR 12 8.449 -1.953 -16.986 107 HG1 THR 12 HG1 THR 12 7.415 -0.782 -15.528 108 HG21 THR 12 3HG2 THR 12 9.008 -3.810 -15.748 109 HG22 THR 12 1HG2 THR 12 9.875 -2.872 -14.532 110 HG23 THR 12 2HG2 THR 12 10.611 -3.170 -16.107 111 H ILE 13 H ILE 13 10.089 1.500 -15.301 112 HA ILE 13 HA ILE 13 12.191 0.676 -13.407 113 HB ILE 13 HB ILE 13 11.497 3.478 -14.297 114 HG12 ILE 13 2HG1 ILE 13 12.635 2.111 -16.031 115 HG13 ILE 13 3HG1 ILE 13 13.622 3.456 -15.469 116 HG21 ILE 13 1HG2 ILE 13 13.904 3.679 -13.104 117 HG22 ILE 13 2HG2 ILE 13 12.372 3.951 -12.274 118 HG23 ILE 13 3HG2 ILE 13 13.182 2.390 -12.140 119 HD11 ILE 13 3HD1 ILE 13 14.956 1.986 -14.129 120 HD12 ILE 13 1HD1 ILE 13 13.900 0.623 -14.500 121 HD13 ILE 13 2HD1 ILE 13 14.878 1.353 -15.773 122 H THR 14 H THR 14 11.928 1.107 -11.229 123 HA THR 14 HA THR 14 9.202 1.886 -10.425 124 HB THR 14 HB THR 14 9.514 -0.373 -9.777 125 HG1 THR 14 HG1 THR 14 8.799 1.207 -8.100 126 HG21 THR 14 3HG2 THR 14 12.249 0.539 -8.991 127 HG22 THR 14 1HG2 THR 14 11.766 -0.867 -9.937 128 HG23 THR 14 2HG2 THR 14 11.536 -0.859 -8.188 129 H LEU 15 H LEU 15 8.931 3.514 -9.002 130 HA LEU 15 HA LEU 15 11.230 4.511 -7.498 131 HB2 LEU 15 2HB LEU 15 10.661 6.844 -8.158 132 HB3 LEU 15 3HB LEU 15 11.326 5.854 -9.456 133 HG LEU 15 HG LEU 15 8.817 5.489 -10.080 134 HD11 LEU 15 1HD1 LEU 15 8.740 7.891 -8.289 135 HD12 LEU 15 2HD1 LEU 15 7.675 6.487 -8.308 136 HD13 LEU 15 3HD1 LEU 15 7.582 7.681 -9.602 137 HD21 LEU 15 3HD2 LEU 15 10.796 6.973 -11.111 138 HD22 LEU 15 1HD2 LEU 15 9.655 8.253 -10.698 139 HD23 LEU 15 2HD2 LEU 15 9.161 6.946 -11.775 140 H GLU 16 H GLU 16 10.454 6.401 -6.035 141 HA GLU 16 HA GLU 16 7.725 5.871 -5.078 142 HB2 GLU 16 2HB GLU 16 8.450 5.823 -2.792 143 HB3 GLU 16 3HB GLU 16 9.414 4.660 -3.690 144 HG2 GLU 16 2HG GLU 16 11.139 6.552 -3.886 145 HG3 GLU 16 3HG GLU 16 10.225 7.320 -2.589 146 H VAL 17 H VAL 17 6.598 7.621 -4.351 147 HA VAL 17 HA VAL 17 7.948 10.158 -3.921 148 HB VAL 17 HB VAL 17 6.485 11.375 -5.500 149 HG11 VAL 17 1HG1 VAL 17 7.768 10.933 -7.442 150 HG12 VAL 17 2HG1 VAL 17 8.816 10.585 -6.065 151 HG13 VAL 17 3HG1 VAL 17 8.059 9.263 -6.956 152 HG21 VAL 17 3HG2 VAL 17 4.661 10.312 -6.225 153 HG22 VAL 17 1HG2 VAL 17 5.725 9.461 -7.345 154 HG23 VAL 17 2HG2 VAL 17 5.316 8.733 -5.792 155 H GLU 18 H GLU 18 6.066 11.906 -3.605 156 HA GLU 18 HA GLU 18 3.997 10.655 -1.922 157 HB2 GLU 18 2HB GLU 18 4.733 13.336 -1.073 158 HB3 GLU 18 3HB GLU 18 4.599 11.858 -0.130 159 HG2 GLU 18 2HG GLU 18 6.860 11.215 -1.040 160 HG3 GLU 18 3HG GLU 18 6.977 12.859 -1.665 161 HA PRO 19 HA PRO 19 0.954 13.092 -3.931 162 HB2 PRO 19 2HB PRO 19 -0.634 13.919 -1.890 163 HB3 PRO 19 3HB PRO 19 -0.590 12.245 -2.456 164 HG2 PRO 19 2HG PRO 19 0.783 13.485 -0.102 165 HG3 PRO 19 3HG PRO 19 -0.060 11.929 -0.214 166 HD2 PRO 19 2HD PRO 19 2.638 12.135 -0.319 167 HD3 PRO 19 3HD PRO 19 1.741 10.881 -1.199 168 H SER 20 H SER 20 2.575 14.627 -1.209 169 HA SER 20 HA SER 20 1.767 17.284 -2.027 170 HB2 SER 20 2HB SER 20 3.094 16.078 0.302 171 HB3 SER 20 3HB SER 20 3.733 17.658 -0.151 172 HG SER 20 HG SER 20 1.602 18.469 -0.036 173 H ASP 21 H ASP 21 3.929 15.161 -3.217 174 HA ASP 21 HA ASP 21 6.153 16.970 -3.624 175 HB2 ASP 21 2HB ASP 21 6.260 14.394 -3.350 176 HB3 ASP 21 3HB ASP 21 5.792 14.347 -5.048 177 H THR 22 H THR 22 6.725 17.963 -5.525 178 HA THR 22 HA THR 22 4.607 18.102 -7.557 179 HB THR 22 HB THR 22 6.883 20.046 -7.445 180 HG1 THR 22 HG1 THR 22 4.689 19.871 -5.671 181 HG21 THR 22 3HG2 THR 22 4.390 21.267 -7.913 182 HG22 THR 22 1HG2 THR 22 4.398 19.776 -8.853 183 HG23 THR 22 2HG2 THR 22 5.679 20.967 -9.078 184 H ILE 23 H ILE 23 5.169 18.139 -9.793 185 HA ILE 23 HA ILE 23 6.965 16.159 -10.587 186 HB ILE 23 HB ILE 23 5.790 18.424 -12.200 187 HG12 ILE 23 2HG1 ILE 23 4.152 16.865 -11.212 188 HG13 ILE 23 3HG1 ILE 23 4.198 16.736 -12.967 189 HG21 ILE 23 1HG2 ILE 23 7.545 16.143 -12.965 190 HG22 ILE 23 2HG2 ILE 23 6.285 16.664 -14.083 191 HG23 ILE 23 3HG2 ILE 23 7.527 17.802 -13.561 192 HD11 ILE 23 3HD1 ILE 23 5.602 14.735 -12.762 193 HD12 ILE 23 1HD1 ILE 23 5.488 14.855 -11.006 194 HD13 ILE 23 2HD1 ILE 23 4.039 14.549 -11.966 195 H GLU 24 H GLU 24 7.324 19.687 -10.571 196 HA GLU 24 HA GLU 24 9.791 19.876 -11.837 197 HB2 GLU 24 2HB GLU 24 8.076 21.672 -10.786 198 HB3 GLU 24 3HB GLU 24 9.327 21.702 -9.552 199 HG2 GLU 24 2HG GLU 24 10.220 21.893 -12.362 200 HG3 GLU 24 3HG GLU 24 9.358 23.279 -11.697 201 H ASN 25 H ASN 25 9.007 19.088 -8.506 202 HA ASN 25 HA ASN 25 11.684 19.244 -7.535 203 HB2 ASN 25 2HB ASN 25 9.100 18.158 -6.477 204 HB3 ASN 25 3HB ASN 25 10.608 17.743 -5.666 205 HD21 ASN 25 1HD2 ASN 25 11.668 19.262 -4.480 206 HD22 ASN 25 2HD2 ASN 25 11.029 20.833 -4.152 207 H VAL 26 H VAL 26 9.591 16.576 -8.579 208 HA VAL 26 HA VAL 26 11.319 14.459 -8.017 209 HB VAL 26 HB VAL 26 9.287 14.697 -10.240 210 HG11 VAL 26 1HG1 VAL 26 10.767 12.925 -10.818 211 HG12 VAL 26 2HG1 VAL 26 10.770 12.306 -9.165 212 HG13 VAL 26 3HG1 VAL 26 9.310 12.191 -10.149 213 HG21 VAL 26 3HG2 VAL 26 8.099 14.919 -8.251 214 HG22 VAL 26 1HG2 VAL 26 8.009 13.188 -8.581 215 HG23 VAL 26 2HG2 VAL 26 9.151 13.800 -7.384 216 H LYS 27 H LYS 27 11.158 16.614 -10.793 217 HA LYS 27 HA LYS 27 12.984 15.174 -12.423 218 HB2 LYS 27 2HB LYS 27 11.609 17.766 -12.501 219 HB3 LYS 27 3HB LYS 27 13.193 17.780 -13.266 220 HG2 LYS 27 2HG LYS 27 11.658 17.276 -14.970 221 HG3 LYS 27 3HG LYS 27 12.441 15.747 -14.565 222 HD2 LYS 27 2HD LYS 27 10.069 16.236 -12.958 223 HD3 LYS 27 3HD LYS 27 9.716 16.218 -14.688 224 HE2 LYS 27 2HE LYS 27 10.438 14.028 -14.940 225 HE3 LYS 27 3HE LYS 27 11.417 14.077 -13.475 226 HZ1 LYS 27 3HZ LYS 27 9.094 14.397 -12.360 227 HZ2 LYS 27 1HZ LYS 27 9.644 12.851 -12.771 228 HZ3 LYS 27 2HZ LYS 27 8.532 13.646 -13.768 229 H ALA 28 H ALA 28 13.340 17.748 -10.045 230 HA ALA 28 HA ALA 28 16.035 18.377 -10.553 231 HB1 ALA 28 1HB ALA 28 15.075 19.970 -9.238 232 HB2 ALA 28 2HB ALA 28 14.157 18.798 -8.292 233 HB3 ALA 28 3HB ALA 28 15.881 19.019 -7.990 234 H LYS 29 H LYS 29 14.522 15.865 -8.629 235 HA LYS 29 HA LYS 29 16.848 15.051 -7.226 236 HB2 LYS 29 2HB LYS 29 14.185 14.429 -7.086 237 HB3 LYS 29 3HB LYS 29 14.855 12.964 -7.791 238 HG2 LYS 29 2HG LYS 29 15.943 14.225 -5.290 239 HG3 LYS 29 3HG LYS 29 14.676 12.997 -5.286 240 HD2 LYS 29 2HD LYS 29 16.360 11.521 -5.194 241 HD3 LYS 29 3HD LYS 29 16.576 11.875 -6.910 242 HE2 LYS 29 2HE LYS 29 18.710 12.130 -5.974 243 HE3 LYS 29 3HE LYS 29 18.099 13.775 -6.151 244 HZ1 LYS 29 3HZ LYS 29 17.685 13.934 -3.868 245 HZ2 LYS 29 1HZ LYS 29 19.202 13.193 -3.968 246 HZ3 LYS 29 2HZ LYS 29 17.830 12.267 -3.620 247 H ILE 30 H ILE 30 15.481 14.213 -10.345 248 HA ILE 30 HA ILE 30 17.112 11.943 -10.833 249 HB ILE 30 HB ILE 30 15.047 13.311 -12.202 250 HG12 ILE 30 2HG1 ILE 30 15.146 10.903 -11.822 251 HG13 ILE 30 3HG1 ILE 30 14.992 11.236 -13.544 252 HG21 ILE 30 1HG2 ILE 30 16.779 14.467 -13.474 253 HG22 ILE 30 2HG2 ILE 30 17.499 12.919 -13.913 254 HG23 ILE 30 3HG2 ILE 30 15.888 13.340 -14.496 255 HD11 ILE 30 3HD1 ILE 30 17.054 9.818 -12.114 256 HD12 ILE 30 1HD1 ILE 30 16.709 9.871 -13.843 257 HD13 ILE 30 2HD1 ILE 30 17.725 11.111 -13.107 258 H GLN 31 H GLN 31 17.518 15.385 -11.362 259 HA GLN 31 HA GLN 31 19.783 15.198 -13.063 260 HB2 GLN 31 2HB GLN 31 18.470 17.227 -13.012 261 HB3 GLN 31 3HB GLN 31 18.796 17.441 -11.297 262 HG2 GLN 31 2HG GLN 31 21.236 17.622 -11.910 263 HG3 GLN 31 3HG GLN 31 20.713 17.713 -13.591 264 HE21 GLN 31 1HE2 GLN 31 21.766 19.553 -11.208 265 HE22 GLN 31 2HE2 GLN 31 20.908 21.021 -11.513 266 H ASP 32 H ASP 32 19.339 15.185 -9.603 267 HA ASP 32 HA ASP 32 22.117 15.611 -8.995 268 HB2 ASP 32 2HB ASP 32 19.621 15.227 -7.488 269 HB3 ASP 32 3HB ASP 32 21.044 14.527 -6.720 270 H LYS 33 H LYS 33 20.355 13.005 -10.138 271 HA LYS 33 HA LYS 33 22.230 11.054 -8.981 272 HB2 LYS 33 2HB LYS 33 19.632 10.826 -8.806 273 HB3 LYS 33 3HB LYS 33 19.747 10.284 -10.475 274 HG2 LYS 33 2HG LYS 33 21.119 8.437 -9.864 275 HG3 LYS 33 3HG LYS 33 21.299 9.045 -8.216 276 HD2 LYS 33 2HD LYS 33 19.257 8.298 -7.576 277 HD3 LYS 33 3HD LYS 33 18.531 8.609 -9.154 278 HE2 LYS 33 2HE LYS 33 18.542 6.355 -9.290 279 HE3 LYS 33 3HE LYS 33 20.210 6.611 -9.802 280 HZ1 LYS 33 3HZ LYS 33 20.167 6.541 -7.011 281 HZ2 LYS 33 1HZ LYS 33 20.873 5.428 -8.072 282 HZ3 LYS 33 2HZ LYS 33 19.276 5.212 -7.561 283 H GLU 34 H GLU 34 20.798 12.196 -11.999 284 HA GLU 34 HA GLU 34 22.950 10.802 -13.452 285 HB2 GLU 34 2HB GLU 34 20.113 11.309 -14.363 286 HB3 GLU 34 3HB GLU 34 21.389 10.665 -15.386 287 HG2 GLU 34 2HG GLU 34 21.142 9.153 -12.941 288 HG3 GLU 34 3HG GLU 34 19.613 9.227 -13.814 289 H GLY 35 H GLY 35 20.951 13.674 -13.163 290 HA2 GLY 35 2HA GLY 35 21.529 15.864 -13.668 291 HA3 GLY 35 3HA GLY 35 23.038 15.276 -14.351 292 H ILE 36 H ILE 36 20.114 13.815 -15.438 293 HA ILE 36 HA ILE 36 20.599 14.581 -18.131 294 HB ILE 36 HB ILE 36 18.979 12.680 -16.818 295 HG12 ILE 36 2HG1 ILE 36 18.839 12.961 -19.772 296 HG13 ILE 36 3HG1 ILE 36 20.443 12.802 -19.065 297 HG21 ILE 36 1HG2 ILE 36 17.366 14.408 -18.690 298 HG22 ILE 36 2HG2 ILE 36 16.840 12.901 -17.941 299 HG23 ILE 36 3HG2 ILE 36 17.154 14.319 -16.941 300 HD11 ILE 36 3HD1 ILE 36 18.239 10.882 -18.415 301 HD12 ILE 36 1HD1 ILE 36 19.269 10.681 -19.832 302 HD13 ILE 36 2HD1 ILE 36 19.979 10.678 -18.217 303 HA PRO 37 HA PRO 37 18.462 18.423 -18.349 304 HB2 PRO 37 2HB PRO 37 17.887 18.451 -21.002 305 HB3 PRO 37 3HB PRO 37 19.515 18.723 -20.369 306 HG2 PRO 37 2HG PRO 37 18.320 16.228 -21.511 307 HG3 PRO 37 3HG PRO 37 19.927 16.926 -21.785 308 HD2 PRO 37 2HD PRO 37 19.507 14.861 -20.085 309 HD3 PRO 37 3HD PRO 37 20.770 16.079 -19.815 310 HA PRO 38 HA PRO 38 14.244 16.938 -17.898 311 HB2 PRO 38 2HB PRO 38 13.292 19.241 -16.821 312 HB3 PRO 38 3HB PRO 38 14.209 18.051 -15.889 313 HG2 PRO 38 2HG PRO 38 15.143 20.606 -17.138 314 HG3 PRO 38 3HG PRO 38 15.522 19.938 -15.540 315 HD2 PRO 38 2HD PRO 38 17.221 19.744 -17.639 316 HD3 PRO 38 3HD PRO 38 17.113 18.498 -16.379 317 H ASP 39 H ASP 39 15.369 19.800 -19.555 318 HA ASP 39 HA ASP 39 12.897 20.565 -20.713 319 HB2 ASP 39 2HB ASP 39 15.776 21.162 -21.315 320 HB3 ASP 39 3HB ASP 39 14.515 21.679 -22.431 321 H GLN 40 H GLN 40 14.987 17.963 -21.313 322 HA GLN 40 HA GLN 40 13.959 17.599 -24.039 323 HB2 GLN 40 2HB GLN 40 16.182 16.101 -22.643 324 HB3 GLN 40 3HB GLN 40 15.738 15.971 -24.340 325 HG2 GLN 40 2HG GLN 40 16.864 18.405 -22.974 326 HG3 GLN 40 3HG GLN 40 17.722 17.326 -24.074 327 HE21 GLN 40 1HE2 GLN 40 15.690 20.034 -23.783 328 HE22 GLN 40 2HE2 GLN 40 15.451 20.334 -25.468 329 H GLN 41 H GLN 41 13.449 16.594 -20.870 330 HA GLN 41 HA GLN 41 12.470 13.948 -21.589 331 HB2 GLN 41 2HB GLN 41 13.485 15.141 -19.222 332 HB3 GLN 41 3HB GLN 41 11.825 14.662 -18.896 333 HG2 GLN 41 2HG GLN 41 12.479 12.400 -19.895 334 HG3 GLN 41 3HG GLN 41 14.143 12.950 -19.705 335 HE21 GLN 41 1HE2 GLN 41 14.423 14.040 -17.414 336 HE22 GLN 41 2HE2 GLN 41 13.887 13.053 -16.102 337 H ARG 42 H ARG 42 10.435 13.567 -22.141 338 HA ARG 42 HA ARG 42 8.369 15.499 -21.312 339 HB2 ARG 42 2HB ARG 42 9.177 14.832 -23.930 340 HB3 ARG 42 3HB ARG 42 7.616 14.058 -23.686 341 HG2 ARG 42 2HG ARG 42 6.573 16.136 -23.188 342 HG3 ARG 42 3HG ARG 42 8.129 16.966 -23.120 343 HD2 ARG 42 2HD ARG 42 8.077 17.346 -25.309 344 HD3 ARG 42 3HD ARG 42 7.844 15.631 -25.641 345 HE ARG 42 HE ARG 42 5.422 16.852 -24.800 346 HH11 ARG 42 1HH1 ARG 42 7.566 16.538 -27.525 347 HH12 ARG 42 2HH1 ARG 42 6.321 16.805 -28.701 348 HH21 ARG 42 1HH2 ARG 42 3.775 17.205 -26.338 349 HH22 ARG 42 2HH2 ARG 42 4.166 17.186 -28.025 350 H LEU 43 H LEU 43 7.178 14.549 -19.793 351 HA LEU 43 HA LEU 43 6.653 11.673 -19.957 352 HB2 LEU 43 2HB LEU 43 7.313 13.307 -17.845 353 HB3 LEU 43 3HB LEU 43 5.573 13.100 -17.654 354 HG LEU 43 HG LEU 43 6.886 10.568 -18.140 355 HD11 LEU 43 1HD1 LEU 43 7.983 10.501 -15.878 356 HD12 LEU 43 2HD1 LEU 43 7.876 12.260 -15.859 357 HD13 LEU 43 3HD1 LEU 43 8.825 11.448 -17.104 358 HD21 LEU 43 3HD2 LEU 43 5.106 11.762 -16.039 359 HD22 LEU 43 1HD2 LEU 43 5.756 10.130 -15.887 360 HD23 LEU 43 2HD2 LEU 43 4.721 10.542 -17.254 361 H ILE 44 H ILE 44 4.658 10.831 -20.264 362 HA ILE 44 HA ILE 44 2.353 12.645 -20.295 363 HB ILE 44 HB ILE 44 3.014 10.717 -22.525 364 HG12 ILE 44 2HG1 ILE 44 2.817 13.734 -22.590 365 HG13 ILE 44 3HG1 ILE 44 4.334 12.845 -22.497 366 HG21 ILE 44 1HG2 ILE 44 0.773 10.641 -22.694 367 HG22 ILE 44 2HG2 ILE 44 0.548 12.095 -21.722 368 HG23 ILE 44 3HG2 ILE 44 0.960 12.233 -23.431 369 HD11 ILE 44 3HD1 ILE 44 3.551 11.691 -24.647 370 HD12 ILE 44 1HD1 ILE 44 2.388 13.011 -24.760 371 HD13 ILE 44 2HD1 ILE 44 4.117 13.358 -24.747 372 H PHE 45 H PHE 45 0.407 11.716 -19.745 373 HA PHE 45 HA PHE 45 0.095 8.871 -19.512 374 HB2 PHE 45 2HB PHE 45 1.332 9.163 -17.481 375 HB3 PHE 45 3HB PHE 45 0.375 10.571 -17.032 376 HD1 PHE 45 HD2 PHE 45 0.078 6.923 -17.679 377 HD2 PHE 45 HD1 PHE 45 -1.458 10.329 -15.640 378 HE1 PHE 45 HE2 PHE 45 -1.454 5.471 -16.414 379 HE2 PHE 45 HE1 PHE 45 -2.991 8.883 -14.371 380 HZ PHE 45 HZ PHE 45 -2.992 6.450 -14.758 381 H ALA 46 H ALA 46 -2.030 8.267 -19.407 382 HA ALA 46 HA ALA 46 -4.294 8.443 -19.564 383 HB1 ALA 46 1HB ALA 46 -3.535 10.376 -17.520 384 HB2 ALA 46 2HB ALA 46 -5.054 10.772 -18.324 385 HB3 ALA 46 3HB ALA 46 -4.854 9.205 -17.541 386 H GLY 47 H GLY 47 -2.435 9.832 -21.484 387 HA2 GLY 47 2HA GLY 47 -2.838 10.868 -23.518 388 HA3 GLY 47 3HA GLY 47 -4.499 11.139 -23.012 389 H LYS 48 H LYS 48 -2.698 12.250 -20.532 390 HA LYS 48 HA LYS 48 -2.703 14.988 -21.615 391 HB2 LYS 48 2HB LYS 48 -3.808 13.892 -19.237 392 HB3 LYS 48 3HB LYS 48 -2.499 14.967 -18.765 393 HG2 LYS 48 2HG LYS 48 -3.656 16.796 -19.301 394 HG3 LYS 48 3HG LYS 48 -4.239 16.097 -20.813 395 HD2 LYS 48 2HD LYS 48 -6.215 15.616 -19.904 396 HD3 LYS 48 3HD LYS 48 -5.451 14.794 -18.542 397 HE2 LYS 48 2HE LYS 48 -5.208 16.861 -17.354 398 HE3 LYS 48 3HE LYS 48 -5.747 17.786 -18.755 399 HZ1 LYS 48 3HZ LYS 48 -7.654 15.808 -17.974 400 HZ2 LYS 48 1HZ LYS 48 -7.861 17.472 -18.202 401 HZ3 LYS 48 2HZ LYS 48 -7.319 16.884 -16.712 402 H GLN 49 H GLN 49 -0.864 16.139 -21.656 403 HA GLN 49 HA GLN 49 1.616 14.834 -21.116 404 HB2 GLN 49 2HB GLN 49 2.639 16.952 -21.838 405 HB3 GLN 49 3HB GLN 49 1.411 16.400 -22.969 406 HG2 GLN 49 2HG GLN 49 -0.169 17.966 -21.665 407 HG3 GLN 49 3HG GLN 49 1.317 18.694 -21.057 408 HE21 GLN 49 1HE2 GLN 49 1.279 20.611 -22.074 409 HE22 GLN 49 2HE2 GLN 49 1.286 20.813 -23.790 410 H LEU 50 H LEU 50 2.610 14.693 -19.227 411 HA LEU 50 HA LEU 50 1.723 15.827 -16.855 412 HB2 LEU 50 2HB LEU 50 3.944 14.228 -17.732 413 HB3 LEU 50 3HB LEU 50 4.485 15.426 -16.557 414 HG LEU 50 HG LEU 50 3.966 13.333 -15.456 415 HD11 LEU 50 1HD1 LEU 50 2.059 15.596 -14.929 416 HD12 LEU 50 2HD1 LEU 50 3.573 15.227 -14.105 417 HD13 LEU 50 3HD1 LEU 50 2.173 14.177 -13.888 418 HD21 LEU 50 3HD2 LEU 50 2.401 12.079 -16.454 419 HD22 LEU 50 1HD2 LEU 50 1.589 13.477 -17.157 420 HD23 LEU 50 2HD2 LEU 50 1.256 13.013 -15.489 421 H GLU 51 H GLU 51 1.600 17.915 -16.376 422 HA GLU 51 HA GLU 51 3.394 19.841 -17.566 423 HB2 GLU 51 2HB GLU 51 0.819 20.030 -16.890 424 HB3 GLU 51 3HB GLU 51 1.520 20.614 -15.387 425 HG2 GLU 51 2HG GLU 51 2.915 22.130 -17.032 426 HG3 GLU 51 3HG GLU 51 1.538 21.833 -18.092 427 H ASP 52 H ASP 52 5.118 20.777 -16.648 428 HA ASP 52 HA ASP 52 6.314 19.676 -14.357 429 HB2 ASP 52 2HB ASP 52 7.949 21.501 -14.559 430 HB3 ASP 52 3HB ASP 52 7.613 20.766 -16.124 431 H GLY 53 H GLY 53 4.041 22.256 -14.760 432 HA2 GLY 53 2HA GLY 53 4.536 23.373 -12.125 433 HA3 GLY 53 3HA GLY 53 3.319 23.907 -13.274 434 H ARG 54 H ARG 54 3.094 20.617 -13.069 435 HA ARG 54 HA ARG 54 0.869 20.830 -11.164 436 HB2 ARG 54 2HB ARG 54 0.689 19.935 -13.639 437 HB3 ARG 54 3HB ARG 54 1.277 18.444 -12.916 438 HG2 ARG 54 2HG ARG 54 -0.754 17.956 -12.192 439 HG3 ARG 54 3HG ARG 54 -0.838 19.482 -11.309 440 HD2 ARG 54 2HD ARG 54 -1.573 20.607 -13.370 441 HD3 ARG 54 3HD ARG 54 -1.533 19.059 -14.213 442 HE ARG 54 HE ARG 54 -3.177 18.902 -11.913 443 HH11 ARG 54 1HH1 ARG 54 -3.097 20.173 -15.153 444 HH12 ARG 54 2HH1 ARG 54 -4.816 20.122 -15.355 445 HH21 ARG 54 1HH2 ARG 54 -5.443 18.830 -12.167 446 HH22 ARG 54 2HH2 ARG 54 -6.150 19.359 -13.656 447 H THR 55 H THR 55 0.469 18.968 -9.748 448 HA THR 55 HA THR 55 3.008 17.816 -8.800 449 HB THR 55 HB THR 55 2.204 17.823 -6.609 450 HG1 THR 55 HG1 THR 55 -0.310 18.595 -6.682 451 HG21 THR 55 3HG2 THR 55 0.810 20.248 -7.729 452 HG22 THR 55 1HG2 THR 55 2.565 20.123 -7.612 453 HG23 THR 55 2HG2 THR 55 1.578 20.065 -6.152 454 H LEU 56 H LEU 56 2.848 15.662 -7.773 455 HA LEU 56 HA LEU 56 1.791 13.756 -9.509 456 HB2 LEU 56 2HB LEU 56 2.790 13.640 -6.690 457 HB3 LEU 56 3HB LEU 56 2.111 12.207 -7.458 458 HG LEU 56 HG LEU 56 4.520 12.155 -7.594 459 HD11 LEU 56 1HD1 LEU 56 4.260 12.748 -10.367 460 HD12 LEU 56 2HD1 LEU 56 2.765 12.006 -9.801 461 HD13 LEU 56 3HD1 LEU 56 4.303 11.177 -9.568 462 HD21 LEU 56 3HD2 LEU 56 5.838 13.839 -8.592 463 HD22 LEU 56 1HD2 LEU 56 4.749 14.675 -7.485 464 HD23 LEU 56 2HD2 LEU 56 4.422 14.685 -9.218 465 H SER 57 H SER 57 0.597 14.759 -6.306 466 HA SER 57 HA SER 57 -1.694 13.121 -6.325 467 HB2 SER 57 2HB SER 57 -0.983 13.986 -4.225 468 HB3 SER 57 3HB SER 57 -1.014 15.647 -4.817 469 HG SER 57 HG SER 57 -3.394 14.202 -4.920 470 H ASP 58 H ASP 58 -1.016 16.221 -7.735 471 HA ASP 58 HA ASP 58 -3.672 17.106 -8.114 472 HB2 ASP 58 2HB ASP 58 -0.997 17.858 -9.098 473 HB3 ASP 58 3HB ASP 58 -2.324 18.250 -10.188 474 H TYR 59 H TYR 59 -1.672 14.832 -9.807 475 HA TYR 59 HA TYR 59 -3.283 14.795 -12.193 476 HB2 TYR 59 2HB TYR 59 -0.739 13.809 -11.422 477 HB3 TYR 59 3HB TYR 59 -1.701 12.422 -11.921 478 HD1 TYR 59 HD1 TYR 59 -0.532 15.769 -13.030 479 HD2 TYR 59 HD2 TYR 59 -2.068 11.977 -14.198 480 HE1 TYR 59 HE1 TYR 59 -0.098 16.326 -15.386 481 HE2 TYR 59 HE2 TYR 59 -1.637 12.522 -16.557 482 HH TYR 59 HH TYR 59 -0.593 15.719 -17.542 483 H ASN 60 H ASN 60 -3.529 13.450 -9.099 484 HA ASN 60 HA ASN 60 -5.015 12.014 -8.147 485 HB2 ASN 60 2HB ASN 60 -6.411 13.183 -10.226 486 HB3 ASN 60 3HB ASN 60 -6.634 11.460 -10.519 487 HD21 ASN 60 1HD2 ASN 60 -6.689 10.472 -7.970 488 HD22 ASN 60 2HD2 ASN 60 -8.079 11.079 -7.142 489 H ILE 61 H ILE 61 -2.634 11.045 -9.490 490 HA ILE 61 HA ILE 61 -3.338 8.558 -10.770 491 HB ILE 61 HB ILE 61 -0.884 8.117 -10.716 492 HG12 ILE 61 2HG1 ILE 61 -0.792 10.866 -9.454 493 HG13 ILE 61 3HG1 ILE 61 -0.339 9.354 -8.675 494 HG21 ILE 61 1HG2 ILE 61 -2.325 10.049 -12.198 495 HG22 ILE 61 2HG2 ILE 61 -0.710 10.693 -11.909 496 HG23 ILE 61 3HG2 ILE 61 -0.907 9.125 -12.692 497 HD11 ILE 61 3HD1 ILE 61 1.155 11.037 -10.544 498 HD12 ILE 61 1HD1 ILE 61 1.728 9.940 -9.289 499 HD13 ILE 61 2HD1 ILE 61 1.251 9.306 -10.864 500 H GLN 62 H GLN 62 -3.791 6.723 -9.762 501 HA GLN 62 HA GLN 62 -3.561 6.496 -6.915 502 HB2 GLN 62 2HB GLN 62 -4.884 5.069 -9.069 503 HB3 GLN 62 3HB GLN 62 -4.151 3.962 -7.915 504 HG2 GLN 62 2HG GLN 62 -5.447 4.760 -6.147 505 HG3 GLN 62 3HG GLN 62 -5.888 6.229 -7.016 506 HE21 GLN 62 1HE2 GLN 62 -8.006 5.309 -6.115 507 HE22 GLN 62 2HE2 GLN 62 -8.904 4.305 -7.196 508 H LYS 63 H LYS 63 -2.747 4.194 -6.127 509 HA LYS 63 HA LYS 63 0.075 4.208 -6.536 510 HB2 LYS 63 2HB LYS 63 -1.462 2.014 -5.162 511 HB3 LYS 63 3HB LYS 63 0.182 2.555 -4.849 512 HG2 LYS 63 2HG LYS 63 -2.320 4.131 -4.276 513 HG3 LYS 63 3HG LYS 63 -1.359 3.247 -3.088 514 HD2 LYS 63 2HD LYS 63 0.356 4.769 -3.142 515 HD3 LYS 63 3HD LYS 63 0.008 5.264 -4.800 516 HE2 LYS 63 2HE LYS 63 -0.533 7.047 -3.234 517 HE3 LYS 63 3HE LYS 63 -1.990 6.446 -4.024 518 HZ1 LYS 63 3HZ LYS 63 -1.445 6.602 -1.283 519 HZ2 LYS 63 1HZ LYS 63 -1.591 4.965 -1.686 520 HZ3 LYS 63 2HZ LYS 63 -2.848 6.039 -2.041 521 H GLU 64 H GLU 64 1.376 2.759 -7.599 522 HA GLU 64 HA GLU 64 1.993 1.061 -9.001 523 HB2 GLU 64 2HB GLU 64 -0.204 -0.011 -7.716 524 HB3 GLU 64 3HB GLU 64 -0.636 -0.148 -9.414 525 HG2 GLU 64 2HG GLU 64 2.046 -0.991 -9.161 526 HG3 GLU 64 3HG GLU 64 1.121 -1.769 -7.878 527 H SER 65 H SER 65 0.951 3.645 -9.842 528 HA SER 65 HA SER 65 -0.564 3.191 -12.253 529 HB2 SER 65 2HB SER 65 -0.068 5.397 -10.593 530 HB3 SER 65 3HB SER 65 0.700 5.792 -12.131 531 HG SER 65 HG SER 65 -1.239 5.559 -13.158 532 H THR 66 H THR 66 0.162 3.583 -14.381 533 HA THR 66 HA THR 66 3.075 3.281 -14.716 534 HB THR 66 HB THR 66 1.471 2.520 -17.033 535 HG1 THR 66 HG1 THR 66 1.279 0.782 -14.805 536 HG21 THR 66 3HG2 THR 66 3.861 1.680 -15.577 537 HG22 THR 66 1HG2 THR 66 3.497 1.591 -17.299 538 HG23 THR 66 2HG2 THR 66 2.915 0.333 -16.209 539 H LEU 67 H LEU 67 4.094 4.903 -15.682 540 HA LEU 67 HA LEU 67 2.515 6.778 -17.315 541 HB2 LEU 67 2HB LEU 67 5.163 7.460 -16.106 542 HB3 LEU 67 3HB LEU 67 3.858 8.534 -16.605 543 HG LEU 67 HG LEU 67 3.692 6.702 -14.217 544 HD11 LEU 67 1HD1 LEU 67 4.620 8.256 -12.880 545 HD12 LEU 67 2HD1 LEU 67 3.984 9.604 -13.822 546 HD13 LEU 67 3HD1 LEU 67 5.432 8.755 -14.364 547 HD21 LEU 67 3HD2 LEU 67 2.035 8.919 -13.926 548 HD22 LEU 67 1HD2 LEU 67 1.544 7.267 -14.300 549 HD23 LEU 67 2HD2 LEU 67 1.831 8.418 -15.605 550 H HIS 68 H HIS 68 3.397 7.571 -19.248 551 HA HIS 68 HA HIS 68 5.216 5.720 -20.547 552 HB2 HIS 68 2HB HIS 68 3.090 7.456 -21.382 553 HB3 HIS 68 3HB HIS 68 4.546 7.845 -22.295 554 HD1 HIS 68 HD1 HIS 68 1.776 6.205 -23.105 555 HD2 HIS 68 HD2 HIS 68 5.663 4.785 -22.730 556 HE1 HIS 68 HE1 HIS 68 1.868 4.119 -24.506 557 H LEU 69 H LEU 69 7.223 6.208 -21.352 558 HA LEU 69 HA LEU 69 8.307 8.860 -20.663 559 HB2 LEU 69 2HB LEU 69 9.011 6.676 -19.334 560 HB3 LEU 69 3HB LEU 69 10.095 6.487 -20.711 561 HG LEU 69 HG LEU 69 10.018 8.819 -18.798 562 HD11 LEU 69 1HD1 LEU 69 11.065 7.071 -17.670 563 HD12 LEU 69 2HD1 LEU 69 12.402 7.958 -18.400 564 HD13 LEU 69 3HD1 LEU 69 11.834 6.459 -19.134 565 HD21 LEU 69 3HD2 LEU 69 12.299 9.130 -20.175 566 HD22 LEU 69 1HD2 LEU 69 10.782 9.910 -20.624 567 HD23 LEU 69 2HD2 LEU 69 11.286 8.428 -21.437 568 H VAL 70 H VAL 70 9.251 9.930 -22.279 569 HA VAL 70 HA VAL 70 9.748 8.478 -24.789 570 HB VAL 70 HB VAL 70 9.471 10.547 -25.966 571 HG11 VAL 70 1HG1 VAL 70 7.428 9.328 -25.300 572 HG12 VAL 70 2HG1 VAL 70 7.307 10.360 -23.874 573 HG13 VAL 70 3HG1 VAL 70 7.161 11.061 -25.486 574 HG21 VAL 70 3HG2 VAL 70 9.623 11.749 -23.236 575 HG22 VAL 70 1HG2 VAL 70 10.450 12.222 -24.721 576 HG23 VAL 70 2HG2 VAL 70 8.737 12.586 -24.510 577 H LEU 71 H LEU 71 11.618 9.015 -26.039 578 HA LEU 71 HA LEU 71 13.841 10.051 -24.406 579 HB2 LEU 71 2HB LEU 71 14.076 7.682 -24.852 580 HB3 LEU 71 3HB LEU 71 13.864 7.961 -26.579 581 HG LEU 71 HG LEU 71 16.125 9.360 -25.279 582 HD11 LEU 71 1HD1 LEU 71 17.425 7.565 -24.826 583 HD12 LEU 71 2HD1 LEU 71 16.655 6.556 -26.050 584 HD13 LEU 71 3HD1 LEU 71 15.860 6.821 -24.498 585 HD21 LEU 71 3HD2 LEU 71 16.225 7.724 -27.773 586 HD22 LEU 71 1HD2 LEU 71 17.088 9.207 -27.363 587 HD23 LEU 71 2HD2 LEU 71 15.375 9.270 -27.779 588 H ARG 72 H ARG 72 15.524 11.200 -25.524 589 HA ARG 72 HA ARG 72 14.579 12.481 -28.005 590 HB2 ARG 72 2HB ARG 72 15.465 13.609 -25.491 591 HB3 ARG 72 3HB ARG 72 16.464 14.179 -26.821 592 HG2 ARG 72 2HG ARG 72 13.463 14.279 -26.886 593 HG3 ARG 72 3HG ARG 72 14.455 15.588 -26.242 594 HD2 ARG 72 2HD ARG 72 15.318 16.131 -28.305 595 HD3 ARG 72 3HD ARG 72 15.057 14.513 -28.956 596 HE ARG 72 HE ARG 72 13.000 15.191 -29.666 597 HH11 ARG 72 1HH1 ARG 72 14.087 17.362 -27.170 598 HH12 ARG 72 2HH1 ARG 72 12.747 18.446 -27.349 599 HH21 ARG 72 1HH2 ARG 72 11.232 16.611 -29.911 600 HH22 ARG 72 2HH2 ARG 72 11.124 18.018 -28.907 601 H LEU 73 H LEU 73 15.738 11.873 -29.701 602 HA LEU 73 HA LEU 73 18.457 10.898 -29.346 603 HB2 LEU 73 2HB LEU 73 16.377 10.705 -31.441 604 HB3 LEU 73 3HB LEU 73 18.053 10.673 -31.984 605 HG LEU 73 HG LEU 73 16.967 8.788 -29.902 606 HD11 LEU 73 1HD1 LEU 73 17.464 7.624 -32.500 607 HD12 LEU 73 2HD1 LEU 73 16.199 8.851 -32.568 608 HD13 LEU 73 3HD1 LEU 73 16.050 7.491 -31.455 609 HD21 LEU 73 3HD2 LEU 73 19.303 8.842 -29.766 610 HD22 LEU 73 1HD2 LEU 73 19.492 8.966 -31.516 611 HD23 LEU 73 2HD2 LEU 73 18.957 7.449 -30.792 612 H ARG 74 H ARG 74 20.233 11.681 -30.585 613 HA ARG 74 HA ARG 74 19.916 14.482 -31.449 614 HB2 ARG 74 2HB ARG 74 22.376 13.191 -30.255 615 HB3 ARG 74 3HB ARG 74 22.212 14.877 -30.727 616 HG2 ARG 74 2HG ARG 74 20.583 15.257 -29.001 617 HG3 ARG 74 3HG ARG 74 20.572 13.542 -28.586 618 HD2 ARG 74 2HD ARG 74 23.216 14.831 -28.542 619 HD3 ARG 74 3HD ARG 74 22.075 15.415 -27.331 620 HE ARG 74 HE ARG 74 23.337 12.828 -27.427 621 HH11 ARG 74 1HH1 ARG 74 20.652 14.679 -26.209 622 HH12 ARG 74 2HH1 ARG 74 20.356 13.616 -24.873 623 HH21 ARG 74 1HH2 ARG 74 22.957 11.420 -25.673 624 HH22 ARG 74 2HH2 ARG 74 21.669 11.763 -24.569 625 H GLY 75 H GLY 75 20.003 14.605 -33.593 626 HA2 GLY 75 2HA GLY 75 21.695 14.549 -35.433 627 HA3 GLY 75 3HA GLY 75 21.929 12.861 -35.003 628 H GLY 76 H GLY 76 20.203 15.045 -36.931 629 HA2 GLY 76 2HA GLY 76 19.048 13.110 -38.553 630 HA3 GLY 76 3HA GLY 76 17.829 13.554 -37.368 Start of MODEL 9 1 H1 GLY 0 H GLY 0 3.826 1.585 1.042 2 HA2 GLY 0 2HA GLY 0 5.089 3.514 1.032 3 HA3 GLY 0 3HA GLY 0 6.312 2.648 0.113 4 H MET 1 H MET 1 3.250 2.454 -1.306 5 HA MET 1 HA MET 1 2.357 3.326 -3.207 6 HB2 MET 1 2HB MET 1 3.808 5.874 -2.493 7 HB3 MET 1 3HB MET 1 2.354 5.707 -3.468 8 HG2 MET 1 2HG MET 1 1.751 4.536 -1.001 9 HG3 MET 1 3HG MET 1 2.624 6.022 -0.633 10 HE1 MET 1 3HE MET 1 0.051 8.290 -0.265 11 HE2 MET 1 1HE MET 1 -0.524 6.761 0.398 12 HE3 MET 1 2HE MET 1 1.191 7.165 0.473 13 H GLN 2 H GLN 2 4.060 1.784 -4.119 14 HA GLN 2 HA GLN 2 6.287 3.074 -5.452 15 HB2 GLN 2 2HB GLN 2 6.991 0.897 -6.083 16 HB3 GLN 2 3HB GLN 2 6.397 0.763 -4.433 17 HG2 GLN 2 2HG GLN 2 4.149 0.149 -5.698 18 HG3 GLN 2 3HG GLN 2 5.292 -0.341 -6.948 19 HE21 GLN 2 1HE2 GLN 2 4.435 -2.481 -6.553 20 HE22 GLN 2 2HE2 GLN 2 5.070 -3.422 -5.251 21 H ILE 3 H ILE 3 6.537 3.311 -7.663 22 HA ILE 3 HA ILE 3 4.143 2.818 -9.304 23 HB ILE 3 HB ILE 3 4.432 4.898 -10.463 24 HG12 ILE 3 2HG1 ILE 3 6.333 6.318 -8.944 25 HG13 ILE 3 3HG1 ILE 3 7.076 4.766 -9.319 26 HG21 ILE 3 1HG2 ILE 3 3.598 6.317 -8.855 27 HG22 ILE 3 2HG2 ILE 3 3.352 4.747 -8.091 28 HG23 ILE 3 3HG2 ILE 3 4.722 5.751 -7.619 29 HD11 ILE 3 3HD1 ILE 3 5.867 6.636 -11.342 30 HD12 ILE 3 1HD1 ILE 3 7.587 6.499 -10.978 31 HD13 ILE 3 2HD1 ILE 3 6.720 5.130 -11.676 32 H PHE 4 H PHE 4 4.583 2.719 -11.636 33 HA PHE 4 HA PHE 4 7.325 1.821 -12.224 34 HB2 PHE 4 2HB PHE 4 4.807 0.372 -12.468 35 HB3 PHE 4 3HB PHE 4 5.700 0.419 -13.984 36 HD1 PHE 4 HD2 PHE 4 8.317 -0.060 -13.660 37 HD2 PHE 4 HD1 PHE 4 5.211 -1.393 -11.073 38 HE1 PHE 4 HE2 PHE 4 9.769 -1.878 -12.860 39 HE2 PHE 4 HE1 PHE 4 6.659 -3.213 -10.268 40 HZ PHE 4 HZ PHE 4 8.940 -3.458 -11.163 41 H VAL 5 H VAL 5 8.257 2.825 -13.880 42 HA VAL 5 HA VAL 5 6.573 4.467 -15.640 43 HB VAL 5 HB VAL 5 9.566 4.661 -15.333 44 HG11 VAL 5 1HG1 VAL 5 8.983 7.051 -16.095 45 HG12 VAL 5 2HG1 VAL 5 8.951 5.757 -17.295 46 HG13 VAL 5 3HG1 VAL 5 7.444 6.356 -16.601 47 HG21 VAL 5 3HG2 VAL 5 7.399 6.095 -13.805 48 HG22 VAL 5 1HG2 VAL 5 8.661 5.050 -13.153 49 HG23 VAL 5 2HG2 VAL 5 9.083 6.614 -13.851 50 H LYS 6 H LYS 6 6.357 3.978 -17.725 51 HA LYS 6 HA LYS 6 7.980 1.791 -18.812 52 HB2 LYS 6 2HB LYS 6 5.375 1.849 -18.802 53 HB3 LYS 6 3HB LYS 6 5.563 2.942 -20.167 54 HG2 LYS 6 2HG LYS 6 6.435 1.306 -21.532 55 HG3 LYS 6 3HG LYS 6 6.979 0.316 -20.175 56 HD2 LYS 6 2HD LYS 6 4.866 -0.549 -19.792 57 HD3 LYS 6 3HD LYS 6 4.057 0.803 -20.590 58 HE2 LYS 6 2HE LYS 6 3.898 -0.468 -22.407 59 HE3 LYS 6 3HE LYS 6 5.651 -0.362 -22.561 60 HZ1 LYS 6 3HZ LYS 6 4.155 -2.634 -22.114 61 HZ2 LYS 6 1HZ LYS 6 4.933 -2.323 -20.645 62 HZ3 LYS 6 2HZ LYS 6 5.840 -2.498 -22.061 63 H THR 7 H THR 7 9.300 2.042 -20.532 64 HA THR 7 HA THR 7 9.578 4.767 -21.602 65 HB THR 7 HB THR 7 11.809 3.434 -22.469 66 HG1 THR 7 HG1 THR 7 12.506 2.414 -20.394 67 HG21 THR 7 3HG2 THR 7 11.697 5.659 -21.403 68 HG22 THR 7 1HG2 THR 7 13.003 4.669 -20.752 69 HG23 THR 7 2HG2 THR 7 11.512 4.879 -19.833 70 H LEU 8 H LEU 8 10.558 4.752 -23.904 71 HA LEU 8 HA LEU 8 8.692 3.325 -25.584 72 HB2 LEU 8 2HB LEU 8 9.798 5.774 -25.751 73 HB3 LEU 8 3HB LEU 8 10.885 4.876 -26.809 74 HG LEU 8 HG LEU 8 8.374 4.127 -27.684 75 HD11 LEU 8 1HD1 LEU 8 8.027 6.993 -27.841 76 HD12 LEU 8 2HD1 LEU 8 7.959 6.418 -26.175 77 HD13 LEU 8 3HD1 LEU 8 6.873 5.738 -27.387 78 HD21 LEU 8 3HD2 LEU 8 10.583 5.845 -28.598 79 HD22 LEU 8 1HD2 LEU 8 9.035 6.099 -29.405 80 HD23 LEU 8 2HD2 LEU 8 9.778 4.499 -29.405 81 H THR 9 H THR 9 11.484 2.424 -24.193 82 HA THR 9 HA THR 9 12.580 1.014 -26.508 83 HB THR 9 HB THR 9 14.159 2.175 -25.007 84 HG1 THR 9 HG1 THR 9 15.325 0.000 -24.476 85 HG21 THR 9 3HG2 THR 9 14.142 1.961 -22.780 86 HG22 THR 9 1HG2 THR 9 14.066 0.202 -22.872 87 HG23 THR 9 2HG2 THR 9 12.585 1.156 -22.972 88 H GLY 10 H GLY 10 10.254 0.487 -24.222 89 HA2 GLY 10 2HA GLY 10 9.003 -1.494 -24.029 90 HA3 GLY 10 3HA GLY 10 10.366 -2.393 -24.681 91 H LYS 11 H LYS 11 11.444 -0.287 -22.328 92 HA LYS 11 HA LYS 11 11.535 -2.471 -20.364 93 HB2 LYS 11 2HB LYS 11 13.614 -1.125 -21.364 94 HB3 LYS 11 3HB LYS 11 13.212 -0.032 -20.047 95 HG2 LYS 11 2HG LYS 11 13.656 -1.638 -18.416 96 HG3 LYS 11 3HG LYS 11 13.571 -2.968 -19.574 97 HD2 LYS 11 2HD LYS 11 15.593 -1.745 -20.688 98 HD3 LYS 11 3HD LYS 11 15.770 -0.999 -19.098 99 HE2 LYS 11 2HE LYS 11 15.407 -3.674 -18.522 100 HE3 LYS 11 3HE LYS 11 16.399 -3.701 -19.979 101 HZ1 LYS 11 3HZ LYS 11 17.012 -2.359 -17.407 102 HZ2 LYS 11 1HZ LYS 11 17.896 -2.092 -18.825 103 HZ3 LYS 11 2HZ LYS 11 17.854 -3.635 -18.132 104 H THR 12 H THR 12 11.332 -1.926 -18.090 105 HA THR 12 HA THR 12 9.794 0.523 -17.566 106 HB THR 12 HB THR 12 8.151 -1.258 -17.790 107 HG1 THR 12 HG1 THR 12 7.128 -0.513 -16.087 108 HG21 THR 12 3HG2 THR 12 8.630 -2.875 -15.537 109 HG22 THR 12 1HG2 THR 12 10.151 -2.799 -16.425 110 HG23 THR 12 2HG2 THR 12 8.684 -3.349 -17.234 111 H ILE 13 H ILE 13 10.200 1.502 -15.640 112 HA ILE 13 HA ILE 13 12.126 0.163 -13.853 113 HB ILE 13 HB ILE 13 13.126 2.066 -15.073 114 HG12 ILE 13 2HG1 ILE 13 12.820 2.886 -12.197 115 HG13 ILE 13 3HG1 ILE 13 13.646 1.391 -12.620 116 HG21 ILE 13 1HG2 ILE 13 11.080 3.399 -15.323 117 HG22 ILE 13 2HG2 ILE 13 11.098 3.736 -13.593 118 HG23 ILE 13 3HG2 ILE 13 12.397 4.339 -14.623 119 HD11 ILE 13 3HD1 ILE 13 14.465 4.206 -13.065 120 HD12 ILE 13 1HD1 ILE 13 15.411 2.822 -12.518 121 HD13 ILE 13 2HD1 ILE 13 14.989 2.984 -14.223 122 H THR 14 H THR 14 11.934 0.550 -11.615 123 HA THR 14 HA THR 14 9.239 1.405 -10.798 124 HB THR 14 HB THR 14 9.814 -0.945 -10.275 125 HG1 THR 14 HG1 THR 14 9.755 0.313 -7.775 126 HG21 THR 14 3HG2 THR 14 12.303 -0.200 -9.821 127 HG22 THR 14 1HG2 THR 14 11.604 -1.585 -8.984 128 HG23 THR 14 2HG2 THR 14 11.713 -0.025 -8.169 129 H LEU 15 H LEU 15 8.964 2.989 -9.314 130 HA LEU 15 HA LEU 15 11.267 3.986 -7.824 131 HB2 LEU 15 2HB LEU 15 10.631 5.191 -10.159 132 HB3 LEU 15 3HB LEU 15 9.607 6.093 -9.043 133 HG LEU 15 HG LEU 15 11.663 6.602 -7.706 134 HD11 LEU 15 1HD1 LEU 15 13.815 6.197 -8.569 135 HD12 LEU 15 2HD1 LEU 15 13.180 5.677 -10.129 136 HD13 LEU 15 3HD1 LEU 15 12.954 4.663 -8.704 137 HD21 LEU 15 3HD2 LEU 15 12.483 8.315 -9.268 138 HD22 LEU 15 1HD2 LEU 15 10.721 8.239 -9.227 139 HD23 LEU 15 2HD2 LEU 15 11.603 7.525 -10.577 140 H GLU 16 H GLU 16 10.515 5.830 -6.318 141 HA GLU 16 HA GLU 16 7.771 5.332 -5.388 142 HB2 GLU 16 2HB GLU 16 10.219 5.503 -3.621 143 HB3 GLU 16 3HB GLU 16 8.559 5.350 -3.061 144 HG2 GLU 16 2HG GLU 16 8.441 3.148 -3.563 145 HG3 GLU 16 3HG GLU 16 9.523 3.290 -4.946 146 H VAL 17 H VAL 17 6.685 7.083 -4.587 147 HA VAL 17 HA VAL 17 8.104 9.585 -4.140 148 HB VAL 17 HB VAL 17 6.548 10.847 -5.619 149 HG11 VAL 17 1HG1 VAL 17 8.862 10.199 -6.289 150 HG12 VAL 17 2HG1 VAL 17 8.175 8.804 -7.123 151 HG13 VAL 17 3HG1 VAL 17 7.758 10.437 -7.643 152 HG21 VAL 17 3HG2 VAL 17 5.733 8.067 -6.418 153 HG22 VAL 17 1HG2 VAL 17 4.711 9.406 -5.895 154 HG23 VAL 17 2HG2 VAL 17 5.492 9.457 -7.476 155 H GLU 18 H GLU 18 6.320 11.357 -3.649 156 HA GLU 18 HA GLU 18 4.268 10.111 -1.941 157 HB2 GLU 18 2HB GLU 18 6.348 12.105 -1.286 158 HB3 GLU 18 3HB GLU 18 4.743 12.450 -0.657 159 HG2 GLU 18 2HG GLU 18 5.322 9.714 -0.167 160 HG3 GLU 18 3HG GLU 18 6.696 10.682 0.364 161 HA PRO 19 HA PRO 19 1.246 12.768 -3.683 162 HB2 PRO 19 2HB PRO 19 -0.182 13.612 -1.533 163 HB3 PRO 19 3HB PRO 19 -0.257 11.956 -2.146 164 HG2 PRO 19 2HG PRO 19 1.307 13.054 0.159 165 HG3 PRO 19 3HG PRO 19 0.379 11.546 0.053 166 HD2 PRO 19 2HD PRO 19 3.074 11.619 -0.199 167 HD3 PRO 19 3HD PRO 19 2.066 10.439 -1.061 168 H SER 20 H SER 20 3.046 14.147 -0.982 169 HA SER 20 HA SER 20 2.369 16.861 -1.746 170 HB2 SER 20 2HB SER 20 3.300 17.531 0.264 171 HB3 SER 20 3HB SER 20 2.806 15.887 0.665 172 HG SER 20 HG SER 20 4.898 16.078 1.326 173 H ASP 21 H ASP 21 4.366 14.660 -3.024 174 HA ASP 21 HA ASP 21 6.704 16.339 -3.389 175 HB2 ASP 21 2HB ASP 21 6.446 13.660 -3.264 176 HB3 ASP 21 3HB ASP 21 6.369 13.878 -5.010 177 H THR 22 H THR 22 7.176 17.532 -5.144 178 HA THR 22 HA THR 22 5.157 17.623 -7.280 179 HB THR 22 HB THR 22 5.585 19.732 -6.011 180 HG1 THR 22 HG1 THR 22 6.192 20.886 -8.159 181 HG21 THR 22 3HG2 THR 22 8.119 19.179 -5.882 182 HG22 THR 22 1HG2 THR 22 7.618 20.858 -6.074 183 HG23 THR 22 2HG2 THR 22 8.194 19.946 -7.469 184 H ILE 23 H ILE 23 5.792 17.718 -9.462 185 HA ILE 23 HA ILE 23 7.783 15.977 -10.267 186 HB ILE 23 HB ILE 23 6.624 18.282 -11.839 187 HG12 ILE 23 2HG1 ILE 23 4.893 16.772 -11.062 188 HG13 ILE 23 3HG1 ILE 23 5.142 16.524 -12.787 189 HG21 ILE 23 1HG2 ILE 23 8.255 17.754 -13.287 190 HG22 ILE 23 2HG2 ILE 23 8.581 16.206 -12.508 191 HG23 ILE 23 3HG2 ILE 23 7.248 16.354 -13.653 192 HD11 ILE 23 3HD1 ILE 23 6.754 14.637 -11.973 193 HD12 ILE 23 1HD1 ILE 23 5.789 14.738 -10.501 194 HD13 ILE 23 2HD1 ILE 23 5.012 14.370 -12.041 195 H GLU 24 H GLU 24 8.038 19.286 -9.333 196 HA GLU 24 HA GLU 24 10.484 19.881 -10.664 197 HB2 GLU 24 2HB GLU 24 8.701 21.461 -9.552 198 HB3 GLU 24 3HB GLU 24 9.687 21.229 -8.115 199 HG2 GLU 24 2HG GLU 24 10.847 22.976 -8.861 200 HG3 GLU 24 3HG GLU 24 11.572 21.829 -9.986 201 H ASN 25 H ASN 25 9.659 18.671 -7.449 202 HA ASN 25 HA ASN 25 12.412 18.627 -6.588 203 HB2 ASN 25 2HB ASN 25 9.773 18.010 -5.383 204 HB3 ASN 25 3HB ASN 25 11.155 17.138 -4.726 205 HD21 ASN 25 1HD2 ASN 25 9.865 20.337 -5.389 206 HD22 ASN 25 2HD2 ASN 25 10.767 21.157 -4.165 207 H VAL 26 H VAL 26 10.218 16.487 -8.168 208 HA VAL 26 HA VAL 26 11.581 14.054 -7.507 209 HB VAL 26 HB VAL 26 9.578 14.670 -9.682 210 HG11 VAL 26 1HG1 VAL 26 10.194 12.736 -10.600 211 HG12 VAL 26 2HG1 VAL 26 11.241 12.340 -9.236 212 HG13 VAL 26 3HG1 VAL 26 9.523 11.946 -9.173 213 HG21 VAL 26 3HG2 VAL 26 8.247 13.084 -8.037 214 HG22 VAL 26 1HG2 VAL 26 9.392 13.737 -6.866 215 HG23 VAL 26 2HG2 VAL 26 8.337 14.824 -7.769 216 H LYS 27 H LYS 27 11.607 16.299 -10.233 217 HA LYS 27 HA LYS 27 13.203 14.796 -11.978 218 HB2 LYS 27 2HB LYS 27 13.748 16.999 -13.023 219 HB3 LYS 27 3HB LYS 27 12.026 16.722 -12.797 220 HG2 LYS 27 2HG LYS 27 11.943 18.204 -10.946 221 HG3 LYS 27 3HG LYS 27 13.703 18.311 -10.873 222 HD2 LYS 27 2HD LYS 27 13.500 19.222 -13.291 223 HD3 LYS 27 3HD LYS 27 11.813 19.513 -12.863 224 HE2 LYS 27 2HE LYS 27 12.648 21.503 -12.183 225 HE3 LYS 27 3HE LYS 27 12.998 20.588 -10.717 226 HZ1 LYS 27 3HZ LYS 27 15.230 20.381 -11.292 227 HZ2 LYS 27 1HZ LYS 27 14.861 21.977 -11.717 228 HZ3 LYS 27 2HZ LYS 27 14.964 20.786 -12.913 229 H ALA 28 H ALA 28 14.034 16.913 -9.302 230 HA ALA 28 HA ALA 28 16.784 17.169 -9.802 231 HB1 ALA 28 1HB ALA 28 15.413 17.139 -7.116 232 HB2 ALA 28 2HB ALA 28 16.987 17.841 -7.493 233 HB3 ALA 28 3HB ALA 28 15.522 18.541 -8.181 234 H LYS 29 H LYS 29 14.925 14.680 -8.140 235 HA LYS 29 HA LYS 29 17.147 13.274 -7.078 236 HB2 LYS 29 2HB LYS 29 14.797 13.046 -6.271 237 HB3 LYS 29 3HB LYS 29 14.409 12.187 -7.755 238 HG2 LYS 29 2HG LYS 29 15.994 10.433 -7.168 239 HG3 LYS 29 3HG LYS 29 16.413 11.300 -5.689 240 HD2 LYS 29 2HD LYS 29 14.414 10.804 -4.671 241 HD3 LYS 29 3HD LYS 29 13.552 10.641 -6.203 242 HE2 LYS 29 2HE LYS 29 13.722 8.437 -5.867 243 HE3 LYS 29 3HE LYS 29 15.408 8.627 -6.343 244 HZ1 LYS 29 3HZ LYS 29 15.830 7.733 -4.355 245 HZ2 LYS 29 1HZ LYS 29 14.284 8.058 -3.751 246 HZ3 LYS 29 2HZ LYS 29 15.471 9.262 -3.728 247 H ILE 30 H ILE 30 15.441 13.157 -10.137 248 HA ILE 30 HA ILE 30 16.550 10.726 -11.074 249 HB ILE 30 HB ILE 30 15.563 13.053 -12.726 250 HG12 ILE 30 2HG1 ILE 30 14.035 10.637 -11.736 251 HG13 ILE 30 3HG1 ILE 30 13.905 12.252 -11.049 252 HG21 ILE 30 1HG2 ILE 30 15.638 10.134 -13.453 253 HG22 ILE 30 2HG2 ILE 30 15.296 11.508 -14.505 254 HG23 ILE 30 3HG2 ILE 30 16.923 11.268 -13.868 255 HD11 ILE 30 3HD1 ILE 30 12.273 11.256 -12.953 256 HD12 ILE 30 1HD1 ILE 30 12.570 12.974 -12.692 257 HD13 ILE 30 2HD1 ILE 30 13.461 12.105 -13.942 258 H GLN 31 H GLN 31 17.567 14.094 -11.305 259 HA GLN 31 HA GLN 31 19.680 13.686 -13.137 260 HB2 GLN 31 2HB GLN 31 18.576 15.864 -11.661 261 HB3 GLN 31 3HB GLN 31 20.315 15.852 -11.404 262 HG2 GLN 31 2HG GLN 31 19.953 15.421 -14.143 263 HG3 GLN 31 3HG GLN 31 18.815 16.692 -13.697 264 HE21 GLN 31 1HE2 GLN 31 19.752 18.482 -14.444 265 HE22 GLN 31 2HE2 GLN 31 21.343 19.018 -14.036 266 H ASP 32 H ASP 32 19.423 13.350 -9.671 267 HA ASP 32 HA ASP 32 22.251 13.176 -9.214 268 HB2 ASP 32 2HB ASP 32 19.863 13.277 -7.615 269 HB3 ASP 32 3HB ASP 32 20.870 11.932 -7.085 270 H LYS 33 H LYS 33 19.997 11.097 -10.551 271 HA LYS 33 HA LYS 33 21.514 8.704 -9.758 272 HB2 LYS 33 2HB LYS 33 19.060 8.688 -9.336 273 HB3 LYS 33 3HB LYS 33 18.792 8.859 -11.066 274 HG2 LYS 33 2HG LYS 33 20.174 6.714 -11.296 275 HG3 LYS 33 3HG LYS 33 19.907 6.522 -9.561 276 HD2 LYS 33 2HD LYS 33 18.015 5.479 -10.155 277 HD3 LYS 33 3HD LYS 33 17.392 7.098 -10.481 278 HE2 LYS 33 2HE LYS 33 16.994 6.307 -12.541 279 HE3 LYS 33 3HE LYS 33 18.722 6.543 -12.793 280 HZ1 LYS 33 3HZ LYS 33 18.316 4.058 -11.551 281 HZ2 LYS 33 1HZ LYS 33 18.952 4.376 -13.086 282 HZ3 LYS 33 2HZ LYS 33 17.286 4.156 -12.889 283 H GLU 34 H GLU 34 20.190 10.427 -12.552 284 HA GLU 34 HA GLU 34 22.074 8.931 -14.255 285 HB2 GLU 34 2HB GLU 34 19.202 9.592 -14.654 286 HB3 GLU 34 3HB GLU 34 20.249 9.673 -16.063 287 HG2 GLU 34 2HG GLU 34 20.378 7.251 -14.351 288 HG3 GLU 34 3HG GLU 34 18.982 7.465 -15.406 289 H GLY 35 H GLY 35 20.523 11.998 -13.541 290 HA2 GLY 35 2HA GLY 35 21.510 14.109 -13.765 291 HA3 GLY 35 3HA GLY 35 22.764 13.391 -14.766 292 H ILE 36 H ILE 36 19.455 12.693 -15.486 293 HA ILE 36 HA ILE 36 19.703 13.797 -18.107 294 HB ILE 36 HB ILE 36 18.358 11.808 -17.754 295 HG12 ILE 36 2HG1 ILE 36 16.058 13.028 -18.597 296 HG13 ILE 36 3HG1 ILE 36 17.258 14.272 -18.930 297 HG21 ILE 36 1HG2 ILE 36 17.107 11.626 -15.930 298 HG22 ILE 36 2HG2 ILE 36 17.279 13.347 -15.592 299 HG23 ILE 36 3HG2 ILE 36 15.976 12.779 -16.636 300 HD11 ILE 36 3HD1 ILE 36 17.508 11.429 -19.869 301 HD12 ILE 36 1HD1 ILE 36 16.776 12.719 -20.822 302 HD13 ILE 36 2HD1 ILE 36 18.475 12.819 -20.360 303 HA PRO 37 HA PRO 37 18.395 17.920 -17.159 304 HB2 PRO 37 2HB PRO 37 18.021 18.747 -19.717 305 HB3 PRO 37 3HB PRO 37 19.622 18.556 -18.993 306 HG2 PRO 37 2HG PRO 37 18.127 16.697 -20.802 307 HG3 PRO 37 3HG PRO 37 19.840 17.154 -20.836 308 HD2 PRO 37 2HD PRO 37 18.976 14.818 -19.773 309 HD3 PRO 37 3HD PRO 37 20.395 15.683 -19.150 310 HA PRO 38 HA PRO 38 13.973 16.991 -17.289 311 HB2 PRO 38 2HB PRO 38 13.306 18.834 -15.410 312 HB3 PRO 38 3HB PRO 38 13.964 17.243 -15.006 313 HG2 PRO 38 2HG PRO 38 15.360 19.887 -15.160 314 HG3 PRO 38 3HG PRO 38 15.519 18.607 -13.943 315 HD2 PRO 38 2HD PRO 38 17.314 18.947 -15.942 316 HD3 PRO 38 3HD PRO 38 16.929 17.351 -15.264 317 H ASP 39 H ASP 39 15.750 19.607 -18.348 318 HA ASP 39 HA ASP 39 13.631 21.480 -18.797 319 HB2 ASP 39 2HB ASP 39 16.462 21.268 -19.814 320 HB3 ASP 39 3HB ASP 39 15.366 22.537 -20.354 321 H GLN 40 H GLN 40 14.612 18.617 -20.317 322 HA GLN 40 HA GLN 40 13.093 19.333 -22.738 323 HB2 GLN 40 2HB GLN 40 15.407 17.407 -22.469 324 HB3 GLN 40 3HB GLN 40 14.451 17.626 -23.929 325 HG2 GLN 40 2HG GLN 40 16.143 19.725 -22.590 326 HG3 GLN 40 3HG GLN 40 16.551 18.836 -24.057 327 HE21 GLN 40 1HE2 GLN 40 14.842 19.008 -25.808 328 HE22 GLN 40 2HE2 GLN 40 14.178 20.580 -26.078 329 H GLN 41 H GLN 41 13.208 17.407 -19.989 330 HA GLN 41 HA GLN 41 12.055 15.007 -20.906 331 HB2 GLN 41 2HB GLN 41 13.083 15.138 -18.717 332 HB3 GLN 41 3HB GLN 41 11.913 16.346 -18.201 333 HG2 GLN 41 2HG GLN 41 10.472 14.789 -17.575 334 HG3 GLN 41 3HG GLN 41 10.579 13.976 -19.136 335 HE21 GLN 41 1HE2 GLN 41 11.843 12.190 -19.352 336 HE22 GLN 41 2HE2 GLN 41 12.655 11.425 -18.033 337 H ARG 42 H ARG 42 10.080 14.571 -21.622 338 HA ARG 42 HA ARG 42 7.933 16.509 -21.059 339 HB2 ARG 42 2HB ARG 42 8.916 15.579 -23.525 340 HB3 ARG 42 3HB ARG 42 7.361 14.790 -23.302 341 HG2 ARG 42 2HG ARG 42 6.343 16.636 -23.961 342 HG3 ARG 42 3HG ARG 42 7.032 17.501 -22.586 343 HD2 ARG 42 2HD ARG 42 8.712 17.043 -25.007 344 HD3 ARG 42 3HD ARG 42 7.477 18.302 -25.047 345 HE ARG 42 HE ARG 42 8.918 18.689 -22.718 346 HH11 ARG 42 1HH1 ARG 42 9.536 18.681 -26.144 347 HH12 ARG 42 2HH1 ARG 42 10.829 19.830 -26.046 348 HH21 ARG 42 1HH2 ARG 42 10.618 20.203 -22.576 349 HH22 ARG 42 2HH2 ARG 42 11.444 20.695 -24.015 350 H LEU 43 H LEU 43 7.024 15.579 -19.269 351 HA LEU 43 HA LEU 43 6.469 12.762 -19.135 352 HB2 LEU 43 2HB LEU 43 6.683 14.847 -17.307 353 HB3 LEU 43 3HB LEU 43 4.982 14.389 -17.259 354 HG LEU 43 HG LEU 43 7.304 12.518 -16.799 355 HD11 LEU 43 1HD1 LEU 43 7.188 14.020 -14.960 356 HD12 LEU 43 2HD1 LEU 43 6.422 12.515 -14.455 357 HD13 LEU 43 3HD1 LEU 43 5.429 13.904 -14.896 358 HD21 LEU 43 3HD2 LEU 43 4.382 12.151 -17.079 359 HD22 LEU 43 1HD2 LEU 43 5.179 11.256 -15.785 360 HD23 LEU 43 2HD2 LEU 43 5.708 11.050 -17.455 361 H ILE 44 H ILE 44 4.667 11.723 -19.720 362 HA ILE 44 HA ILE 44 2.237 13.287 -20.250 363 HB ILE 44 HB ILE 44 3.360 12.883 -22.403 364 HG12 ILE 44 2HG1 ILE 44 1.035 11.028 -22.489 365 HG13 ILE 44 3HG1 ILE 44 0.746 12.653 -21.877 366 HG21 ILE 44 1HG2 ILE 44 4.413 10.711 -21.581 367 HG22 ILE 44 2HG2 ILE 44 2.878 9.949 -21.996 368 HG23 ILE 44 3HG2 ILE 44 3.833 10.747 -23.246 369 HD11 ILE 44 3HD1 ILE 44 2.038 12.072 -24.527 370 HD12 ILE 44 1HD1 ILE 44 0.311 12.350 -24.309 371 HD13 ILE 44 2HD1 ILE 44 1.465 13.627 -23.924 372 H PHE 45 H PHE 45 0.417 12.394 -19.487 373 HA PHE 45 HA PHE 45 0.068 9.573 -19.181 374 HB2 PHE 45 2HB PHE 45 1.453 9.930 -17.219 375 HB3 PHE 45 3HB PHE 45 0.424 11.260 -16.697 376 HD1 PHE 45 HD1 PHE 45 -0.392 7.843 -17.936 377 HD2 PHE 45 HD2 PHE 45 -0.598 10.637 -14.732 378 HE1 PHE 45 HE1 PHE 45 -1.774 6.263 -16.652 379 HE2 PHE 45 HE2 PHE 45 -1.979 9.061 -13.442 380 HZ PHE 45 HZ PHE 45 -2.568 6.871 -14.401 381 H ALA 46 H ALA 46 -2.056 9.046 -19.102 382 HA ALA 46 HA ALA 46 -4.323 9.268 -19.089 383 HB1 ALA 46 1HB ALA 46 -5.133 10.282 -17.279 384 HB2 ALA 46 2HB ALA 46 -3.475 10.770 -16.926 385 HB3 ALA 46 3HB ALA 46 -4.546 11.859 -17.808 386 H GLY 47 H GLY 47 -2.465 10.671 -21.062 387 HA2 GLY 47 2HA GLY 47 -2.921 11.689 -23.095 388 HA3 GLY 47 3HA GLY 47 -4.574 11.949 -22.557 389 H LYS 48 H LYS 48 -2.775 13.088 -20.105 390 HA LYS 48 HA LYS 48 -2.727 15.810 -21.233 391 HB2 LYS 48 2HB LYS 48 -3.404 14.792 -18.487 392 HB3 LYS 48 3HB LYS 48 -2.890 16.457 -18.729 393 HG2 LYS 48 2HG LYS 48 -4.808 17.041 -19.814 394 HG3 LYS 48 3HG LYS 48 -5.086 15.412 -20.433 395 HD2 LYS 48 2HD LYS 48 -5.993 14.672 -18.416 396 HD3 LYS 48 3HD LYS 48 -5.278 15.999 -17.499 397 HE2 LYS 48 2HE LYS 48 -7.130 17.195 -17.753 398 HE3 LYS 48 3HE LYS 48 -6.973 17.095 -19.506 399 HZ1 LYS 48 3HZ LYS 48 -8.278 15.046 -17.797 400 HZ2 LYS 48 1HZ LYS 48 -8.185 15.028 -19.487 401 HZ3 LYS 48 2HZ LYS 48 -9.096 16.217 -18.703 402 H GLN 49 H GLN 49 -0.908 17.014 -21.063 403 HA GLN 49 HA GLN 49 1.531 15.667 -20.381 404 HB2 GLN 49 2HB GLN 49 1.018 18.534 -21.190 405 HB3 GLN 49 3HB GLN 49 2.609 17.800 -21.036 406 HG2 GLN 49 2HG GLN 49 1.115 16.125 -22.729 407 HG3 GLN 49 3HG GLN 49 0.816 17.781 -23.256 408 HE21 GLN 49 1HE2 GLN 49 2.280 15.661 -24.595 409 HE22 GLN 49 2HE2 GLN 49 3.880 16.261 -24.849 410 H LEU 50 H LEU 50 2.539 15.653 -18.486 411 HA LEU 50 HA LEU 50 1.446 16.992 -16.222 412 HB2 LEU 50 2HB LEU 50 2.878 14.763 -16.499 413 HB3 LEU 50 3HB LEU 50 4.192 15.876 -16.122 414 HG LEU 50 HG LEU 50 3.620 14.937 -14.066 415 HD11 LEU 50 1HD1 LEU 50 3.594 17.514 -14.250 416 HD12 LEU 50 2HD1 LEU 50 3.001 16.756 -12.773 417 HD13 LEU 50 3HD1 LEU 50 1.859 17.354 -13.976 418 HD21 LEU 50 3HD2 LEU 50 1.463 14.440 -13.297 419 HD22 LEU 50 1HD2 LEU 50 1.445 13.982 -15.001 420 HD23 LEU 50 2HD2 LEU 50 0.699 15.496 -14.487 421 H GLU 51 H GLU 51 1.845 18.977 -15.516 422 HA GLU 51 HA GLU 51 3.911 20.566 -16.780 423 HB2 GLU 51 2HB GLU 51 1.469 21.077 -15.241 424 HB3 GLU 51 3HB GLU 51 2.792 22.166 -14.845 425 HG2 GLU 51 2HG GLU 51 2.430 23.341 -16.679 426 HG3 GLU 51 3HG GLU 51 2.610 21.903 -17.682 427 H ASP 52 H ASP 52 5.772 21.253 -15.874 428 HA ASP 52 HA ASP 52 6.900 19.872 -13.722 429 HB2 ASP 52 2HB ASP 52 8.695 21.587 -13.816 430 HB3 ASP 52 3HB ASP 52 8.291 20.932 -15.401 431 H GLY 53 H GLY 53 4.921 22.715 -13.810 432 HA2 GLY 53 2HA GLY 53 5.610 23.499 -11.095 433 HA3 GLY 53 3HA GLY 53 4.463 24.304 -12.155 434 H ARG 54 H ARG 54 3.797 21.071 -12.272 435 HA ARG 54 HA ARG 54 1.649 21.382 -10.291 436 HB2 ARG 54 2HB ARG 54 1.473 20.664 -12.912 437 HB3 ARG 54 3HB ARG 54 1.556 19.087 -12.138 438 HG2 ARG 54 2HG ARG 54 -0.572 19.217 -11.554 439 HG3 ARG 54 3HG ARG 54 -0.286 20.743 -10.714 440 HD2 ARG 54 2HD ARG 54 -0.261 21.564 -13.295 441 HD3 ARG 54 3HD ARG 54 -1.408 20.228 -13.384 442 HE ARG 54 HE ARG 54 -1.968 21.977 -11.202 443 HH11 ARG 54 1HH1 ARG 54 -2.324 21.583 -14.642 444 HH12 ARG 54 2HH1 ARG 54 -3.735 22.583 -14.742 445 HH21 ARG 54 1HH2 ARG 54 -3.826 23.295 -11.320 446 HH22 ARG 54 2HH2 ARG 54 -4.589 23.556 -12.852 447 H THR 55 H THR 55 1.115 19.628 -8.899 448 HA THR 55 HA THR 55 3.447 17.975 -8.228 449 HB THR 55 HB THR 55 2.622 17.811 -6.008 450 HG1 THR 55 HG1 THR 55 0.209 18.824 -7.109 451 HG21 THR 55 3HG2 THR 55 3.381 20.172 -7.044 452 HG22 THR 55 1HG2 THR 55 2.977 19.952 -5.342 453 HG23 THR 55 2HG2 THR 55 1.778 20.611 -6.455 454 H LEU 56 H LEU 56 3.013 15.779 -7.398 455 HA LEU 56 HA LEU 56 1.591 14.232 -9.241 456 HB2 LEU 56 2HB LEU 56 2.445 13.502 -6.444 457 HB3 LEU 56 3HB LEU 56 1.969 12.363 -7.702 458 HG LEU 56 HG LEU 56 4.355 14.193 -7.917 459 HD11 LEU 56 1HD1 LEU 56 5.323 11.649 -7.640 460 HD12 LEU 56 2HD1 LEU 56 4.000 11.681 -6.475 461 HD13 LEU 56 3HD1 LEU 56 5.292 12.877 -6.374 462 HD21 LEU 56 3HD2 LEU 56 3.732 11.676 -9.443 463 HD22 LEU 56 1HD2 LEU 56 4.973 12.882 -9.785 464 HD23 LEU 56 2HD2 LEU 56 3.270 13.283 -10.008 465 H SER 57 H SER 57 0.759 15.104 -5.893 466 HA SER 57 HA SER 57 -1.663 13.757 -5.711 467 HB2 SER 57 2HB SER 57 -0.960 14.623 -3.680 468 HB3 SER 57 3HB SER 57 -0.531 16.186 -4.375 469 HG SER 57 HG SER 57 -2.399 16.797 -3.643 470 H ASP 58 H ASP 58 -0.922 16.896 -7.117 471 HA ASP 58 HA ASP 58 -3.554 17.806 -7.486 472 HB2 ASP 58 2HB ASP 58 -0.907 18.444 -8.712 473 HB3 ASP 58 3HB ASP 58 -2.361 19.045 -9.502 474 H TYR 59 H TYR 59 -1.586 15.562 -9.290 475 HA TYR 59 HA TYR 59 -3.479 15.484 -11.502 476 HB2 TYR 59 2HB TYR 59 -0.706 14.847 -11.159 477 HB3 TYR 59 3HB TYR 59 -1.551 13.421 -11.751 478 HD1 TYR 59 HD2 TYR 59 -1.396 17.096 -12.435 479 HD2 TYR 59 HD1 TYR 59 -1.726 13.167 -14.035 480 HE1 TYR 59 HE2 TYR 59 -1.358 18.026 -14.711 481 HE2 TYR 59 HE1 TYR 59 -1.687 14.087 -16.316 482 HH TYR 59 HH TYR 59 -0.596 16.858 -17.163 483 H ASN 60 H ASN 60 -3.606 14.324 -8.530 484 HA ASN 60 HA ASN 60 -4.549 12.536 -7.477 485 HB2 ASN 60 2HB ASN 60 -6.302 13.451 -9.356 486 HB3 ASN 60 3HB ASN 60 -6.179 11.752 -9.805 487 HD21 ASN 60 1HD2 ASN 60 -8.301 11.356 -9.191 488 HD22 ASN 60 2HD2 ASN 60 -8.776 11.270 -7.532 489 H ILE 61 H ILE 61 -2.113 11.945 -8.751 490 HA ILE 61 HA ILE 61 -2.291 9.534 -10.264 491 HB ILE 61 HB ILE 61 0.098 10.551 -8.726 492 HG12 ILE 61 2HG1 ILE 61 -0.784 11.167 -11.555 493 HG13 ILE 61 3HG1 ILE 61 -0.749 12.302 -10.210 494 HG21 ILE 61 1HG2 ILE 61 -0.122 8.728 -11.118 495 HG22 ILE 61 2HG2 ILE 61 1.381 9.289 -10.388 496 HG23 ILE 61 3HG2 ILE 61 0.294 8.243 -9.475 497 HD11 ILE 61 3HD1 ILE 61 1.392 11.409 -11.971 498 HD12 ILE 61 1HD1 ILE 61 1.245 12.881 -11.011 499 HD13 ILE 61 2HD1 ILE 61 1.822 11.393 -10.261 500 H GLN 62 H GLN 62 -3.397 7.937 -9.222 501 HA GLN 62 HA GLN 62 -3.086 7.305 -6.478 502 HB2 GLN 62 2HB GLN 62 -4.681 6.405 -8.677 503 HB3 GLN 62 3HB GLN 62 -3.977 5.006 -7.879 504 HG2 GLN 62 2HG GLN 62 -4.859 5.845 -5.726 505 HG3 GLN 62 3HG GLN 62 -5.652 7.153 -6.603 506 HE21 GLN 62 1HE2 GLN 62 -6.596 4.754 -5.005 507 HE22 GLN 62 2HE2 GLN 62 -7.778 4.014 -6.025 508 H LYS 63 H LYS 63 -2.514 4.913 -5.894 509 HA LYS 63 HA LYS 63 0.266 4.598 -6.421 510 HB2 LYS 63 2HB LYS 63 0.018 2.509 -5.064 511 HB3 LYS 63 3HB LYS 63 -0.568 3.962 -4.266 512 HG2 LYS 63 2HG LYS 63 -2.612 2.536 -5.796 513 HG3 LYS 63 3HG LYS 63 -1.929 1.614 -4.454 514 HD2 LYS 63 2HD LYS 63 -2.490 4.358 -3.706 515 HD3 LYS 63 3HD LYS 63 -3.931 3.531 -4.302 516 HE2 LYS 63 2HE LYS 63 -2.113 2.296 -2.253 517 HE3 LYS 63 3HE LYS 63 -3.431 3.377 -1.802 518 HZ1 LYS 63 3HZ LYS 63 -5.018 1.891 -2.615 519 HZ2 LYS 63 1HZ LYS 63 -3.907 0.900 -1.810 520 HZ3 LYS 63 2HZ LYS 63 -3.885 0.998 -3.499 521 H GLU 64 H GLU 64 1.341 3.105 -7.656 522 HA GLU 64 HA GLU 64 1.686 1.426 -9.179 523 HB2 GLU 64 2HB GLU 64 -0.530 0.511 -7.942 524 HB3 GLU 64 3HB GLU 64 -1.181 0.786 -9.551 525 HG2 GLU 64 2HG GLU 64 1.377 -0.699 -9.309 526 HG3 GLU 64 3HG GLU 64 -0.116 -1.519 -8.858 527 H SER 65 H SER 65 1.176 4.184 -9.809 528 HA SER 65 HA SER 65 -0.441 4.267 -12.190 529 HB2 SER 65 2HB SER 65 -0.470 6.348 -11.218 530 HB3 SER 65 3HB SER 65 1.188 6.215 -10.632 531 HG SER 65 HG SER 65 0.245 7.277 -12.956 532 H THR 66 H THR 66 0.272 4.534 -14.311 533 HA THR 66 HA THR 66 3.075 3.748 -14.783 534 HB THR 66 HB THR 66 2.154 2.875 -17.020 535 HG1 THR 66 HG1 THR 66 -0.047 2.360 -17.003 536 HG21 THR 66 3HG2 THR 66 0.966 0.991 -15.257 537 HG22 THR 66 1HG2 THR 66 2.361 1.692 -14.439 538 HG23 THR 66 2HG2 THR 66 2.556 0.928 -16.016 539 H LEU 67 H LEU 67 4.280 5.218 -15.776 540 HA LEU 67 HA LEU 67 2.936 7.352 -17.288 541 HB2 LEU 67 2HB LEU 67 5.780 7.496 -16.383 542 HB3 LEU 67 3HB LEU 67 4.646 8.805 -16.710 543 HG LEU 67 HG LEU 67 4.454 6.959 -14.333 544 HD11 LEU 67 1HD1 LEU 67 6.458 8.146 -14.007 545 HD12 LEU 67 2HD1 LEU 67 5.236 9.028 -13.092 546 HD13 LEU 67 3HD1 LEU 67 5.776 9.637 -14.656 547 HD21 LEU 67 3HD2 LEU 67 2.657 8.823 -15.492 548 HD22 LEU 67 1HD2 LEU 67 3.235 9.497 -13.968 549 HD23 LEU 67 2HD2 LEU 67 2.477 7.904 -13.997 550 H HIS 68 H HIS 68 3.752 8.009 -19.301 551 HA HIS 68 HA HIS 68 5.341 5.944 -20.665 552 HB2 HIS 68 2HB HIS 68 2.894 6.909 -21.354 553 HB3 HIS 68 3HB HIS 68 3.940 7.968 -22.295 554 HD1 HIS 68 HD1 HIS 68 3.281 6.937 -24.541 555 HD2 HIS 68 HD2 HIS 68 4.865 4.194 -21.853 556 HE1 HIS 68 HE1 HIS 68 3.720 4.857 -25.884 557 H LEU 69 H LEU 69 7.189 6.449 -21.738 558 HA LEU 69 HA LEU 69 8.082 9.254 -21.585 559 HB2 LEU 69 2HB LEU 69 9.629 6.691 -21.293 560 HB3 LEU 69 3HB LEU 69 10.406 8.248 -21.574 561 HG LEU 69 HG LEU 69 8.633 7.679 -19.204 562 HD11 LEU 69 1HD1 LEU 69 11.035 7.774 -18.099 563 HD12 LEU 69 2HD1 LEU 69 11.512 7.131 -19.669 564 HD13 LEU 69 3HD1 LEU 69 10.336 6.263 -18.682 565 HD21 LEU 69 3HD2 LEU 69 10.572 9.675 -18.731 566 HD22 LEU 69 1HD2 LEU 69 8.821 9.858 -18.840 567 HD23 LEU 69 2HD2 LEU 69 9.817 10.040 -20.284 568 H VAL 70 H VAL 70 8.297 10.207 -23.488 569 HA VAL 70 HA VAL 70 8.822 8.531 -25.855 570 HB VAL 70 HB VAL 70 6.646 9.745 -25.858 571 HG11 VAL 70 1HG1 VAL 70 6.466 12.046 -25.818 572 HG12 VAL 70 2HG1 VAL 70 7.769 11.768 -24.661 573 HG13 VAL 70 3HG1 VAL 70 8.143 12.292 -26.303 574 HG21 VAL 70 3HG2 VAL 70 8.172 9.203 -27.914 575 HG22 VAL 70 1HG2 VAL 70 6.731 10.202 -28.113 576 HG23 VAL 70 2HG2 VAL 70 8.322 10.958 -28.011 577 H LEU 71 H LEU 71 10.285 9.279 -27.431 578 HA LEU 71 HA LEU 71 12.443 10.876 -26.337 579 HB2 LEU 71 2HB LEU 71 12.176 8.800 -28.283 580 HB3 LEU 71 3HB LEU 71 12.966 10.189 -29.025 581 HG LEU 71 HG LEU 71 14.712 10.127 -27.335 582 HD11 LEU 71 1HD1 LEU 71 13.290 9.267 -25.496 583 HD12 LEU 71 2HD1 LEU 71 14.823 8.412 -25.657 584 HD13 LEU 71 3HD1 LEU 71 13.336 7.674 -26.252 585 HD21 LEU 71 3HD2 LEU 71 15.258 7.501 -27.843 586 HD22 LEU 71 1HD2 LEU 71 15.598 8.841 -28.939 587 HD23 LEU 71 2HD2 LEU 71 14.121 7.896 -29.133 588 H ARG 72 H ARG 72 12.766 12.960 -26.746 589 HA ARG 72 HA ARG 72 11.312 14.178 -29.002 590 HB2 ARG 72 2HB ARG 72 11.451 16.303 -27.646 591 HB3 ARG 72 3HB ARG 72 10.407 15.052 -26.985 592 HG2 ARG 72 2HG ARG 72 13.228 15.155 -26.063 593 HG3 ARG 72 3HG ARG 72 12.104 16.383 -25.476 594 HD2 ARG 72 2HD ARG 72 10.604 14.641 -24.669 595 HD3 ARG 72 3HD ARG 72 11.690 13.400 -25.294 596 HE ARG 72 HE ARG 72 11.929 14.773 -22.824 597 HH11 ARG 72 1HH1 ARG 72 13.809 13.445 -25.437 598 HH12 ARG 72 2HH1 ARG 72 15.209 13.158 -24.456 599 HH21 ARG 72 1HH2 ARG 72 13.765 14.399 -21.524 600 HH22 ARG 72 2HH2 ARG 72 15.183 13.700 -22.231 601 H LEU 73 H LEU 73 13.105 13.718 -30.395 602 HA LEU 73 HA LEU 73 15.541 15.263 -29.847 603 HB2 LEU 73 2HB LEU 73 15.010 12.716 -31.075 604 HB3 LEU 73 3HB LEU 73 15.883 13.765 -32.190 605 HG LEU 73 HG LEU 73 17.542 14.115 -30.269 606 HD11 LEU 73 1HD1 LEU 73 17.140 13.137 -28.324 607 HD12 LEU 73 2HD1 LEU 73 17.159 11.558 -29.109 608 HD13 LEU 73 3HD1 LEU 73 15.646 12.452 -28.966 609 HD21 LEU 73 3HD2 LEU 73 17.184 11.791 -32.044 610 HD22 LEU 73 1HD2 LEU 73 18.346 11.586 -30.733 611 HD23 LEU 73 2HD2 LEU 73 18.542 12.906 -31.887 612 H ARG 74 H ARG 74 15.953 17.072 -30.936 613 HA ARG 74 HA ARG 74 14.404 17.604 -33.387 614 HB2 ARG 74 2HB ARG 74 14.049 18.995 -31.161 615 HB3 ARG 74 3HB ARG 74 15.482 19.841 -31.730 616 HG2 ARG 74 2HG ARG 74 14.041 19.880 -33.981 617 HG3 ARG 74 3HG ARG 74 12.731 19.832 -32.798 618 HD2 ARG 74 2HD ARG 74 13.077 22.102 -33.036 619 HD3 ARG 74 3HD ARG 74 14.073 21.727 -31.631 620 HE ARG 74 HE ARG 74 15.484 21.597 -34.136 621 HH11 ARG 74 1HH1 ARG 74 14.466 23.647 -31.512 622 HH12 ARG 74 2HH1 ARG 74 15.719 24.816 -31.767 623 HH21 ARG 74 1HH2 ARG 74 17.138 23.130 -34.481 624 HH22 ARG 74 2HH2 ARG 74 17.237 24.521 -33.456 625 H GLY 75 H GLY 75 15.978 16.860 -34.808 626 HA2 GLY 75 2HA GLY 75 17.599 18.057 -36.280 627 HA3 GLY 75 3HA GLY 75 18.494 18.412 -34.810 628 H GLY 76 H GLY 76 18.123 16.275 -37.393 629 HA2 GLY 76 2HA GLY 76 20.384 14.752 -36.729 630 HA3 GLY 76 3HA GLY 76 18.956 13.837 -36.266 Start of MODEL 10 1 H1 GLY 0 H GLY 0 1.646 2.534 1.013 2 HA2 GLY 0 2HA GLY 0 3.472 0.565 -0.224 3 HA3 GLY 0 3HA GLY 0 2.025 1.166 -1.022 4 H MET 1 H MET 1 1.963 3.434 -1.621 5 HA MET 1 HA MET 1 2.831 5.288 -2.609 6 HB2 MET 1 2HB MET 1 5.269 4.827 -0.888 7 HB3 MET 1 3HB MET 1 4.757 6.341 -1.622 8 HG2 MET 1 2HG MET 1 3.117 4.880 0.425 9 HG3 MET 1 3HG MET 1 4.324 6.094 0.842 10 HE1 MET 1 3HE MET 1 0.346 5.988 -0.664 11 HE2 MET 1 1HE MET 1 1.139 5.294 0.751 12 HE3 MET 1 2HE MET 1 0.302 6.841 0.879 13 H GLN 2 H GLN 2 3.605 2.402 -3.393 14 HA GLN 2 HA GLN 2 6.034 2.946 -4.925 15 HB2 GLN 2 2HB GLN 2 4.481 0.368 -4.648 16 HB3 GLN 2 3HB GLN 2 6.058 0.557 -5.404 17 HG2 GLN 2 2HG GLN 2 6.002 1.561 -2.681 18 HG3 GLN 2 3HG GLN 2 5.570 -0.145 -2.789 19 HE21 GLN 2 1HE2 GLN 2 7.824 1.831 -4.675 20 HE22 GLN 2 2HE2 GLN 2 9.220 0.871 -4.338 21 H ILE 3 H ILE 3 6.083 3.151 -7.098 22 HA ILE 3 HA ILE 3 3.585 2.704 -8.585 23 HB ILE 3 HB ILE 3 4.288 4.738 -9.986 24 HG12 ILE 3 2HG1 ILE 3 5.604 5.667 -7.454 25 HG13 ILE 3 3HG1 ILE 3 6.540 4.791 -8.660 26 HG21 ILE 3 1HG2 ILE 3 3.240 5.045 -7.177 27 HG22 ILE 3 2HG2 ILE 3 3.144 6.292 -8.419 28 HG23 ILE 3 3HG2 ILE 3 2.300 4.760 -8.641 29 HD11 ILE 3 3HD1 ILE 3 5.016 7.339 -9.147 30 HD12 ILE 3 1HD1 ILE 3 6.757 7.210 -8.899 31 HD13 ILE 3 2HD1 ILE 3 6.012 6.477 -10.320 32 H PHE 4 H PHE 4 3.934 2.590 -10.960 33 HA PHE 4 HA PHE 4 6.612 1.573 -11.636 34 HB2 PHE 4 2HB PHE 4 4.131 0.123 -11.591 35 HB3 PHE 4 3HB PHE 4 4.732 0.206 -13.243 36 HD1 PHE 4 HD2 PHE 4 7.247 -0.399 -13.561 37 HD2 PHE 4 HD1 PHE 4 4.913 -1.521 -10.182 38 HE1 PHE 4 HE2 PHE 4 8.830 -2.219 -13.076 39 HE2 PHE 4 HE1 PHE 4 6.493 -3.342 -9.691 40 HZ PHE 4 HZ PHE 4 8.454 -3.694 -11.140 41 H VAL 5 H VAL 5 7.477 2.415 -13.423 42 HA VAL 5 HA VAL 5 5.722 3.988 -15.192 43 HB VAL 5 HB VAL 5 8.676 4.348 -14.670 44 HG11 VAL 5 1HG1 VAL 5 8.188 4.965 -16.932 45 HG12 VAL 5 2HG1 VAL 5 6.761 5.872 -16.428 46 HG13 VAL 5 3HG1 VAL 5 8.370 6.443 -15.986 47 HG21 VAL 5 3HG2 VAL 5 7.022 6.611 -14.041 48 HG22 VAL 5 1HG2 VAL 5 6.466 5.185 -13.165 49 HG23 VAL 5 2HG2 VAL 5 8.139 5.722 -13.006 50 H LYS 6 H LYS 6 5.506 3.339 -17.228 51 HA LYS 6 HA LYS 6 7.322 1.263 -18.234 52 HB2 LYS 6 2HB LYS 6 4.578 2.095 -19.196 53 HB3 LYS 6 3HB LYS 6 5.547 0.803 -19.894 54 HG2 LYS 6 2HG LYS 6 5.479 -0.359 -17.704 55 HG3 LYS 6 3HG LYS 6 4.385 0.896 -17.118 56 HD2 LYS 6 2HD LYS 6 2.963 -0.835 -17.792 57 HD3 LYS 6 3HD LYS 6 2.929 0.298 -19.145 58 HE2 LYS 6 2HE LYS 6 4.276 -1.066 -20.474 59 HE3 LYS 6 3HE LYS 6 4.869 -1.986 -19.092 60 HZ1 LYS 6 3HZ LYS 6 2.411 -2.301 -20.614 61 HZ2 LYS 6 1HZ LYS 6 2.283 -2.532 -18.943 62 HZ3 LYS 6 2HZ LYS 6 3.366 -3.467 -19.845 63 H THR 7 H THR 7 8.574 1.571 -19.988 64 HA THR 7 HA THR 7 8.551 4.248 -21.189 65 HB THR 7 HB THR 7 10.786 2.730 -22.092 66 HG1 THR 7 HG1 THR 7 11.629 2.608 -19.745 67 HG21 THR 7 3HG2 THR 7 11.189 4.718 -19.956 68 HG22 THR 7 1HG2 THR 7 10.269 5.284 -21.350 69 HG23 THR 7 2HG2 THR 7 11.892 4.630 -21.571 70 H LEU 8 H LEU 8 9.709 3.963 -23.554 71 HA LEU 8 HA LEU 8 7.697 2.538 -25.096 72 HB2 LEU 8 2HB LEU 8 9.762 4.609 -25.712 73 HB3 LEU 8 3HB LEU 8 9.048 3.664 -27.018 74 HG LEU 8 HG LEU 8 7.425 5.302 -25.077 75 HD11 LEU 8 1HD1 LEU 8 7.763 7.162 -26.261 76 HD12 LEU 8 2HD1 LEU 8 7.675 6.307 -27.800 77 HD13 LEU 8 3HD1 LEU 8 9.191 6.346 -26.899 78 HD21 LEU 8 3HD2 LEU 8 5.605 4.798 -26.356 79 HD22 LEU 8 1HD2 LEU 8 6.536 3.317 -26.582 80 HD23 LEU 8 2HD2 LEU 8 6.557 4.569 -27.824 81 H THR 9 H THR 9 10.223 1.412 -23.642 82 HA THR 9 HA THR 9 11.175 -0.186 -25.930 83 HB THR 9 HB THR 9 12.889 -0.216 -23.552 84 HG1 THR 9 HG1 THR 9 13.523 1.870 -23.627 85 HG21 THR 9 3HG2 THR 9 13.531 0.498 -26.410 86 HG22 THR 9 1HG2 THR 9 13.400 -1.162 -25.830 87 HG23 THR 9 2HG2 THR 9 14.637 -0.093 -25.170 88 H GLY 10 H GLY 10 8.919 -0.529 -23.892 89 HA2 GLY 10 2HA GLY 10 7.911 -2.320 -22.867 90 HA3 GLY 10 3HA GLY 10 9.118 -3.336 -23.641 91 H LYS 11 H LYS 11 10.368 -0.822 -21.698 92 HA LYS 11 HA LYS 11 11.218 -2.792 -19.713 93 HB2 LYS 11 2HB LYS 11 12.178 -0.024 -20.418 94 HB3 LYS 11 3HB LYS 11 12.719 -0.856 -18.967 95 HG2 LYS 11 2HG LYS 11 13.750 -2.577 -20.233 96 HG3 LYS 11 3HG LYS 11 12.997 -2.014 -21.727 97 HD2 LYS 11 2HD LYS 11 14.534 -0.396 -22.038 98 HD3 LYS 11 3HD LYS 11 14.614 -0.003 -20.319 99 HE2 LYS 11 2HE LYS 11 15.724 -2.623 -21.072 100 HE3 LYS 11 3HE LYS 11 16.594 -1.227 -21.704 101 HZ1 LYS 11 3HZ LYS 11 15.930 -1.682 -18.845 102 HZ2 LYS 11 1HZ LYS 11 16.800 -0.370 -19.465 103 HZ3 LYS 11 2HZ LYS 11 17.448 -1.930 -19.549 104 H THR 12 H THR 12 10.469 -2.832 -17.689 105 HA THR 12 HA THR 12 8.648 -0.676 -16.858 106 HB THR 12 HB THR 12 7.574 -2.241 -15.384 107 HG1 THR 12 HG1 THR 12 8.435 -4.543 -15.619 108 HG21 THR 12 3HG2 THR 12 6.449 -3.459 -16.962 109 HG22 THR 12 1HG2 THR 12 7.924 -3.965 -17.784 110 HG23 THR 12 2HG2 THR 12 7.297 -2.334 -18.021 111 H ILE 13 H ILE 13 9.242 0.626 -15.257 112 HA ILE 13 HA ILE 13 11.380 -0.275 -13.438 113 HB ILE 13 HB ILE 13 10.870 2.571 -14.305 114 HG12 ILE 13 2HG1 ILE 13 13.417 1.625 -15.140 115 HG13 ILE 13 3HG1 ILE 13 12.220 0.447 -15.665 116 HG21 ILE 13 1HG2 ILE 13 13.050 3.000 -13.238 117 HG22 ILE 13 2HG2 ILE 13 11.840 2.416 -12.096 118 HG23 ILE 13 3HG2 ILE 13 13.090 1.324 -12.692 119 HD11 ILE 13 3HD1 ILE 13 12.454 3.338 -16.392 120 HD12 ILE 13 1HD1 ILE 13 12.395 1.926 -17.446 121 HD13 ILE 13 2HD1 ILE 13 10.941 2.456 -16.599 122 H THR 14 H THR 14 11.200 0.227 -11.267 123 HA THR 14 HA THR 14 8.572 1.265 -10.425 124 HB THR 14 HB THR 14 8.700 -1.043 -9.808 125 HG1 THR 14 HG1 THR 14 9.016 -0.661 -7.356 126 HG21 THR 14 3HG2 THR 14 10.604 -1.693 -8.161 127 HG22 THR 14 1HG2 THR 14 11.453 -0.321 -8.872 128 HG23 THR 14 2HG2 THR 14 10.936 -1.664 -9.892 129 H LEU 15 H LEU 15 8.482 2.824 -8.872 130 HA LEU 15 HA LEU 15 10.939 3.621 -7.508 131 HB2 LEU 15 2HB LEU 15 9.459 5.214 -9.522 132 HB3 LEU 15 3HB LEU 15 10.042 6.065 -8.093 133 HG LEU 15 HG LEU 15 12.226 4.579 -9.021 134 HD11 LEU 15 1HD1 LEU 15 10.679 5.849 -11.267 135 HD12 LEU 15 2HD1 LEU 15 11.249 4.185 -11.145 136 HD13 LEU 15 3HD1 LEU 15 12.406 5.500 -11.353 137 HD21 LEU 15 3HD2 LEU 15 11.412 7.404 -8.774 138 HD22 LEU 15 1HD2 LEU 15 12.762 7.075 -9.861 139 HD23 LEU 15 2HD2 LEU 15 12.849 6.575 -8.172 140 H GLU 16 H GLU 16 10.390 5.524 -5.955 141 HA GLU 16 HA GLU 16 7.707 5.126 -4.817 142 HB2 GLU 16 2HB GLU 16 9.709 3.909 -3.650 143 HB3 GLU 16 3HB GLU 16 10.080 5.511 -3.028 144 HG2 GLU 16 2HG GLU 16 7.460 5.379 -2.442 145 HG3 GLU 16 3HG GLU 16 7.889 3.672 -2.343 146 H VAL 17 H VAL 17 6.711 6.923 -4.038 147 HA VAL 17 HA VAL 17 8.203 9.378 -3.621 148 HB VAL 17 HB VAL 17 6.695 10.683 -5.130 149 HG11 VAL 17 1HG1 VAL 17 8.272 8.645 -6.678 150 HG12 VAL 17 2HG1 VAL 17 8.010 10.349 -7.056 151 HG13 VAL 17 3HG1 VAL 17 9.042 9.893 -5.699 152 HG21 VAL 17 3HG2 VAL 17 5.727 9.245 -7.043 153 HG22 VAL 17 1HG2 VAL 17 5.829 7.917 -5.887 154 HG23 VAL 17 2HG2 VAL 17 4.841 9.331 -5.521 155 H GLU 18 H GLU 18 6.372 11.217 -3.286 156 HA GLU 18 HA GLU 18 4.327 10.046 -1.519 157 HB2 GLU 18 2HB GLU 18 6.406 12.047 -0.950 158 HB3 GLU 18 3HB GLU 18 4.796 12.498 -0.407 159 HG2 GLU 18 2HG GLU 18 4.636 10.655 1.024 160 HG3 GLU 18 3HG GLU 18 5.986 9.828 0.249 161 HA PRO 19 HA PRO 19 1.297 12.530 -3.489 162 HB2 PRO 19 2HB PRO 19 -0.252 13.354 -1.417 163 HB3 PRO 19 3HB PRO 19 -0.238 11.686 -2.003 164 HG2 PRO 19 2HG PRO 19 1.182 12.880 0.346 165 HG3 PRO 19 3HG PRO 19 0.317 11.337 0.228 166 HD2 PRO 19 2HD PRO 19 3.016 11.509 0.089 167 HD3 PRO 19 3HD PRO 19 2.091 10.277 -0.794 168 H SER 20 H SER 20 3.031 14.001 -0.814 169 HA SER 20 HA SER 20 2.211 16.682 -1.521 170 HB2 SER 20 2HB SER 20 3.080 15.535 0.816 171 HB3 SER 20 3HB SER 20 4.518 16.403 0.279 172 HG SER 20 HG SER 20 3.520 18.265 0.555 173 H ASP 21 H ASP 21 4.280 14.564 -2.890 174 HA ASP 21 HA ASP 21 6.525 16.298 -3.375 175 HB2 ASP 21 2HB ASP 21 6.025 13.549 -3.615 176 HB3 ASP 21 3HB ASP 21 6.299 14.116 -5.260 177 H THR 22 H THR 22 6.890 17.601 -5.082 178 HA THR 22 HA THR 22 4.710 17.878 -7.033 179 HB THR 22 HB THR 22 5.504 20.134 -7.442 180 HG1 THR 22 HG1 THR 22 7.372 20.883 -6.612 181 HG21 THR 22 3HG2 THR 22 4.508 20.992 -5.614 182 HG22 THR 22 1HG2 THR 22 5.633 20.203 -4.509 183 HG23 THR 22 2HG2 THR 22 4.264 19.304 -5.163 184 H ILE 23 H ILE 23 5.181 18.160 -9.254 185 HA ILE 23 HA ILE 23 7.073 16.426 -10.325 186 HB ILE 23 HB ILE 23 5.772 18.804 -11.657 187 HG12 ILE 23 2HG1 ILE 23 4.126 17.234 -10.811 188 HG13 ILE 23 3HG1 ILE 23 4.216 17.091 -12.563 189 HG21 ILE 23 1HG2 ILE 23 7.710 18.121 -12.914 190 HG22 ILE 23 2HG2 ILE 23 7.208 16.432 -12.838 191 HG23 ILE 23 3HG2 ILE 23 6.255 17.594 -13.761 192 HD11 ILE 23 3HD1 ILE 23 5.104 15.185 -10.457 193 HD12 ILE 23 1HD1 ILE 23 4.151 14.896 -11.911 194 HD13 ILE 23 2HD1 ILE 23 5.889 15.169 -12.036 195 H GLU 24 H GLU 24 7.313 19.828 -9.528 196 HA GLU 24 HA GLU 24 9.717 20.353 -10.936 197 HB2 GLU 24 2HB GLU 24 7.963 21.975 -9.835 198 HB3 GLU 24 3HB GLU 24 9.006 21.821 -8.428 199 HG2 GLU 24 2HG GLU 24 10.914 22.562 -9.817 200 HG3 GLU 24 3HG GLU 24 9.793 22.825 -11.152 201 H ASN 25 H ASN 25 9.030 19.383 -7.599 202 HA ASN 25 HA ASN 25 11.762 19.431 -6.775 203 HB2 ASN 25 2HB ASN 25 9.201 18.968 -5.560 204 HB3 ASN 25 3HB ASN 25 10.305 17.675 -5.100 205 HD21 ASN 25 1HD2 ASN 25 10.257 18.452 -2.960 206 HD22 ASN 25 2HD2 ASN 25 11.170 19.843 -2.495 207 H VAL 26 H VAL 26 9.720 17.114 -8.340 208 HA VAL 26 HA VAL 26 11.320 14.815 -7.726 209 HB VAL 26 HB VAL 26 9.245 15.199 -9.890 210 HG11 VAL 26 1HG1 VAL 26 10.700 12.772 -8.881 211 HG12 VAL 26 2HG1 VAL 26 9.147 12.658 -9.711 212 HG13 VAL 26 3HG1 VAL 26 10.542 13.351 -10.539 213 HG21 VAL 26 3HG2 VAL 26 8.890 15.167 -7.148 214 HG22 VAL 26 1HG2 VAL 26 7.655 14.846 -8.366 215 HG23 VAL 26 2HG2 VAL 26 8.542 13.508 -7.636 216 H LYS 27 H LYS 27 11.016 17.018 -10.476 217 HA LYS 27 HA LYS 27 12.715 15.665 -12.248 218 HB2 LYS 27 2HB LYS 27 11.348 17.390 -13.131 219 HB3 LYS 27 3HB LYS 27 11.959 18.568 -11.976 220 HG2 LYS 27 2HG LYS 27 14.081 17.461 -13.602 221 HG3 LYS 27 3HG LYS 27 12.813 18.203 -14.581 222 HD2 LYS 27 2HD LYS 27 13.682 20.195 -14.115 223 HD3 LYS 27 3HD LYS 27 13.265 19.944 -12.419 224 HE2 LYS 27 2HE LYS 27 15.494 18.549 -12.419 225 HE3 LYS 27 3HE LYS 27 15.867 19.549 -13.822 226 HZ1 LYS 27 3HZ LYS 27 16.196 21.336 -12.547 227 HZ2 LYS 27 1HZ LYS 27 16.314 20.249 -11.256 228 HZ3 LYS 27 2HZ LYS 27 14.848 21.030 -11.572 229 H ALA 28 H ALA 28 13.388 18.058 -9.740 230 HA ALA 28 HA ALA 28 16.069 18.562 -10.316 231 HB1 ALA 28 1HB ALA 28 16.071 19.754 -8.408 232 HB2 ALA 28 2HB ALA 28 14.333 19.456 -8.448 233 HB3 ALA 28 3HB ALA 28 15.380 18.437 -7.459 234 H LYS 29 H LYS 29 14.567 15.928 -8.527 235 HA LYS 29 HA LYS 29 16.964 14.830 -7.485 236 HB2 LYS 29 2HB LYS 29 14.756 14.309 -6.547 237 HB3 LYS 29 3HB LYS 29 14.308 13.495 -8.040 238 HG2 LYS 29 2HG LYS 29 14.890 11.730 -6.689 239 HG3 LYS 29 3HG LYS 29 16.395 12.027 -7.562 240 HD2 LYS 29 2HD LYS 29 16.611 13.696 -5.389 241 HD3 LYS 29 3HD LYS 29 15.794 12.283 -4.716 242 HE2 LYS 29 2HE LYS 29 17.771 11.275 -4.602 243 HE3 LYS 29 3HE LYS 29 17.816 11.272 -6.365 244 HZ1 LYS 29 3HZ LYS 29 18.707 13.627 -4.823 245 HZ2 LYS 29 1HZ LYS 29 19.094 13.193 -6.412 246 HZ3 LYS 29 2HZ LYS 29 19.754 12.332 -5.115 247 H ILE 30 H ILE 30 15.206 14.398 -10.491 248 HA ILE 30 HA ILE 30 16.600 12.102 -11.388 249 HB ILE 30 HB ILE 30 15.247 14.225 -13.056 250 HG12 ILE 30 2HG1 ILE 30 13.777 13.198 -11.324 251 HG13 ILE 30 3HG1 ILE 30 13.268 12.837 -12.970 252 HG21 ILE 30 1HG2 ILE 30 14.952 11.955 -14.449 253 HG22 ILE 30 2HG2 ILE 30 16.310 13.056 -14.672 254 HG23 ILE 30 3HG2 ILE 30 16.495 11.620 -13.665 255 HD11 ILE 30 3HD1 ILE 30 13.680 10.632 -12.756 256 HD12 ILE 30 1HD1 ILE 30 15.066 10.879 -11.693 257 HD13 ILE 30 2HD1 ILE 30 13.428 10.997 -11.049 258 H GLN 31 H GLN 31 17.132 15.569 -11.807 259 HA GLN 31 HA GLN 31 19.277 15.320 -13.647 260 HB2 GLN 31 2HB GLN 31 18.094 17.403 -13.517 261 HB3 GLN 31 3HB GLN 31 18.449 17.561 -11.802 262 HG2 GLN 31 2HG GLN 31 20.883 17.676 -12.436 263 HG3 GLN 31 3HG GLN 31 20.352 17.811 -14.112 264 HE21 GLN 31 1HE2 GLN 31 21.727 19.836 -13.595 265 HE22 GLN 31 2HE2 GLN 31 20.824 21.237 -13.140 266 H ASP 32 H ASP 32 19.066 15.347 -10.152 267 HA ASP 32 HA ASP 32 21.885 15.629 -9.721 268 HB2 ASP 32 2HB ASP 32 19.481 15.220 -8.046 269 HB3 ASP 32 3HB ASP 32 20.987 14.587 -7.389 270 H LYS 33 H LYS 33 19.974 13.108 -10.804 271 HA LYS 33 HA LYS 33 21.828 11.067 -9.780 272 HB2 LYS 33 2HB LYS 33 19.226 10.935 -9.516 273 HB3 LYS 33 3HB LYS 33 19.269 10.411 -11.194 274 HG2 LYS 33 2HG LYS 33 19.750 8.354 -10.547 275 HG3 LYS 33 3HG LYS 33 21.223 8.932 -9.764 276 HD2 LYS 33 2HD LYS 33 19.318 9.680 -7.966 277 HD3 LYS 33 3HD LYS 33 18.633 8.183 -8.603 278 HE2 LYS 33 2HE LYS 33 21.506 8.111 -7.940 279 HE3 LYS 33 3HE LYS 33 20.407 8.286 -6.573 280 HZ1 LYS 33 3HZ LYS 33 19.429 6.255 -6.990 281 HZ2 LYS 33 1HZ LYS 33 21.045 5.941 -7.379 282 HZ3 LYS 33 2HZ LYS 33 19.917 6.214 -8.609 283 H GLU 34 H GLU 34 20.275 12.278 -12.719 284 HA GLU 34 HA GLU 34 22.352 10.891 -14.283 285 HB2 GLU 34 2HB GLU 34 19.423 11.248 -14.845 286 HB3 GLU 34 3HB GLU 34 20.565 11.015 -16.161 287 HG2 GLU 34 2HG GLU 34 19.889 8.867 -15.783 288 HG3 GLU 34 3HG GLU 34 21.322 8.950 -14.760 289 H GLY 35 H GLY 35 20.378 13.766 -13.875 290 HA2 GLY 35 2HA GLY 35 20.998 15.960 -14.355 291 HA3 GLY 35 3HA GLY 35 22.409 15.349 -15.205 292 H ILE 36 H ILE 36 19.437 13.899 -16.068 293 HA ILE 36 HA ILE 36 19.622 14.643 -18.761 294 HB ILE 36 HB ILE 36 17.199 13.675 -17.238 295 HG12 ILE 36 2HG1 ILE 36 19.078 12.112 -17.141 296 HG13 ILE 36 3HG1 ILE 36 17.800 11.474 -18.170 297 HG21 ILE 36 1HG2 ILE 36 17.191 12.942 -19.994 298 HG22 ILE 36 2HG2 ILE 36 16.014 13.901 -19.098 299 HG23 ILE 36 3HG2 ILE 36 17.392 14.689 -19.865 300 HD11 ILE 36 3HD1 ILE 36 19.844 11.021 -19.252 301 HD12 ILE 36 1HD1 ILE 36 19.098 12.353 -20.133 302 HD13 ILE 36 2HD1 ILE 36 20.421 12.669 -19.010 303 HA PRO 37 HA PRO 37 18.039 18.786 -18.580 304 HB2 PRO 37 2HB PRO 37 17.888 19.175 -21.263 305 HB3 PRO 37 3HB PRO 37 19.413 19.215 -20.371 306 HG2 PRO 37 2HG PRO 37 18.221 16.994 -21.986 307 HG3 PRO 37 3HG PRO 37 19.900 17.562 -21.932 308 HD2 PRO 37 2HD PRO 37 19.062 15.364 -20.591 309 HD3 PRO 37 3HD PRO 37 20.358 16.416 -19.986 310 HA PRO 38 HA PRO 38 13.710 17.572 -18.960 311 HB2 PRO 38 2HB PRO 38 12.759 19.691 -17.554 312 HB3 PRO 38 3HB PRO 38 13.448 18.258 -16.783 313 HG2 PRO 38 2HG PRO 38 14.720 20.913 -17.328 314 HG3 PRO 38 3HG PRO 38 14.813 19.905 -15.872 315 HD2 PRO 38 2HD PRO 38 16.789 19.978 -17.722 316 HD3 PRO 38 3HD PRO 38 16.416 18.520 -16.781 317 H ASP 39 H ASP 39 15.458 20.025 -20.371 318 HA ASP 39 HA ASP 39 13.333 21.664 -21.356 319 HB2 ASP 39 2HB ASP 39 16.261 21.413 -21.885 320 HB3 ASP 39 3HB ASP 39 15.268 22.259 -23.068 321 H GLN 40 H GLN 40 14.808 18.695 -22.350 322 HA GLN 40 HA GLN 40 13.296 18.785 -24.876 323 HB2 GLN 40 2HB GLN 40 15.919 18.445 -24.742 324 HB3 GLN 40 3HB GLN 40 15.458 16.779 -24.417 325 HG2 GLN 40 2HG GLN 40 15.610 16.646 -26.663 326 HG3 GLN 40 3HG GLN 40 13.939 17.196 -26.555 327 HE21 GLN 40 1HE2 GLN 40 13.512 19.449 -26.875 328 HE22 GLN 40 2HE2 GLN 40 14.568 20.399 -27.858 329 H GLN 41 H GLN 41 12.945 17.711 -21.873 330 HA GLN 41 HA GLN 41 11.965 15.042 -22.568 331 HB2 GLN 41 2HB GLN 41 12.704 14.489 -20.539 332 HB3 GLN 41 3HB GLN 41 13.190 16.156 -20.259 333 HG2 GLN 41 2HG GLN 41 11.017 16.679 -19.350 334 HG3 GLN 41 3HG GLN 41 10.441 15.055 -19.723 335 HE21 GLN 41 1HE2 GLN 41 11.976 13.308 -18.783 336 HE22 GLN 41 2HE2 GLN 41 12.402 13.530 -17.124 337 H ARG 42 H ARG 42 9.870 14.615 -22.817 338 HA ARG 42 HA ARG 42 7.928 16.649 -21.931 339 HB2 ARG 42 2HB ARG 42 8.299 15.300 -24.501 340 HB3 ARG 42 3HB ARG 42 6.648 15.209 -23.904 341 HG2 ARG 42 2HG ARG 42 6.670 17.679 -23.636 342 HG3 ARG 42 3HG ARG 42 8.261 17.699 -24.401 343 HD2 ARG 42 2HD ARG 42 7.251 16.577 -26.380 344 HD3 ARG 42 3HD ARG 42 5.671 16.748 -25.616 345 HE ARG 42 HE ARG 42 6.643 19.278 -25.636 346 HH11 ARG 42 1HH1 ARG 42 6.224 16.837 -28.082 347 HH12 ARG 42 2HH1 ARG 42 5.974 17.977 -29.362 348 HH21 ARG 42 1HH2 ARG 42 6.314 20.789 -27.313 349 HH22 ARG 42 2HH2 ARG 42 6.026 20.225 -28.924 350 H LEU 43 H LEU 43 7.062 15.874 -20.103 351 HA LEU 43 HA LEU 43 6.612 13.053 -19.709 352 HB2 LEU 43 2HB LEU 43 5.815 15.417 -18.016 353 HB3 LEU 43 3HB LEU 43 5.716 13.726 -17.531 354 HG LEU 43 HG LEU 43 7.667 14.215 -16.510 355 HD11 LEU 43 1HD1 LEU 43 8.811 13.997 -19.283 356 HD12 LEU 43 2HD1 LEU 43 8.168 12.622 -18.386 357 HD13 LEU 43 3HD1 LEU 43 9.555 13.512 -17.760 358 HD21 LEU 43 3HD2 LEU 43 7.750 16.473 -18.432 359 HD22 LEU 43 1HD2 LEU 43 9.272 15.954 -17.708 360 HD23 LEU 43 2HD2 LEU 43 7.935 16.468 -16.678 361 H ILE 44 H ILE 44 4.790 11.957 -20.072 362 HA ILE 44 HA ILE 44 2.258 13.407 -20.317 363 HB ILE 44 HB ILE 44 1.893 11.623 -22.296 364 HG12 ILE 44 2HG1 ILE 44 4.714 12.561 -22.779 365 HG13 ILE 44 3HG1 ILE 44 4.379 11.011 -22.014 366 HG21 ILE 44 1HG2 ILE 44 1.495 14.091 -22.280 367 HG22 ILE 44 2HG2 ILE 44 3.178 14.307 -22.755 368 HG23 ILE 44 3HG2 ILE 44 2.064 13.452 -23.821 369 HD11 ILE 44 3HD1 ILE 44 3.909 11.889 -24.814 370 HD12 ILE 44 1HD1 ILE 44 4.602 10.388 -24.199 371 HD13 ILE 44 2HD1 ILE 44 2.860 10.656 -24.113 372 H PHE 45 H PHE 45 0.522 12.318 -19.549 373 HA PHE 45 HA PHE 45 0.587 9.453 -19.179 374 HB2 PHE 45 2HB PHE 45 0.069 11.030 -16.689 375 HB3 PHE 45 3HB PHE 45 0.589 9.357 -16.862 376 HD1 PHE 45 HD1 PHE 45 1.657 12.848 -16.781 377 HD2 PHE 45 HD2 PHE 45 2.918 8.803 -17.192 378 HE1 PHE 45 HE1 PHE 45 3.988 13.539 -16.400 379 HE2 PHE 45 HE2 PHE 45 5.250 9.488 -16.811 380 HZ PHE 45 HZ PHE 45 5.788 11.859 -16.414 381 H ALA 46 H ALA 46 -1.424 8.572 -19.130 382 HA ALA 46 HA ALA 46 -3.690 8.409 -19.281 383 HB1 ALA 46 1HB ALA 46 -4.374 11.004 -18.148 384 HB2 ALA 46 2HB ALA 46 -4.804 9.381 -17.608 385 HB3 ALA 46 3HB ALA 46 -3.253 10.082 -17.147 386 H GLY 47 H GLY 47 -1.995 9.959 -21.257 387 HA2 GLY 47 2HA GLY 47 -2.509 10.775 -23.367 388 HA3 GLY 47 3HA GLY 47 -4.201 10.837 -22.897 389 H LYS 48 H LYS 48 -2.612 12.354 -20.484 390 HA LYS 48 HA LYS 48 -2.927 14.986 -21.771 391 HB2 LYS 48 2HB LYS 48 -3.815 13.920 -19.183 392 HB3 LYS 48 3HB LYS 48 -3.030 15.490 -19.076 393 HG2 LYS 48 2HG LYS 48 -5.239 14.963 -21.033 394 HG3 LYS 48 3HG LYS 48 -5.560 15.446 -19.366 395 HD2 LYS 48 2HD LYS 48 -4.300 17.487 -19.676 396 HD3 LYS 48 3HD LYS 48 -3.836 16.988 -21.304 397 HE2 LYS 48 2HE LYS 48 -6.477 16.818 -21.574 398 HE3 LYS 48 3HE LYS 48 -6.426 18.024 -20.290 399 HZ1 LYS 48 3HZ LYS 48 -4.559 18.889 -22.068 400 HZ2 LYS 48 1HZ LYS 48 -6.134 19.489 -21.920 401 HZ3 LYS 48 2HZ LYS 48 -5.787 18.297 -23.068 402 H GLN 49 H GLN 49 -1.302 16.450 -21.641 403 HA GLN 49 HA GLN 49 1.296 15.501 -20.904 404 HB2 GLN 49 2HB GLN 49 2.014 17.822 -21.552 405 HB3 GLN 49 3HB GLN 49 1.160 16.932 -22.806 406 HG2 GLN 49 2HG GLN 49 -0.535 18.387 -22.860 407 HG3 GLN 49 3HG GLN 49 -0.571 18.563 -21.106 408 HE21 GLN 49 1HE2 GLN 49 -0.982 20.828 -21.763 409 HE22 GLN 49 2HE2 GLN 49 0.382 21.855 -22.020 410 H LEU 50 H LEU 50 2.230 15.623 -18.979 411 HA LEU 50 HA LEU 50 0.953 16.901 -16.775 412 HB2 LEU 50 2HB LEU 50 2.168 14.901 -16.363 413 HB3 LEU 50 3HB LEU 50 3.626 15.561 -17.103 414 HG LEU 50 HG LEU 50 3.566 17.266 -15.164 415 HD11 LEU 50 1HD1 LEU 50 1.647 17.064 -13.990 416 HD12 LEU 50 2HD1 LEU 50 2.573 15.833 -13.132 417 HD13 LEU 50 3HD1 LEU 50 1.444 15.360 -14.401 418 HD21 LEU 50 3HD2 LEU 50 5.039 15.131 -15.576 419 HD22 LEU 50 1HD2 LEU 50 4.134 14.507 -14.197 420 HD23 LEU 50 2HD2 LEU 50 5.088 15.981 -14.030 421 H GLU 51 H GLU 51 1.167 18.915 -16.057 422 HA GLU 51 HA GLU 51 3.062 20.689 -17.354 423 HB2 GLU 51 2HB GLU 51 0.830 21.177 -15.381 424 HB3 GLU 51 3HB GLU 51 1.880 22.449 -15.988 425 HG2 GLU 51 2HG GLU 51 0.337 20.690 -17.853 426 HG3 GLU 51 3HG GLU 51 -0.397 22.108 -17.105 427 H ASP 52 H ASP 52 4.766 21.704 -16.397 428 HA ASP 52 HA ASP 52 6.059 20.460 -14.246 429 HB2 ASP 52 2HB ASP 52 6.538 22.745 -15.990 430 HB3 ASP 52 3HB ASP 52 7.140 23.015 -14.356 431 H GLY 53 H GLY 53 3.625 22.893 -14.318 432 HA2 GLY 53 2HA GLY 53 4.186 23.788 -11.599 433 HA3 GLY 53 3HA GLY 53 2.937 24.413 -12.665 434 H ARG 54 H ARG 54 2.964 21.045 -12.626 435 HA ARG 54 HA ARG 54 0.651 21.035 -10.813 436 HB2 ARG 54 2HB ARG 54 1.433 19.280 -13.129 437 HB3 ARG 54 3HB ARG 54 0.224 18.770 -11.958 438 HG2 ARG 54 2HG ARG 54 -0.041 21.415 -13.316 439 HG3 ARG 54 3HG ARG 54 -0.511 19.935 -14.154 440 HD2 ARG 54 2HD ARG 54 -1.809 19.456 -11.929 441 HD3 ARG 54 3HD ARG 54 -1.690 21.203 -11.724 442 HE ARG 54 HE ARG 54 -3.399 19.802 -13.526 443 HH11 ARG 54 1HH1 ARG 54 -1.585 22.743 -13.102 444 HH12 ARG 54 2HH1 ARG 54 -2.599 23.674 -14.153 445 HH21 ARG 54 1HH2 ARG 54 -4.741 21.018 -14.913 446 HH22 ARG 54 2HH2 ARG 54 -4.395 22.692 -15.183 447 H THR 55 H THR 55 0.349 19.140 -9.442 448 HA THR 55 HA THR 55 2.930 18.057 -8.520 449 HB THR 55 HB THR 55 2.138 18.009 -6.305 450 HG1 THR 55 HG1 THR 55 -0.165 18.600 -5.926 451 HG21 THR 55 3HG2 THR 55 1.797 20.250 -5.817 452 HG22 THR 55 1HG2 THR 55 0.766 20.506 -7.223 453 HG23 THR 55 2HG2 THR 55 2.509 20.330 -7.428 454 H LEU 56 H LEU 56 2.830 15.900 -7.507 455 HA LEU 56 HA LEU 56 1.696 13.999 -9.218 456 HB2 LEU 56 2HB LEU 56 3.404 14.020 -6.960 457 HB3 LEU 56 3HB LEU 56 2.126 12.847 -6.645 458 HG LEU 56 HG LEU 56 2.699 11.761 -8.827 459 HD11 LEU 56 1HD1 LEU 56 5.018 12.288 -9.672 460 HD12 LEU 56 2HD1 LEU 56 4.934 13.770 -8.720 461 HD13 LEU 56 3HD1 LEU 56 3.777 13.491 -10.021 462 HD21 LEU 56 3HD2 LEU 56 5.164 11.201 -7.779 463 HD22 LEU 56 1HD2 LEU 56 3.649 10.443 -7.290 464 HD23 LEU 56 2HD2 LEU 56 4.286 11.809 -6.375 465 H SER 57 H SER 57 0.725 14.939 -5.922 466 HA SER 57 HA SER 57 -1.486 13.259 -5.693 467 HB2 SER 57 2HB SER 57 -1.126 14.191 -3.656 468 HB3 SER 57 3HB SER 57 -0.519 15.698 -4.343 469 HG SER 57 HG SER 57 -2.544 16.465 -4.495 470 H ASP 58 H ASP 58 -1.155 16.408 -7.211 471 HA ASP 58 HA ASP 58 -3.887 16.972 -7.570 472 HB2 ASP 58 2HB ASP 58 -1.759 18.459 -7.934 473 HB3 ASP 58 3HB ASP 58 -1.835 17.832 -9.578 474 H TYR 59 H TYR 59 -1.692 14.885 -9.270 475 HA TYR 59 HA TYR 59 -3.479 14.559 -11.534 476 HB2 TYR 59 2HB TYR 59 -0.703 14.095 -11.026 477 HB3 TYR 59 3HB TYR 59 -1.437 12.584 -11.549 478 HD1 TYR 59 HD1 TYR 59 -1.278 16.194 -12.488 479 HD2 TYR 59 HD2 TYR 59 -1.662 12.170 -13.819 480 HE1 TYR 59 HE1 TYR 59 -1.178 16.962 -14.823 481 HE2 TYR 59 HE2 TYR 59 -1.562 12.928 -16.156 482 HH TYR 59 HH TYR 59 -0.932 16.300 -16.971 483 H ASN 60 H ASN 60 -3.519 13.468 -8.468 484 HA ASN 60 HA ASN 60 -4.461 11.708 -7.375 485 HB2 ASN 60 2HB ASN 60 -6.020 12.063 -9.847 486 HB3 ASN 60 3HB ASN 60 -6.192 10.479 -9.097 487 HD21 ASN 60 1HD2 ASN 60 -8.428 11.270 -8.872 488 HD22 ASN 60 2HD2 ASN 60 -8.828 12.190 -7.466 489 H ILE 61 H ILE 61 -1.978 11.194 -8.653 490 HA ILE 61 HA ILE 61 -2.026 8.715 -10.045 491 HB ILE 61 HB ILE 61 0.260 10.002 -8.547 492 HG12 ILE 61 2HG1 ILE 61 -0.542 11.495 -10.265 493 HG13 ILE 61 3HG1 ILE 61 0.954 10.757 -10.828 494 HG21 ILE 61 1HG2 ILE 61 0.050 7.612 -10.308 495 HG22 ILE 61 2HG2 ILE 61 1.508 8.600 -10.391 496 HG23 ILE 61 3HG2 ILE 61 1.025 7.868 -8.861 497 HD11 ILE 61 3HD1 ILE 61 -0.629 9.053 -11.975 498 HD12 ILE 61 1HD1 ILE 61 -1.843 10.314 -11.758 499 HD13 ILE 61 2HD1 ILE 61 -0.383 10.645 -12.692 500 H GLN 62 H GLN 62 -3.158 7.179 -8.897 501 HA GLN 62 HA GLN 62 -2.685 6.642 -6.136 502 HB2 GLN 62 2HB GLN 62 -4.128 4.704 -6.466 503 HB3 GLN 62 3HB GLN 62 -4.832 6.133 -7.212 504 HG2 GLN 62 2HG GLN 62 -3.591 5.214 -9.344 505 HG3 GLN 62 3HG GLN 62 -3.715 3.687 -8.470 506 HE21 GLN 62 1HE2 GLN 62 -6.124 3.916 -7.239 507 HE22 GLN 62 2HE2 GLN 62 -7.387 4.002 -8.415 508 H LYS 63 H LYS 63 -2.229 4.201 -5.565 509 HA LYS 63 HA LYS 63 0.479 3.715 -6.368 510 HB2 LYS 63 2HB LYS 63 0.334 1.782 -4.823 511 HB3 LYS 63 3HB LYS 63 -0.171 3.292 -4.076 512 HG2 LYS 63 2HG LYS 63 -2.134 2.421 -3.549 513 HG3 LYS 63 3HG LYS 63 -2.444 2.004 -5.236 514 HD2 LYS 63 2HD LYS 63 -1.107 -0.061 -4.921 515 HD3 LYS 63 3HD LYS 63 -0.940 0.347 -3.211 516 HE2 LYS 63 2HE LYS 63 -3.633 0.534 -3.559 517 HE3 LYS 63 3HE LYS 63 -3.226 -0.765 -4.679 518 HZ1 LYS 63 3HZ LYS 63 -3.384 -0.838 -1.855 519 HZ2 LYS 63 1HZ LYS 63 -1.829 -1.284 -2.352 520 HZ3 LYS 63 2HZ LYS 63 -3.177 -2.117 -2.943 521 H GLU 64 H GLU 64 1.304 2.032 -7.571 522 HA GLU 64 HA GLU 64 1.355 0.261 -9.020 523 HB2 GLU 64 2HB GLU 64 -0.731 -0.424 -7.440 524 HB3 GLU 64 3HB GLU 64 -1.560 -0.242 -8.980 525 HG2 GLU 64 2HG GLU 64 0.160 -1.789 -9.964 526 HG3 GLU 64 3HG GLU 64 0.704 -2.100 -8.316 527 H SER 65 H SER 65 0.512 3.111 -9.605 528 HA SER 65 HA SER 65 -1.137 2.859 -11.970 529 HB2 SER 65 2HB SER 65 -1.535 4.856 -10.785 530 HB3 SER 65 3HB SER 65 0.186 5.176 -10.572 531 HG SER 65 HG SER 65 -1.461 5.656 -12.760 532 H THR 66 H THR 66 -0.481 3.211 -14.086 533 HA THR 66 HA THR 66 2.388 2.805 -14.553 534 HB THR 66 HB THR 66 1.030 1.100 -15.572 535 HG1 THR 66 HG1 THR 66 1.427 2.005 -17.950 536 HG21 THR 66 3HG2 THR 66 -1.095 2.256 -15.693 537 HG22 THR 66 1HG2 THR 66 -0.658 1.661 -17.295 538 HG23 THR 66 2HG2 THR 66 -0.454 3.369 -16.902 539 H LEU 67 H LEU 67 3.607 4.285 -15.564 540 HA LEU 67 HA LEU 67 2.242 6.618 -16.738 541 HB2 LEU 67 2HB LEU 67 4.698 6.433 -15.032 542 HB3 LEU 67 3HB LEU 67 4.448 7.802 -16.113 543 HG LEU 67 HG LEU 67 2.325 8.291 -14.916 544 HD11 LEU 67 1HD1 LEU 67 1.501 6.505 -13.818 545 HD12 LEU 67 2HD1 LEU 67 2.496 7.122 -12.499 546 HD13 LEU 67 3HD1 LEU 67 3.096 5.814 -13.519 547 HD21 LEU 67 3HD2 LEU 67 4.773 8.199 -13.156 548 HD22 LEU 67 1HD2 LEU 67 3.377 9.259 -12.959 549 HD23 LEU 67 2HD2 LEU 67 4.429 9.439 -14.364 550 H HIS 68 H HIS 68 3.069 7.485 -18.631 551 HA HIS 68 HA HIS 68 4.754 5.664 -20.167 552 HB2 HIS 68 2HB HIS 68 2.484 6.931 -20.872 553 HB3 HIS 68 3HB HIS 68 3.662 8.117 -21.427 554 HD1 HIS 68 HD1 HIS 68 2.829 7.520 -23.870 555 HD2 HIS 68 HD2 HIS 68 4.783 4.459 -21.852 556 HE1 HIS 68 HE1 HIS 68 3.432 5.831 -25.632 557 H LEU 69 H LEU 69 6.748 6.154 -20.931 558 HA LEU 69 HA LEU 69 7.834 8.805 -20.240 559 HB2 LEU 69 2HB LEU 69 8.746 6.146 -19.547 560 HB3 LEU 69 3HB LEU 69 9.991 7.057 -20.399 561 HG LEU 69 HG LEU 69 8.601 7.905 -17.858 562 HD11 LEU 69 1HD1 LEU 69 11.173 7.721 -17.195 563 HD12 LEU 69 2HD1 LEU 69 11.128 6.482 -18.449 564 HD13 LEU 69 3HD1 LEU 69 10.055 6.364 -17.054 565 HD21 LEU 69 3HD2 LEU 69 9.316 9.961 -18.275 566 HD22 LEU 69 1HD2 LEU 69 9.952 9.434 -19.833 567 HD23 LEU 69 2HD2 LEU 69 10.972 9.365 -18.397 568 H VAL 70 H VAL 70 8.812 9.913 -21.824 569 HA VAL 70 HA VAL 70 9.144 8.564 -24.419 570 HB VAL 70 HB VAL 70 7.566 10.569 -24.195 571 HG11 VAL 70 1HG1 VAL 70 9.481 11.793 -22.869 572 HG12 VAL 70 2HG1 VAL 70 9.985 12.280 -24.488 573 HG13 VAL 70 3HG1 VAL 70 8.373 12.693 -23.904 574 HG21 VAL 70 3HG2 VAL 70 9.779 10.744 -26.239 575 HG22 VAL 70 1HG2 VAL 70 8.398 9.650 -26.332 576 HG23 VAL 70 2HG2 VAL 70 8.147 11.395 -26.393 577 H LEU 71 H LEU 71 10.978 9.088 -25.720 578 HA LEU 71 HA LEU 71 13.299 9.986 -24.141 579 HB2 LEU 71 2HB LEU 71 12.875 7.564 -25.475 580 HB3 LEU 71 3HB LEU 71 14.001 8.466 -26.487 581 HG LEU 71 HG LEU 71 14.770 8.516 -23.687 582 HD11 LEU 71 1HD1 LEU 71 13.558 6.230 -24.067 583 HD12 LEU 71 2HD1 LEU 71 15.107 6.293 -23.228 584 HD13 LEU 71 3HD1 LEU 71 15.043 5.818 -24.926 585 HD21 LEU 71 3HD2 LEU 71 16.781 8.648 -24.633 586 HD22 LEU 71 1HD2 LEU 71 15.949 8.700 -26.188 587 HD23 LEU 71 2HD2 LEU 71 16.528 7.161 -25.550 588 H ARG 72 H ARG 72 15.022 11.045 -25.353 589 HA ARG 72 HA ARG 72 13.935 12.632 -27.581 590 HB2 ARG 72 2HB ARG 72 16.372 13.519 -26.125 591 HB3 ARG 72 3HB ARG 72 15.068 14.472 -26.820 592 HG2 ARG 72 2HG ARG 72 14.634 14.802 -24.618 593 HG3 ARG 72 3HG ARG 72 13.687 13.334 -24.874 594 HD2 ARG 72 2HD ARG 72 16.358 12.577 -24.270 595 HD3 ARG 72 3HD ARG 72 15.842 13.767 -23.076 596 HE ARG 72 HE ARG 72 13.778 11.937 -23.322 597 HH11 ARG 72 1HH1 ARG 72 17.119 11.934 -22.343 598 HH12 ARG 72 2HH1 ARG 72 16.927 10.620 -21.230 599 HH21 ARG 72 1HH2 ARG 72 13.513 10.207 -21.860 600 HH22 ARG 72 2HH2 ARG 72 14.875 9.638 -20.956 601 H LEU 73 H LEU 73 14.707 12.163 -29.522 602 HA LEU 73 HA LEU 73 17.130 10.596 -29.799 603 HB2 LEU 73 2HB LEU 73 14.773 10.669 -31.173 604 HB3 LEU 73 3HB LEU 73 15.836 11.593 -32.233 605 HG LEU 73 HG LEU 73 17.118 9.152 -31.396 606 HD11 LEU 73 1HD1 LEU 73 15.411 7.864 -32.997 607 HD12 LEU 73 2HD1 LEU 73 14.287 8.981 -32.226 608 HD13 LEU 73 3HD1 LEU 73 15.252 7.883 -31.241 609 HD21 LEU 73 3HD2 LEU 73 17.852 9.188 -33.523 610 HD22 LEU 73 1HD2 LEU 73 17.209 10.830 -33.513 611 HD23 LEU 73 2HD2 LEU 73 16.248 9.512 -34.183 612 H ARG 74 H ARG 74 18.918 11.202 -31.097 613 HA ARG 74 HA ARG 74 19.244 14.118 -31.373 614 HB2 ARG 74 2HB ARG 74 20.906 12.095 -30.114 615 HB3 ARG 74 3HB ARG 74 21.795 13.000 -31.332 616 HG2 ARG 74 2HG ARG 74 21.478 15.033 -30.222 617 HG3 ARG 74 3HG ARG 74 20.177 14.382 -29.222 618 HD2 ARG 74 2HD ARG 74 21.604 13.508 -27.718 619 HD3 ARG 74 3HD ARG 74 22.746 12.989 -28.958 620 HE ARG 74 HE ARG 74 22.860 15.387 -27.422 621 HH11 ARG 74 1HH1 ARG 74 23.628 14.012 -30.526 622 HH12 ARG 74 2HH1 ARG 74 24.918 15.124 -30.846 623 HH21 ARG 74 1HH2 ARG 74 24.555 16.857 -27.831 624 HH22 ARG 74 2HH2 ARG 74 25.445 16.742 -29.311 625 H GLY 75 H GLY 75 19.076 14.666 -33.449 626 HA2 GLY 75 2HA GLY 75 20.323 14.746 -35.552 627 HA3 GLY 75 3HA GLY 75 20.509 13.003 -35.425 628 H GLY 76 H GLY 76 18.798 15.438 -36.897 629 HA2 GLY 76 2HA GLY 76 17.151 13.725 -38.369 630 HA3 GLY 76 3HA GLY 76 16.192 14.365 -37.042 Start of MODEL 11 1 H1 GLY 0 H GLY 0 -0.502 5.979 -6.540 2 HA2 GLY 0 2HA GLY 0 -0.988 8.040 -4.647 3 HA3 GLY 0 3HA GLY 0 -1.296 6.326 -4.410 4 H MET 1 H MET 1 1.326 5.361 -4.740 5 HA MET 1 HA MET 1 2.992 6.763 -2.822 6 HB2 MET 1 2HB MET 1 1.610 5.458 -1.333 7 HB3 MET 1 3HB MET 1 1.882 4.005 -2.285 8 HG2 MET 1 2HG MET 1 4.247 4.050 -1.683 9 HG3 MET 1 3HG MET 1 3.975 5.508 -0.732 10 HE1 MET 1 3HE MET 1 5.288 2.739 -0.064 11 HE2 MET 1 1HE MET 1 5.222 3.703 1.412 12 HE3 MET 1 2HE MET 1 4.592 2.056 1.406 13 H GLN 2 H GLN 2 2.858 3.380 -3.920 14 HA GLN 2 HA GLN 2 5.607 3.643 -4.877 15 HB2 GLN 2 2HB GLN 2 4.125 1.570 -3.608 16 HB3 GLN 2 3HB GLN 2 4.611 0.990 -5.195 17 HG2 GLN 2 2HG GLN 2 6.932 1.507 -4.694 18 HG3 GLN 2 3HG GLN 2 6.460 2.140 -3.117 19 HE21 GLN 2 1HE2 GLN 2 4.812 0.380 -2.078 20 HE22 GLN 2 2HE2 GLN 2 5.532 -1.183 -1.939 21 H ILE 3 H ILE 3 5.965 4.050 -6.947 22 HA ILE 3 HA ILE 3 4.192 2.860 -8.960 23 HB ILE 3 HB ILE 3 4.386 4.983 -10.299 24 HG12 ILE 3 2HG1 ILE 3 4.687 6.731 -8.029 25 HG13 ILE 3 3HG1 ILE 3 6.107 5.702 -8.183 26 HG21 ILE 3 1HG2 ILE 3 2.395 5.730 -9.495 27 HG22 ILE 3 2HG2 ILE 3 2.477 4.195 -8.631 28 HG23 ILE 3 3HG2 ILE 3 2.932 5.692 -7.815 29 HD11 ILE 3 3HD1 ILE 3 5.222 6.845 -10.712 30 HD12 ILE 3 1HD1 ILE 3 5.688 8.048 -9.510 31 HD13 ILE 3 2HD1 ILE 3 6.829 6.789 -9.987 32 H PHE 4 H PHE 4 5.148 2.664 -11.074 33 HA PHE 4 HA PHE 4 8.093 2.758 -11.036 34 HB2 PHE 4 2HB PHE 4 8.190 0.565 -11.464 35 HB3 PHE 4 3HB PHE 4 6.444 0.481 -11.253 36 HD1 PHE 4 HD2 PHE 4 9.102 1.058 -13.767 37 HD2 PHE 4 HD1 PHE 4 5.039 0.008 -13.058 38 HE1 PHE 4 HE2 PHE 4 8.852 0.441 -16.136 39 HE2 PHE 4 HE1 PHE 4 4.782 -0.611 -15.425 40 HZ PHE 4 HZ PHE 4 6.689 -0.393 -16.968 41 H VAL 5 H VAL 5 9.084 3.661 -12.754 42 HA VAL 5 HA VAL 5 7.354 4.697 -14.894 43 HB VAL 5 HB VAL 5 9.117 6.340 -15.332 44 HG11 VAL 5 1HG1 VAL 5 7.438 6.232 -13.091 45 HG12 VAL 5 2HG1 VAL 5 8.978 6.871 -12.514 46 HG13 VAL 5 3HG1 VAL 5 8.135 7.665 -13.844 47 HG21 VAL 5 3HG2 VAL 5 10.778 6.279 -13.136 48 HG22 VAL 5 1HG2 VAL 5 10.636 4.579 -13.583 49 HG23 VAL 5 2HG2 VAL 5 11.200 5.758 -14.767 50 H LYS 6 H LYS 6 7.635 4.092 -16.954 51 HA LYS 6 HA LYS 6 9.785 2.181 -17.526 52 HB2 LYS 6 2HB LYS 6 7.321 1.630 -17.935 53 HB3 LYS 6 3HB LYS 6 7.402 2.765 -19.276 54 HG2 LYS 6 2HG LYS 6 9.311 1.393 -20.175 55 HG3 LYS 6 3HG LYS 6 8.916 0.191 -18.944 56 HD2 LYS 6 2HD LYS 6 6.511 0.374 -19.921 57 HD3 LYS 6 3HD LYS 6 7.328 1.061 -21.327 58 HE2 LYS 6 2HE LYS 6 8.296 -1.507 -20.143 59 HE3 LYS 6 3HE LYS 6 6.882 -1.505 -21.197 60 HZ1 LYS 6 3HZ LYS 6 9.656 -1.208 -21.864 61 HZ2 LYS 6 1HZ LYS 6 8.688 -0.006 -22.557 62 HZ3 LYS 6 2HZ LYS 6 8.349 -1.637 -22.848 63 H THR 7 H THR 7 11.170 2.428 -19.265 64 HA THR 7 HA THR 7 11.301 5.153 -20.361 65 HB THR 7 HB THR 7 13.642 3.506 -20.872 66 HG1 THR 7 HG1 THR 7 12.597 3.642 -18.271 67 HG21 THR 7 3HG2 THR 7 14.810 5.428 -20.081 68 HG22 THR 7 1HG2 THR 7 13.381 6.028 -19.241 69 HG23 THR 7 2HG2 THR 7 13.425 6.013 -21.004 70 H LEU 8 H LEU 8 12.538 5.134 -22.577 71 HA LEU 8 HA LEU 8 10.895 3.567 -24.373 72 HB2 LEU 8 2HB LEU 8 11.434 6.013 -24.678 73 HB3 LEU 8 3HB LEU 8 13.072 5.514 -25.096 74 HG LEU 8 HG LEU 8 11.365 4.027 -26.757 75 HD11 LEU 8 1HD1 LEU 8 10.507 6.894 -26.477 76 HD12 LEU 8 2HD1 LEU 8 9.511 5.441 -26.389 77 HD13 LEU 8 3HD1 LEU 8 10.208 5.939 -27.930 78 HD21 LEU 8 3HD2 LEU 8 12.341 5.870 -28.412 79 HD22 LEU 8 1HD2 LEU 8 13.337 4.582 -27.735 80 HD23 LEU 8 2HD2 LEU 8 13.371 6.192 -27.017 81 H THR 9 H THR 9 13.588 2.861 -22.734 82 HA THR 9 HA THR 9 14.838 1.372 -24.944 83 HB THR 9 HB THR 9 16.355 1.331 -22.474 84 HG1 THR 9 HG1 THR 9 15.520 3.831 -23.520 85 HG21 THR 9 3HG2 THR 9 17.015 2.531 -25.164 86 HG22 THR 9 1HG2 THR 9 17.178 0.819 -24.774 87 HG23 THR 9 2HG2 THR 9 18.153 2.015 -23.919 88 H GLY 10 H GLY 10 12.460 0.746 -23.060 89 HA2 GLY 10 2HA GLY 10 11.550 -1.224 -22.289 90 HA3 GLY 10 3HA GLY 10 12.977 -2.054 -22.891 91 H LYS 11 H LYS 11 13.685 0.525 -20.802 92 HA LYS 11 HA LYS 11 14.522 -1.352 -18.741 93 HB2 LYS 11 2HB LYS 11 15.016 1.601 -19.134 94 HB3 LYS 11 3HB LYS 11 15.594 0.700 -17.739 95 HG2 LYS 11 2HG LYS 11 16.418 -0.758 -19.982 96 HG3 LYS 11 3HG LYS 11 16.739 0.937 -20.355 97 HD2 LYS 11 2HD LYS 11 18.572 0.803 -19.103 98 HD3 LYS 11 3HD LYS 11 17.538 0.571 -17.692 99 HE2 LYS 11 2HE LYS 11 17.558 -1.849 -18.090 100 HE3 LYS 11 3HE LYS 11 18.605 -1.607 -19.488 101 HZ1 LYS 11 3HZ LYS 11 19.745 -0.328 -17.263 102 HZ2 LYS 11 1HZ LYS 11 20.353 -1.630 -18.156 103 HZ3 LYS 11 2HZ LYS 11 19.353 -1.914 -16.822 104 H THR 12 H THR 12 13.477 -1.671 -16.887 105 HA THR 12 HA THR 12 11.169 0.036 -16.285 106 HB THR 12 HB THR 12 11.890 -2.725 -15.287 107 HG1 THR 12 HG1 THR 12 10.672 -3.359 -16.893 108 HG21 THR 12 3HG2 THR 12 10.243 -0.755 -14.073 109 HG22 THR 12 1HG2 THR 12 10.479 -2.434 -13.590 110 HG23 THR 12 2HG2 THR 12 9.193 -2.014 -14.722 111 H ILE 13 H ILE 13 11.429 1.566 -14.809 112 HA ILE 13 HA ILE 13 13.366 1.112 -12.634 113 HB ILE 13 HB ILE 13 12.474 3.775 -13.741 114 HG12 ILE 13 2HG1 ILE 13 15.142 2.395 -14.087 115 HG13 ILE 13 3HG1 ILE 13 13.877 2.410 -15.311 116 HG21 ILE 13 1HG2 ILE 13 13.304 4.607 -11.858 117 HG22 ILE 13 2HG2 ILE 13 13.823 3.007 -11.330 118 HG23 ILE 13 3HG2 ILE 13 14.888 3.993 -12.332 119 HD11 ILE 13 3HD1 ILE 13 14.396 5.082 -14.449 120 HD12 ILE 13 1HD1 ILE 13 15.909 4.296 -14.898 121 HD13 ILE 13 2HD1 ILE 13 14.577 4.369 -16.052 122 H THR 14 H THR 14 12.729 1.406 -10.556 123 HA THR 14 HA THR 14 9.902 2.124 -10.128 124 HB THR 14 HB THR 14 10.246 -0.188 -9.547 125 HG1 THR 14 HG1 THR 14 8.891 0.657 -8.068 126 HG21 THR 14 3HG2 THR 14 12.330 -0.799 -8.995 127 HG22 THR 14 1HG2 THR 14 11.927 -0.267 -7.364 128 HG23 THR 14 2HG2 THR 14 12.757 0.829 -8.469 129 H LEU 15 H LEU 15 9.384 3.601 -8.575 130 HA LEU 15 HA LEU 15 11.473 4.617 -6.811 131 HB2 LEU 15 2HB LEU 15 10.234 6.097 -9.052 132 HB3 LEU 15 3HB LEU 15 10.419 6.972 -7.533 133 HG LEU 15 HG LEU 15 12.701 5.611 -8.955 134 HD11 LEU 15 1HD1 LEU 15 12.003 8.538 -9.027 135 HD12 LEU 15 2HD1 LEU 15 11.641 7.406 -10.329 136 HD13 LEU 15 3HD1 LEU 15 13.315 7.722 -9.876 137 HD21 LEU 15 3HD2 LEU 15 13.423 5.923 -6.800 138 HD22 LEU 15 1HD2 LEU 15 12.410 7.345 -6.549 139 HD23 LEU 15 2HD2 LEU 15 13.876 7.467 -7.521 140 H GLU 16 H GLU 16 10.461 6.426 -5.372 141 HA GLU 16 HA GLU 16 7.714 5.628 -4.663 142 HB2 GLU 16 2HB GLU 16 9.913 6.367 -2.725 143 HB3 GLU 16 3HB GLU 16 8.277 5.878 -2.309 144 HG2 GLU 16 2HG GLU 16 8.649 3.663 -2.947 145 HG3 GLU 16 3HG GLU 16 10.097 4.078 -3.863 146 H VAL 17 H VAL 17 6.285 7.229 -4.285 147 HA VAL 17 HA VAL 17 7.207 9.940 -3.779 148 HB VAL 17 HB VAL 17 6.934 9.406 -6.355 149 HG11 VAL 17 1HG1 VAL 17 4.567 8.583 -5.914 150 HG12 VAL 17 2HG1 VAL 17 4.135 10.280 -5.695 151 HG13 VAL 17 3HG1 VAL 17 4.779 9.724 -7.241 152 HG21 VAL 17 3HG2 VAL 17 5.605 11.925 -5.931 153 HG22 VAL 17 1HG2 VAL 17 6.910 11.705 -4.764 154 HG23 VAL 17 2HG2 VAL 17 7.246 11.605 -6.492 155 H GLU 18 H GLU 18 5.138 11.431 -3.722 156 HA GLU 18 HA GLU 18 3.010 9.948 -2.324 157 HB2 GLU 18 2HB GLU 18 4.629 12.241 -1.463 158 HB3 GLU 18 3HB GLU 18 2.900 12.463 -1.237 159 HG2 GLU 18 2HG GLU 18 3.128 10.019 -0.212 160 HG3 GLU 18 3HG GLU 18 4.766 10.595 0.092 161 HA PRO 19 HA PRO 19 -0.002 11.922 -4.827 162 HB2 PRO 19 2HB PRO 19 -1.960 12.561 -3.059 163 HB3 PRO 19 3HB PRO 19 -1.618 10.899 -3.555 164 HG2 PRO 19 2HG PRO 19 -0.772 12.348 -1.076 165 HG3 PRO 19 3HG PRO 19 -1.380 10.691 -1.252 166 HD2 PRO 19 2HD PRO 19 1.255 11.255 -0.983 167 HD3 PRO 19 3HD PRO 19 0.665 9.879 -1.937 168 H SER 20 H SER 20 1.009 13.702 -1.965 169 HA SER 20 HA SER 20 -0.009 16.215 -2.988 170 HB2 SER 20 2HB SER 20 0.025 15.600 -0.529 171 HB3 SER 20 3HB SER 20 1.776 15.806 -0.584 172 HG SER 20 HG SER 20 -0.253 17.732 -0.907 173 H ASP 21 H ASP 21 2.511 14.395 -3.846 174 HA ASP 21 HA ASP 21 4.524 16.492 -3.969 175 HB2 ASP 21 2HB ASP 21 4.510 13.598 -4.127 176 HB3 ASP 21 3HB ASP 21 5.421 14.302 -5.460 177 H THR 22 H THR 22 5.122 17.585 -5.770 178 HA THR 22 HA THR 22 3.443 17.197 -8.152 179 HB THR 22 HB THR 22 3.195 19.416 -7.358 180 HG1 THR 22 HG1 THR 22 3.765 19.093 -9.679 181 HG21 THR 22 3HG2 THR 22 5.990 19.119 -6.627 182 HG22 THR 22 1HG2 THR 22 4.766 20.209 -5.978 183 HG23 THR 22 2HG2 THR 22 5.671 20.660 -7.423 184 H ILE 23 H ILE 23 4.395 17.348 -10.250 185 HA ILE 23 HA ILE 23 6.760 15.863 -10.553 186 HB ILE 23 HB ILE 23 5.083 15.887 -12.300 187 HG12 ILE 23 2HG1 ILE 23 7.740 15.866 -12.715 188 HG13 ILE 23 3HG1 ILE 23 6.569 15.674 -14.014 189 HG21 ILE 23 1HG2 ILE 23 4.937 17.952 -13.774 190 HG22 ILE 23 2HG2 ILE 23 4.162 18.048 -12.194 191 HG23 ILE 23 3HG2 ILE 23 5.727 18.817 -12.456 192 HD11 ILE 23 3HD1 ILE 23 6.843 17.884 -14.732 193 HD12 ILE 23 1HD1 ILE 23 7.657 18.356 -13.240 194 HD13 ILE 23 2HD1 ILE 23 8.472 17.301 -14.395 195 H GLU 24 H GLU 24 6.226 19.230 -10.090 196 HA GLU 24 HA GLU 24 8.715 20.109 -11.223 197 HB2 GLU 24 2HB GLU 24 6.813 21.627 -11.130 198 HB3 GLU 24 3HB GLU 24 6.769 21.502 -9.377 199 HG2 GLU 24 2HG GLU 24 9.368 22.301 -9.985 200 HG3 GLU 24 3HG GLU 24 8.328 23.240 -11.053 201 H ASN 25 H ASN 25 7.533 19.256 -8.023 202 HA ASN 25 HA ASN 25 9.896 20.126 -6.654 203 HB2 ASN 25 2HB ASN 25 7.559 19.888 -5.655 204 HB3 ASN 25 3HB ASN 25 7.865 18.154 -5.612 205 HD21 ASN 25 1HD2 ASN 25 8.142 17.685 -3.543 206 HD22 ASN 25 2HD2 ASN 25 9.245 18.475 -2.473 207 H VAL 26 H VAL 26 8.814 17.178 -8.161 208 HA VAL 26 HA VAL 26 10.732 15.454 -6.941 209 HB VAL 26 HB VAL 26 9.214 15.094 -9.529 210 HG11 VAL 26 1HG1 VAL 26 10.928 13.258 -7.894 211 HG12 VAL 26 2HG1 VAL 26 9.640 12.628 -8.923 212 HG13 VAL 26 3HG1 VAL 26 10.962 13.557 -9.631 213 HG21 VAL 26 3HG2 VAL 26 8.376 13.513 -7.239 214 HG22 VAL 26 1HG2 VAL 26 8.204 15.247 -6.966 215 HG23 VAL 26 2HG2 VAL 26 7.416 14.490 -8.350 216 H LYS 27 H LYS 27 10.732 17.558 -9.716 217 HA LYS 27 HA LYS 27 12.777 16.547 -11.256 218 HB2 LYS 27 2HB LYS 27 11.769 18.400 -12.195 219 HB3 LYS 27 3HB LYS 27 11.794 19.309 -10.690 220 HG2 LYS 27 2HG LYS 27 14.440 18.696 -11.800 221 HG3 LYS 27 3HG LYS 27 13.438 19.759 -12.792 222 HD2 LYS 27 2HD LYS 27 13.340 21.402 -11.162 223 HD3 LYS 27 3HD LYS 27 13.712 20.272 -9.858 224 HE2 LYS 27 2HE LYS 27 16.007 20.060 -10.751 225 HE3 LYS 27 3HE LYS 27 15.617 21.265 -11.977 226 HZ1 LYS 27 3HZ LYS 27 15.521 21.731 -9.045 227 HZ2 LYS 27 1HZ LYS 27 15.240 22.884 -10.251 228 HZ3 LYS 27 2HZ LYS 27 16.782 22.216 -10.063 229 H ALA 28 H ALA 28 13.014 18.527 -8.333 230 HA ALA 28 HA ALA 28 15.831 18.824 -8.394 231 HB1 ALA 28 1HB ALA 28 15.637 19.865 -6.341 232 HB2 ALA 28 2HB ALA 28 14.037 20.125 -7.039 233 HB3 ALA 28 3HB ALA 28 14.280 18.855 -5.840 234 H LYS 29 H LYS 29 13.679 16.431 -6.961 235 HA LYS 29 HA LYS 29 15.585 15.086 -5.388 236 HB2 LYS 29 2HB LYS 29 13.058 14.843 -5.308 237 HB3 LYS 29 3HB LYS 29 13.200 13.805 -6.721 238 HG2 LYS 29 2HG LYS 29 13.130 12.303 -4.963 239 HG3 LYS 29 3HG LYS 29 14.858 12.450 -5.292 240 HD2 LYS 29 2HD LYS 29 14.658 14.384 -3.492 241 HD3 LYS 29 3HD LYS 29 13.267 13.428 -2.977 242 HE2 LYS 29 2HE LYS 29 15.607 11.788 -3.496 243 HE3 LYS 29 3HE LYS 29 15.909 13.013 -2.264 244 HZ1 LYS 29 3HZ LYS 29 14.793 10.642 -1.767 245 HZ2 LYS 29 1HZ LYS 29 13.404 11.581 -2.000 246 HZ3 LYS 29 2HZ LYS 29 14.532 12.018 -0.818 247 H ILE 30 H ILE 30 14.454 14.489 -8.703 248 HA ILE 30 HA ILE 30 16.071 12.225 -9.174 249 HB ILE 30 HB ILE 30 14.074 13.389 -10.561 250 HG12 ILE 30 2HG1 ILE 30 14.940 11.889 -12.515 251 HG13 ILE 30 3HG1 ILE 30 16.209 11.444 -11.379 252 HG21 ILE 30 1HG2 ILE 30 14.854 14.344 -12.607 253 HG22 ILE 30 2HG2 ILE 30 15.615 15.216 -11.278 254 HG23 ILE 30 3HG2 ILE 30 16.533 14.013 -12.183 255 HD11 ILE 30 3HD1 ILE 30 13.394 11.278 -10.462 256 HD12 ILE 30 1HD1 ILE 30 13.984 10.058 -11.590 257 HD13 ILE 30 2HD1 ILE 30 14.788 10.284 -10.037 258 H GLN 31 H GLN 31 16.655 15.666 -9.471 259 HA GLN 31 HA GLN 31 19.026 15.509 -11.004 260 HB2 GLN 31 2HB GLN 31 17.821 17.595 -10.841 261 HB3 GLN 31 3HB GLN 31 18.030 17.628 -9.095 262 HG2 GLN 31 2HG GLN 31 20.611 17.462 -10.034 263 HG3 GLN 31 3HG GLN 31 19.815 18.511 -11.206 264 HE21 GLN 31 1HE2 GLN 31 20.925 20.332 -10.556 265 HE22 GLN 31 2HE2 GLN 31 20.628 21.117 -9.047 266 H ASP 32 H ASP 32 18.389 15.449 -7.539 267 HA ASP 32 HA ASP 32 21.130 15.569 -6.759 268 HB2 ASP 32 2HB ASP 32 18.614 15.612 -5.462 269 HB3 ASP 32 3HB ASP 32 19.516 14.261 -4.780 270 H LYS 33 H LYS 33 19.298 13.164 -8.195 271 HA LYS 33 HA LYS 33 20.935 11.008 -7.048 272 HB2 LYS 33 2HB LYS 33 18.381 10.861 -7.099 273 HB3 LYS 33 3HB LYS 33 18.536 10.658 -8.839 274 HG2 LYS 33 2HG LYS 33 20.320 8.835 -7.634 275 HG3 LYS 33 3HG LYS 33 18.783 8.712 -6.775 276 HD2 LYS 33 2HD LYS 33 17.877 8.775 -9.299 277 HD3 LYS 33 3HD LYS 33 19.458 8.041 -9.576 278 HE2 LYS 33 2HE LYS 33 18.288 6.145 -9.151 279 HE3 LYS 33 3HE LYS 33 18.685 6.575 -7.488 280 HZ1 LYS 33 3HZ LYS 33 16.122 6.852 -8.908 281 HZ2 LYS 33 1HZ LYS 33 16.470 7.862 -7.596 282 HZ3 LYS 33 2HZ LYS 33 16.433 6.184 -7.386 283 H GLU 34 H GLU 34 19.837 12.357 -10.140 284 HA GLU 34 HA GLU 34 22.151 11.058 -11.421 285 HB2 GLU 34 2HB GLU 34 19.529 10.523 -12.000 286 HB3 GLU 34 3HB GLU 34 19.910 11.766 -13.184 287 HG2 GLU 34 2HG GLU 34 20.265 9.499 -14.045 288 HG3 GLU 34 3HG GLU 34 21.743 10.459 -14.036 289 H GLY 35 H GLY 35 20.103 13.897 -11.194 290 HA2 GLY 35 2HA GLY 35 20.839 16.111 -11.444 291 HA3 GLY 35 3HA GLY 35 22.284 15.516 -12.248 292 H ILE 36 H ILE 36 19.253 14.271 -13.302 293 HA ILE 36 HA ILE 36 19.639 15.450 -15.907 294 HB ILE 36 HB ILE 36 17.428 13.658 -14.895 295 HG12 ILE 36 2HG1 ILE 36 19.689 12.884 -16.725 296 HG13 ILE 36 3HG1 ILE 36 19.857 12.796 -14.975 297 HG21 ILE 36 1HG2 ILE 36 17.616 15.197 -17.269 298 HG22 ILE 36 2HG2 ILE 36 17.797 13.498 -17.705 299 HG23 ILE 36 3HG2 ILE 36 16.374 14.033 -16.810 300 HD11 ILE 36 3HD1 ILE 36 18.822 10.846 -14.935 301 HD12 ILE 36 1HD1 ILE 36 17.427 11.520 -15.777 302 HD13 ILE 36 2HD1 ILE 36 18.785 10.873 -16.698 303 HA PRO 37 HA PRO 37 17.078 18.978 -15.041 304 HB2 PRO 37 2HB PRO 37 17.075 19.968 -17.569 305 HB3 PRO 37 3HB PRO 37 18.455 20.128 -16.476 306 HG2 PRO 37 2HG PRO 37 18.010 18.161 -18.688 307 HG3 PRO 37 3HG PRO 37 19.481 19.060 -18.269 308 HD2 PRO 37 2HD PRO 37 19.106 16.471 -17.570 309 HD3 PRO 37 3HD PRO 37 20.036 17.605 -16.569 310 HA PRO 38 HA PRO 38 13.026 17.691 -16.204 311 HB2 PRO 38 2HB PRO 38 11.721 20.064 -16.020 312 HB3 PRO 38 3HB PRO 38 12.257 19.150 -14.605 313 HG2 PRO 38 2HG PRO 38 13.545 21.499 -15.942 314 HG3 PRO 38 3HG PRO 38 13.333 21.174 -14.212 315 HD2 PRO 38 2HD PRO 38 15.674 20.738 -15.500 316 HD3 PRO 38 3HD PRO 38 15.138 19.743 -14.131 317 H ASP 39 H ASP 39 14.470 20.461 -17.840 318 HA ASP 39 HA ASP 39 12.618 20.711 -19.934 319 HB2 ASP 39 2HB ASP 39 15.453 21.533 -19.505 320 HB3 ASP 39 3HB ASP 39 14.816 21.592 -21.146 321 H GLN 40 H GLN 40 15.219 18.469 -19.397 322 HA GLN 40 HA GLN 40 15.098 17.478 -22.136 323 HB2 GLN 40 2HB GLN 40 17.183 17.712 -20.417 324 HB3 GLN 40 3HB GLN 40 16.730 16.035 -20.145 325 HG2 GLN 40 2HG GLN 40 18.047 15.584 -21.879 326 HG3 GLN 40 3HG GLN 40 16.721 16.193 -22.869 327 HE21 GLN 40 1HE2 GLN 40 17.016 17.986 -24.047 328 HE22 GLN 40 2HE2 GLN 40 18.451 18.947 -24.036 329 H GLN 41 H GLN 41 13.789 16.809 -19.046 330 HA GLN 41 HA GLN 41 13.109 14.057 -19.757 331 HB2 GLN 41 2HB GLN 41 13.964 14.772 -17.445 332 HB3 GLN 41 3HB GLN 41 12.365 15.462 -17.201 333 HG2 GLN 41 2HG GLN 41 11.613 13.039 -17.957 334 HG3 GLN 41 3HG GLN 41 13.212 12.627 -17.339 335 HE21 GLN 41 1HE2 GLN 41 12.245 11.413 -15.679 336 HE22 GLN 41 2HE2 GLN 41 11.536 12.178 -14.302 337 H ARG 42 H ARG 42 11.295 13.685 -20.830 338 HA ARG 42 HA ARG 42 9.012 15.500 -20.405 339 HB2 ARG 42 2HB ARG 42 9.924 15.679 -22.671 340 HB3 ARG 42 3HB ARG 42 9.746 13.944 -22.891 341 HG2 ARG 42 2HG ARG 42 7.891 14.745 -23.977 342 HG3 ARG 42 3HG ARG 42 7.240 14.407 -22.372 343 HD2 ARG 42 2HD ARG 42 6.424 16.512 -22.643 344 HD3 ARG 42 3HD ARG 42 7.998 16.918 -21.960 345 HE ARG 42 HE ARG 42 8.406 16.842 -24.664 346 HH11 ARG 42 1HH1 ARG 42 6.276 18.574 -22.524 347 HH12 ARG 42 2HH1 ARG 42 6.177 19.972 -23.542 348 HH21 ARG 42 1HH2 ARG 42 8.283 18.677 -26.014 349 HH22 ARG 42 2HH2 ARG 42 7.318 20.029 -25.527 350 H LEU 43 H LEU 43 7.664 14.494 -19.047 351 HA LEU 43 HA LEU 43 7.254 11.608 -19.289 352 HB2 LEU 43 2HB LEU 43 6.348 13.577 -17.195 353 HB3 LEU 43 3HB LEU 43 6.013 11.848 -17.161 354 HG LEU 43 HG LEU 43 8.857 12.676 -17.319 355 HD11 LEU 43 1HD1 LEU 43 7.053 13.545 -15.206 356 HD12 LEU 43 2HD1 LEU 43 8.707 14.041 -15.561 357 HD13 LEU 43 3HD1 LEU 43 8.408 12.585 -14.611 358 HD21 LEU 43 3HD2 LEU 43 7.281 10.505 -15.955 359 HD22 LEU 43 1HD2 LEU 43 9.005 10.763 -15.683 360 HD23 LEU 43 2HD2 LEU 43 8.419 10.349 -17.294 361 H ILE 44 H ILE 44 5.361 10.694 -19.904 362 HA ILE 44 HA ILE 44 3.031 12.417 -20.331 363 HB ILE 44 HB ILE 44 4.048 12.398 -22.499 364 HG12 ILE 44 2HG1 ILE 44 1.973 10.252 -22.776 365 HG13 ILE 44 3HG1 ILE 44 1.514 11.829 -22.141 366 HG21 ILE 44 1HG2 ILE 44 4.339 9.455 -22.015 367 HG22 ILE 44 2HG2 ILE 44 4.357 10.120 -23.647 368 HG23 ILE 44 3HG2 ILE 44 5.569 10.632 -22.474 369 HD11 ILE 44 3HD1 ILE 44 2.505 11.103 -24.861 370 HD12 ILE 44 1HD1 ILE 44 1.072 12.020 -24.397 371 HD13 ILE 44 2HD1 ILE 44 2.671 12.751 -24.255 372 H PHE 45 H PHE 45 1.071 11.412 -20.087 373 HA PHE 45 HA PHE 45 0.755 8.581 -20.053 374 HB2 PHE 45 2HB PHE 45 1.861 8.743 -17.906 375 HB3 PHE 45 3HB PHE 45 0.776 10.034 -17.402 376 HD1 PHE 45 HD2 PHE 45 0.648 6.506 -18.603 377 HD2 PHE 45 HD1 PHE 45 -1.011 9.495 -16.067 378 HE1 PHE 45 HE2 PHE 45 -0.883 4.837 -17.643 379 HE2 PHE 45 HE1 PHE 45 -2.545 7.830 -15.103 380 HZ PHE 45 HZ PHE 45 -2.483 5.498 -15.892 381 H ALA 46 H ALA 46 -1.391 7.968 -20.065 382 HA ALA 46 HA ALA 46 -3.646 8.171 -20.312 383 HB1 ALA 46 1HB ALA 46 -3.193 9.387 -18.004 384 HB2 ALA 46 2HB ALA 46 -3.739 10.792 -18.921 385 HB3 ALA 46 3HB ALA 46 -4.788 9.384 -18.758 386 H GLY 47 H GLY 47 -1.550 9.747 -21.980 387 HA2 GLY 47 2HA GLY 47 -1.778 10.787 -24.043 388 HA3 GLY 47 3HA GLY 47 -3.506 10.919 -23.751 389 H LYS 48 H LYS 48 -2.119 12.096 -21.043 390 HA LYS 48 HA LYS 48 -2.226 14.854 -22.065 391 HB2 LYS 48 2HB LYS 48 -2.470 14.111 -19.164 392 HB3 LYS 48 3HB LYS 48 -3.033 15.564 -19.980 393 HG2 LYS 48 2HG LYS 48 -4.199 12.798 -20.210 394 HG3 LYS 48 3HG LYS 48 -4.915 14.192 -19.398 395 HD2 LYS 48 2HD LYS 48 -4.821 15.356 -21.661 396 HD3 LYS 48 3HD LYS 48 -4.482 13.763 -22.344 397 HE2 LYS 48 2HE LYS 48 -6.582 12.967 -21.876 398 HE3 LYS 48 3HE LYS 48 -6.812 14.063 -20.515 399 HZ1 LYS 48 3HZ LYS 48 -7.113 15.883 -22.056 400 HZ2 LYS 48 1HZ LYS 48 -8.212 14.646 -22.408 401 HZ3 LYS 48 2HZ LYS 48 -6.841 14.860 -23.376 402 H GLN 49 H GLN 49 -0.502 16.160 -21.871 403 HA GLN 49 HA GLN 49 2.006 15.038 -21.069 404 HB2 GLN 49 2HB GLN 49 2.905 17.290 -21.640 405 HB3 GLN 49 3HB GLN 49 1.970 16.554 -22.935 406 HG2 GLN 49 2HG GLN 49 0.625 18.303 -23.013 407 HG3 GLN 49 3HG GLN 49 0.233 18.122 -21.304 408 HE21 GLN 49 1HE2 GLN 49 1.355 20.228 -23.505 409 HE22 GLN 49 2HE2 GLN 49 2.309 21.253 -22.493 410 H LEU 50 H LEU 50 2.811 14.994 -19.086 411 HA LEU 50 HA LEU 50 1.558 16.089 -16.846 412 HB2 LEU 50 2HB LEU 50 3.734 14.416 -17.355 413 HB3 LEU 50 3HB LEU 50 4.397 15.766 -16.436 414 HG LEU 50 HG LEU 50 2.195 15.139 -14.961 415 HD11 LEU 50 1HD1 LEU 50 1.435 13.169 -15.741 416 HD12 LEU 50 2HD1 LEU 50 2.769 12.512 -14.793 417 HD13 LEU 50 3HD1 LEU 50 2.962 12.767 -16.527 418 HD21 LEU 50 3HD2 LEU 50 4.859 13.791 -14.594 419 HD22 LEU 50 1HD2 LEU 50 3.717 14.310 -13.355 420 HD23 LEU 50 2HD2 LEU 50 4.606 15.511 -14.292 421 H GLU 51 H GLU 51 1.303 18.171 -16.399 422 HA GLU 51 HA GLU 51 3.190 20.145 -17.372 423 HB2 GLU 51 2HB GLU 51 0.433 20.127 -16.718 424 HB3 GLU 51 3HB GLU 51 1.211 21.270 -15.632 425 HG2 GLU 51 2HG GLU 51 0.778 22.671 -17.349 426 HG3 GLU 51 3HG GLU 51 2.342 22.068 -17.891 427 H ASP 52 H ASP 52 4.533 21.398 -16.145 428 HA ASP 52 HA ASP 52 5.562 20.337 -13.765 429 HB2 ASP 52 2HB ASP 52 6.917 22.337 -13.634 430 HB3 ASP 52 3HB ASP 52 6.811 21.828 -15.317 431 H GLY 53 H GLY 53 3.046 22.689 -14.356 432 HA2 GLY 53 2HA GLY 53 2.916 23.480 -11.562 433 HA3 GLY 53 3HA GLY 53 1.891 24.067 -12.863 434 H ARG 54 H ARG 54 2.075 20.725 -12.955 435 HA ARG 54 HA ARG 54 -0.550 20.520 -11.654 436 HB2 ARG 54 2HB ARG 54 0.800 18.805 -13.740 437 HB3 ARG 54 3HB ARG 54 -0.699 18.350 -12.941 438 HG2 ARG 54 2HG ARG 54 -0.391 20.933 -14.440 439 HG3 ARG 54 3HG ARG 54 -0.902 19.433 -15.216 440 HD2 ARG 54 2HD ARG 54 -2.891 19.343 -14.013 441 HD3 ARG 54 3HD ARG 54 -2.295 20.434 -12.763 442 HE ARG 54 HE ARG 54 -2.389 21.809 -15.208 443 HH11 ARG 54 1HH1 ARG 54 -4.520 20.435 -12.823 444 HH12 ARG 54 2HH1 ARG 54 -5.808 21.549 -13.142 445 HH21 ARG 54 1HH2 ARG 54 -4.077 23.281 -15.638 446 HH22 ARG 54 2HH2 ARG 54 -5.555 23.167 -14.744 447 H THR 55 H THR 55 -1.019 18.729 -10.292 448 HA THR 55 HA THR 55 1.368 17.664 -8.941 449 HB THR 55 HB THR 55 0.034 17.401 -6.950 450 HG1 THR 55 HG1 THR 55 -2.058 17.206 -7.126 451 HG21 THR 55 3HG2 THR 55 0.634 19.867 -8.123 452 HG22 THR 55 1HG2 THR 55 0.327 19.548 -6.417 453 HG23 THR 55 2HG2 THR 55 -0.995 20.045 -7.473 454 H LEU 56 H LEU 56 1.238 15.478 -8.079 455 HA LEU 56 HA LEU 56 0.467 13.594 -9.999 456 HB2 LEU 56 2HB LEU 56 1.120 13.292 -7.077 457 HB3 LEU 56 3HB LEU 56 0.847 11.925 -8.155 458 HG LEU 56 HG LEU 56 3.030 13.976 -8.513 459 HD11 LEU 56 1HD1 LEU 56 4.389 11.803 -7.905 460 HD12 LEU 56 2HD1 LEU 56 2.916 11.408 -7.020 461 HD13 LEU 56 3HD1 LEU 56 3.792 12.893 -6.653 462 HD21 LEU 56 3HD2 LEU 56 2.201 11.507 -9.981 463 HD22 LEU 56 1HD2 LEU 56 3.896 11.994 -9.954 464 HD23 LEU 56 2HD2 LEU 56 2.676 13.084 -10.614 465 H SER 57 H SER 57 -1.043 14.425 -6.887 466 HA SER 57 HA SER 57 -3.163 12.613 -7.009 467 HB2 SER 57 2HB SER 57 -3.192 13.516 -4.932 468 HB3 SER 57 3HB SER 57 -2.530 15.053 -5.487 469 HG SER 57 HG SER 57 -4.643 15.359 -4.784 470 H ASP 58 H ASP 58 -2.790 15.815 -8.406 471 HA ASP 58 HA ASP 58 -5.470 16.213 -9.182 472 HB2 ASP 58 2HB ASP 58 -2.837 17.354 -10.030 473 HB3 ASP 58 3HB ASP 58 -4.269 17.698 -10.996 474 H TYR 59 H TYR 59 -2.902 14.316 -10.530 475 HA TYR 59 HA TYR 59 -4.179 14.005 -13.105 476 HB2 TYR 59 2HB TYR 59 -1.597 13.377 -11.933 477 HB3 TYR 59 3HB TYR 59 -2.230 12.026 -12.866 478 HD1 TYR 59 HD2 TYR 59 -1.778 15.725 -13.149 479 HD2 TYR 59 HD1 TYR 59 -1.780 11.960 -15.131 480 HE1 TYR 59 HE2 TYR 59 -1.045 16.824 -15.224 481 HE2 TYR 59 HE1 TYR 59 -1.046 13.048 -17.211 482 HH TYR 59 HH TYR 59 -1.086 15.259 -18.246 483 H ASN 60 H ASN 60 -4.649 12.713 -10.071 484 HA ASN 60 HA ASN 60 -5.847 10.957 -9.264 485 HB2 ASN 60 2HB ASN 60 -7.259 11.844 -11.384 486 HB3 ASN 60 3HB ASN 60 -6.934 10.197 -11.915 487 HD21 ASN 60 1HD2 ASN 60 -7.932 11.910 -8.971 488 HD22 ASN 60 2HD2 ASN 60 -9.167 10.784 -8.532 489 H ILE 61 H ILE 61 -3.167 10.497 -10.194 490 HA ILE 61 HA ILE 61 -3.098 7.973 -11.564 491 HB ILE 61 HB ILE 61 -1.265 9.696 -11.668 492 HG12 ILE 61 2HG1 ILE 61 0.389 7.545 -10.868 493 HG13 ILE 61 3HG1 ILE 61 -1.098 6.833 -11.484 494 HG21 ILE 61 1HG2 ILE 61 -0.174 8.601 -9.129 495 HG22 ILE 61 2HG2 ILE 61 0.116 10.156 -9.906 496 HG23 ILE 61 3HG2 ILE 61 -1.394 9.871 -9.041 497 HD11 ILE 61 3HD1 ILE 61 -0.650 8.599 -13.425 498 HD12 ILE 61 1HD1 ILE 61 1.011 8.345 -12.890 499 HD13 ILE 61 2HD1 ILE 61 0.037 6.975 -13.428 500 H GLN 62 H GLN 62 -3.712 6.153 -10.609 501 HA GLN 62 HA GLN 62 -3.767 5.846 -7.763 502 HB2 GLN 62 2HB GLN 62 -5.039 4.633 -9.922 503 HB3 GLN 62 3HB GLN 62 -4.015 3.367 -9.258 504 HG2 GLN 62 2HG GLN 62 -5.152 3.286 -7.280 505 HG3 GLN 62 3HG GLN 62 -5.680 4.964 -7.387 506 HE21 GLN 62 1HE2 GLN 62 -7.515 5.472 -8.554 507 HE22 GLN 62 2HE2 GLN 62 -8.642 4.274 -9.084 508 H LYS 63 H LYS 63 -2.915 3.542 -6.978 509 HA LYS 63 HA LYS 63 -0.060 3.732 -7.106 510 HB2 LYS 63 2HB LYS 63 -1.621 1.475 -5.864 511 HB3 LYS 63 3HB LYS 63 -0.021 2.059 -5.426 512 HG2 LYS 63 2HG LYS 63 -1.072 4.186 -4.679 513 HG3 LYS 63 3HG LYS 63 -2.650 3.453 -4.977 514 HD2 LYS 63 2HD LYS 63 -0.893 1.782 -3.356 515 HD3 LYS 63 3HD LYS 63 -1.241 3.346 -2.615 516 HE2 LYS 63 2HE LYS 63 -3.697 2.821 -3.233 517 HE3 LYS 63 3HE LYS 63 -3.133 1.159 -3.400 518 HZ1 LYS 63 3HZ LYS 63 -3.224 2.841 -0.979 519 HZ2 LYS 63 1HZ LYS 63 -2.164 1.526 -1.071 520 HZ3 LYS 63 2HZ LYS 63 -3.831 1.279 -1.212 521 H GLU 64 H GLU 64 1.403 2.325 -8.019 522 HA GLU 64 HA GLU 64 2.210 0.619 -9.321 523 HB2 GLU 64 2HB GLU 64 0.139 -0.624 -8.263 524 HB3 GLU 64 3HB GLU 64 -0.529 -0.438 -9.879 525 HG2 GLU 64 2HG GLU 64 1.817 -1.439 -10.571 526 HG3 GLU 64 3HG GLU 64 1.738 -2.100 -8.939 527 H SER 65 H SER 65 1.184 3.226 -10.237 528 HA SER 65 HA SER 65 0.111 2.748 -12.879 529 HB2 SER 65 2HB SER 65 -0.211 5.044 -13.023 530 HB3 SER 65 3HB SER 65 -0.307 4.789 -11.280 531 HG SER 65 HG SER 65 1.741 5.945 -12.807 532 H THR 66 H THR 66 1.152 3.188 -14.835 533 HA THR 66 HA THR 66 4.096 3.218 -14.670 534 HB THR 66 HB THR 66 4.269 1.765 -16.450 535 HG1 THR 66 HG1 THR 66 1.599 2.433 -17.202 536 HG21 THR 66 3HG2 THR 66 1.588 0.975 -15.307 537 HG22 THR 66 1HG2 THR 66 3.144 0.639 -14.550 538 HG23 THR 66 2HG2 THR 66 2.747 -0.087 -16.107 539 H LEU 67 H LEU 67 5.109 4.906 -15.533 540 HA LEU 67 HA LEU 67 3.607 6.637 -17.383 541 HB2 LEU 67 2HB LEU 67 5.272 7.181 -15.056 542 HB3 LEU 67 3HB LEU 67 5.737 8.127 -16.468 543 HG LEU 67 HG LEU 67 2.885 8.223 -16.102 544 HD11 LEU 67 1HD1 LEU 67 2.819 8.117 -13.857 545 HD12 LEU 67 2HD1 LEU 67 3.406 9.776 -13.956 546 HD13 LEU 67 3HD1 LEU 67 4.541 8.455 -13.682 547 HD21 LEU 67 3HD2 LEU 67 3.208 10.348 -16.749 548 HD22 LEU 67 1HD2 LEU 67 4.844 9.803 -17.119 549 HD23 LEU 67 2HD2 LEU 67 4.510 10.612 -15.587 550 H HIS 68 H HIS 68 4.630 7.452 -19.214 551 HA HIS 68 HA HIS 68 6.816 5.809 -20.194 552 HB2 HIS 68 2HB HIS 68 4.591 7.079 -21.374 553 HB3 HIS 68 3HB HIS 68 6.016 7.874 -22.035 554 HD1 HIS 68 HD1 HIS 68 6.670 6.835 -24.167 555 HD2 HIS 68 HD2 HIS 68 5.155 4.033 -21.500 556 HE1 HIS 68 HE1 HIS 68 6.795 4.628 -25.367 557 H LEU 69 H LEU 69 8.829 6.542 -20.787 558 HA LEU 69 HA LEU 69 9.474 9.328 -20.082 559 HB2 LEU 69 2HB LEU 69 10.434 6.938 -18.890 560 HB3 LEU 69 3HB LEU 69 11.768 7.673 -19.776 561 HG LEU 69 HG LEU 69 10.599 9.765 -18.336 562 HD11 LEU 69 1HD1 LEU 69 9.454 8.647 -16.733 563 HD12 LEU 69 2HD1 LEU 69 11.056 8.568 -16.000 564 HD13 LEU 69 3HD1 LEU 69 10.428 7.185 -16.897 565 HD21 LEU 69 3HD2 LEU 69 12.802 9.046 -16.890 566 HD22 LEU 69 1HD2 LEU 69 12.823 10.017 -18.362 567 HD23 LEU 69 2HD2 LEU 69 13.116 8.279 -18.448 568 H VAL 70 H VAL 70 9.751 10.266 -22.017 569 HA VAL 70 HA VAL 70 11.271 8.851 -24.088 570 HB VAL 70 HB VAL 70 10.520 10.751 -25.563 571 HG11 VAL 70 1HG1 VAL 70 9.385 8.473 -25.269 572 HG12 VAL 70 2HG1 VAL 70 8.167 9.348 -24.339 573 HG13 VAL 70 3HG1 VAL 70 8.454 9.763 -26.029 574 HG21 VAL 70 3HG2 VAL 70 9.337 12.485 -24.789 575 HG22 VAL 70 1HG2 VAL 70 8.302 11.450 -23.805 576 HG23 VAL 70 2HG2 VAL 70 9.870 11.971 -23.188 577 H LEU 71 H LEU 71 12.955 9.954 -25.246 578 HA LEU 71 HA LEU 71 14.315 11.997 -23.614 579 HB2 LEU 71 2HB LEU 71 15.461 9.819 -23.670 580 HB3 LEU 71 3HB LEU 71 15.547 9.926 -25.428 581 HG LEU 71 HG LEU 71 16.879 12.102 -24.995 582 HD11 LEU 71 1HD1 LEU 71 16.267 11.960 -22.502 583 HD12 LEU 71 2HD1 LEU 71 17.922 12.385 -22.937 584 HD13 LEU 71 3HD1 LEU 71 17.543 10.746 -22.409 585 HD21 LEU 71 3HD2 LEU 71 17.623 9.324 -25.126 586 HD22 LEU 71 1HD2 LEU 71 18.804 10.244 -24.193 587 HD23 LEU 71 2HD2 LEU 71 18.409 10.732 -25.841 588 H ARG 72 H ARG 72 15.161 13.785 -24.610 589 HA ARG 72 HA ARG 72 14.252 14.247 -27.354 590 HB2 ARG 72 2HB ARG 72 13.748 15.829 -25.387 591 HB3 ARG 72 3HB ARG 72 15.431 16.320 -25.520 592 HG2 ARG 72 2HG ARG 72 14.652 17.862 -26.934 593 HG3 ARG 72 3HG ARG 72 14.598 16.538 -28.100 594 HD2 ARG 72 2HD ARG 72 12.245 16.654 -26.383 595 HD3 ARG 72 3HD ARG 72 12.475 18.117 -27.340 596 HE ARG 72 HE ARG 72 11.730 15.514 -28.303 597 HH11 ARG 72 1HH1 ARG 72 13.210 18.555 -29.132 598 HH12 ARG 72 2HH1 ARG 72 12.873 18.405 -30.825 599 HH21 ARG 72 1HH2 ARG 72 11.281 15.306 -30.529 600 HH22 ARG 72 2HH2 ARG 72 11.776 16.557 -31.619 601 H LEU 73 H LEU 73 15.639 14.045 -28.972 602 HA LEU 73 HA LEU 73 18.471 13.827 -28.479 603 HB2 LEU 73 2HB LEU 73 16.729 12.812 -30.365 604 HB3 LEU 73 3HB LEU 73 17.661 14.006 -31.267 605 HG LEU 73 HG LEU 73 19.737 12.862 -30.577 606 HD11 LEU 73 1HD1 LEU 73 17.828 11.335 -28.955 607 HD12 LEU 73 2HD1 LEU 73 19.546 11.643 -28.703 608 HD13 LEU 73 3HD1 LEU 73 19.031 10.363 -29.802 609 HD21 LEU 73 3HD2 LEU 73 17.628 11.668 -32.244 610 HD22 LEU 73 1HD2 LEU 73 18.938 10.581 -31.785 611 HD23 LEU 73 2HD2 LEU 73 19.297 12.080 -32.641 612 H ARG 74 H ARG 74 20.088 15.182 -29.253 613 HA ARG 74 HA ARG 74 19.178 17.867 -30.058 614 HB2 ARG 74 2HB ARG 74 20.363 17.488 -27.776 615 HB3 ARG 74 3HB ARG 74 21.824 17.339 -28.743 616 HG2 ARG 74 2HG ARG 74 21.285 19.588 -29.721 617 HG3 ARG 74 3HG ARG 74 20.013 19.724 -28.506 618 HD2 ARG 74 2HD ARG 74 21.724 20.764 -27.404 619 HD3 ARG 74 3HD ARG 74 21.981 19.104 -26.869 620 HE ARG 74 HE ARG 74 23.473 19.429 -29.175 621 HH11 ARG 74 1HH1 ARG 74 23.350 20.808 -25.981 622 HH12 ARG 74 2HH1 ARG 74 25.043 21.174 -25.932 623 HH21 ARG 74 1HH2 ARG 74 25.703 19.905 -29.122 624 HH22 ARG 74 2HH2 ARG 74 26.380 20.661 -27.720 625 H GLY 75 H GLY 75 19.543 18.215 -32.147 626 HA2 GLY 75 2HA GLY 75 21.304 18.740 -33.772 627 HA3 GLY 75 3HA GLY 75 22.095 17.250 -33.282 628 H GLY 76 H GLY 76 20.233 18.648 -35.628 629 HA2 GLY 76 2HA GLY 76 19.817 16.144 -36.960 630 HA3 GLY 76 3HA GLY 76 18.311 16.846 -36.388 Start of MODEL 12 1 H1 GLY 0 H GLY 0 0.679 1.356 2.192 2 HA2 GLY 0 2HA GLY 0 2.291 1.495 0.489 3 HA3 GLY 0 3HA GLY 0 0.865 0.993 -0.406 4 H MET 1 H MET 1 3.118 2.538 -1.365 5 HA MET 1 HA MET 1 1.653 4.618 -2.676 6 HB2 MET 1 2HB MET 1 3.134 6.474 -1.950 7 HB3 MET 1 3HB MET 1 2.139 5.835 -0.648 8 HG2 MET 1 2HG MET 1 4.019 4.593 0.226 9 HG3 MET 1 3HG MET 1 5.024 5.123 -1.121 10 HE1 MET 1 3HE MET 1 6.908 7.213 1.239 11 HE2 MET 1 1HE MET 1 6.127 5.873 2.079 12 HE3 MET 1 2HE MET 1 6.732 5.651 0.437 13 H GLN 2 H GLN 2 3.318 2.227 -3.229 14 HA GLN 2 HA GLN 2 5.653 3.318 -4.576 15 HB2 GLN 2 2HB GLN 2 6.327 1.071 -4.945 16 HB3 GLN 2 3HB GLN 2 5.682 1.131 -3.310 17 HG2 GLN 2 2HG GLN 2 4.475 -0.641 -3.881 18 HG3 GLN 2 3HG GLN 2 3.479 0.479 -4.809 19 HE21 GLN 2 1HE2 GLN 2 3.780 -2.237 -5.419 20 HE22 GLN 2 2HE2 GLN 2 4.582 -2.368 -6.943 21 H ILE 3 H ILE 3 5.978 3.315 -6.788 22 HA ILE 3 HA ILE 3 3.732 2.519 -8.494 23 HB ILE 3 HB ILE 3 3.853 4.588 -9.779 24 HG12 ILE 3 2HG1 ILE 3 6.316 4.960 -8.924 25 HG13 ILE 3 3HG1 ILE 3 5.303 6.335 -9.352 26 HG21 ILE 3 1HG2 ILE 3 2.951 6.142 -8.007 27 HG22 ILE 3 2HG2 ILE 3 2.176 4.562 -8.111 28 HG23 ILE 3 3HG2 ILE 3 3.344 4.889 -6.830 29 HD11 ILE 3 3HD1 ILE 3 5.061 7.005 -7.183 30 HD12 ILE 3 1HD1 ILE 3 5.302 5.381 -6.537 31 HD13 ILE 3 2HD1 ILE 3 6.680 6.308 -7.131 32 H PHE 4 H PHE 4 4.305 2.314 -10.762 33 HA PHE 4 HA PHE 4 7.193 1.948 -11.203 34 HB2 PHE 4 2HB PHE 4 6.945 -0.197 -11.858 35 HB3 PHE 4 3HB PHE 4 5.420 -0.123 -10.981 36 HD1 PHE 4 HD1 PHE 4 6.982 0.045 -14.305 37 HD2 PHE 4 HD2 PHE 4 3.333 -0.150 -12.122 38 HE1 PHE 4 HE1 PHE 4 5.768 -0.459 -16.385 39 HE2 PHE 4 HE2 PHE 4 2.114 -0.655 -14.198 40 HZ PHE 4 HZ PHE 4 3.331 -0.811 -16.333 41 H VAL 5 H VAL 5 7.994 2.766 -13.051 42 HA VAL 5 HA VAL 5 6.088 4.043 -14.888 43 HB VAL 5 HB VAL 5 7.634 5.619 -13.930 44 HG11 VAL 5 1HG1 VAL 5 9.506 3.457 -14.248 45 HG12 VAL 5 2HG1 VAL 5 10.141 4.940 -14.964 46 HG13 VAL 5 3HG1 VAL 5 9.639 4.920 -13.273 47 HG21 VAL 5 3HG2 VAL 5 7.940 6.714 -15.860 48 HG22 VAL 5 1HG2 VAL 5 8.963 5.440 -16.525 49 HG23 VAL 5 2HG2 VAL 5 7.207 5.300 -16.617 50 H LYS 6 H LYS 6 5.990 3.494 -16.990 51 HA LYS 6 HA LYS 6 7.742 1.316 -17.888 52 HB2 LYS 6 2HB LYS 6 4.978 1.625 -18.005 53 HB3 LYS 6 3HB LYS 6 5.515 1.951 -19.648 54 HG2 LYS 6 2HG LYS 6 6.598 -0.448 -18.272 55 HG3 LYS 6 3HG LYS 6 4.925 -0.485 -18.836 56 HD2 LYS 6 2HD LYS 6 5.566 -0.736 -20.957 57 HD3 LYS 6 3HD LYS 6 6.695 0.616 -20.843 58 HE2 LYS 6 2HE LYS 6 8.232 -1.004 -21.170 59 HE3 LYS 6 3HE LYS 6 8.043 -1.235 -19.432 60 HZ1 LYS 6 3HZ LYS 6 6.134 -2.823 -20.248 61 HZ2 LYS 6 1HZ LYS 6 7.738 -3.354 -20.151 62 HZ3 LYS 6 2HZ LYS 6 7.088 -2.895 -21.643 63 H THR 7 H THR 7 8.915 1.448 -19.765 64 HA THR 7 HA THR 7 9.170 4.143 -20.908 65 HB THR 7 HB THR 7 11.379 3.475 -21.685 66 HG1 THR 7 HG1 THR 7 10.567 0.950 -20.697 67 HG21 THR 7 3HG2 THR 7 12.358 3.841 -19.688 68 HG22 THR 7 1HG2 THR 7 11.565 2.460 -18.932 69 HG23 THR 7 2HG2 THR 7 10.701 3.988 -19.102 70 H LEU 8 H LEU 8 10.058 4.003 -23.282 71 HA LEU 8 HA LEU 8 8.044 2.535 -24.787 72 HB2 LEU 8 2HB LEU 8 9.777 4.883 -25.271 73 HB3 LEU 8 3HB LEU 8 9.360 3.904 -26.676 74 HG LEU 8 HG LEU 8 7.367 5.196 -24.815 75 HD11 LEU 8 1HD1 LEU 8 7.341 7.023 -26.109 76 HD12 LEU 8 2HD1 LEU 8 7.543 6.096 -27.595 77 HD13 LEU 8 3HD1 LEU 8 8.949 6.497 -26.608 78 HD21 LEU 8 3HD2 LEU 8 5.770 4.067 -25.877 79 HD22 LEU 8 1HD2 LEU 8 7.050 3.046 -26.534 80 HD23 LEU 8 2HD2 LEU 8 6.464 4.429 -27.458 81 H THR 9 H THR 9 10.813 1.605 -23.587 82 HA THR 9 HA THR 9 11.746 0.248 -26.031 83 HB THR 9 HB THR 9 13.420 0.328 -23.557 84 HG1 THR 9 HG1 THR 9 12.585 2.527 -24.921 85 HG21 THR 9 3HG2 THR 9 13.778 -0.748 -26.030 86 HG22 THR 9 1HG2 THR 9 15.088 -0.284 -24.945 87 HG23 THR 9 2HG2 THR 9 14.566 0.818 -26.219 88 H GLY 10 H GLY 10 9.765 -0.312 -23.563 89 HA2 GLY 10 2HA GLY 10 8.830 -2.355 -22.939 90 HA3 GLY 10 3HA GLY 10 10.185 -3.179 -23.696 91 H LYS 11 H LYS 11 11.342 -0.750 -21.730 92 HA LYS 11 HA LYS 11 12.116 -2.696 -19.702 93 HB2 LYS 11 2HB LYS 11 13.093 0.026 -20.494 94 HB3 LYS 11 3HB LYS 11 13.501 -0.625 -18.912 95 HG2 LYS 11 2HG LYS 11 14.015 -2.618 -20.882 96 HG3 LYS 11 3HG LYS 11 14.770 -1.104 -21.383 97 HD2 LYS 11 2HD LYS 11 15.081 -1.920 -18.546 98 HD3 LYS 11 3HD LYS 11 15.981 -2.831 -19.761 99 HE2 LYS 11 2HE LYS 11 16.537 -0.357 -20.595 100 HE3 LYS 11 3HE LYS 11 16.269 -0.014 -18.887 101 HZ1 LYS 11 3HZ LYS 11 18.620 -0.636 -19.683 102 HZ2 LYS 11 1HZ LYS 11 18.040 -2.225 -19.692 103 HZ3 LYS 11 2HZ LYS 11 18.036 -1.332 -18.256 104 H THR 12 H THR 12 11.162 -2.826 -17.786 105 HA THR 12 HA THR 12 9.313 -0.695 -16.987 106 HB THR 12 HB THR 12 9.579 -3.536 -15.987 107 HG1 THR 12 HG1 THR 12 7.356 -3.520 -16.965 108 HG21 THR 12 3HG2 THR 12 8.398 -1.252 -14.744 109 HG22 THR 12 1HG2 THR 12 8.424 -2.924 -14.184 110 HG23 THR 12 2HG2 THR 12 7.117 -2.364 -15.228 111 H ILE 13 H ILE 13 9.871 0.693 -15.453 112 HA ILE 13 HA ILE 13 11.986 -0.088 -13.553 113 HB ILE 13 HB ILE 13 11.349 2.728 -14.426 114 HG12 ILE 13 2HG1 ILE 13 12.202 1.449 -16.331 115 HG13 ILE 13 3HG1 ILE 13 13.406 2.606 -15.774 116 HG21 ILE 13 1HG2 ILE 13 12.507 3.169 -12.561 117 HG22 ILE 13 2HG2 ILE 13 13.123 1.522 -12.442 118 HG23 ILE 13 3HG2 ILE 13 13.918 2.685 -13.502 119 HD11 ILE 13 3HD1 ILE 13 13.373 -0.343 -15.180 120 HD12 ILE 13 1HD1 ILE 13 14.429 0.483 -16.326 121 HD13 ILE 13 2HD1 ILE 13 14.574 0.810 -14.599 122 H THR 14 H THR 14 11.787 0.579 -11.394 123 HA THR 14 HA THR 14 9.075 1.434 -10.616 124 HB THR 14 HB THR 14 9.480 0.173 -8.473 125 HG1 THR 14 HG1 THR 14 11.881 0.025 -9.157 126 HG21 THR 14 3HG2 THR 14 9.367 -1.308 -11.095 127 HG22 THR 14 1HG2 THR 14 8.019 -0.815 -10.071 128 HG23 THR 14 2HG2 THR 14 9.115 -2.089 -9.535 129 H LEU 15 H LEU 15 8.875 3.054 -9.148 130 HA LEU 15 HA LEU 15 11.243 4.006 -7.732 131 HB2 LEU 15 2HB LEU 15 9.889 5.391 -9.938 132 HB3 LEU 15 3HB LEU 15 10.153 6.376 -8.500 133 HG LEU 15 HG LEU 15 12.474 4.856 -9.551 134 HD11 LEU 15 1HD1 LEU 15 11.144 5.975 -11.488 135 HD12 LEU 15 2HD1 LEU 15 12.889 6.197 -11.376 136 HD13 LEU 15 3HD1 LEU 15 11.801 7.471 -10.825 137 HD21 LEU 15 3HD2 LEU 15 13.657 6.370 -8.387 138 HD22 LEU 15 1HD2 LEU 15 12.124 6.668 -7.568 139 HD23 LEU 15 2HD2 LEU 15 12.633 7.715 -8.893 140 H GLU 16 H GLU 16 10.570 5.935 -6.272 141 HA GLU 16 HA GLU 16 7.847 5.515 -5.246 142 HB2 GLU 16 2HB GLU 16 10.442 5.286 -3.788 143 HB3 GLU 16 3HB GLU 16 9.056 5.947 -2.932 144 HG2 GLU 16 2HG GLU 16 7.794 3.877 -3.638 145 HG3 GLU 16 3HG GLU 16 9.347 3.222 -4.155 146 H VAL 17 H VAL 17 6.803 7.313 -4.514 147 HA VAL 17 HA VAL 17 8.254 9.798 -4.122 148 HB VAL 17 HB VAL 17 6.826 11.062 -5.698 149 HG11 VAL 17 1HG1 VAL 17 8.006 10.427 -7.721 150 HG12 VAL 17 2HG1 VAL 17 9.090 10.338 -6.331 151 HG13 VAL 17 3HG1 VAL 17 8.412 8.861 -7.018 152 HG21 VAL 17 3HG2 VAL 17 5.038 10.140 -6.640 153 HG22 VAL 17 1HG2 VAL 17 6.053 8.934 -7.432 154 HG23 VAL 17 2HG2 VAL 17 5.404 8.621 -5.822 155 H GLU 18 H GLU 18 6.419 11.620 -3.835 156 HA GLU 18 HA GLU 18 4.334 10.462 -2.105 157 HB2 GLU 18 2HB GLU 18 6.423 12.417 -1.483 158 HB3 GLU 18 3HB GLU 18 4.810 12.957 -1.038 159 HG2 GLU 18 2HG GLU 18 4.883 10.359 -0.128 160 HG3 GLU 18 3HG GLU 18 6.512 10.954 0.190 161 HA PRO 19 HA PRO 19 1.346 12.945 -4.139 162 HB2 PRO 19 2HB PRO 19 -0.213 13.834 -2.102 163 HB3 PRO 19 3HB PRO 19 -0.213 12.153 -2.649 164 HG2 PRO 19 2HG PRO 19 1.200 13.386 -0.315 165 HG3 PRO 19 3HG PRO 19 0.319 11.850 -0.405 166 HD2 PRO 19 2HD PRO 19 3.020 11.989 -0.523 167 HD3 PRO 19 3HD PRO 19 2.090 10.747 -1.385 168 H SER 20 H SER 20 3.041 14.466 -1.460 169 HA SER 20 HA SER 20 2.267 17.135 -2.245 170 HB2 SER 20 2HB SER 20 4.406 17.375 -0.484 171 HB3 SER 20 3HB SER 20 2.696 17.407 -0.054 172 HG SER 20 HG SER 20 2.862 15.468 0.766 173 H ASP 21 H ASP 21 4.347 14.960 -3.524 174 HA ASP 21 HA ASP 21 6.603 16.668 -4.038 175 HB2 ASP 21 2HB ASP 21 5.802 14.013 -5.246 176 HB3 ASP 21 3HB ASP 21 7.333 14.830 -5.544 177 H THR 22 H THR 22 7.076 17.813 -5.859 178 HA THR 22 HA THR 22 4.867 18.166 -7.764 179 HB THR 22 HB THR 22 6.956 20.111 -8.104 180 HG1 THR 22 HG1 THR 22 6.563 21.086 -5.950 181 HG21 THR 22 3HG2 THR 22 4.563 20.327 -8.737 182 HG22 THR 22 1HG2 THR 22 5.150 21.676 -7.766 183 HG23 THR 22 2HG2 THR 22 4.154 20.423 -7.024 184 H ILE 23 H ILE 23 5.257 18.226 -10.001 185 HA ILE 23 HA ILE 23 7.104 16.337 -10.965 186 HB ILE 23 HB ILE 23 5.687 18.485 -12.546 187 HG12 ILE 23 2HG1 ILE 23 4.088 17.159 -11.272 188 HG13 ILE 23 3HG1 ILE 23 3.990 16.737 -12.978 189 HG21 ILE 23 1HG2 ILE 23 7.069 17.692 -14.139 190 HG22 ILE 23 2HG2 ILE 23 7.386 16.193 -13.267 191 HG23 ILE 23 3HG2 ILE 23 5.903 16.370 -14.205 192 HD11 ILE 23 3HD1 ILE 23 5.476 14.780 -12.466 193 HD12 ILE 23 1HD1 ILE 23 5.252 15.159 -10.759 194 HD13 ILE 23 2HD1 ILE 23 3.863 14.723 -11.755 195 H GLU 24 H GLU 24 7.211 19.848 -10.751 196 HA GLU 24 HA GLU 24 9.609 20.114 -12.293 197 HB2 GLU 24 2HB GLU 24 8.088 21.979 -12.183 198 HB3 GLU 24 3HB GLU 24 8.182 22.013 -10.428 199 HG2 GLU 24 2HG GLU 24 10.749 22.302 -11.826 200 HG3 GLU 24 3HG GLU 24 9.601 23.619 -12.064 201 H ASN 25 H ASN 25 8.849 19.558 -8.949 202 HA ASN 25 HA ASN 25 11.517 20.196 -8.024 203 HB2 ASN 25 2HB ASN 25 8.934 19.762 -6.819 204 HB3 ASN 25 3HB ASN 25 10.146 18.761 -6.025 205 HD21 ASN 25 1HD2 ASN 25 12.319 20.097 -5.794 206 HD22 ASN 25 2HD2 ASN 25 12.107 21.628 -5.022 207 H VAL 26 H VAL 26 9.761 17.432 -9.123 208 HA VAL 26 HA VAL 26 11.505 15.476 -7.940 209 HB VAL 26 HB VAL 26 9.375 15.268 -10.065 210 HG11 VAL 26 1HG1 VAL 26 9.702 12.730 -9.456 211 HG12 VAL 26 2HG1 VAL 26 10.681 13.497 -10.707 212 HG13 VAL 26 3HG1 VAL 26 11.344 13.258 -9.090 213 HG21 VAL 26 3HG2 VAL 26 7.962 14.968 -8.375 214 HG22 VAL 26 1HG2 VAL 26 8.980 13.700 -7.691 215 HG23 VAL 26 2HG2 VAL 26 9.269 15.387 -7.267 216 H LYS 27 H LYS 27 11.389 17.296 -10.896 217 HA LYS 27 HA LYS 27 12.989 15.690 -12.538 218 HB2 LYS 27 2HB LYS 27 13.244 17.583 -13.927 219 HB3 LYS 27 3HB LYS 27 11.662 17.765 -13.181 220 HG2 LYS 27 2HG LYS 27 12.419 19.869 -12.866 221 HG3 LYS 27 3HG LYS 27 13.099 19.138 -11.410 222 HD2 LYS 27 2HD LYS 27 15.218 19.336 -12.151 223 HD3 LYS 27 3HD LYS 27 14.782 18.922 -13.811 224 HE2 LYS 27 2HE LYS 27 15.389 21.123 -14.056 225 HE3 LYS 27 3HE LYS 27 13.655 21.285 -13.781 226 HZ1 LYS 27 3HZ LYS 27 15.599 22.560 -12.386 227 HZ2 LYS 27 1HZ LYS 27 15.188 21.284 -11.354 228 HZ3 LYS 27 2HZ LYS 27 13.997 22.365 -11.878 229 H ALA 28 H ALA 28 13.824 17.997 -10.026 230 HA ALA 28 HA ALA 28 16.554 18.282 -10.559 231 HB1 ALA 28 1HB ALA 28 16.198 19.741 -8.920 232 HB2 ALA 28 2HB ALA 28 14.749 18.890 -8.383 233 HB3 ALA 28 3HB ALA 28 16.335 18.389 -7.795 234 H LYS 29 H LYS 29 14.789 15.804 -8.781 235 HA LYS 29 HA LYS 29 17.033 14.496 -7.671 236 HB2 LYS 29 2HB LYS 29 14.209 14.131 -7.718 237 HB3 LYS 29 3HB LYS 29 14.955 12.610 -8.188 238 HG2 LYS 29 2HG LYS 29 16.386 12.781 -6.141 239 HG3 LYS 29 3HG LYS 29 15.404 14.163 -5.652 240 HD2 LYS 29 2HD LYS 29 13.391 12.651 -5.873 241 HD3 LYS 29 3HD LYS 29 14.525 11.308 -6.037 242 HE2 LYS 29 2HE LYS 29 14.495 13.217 -3.705 243 HE3 LYS 29 3HE LYS 29 13.653 11.668 -3.719 244 HZ1 LYS 29 3HZ LYS 29 16.299 11.238 -4.521 245 HZ2 LYS 29 1HZ LYS 29 15.526 10.685 -3.122 246 HZ3 LYS 29 2HZ LYS 29 16.335 12.170 -3.110 247 H ILE 30 H ILE 30 15.364 14.188 -10.751 248 HA ILE 30 HA ILE 30 16.674 11.818 -11.598 249 HB ILE 30 HB ILE 30 15.479 13.980 -13.335 250 HG12 ILE 30 2HG1 ILE 30 13.822 13.228 -11.731 251 HG13 ILE 30 3HG1 ILE 30 13.443 12.552 -13.311 252 HG21 ILE 30 1HG2 ILE 30 16.054 11.068 -13.861 253 HG22 ILE 30 2HG2 ILE 30 15.184 12.144 -14.953 254 HG23 ILE 30 3HG2 ILE 30 16.880 12.450 -14.579 255 HD11 ILE 30 3HD1 ILE 30 13.101 10.794 -11.834 256 HD12 ILE 30 1HD1 ILE 30 14.698 10.474 -12.508 257 HD13 ILE 30 2HD1 ILE 30 14.545 11.175 -10.896 258 H GLN 31 H GLN 31 17.352 15.259 -12.038 259 HA GLN 31 HA GLN 31 19.544 14.894 -13.807 260 HB2 GLN 31 2HB GLN 31 18.406 17.016 -13.748 261 HB3 GLN 31 3HB GLN 31 18.759 17.212 -12.037 262 HG2 GLN 31 2HG GLN 31 21.196 17.229 -12.653 263 HG3 GLN 31 3HG GLN 31 20.686 17.318 -14.338 264 HE21 GLN 31 1HE2 GLN 31 21.626 19.330 -14.631 265 HE22 GLN 31 2HE2 GLN 31 20.958 20.770 -13.949 266 H ASP 32 H ASP 32 19.193 14.848 -10.350 267 HA ASP 32 HA ASP 32 22.008 15.113 -9.805 268 HB2 ASP 32 2HB ASP 32 19.996 15.718 -8.267 269 HB3 ASP 32 3HB ASP 32 20.014 14.006 -7.852 270 H LYS 33 H LYS 33 20.071 12.637 -10.944 271 HA LYS 33 HA LYS 33 21.861 10.563 -9.867 272 HB2 LYS 33 2HB LYS 33 19.431 10.287 -9.399 273 HB3 LYS 33 3HB LYS 33 19.137 10.214 -11.131 274 HG2 LYS 33 2HG LYS 33 19.559 8.044 -11.144 275 HG3 LYS 33 3HG LYS 33 21.161 8.321 -10.456 276 HD2 LYS 33 2HD LYS 33 19.752 8.605 -8.231 277 HD3 LYS 33 3HD LYS 33 18.609 7.590 -9.113 278 HE2 LYS 33 2HE LYS 33 19.821 5.789 -8.649 279 HE3 LYS 33 3HE LYS 33 21.226 6.510 -9.434 280 HZ1 LYS 33 3HZ LYS 33 21.534 7.746 -7.246 281 HZ2 LYS 33 1HZ LYS 33 21.913 6.097 -7.265 282 HZ3 LYS 33 2HZ LYS 33 20.456 6.622 -6.584 283 H GLU 34 H GLU 34 20.390 11.832 -12.812 284 HA GLU 34 HA GLU 34 22.387 10.319 -14.364 285 HB2 GLU 34 2HB GLU 34 19.602 11.085 -15.258 286 HB3 GLU 34 3HB GLU 34 20.788 10.203 -16.210 287 HG2 GLU 34 2HG GLU 34 19.892 9.132 -13.572 288 HG3 GLU 34 3HG GLU 34 18.888 8.922 -15.006 289 H GLY 35 H GLY 35 20.590 13.312 -13.974 290 HA2 GLY 35 2HA GLY 35 21.389 15.462 -14.426 291 HA3 GLY 35 3HA GLY 35 22.729 14.752 -15.314 292 H ILE 36 H ILE 36 19.548 13.647 -16.047 293 HA ILE 36 HA ILE 36 19.768 14.458 -18.761 294 HB ILE 36 HB ILE 36 17.358 13.422 -17.263 295 HG12 ILE 36 2HG1 ILE 36 19.180 11.821 -17.221 296 HG13 ILE 36 3HG1 ILE 36 17.950 11.267 -18.353 297 HG21 ILE 36 1HG2 ILE 36 16.163 13.698 -19.113 298 HG22 ILE 36 2HG2 ILE 36 17.521 14.573 -19.819 299 HG23 ILE 36 3HG2 ILE 36 17.369 12.833 -20.066 300 HD11 ILE 36 3HD1 ILE 36 19.513 12.590 -20.055 301 HD12 ILE 36 1HD1 ILE 36 20.719 12.160 -18.843 302 HD13 ILE 36 2HD1 ILE 36 19.771 10.898 -19.630 303 HA PRO 37 HA PRO 37 18.206 18.587 -18.300 304 HB2 PRO 37 2HB PRO 37 18.014 19.141 -20.951 305 HB3 PRO 37 3HB PRO 37 19.554 19.122 -20.082 306 HG2 PRO 37 2HG PRO 37 18.329 17.008 -21.811 307 HG3 PRO 37 3HG PRO 37 20.010 17.567 -21.750 308 HD2 PRO 37 2HD PRO 37 19.186 15.293 -20.532 309 HD3 PRO 37 3HD PRO 37 20.495 16.302 -19.885 310 HA PRO 38 HA PRO 38 13.853 17.593 -18.642 311 HB2 PRO 38 2HB PRO 38 12.974 19.867 -17.447 312 HB3 PRO 38 3HB PRO 38 13.630 18.498 -16.542 313 HG2 PRO 38 2HG PRO 38 14.971 21.047 -17.355 314 HG3 PRO 38 3HG PRO 38 15.049 20.187 -15.807 315 HD2 PRO 38 2HD PRO 38 17.009 20.019 -17.667 316 HD3 PRO 38 3HD PRO 38 16.603 18.673 -16.583 317 H ASP 39 H ASP 39 15.640 20.006 -20.180 318 HA ASP 39 HA ASP 39 13.482 21.453 -21.383 319 HB2 ASP 39 2HB ASP 39 16.193 21.874 -21.119 320 HB3 ASP 39 3HB ASP 39 16.029 21.486 -22.829 321 H GLN 40 H GLN 40 15.213 18.542 -22.104 322 HA GLN 40 HA GLN 40 13.844 18.373 -24.707 323 HB2 GLN 40 2HB GLN 40 16.564 17.807 -23.914 324 HB3 GLN 40 3HB GLN 40 15.810 16.374 -24.601 325 HG2 GLN 40 2HG GLN 40 15.477 18.936 -26.053 326 HG3 GLN 40 3HG GLN 40 17.063 18.167 -26.087 327 HE21 GLN 40 1HE2 GLN 40 15.853 18.439 -28.424 328 HE22 GLN 40 2HE2 GLN 40 15.229 16.934 -28.999 329 H GLN 41 H GLN 41 13.687 17.301 -21.596 330 HA GLN 41 HA GLN 41 12.802 14.598 -22.259 331 HB2 GLN 41 2HB GLN 41 14.298 15.249 -20.237 332 HB3 GLN 41 3HB GLN 41 12.791 15.772 -19.496 333 HG2 GLN 41 2HG GLN 41 11.906 13.451 -19.987 334 HG3 GLN 41 3HG GLN 41 13.570 13.008 -20.364 335 HE21 GLN 41 1HE2 GLN 41 11.754 14.702 -17.827 336 HE22 GLN 41 2HE2 GLN 41 12.601 13.983 -16.504 337 H ARG 42 H ARG 42 10.726 14.028 -22.406 338 HA ARG 42 HA ARG 42 8.686 15.824 -21.288 339 HB2 ARG 42 2HB ARG 42 7.516 14.759 -23.571 340 HB3 ARG 42 3HB ARG 42 8.083 16.410 -23.360 341 HG2 ARG 42 2HG ARG 42 10.125 15.962 -24.429 342 HG3 ARG 42 3HG ARG 42 9.892 14.216 -24.314 343 HD2 ARG 42 2HD ARG 42 7.700 14.889 -25.721 344 HD3 ARG 42 3HD ARG 42 8.801 16.160 -26.250 345 HE ARG 42 HE ARG 42 10.207 13.796 -26.456 346 HH11 ARG 42 1HH1 ARG 42 7.296 15.151 -27.802 347 HH12 ARG 42 2HH1 ARG 42 7.422 14.276 -29.292 348 HH21 ARG 42 1HH2 ARG 42 10.384 12.638 -28.413 349 HH22 ARG 42 2HH2 ARG 42 9.179 12.846 -29.638 350 H LEU 43 H LEU 43 7.082 14.826 -20.218 351 HA LEU 43 HA LEU 43 6.802 11.914 -20.539 352 HB2 LEU 43 2HB LEU 43 6.494 11.664 -18.164 353 HB3 LEU 43 3HB LEU 43 8.041 12.446 -18.486 354 HG LEU 43 HG LEU 43 5.668 14.136 -17.835 355 HD11 LEU 43 1HD1 LEU 43 5.409 12.770 -16.012 356 HD12 LEU 43 2HD1 LEU 43 6.610 13.908 -15.402 357 HD13 LEU 43 3HD1 LEU 43 7.113 12.316 -15.970 358 HD21 LEU 43 3HD2 LEU 43 8.177 14.788 -16.584 359 HD22 LEU 43 1HD2 LEU 43 7.207 15.732 -17.715 360 HD23 LEU 43 2HD2 LEU 43 8.386 14.569 -18.322 361 H ILE 44 H ILE 44 4.739 11.081 -20.399 362 HA ILE 44 HA ILE 44 2.550 13.015 -20.042 363 HB ILE 44 HB ILE 44 1.299 11.948 -21.856 364 HG12 ILE 44 2HG1 ILE 44 2.709 9.768 -21.583 365 HG13 ILE 44 3HG1 ILE 44 2.109 10.214 -23.176 366 HG21 ILE 44 1HG2 ILE 44 2.288 13.830 -22.687 367 HG22 ILE 44 2HG2 ILE 44 3.920 13.256 -22.349 368 HG23 ILE 44 3HG2 ILE 44 3.031 12.620 -23.733 369 HD11 ILE 44 3HD1 ILE 44 4.768 11.257 -22.490 370 HD12 ILE 44 1HD1 ILE 44 4.649 9.506 -22.660 371 HD13 ILE 44 2HD1 ILE 44 4.170 10.556 -23.994 372 H PHE 45 H PHE 45 0.486 12.046 -19.481 373 HA PHE 45 HA PHE 45 0.364 9.291 -18.697 374 HB2 PHE 45 2HB PHE 45 1.615 10.052 -16.791 375 HB3 PHE 45 3HB PHE 45 0.546 11.435 -16.577 376 HD1 PHE 45 HD1 PHE 45 0.679 7.738 -16.423 377 HD2 PHE 45 HD2 PHE 45 -1.370 11.278 -15.247 378 HE1 PHE 45 HE1 PHE 45 -0.709 6.418 -14.880 379 HE2 PHE 45 HE2 PHE 45 -2.761 9.964 -13.702 380 HZ PHE 45 HZ PHE 45 -2.432 7.531 -13.515 381 H ALA 46 H ALA 46 -1.694 8.605 -18.718 382 HA ALA 46 HA ALA 46 -3.965 8.610 -18.876 383 HB1 ALA 46 1HB ALA 46 -4.996 9.664 -17.202 384 HB2 ALA 46 2HB ALA 46 -3.399 10.263 -16.754 385 HB3 ALA 46 3HB ALA 46 -4.461 11.250 -17.757 386 H GLY 47 H GLY 47 -2.159 10.031 -20.857 387 HA2 GLY 47 2HA GLY 47 -2.606 10.881 -22.968 388 HA3 GLY 47 3HA GLY 47 -4.295 11.045 -22.510 389 H LYS 48 H LYS 48 -2.644 12.469 -20.085 390 HA LYS 48 HA LYS 48 -2.799 15.113 -21.375 391 HB2 LYS 48 2HB LYS 48 -3.507 14.164 -18.628 392 HB3 LYS 48 3HB LYS 48 -2.982 15.828 -18.846 393 HG2 LYS 48 2HG LYS 48 -5.106 14.800 -20.644 394 HG3 LYS 48 3HG LYS 48 -5.527 15.130 -18.962 395 HD2 LYS 48 2HD LYS 48 -5.103 17.392 -19.163 396 HD3 LYS 48 3HD LYS 48 -4.010 17.171 -20.532 397 HE2 LYS 48 2HE LYS 48 -6.231 16.277 -21.672 398 HE3 LYS 48 3HE LYS 48 -6.978 17.319 -20.463 399 HZ1 LYS 48 3HZ LYS 48 -6.673 18.631 -22.374 400 HZ2 LYS 48 1HZ LYS 48 -5.086 18.092 -22.607 401 HZ3 LYS 48 2HZ LYS 48 -5.451 19.110 -21.307 402 H GLN 49 H GLN 49 -1.084 16.467 -21.270 403 HA GLN 49 HA GLN 49 1.447 15.367 -20.488 404 HB2 GLN 49 2HB GLN 49 2.367 17.514 -21.288 405 HB3 GLN 49 3HB GLN 49 1.303 16.762 -22.469 406 HG2 GLN 49 2HG GLN 49 -0.514 18.264 -21.730 407 HG3 GLN 49 3HG GLN 49 0.628 19.060 -20.648 408 HE21 GLN 49 1HE2 GLN 49 -0.530 20.687 -22.316 409 HE22 GLN 49 2HE2 GLN 49 0.498 21.134 -23.631 410 H LEU 50 H LEU 50 2.401 15.531 -18.575 411 HA LEU 50 HA LEU 50 1.187 16.920 -16.413 412 HB2 LEU 50 2HB LEU 50 3.956 15.741 -16.570 413 HB3 LEU 50 3HB LEU 50 3.076 16.160 -15.101 414 HG LEU 50 HG LEU 50 2.686 13.840 -16.949 415 HD11 LEU 50 1HD1 LEU 50 3.702 14.268 -14.330 416 HD12 LEU 50 2HD1 LEU 50 3.584 12.760 -15.237 417 HD13 LEU 50 3HD1 LEU 50 2.247 13.278 -14.210 418 HD21 LEU 50 3HD2 LEU 50 0.616 15.044 -15.120 419 HD22 LEU 50 1HD2 LEU 50 0.544 13.393 -15.738 420 HD23 LEU 50 2HD2 LEU 50 0.484 14.756 -16.856 421 H GLU 51 H GLU 51 1.370 18.988 -15.884 422 HA GLU 51 HA GLU 51 3.376 20.637 -17.183 423 HB2 GLU 51 2HB GLU 51 0.753 21.046 -16.045 424 HB3 GLU 51 3HB GLU 51 1.895 22.213 -15.393 425 HG2 GLU 51 2HG GLU 51 2.506 22.892 -17.652 426 HG3 GLU 51 3HG GLU 51 1.377 21.712 -18.315 427 H ASP 52 H ASP 52 4.959 21.818 -16.145 428 HA ASP 52 HA ASP 52 6.152 20.675 -13.878 429 HB2 ASP 52 2HB ASP 52 7.876 22.065 -14.333 430 HB3 ASP 52 3HB ASP 52 6.970 22.423 -15.801 431 H GLY 53 H GLY 53 3.665 23.034 -14.191 432 HA2 GLY 53 2HA GLY 53 4.024 24.022 -11.468 433 HA3 GLY 53 3HA GLY 53 2.846 24.599 -12.637 434 H ARG 54 H ARG 54 2.877 21.247 -12.552 435 HA ARG 54 HA ARG 54 0.460 21.246 -10.881 436 HB2 ARG 54 2HB ARG 54 1.264 19.836 -13.323 437 HB3 ARG 54 3HB ARG 54 0.534 18.791 -12.113 438 HG2 ARG 54 2HG ARG 54 -1.170 19.576 -13.600 439 HG3 ARG 54 3HG ARG 54 -1.405 20.325 -12.020 440 HD2 ARG 54 2HD ARG 54 0.118 22.204 -13.111 441 HD3 ARG 54 3HD ARG 54 -0.554 21.533 -14.596 442 HE ARG 54 HE ARG 54 -2.655 21.979 -12.807 443 HH11 ARG 54 1HH1 ARG 54 -0.321 23.787 -14.652 444 HH12 ARG 54 2HH1 ARG 54 -1.336 25.182 -14.814 445 HH21 ARG 54 1HH2 ARG 54 -4.001 23.809 -13.014 446 HH22 ARG 54 2HH2 ARG 54 -3.429 25.193 -13.881 447 H THR 55 H THR 55 0.151 19.667 -9.288 448 HA THR 55 HA THR 55 2.650 18.484 -8.288 449 HB THR 55 HB THR 55 1.995 18.908 -6.171 450 HG1 THR 55 HG1 THR 55 -0.432 18.852 -5.708 451 HG21 THR 55 3HG2 THR 55 -0.117 20.655 -7.423 452 HG22 THR 55 1HG2 THR 55 1.603 21.042 -7.471 453 HG23 THR 55 2HG2 THR 55 0.767 20.928 -5.922 454 H LEU 56 H LEU 56 2.460 16.386 -7.167 455 HA LEU 56 HA LEU 56 1.341 14.423 -8.812 456 HB2 LEU 56 2HB LEU 56 3.104 14.462 -6.721 457 HB3 LEU 56 3HB LEU 56 1.717 13.631 -6.020 458 HG LEU 56 HG LEU 56 2.157 12.422 -8.515 459 HD11 LEU 56 1HD1 LEU 56 4.726 12.807 -6.985 460 HD12 LEU 56 2HD1 LEU 56 4.366 13.411 -8.603 461 HD13 LEU 56 3HD1 LEU 56 4.488 11.675 -8.317 462 HD21 LEU 56 3HD2 LEU 56 2.510 10.465 -7.220 463 HD22 LEU 56 1HD2 LEU 56 1.348 11.456 -6.337 464 HD23 LEU 56 2HD2 LEU 56 3.034 11.403 -5.820 465 H SER 57 H SER 57 0.262 15.578 -5.621 466 HA SER 57 HA SER 57 -2.035 13.964 -5.472 467 HB2 SER 57 2HB SER 57 -2.221 14.905 -3.441 468 HB3 SER 57 3HB SER 57 -0.777 15.840 -3.829 469 HG SER 57 HG SER 57 -2.902 16.939 -3.211 470 H ASP 58 H ASP 58 -1.433 17.063 -6.977 471 HA ASP 58 HA ASP 58 -4.103 17.860 -7.377 472 HB2 ASP 58 2HB ASP 58 -2.344 19.470 -7.653 473 HB3 ASP 58 3HB ASP 58 -1.578 18.499 -8.908 474 H TYR 59 H TYR 59 -2.074 15.575 -9.022 475 HA TYR 59 HA TYR 59 -3.915 15.364 -11.274 476 HB2 TYR 59 2HB TYR 59 -1.136 14.860 -10.889 477 HB3 TYR 59 3HB TYR 59 -1.903 13.346 -11.356 478 HD1 TYR 59 HD2 TYR 59 -1.632 16.922 -12.362 479 HD2 TYR 59 HD1 TYR 59 -2.356 12.917 -13.602 480 HE1 TYR 59 HE2 TYR 59 -1.629 17.655 -14.710 481 HE2 TYR 59 HE1 TYR 59 -2.354 13.638 -15.953 482 HH TYR 59 HH TYR 59 -2.545 16.874 -16.884 483 H ASN 60 H ASN 60 -3.961 14.285 -8.235 484 HA ASN 60 HA ASN 60 -4.939 12.555 -7.127 485 HB2 ASN 60 2HB ASN 60 -6.681 13.297 -9.036 486 HB3 ASN 60 3HB ASN 60 -6.409 11.630 -9.535 487 HD21 ASN 60 1HD2 ASN 60 -8.515 11.049 -9.022 488 HD22 ASN 60 2HD2 ASN 60 -9.046 10.869 -7.388 489 H ILE 61 H ILE 61 -2.426 12.020 -8.334 490 HA ILE 61 HA ILE 61 -2.442 9.504 -9.665 491 HB ILE 61 HB ILE 61 -0.177 10.823 -8.163 492 HG12 ILE 61 2HG1 ILE 61 -1.117 12.237 -9.967 493 HG13 ILE 61 3HG1 ILE 61 0.522 11.703 -10.322 494 HG21 ILE 61 1HG2 ILE 61 1.064 9.405 -10.023 495 HG22 ILE 61 2HG2 ILE 61 0.628 8.712 -8.462 496 HG23 ILE 61 3HG2 ILE 61 -0.382 8.406 -9.875 497 HD11 ILE 61 3HD1 ILE 61 -0.151 10.830 -12.233 498 HD12 ILE 61 1HD1 ILE 61 -1.325 9.816 -11.394 499 HD13 ILE 61 2HD1 ILE 61 -1.774 11.440 -11.915 500 H GLN 62 H GLN 62 -3.539 7.958 -8.520 501 HA GLN 62 HA GLN 62 -3.133 7.514 -5.728 502 HB2 GLN 62 2HB GLN 62 -5.034 6.751 -7.586 503 HB3 GLN 62 3HB GLN 62 -4.200 5.245 -7.223 504 HG2 GLN 62 2HG GLN 62 -4.583 6.313 -4.735 505 HG3 GLN 62 3HG GLN 62 -6.039 6.813 -5.595 506 HE21 GLN 62 1HE2 GLN 62 -7.355 5.460 -4.393 507 HE22 GLN 62 2HE2 GLN 62 -7.353 3.744 -4.598 508 H LYS 63 H LYS 63 -2.699 5.039 -5.138 509 HA LYS 63 HA LYS 63 0.055 4.601 -5.803 510 HB2 LYS 63 2HB LYS 63 -0.062 2.747 -4.231 511 HB3 LYS 63 3HB LYS 63 -0.827 4.173 -3.542 512 HG2 LYS 63 2HG LYS 63 -3.031 3.227 -4.256 513 HG3 LYS 63 3HG LYS 63 -2.178 1.745 -4.693 514 HD2 LYS 63 2HD LYS 63 -2.208 1.063 -2.577 515 HD3 LYS 63 3HD LYS 63 -1.402 2.545 -2.057 516 HE2 LYS 63 2HE LYS 63 -4.286 2.745 -2.690 517 HE3 LYS 63 3HE LYS 63 -3.855 1.838 -1.240 518 HZ1 LYS 63 3HZ LYS 63 -4.251 4.202 -0.797 519 HZ2 LYS 63 1HZ LYS 63 -2.972 4.612 -1.826 520 HZ3 LYS 63 2HZ LYS 63 -2.671 3.743 -0.407 521 H GLU 64 H GLU 64 0.965 2.920 -6.955 522 HA GLU 64 HA GLU 64 1.095 1.113 -8.365 523 HB2 GLU 64 2HB GLU 64 -1.044 0.395 -6.989 524 HB3 GLU 64 3HB GLU 64 -1.872 0.798 -8.486 525 HG2 GLU 64 2HG GLU 64 0.304 -0.769 -9.251 526 HG3 GLU 64 3HG GLU 64 -0.347 -1.541 -7.806 527 H SER 65 H SER 65 0.630 3.937 -9.085 528 HA SER 65 HA SER 65 -0.897 3.824 -11.548 529 HB2 SER 65 2HB SER 65 -0.324 6.217 -11.745 530 HB3 SER 65 3HB SER 65 -1.021 5.844 -10.169 531 HG SER 65 HG SER 65 1.568 5.518 -9.921 532 H THR 66 H THR 66 -0.087 3.837 -13.594 533 HA THR 66 HA THR 66 2.826 3.474 -13.844 534 HB THR 66 HB THR 66 1.561 1.474 -14.474 535 HG1 THR 66 HG1 THR 66 3.492 2.226 -15.686 536 HG21 THR 66 3HG2 THR 66 -0.314 1.513 -15.692 537 HG22 THR 66 1HG2 THR 66 0.426 2.520 -16.935 538 HG23 THR 66 2HG2 THR 66 -0.288 3.266 -15.505 539 H LEU 67 H LEU 67 3.927 4.945 -14.961 540 HA LEU 67 HA LEU 67 2.422 6.808 -16.672 541 HB2 LEU 67 2HB LEU 67 5.158 7.363 -15.598 542 HB3 LEU 67 3HB LEU 67 3.922 8.501 -16.131 543 HG LEU 67 HG LEU 67 2.701 7.352 -13.988 544 HD11 LEU 67 1HD1 LEU 67 5.560 7.701 -13.136 545 HD12 LEU 67 2HD1 LEU 67 4.879 6.129 -13.554 546 HD13 LEU 67 3HD1 LEU 67 4.209 7.051 -12.208 547 HD21 LEU 67 3HD2 LEU 67 4.213 9.524 -12.999 548 HD22 LEU 67 1HD2 LEU 67 2.547 9.525 -13.577 549 HD23 LEU 67 2HD2 LEU 67 3.869 9.853 -14.697 550 H HIS 68 H HIS 68 3.218 7.357 -18.703 551 HA HIS 68 HA HIS 68 4.918 5.336 -19.912 552 HB2 HIS 68 2HB HIS 68 3.178 7.535 -21.000 553 HB3 HIS 68 3HB HIS 68 4.326 6.689 -22.033 554 HD1 HIS 68 HD1 HIS 68 3.865 3.823 -20.866 555 HD2 HIS 68 HD2 HIS 68 0.864 6.462 -22.002 556 HE1 HIS 68 HE1 HIS 68 1.859 2.388 -21.360 557 H LEU 69 H LEU 69 6.875 5.710 -20.907 558 HA LEU 69 HA LEU 69 8.088 8.347 -20.396 559 HB2 LEU 69 2HB LEU 69 8.876 5.831 -19.455 560 HB3 LEU 69 3HB LEU 69 10.024 6.242 -20.729 561 HG LEU 69 HG LEU 69 9.453 7.800 -18.212 562 HD11 LEU 69 1HD1 LEU 69 11.967 7.410 -17.974 563 HD12 LEU 69 2HD1 LEU 69 11.765 6.173 -19.214 564 HD13 LEU 69 3HD1 LEU 69 10.896 6.039 -17.685 565 HD21 LEU 69 3HD2 LEU 69 11.112 8.514 -20.621 566 HD22 LEU 69 1HD2 LEU 69 11.291 9.290 -19.047 567 HD23 LEU 69 2HD2 LEU 69 9.766 9.419 -19.926 568 H VAL 70 H VAL 70 8.922 9.401 -22.087 569 HA VAL 70 HA VAL 70 8.759 8.163 -24.710 570 HB VAL 70 HB VAL 70 7.974 10.539 -24.166 571 HG11 VAL 70 1HG1 VAL 70 9.526 12.286 -24.051 572 HG12 VAL 70 2HG1 VAL 70 10.194 11.044 -22.990 573 HG13 VAL 70 3HG1 VAL 70 10.851 11.267 -24.611 574 HG21 VAL 70 3HG2 VAL 70 9.794 10.803 -26.456 575 HG22 VAL 70 1HG2 VAL 70 8.777 9.362 -26.477 576 HG23 VAL 70 2HG2 VAL 70 8.039 10.961 -26.375 577 H LEU 71 H LEU 71 10.524 8.369 -26.263 578 HA LEU 71 HA LEU 71 13.154 8.152 -24.953 579 HB2 LEU 71 2HB LEU 71 11.978 6.149 -26.198 580 HB3 LEU 71 3HB LEU 71 12.625 6.952 -27.627 581 HG LEU 71 HG LEU 71 14.522 6.422 -25.414 582 HD11 LEU 71 1HD1 LEU 71 14.305 4.132 -27.171 583 HD12 LEU 71 2HD1 LEU 71 12.848 4.366 -26.207 584 HD13 LEU 71 3HD1 LEU 71 14.413 4.202 -25.412 585 HD21 LEU 71 3HD2 LEU 71 14.531 6.912 -28.282 586 HD22 LEU 71 1HD2 LEU 71 15.566 5.563 -27.813 587 HD23 LEU 71 2HD2 LEU 71 15.806 7.153 -27.086 588 H ARG 72 H ARG 72 15.010 8.832 -26.229 589 HA ARG 72 HA ARG 72 14.323 11.047 -28.046 590 HB2 ARG 72 2HB ARG 72 16.602 11.945 -27.380 591 HB3 ARG 72 3HB ARG 72 15.365 11.967 -26.130 592 HG2 ARG 72 2HG ARG 72 16.877 9.505 -26.079 593 HG3 ARG 72 3HG ARG 72 17.920 10.920 -25.926 594 HD2 ARG 72 2HD ARG 72 17.151 11.409 -23.877 595 HD3 ARG 72 3HD ARG 72 15.481 11.064 -24.321 596 HE ARG 72 HE ARG 72 17.027 8.683 -24.072 597 HH11 ARG 72 1HH1 ARG 72 15.335 11.122 -22.254 598 HH12 ARG 72 2HH1 ARG 72 15.024 10.084 -20.902 599 HH21 ARG 72 1HH2 ARG 72 16.624 7.307 -22.299 600 HH22 ARG 72 2HH2 ARG 72 15.759 7.914 -20.928 601 H LEU 73 H LEU 73 14.775 10.672 -30.104 602 HA LEU 73 HA LEU 73 16.834 8.697 -30.779 603 HB2 LEU 73 2HB LEU 73 14.283 9.471 -31.914 604 HB3 LEU 73 3HB LEU 73 15.564 9.464 -33.125 605 HG LEU 73 HG LEU 73 14.941 7.115 -31.343 606 HD11 LEU 73 1HD1 LEU 73 13.051 6.981 -32.550 607 HD12 LEU 73 2HD1 LEU 73 14.122 6.370 -33.810 608 HD13 LEU 73 3HD1 LEU 73 13.648 8.069 -33.803 609 HD21 LEU 73 3HD2 LEU 73 16.421 5.901 -32.640 610 HD22 LEU 73 1HD2 LEU 73 17.227 7.466 -32.521 611 HD23 LEU 73 2HD2 LEU 73 16.340 7.040 -33.985 612 H ARG 74 H ARG 74 18.558 9.170 -32.091 613 HA ARG 74 HA ARG 74 18.958 12.023 -32.712 614 HB2 ARG 74 2HB ARG 74 20.589 10.164 -31.253 615 HB3 ARG 74 3HB ARG 74 21.455 10.698 -32.687 616 HG2 ARG 74 2HG ARG 74 21.824 12.723 -31.838 617 HG3 ARG 74 3HG ARG 74 20.161 12.884 -31.271 618 HD2 ARG 74 2HD ARG 74 20.649 11.648 -29.283 619 HD3 ARG 74 3HD ARG 74 22.253 11.222 -29.880 620 HE ARG 74 HE ARG 74 21.976 14.030 -29.751 621 HH11 ARG 74 1HH1 ARG 74 22.364 11.230 -27.720 622 HH12 ARG 74 2HH1 ARG 74 23.156 12.100 -26.449 623 HH21 ARG 74 1HH2 ARG 74 23.019 15.187 -28.085 624 HH22 ARG 74 2HH2 ARG 74 23.528 14.351 -26.657 625 H GLY 75 H GLY 75 18.655 12.335 -34.823 626 HA2 GLY 75 2HA GLY 75 19.837 12.102 -36.980 627 HA3 GLY 75 3HA GLY 75 19.845 10.370 -36.683 628 H GLY 76 H GLY 76 18.221 12.928 -38.158 629 HA2 GLY 76 2HA GLY 76 16.361 11.263 -39.451 630 HA3 GLY 76 3HA GLY 76 15.551 12.061 -38.110 Start of MODEL 13 1 H1 GLY 0 H GLY 0 1.327 3.933 2.144 2 HA2 GLY 0 2HA GLY 0 3.656 3.651 1.350 3 HA3 GLY 0 3HA GLY 0 3.111 2.167 0.582 4 H MET 1 H MET 1 3.823 5.362 0.069 5 HA MET 1 HA MET 1 1.928 5.728 -2.118 6 HB2 MET 1 2HB MET 1 3.890 7.508 -0.715 7 HB3 MET 1 3HB MET 1 3.283 7.955 -2.303 8 HG2 MET 1 2HG MET 1 1.179 8.364 -1.543 9 HG3 MET 1 3HG MET 1 1.305 7.192 -0.233 10 HE1 MET 1 3HE MET 1 0.262 10.170 1.484 11 HE2 MET 1 1HE MET 1 0.102 8.449 1.133 12 HE3 MET 1 2HE MET 1 1.105 8.985 2.482 13 H GLN 2 H GLN 2 3.349 3.644 -2.818 14 HA GLN 2 HA GLN 2 5.666 4.506 -4.372 15 HB2 GLN 2 2HB GLN 2 5.988 2.086 -4.799 16 HB3 GLN 2 3HB GLN 2 5.959 2.481 -3.085 17 HG2 GLN 2 2HG GLN 2 3.706 1.667 -2.883 18 HG3 GLN 2 3HG GLN 2 3.612 1.397 -4.623 19 HE21 GLN 2 1HE2 GLN 2 3.577 -0.703 -4.969 20 HE22 GLN 2 2HE2 GLN 2 4.615 -1.872 -4.235 21 H ILE 3 H ILE 3 5.755 4.512 -6.571 22 HA ILE 3 HA ILE 3 3.280 3.806 -8.007 23 HB ILE 3 HB ILE 3 3.734 5.652 -9.576 24 HG12 ILE 3 2HG1 ILE 3 5.798 6.593 -7.581 25 HG13 ILE 3 3HG1 ILE 3 6.213 5.721 -9.053 26 HG21 ILE 3 1HG2 ILE 3 2.472 5.787 -7.219 27 HG22 ILE 3 2HG2 ILE 3 3.690 7.036 -6.967 28 HG23 ILE 3 3HG2 ILE 3 2.580 7.150 -8.332 29 HD11 ILE 3 3HD1 ILE 3 5.854 7.508 -10.367 30 HD12 ILE 3 1HD1 ILE 3 4.495 8.083 -9.402 31 HD13 ILE 3 2HD1 ILE 3 6.148 8.391 -8.869 32 H PHE 4 H PHE 4 3.672 3.517 -10.401 33 HA PHE 4 HA PHE 4 6.299 2.276 -10.882 34 HB2 PHE 4 2HB PHE 4 3.742 1.013 -10.834 35 HB3 PHE 4 3HB PHE 4 4.330 0.997 -12.493 36 HD1 PHE 4 HD1 PHE 4 6.509 -0.068 -13.014 37 HD2 PHE 4 HD2 PHE 4 4.699 -0.367 -9.174 38 HE1 PHE 4 HE1 PHE 4 7.962 -1.982 -12.482 39 HE2 PHE 4 HE2 PHE 4 6.149 -2.281 -8.635 40 HZ PHE 4 HZ PHE 4 7.784 -3.090 -10.290 41 H VAL 5 H VAL 5 7.276 2.752 -12.773 42 HA VAL 5 HA VAL 5 5.774 4.430 -14.676 43 HB VAL 5 HB VAL 5 8.764 4.509 -14.426 44 HG11 VAL 5 1HG1 VAL 5 8.657 6.306 -15.788 45 HG12 VAL 5 2HG1 VAL 5 7.111 5.596 -16.256 46 HG13 VAL 5 3HG1 VAL 5 7.161 6.898 -15.067 47 HG21 VAL 5 3HG2 VAL 5 8.127 6.688 -13.048 48 HG22 VAL 5 1HG2 VAL 5 6.744 5.689 -12.601 49 HG23 VAL 5 2HG2 VAL 5 8.382 5.128 -12.266 50 H LYS 6 H LYS 6 5.524 3.636 -16.653 51 HA LYS 6 HA LYS 6 7.161 1.337 -17.462 52 HB2 LYS 6 2HB LYS 6 4.758 0.938 -17.454 53 HB3 LYS 6 3HB LYS 6 4.499 2.328 -18.500 54 HG2 LYS 6 2HG LYS 6 5.152 1.224 -20.364 55 HG3 LYS 6 3HG LYS 6 6.332 0.235 -19.500 56 HD2 LYS 6 2HD LYS 6 4.750 -1.349 -19.999 57 HD3 LYS 6 3HD LYS 6 4.172 -0.812 -18.420 58 HE2 LYS 6 2HE LYS 6 2.209 -0.528 -19.466 59 HE3 LYS 6 3HE LYS 6 2.937 0.952 -20.088 60 HZ1 LYS 6 3HZ LYS 6 1.974 -0.323 -21.875 61 HZ2 LYS 6 1HZ LYS 6 2.889 -1.683 -21.457 62 HZ3 LYS 6 2HZ LYS 6 3.657 -0.298 -22.048 63 H THR 7 H THR 7 8.304 1.315 -19.357 64 HA THR 7 HA THR 7 8.483 3.886 -20.787 65 HB THR 7 HB THR 7 10.581 3.595 -19.781 66 HG1 THR 7 HG1 THR 7 11.872 3.464 -21.547 67 HG21 THR 7 3HG2 THR 7 10.051 0.727 -20.235 68 HG22 THR 7 1HG2 THR 7 10.843 1.533 -18.882 69 HG23 THR 7 2HG2 THR 7 11.736 1.229 -20.373 70 H LEU 8 H LEU 8 9.156 3.719 -23.075 71 HA LEU 8 HA LEU 8 7.464 1.964 -24.500 72 HB2 LEU 8 2HB LEU 8 8.587 2.852 -26.506 73 HB3 LEU 8 3HB LEU 8 8.030 4.112 -25.406 74 HG LEU 8 HG LEU 8 10.493 4.058 -24.545 75 HD11 LEU 8 1HD1 LEU 8 11.754 3.650 -26.938 76 HD12 LEU 8 2HD1 LEU 8 10.581 2.334 -26.898 77 HD13 LEU 8 3HD1 LEU 8 11.739 2.522 -25.581 78 HD21 LEU 8 3HD2 LEU 8 10.350 6.073 -25.462 79 HD22 LEU 8 1HD2 LEU 8 9.106 5.515 -26.581 80 HD23 LEU 8 2HD2 LEU 8 10.810 5.371 -27.014 81 H THR 9 H THR 9 10.478 1.457 -23.106 82 HA THR 9 HA THR 9 11.354 -0.540 -25.032 83 HB THR 9 HB THR 9 13.077 -0.845 -22.969 84 HG1 THR 9 HG1 THR 9 13.466 1.351 -22.208 85 HG21 THR 9 3HG2 THR 9 14.476 -0.172 -24.566 86 HG22 THR 9 1HG2 THR 9 13.888 1.485 -24.437 87 HG23 THR 9 2HG2 THR 9 13.084 0.347 -25.517 88 H GLY 10 H GLY 10 8.918 -0.681 -23.098 89 HA2 GLY 10 2HA GLY 10 7.783 -2.384 -22.056 90 HA3 GLY 10 3HA GLY 10 8.963 -3.482 -22.757 91 H LYS 11 H LYS 11 10.374 -1.033 -20.891 92 HA LYS 11 HA LYS 11 11.040 -2.968 -18.820 93 HB2 LYS 11 2HB LYS 11 12.296 -0.625 -19.974 94 HB3 LYS 11 3HB LYS 11 12.281 -0.534 -18.217 95 HG2 LYS 11 2HG LYS 11 13.077 -3.154 -19.168 96 HG3 LYS 11 3HG LYS 11 14.121 -1.868 -19.779 97 HD2 LYS 11 2HD LYS 11 13.764 -1.204 -17.122 98 HD3 LYS 11 3HD LYS 11 13.883 -2.965 -17.093 99 HE2 LYS 11 2HE LYS 11 16.095 -2.283 -16.896 100 HE3 LYS 11 3HE LYS 11 15.936 -2.627 -18.617 101 HZ1 LYS 11 3HZ LYS 11 16.957 -0.368 -17.656 102 HZ2 LYS 11 1HZ LYS 11 15.338 0.098 -17.815 103 HZ3 LYS 11 2HZ LYS 11 16.190 -0.474 -19.160 104 H THR 12 H THR 12 10.254 -2.947 -16.806 105 HA THR 12 HA THR 12 8.399 -0.784 -16.090 106 HB THR 12 HB THR 12 8.329 -3.008 -14.256 107 HG1 THR 12 HG1 THR 12 7.755 -3.668 -16.967 108 HG21 THR 12 3HG2 THR 12 6.129 -2.557 -14.324 109 HG22 THR 12 1HG2 THR 12 6.073 -2.636 -16.084 110 HG23 THR 12 2HG2 THR 12 6.594 -1.153 -15.284 111 H ILE 13 H ILE 13 9.066 0.678 -14.674 112 HA ILE 13 HA ILE 13 11.141 -0.093 -12.726 113 HB ILE 13 HB ILE 13 10.651 2.670 -13.843 114 HG12 ILE 13 2HG1 ILE 13 13.153 1.966 -14.656 115 HG13 ILE 13 3HG1 ILE 13 12.324 0.417 -14.755 116 HG21 ILE 13 1HG2 ILE 13 12.905 3.091 -12.783 117 HG22 ILE 13 2HG2 ILE 13 11.558 2.864 -11.669 118 HG23 ILE 13 3HG2 ILE 13 12.701 1.551 -11.949 119 HD11 ILE 13 3HD1 ILE 13 11.894 2.906 -16.313 120 HD12 ILE 13 1HD1 ILE 13 11.959 1.229 -16.852 121 HD13 ILE 13 2HD1 ILE 13 10.522 1.836 -16.029 122 H THR 14 H THR 14 10.965 0.672 -10.610 123 HA THR 14 HA THR 14 8.319 1.760 -9.896 124 HB THR 14 HB THR 14 8.633 -0.607 -9.188 125 HG1 THR 14 HG1 THR 14 7.232 0.414 -7.880 126 HG21 THR 14 3HG2 THR 14 10.504 0.239 -7.046 127 HG22 THR 14 1HG2 THR 14 11.179 -0.005 -8.656 128 HG23 THR 14 2HG2 THR 14 10.331 -1.323 -7.846 129 H LEU 15 H LEU 15 8.237 3.467 -8.523 130 HA LEU 15 HA LEU 15 10.664 4.303 -7.128 131 HB2 LEU 15 2HB LEU 15 9.227 5.860 -9.238 132 HB3 LEU 15 3HB LEU 15 10.055 6.700 -7.928 133 HG LEU 15 HG LEU 15 11.873 4.820 -9.025 134 HD11 LEU 15 1HD1 LEU 15 10.130 5.166 -10.974 135 HD12 LEU 15 2HD1 LEU 15 11.864 5.108 -11.288 136 HD13 LEU 15 3HD1 LEU 15 11.035 6.662 -11.201 137 HD21 LEU 15 3HD2 LEU 15 12.050 7.708 -9.678 138 HD22 LEU 15 1HD2 LEU 15 13.271 6.612 -9.030 139 HD23 LEU 15 2HD2 LEU 15 12.015 7.256 -7.972 140 H GLU 16 H GLU 16 10.119 6.362 -5.781 141 HA GLU 16 HA GLU 16 7.381 6.150 -4.727 142 HB2 GLU 16 2HB GLU 16 9.650 5.232 -3.410 143 HB3 GLU 16 3HB GLU 16 9.348 6.805 -2.685 144 HG2 GLU 16 2HG GLU 16 7.057 6.127 -2.170 145 HG3 GLU 16 3HG GLU 16 7.369 4.546 -2.885 146 H VAL 17 H VAL 17 6.420 8.040 -4.131 147 HA VAL 17 HA VAL 17 7.979 10.480 -3.915 148 HB VAL 17 HB VAL 17 6.440 11.653 -5.556 149 HG11 VAL 17 1HG1 VAL 17 8.319 9.582 -6.687 150 HG12 VAL 17 2HG1 VAL 17 7.806 11.075 -7.476 151 HG13 VAL 17 3HG1 VAL 17 8.802 11.142 -6.021 152 HG21 VAL 17 3HG2 VAL 17 4.750 9.885 -5.710 153 HG22 VAL 17 1HG2 VAL 17 5.412 10.288 -7.295 154 HG23 VAL 17 2HG2 VAL 17 5.934 8.821 -6.468 155 H GLU 18 H GLU 18 6.259 12.399 -3.718 156 HA GLU 18 HA GLU 18 4.111 11.459 -1.935 157 HB2 GLU 18 2HB GLU 18 6.291 13.364 -1.436 158 HB3 GLU 18 3HB GLU 18 4.701 13.959 -0.982 159 HG2 GLU 18 2HG GLU 18 4.427 12.393 0.661 160 HG3 GLU 18 3HG GLU 18 5.502 11.231 -0.114 161 HA PRO 19 HA PRO 19 1.266 13.978 -4.124 162 HB2 PRO 19 2HB PRO 19 -0.257 15.046 -2.146 163 HB3 PRO 19 3HB PRO 19 -0.339 13.342 -2.607 164 HG2 PRO 19 2HG PRO 19 1.122 14.618 -0.328 165 HG3 PRO 19 3HG PRO 19 0.164 13.126 -0.347 166 HD2 PRO 19 2HD PRO 19 2.870 13.122 -0.450 167 HD3 PRO 19 3HD PRO 19 1.882 11.887 -1.256 168 H SER 20 H SER 20 3.030 15.542 -1.518 169 HA SER 20 HA SER 20 2.406 18.202 -2.472 170 HB2 SER 20 2HB SER 20 3.137 18.912 -0.454 171 HB3 SER 20 3HB SER 20 3.089 17.206 -0.009 172 HG SER 20 HG SER 20 5.223 17.088 -0.150 173 H ASP 21 H ASP 21 4.383 15.857 -3.569 174 HA ASP 21 HA ASP 21 6.686 17.529 -4.164 175 HB2 ASP 21 2HB ASP 21 6.733 15.005 -3.578 176 HB3 ASP 21 3HB ASP 21 6.240 14.763 -5.252 177 H THR 22 H THR 22 7.158 18.416 -6.107 178 HA THR 22 HA THR 22 5.081 18.222 -8.177 179 HB THR 22 HB THR 22 5.608 20.373 -8.890 180 HG1 THR 22 HG1 THR 22 7.611 21.051 -8.966 181 HG21 THR 22 3HG2 THR 22 5.118 21.624 -7.064 182 HG22 THR 22 1HG2 THR 22 6.439 20.948 -6.113 183 HG23 THR 22 2HG2 THR 22 4.937 20.044 -6.303 184 H ILE 23 H ILE 23 5.639 17.944 -10.358 185 HA ILE 23 HA ILE 23 7.690 16.115 -10.885 186 HB ILE 23 HB ILE 23 5.690 16.354 -12.303 187 HG12 ILE 23 2HG1 ILE 23 6.830 16.086 -14.472 188 HG13 ILE 23 3HG1 ILE 23 8.298 16.770 -13.783 189 HG21 ILE 23 1HG2 ILE 23 6.729 18.550 -13.911 190 HG22 ILE 23 2HG2 ILE 23 5.094 18.249 -13.324 191 HG23 ILE 23 3HG2 ILE 23 6.276 19.036 -12.278 192 HD11 ILE 23 3HD1 ILE 23 6.988 14.262 -12.769 193 HD12 ILE 23 1HD1 ILE 23 8.279 14.288 -13.970 194 HD13 ILE 23 2HD1 ILE 23 8.576 14.898 -12.342 195 H GLU 24 H GLU 24 7.681 19.581 -10.838 196 HA GLU 24 HA GLU 24 10.088 19.896 -12.372 197 HB2 GLU 24 2HB GLU 24 8.332 21.654 -12.212 198 HB3 GLU 24 3HB GLU 24 8.745 21.868 -10.517 199 HG2 GLU 24 2HG GLU 24 10.568 23.079 -10.981 200 HG3 GLU 24 3HG GLU 24 11.017 22.067 -12.353 201 H ASN 25 H ASN 25 9.254 19.585 -8.987 202 HA ASN 25 HA ASN 25 11.842 20.337 -8.011 203 HB2 ASN 25 2HB ASN 25 9.313 19.945 -6.884 204 HB3 ASN 25 3HB ASN 25 10.318 18.682 -6.181 205 HD21 ASN 25 1HD2 ASN 25 12.559 19.538 -5.509 206 HD22 ASN 25 2HD2 ASN 25 12.544 21.011 -4.606 207 H VAL 26 H VAL 26 10.197 17.311 -8.747 208 HA VAL 26 HA VAL 26 12.118 15.569 -7.635 209 HB VAL 26 HB VAL 26 10.180 15.102 -9.904 210 HG11 VAL 26 1HG1 VAL 26 10.538 12.659 -9.061 211 HG12 VAL 26 2HG1 VAL 26 11.681 13.376 -10.198 212 HG13 VAL 26 3HG1 VAL 26 12.080 13.290 -8.482 213 HG21 VAL 26 3HG2 VAL 26 9.991 14.340 -6.992 214 HG22 VAL 26 1HG2 VAL 26 9.161 15.707 -7.735 215 HG23 VAL 26 2HG2 VAL 26 8.773 14.062 -8.237 216 H LYS 27 H LYS 27 12.004 17.352 -10.605 217 HA LYS 27 HA LYS 27 13.731 15.874 -12.210 218 HB2 LYS 27 2HB LYS 27 12.584 17.693 -13.203 219 HB3 LYS 27 3HB LYS 27 13.201 18.832 -12.013 220 HG2 LYS 27 2HG LYS 27 15.189 17.431 -13.701 221 HG3 LYS 27 3HG LYS 27 14.180 18.656 -14.475 222 HD2 LYS 27 2HD LYS 27 15.062 19.706 -11.994 223 HD3 LYS 27 3HD LYS 27 16.465 19.013 -12.810 224 HE2 LYS 27 2HE LYS 27 16.261 20.431 -14.635 225 HE3 LYS 27 3HE LYS 27 14.561 20.766 -14.310 226 HZ1 LYS 27 3HZ LYS 27 15.076 22.431 -12.930 227 HZ2 LYS 27 1HZ LYS 27 16.592 22.408 -13.680 228 HZ3 LYS 27 2HZ LYS 27 16.362 21.598 -12.214 229 H ALA 28 H ALA 28 14.440 18.237 -9.684 230 HA ALA 28 HA ALA 28 17.200 18.465 -10.094 231 HB1 ALA 28 1HB ALA 28 15.350 18.987 -7.840 232 HB2 ALA 28 2HB ALA 28 17.071 18.875 -7.466 233 HB3 ALA 28 3HB ALA 28 16.498 20.061 -8.639 234 H LYS 29 H LYS 29 15.323 16.150 -8.190 235 HA LYS 29 HA LYS 29 17.495 14.857 -6.952 236 HB2 LYS 29 2HB LYS 29 14.780 14.666 -6.772 237 HB3 LYS 29 3HB LYS 29 15.171 13.171 -7.614 238 HG2 LYS 29 2HG LYS 29 15.185 12.597 -5.355 239 HG3 LYS 29 3HG LYS 29 16.890 12.783 -5.771 240 HD2 LYS 29 2HD LYS 29 16.971 14.947 -4.753 241 HD3 LYS 29 3HD LYS 29 15.221 14.963 -4.524 242 HE2 LYS 29 2HE LYS 29 15.315 13.620 -2.702 243 HE3 LYS 29 3HE LYS 29 16.679 12.692 -3.323 244 HZ1 LYS 29 3HZ LYS 29 16.679 14.874 -1.511 245 HZ2 LYS 29 1HZ LYS 29 17.647 15.229 -2.853 246 HZ3 LYS 29 2HZ LYS 29 17.949 13.840 -1.937 247 H ILE 30 H ILE 30 15.830 14.269 -10.014 248 HA ILE 30 HA ILE 30 17.170 11.876 -10.677 249 HB ILE 30 HB ILE 30 15.991 13.927 -12.555 250 HG12 ILE 30 2HG1 ILE 30 14.379 13.104 -10.870 251 HG13 ILE 30 3HG1 ILE 30 13.970 12.566 -12.496 252 HG21 ILE 30 1HG2 ILE 30 17.201 11.270 -12.937 253 HG22 ILE 30 2HG2 ILE 30 15.680 11.547 -13.784 254 HG23 ILE 30 3HG2 ILE 30 17.051 12.623 -14.058 255 HD11 ILE 30 3HD1 ILE 30 15.655 10.644 -11.174 256 HD12 ILE 30 1HD1 ILE 30 14.219 11.002 -10.214 257 HD13 ILE 30 2HD1 ILE 30 14.051 10.443 -11.879 258 H GLN 31 H GLN 31 17.886 15.272 -11.350 259 HA GLN 31 HA GLN 31 20.098 14.785 -13.052 260 HB2 GLN 31 2HB GLN 31 19.187 17.174 -11.467 261 HB3 GLN 31 3HB GLN 31 20.691 17.200 -12.378 262 HG2 GLN 31 2HG GLN 31 19.157 16.387 -14.338 263 HG3 GLN 31 3HG GLN 31 17.883 17.104 -13.353 264 HE21 GLN 31 1HE2 GLN 31 20.447 17.673 -15.511 265 HE22 GLN 31 2HE2 GLN 31 20.378 19.399 -15.511 266 H ASP 32 H ASP 32 19.712 14.918 -9.599 267 HA ASP 32 HA ASP 32 22.521 15.168 -9.032 268 HB2 ASP 32 2HB ASP 32 20.370 15.749 -7.566 269 HB3 ASP 32 3HB ASP 32 20.631 14.105 -6.990 270 H LYS 33 H LYS 33 20.568 12.663 -10.084 271 HA LYS 33 HA LYS 33 22.319 10.618 -8.896 272 HB2 LYS 33 2HB LYS 33 19.503 10.742 -9.223 273 HB3 LYS 33 3HB LYS 33 20.094 9.472 -10.286 274 HG2 LYS 33 2HG LYS 33 21.389 8.637 -8.231 275 HG3 LYS 33 3HG LYS 33 20.302 9.678 -7.308 276 HD2 LYS 33 2HD LYS 33 19.321 7.518 -7.324 277 HD3 LYS 33 3HD LYS 33 18.389 8.501 -8.456 278 HE2 LYS 33 2HE LYS 33 18.768 6.982 -10.030 279 HE3 LYS 33 3HE LYS 33 20.489 7.349 -9.933 280 HZ1 LYS 33 3HZ LYS 33 20.881 5.406 -8.968 281 HZ2 LYS 33 1HZ LYS 33 19.284 4.964 -9.311 282 HZ3 LYS 33 2HZ LYS 33 19.670 5.641 -7.810 283 H GLU 34 H GLU 34 20.931 11.785 -11.923 284 HA GLU 34 HA GLU 34 22.957 10.206 -13.366 285 HB2 GLU 34 2HB GLU 34 20.057 10.629 -13.949 286 HB3 GLU 34 3HB GLU 34 21.172 10.451 -15.296 287 HG2 GLU 34 2HG GLU 34 21.850 8.285 -14.525 288 HG3 GLU 34 3HG GLU 34 20.903 8.468 -13.050 289 H GLY 35 H GLY 35 21.134 13.202 -13.149 290 HA2 GLY 35 2HA GLY 35 21.905 15.335 -13.692 291 HA3 GLY 35 3HA GLY 35 23.296 14.606 -14.480 292 H ILE 36 H ILE 36 20.205 13.365 -15.323 293 HA ILE 36 HA ILE 36 20.458 14.616 -17.963 294 HB ILE 36 HB ILE 36 18.693 12.301 -17.166 295 HG12 ILE 36 2HG1 ILE 36 21.099 11.782 -16.880 296 HG13 ILE 36 3HG1 ILE 36 20.363 10.849 -18.179 297 HG21 ILE 36 1HG2 ILE 36 19.205 12.108 -19.849 298 HG22 ILE 36 2HG2 ILE 36 17.743 12.783 -19.132 299 HG23 ILE 36 3HG2 ILE 36 19.062 13.850 -19.612 300 HD11 ILE 36 3HD1 ILE 36 21.845 13.394 -18.718 301 HD12 ILE 36 1HD1 ILE 36 22.671 11.841 -18.584 302 HD13 ILE 36 2HD1 ILE 36 21.448 12.085 -19.832 303 HA PRO 37 HA PRO 37 17.076 17.225 -16.498 304 HB2 PRO 37 2HB PRO 37 17.311 19.028 -18.514 305 HB3 PRO 37 3HB PRO 37 18.358 19.037 -17.090 306 HG2 PRO 37 2HG PRO 37 18.887 17.937 -19.823 307 HG3 PRO 37 3HG PRO 37 19.959 18.877 -18.769 308 HD2 PRO 37 2HD PRO 37 20.145 16.187 -19.008 309 HD3 PRO 37 3HD PRO 37 20.530 17.040 -17.500 310 HA PRO 38 HA PRO 38 13.964 15.436 -19.112 311 HB2 PRO 38 2HB PRO 38 11.848 16.787 -18.078 312 HB3 PRO 38 3HB PRO 38 12.625 15.436 -17.244 313 HG2 PRO 38 2HG PRO 38 12.984 18.379 -16.827 314 HG3 PRO 38 3HG PRO 38 12.832 17.088 -15.621 315 HD2 PRO 38 2HD PRO 38 15.221 18.157 -16.317 316 HD3 PRO 38 3HD PRO 38 15.040 16.459 -15.831 317 H ASP 39 H ASP 39 15.463 17.340 -20.435 318 HA ASP 39 HA ASP 39 13.665 19.409 -21.399 319 HB2 ASP 39 2HB ASP 39 16.557 18.859 -21.553 320 HB3 ASP 39 3HB ASP 39 15.863 19.585 -23.000 321 H GLN 40 H GLN 40 14.857 16.294 -22.356 322 HA GLN 40 HA GLN 40 13.523 16.583 -24.965 323 HB2 GLN 40 2HB GLN 40 15.694 14.657 -24.120 324 HB3 GLN 40 3HB GLN 40 14.919 14.671 -25.698 325 HG2 GLN 40 2HG GLN 40 15.731 17.226 -25.564 326 HG3 GLN 40 3HG GLN 40 16.972 16.457 -24.576 327 HE21 GLN 40 1HE2 GLN 40 18.699 15.867 -25.654 328 HE22 GLN 40 2HE2 GLN 40 18.758 15.389 -27.313 329 H GLN 41 H GLN 41 13.293 15.148 -21.927 330 HA GLN 41 HA GLN 41 11.664 12.916 -22.900 331 HB2 GLN 41 2HB GLN 41 12.811 11.893 -21.259 332 HB3 GLN 41 3HB GLN 41 13.281 13.417 -20.518 333 HG2 GLN 41 2HG GLN 41 11.190 13.554 -19.346 334 HG3 GLN 41 3HG GLN 41 10.585 12.126 -20.184 335 HE21 GLN 41 1HE2 GLN 41 13.455 13.066 -18.313 336 HE22 GLN 41 2HE2 GLN 41 13.494 11.642 -17.336 337 H ARG 42 H ARG 42 9.507 12.725 -22.487 338 HA ARG 42 HA ARG 42 8.217 14.903 -20.988 339 HB2 ARG 42 2HB ARG 42 7.913 14.211 -23.802 340 HB3 ARG 42 3HB ARG 42 6.379 14.194 -22.942 341 HG2 ARG 42 2HG ARG 42 6.349 16.425 -22.680 342 HG3 ARG 42 3HG ARG 42 8.090 16.523 -22.410 343 HD2 ARG 42 2HD ARG 42 7.496 15.715 -25.117 344 HD3 ARG 42 3HD ARG 42 6.695 17.235 -24.718 345 HE ARG 42 HE ARG 42 9.438 17.210 -23.921 346 HH11 ARG 42 1HH1 ARG 42 7.296 17.674 -26.626 347 HH12 ARG 42 2HH1 ARG 42 8.399 18.692 -27.492 348 HH21 ARG 42 1HH2 ARG 42 10.899 18.548 -25.051 349 HH22 ARG 42 2HH2 ARG 42 10.449 19.187 -26.595 350 H LEU 43 H LEU 43 6.734 14.261 -19.548 351 HA LEU 43 HA LEU 43 6.120 11.406 -19.406 352 HB2 LEU 43 2HB LEU 43 5.593 13.582 -17.389 353 HB3 LEU 43 3HB LEU 43 5.401 11.849 -17.133 354 HG LEU 43 HG LEU 43 7.397 12.319 -16.057 355 HD11 LEU 43 1HD1 LEU 43 7.486 10.596 -18.036 356 HD12 LEU 43 2HD1 LEU 43 8.944 11.029 -17.144 357 HD13 LEU 43 3HD1 LEU 43 8.620 11.764 -18.714 358 HD21 LEU 43 3HD2 LEU 43 8.880 13.983 -16.555 359 HD22 LEU 43 1HD2 LEU 43 7.419 14.660 -17.276 360 HD23 LEU 43 2HD2 LEU 43 8.613 13.854 -18.295 361 H ILE 44 H ILE 44 4.127 10.584 -19.688 362 HA ILE 44 HA ILE 44 1.867 12.451 -19.926 363 HB ILE 44 HB ILE 44 2.218 10.096 -21.771 364 HG12 ILE 44 2HG1 ILE 44 2.569 12.266 -23.372 365 HG13 ILE 44 3HG1 ILE 44 3.374 12.810 -21.905 366 HG21 ILE 44 1HG2 ILE 44 0.451 11.097 -23.038 367 HG22 ILE 44 2HG2 ILE 44 -0.067 11.000 -21.355 368 HG23 ILE 44 3HG2 ILE 44 0.474 12.540 -22.024 369 HD11 ILE 44 3HD1 ILE 44 4.276 10.205 -22.321 370 HD12 ILE 44 1HD1 ILE 44 4.276 10.970 -23.910 371 HD13 ILE 44 2HD1 ILE 44 5.166 11.706 -22.577 372 H PHE 45 H PHE 45 -0.103 11.700 -19.220 373 HA PHE 45 HA PHE 45 -0.570 8.956 -18.572 374 HB2 PHE 45 2HB PHE 45 0.882 9.618 -16.676 375 HB3 PHE 45 3HB PHE 45 -0.262 10.892 -16.267 376 HD1 PHE 45 HD1 PHE 45 -2.490 10.323 -15.398 377 HD2 PHE 45 HD2 PHE 45 0.470 7.347 -16.103 378 HE1 PHE 45 HE1 PHE 45 -3.752 8.741 -13.997 379 HE2 PHE 45 HE2 PHE 45 -0.787 5.760 -14.704 380 HZ PHE 45 HZ PHE 45 -2.901 6.457 -13.649 381 H ALA 46 H ALA 46 -2.709 8.540 -18.487 382 HA ALA 46 HA ALA 46 -4.962 8.858 -18.558 383 HB1 ALA 46 1HB ALA 46 -5.389 11.401 -17.460 384 HB2 ALA 46 2HB ALA 46 -5.535 9.840 -16.651 385 HB3 ALA 46 3HB ALA 46 -4.010 10.723 -16.595 386 H GLY 47 H GLY 47 -3.037 10.050 -20.587 387 HA2 GLY 47 2HA GLY 47 -3.442 10.963 -22.682 388 HA3 GLY 47 3HA GLY 47 -5.072 11.363 -22.159 389 H LYS 48 H LYS 48 -3.170 12.521 -19.787 390 HA LYS 48 HA LYS 48 -3.088 15.191 -21.015 391 HB2 LYS 48 2HB LYS 48 -3.636 14.198 -18.273 392 HB3 LYS 48 3HB LYS 48 -2.759 15.718 -18.399 393 HG2 LYS 48 2HG LYS 48 -4.696 16.751 -18.660 394 HG3 LYS 48 3HG LYS 48 -4.893 15.916 -20.202 395 HD2 LYS 48 2HD LYS 48 -5.617 14.005 -18.352 396 HD3 LYS 48 3HD LYS 48 -6.254 15.498 -17.659 397 HE2 LYS 48 2HE LYS 48 -6.888 15.659 -20.358 398 HE3 LYS 48 3HE LYS 48 -7.176 13.970 -19.942 399 HZ1 LYS 48 3HZ LYS 48 -8.889 14.499 -18.599 400 HZ2 LYS 48 1HZ LYS 48 -8.970 15.882 -19.571 401 HZ3 LYS 48 2HZ LYS 48 -8.195 15.948 -18.070 402 H GLN 49 H GLN 49 -1.211 16.260 -21.238 403 HA GLN 49 HA GLN 49 1.245 14.858 -20.767 404 HB2 GLN 49 2HB GLN 49 0.795 17.698 -21.702 405 HB3 GLN 49 3HB GLN 49 2.313 16.814 -21.784 406 HG2 GLN 49 2HG GLN 49 0.215 15.325 -23.062 407 HG3 GLN 49 3HG GLN 49 0.313 16.956 -23.724 408 HE21 GLN 49 1HE2 GLN 49 2.569 14.431 -22.647 409 HE22 GLN 49 2HE2 GLN 49 3.606 14.533 -24.026 410 H LEU 50 H LEU 50 2.423 14.895 -18.979 411 HA LEU 50 HA LEU 50 1.730 16.315 -16.676 412 HB2 LEU 50 2HB LEU 50 3.425 14.274 -17.250 413 HB3 LEU 50 3HB LEU 50 4.564 15.581 -16.932 414 HG LEU 50 HG LEU 50 2.475 14.508 -15.038 415 HD11 LEU 50 1HD1 LEU 50 4.385 13.795 -13.716 416 HD12 LEU 50 2HD1 LEU 50 5.488 14.432 -14.936 417 HD13 LEU 50 3HD1 LEU 50 4.436 13.070 -15.323 418 HD21 LEU 50 3HD2 LEU 50 4.378 16.829 -14.797 419 HD22 LEU 50 1HD2 LEU 50 3.607 16.057 -13.411 420 HD23 LEU 50 2HD2 LEU 50 2.620 16.844 -14.642 421 H GLU 51 H GLU 51 1.742 18.457 -16.490 422 HA GLU 51 HA GLU 51 3.698 20.060 -17.918 423 HB2 GLU 51 2HB GLU 51 1.266 20.688 -17.761 424 HB3 GLU 51 3HB GLU 51 1.518 20.998 -16.050 425 HG2 GLU 51 2HG GLU 51 2.037 23.076 -16.603 426 HG3 GLU 51 3HG GLU 51 3.523 22.440 -17.304 427 H ASP 52 H ASP 52 5.291 21.291 -16.999 428 HA ASP 52 HA ASP 52 6.518 20.385 -14.665 429 HB2 ASP 52 2HB ASP 52 6.931 22.545 -16.585 430 HB3 ASP 52 3HB ASP 52 7.439 22.981 -14.956 431 H GLY 53 H GLY 53 4.031 22.766 -15.138 432 HA2 GLY 53 2HA GLY 53 4.335 23.870 -12.465 433 HA3 GLY 53 3HA GLY 53 3.139 24.345 -13.662 434 H ARG 54 H ARG 54 3.283 21.000 -13.349 435 HA ARG 54 HA ARG 54 0.861 21.035 -11.684 436 HB2 ARG 54 2HB ARG 54 1.480 19.752 -14.133 437 HB3 ARG 54 3HB ARG 54 1.320 18.491 -12.918 438 HG2 ARG 54 2HG ARG 54 -0.863 18.598 -13.334 439 HG3 ARG 54 3HG ARG 54 -0.840 20.095 -12.400 440 HD2 ARG 54 2HD ARG 54 -0.170 20.183 -15.304 441 HD3 ARG 54 3HD ARG 54 -1.858 20.029 -14.819 442 HE ARG 54 HE ARG 54 -0.487 22.152 -13.466 443 HH11 ARG 54 1HH1 ARG 54 -2.188 21.261 -16.370 444 HH12 ARG 54 2HH1 ARG 54 -2.667 22.884 -16.743 445 HH21 ARG 54 1HH2 ARG 54 -1.112 24.292 -13.946 446 HH22 ARG 54 2HH2 ARG 54 -2.054 24.607 -15.364 447 H THR 55 H THR 55 0.566 19.407 -10.079 448 HA THR 55 HA THR 55 3.105 18.333 -9.035 449 HB THR 55 HB THR 55 2.107 18.446 -6.786 450 HG1 THR 55 HG1 THR 55 0.086 19.171 -6.481 451 HG21 THR 55 3HG2 THR 55 2.552 20.687 -6.448 452 HG22 THR 55 1HG2 THR 55 1.747 21.182 -7.936 453 HG23 THR 55 2HG2 THR 55 3.333 20.413 -8.005 454 H LEU 56 H LEU 56 2.887 16.352 -7.714 455 HA LEU 56 HA LEU 56 1.688 14.278 -9.117 456 HB2 LEU 56 2HB LEU 56 3.348 14.527 -6.905 457 HB3 LEU 56 3HB LEU 56 1.927 13.686 -6.290 458 HG LEU 56 HG LEU 56 2.569 12.360 -8.655 459 HD11 LEU 56 1HD1 LEU 56 4.823 13.736 -8.075 460 HD12 LEU 56 2HD1 LEU 56 4.794 12.175 -8.893 461 HD13 LEU 56 3HD1 LEU 56 5.094 12.255 -7.157 462 HD21 LEU 56 3HD2 LEU 56 3.146 11.704 -5.770 463 HD22 LEU 56 1HD2 LEU 56 3.246 10.547 -7.098 464 HD23 LEU 56 2HD2 LEU 56 1.699 11.290 -6.690 465 H SER 57 H SER 57 0.620 15.690 -6.020 466 HA SER 57 HA SER 57 -1.740 14.235 -5.762 467 HB2 SER 57 2HB SER 57 -2.405 15.840 -4.123 468 HB3 SER 57 3HB SER 57 -0.648 15.725 -4.021 469 HG SER 57 HG SER 57 -2.247 17.800 -5.018 470 H ASP 58 H ASP 58 -1.041 17.135 -7.602 471 HA ASP 58 HA ASP 58 -3.714 17.854 -8.187 472 HB2 ASP 58 2HB ASP 58 -1.737 19.358 -8.455 473 HB3 ASP 58 3HB ASP 58 -1.251 18.404 -9.854 474 H TYR 59 H TYR 59 -1.486 15.570 -9.600 475 HA TYR 59 HA TYR 59 -3.056 15.154 -11.978 476 HB2 TYR 59 2HB TYR 59 -0.444 14.449 -11.068 477 HB3 TYR 59 3HB TYR 59 -1.284 12.972 -11.528 478 HD1 TYR 59 HD2 TYR 59 -1.520 16.393 -12.988 479 HD2 TYR 59 HD1 TYR 59 -0.349 12.343 -13.564 480 HE1 TYR 59 HE2 TYR 59 -1.055 16.870 -15.356 481 HE2 TYR 59 HE1 TYR 59 0.121 12.809 -15.933 482 HH TYR 59 HH TYR 59 -0.613 15.949 -17.368 483 H ASN 60 H ASN 60 -3.205 14.092 -8.768 484 HA ASN 60 HA ASN 60 -4.545 12.608 -7.683 485 HB2 ASN 60 2HB ASN 60 -6.048 13.477 -9.828 486 HB3 ASN 60 3HB ASN 60 -6.115 11.725 -9.992 487 HD21 ASN 60 1HD2 ASN 60 -8.349 13.258 -9.443 488 HD22 ASN 60 2HD2 ASN 60 -8.903 12.894 -7.848 489 H ILE 61 H ILE 61 -2.093 11.729 -8.909 490 HA ILE 61 HA ILE 61 -2.489 9.162 -10.101 491 HB ILE 61 HB ILE 61 -0.079 10.582 -9.007 492 HG12 ILE 61 2HG1 ILE 61 -1.162 11.038 -11.308 493 HG13 ILE 61 3HG1 ILE 61 0.579 10.781 -11.249 494 HG21 ILE 61 1HG2 ILE 61 0.545 8.442 -8.424 495 HG22 ILE 61 2HG2 ILE 61 -0.362 7.704 -9.743 496 HG23 ILE 61 3HG2 ILE 61 1.151 8.546 -10.076 497 HD11 ILE 61 3HD1 ILE 61 -1.332 8.550 -11.842 498 HD12 ILE 61 1HD1 ILE 61 -0.720 9.625 -13.099 499 HD13 ILE 61 2HD1 ILE 61 0.400 8.636 -12.162 500 H GLN 62 H GLN 62 -3.538 7.687 -8.888 501 HA GLN 62 HA GLN 62 -3.104 7.425 -6.062 502 HB2 GLN 62 2HB GLN 62 -4.669 5.564 -6.192 503 HB3 GLN 62 3HB GLN 62 -5.292 6.948 -7.080 504 HG2 GLN 62 2HG GLN 62 -5.139 5.912 -9.087 505 HG3 GLN 62 3HG GLN 62 -3.732 4.960 -8.614 506 HE21 GLN 62 1HE2 GLN 62 -7.003 5.297 -7.283 507 HE22 GLN 62 2HE2 GLN 62 -7.378 3.611 -7.323 508 H LYS 63 H LYS 63 -2.890 4.913 -5.378 509 HA LYS 63 HA LYS 63 -0.178 4.249 -5.991 510 HB2 LYS 63 2HB LYS 63 -0.439 2.457 -4.399 511 HB3 LYS 63 3HB LYS 63 -1.214 3.900 -3.757 512 HG2 LYS 63 2HG LYS 63 -3.380 3.055 -4.251 513 HG3 LYS 63 3HG LYS 63 -2.709 1.712 -5.179 514 HD2 LYS 63 2HD LYS 63 -1.656 0.857 -3.113 515 HD3 LYS 63 3HD LYS 63 -2.422 2.164 -2.208 516 HE2 LYS 63 2HE LYS 63 -4.346 1.050 -2.086 517 HE3 LYS 63 3HE LYS 63 -4.350 0.747 -3.823 518 HZ1 LYS 63 3HZ LYS 63 -3.507 -0.971 -1.649 519 HZ2 LYS 63 1HZ LYS 63 -2.488 -0.977 -2.999 520 HZ3 LYS 63 2HZ LYS 63 -4.123 -1.373 -3.172 521 H GLU 64 H GLU 64 0.636 2.511 -7.126 522 HA GLU 64 HA GLU 64 0.690 0.734 -8.569 523 HB2 GLU 64 2HB GLU 64 -1.456 0.086 -7.166 524 HB3 GLU 64 3HB GLU 64 -2.287 0.515 -8.655 525 HG2 GLU 64 2HG GLU 64 -1.948 -1.782 -8.811 526 HG3 GLU 64 3HG GLU 64 -0.684 -1.080 -9.819 527 H SER 65 H SER 65 0.363 3.551 -9.303 528 HA SER 65 HA SER 65 -1.214 3.495 -11.743 529 HB2 SER 65 2HB SER 65 -1.227 5.753 -11.604 530 HB3 SER 65 3HB SER 65 -0.628 5.497 -9.966 531 HG SER 65 HG SER 65 1.317 6.127 -10.559 532 H THR 66 H THR 66 -0.407 3.599 -13.810 533 HA THR 66 HA THR 66 2.506 3.248 -14.095 534 HB THR 66 HB THR 66 1.647 1.113 -14.581 535 HG1 THR 66 HG1 THR 66 1.548 2.060 -17.208 536 HG21 THR 66 3HG2 THR 66 -0.639 1.222 -14.732 537 HG22 THR 66 1HG2 THR 66 -0.234 1.020 -16.436 538 HG23 THR 66 2HG2 THR 66 -0.611 2.622 -15.803 539 H LEU 67 H LEU 67 3.412 4.832 -15.217 540 HA LEU 67 HA LEU 67 1.770 6.296 -17.174 541 HB2 LEU 67 2HB LEU 67 3.246 8.186 -16.829 542 HB3 LEU 67 3HB LEU 67 2.546 7.653 -15.302 543 HG LEU 67 HG LEU 67 5.221 6.580 -15.977 544 HD11 LEU 67 1HD1 LEU 67 5.372 9.200 -14.704 545 HD12 LEU 67 2HD1 LEU 67 4.849 9.262 -16.387 546 HD13 LEU 67 3HD1 LEU 67 6.377 8.489 -15.967 547 HD21 LEU 67 3HD2 LEU 67 5.182 6.104 -13.810 548 HD22 LEU 67 1HD2 LEU 67 3.536 6.735 -13.743 549 HD23 LEU 67 2HD2 LEU 67 4.901 7.796 -13.395 550 H HIS 68 H HIS 68 2.813 7.032 -19.123 551 HA HIS 68 HA HIS 68 4.855 5.135 -20.039 552 HB2 HIS 68 2HB HIS 68 2.544 5.571 -21.213 553 HB3 HIS 68 3HB HIS 68 3.376 6.970 -21.886 554 HD1 HIS 68 HD1 HIS 68 4.327 3.297 -21.484 555 HD2 HIS 68 HD2 HIS 68 4.308 6.327 -24.327 556 HE1 HIS 68 HE1 HIS 68 5.297 2.272 -23.566 557 H LEU 69 H LEU 69 6.759 5.799 -20.982 558 HA LEU 69 HA LEU 69 7.358 8.678 -20.789 559 HB2 LEU 69 2HB LEU 69 9.423 6.525 -20.492 560 HB3 LEU 69 3HB LEU 69 9.521 8.220 -20.019 561 HG LEU 69 HG LEU 69 7.416 6.866 -18.578 562 HD11 LEU 69 1HD1 LEU 69 9.968 5.820 -17.609 563 HD12 LEU 69 2HD1 LEU 69 9.438 5.124 -19.140 564 HD13 LEU 69 3HD1 LEU 69 8.389 5.042 -17.725 565 HD21 LEU 69 3HD2 LEU 69 9.094 8.981 -18.208 566 HD22 LEU 69 1HD2 LEU 69 9.810 7.764 -17.151 567 HD23 LEU 69 2HD2 LEU 69 8.121 8.228 -16.943 568 H VAL 70 H VAL 70 8.289 9.644 -22.510 569 HA VAL 70 HA VAL 70 8.634 8.014 -24.917 570 HB VAL 70 HB VAL 70 8.672 11.023 -24.782 571 HG11 VAL 70 1HG1 VAL 70 7.592 10.332 -27.168 572 HG12 VAL 70 2HG1 VAL 70 9.309 10.643 -26.906 573 HG13 VAL 70 3HG1 VAL 70 8.701 8.987 -26.901 574 HG21 VAL 70 3HG2 VAL 70 6.377 9.136 -24.690 575 HG22 VAL 70 1HG2 VAL 70 6.569 10.721 -23.942 576 HG23 VAL 70 2HG2 VAL 70 6.215 10.596 -25.665 577 H LEU 71 H LEU 71 10.471 8.290 -26.286 578 HA LEU 71 HA LEU 71 12.875 9.173 -24.831 579 HB2 LEU 71 2HB LEU 71 12.284 6.683 -25.910 580 HB3 LEU 71 3HB LEU 71 13.378 7.417 -27.080 581 HG LEU 71 HG LEU 71 14.976 7.817 -25.178 582 HD11 LEU 71 1HD1 LEU 71 14.500 6.073 -23.280 583 HD12 LEU 71 2HD1 LEU 71 12.821 6.344 -23.745 584 HD13 LEU 71 3HD1 LEU 71 13.815 7.697 -23.207 585 HD21 LEU 71 3HD2 LEU 71 14.252 4.938 -25.705 586 HD22 LEU 71 1HD2 LEU 71 15.822 5.558 -25.193 587 HD23 LEU 71 2HD2 LEU 71 15.195 5.959 -26.792 588 H ARG 72 H ARG 72 14.549 10.193 -26.030 589 HA ARG 72 HA ARG 72 13.536 11.642 -28.370 590 HB2 ARG 72 2HB ARG 72 14.970 13.393 -27.831 591 HB3 ARG 72 3HB ARG 72 14.484 12.793 -26.251 592 HG2 ARG 72 2HG ARG 72 17.042 12.039 -27.646 593 HG3 ARG 72 3HG ARG 72 16.896 13.304 -26.424 594 HD2 ARG 72 2HD ARG 72 15.758 11.310 -25.077 595 HD3 ARG 72 3HD ARG 72 16.792 10.354 -26.138 596 HE ARG 72 HE ARG 72 18.483 12.218 -25.155 597 HH11 ARG 72 1HH1 ARG 72 16.244 10.008 -23.665 598 HH12 ARG 72 2HH1 ARG 72 17.171 9.843 -22.212 599 HH21 ARG 72 1HH2 ARG 72 19.714 12.009 -23.246 600 HH22 ARG 72 2HH2 ARG 72 19.145 10.982 -21.974 601 H LEU 73 H LEU 73 14.209 11.070 -30.321 602 HA LEU 73 HA LEU 73 16.512 9.308 -30.591 603 HB2 LEU 73 2HB LEU 73 14.226 8.999 -31.728 604 HB3 LEU 73 3HB LEU 73 14.763 10.264 -32.832 605 HG LEU 73 HG LEU 73 16.831 8.679 -33.148 606 HD11 LEU 73 1HD1 LEU 73 16.394 7.018 -31.541 607 HD12 LEU 73 2HD1 LEU 73 15.997 6.285 -33.095 608 HD13 LEU 73 3HD1 LEU 73 14.709 6.864 -32.038 609 HD21 LEU 73 3HD2 LEU 73 15.060 9.372 -34.812 610 HD22 LEU 73 1HD2 LEU 73 14.202 7.892 -34.381 611 HD23 LEU 73 2HD2 LEU 73 15.813 7.801 -35.094 612 H ARG 74 H ARG 74 18.348 9.779 -31.748 613 HA ARG 74 HA ARG 74 18.710 12.615 -32.449 614 HB2 ARG 74 2HB ARG 74 20.209 10.977 -30.763 615 HB3 ARG 74 3HB ARG 74 21.164 11.078 -32.236 616 HG2 ARG 74 2HG ARG 74 20.111 13.450 -30.711 617 HG3 ARG 74 3HG ARG 74 21.745 12.799 -30.568 618 HD2 ARG 74 2HD ARG 74 20.599 13.644 -33.211 619 HD3 ARG 74 3HD ARG 74 21.386 14.794 -32.131 620 HE ARG 74 HE ARG 74 23.107 12.629 -32.459 621 HH11 ARG 74 1HH1 ARG 74 21.707 15.177 -34.375 622 HH12 ARG 74 2HH1 ARG 74 23.039 15.253 -35.481 623 HH21 ARG 74 1HH2 ARG 74 24.865 12.720 -33.909 624 HH22 ARG 74 2HH2 ARG 74 24.834 13.855 -35.216 625 H GLY 75 H GLY 75 18.548 12.943 -34.569 626 HA2 GLY 75 2HA GLY 75 19.807 12.711 -36.671 627 HA3 GLY 75 3HA GLY 75 19.832 10.980 -36.367 628 H GLY 76 H GLY 76 18.298 13.442 -38.021 629 HA2 GLY 76 2HA GLY 76 16.429 11.681 -39.226 630 HA3 GLY 76 3HA GLY 76 15.616 12.723 -38.068 Start of MODEL 14 1 H1 GLY 0 H GLY 0 7.085 2.954 0.487 2 HA2 GLY 0 2HA GLY 0 4.887 4.388 1.785 3 HA3 GLY 0 3HA GLY 0 5.941 5.308 0.721 4 H MET 1 H MET 1 4.753 5.733 -1.034 5 HA MET 1 HA MET 1 2.969 3.715 -2.126 6 HB2 MET 1 2HB MET 1 3.513 6.455 -3.260 7 HB3 MET 1 3HB MET 1 2.106 5.435 -3.527 8 HG2 MET 1 2HG MET 1 1.854 5.690 -0.918 9 HG3 MET 1 3HG MET 1 2.798 7.149 -1.206 10 HE1 MET 1 3HE MET 1 1.605 8.242 -4.139 11 HE2 MET 1 1HE MET 1 0.610 9.410 -3.269 12 HE3 MET 1 2HE MET 1 2.216 9.001 -2.668 13 H GLN 2 H GLN 2 3.600 2.309 -3.613 14 HA GLN 2 HA GLN 2 6.091 2.766 -5.058 15 HB2 GLN 2 2HB GLN 2 5.920 0.409 -5.701 16 HB3 GLN 2 3HB GLN 2 5.785 0.603 -3.958 17 HG2 GLN 2 2HG GLN 2 3.168 0.720 -4.955 18 HG3 GLN 2 3HG GLN 2 3.961 -0.610 -5.799 19 HE21 GLN 2 1HE2 GLN 2 2.821 0.587 -2.764 20 HE22 GLN 2 2HE2 GLN 2 3.026 -0.877 -1.870 21 H ILE 3 H ILE 3 6.210 3.252 -7.161 22 HA ILE 3 HA ILE 3 3.756 3.043 -8.778 23 HB ILE 3 HB ILE 3 4.351 5.410 -8.067 24 HG12 ILE 3 2HG1 ILE 3 3.242 4.419 -10.376 25 HG13 ILE 3 3HG1 ILE 3 3.241 6.113 -9.899 26 HG21 ILE 3 1HG2 ILE 3 6.132 6.503 -9.397 27 HG22 ILE 3 2HG2 ILE 3 6.746 5.300 -8.265 28 HG23 ILE 3 3HG2 ILE 3 6.625 4.914 -9.981 29 HD11 ILE 3 3HD1 ILE 3 5.402 4.865 -11.571 30 HD12 ILE 3 1HD1 ILE 3 3.977 5.656 -12.242 31 HD13 ILE 3 2HD1 ILE 3 5.121 6.579 -11.267 32 H PHE 4 H PHE 4 4.104 2.863 -11.084 33 HA PHE 4 HA PHE 4 6.759 1.794 -11.781 34 HB2 PHE 4 2HB PHE 4 4.217 0.452 -11.806 35 HB3 PHE 4 3HB PHE 4 4.840 0.562 -13.449 36 HD1 PHE 4 HD1 PHE 4 7.401 -0.065 -13.678 37 HD2 PHE 4 HD2 PHE 4 4.841 -1.346 -10.528 38 HE1 PHE 4 HE1 PHE 4 8.899 -1.966 -13.239 39 HE2 PHE 4 HE2 PHE 4 6.336 -3.248 -10.083 40 HZ PHE 4 HZ PHE 4 8.368 -3.560 -11.438 41 H VAL 5 H VAL 5 7.618 2.428 -13.695 42 HA VAL 5 HA VAL 5 5.987 4.247 -15.346 43 HB VAL 5 HB VAL 5 8.985 4.339 -14.999 44 HG11 VAL 5 1HG1 VAL 5 8.697 5.376 -17.002 45 HG12 VAL 5 2HG1 VAL 5 7.027 5.827 -16.655 46 HG13 VAL 5 3HG1 VAL 5 8.356 6.744 -15.944 47 HG21 VAL 5 3HG2 VAL 5 8.232 6.606 -13.870 48 HG22 VAL 5 1HG2 VAL 5 6.768 5.679 -13.538 49 HG23 VAL 5 2HG2 VAL 5 8.328 5.107 -12.947 50 H LYS 6 H LYS 6 5.768 3.780 -17.444 51 HA LYS 6 HA LYS 6 7.316 1.522 -18.513 52 HB2 LYS 6 2HB LYS 6 4.749 1.484 -18.413 53 HB3 LYS 6 3HB LYS 6 4.803 2.656 -19.723 54 HG2 LYS 6 2HG LYS 6 6.171 1.004 -21.019 55 HG3 LYS 6 3HG LYS 6 5.829 -0.170 -19.746 56 HD2 LYS 6 2HD LYS 6 4.249 -0.496 -21.522 57 HD3 LYS 6 3HD LYS 6 3.398 0.205 -20.143 58 HE2 LYS 6 2HE LYS 6 2.950 2.128 -21.234 59 HE3 LYS 6 3HE LYS 6 4.506 2.142 -22.063 60 HZ1 LYS 6 3HZ LYS 6 2.042 0.692 -22.819 61 HZ2 LYS 6 1HZ LYS 6 3.553 0.263 -23.448 62 HZ3 LYS 6 2HZ LYS 6 2.927 1.808 -23.731 63 H THR 7 H THR 7 8.418 1.676 -20.431 64 HA THR 7 HA THR 7 8.645 4.385 -21.570 65 HB THR 7 HB THR 7 10.711 3.654 -20.453 66 HG1 THR 7 HG1 THR 7 11.299 3.508 -23.201 67 HG21 THR 7 3HG2 THR 7 11.318 1.512 -20.551 68 HG22 THR 7 1HG2 THR 7 11.732 1.748 -22.248 69 HG23 THR 7 2HG2 THR 7 10.120 1.186 -21.803 70 H LEU 8 H LEU 8 9.633 4.249 -23.884 71 HA LEU 8 HA LEU 8 7.786 2.684 -25.454 72 HB2 LEU 8 2HB LEU 8 9.949 4.638 -26.216 73 HB3 LEU 8 3HB LEU 8 8.891 3.838 -27.377 74 HG LEU 8 HG LEU 8 7.598 5.645 -27.197 75 HD11 LEU 8 1HD1 LEU 8 5.983 5.644 -25.425 76 HD12 LEU 8 2HD1 LEU 8 7.046 4.688 -24.394 77 HD13 LEU 8 3HD1 LEU 8 6.352 3.972 -25.849 78 HD21 LEU 8 3HD2 LEU 8 9.099 7.149 -26.309 79 HD22 LEU 8 1HD2 LEU 8 9.300 6.233 -24.815 80 HD23 LEU 8 2HD2 LEU 8 7.826 7.163 -25.088 81 H THR 9 H THR 9 10.556 1.872 -23.999 82 HA THR 9 HA THR 9 11.564 0.236 -26.224 83 HB THR 9 HB THR 9 13.034 0.352 -23.639 84 HG1 THR 9 HG1 THR 9 13.711 2.389 -23.930 85 HG21 THR 9 3HG2 THR 9 14.967 0.417 -25.208 86 HG22 THR 9 1HG2 THR 9 13.828 0.361 -26.552 87 HG23 THR 9 2HG2 THR 9 13.931 -0.993 -25.426 88 H GLY 10 H GLY 10 9.170 -0.258 -24.424 89 HA2 GLY 10 2HA GLY 10 8.154 -2.091 -23.489 90 HA3 GLY 10 3HA GLY 10 9.426 -3.051 -24.228 91 H LYS 11 H LYS 11 10.571 -0.614 -22.157 92 HA LYS 11 HA LYS 11 11.200 -2.639 -20.130 93 HB2 LYS 11 2HB LYS 11 12.767 -0.701 -21.389 94 HB3 LYS 11 3HB LYS 11 12.506 -0.072 -19.768 95 HG2 LYS 11 2HG LYS 11 13.398 -2.100 -18.799 96 HG3 LYS 11 3HG LYS 11 13.578 -2.814 -20.404 97 HD2 LYS 11 2HD LYS 11 15.230 -1.178 -21.008 98 HD3 LYS 11 3HD LYS 11 14.957 -0.284 -19.510 99 HE2 LYS 11 2HE LYS 11 15.672 -2.383 -18.289 100 HE3 LYS 11 3HE LYS 11 16.203 -3.002 -19.852 101 HZ1 LYS 11 3HZ LYS 11 17.238 -0.655 -18.375 102 HZ2 LYS 11 1HZ LYS 11 17.567 -0.904 -20.016 103 HZ3 LYS 11 2HZ LYS 11 18.083 -2.035 -18.870 104 H THR 12 H THR 12 10.755 -2.338 -17.966 105 HA THR 12 HA THR 12 9.026 -0.043 -17.307 106 HB THR 12 HB THR 12 8.359 -2.076 -15.512 107 HG1 THR 12 HG1 THR 12 8.326 -3.099 -18.171 108 HG21 THR 12 3HG2 THR 12 7.110 -0.514 -17.626 109 HG22 THR 12 1HG2 THR 12 6.474 -0.997 -16.055 110 HG23 THR 12 2HG2 THR 12 6.366 -2.101 -17.426 111 H ILE 13 H ILE 13 9.592 1.122 -15.575 112 HA ILE 13 HA ILE 13 11.665 0.019 -13.792 113 HB ILE 13 HB ILE 13 11.243 2.905 -14.578 114 HG12 ILE 13 2HG1 ILE 13 13.765 1.398 -15.096 115 HG13 ILE 13 3HG1 ILE 13 12.387 1.086 -16.145 116 HG21 ILE 13 1HG2 ILE 13 13.576 2.989 -13.358 117 HG22 ILE 13 2HG2 ILE 13 12.067 3.127 -12.457 118 HG23 ILE 13 3HG2 ILE 13 12.925 1.587 -12.509 119 HD11 ILE 13 3HD1 ILE 13 14.251 3.078 -16.452 120 HD12 ILE 13 1HD1 ILE 13 12.678 2.993 -17.244 121 HD13 ILE 13 2HD1 ILE 13 12.867 3.919 -15.755 122 H THR 14 H THR 14 11.468 0.336 -11.596 123 HA THR 14 HA THR 14 8.849 1.344 -10.698 124 HB THR 14 HB THR 14 10.329 -0.287 -8.770 125 HG1 THR 14 HG1 THR 14 10.162 -1.146 -11.342 126 HG21 THR 14 3HG2 THR 14 7.554 -0.079 -9.861 127 HG22 THR 14 1HG2 THR 14 8.120 0.083 -8.199 128 HG23 THR 14 2HG2 THR 14 8.024 -1.511 -8.947 129 H LEU 15 H LEU 15 8.739 2.872 -9.129 130 HA LEU 15 HA LEU 15 11.157 3.622 -7.677 131 HB2 LEU 15 2HB LEU 15 10.226 5.045 -9.928 132 HB3 LEU 15 3HB LEU 15 9.832 6.017 -8.512 133 HG LEU 15 HG LEU 15 12.427 5.369 -8.009 134 HD11 LEU 15 1HD1 LEU 15 12.424 6.007 -10.933 135 HD12 LEU 15 2HD1 LEU 15 12.396 4.336 -10.372 136 HD13 LEU 15 3HD1 LEU 15 13.734 5.393 -9.925 137 HD21 LEU 15 3HD2 LEU 15 11.282 7.587 -7.916 138 HD22 LEU 15 1HD2 LEU 15 11.544 7.734 -9.654 139 HD23 LEU 15 2HD2 LEU 15 12.924 7.641 -8.559 140 H GLU 16 H GLU 16 10.569 5.515 -6.116 141 HA GLU 16 HA GLU 16 7.850 5.103 -5.070 142 HB2 GLU 16 2HB GLU 16 8.962 5.364 -2.758 143 HB3 GLU 16 3HB GLU 16 9.099 3.815 -3.578 144 HG2 GLU 16 2HG GLU 16 11.332 4.056 -3.968 145 HG3 GLU 16 3HG GLU 16 11.250 5.816 -3.999 146 H VAL 17 H VAL 17 6.818 6.888 -4.308 147 HA VAL 17 HA VAL 17 8.292 9.358 -3.877 148 HB VAL 17 HB VAL 17 7.472 9.058 -6.378 149 HG11 VAL 17 1HG1 VAL 17 5.295 9.788 -6.836 150 HG12 VAL 17 2HG1 VAL 17 5.103 8.657 -5.495 151 HG13 VAL 17 3HG1 VAL 17 5.058 10.395 -5.198 152 HG21 VAL 17 3HG2 VAL 17 8.348 11.134 -4.873 153 HG22 VAL 17 1HG2 VAL 17 7.957 11.246 -6.589 154 HG23 VAL 17 2HG2 VAL 17 6.769 11.733 -5.380 155 H GLU 18 H GLU 18 6.551 11.175 -3.402 156 HA GLU 18 HA GLU 18 4.475 9.984 -1.684 157 HB2 GLU 18 2HB GLU 18 6.626 11.853 -1.036 158 HB3 GLU 18 3HB GLU 18 5.043 12.434 -0.541 159 HG2 GLU 18 2HG GLU 18 5.009 11.063 1.193 160 HG3 GLU 18 3HG GLU 18 5.350 9.670 0.168 161 HA PRO 19 HA PRO 19 1.476 12.610 -3.510 162 HB2 PRO 19 2HB PRO 19 0.014 13.465 -1.388 163 HB3 PRO 19 3HB PRO 19 -0.047 11.805 -1.990 164 HG2 PRO 19 2HG PRO 19 1.480 12.922 0.330 165 HG3 PRO 19 3HG PRO 19 0.558 11.411 0.221 166 HD2 PRO 19 2HD PRO 19 3.256 11.490 0.007 167 HD3 PRO 19 3HD PRO 19 2.264 10.301 -0.861 168 H SER 20 H SER 20 3.282 14.002 -0.829 169 HA SER 20 HA SER 20 2.551 16.712 -1.491 170 HB2 SER 20 2HB SER 20 3.415 15.536 0.806 171 HB3 SER 20 3HB SER 20 4.911 16.271 0.229 172 HG SER 20 HG SER 20 4.145 18.158 0.731 173 H ASP 21 H ASP 21 4.464 14.568 -3.003 174 HA ASP 21 HA ASP 21 6.756 16.235 -3.535 175 HB2 ASP 21 2HB ASP 21 6.233 13.518 -3.732 176 HB3 ASP 21 3HB ASP 21 6.317 14.045 -5.411 177 H THR 22 H THR 22 7.065 17.587 -5.204 178 HA THR 22 HA THR 22 4.834 17.933 -7.084 179 HB THR 22 HB THR 22 5.421 19.918 -5.756 180 HG1 THR 22 HG1 THR 22 6.319 20.590 -8.319 181 HG21 THR 22 3HG2 THR 22 7.956 19.171 -5.827 182 HG22 THR 22 1HG2 THR 22 7.507 20.868 -5.667 183 HG23 THR 22 2HG2 THR 22 7.985 20.227 -7.239 184 H ILE 23 H ILE 23 5.318 18.436 -9.317 185 HA ILE 23 HA ILE 23 6.924 16.615 -10.599 186 HB ILE 23 HB ILE 23 5.192 17.919 -11.746 187 HG12 ILE 23 2HG1 ILE 23 6.561 18.462 -13.829 188 HG13 ILE 23 3HG1 ILE 23 7.983 18.024 -12.889 189 HG21 ILE 23 1HG2 ILE 23 6.972 20.234 -12.178 190 HG22 ILE 23 2HG2 ILE 23 5.218 20.162 -12.025 191 HG23 ILE 23 3HG2 ILE 23 6.231 20.098 -10.583 192 HD11 ILE 23 3HD1 ILE 23 5.937 15.993 -12.732 193 HD12 ILE 23 1HD1 ILE 23 6.405 16.331 -14.398 194 HD13 ILE 23 2HD1 ILE 23 7.627 15.862 -13.215 195 H GLU 24 H GLU 24 7.774 19.817 -9.422 196 HA GLU 24 HA GLU 24 10.275 20.044 -10.699 197 HB2 GLU 24 2HB GLU 24 9.001 21.898 -9.568 198 HB3 GLU 24 3HB GLU 24 9.513 21.225 -8.027 199 HG2 GLU 24 2HG GLU 24 11.180 22.709 -8.247 200 HG3 GLU 24 3HG GLU 24 11.896 21.440 -9.239 201 H ASN 25 H ASN 25 9.388 18.856 -7.469 202 HA ASN 25 HA ASN 25 12.025 18.238 -6.659 203 HB2 ASN 25 2HB ASN 25 9.291 17.691 -5.670 204 HB3 ASN 25 3HB ASN 25 10.530 16.548 -5.159 205 HD21 ASN 25 1HD2 ASN 25 9.965 20.036 -5.434 206 HD22 ASN 25 2HD2 ASN 25 10.768 20.454 -3.963 207 H VAL 26 H VAL 26 9.720 16.593 -8.643 208 HA VAL 26 HA VAL 26 10.885 13.985 -8.398 209 HB VAL 26 HB VAL 26 9.022 15.076 -10.512 210 HG11 VAL 26 1HG1 VAL 26 10.157 13.142 -11.363 211 HG12 VAL 26 2HG1 VAL 26 9.866 12.255 -9.865 212 HG13 VAL 26 3HG1 VAL 26 8.515 12.674 -10.920 213 HG21 VAL 26 3HG2 VAL 26 7.988 13.170 -8.551 214 HG22 VAL 26 1HG2 VAL 26 8.489 14.711 -7.855 215 HG23 VAL 26 2HG2 VAL 26 7.289 14.675 -9.147 216 H LYS 27 H LYS 27 10.870 16.444 -10.978 217 HA LYS 27 HA LYS 27 12.725 15.055 -12.621 218 HB2 LYS 27 2HB LYS 27 12.849 17.165 -13.892 219 HB3 LYS 27 3HB LYS 27 11.188 16.683 -13.570 220 HG2 LYS 27 2HG LYS 27 11.420 18.261 -11.512 221 HG3 LYS 27 3HG LYS 27 12.756 18.951 -12.436 222 HD2 LYS 27 2HD LYS 27 10.501 18.595 -14.159 223 HD3 LYS 27 3HD LYS 27 9.994 19.468 -12.711 224 HE2 LYS 27 2HE LYS 27 11.431 21.235 -13.119 225 HE3 LYS 27 3HE LYS 27 12.499 20.267 -14.133 226 HZ1 LYS 27 3HZ LYS 27 9.871 21.430 -14.826 227 HZ2 LYS 27 1HZ LYS 27 10.545 20.167 -15.729 228 HZ3 LYS 27 2HZ LYS 27 11.357 21.645 -15.605 229 H ALA 28 H ALA 28 13.031 17.550 -10.158 230 HA ALA 28 HA ALA 28 15.689 18.291 -10.598 231 HB1 ALA 28 1HB ALA 28 14.366 19.615 -9.142 232 HB2 ALA 28 2HB ALA 28 14.039 18.244 -8.081 233 HB3 ALA 28 3HB ALA 28 15.663 18.928 -8.163 234 H LYS 29 H LYS 29 14.314 15.581 -8.820 235 HA LYS 29 HA LYS 29 16.711 14.728 -7.582 236 HB2 LYS 29 2HB LYS 29 14.038 13.516 -8.110 237 HB3 LYS 29 3HB LYS 29 15.356 12.446 -7.652 238 HG2 LYS 29 2HG LYS 29 15.577 14.425 -5.792 239 HG3 LYS 29 3HG LYS 29 13.831 14.350 -6.044 240 HD2 LYS 29 2HD LYS 29 13.829 12.627 -4.626 241 HD3 LYS 29 3HD LYS 29 14.598 11.693 -5.911 242 HE2 LYS 29 2HE LYS 29 15.964 11.404 -4.014 243 HE3 LYS 29 3HE LYS 29 16.808 12.571 -5.031 244 HZ1 LYS 29 3HZ LYS 29 16.666 14.116 -3.458 245 HZ2 LYS 29 1HZ LYS 29 16.189 12.888 -2.396 246 HZ3 LYS 29 2HZ LYS 29 15.022 13.826 -3.183 247 H ILE 30 H ILE 30 15.270 14.113 -10.717 248 HA ILE 30 HA ILE 30 16.909 11.928 -11.454 249 HB ILE 30 HB ILE 30 15.584 13.942 -13.273 250 HG12 ILE 30 2HG1 ILE 30 14.534 11.271 -12.320 251 HG13 ILE 30 3HG1 ILE 30 14.038 12.822 -11.652 252 HG21 ILE 30 1HG2 ILE 30 17.203 12.685 -14.490 253 HG22 ILE 30 2HG2 ILE 30 16.670 11.175 -13.752 254 HG23 ILE 30 3HG2 ILE 30 15.616 12.024 -14.882 255 HD11 ILE 30 3HD1 ILE 30 12.376 12.629 -13.139 256 HD12 ILE 30 1HD1 ILE 30 13.577 13.248 -14.272 257 HD13 ILE 30 2HD1 ILE 30 13.278 11.513 -14.163 258 H GLN 31 H GLN 31 17.261 15.419 -11.773 259 HA GLN 31 HA GLN 31 19.537 15.371 -13.455 260 HB2 GLN 31 2HB GLN 31 18.210 17.379 -13.272 261 HB3 GLN 31 3HB GLN 31 18.518 17.476 -11.543 262 HG2 GLN 31 2HG GLN 31 20.953 17.743 -12.101 263 HG3 GLN 31 3HG GLN 31 20.467 17.910 -13.787 264 HE21 GLN 31 1HE2 GLN 31 21.744 19.976 -13.090 265 HE22 GLN 31 2HE2 GLN 31 20.748 21.316 -12.644 266 H ASP 32 H ASP 32 19.096 15.114 -10.005 267 HA ASP 32 HA ASP 32 21.866 15.534 -9.364 268 HB2 ASP 32 2HB ASP 32 19.389 15.209 -7.918 269 HB3 ASP 32 3HB ASP 32 20.636 14.168 -7.236 270 H LYS 33 H LYS 33 20.154 12.994 -10.705 271 HA LYS 33 HA LYS 33 22.051 10.990 -9.684 272 HB2 LYS 33 2HB LYS 33 19.219 10.919 -10.270 273 HB3 LYS 33 3HB LYS 33 20.074 9.684 -11.184 274 HG2 LYS 33 2HG LYS 33 21.170 9.089 -8.928 275 HG3 LYS 33 3HG LYS 33 19.843 10.014 -8.221 276 HD2 LYS 33 2HD LYS 33 18.810 8.237 -10.214 277 HD3 LYS 33 3HD LYS 33 19.823 7.330 -9.088 278 HE2 LYS 33 2HE LYS 33 18.396 8.928 -7.399 279 HE3 LYS 33 3HE LYS 33 17.221 8.617 -8.677 280 HZ1 LYS 33 3HZ LYS 33 18.708 6.312 -7.713 281 HZ2 LYS 33 1HZ LYS 33 17.076 6.449 -8.139 282 HZ3 LYS 33 2HZ LYS 33 17.602 6.986 -6.624 283 H GLU 34 H GLU 34 20.630 12.340 -12.620 284 HA GLU 34 HA GLU 34 22.829 11.113 -14.149 285 HB2 GLU 34 2HB GLU 34 20.080 10.671 -14.493 286 HB3 GLU 34 3HB GLU 34 20.545 11.750 -15.801 287 HG2 GLU 34 2HG GLU 34 21.408 10.053 -16.917 288 HG3 GLU 34 3HG GLU 34 22.516 9.720 -15.587 289 H GLY 35 H GLY 35 20.713 13.879 -13.692 290 HA2 GLY 35 2HA GLY 35 21.344 16.121 -13.969 291 HA3 GLY 35 3HA GLY 35 22.742 15.591 -14.892 292 H ILE 36 H ILE 36 19.645 14.286 -15.694 293 HA ILE 36 HA ILE 36 19.799 15.240 -18.361 294 HB ILE 36 HB ILE 36 17.507 13.954 -16.875 295 HG12 ILE 36 2HG1 ILE 36 19.044 12.605 -19.040 296 HG13 ILE 36 3HG1 ILE 36 19.832 12.789 -17.476 297 HG21 ILE 36 1HG2 ILE 36 16.584 13.507 -19.137 298 HG22 ILE 36 2HG2 ILE 36 16.605 15.216 -18.707 299 HG23 ILE 36 3HG2 ILE 36 17.821 14.570 -19.808 300 HD11 ILE 36 3HD1 ILE 36 18.833 10.694 -17.381 301 HD12 ILE 36 1HD1 ILE 36 17.717 11.739 -16.501 302 HD13 ILE 36 2HD1 ILE 36 17.355 11.259 -18.159 303 HA PRO 37 HA PRO 37 17.995 19.243 -17.759 304 HB2 PRO 37 2HB PRO 37 17.657 19.843 -20.385 305 HB3 PRO 37 3HB PRO 37 19.231 19.894 -19.583 306 HG2 PRO 37 2HG PRO 37 18.053 17.752 -21.310 307 HG3 PRO 37 3HG PRO 37 19.701 18.405 -21.306 308 HD2 PRO 37 2HD PRO 37 19.061 16.061 -20.112 309 HD3 PRO 37 3HD PRO 37 20.338 17.129 -19.495 310 HA PRO 38 HA PRO 38 13.683 18.099 -17.927 311 HB2 PRO 38 2HB PRO 38 12.741 20.396 -16.829 312 HB3 PRO 38 3HB PRO 38 13.493 19.113 -15.874 313 HG2 PRO 38 2HG PRO 38 14.682 21.670 -16.881 314 HG3 PRO 38 3HG PRO 38 14.856 20.904 -15.290 315 HD2 PRO 38 2HD PRO 38 16.754 20.718 -17.212 316 HD3 PRO 38 3HD PRO 38 16.452 19.420 -16.040 317 H ASP 39 H ASP 39 15.286 20.557 -19.626 318 HA ASP 39 HA ASP 39 12.997 21.772 -20.850 319 HB2 ASP 39 2HB ASP 39 15.949 21.843 -21.473 320 HB3 ASP 39 3HB ASP 39 14.753 22.694 -22.447 321 H GLN 40 H GLN 40 14.886 18.950 -21.425 322 HA GLN 40 HA GLN 40 13.631 18.610 -24.065 323 HB2 GLN 40 2HB GLN 40 16.267 17.850 -22.960 324 HB3 GLN 40 3HB GLN 40 15.503 16.661 -24.006 325 HG2 GLN 40 2HG GLN 40 16.440 17.776 -25.683 326 HG3 GLN 40 3HG GLN 40 15.180 18.980 -25.419 327 HE21 GLN 40 1HE2 GLN 40 18.087 19.053 -26.293 328 HE22 GLN 40 2HE2 GLN 40 18.784 20.289 -25.308 329 H GLN 41 H GLN 41 13.170 17.781 -20.953 330 HA GLN 41 HA GLN 41 12.392 15.010 -21.482 331 HB2 GLN 41 2HB GLN 41 13.675 15.324 -19.466 332 HB3 GLN 41 3HB GLN 41 12.588 16.593 -18.918 333 HG2 GLN 41 2HG GLN 41 11.233 15.127 -17.963 334 HG3 GLN 41 3HG GLN 41 11.143 14.157 -19.432 335 HE21 GLN 41 1HE2 GLN 41 11.244 12.197 -18.417 336 HE22 GLN 41 2HE2 GLN 41 12.656 11.620 -17.606 337 H ARG 42 H ARG 42 10.362 14.502 -21.944 338 HA ARG 42 HA ARG 42 8.221 16.330 -21.076 339 HB2 ARG 42 2HB ARG 42 8.819 16.348 -23.579 340 HB3 ARG 42 3HB ARG 42 8.097 14.746 -23.631 341 HG2 ARG 42 2HG ARG 42 6.010 15.765 -22.679 342 HG3 ARG 42 3HG ARG 42 6.757 17.343 -22.933 343 HD2 ARG 42 2HD ARG 42 6.262 15.278 -25.075 344 HD3 ARG 42 3HD ARG 42 5.261 16.698 -24.779 345 HE ARG 42 HE ARG 42 8.008 17.360 -25.225 346 HH11 ARG 42 1HH1 ARG 42 4.997 16.580 -26.791 347 HH12 ARG 42 2HH1 ARG 42 5.396 17.408 -28.260 348 HH21 ARG 42 1HH2 ARG 42 8.545 18.453 -27.154 349 HH22 ARG 42 2HH2 ARG 42 7.415 18.472 -28.465 350 H LEU 43 H LEU 43 7.054 15.325 -19.581 351 HA LEU 43 HA LEU 43 6.716 12.417 -19.737 352 HB2 LEU 43 2HB LEU 43 7.076 14.284 -17.600 353 HB3 LEU 43 3HB LEU 43 5.544 13.440 -17.383 354 HG LEU 43 HG LEU 43 7.405 12.378 -16.170 355 HD11 LEU 43 1HD1 LEU 43 7.121 10.083 -17.484 356 HD12 LEU 43 2HD1 LEU 43 5.833 11.000 -18.266 357 HD13 LEU 43 3HD1 LEU 43 5.826 10.788 -16.516 358 HD21 LEU 43 3HD2 LEU 43 9.092 11.128 -17.519 359 HD22 LEU 43 1HD2 LEU 43 9.260 12.882 -17.588 360 HD23 LEU 43 2HD2 LEU 43 8.534 12.012 -18.940 361 H ILE 44 H ILE 44 4.780 11.475 -20.066 362 HA ILE 44 HA ILE 44 2.402 13.211 -20.149 363 HB ILE 44 HB ILE 44 3.034 11.000 -22.108 364 HG12 ILE 44 2HG1 ILE 44 4.402 13.034 -22.448 365 HG13 ILE 44 3HG1 ILE 44 3.268 12.768 -23.767 366 HG21 ILE 44 1HG2 ILE 44 0.601 12.521 -21.474 367 HG22 ILE 44 2HG2 ILE 44 0.991 12.408 -23.189 368 HG23 ILE 44 3HG2 ILE 44 0.789 10.941 -22.233 369 HD11 ILE 44 3HD1 ILE 44 1.836 14.494 -22.980 370 HD12 ILE 44 1HD1 ILE 44 2.756 14.653 -21.484 371 HD13 ILE 44 2HD1 ILE 44 3.479 15.133 -23.020 372 H PHE 45 H PHE 45 0.558 12.395 -19.286 373 HA PHE 45 HA PHE 45 0.313 9.571 -18.696 374 HB2 PHE 45 2HB PHE 45 1.539 10.245 -16.743 375 HB3 PHE 45 3HB PHE 45 0.503 11.650 -16.512 376 HD1 PHE 45 HD1 PHE 45 -0.448 8.137 -17.255 377 HD2 PHE 45 HD2 PHE 45 -0.462 11.320 -14.429 378 HE1 PHE 45 HE1 PHE 45 -1.905 6.814 -15.778 379 HE2 PHE 45 HE2 PHE 45 -1.918 10.002 -12.947 380 HZ PHE 45 HZ PHE 45 -2.641 7.746 -13.620 381 H ALA 46 H ALA 46 -1.758 8.930 -18.774 382 HA ALA 46 HA ALA 46 -4.030 8.986 -18.930 383 HB1 ALA 46 1HB ALA 46 -3.541 10.479 -16.770 384 HB2 ALA 46 2HB ALA 46 -4.281 11.707 -17.797 385 HB3 ALA 46 3HB ALA 46 -5.164 10.229 -17.413 386 H GLY 47 H GLY 47 -2.081 10.516 -20.807 387 HA2 GLY 47 2HA GLY 47 -2.436 11.347 -22.945 388 HA3 GLY 47 3HA GLY 47 -4.157 11.420 -22.599 389 H LYS 48 H LYS 48 -2.661 12.902 -20.079 390 HA LYS 48 HA LYS 48 -2.923 15.548 -21.349 391 HB2 LYS 48 2HB LYS 48 -3.412 14.737 -18.478 392 HB3 LYS 48 3HB LYS 48 -3.465 16.392 -19.070 393 HG2 LYS 48 2HG LYS 48 -5.508 16.144 -19.950 394 HG3 LYS 48 3HG LYS 48 -5.162 14.522 -20.553 395 HD2 LYS 48 2HD LYS 48 -6.576 13.856 -18.939 396 HD3 LYS 48 3HD LYS 48 -5.199 14.104 -17.863 397 HE2 LYS 48 2HE LYS 48 -6.936 15.268 -16.828 398 HE3 LYS 48 3HE LYS 48 -6.034 16.523 -17.677 399 HZ1 LYS 48 3HZ LYS 48 -8.417 15.203 -18.841 400 HZ2 LYS 48 1HZ LYS 48 -7.657 16.623 -19.359 401 HZ3 LYS 48 2HZ LYS 48 -8.519 16.608 -17.904 402 H GLN 49 H GLN 49 -1.298 17.005 -21.148 403 HA GLN 49 HA GLN 49 1.259 16.029 -20.273 404 HB2 GLN 49 2HB GLN 49 2.087 18.242 -21.025 405 HB3 GLN 49 3HB GLN 49 1.157 17.400 -22.259 406 HG2 GLN 49 2HG GLN 49 -0.767 18.879 -21.019 407 HG3 GLN 49 3HG GLN 49 0.637 19.939 -20.914 408 HE21 GLN 49 1HE2 GLN 49 1.507 20.803 -22.768 409 HE22 GLN 49 2HE2 GLN 49 0.716 20.723 -24.302 410 H LEU 50 H LEU 50 2.272 16.403 -18.399 411 HA LEU 50 HA LEU 50 0.845 17.769 -16.297 412 HB2 LEU 50 2HB LEU 50 3.178 17.144 -15.144 413 HB3 LEU 50 3HB LEU 50 1.844 16.006 -15.320 414 HG LEU 50 HG LEU 50 2.920 15.067 -17.315 415 HD11 LEU 50 1HD1 LEU 50 4.116 16.924 -18.185 416 HD12 LEU 50 2HD1 LEU 50 5.308 15.704 -17.739 417 HD13 LEU 50 3HD1 LEU 50 5.048 17.103 -16.698 418 HD21 LEU 50 3HD2 LEU 50 5.193 14.853 -15.544 419 HD22 LEU 50 1HD2 LEU 50 3.998 13.638 -15.997 420 HD23 LEU 50 2HD2 LEU 50 3.671 14.740 -14.659 421 H GLU 51 H GLU 51 1.160 19.788 -15.613 422 HA GLU 51 HA GLU 51 3.178 21.410 -16.929 423 HB2 GLU 51 2HB GLU 51 0.679 22.026 -16.421 424 HB3 GLU 51 3HB GLU 51 1.309 22.461 -14.839 425 HG2 GLU 51 2HG GLU 51 1.592 24.468 -15.791 426 HG3 GLU 51 3HG GLU 51 3.073 23.742 -16.413 427 H ASP 52 H ASP 52 4.836 22.498 -15.914 428 HA ASP 52 HA ASP 52 6.098 21.257 -13.757 429 HB2 ASP 52 2HB ASP 52 7.723 22.963 -13.880 430 HB3 ASP 52 3HB ASP 52 7.110 22.807 -15.524 431 H GLY 53 H GLY 53 3.603 23.631 -13.823 432 HA2 GLY 53 2HA GLY 53 4.066 24.433 -11.053 433 HA3 GLY 53 3HA GLY 53 2.850 25.093 -12.138 434 H ARG 54 H ARG 54 2.920 21.721 -12.218 435 HA ARG 54 HA ARG 54 0.519 21.623 -10.529 436 HB2 ARG 54 2HB ARG 54 1.478 19.888 -12.798 437 HB3 ARG 54 3HB ARG 54 0.168 19.398 -11.731 438 HG2 ARG 54 2HG ARG 54 -0.072 22.079 -12.935 439 HG3 ARG 54 3HG ARG 54 -0.207 20.706 -14.036 440 HD2 ARG 54 2HD ARG 54 -1.731 20.607 -11.489 441 HD3 ARG 54 3HD ARG 54 -2.305 21.696 -12.750 442 HE ARG 54 HE ARG 54 -1.768 19.008 -13.645 443 HH11 ARG 54 1HH1 ARG 54 -4.128 21.193 -12.313 444 HH12 ARG 54 2HH1 ARG 54 -5.486 20.275 -12.873 445 HH21 ARG 54 1HH2 ARG 54 -3.548 17.790 -14.388 446 HH22 ARG 54 2HH2 ARG 54 -5.155 18.339 -14.052 447 H THR 55 H THR 55 0.193 19.771 -9.151 448 HA THR 55 HA THR 55 2.735 18.660 -8.155 449 HB THR 55 HB THR 55 0.701 18.344 -6.199 450 HG1 THR 55 HG1 THR 55 -0.012 20.444 -5.927 451 HG21 THR 55 3HG2 THR 55 2.987 20.315 -6.246 452 HG22 THR 55 1HG2 THR 55 3.162 18.602 -5.869 453 HG23 THR 55 2HG2 THR 55 2.192 19.640 -4.825 454 H LEU 56 H LEU 56 2.554 16.515 -7.102 455 HA LEU 56 HA LEU 56 1.452 14.614 -8.837 456 HB2 LEU 56 2HB LEU 56 3.357 14.338 -7.182 457 HB3 LEU 56 3HB LEU 56 2.118 14.114 -5.948 458 HG LEU 56 HG LEU 56 1.278 12.157 -7.251 459 HD11 LEU 56 1HD1 LEU 56 3.608 12.908 -8.961 460 HD12 LEU 56 2HD1 LEU 56 1.981 12.417 -9.431 461 HD13 LEU 56 3HD1 LEU 56 3.122 11.218 -8.822 462 HD21 LEU 56 3HD2 LEU 56 4.069 12.216 -6.147 463 HD22 LEU 56 1HD2 LEU 56 3.320 10.720 -6.706 464 HD23 LEU 56 2HD2 LEU 56 2.589 11.631 -5.384 465 H SER 57 H SER 57 0.374 15.636 -5.601 466 HA SER 57 HA SER 57 -1.821 13.996 -5.311 467 HB2 SER 57 2HB SER 57 -2.331 15.285 -3.508 468 HB3 SER 57 3HB SER 57 -0.757 16.008 -3.838 469 HG SER 57 HG SER 57 -3.324 17.003 -4.345 470 H ASP 58 H ASP 58 -1.605 17.090 -7.013 471 HA ASP 58 HA ASP 58 -4.325 17.376 -7.632 472 HB2 ASP 58 2HB ASP 58 -1.807 18.593 -8.463 473 HB3 ASP 58 3HB ASP 58 -2.982 18.516 -9.773 474 H TYR 59 H TYR 59 -1.787 15.491 -9.121 475 HA TYR 59 HA TYR 59 -3.184 14.929 -11.540 476 HB2 TYR 59 2HB TYR 59 -0.607 14.558 -10.649 477 HB3 TYR 59 3HB TYR 59 -1.237 12.914 -10.679 478 HD1 TYR 59 HD1 TYR 59 -3.172 13.440 -13.039 479 HD2 TYR 59 HD2 TYR 59 0.961 14.253 -12.439 480 HE1 TYR 59 HE1 TYR 59 -2.806 13.344 -15.469 481 HE2 TYR 59 HE2 TYR 59 1.338 14.160 -14.867 482 HH TYR 59 HH TYR 59 -1.119 13.070 -17.068 483 H ASN 60 H ASN 60 -3.505 13.814 -8.352 484 HA ASN 60 HA ASN 60 -4.740 12.177 -7.368 485 HB2 ASN 60 2HB ASN 60 -6.291 13.237 -9.382 486 HB3 ASN 60 3HB ASN 60 -6.355 11.510 -9.722 487 HD21 ASN 60 1HD2 ASN 60 -7.527 14.035 -7.815 488 HD22 ASN 60 2HD2 ASN 60 -8.457 13.093 -6.704 489 H ILE 61 H ILE 61 -2.315 11.403 -8.694 490 HA ILE 61 HA ILE 61 -2.761 8.935 -10.085 491 HB ILE 61 HB ILE 61 -0.769 10.153 -10.618 492 HG12 ILE 61 2HG1 ILE 61 0.058 7.744 -8.988 493 HG13 ILE 61 3HG1 ILE 61 -0.673 7.646 -10.586 494 HG21 ILE 61 1HG2 ILE 61 0.883 9.882 -8.358 495 HG22 ILE 61 2HG2 ILE 61 0.256 11.367 -9.071 496 HG23 ILE 61 3HG2 ILE 61 -0.644 10.556 -7.790 497 HD11 ILE 61 3HD1 ILE 61 2.024 7.816 -9.992 498 HD12 ILE 61 1HD1 ILE 61 1.274 8.009 -11.576 499 HD13 ILE 61 2HD1 ILE 61 1.598 9.425 -10.575 500 H GLN 62 H GLN 62 -3.577 7.240 -9.038 501 HA GLN 62 HA GLN 62 -3.211 6.828 -6.228 502 HB2 GLN 62 2HB GLN 62 -5.042 5.971 -8.122 503 HB3 GLN 62 3HB GLN 62 -4.148 4.509 -7.729 504 HG2 GLN 62 2HG GLN 62 -4.766 5.870 -5.309 505 HG3 GLN 62 3HG GLN 62 -6.232 5.739 -6.279 506 HE21 GLN 62 1HE2 GLN 62 -5.450 4.411 -3.776 507 HE22 GLN 62 2HE2 GLN 62 -5.578 2.717 -4.088 508 H LYS 63 H LYS 63 -2.665 4.384 -5.623 509 HA LYS 63 HA LYS 63 0.114 4.074 -6.242 510 HB2 LYS 63 2HB LYS 63 -0.047 2.081 -4.746 511 HB3 LYS 63 3HB LYS 63 -0.614 3.573 -4.009 512 HG2 LYS 63 2HG LYS 63 -2.894 2.507 -5.138 513 HG3 LYS 63 3HG LYS 63 -2.030 1.097 -4.522 514 HD2 LYS 63 2HD LYS 63 -2.427 3.555 -2.844 515 HD3 LYS 63 3HD LYS 63 -3.659 2.295 -2.942 516 HE2 LYS 63 2HE LYS 63 -2.551 1.337 -1.250 517 HE3 LYS 63 3HE LYS 63 -1.385 0.848 -2.477 518 HZ1 LYS 63 3HZ LYS 63 0.060 1.924 -1.173 519 HZ2 LYS 63 1HZ LYS 63 -1.137 2.819 -0.380 520 HZ3 LYS 63 2HZ LYS 63 -0.557 3.329 -1.884 521 H GLU 64 H GLU 64 1.125 2.466 -7.402 522 HA GLU 64 HA GLU 64 1.388 0.720 -8.860 523 HB2 GLU 64 2HB GLU 64 -0.757 -0.113 -7.435 524 HB3 GLU 64 3HB GLU 64 -1.482 0.031 -9.030 525 HG2 GLU 64 2HG GLU 64 -0.430 -1.778 -9.803 526 HG3 GLU 64 3HG GLU 64 1.093 -1.341 -9.031 527 H SER 65 H SER 65 0.522 3.503 -9.515 528 HA SER 65 HA SER 65 -1.039 3.246 -11.931 529 HB2 SER 65 2HB SER 65 -1.504 5.359 -11.323 530 HB3 SER 65 3HB SER 65 -0.136 5.408 -10.211 531 HG SER 65 HG SER 65 -0.297 6.773 -12.345 532 H THR 66 H THR 66 -0.307 3.731 -14.037 533 HA THR 66 HA THR 66 2.588 3.321 -14.409 534 HB THR 66 HB THR 66 2.005 2.401 -16.652 535 HG1 THR 66 HG1 THR 66 -0.660 2.488 -15.637 536 HG21 THR 66 3HG2 THR 66 1.038 1.118 -14.125 537 HG22 THR 66 1HG2 THR 66 2.445 0.722 -15.111 538 HG23 THR 66 2HG2 THR 66 0.828 0.297 -15.672 539 H LEU 67 H LEU 67 3.704 4.895 -15.360 540 HA LEU 67 HA LEU 67 2.209 6.994 -16.786 541 HB2 LEU 67 2HB LEU 67 4.932 7.337 -15.572 542 HB3 LEU 67 3HB LEU 67 3.788 8.582 -16.069 543 HG LEU 67 HG LEU 67 3.224 6.720 -13.777 544 HD11 LEU 67 1HD1 LEU 67 3.915 8.843 -12.435 545 HD12 LEU 67 2HD1 LEU 67 4.898 9.190 -13.857 546 HD13 LEU 67 3HD1 LEU 67 5.143 7.692 -12.960 547 HD21 LEU 67 3HD2 LEU 67 1.246 7.741 -14.036 548 HD22 LEU 67 1HD2 LEU 67 1.927 9.024 -15.037 549 HD23 LEU 67 2HD2 LEU 67 2.039 9.123 -13.279 550 H HIS 68 H HIS 68 3.094 7.872 -18.688 551 HA HIS 68 HA HIS 68 4.784 5.997 -20.149 552 HB2 HIS 68 2HB HIS 68 3.005 8.280 -20.963 553 HB3 HIS 68 3HB HIS 68 4.176 7.600 -22.089 554 HD1 HIS 68 HD1 HIS 68 0.965 6.822 -20.343 555 HD2 HIS 68 HD2 HIS 68 3.549 5.057 -23.077 556 HE1 HIS 68 HE1 HIS 68 -0.287 4.850 -21.277 557 H LEU 69 H LEU 69 6.817 6.414 -20.811 558 HA LEU 69 HA LEU 69 7.946 9.040 -20.100 559 HB2 LEU 69 2HB LEU 69 8.731 6.488 -19.320 560 HB3 LEU 69 3HB LEU 69 9.900 6.955 -20.554 561 HG LEU 69 HG LEU 69 9.284 8.488 -18.028 562 HD11 LEU 69 1HD1 LEU 69 10.508 6.388 -17.655 563 HD12 LEU 69 2HD1 LEU 69 11.492 7.809 -17.310 564 HD13 LEU 69 3HD1 LEU 69 11.733 6.913 -18.809 565 HD21 LEU 69 3HD2 LEU 69 11.675 9.376 -19.110 566 HD22 LEU 69 1HD2 LEU 69 10.132 10.231 -19.122 567 HD23 LEU 69 2HD2 LEU 69 10.598 9.233 -20.500 568 H VAL 70 H VAL 70 9.010 10.207 -21.609 569 HA VAL 70 HA VAL 70 8.956 9.182 -24.351 570 HB VAL 70 HB VAL 70 7.991 11.475 -23.636 571 HG11 VAL 70 1HG1 VAL 70 9.448 13.298 -23.443 572 HG12 VAL 70 2HG1 VAL 70 10.180 12.045 -22.439 573 HG13 VAL 70 3HG1 VAL 70 10.824 12.377 -24.048 574 HG21 VAL 70 3HG2 VAL 70 9.609 12.189 -25.884 575 HG22 VAL 70 1HG2 VAL 70 9.128 10.497 -26.020 576 HG23 VAL 70 2HG2 VAL 70 7.901 11.752 -25.838 577 H LEU 71 H LEU 71 10.777 9.497 -25.760 578 HA LEU 71 HA LEU 71 13.344 9.463 -24.315 579 HB2 LEU 71 2HB LEU 71 12.198 7.644 -26.190 580 HB3 LEU 71 3HB LEU 71 13.641 8.360 -26.904 581 HG LEU 71 HG LEU 71 14.239 6.295 -25.842 582 HD11 LEU 71 1HD1 LEU 71 15.694 8.391 -25.609 583 HD12 LEU 71 2HD1 LEU 71 16.045 7.019 -24.558 584 HD13 LEU 71 3HD1 LEU 71 15.162 8.409 -23.928 585 HD21 LEU 71 3HD2 LEU 71 13.963 6.109 -23.328 586 HD22 LEU 71 1HD2 LEU 71 12.500 5.924 -24.295 587 HD23 LEU 71 2HD2 LEU 71 12.815 7.442 -23.455 588 H ARG 72 H ARG 72 15.216 10.276 -25.522 589 HA ARG 72 HA ARG 72 14.452 12.553 -27.223 590 HB2 ARG 72 2HB ARG 72 16.975 12.185 -25.598 591 HB3 ARG 72 3HB ARG 72 16.515 13.624 -26.498 592 HG2 ARG 72 2HG ARG 72 14.999 14.288 -24.938 593 HG3 ARG 72 3HG ARG 72 14.638 12.639 -24.426 594 HD2 ARG 72 2HD ARG 72 17.391 13.464 -23.897 595 HD3 ARG 72 3HD ARG 72 16.186 14.435 -23.052 596 HE ARG 72 HE ARG 72 16.851 11.677 -22.563 597 HH11 ARG 72 1HH1 ARG 72 14.433 14.158 -22.219 598 HH12 ARG 72 2HH1 ARG 72 13.648 13.389 -20.879 599 HH21 ARG 72 1HH2 ARG 72 15.826 10.656 -20.799 600 HH22 ARG 72 2HH2 ARG 72 14.442 11.398 -20.072 601 H LEU 73 H LEU 73 14.900 12.363 -29.308 602 HA LEU 73 HA LEU 73 16.825 10.364 -30.200 603 HB2 LEU 73 2HB LEU 73 14.435 10.822 -31.149 604 HB3 LEU 73 3HB LEU 73 15.246 12.106 -32.043 605 HG LEU 73 HG LEU 73 16.796 9.829 -32.489 606 HD11 LEU 73 1HD1 LEU 73 14.377 8.880 -31.629 607 HD12 LEU 73 2HD1 LEU 73 15.507 8.015 -32.670 608 HD13 LEU 73 3HD1 LEU 73 14.171 8.921 -33.380 609 HD21 LEU 73 3HD2 LEU 73 14.735 11.279 -34.133 610 HD22 LEU 73 1HD2 LEU 73 15.768 10.008 -34.786 611 HD23 LEU 73 2HD2 LEU 73 16.487 11.487 -34.149 612 H ARG 74 H ARG 74 18.703 10.801 -31.252 613 HA ARG 74 HA ARG 74 19.468 13.640 -31.442 614 HB2 ARG 74 2HB ARG 74 21.131 11.185 -30.881 615 HB3 ARG 74 3HB ARG 74 21.832 12.748 -31.278 616 HG2 ARG 74 2HG ARG 74 20.846 13.737 -29.310 617 HG3 ARG 74 3HG ARG 74 20.015 12.225 -28.936 618 HD2 ARG 74 2HD ARG 74 22.605 11.401 -29.157 619 HD3 ARG 74 3HD ARG 74 22.799 13.016 -28.476 620 HE ARG 74 HE ARG 74 20.849 11.834 -26.958 621 HH11 ARG 74 1HH1 ARG 74 24.148 11.096 -27.793 622 HH12 ARG 74 2HH1 ARG 74 24.475 10.265 -26.308 623 HH21 ARG 74 1HH2 ARG 74 21.267 10.743 -25.000 624 HH22 ARG 74 2HH2 ARG 74 22.835 10.064 -24.720 625 H GLY 75 H GLY 75 19.352 14.309 -33.486 626 HA2 GLY 75 2HA GLY 75 20.377 14.392 -35.645 627 HA3 GLY 75 3HA GLY 75 20.642 12.658 -35.549 628 H GLY 76 H GLY 76 18.813 15.014 -36.975 629 HA2 GLY 76 2HA GLY 76 17.250 13.382 -38.520 630 HA3 GLY 76 3HA GLY 76 16.282 13.667 -37.081 Start of MODEL 15 1 H1 GLY 0 H GLY 0 -0.544 7.059 -1.016 2 HA2 GLY 0 2HA GLY 0 0.206 5.633 -2.874 3 HA3 GLY 0 3HA GLY 0 0.610 7.110 -3.737 4 H MET 1 H MET 1 2.406 4.976 -3.302 5 HA MET 1 HA MET 1 4.461 6.403 -1.786 6 HB2 MET 1 2HB MET 1 3.786 3.480 -1.422 7 HB3 MET 1 3HB MET 1 5.229 4.254 -0.782 8 HG2 MET 1 2HG MET 1 3.917 4.382 1.054 9 HG3 MET 1 3HG MET 1 3.438 5.887 0.274 10 HE1 MET 1 3HE MET 1 2.304 3.389 2.304 11 HE2 MET 1 1HE MET 1 0.731 2.795 1.772 12 HE3 MET 1 2HE MET 1 2.207 2.112 1.090 13 H GLN 2 H GLN 2 4.171 3.253 -3.433 14 HA GLN 2 HA GLN 2 6.572 3.926 -4.976 15 HB2 GLN 2 2HB GLN 2 5.234 1.302 -4.336 16 HB3 GLN 2 3HB GLN 2 6.513 1.442 -5.535 17 HG2 GLN 2 2HG GLN 2 7.615 2.700 -3.379 18 HG3 GLN 2 3HG GLN 2 6.660 1.426 -2.622 19 HE21 GLN 2 1HE2 GLN 2 7.803 -0.314 -2.232 20 HE22 GLN 2 2HE2 GLN 2 9.077 -0.946 -3.214 21 H ILE 3 H ILE 3 6.529 4.192 -7.129 22 HA ILE 3 HA ILE 3 4.041 3.520 -8.556 23 HB ILE 3 HB ILE 3 4.609 5.561 -10.016 24 HG12 ILE 3 2HG1 ILE 3 5.851 6.698 -7.550 25 HG13 ILE 3 3HG1 ILE 3 6.861 5.738 -8.625 26 HG21 ILE 3 1HG2 ILE 3 3.631 5.976 -7.194 27 HG22 ILE 3 2HG2 ILE 3 3.329 7.044 -8.563 28 HG23 ILE 3 3HG2 ILE 3 2.657 5.413 -8.552 29 HD11 ILE 3 3HD1 ILE 3 7.226 7.786 -9.513 30 HD12 ILE 3 1HD1 ILE 3 5.792 7.344 -10.439 31 HD13 ILE 3 2HD1 ILE 3 5.644 8.401 -9.035 32 H PHE 4 H PHE 4 4.371 3.479 -10.971 33 HA PHE 4 HA PHE 4 7.054 2.468 -11.644 34 HB2 PHE 4 2HB PHE 4 4.452 1.143 -11.845 35 HB3 PHE 4 3HB PHE 4 5.357 1.123 -13.356 36 HD1 PHE 4 HD2 PHE 4 7.709 0.201 -13.334 37 HD2 PHE 4 HD1 PHE 4 4.991 -0.309 -10.099 38 HE1 PHE 4 HE2 PHE 4 9.060 -1.679 -12.501 39 HE2 PHE 4 HE1 PHE 4 6.338 -2.189 -9.259 40 HZ PHE 4 HZ PHE 4 8.374 -2.877 -10.461 41 H VAL 5 H VAL 5 7.920 3.139 -13.539 42 HA VAL 5 HA VAL 5 6.249 4.888 -15.227 43 HB VAL 5 HB VAL 5 8.325 6.119 -15.798 44 HG11 VAL 5 1HG1 VAL 5 8.629 6.985 -13.298 45 HG12 VAL 5 2HG1 VAL 5 7.189 7.341 -14.254 46 HG13 VAL 5 3HG1 VAL 5 7.164 6.030 -13.073 47 HG21 VAL 5 3HG2 VAL 5 9.971 5.475 -13.609 48 HG22 VAL 5 1HG2 VAL 5 9.531 3.947 -14.373 49 HG23 VAL 5 2HG2 VAL 5 10.301 5.219 -15.322 50 H LYS 6 H LYS 6 6.046 4.317 -17.289 51 HA LYS 6 HA LYS 6 7.772 2.180 -18.320 52 HB2 LYS 6 2HB LYS 6 5.281 1.871 -18.316 53 HB3 LYS 6 3HB LYS 6 5.168 3.195 -19.467 54 HG2 LYS 6 2HG LYS 6 5.352 1.676 -21.070 55 HG3 LYS 6 3HG LYS 6 7.038 1.483 -20.585 56 HD2 LYS 6 2HD LYS 6 5.769 -0.079 -18.753 57 HD3 LYS 6 3HD LYS 6 4.734 -0.290 -20.168 58 HE2 LYS 6 2HE LYS 6 7.467 -0.427 -20.982 59 HE3 LYS 6 3HE LYS 6 7.223 -1.513 -19.615 60 HZ1 LYS 6 3HZ LYS 6 6.779 -2.696 -21.621 61 HZ2 LYS 6 1HZ LYS 6 5.716 -1.501 -22.171 62 HZ3 LYS 6 2HZ LYS 6 5.302 -2.451 -20.834 63 H THR 7 H THR 7 8.908 2.380 -20.217 64 HA THR 7 HA THR 7 9.118 5.116 -21.284 65 HB THR 7 HB THR 7 11.257 3.279 -22.050 66 HG1 THR 7 HG1 THR 7 10.820 3.873 -19.297 67 HG21 THR 7 3HG2 THR 7 11.517 5.611 -22.438 68 HG22 THR 7 1HG2 THR 7 12.624 5.194 -21.131 69 HG23 THR 7 2HG2 THR 7 11.099 6.003 -20.771 70 H LEU 8 H LEU 8 10.112 5.000 -23.638 71 HA LEU 8 HA LEU 8 8.141 3.582 -25.220 72 HB2 LEU 8 2HB LEU 8 9.631 5.977 -25.477 73 HB3 LEU 8 3HB LEU 8 10.060 4.937 -26.834 74 HG LEU 8 HG LEU 8 7.264 5.810 -26.103 75 HD11 LEU 8 1HD1 LEU 8 7.533 7.590 -27.404 76 HD12 LEU 8 2HD1 LEU 8 8.280 6.632 -28.682 77 HD13 LEU 8 3HD1 LEU 8 9.266 7.261 -27.362 78 HD21 LEU 8 3HD2 LEU 8 6.867 3.838 -27.183 79 HD22 LEU 8 1HD2 LEU 8 8.374 3.906 -28.098 80 HD23 LEU 8 2HD2 LEU 8 7.007 4.913 -28.575 81 H THR 9 H THR 9 10.874 2.592 -23.883 82 HA THR 9 HA THR 9 11.785 1.072 -26.236 83 HB THR 9 HB THR 9 13.459 0.959 -23.818 84 HG1 THR 9 HG1 THR 9 13.641 3.044 -23.564 85 HG21 THR 9 3HG2 THR 9 14.302 1.840 -26.555 86 HG22 THR 9 1HG2 THR 9 13.906 0.150 -26.247 87 HG23 THR 9 2HG2 THR 9 15.208 0.928 -25.348 88 H GLY 10 H GLY 10 9.487 0.519 -24.358 89 HA2 GLY 10 2HA GLY 10 8.503 -1.361 -23.479 90 HA3 GLY 10 3HA GLY 10 9.802 -2.286 -24.217 91 H LYS 11 H LYS 11 10.876 0.167 -22.126 92 HA LYS 11 HA LYS 11 11.535 -1.855 -20.103 93 HB2 LYS 11 2HB LYS 11 13.247 -0.258 -21.328 94 HB3 LYS 11 3HB LYS 11 12.726 0.886 -20.098 95 HG2 LYS 11 2HG LYS 11 13.528 -0.466 -18.350 96 HG3 LYS 11 3HG LYS 11 13.711 -1.865 -19.411 97 HD2 LYS 11 2HD LYS 11 15.300 -0.051 -20.658 98 HD3 LYS 11 3HD LYS 11 15.501 0.426 -18.971 99 HE2 LYS 11 2HE LYS 11 17.042 -1.189 -18.866 100 HE3 LYS 11 3HE LYS 11 15.683 -2.311 -18.855 101 HZ1 LYS 11 3HZ LYS 11 16.542 -1.423 -21.477 102 HZ2 LYS 11 1HZ LYS 11 16.095 -2.966 -20.947 103 HZ3 LYS 11 2HZ LYS 11 17.655 -2.387 -20.644 104 H THR 12 H THR 12 11.194 -1.475 -17.899 105 HA THR 12 HA THR 12 9.458 0.803 -17.229 106 HB THR 12 HB THR 12 7.992 -1.119 -17.469 107 HG1 THR 12 HG1 THR 12 8.079 0.403 -15.428 108 HG21 THR 12 3HG2 THR 12 9.768 -2.456 -15.424 109 HG22 THR 12 1HG2 THR 12 9.635 -2.897 -17.125 110 HG23 THR 12 2HG2 THR 12 8.252 -3.105 -16.051 111 H ILE 13 H ILE 13 9.912 1.803 -15.344 112 HA ILE 13 HA ILE 13 11.923 0.546 -13.593 113 HB ILE 13 HB ILE 13 11.640 3.521 -13.962 114 HG12 ILE 13 2HG1 ILE 13 12.218 2.514 -16.132 115 HG13 ILE 13 3HG1 ILE 13 13.568 3.429 -15.471 116 HG21 ILE 13 1HG2 ILE 13 13.960 3.490 -13.056 117 HG22 ILE 13 2HG2 ILE 13 12.740 2.896 -11.931 118 HG23 ILE 13 3HG2 ILE 13 13.780 1.757 -12.785 119 HD11 ILE 13 3HD1 ILE 13 14.879 1.632 -15.375 120 HD12 ILE 13 1HD1 ILE 13 13.594 0.610 -14.730 121 HD13 ILE 13 2HD1 ILE 13 13.704 0.898 -16.467 122 H THR 14 H THR 14 11.799 1.046 -11.350 123 HA THR 14 HA THR 14 9.114 1.912 -10.495 124 HB THR 14 HB THR 14 9.678 -0.501 -10.062 125 HG1 THR 14 HG1 THR 14 9.358 0.957 -7.645 126 HG21 THR 14 3HG2 THR 14 11.403 0.393 -7.800 127 HG22 THR 14 1HG2 THR 14 12.120 0.249 -9.405 128 HG23 THR 14 2HG2 THR 14 11.367 -1.154 -8.646 129 H LEU 15 H LEU 15 8.922 3.409 -8.890 130 HA LEU 15 HA LEU 15 11.304 4.286 -7.454 131 HB2 LEU 15 2HB LEU 15 10.510 5.616 -9.721 132 HB3 LEU 15 3HB LEU 15 9.723 6.535 -8.439 133 HG LEU 15 HG LEU 15 12.046 6.653 -7.359 134 HD11 LEU 15 1HD1 LEU 15 12.827 4.876 -9.141 135 HD12 LEU 15 2HD1 LEU 15 13.920 6.127 -8.550 136 HD13 LEU 15 3HD1 LEU 15 13.121 6.320 -10.110 137 HD21 LEU 15 3HD2 LEU 15 11.749 8.741 -8.056 138 HD22 LEU 15 1HD2 LEU 15 10.792 8.197 -9.434 139 HD23 LEU 15 2HD2 LEU 15 12.548 8.301 -9.566 140 H GLU 16 H GLU 16 10.629 6.140 -5.886 141 HA GLU 16 HA GLU 16 7.928 5.617 -4.846 142 HB2 GLU 16 2HB GLU 16 8.746 5.497 -2.590 143 HB3 GLU 16 3HB GLU 16 9.644 4.340 -3.562 144 HG2 GLU 16 2HG GLU 16 11.335 5.278 -2.358 145 HG3 GLU 16 3HG GLU 16 11.349 6.311 -3.787 146 H VAL 17 H VAL 17 6.843 7.358 -4.053 147 HA VAL 17 HA VAL 17 8.211 9.847 -3.499 148 HB VAL 17 HB VAL 17 6.670 11.111 -5.083 149 HG11 VAL 17 1HG1 VAL 17 9.167 10.599 -5.363 150 HG12 VAL 17 2HG1 VAL 17 8.650 9.398 -6.548 151 HG13 VAL 17 3HG1 VAL 17 8.264 11.102 -6.791 152 HG21 VAL 17 3HG2 VAL 17 5.569 10.041 -6.805 153 HG22 VAL 17 1HG2 VAL 17 6.585 8.603 -6.702 154 HG23 VAL 17 2HG2 VAL 17 5.345 8.897 -5.482 155 H GLU 18 H GLU 18 6.269 11.617 -3.298 156 HA GLU 18 HA GLU 18 4.235 10.334 -1.593 157 HB2 GLU 18 2HB GLU 18 4.986 13.172 -1.124 158 HB3 GLU 18 3HB GLU 18 4.484 11.938 0.023 159 HG2 GLU 18 2HG GLU 18 7.160 11.896 -1.337 160 HG3 GLU 18 3HG GLU 18 6.872 12.731 0.189 161 HA PRO 19 HA PRO 19 1.033 12.271 -3.881 162 HB2 PRO 19 2HB PRO 19 -0.715 13.023 -1.945 163 HB3 PRO 19 3HB PRO 19 -0.463 11.336 -2.409 164 HG2 PRO 19 2HG PRO 19 0.671 12.852 -0.090 165 HG3 PRO 19 3HG PRO 19 0.013 11.206 -0.136 166 HD2 PRO 19 2HD PRO 19 2.673 11.712 -0.166 167 HD3 PRO 19 3HD PRO 19 1.956 10.318 -1.000 168 H SER 20 H SER 20 2.407 14.124 -1.230 169 HA SER 20 HA SER 20 1.333 16.626 -2.234 170 HB2 SER 20 2HB SER 20 1.784 15.922 0.263 171 HB3 SER 20 3HB SER 20 3.416 16.490 -0.086 172 HG SER 20 HG SER 20 2.620 18.387 0.323 173 H ASP 21 H ASP 21 3.657 14.724 -3.341 174 HA ASP 21 HA ASP 21 5.725 16.739 -3.719 175 HB2 ASP 21 2HB ASP 21 6.031 14.154 -3.296 176 HB3 ASP 21 3HB ASP 21 5.805 14.057 -5.041 177 H THR 22 H THR 22 6.319 17.601 -5.696 178 HA THR 22 HA THR 22 4.262 17.406 -7.787 179 HB THR 22 HB THR 22 4.465 19.662 -7.129 180 HG1 THR 22 HG1 THR 22 4.670 20.318 -9.126 181 HG21 THR 22 3HG2 THR 22 7.407 19.102 -7.084 182 HG22 THR 22 1HG2 THR 22 6.389 19.821 -5.837 183 HG23 THR 22 2HG2 THR 22 6.820 20.754 -7.270 184 H ILE 23 H ILE 23 4.917 17.373 -10.014 185 HA ILE 23 HA ILE 23 6.921 15.487 -10.576 186 HB ILE 23 HB ILE 23 5.649 17.450 -12.487 187 HG12 ILE 23 2HG1 ILE 23 3.945 16.143 -11.359 188 HG13 ILE 23 3HG1 ILE 23 4.121 15.558 -13.010 189 HG21 ILE 23 1HG2 ILE 23 7.192 16.628 -13.886 190 HG22 ILE 23 2HG2 ILE 23 7.582 15.283 -12.817 191 HG23 ILE 23 3HG2 ILE 23 6.192 15.176 -13.896 192 HD11 ILE 23 3HD1 ILE 23 4.612 14.205 -10.464 193 HD12 ILE 23 1HD1 ILE 23 4.164 13.547 -12.038 194 HD13 ILE 23 2HD1 ILE 23 5.849 13.940 -11.693 195 H GLU 24 H GLU 24 7.110 18.847 -10.034 196 HA GLU 24 HA GLU 24 9.465 19.334 -11.603 197 HB2 GLU 24 2HB GLU 24 7.724 21.061 -10.894 198 HB3 GLU 24 3HB GLU 24 8.476 21.015 -9.306 199 HG2 GLU 24 2HG GLU 24 10.661 21.453 -10.728 200 HG3 GLU 24 3HG GLU 24 9.490 22.133 -11.857 201 H ASN 25 H ASN 25 8.759 18.462 -8.280 202 HA ASN 25 HA ASN 25 11.428 18.870 -7.330 203 HB2 ASN 25 2HB ASN 25 9.051 18.641 -6.078 204 HB3 ASN 25 3HB ASN 25 9.643 16.994 -5.885 205 HD21 ASN 25 1HD2 ASN 25 9.752 17.349 -3.637 206 HD22 ASN 25 2HD2 ASN 25 11.054 18.246 -2.939 207 H VAL 26 H VAL 26 9.513 16.026 -8.251 208 HA VAL 26 HA VAL 26 11.408 14.061 -7.673 209 HB VAL 26 HB VAL 26 9.029 13.617 -8.262 210 HG11 VAL 26 1HG1 VAL 26 8.411 13.454 -10.630 211 HG12 VAL 26 2HG1 VAL 26 8.834 15.107 -10.177 212 HG13 VAL 26 3HG1 VAL 26 9.982 14.117 -11.080 213 HG21 VAL 26 3HG2 VAL 26 9.616 11.620 -9.811 214 HG22 VAL 26 1HG2 VAL 26 11.280 12.158 -9.585 215 HG23 VAL 26 2HG2 VAL 26 10.309 11.686 -8.191 216 H LYS 27 H LYS 27 11.111 16.216 -10.408 217 HA LYS 27 HA LYS 27 12.769 14.903 -12.236 218 HB2 LYS 27 2HB LYS 27 11.730 16.650 -13.265 219 HB3 LYS 27 3HB LYS 27 11.815 17.678 -11.840 220 HG2 LYS 27 2HG LYS 27 14.359 17.061 -13.225 221 HG3 LYS 27 3HG LYS 27 13.231 18.153 -14.032 222 HD2 LYS 27 2HD LYS 27 13.171 19.209 -11.571 223 HD3 LYS 27 3HD LYS 27 14.800 18.528 -11.548 224 HE2 LYS 27 2HE LYS 27 15.443 19.798 -13.453 225 HE3 LYS 27 3HE LYS 27 13.779 20.288 -13.768 226 HZ1 LYS 27 3HZ LYS 27 14.123 22.063 -12.516 227 HZ2 LYS 27 1HZ LYS 27 15.700 21.561 -12.164 228 HZ3 LYS 27 2HZ LYS 27 14.417 21.079 -11.172 229 H ALA 28 H ALA 28 13.536 17.104 -9.587 230 HA ALA 28 HA ALA 28 16.249 17.504 -10.144 231 HB1 ALA 28 1HB ALA 28 15.979 18.854 -8.407 232 HB2 ALA 28 2HB ALA 28 14.445 18.081 -8.007 233 HB3 ALA 28 3HB ALA 28 15.951 17.449 -7.341 234 H LYS 29 H LYS 29 14.588 14.895 -8.464 235 HA LYS 29 HA LYS 29 16.876 13.632 -7.397 236 HB2 LYS 29 2HB LYS 29 14.453 13.227 -6.759 237 HB3 LYS 29 3HB LYS 29 14.321 12.252 -8.216 238 HG2 LYS 29 2HG LYS 29 16.374 10.992 -7.236 239 HG3 LYS 29 3HG LYS 29 15.853 11.718 -5.713 240 HD2 LYS 29 2HD LYS 29 13.768 10.407 -7.358 241 HD3 LYS 29 3HD LYS 29 14.952 9.353 -6.580 242 HE2 LYS 29 2HE LYS 29 13.352 11.466 -5.143 243 HE3 LYS 29 3HE LYS 29 12.895 9.765 -5.229 244 HZ1 LYS 29 3HZ LYS 29 14.811 11.039 -3.542 245 HZ2 LYS 29 1HZ LYS 29 15.493 9.738 -4.381 246 HZ3 LYS 29 2HZ LYS 29 14.125 9.497 -3.416 247 H ILE 30 H ILE 30 15.221 13.362 -10.492 248 HA ILE 30 HA ILE 30 16.637 11.096 -11.431 249 HB ILE 30 HB ILE 30 14.611 12.814 -12.432 250 HG12 ILE 30 2HG1 ILE 30 14.419 10.925 -14.130 251 HG13 ILE 30 3HG1 ILE 30 15.831 10.212 -13.356 252 HG21 ILE 30 1HG2 ILE 30 16.919 12.457 -14.338 253 HG22 ILE 30 2HG2 ILE 30 15.310 13.022 -14.784 254 HG23 ILE 30 3HG2 ILE 30 16.313 13.983 -13.697 255 HD11 ILE 30 3HD1 ILE 30 13.217 10.823 -11.997 256 HD12 ILE 30 1HD1 ILE 30 13.745 9.235 -12.552 257 HD13 ILE 30 2HD1 ILE 30 14.623 10.055 -11.260 258 H GLN 31 H GLN 31 17.204 14.571 -11.671 259 HA GLN 31 HA GLN 31 19.372 14.426 -13.481 260 HB2 GLN 31 2HB GLN 31 18.204 16.511 -13.168 261 HB3 GLN 31 3HB GLN 31 18.602 16.529 -11.455 262 HG2 GLN 31 2HG GLN 31 21.035 16.607 -12.181 263 HG3 GLN 31 3HG GLN 31 20.424 16.968 -13.795 264 HE21 GLN 31 1HE2 GLN 31 20.937 18.144 -10.598 265 HE22 GLN 31 2HE2 GLN 31 20.481 19.784 -10.895 266 H ASP 32 H ASP 32 19.153 14.309 -9.971 267 HA ASP 32 HA ASP 32 21.963 14.453 -9.510 268 HB2 ASP 32 2HB ASP 32 20.013 14.920 -7.866 269 HB3 ASP 32 3HB ASP 32 20.014 13.177 -7.609 270 H LYS 33 H LYS 33 20.026 12.057 -10.801 271 HA LYS 33 HA LYS 33 21.805 9.900 -9.894 272 HB2 LYS 33 2HB LYS 33 19.224 9.766 -9.718 273 HB3 LYS 33 3HB LYS 33 19.270 9.487 -11.454 274 HG2 LYS 33 2HG LYS 33 20.653 7.519 -11.124 275 HG3 LYS 33 3HG LYS 33 20.676 7.812 -9.383 276 HD2 LYS 33 2HD LYS 33 18.601 6.982 -9.091 277 HD3 LYS 33 3HD LYS 33 17.997 7.695 -10.589 278 HE2 LYS 33 2HE LYS 33 17.912 5.489 -11.160 279 HE3 LYS 33 3HE LYS 33 19.559 5.856 -11.670 280 HZ1 LYS 33 3HZ LYS 33 19.033 3.796 -10.165 281 HZ2 LYS 33 1HZ LYS 33 19.130 4.938 -8.922 282 HZ3 LYS 33 2HZ LYS 33 20.452 4.690 -9.947 283 H GLU 34 H GLU 34 20.351 11.302 -12.811 284 HA GLU 34 HA GLU 34 22.530 10.077 -14.372 285 HB2 GLU 34 2HB GLU 34 19.622 10.111 -14.830 286 HB3 GLU 34 3HB GLU 34 20.590 10.529 -16.236 287 HG2 GLU 34 2HG GLU 34 20.153 8.182 -16.272 288 HG3 GLU 34 3HG GLU 34 21.864 8.433 -15.931 289 H GLY 35 H GLY 35 20.473 12.871 -13.850 290 HA2 GLY 35 2HA GLY 35 21.055 15.105 -14.163 291 HA3 GLY 35 3HA GLY 35 22.507 14.583 -15.006 292 H ILE 36 H ILE 36 19.442 13.275 -15.947 293 HA ILE 36 HA ILE 36 19.734 14.134 -18.623 294 HB ILE 36 HB ILE 36 17.281 13.072 -17.217 295 HG12 ILE 36 2HG1 ILE 36 19.302 11.656 -18.967 296 HG13 ILE 36 3HG1 ILE 36 19.253 11.558 -17.210 297 HG21 ILE 36 1HG2 ILE 36 16.769 14.315 -19.289 298 HG22 ILE 36 2HG2 ILE 36 17.853 13.242 -20.172 299 HG23 ILE 36 3HG2 ILE 36 16.398 12.595 -19.414 300 HD11 ILE 36 3HD1 ILE 36 17.261 10.503 -19.187 301 HD12 ILE 36 1HD1 ILE 36 18.212 9.610 -18.000 302 HD13 ILE 36 2HD1 ILE 36 16.902 10.665 -17.468 303 HA PRO 37 HA PRO 37 18.100 18.233 -18.336 304 HB2 PRO 37 2HB PRO 37 17.747 18.655 -20.994 305 HB3 PRO 37 3HB PRO 37 19.336 18.682 -20.220 306 HG2 PRO 37 2HG PRO 37 18.019 16.483 -21.767 307 HG3 PRO 37 3HG PRO 37 19.699 17.047 -21.834 308 HD2 PRO 37 2HD PRO 37 18.959 14.835 -20.459 309 HD3 PRO 37 3HD PRO 37 20.300 15.877 -19.942 310 HA PRO 38 HA PRO 38 13.753 17.015 -18.407 311 HB2 PRO 38 2HB PRO 38 12.915 19.092 -16.873 312 HB3 PRO 38 3HB PRO 38 13.659 17.638 -16.198 313 HG2 PRO 38 2HG PRO 38 14.889 20.309 -16.764 314 HG3 PRO 38 3HG PRO 38 15.092 19.261 -15.348 315 HD2 PRO 38 2HD PRO 38 16.920 19.387 -17.341 316 HD3 PRO 38 3HD PRO 38 16.619 17.903 -16.415 317 H ASP 39 H ASP 39 15.375 19.684 -19.709 318 HA ASP 39 HA ASP 39 13.190 21.286 -20.530 319 HB2 ASP 39 2HB ASP 39 16.044 21.272 -20.865 320 HB3 ASP 39 3HB ASP 39 15.272 21.563 -22.422 321 H GLN 40 H GLN 40 14.392 18.282 -21.629 322 HA GLN 40 HA GLN 40 12.742 18.494 -24.061 323 HB2 GLN 40 2HB GLN 40 15.396 18.098 -24.098 324 HB3 GLN 40 3HB GLN 40 14.869 16.429 -23.925 325 HG2 GLN 40 2HG GLN 40 14.731 16.431 -26.144 326 HG3 GLN 40 3HG GLN 40 13.235 17.334 -25.912 327 HE21 GLN 40 1HE2 GLN 40 15.673 17.282 -27.864 328 HE22 GLN 40 2HE2 GLN 40 15.979 18.963 -28.117 329 H GLN 41 H GLN 41 12.514 17.400 -21.105 330 HA GLN 41 HA GLN 41 11.586 14.699 -21.745 331 HB2 GLN 41 2HB GLN 41 12.000 16.106 -19.103 332 HB3 GLN 41 3HB GLN 41 11.353 14.478 -19.260 333 HG2 GLN 41 2HG GLN 41 14.113 15.467 -19.852 334 HG3 GLN 41 3HG GLN 41 13.606 14.166 -18.776 335 HE21 GLN 41 1HE2 GLN 41 15.122 14.746 -21.569 336 HE22 GLN 41 2HE2 GLN 41 14.771 13.289 -22.428 337 H ARG 42 H ARG 42 9.502 14.248 -22.011 338 HA ARG 42 HA ARG 42 7.503 16.099 -20.899 339 HB2 ARG 42 2HB ARG 42 8.031 15.520 -23.668 340 HB3 ARG 42 3HB ARG 42 6.413 14.976 -23.244 341 HG2 ARG 42 2HG ARG 42 6.246 17.355 -22.148 342 HG3 ARG 42 3HG ARG 42 7.541 17.726 -23.287 343 HD2 ARG 42 2HD ARG 42 5.049 16.338 -24.198 344 HD3 ARG 42 3HD ARG 42 5.084 18.091 -24.010 345 HE ARG 42 HE ARG 42 7.279 17.511 -25.533 346 HH11 ARG 42 1HH1 ARG 42 3.860 16.905 -25.788 347 HH12 ARG 42 2HH1 ARG 42 3.854 16.923 -27.520 348 HH21 ARG 42 1HH2 ARG 42 7.283 17.537 -27.813 349 HH22 ARG 42 2HH2 ARG 42 5.802 17.282 -28.671 350 H LEU 43 H LEU 43 6.009 15.131 -19.693 351 HA LEU 43 HA LEU 43 5.745 12.207 -19.891 352 HB2 LEU 43 2HB LEU 43 4.728 12.480 -17.565 353 HB3 LEU 43 3HB LEU 43 6.470 12.688 -17.735 354 HG LEU 43 HG LEU 43 4.834 15.147 -17.888 355 HD11 LEU 43 1HD1 LEU 43 4.644 15.299 -15.451 356 HD12 LEU 43 2HD1 LEU 43 5.229 13.642 -15.305 357 HD13 LEU 43 3HD1 LEU 43 3.689 13.966 -16.100 358 HD21 LEU 43 3HD2 LEU 43 7.513 14.504 -17.646 359 HD22 LEU 43 1HD2 LEU 43 7.056 15.031 -16.026 360 HD23 LEU 43 2HD2 LEU 43 6.792 16.096 -17.407 361 H ILE 44 H ILE 44 3.790 11.277 -20.225 362 HA ILE 44 HA ILE 44 1.438 13.042 -20.348 363 HB ILE 44 HB ILE 44 1.979 10.834 -22.331 364 HG12 ILE 44 2HG1 ILE 44 3.621 12.668 -22.580 365 HG13 ILE 44 3HG1 ILE 44 2.521 12.571 -23.951 366 HG21 ILE 44 1HG2 ILE 44 0.179 12.180 -23.581 367 HG22 ILE 44 2HG2 ILE 44 -0.323 11.161 -22.233 368 HG23 ILE 44 3HG2 ILE 44 -0.163 12.903 -22.010 369 HD11 ILE 44 3HD1 ILE 44 3.107 14.873 -22.943 370 HD12 ILE 44 1HD1 ILE 44 1.436 14.523 -23.384 371 HD13 ILE 44 2HD1 ILE 44 1.940 14.434 -21.696 372 H PHE 45 H PHE 45 -0.387 12.253 -19.461 373 HA PHE 45 HA PHE 45 -0.772 9.422 -19.053 374 HB2 PHE 45 2HB PHE 45 0.631 9.970 -17.125 375 HB3 PHE 45 3HB PHE 45 -0.465 11.274 -16.680 376 HD1 PHE 45 HD1 PHE 45 -0.191 7.604 -17.032 377 HD2 PHE 45 HD2 PHE 45 -2.377 10.862 -15.382 378 HE1 PHE 45 HE1 PHE 45 -1.496 6.030 -15.663 379 HE2 PHE 45 HE2 PHE 45 -3.685 9.294 -14.009 380 HZ PHE 45 HZ PHE 45 -3.245 6.875 -14.148 381 H ALA 46 H ALA 46 -2.891 8.903 -18.978 382 HA ALA 46 HA ALA 46 -5.159 9.116 -18.977 383 HB1 ALA 46 1HB ALA 46 -4.464 10.486 -16.816 384 HB2 ALA 46 2HB ALA 46 -5.101 11.826 -17.769 385 HB3 ALA 46 3HB ALA 46 -6.128 10.440 -17.399 386 H GLY 47 H GLY 47 -3.231 10.540 -20.951 387 HA2 GLY 47 2HA GLY 47 -3.616 11.482 -23.028 388 HA3 GLY 47 3HA GLY 47 -5.325 11.575 -22.627 389 H LYS 48 H LYS 48 -3.734 12.960 -20.113 390 HA LYS 48 HA LYS 48 -4.021 15.646 -21.288 391 HB2 LYS 48 2HB LYS 48 -5.207 14.541 -19.004 392 HB3 LYS 48 3HB LYS 48 -3.953 15.612 -18.394 393 HG2 LYS 48 2HG LYS 48 -5.769 16.628 -20.517 394 HG3 LYS 48 3HG LYS 48 -6.388 16.478 -18.871 395 HD2 LYS 48 2HD LYS 48 -4.597 17.887 -18.039 396 HD3 LYS 48 3HD LYS 48 -3.886 17.976 -19.652 397 HE2 LYS 48 2HE LYS 48 -5.052 19.954 -19.575 398 HE3 LYS 48 3HE LYS 48 -6.247 18.890 -20.313 399 HZ1 LYS 48 3HZ LYS 48 -7.007 20.363 -18.407 400 HZ2 LYS 48 1HZ LYS 48 -6.153 19.315 -17.390 401 HZ3 LYS 48 2HZ LYS 48 -7.432 18.728 -18.328 402 H GLN 49 H GLN 49 -2.331 17.011 -21.266 403 HA GLN 49 HA GLN 49 0.259 16.026 -20.630 404 HB2 GLN 49 2HB GLN 49 -0.800 18.133 -22.148 405 HB3 GLN 49 3HB GLN 49 0.178 18.901 -20.905 406 HG2 GLN 49 2HG GLN 49 1.584 16.665 -22.021 407 HG3 GLN 49 3HG GLN 49 1.042 17.748 -23.302 408 HE21 GLN 49 1HE2 GLN 49 1.798 19.875 -23.344 409 HE22 GLN 49 2HE2 GLN 49 3.208 20.358 -22.470 410 H LEU 50 H LEU 50 1.170 15.938 -18.696 411 HA LEU 50 HA LEU 50 0.035 17.254 -16.426 412 HB2 LEU 50 2HB LEU 50 1.445 15.004 -16.710 413 HB3 LEU 50 3HB LEU 50 2.758 16.096 -16.277 414 HG LEU 50 HG LEU 50 0.286 15.836 -14.587 415 HD11 LEU 50 1HD1 LEU 50 1.283 14.140 -13.301 416 HD12 LEU 50 2HD1 LEU 50 2.835 14.316 -14.119 417 HD13 LEU 50 3HD1 LEU 50 1.461 13.619 -14.976 418 HD21 LEU 50 3HD2 LEU 50 3.078 16.872 -14.148 419 HD22 LEU 50 1HD2 LEU 50 1.942 16.563 -12.834 420 HD23 LEU 50 2HD2 LEU 50 1.560 17.767 -14.065 421 H GLU 51 H GLU 51 0.519 19.180 -15.595 422 HA GLU 51 HA GLU 51 2.605 20.765 -16.849 423 HB2 GLU 51 2HB GLU 51 0.171 21.297 -15.297 424 HB3 GLU 51 3HB GLU 51 1.515 22.359 -14.901 425 HG2 GLU 51 2HG GLU 51 1.657 22.532 -17.544 426 HG3 GLU 51 3HG GLU 51 -0.054 22.131 -17.399 427 H ASP 52 H ASP 52 4.384 21.618 -15.821 428 HA ASP 52 HA ASP 52 5.548 20.099 -13.758 429 HB2 ASP 52 2HB ASP 52 6.373 22.902 -14.512 430 HB3 ASP 52 3HB ASP 52 7.384 21.610 -13.869 431 H GLY 53 H GLY 53 3.410 22.796 -13.697 432 HA2 GLY 53 2HA GLY 53 4.086 23.526 -10.961 433 HA3 GLY 53 3HA GLY 53 2.873 24.291 -11.976 434 H ARG 54 H ARG 54 2.546 20.963 -12.106 435 HA ARG 54 HA ARG 54 0.328 21.078 -10.181 436 HB2 ARG 54 2HB ARG 54 0.816 19.366 -12.613 437 HB3 ARG 54 3HB ARG 54 -0.427 18.980 -11.430 438 HG2 ARG 54 2HG ARG 54 -0.269 21.582 -12.933 439 HG3 ARG 54 3HG ARG 54 -1.263 20.206 -13.414 440 HD2 ARG 54 2HD ARG 54 -2.865 21.125 -12.157 441 HD3 ARG 54 3HD ARG 54 -1.934 20.553 -10.773 442 HE ARG 54 HE ARG 54 -1.405 22.721 -10.291 443 HH11 ARG 54 1HH1 ARG 54 -2.504 22.539 -13.589 444 HH12 ARG 54 2HH1 ARG 54 -2.505 24.256 -13.821 445 HH21 ARG 54 1HH2 ARG 54 -1.402 24.983 -10.583 446 HH22 ARG 54 2HH2 ARG 54 -1.877 25.645 -12.110 447 H THR 55 H THR 55 -0.147 19.049 -9.000 448 HA THR 55 HA THR 55 2.353 17.694 -8.224 449 HB THR 55 HB THR 55 1.487 19.063 -6.406 450 HG1 THR 55 HG1 THR 55 0.721 16.654 -5.366 451 HG21 THR 55 3HG2 THR 55 -0.672 18.968 -5.569 452 HG22 THR 55 1HG2 THR 55 -0.978 17.372 -6.252 453 HG23 THR 55 2HG2 THR 55 -0.945 18.789 -7.301 454 H LEU 56 H LEU 56 2.088 15.477 -7.390 455 HA LEU 56 HA LEU 56 0.803 13.809 -9.207 456 HB2 LEU 56 2HB LEU 56 1.677 13.232 -6.381 457 HB3 LEU 56 3HB LEU 56 1.217 12.005 -7.560 458 HG LEU 56 HG LEU 56 3.439 13.886 -8.216 459 HD11 LEU 56 1HD1 LEU 56 4.405 13.291 -6.253 460 HD12 LEU 56 2HD1 LEU 56 4.848 11.872 -7.201 461 HD13 LEU 56 3HD1 LEU 56 3.465 11.806 -6.109 462 HD21 LEU 56 3HD2 LEU 56 2.473 11.204 -9.045 463 HD22 LEU 56 1HD2 LEU 56 4.206 11.519 -9.124 464 HD23 LEU 56 2HD2 LEU 56 3.083 12.542 -10.020 465 H SER 57 H SER 57 -0.179 14.676 -5.899 466 HA SER 57 HA SER 57 -2.475 13.183 -5.672 467 HB2 SER 57 2HB SER 57 -1.579 14.521 -3.829 468 HB3 SER 57 3HB SER 57 -2.022 16.005 -4.672 469 HG SER 57 HG SER 57 -3.547 14.380 -3.132 470 H ASP 58 H ASP 58 -2.005 16.222 -7.380 471 HA ASP 58 HA ASP 58 -4.717 16.776 -7.915 472 HB2 ASP 58 2HB ASP 58 -3.800 18.640 -8.737 473 HB3 ASP 58 3HB ASP 58 -2.202 17.927 -8.539 474 H TYR 59 H TYR 59 -2.301 14.856 -9.613 475 HA TYR 59 HA TYR 59 -4.155 14.266 -11.776 476 HB2 TYR 59 2HB TYR 59 -1.276 14.094 -11.366 477 HB3 TYR 59 3HB TYR 59 -1.929 12.638 -12.109 478 HD1 TYR 59 HD2 TYR 59 -3.096 16.141 -12.540 479 HD2 TYR 59 HD1 TYR 59 -1.161 12.794 -14.317 480 HE1 TYR 59 HE2 TYR 59 -3.142 17.279 -14.720 481 HE2 TYR 59 HE1 TYR 59 -1.201 13.923 -16.502 482 HH TYR 59 HH TYR 59 -2.162 17.254 -16.831 483 H ASN 60 H ASN 60 -4.100 13.266 -8.772 484 HA ASN 60 HA ASN 60 -4.718 11.397 -7.629 485 HB2 ASN 60 2HB ASN 60 -6.446 11.680 -9.744 486 HB3 ASN 60 3HB ASN 60 -5.899 10.017 -9.937 487 HD21 ASN 60 1HD2 ASN 60 -6.046 8.633 -8.011 488 HD22 ASN 60 2HD2 ASN 60 -7.381 8.864 -6.938 489 H ILE 61 H ILE 61 -2.108 11.338 -8.667 490 HA ILE 61 HA ILE 61 -1.661 8.709 -9.799 491 HB ILE 61 HB ILE 61 0.348 10.756 -8.852 492 HG12 ILE 61 2HG1 ILE 61 -0.545 10.136 -11.673 493 HG13 ILE 61 3HG1 ILE 61 -1.147 11.495 -10.729 494 HG21 ILE 61 1HG2 ILE 61 1.951 9.481 -10.194 495 HG22 ILE 61 2HG2 ILE 61 1.259 8.500 -8.904 496 HG23 ILE 61 3HG2 ILE 61 0.697 8.297 -10.563 497 HD11 ILE 61 3HD1 ILE 61 1.711 11.042 -11.552 498 HD12 ILE 61 1HD1 ILE 61 0.587 12.194 -12.272 499 HD13 ILE 61 2HD1 ILE 61 1.115 12.402 -10.601 500 H GLN 62 H GLN 62 -1.591 6.950 -8.581 501 HA GLN 62 HA GLN 62 -0.314 7.097 -5.945 502 HB2 GLN 62 2HB GLN 62 -2.928 5.686 -6.507 503 HB3 GLN 62 3HB GLN 62 -2.055 5.659 -4.981 504 HG2 GLN 62 2HG GLN 62 -2.844 7.649 -4.353 505 HG3 GLN 62 3HG GLN 62 -2.632 8.348 -5.958 506 HE21 GLN 62 1HE2 GLN 62 -4.207 6.911 -7.545 507 HE22 GLN 62 2HE2 GLN 62 -5.859 7.011 -7.051 508 H LYS 63 H LYS 63 -0.522 4.527 -5.136 509 HA LYS 63 HA LYS 63 1.494 3.210 -6.510 510 HB2 LYS 63 2HB LYS 63 0.986 2.590 -4.252 511 HB3 LYS 63 3HB LYS 63 -0.657 2.135 -4.684 512 HG2 LYS 63 2HG LYS 63 0.549 0.129 -4.396 513 HG3 LYS 63 3HG LYS 63 0.337 0.338 -6.135 514 HD2 LYS 63 2HD LYS 63 2.580 1.019 -6.426 515 HD3 LYS 63 3HD LYS 63 2.814 1.250 -4.691 516 HE2 LYS 63 2HE LYS 63 1.980 -1.451 -5.296 517 HE3 LYS 63 3HE LYS 63 3.438 -1.016 -6.186 518 HZ1 LYS 63 3HZ LYS 63 3.428 -1.914 -3.669 519 HZ2 LYS 63 1HZ LYS 63 3.428 -0.244 -3.397 520 HZ3 LYS 63 2HZ LYS 63 4.656 -0.950 -4.321 521 H GLU 64 H GLU 64 1.551 1.520 -7.987 522 HA GLU 64 HA GLU 64 0.838 0.120 -9.651 523 HB2 GLU 64 2HB GLU 64 -1.278 0.046 -7.936 524 HB3 GLU 64 3HB GLU 64 -2.039 0.693 -9.382 525 HG2 GLU 64 2HG GLU 64 -1.018 -1.245 -10.634 526 HG3 GLU 64 3HG GLU 64 -0.604 -1.923 -9.061 527 H SER 65 H SER 65 0.986 3.195 -9.686 528 HA SER 65 HA SER 65 -0.664 3.801 -12.009 529 HB2 SER 65 2HB SER 65 -0.660 5.583 -10.471 530 HB3 SER 65 3HB SER 65 1.076 5.455 -10.191 531 HG SER 65 HG SER 65 1.444 6.314 -12.218 532 H THR 66 H THR 66 0.090 4.160 -14.043 533 HA THR 66 HA THR 66 2.971 3.716 -14.490 534 HB THR 66 HB THR 66 0.702 2.842 -16.290 535 HG1 THR 66 HG1 THR 66 0.728 1.210 -14.929 536 HG21 THR 66 3HG2 THR 66 2.692 3.455 -17.556 537 HG22 THR 66 1HG2 THR 66 2.472 1.706 -17.571 538 HG23 THR 66 2HG2 THR 66 3.687 2.433 -16.519 539 H LEU 67 H LEU 67 3.985 5.357 -15.427 540 HA LEU 67 HA LEU 67 2.387 7.315 -16.938 541 HB2 LEU 67 2HB LEU 67 3.352 8.304 -14.984 542 HB3 LEU 67 3HB LEU 67 4.937 7.638 -15.370 543 HG LEU 67 HG LEU 67 4.807 9.114 -17.478 544 HD11 LEU 67 1HD1 LEU 67 3.413 11.250 -16.527 545 HD12 LEU 67 2HD1 LEU 67 2.387 9.903 -16.034 546 HD13 LEU 67 3HD1 LEU 67 2.818 10.108 -17.732 547 HD21 LEU 67 3HD2 LEU 67 5.016 10.994 -15.279 548 HD22 LEU 67 1HD2 LEU 67 6.255 10.412 -16.392 549 HD23 LEU 67 2HD2 LEU 67 5.860 9.480 -14.947 550 H HIS 68 H HIS 68 3.205 8.153 -18.880 551 HA HIS 68 HA HIS 68 4.961 6.317 -20.296 552 HB2 HIS 68 2HB HIS 68 3.347 8.686 -21.262 553 HB3 HIS 68 3HB HIS 68 4.298 7.631 -22.303 554 HD1 HIS 68 HD1 HIS 68 1.038 7.912 -20.620 555 HD2 HIS 68 HD2 HIS 68 3.260 4.959 -22.519 556 HE1 HIS 68 HE1 HIS 68 -0.581 6.042 -21.077 557 H LEU 69 H LEU 69 6.925 6.838 -21.182 558 HA LEU 69 HA LEU 69 8.026 9.472 -20.453 559 HB2 LEU 69 2HB LEU 69 9.002 6.770 -19.950 560 HB3 LEU 69 3HB LEU 69 10.204 7.813 -20.707 561 HG LEU 69 HG LEU 69 10.456 7.825 -18.296 562 HD11 LEU 69 1HD1 LEU 69 10.671 10.121 -18.010 563 HD12 LEU 69 2HD1 LEU 69 9.251 10.477 -18.992 564 HD13 LEU 69 3HD1 LEU 69 10.738 9.920 -19.761 565 HD21 LEU 69 3HD2 LEU 69 8.095 7.287 -17.764 566 HD22 LEU 69 1HD2 LEU 69 7.660 8.946 -18.176 567 HD23 LEU 69 2HD2 LEU 69 8.737 8.629 -16.816 568 H VAL 70 H VAL 70 8.886 10.644 -22.051 569 HA VAL 70 HA VAL 70 8.981 9.464 -24.724 570 HB VAL 70 HB VAL 70 7.839 11.723 -24.114 571 HG11 VAL 70 1HG1 VAL 70 9.135 13.635 -23.987 572 HG12 VAL 70 2HG1 VAL 70 10.084 12.479 -23.050 573 HG13 VAL 70 3HG1 VAL 70 10.541 12.856 -24.711 574 HG21 VAL 70 3HG2 VAL 70 9.155 12.535 -26.426 575 HG22 VAL 70 1HG2 VAL 70 9.216 10.773 -26.471 576 HG23 VAL 70 2HG2 VAL 70 7.664 11.598 -26.332 577 H LEU 71 H LEU 71 10.792 9.726 -26.105 578 HA LEU 71 HA LEU 71 13.332 10.106 -24.661 579 HB2 LEU 71 2HB LEU 71 12.375 7.980 -26.348 580 HB3 LEU 71 3HB LEU 71 13.837 8.693 -27.026 581 HG LEU 71 HG LEU 71 14.986 8.273 -24.868 582 HD11 LEU 71 1HD1 LEU 71 12.594 8.122 -23.728 583 HD12 LEU 71 2HD1 LEU 71 14.005 7.293 -23.070 584 HD13 LEU 71 3HD1 LEU 71 12.837 6.404 -24.048 585 HD21 LEU 71 3HD2 LEU 71 14.066 5.584 -25.471 586 HD22 LEU 71 1HD2 LEU 71 15.660 6.308 -25.678 587 HD23 LEU 71 2HD2 LEU 71 14.429 6.518 -26.923 588 H ARG 72 H ARG 72 15.116 10.986 -25.893 589 HA ARG 72 HA ARG 72 14.191 12.844 -27.981 590 HB2 ARG 72 2HB ARG 72 15.007 13.968 -25.974 591 HB3 ARG 72 3HB ARG 72 16.525 13.085 -26.076 592 HG2 ARG 72 2HG ARG 72 16.833 14.179 -28.348 593 HG3 ARG 72 3HG ARG 72 15.500 15.241 -27.891 594 HD2 ARG 72 2HD ARG 72 17.347 16.460 -27.223 595 HD3 ARG 72 3HD ARG 72 16.886 15.634 -25.735 596 HE ARG 72 HE ARG 72 19.211 15.046 -27.409 597 HH11 ARG 72 1HH1 ARG 72 17.304 14.365 -24.577 598 HH12 ARG 72 2HH1 ARG 72 18.549 13.445 -23.799 599 HH21 ARG 72 1HH2 ARG 72 20.858 13.836 -26.396 600 HH22 ARG 72 2HH2 ARG 72 20.571 13.145 -24.835 601 H LEU 73 H LEU 73 14.792 12.323 -29.969 602 HA LEU 73 HA LEU 73 16.911 10.432 -30.449 603 HB2 LEU 73 2HB LEU 73 14.684 10.702 -31.723 604 HB3 LEU 73 3HB LEU 73 15.502 12.014 -32.569 605 HG LEU 73 HG LEU 73 17.244 10.358 -33.275 606 HD11 LEU 73 1HD1 LEU 73 15.627 8.652 -31.556 607 HD12 LEU 73 2HD1 LEU 73 17.276 8.436 -32.143 608 HD13 LEU 73 3HD1 LEU 73 15.911 7.959 -33.153 609 HD21 LEU 73 3HD2 LEU 73 15.917 9.438 -35.059 610 HD22 LEU 73 1HD2 LEU 73 15.359 11.076 -34.716 611 HD23 LEU 73 2HD2 LEU 73 14.433 9.690 -34.139 612 H ARG 74 H ARG 74 18.766 10.809 -31.750 613 HA ARG 74 HA ARG 74 19.663 13.615 -31.715 614 HB2 ARG 74 2HB ARG 74 21.451 11.185 -31.688 615 HB3 ARG 74 3HB ARG 74 21.899 12.855 -31.369 616 HG2 ARG 74 2HG ARG 74 20.648 12.839 -29.304 617 HG3 ARG 74 3HG ARG 74 20.073 11.204 -29.638 618 HD2 ARG 74 2HD ARG 74 21.869 11.011 -28.093 619 HD3 ARG 74 3HD ARG 74 22.471 10.470 -29.660 620 HE ARG 74 HE ARG 74 23.030 13.207 -29.345 621 HH11 ARG 74 1HH1 ARG 74 23.992 10.102 -28.098 622 HH12 ARG 74 2HH1 ARG 74 25.599 10.614 -27.701 623 HH21 ARG 74 1HH2 ARG 74 25.143 13.892 -28.828 624 HH22 ARG 74 2HH2 ARG 74 26.252 12.770 -28.116 625 H GLY 75 H GLY 75 19.433 14.413 -33.713 626 HA2 GLY 75 2HA GLY 75 20.419 14.656 -35.882 627 HA3 GLY 75 3HA GLY 75 20.679 12.918 -35.918 628 H GLY 76 H GLY 76 18.878 15.338 -37.205 629 HA2 GLY 76 2HA GLY 76 17.182 13.671 -38.661 630 HA3 GLY 76 3HA GLY 76 16.273 14.237 -37.268 Start of MODEL 16 1 H1 GLY 0 H GLY 0 1.753 1.454 0.464 2 HA2 GLY 0 2HA GLY 0 4.426 2.612 0.794 3 HA3 GLY 0 3HA GLY 0 3.979 1.354 -0.348 4 H MET 1 H MET 1 1.782 2.519 -1.575 5 HA MET 1 HA MET 1 1.308 3.827 -3.377 6 HB2 MET 1 2HB MET 1 2.719 5.903 -1.692 7 HB3 MET 1 3HB MET 1 1.704 6.250 -3.086 8 HG2 MET 1 2HG MET 1 0.092 6.510 -1.566 9 HG3 MET 1 3HG MET 1 0.022 4.750 -1.592 10 HE1 MET 1 3HE MET 1 -1.225 5.002 0.703 11 HE2 MET 1 1HE MET 1 -0.197 3.568 0.690 12 HE3 MET 1 2HE MET 1 -0.252 4.600 2.119 13 H GLN 2 H GLN 2 3.588 2.268 -3.702 14 HA GLN 2 HA GLN 2 5.698 3.904 -4.807 15 HB2 GLN 2 2HB GLN 2 5.258 1.003 -4.334 16 HB3 GLN 2 3HB GLN 2 6.372 1.446 -5.621 17 HG2 GLN 2 2HG GLN 2 7.040 3.042 -3.409 18 HG3 GLN 2 3HG GLN 2 6.791 1.408 -2.796 19 HE21 GLN 2 1HE2 GLN 2 7.824 -0.312 -4.261 20 HE22 GLN 2 2HE2 GLN 2 9.444 0.015 -4.764 21 H ILE 3 H ILE 3 6.216 4.155 -6.956 22 HA ILE 3 HA ILE 3 4.206 3.200 -8.890 23 HB ILE 3 HB ILE 3 4.731 5.265 -10.218 24 HG12 ILE 3 2HG1 ILE 3 5.762 6.485 -7.685 25 HG13 ILE 3 3HG1 ILE 3 6.875 5.615 -8.735 26 HG21 ILE 3 1HG2 ILE 3 3.648 6.570 -7.931 27 HG22 ILE 3 2HG2 ILE 3 2.813 5.981 -9.368 28 HG23 ILE 3 3HG2 ILE 3 3.039 4.916 -7.982 29 HD11 ILE 3 3HD1 ILE 3 5.116 7.747 -9.859 30 HD12 ILE 3 1HD1 ILE 3 6.596 8.169 -8.998 31 HD13 ILE 3 2HD1 ILE 3 6.672 7.153 -10.439 32 H PHE 4 H PHE 4 5.006 3.049 -11.133 33 HA PHE 4 HA PHE 4 7.895 2.538 -11.297 34 HB2 PHE 4 2HB PHE 4 7.516 0.339 -11.473 35 HB3 PHE 4 3HB PHE 4 5.774 0.592 -11.468 36 HD1 PHE 4 HD2 PHE 4 8.751 0.596 -13.679 37 HD2 PHE 4 HD1 PHE 4 4.518 0.253 -13.399 38 HE1 PHE 4 HE2 PHE 4 8.653 -0.073 -16.044 39 HE2 PHE 4 HE1 PHE 4 4.413 -0.419 -15.764 40 HZ PHE 4 HZ PHE 4 6.482 -0.581 -17.090 41 H VAL 5 H VAL 5 8.828 3.476 -12.992 42 HA VAL 5 HA VAL 5 7.095 4.548 -15.112 43 HB VAL 5 HB VAL 5 9.915 5.357 -14.386 44 HG11 VAL 5 1HG1 VAL 5 9.826 6.058 -16.539 45 HG12 VAL 5 2HG1 VAL 5 8.062 6.107 -16.567 46 HG13 VAL 5 3HG1 VAL 5 8.970 7.414 -15.806 47 HG21 VAL 5 3HG2 VAL 5 8.371 5.968 -12.624 48 HG22 VAL 5 1HG2 VAL 5 8.861 7.410 -13.514 49 HG23 VAL 5 2HG2 VAL 5 7.274 6.694 -13.799 50 H LYS 6 H LYS 6 7.331 3.944 -17.187 51 HA LYS 6 HA LYS 6 9.398 1.939 -17.775 52 HB2 LYS 6 2HB LYS 6 7.193 1.067 -18.119 53 HB3 LYS 6 3HB LYS 6 6.713 2.486 -19.041 54 HG2 LYS 6 2HG LYS 6 8.125 1.867 -20.864 55 HG3 LYS 6 3HG LYS 6 8.850 0.561 -19.924 56 HD2 LYS 6 2HD LYS 6 7.272 -0.451 -21.376 57 HD3 LYS 6 3HD LYS 6 6.541 -0.447 -19.770 58 HE2 LYS 6 2HE LYS 6 5.974 1.931 -21.398 59 HE3 LYS 6 3HE LYS 6 5.316 0.424 -22.034 60 HZ1 LYS 6 3HZ LYS 6 3.772 0.378 -20.455 61 HZ2 LYS 6 1HZ LYS 6 4.198 1.974 -20.087 62 HZ3 LYS 6 2HZ LYS 6 4.886 0.694 -19.221 63 H THR 7 H THR 7 10.708 2.120 -19.572 64 HA THR 7 HA THR 7 10.792 4.799 -20.782 65 HB THR 7 HB THR 7 13.105 3.087 -21.292 66 HG1 THR 7 HG1 THR 7 13.674 2.669 -19.275 67 HG21 THR 7 3HG2 THR 7 12.844 5.603 -21.606 68 HG22 THR 7 1HG2 THR 7 14.318 5.053 -20.810 69 HG23 THR 7 2HG2 THR 7 12.998 5.728 -19.853 70 H LEU 8 H LEU 8 12.330 4.331 -22.985 71 HA LEU 8 HA LEU 8 10.436 2.955 -24.717 72 HB2 LEU 8 2HB LEU 8 11.212 5.225 -25.277 73 HB3 LEU 8 3HB LEU 8 12.859 4.611 -25.409 74 HG LEU 8 HG LEU 8 11.488 5.017 -27.559 75 HD11 LEU 8 1HD1 LEU 8 12.433 2.396 -28.036 76 HD12 LEU 8 2HD1 LEU 8 13.493 3.133 -26.835 77 HD13 LEU 8 3HD1 LEU 8 13.230 3.930 -28.386 78 HD21 LEU 8 3HD2 LEU 8 10.508 2.235 -27.126 79 HD22 LEU 8 1HD2 LEU 8 9.904 3.488 -28.210 80 HD23 LEU 8 2HD2 LEU 8 9.577 3.587 -26.479 81 H THR 9 H THR 9 13.563 2.510 -23.352 82 HA THR 9 HA THR 9 14.408 0.536 -25.292 83 HB THR 9 HB THR 9 16.332 0.190 -23.731 84 HG1 THR 9 HG1 THR 9 16.310 2.181 -22.165 85 HG21 THR 9 3HG2 THR 9 16.434 1.828 -25.566 86 HG22 THR 9 1HG2 THR 9 17.384 2.342 -24.172 87 HG23 THR 9 2HG2 THR 9 15.806 3.068 -24.481 88 H GLY 10 H GLY 10 12.091 0.424 -23.069 89 HA2 GLY 10 2HA GLY 10 10.931 -1.416 -22.265 90 HA3 GLY 10 3HA GLY 10 12.229 -2.449 -22.845 91 H LYS 11 H LYS 11 13.107 0.222 -20.864 92 HA LYS 11 HA LYS 11 13.910 -1.623 -18.754 93 HB2 LYS 11 2HB LYS 11 15.091 0.631 -19.884 94 HB3 LYS 11 3HB LYS 11 14.555 1.176 -18.300 95 HG2 LYS 11 2HG LYS 11 16.039 -1.395 -18.505 96 HG3 LYS 11 3HG LYS 11 16.928 0.124 -18.635 97 HD2 LYS 11 2HD LYS 11 16.751 0.524 -16.443 98 HD3 LYS 11 3HD LYS 11 15.031 0.126 -16.430 99 HE2 LYS 11 2HE LYS 11 15.400 -1.986 -15.745 100 HE3 LYS 11 3HE LYS 11 16.831 -2.172 -16.757 101 HZ1 LYS 11 3HZ LYS 11 16.856 -1.931 -14.073 102 HZ2 LYS 11 1HZ LYS 11 17.179 -0.343 -14.558 103 HZ3 LYS 11 2HZ LYS 11 18.174 -1.605 -15.082 104 H THR 12 H THR 12 12.709 -1.922 -17.008 105 HA THR 12 HA THR 12 10.626 0.036 -16.360 106 HB THR 12 HB THR 12 9.647 -1.727 -14.948 107 HG1 THR 12 HG1 THR 12 10.753 -3.474 -14.480 108 HG21 THR 12 3HG2 THR 12 8.541 -2.461 -16.741 109 HG22 THR 12 1HG2 THR 12 9.947 -3.362 -17.305 110 HG23 THR 12 2HG2 THR 12 9.754 -1.665 -17.743 111 H ILE 13 H ILE 13 10.878 1.383 -14.710 112 HA ILE 13 HA ILE 13 12.781 0.654 -12.579 113 HB ILE 13 HB ILE 13 12.210 3.421 -13.647 114 HG12 ILE 13 2HG1 ILE 13 14.856 1.994 -13.717 115 HG13 ILE 13 3HG1 ILE 13 13.673 1.762 -14.999 116 HG21 ILE 13 1HG2 ILE 13 14.390 3.717 -12.109 117 HG22 ILE 13 2HG2 ILE 13 12.746 3.959 -11.520 118 HG23 ILE 13 3HG2 ILE 13 13.572 2.429 -11.225 119 HD11 ILE 13 3HD1 ILE 13 15.483 3.511 -15.356 120 HD12 ILE 13 1HD1 ILE 13 13.817 3.988 -15.686 121 HD13 ILE 13 2HD1 ILE 13 14.599 4.492 -14.187 122 H THR 14 H THR 14 12.231 1.145 -10.467 123 HA THR 14 HA THR 14 9.437 1.992 -10.052 124 HB THR 14 HB THR 14 9.556 0.644 -7.916 125 HG1 THR 14 HG1 THR 14 11.259 -1.142 -8.314 126 HG21 THR 14 3HG2 THR 14 9.333 -1.569 -9.128 127 HG22 THR 14 1HG2 THR 14 9.755 -0.703 -10.604 128 HG23 THR 14 2HG2 THR 14 8.299 -0.265 -9.711 129 H LEU 15 H LEU 15 8.996 3.471 -8.461 130 HA LEU 15 HA LEU 15 11.173 4.413 -6.759 131 HB2 LEU 15 2HB LEU 15 9.695 6.075 -8.773 132 HB3 LEU 15 3HB LEU 15 10.438 6.797 -7.347 133 HG LEU 15 HG LEU 15 11.999 5.164 -9.335 134 HD11 LEU 15 1HD1 LEU 15 11.060 7.962 -9.489 135 HD12 LEU 15 2HD1 LEU 15 11.465 6.825 -10.775 136 HD13 LEU 15 3HD1 LEU 15 12.748 7.664 -9.904 137 HD21 LEU 15 3HD2 LEU 15 13.867 6.532 -8.370 138 HD22 LEU 15 1HD2 LEU 15 13.121 5.392 -7.250 139 HD23 LEU 15 2HD2 LEU 15 12.726 7.109 -7.153 140 H GLU 16 H GLU 16 10.258 6.248 -5.282 141 HA GLU 16 HA GLU 16 7.524 5.509 -4.468 142 HB2 GLU 16 2HB GLU 16 8.245 5.885 -2.115 143 HB3 GLU 16 3HB GLU 16 9.045 4.522 -2.886 144 HG2 GLU 16 2HG GLU 16 11.009 5.383 -2.371 145 HG3 GLU 16 3HG GLU 16 10.643 6.809 -3.339 146 H VAL 17 H VAL 17 6.145 7.140 -4.035 147 HA VAL 17 HA VAL 17 7.148 9.833 -3.579 148 HB VAL 17 HB VAL 17 6.722 9.284 -6.138 149 HG11 VAL 17 1HG1 VAL 17 4.349 8.557 -5.538 150 HG12 VAL 17 2HG1 VAL 17 4.001 10.276 -5.347 151 HG13 VAL 17 3HG1 VAL 17 4.539 9.652 -6.907 152 HG21 VAL 17 3HG2 VAL 17 5.536 11.862 -5.257 153 HG22 VAL 17 1HG2 VAL 17 7.198 11.508 -4.786 154 HG23 VAL 17 2HG2 VAL 17 6.752 11.540 -6.492 155 H GLU 18 H GLU 18 5.099 11.364 -3.450 156 HA GLU 18 HA GLU 18 2.986 9.932 -1.981 157 HB2 GLU 18 2HB GLU 18 4.766 12.075 -1.077 158 HB3 GLU 18 3HB GLU 18 3.063 12.417 -0.801 159 HG2 GLU 18 2HG GLU 18 2.923 10.133 0.280 160 HG3 GLU 18 3HG GLU 18 4.685 10.116 0.237 161 HA PRO 19 HA PRO 19 -0.018 12.169 -4.262 162 HB2 PRO 19 2HB PRO 19 -1.856 12.853 -2.385 163 HB3 PRO 19 3HB PRO 19 -1.634 11.194 -2.952 164 HG2 PRO 19 2HG PRO 19 -0.594 12.501 -0.468 165 HG3 PRO 19 3HG PRO 19 -1.305 10.889 -0.670 166 HD2 PRO 19 2HD PRO 19 1.367 11.292 -0.506 167 HD3 PRO 19 3HD PRO 19 0.656 9.987 -1.478 168 H SER 20 H SER 20 1.197 13.785 -1.379 169 HA SER 20 HA SER 20 0.275 16.385 -2.242 170 HB2 SER 20 2HB SER 20 2.170 15.704 0.018 171 HB3 SER 20 3HB SER 20 1.304 17.223 -0.214 172 HG SER 20 HG SER 20 0.390 15.589 1.303 173 H ASP 21 H ASP 21 2.727 14.435 -3.210 174 HA ASP 21 HA ASP 21 4.808 16.427 -3.446 175 HB2 ASP 21 2HB ASP 21 4.601 13.561 -3.727 176 HB3 ASP 21 3HB ASP 21 5.408 14.256 -5.130 177 H THR 22 H THR 22 5.202 17.712 -5.140 178 HA THR 22 HA THR 22 3.436 17.460 -7.476 179 HB THR 22 HB THR 22 3.154 19.597 -6.487 180 HG1 THR 22 HG1 THR 22 3.297 19.848 -8.687 181 HG21 THR 22 3HG2 THR 22 4.760 20.364 -5.138 182 HG22 THR 22 1HG2 THR 22 5.607 20.911 -6.584 183 HG23 THR 22 2HG2 THR 22 5.976 19.332 -5.890 184 H ILE 23 H ILE 23 4.276 17.718 -9.586 185 HA ILE 23 HA ILE 23 6.624 16.346 -10.145 186 HB ILE 23 HB ILE 23 5.014 18.272 -11.801 187 HG12 ILE 23 2HG1 ILE 23 4.959 15.852 -13.043 188 HG13 ILE 23 3HG1 ILE 23 5.128 15.355 -11.363 189 HG21 ILE 23 1HG2 ILE 23 7.067 18.576 -12.815 190 HG22 ILE 23 2HG2 ILE 23 7.603 16.935 -12.456 191 HG23 ILE 23 3HG2 ILE 23 6.408 17.215 -13.722 192 HD11 ILE 23 3HD1 ILE 23 2.969 17.127 -12.482 193 HD12 ILE 23 1HD1 ILE 23 2.799 15.437 -12.010 194 HD13 ILE 23 2HD1 ILE 23 3.142 16.663 -10.789 195 H GLU 24 H GLU 24 6.090 19.760 -9.578 196 HA GLU 24 HA GLU 24 8.585 20.684 -10.549 197 HB2 GLU 24 2HB GLU 24 6.579 22.118 -10.126 198 HB3 GLU 24 3HB GLU 24 6.866 21.935 -8.402 199 HG2 GLU 24 2HG GLU 24 9.182 22.864 -9.940 200 HG3 GLU 24 3HG GLU 24 7.807 23.968 -9.921 201 H ASN 25 H ASN 25 7.459 19.747 -7.320 202 HA ASN 25 HA ASN 25 9.942 20.315 -6.037 203 HB2 ASN 25 2HB ASN 25 7.761 20.270 -4.845 204 HB3 ASN 25 3HB ASN 25 7.691 18.528 -5.092 205 HD21 ASN 25 1HD2 ASN 25 7.639 18.177 -2.866 206 HD22 ASN 25 2HD2 ASN 25 9.051 18.343 -1.885 207 H VAL 26 H VAL 26 8.385 17.347 -7.197 208 HA VAL 26 HA VAL 26 10.293 15.513 -6.314 209 HB VAL 26 HB VAL 26 8.543 15.396 -8.773 210 HG11 VAL 26 1HG1 VAL 26 8.910 12.911 -8.550 211 HG12 VAL 26 2HG1 VAL 26 10.296 13.840 -9.127 212 HG13 VAL 26 3HG1 VAL 26 10.237 13.289 -7.452 213 HG21 VAL 26 3HG2 VAL 26 7.010 14.155 -7.446 214 HG22 VAL 26 1HG2 VAL 26 8.159 14.039 -6.113 215 HG23 VAL 26 2HG2 VAL 26 7.435 15.595 -6.520 216 H LYS 27 H LYS 27 10.230 17.566 -9.161 217 HA LYS 27 HA LYS 27 12.320 16.360 -10.597 218 HB2 LYS 27 2HB LYS 27 11.467 17.872 -12.017 219 HB3 LYS 27 3HB LYS 27 10.804 18.840 -10.707 220 HG2 LYS 27 2HG LYS 27 12.960 19.923 -10.396 221 HG3 LYS 27 3HG LYS 27 13.653 18.930 -11.681 222 HD2 LYS 27 2HD LYS 27 12.032 19.912 -13.266 223 HD3 LYS 27 3HD LYS 27 11.427 20.949 -11.972 224 HE2 LYS 27 2HE LYS 27 13.699 21.904 -11.738 225 HE3 LYS 27 3HE LYS 27 14.222 20.926 -13.108 226 HZ1 LYS 27 3HZ LYS 27 13.705 22.849 -14.172 227 HZ2 LYS 27 1HZ LYS 27 12.510 23.296 -13.061 228 HZ3 LYS 27 2HZ LYS 27 12.180 22.117 -14.228 229 H ALA 28 H ALA 28 12.329 18.850 -8.091 230 HA ALA 28 HA ALA 28 15.011 19.603 -8.233 231 HB1 ALA 28 1HB ALA 28 12.855 19.805 -6.252 232 HB2 ALA 28 2HB ALA 28 14.486 19.851 -5.582 233 HB3 ALA 28 3HB ALA 28 14.004 21.020 -6.811 234 H LYS 29 H LYS 29 13.475 16.881 -6.611 235 HA LYS 29 HA LYS 29 15.708 16.040 -5.107 236 HB2 LYS 29 2HB LYS 29 13.437 15.259 -4.635 237 HB3 LYS 29 3HB LYS 29 13.387 14.427 -6.183 238 HG2 LYS 29 2HG LYS 29 14.276 12.624 -5.266 239 HG3 LYS 29 3HG LYS 29 15.691 13.550 -4.763 240 HD2 LYS 29 2HD LYS 29 14.586 14.194 -2.710 241 HD3 LYS 29 3HD LYS 29 13.100 13.393 -3.225 242 HE2 LYS 29 2HE LYS 29 14.198 11.938 -1.694 243 HE3 LYS 29 3HE LYS 29 14.393 11.248 -3.305 244 HZ1 LYS 29 3HZ LYS 29 16.454 12.934 -2.000 245 HZ2 LYS 29 1HZ LYS 29 16.621 11.999 -3.400 246 HZ3 LYS 29 2HZ LYS 29 16.435 11.246 -1.897 247 H ILE 30 H ILE 30 14.654 15.357 -8.394 248 HA ILE 30 HA ILE 30 16.516 13.280 -8.908 249 HB ILE 30 HB ILE 30 15.141 15.134 -10.857 250 HG12 ILE 30 2HG1 ILE 30 14.399 12.295 -10.152 251 HG13 ILE 30 3HG1 ILE 30 13.703 13.686 -9.327 252 HG21 ILE 30 1HG2 ILE 30 17.163 13.127 -11.230 253 HG22 ILE 30 2HG2 ILE 30 15.674 12.660 -12.050 254 HG23 ILE 30 3HG2 ILE 30 16.430 14.211 -12.412 255 HD11 ILE 30 3HD1 ILE 30 12.546 12.535 -11.411 256 HD12 ILE 30 1HD1 ILE 30 12.423 14.267 -11.101 257 HD13 ILE 30 2HD1 ILE 30 13.585 13.662 -12.283 258 H GLN 31 H GLN 31 16.574 16.777 -9.451 259 HA GLN 31 HA GLN 31 19.053 16.825 -10.821 260 HB2 GLN 31 2HB GLN 31 17.631 18.991 -9.265 261 HB3 GLN 31 3HB GLN 31 19.029 19.256 -10.299 262 HG2 GLN 31 2HG GLN 31 17.218 17.896 -11.906 263 HG3 GLN 31 3HG GLN 31 16.238 19.038 -10.988 264 HE21 GLN 31 1HE2 GLN 31 18.843 18.680 -13.271 265 HE22 GLN 31 2HE2 GLN 31 18.850 20.316 -13.824 266 H ASP 32 H ASP 32 18.175 16.761 -7.459 267 HA ASP 32 HA ASP 32 20.756 17.587 -6.496 268 HB2 ASP 32 2HB ASP 32 18.399 17.712 -5.330 269 HB3 ASP 32 3HB ASP 32 18.805 16.083 -4.797 270 H LYS 33 H LYS 33 19.560 14.759 -7.826 271 HA LYS 33 HA LYS 33 21.537 13.099 -6.412 272 HB2 LYS 33 2HB LYS 33 19.226 12.277 -6.285 273 HB3 LYS 33 3HB LYS 33 19.131 12.256 -8.041 274 HG2 LYS 33 2HG LYS 33 19.832 10.159 -7.986 275 HG3 LYS 33 3HG LYS 33 21.392 10.744 -7.402 276 HD2 LYS 33 2HD LYS 33 20.925 10.217 -5.221 277 HD3 LYS 33 3HD LYS 33 19.183 10.404 -5.435 278 HE2 LYS 33 2HE LYS 33 19.201 8.151 -5.371 279 HE3 LYS 33 3HE LYS 33 19.648 8.310 -7.069 280 HZ1 LYS 33 3HZ LYS 33 21.801 8.340 -5.093 281 HZ2 LYS 33 1HZ LYS 33 21.782 7.705 -6.662 282 HZ3 LYS 33 2HZ LYS 33 21.045 6.857 -5.397 283 H GLU 34 H GLU 34 20.364 14.071 -9.589 284 HA GLU 34 HA GLU 34 22.850 12.995 -10.749 285 HB2 GLU 34 2HB GLU 34 20.173 12.322 -11.412 286 HB3 GLU 34 3HB GLU 34 20.826 13.251 -12.754 287 HG2 GLU 34 2HG GLU 34 21.429 11.146 -13.377 288 HG3 GLU 34 3HG GLU 34 22.865 11.632 -12.479 289 H GLY 35 H GLY 35 20.424 15.537 -10.768 290 HA2 GLY 35 2HA GLY 35 20.756 17.796 -11.208 291 HA3 GLY 35 3HA GLY 35 22.396 17.427 -11.721 292 H ILE 36 H ILE 36 19.748 15.644 -13.068 293 HA ILE 36 HA ILE 36 20.346 16.778 -15.684 294 HB ILE 36 HB ILE 36 18.748 14.968 -16.481 295 HG12 ILE 36 2HG1 ILE 36 19.190 13.524 -13.933 296 HG13 ILE 36 3HG1 ILE 36 17.986 14.807 -13.892 297 HG21 ILE 36 1HG2 ILE 36 21.325 14.361 -15.065 298 HG22 ILE 36 2HG2 ILE 36 20.452 13.140 -15.989 299 HG23 ILE 36 3HG2 ILE 36 21.045 14.595 -16.790 300 HD11 ILE 36 3HD1 ILE 36 17.997 12.292 -15.509 301 HD12 ILE 36 1HD1 ILE 36 16.771 12.894 -14.394 302 HD13 ILE 36 2HD1 ILE 36 16.996 13.671 -15.961 303 HA PRO 37 HA PRO 37 16.773 19.450 -15.120 304 HB2 PRO 37 2HB PRO 37 17.254 20.938 -17.340 305 HB3 PRO 37 3HB PRO 37 18.115 21.182 -15.815 306 HG2 PRO 37 2HG PRO 37 18.984 19.698 -18.266 307 HG3 PRO 37 3HG PRO 37 19.913 20.808 -17.241 308 HD2 PRO 37 2HD PRO 37 20.135 18.116 -17.048 309 HD3 PRO 37 3HD PRO 37 20.326 19.193 -15.650 310 HA PRO 38 HA PRO 38 14.197 17.003 -17.854 311 HB2 PRO 38 2HB PRO 38 11.840 17.938 -16.883 312 HB3 PRO 38 3HB PRO 38 12.804 16.713 -16.049 313 HG2 PRO 38 2HG PRO 38 12.634 19.658 -15.541 314 HG3 PRO 38 3HG PRO 38 12.658 18.321 -14.376 315 HD2 PRO 38 2HD PRO 38 14.853 19.805 -14.936 316 HD3 PRO 38 3HD PRO 38 14.948 18.086 -14.502 317 H ASP 39 H ASP 39 15.390 19.502 -18.766 318 HA ASP 39 HA ASP 39 13.266 21.101 -19.878 319 HB2 ASP 39 2HB ASP 39 16.264 21.121 -20.125 320 HB3 ASP 39 3HB ASP 39 15.261 22.127 -21.167 321 H GLN 40 H GLN 40 15.108 18.343 -20.830 322 HA GLN 40 HA GLN 40 14.026 18.546 -23.562 323 HB2 GLN 40 2HB GLN 40 15.833 17.031 -24.249 324 HB3 GLN 40 3HB GLN 40 16.463 18.501 -23.518 325 HG2 GLN 40 2HG GLN 40 16.309 16.869 -21.359 326 HG3 GLN 40 3HG GLN 40 16.673 15.715 -22.641 327 HE21 GLN 40 1HE2 GLN 40 17.685 18.990 -21.708 328 HE22 GLN 40 2HE2 GLN 40 19.379 18.700 -21.887 329 H GLN 41 H GLN 41 13.650 16.986 -20.642 330 HA GLN 41 HA GLN 41 12.853 14.419 -21.738 331 HB2 GLN 41 2HB GLN 41 12.881 15.538 -18.936 332 HB3 GLN 41 3HB GLN 41 12.239 13.947 -19.324 333 HG2 GLN 41 2HG GLN 41 14.732 13.948 -20.507 334 HG3 GLN 41 3HG GLN 41 14.982 14.817 -18.993 335 HE21 GLN 41 1HE2 GLN 41 16.320 12.983 -18.438 336 HE22 GLN 41 2HE2 GLN 41 15.584 11.559 -17.792 337 H ARG 42 H ARG 42 10.821 13.786 -22.162 338 HA ARG 42 HA ARG 42 8.623 15.571 -21.351 339 HB2 ARG 42 2HB ARG 42 9.416 15.500 -23.873 340 HB3 ARG 42 3HB ARG 42 8.448 14.032 -23.904 341 HG2 ARG 42 2HG ARG 42 6.904 15.580 -24.563 342 HG3 ARG 42 3HG ARG 42 6.629 15.570 -22.820 343 HD2 ARG 42 2HD ARG 42 8.709 17.435 -23.492 344 HD3 ARG 42 3HD ARG 42 7.265 17.765 -24.447 345 HE ARG 42 HE ARG 42 6.281 17.478 -21.952 346 HH11 ARG 42 1HH1 ARG 42 8.875 19.387 -23.275 347 HH12 ARG 42 2HH1 ARG 42 8.704 20.661 -22.113 348 HH21 ARG 42 1HH2 ARG 42 6.046 19.149 -20.417 349 HH22 ARG 42 2HH2 ARG 42 7.095 20.524 -20.488 350 H LEU 43 H LEU 43 7.230 14.566 -20.074 351 HA LEU 43 HA LEU 43 7.043 11.639 -20.195 352 HB2 LEU 43 2HB LEU 43 6.077 13.521 -18.048 353 HB3 LEU 43 3HB LEU 43 6.084 11.760 -17.971 354 HG LEU 43 HG LEU 43 7.908 12.330 -16.674 355 HD11 LEU 43 1HD1 LEU 43 9.113 12.089 -19.425 356 HD12 LEU 43 2HD1 LEU 43 8.508 10.737 -18.468 357 HD13 LEU 43 3HD1 LEU 43 9.880 11.682 -17.889 358 HD21 LEU 43 3HD2 LEU 43 7.721 14.785 -17.627 359 HD22 LEU 43 1HD2 LEU 43 9.094 14.258 -18.601 360 HD23 LEU 43 2HD2 LEU 43 9.192 14.211 -16.840 361 H ILE 44 H ILE 44 5.169 10.607 -20.652 362 HA ILE 44 HA ILE 44 2.757 12.248 -21.041 363 HB ILE 44 HB ILE 44 3.683 10.049 -22.894 364 HG12 ILE 44 2HG1 ILE 44 3.514 13.038 -23.341 365 HG13 ILE 44 3HG1 ILE 44 5.002 12.123 -23.121 366 HG21 ILE 44 1HG2 ILE 44 1.770 10.645 -24.259 367 HG22 ILE 44 2HG2 ILE 44 1.242 10.190 -22.640 368 HG23 ILE 44 3HG2 ILE 44 1.304 11.891 -23.101 369 HD11 ILE 44 3HD1 ILE 44 4.069 10.765 -25.169 370 HD12 ILE 44 1HD1 ILE 44 3.186 12.263 -25.462 371 HD13 ILE 44 2HD1 ILE 44 4.948 12.277 -25.388 372 H PHE 45 H PHE 45 0.838 11.330 -20.449 373 HA PHE 45 HA PHE 45 0.622 8.520 -19.862 374 HB2 PHE 45 2HB PHE 45 1.682 9.183 -17.808 375 HB3 PHE 45 3HB PHE 45 0.594 10.556 -17.631 376 HD1 PHE 45 HD1 PHE 45 0.692 6.851 -17.687 377 HD2 PHE 45 HD2 PHE 45 -1.414 10.343 -16.467 378 HE1 PHE 45 HE1 PHE 45 -0.838 5.458 -16.355 379 HE2 PHE 45 HE2 PHE 45 -2.947 8.956 -15.133 380 HZ PHE 45 HZ PHE 45 -2.660 6.511 -15.075 381 H ALA 46 H ALA 46 -1.441 7.837 -20.038 382 HA ALA 46 HA ALA 46 -3.689 7.864 -20.397 383 HB1 ALA 46 1HB ALA 46 -3.405 9.293 -18.173 384 HB2 ALA 46 2HB ALA 46 -4.045 10.561 -19.220 385 HB3 ALA 46 3HB ALA 46 -4.967 9.079 -18.965 386 H GLY 47 H GLY 47 -1.663 9.366 -22.149 387 HA2 GLY 47 2HA GLY 47 -1.861 10.266 -24.271 388 HA3 GLY 47 3HA GLY 47 -3.605 10.303 -24.053 389 H LYS 48 H LYS 48 -2.364 11.771 -21.402 390 HA LYS 48 HA LYS 48 -2.633 14.431 -22.634 391 HB2 LYS 48 2HB LYS 48 -4.004 13.325 -20.492 392 HB3 LYS 48 3HB LYS 48 -2.798 14.348 -19.723 393 HG2 LYS 48 2HG LYS 48 -4.863 15.564 -20.060 394 HG3 LYS 48 3HG LYS 48 -3.572 16.254 -21.046 395 HD2 LYS 48 2HD LYS 48 -4.790 14.284 -22.632 396 HD3 LYS 48 3HD LYS 48 -6.107 15.171 -21.861 397 HE2 LYS 48 2HE LYS 48 -5.518 17.169 -22.854 398 HE3 LYS 48 3HE LYS 48 -3.842 16.678 -23.090 399 HZ1 LYS 48 3HZ LYS 48 -4.906 16.689 -25.197 400 HZ2 LYS 48 1HZ LYS 48 -6.210 15.773 -24.630 401 HZ3 LYS 48 2HZ LYS 48 -4.679 15.068 -24.771 402 H GLN 49 H GLN 49 -0.987 15.835 -22.540 403 HA GLN 49 HA GLN 49 1.573 14.976 -21.672 404 HB2 GLN 49 2HB GLN 49 0.547 17.671 -22.561 405 HB3 GLN 49 3HB GLN 49 2.236 17.356 -22.187 406 HG2 GLN 49 2HG GLN 49 2.602 16.350 -24.141 407 HG3 GLN 49 3HG GLN 49 1.089 15.447 -24.067 408 HE21 GLN 49 1HE2 GLN 49 2.246 18.770 -24.528 409 HE22 GLN 49 2HE2 GLN 49 1.121 19.170 -25.777 410 H LEU 50 H LEU 50 2.290 14.911 -19.657 411 HA LEU 50 HA LEU 50 0.943 16.159 -17.492 412 HB2 LEU 50 2HB LEU 50 1.987 14.329 -16.694 413 HB3 LEU 50 3HB LEU 50 3.299 14.440 -17.864 414 HG LEU 50 HG LEU 50 3.295 16.465 -15.711 415 HD11 LEU 50 1HD1 LEU 50 4.629 14.450 -14.472 416 HD12 LEU 50 2HD1 LEU 50 3.266 13.583 -15.177 417 HD13 LEU 50 3HD1 LEU 50 2.979 14.945 -14.094 418 HD21 LEU 50 3HD2 LEU 50 5.745 15.128 -15.957 419 HD22 LEU 50 1HD2 LEU 50 5.313 16.713 -16.599 420 HD23 LEU 50 2HD2 LEU 50 5.105 15.272 -17.595 421 H GLU 51 H GLU 51 1.104 18.177 -16.791 422 HA GLU 51 HA GLU 51 3.196 19.901 -17.831 423 HB2 GLU 51 2HB GLU 51 0.506 20.253 -16.977 424 HB3 GLU 51 3HB GLU 51 1.526 21.252 -15.951 425 HG2 GLU 51 2HG GLU 51 1.317 22.760 -17.581 426 HG3 GLU 51 3HG GLU 51 2.551 21.804 -18.398 427 H ASP 52 H ASP 52 4.743 20.944 -16.627 428 HA ASP 52 HA ASP 52 5.696 19.628 -14.316 429 HB2 ASP 52 2HB ASP 52 6.441 22.312 -15.495 430 HB3 ASP 52 3HB ASP 52 7.329 21.510 -14.203 431 H GLY 53 H GLY 53 3.448 22.193 -14.773 432 HA2 GLY 53 2HA GLY 53 3.695 23.146 -12.028 433 HA3 GLY 53 3HA GLY 53 2.632 23.799 -13.266 434 H ARG 54 H ARG 54 2.383 20.474 -13.247 435 HA ARG 54 HA ARG 54 -0.148 20.637 -11.789 436 HB2 ARG 54 2HB ARG 54 0.972 18.668 -13.772 437 HB3 ARG 54 3HB ARG 54 -0.457 18.303 -12.814 438 HG2 ARG 54 2HG ARG 54 -0.440 20.868 -14.291 439 HG3 ARG 54 3HG ARG 54 -0.588 19.384 -15.235 440 HD2 ARG 54 2HD ARG 54 -2.782 20.270 -14.649 441 HD3 ARG 54 3HD ARG 54 -2.504 18.708 -13.880 442 HE ARG 54 HE ARG 54 -2.560 19.737 -11.826 443 HH11 ARG 54 1HH1 ARG 54 -2.353 22.141 -14.335 444 HH12 ARG 54 2HH1 ARG 54 -2.655 23.471 -13.266 445 HH21 ARG 54 1HH2 ARG 54 -2.958 21.479 -10.408 446 HH22 ARG 54 2HH2 ARG 54 -2.998 23.093 -11.033 447 H THR 55 H THR 55 -0.748 18.983 -10.276 448 HA THR 55 HA THR 55 1.564 17.997 -8.761 449 HB THR 55 HB THR 55 -1.209 17.878 -7.660 450 HG1 THR 55 HG1 THR 55 0.235 20.208 -8.265 451 HG21 THR 55 3HG2 THR 55 -0.107 18.206 -5.573 452 HG22 THR 55 1HG2 THR 55 1.391 18.691 -6.367 453 HG23 THR 55 2HG2 THR 55 0.840 17.018 -6.469 454 H LEU 56 H LEU 56 1.527 15.865 -7.855 455 HA LEU 56 HA LEU 56 0.867 13.849 -9.663 456 HB2 LEU 56 2HB LEU 56 1.546 13.846 -6.746 457 HB3 LEU 56 3HB LEU 56 1.126 12.348 -7.575 458 HG LEU 56 HG LEU 56 3.428 14.159 -8.303 459 HD11 LEU 56 1HD1 LEU 56 3.155 11.917 -6.428 460 HD12 LEU 56 2HD1 LEU 56 4.353 13.209 -6.492 461 HD13 LEU 56 3HD1 LEU 56 4.517 11.801 -7.541 462 HD21 LEU 56 3HD2 LEU 56 2.464 11.525 -9.394 463 HD22 LEU 56 1HD2 LEU 56 4.095 12.141 -9.661 464 HD23 LEU 56 2HD2 LEU 56 2.704 13.043 -10.262 465 H SER 57 H SER 57 -0.794 14.820 -6.671 466 HA SER 57 HA SER 57 -2.852 12.927 -6.779 467 HB2 SER 57 2HB SER 57 -2.662 14.040 -4.731 468 HB3 SER 57 3HB SER 57 -2.589 15.630 -5.491 469 HG SER 57 HG SER 57 -4.751 15.581 -5.825 470 H ASP 58 H ASP 58 -2.453 16.004 -8.390 471 HA ASP 58 HA ASP 58 -5.128 16.343 -9.242 472 HB2 ASP 58 2HB ASP 58 -3.225 18.066 -9.234 473 HB3 ASP 58 3HB ASP 58 -2.719 17.336 -10.755 474 H TYR 59 H TYR 59 -2.466 14.454 -10.446 475 HA TYR 59 HA TYR 59 -3.771 13.912 -12.981 476 HB2 TYR 59 2HB TYR 59 -1.108 13.753 -11.981 477 HB3 TYR 59 3HB TYR 59 -1.579 12.146 -12.522 478 HD1 TYR 59 HD2 TYR 59 -2.198 11.763 -14.877 479 HD2 TYR 59 HD1 TYR 59 -0.775 15.544 -13.542 480 HE1 TYR 59 HE2 TYR 59 -1.760 12.415 -17.208 481 HE2 TYR 59 HE1 TYR 59 -0.334 16.207 -15.869 482 HH TYR 59 HH TYR 59 -0.477 13.953 -18.480 483 H ASN 60 H ASN 60 -4.131 12.814 -9.891 484 HA ASN 60 HA ASN 60 -5.168 11.023 -8.949 485 HB2 ASN 60 2HB ASN 60 -6.379 11.383 -11.498 486 HB3 ASN 60 3HB ASN 60 -6.205 9.651 -11.232 487 HD21 ASN 60 1HD2 ASN 60 -7.148 8.736 -9.337 488 HD22 ASN 60 2HD2 ASN 60 -8.511 9.493 -8.591 489 H ILE 61 H ILE 61 -2.426 10.777 -9.747 490 HA ILE 61 HA ILE 61 -1.969 8.227 -10.937 491 HB ILE 61 HB ILE 61 -0.173 10.046 -9.338 492 HG12 ILE 61 2HG1 ILE 61 0.349 9.376 -12.174 493 HG13 ILE 61 3HG1 ILE 61 -1.080 10.355 -11.867 494 HG21 ILE 61 1HG2 ILE 61 1.018 8.174 -8.948 495 HG22 ILE 61 2HG2 ILE 61 0.228 7.276 -10.243 496 HG23 ILE 61 3HG2 ILE 61 1.537 8.396 -10.618 497 HD11 ILE 61 3HD1 ILE 61 1.778 10.994 -11.218 498 HD12 ILE 61 1HD1 ILE 61 0.679 11.855 -12.296 499 HD13 ILE 61 2HD1 ILE 61 0.418 11.897 -10.551 500 H GLN 62 H GLN 62 -2.976 6.577 -9.879 501 HA GLN 62 HA GLN 62 -2.753 6.308 -7.004 502 HB2 GLN 62 2HB GLN 62 -4.665 5.549 -8.795 503 HB3 GLN 62 3HB GLN 62 -3.809 4.034 -8.545 504 HG2 GLN 62 2HG GLN 62 -4.898 3.723 -6.653 505 HG3 GLN 62 3HG GLN 62 -4.221 5.217 -6.008 506 HE21 GLN 62 1HE2 GLN 62 -5.387 7.192 -6.408 507 HE22 GLN 62 2HE2 GLN 62 -7.104 7.151 -6.593 508 H LYS 63 H LYS 63 -2.458 3.700 -6.505 509 HA LYS 63 HA LYS 63 0.349 3.295 -6.905 510 HB2 LYS 63 2HB LYS 63 -0.007 1.233 -5.572 511 HB3 LYS 63 3HB LYS 63 -0.645 2.674 -4.791 512 HG2 LYS 63 2HG LYS 63 -2.707 1.528 -6.377 513 HG3 LYS 63 3HG LYS 63 -1.980 0.257 -5.391 514 HD2 LYS 63 2HD LYS 63 -2.245 1.770 -3.410 515 HD3 LYS 63 3HD LYS 63 -3.164 2.865 -4.445 516 HE2 LYS 63 2HE LYS 63 -5.000 1.595 -4.329 517 HE3 LYS 63 3HE LYS 63 -4.091 0.110 -4.607 518 HZ1 LYS 63 3HZ LYS 63 -4.529 1.503 -2.028 519 HZ2 LYS 63 1HZ LYS 63 -3.398 0.261 -2.223 520 HZ3 LYS 63 2HZ LYS 63 -5.042 -0.048 -2.467 521 H GLU 64 H GLU 64 1.384 1.679 -8.059 522 HA GLU 64 HA GLU 64 1.691 0.034 -9.619 523 HB2 GLU 64 2HB GLU 64 -0.485 -0.887 -8.479 524 HB3 GLU 64 3HB GLU 64 -1.259 -0.341 -9.960 525 HG2 GLU 64 2HG GLU 64 -0.777 -2.415 -10.659 526 HG3 GLU 64 3HG GLU 64 0.802 -1.711 -10.999 527 H SER 65 H SER 65 1.147 2.898 -10.151 528 HA SER 65 HA SER 65 -0.128 2.892 -12.762 529 HB2 SER 65 2HB SER 65 0.692 4.937 -10.797 530 HB3 SER 65 3HB SER 65 0.861 5.412 -12.487 531 HG SER 65 HG SER 65 -1.508 4.148 -11.890 532 H THR 66 H THR 66 0.888 3.146 -14.697 533 HA THR 66 HA THR 66 3.836 3.141 -14.648 534 HB THR 66 HB THR 66 3.043 0.985 -15.402 535 HG1 THR 66 HG1 THR 66 3.765 2.313 -17.791 536 HG21 THR 66 3HG2 THR 66 1.597 2.362 -17.656 537 HG22 THR 66 1HG2 THR 66 0.793 1.880 -16.163 538 HG23 THR 66 2HG2 THR 66 1.533 0.660 -17.199 539 H LEU 67 H LEU 67 4.762 4.844 -15.566 540 HA LEU 67 HA LEU 67 3.192 6.433 -17.483 541 HB2 LEU 67 2HB LEU 67 5.429 7.214 -15.625 542 HB3 LEU 67 3HB LEU 67 4.788 8.274 -16.879 543 HG LEU 67 HG LEU 67 2.511 7.735 -15.588 544 HD11 LEU 67 1HD1 LEU 67 2.716 6.934 -13.526 545 HD12 LEU 67 2HD1 LEU 67 4.008 8.069 -13.141 546 HD13 LEU 67 3HD1 LEU 67 4.387 6.536 -13.925 547 HD21 LEU 67 3HD2 LEU 67 2.768 9.953 -15.653 548 HD22 LEU 67 1HD2 LEU 67 4.521 9.846 -15.489 549 HD23 LEU 67 2HD2 LEU 67 3.496 9.787 -14.055 550 H HIS 68 H HIS 68 4.205 7.252 -19.351 551 HA HIS 68 HA HIS 68 6.308 5.527 -20.369 552 HB2 HIS 68 2HB HIS 68 4.439 7.529 -21.597 553 HB3 HIS 68 3HB HIS 68 5.857 6.982 -22.486 554 HD1 HIS 68 HD1 HIS 68 2.410 6.131 -21.847 555 HD2 HIS 68 HD2 HIS 68 5.869 4.035 -22.794 556 HE1 HIS 68 HE1 HIS 68 1.630 3.896 -22.696 557 H LEU 69 H LEU 69 8.343 6.159 -20.949 558 HA LEU 69 HA LEU 69 9.119 8.901 -20.198 559 HB2 LEU 69 2HB LEU 69 9.987 6.617 -19.029 560 HB3 LEU 69 3HB LEU 69 11.208 6.830 -20.282 561 HG LEU 69 HG LEU 69 12.084 7.823 -18.332 562 HD11 LEU 69 1HD1 LEU 69 10.910 10.159 -19.811 563 HD12 LEU 69 2HD1 LEU 69 12.186 9.148 -20.490 564 HD13 LEU 69 3HD1 LEU 69 12.472 10.045 -18.999 565 HD21 LEU 69 3HD2 LEU 69 10.505 9.844 -17.449 566 HD22 LEU 69 1HD2 LEU 69 10.558 8.232 -16.736 567 HD23 LEU 69 2HD2 LEU 69 9.297 8.639 -17.900 568 H VAL 70 H VAL 70 10.236 10.104 -21.634 569 HA VAL 70 HA VAL 70 11.024 8.807 -24.163 570 HB VAL 70 HB VAL 70 9.969 11.616 -23.806 571 HG11 VAL 70 1HG1 VAL 70 9.899 11.413 -26.384 572 HG12 VAL 70 2HG1 VAL 70 11.438 11.769 -25.596 573 HG13 VAL 70 3HG1 VAL 70 11.088 10.132 -26.152 574 HG21 VAL 70 3HG2 VAL 70 7.933 10.928 -24.616 575 HG22 VAL 70 1HG2 VAL 70 8.613 9.524 -25.439 576 HG23 VAL 70 2HG2 VAL 70 8.408 9.506 -23.687 577 H LEU 71 H LEU 71 12.913 9.525 -25.170 578 HA LEU 71 HA LEU 71 14.685 11.141 -23.457 579 HB2 LEU 71 2HB LEU 71 15.248 8.779 -25.221 580 HB3 LEU 71 3HB LEU 71 16.526 9.883 -24.718 581 HG LEU 71 HG LEU 71 14.941 8.885 -22.483 582 HD11 LEU 71 1HD1 LEU 71 15.347 6.638 -22.587 583 HD12 LEU 71 2HD1 LEU 71 16.711 6.820 -23.689 584 HD13 LEU 71 3HD1 LEU 71 15.062 6.980 -24.294 585 HD21 LEU 71 3HD2 LEU 71 17.079 8.618 -21.484 586 HD22 LEU 71 1HD2 LEU 71 17.133 10.113 -22.418 587 HD23 LEU 71 2HD2 LEU 71 17.889 8.650 -23.051 588 H ARG 72 H ARG 72 16.106 12.608 -24.456 589 HA ARG 72 HA ARG 72 15.276 13.403 -27.166 590 HB2 ARG 72 2HB ARG 72 15.076 14.940 -25.016 591 HB3 ARG 72 3HB ARG 72 16.769 15.257 -25.367 592 HG2 ARG 72 2HG ARG 72 15.621 16.967 -26.452 593 HG3 ARG 72 3HG ARG 72 15.991 15.813 -27.735 594 HD2 ARG 72 2HD ARG 72 13.504 15.079 -26.581 595 HD3 ARG 72 3HD ARG 72 13.459 16.811 -26.910 596 HE ARG 72 HE ARG 72 14.497 15.515 -29.160 597 HH11 ARG 72 1HH1 ARG 72 11.510 15.767 -27.388 598 HH12 ARG 72 2HH1 ARG 72 10.512 15.476 -28.774 599 HH21 ARG 72 1HH2 ARG 72 13.193 15.130 -30.992 600 HH22 ARG 72 2HH2 ARG 72 11.470 15.113 -30.823 601 H LEU 73 H LEU 73 16.677 12.871 -28.696 602 HA LEU 73 HA LEU 73 19.437 12.300 -28.066 603 HB2 LEU 73 2HB LEU 73 17.584 11.674 -30.169 604 HB3 LEU 73 3HB LEU 73 19.080 12.308 -30.852 605 HG LEU 73 HG LEU 73 19.099 10.066 -28.855 606 HD11 LEU 73 1HD1 LEU 73 19.444 8.783 -31.190 607 HD12 LEU 73 2HD1 LEU 73 18.275 10.007 -31.685 608 HD13 LEU 73 3HD1 LEU 73 17.891 8.904 -30.363 609 HD21 LEU 73 3HD2 LEU 73 21.026 11.425 -30.615 610 HD22 LEU 73 1HD2 LEU 73 21.143 9.665 -30.575 611 HD23 LEU 73 2HD2 LEU 73 21.276 10.592 -29.080 612 H ARG 74 H ARG 74 21.246 13.306 -29.075 613 HA ARG 74 HA ARG 74 20.730 16.099 -29.859 614 HB2 ARG 74 2HB ARG 74 23.084 14.883 -28.410 615 HB3 ARG 74 3HB ARG 74 23.072 16.524 -29.040 616 HG2 ARG 74 2HG ARG 74 21.489 17.240 -27.500 617 HG3 ARG 74 3HG ARG 74 20.944 15.597 -27.154 618 HD2 ARG 74 2HD ARG 74 23.766 16.342 -26.550 619 HD3 ARG 74 3HD ARG 74 22.489 16.903 -25.472 620 HE ARG 74 HE ARG 74 23.530 14.267 -25.646 621 HH11 ARG 74 1HH1 ARG 74 20.597 16.054 -25.083 622 HH12 ARG 74 2HH1 ARG 74 19.870 14.812 -24.118 623 HH21 ARG 74 1HH2 ARG 74 22.585 12.623 -24.378 624 HH22 ARG 74 2HH2 ARG 74 21.002 12.861 -23.717 625 H GLY 75 H GLY 75 20.921 16.320 -31.992 626 HA2 GLY 75 2HA GLY 75 22.685 16.547 -33.731 627 HA3 GLY 75 3HA GLY 75 23.139 14.897 -33.331 628 H GLY 76 H GLY 76 21.335 16.834 -35.388 629 HA2 GLY 76 2HA GLY 76 20.545 14.841 -37.110 630 HA3 GLY 76 3HA GLY 76 19.206 15.020 -35.986 Start of MODEL 17 1 H1 GLY 0 H GLY 0 5.787 6.960 2.322 2 HA2 GLY 0 2HA GLY 0 6.269 4.568 1.657 3 HA3 GLY 0 3HA GLY 0 4.606 4.259 2.133 4 H MET 1 H MET 1 3.064 4.427 0.630 5 HA MET 1 HA MET 1 2.120 4.645 -1.432 6 HB2 MET 1 2HB MET 1 3.624 7.267 -1.380 7 HB3 MET 1 3HB MET 1 2.279 6.879 -2.444 8 HG2 MET 1 2HG MET 1 0.788 7.423 -0.899 9 HG3 MET 1 3HG MET 1 1.590 6.436 0.322 10 HE1 MET 1 3HE MET 1 1.545 9.458 2.528 11 HE2 MET 1 1HE MET 1 0.214 9.243 1.391 12 HE3 MET 1 2HE MET 1 0.954 7.838 2.157 13 H GLN 2 H GLN 2 3.319 2.910 -2.351 14 HA GLN 2 HA GLN 2 5.719 3.578 -3.860 15 HB2 GLN 2 2HB GLN 2 4.403 1.079 -2.954 16 HB3 GLN 2 3HB GLN 2 5.305 0.991 -4.461 17 HG2 GLN 2 2HG GLN 2 6.850 2.377 -2.490 18 HG3 GLN 2 3HG GLN 2 6.295 0.832 -1.845 19 HE21 GLN 2 1HE2 GLN 2 7.141 -1.036 -2.621 20 HE22 GLN 2 2HE2 GLN 2 8.420 -1.106 -3.780 21 H ILE 3 H ILE 3 5.787 3.882 -6.001 22 HA ILE 3 HA ILE 3 3.340 3.319 -7.546 23 HB ILE 3 HB ILE 3 5.271 5.485 -8.307 24 HG12 ILE 3 2HG1 ILE 3 4.564 5.948 -5.995 25 HG13 ILE 3 3HG1 ILE 3 3.874 7.110 -7.123 26 HG21 ILE 3 1HG2 ILE 3 3.003 6.387 -9.203 27 HG22 ILE 3 2HG2 ILE 3 3.829 5.091 -10.066 28 HG23 ILE 3 3HG2 ILE 3 2.470 4.718 -9.006 29 HD11 ILE 3 3HD1 ILE 3 2.335 6.265 -5.332 30 HD12 ILE 3 1HD1 ILE 3 1.740 6.112 -6.985 31 HD13 ILE 3 2HD1 ILE 3 2.379 4.700 -6.143 32 H PHE 4 H PHE 4 3.708 2.994 -9.883 33 HA PHE 4 HA PHE 4 6.342 1.798 -10.436 34 HB2 PHE 4 2HB PHE 4 3.676 0.586 -10.551 35 HB3 PHE 4 3HB PHE 4 4.609 0.370 -12.029 36 HD1 PHE 4 HD1 PHE 4 7.254 -0.135 -11.345 37 HD2 PHE 4 HD2 PHE 4 3.763 -1.229 -9.168 38 HE1 PHE 4 HE1 PHE 4 8.492 -1.983 -10.294 39 HE2 PHE 4 HE2 PHE 4 4.997 -3.078 -8.113 40 HZ PHE 4 HZ PHE 4 7.364 -3.457 -8.675 41 H VAL 5 H VAL 5 7.273 2.347 -12.321 42 HA VAL 5 HA VAL 5 5.745 4.113 -14.109 43 HB VAL 5 HB VAL 5 8.746 3.824 -13.939 44 HG11 VAL 5 1HG1 VAL 5 8.824 5.129 -15.733 45 HG12 VAL 5 2HG1 VAL 5 7.067 5.024 -15.855 46 HG13 VAL 5 3HG1 VAL 5 7.811 6.335 -14.939 47 HG21 VAL 5 3HG2 VAL 5 8.685 5.037 -12.078 48 HG22 VAL 5 1HG2 VAL 5 7.934 6.344 -12.993 49 HG23 VAL 5 2HG2 VAL 5 6.928 5.154 -12.166 50 H LYS 6 H LYS 6 5.367 3.554 -16.165 51 HA LYS 6 HA LYS 6 6.576 1.055 -17.143 52 HB2 LYS 6 2HB LYS 6 3.877 1.994 -17.080 53 HB3 LYS 6 3HB LYS 6 4.369 1.822 -18.760 54 HG2 LYS 6 2HG LYS 6 3.775 -0.312 -18.520 55 HG3 LYS 6 3HG LYS 6 5.305 -0.493 -17.658 56 HD2 LYS 6 2HD LYS 6 4.211 -0.168 -15.541 57 HD3 LYS 6 3HD LYS 6 2.687 0.222 -16.340 58 HE2 LYS 6 2HE LYS 6 2.205 -1.945 -16.021 59 HE3 LYS 6 3HE LYS 6 3.259 -2.217 -17.408 60 HZ1 LYS 6 3HZ LYS 6 4.165 -2.250 -14.580 61 HZ2 LYS 6 1HZ LYS 6 5.089 -2.643 -15.942 62 HZ3 LYS 6 2HZ LYS 6 3.796 -3.632 -15.484 63 H THR 7 H THR 7 7.810 1.077 -18.918 64 HA THR 7 HA THR 7 8.107 3.630 -20.339 65 HB THR 7 HB THR 7 10.032 1.427 -20.834 66 HG1 THR 7 HG1 THR 7 11.080 1.768 -18.874 67 HG21 THR 7 3HG2 THR 7 10.784 3.289 -21.895 68 HG22 THR 7 1HG2 THR 7 11.494 3.616 -20.315 69 HG23 THR 7 2HG2 THR 7 9.976 4.386 -20.775 70 H LEU 8 H LEU 8 8.850 3.296 -22.707 71 HA LEU 8 HA LEU 8 6.805 1.666 -23.994 72 HB2 LEU 8 2HB LEU 8 7.979 4.176 -24.516 73 HB3 LEU 8 3HB LEU 8 8.437 3.115 -25.846 74 HG LEU 8 HG LEU 8 6.450 4.326 -26.443 75 HD11 LEU 8 1HD1 LEU 8 6.558 2.082 -27.285 76 HD12 LEU 8 2HD1 LEU 8 4.890 2.438 -26.836 77 HD13 LEU 8 3HD1 LEU 8 5.892 1.440 -25.783 78 HD21 LEU 8 3HD2 LEU 8 4.642 3.132 -24.501 79 HD22 LEU 8 1HD2 LEU 8 4.776 4.803 -25.049 80 HD23 LEU 8 2HD2 LEU 8 5.828 4.210 -23.763 81 H THR 9 H THR 9 9.596 0.849 -22.841 82 HA THR 9 HA THR 9 10.504 -0.617 -25.231 83 HB THR 9 HB THR 9 12.509 -0.885 -23.326 84 HG1 THR 9 HG1 THR 9 12.010 1.876 -23.444 85 HG21 THR 9 3HG2 THR 9 12.377 1.195 -25.509 86 HG22 THR 9 1HG2 THR 9 12.708 -0.514 -25.788 87 HG23 THR 9 2HG2 THR 9 13.825 0.455 -24.827 88 H GLY 10 H GLY 10 8.558 -1.095 -22.744 89 HA2 GLY 10 2HA GLY 10 7.683 -3.124 -21.999 90 HA3 GLY 10 3HA GLY 10 9.068 -3.950 -22.699 91 H LYS 11 H LYS 11 10.179 -1.390 -20.902 92 HA LYS 11 HA LYS 11 10.815 -3.176 -18.663 93 HB2 LYS 11 2HB LYS 11 12.215 -0.976 -20.029 94 HB3 LYS 11 3HB LYS 11 12.360 -0.958 -18.276 95 HG2 LYS 11 2HG LYS 11 12.994 -3.346 -19.994 96 HG3 LYS 11 3HG LYS 11 14.188 -2.165 -19.449 97 HD2 LYS 11 2HD LYS 11 14.058 -2.848 -17.254 98 HD3 LYS 11 3HD LYS 11 12.416 -3.470 -17.434 99 HE2 LYS 11 2HE LYS 11 13.131 -5.500 -18.078 100 HE3 LYS 11 3HE LYS 11 14.411 -4.834 -19.090 101 HZ1 LYS 11 3HZ LYS 11 15.898 -4.844 -17.378 102 HZ2 LYS 11 1HZ LYS 11 14.964 -6.185 -16.941 103 HZ3 LYS 11 2HZ LYS 11 14.715 -4.697 -16.177 104 H THR 12 H THR 12 10.459 -2.591 -16.535 105 HA THR 12 HA THR 12 8.817 -0.181 -16.111 106 HB THR 12 HB THR 12 7.374 -2.145 -15.996 107 HG1 THR 12 HG1 THR 12 7.891 -1.185 -13.364 108 HG21 THR 12 3HG2 THR 12 7.721 -3.964 -14.545 109 HG22 THR 12 1HG2 THR 12 8.986 -3.121 -13.652 110 HG23 THR 12 2HG2 THR 12 9.292 -3.684 -15.296 111 H ILE 13 H ILE 13 9.442 1.128 -14.503 112 HA ILE 13 HA ILE 13 11.508 0.135 -12.649 113 HB ILE 13 HB ILE 13 11.190 2.951 -13.695 114 HG12 ILE 13 2HG1 ILE 13 13.317 0.873 -14.263 115 HG13 ILE 13 3HG1 ILE 13 12.060 1.381 -15.385 116 HG21 ILE 13 1HG2 ILE 13 13.286 1.753 -11.887 117 HG22 ILE 13 2HG2 ILE 13 13.292 3.397 -12.525 118 HG23 ILE 13 3HG2 ILE 13 12.027 2.890 -11.407 119 HD11 ILE 13 3HD1 ILE 13 13.121 3.758 -14.903 120 HD12 ILE 13 1HD1 ILE 13 14.536 2.766 -14.551 121 HD13 ILE 13 2HD1 ILE 13 13.762 2.670 -16.134 122 H THR 14 H THR 14 11.342 0.651 -10.497 123 HA THR 14 HA THR 14 8.736 1.697 -9.653 124 HB THR 14 HB THR 14 9.192 -0.452 -8.709 125 HG1 THR 14 HG1 THR 14 8.632 0.151 -6.743 126 HG21 THR 14 3HG2 THR 14 11.353 -0.245 -7.024 127 HG22 THR 14 1HG2 THR 14 11.900 0.615 -8.463 128 HG23 THR 14 2HG2 THR 14 11.349 -1.056 -8.590 129 H LEU 15 H LEU 15 8.527 3.566 -8.575 130 HA LEU 15 HA LEU 15 10.900 4.811 -7.393 131 HB2 LEU 15 2HB LEU 15 9.641 5.655 -9.798 132 HB3 LEU 15 3HB LEU 15 9.322 6.865 -8.556 133 HG LEU 15 HG LEU 15 11.321 7.331 -9.967 134 HD11 LEU 15 1HD1 LEU 15 12.515 8.257 -8.228 135 HD12 LEU 15 2HD1 LEU 15 12.252 6.873 -7.167 136 HD13 LEU 15 3HD1 LEU 15 10.937 8.004 -7.482 137 HD21 LEU 15 3HD2 LEU 15 13.155 5.977 -10.048 138 HD22 LEU 15 1HD2 LEU 15 11.898 4.753 -9.868 139 HD23 LEU 15 2HD2 LEU 15 12.839 5.263 -8.466 140 H GLU 16 H GLU 16 10.312 6.700 -6.002 141 HA GLU 16 HA GLU 16 7.614 6.412 -4.860 142 HB2 GLU 16 2HB GLU 16 8.553 6.667 -2.614 143 HB3 GLU 16 3HB GLU 16 9.210 5.248 -3.417 144 HG2 GLU 16 2HG GLU 16 11.181 6.023 -2.725 145 HG3 GLU 16 3HG GLU 16 11.044 7.134 -4.086 146 H VAL 17 H VAL 17 6.580 8.268 -4.335 147 HA VAL 17 HA VAL 17 8.037 10.770 -4.130 148 HB VAL 17 HB VAL 17 6.604 11.903 -5.815 149 HG11 VAL 17 1HG1 VAL 17 8.918 11.108 -6.300 150 HG12 VAL 17 2HG1 VAL 17 8.216 9.651 -7.006 151 HG13 VAL 17 3HG1 VAL 17 7.883 11.228 -7.723 152 HG21 VAL 17 3HG2 VAL 17 4.721 10.608 -6.135 153 HG22 VAL 17 1HG2 VAL 17 5.663 10.222 -7.574 154 HG23 VAL 17 2HG2 VAL 17 5.638 9.104 -6.211 155 H GLU 18 H GLU 18 6.187 12.613 -4.036 156 HA GLU 18 HA GLU 18 4.100 11.608 -2.216 157 HB2 GLU 18 2HB GLU 18 6.155 13.657 -1.791 158 HB3 GLU 18 3HB GLU 18 4.529 14.191 -1.386 159 HG2 GLU 18 2HG GLU 18 4.266 12.289 0.113 160 HG3 GLU 18 3HG GLU 18 5.884 11.730 -0.304 161 HA PRO 19 HA PRO 19 1.097 13.838 -4.506 162 HB2 PRO 19 2HB PRO 19 -0.490 14.898 -2.575 163 HB3 PRO 19 3HB PRO 19 -0.464 13.172 -2.956 164 HG2 PRO 19 2HG PRO 19 0.913 14.644 -0.743 165 HG3 PRO 19 3HG PRO 19 0.053 13.094 -0.690 166 HD2 PRO 19 2HD PRO 19 2.754 13.259 -0.802 167 HD3 PRO 19 3HD PRO 19 1.847 11.927 -1.547 168 H SER 20 H SER 20 2.755 15.632 -1.978 169 HA SER 20 HA SER 20 1.975 18.197 -3.086 170 HB2 SER 20 2HB SER 20 4.114 18.014 -1.026 171 HB3 SER 20 3HB SER 20 2.753 19.130 -1.143 172 HG SER 20 HG SER 20 2.046 17.869 0.417 173 H ASP 21 H ASP 21 4.096 15.935 -4.035 174 HA ASP 21 HA ASP 21 6.316 17.719 -4.650 175 HB2 ASP 21 2HB ASP 21 6.425 15.185 -3.932 176 HB3 ASP 21 3HB ASP 21 6.161 14.904 -5.651 177 H THR 22 H THR 22 7.053 18.104 -6.783 178 HA THR 22 HA THR 22 4.893 18.021 -8.773 179 HB THR 22 HB THR 22 6.180 19.785 -9.961 180 HG1 THR 22 HG1 THR 22 8.214 19.895 -9.364 181 HG21 THR 22 3HG2 THR 22 4.764 21.084 -8.827 182 HG22 THR 22 1HG2 THR 22 6.028 21.300 -7.617 183 HG23 THR 22 2HG2 THR 22 4.828 20.022 -7.421 184 H ILE 23 H ILE 23 5.458 17.608 -11.013 185 HA ILE 23 HA ILE 23 7.061 15.290 -11.304 186 HB ILE 23 HB ILE 23 6.638 15.560 -13.743 187 HG12 ILE 23 2HG1 ILE 23 4.922 17.922 -12.996 188 HG13 ILE 23 3HG1 ILE 23 6.583 18.119 -13.545 189 HG21 ILE 23 1HG2 ILE 23 4.046 15.982 -12.315 190 HG22 ILE 23 2HG2 ILE 23 4.441 14.853 -13.610 191 HG23 ILE 23 3HG2 ILE 23 5.026 14.556 -11.973 192 HD11 ILE 23 3HD1 ILE 23 5.974 17.909 -15.660 193 HD12 ILE 23 1HD1 ILE 23 5.114 16.405 -15.328 194 HD13 ILE 23 2HD1 ILE 23 4.298 17.954 -15.114 195 H GLU 24 H GLU 24 7.688 18.680 -11.658 196 HA GLU 24 HA GLU 24 10.032 18.415 -13.273 197 HB2 GLU 24 2HB GLU 24 8.642 20.490 -13.125 198 HB3 GLU 24 3HB GLU 24 9.245 20.723 -11.490 199 HG2 GLU 24 2HG GLU 24 11.546 20.406 -12.957 200 HG3 GLU 24 3HG GLU 24 10.496 21.309 -14.047 201 H ASN 25 H ASN 25 9.340 18.153 -9.906 202 HA ASN 25 HA ASN 25 12.021 18.629 -8.996 203 HB2 ASN 25 2HB ASN 25 9.654 18.715 -7.737 204 HB3 ASN 25 3HB ASN 25 10.128 17.072 -7.316 205 HD21 ASN 25 1HD2 ASN 25 11.198 20.427 -7.245 206 HD22 ASN 25 2HD2 ASN 25 12.196 20.268 -5.844 207 H VAL 26 H VAL 26 10.243 15.928 -10.201 208 HA VAL 26 HA VAL 26 11.939 13.902 -9.077 209 HB VAL 26 HB VAL 26 9.948 13.750 -11.344 210 HG11 VAL 26 1HG1 VAL 26 11.523 11.966 -11.596 211 HG12 VAL 26 2HG1 VAL 26 11.441 11.582 -9.876 212 HG13 VAL 26 3HG1 VAL 26 10.043 11.295 -10.912 213 HG21 VAL 26 3HG2 VAL 26 9.572 14.008 -8.568 214 HG22 VAL 26 1HG2 VAL 26 8.360 13.640 -9.795 215 HG23 VAL 26 2HG2 VAL 26 9.205 12.330 -8.969 216 H LYS 27 H LYS 27 11.795 15.713 -12.076 217 HA LYS 27 HA LYS 27 13.600 14.136 -13.566 218 HB2 LYS 27 2HB LYS 27 13.423 15.740 -15.188 219 HB3 LYS 27 3HB LYS 27 11.997 16.140 -14.240 220 HG2 LYS 27 2HG LYS 27 13.457 17.803 -13.007 221 HG3 LYS 27 3HG LYS 27 14.656 17.532 -14.274 222 HD2 LYS 27 2HD LYS 27 12.834 18.108 -15.935 223 HD3 LYS 27 3HD LYS 27 11.874 18.650 -14.557 224 HE2 LYS 27 2HE LYS 27 13.416 20.358 -14.031 225 HE3 LYS 27 3HE LYS 27 14.649 19.677 -15.090 226 HZ1 LYS 27 3HZ LYS 27 12.201 20.341 -16.447 227 HZ2 LYS 27 1HZ LYS 27 13.800 20.715 -16.855 228 HZ3 LYS 27 2HZ LYS 27 12.962 21.681 -15.749 229 H ALA 28 H ALA 28 14.049 16.795 -11.310 230 HA ALA 28 HA ALA 28 16.735 17.373 -11.821 231 HB1 ALA 28 1HB ALA 28 15.997 18.952 -10.411 232 HB2 ALA 28 2HB ALA 28 14.834 17.869 -9.645 233 HB3 ALA 28 3HB ALA 28 16.527 17.838 -9.150 234 H LYS 29 H LYS 29 15.249 14.886 -9.817 235 HA LYS 29 HA LYS 29 17.622 14.013 -8.544 236 HB2 LYS 29 2HB LYS 29 14.959 13.452 -8.268 237 HB3 LYS 29 3HB LYS 29 15.554 11.973 -9.011 238 HG2 LYS 29 2HG LYS 29 17.312 12.804 -6.895 239 HG3 LYS 29 3HG LYS 29 15.650 12.683 -6.313 240 HD2 LYS 29 2HD LYS 29 15.582 10.411 -7.459 241 HD3 LYS 29 3HD LYS 29 17.335 10.555 -7.609 242 HE2 LYS 29 2HE LYS 29 17.199 11.076 -5.044 243 HE3 LYS 29 3HE LYS 29 15.651 10.241 -5.164 244 HZ1 LYS 29 3HZ LYS 29 16.749 8.302 -5.997 245 HZ2 LYS 29 1HZ LYS 29 17.521 8.772 -4.567 246 HZ3 LYS 29 2HZ LYS 29 18.240 9.100 -6.062 247 H ILE 30 H ILE 30 16.087 13.207 -11.591 248 HA ILE 30 HA ILE 30 17.606 10.891 -12.167 249 HB ILE 30 HB ILE 30 16.294 12.815 -14.091 250 HG12 ILE 30 2HG1 ILE 30 15.217 10.163 -13.149 251 HG13 ILE 30 3HG1 ILE 30 14.862 11.662 -12.297 252 HG21 ILE 30 1HG2 ILE 30 16.261 10.734 -15.556 253 HG22 ILE 30 2HG2 ILE 30 17.815 11.540 -15.347 254 HG23 ILE 30 3HG2 ILE 30 17.457 10.069 -14.444 255 HD11 ILE 30 3HD1 ILE 30 13.896 10.685 -14.912 256 HD12 ILE 30 1HD1 ILE 30 13.056 11.590 -13.652 257 HD13 ILE 30 2HD1 ILE 30 14.165 12.420 -14.745 258 H GLN 31 H GLN 31 18.079 14.319 -12.891 259 HA GLN 31 HA GLN 31 20.324 14.014 -14.566 260 HB2 GLN 31 2HB GLN 31 19.116 16.092 -14.556 261 HB3 GLN 31 3HB GLN 31 19.423 16.321 -12.839 262 HG2 GLN 31 2HG GLN 31 21.869 16.432 -13.399 263 HG3 GLN 31 3HG GLN 31 21.397 16.476 -15.097 264 HE21 GLN 31 1HE2 GLN 31 20.650 18.083 -12.024 265 HE22 GLN 31 2HE2 GLN 31 20.533 19.674 -12.687 266 H ASP 32 H ASP 32 19.979 14.274 -11.078 267 HA ASP 32 HA ASP 32 22.770 14.555 -10.545 268 HB2 ASP 32 2HB ASP 32 20.640 15.069 -9.053 269 HB3 ASP 32 3HB ASP 32 20.910 13.416 -8.507 270 H LYS 33 H LYS 33 20.924 11.975 -11.600 271 HA LYS 33 HA LYS 33 22.718 9.986 -10.390 272 HB2 LYS 33 2HB LYS 33 19.956 9.991 -10.699 273 HB3 LYS 33 3HB LYS 33 20.520 8.919 -11.974 274 HG2 LYS 33 2HG LYS 33 21.921 7.817 -10.100 275 HG3 LYS 33 3HG LYS 33 20.801 8.642 -9.012 276 HD2 LYS 33 2HD LYS 33 19.269 7.409 -11.055 277 HD3 LYS 33 3HD LYS 33 20.425 6.216 -10.458 278 HE2 LYS 33 2HE LYS 33 18.772 7.884 -8.588 279 HE3 LYS 33 3HE LYS 33 18.151 6.387 -9.283 280 HZ1 LYS 33 3HZ LYS 33 19.470 5.141 -7.986 281 HZ2 LYS 33 1HZ LYS 33 19.534 6.517 -7.003 282 HZ3 LYS 33 2HZ LYS 33 20.786 6.199 -8.095 283 H GLU 34 H GLU 34 21.340 11.014 -13.492 284 HA GLU 34 HA GLU 34 23.592 9.666 -14.832 285 HB2 GLU 34 2HB GLU 34 20.822 9.199 -15.185 286 HB3 GLU 34 3HB GLU 34 21.385 10.034 -16.625 287 HG2 GLU 34 2HG GLU 34 21.487 7.598 -16.849 288 HG3 GLU 34 3HG GLU 34 23.072 8.355 -16.996 289 H GLY 35 H GLY 35 21.435 12.432 -14.715 290 HA2 GLY 35 2HA GLY 35 22.130 14.638 -15.207 291 HA3 GLY 35 3HA GLY 35 23.435 13.983 -16.185 292 H ILE 36 H ILE 36 20.236 12.716 -16.570 293 HA ILE 36 HA ILE 36 20.161 13.247 -19.327 294 HB ILE 36 HB ILE 36 17.892 12.588 -17.446 295 HG12 ILE 36 2HG1 ILE 36 19.446 10.814 -19.341 296 HG13 ILE 36 3HG1 ILE 36 19.730 10.908 -17.606 297 HG21 ILE 36 1HG2 ILE 36 17.316 11.702 -20.045 298 HG22 ILE 36 2HG2 ILE 36 16.512 12.983 -19.138 299 HG23 ILE 36 3HG2 ILE 36 17.863 13.371 -20.204 300 HD11 ILE 36 3HD1 ILE 36 17.717 9.870 -17.100 301 HD12 ILE 36 1HD1 ILE 36 17.033 10.205 -18.690 302 HD13 ILE 36 2HD1 ILE 36 18.299 8.990 -18.513 303 HA PRO 37 HA PRO 37 18.982 17.530 -19.239 304 HB2 PRO 37 2HB PRO 37 18.607 17.789 -21.916 305 HB3 PRO 37 3HB PRO 37 20.209 17.740 -21.171 306 HG2 PRO 37 2HG PRO 37 18.684 15.553 -22.532 307 HG3 PRO 37 3HG PRO 37 20.402 15.970 -22.667 308 HD2 PRO 37 2HD PRO 37 19.516 13.929 -21.124 309 HD3 PRO 37 3HD PRO 37 20.948 14.891 -20.705 310 HA PRO 38 HA PRO 38 14.550 16.669 -19.153 311 HB2 PRO 38 2HB PRO 38 13.917 18.908 -17.754 312 HB3 PRO 38 3HB PRO 38 14.556 17.447 -16.991 313 HG2 PRO 38 2HG PRO 38 15.985 19.962 -17.761 314 HG3 PRO 38 3HG PRO 38 16.134 19.000 -16.279 315 HD2 PRO 38 2HD PRO 38 17.922 18.839 -18.306 316 HD3 PRO 38 3HD PRO 38 17.522 17.451 -17.274 317 H ASP 39 H ASP 39 16.356 19.068 -20.692 318 HA ASP 39 HA ASP 39 14.284 20.791 -21.580 319 HB2 ASP 39 2HB ASP 39 17.113 20.577 -21.903 320 HB3 ASP 39 3HB ASP 39 16.385 20.730 -23.500 321 H GLN 40 H GLN 40 15.267 17.643 -22.503 322 HA GLN 40 HA GLN 40 13.581 17.811 -24.914 323 HB2 GLN 40 2HB GLN 40 16.196 17.230 -24.971 324 HB3 GLN 40 3HB GLN 40 15.567 15.617 -24.664 325 HG2 GLN 40 2HG GLN 40 15.594 15.601 -26.935 326 HG3 GLN 40 3HG GLN 40 13.967 16.221 -26.660 327 HE21 GLN 40 1HE2 GLN 40 16.521 16.600 -28.558 328 HE22 GLN 40 2HE2 GLN 40 16.417 18.286 -28.918 329 H GLN 41 H GLN 41 13.333 16.932 -21.889 330 HA GLN 41 HA GLN 41 12.179 14.279 -22.351 331 HB2 GLN 41 2HB GLN 41 13.744 14.519 -20.468 332 HB3 GLN 41 3HB GLN 41 12.702 15.746 -19.760 333 HG2 GLN 41 2HG GLN 41 11.577 14.174 -18.699 334 HG3 GLN 41 3HG GLN 41 11.108 13.466 -20.243 335 HE21 GLN 41 1HE2 GLN 41 14.146 13.681 -18.418 336 HE22 GLN 41 2HE2 GLN 41 14.487 11.988 -18.457 337 H ARG 42 H ARG 42 10.050 13.957 -22.438 338 HA ARG 42 HA ARG 42 8.277 16.116 -21.501 339 HB2 ARG 42 2HB ARG 42 8.613 15.395 -24.121 340 HB3 ARG 42 3HB ARG 42 7.233 14.411 -23.654 341 HG2 ARG 42 2HG ARG 42 6.279 16.359 -24.481 342 HG3 ARG 42 3HG ARG 42 6.240 16.584 -22.731 343 HD2 ARG 42 2HD ARG 42 7.074 18.613 -23.389 344 HD3 ARG 42 3HD ARG 42 8.573 17.716 -23.150 345 HE ARG 42 HE ARG 42 7.773 17.388 -25.807 346 HH11 ARG 42 1HH1 ARG 42 8.896 19.900 -23.675 347 HH12 ARG 42 2HH1 ARG 42 9.638 20.822 -24.940 348 HH21 ARG 42 1HH2 ARG 42 8.746 18.592 -27.481 349 HH22 ARG 42 2HH2 ARG 42 9.551 20.078 -27.105 350 H LEU 43 H LEU 43 6.977 15.496 -19.916 351 HA LEU 43 HA LEU 43 6.539 12.646 -19.454 352 HB2 LEU 43 2HB LEU 43 6.556 15.077 -17.810 353 HB3 LEU 43 3HB LEU 43 5.293 13.920 -17.396 354 HG LEU 43 HG LEU 43 6.880 12.247 -16.850 355 HD11 LEU 43 1HD1 LEU 43 9.410 13.195 -17.076 356 HD12 LEU 43 2HD1 LEU 43 8.660 13.871 -18.522 357 HD13 LEU 43 3HD1 LEU 43 8.631 12.130 -18.246 358 HD21 LEU 43 3HD2 LEU 43 6.732 14.648 -15.505 359 HD22 LEU 43 1HD2 LEU 43 8.468 14.368 -15.653 360 HD23 LEU 43 2HD2 LEU 43 7.441 13.153 -14.890 361 H ILE 44 H ILE 44 4.640 11.653 -19.758 362 HA ILE 44 HA ILE 44 2.212 13.262 -20.070 363 HB ILE 44 HB ILE 44 1.530 12.000 -22.057 364 HG12 ILE 44 2HG1 ILE 44 4.326 10.848 -21.941 365 HG13 ILE 44 3HG1 ILE 44 2.831 9.961 -21.664 366 HG21 ILE 44 1HG2 ILE 44 4.222 13.135 -22.695 367 HG22 ILE 44 2HG2 ILE 44 2.709 13.278 -23.588 368 HG23 ILE 44 3HG2 ILE 44 2.935 14.174 -22.086 369 HD11 ILE 44 3HD1 ILE 44 3.262 9.392 -23.825 370 HD12 ILE 44 1HD1 ILE 44 2.259 10.821 -24.076 371 HD13 ILE 44 2HD1 ILE 44 4.014 10.942 -24.202 372 H PHE 45 H PHE 45 0.377 12.303 -19.330 373 HA PHE 45 HA PHE 45 0.329 9.459 -18.759 374 HB2 PHE 45 2HB PHE 45 -0.417 11.182 -16.448 375 HB3 PHE 45 3HB PHE 45 0.241 9.549 -16.467 376 HD1 PHE 45 HD2 PHE 45 2.678 9.220 -16.905 377 HD2 PHE 45 HD1 PHE 45 0.978 13.061 -16.219 378 HE1 PHE 45 HE2 PHE 45 4.913 10.114 -16.396 379 HE2 PHE 45 HE1 PHE 45 3.210 13.962 -15.710 380 HZ PHE 45 HZ PHE 45 5.181 12.488 -15.797 381 H ALA 46 H ALA 46 -1.714 8.614 -18.710 382 HA ALA 46 HA ALA 46 -3.970 8.478 -18.989 383 HB1 ALA 46 1HB ALA 46 -5.020 10.973 -18.382 384 HB2 ALA 46 2HB ALA 46 -4.849 9.604 -17.283 385 HB3 ALA 46 3HB ALA 46 -3.590 10.837 -17.358 386 H GLY 47 H GLY 47 -2.031 9.837 -20.980 387 HA2 GLY 47 2HA GLY 47 -2.332 10.323 -23.232 388 HA3 GLY 47 3HA GLY 47 -4.068 10.372 -22.960 389 H LYS 48 H LYS 48 -2.683 12.264 -20.642 390 HA LYS 48 HA LYS 48 -3.018 14.686 -22.288 391 HB2 LYS 48 2HB LYS 48 -4.182 13.906 -19.768 392 HB3 LYS 48 3HB LYS 48 -3.254 15.387 -19.573 393 HG2 LYS 48 2HG LYS 48 -5.469 16.029 -20.078 394 HG3 LYS 48 3HG LYS 48 -4.516 16.315 -21.536 395 HD2 LYS 48 2HD LYS 48 -6.239 15.223 -22.518 396 HD3 LYS 48 3HD LYS 48 -5.323 13.800 -22.015 397 HE2 LYS 48 2HE LYS 48 -7.395 13.267 -21.197 398 HE3 LYS 48 3HE LYS 48 -6.708 14.096 -19.801 399 HZ1 LYS 48 3HZ LYS 48 -8.005 15.891 -21.612 400 HZ2 LYS 48 1HZ LYS 48 -8.223 15.698 -19.945 401 HZ3 LYS 48 2HZ LYS 48 -9.061 14.706 -21.028 402 H GLN 49 H GLN 49 -1.463 16.235 -22.250 403 HA GLN 49 HA GLN 49 1.126 15.505 -21.297 404 HB2 GLN 49 2HB GLN 49 1.741 17.824 -22.099 405 HB3 GLN 49 3HB GLN 49 1.051 16.754 -23.312 406 HG2 GLN 49 2HG GLN 49 -0.984 17.895 -23.332 407 HG3 GLN 49 3HG GLN 49 -0.651 18.698 -21.799 408 HE21 GLN 49 1HE2 GLN 49 0.005 18.645 -25.214 409 HE22 GLN 49 2HE2 GLN 49 0.710 20.219 -25.308 410 H LEU 50 H LEU 50 1.948 15.825 -19.346 411 HA LEU 50 HA LEU 50 0.527 17.473 -17.430 412 HB2 LEU 50 2HB LEU 50 2.326 15.229 -17.343 413 HB3 LEU 50 3HB LEU 50 2.888 16.510 -16.270 414 HG LEU 50 HG LEU 50 1.431 14.741 -15.221 415 HD11 LEU 50 1HD1 LEU 50 1.768 16.780 -14.053 416 HD12 LEU 50 2HD1 LEU 50 0.042 16.429 -13.987 417 HD13 LEU 50 3HD1 LEU 50 0.651 17.646 -15.108 418 HD21 LEU 50 3HD2 LEU 50 -0.208 15.282 -17.404 419 HD22 LEU 50 1HD2 LEU 50 -1.044 15.993 -16.023 420 HD23 LEU 50 2HD2 LEU 50 -0.601 14.286 -16.002 421 H GLU 51 H GLU 51 1.207 19.374 -16.584 422 HA GLU 51 HA GLU 51 3.374 20.726 -17.957 423 HB2 GLU 51 2HB GLU 51 1.250 21.898 -17.583 424 HB3 GLU 51 3HB GLU 51 1.454 21.724 -15.845 425 HG2 GLU 51 2HG GLU 51 2.040 23.969 -16.837 426 HG3 GLU 51 3HG GLU 51 3.251 23.228 -15.793 427 H ASP 52 H ASP 52 5.314 21.253 -17.117 428 HA ASP 52 HA ASP 52 6.414 19.846 -15.002 429 HB2 ASP 52 2HB ASP 52 8.151 21.789 -15.035 430 HB3 ASP 52 3HB ASP 52 7.984 20.760 -16.454 431 H GLY 53 H GLY 53 4.863 23.011 -15.019 432 HA2 GLY 53 2HA GLY 53 5.515 23.561 -12.267 433 HA3 GLY 53 3HA GLY 53 4.440 24.498 -13.294 434 H ARG 54 H ARG 54 3.673 21.214 -13.329 435 HA ARG 54 HA ARG 54 1.357 21.725 -11.616 436 HB2 ARG 54 2HB ARG 54 1.407 20.657 -14.061 437 HB3 ARG 54 3HB ARG 54 1.641 19.182 -13.132 438 HG2 ARG 54 2HG ARG 54 -0.449 19.274 -12.196 439 HG3 ARG 54 3HG ARG 54 -0.568 21.026 -12.371 440 HD2 ARG 54 2HD ARG 54 -0.500 20.441 -14.935 441 HD3 ARG 54 3HD ARG 54 -1.073 18.873 -14.367 442 HE ARG 54 HE ARG 54 -2.613 20.964 -13.240 443 HH11 ARG 54 1HH1 ARG 54 -2.101 19.223 -16.211 444 HH12 ARG 54 2HH1 ARG 54 -3.710 19.487 -16.796 445 HH21 ARG 54 1HH2 ARG 54 -4.735 21.318 -13.999 446 HH22 ARG 54 2HH2 ARG 54 -5.207 20.679 -15.537 447 H THR 55 H THR 55 0.687 20.182 -10.032 448 HA THR 55 HA THR 55 2.958 18.750 -8.834 449 HB THR 55 HB THR 55 2.133 20.338 -7.283 450 HG1 THR 55 HG1 THR 55 0.655 18.218 -6.275 451 HG21 THR 55 3HG2 THR 55 0.078 21.151 -7.637 452 HG22 THR 55 1HG2 THR 55 -0.516 19.760 -6.731 453 HG23 THR 55 2HG2 THR 55 -0.434 19.696 -8.492 454 H LEU 56 H LEU 56 2.549 16.691 -7.801 455 HA LEU 56 HA LEU 56 1.169 14.886 -9.450 456 HB2 LEU 56 2HB LEU 56 2.319 14.663 -6.687 457 HB3 LEU 56 3HB LEU 56 1.503 13.308 -7.463 458 HG LEU 56 HG LEU 56 3.998 14.688 -8.452 459 HD11 LEU 56 1HD1 LEU 56 5.031 13.339 -7.019 460 HD12 LEU 56 2HD1 LEU 56 4.488 11.993 -8.020 461 HD13 LEU 56 3HD1 LEU 56 3.533 12.494 -6.625 462 HD21 LEU 56 3HD2 LEU 56 3.757 12.328 -9.812 463 HD22 LEU 56 1HD2 LEU 56 3.329 13.918 -10.444 464 HD23 LEU 56 2HD2 LEU 56 2.085 12.888 -9.735 465 H SER 57 H SER 57 0.351 16.187 -6.246 466 HA SER 57 HA SER 57 -1.974 14.800 -5.744 467 HB2 SER 57 2HB SER 57 -2.690 16.928 -4.502 468 HB3 SER 57 3HB SER 57 -1.159 16.198 -4.019 469 HG SER 57 HG SER 57 -1.600 18.662 -4.912 470 H ASP 58 H ASP 58 -1.545 17.719 -7.697 471 HA ASP 58 HA ASP 58 -4.250 18.225 -8.231 472 HB2 ASP 58 2HB ASP 58 -2.661 19.928 -8.737 473 HB3 ASP 58 3HB ASP 58 -1.742 18.852 -9.787 474 H TYR 59 H TYR 59 -2.009 15.939 -9.602 475 HA TYR 59 HA TYR 59 -3.594 15.337 -11.913 476 HB2 TYR 59 2HB TYR 59 -1.162 14.980 -11.894 477 HB3 TYR 59 3HB TYR 59 -1.346 13.769 -10.630 478 HD1 TYR 59 HD1 TYR 59 -2.492 11.617 -11.147 479 HD2 TYR 59 HD2 TYR 59 -1.538 14.444 -14.181 480 HE1 TYR 59 HE1 TYR 59 -2.784 9.873 -12.855 481 HE2 TYR 59 HE2 TYR 59 -1.829 12.707 -15.898 482 HH TYR 59 HH TYR 59 -2.826 9.412 -15.029 483 H ASN 60 H ASN 60 -3.742 14.488 -8.628 484 HA ASN 60 HA ASN 60 -5.110 13.109 -7.443 485 HB2 ASN 60 2HB ASN 60 -6.577 12.485 -10.002 486 HB3 ASN 60 3HB ASN 60 -7.207 12.499 -8.357 487 HD21 ASN 60 1HD2 ASN 60 -6.578 14.807 -7.313 488 HD22 ASN 60 2HD2 ASN 60 -7.180 16.134 -8.241 489 H ILE 61 H ILE 61 -2.695 12.088 -8.591 490 HA ILE 61 HA ILE 61 -3.210 9.442 -9.593 491 HB ILE 61 HB ILE 61 -1.207 10.478 -10.357 492 HG12 ILE 61 2HG1 ILE 61 -1.254 7.971 -9.284 493 HG13 ILE 61 3HG1 ILE 61 0.089 8.630 -10.211 494 HG21 ILE 61 1HG2 ILE 61 -0.564 10.874 -7.445 495 HG22 ILE 61 2HG2 ILE 61 0.625 11.063 -8.733 496 HG23 ILE 61 3HG2 ILE 61 -0.795 12.108 -8.684 497 HD11 ILE 61 3HD1 ILE 61 0.735 7.522 -8.084 498 HD12 ILE 61 1HD1 ILE 61 1.272 9.195 -8.224 499 HD13 ILE 61 2HD1 ILE 61 -0.121 8.798 -7.218 500 H GLN 62 H GLN 62 -3.793 7.782 -8.374 501 HA GLN 62 HA GLN 62 -3.441 7.869 -5.499 502 HB2 GLN 62 2HB GLN 62 -5.254 6.615 -7.313 503 HB3 GLN 62 3HB GLN 62 -4.495 5.365 -6.337 504 HG2 GLN 62 2HG GLN 62 -6.314 5.890 -5.056 505 HG3 GLN 62 3HG GLN 62 -5.087 6.945 -4.354 506 HE21 GLN 62 1HE2 GLN 62 -8.125 6.768 -5.809 507 HE22 GLN 62 2HE2 GLN 62 -8.413 8.462 -5.990 508 H LYS 63 H LYS 63 -2.986 5.458 -4.605 509 HA LYS 63 HA LYS 63 -0.223 5.001 -5.210 510 HB2 LYS 63 2HB LYS 63 -0.446 3.171 -3.504 511 HB3 LYS 63 3HB LYS 63 -0.903 4.770 -2.930 512 HG2 LYS 63 2HG LYS 63 -3.139 4.242 -2.822 513 HG3 LYS 63 3HG LYS 63 -2.999 2.944 -4.009 514 HD2 LYS 63 2HD LYS 63 -1.388 2.000 -2.056 515 HD3 LYS 63 3HD LYS 63 -2.556 2.909 -1.094 516 HE2 LYS 63 2HE LYS 63 -3.324 0.643 -1.311 517 HE3 LYS 63 3HE LYS 63 -4.380 1.694 -2.253 518 HZ1 LYS 63 3HZ LYS 63 -3.777 0.719 -4.159 519 HZ2 LYS 63 1HZ LYS 63 -3.251 -0.556 -3.180 520 HZ3 LYS 63 2HZ LYS 63 -2.147 0.604 -3.724 521 H GLU 64 H GLU 64 0.727 3.240 -6.187 522 HA GLU 64 HA GLU 64 0.921 1.331 -7.435 523 HB2 GLU 64 2HB GLU 64 -1.287 0.773 -5.928 524 HB3 GLU 64 3HB GLU 64 -1.946 0.680 -7.555 525 HG2 GLU 64 2HG GLU 64 -0.120 -0.905 -8.135 526 HG3 GLU 64 3HG GLU 64 0.358 -0.896 -6.438 527 H SER 65 H SER 65 0.116 4.053 -8.391 528 HA SER 65 HA SER 65 -1.445 3.544 -10.773 529 HB2 SER 65 2HB SER 65 -0.283 5.948 -9.449 530 HB3 SER 65 3HB SER 65 -0.595 6.039 -11.182 531 HG SER 65 HG SER 65 -2.417 5.614 -9.072 532 H THR 66 H THR 66 -0.704 3.711 -12.900 533 HA THR 66 HA THR 66 2.198 3.305 -13.205 534 HB THR 66 HB THR 66 1.455 2.281 -15.468 535 HG1 THR 66 HG1 THR 66 -0.894 1.502 -14.226 536 HG21 THR 66 3HG2 THR 66 2.368 1.066 -13.454 537 HG22 THR 66 1HG2 THR 66 1.315 0.111 -14.497 538 HG23 THR 66 2HG2 THR 66 0.698 0.760 -12.977 539 H LEU 67 H LEU 67 3.329 4.744 -14.339 540 HA LEU 67 HA LEU 67 1.846 6.718 -15.944 541 HB2 LEU 67 2HB LEU 67 3.688 8.250 -15.542 542 HB3 LEU 67 3HB LEU 67 2.996 7.676 -14.026 543 HG LEU 67 HG LEU 67 5.302 6.121 -14.942 544 HD11 LEU 67 1HD1 LEU 67 6.301 8.058 -15.709 545 HD12 LEU 67 2HD1 LEU 67 6.825 8.008 -14.026 546 HD13 LEU 67 3HD1 LEU 67 5.503 9.072 -14.507 547 HD21 LEU 67 3HD2 LEU 67 4.936 5.593 -12.794 548 HD22 LEU 67 1HD2 LEU 67 4.064 7.092 -12.472 549 HD23 LEU 67 2HD2 LEU 67 5.827 7.075 -12.442 550 H HIS 68 H HIS 68 2.777 7.443 -17.921 551 HA HIS 68 HA HIS 68 4.385 5.371 -19.227 552 HB2 HIS 68 2HB HIS 68 2.548 7.518 -20.265 553 HB3 HIS 68 3HB HIS 68 3.671 6.678 -21.330 554 HD1 HIS 68 HD1 HIS 68 1.050 6.146 -22.275 555 HD2 HIS 68 HD2 HIS 68 2.488 4.053 -18.987 556 HE1 HIS 68 HE1 HIS 68 -0.371 4.077 -22.122 557 H LEU 69 H LEU 69 6.363 5.752 -20.079 558 HA LEU 69 HA LEU 69 7.463 8.463 -19.725 559 HB2 LEU 69 2HB LEU 69 8.384 5.913 -18.830 560 HB3 LEU 69 3HB LEU 69 9.552 6.574 -19.972 561 HG LEU 69 HG LEU 69 8.608 7.849 -17.406 562 HD11 LEU 69 1HD1 LEU 69 11.170 6.546 -18.276 563 HD12 LEU 69 2HD1 LEU 69 10.164 6.173 -16.877 564 HD13 LEU 69 3HD1 LEU 69 11.097 7.669 -16.918 565 HD21 LEU 69 3HD2 LEU 69 10.060 8.931 -19.752 566 HD22 LEU 69 1HD2 LEU 69 10.647 9.388 -18.153 567 HD23 LEU 69 2HD2 LEU 69 8.980 9.737 -18.613 568 H VAL 70 H VAL 70 8.430 9.448 -21.414 569 HA VAL 70 HA VAL 70 8.201 8.163 -24.014 570 HB VAL 70 HB VAL 70 7.435 10.519 -23.641 571 HG11 VAL 70 1HG1 VAL 70 9.343 11.145 -22.162 572 HG12 VAL 70 2HG1 VAL 70 10.377 11.172 -23.592 573 HG13 VAL 70 3HG1 VAL 70 9.026 12.298 -23.458 574 HG21 VAL 70 3HG2 VAL 70 9.592 10.656 -25.683 575 HG22 VAL 70 1HG2 VAL 70 8.358 9.407 -25.856 576 HG23 VAL 70 2HG2 VAL 70 7.891 11.107 -25.802 577 H LEU 71 H LEU 71 9.950 8.187 -25.557 578 HA LEU 71 HA LEU 71 12.596 8.026 -24.268 579 HB2 LEU 71 2HB LEU 71 11.225 6.014 -25.531 580 HB3 LEU 71 3HB LEU 71 12.282 6.614 -26.807 581 HG LEU 71 HG LEU 71 13.142 4.660 -25.454 582 HD11 LEU 71 1HD1 LEU 71 14.439 6.791 -26.617 583 HD12 LEU 71 2HD1 LEU 71 15.184 5.280 -26.095 584 HD13 LEU 71 3HD1 LEU 71 15.187 6.680 -25.023 585 HD21 LEU 71 3HD2 LEU 71 13.869 6.668 -23.363 586 HD22 LEU 71 1HD2 LEU 71 13.827 4.907 -23.263 587 HD23 LEU 71 2HD2 LEU 71 12.321 5.825 -23.280 588 H ARG 72 H ARG 72 14.435 8.600 -25.581 589 HA ARG 72 HA ARG 72 13.759 10.650 -27.581 590 HB2 ARG 72 2HB ARG 72 16.069 11.535 -27.067 591 HB3 ARG 72 3HB ARG 72 14.899 11.661 -25.760 592 HG2 ARG 72 2HG ARG 72 15.860 9.692 -24.694 593 HG3 ARG 72 3HG ARG 72 17.021 9.539 -26.015 594 HD2 ARG 72 2HD ARG 72 16.866 12.135 -24.576 595 HD3 ARG 72 3HD ARG 72 17.627 10.774 -23.751 596 HE ARG 72 HE ARG 72 18.633 11.101 -26.395 597 HH11 ARG 72 1HH1 ARG 72 18.843 12.353 -23.153 598 HH12 ARG 72 2HH1 ARG 72 20.460 12.944 -23.346 599 HH21 ARG 72 1HH2 ARG 72 20.762 11.875 -26.662 600 HH22 ARG 72 2HH2 ARG 72 21.551 12.672 -25.343 601 H LEU 73 H LEU 73 14.149 10.133 -29.621 602 HA LEU 73 HA LEU 73 15.915 7.909 -30.249 603 HB2 LEU 73 2HB LEU 73 13.590 8.351 -31.260 604 HB3 LEU 73 3HB LEU 73 14.407 9.564 -32.244 605 HG LEU 73 HG LEU 73 15.961 7.593 -32.922 606 HD11 LEU 73 1HD1 LEU 73 14.668 6.172 -31.117 607 HD12 LEU 73 2HD1 LEU 73 15.248 5.448 -32.616 608 HD13 LEU 73 3HD1 LEU 73 13.554 5.912 -32.460 609 HD21 LEU 73 3HD2 LEU 73 13.134 8.011 -33.856 610 HD22 LEU 73 1HD2 LEU 73 14.253 6.919 -34.672 611 HD23 LEU 73 2HD2 LEU 73 14.626 8.640 -34.557 612 H ARG 74 H ARG 74 17.742 8.037 -31.528 613 HA ARG 74 HA ARG 74 18.844 10.747 -31.856 614 HB2 ARG 74 2HB ARG 74 19.969 8.226 -30.902 615 HB3 ARG 74 3HB ARG 74 20.961 8.991 -32.137 616 HG2 ARG 74 2HG ARG 74 21.328 10.890 -30.841 617 HG3 ARG 74 3HG ARG 74 19.960 10.543 -29.781 618 HD2 ARG 74 2HD ARG 74 21.836 9.992 -28.501 619 HD3 ARG 74 3HD ARG 74 21.252 8.443 -29.106 620 HE ARG 74 HE ARG 74 23.241 9.609 -30.800 621 HH11 ARG 74 1HH1 ARG 74 22.735 7.738 -27.907 622 HH12 ARG 74 2HH1 ARG 74 24.283 6.964 -27.981 623 HH21 ARG 74 1HH2 ARG 74 25.281 8.595 -30.908 624 HH22 ARG 74 2HH2 ARG 74 25.731 7.452 -29.688 625 H GLY 75 H GLY 75 18.752 11.465 -33.878 626 HA2 GLY 75 2HA GLY 75 19.704 11.289 -36.107 627 HA3 GLY 75 3HA GLY 75 19.367 9.565 -36.051 628 H GLY 76 H GLY 76 18.339 12.475 -37.266 629 HA2 GLY 76 2HA GLY 76 16.091 11.402 -38.554 630 HA3 GLY 76 3HA GLY 76 15.536 12.281 -37.137 Start of MODEL 18 1 H1 GLY 0 H GLY 0 2.449 7.628 0.477 2 HA2 GLY 0 2HA GLY 0 4.479 7.484 -0.719 3 HA3 GLY 0 3HA GLY 0 5.005 6.212 0.373 4 H MET 1 H MET 1 2.678 6.901 -2.218 5 HA MET 1 HA MET 1 2.153 4.143 -2.746 6 HB2 MET 1 2HB MET 1 1.675 6.475 -4.602 7 HB3 MET 1 3HB MET 1 0.863 4.916 -4.616 8 HG2 MET 1 2HG MET 1 0.376 5.838 -2.077 9 HG3 MET 1 3HG MET 1 0.306 7.302 -3.055 10 HE1 MET 1 3HE MET 1 -2.213 6.785 -1.605 11 HE2 MET 1 1HE MET 1 -2.186 7.936 -2.942 12 HE3 MET 1 2HE MET 1 -3.473 6.734 -2.839 13 H GLN 2 H GLN 2 3.044 2.791 -4.228 14 HA GLN 2 HA GLN 2 5.545 3.675 -5.451 15 HB2 GLN 2 2HB GLN 2 5.304 1.544 -4.038 16 HB3 GLN 2 3HB GLN 2 4.482 0.859 -5.433 17 HG2 GLN 2 2HG GLN 2 6.486 1.325 -6.797 18 HG3 GLN 2 3HG GLN 2 7.304 1.899 -5.344 19 HE21 GLN 2 1HE2 GLN 2 6.768 -0.720 -7.308 20 HE22 GLN 2 2HE2 GLN 2 7.278 -1.976 -6.237 21 H ILE 3 H ILE 3 5.662 4.181 -7.530 22 HA ILE 3 HA ILE 3 3.627 3.086 -9.360 23 HB ILE 3 HB ILE 3 4.935 5.744 -9.834 24 HG12 ILE 3 2HG1 ILE 3 3.900 5.848 -7.598 25 HG13 ILE 3 3HG1 ILE 3 3.039 6.852 -8.760 26 HG21 ILE 3 1HG2 ILE 3 2.940 6.143 -11.176 27 HG22 ILE 3 2HG2 ILE 3 3.755 4.664 -11.682 28 HG23 ILE 3 3HG2 ILE 3 2.294 4.573 -10.698 29 HD11 ILE 3 3HD1 ILE 3 1.715 5.369 -7.109 30 HD12 ILE 3 1HD1 ILE 3 1.204 5.464 -8.794 31 HD13 ILE 3 2HD1 ILE 3 2.118 4.066 -8.226 32 H PHE 4 H PHE 4 4.288 2.756 -11.548 33 HA PHE 4 HA PHE 4 7.204 2.465 -11.856 34 HB2 PHE 4 2HB PHE 4 6.922 0.311 -12.391 35 HB3 PHE 4 3HB PHE 4 5.224 0.471 -11.955 36 HD1 PHE 4 HD2 PHE 4 7.631 0.485 -14.725 37 HD2 PHE 4 HD1 PHE 4 3.521 0.612 -13.625 38 HE1 PHE 4 HE2 PHE 4 6.995 0.042 -17.060 39 HE2 PHE 4 HE1 PHE 4 2.879 0.168 -15.958 40 HZ PHE 4 HZ PHE 4 4.617 -0.117 -17.680 41 H VAL 5 H VAL 5 8.131 3.036 -13.803 42 HA VAL 5 HA VAL 5 6.364 4.464 -15.683 43 HB VAL 5 HB VAL 5 8.483 5.770 -16.268 44 HG11 VAL 5 1HG1 VAL 5 6.838 7.000 -15.197 45 HG12 VAL 5 2HG1 VAL 5 6.937 6.039 -13.720 46 HG13 VAL 5 3HG1 VAL 5 8.217 7.187 -14.114 47 HG21 VAL 5 3HG2 VAL 5 10.357 5.632 -15.002 48 HG22 VAL 5 1HG2 VAL 5 9.465 5.252 -13.529 49 HG23 VAL 5 2HG2 VAL 5 9.767 3.993 -14.726 50 H LYS 6 H LYS 6 6.368 3.819 -17.740 51 HA LYS 6 HA LYS 6 8.339 1.797 -18.545 52 HB2 LYS 6 2HB LYS 6 6.116 0.977 -18.770 53 HB3 LYS 6 3HB LYS 6 5.575 2.456 -19.553 54 HG2 LYS 6 2HG LYS 6 6.411 1.858 -21.579 55 HG3 LYS 6 3HG LYS 6 7.727 0.910 -20.882 56 HD2 LYS 6 2HD LYS 6 6.506 -0.978 -20.852 57 HD3 LYS 6 3HD LYS 6 5.050 -0.140 -20.312 58 HE2 LYS 6 2HE LYS 6 5.271 0.795 -22.845 59 HE3 LYS 6 3HE LYS 6 5.954 -0.820 -23.029 60 HZ1 LYS 6 3HZ LYS 6 3.231 -0.047 -22.211 61 HZ2 LYS 6 1HZ LYS 6 3.859 -1.549 -21.751 62 HZ3 LYS 6 2HZ LYS 6 3.716 -1.158 -23.391 63 H THR 7 H THR 7 9.448 1.952 -20.501 64 HA THR 7 HA THR 7 9.735 4.689 -21.495 65 HB THR 7 HB THR 7 11.544 2.656 -22.597 66 HG1 THR 7 HG1 THR 7 12.719 2.633 -20.512 67 HG21 THR 7 3HG2 THR 7 12.987 4.390 -22.644 68 HG22 THR 7 1HG2 THR 7 12.573 4.911 -21.011 69 HG23 THR 7 2HG2 THR 7 11.542 5.362 -22.368 70 H LEU 8 H LEU 8 10.357 4.777 -23.921 71 HA LEU 8 HA LEU 8 8.156 3.556 -25.378 72 HB2 LEU 8 2HB LEU 8 8.950 6.027 -25.484 73 HB3 LEU 8 3HB LEU 8 10.177 5.402 -26.584 74 HG LEU 8 HG LEU 8 8.225 4.461 -27.944 75 HD11 LEU 8 1HD1 LEU 8 6.585 6.605 -26.689 76 HD12 LEU 8 2HD1 LEU 8 6.664 5.026 -25.910 77 HD13 LEU 8 3HD1 LEU 8 6.079 5.162 -27.568 78 HD21 LEU 8 3HD2 LEU 8 9.382 6.211 -28.932 79 HD22 LEU 8 1HD2 LEU 8 8.932 7.357 -27.668 80 HD23 LEU 8 2HD2 LEU 8 7.733 6.834 -28.851 81 H THR 9 H THR 9 10.938 2.353 -24.524 82 HA THR 9 HA THR 9 11.544 1.174 -27.158 83 HB THR 9 HB THR 9 13.452 2.424 -26.322 84 HG1 THR 9 HG1 THR 9 14.013 -0.327 -25.883 85 HG21 THR 9 3HG2 THR 9 13.871 2.574 -24.141 86 HG22 THR 9 1HG2 THR 9 14.279 0.859 -24.105 87 HG23 THR 9 2HG2 THR 9 12.620 1.377 -23.804 88 H GLY 10 H GLY 10 9.836 0.505 -24.536 89 HA2 GLY 10 2HA GLY 10 8.895 -1.581 -24.018 90 HA3 GLY 10 3HA GLY 10 10.233 -2.366 -24.844 91 H LYS 11 H LYS 11 11.353 0.032 -22.782 92 HA LYS 11 HA LYS 11 12.306 -1.975 -20.903 93 HB2 LYS 11 2HB LYS 11 13.107 0.766 -21.687 94 HB3 LYS 11 3HB LYS 11 13.398 0.328 -20.009 95 HG2 LYS 11 2HG LYS 11 14.502 -1.789 -21.007 96 HG3 LYS 11 3HG LYS 11 14.567 -0.842 -22.495 97 HD2 LYS 11 2HD LYS 11 16.081 0.649 -21.641 98 HD3 LYS 11 3HD LYS 11 15.531 0.420 -19.979 99 HE2 LYS 11 2HE LYS 11 16.877 -1.380 -19.639 100 HE3 LYS 11 3HE LYS 11 16.779 -1.908 -21.318 101 HZ1 LYS 11 3HZ LYS 11 18.295 0.497 -20.484 102 HZ2 LYS 11 1HZ LYS 11 18.371 -0.319 -21.964 103 HZ3 LYS 11 2HZ LYS 11 18.995 -1.041 -20.568 104 H THR 12 H THR 12 11.503 -2.278 -18.929 105 HA THR 12 HA THR 12 9.498 -0.365 -17.943 106 HB THR 12 HB THR 12 9.097 -2.446 -16.322 107 HG1 THR 12 HG1 THR 12 10.518 -3.915 -17.069 108 HG21 THR 12 3HG2 THR 12 7.835 -3.147 -18.796 109 HG22 THR 12 1HG2 THR 12 7.867 -1.392 -18.632 110 HG23 THR 12 2HG2 THR 12 7.133 -2.382 -17.370 111 H ILE 13 H ILE 13 10.071 0.924 -16.332 112 HA ILE 13 HA ILE 13 12.153 0.000 -14.460 113 HB ILE 13 HB ILE 13 11.657 2.881 -15.202 114 HG12 ILE 13 2HG1 ILE 13 13.814 1.021 -16.226 115 HG13 ILE 13 3HG1 ILE 13 12.446 1.607 -17.166 116 HG21 ILE 13 1HG2 ILE 13 12.969 3.300 -13.464 117 HG22 ILE 13 2HG2 ILE 13 13.186 1.576 -13.171 118 HG23 ILE 13 3HG2 ILE 13 14.273 2.427 -14.268 119 HD11 ILE 13 3HD1 ILE 13 13.633 3.367 -17.762 120 HD12 ILE 13 1HD1 ILE 13 13.751 3.860 -16.074 121 HD13 ILE 13 2HD1 ILE 13 14.982 2.809 -16.774 122 H THR 14 H THR 14 11.876 0.435 -12.288 123 HA THR 14 HA THR 14 9.203 1.418 -11.529 124 HB THR 14 HB THR 14 10.797 -0.296 -9.675 125 HG1 THR 14 HG1 THR 14 10.078 -2.151 -10.711 126 HG21 THR 14 3HG2 THR 14 8.368 -1.160 -9.339 127 HG22 THR 14 1HG2 THR 14 7.911 0.309 -10.200 128 HG23 THR 14 2HG2 THR 14 8.818 0.416 -8.691 129 H LEU 15 H LEU 15 9.017 2.949 -9.954 130 HA LEU 15 HA LEU 15 11.426 3.803 -8.529 131 HB2 LEU 15 2HB LEU 15 10.684 5.131 -10.750 132 HB3 LEU 15 3HB LEU 15 9.707 5.976 -9.550 133 HG LEU 15 HG LEU 15 12.218 5.933 -8.406 134 HD11 LEU 15 1HD1 LEU 15 13.087 5.103 -10.600 135 HD12 LEU 15 2HD1 LEU 15 13.790 6.626 -10.055 136 HD13 LEU 15 3HD1 LEU 15 12.557 6.625 -11.317 137 HD21 LEU 15 3HD2 LEU 15 10.929 8.068 -10.104 138 HD22 LEU 15 1HD2 LEU 15 12.238 8.324 -8.949 139 HD23 LEU 15 2HD2 LEU 15 10.655 7.793 -8.383 140 H GLU 16 H GLU 16 10.849 5.497 -6.836 141 HA GLU 16 HA GLU 16 8.175 4.943 -5.729 142 HB2 GLU 16 2HB GLU 16 10.708 5.294 -4.120 143 HB3 GLU 16 3HB GLU 16 9.113 4.893 -3.500 144 HG2 GLU 16 2HG GLU 16 9.836 2.787 -3.562 145 HG3 GLU 16 3HG GLU 16 9.518 2.889 -5.292 146 H VAL 17 H VAL 17 7.030 6.653 -5.014 147 HA VAL 17 HA VAL 17 8.330 9.184 -4.445 148 HB VAL 17 HB VAL 17 6.329 10.113 -6.059 149 HG11 VAL 17 1HG1 VAL 17 8.523 11.062 -5.988 150 HG12 VAL 17 2HG1 VAL 17 9.230 9.611 -6.702 151 HG13 VAL 17 3HG1 VAL 17 8.168 10.641 -7.663 152 HG21 VAL 17 3HG2 VAL 17 6.354 8.946 -8.140 153 HG22 VAL 17 1HG2 VAL 17 7.606 7.842 -7.571 154 HG23 VAL 17 2HG2 VAL 17 5.985 7.769 -6.880 155 H GLU 18 H GLU 18 6.396 10.891 -4.122 156 HA GLU 18 HA GLU 18 4.345 9.530 -2.501 157 HB2 GLU 18 2HB GLU 18 6.196 11.734 -1.826 158 HB3 GLU 18 3HB GLU 18 4.534 11.947 -1.295 159 HG2 GLU 18 2HG GLU 18 4.766 9.576 -0.326 160 HG3 GLU 18 3HG GLU 18 6.499 9.832 -0.519 161 HA PRO 19 HA PRO 19 1.219 11.811 -4.565 162 HB2 PRO 19 2HB PRO 19 -0.464 12.509 -2.552 163 HB3 PRO 19 3HB PRO 19 -0.308 10.850 -3.143 164 HG2 PRO 19 2HG PRO 19 0.931 12.128 -0.736 165 HG3 PRO 19 3HG PRO 19 0.185 10.527 -0.894 166 HD2 PRO 19 2HD PRO 19 2.867 10.893 -0.927 167 HD3 PRO 19 3HD PRO 19 2.068 9.604 -1.849 168 H SER 20 H SER 20 2.705 13.389 -1.796 169 HA SER 20 HA SER 20 1.764 16.011 -2.608 170 HB2 SER 20 2HB SER 20 2.648 16.816 -0.584 171 HB3 SER 20 3HB SER 20 2.096 15.192 -0.179 172 HG SER 20 HG SER 20 4.328 15.907 0.472 173 H ASP 21 H ASP 21 4.051 14.040 -3.772 174 HA ASP 21 HA ASP 21 6.166 16.018 -4.079 175 HB2 ASP 21 2HB ASP 21 5.901 13.096 -4.549 176 HB3 ASP 21 3HB ASP 21 7.033 13.970 -5.577 177 H THR 22 H THR 22 6.571 17.156 -5.889 178 HA THR 22 HA THR 22 4.694 16.815 -8.126 179 HB THR 22 HB THR 22 4.506 19.018 -7.296 180 HG1 THR 22 HG1 THR 22 4.590 19.573 -9.337 181 HG21 THR 22 3HG2 THR 22 6.352 19.308 -5.883 182 HG22 THR 22 1HG2 THR 22 6.616 20.482 -7.172 183 HG23 THR 22 2HG2 THR 22 7.506 18.960 -7.169 184 H ILE 23 H ILE 23 5.439 16.865 -10.274 185 HA ILE 23 HA ILE 23 7.722 15.400 -10.840 186 HB ILE 23 HB ILE 23 7.494 16.415 -13.188 187 HG12 ILE 23 2HG1 ILE 23 4.894 17.449 -12.054 188 HG13 ILE 23 3HG1 ILE 23 6.308 18.474 -12.275 189 HG21 ILE 23 1HG2 ILE 23 4.868 15.286 -12.554 190 HG22 ILE 23 2HG2 ILE 23 6.118 14.707 -13.653 191 HG23 ILE 23 3HG2 ILE 23 6.230 14.358 -11.928 192 HD11 ILE 23 3HD1 ILE 23 5.536 16.935 -14.642 193 HD12 ILE 23 1HD1 ILE 23 4.349 18.124 -14.106 194 HD13 ILE 23 2HD1 ILE 23 5.996 18.630 -14.483 195 H GLU 24 H GLU 24 7.300 18.878 -10.569 196 HA GLU 24 HA GLU 24 9.716 19.708 -11.710 197 HB2 GLU 24 2HB GLU 24 7.680 21.098 -10.913 198 HB3 GLU 24 3HB GLU 24 8.484 21.100 -9.350 199 HG2 GLU 24 2HG GLU 24 10.482 21.844 -11.091 200 HG3 GLU 24 3HG GLU 24 9.051 22.643 -11.739 201 H ASN 25 H ASN 25 8.942 18.652 -8.434 202 HA ASN 25 HA ASN 25 11.616 19.173 -7.473 203 HB2 ASN 25 2HB ASN 25 9.622 19.405 -6.006 204 HB3 ASN 25 3HB ASN 25 9.359 17.668 -6.132 205 HD21 ASN 25 1HD2 ASN 25 10.332 16.386 -4.719 206 HD22 ASN 25 2HD2 ASN 25 11.582 16.864 -3.626 207 H VAL 26 H VAL 26 9.881 16.551 -8.892 208 HA VAL 26 HA VAL 26 11.564 14.447 -7.932 209 HB VAL 26 HB VAL 26 9.676 14.520 -10.289 210 HG11 VAL 26 1HG1 VAL 26 11.113 12.759 -10.787 211 HG12 VAL 26 2HG1 VAL 26 11.307 12.310 -9.091 212 HG13 VAL 26 3HG1 VAL 26 9.790 11.973 -9.926 213 HG21 VAL 26 3HG2 VAL 26 8.919 14.759 -7.769 214 HG22 VAL 26 1HG2 VAL 26 8.014 13.766 -8.912 215 HG23 VAL 26 2HG2 VAL 26 9.139 13.009 -7.784 216 H LYS 27 H LYS 27 11.564 16.571 -10.716 217 HA LYS 27 HA LYS 27 13.577 15.116 -12.151 218 HB2 LYS 27 2HB LYS 27 13.547 16.944 -13.709 219 HB3 LYS 27 3HB LYS 27 11.888 16.599 -13.240 220 HG2 LYS 27 2HG LYS 27 11.741 18.525 -11.918 221 HG3 LYS 27 3HG LYS 27 13.492 18.747 -11.896 222 HD2 LYS 27 2HD LYS 27 13.375 20.034 -13.704 223 HD3 LYS 27 3HD LYS 27 12.592 18.734 -14.606 224 HE2 LYS 27 2HE LYS 27 10.422 19.436 -13.789 225 HE3 LYS 27 3HE LYS 27 11.172 20.677 -12.787 226 HZ1 LYS 27 3HZ LYS 27 11.830 20.790 -15.607 227 HZ2 LYS 27 1HZ LYS 27 11.448 22.039 -14.532 228 HZ3 LYS 27 2HZ LYS 27 10.214 21.120 -15.234 229 H ALA 28 H ALA 28 13.529 17.711 -9.816 230 HA ALA 28 HA ALA 28 16.087 18.766 -10.194 231 HB1 ALA 28 1HB ALA 28 14.017 19.257 -8.479 232 HB2 ALA 28 2HB ALA 28 15.254 18.613 -7.398 233 HB3 ALA 28 3HB ALA 28 15.606 20.018 -8.404 234 H LYS 29 H LYS 29 15.011 15.904 -8.462 235 HA LYS 29 HA LYS 29 17.495 15.377 -7.175 236 HB2 LYS 29 2HB LYS 29 15.406 14.453 -6.319 237 HB3 LYS 29 3HB LYS 29 15.175 13.543 -7.806 238 HG2 LYS 29 2HG LYS 29 17.240 12.281 -7.311 239 HG3 LYS 29 3HG LYS 29 17.363 13.144 -5.776 240 HD2 LYS 29 2HD LYS 29 15.727 11.925 -4.818 241 HD3 LYS 29 3HD LYS 29 14.756 11.886 -6.291 242 HE2 LYS 29 2HE LYS 29 15.867 10.030 -7.125 243 HE3 LYS 29 3HE LYS 29 17.288 10.304 -6.117 244 HZ1 LYS 29 3HZ LYS 29 15.265 8.548 -5.604 245 HZ2 LYS 29 1HZ LYS 29 14.933 9.842 -4.566 246 HZ3 LYS 29 2HZ LYS 29 16.435 9.067 -4.498 247 H ILE 30 H ILE 30 16.162 14.644 -10.305 248 HA ILE 30 HA ILE 30 17.936 12.547 -11.003 249 HB ILE 30 HB ILE 30 16.520 14.472 -12.849 250 HG12 ILE 30 2HG1 ILE 30 14.928 13.360 -11.375 251 HG13 ILE 30 3HG1 ILE 30 14.793 12.708 -13.004 252 HG21 ILE 30 1HG2 ILE 30 18.361 12.333 -13.324 253 HG22 ILE 30 2HG2 ILE 30 16.783 11.914 -13.988 254 HG23 ILE 30 3HG2 ILE 30 17.579 13.408 -14.484 255 HD11 ILE 30 3HD1 ILE 30 16.295 10.831 -12.229 256 HD12 ILE 30 1HD1 ILE 30 16.037 11.434 -10.592 257 HD13 ILE 30 2HD1 ILE 30 14.668 10.870 -11.550 258 H GLN 31 H GLN 31 18.064 16.053 -11.378 259 HA GLN 31 HA GLN 31 20.389 16.118 -12.992 260 HB2 GLN 31 2HB GLN 31 18.586 17.998 -11.866 261 HB3 GLN 31 3HB GLN 31 20.208 18.473 -11.380 262 HG2 GLN 31 2HG GLN 31 20.225 17.766 -14.145 263 HG3 GLN 31 3HG GLN 31 18.927 18.920 -13.841 264 HE21 GLN 31 1HE2 GLN 31 19.447 20.964 -12.991 265 HE22 GLN 31 2HE2 GLN 31 21.040 21.617 -13.133 266 H ASP 32 H ASP 32 19.860 15.848 -9.567 267 HA ASP 32 HA ASP 32 22.561 16.516 -8.833 268 HB2 ASP 32 2HB ASP 32 20.075 15.787 -7.444 269 HB3 ASP 32 3HB ASP 32 21.537 15.177 -6.673 270 H LYS 33 H LYS 33 21.111 13.829 -10.202 271 HA LYS 33 HA LYS 33 23.162 12.013 -9.123 272 HB2 LYS 33 2HB LYS 33 20.654 11.458 -8.919 273 HB3 LYS 33 3HB LYS 33 20.718 11.142 -10.647 274 HG2 LYS 33 2HG LYS 33 21.105 9.044 -9.886 275 HG3 LYS 33 3HG LYS 33 22.769 9.632 -9.917 276 HD2 LYS 33 2HD LYS 33 22.015 10.429 -7.449 277 HD3 LYS 33 3HD LYS 33 21.027 8.977 -7.630 278 HE2 LYS 33 2HE LYS 33 22.908 8.015 -6.790 279 HE3 LYS 33 3HE LYS 33 23.335 7.989 -8.500 280 HZ1 LYS 33 3HZ LYS 33 25.084 9.246 -8.057 281 HZ2 LYS 33 1HZ LYS 33 24.695 9.237 -6.410 282 HZ3 LYS 33 2HZ LYS 33 24.099 10.461 -7.413 283 H GLU 34 H GLU 34 21.705 13.282 -12.057 284 HA GLU 34 HA GLU 34 23.957 12.148 -13.580 285 HB2 GLU 34 2HB GLU 34 21.265 12.659 -14.815 286 HB3 GLU 34 3HB GLU 34 22.578 11.658 -15.418 287 HG2 GLU 34 2HG GLU 34 22.152 10.219 -13.327 288 HG3 GLU 34 3HG GLU 34 20.610 11.070 -13.246 289 H GLY 35 H GLY 35 21.693 14.806 -13.158 290 HA2 GLY 35 2HA GLY 35 22.114 17.071 -13.480 291 HA3 GLY 35 3HA GLY 35 23.657 16.654 -14.211 292 H ILE 36 H ILE 36 20.757 15.121 -15.334 293 HA ILE 36 HA ILE 36 21.173 16.144 -17.980 294 HB ILE 36 HB ILE 36 20.361 13.844 -17.571 295 HG12 ILE 36 2HG1 ILE 36 18.236 14.181 -19.157 296 HG13 ILE 36 3HG1 ILE 36 18.918 15.798 -19.293 297 HG21 ILE 36 1HG2 ILE 36 18.714 14.904 -15.733 298 HG22 ILE 36 2HG2 ILE 36 17.598 14.756 -17.089 299 HG23 ILE 36 3HG2 ILE 36 18.446 13.332 -16.487 300 HD11 ILE 36 3HD1 ILE 36 19.631 13.535 -20.740 301 HD12 ILE 36 1HD1 ILE 36 20.460 15.091 -20.711 302 HD13 ILE 36 2HD1 ILE 36 20.962 13.803 -19.615 303 HA PRO 37 HA PRO 37 18.637 19.751 -17.573 304 HB2 PRO 37 2HB PRO 37 18.478 20.350 -20.216 305 HB3 PRO 37 3HB PRO 37 19.928 20.647 -19.249 306 HG2 PRO 37 2HG PRO 37 19.322 18.379 -21.107 307 HG3 PRO 37 3HG PRO 37 20.824 19.303 -20.921 308 HD2 PRO 37 2HD PRO 37 20.473 16.855 -19.818 309 HD3 PRO 37 3HD PRO 37 21.476 18.109 -19.061 310 HA PRO 38 HA PRO 38 14.721 17.615 -18.279 311 HB2 PRO 38 2HB PRO 38 13.271 19.283 -16.703 312 HB3 PRO 38 3HB PRO 38 14.257 17.967 -16.057 313 HG2 PRO 38 2HG PRO 38 14.889 20.886 -16.252 314 HG3 PRO 38 3HG PRO 38 15.181 19.766 -14.909 315 HD2 PRO 38 2HD PRO 38 17.127 20.501 -16.642 316 HD3 PRO 38 3HD PRO 38 17.082 18.898 -15.881 317 H ASP 39 H ASP 39 15.897 20.507 -19.378 318 HA ASP 39 HA ASP 39 13.544 21.844 -20.211 319 HB2 ASP 39 2HB ASP 39 16.442 22.065 -20.741 320 HB3 ASP 39 3HB ASP 39 15.392 22.676 -22.017 321 H GLN 40 H GLN 40 15.109 19.037 -21.335 322 HA GLN 40 HA GLN 40 13.614 19.164 -23.870 323 HB2 GLN 40 2HB GLN 40 16.131 17.626 -23.210 324 HB3 GLN 40 3HB GLN 40 15.253 17.504 -24.729 325 HG2 GLN 40 2HG GLN 40 15.724 20.238 -24.313 326 HG3 GLN 40 3HG GLN 40 17.228 19.407 -23.922 327 HE21 GLN 40 1HE2 GLN 40 14.662 18.982 -26.341 328 HE22 GLN 40 2HE2 GLN 40 15.723 18.914 -27.702 329 H GLN 41 H GLN 41 13.162 18.057 -20.949 330 HA GLN 41 HA GLN 41 12.336 15.347 -21.718 331 HB2 GLN 41 2HB GLN 41 13.059 16.643 -19.134 332 HB3 GLN 41 3HB GLN 41 11.897 15.323 -19.098 333 HG2 GLN 41 2HG GLN 41 14.660 15.173 -20.282 334 HG3 GLN 41 3HG GLN 41 14.193 14.573 -18.691 335 HE21 GLN 41 1HE2 GLN 41 14.126 14.025 -22.090 336 HE22 GLN 41 2HE2 GLN 41 13.437 12.441 -22.040 337 H ARG 42 H ARG 42 10.263 14.904 -22.057 338 HA ARG 42 HA ARG 42 8.248 16.802 -21.044 339 HB2 ARG 42 2HB ARG 42 8.795 16.113 -23.695 340 HB3 ARG 42 3HB ARG 42 7.346 15.203 -23.289 341 HG2 ARG 42 2HG ARG 42 7.630 18.161 -22.829 342 HG3 ARG 42 3HG ARG 42 6.948 17.456 -24.296 343 HD2 ARG 42 2HD ARG 42 4.989 17.073 -23.305 344 HD3 ARG 42 3HD ARG 42 5.765 16.323 -21.910 345 HE ARG 42 HE ARG 42 5.475 18.276 -20.771 346 HH11 ARG 42 1HH1 ARG 42 5.273 18.938 -24.183 347 HH12 ARG 42 2HH1 ARG 42 4.830 20.599 -23.967 348 HH21 ARG 42 1HH2 ARG 42 4.892 20.461 -20.474 349 HH22 ARG 42 2HH2 ARG 42 4.614 21.465 -21.857 350 H LEU 43 H LEU 43 7.135 15.931 -19.431 351 HA LEU 43 HA LEU 43 6.874 13.052 -19.189 352 HB2 LEU 43 2HB LEU 43 5.686 15.139 -17.381 353 HB3 LEU 43 3HB LEU 43 6.033 13.451 -17.010 354 HG LEU 43 HG LEU 43 8.463 14.776 -17.740 355 HD11 LEU 43 1HD1 LEU 43 6.836 16.673 -16.787 356 HD12 LEU 43 2HD1 LEU 43 8.570 16.641 -16.468 357 HD13 LEU 43 3HD1 LEU 43 7.441 16.021 -15.264 358 HD21 LEU 43 3HD2 LEU 43 7.742 12.754 -16.142 359 HD22 LEU 43 1HD2 LEU 43 7.893 14.032 -14.936 360 HD23 LEU 43 2HD2 LEU 43 9.267 13.624 -15.965 361 H ILE 44 H ILE 44 5.126 11.895 -19.701 362 HA ILE 44 HA ILE 44 2.578 13.294 -20.133 363 HB ILE 44 HB ILE 44 2.986 11.044 -21.950 364 HG12 ILE 44 2HG1 ILE 44 4.353 12.688 -23.491 365 HG13 ILE 44 3HG1 ILE 44 4.877 13.364 -21.953 366 HG21 ILE 44 1HG2 ILE 44 2.419 13.673 -23.070 367 HG22 ILE 44 2HG2 ILE 44 1.489 12.178 -23.159 368 HG23 ILE 44 3HG2 ILE 44 1.336 13.229 -21.751 369 HD11 ILE 44 3HD1 ILE 44 6.470 11.826 -21.972 370 HD12 ILE 44 1HD1 ILE 44 5.208 10.644 -21.626 371 HD13 ILE 44 2HD1 ILE 44 5.705 10.942 -23.292 372 H PHE 45 H PHE 45 0.853 12.306 -19.275 373 HA PHE 45 HA PHE 45 0.920 9.447 -18.724 374 HB2 PHE 45 2HB PHE 45 0.163 11.309 -16.487 375 HB3 PHE 45 3HB PHE 45 0.570 9.598 -16.406 376 HD1 PHE 45 HD1 PHE 45 2.950 8.897 -16.764 377 HD2 PHE 45 HD2 PHE 45 1.807 12.964 -16.241 378 HE1 PHE 45 HE1 PHE 45 5.275 9.475 -16.201 379 HE2 PHE 45 HE2 PHE 45 4.130 13.548 -15.678 380 HZ PHE 45 HZ PHE 45 5.867 11.803 -15.658 381 H ALA 46 H ALA 46 -1.023 8.518 -18.986 382 HA ALA 46 HA ALA 46 -3.249 8.251 -19.387 383 HB1 ALA 46 1HB ALA 46 -3.122 10.001 -17.251 384 HB2 ALA 46 2HB ALA 46 -4.212 10.798 -18.387 385 HB3 ALA 46 3HB ALA 46 -4.560 9.160 -17.833 386 H GLY 47 H GLY 47 -1.392 9.928 -21.140 387 HA2 GLY 47 2HA GLY 47 -1.672 10.724 -23.299 388 HA3 GLY 47 3HA GLY 47 -3.412 10.634 -23.072 389 H LYS 48 H LYS 48 -2.187 12.270 -20.483 390 HA LYS 48 HA LYS 48 -2.645 14.870 -21.793 391 HB2 LYS 48 2HB LYS 48 -3.656 13.705 -19.297 392 HB3 LYS 48 3HB LYS 48 -3.022 15.335 -19.112 393 HG2 LYS 48 2HG LYS 48 -4.670 15.213 -21.446 394 HG3 LYS 48 3HG LYS 48 -5.546 14.557 -20.061 395 HD2 LYS 48 2HD LYS 48 -5.193 16.563 -18.804 396 HD3 LYS 48 3HD LYS 48 -4.092 17.199 -20.028 397 HE2 LYS 48 2HE LYS 48 -5.776 17.834 -21.404 398 HE3 LYS 48 3HE LYS 48 -6.802 16.473 -20.953 399 HZ1 LYS 48 3HZ LYS 48 -6.632 19.127 -19.795 400 HZ2 LYS 48 1HZ LYS 48 -6.779 17.862 -18.682 401 HZ3 LYS 48 2HZ LYS 48 -7.947 18.067 -19.888 402 H GLN 49 H GLN 49 -1.188 16.487 -21.512 403 HA GLN 49 HA GLN 49 1.417 15.777 -20.558 404 HB2 GLN 49 2HB GLN 49 0.337 18.442 -21.489 405 HB3 GLN 49 3HB GLN 49 2.033 18.074 -21.208 406 HG2 GLN 49 2HG GLN 49 2.095 17.613 -23.385 407 HG3 GLN 49 3HG GLN 49 1.320 16.096 -22.934 408 HE21 GLN 49 1HE2 GLN 49 0.469 19.462 -23.665 409 HE22 GLN 49 2HE2 GLN 49 -0.939 19.085 -24.592 410 H LEU 50 H LEU 50 2.169 15.974 -18.561 411 HA LEU 50 HA LEU 50 0.583 17.274 -16.530 412 HB2 LEU 50 2HB LEU 50 2.245 15.117 -16.533 413 HB3 LEU 50 3HB LEU 50 3.277 16.354 -15.816 414 HG LEU 50 HG LEU 50 1.320 16.755 -14.196 415 HD11 LEU 50 1HD1 LEU 50 0.155 14.420 -13.879 416 HD12 LEU 50 2HD1 LEU 50 0.461 14.283 -15.610 417 HD13 LEU 50 3HD1 LEU 50 -0.501 15.624 -14.988 418 HD21 LEU 50 3HD2 LEU 50 3.020 15.861 -13.032 419 HD22 LEU 50 1HD2 LEU 50 3.350 14.634 -14.256 420 HD23 LEU 50 2HD2 LEU 50 2.049 14.389 -13.090 421 H GLU 51 H GLU 51 0.959 19.190 -15.569 422 HA GLU 51 HA GLU 51 3.009 20.893 -16.727 423 HB2 GLU 51 2HB GLU 51 0.576 21.583 -16.305 424 HB3 GLU 51 3HB GLU 51 1.022 21.687 -14.608 425 HG2 GLU 51 2HG GLU 51 1.420 23.831 -15.152 426 HG3 GLU 51 3HG GLU 51 2.978 23.175 -15.653 427 H ASP 52 H ASP 52 4.698 21.817 -15.628 428 HA ASP 52 HA ASP 52 5.914 20.390 -13.576 429 HB2 ASP 52 2HB ASP 52 7.362 22.433 -13.307 430 HB3 ASP 52 3HB ASP 52 7.245 21.824 -14.955 431 H GLY 53 H GLY 53 3.426 22.761 -13.433 432 HA2 GLY 53 2HA GLY 53 3.875 23.293 -10.594 433 HA3 GLY 53 3HA GLY 53 2.683 24.075 -11.622 434 H ARG 54 H ARG 54 2.747 20.707 -11.987 435 HA ARG 54 HA ARG 54 0.302 20.488 -10.372 436 HB2 ARG 54 2HB ARG 54 0.957 19.642 -13.006 437 HB3 ARG 54 3HB ARG 54 0.701 18.200 -12.032 438 HG2 ARG 54 2HG ARG 54 -1.413 18.618 -12.826 439 HG3 ARG 54 3HG ARG 54 -1.454 19.426 -11.257 440 HD2 ARG 54 2HD ARG 54 -1.127 21.560 -12.260 441 HD3 ARG 54 3HD ARG 54 -0.765 20.835 -13.826 442 HE ARG 54 HE ARG 54 -3.007 20.726 -14.236 443 HH11 ARG 54 1HH1 ARG 54 -2.513 21.085 -10.808 444 HH12 ARG 54 2HH1 ARG 54 -4.199 21.262 -10.452 445 HH21 ARG 54 1HH2 ARG 54 -5.230 20.958 -13.779 446 HH22 ARG 54 2HH2 ARG 54 -5.744 21.189 -12.142 447 H THR 55 H THR 55 -0.065 18.532 -9.161 448 HA THR 55 HA THR 55 2.448 17.307 -8.227 449 HB THR 55 HB THR 55 0.039 17.155 -6.503 450 HG1 THR 55 HG1 THR 55 -0.122 19.244 -6.208 451 HG21 THR 55 3HG2 THR 55 1.795 16.268 -5.368 452 HG22 THR 55 1HG2 THR 55 2.058 17.954 -4.926 453 HG23 THR 55 2HG2 THR 55 2.986 17.232 -6.240 454 H LEU 56 H LEU 56 2.242 15.082 -7.387 455 HA LEU 56 HA LEU 56 1.107 13.361 -9.285 456 HB2 LEU 56 2HB LEU 56 2.520 13.102 -6.731 457 HB3 LEU 56 3HB LEU 56 1.426 11.768 -7.091 458 HG LEU 56 HG LEU 56 2.625 11.518 -9.290 459 HD11 LEU 56 1HD1 LEU 56 4.747 13.220 -8.011 460 HD12 LEU 56 2HD1 LEU 56 3.595 13.848 -9.189 461 HD13 LEU 56 3HD1 LEU 56 4.711 12.561 -9.646 462 HD21 LEU 56 3HD2 LEU 56 4.846 10.943 -7.667 463 HD22 LEU 56 1HD2 LEU 56 3.554 9.848 -8.162 464 HD23 LEU 56 2HD2 LEU 56 3.419 10.743 -6.648 465 H SER 57 H SER 57 0.075 14.090 -5.956 466 HA SER 57 HA SER 57 -2.183 12.452 -5.904 467 HB2 SER 57 2HB SER 57 -1.073 13.753 -3.978 468 HB3 SER 57 3HB SER 57 -2.065 15.116 -4.498 469 HG SER 57 HG SER 57 -2.776 12.843 -3.145 470 H ASP 58 H ASP 58 -1.719 15.678 -7.197 471 HA ASP 58 HA ASP 58 -4.418 16.376 -7.558 472 HB2 ASP 58 2HB ASP 58 -2.637 18.029 -7.726 473 HB3 ASP 58 3HB ASP 58 -1.976 17.209 -9.138 474 H TYR 59 H TYR 59 -2.319 14.256 -9.318 475 HA TYR 59 HA TYR 59 -4.077 14.149 -11.630 476 HB2 TYR 59 2HB TYR 59 -1.378 13.805 -11.350 477 HB3 TYR 59 3HB TYR 59 -1.941 12.138 -11.416 478 HD1 TYR 59 HD1 TYR 59 -2.982 15.265 -13.188 479 HD2 TYR 59 HD2 TYR 59 -1.587 11.259 -13.517 480 HE1 TYR 59 HE1 TYR 59 -3.134 15.420 -15.638 481 HE2 TYR 59 HE2 TYR 59 -1.734 11.403 -15.968 482 HH TYR 59 HH TYR 59 -2.708 12.633 -17.684 483 H ASN 60 H ASN 60 -4.238 12.915 -8.631 484 HA ASN 60 HA ASN 60 -5.281 11.149 -7.644 485 HB2 ASN 60 2HB ASN 60 -6.726 11.487 -10.238 486 HB3 ASN 60 3HB ASN 60 -7.099 10.081 -9.245 487 HD21 ASN 60 1HD2 ASN 60 -7.481 10.630 -6.882 488 HD22 ASN 60 2HD2 ASN 60 -8.470 12.012 -6.573 489 H ILE 61 H ILE 61 -2.792 10.587 -8.897 490 HA ILE 61 HA ILE 61 -2.932 8.163 -10.388 491 HB ILE 61 HB ILE 61 -0.478 7.990 -9.836 492 HG12 ILE 61 2HG1 ILE 61 -0.261 10.747 -8.955 493 HG13 ILE 61 3HG1 ILE 61 -1.174 9.779 -7.803 494 HG21 ILE 61 1HG2 ILE 61 -1.864 9.762 -11.535 495 HG22 ILE 61 2HG2 ILE 61 -0.477 10.641 -10.893 496 HG23 ILE 61 3HG2 ILE 61 -0.237 9.111 -11.735 497 HD11 ILE 61 3HD1 ILE 61 1.159 9.794 -7.213 498 HD12 ILE 61 1HD1 ILE 61 0.684 8.173 -7.721 499 HD13 ILE 61 2HD1 ILE 61 1.600 9.209 -8.817 500 H GLN 62 H GLN 62 -4.024 6.552 -9.362 501 HA GLN 62 HA GLN 62 -3.680 5.940 -6.597 502 HB2 GLN 62 2HB GLN 62 -5.041 3.950 -7.091 503 HB3 GLN 62 3HB GLN 62 -5.767 5.417 -7.734 504 HG2 GLN 62 2HG GLN 62 -5.142 4.869 -9.946 505 HG3 GLN 62 3HG GLN 62 -4.086 3.568 -9.398 506 HE21 GLN 62 1HE2 GLN 62 -7.307 4.515 -10.146 507 HE22 GLN 62 2HE2 GLN 62 -8.040 2.961 -9.964 508 H LYS 63 H LYS 63 -2.840 3.929 -5.744 509 HA LYS 63 HA LYS 63 -0.225 3.388 -6.528 510 HB2 LYS 63 2HB LYS 63 -0.954 2.883 -4.292 511 HB3 LYS 63 3HB LYS 63 -2.156 1.745 -4.887 512 HG2 LYS 63 2HG LYS 63 -0.659 0.084 -5.131 513 HG3 LYS 63 3HG LYS 63 0.623 1.174 -5.665 514 HD2 LYS 63 2HD LYS 63 1.531 0.910 -3.645 515 HD3 LYS 63 3HD LYS 63 0.194 1.875 -3.015 516 HE2 LYS 63 2HE LYS 63 -1.017 -0.504 -3.124 517 HE3 LYS 63 3HE LYS 63 0.646 -1.052 -2.919 518 HZ1 LYS 63 3HZ LYS 63 -0.904 -0.480 -0.878 519 HZ2 LYS 63 1HZ LYS 63 -0.290 1.073 -1.150 520 HZ3 LYS 63 2HZ LYS 63 0.765 -0.210 -0.834 521 H GLU 64 H GLU 64 0.745 1.778 -7.718 522 HA GLU 64 HA GLU 64 0.958 0.020 -9.174 523 HB2 GLU 64 2HB GLU 64 -2.013 -0.430 -9.108 524 HB3 GLU 64 3HB GLU 64 -0.732 -1.591 -9.429 525 HG2 GLU 64 2HG GLU 64 -0.105 -0.847 -6.911 526 HG3 GLU 64 3HG GLU 64 -1.859 -0.673 -6.879 527 H SER 65 H SER 65 0.093 2.856 -9.773 528 HA SER 65 HA SER 65 -1.374 2.618 -12.255 529 HB2 SER 65 2HB SER 65 -0.410 4.836 -10.539 530 HB3 SER 65 3HB SER 65 -0.535 5.184 -12.263 531 HG SER 65 HG SER 65 -2.493 5.642 -11.242 532 H THR 66 H THR 66 -0.577 3.018 -14.313 533 HA THR 66 HA THR 66 2.314 2.622 -14.591 534 HB THR 66 HB THR 66 0.936 0.998 -15.768 535 HG1 THR 66 HG1 THR 66 2.125 2.830 -17.603 536 HG21 THR 66 3HG2 THR 66 -0.759 3.145 -16.247 537 HG22 THR 66 1HG2 THR 66 -0.925 1.513 -16.894 538 HG23 THR 66 2HG2 THR 66 -0.095 2.754 -17.833 539 H LEU 67 H LEU 67 3.626 4.084 -15.538 540 HA LEU 67 HA LEU 67 2.377 6.525 -16.618 541 HB2 LEU 67 2HB LEU 67 4.976 6.277 -15.111 542 HB3 LEU 67 3HB LEU 67 4.330 7.763 -15.803 543 HG LEU 67 HG LEU 67 3.320 6.215 -13.432 544 HD11 LEU 67 1HD1 LEU 67 5.141 7.903 -13.164 545 HD12 LEU 67 2HD1 LEU 67 3.675 8.253 -12.248 546 HD13 LEU 67 3HD1 LEU 67 4.012 9.129 -13.741 547 HD21 LEU 67 3HD2 LEU 67 1.286 6.686 -14.387 548 HD22 LEU 67 1HD2 LEU 67 1.882 8.128 -15.210 549 HD23 LEU 67 2HD2 LEU 67 1.573 8.168 -13.474 550 H HIS 68 H HIS 68 3.226 7.413 -18.472 551 HA HIS 68 HA HIS 68 5.000 5.652 -19.995 552 HB2 HIS 68 2HB HIS 68 2.674 7.052 -20.669 553 HB3 HIS 68 3HB HIS 68 3.975 7.927 -21.471 554 HD1 HIS 68 HD1 HIS 68 1.795 6.225 -22.970 555 HD2 HIS 68 HD2 HIS 68 5.641 4.957 -22.041 556 HE1 HIS 68 HE1 HIS 68 2.316 4.397 -24.616 557 H LEU 69 H LEU 69 6.998 6.229 -20.640 558 HA LEU 69 HA LEU 69 7.921 8.928 -19.903 559 HB2 LEU 69 2HB LEU 69 8.902 6.393 -19.170 560 HB3 LEU 69 3HB LEU 69 10.076 7.080 -20.291 561 HG LEU 69 HG LEU 69 10.734 7.586 -18.035 562 HD11 LEU 69 1HD1 LEU 69 10.882 9.321 -19.923 563 HD12 LEU 69 2HD1 LEU 69 11.122 9.869 -18.264 564 HD13 LEU 69 3HD1 LEU 69 9.579 10.149 -19.070 565 HD21 LEU 69 3HD2 LEU 69 8.417 9.309 -17.450 566 HD22 LEU 69 1HD2 LEU 69 9.368 8.277 -16.381 567 HD23 LEU 69 2HD2 LEU 69 8.114 7.571 -17.402 568 H VAL 70 H VAL 70 8.917 10.163 -21.402 569 HA VAL 70 HA VAL 70 8.867 9.222 -24.150 570 HB VAL 70 HB VAL 70 8.040 11.514 -23.417 571 HG11 VAL 70 1HG1 VAL 70 9.484 13.189 -22.817 572 HG12 VAL 70 2HG1 VAL 70 10.292 11.801 -22.086 573 HG13 VAL 70 3HG1 VAL 70 10.861 12.444 -23.627 574 HG21 VAL 70 3HG2 VAL 70 8.289 12.218 -25.544 575 HG22 VAL 70 1HG2 VAL 70 10.043 12.033 -25.509 576 HG23 VAL 70 2HG2 VAL 70 9.012 10.628 -25.782 577 H LEU 71 H LEU 71 10.676 9.443 -25.583 578 HA LEU 71 HA LEU 71 13.268 9.216 -24.199 579 HB2 LEU 71 2HB LEU 71 13.912 7.523 -25.588 580 HB3 LEU 71 3HB LEU 71 12.181 7.212 -25.484 581 HG LEU 71 HG LEU 71 12.256 8.786 -27.677 582 HD11 LEU 71 1HD1 LEU 71 14.932 8.338 -27.232 583 HD12 LEU 71 2HD1 LEU 71 14.201 8.813 -28.765 584 HD13 LEU 71 3HD1 LEU 71 14.513 7.111 -28.428 585 HD21 LEU 71 3HD2 LEU 71 12.072 5.948 -27.099 586 HD22 LEU 71 1HD2 LEU 71 12.698 6.265 -28.717 587 HD23 LEU 71 2HD2 LEU 71 11.142 6.936 -28.226 588 H ARG 72 H ARG 72 15.156 9.918 -25.438 589 HA ARG 72 HA ARG 72 14.506 12.265 -27.082 590 HB2 ARG 72 2HB ARG 72 16.747 13.083 -26.495 591 HB3 ARG 72 3HB ARG 72 15.781 12.754 -25.062 592 HG2 ARG 72 2HG ARG 72 17.152 10.379 -25.594 593 HG3 ARG 72 3HG ARG 72 18.325 11.675 -25.839 594 HD2 ARG 72 2HD ARG 72 17.636 12.600 -23.618 595 HD3 ARG 72 3HD ARG 72 16.664 11.148 -23.381 596 HE ARG 72 HE ARG 72 19.514 11.381 -23.143 597 HH11 ARG 72 1HH1 ARG 72 16.876 9.207 -23.804 598 HH12 ARG 72 2HH1 ARG 72 17.750 7.792 -23.321 599 HH21 ARG 72 1HH2 ARG 72 20.675 9.525 -22.505 600 HH22 ARG 72 2HH2 ARG 72 19.911 7.973 -22.581 601 H LEU 73 H LEU 73 14.798 12.091 -29.196 602 HA LEU 73 HA LEU 73 16.305 9.893 -30.307 603 HB2 LEU 73 2HB LEU 73 14.212 10.507 -31.334 604 HB3 LEU 73 3HB LEU 73 14.783 12.155 -31.591 605 HG LEU 73 HG LEU 73 16.554 11.132 -33.111 606 HD11 LEU 73 1HD1 LEU 73 15.776 8.948 -34.129 607 HD12 LEU 73 2HD1 LEU 73 14.748 8.764 -32.708 608 HD13 LEU 73 3HD1 LEU 73 16.500 8.851 -32.523 609 HD21 LEU 73 3HD2 LEU 73 14.672 12.380 -33.978 610 HD22 LEU 73 1HD2 LEU 73 13.637 10.957 -33.856 611 HD23 LEU 73 2HD2 LEU 73 14.979 10.975 -35.000 612 H ARG 74 H ARG 74 18.128 10.047 -31.621 613 HA ARG 74 HA ARG 74 19.682 12.514 -31.247 614 HB2 ARG 74 2HB ARG 74 21.660 11.078 -31.735 615 HB3 ARG 74 3HB ARG 74 20.771 10.593 -30.297 616 HG2 ARG 74 2HG ARG 74 20.671 8.541 -31.113 617 HG3 ARG 74 3HG ARG 74 19.649 9.147 -32.418 618 HD2 ARG 74 2HD ARG 74 21.604 9.604 -33.775 619 HD3 ARG 74 3HD ARG 74 22.664 9.107 -32.456 620 HE ARG 74 HE ARG 74 21.213 7.392 -34.264 621 HH11 ARG 74 1HH1 ARG 74 22.822 7.647 -31.188 622 HH12 ARG 74 2HH1 ARG 74 23.130 5.947 -31.061 623 HH21 ARG 74 1HH2 ARG 74 21.612 5.152 -34.108 624 HH22 ARG 74 2HH2 ARG 74 22.442 4.529 -32.723 625 H GLY 75 H GLY 75 19.692 13.825 -32.947 626 HA2 GLY 75 2HA GLY 75 20.584 14.154 -35.196 627 HA3 GLY 75 3HA GLY 75 19.869 12.608 -35.632 628 H GLY 76 H GLY 76 19.532 15.840 -35.996 629 HA2 GLY 76 2HA GLY 76 17.294 15.959 -37.456 630 HA3 GLY 76 3HA GLY 76 16.632 15.952 -35.828 Start of MODEL 19 1 H1 GLY 0 H GLY 0 2.216 0.903 2.359 2 HA2 GLY 0 2HA GLY 0 2.847 0.849 -0.054 3 HA3 GLY 0 3HA GLY 0 1.109 0.984 0.172 4 H MET 1 H MET 1 3.762 2.287 -1.360 5 HA MET 1 HA MET 1 2.214 4.414 -2.484 6 HB2 MET 1 2HB MET 1 4.145 6.089 -1.800 7 HB3 MET 1 3HB MET 1 2.746 5.833 -0.765 8 HG2 MET 1 2HG MET 1 4.740 5.826 0.566 9 HG3 MET 1 3HG MET 1 4.043 4.208 0.546 10 HE1 MET 1 3HE MET 1 7.016 5.523 -2.451 11 HE2 MET 1 1HE MET 1 6.142 6.566 -1.328 12 HE3 MET 1 2HE MET 1 7.757 5.988 -0.919 13 H GLN 2 H GLN 2 3.722 2.066 -3.331 14 HA GLN 2 HA GLN 2 6.054 3.105 -4.705 15 HB2 GLN 2 2HB GLN 2 5.939 0.791 -3.713 16 HB3 GLN 2 3HB GLN 2 4.797 0.374 -4.984 17 HG2 GLN 2 2HG GLN 2 6.707 1.280 -6.543 18 HG3 GLN 2 3HG GLN 2 7.716 0.897 -5.150 19 HE21 GLN 2 1HE2 GLN 2 8.735 -0.920 -5.621 20 HE22 GLN 2 2HE2 GLN 2 8.000 -2.366 -6.217 21 H ILE 3 H ILE 3 6.242 3.488 -6.870 22 HA ILE 3 HA ILE 3 3.787 3.227 -8.480 23 HB ILE 3 HB ILE 3 4.527 5.610 -7.746 24 HG12 ILE 3 2HG1 ILE 3 4.222 5.844 -10.606 25 HG13 ILE 3 3HG1 ILE 3 3.181 4.567 -9.987 26 HG21 ILE 3 1HG2 ILE 3 6.276 6.635 -8.832 27 HG22 ILE 3 2HG2 ILE 3 6.914 5.006 -8.619 28 HG23 ILE 3 3HG2 ILE 3 6.250 5.496 -10.177 29 HD11 ILE 3 3HD1 ILE 3 3.065 6.935 -8.336 30 HD12 ILE 3 1HD1 ILE 3 2.646 7.276 -10.014 31 HD13 ILE 3 2HD1 ILE 3 1.766 6.036 -9.120 32 H PHE 4 H PHE 4 4.165 3.143 -10.824 33 HA PHE 4 HA PHE 4 6.800 2.028 -11.513 34 HB2 PHE 4 2HB PHE 4 4.287 0.667 -11.497 35 HB3 PHE 4 3HB PHE 4 4.827 0.819 -13.166 36 HD1 PHE 4 HD1 PHE 4 6.063 -0.198 -9.804 37 HD2 PHE 4 HD2 PHE 4 6.306 -0.729 -14.020 38 HE1 PHE 4 HE1 PHE 4 7.597 -2.093 -9.474 39 HE2 PHE 4 HE2 PHE 4 7.840 -2.625 -13.697 40 HZ PHE 4 HZ PHE 4 8.487 -3.310 -11.421 41 H VAL 5 H VAL 5 7.660 2.673 -13.422 42 HA VAL 5 HA VAL 5 6.006 4.435 -15.111 43 HB VAL 5 HB VAL 5 8.964 4.697 -14.550 44 HG11 VAL 5 1HG1 VAL 5 8.862 6.726 -15.873 45 HG12 VAL 5 2HG1 VAL 5 8.330 5.348 -16.838 46 HG13 VAL 5 3HG1 VAL 5 7.143 6.471 -16.174 47 HG21 VAL 5 3HG2 VAL 5 8.493 6.516 -13.180 48 HG22 VAL 5 1HG2 VAL 5 6.865 6.708 -13.829 49 HG23 VAL 5 2HG2 VAL 5 7.231 5.361 -12.750 50 H LYS 6 H LYS 6 5.869 3.919 -17.200 51 HA LYS 6 HA LYS 6 7.627 1.790 -18.211 52 HB2 LYS 6 2HB LYS 6 5.111 1.445 -18.157 53 HB3 LYS 6 3HB LYS 6 5.002 2.682 -19.404 54 HG2 LYS 6 2HG LYS 6 6.762 1.136 -20.610 55 HG3 LYS 6 3HG LYS 6 6.046 -0.094 -19.566 56 HD2 LYS 6 2HD LYS 6 3.821 0.488 -20.433 57 HD3 LYS 6 3HD LYS 6 4.559 1.687 -21.497 58 HE2 LYS 6 2HE LYS 6 5.958 -0.694 -21.952 59 HE3 LYS 6 3HE LYS 6 4.258 -1.154 -21.863 60 HZ1 LYS 6 3HZ LYS 6 4.457 1.176 -23.398 61 HZ2 LYS 6 1HZ LYS 6 3.981 -0.369 -23.898 62 HZ3 LYS 6 2HZ LYS 6 5.609 0.082 -23.979 63 H THR 7 H THR 7 8.890 2.105 -19.960 64 HA THR 7 HA THR 7 9.000 4.820 -21.045 65 HB THR 7 HB THR 7 11.194 4.201 -21.940 66 HG1 THR 7 HG1 THR 7 11.612 2.152 -22.209 67 HG21 THR 7 3HG2 THR 7 12.146 4.679 -19.975 68 HG22 THR 7 1HG2 THR 7 11.626 3.149 -19.270 69 HG23 THR 7 2HG2 THR 7 10.538 4.538 -19.265 70 H LEU 8 H LEU 8 9.812 4.825 -23.444 71 HA LEU 8 HA LEU 8 7.730 3.551 -24.983 72 HB2 LEU 8 2HB LEU 8 8.897 5.935 -25.209 73 HB3 LEU 8 3HB LEU 8 9.936 5.028 -26.306 74 HG LEU 8 HG LEU 8 6.975 4.885 -26.656 75 HD11 LEU 8 1HD1 LEU 8 7.474 6.856 -28.334 76 HD12 LEU 8 2HD1 LEU 8 8.699 7.258 -27.131 77 HD13 LEU 8 3HD1 LEU 8 7.001 7.166 -26.664 78 HD21 LEU 8 3HD2 LEU 8 7.549 3.844 -28.531 79 HD22 LEU 8 1HD2 LEU 8 9.229 3.902 -27.996 80 HD23 LEU 8 2HD2 LEU 8 8.584 5.188 -29.016 81 H THR 9 H THR 9 10.943 2.845 -24.128 82 HA THR 9 HA THR 9 11.456 1.183 -26.461 83 HB THR 9 HB THR 9 13.388 0.734 -24.409 84 HG1 THR 9 HG1 THR 9 13.480 2.619 -23.469 85 HG21 THR 9 3HG2 THR 9 14.636 2.317 -26.218 86 HG22 THR 9 1HG2 THR 9 13.249 1.775 -27.162 87 HG23 THR 9 2HG2 THR 9 14.347 0.593 -26.450 88 H GLY 10 H GLY 10 9.420 0.731 -24.115 89 HA2 GLY 10 2HA GLY 10 8.399 -1.209 -23.372 90 HA3 GLY 10 3HA GLY 10 9.658 -2.135 -24.175 91 H LYS 11 H LYS 11 10.921 0.265 -22.164 92 HA LYS 11 HA LYS 11 11.707 -1.762 -20.213 93 HB2 LYS 11 2HB LYS 11 13.198 0.100 -21.449 94 HB3 LYS 11 3HB LYS 11 12.737 1.016 -20.020 95 HG2 LYS 11 2HG LYS 11 14.070 -0.176 -18.672 96 HG3 LYS 11 3HG LYS 11 13.685 -1.702 -19.470 97 HD2 LYS 11 2HD LYS 11 15.191 -0.031 -21.248 98 HD3 LYS 11 3HD LYS 11 16.036 -0.174 -19.705 99 HE2 LYS 11 2HE LYS 11 15.933 -2.593 -19.844 100 HE3 LYS 11 3HE LYS 11 14.998 -2.491 -21.335 101 HZ1 LYS 11 3HZ LYS 11 17.277 -2.933 -21.861 102 HZ2 LYS 11 1HZ LYS 11 17.807 -1.614 -20.944 103 HZ3 LYS 11 2HZ LYS 11 16.915 -1.356 -22.358 104 H THR 12 H THR 12 10.993 -1.814 -18.170 105 HA THR 12 HA THR 12 9.296 0.418 -17.256 106 HB THR 12 HB THR 12 8.050 -1.696 -17.642 107 HG1 THR 12 HG1 THR 12 8.218 -0.354 -15.221 108 HG21 THR 12 3HG2 THR 12 9.543 -2.814 -15.281 109 HG22 THR 12 1HG2 THR 12 10.026 -3.149 -16.943 110 HG23 THR 12 2HG2 THR 12 8.433 -3.646 -16.370 111 H ILE 13 H ILE 13 9.837 1.412 -15.415 112 HA ILE 13 HA ILE 13 11.806 0.108 -13.654 113 HB ILE 13 HB ILE 13 11.694 3.079 -14.152 114 HG12 ILE 13 2HG1 ILE 13 13.624 1.075 -15.342 115 HG13 ILE 13 3HG1 ILE 13 12.306 1.841 -16.222 116 HG21 ILE 13 1HG2 ILE 13 13.498 1.245 -12.625 117 HG22 ILE 13 2HG2 ILE 13 14.093 2.791 -13.227 118 HG23 ILE 13 3HG2 ILE 13 12.733 2.746 -12.106 119 HD11 ILE 13 3HD1 ILE 13 13.573 4.013 -15.260 120 HD12 ILE 13 1HD1 ILE 13 14.928 2.900 -15.441 121 HD13 ILE 13 2HD1 ILE 13 13.909 3.283 -16.829 122 H THR 14 H THR 14 11.699 0.661 -11.426 123 HA THR 14 HA THR 14 9.046 1.648 -10.608 124 HB THR 14 HB THR 14 9.609 -0.743 -10.042 125 HG1 THR 14 HG1 THR 14 8.881 -0.459 -7.827 126 HG21 THR 14 3HG2 THR 14 12.042 0.173 -9.342 127 HG22 THR 14 1HG2 THR 14 11.351 -1.322 -8.711 128 HG23 THR 14 2HG2 THR 14 11.258 0.162 -7.763 129 H LEU 15 H LEU 15 8.879 3.273 -9.145 130 HA LEU 15 HA LEU 15 11.299 4.224 -7.800 131 HB2 LEU 15 2HB LEU 15 10.027 5.513 -10.017 132 HB3 LEU 15 3HB LEU 15 9.861 6.520 -8.580 133 HG LEU 15 HG LEU 15 12.547 5.713 -8.640 134 HD11 LEU 15 1HD1 LEU 15 11.688 6.735 -11.341 135 HD12 LEU 15 2HD1 LEU 15 12.146 5.067 -11.002 136 HD13 LEU 15 3HD1 LEU 15 13.329 6.362 -10.813 137 HD21 LEU 15 3HD2 LEU 15 11.526 7.861 -7.865 138 HD22 LEU 15 1HD2 LEU 15 11.390 8.339 -9.557 139 HD23 LEU 15 2HD2 LEU 15 12.979 8.051 -8.847 140 H GLU 16 H GLU 16 10.752 5.952 -6.161 141 HA GLU 16 HA GLU 16 8.066 5.520 -5.036 142 HB2 GLU 16 2HB GLU 16 9.244 5.742 -2.763 143 HB3 GLU 16 3HB GLU 16 9.402 4.217 -3.623 144 HG2 GLU 16 2HG GLU 16 11.602 4.967 -4.464 145 HG3 GLU 16 3HG GLU 16 11.444 6.422 -3.482 146 H VAL 17 H VAL 17 7.028 7.291 -4.284 147 HA VAL 17 HA VAL 17 8.475 9.754 -3.772 148 HB VAL 17 HB VAL 17 6.880 11.036 -5.287 149 HG11 VAL 17 1HG1 VAL 17 8.844 9.244 -6.704 150 HG12 VAL 17 2HG1 VAL 17 8.338 10.869 -7.170 151 HG13 VAL 17 3HG1 VAL 17 9.312 10.629 -5.719 152 HG21 VAL 17 3HG2 VAL 17 6.596 8.339 -6.608 153 HG22 VAL 17 1HG2 VAL 17 5.336 9.135 -5.664 154 HG23 VAL 17 2HG2 VAL 17 5.913 9.868 -7.161 155 H GLU 18 H GLU 18 6.644 11.563 -3.408 156 HA GLU 18 HA GLU 18 4.579 10.324 -1.710 157 HB2 GLU 18 2HB GLU 18 5.336 13.020 -0.913 158 HB3 GLU 18 3HB GLU 18 5.194 11.561 0.057 159 HG2 GLU 18 2HG GLU 18 7.442 10.882 -0.888 160 HG3 GLU 18 3HG GLU 18 7.568 12.531 -1.500 161 HA PRO 19 HA PRO 19 1.495 12.727 -3.697 162 HB2 PRO 19 2HB PRO 19 -0.065 13.567 -1.639 163 HB3 PRO 19 3HB PRO 19 -0.023 11.888 -2.190 164 HG2 PRO 19 2HG PRO 19 1.381 13.157 0.130 165 HG3 PRO 19 3HG PRO 19 0.544 11.596 0.047 166 HD2 PRO 19 2HD PRO 19 3.239 11.813 -0.102 167 HD3 PRO 19 3HD PRO 19 2.334 10.546 -0.956 168 H SER 20 H SER 20 3.178 14.291 -1.035 169 HA SER 20 HA SER 20 2.327 16.939 -1.831 170 HB2 SER 20 2HB SER 20 3.256 15.822 0.543 171 HB3 SER 20 3HB SER 20 4.583 16.854 0.009 172 HG SER 20 HG SER 20 3.379 18.581 0.304 173 H ASP 21 H ASP 21 4.369 14.857 -3.198 174 HA ASP 21 HA ASP 21 6.591 16.663 -3.681 175 HB2 ASP 21 2HB ASP 21 6.224 13.855 -3.761 176 HB3 ASP 21 3HB ASP 21 6.637 14.366 -5.396 177 H THR 22 H THR 22 6.939 17.823 -5.496 178 HA THR 22 HA THR 22 4.792 17.815 -7.501 179 HB THR 22 HB THR 22 5.382 20.058 -8.054 180 HG1 THR 22 HG1 THR 22 7.299 20.914 -7.600 181 HG21 THR 22 3HG2 THR 22 4.486 20.991 -6.218 182 HG22 THR 22 1HG2 THR 22 5.800 20.436 -5.182 183 HG23 THR 22 2HG2 THR 22 4.464 19.352 -5.568 184 H ILE 23 H ILE 23 5.353 18.085 -9.751 185 HA ILE 23 HA ILE 23 7.268 16.274 -10.662 186 HB ILE 23 HB ILE 23 6.081 18.593 -12.191 187 HG12 ILE 23 2HG1 ILE 23 4.337 17.180 -11.247 188 HG13 ILE 23 3HG1 ILE 23 4.438 16.920 -12.985 189 HG21 ILE 23 1HG2 ILE 23 8.051 16.674 -12.908 190 HG22 ILE 23 2HG2 ILE 23 6.581 16.328 -13.817 191 HG23 ILE 23 3HG2 ILE 23 7.317 17.928 -13.908 192 HD11 ILE 23 3HD1 ILE 23 5.969 14.936 -12.346 193 HD12 ILE 23 1HD1 ILE 23 5.232 15.108 -10.753 194 HD13 ILE 23 2HD1 ILE 23 4.222 14.782 -12.162 195 H GLU 24 H GLU 24 7.454 19.762 -10.192 196 HA GLU 24 HA GLU 24 9.908 20.200 -11.489 197 HB2 GLU 24 2HB GLU 24 8.071 21.808 -10.317 198 HB3 GLU 24 3HB GLU 24 9.335 21.836 -9.095 199 HG2 GLU 24 2HG GLU 24 10.416 22.203 -11.749 200 HG3 GLU 24 3HG GLU 24 9.181 23.403 -11.373 201 H ASN 25 H ASN 25 9.131 19.258 -8.179 202 HA ASN 25 HA ASN 25 11.810 19.426 -7.219 203 HB2 ASN 25 2HB ASN 25 9.398 19.240 -6.000 204 HB3 ASN 25 3HB ASN 25 9.944 17.570 -5.866 205 HD21 ASN 25 1HD2 ASN 25 12.513 17.652 -5.376 206 HD22 ASN 25 2HD2 ASN 25 12.878 18.557 -3.950 207 H VAL 26 H VAL 26 9.802 16.835 -8.521 208 HA VAL 26 HA VAL 26 11.550 14.696 -7.965 209 HB VAL 26 HB VAL 26 9.549 14.946 -10.216 210 HG11 VAL 26 1HG1 VAL 26 10.920 13.139 -10.784 211 HG12 VAL 26 2HG1 VAL 26 11.088 12.621 -9.105 212 HG13 VAL 26 3HG1 VAL 26 9.555 12.398 -9.949 213 HG21 VAL 26 3HG2 VAL 26 8.521 13.270 -8.268 214 HG22 VAL 26 1HG2 VAL 26 9.256 14.586 -7.352 215 HG23 VAL 26 2HG2 VAL 26 8.036 14.937 -8.575 216 H LYS 27 H LYS 27 11.261 16.863 -10.742 217 HA LYS 27 HA LYS 27 12.927 15.646 -12.557 218 HB2 LYS 27 2HB LYS 27 11.726 17.636 -13.159 219 HB3 LYS 27 3HB LYS 27 12.576 18.581 -11.943 220 HG2 LYS 27 2HG LYS 27 14.648 17.665 -13.432 221 HG3 LYS 27 3HG LYS 27 13.386 17.826 -14.656 222 HD2 LYS 27 2HD LYS 27 13.840 20.004 -14.730 223 HD3 LYS 27 3HD LYS 27 13.204 20.135 -13.088 224 HE2 LYS 27 2HE LYS 27 15.680 19.237 -12.554 225 HE3 LYS 27 3HE LYS 27 15.997 20.107 -14.054 226 HZ1 LYS 27 3HZ LYS 27 14.818 22.035 -13.003 227 HZ2 LYS 27 1HZ LYS 27 16.303 21.632 -12.301 228 HZ3 LYS 27 2HZ LYS 27 14.859 21.187 -11.540 229 H ALA 28 H ALA 28 13.830 17.713 -9.828 230 HA ALA 28 HA ALA 28 16.570 17.895 -10.339 231 HB1 ALA 28 1HB ALA 28 15.116 19.105 -8.580 232 HB2 ALA 28 2HB ALA 28 15.501 17.728 -7.548 233 HB3 ALA 28 3HB ALA 28 16.796 18.738 -8.189 234 H LYS 29 H LYS 29 14.694 15.404 -8.693 235 HA LYS 29 HA LYS 29 16.835 13.931 -7.630 236 HB2 LYS 29 2HB LYS 29 14.277 13.719 -7.223 237 HB3 LYS 29 3HB LYS 29 14.309 12.633 -8.607 238 HG2 LYS 29 2HG LYS 29 14.948 10.971 -7.299 239 HG3 LYS 29 3HG LYS 29 16.397 11.869 -6.844 240 HD2 LYS 29 2HD LYS 29 15.547 11.840 -4.771 241 HD3 LYS 29 3HD LYS 29 14.448 13.094 -5.353 242 HE2 LYS 29 2HE LYS 29 12.674 11.685 -5.442 243 HE3 LYS 29 3HE LYS 29 13.662 10.296 -5.894 244 HZ1 LYS 29 3HZ LYS 29 12.643 10.918 -3.382 245 HZ2 LYS 29 1HZ LYS 29 14.323 11.094 -3.278 246 HZ3 LYS 29 2HZ LYS 29 13.657 9.629 -3.798 247 H ILE 30 H ILE 30 15.223 13.786 -10.772 248 HA ILE 30 HA ILE 30 16.618 11.502 -11.715 249 HB ILE 30 HB ILE 30 15.143 13.696 -13.160 250 HG12 ILE 30 2HG1 ILE 30 13.815 11.398 -13.669 251 HG13 ILE 30 3HG1 ILE 30 14.497 11.008 -12.094 252 HG21 ILE 30 1HG2 ILE 30 16.680 13.028 -14.780 253 HG22 ILE 30 2HG2 ILE 30 16.648 11.346 -14.252 254 HG23 ILE 30 3HG2 ILE 30 15.267 12.026 -15.111 255 HD11 ILE 30 3HD1 ILE 30 13.119 13.615 -12.423 256 HD12 ILE 30 1HD1 ILE 30 12.144 12.149 -12.337 257 HD13 ILE 30 2HD1 ILE 30 13.234 12.562 -11.013 258 H GLN 31 H GLN 31 17.174 14.982 -12.008 259 HA GLN 31 HA GLN 31 19.391 14.773 -13.767 260 HB2 GLN 31 2HB GLN 31 18.121 16.844 -13.561 261 HB3 GLN 31 3HB GLN 31 18.595 16.991 -11.874 262 HG2 GLN 31 2HG GLN 31 21.008 16.980 -12.806 263 HG3 GLN 31 3HG GLN 31 20.234 17.386 -14.337 264 HE21 GLN 31 1HE2 GLN 31 21.165 18.494 -11.227 265 HE22 GLN 31 2HE2 GLN 31 20.672 20.138 -11.419 266 H ASP 32 H ASP 32 19.029 14.651 -10.298 267 HA ASP 32 HA ASP 32 21.833 14.943 -9.740 268 HB2 ASP 32 2HB ASP 32 19.599 15.254 -8.232 269 HB3 ASP 32 3HB ASP 32 20.112 13.649 -7.717 270 H LYS 33 H LYS 33 19.965 12.457 -10.966 271 HA LYS 33 HA LYS 33 21.776 10.387 -9.922 272 HB2 LYS 33 2HB LYS 33 19.023 10.401 -10.050 273 HB3 LYS 33 3HB LYS 33 19.468 9.473 -11.476 274 HG2 LYS 33 2HG LYS 33 21.081 8.383 -9.560 275 HG3 LYS 33 3HG LYS 33 19.618 8.765 -8.649 276 HD2 LYS 33 2HD LYS 33 18.671 7.660 -11.007 277 HD3 LYS 33 3HD LYS 33 20.092 6.687 -10.622 278 HE2 LYS 33 2HE LYS 33 19.073 6.645 -8.226 279 HE3 LYS 33 3HE LYS 33 17.577 7.081 -9.052 280 HZ1 LYS 33 3HZ LYS 33 17.507 5.087 -10.167 281 HZ2 LYS 33 1HZ LYS 33 18.157 4.604 -8.682 282 HZ3 LYS 33 2HZ LYS 33 19.169 4.804 -10.022 283 H GLU 34 H GLU 34 20.317 11.656 -12.887 284 HA GLU 34 HA GLU 34 22.446 10.302 -14.410 285 HB2 GLU 34 2HB GLU 34 19.548 10.726 -15.089 286 HB3 GLU 34 3HB GLU 34 20.747 10.465 -16.347 287 HG2 GLU 34 2HG GLU 34 20.360 8.570 -14.052 288 HG3 GLU 34 3HG GLU 34 19.474 8.435 -15.570 289 H GLY 35 H GLY 35 20.495 13.187 -13.984 290 HA2 GLY 35 2HA GLY 35 21.161 15.385 -14.381 291 HA3 GLY 35 3HA GLY 35 22.583 14.777 -15.216 292 H ILE 36 H ILE 36 19.556 13.452 -16.152 293 HA ILE 36 HA ILE 36 19.821 14.201 -18.833 294 HB ILE 36 HB ILE 36 17.447 13.229 -17.260 295 HG12 ILE 36 2HG1 ILE 36 19.005 11.893 -19.477 296 HG13 ILE 36 3HG1 ILE 36 19.411 11.716 -17.774 297 HG21 ILE 36 1HG2 ILE 36 17.531 14.381 -19.954 298 HG22 ILE 36 2HG2 ILE 36 16.748 12.805 -19.852 299 HG23 ILE 36 3HG2 ILE 36 16.168 14.144 -18.861 300 HD11 ILE 36 3HD1 ILE 36 18.037 9.874 -18.800 301 HD12 ILE 36 1HD1 ILE 36 17.402 10.581 -17.315 302 HD13 ILE 36 2HD1 ILE 36 16.706 11.028 -18.873 303 HA PRO 37 HA PRO 37 18.477 18.422 -18.697 304 HB2 PRO 37 2HB PRO 37 18.290 18.788 -21.381 305 HB3 PRO 37 3HB PRO 37 19.835 18.742 -20.523 306 HG2 PRO 37 2HG PRO 37 18.468 16.582 -22.082 307 HG3 PRO 37 3HG PRO 37 20.180 17.043 -22.073 308 HD2 PRO 37 2HD PRO 37 19.236 14.919 -20.684 309 HD3 PRO 37 3HD PRO 37 20.609 15.893 -20.122 310 HA PRO 38 HA PRO 38 14.073 17.462 -18.971 311 HB2 PRO 38 2HB PRO 38 13.284 19.627 -17.535 312 HB3 PRO 38 3HB PRO 38 13.903 18.150 -16.786 313 HG2 PRO 38 2HG PRO 38 15.321 20.726 -17.348 314 HG3 PRO 38 3HG PRO 38 15.386 19.706 -15.899 315 HD2 PRO 38 2HD PRO 38 17.320 19.670 -17.794 316 HD3 PRO 38 3HD PRO 38 16.880 18.232 -16.850 317 H ASP 39 H ASP 39 15.929 19.927 -20.309 318 HA ASP 39 HA ASP 39 13.856 21.626 -21.284 319 HB2 ASP 39 2HB ASP 39 16.282 22.270 -21.021 320 HB3 ASP 39 3HB ASP 39 16.626 21.288 -22.442 321 H GLN 40 H GLN 40 15.196 18.618 -22.303 322 HA GLN 40 HA GLN 40 13.651 18.788 -24.806 323 HB2 GLN 40 2HB GLN 40 15.251 17.098 -25.719 324 HB3 GLN 40 3HB GLN 40 15.977 18.661 -25.369 325 HG2 GLN 40 2HG GLN 40 16.841 17.760 -23.250 326 HG3 GLN 40 3HG GLN 40 16.164 16.187 -23.667 327 HE21 GLN 40 1HE2 GLN 40 18.024 18.654 -25.416 328 HE22 GLN 40 2HE2 GLN 40 19.250 17.574 -25.979 329 H GLN 41 H GLN 41 13.481 17.579 -21.835 330 HA GLN 41 HA GLN 41 12.530 14.919 -22.618 331 HB2 GLN 41 2HB GLN 41 14.057 15.704 -20.485 332 HB3 GLN 41 3HB GLN 41 12.453 15.631 -19.769 333 HG2 GLN 41 2HG GLN 41 12.397 13.300 -21.011 334 HG3 GLN 41 3HG GLN 41 14.147 13.458 -20.861 335 HE21 GLN 41 1HE2 GLN 41 11.384 12.384 -19.383 336 HE22 GLN 41 2HE2 GLN 41 11.970 12.251 -17.763 337 H ARG 42 H ARG 42 10.429 14.402 -22.641 338 HA ARG 42 HA ARG 42 8.519 16.248 -21.378 339 HB2 ARG 42 2HB ARG 42 6.997 15.725 -23.363 340 HB3 ARG 42 3HB ARG 42 8.338 16.825 -23.652 341 HG2 ARG 42 2HG ARG 42 9.429 15.365 -25.008 342 HG3 ARG 42 3HG ARG 42 8.797 13.945 -24.172 343 HD2 ARG 42 2HD ARG 42 7.807 14.021 -26.345 344 HD3 ARG 42 3HD ARG 42 6.565 14.444 -25.167 345 HE ARG 42 HE ARG 42 7.881 16.747 -26.221 346 HH11 ARG 42 1HH1 ARG 42 5.419 14.374 -26.872 347 HH12 ARG 42 2HH1 ARG 42 4.520 15.408 -27.933 348 HH21 ARG 42 1HH2 ARG 42 6.707 18.117 -27.615 349 HH22 ARG 42 2HH2 ARG 42 5.254 17.536 -28.356 350 H LEU 43 H LEU 43 6.998 15.295 -20.169 351 HA LEU 43 HA LEU 43 6.807 12.360 -20.284 352 HB2 LEU 43 2HB LEU 43 5.957 14.070 -17.969 353 HB3 LEU 43 3HB LEU 43 6.293 12.340 -17.989 354 HG LEU 43 HG LEU 43 8.391 14.477 -18.349 355 HD11 LEU 43 1HD1 LEU 43 7.018 13.838 -16.011 356 HD12 LEU 43 2HD1 LEU 43 8.543 14.713 -16.147 357 HD13 LEU 43 3HD1 LEU 43 8.548 12.967 -15.900 358 HD21 LEU 43 3HD2 LEU 43 9.463 12.677 -19.183 359 HD22 LEU 43 1HD2 LEU 43 8.366 11.531 -18.412 360 HD23 LEU 43 2HD2 LEU 43 9.668 12.269 -17.478 361 H ILE 44 H ILE 44 4.878 11.392 -20.600 362 HA ILE 44 HA ILE 44 2.484 13.106 -20.696 363 HB ILE 44 HB ILE 44 2.959 10.810 -22.588 364 HG12 ILE 44 2HG1 ILE 44 4.671 12.517 -22.993 365 HG13 ILE 44 3HG1 ILE 44 3.496 12.490 -24.304 366 HG21 ILE 44 1HG2 ILE 44 1.225 12.642 -23.720 367 HG22 ILE 44 2HG2 ILE 44 0.784 11.119 -22.951 368 HG23 ILE 44 3HG2 ILE 44 0.763 12.615 -22.019 369 HD11 ILE 44 3HD1 ILE 44 2.451 14.363 -22.604 370 HD12 ILE 44 1HD1 ILE 44 4.189 14.621 -22.452 371 HD13 ILE 44 2HD1 ILE 44 3.421 14.696 -24.039 372 H PHE 45 H PHE 45 0.582 12.227 -19.959 373 HA PHE 45 HA PHE 45 0.292 9.448 -19.360 374 HB2 PHE 45 2HB PHE 45 1.694 9.994 -17.468 375 HB3 PHE 45 3HB PHE 45 0.693 11.388 -17.076 376 HD1 PHE 45 HD2 PHE 45 0.103 7.759 -17.739 377 HD2 PHE 45 HD1 PHE 45 -0.584 11.107 -15.204 378 HE1 PHE 45 HE2 PHE 45 -1.267 6.351 -16.258 379 HE2 PHE 45 HE1 PHE 45 -1.955 9.705 -13.717 380 HZ PHE 45 HZ PHE 45 -2.299 7.324 -14.244 381 H ALA 46 H ALA 46 -1.811 8.919 -19.329 382 HA ALA 46 HA ALA 46 -4.080 9.105 -19.378 383 HB1 ALA 46 1HB ALA 46 -5.135 10.445 -17.797 384 HB2 ALA 46 2HB ALA 46 -3.543 10.160 -17.090 385 HB3 ALA 46 3HB ALA 46 -3.893 11.695 -17.884 386 H GLY 47 H GLY 47 -2.255 10.548 -21.326 387 HA2 GLY 47 2HA GLY 47 -2.721 11.601 -23.338 388 HA3 GLY 47 3HA GLY 47 -4.373 11.844 -22.791 389 H LYS 48 H LYS 48 -2.529 12.944 -20.338 390 HA LYS 48 HA LYS 48 -2.576 15.694 -21.390 391 HB2 LYS 48 2HB LYS 48 -3.235 14.519 -18.741 392 HB3 LYS 48 3HB LYS 48 -2.463 16.099 -18.743 393 HG2 LYS 48 2HG LYS 48 -4.478 16.973 -19.023 394 HG3 LYS 48 3HG LYS 48 -4.462 16.306 -20.657 395 HD2 LYS 48 2HD LYS 48 -6.309 15.207 -20.014 396 HD3 LYS 48 3HD LYS 48 -5.191 14.136 -19.165 397 HE2 LYS 48 2HE LYS 48 -5.402 15.743 -17.202 398 HE3 LYS 48 3HE LYS 48 -6.770 16.446 -18.064 399 HZ1 LYS 48 3HZ LYS 48 -7.155 14.565 -16.346 400 HZ2 LYS 48 1HZ LYS 48 -6.685 13.543 -17.610 401 HZ3 LYS 48 2HZ LYS 48 -8.024 14.559 -17.797 402 H GLN 49 H GLN 49 -0.750 16.869 -21.416 403 HA GLN 49 HA GLN 49 1.747 15.584 -20.945 404 HB2 GLN 49 2HB GLN 49 2.691 17.862 -21.474 405 HB3 GLN 49 3HB GLN 49 1.656 17.169 -22.715 406 HG2 GLN 49 2HG GLN 49 0.255 18.850 -20.771 407 HG3 GLN 49 3HG GLN 49 1.458 19.696 -21.743 408 HE21 GLN 49 1HE2 GLN 49 -0.653 20.753 -22.382 409 HE22 GLN 49 2HE2 GLN 49 -1.465 20.086 -23.753 410 H LEU 50 H LEU 50 2.755 15.363 -19.070 411 HA LEU 50 HA LEU 50 1.886 16.381 -16.642 412 HB2 LEU 50 2HB LEU 50 4.020 14.769 -17.581 413 HB3 LEU 50 3HB LEU 50 4.704 15.991 -16.510 414 HG LEU 50 HG LEU 50 2.845 15.224 -14.866 415 HD11 LEU 50 1HD1 LEU 50 2.648 12.622 -15.299 416 HD12 LEU 50 2HD1 LEU 50 2.771 13.142 -16.980 417 HD13 LEU 50 3HD1 LEU 50 1.478 13.767 -15.956 418 HD21 LEU 50 3HD2 LEU 50 4.340 13.591 -13.919 419 HD22 LEU 50 1HD2 LEU 50 5.288 14.919 -14.590 420 HD23 LEU 50 2HD2 LEU 50 5.165 13.393 -15.466 421 H GLU 51 H GLU 51 1.743 18.446 -16.072 422 HA GLU 51 HA GLU 51 3.567 20.420 -17.163 423 HB2 GLU 51 2HB GLU 51 1.255 20.747 -15.242 424 HB3 GLU 51 3HB GLU 51 2.140 22.056 -16.012 425 HG2 GLU 51 2HG GLU 51 1.206 20.253 -18.017 426 HG3 GLU 51 3HG GLU 51 -0.132 20.697 -16.958 427 H ASP 52 H ASP 52 5.144 21.480 -16.076 428 HA ASP 52 HA ASP 52 6.276 20.285 -13.785 429 HB2 ASP 52 2HB ASP 52 7.216 21.953 -15.698 430 HB3 ASP 52 3HB ASP 52 7.011 23.091 -14.369 431 H GLY 53 H GLY 53 3.861 22.706 -14.181 432 HA2 GLY 53 2HA GLY 53 4.189 23.756 -11.484 433 HA3 GLY 53 3HA GLY 53 3.004 24.280 -12.672 434 H ARG 54 H ARG 54 2.993 20.958 -12.559 435 HA ARG 54 HA ARG 54 0.630 20.983 -10.815 436 HB2 ARG 54 2HB ARG 54 1.487 19.183 -13.070 437 HB3 ARG 54 3HB ARG 54 0.228 18.705 -11.938 438 HG2 ARG 54 2HG ARG 54 0.137 21.237 -13.558 439 HG3 ARG 54 3HG ARG 54 -0.591 19.713 -14.069 440 HD2 ARG 54 2HD ARG 54 -1.509 20.065 -11.479 441 HD3 ARG 54 3HD ARG 54 -1.546 21.687 -12.170 442 HE ARG 54 HE ARG 54 -2.701 19.708 -13.890 443 HH11 ARG 54 1HH1 ARG 54 -3.297 21.817 -11.185 444 HH12 ARG 54 2HH1 ARG 54 -5.007 21.892 -11.453 445 HH21 ARG 54 1HH2 ARG 54 -4.951 19.799 -14.254 446 HH22 ARG 54 2HH2 ARG 54 -5.947 20.744 -13.199 447 H THR 55 H THR 55 0.265 19.091 -9.442 448 HA THR 55 HA THR 55 2.806 18.033 -8.390 449 HB THR 55 HB THR 55 0.287 18.091 -6.765 450 HG1 THR 55 HG1 THR 55 1.888 20.265 -7.515 451 HG21 THR 55 3HG2 THR 55 3.232 17.947 -6.257 452 HG22 THR 55 1HG2 THR 55 1.937 16.929 -5.628 453 HG23 THR 55 2HG2 THR 55 2.156 18.564 -5.005 454 H LEU 56 H LEU 56 2.716 15.877 -7.420 455 HA LEU 56 HA LEU 56 1.691 13.953 -9.151 456 HB2 LEU 56 2HB LEU 56 3.554 13.593 -7.580 457 HB3 LEU 56 3HB LEU 56 2.408 13.614 -6.242 458 HG LEU 56 HG LEU 56 1.563 11.642 -8.114 459 HD11 LEU 56 1HD1 LEU 56 3.419 10.734 -8.909 460 HD12 LEU 56 2HD1 LEU 56 3.981 10.450 -7.262 461 HD13 LEU 56 3HD1 LEU 56 4.391 11.954 -8.087 462 HD21 LEU 56 3HD2 LEU 56 1.100 11.717 -5.694 463 HD22 LEU 56 1HD2 LEU 56 2.798 11.361 -5.376 464 HD23 LEU 56 2HD2 LEU 56 1.789 10.174 -6.203 465 H SER 57 H SER 57 0.501 14.876 -5.921 466 HA SER 57 HA SER 57 -1.763 13.197 -5.969 467 HB2 SER 57 2HB SER 57 -2.183 14.029 -3.898 468 HB3 SER 57 3HB SER 57 -0.573 14.730 -4.063 469 HG SER 57 HG SER 57 -3.084 15.962 -4.474 470 H ASP 58 H ASP 58 -1.145 16.351 -7.285 471 HA ASP 58 HA ASP 58 -3.794 17.244 -7.598 472 HB2 ASP 58 2HB ASP 58 -1.581 18.540 -7.901 473 HB3 ASP 58 3HB ASP 58 -1.592 17.897 -9.541 474 H TYR 59 H TYR 59 -1.878 14.961 -9.375 475 HA TYR 59 HA TYR 59 -3.542 14.957 -11.715 476 HB2 TYR 59 2HB TYR 59 -1.074 13.691 -10.855 477 HB3 TYR 59 3HB TYR 59 -2.134 12.549 -11.673 478 HD1 TYR 59 HD2 TYR 59 -0.793 16.012 -12.090 479 HD2 TYR 59 HD1 TYR 59 -2.022 12.401 -13.977 480 HE1 TYR 59 HE2 TYR 59 -0.074 16.909 -14.264 481 HE2 TYR 59 HE1 TYR 59 -1.304 13.289 -16.156 482 HH TYR 59 HH TYR 59 0.343 15.022 -16.985 483 H ASN 60 H ASN 60 -3.736 13.577 -8.615 484 HA ASN 60 HA ASN 60 -5.260 12.202 -7.633 485 HB2 ASN 60 2HB ASN 60 -6.724 13.517 -9.458 486 HB3 ASN 60 3HB ASN 60 -6.888 11.884 -10.098 487 HD21 ASN 60 1HD2 ASN 60 -7.166 10.272 -8.081 488 HD22 ASN 60 2HD2 ASN 60 -8.491 10.704 -7.061 489 H ILE 61 H ILE 61 -2.962 11.143 -9.023 490 HA ILE 61 HA ILE 61 -3.815 8.698 -10.306 491 HB ILE 61 HB ILE 61 -1.592 8.295 -10.822 492 HG12 ILE 61 2HG1 ILE 61 -0.759 8.323 -8.501 493 HG13 ILE 61 3HG1 ILE 61 0.320 9.191 -9.589 494 HG21 ILE 61 1HG2 ILE 61 -1.186 11.216 -10.545 495 HG22 ILE 61 2HG2 ILE 61 -0.971 10.168 -11.946 496 HG23 ILE 61 3HG2 ILE 61 -2.590 10.677 -11.466 497 HD11 ILE 61 3HD1 ILE 61 -1.729 10.502 -7.821 498 HD12 ILE 61 1HD1 ILE 61 -0.023 10.311 -7.416 499 HD13 ILE 61 2HD1 ILE 61 -0.497 11.300 -8.797 500 H GLN 62 H GLN 62 -4.008 6.738 -9.401 501 HA GLN 62 HA GLN 62 -3.814 6.521 -6.530 502 HB2 GLN 62 2HB GLN 62 -4.711 4.226 -6.908 503 HB3 GLN 62 3HB GLN 62 -5.714 5.499 -7.591 504 HG2 GLN 62 2HG GLN 62 -4.924 5.030 -9.797 505 HG3 GLN 62 3HG GLN 62 -3.725 3.895 -9.177 506 HE21 GLN 62 1HE2 GLN 62 -5.435 3.095 -11.118 507 HE22 GLN 62 2HE2 GLN 62 -6.579 1.967 -10.481 508 H LYS 63 H LYS 63 -2.961 4.204 -5.795 509 HA LYS 63 HA LYS 63 -0.141 4.280 -6.225 510 HB2 LYS 63 2HB LYS 63 0.004 2.567 -4.586 511 HB3 LYS 63 3HB LYS 63 -1.304 3.627 -4.076 512 HG2 LYS 63 2HG LYS 63 -2.944 2.055 -4.924 513 HG3 LYS 63 3HG LYS 63 -1.655 1.006 -5.519 514 HD2 LYS 63 2HD LYS 63 -0.888 0.592 -3.273 515 HD3 LYS 63 3HD LYS 63 -2.035 1.766 -2.624 516 HE2 LYS 63 2HE LYS 63 -3.880 0.348 -3.529 517 HE3 LYS 63 3HE LYS 63 -2.670 -0.858 -3.966 518 HZ1 LYS 63 3HZ LYS 63 -3.649 -0.082 -1.320 519 HZ2 LYS 63 1HZ LYS 63 -2.036 -0.575 -1.451 520 HZ3 LYS 63 2HZ LYS 63 -3.280 -1.617 -1.927 521 H GLU 64 H GLU 64 1.176 2.872 -7.323 522 HA GLU 64 HA GLU 64 1.810 1.204 -8.755 523 HB2 GLU 64 2HB GLU 64 -0.347 0.071 -7.480 524 HB3 GLU 64 3HB GLU 64 -0.826 -0.007 -9.169 525 HG2 GLU 64 2HG GLU 64 1.309 -1.138 -9.682 526 HG3 GLU 64 3HG GLU 64 1.686 -1.139 -7.960 527 H SER 65 H SER 65 0.734 3.796 -9.540 528 HA SER 65 HA SER 65 -0.795 3.394 -11.944 529 HB2 SER 65 2HB SER 65 -1.013 5.450 -10.570 530 HB3 SER 65 3HB SER 65 0.648 5.877 -10.982 531 HG SER 65 HG SER 65 -1.494 5.543 -12.817 532 H THR 66 H THR 66 -0.094 3.797 -14.075 533 HA THR 66 HA THR 66 2.809 3.458 -14.457 534 HB THR 66 HB THR 66 1.665 1.493 -15.235 535 HG1 THR 66 HG1 THR 66 2.113 2.922 -17.628 536 HG21 THR 66 3HG2 THR 66 0.007 3.276 -17.017 537 HG22 THR 66 1HG2 THR 66 -0.568 2.579 -15.503 538 HG23 THR 66 2HG2 THR 66 -0.120 1.526 -16.845 539 H LEU 67 H LEU 67 3.838 5.084 -15.405 540 HA LEU 67 HA LEU 67 2.269 6.997 -17.003 541 HB2 LEU 67 2HB LEU 67 3.165 8.005 -15.003 542 HB3 LEU 67 3HB LEU 67 4.779 7.408 -15.386 543 HG LEU 67 HG LEU 67 3.651 9.114 -17.471 544 HD11 LEU 67 1HD1 LEU 67 4.336 10.424 -14.853 545 HD12 LEU 67 2HD1 LEU 67 2.679 10.100 -15.362 546 HD13 LEU 67 3HD1 LEU 67 3.701 11.175 -16.317 547 HD21 LEU 67 3HD2 LEU 67 5.829 9.933 -17.585 548 HD22 LEU 67 1HD2 LEU 67 6.044 8.249 -17.107 549 HD23 LEU 67 2HD2 LEU 67 6.172 9.530 -15.902 550 H HIS 68 H HIS 68 3.109 7.760 -18.948 551 HA HIS 68 HA HIS 68 4.927 5.928 -20.266 552 HB2 HIS 68 2HB HIS 68 3.595 8.375 -21.434 553 HB3 HIS 68 3HB HIS 68 4.284 7.012 -22.311 554 HD1 HIS 68 HD1 HIS 68 1.137 8.301 -21.461 555 HD2 HIS 68 HD2 HIS 68 2.783 4.487 -21.365 556 HE1 HIS 68 HE1 HIS 68 -0.821 6.723 -21.450 557 H LEU 69 H LEU 69 6.939 6.404 -21.055 558 HA LEU 69 HA LEU 69 8.050 9.030 -20.312 559 HB2 LEU 69 2HB LEU 69 8.776 6.631 -19.240 560 HB3 LEU 69 3HB LEU 69 9.941 6.802 -20.551 561 HG LEU 69 HG LEU 69 10.931 7.635 -18.540 562 HD11 LEU 69 1HD1 LEU 69 11.664 9.715 -19.282 563 HD12 LEU 69 2HD1 LEU 69 10.105 10.117 -20.001 564 HD13 LEU 69 3HD1 LEU 69 11.141 8.909 -20.761 565 HD21 LEU 69 3HD2 LEU 69 9.613 8.412 -16.928 566 HD22 LEU 69 1HD2 LEU 69 8.271 8.634 -18.051 567 HD23 LEU 69 2HD2 LEU 69 9.472 9.910 -17.850 568 H VAL 70 H VAL 70 8.844 10.187 -21.937 569 HA VAL 70 HA VAL 70 9.225 8.882 -24.533 570 HB VAL 70 HB VAL 70 9.215 11.850 -24.011 571 HG11 VAL 70 1HG1 VAL 70 8.516 11.913 -26.398 572 HG12 VAL 70 2HG1 VAL 70 10.129 11.244 -26.146 573 HG13 VAL 70 3HG1 VAL 70 8.769 10.170 -26.473 574 HG21 VAL 70 3HG2 VAL 70 6.778 11.445 -25.031 575 HG22 VAL 70 1HG2 VAL 70 6.965 9.933 -24.142 576 HG23 VAL 70 2HG2 VAL 70 7.094 11.475 -23.296 577 H LEU 71 H LEU 71 11.085 9.302 -25.809 578 HA LEU 71 HA LEU 71 13.446 10.088 -24.231 579 HB2 LEU 71 2HB LEU 71 13.406 8.220 -26.591 580 HB3 LEU 71 3HB LEU 71 14.758 8.549 -25.510 581 HG LEU 71 HG LEU 71 12.258 7.344 -24.405 582 HD11 LEU 71 1HD1 LEU 71 14.184 6.049 -26.252 583 HD12 LEU 71 2HD1 LEU 71 12.464 5.745 -26.008 584 HD13 LEU 71 3HD1 LEU 71 13.641 5.129 -24.849 585 HD21 LEU 71 3HD2 LEU 71 14.705 8.085 -23.355 586 HD22 LEU 71 1HD2 LEU 71 14.840 6.337 -23.546 587 HD23 LEU 71 2HD2 LEU 71 13.520 7.021 -22.597 588 H ARG 72 H ARG 72 15.177 11.138 -25.380 589 HA ARG 72 HA ARG 72 14.227 12.628 -27.739 590 HB2 ARG 72 2HB ARG 72 14.554 13.964 -25.634 591 HB3 ARG 72 3HB ARG 72 16.264 13.565 -25.717 592 HG2 ARG 72 2HG ARG 72 16.204 15.645 -26.693 593 HG3 ARG 72 3HG ARG 72 16.124 14.581 -28.099 594 HD2 ARG 72 2HD ARG 72 13.494 15.147 -27.031 595 HD3 ARG 72 3HD ARG 72 14.359 16.627 -27.446 596 HE ARG 72 HE ARG 72 14.677 14.903 -29.585 597 HH11 ARG 72 1HH1 ARG 72 12.051 16.479 -27.929 598 HH12 ARG 72 2HH1 ARG 72 11.045 16.570 -29.337 599 HH21 ARG 72 1HH2 ARG 72 13.362 15.017 -31.446 600 HH22 ARG 72 2HH2 ARG 72 11.791 15.737 -31.336 601 H LEU 73 H LEU 73 15.226 12.065 -29.547 602 HA LEU 73 HA LEU 73 17.766 10.677 -29.466 603 HB2 LEU 73 2HB LEU 73 15.539 10.797 -31.225 604 HB3 LEU 73 3HB LEU 73 16.974 11.281 -32.127 605 HG LEU 73 HG LEU 73 17.312 8.845 -30.526 606 HD11 LEU 73 1HD1 LEU 73 16.095 7.500 -32.300 607 HD12 LEU 73 2HD1 LEU 73 15.272 9.000 -32.727 608 HD13 LEU 73 3HD1 LEU 73 15.093 8.326 -31.107 609 HD21 LEU 73 3HD2 LEU 73 18.698 8.238 -32.241 610 HD22 LEU 73 1HD2 LEU 73 18.765 9.994 -32.397 611 HD23 LEU 73 2HD2 LEU 73 17.725 9.053 -33.467 612 H ARG 74 H ARG 74 19.601 11.319 -30.751 613 HA ARG 74 HA ARG 74 19.794 14.243 -31.066 614 HB2 ARG 74 2HB ARG 74 21.280 12.631 -29.384 615 HB3 ARG 74 3HB ARG 74 22.331 12.821 -30.781 616 HG2 ARG 74 2HG ARG 74 22.999 14.663 -29.684 617 HG3 ARG 74 3HG ARG 74 21.565 15.374 -30.427 618 HD2 ARG 74 2HD ARG 74 21.532 15.945 -28.114 619 HD3 ARG 74 3HD ARG 74 20.286 14.726 -28.378 620 HE ARG 74 HE ARG 74 21.418 13.333 -26.968 621 HH11 ARG 74 1HH1 ARG 74 23.579 15.844 -28.039 622 HH12 ARG 74 2HH1 ARG 74 24.866 15.368 -26.982 623 HH21 ARG 74 1HH2 ARG 74 23.106 12.696 -25.571 624 HH22 ARG 74 2HH2 ARG 74 24.596 13.577 -25.580 625 H GLY 75 H GLY 75 19.664 14.698 -33.172 626 HA2 GLY 75 2HA GLY 75 21.135 14.775 -35.174 627 HA3 GLY 75 3HA GLY 75 21.241 13.026 -35.032 628 H GLY 76 H GLY 76 19.659 15.571 -36.530 629 HA2 GLY 76 2HA GLY 76 18.019 13.858 -38.077 630 HA3 GLY 76 3HA GLY 76 17.045 14.665 -36.856 Start of MODEL 20 1 H1 GLY 0 H GLY 0 6.791 3.165 0.428 2 HA2 GLY 0 2HA GLY 0 4.888 2.493 1.903 3 HA3 GLY 0 3HA GLY 0 4.314 4.143 1.710 4 H MET 1 H MET 1 4.273 4.742 -0.801 5 HA MET 1 HA MET 1 2.681 2.616 -2.067 6 HB2 MET 1 2HB MET 1 2.577 5.612 -2.455 7 HB3 MET 1 3HB MET 1 1.609 4.451 -3.353 8 HG2 MET 1 2HG MET 1 1.164 3.840 -0.674 9 HG3 MET 1 3HG MET 1 1.160 5.601 -0.755 10 HE1 MET 1 3HE MET 1 -1.855 4.139 -0.011 11 HE2 MET 1 1HE MET 1 -1.012 5.683 0.123 12 HE3 MET 1 2HE MET 1 -2.499 5.569 -0.819 13 H GLN 2 H GLN 2 3.864 1.538 -3.510 14 HA GLN 2 HA GLN 2 6.024 2.820 -4.942 15 HB2 GLN 2 2HB GLN 2 4.942 0.007 -5.179 16 HB3 GLN 2 3HB GLN 2 6.443 0.598 -5.879 17 HG2 GLN 2 2HG GLN 2 7.498 0.743 -3.819 18 HG3 GLN 2 3HG GLN 2 5.975 0.748 -2.931 19 HE21 GLN 2 1HE2 GLN 2 8.221 -0.931 -2.437 20 HE22 GLN 2 2HE2 GLN 2 7.710 -2.563 -2.680 21 H ILE 3 H ILE 3 6.123 3.221 -7.129 22 HA ILE 3 HA ILE 3 3.582 2.969 -8.602 23 HB ILE 3 HB ILE 3 4.196 5.018 -9.836 24 HG12 ILE 3 2HG1 ILE 3 6.231 5.691 -7.760 25 HG13 ILE 3 3HG1 ILE 3 6.714 4.631 -9.079 26 HG21 ILE 3 1HG2 ILE 3 2.746 5.021 -7.787 27 HG22 ILE 3 2HG2 ILE 3 4.164 5.526 -6.869 28 HG23 ILE 3 3HG2 ILE 3 3.529 6.559 -8.150 29 HD11 ILE 3 3HD1 ILE 3 7.115 7.142 -9.326 30 HD12 ILE 3 1HD1 ILE 3 6.385 6.281 -10.681 31 HD13 ILE 3 2HD1 ILE 3 5.378 7.254 -9.609 32 H PHE 4 H PHE 4 3.863 2.995 -10.998 33 HA PHE 4 HA PHE 4 6.406 1.774 -11.828 34 HB2 PHE 4 2HB PHE 4 3.918 0.455 -11.651 35 HB3 PHE 4 3HB PHE 4 4.216 0.719 -13.366 36 HD1 PHE 4 HD1 PHE 4 6.630 0.090 -14.181 37 HD2 PHE 4 HD2 PHE 4 4.798 -1.414 -10.646 38 HE1 PHE 4 HE1 PHE 4 8.158 -1.838 -14.214 39 HE2 PHE 4 HE2 PHE 4 6.324 -3.344 -10.672 40 HZ PHE 4 HZ PHE 4 8.008 -3.557 -12.457 41 H VAL 5 H VAL 5 7.257 2.580 -13.648 42 HA VAL 5 HA VAL 5 5.605 4.453 -15.211 43 HB VAL 5 HB VAL 5 8.611 4.430 -15.215 44 HG11 VAL 5 1HG1 VAL 5 8.367 6.103 -16.652 45 HG12 VAL 5 2HG1 VAL 5 6.617 5.885 -16.592 46 HG13 VAL 5 3HG1 VAL 5 7.406 7.000 -15.476 47 HG21 VAL 5 3HG2 VAL 5 8.406 6.334 -13.554 48 HG22 VAL 5 1HG2 VAL 5 6.762 5.769 -13.257 49 HG23 VAL 5 2HG2 VAL 5 8.133 4.712 -12.918 50 H LYS 6 H LYS 6 5.223 4.028 -17.289 51 HA LYS 6 HA LYS 6 6.636 1.763 -18.516 52 HB2 LYS 6 2HB LYS 6 4.176 1.578 -18.327 53 HB3 LYS 6 3HB LYS 6 4.006 3.032 -19.302 54 HG2 LYS 6 2HG LYS 6 5.668 1.160 -20.680 55 HG3 LYS 6 3HG LYS 6 4.173 0.368 -20.175 56 HD2 LYS 6 2HD LYS 6 3.058 2.542 -21.115 57 HD3 LYS 6 3HD LYS 6 4.570 2.689 -22.014 58 HE2 LYS 6 2HE LYS 6 4.055 0.138 -22.542 59 HE3 LYS 6 3HE LYS 6 2.402 0.671 -22.243 60 HZ1 LYS 6 3HZ LYS 6 4.276 1.874 -24.209 61 HZ2 LYS 6 1HZ LYS 6 2.688 2.384 -23.922 62 HZ3 LYS 6 2HZ LYS 6 2.979 0.853 -24.579 63 H THR 7 H THR 7 7.573 1.928 -20.532 64 HA THR 7 HA THR 7 7.992 4.677 -21.490 65 HB THR 7 HB THR 7 9.750 2.610 -22.600 66 HG1 THR 7 HG1 THR 7 9.964 3.250 -19.830 67 HG21 THR 7 3HG2 THR 7 10.592 4.675 -23.037 68 HG22 THR 7 1HG2 THR 7 11.369 4.427 -21.474 69 HG23 THR 7 2HG2 THR 7 9.893 5.387 -21.583 70 H LEU 8 H LEU 8 8.594 4.681 -23.937 71 HA LEU 8 HA LEU 8 6.307 3.575 -25.327 72 HB2 LEU 8 2HB LEU 8 7.172 5.925 -25.627 73 HB3 LEU 8 3HB LEU 8 8.546 5.224 -26.479 74 HG LEU 8 HG LEU 8 5.896 4.441 -27.501 75 HD11 LEU 8 1HD1 LEU 8 6.504 6.958 -28.675 76 HD12 LEU 8 2HD1 LEU 8 6.377 7.170 -26.929 77 HD13 LEU 8 3HD1 LEU 8 5.040 6.456 -27.830 78 HD21 LEU 8 3HD2 LEU 8 8.451 4.209 -28.363 79 HD22 LEU 8 1HD2 LEU 8 7.941 5.661 -29.225 80 HD23 LEU 8 2HD2 LEU 8 7.038 4.158 -29.417 81 H THR 9 H THR 9 9.317 2.455 -24.580 82 HA THR 9 HA THR 9 9.654 0.976 -27.092 83 HB THR 9 HB THR 9 11.620 2.195 -26.086 84 HG1 THR 9 HG1 THR 9 12.198 -0.562 -26.136 85 HG21 THR 9 3HG2 THR 9 11.595 -0.062 -24.085 86 HG22 THR 9 1HG2 THR 9 11.055 1.576 -23.721 87 HG23 THR 9 2HG2 THR 9 12.734 1.282 -24.174 88 H GLY 10 H GLY 10 7.907 0.571 -24.440 89 HA2 GLY 10 2HA GLY 10 6.810 -1.360 -23.739 90 HA3 GLY 10 3HA GLY 10 7.952 -2.317 -24.672 91 H LYS 11 H LYS 11 9.472 -0.034 -22.694 92 HA LYS 11 HA LYS 11 10.388 -2.152 -20.917 93 HB2 LYS 11 2HB LYS 11 11.378 0.529 -21.722 94 HB3 LYS 11 3HB LYS 11 11.796 -0.017 -20.103 95 HG2 LYS 11 2HG LYS 11 12.418 -2.217 -21.539 96 HG3 LYS 11 3HG LYS 11 12.751 -0.948 -22.720 97 HD2 LYS 11 2HD LYS 11 14.580 -0.269 -21.623 98 HD3 LYS 11 3HD LYS 11 13.764 -0.323 -20.059 99 HE2 LYS 11 2HE LYS 11 14.285 -2.964 -21.180 100 HE3 LYS 11 3HE LYS 11 15.753 -2.026 -20.908 101 HZ1 LYS 11 3HZ LYS 11 13.653 -2.521 -18.867 102 HZ2 LYS 11 1HZ LYS 11 15.116 -1.708 -18.622 103 HZ3 LYS 11 2HZ LYS 11 15.117 -3.362 -18.974 104 H THR 12 H THR 12 9.874 -2.325 -18.815 105 HA THR 12 HA THR 12 8.129 -0.244 -17.673 106 HB THR 12 HB THR 12 7.238 -2.009 -16.183 107 HG1 THR 12 HG1 THR 12 9.291 -3.418 -17.310 108 HG21 THR 12 3HG2 THR 12 6.088 -3.346 -18.028 109 HG22 THR 12 1HG2 THR 12 7.055 -2.401 -19.160 110 HG23 THR 12 2HG2 THR 12 5.912 -1.593 -18.087 111 H ILE 13 H ILE 13 8.959 0.915 -16.074 112 HA ILE 13 HA ILE 13 11.123 -0.267 -14.457 113 HB ILE 13 HB ILE 13 10.747 2.670 -15.041 114 HG12 ILE 13 2HG1 ILE 13 11.348 1.452 -17.087 115 HG13 ILE 13 3HG1 ILE 13 12.681 2.460 -16.536 116 HG21 ILE 13 1HG2 ILE 13 11.902 2.509 -13.026 117 HG22 ILE 13 2HG2 ILE 13 12.793 1.078 -13.542 118 HG23 ILE 13 3HG2 ILE 13 13.187 2.655 -14.225 119 HD11 ILE 13 3HD1 ILE 13 13.974 0.675 -16.698 120 HD12 ILE 13 1HD1 ILE 13 13.100 -0.009 -15.327 121 HD13 ILE 13 2HD1 ILE 13 12.586 -0.377 -16.974 122 H THR 14 H THR 14 11.143 0.141 -12.241 123 HA THR 14 HA THR 14 8.601 1.166 -11.156 124 HB THR 14 HB THR 14 9.010 -1.268 -10.773 125 HG1 THR 14 HG1 THR 14 8.585 0.642 -8.803 126 HG21 THR 14 3HG2 THR 14 10.834 -2.089 -9.697 127 HG22 THR 14 1HG2 THR 14 11.016 -0.658 -8.683 128 HG23 THR 14 2HG2 THR 14 11.583 -0.634 -10.353 129 H LEU 15 H LEU 15 8.644 2.738 -9.643 130 HA LEU 15 HA LEU 15 11.194 3.440 -8.389 131 HB2 LEU 15 2HB LEU 15 9.552 5.152 -10.187 132 HB3 LEU 15 3HB LEU 15 10.368 5.906 -8.819 133 HG LEU 15 HG LEU 15 11.976 4.197 -10.651 134 HD11 LEU 15 1HD1 LEU 15 12.376 6.338 -11.995 135 HD12 LEU 15 2HD1 LEU 15 10.837 6.887 -11.332 136 HD13 LEU 15 3HD1 LEU 15 10.901 5.427 -12.319 137 HD21 LEU 15 3HD2 LEU 15 12.432 6.664 -8.991 138 HD22 LEU 15 1HD2 LEU 15 13.615 6.057 -10.150 139 HD23 LEU 15 2HD2 LEU 15 13.131 5.057 -8.779 140 H GLU 16 H GLU 16 10.852 5.142 -6.654 141 HA GLU 16 HA GLU 16 8.225 4.777 -5.372 142 HB2 GLU 16 2HB GLU 16 10.975 4.436 -4.258 143 HB3 GLU 16 3HB GLU 16 9.710 5.047 -3.202 144 HG2 GLU 16 2HG GLU 16 8.350 3.052 -3.766 145 HG3 GLU 16 3HG GLU 16 9.721 2.428 -4.681 146 H VAL 17 H VAL 17 7.265 6.562 -4.573 147 HA VAL 17 HA VAL 17 8.804 8.986 -4.112 148 HB VAL 17 HB VAL 17 6.972 10.250 -5.478 149 HG11 VAL 17 1HG1 VAL 17 8.411 10.137 -7.493 150 HG12 VAL 17 2HG1 VAL 17 9.321 10.373 -6.000 151 HG13 VAL 17 3HG1 VAL 17 9.272 8.783 -6.762 152 HG21 VAL 17 3HG2 VAL 17 5.890 7.897 -5.915 153 HG22 VAL 17 1HG2 VAL 17 5.876 9.142 -7.164 154 HG23 VAL 17 2HG2 VAL 17 7.063 7.840 -7.231 155 H GLU 18 H GLU 18 7.091 10.820 -3.536 156 HA GLU 18 HA GLU 18 5.059 9.607 -1.783 157 HB2 GLU 18 2HB GLU 18 7.274 11.404 -1.133 158 HB3 GLU 18 3HB GLU 18 5.720 11.986 -0.552 159 HG2 GLU 18 2HG GLU 18 5.520 10.347 0.980 160 HG3 GLU 18 3HG GLU 18 6.311 9.146 -0.040 161 HA PRO 19 HA PRO 19 2.073 12.375 -3.413 162 HB2 PRO 19 2HB PRO 19 0.678 13.145 -1.215 163 HB3 PRO 19 3HB PRO 19 0.570 11.519 -1.901 164 HG2 PRO 19 2HG PRO 19 2.171 12.487 0.436 165 HG3 PRO 19 3HG PRO 19 1.217 11.002 0.272 166 HD2 PRO 19 2HD PRO 19 3.911 11.041 -0.001 167 HD3 PRO 19 3HD PRO 19 2.876 9.917 -0.906 168 H SER 20 H SER 20 3.996 13.586 -0.733 169 HA SER 20 HA SER 20 3.296 16.343 -1.233 170 HB2 SER 20 2HB SER 20 4.633 16.877 0.639 171 HB3 SER 20 3HB SER 20 3.912 15.319 1.043 172 HG SER 20 HG SER 20 6.486 15.948 0.903 173 H ASP 21 H ASP 21 5.187 14.209 -2.833 174 HA ASP 21 HA ASP 21 7.429 15.960 -3.385 175 HB2 ASP 21 2HB ASP 21 6.815 13.159 -3.753 176 HB3 ASP 21 3HB ASP 21 7.427 13.861 -5.248 177 H THR 22 H THR 22 7.640 17.291 -5.080 178 HA THR 22 HA THR 22 5.414 17.408 -6.995 179 HB THR 22 HB THR 22 5.706 19.677 -7.193 180 HG1 THR 22 HG1 THR 22 7.916 20.539 -6.384 181 HG21 THR 22 3HG2 THR 22 6.909 19.197 -4.465 182 HG22 THR 22 1HG2 THR 22 5.186 19.135 -4.832 183 HG23 THR 22 2HG2 THR 22 6.071 20.651 -5.004 184 H ILE 23 H ILE 23 5.865 17.817 -9.232 185 HA ILE 23 HA ILE 23 7.949 16.201 -10.266 186 HB ILE 23 HB ILE 23 6.147 18.188 -11.651 187 HG12 ILE 23 2HG1 ILE 23 5.148 16.125 -10.540 188 HG13 ILE 23 3HG1 ILE 23 4.802 16.329 -12.254 189 HG21 ILE 23 1HG2 ILE 23 6.869 16.622 -13.651 190 HG22 ILE 23 2HG2 ILE 23 7.812 18.043 -13.203 191 HG23 ILE 23 3HG2 ILE 23 8.323 16.441 -12.670 192 HD11 ILE 23 3HD1 ILE 23 5.432 14.003 -11.420 193 HD12 ILE 23 1HD1 ILE 23 6.240 14.606 -12.867 194 HD13 ILE 23 2HD1 ILE 23 7.077 14.628 -11.314 195 H GLU 24 H GLU 24 7.630 19.634 -9.681 196 HA GLU 24 HA GLU 24 9.945 20.368 -11.211 197 HB2 GLU 24 2HB GLU 24 7.978 21.878 -10.686 198 HB3 GLU 24 3HB GLU 24 8.607 21.992 -9.049 199 HG2 GLU 24 2HG GLU 24 10.753 22.836 -10.046 200 HG3 GLU 24 3HG GLU 24 9.904 22.936 -11.588 201 H ASN 25 H ASN 25 9.258 19.587 -7.861 202 HA ASN 25 HA ASN 25 11.828 20.410 -6.888 203 HB2 ASN 25 2HB ASN 25 9.800 20.364 -5.455 204 HB3 ASN 25 3HB ASN 25 9.780 18.608 -5.579 205 HD21 ASN 25 1HD2 ASN 25 10.597 21.054 -3.623 206 HD22 ASN 25 2HD2 ASN 25 11.866 20.315 -2.713 207 H VAL 26 H VAL 26 10.354 17.387 -7.922 208 HA VAL 26 HA VAL 26 12.432 15.670 -7.061 209 HB VAL 26 HB VAL 26 10.292 15.365 -9.157 210 HG11 VAL 26 1HG1 VAL 26 12.558 13.537 -8.474 211 HG12 VAL 26 2HG1 VAL 26 11.006 12.877 -8.992 212 HG13 VAL 26 3HG1 VAL 26 11.902 13.964 -10.054 213 HG21 VAL 26 3HG2 VAL 26 9.244 13.922 -7.585 214 HG22 VAL 26 1HG2 VAL 26 10.676 13.898 -6.556 215 HG23 VAL 26 2HG2 VAL 26 9.722 15.374 -6.705 216 H LYS 27 H LYS 27 12.046 17.726 -9.826 217 HA LYS 27 HA LYS 27 13.810 16.523 -11.628 218 HB2 LYS 27 2HB LYS 27 12.623 18.234 -12.604 219 HB3 LYS 27 3HB LYS 27 12.784 19.289 -11.206 220 HG2 LYS 27 2HG LYS 27 15.248 18.645 -12.720 221 HG3 LYS 27 3HG LYS 27 14.076 19.727 -13.477 222 HD2 LYS 27 2HD LYS 27 14.157 20.822 -11.037 223 HD3 LYS 27 3HD LYS 27 15.781 20.134 -11.089 224 HE2 LYS 27 2HE LYS 27 15.040 21.512 -13.548 225 HE3 LYS 27 3HE LYS 27 15.014 22.564 -12.134 226 HZ1 LYS 27 3HZ LYS 27 17.249 21.446 -13.524 227 HZ2 LYS 27 1HZ LYS 27 17.321 21.137 -11.862 228 HZ3 LYS 27 2HZ LYS 27 17.199 22.728 -12.421 229 H ALA 28 H ALA 28 14.410 18.739 -8.947 230 HA ALA 28 HA ALA 28 17.098 19.307 -9.440 231 HB1 ALA 28 1HB ALA 28 15.298 20.025 -7.530 232 HB2 ALA 28 2HB ALA 28 16.403 19.003 -6.610 233 HB3 ALA 28 3HB ALA 28 17.021 20.404 -7.486 234 H LYS 29 H LYS 29 15.593 16.576 -7.788 235 HA LYS 29 HA LYS 29 18.004 15.429 -6.828 236 HB2 LYS 29 2HB LYS 29 15.581 14.963 -6.084 237 HB3 LYS 29 3HB LYS 29 15.510 13.867 -7.458 238 HG2 LYS 29 2HG LYS 29 17.684 12.873 -6.414 239 HG3 LYS 29 3HG LYS 29 17.097 13.656 -4.945 240 HD2 LYS 29 2HD LYS 29 15.386 12.202 -4.700 241 HD3 LYS 29 3HD LYS 29 15.094 12.093 -6.438 242 HE2 LYS 29 2HE LYS 29 15.847 9.954 -5.628 243 HE3 LYS 29 3HE LYS 29 17.104 10.663 -6.641 244 HZ1 LYS 29 3HZ LYS 29 18.110 9.744 -4.698 245 HZ2 LYS 29 1HZ LYS 29 17.049 10.575 -3.675 246 HZ3 LYS 29 2HZ LYS 29 18.198 11.429 -4.576 247 H ILE 30 H ILE 30 16.200 15.143 -9.822 248 HA ILE 30 HA ILE 30 17.533 12.872 -10.847 249 HB ILE 30 HB ILE 30 16.210 15.126 -12.363 250 HG12 ILE 30 2HG1 ILE 30 14.715 13.984 -10.758 251 HG13 ILE 30 3HG1 ILE 30 14.249 13.679 -12.428 252 HG21 ILE 30 1HG2 ILE 30 17.694 13.854 -13.793 253 HG22 ILE 30 2HG2 ILE 30 16.974 12.344 -13.237 254 HG23 ILE 30 3HG2 ILE 30 16.016 13.481 -14.185 255 HD11 ILE 30 3HD1 ILE 30 15.804 11.795 -10.671 256 HD12 ILE 30 1HD1 ILE 30 14.086 11.674 -11.054 257 HD13 ILE 30 2HD1 ILE 30 15.290 11.488 -12.330 258 H GLN 31 H GLN 31 18.187 16.334 -11.056 259 HA GLN 31 HA GLN 31 20.309 16.131 -12.927 260 HB2 GLN 31 2HB GLN 31 19.038 18.221 -12.440 261 HB3 GLN 31 3HB GLN 31 19.840 18.300 -10.877 262 HG2 GLN 31 2HG GLN 31 22.024 18.331 -12.142 263 HG3 GLN 31 3HG GLN 31 21.067 18.577 -13.602 264 HE21 GLN 31 1HE2 GLN 31 22.727 20.491 -13.279 265 HE22 GLN 31 2HE2 GLN 31 22.027 21.911 -12.589 266 H ASP 32 H ASP 32 20.099 15.771 -9.476 267 HA ASP 32 HA ASP 32 22.943 15.962 -9.040 268 HB2 ASP 32 2HB ASP 32 20.797 16.285 -7.407 269 HB3 ASP 32 3HB ASP 32 21.277 14.642 -6.989 270 H LYS 33 H LYS 33 20.906 13.613 -10.272 271 HA LYS 33 HA LYS 33 22.672 11.422 -9.415 272 HB2 LYS 33 2HB LYS 33 20.367 10.977 -8.893 273 HB3 LYS 33 3HB LYS 33 19.862 11.399 -10.524 274 HG2 LYS 33 2HG LYS 33 21.165 9.458 -11.366 275 HG3 LYS 33 3HG LYS 33 21.485 9.005 -9.690 276 HD2 LYS 33 2HD LYS 33 19.479 8.054 -9.490 277 HD3 LYS 33 3HD LYS 33 18.670 9.491 -10.119 278 HE2 LYS 33 2HE LYS 33 18.104 7.850 -11.662 279 HE3 LYS 33 3HE LYS 33 19.473 8.658 -12.424 280 HZ1 LYS 33 3HZ LYS 33 19.374 6.074 -12.287 281 HZ2 LYS 33 1HZ LYS 33 19.975 6.319 -10.725 282 HZ3 LYS 33 2HZ LYS 33 20.843 6.881 -12.062 283 H GLU 34 H GLU 34 21.116 12.857 -12.258 284 HA GLU 34 HA GLU 34 23.131 11.505 -13.932 285 HB2 GLU 34 2HB GLU 34 20.896 10.620 -14.373 286 HB3 GLU 34 3HB GLU 34 20.292 12.246 -14.659 287 HG2 GLU 34 2HG GLU 34 21.311 12.419 -16.703 288 HG3 GLU 34 3HG GLU 34 22.563 11.245 -16.300 289 H GLY 35 H GLY 35 21.342 14.445 -13.269 290 HA2 GLY 35 2HA GLY 35 22.073 16.630 -13.606 291 HA3 GLY 35 3HA GLY 35 23.433 16.006 -14.527 292 H ILE 36 H ILE 36 20.297 14.871 -15.373 293 HA ILE 36 HA ILE 36 20.455 16.398 -17.870 294 HB ILE 36 HB ILE 36 20.294 14.063 -18.283 295 HG12 ILE 36 2HG1 ILE 36 18.178 13.891 -19.516 296 HG13 ILE 36 3HG1 ILE 36 17.538 15.267 -18.624 297 HG21 ILE 36 1HG2 ILE 36 18.481 12.670 -17.379 298 HG22 ILE 36 2HG2 ILE 36 19.505 13.339 -16.110 299 HG23 ILE 36 3HG2 ILE 36 17.920 14.043 -16.425 300 HD11 ILE 36 3HD1 ILE 36 20.059 15.862 -19.931 301 HD12 ILE 36 1HD1 ILE 36 18.804 15.350 -21.059 302 HD13 ILE 36 2HD1 ILE 36 18.519 16.721 -19.985 303 HA PRO 37 HA PRO 37 17.176 18.881 -16.023 304 HB2 PRO 37 2HB PRO 37 17.309 20.842 -17.895 305 HB3 PRO 37 3HB PRO 37 18.439 20.730 -16.540 306 HG2 PRO 37 2HG PRO 37 18.794 19.854 -19.381 307 HG3 PRO 37 3HG PRO 37 19.935 20.700 -18.320 308 HD2 PRO 37 2HD PRO 37 20.081 18.037 -18.788 309 HD3 PRO 37 3HD PRO 37 20.563 18.762 -17.241 310 HA PRO 38 HA PRO 38 13.907 17.313 -18.589 311 HB2 PRO 38 2HB PRO 38 11.862 18.549 -17.301 312 HB3 PRO 38 3HB PRO 38 12.690 17.130 -16.649 313 HG2 PRO 38 2HG PRO 38 13.076 20.022 -15.979 314 HG3 PRO 38 3HG PRO 38 13.000 18.622 -14.893 315 HD2 PRO 38 2HD PRO 38 15.340 19.766 -15.635 316 HD3 PRO 38 3HD PRO 38 15.190 18.028 -15.301 317 H ASP 39 H ASP 39 15.329 19.364 -19.797 318 HA ASP 39 HA ASP 39 13.545 21.549 -20.414 319 HB2 ASP 39 2HB ASP 39 16.321 21.096 -20.604 320 HB3 ASP 39 3HB ASP 39 15.750 21.321 -22.255 321 H GLN 40 H GLN 40 14.402 18.469 -21.773 322 HA GLN 40 HA GLN 40 12.639 19.027 -24.067 323 HB2 GLN 40 2HB GLN 40 15.323 17.955 -23.972 324 HB3 GLN 40 3HB GLN 40 14.221 16.808 -24.723 325 HG2 GLN 40 2HG GLN 40 15.069 18.094 -26.481 326 HG3 GLN 40 3HG GLN 40 13.449 18.723 -26.187 327 HE21 GLN 40 1HE2 GLN 40 16.034 19.860 -27.299 328 HE22 GLN 40 2HE2 GLN 40 16.232 21.350 -26.448 329 H GLN 41 H GLN 41 12.608 17.593 -21.207 330 HA GLN 41 HA GLN 41 11.370 15.085 -22.064 331 HB2 GLN 41 2HB GLN 41 13.101 15.442 -20.089 332 HB3 GLN 41 3HB GLN 41 11.641 15.830 -19.189 333 HG2 GLN 41 2HG GLN 41 10.705 13.668 -19.681 334 HG3 GLN 41 3HG GLN 41 12.075 13.277 -20.720 335 HE21 GLN 41 1HE2 GLN 41 13.753 12.272 -19.844 336 HE22 GLN 41 2HE2 GLN 41 14.031 12.068 -18.152 337 H ARG 42 H ARG 42 9.235 14.770 -22.057 338 HA ARG 42 HA ARG 42 7.540 16.672 -20.585 339 HB2 ARG 42 2HB ARG 42 7.628 16.146 -23.455 340 HB3 ARG 42 3HB ARG 42 6.020 15.932 -22.776 341 HG2 ARG 42 2HG ARG 42 6.357 18.224 -21.705 342 HG3 ARG 42 3HG ARG 42 7.721 18.398 -22.811 343 HD2 ARG 42 2HD ARG 42 5.443 17.439 -24.251 344 HD3 ARG 42 3HD ARG 42 4.988 18.869 -23.324 345 HE ARG 42 HE ARG 42 7.440 19.255 -24.718 346 HH11 ARG 42 1HH1 ARG 42 3.983 19.193 -25.120 347 HH12 ARG 42 2HH1 ARG 42 3.991 20.262 -26.484 348 HH21 ARG 42 1HH2 ARG 42 7.464 20.664 -26.512 349 HH22 ARG 42 2HH2 ARG 42 5.972 21.097 -27.275 350 H LEU 43 H LEU 43 5.987 15.767 -19.377 351 HA LEU 43 HA LEU 43 5.672 12.859 -19.525 352 HB2 LEU 43 2HB LEU 43 4.837 14.806 -17.380 353 HB3 LEU 43 3HB LEU 43 4.672 13.053 -17.296 354 HG LEU 43 HG LEU 43 6.548 13.439 -16.009 355 HD11 LEU 43 1HD1 LEU 43 8.375 12.499 -17.160 356 HD12 LEU 43 2HD1 LEU 43 7.843 13.158 -18.706 357 HD13 LEU 43 3HD1 LEU 43 6.935 11.852 -17.945 358 HD21 LEU 43 3HD2 LEU 43 8.335 15.034 -17.430 359 HD22 LEU 43 1HD2 LEU 43 7.397 15.492 -16.008 360 HD23 LEU 43 2HD2 LEU 43 6.767 15.821 -17.623 361 H ILE 44 H ILE 44 3.781 11.888 -20.014 362 HA ILE 44 HA ILE 44 1.357 13.522 -20.215 363 HB ILE 44 HB ILE 44 0.898 12.127 -22.385 364 HG12 ILE 44 2HG1 ILE 44 3.211 10.973 -21.972 365 HG13 ILE 44 3HG1 ILE 44 2.726 11.391 -23.611 366 HG21 ILE 44 1HG2 ILE 44 0.842 14.434 -22.589 367 HG22 ILE 44 2HG2 ILE 44 2.522 14.620 -22.087 368 HG23 ILE 44 3HG2 ILE 44 2.146 13.984 -23.688 369 HD11 ILE 44 3HD1 ILE 44 4.923 12.095 -23.504 370 HD12 ILE 44 1HD1 ILE 44 4.018 13.577 -23.195 371 HD13 ILE 44 2HD1 ILE 44 4.756 12.698 -21.856 372 H PHE 45 H PHE 45 -0.495 12.477 -19.676 373 HA PHE 45 HA PHE 45 -0.779 9.645 -19.716 374 HB2 PHE 45 2HB PHE 45 0.594 9.636 -17.763 375 HB3 PHE 45 3HB PHE 45 -0.276 10.999 -17.066 376 HD1 PHE 45 HD1 PHE 45 -0.896 7.521 -18.257 377 HD2 PHE 45 HD2 PHE 45 -1.858 10.577 -15.455 378 HE1 PHE 45 HE1 PHE 45 -2.376 5.958 -17.065 379 HE2 PHE 45 HE2 PHE 45 -3.339 9.019 -14.258 380 HZ PHE 45 HZ PHE 45 -3.599 6.705 -15.062 381 H ALA 46 H ALA 46 -2.899 8.995 -19.398 382 HA ALA 46 HA ALA 46 -5.166 9.173 -19.262 383 HB1 ALA 46 1HB ALA 46 -4.225 10.673 -17.136 384 HB2 ALA 46 2HB ALA 46 -5.366 11.748 -17.945 385 HB3 ALA 46 3HB ALA 46 -5.890 10.155 -17.399 386 H GLY 47 H GLY 47 -3.422 10.676 -21.295 387 HA2 GLY 47 2HA GLY 47 -3.987 11.717 -23.286 388 HA3 GLY 47 3HA GLY 47 -5.635 11.875 -22.697 389 H LYS 48 H LYS 48 -3.814 13.062 -20.277 390 HA LYS 48 HA LYS 48 -3.996 15.807 -21.329 391 HB2 LYS 48 2HB LYS 48 -5.061 14.651 -18.981 392 HB3 LYS 48 3HB LYS 48 -3.764 15.721 -18.465 393 HG2 LYS 48 2HG LYS 48 -5.327 17.311 -18.536 394 HG3 LYS 48 3HG LYS 48 -5.061 17.277 -20.281 395 HD2 LYS 48 2HD LYS 48 -7.244 16.833 -20.456 396 HD3 LYS 48 3HD LYS 48 -6.846 15.215 -19.872 397 HE2 LYS 48 2HE LYS 48 -7.613 15.643 -17.759 398 HE3 LYS 48 3HE LYS 48 -7.266 17.368 -17.865 399 HZ1 LYS 48 3HZ LYS 48 -9.611 17.084 -17.883 400 HZ2 LYS 48 1HZ LYS 48 -9.537 15.918 -19.106 401 HZ3 LYS 48 2HZ LYS 48 -9.155 17.529 -19.450 402 H GLN 49 H GLN 49 -2.228 17.071 -21.347 403 HA GLN 49 HA GLN 49 0.328 15.903 -20.902 404 HB2 GLN 49 2HB GLN 49 1.196 18.156 -21.470 405 HB3 GLN 49 3HB GLN 49 0.046 17.544 -22.652 406 HG2 GLN 49 2HG GLN 49 -1.175 19.367 -22.422 407 HG3 GLN 49 3HG GLN 49 -1.401 19.014 -20.710 408 HE21 GLN 49 1HE2 GLN 49 -1.163 21.588 -21.973 409 HE22 GLN 49 2HE2 GLN 49 0.217 22.361 -21.278 410 H LEU 50 H LEU 50 1.349 15.693 -19.034 411 HA LEU 50 HA LEU 50 0.419 16.925 -16.640 412 HB2 LEU 50 2HB LEU 50 1.424 14.716 -16.625 413 HB3 LEU 50 3HB LEU 50 2.945 15.383 -17.216 414 HG LEU 50 HG LEU 50 2.705 14.777 -14.711 415 HD11 LEU 50 1HD1 LEU 50 4.394 16.276 -14.193 416 HD12 LEU 50 2HD1 LEU 50 3.718 17.547 -15.211 417 HD13 LEU 50 3HD1 LEU 50 4.505 16.152 -15.949 418 HD21 LEU 50 3HD2 LEU 50 1.733 17.554 -14.354 419 HD22 LEU 50 1HD2 LEU 50 1.542 16.140 -13.316 420 HD23 LEU 50 2HD2 LEU 50 0.536 16.320 -14.754 421 H GLU 51 H GLU 51 0.925 18.843 -15.822 422 HA GLU 51 HA GLU 51 2.948 20.464 -17.116 423 HB2 GLU 51 2HB GLU 51 0.561 21.151 -16.198 424 HB3 GLU 51 3HB GLU 51 1.456 21.394 -14.705 425 HG2 GLU 51 2HG GLU 51 2.548 23.208 -15.486 426 HG3 GLU 51 3HG GLU 51 2.614 22.595 -17.138 427 H ASP 52 H ASP 52 4.863 21.104 -16.265 428 HA ASP 52 HA ASP 52 6.113 19.538 -14.313 429 HB2 ASP 52 2HB ASP 52 6.988 22.334 -15.022 430 HB3 ASP 52 3HB ASP 52 7.989 20.963 -14.551 431 H GLY 53 H GLY 53 4.083 22.305 -14.023 432 HA2 GLY 53 2HA GLY 53 4.990 22.952 -11.337 433 HA3 GLY 53 3HA GLY 53 3.708 23.758 -12.229 434 H ARG 54 H ARG 54 3.397 20.400 -12.322 435 HA ARG 54 HA ARG 54 1.213 20.540 -10.376 436 HB2 ARG 54 2HB ARG 54 1.259 19.521 -12.903 437 HB3 ARG 54 3HB ARG 54 1.556 18.074 -11.950 438 HG2 ARG 54 2HG ARG 54 -0.800 18.299 -12.359 439 HG3 ARG 54 3HG ARG 54 -0.478 18.553 -10.643 440 HD2 ARG 54 2HD ARG 54 -1.717 20.403 -10.880 441 HD3 ARG 54 3HD ARG 54 -0.281 21.087 -11.639 442 HE ARG 54 HE ARG 54 -1.716 19.767 -13.620 443 HH11 ARG 54 1HH1 ARG 54 -2.124 22.482 -11.480 444 HH12 ARG 54 2HH1 ARG 54 -3.167 23.345 -12.562 445 HH21 ARG 54 1HH2 ARG 54 -3.087 20.893 -15.054 446 HH22 ARG 54 2HH2 ARG 54 -3.714 22.439 -14.594 447 H THR 55 H THR 55 0.867 18.713 -8.925 448 HA THR 55 HA THR 55 3.426 17.589 -8.000 449 HB THR 55 HB THR 55 0.990 17.699 -6.259 450 HG1 THR 55 HG1 THR 55 1.099 19.820 -6.763 451 HG21 THR 55 3HG2 THR 55 2.709 17.939 -4.497 452 HG22 THR 55 1HG2 THR 55 3.961 17.859 -5.736 453 HG23 THR 55 2HG2 THR 55 2.917 16.468 -5.446 454 H LEU 56 H LEU 56 3.362 15.442 -7.033 455 HA LEU 56 HA LEU 56 2.183 13.532 -8.688 456 HB2 LEU 56 2HB LEU 56 3.344 13.361 -5.924 457 HB3 LEU 56 3HB LEU 56 2.732 11.943 -6.771 458 HG LEU 56 HG LEU 56 4.818 13.655 -8.058 459 HD11 LEU 56 1HD1 LEU 56 5.502 11.388 -6.212 460 HD12 LEU 56 2HD1 LEU 56 5.487 13.068 -5.678 461 HD13 LEU 56 3HD1 LEU 56 6.583 12.562 -6.963 462 HD21 LEU 56 3HD2 LEU 56 3.556 11.741 -9.186 463 HD22 LEU 56 1HD2 LEU 56 4.485 10.673 -8.133 464 HD23 LEU 56 2HD2 LEU 56 5.318 11.721 -9.281 465 H SER 57 H SER 57 1.266 14.484 -5.379 466 HA SER 57 HA SER 57 -0.999 12.828 -5.207 467 HB2 SER 57 2HB SER 57 -0.560 13.561 -3.107 468 HB3 SER 57 3HB SER 57 0.128 15.081 -3.677 469 HG SER 57 HG SER 57 -1.725 16.008 -3.353 470 H ASP 58 H ASP 58 -0.530 16.044 -6.512 471 HA ASP 58 HA ASP 58 -3.235 16.795 -6.727 472 HB2 ASP 58 2HB ASP 58 -0.938 18.105 -7.130 473 HB3 ASP 58 3HB ASP 58 -1.316 17.714 -8.805 474 H TYR 59 H TYR 59 -1.243 14.680 -8.615 475 HA TYR 59 HA TYR 59 -2.957 14.678 -10.925 476 HB2 TYR 59 2HB TYR 59 -0.356 13.945 -10.494 477 HB3 TYR 59 3HB TYR 59 -1.157 12.379 -10.563 478 HD1 TYR 59 HD1 TYR 59 -3.352 13.347 -12.538 479 HD2 TYR 59 HD2 TYR 59 0.892 13.639 -12.528 480 HE1 TYR 59 HE1 TYR 59 -3.360 13.456 -14.995 481 HE2 TYR 59 HE2 TYR 59 0.896 13.751 -14.985 482 HH TYR 59 HH TYR 59 -1.134 12.786 -16.872 483 H ASN 60 H ASN 60 -3.029 13.209 -7.876 484 HA ASN 60 HA ASN 60 -4.415 11.682 -6.918 485 HB2 ASN 60 2HB ASN 60 -6.011 12.987 -8.628 486 HB3 ASN 60 3HB ASN 60 -6.093 11.386 -9.357 487 HD21 ASN 60 1HD2 ASN 60 -6.435 9.598 -7.669 488 HD22 ASN 60 2HD2 ASN 60 -7.669 9.907 -6.500 489 H ILE 61 H ILE 61 -2.104 10.827 -8.432 490 HA ILE 61 HA ILE 61 -2.797 8.441 -9.869 491 HB ILE 61 HB ILE 61 -0.309 7.983 -9.719 492 HG12 ILE 61 2HG1 ILE 61 0.299 10.753 -9.039 493 HG13 ILE 61 3HG1 ILE 61 -0.425 9.879 -7.694 494 HG21 ILE 61 1HG2 ILE 61 -1.775 9.717 -11.321 495 HG22 ILE 61 2HG2 ILE 61 -0.321 10.620 -10.899 496 HG23 ILE 61 3HG2 ILE 61 -0.185 9.041 -11.672 497 HD11 ILE 61 3HD1 ILE 61 2.200 9.911 -8.206 498 HD12 ILE 61 1HD1 ILE 61 1.381 8.571 -7.404 499 HD13 ILE 61 2HD1 ILE 61 1.733 8.483 -9.131 500 H GLN 62 H GLN 62 -3.602 6.732 -8.843 501 HA GLN 62 HA GLN 62 -3.111 6.211 -6.073 502 HB2 GLN 62 2HB GLN 62 -4.671 4.907 -8.254 503 HB3 GLN 62 3HB GLN 62 -4.271 3.947 -6.836 504 HG2 GLN 62 2HG GLN 62 -5.229 6.019 -5.550 505 HG3 GLN 62 3HG GLN 62 -6.045 6.319 -7.082 506 HE21 GLN 62 1HE2 GLN 62 -7.361 4.576 -7.950 507 HE22 GLN 62 2HE2 GLN 62 -8.171 3.511 -6.857 508 H LYS 63 H LYS 63 -2.631 3.716 -5.590 509 HA LYS 63 HA LYS 63 0.115 3.354 -6.256 510 HB2 LYS 63 2HB LYS 63 -0.020 1.336 -4.893 511 HB3 LYS 63 3HB LYS 63 -0.812 2.680 -4.081 512 HG2 LYS 63 2HG LYS 63 -2.985 1.774 -5.047 513 HG3 LYS 63 3HG LYS 63 -2.068 0.316 -5.432 514 HD2 LYS 63 2HD LYS 63 -2.075 -0.372 -3.303 515 HD3 LYS 63 3HD LYS 63 -1.649 1.231 -2.698 516 HE2 LYS 63 2HE LYS 63 -3.725 1.261 -1.860 517 HE3 LYS 63 3HE LYS 63 -4.232 1.593 -3.515 518 HZ1 LYS 63 3HZ LYS 63 -4.782 -0.639 -3.862 519 HZ2 LYS 63 1HZ LYS 63 -5.383 -0.297 -2.318 520 HZ3 LYS 63 2HZ LYS 63 -3.943 -1.168 -2.492 521 H GLU 64 H GLU 64 1.090 1.892 -7.602 522 HA GLU 64 HA GLU 64 1.337 0.331 -9.253 523 HB2 GLU 64 2HB GLU 64 -1.564 -0.248 -8.642 524 HB3 GLU 64 3HB GLU 64 -0.617 -1.146 -9.820 525 HG2 GLU 64 2HG GLU 64 0.836 -1.984 -8.143 526 HG3 GLU 64 3HG GLU 64 0.163 -0.896 -6.930 527 H SER 65 H SER 65 0.540 3.116 -9.667 528 HA SER 65 HA SER 65 -1.191 3.103 -11.984 529 HB2 SER 65 2HB SER 65 -1.544 5.110 -10.971 530 HB3 SER 65 3HB SER 65 0.068 5.151 -10.259 531 HG SER 65 HG SER 65 -0.453 6.716 -12.010 532 H THR 66 H THR 66 -0.590 3.598 -14.094 533 HA THR 66 HA THR 66 2.280 3.253 -14.669 534 HB THR 66 HB THR 66 1.168 1.383 -15.589 535 HG1 THR 66 HG1 THR 66 2.575 2.613 -17.061 536 HG21 THR 66 3HG2 THR 66 -1.085 1.681 -15.646 537 HG22 THR 66 1HG2 THR 66 -0.752 2.024 -17.343 538 HG23 THR 66 2HG2 THR 66 -0.961 3.350 -16.200 539 H LEU 67 H LEU 67 3.300 4.908 -15.580 540 HA LEU 67 HA LEU 67 1.685 6.998 -16.885 541 HB2 LEU 67 2HB LEU 67 3.450 7.209 -14.759 542 HB3 LEU 67 3HB LEU 67 4.381 7.779 -16.143 543 HG LEU 67 HG LEU 67 2.177 9.220 -16.534 544 HD11 LEU 67 1HD1 LEU 67 2.196 9.490 -13.611 545 HD12 LEU 67 2HD1 LEU 67 1.457 8.011 -14.221 546 HD13 LEU 67 3HD1 LEU 67 0.857 9.581 -14.755 547 HD21 LEU 67 3HD2 LEU 67 4.335 10.208 -16.363 548 HD22 LEU 67 1HD2 LEU 67 4.450 9.811 -14.649 549 HD23 LEU 67 2HD2 LEU 67 3.294 11.025 -15.197 550 H HIS 68 H HIS 68 2.515 8.001 -18.767 551 HA HIS 68 HA HIS 68 4.191 6.216 -20.357 552 HB2 HIS 68 2HB HIS 68 1.901 7.332 -21.058 553 HB3 HIS 68 3HB HIS 68 2.942 8.689 -21.480 554 HD1 HIS 68 HD1 HIS 68 2.891 8.558 -23.979 555 HD2 HIS 68 HD2 HIS 68 3.785 4.904 -22.216 556 HE1 HIS 68 HE1 HIS 68 3.523 7.033 -25.876 557 H LEU 69 H LEU 69 6.191 6.709 -21.061 558 HA LEU 69 HA LEU 69 7.258 9.359 -20.337 559 HB2 LEU 69 2HB LEU 69 8.150 6.761 -19.662 560 HB3 LEU 69 3HB LEU 69 9.334 7.449 -20.773 561 HG LEU 69 HG LEU 69 8.414 8.827 -18.255 562 HD11 LEU 69 1HD1 LEU 69 9.840 6.500 -18.298 563 HD12 LEU 69 2HD1 LEU 69 9.915 7.717 -17.024 564 HD13 LEU 69 3HD1 LEU 69 11.117 7.717 -18.315 565 HD21 LEU 69 3HD2 LEU 69 10.114 10.361 -18.634 566 HD22 LEU 69 1HD2 LEU 69 9.466 10.084 -20.251 567 HD23 LEU 69 2HD2 LEU 69 10.963 9.295 -19.755 568 H VAL 70 H VAL 70 8.273 10.547 -21.861 569 HA VAL 70 HA VAL 70 8.199 9.531 -24.600 570 HB VAL 70 HB VAL 70 7.195 11.756 -24.050 571 HG11 VAL 70 1HG1 VAL 70 10.060 12.641 -23.741 572 HG12 VAL 70 2HG1 VAL 70 8.618 13.653 -23.633 573 HG13 VAL 70 3HG1 VAL 70 8.928 12.423 -22.407 574 HG21 VAL 70 3HG2 VAL 70 9.413 12.326 -25.938 575 HG22 VAL 70 1HG2 VAL 70 8.355 10.962 -26.301 576 HG23 VAL 70 2HG2 VAL 70 7.677 12.580 -26.120 577 H LEU 71 H LEU 71 9.990 9.691 -26.012 578 HA LEU 71 HA LEU 71 12.592 9.788 -24.631 579 HB2 LEU 71 2HB LEU 71 13.415 8.211 -26.304 580 HB3 LEU 71 3HB LEU 71 12.061 7.551 -25.389 581 HG LEU 71 HG LEU 71 11.278 8.836 -27.901 582 HD11 LEU 71 1HD1 LEU 71 13.387 6.763 -27.854 583 HD12 LEU 71 2HD1 LEU 71 13.047 8.014 -29.050 584 HD13 LEU 71 3HD1 LEU 71 12.074 6.543 -29.011 585 HD21 LEU 71 3HD2 LEU 71 10.779 6.129 -26.666 586 HD22 LEU 71 1HD2 LEU 71 9.980 6.758 -28.108 587 HD23 LEU 71 2HD2 LEU 71 9.734 7.546 -26.549 588 H ARG 72 H ARG 72 14.428 10.463 -25.976 589 HA ARG 72 HA ARG 72 13.616 12.606 -27.813 590 HB2 ARG 72 2HB ARG 72 15.127 12.905 -25.669 591 HB3 ARG 72 3HB ARG 72 16.398 12.356 -26.753 592 HG2 ARG 72 2HG ARG 72 15.980 14.191 -28.252 593 HG3 ARG 72 3HG ARG 72 14.590 14.701 -27.293 594 HD2 ARG 72 2HD ARG 72 15.914 15.932 -26.007 595 HD3 ARG 72 3HD ARG 72 16.837 14.496 -25.566 596 HE ARG 72 HE ARG 72 17.744 15.289 -28.058 597 HH11 ARG 72 1HH1 ARG 72 17.610 16.596 -24.834 598 HH12 ARG 72 2HH1 ARG 72 19.040 17.556 -25.023 599 HH21 ARG 72 1HH2 ARG 72 19.628 16.548 -28.319 600 HH22 ARG 72 2HH2 ARG 72 20.187 17.528 -27.006 601 H LEU 73 H LEU 73 13.878 12.285 -29.914 602 HA LEU 73 HA LEU 73 15.492 10.072 -30.864 603 HB2 LEU 73 2HB LEU 73 13.190 11.442 -31.760 604 HB3 LEU 73 3HB LEU 73 14.437 11.674 -32.983 605 HG LEU 73 HG LEU 73 12.955 9.749 -33.439 606 HD11 LEU 73 1HD1 LEU 73 15.807 8.966 -32.856 607 HD12 LEU 73 2HD1 LEU 73 15.266 9.838 -34.290 608 HD13 LEU 73 3HD1 LEU 73 14.712 8.189 -33.999 609 HD21 LEU 73 3HD2 LEU 73 12.696 9.181 -30.978 610 HD22 LEU 73 1HD2 LEU 73 14.271 8.396 -31.099 611 HD23 LEU 73 2HD2 LEU 73 12.923 7.824 -32.082 612 H ARG 74 H ARG 74 17.185 10.256 -32.374 613 HA ARG 74 HA ARG 74 18.582 12.838 -32.253 614 HB2 ARG 74 2HB ARG 74 19.463 10.009 -32.309 615 HB3 ARG 74 3HB ARG 74 20.463 11.154 -33.192 616 HG2 ARG 74 2HG ARG 74 21.126 12.250 -31.300 617 HG3 ARG 74 3HG ARG 74 19.663 11.825 -30.409 618 HD2 ARG 74 2HD ARG 74 21.234 10.484 -29.388 619 HD3 ARG 74 3HD ARG 74 20.581 9.395 -30.611 620 HE ARG 74 HE ARG 74 23.223 10.621 -30.591 621 HH11 ARG 74 1HH1 ARG 74 20.850 8.708 -32.272 622 HH12 ARG 74 2HH1 ARG 74 21.993 8.026 -33.380 623 HH21 ARG 74 1HH2 ARG 74 24.739 9.730 -32.045 624 HH22 ARG 74 2HH2 ARG 74 24.205 8.607 -33.250 625 H GLY 75 H GLY 75 18.374 14.064 -34.003 626 HA2 GLY 75 2HA GLY 75 19.153 14.182 -36.373 627 HA3 GLY 75 3HA GLY 75 18.213 12.719 -36.630 628 H GLY 76 H GLY 76 18.209 16.017 -36.966 629 HA2 GLY 76 2HA GLY 76 15.778 16.288 -38.164 630 HA3 GLY 76 3HA GLY 76 15.419 16.512 -36.458
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