NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
547320 | 2lvc | 18563 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H HIS 1 H1 HIS 1 -16.601 -19.054 -6.811 2 HA HIS 1 HA HIS 1 -13.665 -18.938 -6.483 3 HB2 HIS 1 HB2 HIS 1 -15.174 -18.047 -8.674 4 HB3 HIS 1 HB3 HIS 1 -15.040 -16.590 -7.709 5 HD1 HIS 1 HD1 HIS 1 -13.228 -15.205 -8.692 6 HD2 HIS 1 HD2 HIS 1 -12.268 -19.248 -8.771 7 HE1 HIS 1 HE1 HIS 1 -10.957 -15.336 -9.754 8 HE2 HIS 1 HE2 HIS 1 -10.383 -17.782 -9.765 9 H MET 2 H MET 2 -13.077 -17.978 -4.596 10 HA MET 2 HA MET 2 -14.987 -16.622 -2.869 11 HB2 MET 2 HB2 MET 2 -11.978 -17.025 -2.566 12 HB3 MET 2 HB3 MET 2 -13.049 -16.409 -1.313 13 HG2 MET 2 HG2 MET 2 -14.207 -18.556 -1.207 14 HG3 MET 2 HG3 MET 2 -13.215 -19.176 -2.533 15 HE1 MET 2 HE1 MET 2 -13.489 -20.753 0.243 16 HE2 MET 2 HE2 MET 2 -11.807 -21.199 0.530 17 HE3 MET 2 HE3 MET 2 -12.481 -21.306 -1.096 18 HA PRO 3 HA PRO 3 -14.481 -12.492 -4.537 19 HB2 PRO 3 HB2 PRO 3 -14.753 -11.539 -1.704 20 HB3 PRO 3 HB3 PRO 3 -15.668 -11.070 -3.144 21 HG2 PRO 3 HG2 PRO 3 -16.785 -12.691 -1.370 22 HG3 PRO 3 HG3 PRO 3 -16.984 -13.029 -3.105 23 HD2 PRO 3 HD2 PRO 3 -15.098 -14.321 -1.126 24 HD3 PRO 3 HD3 PRO 3 -16.120 -15.086 -2.368 25 H VAL 4 H VAL 4 -13.059 -11.602 -1.396 26 HA VAL 4 HA VAL 4 -10.331 -12.028 -1.964 27 HB VAL 4 HB VAL 4 -10.639 -10.322 -3.743 28 HG11 VAL 4 HG11 VAL 4 -11.336 -8.358 -1.536 29 HG12 VAL 4 HG12 VAL 4 -12.442 -8.991 -2.756 30 HG13 VAL 4 HG13 VAL 4 -11.095 -7.958 -3.241 31 HG21 VAL 4 HG21 VAL 4 -8.703 -8.875 -3.191 32 HG22 VAL 4 HG22 VAL 4 -8.416 -10.549 -2.708 33 HG23 VAL 4 HG23 VAL 4 -8.836 -9.342 -1.491 34 H HIS 5 H HIS 5 -9.075 -11.715 -0.174 35 HA HIS 5 HA HIS 5 -9.845 -9.808 1.930 36 HB2 HIS 5 HB2 HIS 5 -9.364 -12.778 2.401 37 HB3 HIS 5 HB3 HIS 5 -9.269 -11.584 3.695 38 HD1 HIS 5 HD1 HIS 5 -11.542 -10.162 4.062 39 HD2 HIS 5 HD2 HIS 5 -11.921 -13.719 1.949 40 HE1 HIS 5 HE1 HIS 5 -13.989 -10.686 4.083 41 HE2 HIS 5 HE2 HIS 5 -14.212 -12.733 2.644 42 H ILE 6 H ILE 6 -8.159 -8.520 2.161 43 HA ILE 6 HA ILE 6 -5.540 -8.946 1.181 44 HB ILE 6 HB ILE 6 -6.551 -6.914 3.224 45 HG12 ILE 6 HG12 ILE 6 -6.281 -6.617 0.196 46 HG13 ILE 6 HG13 ILE 6 -7.801 -6.863 1.047 47 HG21 ILE 6 HG21 ILE 6 -4.047 -6.819 1.512 48 HG22 ILE 6 HG22 ILE 6 -4.104 -7.050 3.262 49 HG23 ILE 6 HG23 ILE 6 -4.627 -5.520 2.558 50 HD11 ILE 6 HD11 ILE 6 -5.987 -4.461 1.311 51 HD12 ILE 6 HD12 ILE 6 -7.512 -4.702 2.172 52 HD13 ILE 6 HD13 ILE 6 -7.505 -4.545 0.417 53 H VAL 7 H VAL 7 -4.029 -10.336 2.066 54 HA VAL 7 HA VAL 7 -4.225 -11.338 4.764 55 HB VAL 7 HB VAL 7 -2.134 -12.619 4.264 56 HG11 VAL 7 HG11 VAL 7 -3.094 -14.075 2.504 57 HG12 VAL 7 HG12 VAL 7 -4.278 -12.823 2.118 58 HG13 VAL 7 HG13 VAL 7 -4.304 -13.603 3.701 59 HG21 VAL 7 HG21 VAL 7 -2.228 -11.257 1.534 60 HG22 VAL 7 HG22 VAL 7 -1.144 -12.576 1.989 61 HG23 VAL 7 HG23 VAL 7 -0.995 -11.002 2.773 62 H ASP 8 H ASP 8 -2.470 -8.705 3.312 63 HA ASP 8 HA ASP 8 -1.211 -7.996 5.849 64 HB2 ASP 8 HB2 ASP 8 0.452 -9.503 4.809 65 HB3 ASP 8 HB3 ASP 8 0.420 -8.554 3.324 66 HA PRO 9 HA PRO 9 -0.503 -6.411 6.872 67 HB2 PRO 9 HB2 PRO 9 -0.664 -3.965 7.968 68 HB3 PRO 9 HB3 PRO 9 0.627 -4.363 6.823 69 HG2 PRO 9 HG2 PRO 9 -1.916 -2.822 6.353 70 HG3 PRO 9 HG3 PRO 9 -0.283 -2.490 5.747 71 HD2 PRO 9 HD2 PRO 9 -2.309 -3.798 4.305 72 HD3 PRO 9 HD3 PRO 9 -0.576 -3.862 3.918 73 H ARG 10 H ARG 10 -1.623 -6.793 8.800 74 HA ARG 10 HA ARG 10 -4.560 -6.370 8.785 75 HB2 ARG 10 HB2 ARG 10 -2.827 -8.564 9.954 76 HB3 ARG 10 HB3 ARG 10 -4.459 -8.302 10.559 77 HG2 ARG 10 HG2 ARG 10 -3.779 -8.886 7.650 78 HG3 ARG 10 HG3 ARG 10 -4.309 -10.094 8.827 79 HD2 ARG 10 HD2 ARG 10 -6.439 -8.885 9.121 80 HD3 ARG 10 HD3 ARG 10 -5.914 -7.660 7.961 81 HE ARG 10 HE ARG 10 -5.738 -9.859 6.478 82 HH11 ARG 10 HH11 ARG 10 -8.325 -8.924 8.585 83 HH12 ARG 10 HH12 ARG 10 -9.523 -9.595 7.543 84 HH21 ARG 10 HH21 ARG 10 -7.284 -10.680 5.189 85 HH22 ARG 10 HH22 ARG 10 -8.948 -10.544 5.634 86 H GLU 11 H GLU 11 -3.704 -4.150 9.475 87 HA GLU 11 HA GLU 11 -4.669 -3.668 12.088 88 HB2 GLU 11 HB2 GLU 11 -2.668 -2.768 13.214 89 HB3 GLU 11 HB3 GLU 11 -2.403 -4.454 12.790 90 HG2 GLU 11 HG2 GLU 11 -1.041 -3.772 10.851 91 HG3 GLU 11 HG3 GLU 11 -1.321 -2.075 11.248 92 H HIS 12 H HIS 12 -4.534 -1.305 12.668 93 HA HIS 12 HA HIS 12 -4.631 0.509 10.452 94 HB2 HIS 12 HB2 HIS 12 -4.759 2.291 12.258 95 HB3 HIS 12 HB3 HIS 12 -5.984 1.037 12.370 96 HD1 HIS 12 HD1 HIS 12 -2.693 2.016 14.025 97 HD2 HIS 12 HD2 HIS 12 -6.138 -0.162 14.846 98 HE1 HIS 12 HE1 HIS 12 -2.519 1.369 16.437 99 HE2 HIS 12 HE2 HIS 12 -4.523 -0.075 16.868 100 H VAL 13 H VAL 13 -2.917 1.415 9.422 101 HA VAL 13 HA VAL 13 -0.207 0.935 10.489 102 HB VAL 13 HB VAL 13 -1.045 1.720 7.665 103 HG11 VAL 13 HG11 VAL 13 1.233 0.986 6.998 104 HG12 VAL 13 HG12 VAL 13 1.640 0.704 8.692 105 HG13 VAL 13 HG13 VAL 13 1.292 2.341 8.130 106 HG21 VAL 13 HG21 VAL 13 -1.977 -0.475 8.278 107 HG22 VAL 13 HG22 VAL 13 -0.371 -1.040 8.749 108 HG23 VAL 13 HG23 VAL 13 -0.708 -0.646 7.061 109 H PHE 14 H PHE 14 0.347 2.668 11.799 110 HA PHE 14 HA PHE 14 -0.045 5.428 10.881 111 HB2 PHE 14 HB2 PHE 14 -0.404 4.842 13.297 112 HB3 PHE 14 HB3 PHE 14 1.297 4.421 13.435 113 HD1 PHE 14 HD1 PHE 14 -1.090 7.224 12.950 114 HD2 PHE 14 HD2 PHE 14 2.998 6.167 13.662 115 HE1 PHE 14 HE1 PHE 14 -0.570 9.564 13.495 116 HE2 PHE 14 HE2 PHE 14 3.504 8.513 14.206 117 HZ PHE 14 HZ PHE 14 1.722 10.211 14.125 118 H VAL 15 H VAL 15 1.379 6.126 9.407 119 HA VAL 15 HA VAL 15 4.240 5.417 9.573 120 HB VAL 15 HB VAL 15 2.735 6.831 7.319 121 HG11 VAL 15 HG11 VAL 15 4.758 6.395 5.956 122 HG12 VAL 15 HG12 VAL 15 5.562 5.694 7.361 123 HG13 VAL 15 HG13 VAL 15 5.139 7.408 7.352 124 HG21 VAL 15 HG21 VAL 15 2.877 4.697 6.078 125 HG22 VAL 15 HG22 VAL 15 1.938 4.509 7.561 126 HG23 VAL 15 HG23 VAL 15 3.601 3.917 7.488 127 H HIS 16 H HIS 16 5.406 6.848 10.783 128 HA HIS 16 HA HIS 16 4.860 9.720 10.736 129 HB2 HIS 16 HB2 HIS 16 5.694 8.823 12.844 130 HB3 HIS 16 HB3 HIS 16 7.084 8.096 12.049 131 HD1 HIS 16 HD1 HIS 16 9.177 9.449 12.167 132 HD2 HIS 16 HD2 HIS 16 5.803 11.813 12.666 133 HE1 HIS 16 HE1 HIS 16 10.041 11.760 12.601 134 HE2 HIS 16 HE2 HIS 16 7.986 13.135 13.063 135 H ALA 17 H ALA 17 5.680 11.013 9.189 136 HA ALA 17 HA ALA 17 8.032 10.201 7.586 137 HB1 ALA 17 HB1 ALA 17 5.964 9.708 6.343 138 HB2 ALA 17 HB2 ALA 17 6.872 11.006 5.567 139 HB3 ALA 17 HB3 ALA 17 5.438 11.382 6.530 140 H ILE 18 H ILE 18 9.162 11.943 6.588 141 HA ILE 18 HA ILE 18 8.566 14.724 7.427 142 HB ILE 18 HB ILE 18 11.362 13.469 7.339 143 HG12 ILE 18 HG12 ILE 18 10.085 12.724 9.351 144 HG13 ILE 18 HG13 ILE 18 11.475 13.710 9.780 145 HG21 ILE 18 HG21 ILE 18 11.491 15.811 6.686 146 HG22 ILE 18 HG22 ILE 18 12.198 15.607 8.290 147 HG23 ILE 18 HG23 ILE 18 10.581 16.296 8.120 148 HD11 ILE 18 HD11 ILE 18 9.532 14.224 11.153 149 HD12 ILE 18 HD12 ILE 18 8.604 14.650 9.716 150 HD13 ILE 18 HD13 ILE 18 10.003 15.620 10.185 151 H THR 19 H THR 19 9.597 16.313 5.861 152 HA THR 19 HA THR 19 8.934 15.855 3.191 153 HB THR 19 HB THR 19 10.137 17.969 2.667 154 HG1 THR 19 HG1 THR 19 11.414 18.955 4.204 155 HG21 THR 19 HG21 THR 19 8.928 19.464 4.210 156 HG22 THR 19 HG22 THR 19 8.622 18.111 5.302 157 HG23 THR 19 HG23 THR 19 7.894 18.131 3.694 158 H SER 20 H SER 20 12.083 15.427 4.767 159 HA SER 20 HA SER 20 13.426 14.722 2.231 160 HB2 SER 20 HB2 SER 20 14.582 15.052 5.032 161 HB3 SER 20 HB3 SER 20 15.519 14.806 3.557 162 HG SER 20 HG SER 20 13.967 16.854 3.056 163 H GLU 21 H GLU 21 11.398 12.969 3.799 164 HA GLU 21 HA GLU 21 13.044 10.502 4.033 165 HB2 GLU 21 HB2 GLU 21 10.265 11.127 5.150 166 HB3 GLU 21 HB3 GLU 21 11.020 9.535 5.219 167 HG2 GLU 21 HG2 GLU 21 12.012 12.066 6.554 168 HG3 GLU 21 HG3 GLU 21 11.264 10.684 7.347 169 H CYS 22 H CYS 22 12.127 8.509 3.204 170 HA CYS 22 HA CYS 22 10.422 8.845 0.790 171 HB2 CYS 22 HB2 CYS 22 11.620 6.885 -0.161 172 HB3 CYS 22 HB3 CYS 22 12.728 8.202 0.207 173 HG CYS 22 HG CYS 22 12.294 5.481 2.235 174 H VAL 23 H VAL 23 8.397 8.150 1.262 175 HA VAL 23 HA VAL 23 7.994 5.907 3.137 176 HB VAL 23 HB VAL 23 6.021 7.934 1.988 177 HG11 VAL 23 HG11 VAL 23 5.438 5.652 3.925 178 HG12 VAL 23 HG12 VAL 23 4.838 5.787 2.270 179 HG13 VAL 23 HG13 VAL 23 4.308 6.941 3.495 180 HG21 VAL 23 HG21 VAL 23 7.517 8.838 3.729 181 HG22 VAL 23 HG22 VAL 23 7.062 7.527 4.822 182 HG23 VAL 23 HG23 VAL 23 5.861 8.725 4.332 183 H MET 24 H MET 24 8.169 4.026 2.179 184 HA MET 24 HA MET 24 6.865 3.485 -0.421 185 HB2 MET 24 HB2 MET 24 9.294 3.023 -0.336 186 HB3 MET 24 HB3 MET 24 9.065 1.954 1.040 187 HG2 MET 24 HG2 MET 24 7.753 0.423 -0.372 188 HG3 MET 24 HG3 MET 24 7.987 1.505 -1.751 189 HE1 MET 24 HE1 MET 24 8.739 -1.586 -1.877 190 HE2 MET 24 HE2 MET 24 10.323 -1.530 -2.653 191 HE3 MET 24 HE3 MET 24 9.022 -0.483 -3.223 192 H LEU 25 H LEU 25 4.791 3.137 0.249 193 HA LEU 25 HA LEU 25 4.032 1.438 2.449 194 HB2 LEU 25 HB2 LEU 25 2.383 2.563 0.150 195 HB3 LEU 25 HB3 LEU 25 1.722 1.796 1.591 196 HG LEU 25 HG LEU 25 3.308 4.401 1.559 197 HD11 LEU 25 HD11 LEU 25 0.331 3.959 1.936 198 HD12 LEU 25 HD12 LEU 25 1.114 4.679 0.526 199 HD13 LEU 25 HD13 LEU 25 1.181 5.502 2.082 200 HD21 LEU 25 HD21 LEU 25 3.642 3.194 3.664 201 HD22 LEU 25 HD22 LEU 25 1.898 3.018 3.873 202 HD23 LEU 25 HD23 LEU 25 2.639 4.619 3.926 203 H ALA 26 H ALA 26 2.905 -0.581 2.277 204 HA ALA 26 HA ALA 26 3.006 -2.053 -0.262 205 HB1 ALA 26 HB1 ALA 26 4.240 -3.945 0.708 206 HB2 ALA 26 HB2 ALA 26 4.413 -3.078 2.236 207 HB3 ALA 26 HB3 ALA 26 5.207 -2.471 0.782 208 H CYS 27 H CYS 27 1.405 -3.494 -0.466 209 HA CYS 27 HA CYS 27 -0.169 -4.484 1.787 210 HB2 CYS 27 HB2 CYS 27 -1.356 -2.435 1.118 211 HB3 CYS 27 HB3 CYS 27 -1.379 -2.957 -0.566 212 HG CYS 27 HG CYS 27 -2.764 -5.055 1.661 213 H GLU 28 H GLU 28 -0.251 -6.619 1.506 214 HA GLU 28 HA GLU 28 -0.153 -7.813 -1.204 215 HB2 GLU 28 HB2 GLU 28 1.711 -8.316 0.435 216 HB3 GLU 28 HB3 GLU 28 0.528 -9.105 1.471 217 HG2 GLU 28 HG2 GLU 28 0.047 -10.704 -0.406 218 HG3 GLU 28 HG3 GLU 28 1.351 -9.947 -1.324 219 H VAL 29 H VAL 29 -1.921 -8.927 -1.901 220 HA VAL 29 HA VAL 29 -4.163 -9.488 -0.063 221 HB VAL 29 HB VAL 29 -5.476 -10.006 -2.161 222 HG11 VAL 29 HG11 VAL 29 -5.717 -7.664 -2.899 223 HG12 VAL 29 HG12 VAL 29 -4.207 -7.249 -2.082 224 HG13 VAL 29 HG13 VAL 29 -5.602 -7.781 -1.140 225 HG21 VAL 29 HG21 VAL 29 -3.630 -10.661 -3.649 226 HG22 VAL 29 HG22 VAL 29 -2.980 -9.018 -3.605 227 HG23 VAL 29 HG23 VAL 29 -4.545 -9.330 -4.365 228 H ASP 30 H ASP 30 -5.392 -11.511 -0.461 229 HA ASP 30 HA ASP 30 -3.788 -13.839 -0.127 230 HB2 ASP 30 HB2 ASP 30 -5.961 -15.038 0.025 231 HB3 ASP 30 HB3 ASP 30 -5.896 -13.630 1.067 232 H ARG 31 H ARG 31 -5.680 -12.566 -2.839 233 HA ARG 31 HA ARG 31 -4.940 -14.907 -4.515 234 HB2 ARG 31 HB2 ARG 31 -7.299 -13.037 -4.985 235 HB3 ARG 31 HB3 ARG 31 -6.941 -14.550 -5.824 236 HG2 ARG 31 HG2 ARG 31 -7.287 -15.741 -3.608 237 HG3 ARG 31 HG3 ARG 31 -7.843 -14.197 -2.948 238 HD2 ARG 31 HD2 ARG 31 -9.112 -15.850 -5.146 239 HD3 ARG 31 HD3 ARG 31 -9.785 -15.450 -3.567 240 HE ARG 31 HE ARG 31 -9.999 -13.149 -4.314 241 HH11 ARG 31 HH11 ARG 31 -9.571 -15.506 -6.806 242 HH12 ARG 31 HH12 ARG 31 -10.194 -14.463 -8.029 243 HH21 ARG 31 HH21 ARG 31 -10.806 -11.851 -5.907 244 HH22 ARG 31 HH22 ARG 31 -10.910 -12.447 -7.524 245 H GLU 32 H GLU 32 -3.636 -14.541 -6.175 246 HA GLU 32 HA GLU 32 -2.541 -12.073 -6.977 247 HB2 GLU 32 HB2 GLU 32 -1.605 -14.418 -7.298 248 HB3 GLU 32 HB3 GLU 32 -2.742 -14.644 -8.617 249 HG2 GLU 32 HG2 GLU 32 -0.671 -12.433 -8.629 250 HG3 GLU 32 HG3 GLU 32 -0.288 -14.061 -9.171 251 H ASP 33 H ASP 33 -5.474 -13.693 -7.878 252 HA ASP 33 HA ASP 33 -6.212 -12.567 -10.336 253 HB2 ASP 33 HB2 ASP 33 -8.031 -13.343 -8.009 254 HB3 ASP 33 HB3 ASP 33 -8.526 -13.168 -9.693 255 H ALA 34 H ALA 34 -6.504 -11.220 -7.044 256 HA ALA 34 HA ALA 34 -8.027 -8.879 -8.075 257 HB1 ALA 34 HB1 ALA 34 -9.479 -10.376 -6.767 258 HB2 ALA 34 HB2 ALA 34 -9.267 -8.823 -5.957 259 HB3 ALA 34 HB3 ALA 34 -8.388 -10.246 -5.387 260 HA PRO 35 HA PRO 35 -4.202 -7.058 -6.065 261 HB2 PRO 35 HB2 PRO 35 -4.219 -5.249 -8.425 262 HB3 PRO 35 HB3 PRO 35 -2.931 -6.309 -7.843 263 HG2 PRO 35 HG2 PRO 35 -4.268 -6.841 -10.123 264 HG3 PRO 35 HG3 PRO 35 -3.712 -8.146 -9.050 265 HD2 PRO 35 HD2 PRO 35 -6.470 -6.907 -9.246 266 HD3 PRO 35 HD3 PRO 35 -6.009 -8.627 -9.231 267 H VAL 36 H VAL 36 -4.209 -5.186 -4.752 268 HA VAL 36 HA VAL 36 -6.632 -3.616 -4.576 269 HB VAL 36 HB VAL 36 -5.646 -2.399 -2.717 270 HG11 VAL 36 HG11 VAL 36 -6.495 -4.623 -2.192 271 HG12 VAL 36 HG12 VAL 36 -5.124 -4.230 -1.156 272 HG13 VAL 36 HG13 VAL 36 -4.912 -5.328 -2.522 273 HG21 VAL 36 HG21 VAL 36 -3.323 -2.713 -1.941 274 HG22 VAL 36 HG22 VAL 36 -3.361 -2.031 -3.568 275 HG23 VAL 36 HG23 VAL 36 -2.989 -3.739 -3.338 276 H ARG 37 H ARG 37 -6.908 -1.417 -4.960 277 HA ARG 37 HA ARG 37 -4.847 0.010 -6.532 278 HB2 ARG 37 HB2 ARG 37 -7.776 0.772 -6.106 279 HB3 ARG 37 HB3 ARG 37 -6.629 1.550 -7.201 280 HG2 ARG 37 HG2 ARG 37 -6.479 -0.658 -8.444 281 HG3 ARG 37 HG3 ARG 37 -7.810 -1.234 -7.430 282 HD2 ARG 37 HD2 ARG 37 -7.925 1.176 -9.284 283 HD3 ARG 37 HD3 ARG 37 -8.564 -0.430 -9.654 284 HE ARG 37 HE ARG 37 -9.604 0.843 -7.247 285 HH11 ARG 37 HH11 ARG 37 -10.113 0.303 -10.624 286 HH12 ARG 37 HH12 ARG 37 -11.809 0.610 -10.516 287 HH21 ARG 37 HH21 ARG 37 -11.772 1.236 -7.147 288 HH22 ARG 37 HH22 ARG 37 -12.729 1.137 -8.582 289 H TRP 38 H TRP 38 -3.882 1.801 -5.668 290 HA TRP 38 HA TRP 38 -4.238 2.367 -2.820 291 HB2 TRP 38 HB2 TRP 38 -2.251 3.391 -4.910 292 HB3 TRP 38 HB3 TRP 38 -2.241 3.908 -3.228 293 HD1 TRP 38 HD1 TRP 38 -1.119 1.035 -5.456 294 HE1 TRP 38 HE1 TRP 38 0.229 -0.631 -4.035 295 HE3 TRP 38 HE3 TRP 38 -2.149 2.908 -0.810 296 HZ2 TRP 38 HZ2 TRP 38 0.762 -1.116 -1.307 297 HZ3 TRP 38 HZ3 TRP 38 -1.192 1.789 1.156 298 HH2 TRP 38 HH2 TRP 38 0.241 -0.187 0.913 299 H TYR 39 H TYR 39 -5.327 4.151 -2.021 300 HA TYR 39 HA TYR 39 -6.240 6.231 -3.935 301 HB2 TYR 39 HB2 TYR 39 -7.645 5.074 -1.503 302 HB3 TYR 39 HB3 TYR 39 -8.151 6.594 -2.235 303 HD1 TYR 39 HD1 TYR 39 -7.363 3.074 -3.335 304 HD2 TYR 39 HD2 TYR 39 -9.927 6.465 -3.778 305 HE1 TYR 39 HE1 TYR 39 -8.720 1.832 -4.955 306 HE2 TYR 39 HE2 TYR 39 -11.289 5.209 -5.399 307 HH TYR 39 HH TYR 39 -10.836 3.233 -7.027 308 H LYS 40 H LYS 40 -5.539 8.262 -3.632 309 HA LYS 40 HA LYS 40 -4.151 9.010 -1.157 310 HB2 LYS 40 HB2 LYS 40 -3.434 9.550 -3.676 311 HB3 LYS 40 HB3 LYS 40 -4.534 10.906 -3.501 312 HG2 LYS 40 HG2 LYS 40 -2.114 10.350 -1.746 313 HG3 LYS 40 HG3 LYS 40 -2.173 11.507 -3.065 314 HD2 LYS 40 HD2 LYS 40 -3.768 12.893 -1.842 315 HD3 LYS 40 HD3 LYS 40 -3.905 11.679 -0.571 316 HE2 LYS 40 HE2 LYS 40 -1.509 12.037 -0.013 317 HE3 LYS 40 HE3 LYS 40 -1.437 13.312 -1.234 318 HZ1 LYS 40 HZ1 LYS 40 -1.781 14.223 0.958 319 HZ2 LYS 40 HZ2 LYS 40 -3.182 13.296 1.170 320 HZ3 LYS 40 HZ3 LYS 40 -3.143 14.511 -0.001 321 H ASP 41 H ASP 41 -5.782 9.231 0.351 322 HA ASP 41 HA ASP 41 -7.671 9.911 1.441 323 HB2 ASP 41 HB2 ASP 41 -6.851 12.505 0.077 324 HB3 ASP 41 HB3 ASP 41 -8.053 12.423 1.360 325 H GLY 42 H GLY 42 -8.360 8.527 -0.859 326 HA2 GLY 42 HA2 GLY 42 -10.454 7.952 -1.761 327 HA3 GLY 42 HA3 GLY 42 -11.040 9.569 -1.432 328 H GLN 43 H GLN 43 -8.526 10.634 -2.867 329 HA GLN 43 HA GLN 43 -9.662 11.185 -5.387 330 HB2 GLN 43 HB2 GLN 43 -8.053 12.686 -4.323 331 HB3 GLN 43 HB3 GLN 43 -6.799 11.454 -4.383 332 HG2 GLN 43 HG2 GLN 43 -6.758 11.617 -6.847 333 HG3 GLN 43 HG3 GLN 43 -8.026 12.841 -6.790 334 HE21 GLN 43 HE21 GLN 43 -6.730 14.388 -7.799 335 HE22 GLN 43 HE22 GLN 43 -5.391 15.147 -7.015 336 H GLU 44 H GLU 44 -7.720 8.529 -4.370 337 HA GLU 44 HA GLU 44 -6.779 6.732 -5.262 338 HB2 GLU 44 HB2 GLU 44 -8.847 6.517 -6.662 339 HB3 GLU 44 HB3 GLU 44 -8.021 7.381 -7.954 340 HG2 GLU 44 HG2 GLU 44 -6.303 5.587 -8.031 341 HG3 GLU 44 HG3 GLU 44 -7.159 4.722 -6.758 342 H VAL 45 H VAL 45 -4.743 6.410 -5.704 343 HA VAL 45 HA VAL 45 -3.025 8.550 -6.491 344 HB VAL 45 HB VAL 45 -2.365 5.623 -5.911 345 HG11 VAL 45 HG11 VAL 45 -0.055 6.407 -5.488 346 HG12 VAL 45 HG12 VAL 45 -0.514 8.035 -5.993 347 HG13 VAL 45 HG13 VAL 45 -0.543 6.709 -7.159 348 HG21 VAL 45 HG21 VAL 45 -3.465 6.714 -3.989 349 HG22 VAL 45 HG22 VAL 45 -2.275 8.016 -4.034 350 HG23 VAL 45 HG23 VAL 45 -1.769 6.374 -3.639 351 H GLU 46 H GLU 46 -2.289 8.988 -8.472 352 HA GLU 46 HA GLU 46 -2.669 7.068 -10.695 353 HB2 GLU 46 HB2 GLU 46 -4.013 9.181 -10.776 354 HB3 GLU 46 HB3 GLU 46 -2.524 10.116 -10.778 355 HG2 GLU 46 HG2 GLU 46 -1.909 9.135 -12.953 356 HG3 GLU 46 HG3 GLU 46 -3.384 8.166 -12.936 357 H GLU 47 H GLU 47 -1.015 6.879 -12.264 358 HA GLU 47 HA GLU 47 1.641 6.838 -11.240 359 HB2 GLU 47 HB2 GLU 47 0.712 6.398 -14.118 360 HB3 GLU 47 HB3 GLU 47 2.277 5.946 -13.459 361 HG2 GLU 47 HG2 GLU 47 1.150 3.911 -13.463 362 HG3 GLU 47 HG3 GLU 47 0.915 4.456 -11.807 363 H SER 48 H SER 48 3.020 8.477 -11.151 364 HA SER 48 HA SER 48 2.971 10.707 -13.103 365 HB2 SER 48 HB2 SER 48 1.771 11.424 -11.059 366 HB3 SER 48 HB3 SER 48 3.137 10.933 -10.060 367 HG SER 48 HG SER 48 3.006 13.224 -10.566 368 H ASP 49 H ASP 49 4.994 12.170 -12.530 369 HA ASP 49 HA ASP 49 7.321 10.754 -13.248 370 HB2 ASP 49 HB2 ASP 49 6.861 13.093 -13.880 371 HB3 ASP 49 HB3 ASP 49 6.959 13.587 -12.195 372 H PHE 50 H PHE 50 6.274 12.070 -10.115 373 HA PHE 50 HA PHE 50 8.618 10.862 -8.747 374 HB2 PHE 50 HB2 PHE 50 8.213 12.513 -6.917 375 HB3 PHE 50 HB3 PHE 50 8.593 13.276 -8.452 376 HD1 PHE 50 HD1 PHE 50 6.691 14.315 -9.816 377 HD2 PHE 50 HD2 PHE 50 6.159 13.041 -5.762 378 HE1 PHE 50 HE1 PHE 50 4.669 15.709 -9.636 379 HE2 PHE 50 HE2 PHE 50 4.138 14.437 -5.600 380 HZ PHE 50 HZ PHE 50 3.390 15.766 -7.532 381 H VAL 51 H VAL 51 5.268 10.492 -9.158 382 HA VAL 51 HA VAL 51 4.976 8.894 -6.671 383 HB VAL 51 HB VAL 51 2.743 9.788 -8.562 384 HG11 VAL 51 HG11 VAL 51 1.233 9.161 -6.705 385 HG12 VAL 51 HG12 VAL 51 2.617 8.616 -5.754 386 HG13 VAL 51 HG13 VAL 51 2.188 7.780 -7.249 387 HG21 VAL 51 HG21 VAL 51 2.144 11.498 -6.878 388 HG22 VAL 51 HG22 VAL 51 3.758 11.782 -7.537 389 HG23 VAL 51 HG23 VAL 51 3.574 11.071 -5.931 390 H VAL 52 H VAL 52 5.678 6.816 -7.137 391 HA VAL 52 HA VAL 52 4.828 5.594 -9.716 392 HB VAL 52 HB VAL 52 6.897 4.207 -9.674 393 HG11 VAL 52 HG11 VAL 52 8.453 5.995 -10.401 394 HG12 VAL 52 HG12 VAL 52 7.408 7.213 -9.663 395 HG13 VAL 52 HG13 VAL 52 6.824 6.259 -11.029 396 HG21 VAL 52 HG21 VAL 52 8.800 4.819 -8.194 397 HG22 VAL 52 HG22 VAL 52 7.417 4.244 -7.263 398 HG23 VAL 52 HG23 VAL 52 7.766 5.972 -7.340 399 H LEU 53 H LEU 53 3.756 3.740 -9.679 400 HA LEU 53 HA LEU 53 3.206 2.391 -7.101 401 HB2 LEU 53 HB2 LEU 53 1.633 2.462 -9.707 402 HB3 LEU 53 HB3 LEU 53 1.162 1.521 -8.297 403 HG LEU 53 HG LEU 53 1.410 4.563 -8.328 404 HD11 LEU 53 HD11 LEU 53 -0.434 3.875 -9.776 405 HD12 LEU 53 HD12 LEU 53 -1.047 4.630 -8.307 406 HD13 LEU 53 HD13 LEU 53 -1.110 2.873 -8.485 407 HD21 LEU 53 HD21 LEU 53 0.279 2.697 -6.205 408 HD22 LEU 53 HD22 LEU 53 0.256 4.460 -6.146 409 HD23 LEU 53 HD23 LEU 53 1.792 3.603 -6.102 410 H GLU 54 H GLU 54 4.498 0.653 -6.843 411 HA GLU 54 HA GLU 54 5.454 -0.912 -9.150 412 HB2 GLU 54 HB2 GLU 54 6.367 -0.942 -6.239 413 HB3 GLU 54 HB3 GLU 54 7.138 -1.804 -7.569 414 HG2 GLU 54 HG2 GLU 54 6.923 1.222 -7.327 415 HG3 GLU 54 HG3 GLU 54 8.344 0.267 -6.894 416 H ASN 55 H ASN 55 4.640 -2.933 -9.559 417 HA ASN 55 HA ASN 55 3.052 -4.311 -7.496 418 HB2 ASN 55 HB2 ASN 55 1.179 -4.677 -9.076 419 HB3 ASN 55 HB3 ASN 55 1.411 -2.979 -8.695 420 HD21 ASN 55 HD21 ASN 55 3.422 -2.262 -10.513 421 HD22 ASN 55 HD22 ASN 55 2.805 -2.437 -12.110 422 H GLU 56 H GLU 56 3.013 -6.477 -7.619 423 HA GLU 56 HA GLU 56 4.111 -8.003 -9.822 424 HB2 GLU 56 HB2 GLU 56 5.907 -9.045 -8.310 425 HB3 GLU 56 HB3 GLU 56 6.229 -7.408 -8.862 426 HG2 GLU 56 HG2 GLU 56 5.675 -6.477 -6.719 427 HG3 GLU 56 HG3 GLU 56 5.020 -8.007 -6.151 428 H GLY 57 H GLY 57 2.166 -9.116 -9.845 429 HA2 GLY 57 HA2 GLY 57 0.612 -10.723 -9.320 430 HA3 GLY 57 HA3 GLY 57 1.818 -11.387 -8.232 431 HA PRO 58 HA PRO 58 -1.380 -10.267 -5.127 432 HB2 PRO 58 HB2 PRO 58 0.528 -11.452 -3.162 433 HB3 PRO 58 HB3 PRO 58 -1.143 -11.904 -3.525 434 HG2 PRO 58 HG2 PRO 58 0.917 -13.465 -4.285 435 HG3 PRO 58 HG3 PRO 58 -0.531 -13.289 -5.302 436 HD2 PRO 58 HD2 PRO 58 2.161 -11.923 -5.580 437 HD3 PRO 58 HD3 PRO 58 1.147 -12.684 -6.833 438 H HIS 59 H HIS 59 1.982 -9.316 -5.167 439 HA HIS 59 HA HIS 59 1.837 -7.590 -2.805 440 HB2 HIS 59 HB2 HIS 59 4.094 -7.897 -4.822 441 HB3 HIS 59 HB3 HIS 59 4.205 -7.105 -3.256 442 HD1 HIS 59 HD1 HIS 59 5.261 -8.533 -1.536 443 HD2 HIS 59 HD2 HIS 59 3.403 -10.818 -4.459 444 HE1 HIS 59 HE1 HIS 59 5.815 -10.905 -0.980 445 HE2 HIS 59 HE2 HIS 59 4.858 -12.245 -2.867 446 H ARG 60 H ARG 60 1.308 -5.474 -2.868 447 HA ARG 60 HA ARG 60 1.491 -3.907 -5.394 448 HB2 ARG 60 HB2 ARG 60 -0.672 -3.691 -3.253 449 HB3 ARG 60 HB3 ARG 60 -0.585 -2.749 -4.743 450 HG2 ARG 60 HG2 ARG 60 -0.908 -5.772 -4.669 451 HG3 ARG 60 HG3 ARG 60 -2.266 -4.643 -4.740 452 HD2 ARG 60 HD2 ARG 60 -0.045 -4.749 -6.814 453 HD3 ARG 60 HD3 ARG 60 -1.580 -5.615 -6.958 454 HE ARG 60 HE ARG 60 -2.093 -2.895 -6.459 455 HH11 ARG 60 HH11 ARG 60 -0.990 -4.923 -9.037 456 HH12 ARG 60 HH12 ARG 60 -1.545 -3.832 -10.254 457 HH21 ARG 60 HH21 ARG 60 -2.810 -1.547 -8.048 458 HH22 ARG 60 HH22 ARG 60 -2.540 -1.955 -9.706 459 H ARG 61 H ARG 61 2.526 -1.928 -5.153 460 HA ARG 61 HA ARG 61 3.319 -1.037 -2.433 461 HB2 ARG 61 HB2 ARG 61 5.197 -1.121 -4.838 462 HB3 ARG 61 HB3 ARG 61 5.615 -0.675 -3.182 463 HG2 ARG 61 HG2 ARG 61 5.349 -2.972 -2.436 464 HG3 ARG 61 HG3 ARG 61 4.690 -3.457 -4.003 465 HD2 ARG 61 HD2 ARG 61 6.880 -2.891 -5.060 466 HD3 ARG 61 HD3 ARG 61 7.531 -2.503 -3.465 467 HE ARG 61 HE ARG 61 6.985 -5.150 -4.570 468 HH11 ARG 61 HH11 ARG 61 7.796 -3.380 -1.697 469 HH12 ARG 61 HH12 ARG 61 8.506 -4.753 -0.933 470 HH21 ARG 61 HH21 ARG 61 7.901 -6.869 -3.575 471 HH22 ARG 61 HH22 ARG 61 8.572 -6.704 -1.990 472 H LEU 62 H LEU 62 3.623 1.145 -2.159 473 HA LEU 62 HA LEU 62 3.221 3.022 -4.425 474 HB2 LEU 62 HB2 LEU 62 1.282 2.812 -2.743 475 HB3 LEU 62 HB3 LEU 62 2.344 3.510 -1.540 476 HG LEU 62 HG LEU 62 1.489 4.946 -4.102 477 HD11 LEU 62 HD11 LEU 62 0.354 5.242 -1.306 478 HD12 LEU 62 HD12 LEU 62 -0.455 4.507 -2.693 479 HD13 LEU 62 HD13 LEU 62 -0.068 6.224 -2.714 480 HD21 LEU 62 HD21 LEU 62 2.250 7.018 -2.994 481 HD22 LEU 62 HD22 LEU 62 3.581 5.882 -3.196 482 HD23 LEU 62 HD23 LEU 62 2.829 6.081 -1.611 483 H VAL 63 H VAL 63 5.329 3.642 -4.792 484 HA VAL 63 HA VAL 63 7.113 4.216 -2.513 485 HB VAL 63 HB VAL 63 7.842 4.120 -5.468 486 HG11 VAL 63 HG11 VAL 63 9.443 5.421 -4.129 487 HG12 VAL 63 HG12 VAL 63 10.181 3.911 -4.664 488 HG13 VAL 63 HG13 VAL 63 9.623 4.075 -2.998 489 HG21 VAL 63 HG21 VAL 63 8.753 1.855 -5.062 490 HG22 VAL 63 HG22 VAL 63 7.010 1.906 -4.786 491 HG23 VAL 63 HG23 VAL 63 8.122 1.891 -3.414 492 H LEU 64 H LEU 64 7.186 6.252 -1.808 493 HA LEU 64 HA LEU 64 7.047 8.529 -3.704 494 HB2 LEU 64 HB2 LEU 64 5.300 8.065 -1.597 495 HB3 LEU 64 HB3 LEU 64 6.482 9.093 -0.818 496 HG LEU 64 HG LEU 64 4.654 10.470 -1.603 497 HD11 LEU 64 HD11 LEU 64 6.883 11.482 -1.797 498 HD12 LEU 64 HD12 LEU 64 5.766 12.101 -3.008 499 HD13 LEU 64 HD13 LEU 64 6.997 10.922 -3.469 500 HD21 LEU 64 HD21 LEU 64 5.107 9.349 -4.389 501 HD22 LEU 64 HD22 LEU 64 3.935 10.592 -3.936 502 HD23 LEU 64 HD23 LEU 64 3.759 8.951 -3.319 503 HA PRO 65 HA PRO 65 11.471 8.399 -2.372 504 HB2 PRO 65 HB2 PRO 65 12.334 10.325 -4.197 505 HB3 PRO 65 HB3 PRO 65 12.160 8.604 -4.563 506 HG2 PRO 65 HG2 PRO 65 10.223 10.861 -5.096 507 HG3 PRO 65 HG3 PRO 65 10.723 9.540 -6.177 508 HD2 PRO 65 HD2 PRO 65 8.381 9.413 -4.885 509 HD3 PRO 65 HD3 PRO 65 9.379 7.951 -5.063 510 H ALA 66 H ALA 66 9.921 11.583 -3.062 511 HA ALA 66 HA ALA 66 11.101 12.680 -0.557 512 HB1 ALA 66 HB1 ALA 66 10.983 14.905 -1.599 513 HB2 ALA 66 HB2 ALA 66 10.317 14.201 -3.076 514 HB3 ALA 66 HB3 ALA 66 11.964 13.812 -2.575 515 H THR 67 H THR 67 9.439 12.139 0.815 516 HA THR 67 HA THR 67 6.662 12.287 0.113 517 HB THR 67 HB THR 67 7.808 11.941 2.922 518 HG1 THR 67 HG1 THR 67 8.684 10.382 1.488 519 HG21 THR 67 HG21 THR 67 5.350 12.372 2.829 520 HG22 THR 67 HG22 THR 67 5.703 10.731 3.370 521 HG23 THR 67 HG23 THR 67 5.161 11.016 1.714 522 H GLN 68 H GLN 68 5.949 14.289 -0.331 523 HA GLN 68 HA GLN 68 6.762 16.712 0.981 524 HB2 GLN 68 HB2 GLN 68 4.353 16.264 -0.833 525 HB3 GLN 68 HB3 GLN 68 5.172 17.796 -0.530 526 HG2 GLN 68 HG2 GLN 68 7.101 17.087 -1.785 527 HG3 GLN 68 HG3 GLN 68 6.492 15.435 -1.902 528 HE21 GLN 68 HE21 GLN 68 4.634 15.046 -3.228 529 HE22 GLN 68 HE22 GLN 68 4.261 16.105 -4.542 530 HA PRO 69 HA PRO 69 3.384 17.142 4.097 531 HB2 PRO 69 HB2 PRO 69 2.731 19.833 3.758 532 HB3 PRO 69 HB3 PRO 69 4.074 19.252 4.753 533 HG2 PRO 69 HG2 PRO 69 4.116 20.278 1.917 534 HG3 PRO 69 HG3 PRO 69 5.241 20.627 3.247 535 HD2 PRO 69 HD2 PRO 69 5.872 18.866 1.313 536 HD3 PRO 69 HD3 PRO 69 6.362 18.576 2.998 537 H SER 70 H SER 70 3.047 18.098 0.721 538 HA SER 70 HA SER 70 0.252 18.120 0.396 539 HB2 SER 70 HB2 SER 70 2.371 17.149 -1.575 540 HB3 SER 70 HB3 SER 70 0.718 17.622 -1.986 541 HG SER 70 HG SER 70 1.890 19.417 -2.357 542 H ASP 71 H ASP 71 2.554 15.390 0.510 543 HA ASP 71 HA ASP 71 0.538 13.368 -0.104 544 HB2 ASP 71 HB2 ASP 71 3.450 13.029 0.728 545 HB3 ASP 71 HB3 ASP 71 2.402 11.757 0.101 546 H GLY 72 H GLY 72 0.895 15.076 2.599 547 HA2 GLY 72 HA2 GLY 72 1.088 13.010 4.643 548 HA3 GLY 72 HA3 GLY 72 0.868 14.731 4.895 549 H GLY 73 H GLY 73 -0.865 11.863 3.708 550 HA2 GLY 73 HA2 GLY 73 -3.253 12.590 5.275 551 HA3 GLY 73 HA3 GLY 73 -3.448 12.399 3.536 552 H GLU 74 H GLU 74 -4.990 10.674 4.178 553 HA GLU 74 HA GLU 74 -3.727 8.174 5.116 554 HB2 GLU 74 HB2 GLU 74 -6.678 8.928 5.007 555 HB3 GLU 74 HB3 GLU 74 -6.051 7.368 5.550 556 HG2 GLU 74 HG2 GLU 74 -4.786 8.565 7.350 557 HG3 GLU 74 HG3 GLU 74 -5.566 10.067 6.851 558 H PHE 75 H PHE 75 -3.232 6.700 3.695 559 HA PHE 75 HA PHE 75 -4.376 6.624 1.007 560 HB2 PHE 75 HB2 PHE 75 -1.947 5.218 2.194 561 HB3 PHE 75 HB3 PHE 75 -2.458 5.098 0.511 562 HD1 PHE 75 HD2 PHE 75 -1.092 7.423 3.082 563 HD2 PHE 75 HD1 PHE 75 -1.982 6.871 -1.065 564 HE1 PHE 75 HE2 PHE 75 0.206 9.439 2.527 565 HE2 PHE 75 HE1 PHE 75 -0.685 8.887 -1.603 566 HZ PHE 75 HZ PHE 75 0.413 10.171 0.186 567 H GLN 76 H GLN 76 -5.853 5.163 0.460 568 HA GLN 76 HA GLN 76 -6.473 2.890 2.275 569 HB2 GLN 76 HB2 GLN 76 -8.194 4.690 2.166 570 HB3 GLN 76 HB3 GLN 76 -8.312 4.474 0.423 571 HG2 GLN 76 HG2 GLN 76 -9.161 2.172 0.778 572 HG3 GLN 76 HG3 GLN 76 -9.052 2.413 2.525 573 HE21 GLN 76 HE21 GLN 76 -10.788 3.305 -0.381 574 HE22 GLN 76 HE22 GLN 76 -12.142 4.012 0.416 575 H CYS 77 H CYS 77 -5.674 1.043 1.374 576 HA CYS 77 HA CYS 77 -5.505 0.710 -1.535 577 HB2 CYS 77 HB2 CYS 77 -4.227 -1.330 -1.000 578 HB3 CYS 77 HB3 CYS 77 -3.573 0.061 -0.146 579 HG CYS 77 HG CYS 77 -4.911 -2.755 1.042 580 H VAL 78 H VAL 78 -7.486 0.283 -2.372 581 HA VAL 78 HA VAL 78 -9.449 -1.403 -1.007 582 HB VAL 78 HB VAL 78 -9.696 0.164 -3.622 583 HG11 VAL 78 HG11 VAL 78 -11.342 -1.669 -3.539 584 HG12 VAL 78 HG12 VAL 78 -12.156 -0.116 -3.339 585 HG13 VAL 78 HG13 VAL 78 -11.874 -1.149 -1.936 586 HG21 VAL 78 HG21 VAL 78 -9.283 1.659 -1.715 587 HG22 VAL 78 HG22 VAL 78 -10.620 0.923 -0.825 588 HG23 VAL 78 HG23 VAL 78 -10.940 1.840 -2.300 589 H ALA 79 H ALA 79 -9.147 -3.567 -1.294 590 HA ALA 79 HA ALA 79 -8.387 -4.795 -3.805 591 HB1 ALA 79 HB1 ALA 79 -8.910 -6.915 -2.653 592 HB2 ALA 79 HB2 ALA 79 -9.612 -6.017 -1.304 593 HB3 ALA 79 HB3 ALA 79 -7.888 -5.878 -1.655 594 H GLY 80 H GLY 80 -11.407 -4.301 -2.010 595 HA2 GLY 80 HA2 GLY 80 -13.230 -3.817 -3.933 596 HA3 GLY 80 HA3 GLY 80 -13.112 -5.574 -4.010 597 H ASP 81 H ASP 81 -13.476 -6.766 -1.982 598 HA ASP 81 HA ASP 81 -15.688 -5.860 -0.389 599 HB2 ASP 81 HB2 ASP 81 -13.808 -8.237 0.003 600 HB3 ASP 81 HB3 ASP 81 -15.325 -7.989 0.870 601 H GLU 82 H GLU 82 -12.190 -6.102 0.087 602 HA GLU 82 HA GLU 82 -12.421 -4.948 2.810 603 HB2 GLU 82 HB2 GLU 82 -11.849 -7.439 2.663 604 HB3 GLU 82 HB3 GLU 82 -10.322 -6.977 1.922 605 HG2 GLU 82 HG2 GLU 82 -9.685 -5.756 3.959 606 HG3 GLU 82 HG3 GLU 82 -11.251 -6.131 4.688 607 H CYS 83 H CYS 83 -10.730 -3.567 3.490 608 HA CYS 83 HA CYS 83 -8.773 -2.581 1.524 609 HB2 CYS 83 HB2 CYS 83 -10.740 -0.707 2.917 610 HB3 CYS 83 HB3 CYS 83 -9.484 -0.247 1.766 611 HG CYS 83 HG CYS 83 -11.956 -0.003 0.517 612 H ALA 84 H ALA 84 -6.840 -2.026 2.521 613 HA ALA 84 HA ALA 84 -6.751 -1.840 5.478 614 HB1 ALA 84 HB1 ALA 84 -4.439 -2.138 3.523 615 HB2 ALA 84 HB2 ALA 84 -5.190 -3.448 4.429 616 HB3 ALA 84 HB3 ALA 84 -4.326 -2.171 5.284 617 H TYR 85 H TYR 85 -5.700 -0.052 6.513 618 HA TYR 85 HA TYR 85 -5.918 2.487 4.982 619 HB2 TYR 85 HB2 TYR 85 -6.581 2.023 7.924 620 HB3 TYR 85 HB3 TYR 85 -6.807 3.522 7.027 621 HD1 TYR 85 HD2 TYR 85 -8.685 3.743 5.400 622 HD2 TYR 85 HD1 TYR 85 -8.149 0.136 7.637 623 HE1 TYR 85 HE2 TYR 85 -10.954 3.021 4.787 624 HE2 TYR 85 HE1 TYR 85 -10.414 -0.582 7.013 625 HH TYR 85 HH TYR 85 -12.552 0.469 6.313 626 H PHE 86 H PHE 86 -4.191 3.807 5.004 627 HA PHE 86 HA PHE 86 -1.955 3.352 6.919 628 HB2 PHE 86 HB2 PHE 86 -1.790 4.228 3.989 629 HB3 PHE 86 HB3 PHE 86 -0.420 4.018 5.069 630 HD1 PHE 86 HD1 PHE 86 -3.271 2.063 3.562 631 HD2 PHE 86 HD2 PHE 86 0.744 1.961 5.034 632 HE1 PHE 86 HE1 PHE 86 -3.050 -0.267 2.810 633 HE2 PHE 86 HE2 PHE 86 0.952 -0.370 4.278 634 HZ PHE 86 HZ PHE 86 -0.941 -1.486 3.170 635 H THR 87 H THR 87 -2.070 5.099 8.335 636 HA THR 87 HA THR 87 -2.820 7.780 7.400 637 HB THR 87 HB THR 87 -2.203 6.865 10.251 638 HG1 THR 87 HG1 THR 87 -4.739 7.187 8.968 639 HG21 THR 87 HG21 THR 87 -3.440 8.889 10.944 640 HG22 THR 87 HG22 THR 87 -3.657 9.350 9.256 641 HG23 THR 87 HG23 THR 87 -2.039 9.332 9.962 642 H VAL 88 H VAL 88 -1.105 8.742 6.362 643 HA VAL 88 HA VAL 88 1.617 8.621 7.479 644 HB VAL 88 HB VAL 88 0.630 9.805 4.842 645 HG11 VAL 88 HG11 VAL 88 3.492 9.381 5.810 646 HG12 VAL 88 HG12 VAL 88 2.694 10.941 5.587 647 HG13 VAL 88 HG13 VAL 88 3.027 9.914 4.192 648 HG21 VAL 88 HG21 VAL 88 0.389 7.344 4.910 649 HG22 VAL 88 HG22 VAL 88 2.086 7.178 5.367 650 HG23 VAL 88 HG23 VAL 88 1.660 7.819 3.779 651 H THR 89 H THR 89 2.448 10.236 8.654 652 HA THR 89 HA THR 89 1.078 12.868 8.825 653 HB THR 89 HB THR 89 1.701 12.877 11.268 654 HG1 THR 89 HG1 THR 89 2.264 10.100 10.951 655 HG21 THR 89 HG21 THR 89 -0.018 10.505 10.457 656 HG22 THR 89 HG22 THR 89 -0.580 12.173 10.610 657 HG23 THR 89 HG23 THR 89 -0.026 11.292 12.037 658 H ILE 90 H ILE 90 2.421 14.452 8.099 659 HA ILE 90 HA ILE 90 5.302 14.032 7.885 660 HB ILE 90 HB ILE 90 3.732 16.518 7.074 661 HG12 ILE 90 HG12 ILE 90 2.764 14.543 5.943 662 HG13 ILE 90 HG13 ILE 90 3.598 15.574 4.792 663 HG21 ILE 90 HG21 ILE 90 6.448 15.494 6.143 664 HG22 ILE 90 HG22 ILE 90 6.164 16.893 7.180 665 HG23 ILE 90 HG23 ILE 90 5.616 16.918 5.504 666 HD11 ILE 90 HD11 ILE 90 3.983 13.245 4.322 667 HD12 ILE 90 HD12 ILE 90 4.640 12.989 5.938 668 HD13 ILE 90 HD13 ILE 90 5.493 14.026 4.790 Start of MODEL 2 1 H HIS 1 H1 HIS 1 -16.647 -20.194 -1.975 2 HA HIS 1 HA HIS 1 -16.120 -19.178 -4.713 3 HB2 HIS 1 HB2 HIS 1 -18.187 -18.216 -3.702 4 HB3 HIS 1 HB3 HIS 1 -17.269 -17.730 -2.282 5 HD1 HIS 1 HD1 HIS 1 -17.675 -16.910 -5.952 6 HD2 HIS 1 HD2 HIS 1 -15.944 -15.279 -2.540 7 HE1 HIS 1 HE1 HIS 1 -16.965 -14.593 -6.594 8 HE2 HIS 1 HE2 HIS 1 -16.101 -13.569 -4.476 9 H MET 2 H MET 2 -14.235 -17.995 -4.962 10 HA MET 2 HA MET 2 -12.385 -17.729 -2.649 11 HB2 MET 2 HB2 MET 2 -11.744 -17.899 -5.627 12 HB3 MET 2 HB3 MET 2 -10.555 -17.717 -4.342 13 HG2 MET 2 HG2 MET 2 -11.070 -19.924 -3.489 14 HG3 MET 2 HG3 MET 2 -12.404 -20.096 -4.634 15 HE1 MET 2 HE1 MET 2 -10.154 -22.359 -4.386 16 HE2 MET 2 HE2 MET 2 -9.859 -22.683 -6.095 17 HE3 MET 2 HE3 MET 2 -11.504 -22.413 -5.521 18 HA PRO 3 HA PRO 3 -13.428 -13.302 -3.684 19 HB2 PRO 3 HB2 PRO 3 -13.372 -12.322 -1.163 20 HB3 PRO 3 HB3 PRO 3 -14.733 -13.304 -1.730 21 HG2 PRO 3 HG2 PRO 3 -12.343 -14.152 -0.088 22 HG3 PRO 3 HG3 PRO 3 -14.064 -14.491 0.198 23 HD2 PRO 3 HD2 PRO 3 -12.381 -16.278 -1.017 24 HD3 PRO 3 HD3 PRO 3 -14.118 -16.202 -1.379 25 H VAL 4 H VAL 4 -12.177 -11.207 -2.445 26 HA VAL 4 HA VAL 4 -9.266 -11.770 -2.592 27 HB VAL 4 HB VAL 4 -9.782 -10.581 -4.594 28 HG11 VAL 4 HG11 VAL 4 -11.207 -8.465 -2.940 29 HG12 VAL 4 HG12 VAL 4 -11.958 -9.633 -4.028 30 HG13 VAL 4 HG13 VAL 4 -10.902 -8.379 -4.679 31 HG21 VAL 4 HG21 VAL 4 -7.685 -9.889 -3.504 32 HG22 VAL 4 HG22 VAL 4 -8.530 -8.623 -2.613 33 HG23 VAL 4 HG23 VAL 4 -8.397 -8.524 -4.368 34 H HIS 5 H HIS 5 -9.045 -12.057 -0.433 35 HA HIS 5 HA HIS 5 -9.557 -9.919 1.474 36 HB2 HIS 5 HB2 HIS 5 -8.342 -12.698 1.719 37 HB3 HIS 5 HB3 HIS 5 -8.328 -11.555 3.059 38 HD1 HIS 5 HD1 HIS 5 -10.061 -12.238 4.650 39 HD2 HIS 5 HD2 HIS 5 -11.359 -12.642 0.729 40 HE1 HIS 5 HE1 HIS 5 -12.435 -13.029 4.808 41 HE2 HIS 5 HE2 HIS 5 -13.254 -13.025 2.437 42 H ILE 6 H ILE 6 -7.532 -9.672 3.087 43 HA ILE 6 HA ILE 6 -5.094 -8.962 1.544 44 HB ILE 6 HB ILE 6 -6.357 -7.351 3.819 45 HG12 ILE 6 HG12 ILE 6 -6.138 -6.727 0.842 46 HG13 ILE 6 HG13 ILE 6 -7.619 -7.097 1.716 47 HG21 ILE 6 HG21 ILE 6 -4.587 -5.670 3.396 48 HG22 ILE 6 HG22 ILE 6 -3.857 -6.736 2.195 49 HG23 ILE 6 HG23 ILE 6 -3.896 -7.216 3.892 50 HD11 ILE 6 HD11 ILE 6 -5.899 -4.646 2.067 51 HD12 ILE 6 HD12 ILE 6 -7.366 -5.010 2.983 52 HD13 ILE 6 HD13 ILE 6 -7.453 -4.748 1.242 53 H VAL 7 H VAL 7 -3.410 -10.165 2.266 54 HA VAL 7 HA VAL 7 -3.407 -11.359 4.939 55 HB VAL 7 HB VAL 7 -1.317 -12.522 4.235 56 HG11 VAL 7 HG11 VAL 7 -3.613 -12.805 2.259 57 HG12 VAL 7 HG12 VAL 7 -3.483 -13.598 3.829 58 HG13 VAL 7 HG13 VAL 7 -2.350 -14.007 2.541 59 HG21 VAL 7 HG21 VAL 7 -1.693 -11.122 1.549 60 HG22 VAL 7 HG22 VAL 7 -0.504 -12.384 1.894 61 HG23 VAL 7 HG23 VAL 7 -0.386 -10.818 2.698 62 H ASP 8 H ASP 8 -1.898 -8.705 3.265 63 HA ASP 8 HA ASP 8 -0.580 -7.775 5.697 64 HB2 ASP 8 HB2 ASP 8 1.184 -9.086 4.610 65 HB3 ASP 8 HB3 ASP 8 0.903 -8.263 3.077 66 HA PRO 9 HA PRO 9 0.232 -5.889 6.541 67 HB2 PRO 9 HB2 PRO 9 -0.771 -3.674 7.750 68 HB3 PRO 9 HB3 PRO 9 0.536 -3.574 6.558 69 HG2 PRO 9 HG2 PRO 9 -2.429 -3.132 6.163 70 HG3 PRO 9 HG3 PRO 9 -1.071 -2.122 5.616 71 HD2 PRO 9 HD2 PRO 9 -2.315 -3.905 3.968 72 HD3 PRO 9 HD3 PRO 9 -0.584 -3.524 3.812 73 H ARG 10 H ARG 10 -0.496 -6.483 8.621 74 HA ARG 10 HA ARG 10 -3.082 -7.784 8.711 75 HB2 ARG 10 HB2 ARG 10 -0.804 -7.697 10.735 76 HB3 ARG 10 HB3 ARG 10 -2.285 -8.608 10.984 77 HG2 ARG 10 HG2 ARG 10 -0.706 -10.201 10.233 78 HG3 ARG 10 HG3 ARG 10 -1.737 -9.882 8.842 79 HD2 ARG 10 HD2 ARG 10 0.057 -8.288 8.007 80 HD3 ARG 10 HD3 ARG 10 1.091 -8.877 9.317 81 HE ARG 10 HE ARG 10 0.026 -11.004 7.737 82 HH11 ARG 10 HH11 ARG 10 2.606 -8.679 7.753 83 HH12 ARG 10 HH12 ARG 10 3.531 -9.584 6.612 84 HH21 ARG 10 HH21 ARG 10 1.220 -12.096 6.297 85 HH22 ARG 10 HH22 ARG 10 2.763 -11.497 5.804 86 H GLU 11 H GLU 11 -2.373 -4.666 9.205 87 HA GLU 11 HA GLU 11 -4.793 -4.061 10.609 88 HB2 GLU 11 HB2 GLU 11 -3.845 -2.907 12.546 89 HB3 GLU 11 HB3 GLU 11 -3.290 -4.578 12.552 90 HG2 GLU 11 HG2 GLU 11 -1.094 -3.941 11.787 91 HG3 GLU 11 HG3 GLU 11 -1.613 -2.284 11.476 92 H HIS 12 H HIS 12 -4.792 -1.565 11.126 93 HA HIS 12 HA HIS 12 -4.116 0.046 8.894 94 HB2 HIS 12 HB2 HIS 12 -4.697 1.970 10.543 95 HB3 HIS 12 HB3 HIS 12 -5.953 0.803 10.174 96 HD1 HIS 12 HD1 HIS 12 -3.487 -0.385 12.708 97 HD2 HIS 12 HD2 HIS 12 -7.130 1.625 12.653 98 HE1 HIS 12 HE1 HIS 12 -4.388 -0.556 15.039 99 HE2 HIS 12 HE2 HIS 12 -6.497 0.805 15.020 100 H VAL 13 H VAL 13 -2.155 0.821 8.318 101 HA VAL 13 HA VAL 13 0.071 0.855 10.246 102 HB VAL 13 HB VAL 13 0.130 1.326 7.233 103 HG11 VAL 13 HG11 VAL 13 2.456 0.921 9.165 104 HG12 VAL 13 HG12 VAL 13 2.038 2.430 8.350 105 HG13 VAL 13 HG13 VAL 13 2.587 1.045 7.406 106 HG21 VAL 13 HG21 VAL 13 1.060 -0.958 7.079 107 HG22 VAL 13 HG22 VAL 13 -0.557 -0.969 7.785 108 HG23 VAL 13 HG23 VAL 13 0.859 -1.162 8.822 109 H PHE 14 H PHE 14 0.188 2.676 11.437 110 HA PHE 14 HA PHE 14 -0.173 5.337 10.291 111 HB2 PHE 14 HB2 PHE 14 -0.852 4.874 12.656 112 HB3 PHE 14 HB3 PHE 14 0.819 4.508 13.064 113 HD1 PHE 14 HD1 PHE 14 -1.562 7.204 12.202 114 HD2 PHE 14 HD2 PHE 14 2.470 6.326 13.340 115 HE1 PHE 14 HE1 PHE 14 -1.174 9.581 12.688 116 HE2 PHE 14 HE2 PHE 14 2.845 8.710 13.828 117 HZ PHE 14 HZ PHE 14 1.025 10.337 13.503 118 H VAL 15 H VAL 15 1.459 6.404 9.290 119 HA VAL 15 HA VAL 15 4.266 5.516 9.658 120 HB VAL 15 HB VAL 15 3.061 6.921 7.226 121 HG11 VAL 15 HG11 VAL 15 5.854 5.771 7.640 122 HG12 VAL 15 HG12 VAL 15 5.440 7.483 7.522 123 HG13 VAL 15 HG13 VAL 15 5.235 6.430 6.124 124 HG21 VAL 15 HG21 VAL 15 3.858 4.000 7.557 125 HG22 VAL 15 HG22 VAL 15 3.347 4.752 6.044 126 HG23 VAL 15 HG23 VAL 15 2.213 4.619 7.389 127 H HIS 16 H HIS 16 5.216 6.917 11.088 128 HA HIS 16 HA HIS 16 4.916 9.787 10.985 129 HB2 HIS 16 HB2 HIS 16 5.624 8.662 13.080 130 HB3 HIS 16 HB3 HIS 16 7.064 8.041 12.285 131 HD1 HIS 16 HD1 HIS 16 9.115 9.460 12.471 132 HD2 HIS 16 HD2 HIS 16 5.654 11.608 13.309 133 HE1 HIS 16 HE1 HIS 16 9.892 11.713 13.238 134 HE2 HIS 16 HE2 HIS 16 7.794 13.047 13.551 135 H ALA 17 H ALA 17 5.734 10.963 9.298 136 HA ALA 17 HA ALA 17 8.026 9.895 7.727 137 HB1 ALA 17 HB1 ALA 17 5.601 11.405 6.703 138 HB2 ALA 17 HB2 ALA 17 5.874 9.669 6.548 139 HB3 ALA 17 HB3 ALA 17 6.942 10.807 5.722 140 H ILE 18 H ILE 18 9.396 11.381 6.722 141 HA ILE 18 HA ILE 18 9.327 14.219 7.604 142 HB ILE 18 HB ILE 18 11.765 12.506 6.928 143 HG12 ILE 18 HG12 ILE 18 10.830 11.883 9.134 144 HG13 ILE 18 HG13 ILE 18 12.398 12.657 9.314 145 HG21 ILE 18 HG21 ILE 18 12.150 14.825 6.270 146 HG22 ILE 18 HG22 ILE 18 13.151 14.413 7.663 147 HG23 ILE 18 HG23 ILE 18 11.692 15.384 7.881 148 HD11 ILE 18 HD11 ILE 18 10.826 13.370 11.028 149 HD12 ILE 18 HD12 ILE 18 9.720 13.970 9.793 150 HD13 ILE 18 HD13 ILE 18 11.301 14.728 10.008 151 H THR 19 H THR 19 9.745 15.765 5.971 152 HA THR 19 HA THR 19 8.486 15.272 3.526 153 HB THR 19 HB THR 19 10.256 17.643 4.258 154 HG1 THR 19 HG1 THR 19 8.352 17.141 5.614 155 HG21 THR 19 HG21 THR 19 8.117 17.421 2.098 156 HG22 THR 19 HG22 THR 19 9.852 17.592 1.822 157 HG23 THR 19 HG23 THR 19 8.946 18.910 2.567 158 H SER 20 H SER 20 11.962 15.606 4.197 159 HA SER 20 HA SER 20 12.719 15.280 1.382 160 HB2 SER 20 HB2 SER 20 13.864 16.951 2.848 161 HB3 SER 20 HB3 SER 20 14.486 15.632 3.839 162 HG SER 20 HG SER 20 15.732 14.946 2.137 163 H GLU 21 H GLU 21 11.731 13.045 3.499 164 HA GLU 21 HA GLU 21 13.771 10.992 2.833 165 HB2 GLU 21 HB2 GLU 21 11.645 11.011 5.022 166 HB3 GLU 21 HB3 GLU 21 12.712 9.648 4.683 167 HG2 GLU 21 HG2 GLU 21 13.607 12.410 5.577 168 HG3 GLU 21 HG3 GLU 21 13.454 11.000 6.621 169 H CYS 22 H CYS 22 12.986 8.820 2.332 170 HA CYS 22 HA CYS 22 10.683 8.863 0.498 171 HB2 CYS 22 HB2 CYS 22 11.662 6.804 -0.456 172 HB3 CYS 22 HB3 CYS 22 12.841 8.111 -0.425 173 HG CYS 22 HG CYS 22 12.956 6.083 2.252 174 H VAL 23 H VAL 23 8.786 7.960 1.076 175 HA VAL 23 HA VAL 23 8.704 5.895 3.210 176 HB VAL 23 HB VAL 23 6.566 7.871 2.293 177 HG11 VAL 23 HG11 VAL 23 5.437 5.740 2.759 178 HG12 VAL 23 HG12 VAL 23 5.076 6.899 4.038 179 HG13 VAL 23 HG13 VAL 23 6.255 5.617 4.320 180 HG21 VAL 23 HG21 VAL 23 8.266 8.836 3.794 181 HG22 VAL 23 HG22 VAL 23 7.982 7.552 4.971 182 HG23 VAL 23 HG23 VAL 23 6.709 8.722 4.619 183 H MET 24 H MET 24 8.433 3.881 2.501 184 HA MET 24 HA MET 24 6.922 3.290 0.035 185 HB2 MET 24 HB2 MET 24 9.157 2.242 0.254 186 HB3 MET 24 HB3 MET 24 8.676 1.497 1.772 187 HG2 MET 24 HG2 MET 24 6.938 0.199 0.533 188 HG3 MET 24 HG3 MET 24 7.553 0.884 -0.973 189 HE1 MET 24 HE1 MET 24 11.194 -0.636 -1.083 190 HE2 MET 24 HE2 MET 24 10.732 0.923 -0.401 191 HE3 MET 24 HE3 MET 24 10.020 0.380 -1.921 192 H LEU 25 H LEU 25 4.787 3.334 0.549 193 HA LEU 25 HA LEU 25 3.608 2.102 2.885 194 HB2 LEU 25 HB2 LEU 25 2.357 3.033 0.265 195 HB3 LEU 25 HB3 LEU 25 1.463 2.605 1.720 196 HG LEU 25 HG LEU 25 3.442 4.916 1.560 197 HD11 LEU 25 HD11 LEU 25 0.420 5.026 1.361 198 HD12 LEU 25 HD12 LEU 25 1.569 5.348 0.059 199 HD13 LEU 25 HD13 LEU 25 1.510 6.413 1.461 200 HD21 LEU 25 HD21 LEU 25 2.425 5.650 3.681 201 HD22 LEU 25 HD22 LEU 25 3.148 4.053 3.840 202 HD23 LEU 25 HD23 LEU 25 1.394 4.215 3.700 203 H ALA 26 H ALA 26 3.964 -0.089 3.000 204 HA ALA 26 HA ALA 26 3.961 -1.775 0.602 205 HB1 ALA 26 HB1 ALA 26 4.683 -2.461 3.470 206 HB2 ALA 26 HB2 ALA 26 5.816 -1.957 2.218 207 HB3 ALA 26 HB3 ALA 26 4.949 -3.483 2.056 208 H CYS 27 H CYS 27 2.281 -3.032 0.024 209 HA CYS 27 HA CYS 27 0.459 -4.205 2.007 210 HB2 CYS 27 HB2 CYS 27 -0.691 -2.142 1.294 211 HB3 CYS 27 HB3 CYS 27 -0.538 -2.617 -0.395 212 HG CYS 27 HG CYS 27 -2.151 -4.726 1.714 213 H GLU 28 H GLU 28 0.215 -6.285 1.581 214 HA GLU 28 HA GLU 28 0.414 -7.366 -1.183 215 HB2 GLU 28 HB2 GLU 28 2.402 -7.886 0.244 216 HB3 GLU 28 HB3 GLU 28 1.345 -8.606 1.447 217 HG2 GLU 28 HG2 GLU 28 0.657 -10.287 -0.328 218 HG3 GLU 28 HG3 GLU 28 1.954 -9.634 -1.333 219 H VAL 29 H VAL 29 -1.597 -8.150 -1.774 220 HA VAL 29 HA VAL 29 -3.583 -8.828 0.281 221 HB VAL 29 HB VAL 29 -5.232 -8.928 -1.563 222 HG11 VAL 29 HG11 VAL 29 -4.817 -6.775 -0.452 223 HG12 VAL 29 HG12 VAL 29 -5.224 -6.525 -2.148 224 HG13 VAL 29 HG13 VAL 29 -3.546 -6.391 -1.616 225 HG21 VAL 29 HG21 VAL 29 -4.611 -8.290 -3.888 226 HG22 VAL 29 HG22 VAL 29 -3.807 -9.777 -3.385 227 HG23 VAL 29 HG23 VAL 29 -2.905 -8.262 -3.423 228 H ASP 30 H ASP 30 -5.037 -10.741 -0.199 229 HA ASP 30 HA ASP 30 -3.476 -13.157 -0.238 230 HB2 ASP 30 HB2 ASP 30 -5.348 -12.868 1.326 231 HB3 ASP 30 HB3 ASP 30 -6.472 -12.663 -0.008 232 H ARG 31 H ARG 31 -5.804 -11.613 -2.465 233 HA ARG 31 HA ARG 31 -5.713 -13.945 -4.281 234 HB2 ARG 31 HB2 ARG 31 -7.950 -12.903 -3.463 235 HB3 ARG 31 HB3 ARG 31 -7.603 -11.586 -4.570 236 HG2 ARG 31 HG2 ARG 31 -9.072 -13.066 -5.729 237 HG3 ARG 31 HG3 ARG 31 -7.472 -13.330 -6.437 238 HD2 ARG 31 HD2 ARG 31 -7.217 -15.273 -4.798 239 HD3 ARG 31 HD3 ARG 31 -8.932 -15.072 -4.425 240 HE ARG 31 HE ARG 31 -8.794 -15.333 -7.157 241 HH11 ARG 31 HH11 ARG 31 -7.830 -17.291 -4.460 242 HH12 ARG 31 HH12 ARG 31 -8.004 -18.766 -5.338 243 HH21 ARG 31 HH21 ARG 31 -8.923 -17.235 -8.269 244 HH22 ARG 31 HH22 ARG 31 -8.587 -18.734 -7.470 245 H GLU 32 H GLU 32 -4.206 -13.811 -5.790 246 HA GLU 32 HA GLU 32 -2.874 -11.483 -6.690 247 HB2 GLU 32 HB2 GLU 32 -1.812 -13.671 -6.730 248 HB3 GLU 32 HB3 GLU 32 -3.030 -14.301 -7.833 249 HG2 GLU 32 HG2 GLU 32 -2.204 -12.838 -9.616 250 HG3 GLU 32 HG3 GLU 32 -1.040 -12.116 -8.514 251 H ASP 33 H ASP 33 -5.652 -13.261 -8.005 252 HA ASP 33 HA ASP 33 -5.743 -12.365 -10.639 253 HB2 ASP 33 HB2 ASP 33 -8.124 -13.022 -8.857 254 HB3 ASP 33 HB3 ASP 33 -8.118 -13.038 -10.619 255 H ALA 34 H ALA 34 -6.792 -10.642 -7.750 256 HA ALA 34 HA ALA 34 -8.340 -8.652 -9.231 257 HB1 ALA 34 HB1 ALA 34 -8.877 -7.728 -7.022 258 HB2 ALA 34 HB2 ALA 34 -7.729 -8.838 -6.264 259 HB3 ALA 34 HB3 ALA 34 -9.169 -9.470 -7.065 260 HA PRO 35 HA PRO 35 -4.705 -5.831 -9.283 261 HB2 PRO 35 HB2 PRO 35 -6.202 -3.991 -10.964 262 HB3 PRO 35 HB3 PRO 35 -4.893 -5.070 -11.446 263 HG2 PRO 35 HG2 PRO 35 -7.538 -5.353 -12.253 264 HG3 PRO 35 HG3 PRO 35 -6.340 -6.659 -12.257 265 HD2 PRO 35 HD2 PRO 35 -8.497 -6.071 -10.239 266 HD3 PRO 35 HD3 PRO 35 -7.925 -7.637 -10.864 267 H VAL 36 H VAL 36 -5.078 -5.367 -7.018 268 HA VAL 36 HA VAL 36 -7.281 -3.764 -6.130 269 HB VAL 36 HB VAL 36 -6.460 -3.999 -3.904 270 HG11 VAL 36 HG11 VAL 36 -7.328 -6.082 -4.890 271 HG12 VAL 36 HG12 VAL 36 -6.073 -6.438 -3.705 272 HG13 VAL 36 HG13 VAL 36 -5.707 -6.529 -5.429 273 HG21 VAL 36 HG21 VAL 36 -4.188 -4.797 -3.309 274 HG22 VAL 36 HG22 VAL 36 -4.134 -3.269 -4.185 275 HG23 VAL 36 HG23 VAL 36 -3.735 -4.772 -5.016 276 H ARG 37 H ARG 37 -7.045 -1.685 -4.901 277 HA ARG 37 HA ARG 37 -5.344 0.128 -6.525 278 HB2 ARG 37 HB2 ARG 37 -7.320 1.654 -6.756 279 HB3 ARG 37 HB3 ARG 37 -7.514 0.125 -7.582 280 HG2 ARG 37 HG2 ARG 37 -8.704 0.577 -4.843 281 HG3 ARG 37 HG3 ARG 37 -9.539 1.086 -6.308 282 HD2 ARG 37 HD2 ARG 37 -8.705 -1.759 -5.632 283 HD3 ARG 37 HD3 ARG 37 -10.344 -1.104 -5.531 284 HE ARG 37 HE ARG 37 -9.651 -0.653 -8.110 285 HH11 ARG 37 HH11 ARG 37 -9.700 -3.552 -6.200 286 HH12 ARG 37 HH12 ARG 37 -9.980 -4.560 -7.575 287 HH21 ARG 37 HH21 ARG 37 -9.991 -1.961 -9.821 288 HH22 ARG 37 HH22 ARG 37 -10.124 -3.669 -9.604 289 H TRP 38 H TRP 38 -4.576 1.912 -5.602 290 HA TRP 38 HA TRP 38 -4.960 2.446 -2.729 291 HB2 TRP 38 HB2 TRP 38 -2.961 3.476 -4.797 292 HB3 TRP 38 HB3 TRP 38 -3.015 4.050 -3.134 293 HD1 TRP 38 HD1 TRP 38 -2.044 0.910 -5.180 294 HE1 TRP 38 HE1 TRP 38 -0.549 -0.564 -3.693 295 HE3 TRP 38 HE3 TRP 38 -2.499 3.476 -0.790 296 HZ2 TRP 38 HZ2 TRP 38 0.317 -0.635 -1.022 297 HZ3 TRP 38 HZ3 TRP 38 -1.313 2.645 1.190 298 HH2 TRP 38 HH2 TRP 38 0.076 0.630 1.079 299 H TYR 39 H TYR 39 -6.058 4.273 -2.011 300 HA TYR 39 HA TYR 39 -6.791 6.399 -3.969 301 HB2 TYR 39 HB2 TYR 39 -8.346 5.259 -1.612 302 HB3 TYR 39 HB3 TYR 39 -8.703 6.865 -2.233 303 HD1 TYR 39 HD1 TYR 39 -8.797 3.233 -3.048 304 HD2 TYR 39 HD2 TYR 39 -9.839 7.172 -4.347 305 HE1 TYR 39 HE1 TYR 39 -10.241 2.289 -4.791 306 HE2 TYR 39 HE2 TYR 39 -11.277 6.219 -6.091 307 HH TYR 39 HH TYR 39 -11.300 3.981 -7.397 308 H LYS 40 H LYS 40 -5.925 8.367 -3.586 309 HA LYS 40 HA LYS 40 -4.668 8.949 -0.987 310 HB2 LYS 40 HB2 LYS 40 -3.565 9.334 -3.392 311 HB3 LYS 40 HB3 LYS 40 -4.484 10.829 -3.370 312 HG2 LYS 40 HG2 LYS 40 -2.511 10.003 -1.221 313 HG3 LYS 40 HG3 LYS 40 -2.088 11.021 -2.594 314 HD2 LYS 40 HD2 LYS 40 -3.347 12.849 -1.781 315 HD3 LYS 40 HD3 LYS 40 -4.336 11.839 -0.731 316 HE2 LYS 40 HE2 LYS 40 -2.439 11.487 0.760 317 HE3 LYS 40 HE3 LYS 40 -1.398 12.422 -0.314 318 HZ1 LYS 40 HZ1 LYS 40 -2.164 13.723 1.566 319 HZ2 LYS 40 HZ2 LYS 40 -3.778 13.474 1.114 320 HZ3 LYS 40 HZ3 LYS 40 -2.742 14.365 0.113 321 H ASP 41 H ASP 41 -6.205 9.624 0.410 322 HA ASP 41 HA ASP 41 -7.961 10.637 1.414 323 HB2 ASP 41 HB2 ASP 41 -7.586 12.888 -0.602 324 HB3 ASP 41 HB3 ASP 41 -8.371 13.004 0.970 325 H GLY 42 H GLY 42 -8.443 8.867 -0.927 326 HA2 GLY 42 HA2 GLY 42 -10.302 7.996 -1.992 327 HA3 GLY 42 HA3 GLY 42 -11.262 9.323 -1.367 328 H GLN 43 H GLN 43 -8.615 10.646 -2.918 329 HA GLN 43 HA GLN 43 -10.164 11.530 -5.209 330 HB2 GLN 43 HB2 GLN 43 -7.259 12.151 -4.520 331 HB3 GLN 43 HB3 GLN 43 -8.292 13.042 -5.638 332 HG2 GLN 43 HG2 GLN 43 -9.671 13.837 -3.803 333 HG3 GLN 43 HG3 GLN 43 -8.783 12.838 -2.651 334 HE21 GLN 43 HE21 GLN 43 -6.610 13.429 -2.128 335 HE22 GLN 43 HE22 GLN 43 -6.033 15.034 -2.400 336 H GLU 44 H GLU 44 -8.577 8.745 -4.735 337 HA GLU 44 HA GLU 44 -7.774 7.047 -5.959 338 HB2 GLU 44 HB2 GLU 44 -9.509 7.653 -7.642 339 HB3 GLU 44 HB3 GLU 44 -8.372 8.726 -8.437 340 HG2 GLU 44 HG2 GLU 44 -8.479 6.723 -9.727 341 HG3 GLU 44 HG3 GLU 44 -6.915 6.728 -8.917 342 H VAL 45 H VAL 45 -5.701 6.438 -6.054 343 HA VAL 45 HA VAL 45 -3.565 8.362 -6.519 344 HB VAL 45 HB VAL 45 -3.527 5.395 -5.829 345 HG11 VAL 45 HG11 VAL 45 -1.094 7.179 -6.245 346 HG12 VAL 45 HG12 VAL 45 -1.557 5.796 -7.239 347 HG13 VAL 45 HG13 VAL 45 -1.066 5.549 -5.564 348 HG21 VAL 45 HG21 VAL 45 -2.684 7.844 -4.232 349 HG22 VAL 45 HG22 VAL 45 -2.594 6.170 -3.676 350 HG23 VAL 45 HG23 VAL 45 -4.164 6.908 -3.995 351 H GLU 46 H GLU 46 -2.974 8.884 -8.492 352 HA GLU 46 HA GLU 46 -2.897 6.875 -10.677 353 HB2 GLU 46 HB2 GLU 46 -2.879 9.929 -10.902 354 HB3 GLU 46 HB3 GLU 46 -2.991 8.775 -12.234 355 HG2 GLU 46 HG2 GLU 46 -5.190 8.034 -11.417 356 HG3 GLU 46 HG3 GLU 46 -5.084 9.157 -10.064 357 H GLU 47 H GLU 47 -0.974 6.875 -12.032 358 HA GLU 47 HA GLU 47 1.436 6.946 -10.511 359 HB2 GLU 47 HB2 GLU 47 1.156 6.578 -13.527 360 HB3 GLU 47 HB3 GLU 47 2.569 6.184 -12.562 361 HG2 GLU 47 HG2 GLU 47 1.592 4.101 -12.920 362 HG3 GLU 47 HG3 GLU 47 1.012 4.521 -11.311 363 H SER 48 H SER 48 1.928 8.999 -9.847 364 HA SER 48 HA SER 48 2.228 11.247 -11.694 365 HB2 SER 48 HB2 SER 48 1.267 11.599 -9.418 366 HB3 SER 48 HB3 SER 48 2.779 11.053 -8.694 367 HG SER 48 HG SER 48 2.182 13.486 -9.267 368 H ASP 49 H ASP 49 4.352 12.626 -11.055 369 HA ASP 49 HA ASP 49 6.657 11.454 -12.127 370 HB2 ASP 49 HB2 ASP 49 6.546 13.811 -10.185 371 HB3 ASP 49 HB3 ASP 49 7.822 13.475 -11.356 372 H PHE 50 H PHE 50 5.731 11.980 -8.739 373 HA PHE 50 HA PHE 50 8.057 10.556 -7.691 374 HB2 PHE 50 HB2 PHE 50 5.740 11.910 -6.243 375 HB3 PHE 50 HB3 PHE 50 7.151 11.203 -5.456 376 HD1 PHE 50 HD1 PHE 50 9.392 12.246 -5.713 377 HD2 PHE 50 HD2 PHE 50 5.889 14.084 -7.344 378 HE1 PHE 50 HE1 PHE 50 10.623 14.351 -6.006 379 HE2 PHE 50 HE2 PHE 50 7.133 16.190 -7.628 380 HZ PHE 50 HZ PHE 50 9.502 16.321 -6.966 381 H VAL 51 H VAL 51 4.507 10.095 -7.849 382 HA VAL 51 HA VAL 51 4.460 7.776 -6.186 383 HB VAL 51 HB VAL 51 2.362 8.624 -8.242 384 HG11 VAL 51 HG11 VAL 51 0.779 7.299 -6.874 385 HG12 VAL 51 HG12 VAL 51 2.103 6.783 -5.828 386 HG13 VAL 51 HG13 VAL 51 2.074 6.293 -7.524 387 HG21 VAL 51 HG21 VAL 51 1.186 9.763 -6.391 388 HG22 VAL 51 HG22 VAL 51 2.791 10.454 -6.634 389 HG23 VAL 51 HG23 VAL 51 2.501 9.354 -5.286 390 H VAL 52 H VAL 52 5.835 6.176 -6.880 391 HA VAL 52 HA VAL 52 5.286 4.894 -9.496 392 HB VAL 52 HB VAL 52 7.503 3.725 -9.214 393 HG11 VAL 52 HG11 VAL 52 7.310 5.722 -10.644 394 HG12 VAL 52 HG12 VAL 52 8.892 5.665 -9.866 395 HG13 VAL 52 HG13 VAL 52 7.652 6.769 -9.262 396 HG21 VAL 52 HG21 VAL 52 7.760 3.891 -6.769 397 HG22 VAL 52 HG22 VAL 52 7.912 5.646 -6.882 398 HG23 VAL 52 HG23 VAL 52 9.155 4.605 -7.584 399 H LEU 53 H LEU 53 4.129 3.124 -9.455 400 HA LEU 53 HA LEU 53 3.526 1.729 -6.933 401 HB2 LEU 53 HB2 LEU 53 2.198 1.537 -9.671 402 HB3 LEU 53 HB3 LEU 53 1.631 0.746 -8.205 403 HG LEU 53 HG LEU 53 1.750 3.765 -8.632 404 HD11 LEU 53 HD11 LEU 53 -0.699 3.692 -8.757 405 HD12 LEU 53 HD12 LEU 53 -0.669 1.930 -8.652 406 HD13 LEU 53 HD13 LEU 53 0.038 2.744 -10.049 407 HD21 LEU 53 HD21 LEU 53 2.050 3.181 -6.265 408 HD22 LEU 53 HD22 LEU 53 0.591 2.187 -6.299 409 HD23 LEU 53 HD23 LEU 53 0.477 3.936 -6.522 410 H GLU 54 H GLU 54 4.707 -0.065 -6.476 411 HA GLU 54 HA GLU 54 5.902 -1.676 -8.638 412 HB2 GLU 54 HB2 GLU 54 6.338 -1.859 -5.625 413 HB3 GLU 54 HB3 GLU 54 7.199 -2.794 -6.845 414 HG2 GLU 54 HG2 GLU 54 8.060 -0.596 -7.769 415 HG3 GLU 54 HG3 GLU 54 7.356 0.195 -6.358 416 H ASN 55 H ASN 55 4.888 -3.459 -9.324 417 HA ASN 55 HA ASN 55 3.026 -4.880 -7.541 418 HB2 ASN 55 HB2 ASN 55 1.515 -5.145 -9.652 419 HB3 ASN 55 HB3 ASN 55 1.464 -3.660 -8.722 420 HD21 ASN 55 HD21 ASN 55 3.978 -4.453 -11.149 421 HD22 ASN 55 HD22 ASN 55 3.505 -3.209 -12.235 422 H GLU 56 H GLU 56 3.700 -6.857 -7.262 423 HA GLU 56 HA GLU 56 4.530 -8.547 -9.555 424 HB2 GLU 56 HB2 GLU 56 6.525 -8.088 -8.201 425 HB3 GLU 56 HB3 GLU 56 5.683 -8.530 -6.724 426 HG2 GLU 56 HG2 GLU 56 7.206 -10.299 -7.349 427 HG3 GLU 56 HG3 GLU 56 5.549 -10.874 -7.502 428 H GLY 57 H GLY 57 2.493 -9.456 -9.838 429 HA2 GLY 57 HA2 GLY 57 0.645 -10.762 -9.486 430 HA3 GLY 57 HA3 GLY 57 1.591 -11.601 -8.272 431 HA PRO 58 HA PRO 58 -1.535 -9.769 -5.446 432 HB2 PRO 58 HB2 PRO 58 -0.830 -11.015 -3.159 433 HB3 PRO 58 HB3 PRO 58 -1.586 -11.905 -4.493 434 HG2 PRO 58 HG2 PRO 58 1.345 -11.695 -3.772 435 HG3 PRO 58 HG3 PRO 58 0.397 -13.148 -4.160 436 HD2 PRO 58 HD2 PRO 58 1.975 -11.874 -6.006 437 HD3 PRO 58 HD3 PRO 58 0.496 -12.755 -6.453 438 H HIS 59 H HIS 59 1.884 -9.283 -5.322 439 HA HIS 59 HA HIS 59 1.985 -7.502 -3.028 440 HB2 HIS 59 HB2 HIS 59 4.008 -7.932 -5.280 441 HB3 HIS 59 HB3 HIS 59 4.308 -7.037 -3.798 442 HD1 HIS 59 HD1 HIS 59 5.218 -8.337 -1.882 443 HD2 HIS 59 HD2 HIS 59 3.606 -10.806 -4.802 444 HE1 HIS 59 HE1 HIS 59 5.858 -10.664 -1.219 445 HE2 HIS 59 HE2 HIS 59 5.007 -12.126 -3.080 446 H ARG 60 H ARG 60 0.958 -5.547 -3.163 447 HA ARG 60 HA ARG 60 1.247 -3.844 -5.583 448 HB2 ARG 60 HB2 ARG 60 -1.300 -4.390 -3.998 449 HB3 ARG 60 HB3 ARG 60 -1.154 -3.101 -5.183 450 HG2 ARG 60 HG2 ARG 60 -0.685 -5.998 -5.946 451 HG3 ARG 60 HG3 ARG 60 -2.311 -5.316 -5.879 452 HD2 ARG 60 HD2 ARG 60 -0.039 -4.259 -7.602 453 HD3 ARG 60 HD3 ARG 60 -1.367 -5.276 -8.174 454 HE ARG 60 HE ARG 60 -2.509 -3.057 -6.944 455 HH11 ARG 60 HH11 ARG 60 -0.579 -3.625 -9.776 456 HH12 ARG 60 HH12 ARG 60 -1.179 -2.218 -10.568 457 HH21 ARG 60 HH21 ARG 60 -3.251 -1.297 -8.007 458 HH22 ARG 60 HH22 ARG 60 -2.671 -0.931 -9.591 459 H ARG 61 H ARG 61 2.722 -2.398 -4.644 460 HA ARG 61 HA ARG 61 1.871 -1.010 -2.155 461 HB2 ARG 61 HB2 ARG 61 4.207 -0.785 -1.490 462 HB3 ARG 61 HB3 ARG 61 3.788 -2.482 -1.703 463 HG2 ARG 61 HG2 ARG 61 4.954 -2.537 -3.857 464 HG3 ARG 61 HG3 ARG 61 5.310 -0.810 -3.734 465 HD2 ARG 61 HD2 ARG 61 7.255 -2.211 -3.109 466 HD3 ARG 61 HD3 ARG 61 6.707 -1.197 -1.768 467 HE ARG 61 HE ARG 61 5.414 -3.622 -1.473 468 HH11 ARG 61 HH11 ARG 61 8.733 -2.657 -1.547 469 HH12 ARG 61 HH12 ARG 61 9.213 -3.886 -0.437 470 HH21 ARG 61 HH21 ARG 61 6.055 -5.175 -0.071 471 HH22 ARG 61 HH22 ARG 61 7.718 -5.292 0.390 472 H LEU 62 H LEU 62 2.517 1.132 -1.860 473 HA LEU 62 HA LEU 62 2.946 2.740 -4.310 474 HB2 LEU 62 HB2 LEU 62 0.832 3.007 -2.900 475 HB3 LEU 62 HB3 LEU 62 1.836 3.632 -1.610 476 HG LEU 62 HG LEU 62 1.666 4.972 -4.348 477 HD11 LEU 62 HD11 LEU 62 0.019 6.529 -3.409 478 HD12 LEU 62 HD12 LEU 62 -0.029 5.599 -1.908 479 HD13 LEU 62 HD13 LEU 62 -0.592 4.874 -3.418 480 HD21 LEU 62 HD21 LEU 62 2.430 7.001 -3.161 481 HD22 LEU 62 HD22 LEU 62 3.606 5.698 -3.028 482 HD23 LEU 62 HD23 LEU 62 2.563 6.082 -1.656 483 H VAL 63 H VAL 63 5.021 3.420 -4.527 484 HA VAL 63 HA VAL 63 6.699 3.901 -2.129 485 HB VAL 63 HB VAL 63 7.566 3.452 -5.023 486 HG11 VAL 63 HG11 VAL 63 9.186 4.880 -3.850 487 HG12 VAL 63 HG12 VAL 63 9.878 3.284 -4.137 488 HG13 VAL 63 HG13 VAL 63 9.294 3.714 -2.527 489 HG21 VAL 63 HG21 VAL 63 7.726 1.549 -2.649 490 HG22 VAL 63 HG22 VAL 63 8.385 1.244 -4.257 491 HG23 VAL 63 HG23 VAL 63 6.642 1.395 -4.037 492 H LEU 64 H LEU 64 7.320 5.925 -1.642 493 HA LEU 64 HA LEU 64 6.945 8.127 -3.590 494 HB2 LEU 64 HB2 LEU 64 5.324 7.739 -1.376 495 HB3 LEU 64 HB3 LEU 64 6.538 8.800 -0.697 496 HG LEU 64 HG LEU 64 4.644 10.124 -1.443 497 HD11 LEU 64 HD11 LEU 64 6.835 11.172 -1.740 498 HD12 LEU 64 HD12 LEU 64 5.677 11.725 -2.946 499 HD13 LEU 64 HD13 LEU 64 6.919 10.551 -3.392 500 HD21 LEU 64 HD21 LEU 64 5.024 8.913 -4.197 501 HD22 LEU 64 HD22 LEU 64 3.867 10.177 -3.765 502 HD23 LEU 64 HD23 LEU 64 3.705 8.566 -3.075 503 HA PRO 65 HA PRO 65 11.426 8.411 -2.491 504 HB2 PRO 65 HB2 PRO 65 12.021 10.288 -4.459 505 HB3 PRO 65 HB3 PRO 65 11.968 8.540 -4.726 506 HG2 PRO 65 HG2 PRO 65 9.829 10.606 -5.258 507 HG3 PRO 65 HG3 PRO 65 10.369 9.268 -6.296 508 HD2 PRO 65 HD2 PRO 65 8.124 9.065 -4.849 509 HD3 PRO 65 HD3 PRO 65 9.198 7.662 -5.047 510 H ALA 66 H ALA 66 9.575 11.436 -3.244 511 HA ALA 66 HA ALA 66 10.829 12.745 -0.876 512 HB1 ALA 66 HB1 ALA 66 10.541 14.898 -2.041 513 HB2 ALA 66 HB2 ALA 66 9.847 14.064 -3.436 514 HB3 ALA 66 HB3 ALA 66 11.533 13.792 -2.993 515 H THR 67 H THR 67 9.274 12.196 0.630 516 HA THR 67 HA THR 67 6.458 12.131 0.062 517 HB THR 67 HB THR 67 7.746 11.984 2.829 518 HG1 THR 67 HG1 THR 67 8.727 10.309 1.920 519 HG21 THR 67 HG21 THR 67 5.171 10.753 1.748 520 HG22 THR 67 HG22 THR 67 5.259 12.150 2.821 521 HG23 THR 67 HG23 THR 67 5.798 10.571 3.389 522 H GLN 68 H GLN 68 5.812 14.179 -0.544 523 HA GLN 68 HA GLN 68 6.486 16.607 0.832 524 HB2 GLN 68 HB2 GLN 68 4.459 16.025 -1.372 525 HB3 GLN 68 HB3 GLN 68 4.877 17.646 -0.819 526 HG2 GLN 68 HG2 GLN 68 7.194 17.325 -1.557 527 HG3 GLN 68 HG3 GLN 68 6.826 15.677 -2.056 528 HE21 GLN 68 HE21 GLN 68 6.374 19.060 -2.796 529 HE22 GLN 68 HE22 GLN 68 5.804 18.833 -4.408 530 HA PRO 69 HA PRO 69 3.531 16.920 4.146 531 HB2 PRO 69 HB2 PRO 69 2.956 19.722 3.177 532 HB3 PRO 69 HB3 PRO 69 3.384 19.158 4.800 533 HG2 PRO 69 HG2 PRO 69 5.210 20.351 3.279 534 HG3 PRO 69 HG3 PRO 69 5.657 18.942 4.266 535 HD2 PRO 69 HD2 PRO 69 5.152 19.108 1.303 536 HD3 PRO 69 HD3 PRO 69 6.365 18.158 2.188 537 H SER 70 H SER 70 2.313 18.270 1.072 538 HA SER 70 HA SER 70 -0.474 18.099 1.632 539 HB2 SER 70 HB2 SER 70 -0.808 18.431 -0.774 540 HB3 SER 70 HB3 SER 70 0.499 19.479 -0.217 541 HG SER 70 HG SER 70 0.568 17.302 -1.944 542 H ASP 71 H ASP 71 1.840 15.840 0.151 543 HA ASP 71 HA ASP 71 -0.094 13.806 -0.519 544 HB2 ASP 71 HB2 ASP 71 2.098 14.166 -1.757 545 HB3 ASP 71 HB3 ASP 71 2.941 13.516 -0.354 546 H GLY 72 H GLY 72 1.345 14.715 2.412 547 HA2 GLY 72 HA2 GLY 72 1.415 12.125 3.719 548 HA3 GLY 72 HA3 GLY 72 1.627 13.689 4.484 549 H GLY 73 H GLY 73 -0.897 11.648 2.998 550 HA2 GLY 73 HA2 GLY 73 -2.872 12.670 4.979 551 HA3 GLY 73 HA3 GLY 73 -3.267 12.508 3.273 552 H GLU 74 H GLU 74 -4.965 11.093 3.714 553 HA GLU 74 HA GLU 74 -4.462 8.518 5.032 554 HB2 GLU 74 HB2 GLU 74 -7.033 9.669 3.858 555 HB3 GLU 74 HB3 GLU 74 -6.910 8.212 4.846 556 HG2 GLU 74 HG2 GLU 74 -6.177 9.576 6.766 557 HG3 GLU 74 HG3 GLU 74 -6.267 11.034 5.777 558 H PHE 75 H PHE 75 -4.010 6.695 3.863 559 HA PHE 75 HA PHE 75 -4.624 6.632 0.962 560 HB2 PHE 75 HB2 PHE 75 -2.404 5.221 2.499 561 HB3 PHE 75 HB3 PHE 75 -2.757 4.953 0.795 562 HD1 PHE 75 HD2 PHE 75 -1.522 7.467 3.252 563 HD2 PHE 75 HD1 PHE 75 -2.047 6.527 -0.890 564 HE1 PHE 75 HE2 PHE 75 -0.059 9.348 2.634 565 HE2 PHE 75 HE1 PHE 75 -0.585 8.409 -1.493 566 HZ PHE 75 HZ PHE 75 0.413 9.818 0.261 567 H GLN 76 H GLN 76 -6.316 5.420 0.520 568 HA GLN 76 HA GLN 76 -7.138 3.189 2.268 569 HB2 GLN 76 HB2 GLN 76 -8.765 5.035 1.890 570 HB3 GLN 76 HB3 GLN 76 -8.682 4.762 0.155 571 HG2 GLN 76 HG2 GLN 76 -9.626 2.476 0.521 572 HG3 GLN 76 HG3 GLN 76 -9.792 2.855 2.235 573 HE21 GLN 76 HE21 GLN 76 -11.860 2.174 0.273 574 HE22 GLN 76 HE22 GLN 76 -12.971 3.494 0.256 575 H CYS 77 H CYS 77 -5.970 1.443 1.524 576 HA CYS 77 HA CYS 77 -5.814 0.800 -1.330 577 HB2 CYS 77 HB2 CYS 77 -3.809 0.419 0.070 578 HB3 CYS 77 HB3 CYS 77 -4.708 -0.717 1.075 579 HG CYS 77 HG CYS 77 -2.968 -2.125 -0.624 580 H VAL 78 H VAL 78 -7.798 0.160 -2.039 581 HA VAL 78 HA VAL 78 -9.513 -1.618 -0.476 582 HB VAL 78 HB VAL 78 -10.057 -0.504 -3.270 583 HG11 VAL 78 HG11 VAL 78 -11.977 -1.532 -1.131 584 HG12 VAL 78 HG12 VAL 78 -11.524 -2.381 -2.610 585 HG13 VAL 78 HG13 VAL 78 -12.440 -0.876 -2.705 586 HG21 VAL 78 HG21 VAL 78 -9.591 1.387 -1.769 587 HG22 VAL 78 HG22 VAL 78 -10.766 0.785 -0.598 588 HG23 VAL 78 HG23 VAL 78 -11.307 1.343 -2.184 589 H ALA 79 H ALA 79 -9.237 -3.781 -0.638 590 HA ALA 79 HA ALA 79 -7.905 -5.099 -2.824 591 HB1 ALA 79 HB1 ALA 79 -8.474 -7.187 -1.645 592 HB2 ALA 79 HB2 ALA 79 -9.516 -6.283 -0.540 593 HB3 ALA 79 HB3 ALA 79 -7.777 -5.993 -0.551 594 H GLY 80 H GLY 80 -11.252 -4.813 -1.740 595 HA2 GLY 80 HA2 GLY 80 -12.901 -4.723 -3.717 596 HA3 GLY 80 HA3 GLY 80 -12.294 -6.342 -4.057 597 H ASP 81 H ASP 81 -12.124 -7.618 -1.769 598 HA ASP 81 HA ASP 81 -14.790 -7.698 -0.577 599 HB2 ASP 81 HB2 ASP 81 -13.615 -9.816 -1.116 600 HB3 ASP 81 HB3 ASP 81 -12.292 -9.365 -0.048 601 H GLU 82 H GLU 82 -11.419 -7.362 0.640 602 HA GLU 82 HA GLU 82 -12.375 -5.823 2.989 603 HB2 GLU 82 HB2 GLU 82 -9.664 -7.157 2.562 604 HB3 GLU 82 HB3 GLU 82 -10.217 -6.368 4.038 605 HG2 GLU 82 HG2 GLU 82 -12.095 -8.109 4.079 606 HG3 GLU 82 HG3 GLU 82 -11.197 -8.964 2.828 607 H CYS 83 H CYS 83 -10.450 -4.269 3.785 608 HA CYS 83 HA CYS 83 -9.104 -2.784 1.674 609 HB2 CYS 83 HB2 CYS 83 -11.341 -1.743 1.620 610 HB3 CYS 83 HB3 CYS 83 -11.266 -1.438 3.355 611 HG CYS 83 HG CYS 83 -8.603 -0.116 2.004 612 H ALA 84 H ALA 84 -7.155 -2.225 2.435 613 HA ALA 84 HA ALA 84 -6.573 -2.114 5.319 614 HB1 ALA 84 HB1 ALA 84 -5.104 -3.493 3.882 615 HB2 ALA 84 HB2 ALA 84 -4.204 -2.173 4.628 616 HB3 ALA 84 HB3 ALA 84 -4.681 -2.067 2.931 617 H TYR 85 H TYR 85 -6.161 -0.223 6.373 618 HA TYR 85 HA TYR 85 -6.256 2.316 4.846 619 HB2 TYR 85 HB2 TYR 85 -7.025 1.736 7.741 620 HB3 TYR 85 HB3 TYR 85 -7.073 3.333 6.992 621 HD1 TYR 85 HD2 TYR 85 -8.711 3.788 5.125 622 HD2 TYR 85 HD1 TYR 85 -8.820 0.129 7.338 623 HE1 TYR 85 HE2 TYR 85 -10.980 3.348 4.289 624 HE2 TYR 85 HE1 TYR 85 -11.088 -0.311 6.493 625 HH TYR 85 HH TYR 85 -12.481 1.452 3.932 626 H PHE 86 H PHE 86 -4.605 3.666 4.886 627 HA PHE 86 HA PHE 86 -2.367 3.361 6.813 628 HB2 PHE 86 HB2 PHE 86 -2.302 4.307 3.904 629 HB3 PHE 86 HB3 PHE 86 -0.919 4.339 4.989 630 HD1 PHE 86 HD1 PHE 86 -3.423 1.928 3.533 631 HD2 PHE 86 HD2 PHE 86 0.562 2.499 4.986 632 HE1 PHE 86 HE1 PHE 86 -2.838 -0.360 2.842 633 HE2 PHE 86 HE2 PHE 86 1.134 0.209 4.291 634 HZ PHE 86 HZ PHE 86 -0.560 -1.222 3.224 635 H THR 87 H THR 87 -1.590 5.251 7.775 636 HA THR 87 HA THR 87 -2.868 7.848 7.135 637 HB THR 87 HB THR 87 -2.666 6.702 9.964 638 HG1 THR 87 HG1 THR 87 -4.684 6.747 8.063 639 HG21 THR 87 HG21 THR 87 -3.898 8.734 10.672 640 HG22 THR 87 HG22 THR 87 -3.804 9.369 9.028 641 HG23 THR 87 HG23 THR 87 -2.330 9.156 9.977 642 H VAL 88 H VAL 88 -1.155 8.990 6.471 643 HA VAL 88 HA VAL 88 1.478 8.721 7.771 644 HB VAL 88 HB VAL 88 0.739 10.142 5.170 645 HG11 VAL 88 HG11 VAL 88 3.487 9.465 6.295 646 HG12 VAL 88 HG12 VAL 88 2.789 11.081 6.158 647 HG13 VAL 88 HG13 VAL 88 3.175 10.163 4.701 648 HG21 VAL 88 HG21 VAL 88 1.998 7.392 5.550 649 HG22 VAL 88 HG22 VAL 88 1.741 8.201 4.003 650 HG23 VAL 88 HG23 VAL 88 0.356 7.711 4.979 651 H THR 89 H THR 89 2.266 10.280 9.071 652 HA THR 89 HA THR 89 1.140 13.027 9.043 653 HB THR 89 HB THR 89 2.085 11.458 11.489 654 HG1 THR 89 HG1 THR 89 -0.376 11.784 10.316 655 HG21 THR 89 HG21 THR 89 0.960 14.283 11.332 656 HG22 THR 89 HG22 THR 89 2.623 13.856 11.742 657 HG23 THR 89 HG23 THR 89 1.306 13.397 12.821 658 H ILE 90 H ILE 90 2.642 14.337 8.234 659 HA ILE 90 HA ILE 90 5.530 13.770 8.509 660 HB ILE 90 HB ILE 90 4.131 15.782 6.682 661 HG12 ILE 90 HG12 ILE 90 5.139 12.973 6.026 662 HG13 ILE 90 HG13 ILE 90 3.450 13.451 6.139 663 HG21 ILE 90 HG21 ILE 90 6.999 14.753 6.634 664 HG22 ILE 90 HG22 ILE 90 6.481 16.376 7.100 665 HG23 ILE 90 HG23 ILE 90 6.278 15.831 5.435 666 HD11 ILE 90 HD11 ILE 90 3.734 14.907 4.206 667 HD12 ILE 90 HD12 ILE 90 4.172 13.238 3.846 668 HD13 ILE 90 HD13 ILE 90 5.434 14.442 4.101 Start of MODEL 3 1 H HIS 1 H1 HIS 1 -17.540 -15.329 -5.007 2 HA HIS 1 HA HIS 1 -16.739 -18.047 -4.118 3 HB2 HIS 1 HB2 HIS 1 -17.209 -16.920 -6.913 4 HB3 HIS 1 HB3 HIS 1 -16.456 -18.481 -6.596 5 HD1 HIS 1 HD1 HIS 1 -19.673 -17.004 -7.262 6 HD2 HIS 1 HD2 HIS 1 -18.329 -20.295 -5.110 7 HE1 HIS 1 HE1 HIS 1 -21.666 -18.499 -7.011 8 HE2 HIS 1 HE2 HIS 1 -20.817 -20.518 -5.782 9 H MET 2 H MET 2 -14.658 -18.133 -3.569 10 HA MET 2 HA MET 2 -12.499 -17.653 -3.171 11 HB2 MET 2 HB2 MET 2 -12.506 -16.564 -6.021 12 HB3 MET 2 HB3 MET 2 -11.059 -16.890 -5.074 13 HG2 MET 2 HG2 MET 2 -11.621 -19.281 -5.020 14 HG3 MET 2 HG3 MET 2 -13.098 -18.957 -5.929 15 HE1 MET 2 HE1 MET 2 -11.097 -21.165 -6.875 16 HE2 MET 2 HE2 MET 2 -10.910 -20.818 -8.594 17 HE3 MET 2 HE3 MET 2 -12.504 -20.725 -7.844 18 HA PRO 3 HA PRO 3 -13.303 -13.302 -1.830 19 HB2 PRO 3 HB2 PRO 3 -12.205 -13.509 0.661 20 HB3 PRO 3 HB3 PRO 3 -13.812 -14.149 0.285 21 HG2 PRO 3 HG2 PRO 3 -11.172 -15.611 0.408 22 HG3 PRO 3 HG3 PRO 3 -12.730 -16.075 1.127 23 HD2 PRO 3 HD2 PRO 3 -11.843 -17.125 -1.229 24 HD3 PRO 3 HD3 PRO 3 -13.573 -16.866 -0.907 25 H VAL 4 H VAL 4 -11.903 -11.477 -1.365 26 HA VAL 4 HA VAL 4 -9.005 -11.920 -1.806 27 HB VAL 4 HB VAL 4 -9.958 -11.216 -3.936 28 HG11 VAL 4 HG11 VAL 4 -10.974 -8.702 -2.577 29 HG12 VAL 4 HG12 VAL 4 -11.964 -10.011 -3.223 30 HG13 VAL 4 HG13 VAL 4 -11.001 -9.013 -4.315 31 HG21 VAL 4 HG21 VAL 4 -8.498 -9.275 -4.406 32 HG22 VAL 4 HG22 VAL 4 -7.682 -10.497 -3.429 33 HG23 VAL 4 HG23 VAL 4 -8.286 -9.022 -2.672 34 H HIS 5 H HIS 5 -9.156 -11.906 0.505 35 HA HIS 5 HA HIS 5 -9.500 -9.464 2.009 36 HB2 HIS 5 HB2 HIS 5 -7.935 -11.956 2.849 37 HB3 HIS 5 HB3 HIS 5 -8.615 -10.721 3.904 38 HD1 HIS 5 HD1 HIS 5 -11.260 -10.786 4.205 39 HD2 HIS 5 HD2 HIS 5 -9.638 -14.026 2.187 40 HE1 HIS 5 HE1 HIS 5 -12.994 -12.580 4.341 41 HE2 HIS 5 HE2 HIS 5 -11.975 -14.551 3.166 42 H ILE 6 H ILE 6 -7.934 -7.860 2.311 43 HA ILE 6 HA ILE 6 -5.275 -8.171 1.206 44 HB ILE 6 HB ILE 6 -6.305 -5.915 2.992 45 HG12 ILE 6 HG12 ILE 6 -6.168 -6.180 -0.051 46 HG13 ILE 6 HG13 ILE 6 -7.633 -6.080 0.918 47 HG21 ILE 6 HG21 ILE 6 -3.839 -6.054 2.994 48 HG22 ILE 6 HG22 ILE 6 -4.363 -4.641 2.081 49 HG23 ILE 6 HG23 ILE 6 -3.821 -6.086 1.228 50 HD11 ILE 6 HD11 ILE 6 -7.207 -4.017 -0.235 51 HD12 ILE 6 HD12 ILE 6 -5.608 -3.892 0.494 52 HD13 ILE 6 HD13 ILE 6 -7.052 -3.769 1.503 53 H VAL 7 H VAL 7 -4.120 -9.709 2.171 54 HA VAL 7 HA VAL 7 -4.346 -10.470 4.903 55 HB VAL 7 HB VAL 7 -2.535 -12.096 4.414 56 HG11 VAL 7 HG11 VAL 7 -4.661 -11.931 2.236 57 HG12 VAL 7 HG12 VAL 7 -4.852 -12.672 3.827 58 HG13 VAL 7 HG13 VAL 7 -3.736 -13.377 2.658 59 HG21 VAL 7 HG21 VAL 7 -2.345 -10.727 1.688 60 HG22 VAL 7 HG22 VAL 7 -1.547 -12.242 2.121 61 HG23 VAL 7 HG23 VAL 7 -1.093 -10.744 2.934 62 H ASP 8 H ASP 8 -2.252 -8.203 3.295 63 HA ASP 8 HA ASP 8 -1.124 -7.380 5.845 64 HB2 ASP 8 HB2 ASP 8 0.484 -9.110 5.039 65 HB3 ASP 8 HB3 ASP 8 0.718 -8.199 3.548 66 HA PRO 9 HA PRO 9 -1.300 -5.760 6.828 67 HB2 PRO 9 HB2 PRO 9 -2.233 -3.360 7.584 68 HB3 PRO 9 HB3 PRO 9 -0.550 -3.555 7.067 69 HG2 PRO 9 HG2 PRO 9 -2.895 -2.474 5.519 70 HG3 PRO 9 HG3 PRO 9 -1.229 -1.862 5.600 71 HD2 PRO 9 HD2 PRO 9 -2.231 -3.495 3.553 72 HD3 PRO 9 HD3 PRO 9 -0.509 -3.296 3.935 73 H ARG 10 H ARG 10 -3.032 -5.960 8.307 74 HA ARG 10 HA ARG 10 -5.744 -6.300 7.209 75 HB2 ARG 10 HB2 ARG 10 -4.633 -6.950 9.979 76 HB3 ARG 10 HB3 ARG 10 -6.216 -7.423 9.374 77 HG2 ARG 10 HG2 ARG 10 -3.561 -8.378 8.242 78 HG3 ARG 10 HG3 ARG 10 -4.566 -9.279 9.378 79 HD2 ARG 10 HD2 ARG 10 -5.354 -8.452 6.567 80 HD3 ARG 10 HD3 ARG 10 -4.893 -10.075 7.079 81 HE ARG 10 HE ARG 10 -6.937 -9.800 8.651 82 HH11 ARG 10 HH11 ARG 10 -6.784 -8.569 5.417 83 HH12 ARG 10 HH12 ARG 10 -8.486 -8.739 5.174 84 HH21 ARG 10 HH21 ARG 10 -9.118 -9.982 8.296 85 HH22 ARG 10 HH22 ARG 10 -9.777 -9.507 6.767 86 H GLU 11 H GLU 11 -4.007 -3.816 8.655 87 HA GLU 11 HA GLU 11 -6.314 -2.538 9.962 88 HB2 GLU 11 HB2 GLU 11 -5.052 -2.215 12.067 89 HB3 GLU 11 HB3 GLU 11 -5.233 -3.930 11.712 90 HG2 GLU 11 HG2 GLU 11 -2.924 -4.042 10.902 91 HG3 GLU 11 HG3 GLU 11 -2.721 -2.308 11.150 92 H HIS 12 H HIS 12 -5.074 -0.443 11.205 93 HA HIS 12 HA HIS 12 -4.164 1.283 9.048 94 HB2 HIS 12 HB2 HIS 12 -4.461 1.982 12.008 95 HB3 HIS 12 HB3 HIS 12 -4.412 3.101 10.645 96 HD1 HIS 12 HD1 HIS 12 -6.674 0.589 12.325 97 HD2 HIS 12 HD2 HIS 12 -6.863 3.548 9.422 98 HE1 HIS 12 HE1 HIS 12 -9.118 0.870 11.815 99 HE2 HIS 12 HE2 HIS 12 -9.203 2.679 10.064 100 H VAL 13 H VAL 13 -2.002 1.213 8.507 101 HA VAL 13 HA VAL 13 0.088 0.685 10.484 102 HB VAL 13 HB VAL 13 0.330 1.366 7.512 103 HG11 VAL 13 HG11 VAL 13 2.660 0.510 7.690 104 HG12 VAL 13 HG12 VAL 13 2.458 0.334 9.434 105 HG13 VAL 13 HG13 VAL 13 2.409 1.938 8.699 106 HG21 VAL 13 HG21 VAL 13 -0.848 -0.768 7.873 107 HG22 VAL 13 HG22 VAL 13 0.464 -1.337 8.907 108 HG23 VAL 13 HG23 VAL 13 0.756 -1.054 7.190 109 H PHE 14 H PHE 14 0.686 2.322 11.804 110 HA PHE 14 HA PHE 14 0.234 5.103 11.169 111 HB2 PHE 14 HB2 PHE 14 1.550 3.805 13.594 112 HB3 PHE 14 HB3 PHE 14 1.155 5.516 13.463 113 HD1 PHE 14 HD1 PHE 14 -0.248 2.117 13.871 114 HD2 PHE 14 HD2 PHE 14 -1.173 6.290 13.651 115 HE1 PHE 14 HE1 PHE 14 -2.514 1.664 14.721 116 HE2 PHE 14 HE2 PHE 14 -3.431 5.827 14.508 117 HZ PHE 14 HZ PHE 14 -4.107 3.519 15.043 118 H VAL 15 H VAL 15 1.568 6.130 9.869 119 HA VAL 15 HA VAL 15 4.499 5.736 9.924 120 HB VAL 15 HB VAL 15 2.717 6.605 7.589 121 HG11 VAL 15 HG11 VAL 15 4.761 6.517 6.190 122 HG12 VAL 15 HG12 VAL 15 5.731 6.172 7.623 123 HG13 VAL 15 HG13 VAL 15 4.911 7.727 7.467 124 HG21 VAL 15 HG21 VAL 15 3.349 4.456 6.534 125 HG22 VAL 15 HG22 VAL 15 2.509 4.191 8.062 126 HG23 VAL 15 HG23 VAL 15 4.263 4.010 7.978 127 H HIS 16 H HIS 16 5.758 7.569 10.218 128 HA HIS 16 HA HIS 16 4.504 10.263 10.123 129 HB2 HIS 16 HB2 HIS 16 6.430 9.242 12.265 130 HB3 HIS 16 HB3 HIS 16 5.899 10.916 12.107 131 HD1 HIS 16 HD1 HIS 16 4.774 7.560 13.302 132 HD2 HIS 16 HD2 HIS 16 3.248 11.403 12.937 133 HE1 HIS 16 HE1 HIS 16 2.650 7.560 14.625 134 HE2 HIS 16 HE2 HIS 16 1.818 9.927 14.503 135 H ALA 17 H ALA 17 5.555 11.560 8.731 136 HA ALA 17 HA ALA 17 8.424 11.144 8.119 137 HB1 ALA 17 HB1 ALA 17 7.087 9.949 6.416 138 HB2 ALA 17 HB2 ALA 17 7.945 11.315 5.707 139 HB3 ALA 17 HB3 ALA 17 6.215 11.438 6.042 140 H ILE 18 H ILE 18 9.506 12.959 7.305 141 HA ILE 18 HA ILE 18 8.334 15.627 7.637 142 HB ILE 18 HB ILE 18 11.168 14.733 6.911 143 HG12 ILE 18 HG12 ILE 18 10.573 14.048 9.197 144 HG13 ILE 18 HG13 ILE 18 11.770 15.336 9.251 145 HG21 ILE 18 HG21 ILE 18 10.817 17.000 6.054 146 HG22 ILE 18 HG22 ILE 18 11.929 17.032 7.422 147 HG23 ILE 18 HG23 ILE 18 10.253 17.542 7.637 148 HD11 ILE 18 HD11 ILE 18 8.810 15.612 9.773 149 HD12 ILE 18 HD12 ILE 18 9.967 16.948 9.772 150 HD13 ILE 18 HD13 ILE 18 10.109 15.656 10.964 151 H THR 19 H THR 19 8.633 17.221 5.818 152 HA THR 19 HA THR 19 7.443 16.418 3.398 153 HB THR 19 HB THR 19 7.838 18.763 2.636 154 HG1 THR 19 HG1 THR 19 9.528 19.741 3.415 155 HG21 THR 19 HG21 THR 19 6.604 19.914 4.435 156 HG22 THR 19 HG22 THR 19 6.958 18.589 5.546 157 HG23 THR 19 HG23 THR 19 5.927 18.310 4.141 158 H SER 20 H SER 20 10.501 15.485 4.012 159 HA SER 20 HA SER 20 11.309 15.485 1.174 160 HB2 SER 20 HB2 SER 20 13.152 16.305 3.473 161 HB3 SER 20 HB3 SER 20 13.663 16.060 1.801 162 HG SER 20 HG SER 20 11.645 17.737 1.688 163 H GLU 21 H GLU 21 10.332 13.450 3.351 164 HA GLU 21 HA GLU 21 12.619 11.608 3.586 165 HB2 GLU 21 HB2 GLU 21 9.806 11.570 4.743 166 HB3 GLU 21 HB3 GLU 21 10.929 10.229 4.952 167 HG2 GLU 21 HG2 GLU 21 11.493 13.070 5.853 168 HG3 GLU 21 HG3 GLU 21 10.799 11.825 6.889 169 H CYS 22 H CYS 22 12.307 9.268 3.182 170 HA CYS 22 HA CYS 22 10.708 8.687 0.749 171 HB2 CYS 22 HB2 CYS 22 12.336 6.852 0.320 172 HB3 CYS 22 HB3 CYS 22 13.116 8.429 0.377 173 HG CYS 22 HG CYS 22 13.123 6.812 3.311 174 H VAL 23 H VAL 23 8.909 7.521 1.116 175 HA VAL 23 HA VAL 23 8.785 5.581 3.373 176 HB VAL 23 HB VAL 23 6.651 7.579 2.477 177 HG11 VAL 23 HG11 VAL 23 5.155 6.601 4.216 178 HG12 VAL 23 HG12 VAL 23 6.324 5.308 4.487 179 HG13 VAL 23 HG13 VAL 23 5.508 5.446 2.928 180 HG21 VAL 23 HG21 VAL 23 8.052 7.203 5.161 181 HG22 VAL 23 HG22 VAL 23 6.790 8.391 4.826 182 HG23 VAL 23 HG23 VAL 23 8.350 8.508 4.009 183 H MET 24 H MET 24 8.358 3.552 2.746 184 HA MET 24 HA MET 24 7.016 2.994 0.157 185 HB2 MET 24 HB2 MET 24 8.720 1.141 1.879 186 HB3 MET 24 HB3 MET 24 8.035 0.746 0.308 187 HG2 MET 24 HG2 MET 24 9.454 2.487 -0.727 188 HG3 MET 24 HG3 MET 24 10.154 2.840 0.852 189 HE1 MET 24 HE1 MET 24 9.187 -0.734 -0.622 190 HE2 MET 24 HE2 MET 24 10.725 -1.206 -1.345 191 HE3 MET 24 HE3 MET 24 9.811 0.143 -2.020 192 H LEU 25 H LEU 25 4.843 3.039 0.683 193 HA LEU 25 HA LEU 25 3.693 1.495 2.873 194 HB2 LEU 25 HB2 LEU 25 2.315 2.819 0.495 195 HB3 LEU 25 HB3 LEU 25 1.532 2.241 1.962 196 HG LEU 25 HG LEU 25 3.467 4.590 1.779 197 HD11 LEU 25 HD11 LEU 25 0.474 4.571 2.289 198 HD12 LEU 25 HD12 LEU 25 1.273 5.084 0.800 199 HD13 LEU 25 HD13 LEU 25 1.528 5.990 2.288 200 HD21 LEU 25 HD21 LEU 25 3.710 3.450 3.944 201 HD22 LEU 25 HD22 LEU 25 1.968 3.555 4.214 202 HD23 LEU 25 HD23 LEU 25 2.943 5.024 4.142 203 H ALA 26 H ALA 26 2.939 -0.640 2.695 204 HA ALA 26 HA ALA 26 3.094 -1.948 0.020 205 HB1 ALA 26 HB1 ALA 26 4.199 -3.874 1.052 206 HB2 ALA 26 HB2 ALA 26 4.152 -3.087 2.633 207 HB3 ALA 26 HB3 ALA 26 5.129 -2.401 1.334 208 H CYS 27 H CYS 27 1.277 -2.909 -0.546 209 HA CYS 27 HA CYS 27 -0.575 -4.110 1.444 210 HB2 CYS 27 HB2 CYS 27 -1.637 -2.135 0.508 211 HB3 CYS 27 HB3 CYS 27 -1.230 -2.626 -1.135 212 HG CYS 27 HG CYS 27 -2.947 -4.801 -1.174 213 H GLU 28 H GLU 28 -1.252 -6.204 1.031 214 HA GLU 28 HA GLU 28 -0.937 -7.421 -1.606 215 HB2 GLU 28 HB2 GLU 28 1.251 -7.826 -0.472 216 HB3 GLU 28 HB3 GLU 28 0.415 -8.643 0.846 217 HG2 GLU 28 HG2 GLU 28 -0.374 -10.382 -0.712 218 HG3 GLU 28 HG3 GLU 28 0.405 -9.545 -2.054 219 H VAL 29 H VAL 29 -2.255 -9.191 -1.961 220 HA VAL 29 HA VAL 29 -4.363 -9.762 0.058 221 HB VAL 29 HB VAL 29 -5.826 -10.315 -1.932 222 HG11 VAL 29 HG11 VAL 29 -4.716 -7.483 -1.851 223 HG12 VAL 29 HG12 VAL 29 -6.015 -8.129 -0.845 224 HG13 VAL 29 HG13 VAL 29 -6.252 -7.956 -2.583 225 HG21 VAL 29 HG21 VAL 29 -4.056 -10.802 -3.598 226 HG22 VAL 29 HG22 VAL 29 -3.548 -9.113 -3.574 227 HG23 VAL 29 HG23 VAL 29 -5.143 -9.547 -4.197 228 H ASP 30 H ASP 30 -5.454 -11.946 -0.259 229 HA ASP 30 HA ASP 30 -3.512 -14.088 -0.581 230 HB2 ASP 30 HB2 ASP 30 -5.288 -15.590 0.150 231 HB3 ASP 30 HB3 ASP 30 -5.226 -14.196 1.212 232 H ARG 31 H ARG 31 -6.327 -12.830 -2.363 233 HA ARG 31 HA ARG 31 -6.132 -14.902 -4.434 234 HB2 ARG 31 HB2 ARG 31 -8.378 -14.241 -3.648 235 HB3 ARG 31 HB3 ARG 31 -8.074 -12.571 -4.117 236 HG2 ARG 31 HG2 ARG 31 -7.916 -13.294 -6.503 237 HG3 ARG 31 HG3 ARG 31 -8.282 -14.948 -6.005 238 HD2 ARG 31 HD2 ARG 31 -10.492 -14.222 -5.180 239 HD3 ARG 31 HD3 ARG 31 -10.119 -12.552 -5.632 240 HE ARG 31 HE ARG 31 -9.786 -13.999 -7.948 241 HH11 ARG 31 HH11 ARG 31 -12.455 -13.505 -5.805 242 HH12 ARG 31 HH12 ARG 31 -13.623 -13.713 -7.056 243 HH21 ARG 31 HH21 ARG 31 -11.288 -14.245 -9.534 244 HH22 ARG 31 HH22 ARG 31 -12.973 -14.100 -9.145 245 H GLU 32 H GLU 32 -4.274 -14.492 -5.554 246 HA GLU 32 HA GLU 32 -3.248 -11.986 -6.352 247 HB2 GLU 32 HB2 GLU 32 -1.928 -13.471 -8.085 248 HB3 GLU 32 HB3 GLU 32 -1.620 -13.647 -6.371 249 HG2 GLU 32 HG2 GLU 32 -1.653 -15.818 -7.449 250 HG3 GLU 32 HG3 GLU 32 -2.980 -15.689 -6.300 251 H ASP 33 H ASP 33 -5.711 -13.940 -7.807 252 HA ASP 33 HA ASP 33 -5.846 -12.960 -10.424 253 HB2 ASP 33 HB2 ASP 33 -7.069 -14.940 -9.588 254 HB3 ASP 33 HB3 ASP 33 -8.068 -13.913 -8.566 255 H ALA 34 H ALA 34 -6.933 -11.495 -7.402 256 HA ALA 34 HA ALA 34 -8.066 -9.163 -8.855 257 HB1 ALA 34 HB1 ALA 34 -9.767 -10.410 -7.588 258 HB2 ALA 34 HB2 ALA 34 -9.523 -8.798 -6.914 259 HB3 ALA 34 HB3 ALA 34 -8.829 -10.209 -6.107 260 HA PRO 35 HA PRO 35 -4.447 -7.182 -6.699 261 HB2 PRO 35 HB2 PRO 35 -4.853 -5.152 -8.855 262 HB3 PRO 35 HB3 PRO 35 -3.383 -6.022 -8.397 263 HG2 PRO 35 HG2 PRO 35 -4.679 -6.595 -10.678 264 HG3 PRO 35 HG3 PRO 35 -3.915 -7.878 -9.713 265 HD2 PRO 35 HD2 PRO 35 -6.834 -7.079 -9.823 266 HD3 PRO 35 HD3 PRO 35 -6.107 -8.704 -9.880 267 H VAL 36 H VAL 36 -4.221 -4.746 -6.036 268 HA VAL 36 HA VAL 36 -6.863 -3.733 -5.117 269 HB VAL 36 HB VAL 36 -5.883 -2.849 -3.152 270 HG11 VAL 36 HG11 VAL 36 -4.393 -5.453 -3.657 271 HG12 VAL 36 HG12 VAL 36 -6.047 -5.300 -3.052 272 HG13 VAL 36 HG13 VAL 36 -4.697 -4.725 -2.073 273 HG21 VAL 36 HG21 VAL 36 -3.426 -2.677 -2.705 274 HG22 VAL 36 HG22 VAL 36 -3.934 -1.687 -4.072 275 HG23 VAL 36 HG23 VAL 36 -3.108 -3.218 -4.357 276 H ARG 37 H ARG 37 -7.273 -1.467 -5.186 277 HA ARG 37 HA ARG 37 -5.538 0.223 -6.875 278 HB2 ARG 37 HB2 ARG 37 -8.221 0.893 -5.584 279 HB3 ARG 37 HB3 ARG 37 -7.339 1.901 -6.730 280 HG2 ARG 37 HG2 ARG 37 -7.701 0.176 -8.488 281 HG3 ARG 37 HG3 ARG 37 -8.624 -0.790 -7.326 282 HD2 ARG 37 HD2 ARG 37 -10.206 1.130 -7.052 283 HD3 ARG 37 HD3 ARG 37 -9.316 2.009 -8.304 284 HE ARG 37 HE ARG 37 -10.257 -0.575 -9.152 285 HH11 ARG 37 HH11 ARG 37 -11.115 2.767 -8.888 286 HH12 ARG 37 HH12 ARG 37 -12.393 2.631 -10.044 287 HH21 ARG 37 HH21 ARG 37 -11.888 -0.713 -10.631 288 HH22 ARG 37 HH22 ARG 37 -12.827 0.688 -11.009 289 H TRP 38 H TRP 38 -4.765 2.274 -6.036 290 HA TRP 38 HA TRP 38 -4.541 2.452 -3.083 291 HB2 TRP 38 HB2 TRP 38 -2.777 3.531 -5.320 292 HB3 TRP 38 HB3 TRP 38 -2.641 4.116 -3.665 293 HD1 TRP 38 HD1 TRP 38 -1.897 0.990 -5.790 294 HE1 TRP 38 HE1 TRP 38 -0.370 -0.564 -4.421 295 HE3 TRP 38 HE3 TRP 38 -2.034 3.443 -1.297 296 HZ2 TRP 38 HZ2 TRP 38 0.634 -0.739 -1.793 297 HZ3 TRP 38 HZ3 TRP 38 -0.758 2.514 0.594 298 HH2 TRP 38 HH2 TRP 38 0.552 0.461 0.347 299 H TYR 39 H TYR 39 -5.659 3.997 -2.072 300 HA TYR 39 HA TYR 39 -6.633 6.405 -3.525 301 HB2 TYR 39 HB2 TYR 39 -7.952 4.835 -1.261 302 HB3 TYR 39 HB3 TYR 39 -8.488 6.435 -1.750 303 HD1 TYR 39 HD1 TYR 39 -8.005 2.959 -3.078 304 HD2 TYR 39 HD2 TYR 39 -10.101 6.663 -3.482 305 HE1 TYR 39 HE1 TYR 39 -9.485 1.944 -4.752 306 HE2 TYR 39 HE2 TYR 39 -11.577 5.641 -5.155 307 HH TYR 39 HH TYR 39 -11.473 3.729 -6.772 308 H LYS 40 H LYS 40 -7.200 8.206 -1.816 309 HA LYS 40 HA LYS 40 -5.321 8.245 0.470 310 HB2 LYS 40 HB2 LYS 40 -4.303 9.560 -1.387 311 HB3 LYS 40 HB3 LYS 40 -5.758 10.549 -1.479 312 HG2 LYS 40 HG2 LYS 40 -5.324 11.302 0.883 313 HG3 LYS 40 HG3 LYS 40 -3.794 10.426 0.842 314 HD2 LYS 40 HD2 LYS 40 -4.486 12.611 -1.162 315 HD3 LYS 40 HD3 LYS 40 -3.728 12.961 0.388 316 HE2 LYS 40 HE2 LYS 40 -2.008 12.891 -1.272 317 HE3 LYS 40 HE3 LYS 40 -1.824 11.458 -0.273 318 HZ1 LYS 40 HZ1 LYS 40 -3.099 11.531 -2.950 319 HZ2 LYS 40 HZ2 LYS 40 -2.813 10.150 -2.020 320 HZ3 LYS 40 HZ3 LYS 40 -1.510 11.040 -2.635 321 H ASP 41 H ASP 41 -7.337 10.943 -0.504 322 HA ASP 41 HA ASP 41 -8.835 10.923 1.983 323 HB2 ASP 41 HB2 ASP 41 -9.784 13.110 0.952 324 HB3 ASP 41 HB3 ASP 41 -8.056 13.080 1.291 325 H GLY 42 H GLY 42 -9.386 10.296 -1.392 326 HA2 GLY 42 HA2 GLY 42 -11.696 8.713 -1.165 327 HA3 GLY 42 HA3 GLY 42 -12.207 10.359 -1.548 328 H GLN 43 H GLN 43 -9.824 10.998 -3.037 329 HA GLN 43 HA GLN 43 -10.283 9.845 -5.634 330 HB2 GLN 43 HB2 GLN 43 -8.344 11.224 -6.344 331 HB3 GLN 43 HB3 GLN 43 -9.494 12.169 -5.405 332 HG2 GLN 43 HG2 GLN 43 -8.067 12.089 -3.447 333 HG3 GLN 43 HG3 GLN 43 -6.959 10.971 -4.240 334 HE21 GLN 43 HE21 GLN 43 -6.481 13.648 -3.071 335 HE22 GLN 43 HE22 GLN 43 -5.769 14.582 -4.340 336 H GLU 44 H GLU 44 -9.005 8.359 -6.762 337 HA GLU 44 HA GLU 44 -7.021 6.806 -5.254 338 HB2 GLU 44 HB2 GLU 44 -7.075 5.242 -7.217 339 HB3 GLU 44 HB3 GLU 44 -8.625 5.447 -6.412 340 HG2 GLU 44 HG2 GLU 44 -9.260 7.074 -8.223 341 HG3 GLU 44 HG3 GLU 44 -7.769 6.645 -9.056 342 H VAL 45 H VAL 45 -4.929 6.410 -6.098 343 HA VAL 45 HA VAL 45 -3.709 8.915 -6.954 344 HB VAL 45 HB VAL 45 -2.375 6.417 -5.796 345 HG11 VAL 45 HG11 VAL 45 -0.442 7.894 -5.313 346 HG12 VAL 45 HG12 VAL 45 -1.260 9.240 -6.108 347 HG13 VAL 45 HG13 VAL 45 -0.778 7.825 -7.046 348 HG21 VAL 45 HG21 VAL 45 -3.978 7.363 -4.170 349 HG22 VAL 45 HG22 VAL 45 -3.225 8.951 -4.327 350 HG23 VAL 45 HG23 VAL 45 -2.316 7.610 -3.626 351 H GLU 46 H GLU 46 -3.632 9.052 -9.171 352 HA GLU 46 HA GLU 46 -2.496 6.847 -10.770 353 HB2 GLU 46 HB2 GLU 46 -4.504 8.142 -11.631 354 HB3 GLU 46 HB3 GLU 46 -3.492 9.580 -11.699 355 HG2 GLU 46 HG2 GLU 46 -1.958 8.049 -13.245 356 HG3 GLU 46 HG3 GLU 46 -3.445 7.125 -13.450 357 H GLU 47 H GLU 47 -0.574 7.252 -9.273 358 HA GLU 47 HA GLU 47 1.464 8.053 -8.690 359 HB2 GLU 47 HB2 GLU 47 1.775 8.519 -11.685 360 HB3 GLU 47 HB3 GLU 47 3.064 8.262 -10.522 361 HG2 GLU 47 HG2 GLU 47 2.942 6.189 -11.537 362 HG3 GLU 47 HG3 GLU 47 1.930 5.938 -10.118 363 H SER 48 H SER 48 1.200 9.971 -7.464 364 HA SER 48 HA SER 48 0.741 12.545 -8.707 365 HB2 SER 48 HB2 SER 48 1.611 12.015 -5.836 366 HB3 SER 48 HB3 SER 48 0.870 13.480 -6.469 367 HG SER 48 HG SER 48 -0.438 11.727 -5.313 368 H ASP 49 H ASP 49 2.590 12.318 -10.180 369 HA ASP 49 HA ASP 49 4.630 12.640 -11.051 370 HB2 ASP 49 HB2 ASP 49 4.005 14.963 -10.331 371 HB3 ASP 49 HB3 ASP 49 4.944 14.723 -8.859 372 H PHE 50 H PHE 50 5.535 13.122 -7.621 373 HA PHE 50 HA PHE 50 7.979 11.677 -7.750 374 HB2 PHE 50 HB2 PHE 50 6.276 12.595 -5.394 375 HB3 PHE 50 HB3 PHE 50 7.859 11.848 -5.201 376 HD1 PHE 50 HD2 PHE 50 6.273 14.710 -7.094 377 HD2 PHE 50 HD1 PHE 50 9.696 13.284 -4.965 378 HE1 PHE 50 HE2 PHE 50 7.352 16.906 -7.346 379 HE2 PHE 50 HE1 PHE 50 10.762 15.483 -5.222 380 HZ PHE 50 HZ PHE 50 9.595 17.296 -6.411 381 H VAL 51 H VAL 51 4.676 10.737 -6.806 382 HA VAL 51 HA VAL 51 5.254 8.303 -5.503 383 HB VAL 51 HB VAL 51 2.719 8.989 -7.058 384 HG11 VAL 51 HG11 VAL 51 1.587 7.353 -5.569 385 HG12 VAL 51 HG12 VAL 51 3.143 6.933 -4.849 386 HG13 VAL 51 HG13 VAL 51 2.835 6.584 -6.552 387 HG21 VAL 51 HG21 VAL 51 3.341 9.467 -4.123 388 HG22 VAL 51 HG22 VAL 51 1.793 9.771 -4.911 389 HG23 VAL 51 HG23 VAL 51 3.216 10.708 -5.370 390 H VAL 52 H VAL 52 6.057 6.446 -6.295 391 HA VAL 52 HA VAL 52 5.449 5.611 -9.074 392 HB VAL 52 HB VAL 52 7.540 4.227 -9.007 393 HG11 VAL 52 HG11 VAL 52 7.988 7.205 -8.550 394 HG12 VAL 52 HG12 VAL 52 7.566 6.441 -10.084 395 HG13 VAL 52 HG13 VAL 52 9.126 6.102 -9.333 396 HG21 VAL 52 HG21 VAL 52 9.277 4.662 -7.277 397 HG22 VAL 52 HG22 VAL 52 7.824 3.956 -6.567 398 HG23 VAL 52 HG23 VAL 52 8.139 5.684 -6.392 399 H LEU 53 H LEU 53 4.320 3.774 -9.342 400 HA LEU 53 HA LEU 53 3.591 2.154 -6.963 401 HB2 LEU 53 HB2 LEU 53 2.150 2.487 -9.629 402 HB3 LEU 53 HB3 LEU 53 1.594 1.474 -8.303 403 HG LEU 53 HG LEU 53 1.839 4.516 -8.225 404 HD11 LEU 53 HD11 LEU 53 -0.035 3.773 -9.621 405 HD12 LEU 53 HD12 LEU 53 -0.610 4.538 -8.143 406 HD13 LEU 53 HD13 LEU 53 -0.651 2.778 -8.298 407 HD21 LEU 53 HD21 LEU 53 0.803 2.614 -6.091 408 HD22 LEU 53 HD22 LEU 53 0.727 4.378 -6.026 409 HD23 LEU 53 HD23 LEU 53 2.289 3.565 -6.014 410 H GLU 54 H GLU 54 4.562 0.210 -6.808 411 HA GLU 54 HA GLU 54 5.515 -1.208 -9.234 412 HB2 GLU 54 HB2 GLU 54 6.346 -1.533 -6.316 413 HB3 GLU 54 HB3 GLU 54 6.995 -2.469 -7.661 414 HG2 GLU 54 HG2 GLU 54 7.895 -0.377 -8.661 415 HG3 GLU 54 HG3 GLU 54 7.276 0.535 -7.281 416 H ASN 55 H ASN 55 4.834 -3.251 -9.720 417 HA ASN 55 HA ASN 55 2.951 -4.662 -7.928 418 HB2 ASN 55 HB2 ASN 55 1.571 -3.413 -9.517 419 HB3 ASN 55 HB3 ASN 55 2.501 -4.027 -10.878 420 HD21 ASN 55 HD21 ASN 55 1.335 -5.954 -8.107 421 HD22 ASN 55 HD22 ASN 55 0.263 -6.930 -9.040 422 H GLU 56 H GLU 56 3.491 -6.739 -7.674 423 HA GLU 56 HA GLU 56 4.570 -8.320 -9.910 424 HB2 GLU 56 HB2 GLU 56 6.528 -7.629 -8.511 425 HB3 GLU 56 HB3 GLU 56 5.768 -8.326 -7.090 426 HG2 GLU 56 HG2 GLU 56 7.508 -9.798 -7.953 427 HG3 GLU 56 HG3 GLU 56 5.927 -10.568 -8.077 428 H GLY 57 H GLY 57 2.491 -9.224 -10.098 429 HA2 GLY 57 HA2 GLY 57 0.786 -10.711 -9.717 430 HA3 GLY 57 HA3 GLY 57 1.800 -11.460 -8.498 431 HA PRO 58 HA PRO 58 -1.366 -9.713 -5.720 432 HB2 PRO 58 HB2 PRO 58 -0.261 -10.964 -3.397 433 HB3 PRO 58 HB3 PRO 58 -1.594 -11.550 -4.388 434 HG2 PRO 58 HG2 PRO 58 1.005 -12.699 -4.159 435 HG3 PRO 58 HG3 PRO 58 -0.292 -13.192 -5.258 436 HD2 PRO 58 HD2 PRO 58 2.139 -11.590 -5.818 437 HD3 PRO 58 HD3 PRO 58 1.122 -12.528 -6.932 438 H HIS 59 H HIS 59 2.057 -9.246 -5.590 439 HA HIS 59 HA HIS 59 2.228 -7.495 -3.315 440 HB2 HIS 59 HB2 HIS 59 4.156 -7.881 -5.653 441 HB3 HIS 59 HB3 HIS 59 4.526 -6.995 -4.180 442 HD1 HIS 59 HD1 HIS 59 5.916 -8.326 -2.641 443 HD2 HIS 59 HD2 HIS 59 3.418 -10.767 -4.882 444 HE1 HIS 59 HE1 HIS 59 6.512 -10.671 -1.982 445 HE2 HIS 59 HE2 HIS 59 4.953 -12.131 -3.311 446 H ARG 60 H ARG 60 1.379 -5.492 -3.287 447 HA ARG 60 HA ARG 60 1.544 -3.692 -5.649 448 HB2 ARG 60 HB2 ARG 60 -0.876 -4.328 -3.912 449 HB3 ARG 60 HB3 ARG 60 -0.760 -2.779 -4.733 450 HG2 ARG 60 HG2 ARG 60 -0.625 -5.426 -6.211 451 HG3 ARG 60 HG3 ARG 60 -2.141 -4.575 -5.886 452 HD2 ARG 60 HD2 ARG 60 -1.216 -2.576 -7.093 453 HD3 ARG 60 HD3 ARG 60 0.212 -3.533 -7.508 454 HE ARG 60 HE ARG 60 -1.712 -5.084 -8.488 455 HH11 ARG 60 HH11 ARG 60 -1.358 -1.646 -8.824 456 HH12 ARG 60 HH12 ARG 60 -2.100 -1.623 -10.381 457 HH21 ARG 60 HH21 ARG 60 -2.634 -4.998 -10.515 458 HH22 ARG 60 HH22 ARG 60 -2.820 -3.476 -11.309 459 H ARG 61 H ARG 61 3.062 -2.185 -4.912 460 HA ARG 61 HA ARG 61 2.606 -1.025 -2.214 461 HB2 ARG 61 HB2 ARG 61 5.010 -0.922 -1.782 462 HB3 ARG 61 HB3 ARG 61 4.475 -2.577 -2.044 463 HG2 ARG 61 HG2 ARG 61 5.411 -2.509 -4.339 464 HG3 ARG 61 HG3 ARG 61 5.961 -0.854 -4.053 465 HD2 ARG 61 HD2 ARG 61 7.342 -1.711 -2.131 466 HD3 ARG 61 HD3 ARG 61 6.881 -3.356 -2.592 467 HE ARG 61 HE ARG 61 8.115 -1.786 -4.695 468 HH11 ARG 61 HH11 ARG 61 8.712 -4.041 -2.131 469 HH12 ARG 61 HH12 ARG 61 10.261 -4.486 -2.750 470 HH21 ARG 61 HH21 ARG 61 10.105 -2.337 -5.433 471 HH22 ARG 61 HH22 ARG 61 11.046 -3.522 -4.593 472 H LEU 62 H LEU 62 2.646 1.077 -1.981 473 HA LEU 62 HA LEU 62 3.178 2.878 -4.243 474 HB2 LEU 62 HB2 LEU 62 0.992 2.991 -3.120 475 HB3 LEU 62 HB3 LEU 62 1.755 3.291 -1.577 476 HG LEU 62 HG LEU 62 2.261 5.308 -3.769 477 HD11 LEU 62 HD11 LEU 62 -0.160 4.919 -4.014 478 HD12 LEU 62 HD12 LEU 62 0.165 6.515 -3.343 479 HD13 LEU 62 HD13 LEU 62 -0.392 5.213 -2.288 480 HD21 LEU 62 HD21 LEU 62 1.698 5.624 -0.802 481 HD22 LEU 62 HD22 LEU 62 2.173 6.910 -1.918 482 HD23 LEU 62 HD23 LEU 62 3.297 5.603 -1.553 483 H VAL 63 H VAL 63 5.255 3.527 -4.328 484 HA VAL 63 HA VAL 63 6.790 3.956 -1.836 485 HB VAL 63 HB VAL 63 7.809 3.455 -4.668 486 HG11 VAL 63 HG11 VAL 63 9.421 4.813 -3.411 487 HG12 VAL 63 HG12 VAL 63 10.049 3.179 -3.629 488 HG13 VAL 63 HG13 VAL 63 9.381 3.663 -2.069 489 HG21 VAL 63 HG21 VAL 63 7.754 1.558 -2.282 490 HG22 VAL 63 HG22 VAL 63 8.478 1.218 -3.856 491 HG23 VAL 63 HG23 VAL 63 6.734 1.442 -3.722 492 H LEU 64 H LEU 64 7.496 5.911 -1.318 493 HA LEU 64 HA LEU 64 7.381 8.158 -3.228 494 HB2 LEU 64 HB2 LEU 64 6.612 7.924 -0.374 495 HB3 LEU 64 HB3 LEU 64 7.610 9.325 -0.690 496 HG LEU 64 HG LEU 64 5.305 9.997 -0.797 497 HD11 LEU 64 HD11 LEU 64 6.826 11.077 -2.376 498 HD12 LEU 64 HD12 LEU 64 5.189 10.994 -3.018 499 HD13 LEU 64 HD13 LEU 64 6.427 9.881 -3.613 500 HD21 LEU 64 HD21 LEU 64 4.864 7.855 -2.899 501 HD22 LEU 64 HD22 LEU 64 3.677 9.046 -2.356 502 HD23 LEU 64 HD23 LEU 64 4.273 7.827 -1.234 503 HA PRO 65 HA PRO 65 11.937 8.420 -2.568 504 HB2 PRO 65 HB2 PRO 65 12.286 10.382 -4.483 505 HB3 PRO 65 HB3 PRO 65 12.258 8.656 -4.847 506 HG2 PRO 65 HG2 PRO 65 10.039 10.679 -5.094 507 HG3 PRO 65 HG3 PRO 65 10.531 9.417 -6.246 508 HD2 PRO 65 HD2 PRO 65 8.411 9.090 -4.606 509 HD3 PRO 65 HD3 PRO 65 9.465 7.722 -5.035 510 H ALA 66 H ALA 66 9.559 11.105 -2.869 511 HA ALA 66 HA ALA 66 10.681 12.406 -0.470 512 HB1 ALA 66 HB1 ALA 66 10.128 13.929 -3.042 513 HB2 ALA 66 HB2 ALA 66 11.724 13.542 -2.399 514 HB3 ALA 66 HB3 ALA 66 10.657 14.625 -1.505 515 H THR 67 H THR 67 9.023 12.298 0.895 516 HA THR 67 HA THR 67 6.245 12.289 0.120 517 HB THR 67 HB THR 67 5.899 12.195 2.686 518 HG1 THR 67 HG1 THR 67 7.766 12.952 3.521 519 HG21 THR 67 HG21 THR 67 5.804 10.174 1.293 520 HG22 THR 67 HG22 THR 67 6.557 9.843 2.857 521 HG23 THR 67 HG23 THR 67 7.561 10.005 1.415 522 H GLN 68 H GLN 68 5.891 14.349 -0.749 523 HA GLN 68 HA GLN 68 6.276 16.797 0.754 524 HB2 GLN 68 HB2 GLN 68 4.618 16.318 -1.758 525 HB3 GLN 68 HB3 GLN 68 5.183 17.876 -1.156 526 HG2 GLN 68 HG2 GLN 68 7.544 17.074 -1.532 527 HG3 GLN 68 HG3 GLN 68 6.877 15.633 -2.306 528 HE21 GLN 68 HE21 GLN 68 5.604 15.950 -4.244 529 HE22 GLN 68 HE22 GLN 68 5.889 17.321 -5.251 530 HA PRO 69 HA PRO 69 2.238 17.052 2.888 531 HB2 PRO 69 HB2 PRO 69 1.414 19.659 2.347 532 HB3 PRO 69 HB3 PRO 69 2.602 19.229 3.583 533 HG2 PRO 69 HG2 PRO 69 3.062 20.201 0.764 534 HG3 PRO 69 HG3 PRO 69 3.872 20.699 2.265 535 HD2 PRO 69 HD2 PRO 69 5.049 18.981 0.571 536 HD3 PRO 69 HD3 PRO 69 5.214 18.773 2.329 537 H SER 70 H SER 70 2.467 17.737 -0.523 538 HA SER 70 HA SER 70 -0.113 17.533 -1.501 539 HB2 SER 70 HB2 SER 70 1.737 17.854 -3.027 540 HB3 SER 70 HB3 SER 70 2.488 16.337 -2.537 541 HG SER 70 HG SER 70 1.121 15.230 -3.759 542 H ASP 71 H ASP 71 2.047 14.847 -0.561 543 HA ASP 71 HA ASP 71 -0.205 12.942 -0.660 544 HB2 ASP 71 HB2 ASP 71 2.783 12.501 -0.879 545 HB3 ASP 71 HB3 ASP 71 1.628 11.179 -0.690 546 H GLY 72 H GLY 72 0.531 14.872 1.570 547 HA2 GLY 72 HA2 GLY 72 0.881 13.131 3.857 548 HA3 GLY 72 HA3 GLY 72 0.450 14.831 3.883 549 H GLY 73 H GLY 73 -0.666 12.207 5.123 550 HA2 GLY 73 HA2 GLY 73 -3.018 12.475 6.016 551 HA3 GLY 73 HA3 GLY 73 -3.512 12.483 4.323 552 H GLU 74 H GLU 74 -4.820 10.623 5.019 553 HA GLU 74 HA GLU 74 -3.372 8.116 5.520 554 HB2 GLU 74 HB2 GLU 74 -6.332 8.817 5.608 555 HB3 GLU 74 HB3 GLU 74 -5.729 7.173 5.801 556 HG2 GLU 74 HG2 GLU 74 -6.068 7.945 7.998 557 HG3 GLU 74 HG3 GLU 74 -4.331 8.029 7.742 558 H PHE 75 H PHE 75 -3.546 6.303 4.196 559 HA PHE 75 HA PHE 75 -4.585 6.683 1.439 560 HB2 PHE 75 HB2 PHE 75 -2.140 5.122 2.402 561 HB3 PHE 75 HB3 PHE 75 -2.798 4.973 0.776 562 HD1 PHE 75 HD2 PHE 75 -1.210 7.377 3.151 563 HD2 PHE 75 HD1 PHE 75 -2.284 6.601 -0.915 564 HE1 PHE 75 HE2 PHE 75 0.128 9.307 2.424 565 HE2 PHE 75 HE1 PHE 75 -0.945 8.535 -1.633 566 HZ PHE 75 HZ PHE 75 0.262 9.890 0.033 567 H GLN 76 H GLN 76 -5.663 4.904 0.470 568 HA GLN 76 HA GLN 76 -6.505 2.706 2.282 569 HB2 GLN 76 HB2 GLN 76 -8.265 4.396 2.354 570 HB3 GLN 76 HB3 GLN 76 -8.327 4.477 0.596 571 HG2 GLN 76 HG2 GLN 76 -9.130 2.105 0.554 572 HG3 GLN 76 HG3 GLN 76 -9.131 2.104 2.319 573 HE21 GLN 76 HE21 GLN 76 -10.670 3.411 -0.543 574 HE22 GLN 76 HE22 GLN 76 -12.112 3.940 0.241 575 H CYS 77 H CYS 77 -5.749 0.907 1.328 576 HA CYS 77 HA CYS 77 -5.712 0.521 -1.557 577 HB2 CYS 77 HB2 CYS 77 -5.067 -1.428 0.693 578 HB3 CYS 77 HB3 CYS 77 -4.684 -1.642 -1.017 579 HG CYS 77 HG CYS 77 -2.630 -0.026 -1.154 580 H VAL 78 H VAL 78 -7.564 -0.154 -2.629 581 HA VAL 78 HA VAL 78 -9.599 -1.717 -1.113 582 HB VAL 78 HB VAL 78 -9.986 -0.089 -3.671 583 HG11 VAL 78 HG11 VAL 78 -11.535 -2.007 -3.616 584 HG12 VAL 78 HG12 VAL 78 -12.417 -0.506 -3.346 585 HG13 VAL 78 HG13 VAL 78 -12.056 -1.571 -1.986 586 HG21 VAL 78 HG21 VAL 78 -9.614 1.355 -1.703 587 HG22 VAL 78 HG22 VAL 78 -10.883 0.507 -0.816 588 HG23 VAL 78 HG23 VAL 78 -11.292 1.464 -2.242 589 H ALA 79 H ALA 79 -9.360 -3.836 -1.424 590 HA ALA 79 HA ALA 79 -8.401 -5.022 -3.917 591 HB1 ALA 79 HB1 ALA 79 -8.529 -7.148 -2.684 592 HB2 ALA 79 HB2 ALA 79 -9.313 -6.324 -1.332 593 HB3 ALA 79 HB3 ALA 79 -7.652 -5.923 -1.766 594 H GLY 80 H GLY 80 -11.429 -4.752 -2.131 595 HA2 GLY 80 HA2 GLY 80 -13.444 -4.731 -3.739 596 HA3 GLY 80 HA3 GLY 80 -12.913 -6.363 -4.140 597 H ASP 81 H ASP 81 -12.383 -7.647 -1.979 598 HA ASP 81 HA ASP 81 -14.797 -7.991 -0.466 599 HB2 ASP 81 HB2 ASP 81 -13.333 -9.890 -1.024 600 HB3 ASP 81 HB3 ASP 81 -11.996 -9.154 -0.160 601 H GLU 82 H GLU 82 -11.475 -6.933 0.447 602 HA GLU 82 HA GLU 82 -12.614 -5.218 2.587 603 HB2 GLU 82 HB2 GLU 82 -10.235 -7.103 2.844 604 HB3 GLU 82 HB3 GLU 82 -10.528 -5.776 3.972 605 HG2 GLU 82 HG2 GLU 82 -12.705 -6.750 4.564 606 HG3 GLU 82 HG3 GLU 82 -12.419 -8.085 3.448 607 H CYS 83 H CYS 83 -10.865 -3.732 3.503 608 HA CYS 83 HA CYS 83 -9.145 -2.575 1.405 609 HB2 CYS 83 HB2 CYS 83 -11.115 -0.988 3.108 610 HB3 CYS 83 HB3 CYS 83 -9.963 -0.303 1.960 611 HG CYS 83 HG CYS 83 -12.685 -2.242 1.234 612 H ALA 84 H ALA 84 -7.170 -2.053 2.129 613 HA ALA 84 HA ALA 84 -6.506 -2.201 4.989 614 HB1 ALA 84 HB1 ALA 84 -4.168 -2.269 4.200 615 HB2 ALA 84 HB2 ALA 84 -4.719 -2.045 2.537 616 HB3 ALA 84 HB3 ALA 84 -5.150 -3.508 3.420 617 H TYR 85 H TYR 85 -5.175 -0.524 5.987 618 HA TYR 85 HA TYR 85 -5.496 2.161 4.762 619 HB2 TYR 85 HB2 TYR 85 -5.974 1.574 7.713 620 HB3 TYR 85 HB3 TYR 85 -6.213 3.107 6.880 621 HD1 TYR 85 HD2 TYR 85 -8.043 3.151 4.979 622 HD2 TYR 85 HD1 TYR 85 -7.798 0.078 7.944 623 HE1 TYR 85 HE2 TYR 85 -10.386 2.533 4.543 624 HE2 TYR 85 HE1 TYR 85 -10.132 -0.536 7.497 625 HH TYR 85 HH TYR 85 -12.157 0.488 6.607 626 H PHE 86 H PHE 86 -3.831 3.469 4.919 627 HA PHE 86 HA PHE 86 -1.639 3.016 6.869 628 HB2 PHE 86 HB2 PHE 86 -1.457 4.278 4.080 629 HB3 PHE 86 HB3 PHE 86 -0.121 4.105 5.216 630 HD1 PHE 86 HD1 PHE 86 -2.368 2.285 2.911 631 HD2 PHE 86 HD2 PHE 86 0.979 1.945 5.549 632 HE1 PHE 86 HE1 PHE 86 -1.876 0.051 2.013 633 HE2 PHE 86 HE2 PHE 86 1.466 -0.282 4.633 634 HZ PHE 86 HZ PHE 86 0.037 -1.230 2.870 635 H THR 87 H THR 87 -0.810 4.980 7.824 636 HA THR 87 HA THR 87 -2.479 7.421 7.502 637 HB THR 87 HB THR 87 -1.667 6.159 10.176 638 HG1 THR 87 HG1 THR 87 -3.957 5.998 8.618 639 HG21 THR 87 HG21 THR 87 -3.030 7.930 11.234 640 HG22 THR 87 HG22 THR 87 -3.318 8.665 9.657 641 HG23 THR 87 HG23 THR 87 -1.686 8.633 10.329 642 H VAL 88 H VAL 88 -0.948 8.738 6.561 643 HA VAL 88 HA VAL 88 1.822 8.721 7.637 644 HB VAL 88 HB VAL 88 0.944 9.719 4.883 645 HG11 VAL 88 HG11 VAL 88 3.722 9.088 5.973 646 HG12 VAL 88 HG12 VAL 88 3.066 10.699 5.673 647 HG13 VAL 88 HG13 VAL 88 3.355 9.604 4.323 648 HG21 VAL 88 HG21 VAL 88 2.139 7.001 5.583 649 HG22 VAL 88 HG22 VAL 88 1.849 7.605 3.950 650 HG23 VAL 88 HG23 VAL 88 0.488 7.299 5.028 651 H THR 89 H THR 89 1.781 10.272 9.218 652 HA THR 89 HA THR 89 0.645 12.922 8.811 653 HB THR 89 HB THR 89 2.447 11.924 11.075 654 HG1 THR 89 HG1 THR 89 0.529 11.589 12.199 655 HG21 THR 89 HG21 THR 89 0.660 14.395 10.948 656 HG22 THR 89 HG22 THR 89 2.426 14.403 10.933 657 HG23 THR 89 HG23 THR 89 1.560 13.846 12.365 658 H ILE 90 H ILE 90 1.711 14.274 7.409 659 HA ILE 90 HA ILE 90 4.686 14.329 7.393 660 HB ILE 90 HB ILE 90 2.741 15.187 5.201 661 HG12 ILE 90 HG12 ILE 90 4.669 12.818 5.356 662 HG13 ILE 90 HG13 ILE 90 2.913 12.724 5.434 663 HG21 ILE 90 HG21 ILE 90 4.734 15.571 3.784 664 HG22 ILE 90 HG22 ILE 90 5.788 15.203 5.150 665 HG23 ILE 90 HG23 ILE 90 4.750 16.629 5.195 666 HD11 ILE 90 HD11 ILE 90 3.677 12.031 3.278 667 HD12 ILE 90 HD12 ILE 90 4.581 13.529 3.057 668 HD13 ILE 90 HD13 ILE 90 2.819 13.562 3.103 Start of MODEL 4 1 H HIS 1 H1 HIS 1 -16.171 -11.000 -11.091 2 HA HIS 1 HA HIS 1 -17.018 -9.569 -9.341 3 HB2 HIS 1 HB2 HIS 1 -17.746 -11.948 -9.557 4 HB3 HIS 1 HB3 HIS 1 -16.478 -12.434 -8.441 5 HD1 HIS 1 HD1 HIS 1 -17.014 -12.316 -5.975 6 HD2 HIS 1 HD2 HIS 1 -19.899 -10.447 -8.311 7 HE1 HIS 1 HE1 HIS 1 -18.883 -11.756 -4.403 8 HE2 HIS 1 HE2 HIS 1 -20.674 -10.770 -5.859 9 H MET 2 H MET 2 -13.833 -9.745 -9.155 10 HA MET 2 HA MET 2 -12.118 -9.584 -7.677 11 HB2 MET 2 HB2 MET 2 -12.133 -7.437 -6.410 12 HB3 MET 2 HB3 MET 2 -12.685 -7.269 -8.068 13 HG2 MET 2 HG2 MET 2 -15.008 -7.123 -7.287 14 HG3 MET 2 HG3 MET 2 -14.465 -7.319 -5.622 15 HE1 MET 2 HE1 MET 2 -12.766 -5.162 -8.520 16 HE2 MET 2 HE2 MET 2 -13.509 -3.593 -8.216 17 HE3 MET 2 HE3 MET 2 -14.498 -4.940 -8.781 18 HA PRO 3 HA PRO 3 -13.711 -11.725 -3.849 19 HB2 PRO 3 HB2 PRO 3 -13.132 -14.295 -4.390 20 HB3 PRO 3 HB3 PRO 3 -14.544 -13.516 -5.116 21 HG2 PRO 3 HG2 PRO 3 -11.890 -14.167 -6.354 22 HG3 PRO 3 HG3 PRO 3 -13.507 -14.191 -7.083 23 HD2 PRO 3 HD2 PRO 3 -11.589 -12.087 -7.271 24 HD3 PRO 3 HD3 PRO 3 -13.283 -12.017 -7.793 25 H VAL 4 H VAL 4 -11.887 -10.384 -3.030 26 HA VAL 4 HA VAL 4 -9.471 -11.902 -2.388 27 HB VAL 4 HB VAL 4 -8.761 -10.992 -4.481 28 HG11 VAL 4 HG11 VAL 4 -8.844 -8.590 -5.080 29 HG12 VAL 4 HG12 VAL 4 -9.714 -8.246 -3.581 30 HG13 VAL 4 HG13 VAL 4 -10.460 -9.258 -4.820 31 HG21 VAL 4 HG21 VAL 4 -6.854 -9.560 -3.848 32 HG22 VAL 4 HG22 VAL 4 -7.074 -10.864 -2.681 33 HG23 VAL 4 HG23 VAL 4 -7.602 -9.227 -2.284 34 H HIS 5 H HIS 5 -9.162 -11.678 -0.320 35 HA HIS 5 HA HIS 5 -9.806 -9.258 1.196 36 HB2 HIS 5 HB2 HIS 5 -8.731 -11.999 1.994 37 HB3 HIS 5 HB3 HIS 5 -8.920 -10.677 3.144 38 HD1 HIS 5 HD1 HIS 5 -11.168 -10.349 4.149 39 HD2 HIS 5 HD2 HIS 5 -11.298 -12.896 0.865 40 HE1 HIS 5 HE1 HIS 5 -13.509 -11.239 4.087 41 HE2 HIS 5 HE2 HIS 5 -13.583 -12.739 2.070 42 H ILE 6 H ILE 6 -8.095 -8.411 2.745 43 HA ILE 6 HA ILE 6 -5.492 -8.152 1.328 44 HB ILE 6 HB ILE 6 -6.766 -6.310 3.405 45 HG12 ILE 6 HG12 ILE 6 -6.410 -6.014 0.382 46 HG13 ILE 6 HG13 ILE 6 -7.937 -6.226 1.232 47 HG21 ILE 6 HG21 ILE 6 -4.314 -6.236 3.575 48 HG22 ILE 6 HG22 ILE 6 -4.918 -4.736 2.873 49 HG23 ILE 6 HG23 ILE 6 -4.177 -5.958 1.837 50 HD11 ILE 6 HD11 ILE 6 -6.116 -3.832 1.404 51 HD12 ILE 6 HD12 ILE 6 -7.635 -4.034 2.284 52 HD13 ILE 6 HD13 ILE 6 -7.637 -3.950 0.523 53 H VAL 7 H VAL 7 -4.524 -10.026 2.108 54 HA VAL 7 HA VAL 7 -4.587 -10.964 4.770 55 HB VAL 7 HB VAL 7 -2.706 -12.474 4.096 56 HG11 VAL 7 HG11 VAL 7 -4.960 -12.259 2.053 57 HG12 VAL 7 HG12 VAL 7 -5.030 -13.113 3.597 58 HG13 VAL 7 HG13 VAL 7 -3.954 -13.687 2.324 59 HG21 VAL 7 HG21 VAL 7 -2.760 -10.948 1.449 60 HG22 VAL 7 HG22 VAL 7 -1.846 -12.426 1.764 61 HG23 VAL 7 HG23 VAL 7 -1.436 -10.939 2.622 62 H ASP 8 H ASP 8 -2.529 -8.592 3.277 63 HA ASP 8 HA ASP 8 -1.307 -7.945 5.863 64 HB2 ASP 8 HB2 ASP 8 0.404 -9.301 4.846 65 HB3 ASP 8 HB3 ASP 8 0.202 -8.516 3.290 66 HA PRO 9 HA PRO 9 -1.108 -6.405 7.065 67 HB2 PRO 9 HB2 PRO 9 -1.963 -4.173 8.286 68 HB3 PRO 9 HB3 PRO 9 -0.439 -4.181 7.381 69 HG2 PRO 9 HG2 PRO 9 -3.155 -3.182 6.512 70 HG3 PRO 9 HG3 PRO 9 -1.570 -2.393 6.348 71 HD2 PRO 9 HD2 PRO 9 -2.783 -3.838 4.319 72 HD3 PRO 9 HD3 PRO 9 -1.025 -3.613 4.451 73 H ARG 10 H ARG 10 -2.487 -6.782 8.917 74 HA ARG 10 HA ARG 10 -5.393 -7.035 8.388 75 HB2 ARG 10 HB2 ARG 10 -3.549 -8.413 10.387 76 HB3 ARG 10 HB3 ARG 10 -5.300 -8.592 10.420 77 HG2 ARG 10 HG2 ARG 10 -3.574 -9.362 8.034 78 HG3 ARG 10 HG3 ARG 10 -4.047 -10.483 9.310 79 HD2 ARG 10 HD2 ARG 10 -5.533 -10.777 7.415 80 HD3 ARG 10 HD3 ARG 10 -6.447 -10.068 8.749 81 HE ARG 10 HE ARG 10 -5.360 -8.299 6.672 82 HH11 ARG 10 HH11 ARG 10 -8.200 -9.754 8.022 83 HH12 ARG 10 HH12 ARG 10 -9.254 -8.669 7.190 84 HH21 ARG 10 HH21 ARG 10 -6.725 -6.924 5.688 85 HH22 ARG 10 HH22 ARG 10 -8.435 -7.095 5.896 86 H GLU 11 H GLU 11 -4.082 -4.532 9.056 87 HA GLU 11 HA GLU 11 -5.471 -3.646 11.448 88 HB2 GLU 11 HB2 GLU 11 -3.379 -2.875 12.576 89 HB3 GLU 11 HB3 GLU 11 -3.428 -4.632 12.417 90 HG2 GLU 11 HG2 GLU 11 -1.941 -4.467 10.428 91 HG3 GLU 11 HG3 GLU 11 -1.851 -2.722 10.653 92 H HIS 12 H HIS 12 -4.668 -1.266 11.900 93 HA HIS 12 HA HIS 12 -4.567 0.255 9.358 94 HB2 HIS 12 HB2 HIS 12 -5.326 1.271 12.142 95 HB3 HIS 12 HB3 HIS 12 -5.570 2.095 10.601 96 HD1 HIS 12 HD1 HIS 12 -7.149 -0.279 12.929 97 HD2 HIS 12 HD2 HIS 12 -7.648 0.872 8.968 98 HE1 HIS 12 HE1 HIS 12 -9.410 -1.134 12.260 99 HE2 HIS 12 HE2 HIS 12 -9.760 -0.273 9.924 100 H VAL 13 H VAL 13 -2.433 0.589 8.873 101 HA VAL 13 HA VAL 13 -0.410 0.616 10.983 102 HB VAL 13 HB VAL 13 -0.024 0.663 7.953 103 HG11 VAL 13 HG11 VAL 13 2.281 -0.141 8.434 104 HG12 VAL 13 HG12 VAL 13 1.977 0.024 10.165 105 HG13 VAL 13 HG13 VAL 13 1.988 1.454 9.132 106 HG21 VAL 13 HG21 VAL 13 0.385 -1.769 8.133 107 HG22 VAL 13 HG22 VAL 13 -1.249 -1.353 8.654 108 HG23 VAL 13 HG23 VAL 13 -0.007 -1.714 9.856 109 H PHE 14 H PHE 14 0.294 2.460 11.868 110 HA PHE 14 HA PHE 14 0.064 5.040 10.507 111 HB2 PHE 14 HB2 PHE 14 1.188 4.323 13.263 112 HB3 PHE 14 HB3 PHE 14 0.949 5.961 12.658 113 HD1 PHE 14 HD1 PHE 14 -0.777 2.915 13.876 114 HD2 PHE 14 HD2 PHE 14 -1.290 6.950 12.549 115 HE1 PHE 14 HE1 PHE 14 -3.092 2.901 14.714 116 HE2 PHE 14 HE2 PHE 14 -3.602 6.930 13.396 117 HZ PHE 14 HZ PHE 14 -4.507 4.908 14.476 118 H VAL 15 H VAL 15 1.554 5.463 8.996 119 HA VAL 15 HA VAL 15 4.331 4.497 9.211 120 HB VAL 15 HB VAL 15 2.861 5.725 6.824 121 HG11 VAL 15 HG11 VAL 15 5.569 4.342 6.935 122 HG12 VAL 15 HG12 VAL 15 5.280 6.056 6.630 123 HG13 VAL 15 HG13 VAL 15 4.742 4.851 5.459 124 HG21 VAL 15 HG21 VAL 15 3.445 2.789 7.412 125 HG22 VAL 15 HG22 VAL 15 2.742 3.414 5.918 126 HG23 VAL 15 HG23 VAL 15 1.855 3.561 7.436 127 H HIS 16 H HIS 16 5.529 5.926 10.366 128 HA HIS 16 HA HIS 16 5.029 8.765 10.434 129 HB2 HIS 16 HB2 HIS 16 7.289 7.131 11.665 130 HB3 HIS 16 HB3 HIS 16 6.945 8.828 12.016 131 HD1 HIS 16 HD1 HIS 16 5.777 5.364 12.766 132 HD2 HIS 16 HD2 HIS 16 4.605 9.268 13.586 133 HE1 HIS 16 HE1 HIS 16 4.013 5.173 14.530 134 HE2 HIS 16 HE2 HIS 16 3.224 7.528 14.913 135 H ALA 17 H ALA 17 6.153 10.386 9.405 136 HA ALA 17 HA ALA 17 8.352 9.765 7.565 137 HB1 ALA 17 HB1 ALA 17 6.307 9.193 6.310 138 HB2 ALA 17 HB2 ALA 17 7.117 10.589 5.598 139 HB3 ALA 17 HB3 ALA 17 5.671 10.816 6.589 140 H ILE 18 H ILE 18 9.173 11.682 6.446 141 HA ILE 18 HA ILE 18 8.644 14.299 7.770 142 HB ILE 18 HB ILE 18 11.393 13.241 6.925 143 HG12 ILE 18 HG12 ILE 18 10.328 13.597 9.772 144 HG13 ILE 18 HG13 ILE 18 10.517 12.050 8.954 145 HG21 ILE 18 HG21 ILE 18 11.252 15.689 6.741 146 HG22 ILE 18 HG22 ILE 18 12.330 15.234 8.060 147 HG23 ILE 18 HG23 ILE 18 10.695 15.801 8.412 148 HD11 ILE 18 HD11 ILE 18 12.738 13.944 9.710 149 HD12 ILE 18 HD12 ILE 18 12.941 12.406 8.867 150 HD13 ILE 18 HD13 ILE 18 12.316 12.432 10.515 151 H THR 19 H THR 19 9.125 16.184 6.329 152 HA THR 19 HA THR 19 8.287 15.976 3.650 153 HB THR 19 HB THR 19 9.144 18.331 3.380 154 HG1 THR 19 HG1 THR 19 10.614 19.064 4.706 155 HG21 THR 19 HG21 THR 19 6.909 18.010 4.376 156 HG22 THR 19 HG22 THR 19 7.724 19.398 5.098 157 HG23 THR 19 HG23 THR 19 7.633 17.873 5.981 158 H SER 20 H SER 20 9.364 15.865 1.702 159 HA SER 20 HA SER 20 10.909 15.435 0.122 160 HB2 SER 20 HB2 SER 20 12.806 16.763 2.089 161 HB3 SER 20 HB3 SER 20 13.274 16.301 0.451 162 HG SER 20 HG SER 20 12.148 17.918 -0.340 163 H GLU 21 H GLU 21 10.545 13.499 2.542 164 HA GLU 21 HA GLU 21 12.883 11.750 2.050 165 HB2 GLU 21 HB2 GLU 21 10.708 11.609 4.181 166 HB3 GLU 21 HB3 GLU 21 12.043 10.466 4.026 167 HG2 GLU 21 HG2 GLU 21 12.277 13.429 4.648 168 HG3 GLU 21 HG3 GLU 21 12.471 12.105 5.793 169 H CYS 22 H CYS 22 12.106 9.267 2.281 170 HA CYS 22 HA CYS 22 10.202 8.845 0.048 171 HB2 CYS 22 HB2 CYS 22 12.521 7.101 0.966 172 HB3 CYS 22 HB3 CYS 22 11.434 6.724 -0.371 173 HG CYS 22 HG CYS 22 12.659 9.726 -0.832 174 H VAL 23 H VAL 23 8.326 7.881 0.456 175 HA VAL 23 HA VAL 23 7.945 6.182 2.871 176 HB VAL 23 HB VAL 23 5.836 7.744 1.294 177 HG11 VAL 23 HG11 VAL 23 5.522 6.122 3.852 178 HG12 VAL 23 HG12 VAL 23 4.859 5.709 2.270 179 HG13 VAL 23 HG13 VAL 23 4.266 7.134 3.127 180 HG21 VAL 23 HG21 VAL 23 7.004 8.316 4.046 181 HG22 VAL 23 HG22 VAL 23 5.673 9.201 3.297 182 HG23 VAL 23 HG23 VAL 23 7.285 9.260 2.580 183 H MET 24 H MET 24 7.398 4.055 2.565 184 HA MET 24 HA MET 24 6.430 3.165 -0.101 185 HB2 MET 24 HB2 MET 24 8.829 2.598 0.186 186 HB3 MET 24 HB3 MET 24 8.457 1.722 1.662 187 HG2 MET 24 HG2 MET 24 7.139 0.091 0.380 188 HG3 MET 24 HG3 MET 24 7.476 0.986 -1.108 189 HE1 MET 24 HE1 MET 24 11.399 0.487 -1.414 190 HE2 MET 24 HE2 MET 24 10.578 1.826 -0.612 191 HE3 MET 24 HE3 MET 24 9.972 1.217 -2.153 192 H LEU 25 H LEU 25 4.324 2.938 0.428 193 HA LEU 25 HA LEU 25 3.325 1.557 2.762 194 HB2 LEU 25 HB2 LEU 25 1.826 2.368 0.246 195 HB3 LEU 25 HB3 LEU 25 1.125 2.011 1.823 196 HG LEU 25 HG LEU 25 2.923 4.386 1.194 197 HD11 LEU 25 HD11 LEU 25 0.913 5.754 1.385 198 HD12 LEU 25 HD12 LEU 25 -0.076 4.309 1.616 199 HD13 LEU 25 HD13 LEU 25 0.757 4.578 0.081 200 HD21 LEU 25 HD21 LEU 25 1.402 3.722 3.743 201 HD22 LEU 25 HD22 LEU 25 2.278 5.221 3.422 202 HD23 LEU 25 HD23 LEU 25 3.155 3.700 3.532 203 H ALA 26 H ALA 26 3.874 -0.632 2.736 204 HA ALA 26 HA ALA 26 3.539 -2.255 0.312 205 HB1 ALA 26 HB1 ALA 26 4.609 -4.045 1.637 206 HB2 ALA 26 HB2 ALA 26 4.604 -2.997 3.059 207 HB3 ALA 26 HB3 ALA 26 5.574 -2.567 1.649 208 H CYS 27 H CYS 27 1.619 -3.221 -0.097 209 HA CYS 27 HA CYS 27 -0.008 -4.323 2.126 210 HB2 CYS 27 HB2 CYS 27 -1.094 -2.244 1.360 211 HB3 CYS 27 HB3 CYS 27 -1.075 -2.819 -0.304 212 HG CYS 27 HG CYS 27 -2.558 -5.117 1.435 213 H GLU 28 H GLU 28 0.025 -6.488 1.849 214 HA GLU 28 HA GLU 28 0.111 -7.660 -0.855 215 HB2 GLU 28 HB2 GLU 28 1.740 -8.394 0.912 216 HB3 GLU 28 HB3 GLU 28 0.397 -9.055 1.828 217 HG2 GLU 28 HG2 GLU 28 -0.097 -10.607 -0.037 218 HG3 GLU 28 HG3 GLU 28 1.278 -9.955 -0.931 219 H VAL 29 H VAL 29 -1.524 -8.842 -1.682 220 HA VAL 29 HA VAL 29 -4.078 -8.980 -0.195 221 HB VAL 29 HB VAL 29 -5.186 -8.855 -2.433 222 HG11 VAL 29 HG11 VAL 29 -4.891 -6.808 -1.089 223 HG12 VAL 29 HG12 VAL 29 -4.796 -6.447 -2.812 224 HG13 VAL 29 HG13 VAL 29 -3.320 -6.519 -1.845 225 HG21 VAL 29 HG21 VAL 29 -3.377 -9.755 -3.853 226 HG22 VAL 29 HG22 VAL 29 -2.380 -8.339 -3.515 227 HG23 VAL 29 HG23 VAL 29 -3.878 -8.164 -4.433 228 H ASP 30 H ASP 30 -5.573 -10.725 -1.047 229 HA ASP 30 HA ASP 30 -4.281 -13.224 -0.507 230 HB2 ASP 30 HB2 ASP 30 -6.467 -12.557 0.446 231 HB3 ASP 30 HB3 ASP 30 -7.178 -12.576 -1.160 232 H ARG 31 H ARG 31 -5.595 -11.726 -3.427 233 HA ARG 31 HA ARG 31 -5.138 -14.181 -5.023 234 HB2 ARG 31 HB2 ARG 31 -7.174 -12.031 -5.172 235 HB3 ARG 31 HB3 ARG 31 -6.418 -12.318 -6.724 236 HG2 ARG 31 HG2 ARG 31 -8.462 -13.618 -6.534 237 HG3 ARG 31 HG3 ARG 31 -7.067 -14.691 -6.634 238 HD2 ARG 31 HD2 ARG 31 -7.164 -15.013 -4.168 239 HD3 ARG 31 HD3 ARG 31 -8.598 -13.979 -4.108 240 HE ARG 31 HE ARG 31 -9.050 -16.058 -5.953 241 HH11 ARG 31 HH11 ARG 31 -8.774 -15.660 -2.523 242 HH12 ARG 31 HH12 ARG 31 -9.733 -17.057 -2.193 243 HH21 ARG 31 HH21 ARG 31 -10.265 -17.829 -5.480 244 HH22 ARG 31 HH22 ARG 31 -10.567 -18.260 -3.833 245 H GLU 32 H GLU 32 -3.514 -14.230 -6.523 246 HA GLU 32 HA GLU 32 -1.586 -12.190 -6.857 247 HB2 GLU 32 HB2 GLU 32 -1.010 -14.493 -7.382 248 HB3 GLU 32 HB3 GLU 32 -2.285 -14.598 -8.592 249 HG2 GLU 32 HG2 GLU 32 -1.094 -12.992 -10.021 250 HG3 GLU 32 HG3 GLU 32 0.163 -12.816 -8.796 251 H ASP 33 H ASP 33 -4.402 -13.092 -8.864 252 HA ASP 33 HA ASP 33 -4.083 -10.781 -10.642 253 HB2 ASP 33 HB2 ASP 33 -4.706 -13.045 -11.533 254 HB3 ASP 33 HB3 ASP 33 -6.194 -12.987 -10.596 255 H ALA 34 H ALA 34 -4.332 -9.634 -8.333 256 HA ALA 34 HA ALA 34 -7.160 -8.772 -8.018 257 HB1 ALA 34 HB1 ALA 34 -6.283 -9.901 -6.016 258 HB2 ALA 34 HB2 ALA 34 -6.639 -8.204 -5.696 259 HB3 ALA 34 HB3 ALA 34 -4.969 -8.730 -5.924 260 HA PRO 35 HA PRO 35 -5.201 -4.828 -9.430 261 HB2 PRO 35 HB2 PRO 35 -7.434 -3.743 -10.545 262 HB3 PRO 35 HB3 PRO 35 -6.470 -4.966 -11.385 263 HG2 PRO 35 HG2 PRO 35 -9.030 -5.308 -9.823 264 HG3 PRO 35 HG3 PRO 35 -8.586 -5.991 -11.402 265 HD2 PRO 35 HD2 PRO 35 -8.405 -7.406 -9.059 266 HD3 PRO 35 HD3 PRO 35 -7.337 -7.704 -10.450 267 H VAL 36 H VAL 36 -4.817 -3.958 -7.387 268 HA VAL 36 HA VAL 36 -6.924 -3.104 -5.598 269 HB VAL 36 HB VAL 36 -5.144 -2.219 -4.151 270 HG11 VAL 36 HG11 VAL 36 -5.632 -4.614 -4.013 271 HG12 VAL 36 HG12 VAL 36 -3.921 -4.320 -3.703 272 HG13 VAL 36 HG13 VAL 36 -4.436 -4.956 -5.267 273 HG21 VAL 36 HG21 VAL 36 -3.181 -2.898 -6.386 274 HG22 VAL 36 HG22 VAL 36 -2.743 -2.346 -4.767 275 HG23 VAL 36 HG23 VAL 36 -3.623 -1.273 -5.856 276 H ARG 37 H ARG 37 -7.404 -0.968 -4.980 277 HA ARG 37 HA ARG 37 -6.601 1.219 -6.805 278 HB2 ARG 37 HB2 ARG 37 -9.022 1.160 -4.938 279 HB3 ARG 37 HB3 ARG 37 -8.604 2.443 -6.069 280 HG2 ARG 37 HG2 ARG 37 -9.728 -0.306 -6.656 281 HG3 ARG 37 HG3 ARG 37 -10.386 1.274 -7.086 282 HD2 ARG 37 HD2 ARG 37 -8.062 -0.208 -8.347 283 HD3 ARG 37 HD3 ARG 37 -9.567 0.310 -9.108 284 HE ARG 37 HE ARG 37 -8.006 2.519 -8.156 285 HH11 ARG 37 HH11 ARG 37 -8.464 0.401 -10.867 286 HH12 ARG 37 HH12 ARG 37 -7.454 1.345 -11.904 287 HH21 ARG 37 HH21 ARG 37 -6.692 3.674 -9.509 288 HH22 ARG 37 HH22 ARG 37 -6.495 3.180 -11.152 289 H TRP 38 H TRP 38 -6.129 3.286 -5.780 290 HA TRP 38 HA TRP 38 -5.398 3.152 -2.908 291 HB2 TRP 38 HB2 TRP 38 -3.731 4.353 -5.167 292 HB3 TRP 38 HB3 TRP 38 -3.384 4.572 -3.454 293 HD1 TRP 38 HD1 TRP 38 -3.135 1.945 -6.244 294 HE1 TRP 38 HE1 TRP 38 -1.656 0.006 -5.433 295 HE3 TRP 38 HE3 TRP 38 -2.668 3.254 -1.307 296 HZ2 TRP 38 HZ2 TRP 38 -0.454 -0.873 -3.038 297 HZ3 TRP 38 HZ3 TRP 38 -1.338 1.806 0.177 298 HH2 TRP 38 HH2 TRP 38 -0.251 -0.218 -0.671 299 H TYR 39 H TYR 39 -6.140 4.813 -1.739 300 HA TYR 39 HA TYR 39 -6.982 7.348 -3.049 301 HB2 TYR 39 HB2 TYR 39 -8.506 5.809 -0.897 302 HB3 TYR 39 HB3 TYR 39 -8.912 7.441 -1.425 303 HD1 TYR 39 HD2 TYR 39 -9.637 7.810 -3.846 304 HD2 TYR 39 HD1 TYR 39 -9.273 3.904 -2.151 305 HE1 TYR 39 HE2 TYR 39 -10.997 6.889 -5.673 306 HE2 TYR 39 HE1 TYR 39 -10.623 2.984 -3.984 307 HH TYR 39 HH TYR 39 -11.215 4.568 -6.805 308 H LYS 40 H LYS 40 -7.392 9.068 -1.148 309 HA LYS 40 HA LYS 40 -5.843 8.733 1.248 310 HB2 LYS 40 HB2 LYS 40 -4.020 9.169 -0.425 311 HB3 LYS 40 HB3 LYS 40 -4.749 10.725 -0.802 312 HG2 LYS 40 HG2 LYS 40 -4.025 10.190 2.065 313 HG3 LYS 40 HG3 LYS 40 -2.695 10.425 0.937 314 HD2 LYS 40 HD2 LYS 40 -4.934 12.458 1.018 315 HD3 LYS 40 HD3 LYS 40 -3.713 12.467 2.292 316 HE2 LYS 40 HE2 LYS 40 -3.178 14.055 0.471 317 HE3 LYS 40 HE3 LYS 40 -1.944 12.822 0.655 318 HZ1 LYS 40 HZ1 LYS 40 -4.056 12.840 -1.420 319 HZ2 LYS 40 HZ2 LYS 40 -2.828 11.692 -1.268 320 HZ3 LYS 40 HZ3 LYS 40 -2.441 13.291 -1.652 321 H ASP 41 H ASP 41 -6.598 11.572 -0.728 322 HA ASP 41 HA ASP 41 -8.225 12.773 1.407 323 HB2 ASP 41 HB2 ASP 41 -7.932 14.875 0.067 324 HB3 ASP 41 HB3 ASP 41 -6.397 14.141 0.520 325 H GLY 42 H GLY 42 -9.102 10.597 -0.599 326 HA2 GLY 42 HA2 GLY 42 -11.295 10.206 -1.493 327 HA3 GLY 42 HA3 GLY 42 -11.451 11.922 -1.841 328 H GLN 43 H GLN 43 -8.673 12.003 -2.911 329 HA GLN 43 HA GLN 43 -9.146 11.512 -5.673 330 HB2 GLN 43 HB2 GLN 43 -7.655 13.299 -4.932 331 HB3 GLN 43 HB3 GLN 43 -6.612 12.149 -4.106 332 HG2 GLN 43 HG2 GLN 43 -6.075 11.147 -6.383 333 HG3 GLN 43 HG3 GLN 43 -6.945 12.504 -7.101 334 HE21 GLN 43 HE21 GLN 43 -4.106 11.561 -5.264 335 HE22 GLN 43 HE22 GLN 43 -3.209 13.013 -5.536 336 H GLU 44 H GLU 44 -8.889 9.655 -6.826 337 HA GLU 44 HA GLU 44 -7.562 7.292 -5.970 338 HB2 GLU 44 HB2 GLU 44 -9.231 7.246 -7.774 339 HB3 GLU 44 HB3 GLU 44 -8.230 8.279 -8.784 340 HG2 GLU 44 HG2 GLU 44 -8.101 6.002 -9.571 341 HG3 GLU 44 HG3 GLU 44 -6.531 6.486 -8.932 342 H VAL 45 H VAL 45 -5.424 7.015 -5.719 343 HA VAL 45 HA VAL 45 -3.574 9.124 -6.489 344 HB VAL 45 HB VAL 45 -3.025 6.630 -4.811 345 HG11 VAL 45 HG11 VAL 45 -1.080 7.898 -3.943 346 HG12 VAL 45 HG12 VAL 45 -1.430 9.213 -5.068 347 HG13 VAL 45 HG13 VAL 45 -0.960 7.627 -5.682 348 HG21 VAL 45 HG21 VAL 45 -4.801 7.971 -3.763 349 HG22 VAL 45 HG22 VAL 45 -3.802 9.423 -3.864 350 HG23 VAL 45 HG23 VAL 45 -3.310 8.082 -2.824 351 H GLU 46 H GLU 46 -3.220 8.933 -8.636 352 HA GLU 46 HA GLU 46 -2.527 6.401 -9.940 353 HB2 GLU 46 HB2 GLU 46 -4.167 7.969 -10.983 354 HB3 GLU 46 HB3 GLU 46 -2.933 9.220 -11.061 355 HG2 GLU 46 HG2 GLU 46 -1.640 7.858 -12.652 356 HG3 GLU 46 HG3 GLU 46 -2.838 6.572 -12.542 357 H GLU 47 H GLU 47 -0.585 6.267 -11.310 358 HA GLU 47 HA GLU 47 1.825 7.349 -10.136 359 HB2 GLU 47 HB2 GLU 47 1.411 5.639 -12.629 360 HB3 GLU 47 HB3 GLU 47 2.974 5.983 -11.886 361 HG2 GLU 47 HG2 GLU 47 2.364 4.742 -9.890 362 HG3 GLU 47 HG3 GLU 47 0.713 4.541 -10.465 363 H SER 48 H SER 48 1.014 9.615 -10.549 364 HA SER 48 HA SER 48 0.837 10.721 -13.179 365 HB2 SER 48 HB2 SER 48 1.197 12.193 -10.526 366 HB3 SER 48 HB3 SER 48 0.592 12.885 -12.036 367 HG SER 48 HG SER 48 -1.284 12.312 -11.291 368 H ASP 49 H ASP 49 3.335 10.853 -10.662 369 HA ASP 49 HA ASP 49 5.489 11.171 -12.546 370 HB2 ASP 49 HB2 ASP 49 4.734 13.534 -12.403 371 HB3 ASP 49 HB3 ASP 49 4.850 13.489 -10.647 372 H PHE 50 H PHE 50 4.842 11.975 -9.121 373 HA PHE 50 HA PHE 50 7.233 10.780 -8.122 374 HB2 PHE 50 HB2 PHE 50 4.726 11.766 -6.695 375 HB3 PHE 50 HB3 PHE 50 6.159 11.191 -5.854 376 HD1 PHE 50 HD2 PHE 50 4.781 13.921 -7.935 377 HD2 PHE 50 HD1 PHE 50 8.180 12.551 -5.729 378 HE1 PHE 50 HE2 PHE 50 5.765 16.174 -8.045 379 HE2 PHE 50 HE1 PHE 50 9.156 14.808 -5.844 380 HZ PHE 50 HZ PHE 50 7.953 16.620 -7.002 381 H VAL 51 H VAL 51 3.804 9.861 -7.692 382 HA VAL 51 HA VAL 51 4.137 7.536 -6.213 383 HB VAL 51 HB VAL 51 1.898 8.096 -8.214 384 HG11 VAL 51 HG11 VAL 51 1.888 6.289 -5.759 385 HG12 VAL 51 HG12 VAL 51 1.869 5.756 -7.442 386 HG13 VAL 51 HG13 VAL 51 0.491 6.640 -6.783 387 HG21 VAL 51 HG21 VAL 51 2.046 8.888 -5.276 388 HG22 VAL 51 HG22 VAL 51 0.671 9.150 -6.353 389 HG23 VAL 51 HG23 VAL 51 2.194 9.988 -6.649 390 H VAL 52 H VAL 52 5.103 5.634 -6.727 391 HA VAL 52 HA VAL 52 4.616 4.445 -9.399 392 HB VAL 52 HB VAL 52 6.808 3.166 -9.120 393 HG11 VAL 52 HG11 VAL 52 8.225 4.998 -9.983 394 HG12 VAL 52 HG12 VAL 52 7.038 6.186 -9.435 395 HG13 VAL 52 HG13 VAL 52 6.614 5.038 -10.706 396 HG21 VAL 52 HG21 VAL 52 8.558 4.121 -7.652 397 HG22 VAL 52 HG22 VAL 52 7.184 3.536 -6.713 398 HG23 VAL 52 HG23 VAL 52 7.385 5.266 -6.990 399 H LEU 53 H LEU 53 3.355 2.780 -9.262 400 HA LEU 53 HA LEU 53 2.933 1.279 -6.771 401 HB2 LEU 53 HB2 LEU 53 1.391 1.189 -9.400 402 HB3 LEU 53 HB3 LEU 53 0.918 0.395 -7.901 403 HG LEU 53 HG LEU 53 1.084 3.413 -8.309 404 HD11 LEU 53 HD11 LEU 53 -0.775 2.475 -9.583 405 HD12 LEU 53 HD12 LEU 53 -1.365 3.420 -8.219 406 HD13 LEU 53 HD13 LEU 53 -1.382 1.655 -8.141 407 HD21 LEU 53 HD21 LEU 53 1.559 2.799 -5.994 408 HD22 LEU 53 HD22 LEU 53 0.078 1.840 -5.918 409 HD23 LEU 53 HD23 LEU 53 -0.011 3.592 -6.118 410 H GLU 54 H GLU 54 4.560 -0.204 -6.619 411 HA GLU 54 HA GLU 54 5.376 -1.824 -8.950 412 HB2 GLU 54 HB2 GLU 54 6.608 -1.563 -6.167 413 HB3 GLU 54 HB3 GLU 54 7.254 -2.569 -7.464 414 HG2 GLU 54 HG2 GLU 54 7.594 -0.522 -8.844 415 HG3 GLU 54 HG3 GLU 54 6.993 0.459 -7.507 416 H ASN 55 H ASN 55 4.323 -3.684 -9.246 417 HA ASN 55 HA ASN 55 3.028 -5.029 -6.933 418 HB2 ASN 55 HB2 ASN 55 2.076 -4.842 -9.827 419 HB3 ASN 55 HB3 ASN 55 1.240 -5.698 -8.531 420 HD21 ASN 55 HD21 ASN 55 0.248 -3.486 -10.156 421 HD22 ASN 55 HD22 ASN 55 -0.151 -2.212 -9.060 422 H GLU 56 H GLU 56 4.093 -6.844 -6.445 423 HA GLU 56 HA GLU 56 5.129 -8.652 -8.567 424 HB2 GLU 56 HB2 GLU 56 6.956 -7.826 -7.171 425 HB3 GLU 56 HB3 GLU 56 6.085 -8.207 -5.699 426 HG2 GLU 56 HG2 GLU 56 7.855 -9.812 -6.008 427 HG3 GLU 56 HG3 GLU 56 6.310 -10.630 -6.193 428 H GLY 57 H GLY 57 3.257 -9.849 -8.893 429 HA2 GLY 57 HA2 GLY 57 1.583 -11.382 -8.559 430 HA3 GLY 57 HA3 GLY 57 2.595 -12.029 -7.282 431 HA PRO 58 HA PRO 58 -0.845 -10.661 -4.577 432 HB2 PRO 58 HB2 PRO 58 0.916 -11.600 -2.360 433 HB3 PRO 58 HB3 PRO 58 -0.711 -12.132 -2.805 434 HG2 PRO 58 HG2 PRO 58 1.422 -13.705 -3.242 435 HG3 PRO 58 HG3 PRO 58 0.079 -13.643 -4.406 436 HD2 PRO 58 HD2 PRO 58 2.749 -12.212 -4.522 437 HD3 PRO 58 HD3 PRO 58 1.916 -13.142 -5.794 438 H HIS 59 H HIS 59 2.556 -9.743 -4.186 439 HA HIS 59 HA HIS 59 2.180 -7.765 -2.123 440 HB2 HIS 59 HB2 HIS 59 4.517 -8.156 -4.037 441 HB3 HIS 59 HB3 HIS 59 4.538 -7.120 -2.615 442 HD1 HIS 59 HD1 HIS 59 5.356 -8.193 -0.506 443 HD2 HIS 59 HD2 HIS 59 4.233 -11.008 -3.349 444 HE1 HIS 59 HE1 HIS 59 6.089 -10.404 0.417 445 HE2 HIS 59 HE2 HIS 59 5.301 -12.098 -1.264 446 H ARG 60 H ARG 60 1.351 -5.762 -2.368 447 HA ARG 60 HA ARG 60 1.474 -4.311 -4.970 448 HB2 ARG 60 HB2 ARG 60 -0.879 -4.352 -3.008 449 HB3 ARG 60 HB3 ARG 60 -0.825 -3.470 -4.533 450 HG2 ARG 60 HG2 ARG 60 -0.706 -6.501 -4.298 451 HG3 ARG 60 HG3 ARG 60 -2.190 -5.581 -4.578 452 HD2 ARG 60 HD2 ARG 60 -1.375 -4.777 -6.699 453 HD3 ARG 60 HD3 ARG 60 0.234 -5.440 -6.399 454 HE ARG 60 HE ARG 60 -1.226 -7.658 -6.330 455 HH11 ARG 60 HH11 ARG 60 -1.382 -5.058 -8.611 456 HH12 ARG 60 HH12 ARG 60 -1.769 -6.111 -9.924 457 HH21 ARG 60 HH21 ARG 60 -1.663 -8.970 -8.046 458 HH22 ARG 60 HH22 ARG 60 -1.923 -8.280 -9.609 459 H ARG 61 H ARG 61 3.011 -2.700 -4.473 460 HA ARG 61 HA ARG 61 2.670 -1.233 -1.899 461 HB2 ARG 61 HB2 ARG 61 5.135 -0.910 -1.809 462 HB3 ARG 61 HB3 ARG 61 4.648 -2.597 -1.705 463 HG2 ARG 61 HG2 ARG 61 5.264 -2.922 -4.075 464 HG3 ARG 61 HG3 ARG 61 5.768 -1.230 -4.176 465 HD2 ARG 61 HD2 ARG 61 7.719 -2.663 -3.876 466 HD3 ARG 61 HD3 ARG 61 7.497 -1.659 -2.437 467 HE ARG 61 HE ARG 61 6.577 -4.476 -2.558 468 HH11 ARG 61 HH11 ARG 61 8.367 -2.016 -0.912 469 HH12 ARG 61 HH12 ARG 61 8.752 -3.051 0.416 470 HH21 ARG 61 HH21 ARG 61 7.117 -5.772 -0.840 471 HH22 ARG 61 HH22 ARG 61 8.041 -5.114 0.465 472 H LEU 62 H LEU 62 2.370 0.860 -1.962 473 HA LEU 62 HA LEU 62 2.834 2.500 -4.351 474 HB2 LEU 62 HB2 LEU 62 0.696 2.626 -3.024 475 HB3 LEU 62 HB3 LEU 62 1.597 3.229 -1.650 476 HG LEU 62 HG LEU 62 1.527 4.760 -4.293 477 HD11 LEU 62 HD11 LEU 62 -0.808 4.411 -3.641 478 HD12 LEU 62 HD12 LEU 62 -0.349 6.098 -3.434 479 HD13 LEU 62 HD13 LEU 62 -0.475 5.042 -2.024 480 HD21 LEU 62 HD21 LEU 62 1.947 6.739 -2.863 481 HD22 LEU 62 HD22 LEU 62 3.225 5.538 -2.709 482 HD23 LEU 62 HD23 LEU 62 2.012 5.696 -1.437 483 H VAL 63 H VAL 63 4.835 3.404 -4.583 484 HA VAL 63 HA VAL 63 6.388 4.124 -2.156 485 HB VAL 63 HB VAL 63 7.570 3.694 -4.929 486 HG11 VAL 63 HG11 VAL 63 8.995 4.999 -3.425 487 HG12 VAL 63 HG12 VAL 63 9.713 3.415 -3.713 488 HG13 VAL 63 HG13 VAL 63 8.886 3.743 -2.187 489 HG21 VAL 63 HG21 VAL 63 7.342 1.611 -2.720 490 HG22 VAL 63 HG22 VAL 63 8.273 1.426 -4.208 491 HG23 VAL 63 HG23 VAL 63 6.519 1.575 -4.283 492 H LEU 64 H LEU 64 7.343 6.151 -2.006 493 HA LEU 64 HA LEU 64 6.504 8.255 -3.903 494 HB2 LEU 64 HB2 LEU 64 5.376 7.855 -1.349 495 HB3 LEU 64 HB3 LEU 64 6.541 9.122 -1.059 496 HG LEU 64 HG LEU 64 4.457 10.202 -1.460 497 HD11 LEU 64 HD11 LEU 64 5.990 10.411 -4.061 498 HD12 LEU 64 HD12 LEU 64 6.343 11.291 -2.573 499 HD13 LEU 64 HD13 LEU 64 4.826 11.580 -3.421 500 HD21 LEU 64 HD21 LEU 64 3.032 9.814 -3.422 501 HD22 LEU 64 HD22 LEU 64 3.232 8.354 -2.458 502 HD23 LEU 64 HD23 LEU 64 4.124 8.537 -3.971 503 HA PRO 65 HA PRO 65 11.051 9.058 -3.600 504 HB2 PRO 65 HB2 PRO 65 10.247 11.401 -5.315 505 HB3 PRO 65 HB3 PRO 65 11.528 10.204 -5.572 506 HG2 PRO 65 HG2 PRO 65 9.272 10.083 -6.991 507 HG3 PRO 65 HG3 PRO 65 10.034 8.595 -6.393 508 HD2 PRO 65 HD2 PRO 65 7.643 10.066 -5.298 509 HD3 PRO 65 HD3 PRO 65 7.895 8.320 -5.510 510 H ALA 66 H ALA 66 8.905 11.936 -3.681 511 HA ALA 66 HA ALA 66 10.153 12.977 -1.188 512 HB1 ALA 66 HB1 ALA 66 9.648 15.252 -2.016 513 HB2 ALA 66 HB2 ALA 66 8.998 14.576 -3.514 514 HB3 ALA 66 HB3 ALA 66 10.713 14.397 -3.131 515 H THR 67 H THR 67 8.754 12.722 0.458 516 HA THR 67 HA THR 67 6.187 11.781 0.446 517 HB THR 67 HB THR 67 7.274 13.668 2.587 518 HG1 THR 67 HG1 THR 67 8.248 11.865 3.462 519 HG21 THR 67 HG21 THR 67 5.234 11.412 2.790 520 HG22 THR 67 HG22 THR 67 4.893 13.137 2.951 521 HG23 THR 67 HG23 THR 67 5.890 12.320 4.157 522 H GLN 68 H GLN 68 7.124 15.176 0.341 523 HA GLN 68 HA GLN 68 6.122 17.134 -0.044 524 HB2 GLN 68 HB2 GLN 68 3.806 15.485 -1.149 525 HB3 GLN 68 HB3 GLN 68 3.935 17.233 -1.296 526 HG2 GLN 68 HG2 GLN 68 5.927 15.267 -2.473 527 HG3 GLN 68 HG3 GLN 68 4.583 15.977 -3.356 528 HE21 GLN 68 HE21 GLN 68 5.947 16.942 -4.876 529 HE22 GLN 68 HE22 GLN 68 6.965 18.284 -4.506 530 HA PRO 69 HA PRO 69 3.618 18.003 3.639 531 HB2 PRO 69 HB2 PRO 69 3.447 20.813 2.723 532 HB3 PRO 69 HB3 PRO 69 4.308 20.148 4.113 533 HG2 PRO 69 HG2 PRO 69 5.617 21.132 1.950 534 HG3 PRO 69 HG3 PRO 69 6.256 19.774 2.901 535 HD2 PRO 69 HD2 PRO 69 4.728 19.701 0.287 536 HD3 PRO 69 HD3 PRO 69 6.218 18.838 0.745 537 H SER 70 H SER 70 2.107 16.775 1.721 538 HA SER 70 HA SER 70 -0.505 17.885 1.845 539 HB2 SER 70 HB2 SER 70 0.362 19.344 0.007 540 HB3 SER 70 HB3 SER 70 0.810 17.914 -0.923 541 HG SER 70 HG SER 70 -1.242 17.587 -1.429 542 H ASP 71 H ASP 71 1.599 15.757 -0.160 543 HA ASP 71 HA ASP 71 -0.487 13.823 -0.608 544 HB2 ASP 71 HB2 ASP 71 2.470 13.828 -1.293 545 HB3 ASP 71 HB3 ASP 71 1.414 12.467 -1.680 546 H GLY 72 H GLY 72 2.213 14.008 1.679 547 HA2 GLY 72 HA2 GLY 72 2.024 11.390 2.777 548 HA3 GLY 72 HA3 GLY 72 2.651 12.811 3.597 549 H GLY 73 H GLY 73 -0.137 10.776 3.115 550 HA2 GLY 73 HA2 GLY 73 -1.519 11.887 5.458 551 HA3 GLY 73 HA3 GLY 73 -2.353 12.044 3.917 552 H GLU 74 H GLU 74 -4.086 10.730 4.740 553 HA GLU 74 HA GLU 74 -3.503 8.006 5.668 554 HB2 GLU 74 HB2 GLU 74 -6.133 9.541 5.536 555 HB3 GLU 74 HB3 GLU 74 -5.915 7.945 6.267 556 HG2 GLU 74 HG2 GLU 74 -4.249 9.009 7.860 557 HG3 GLU 74 HG3 GLU 74 -4.726 10.575 7.208 558 H PHE 75 H PHE 75 -3.049 6.732 3.911 559 HA PHE 75 HA PHE 75 -4.607 6.843 1.460 560 HB2 PHE 75 HB2 PHE 75 -2.157 5.220 2.253 561 HB3 PHE 75 HB3 PHE 75 -2.956 5.050 0.695 562 HD1 PHE 75 HD2 PHE 75 -1.086 7.454 2.852 563 HD2 PHE 75 HD1 PHE 75 -2.520 6.585 -1.081 564 HE1 PHE 75 HE2 PHE 75 0.317 9.255 1.936 565 HE2 PHE 75 HE1 PHE 75 -1.112 8.384 -1.988 566 HZ PHE 75 HZ PHE 75 0.306 9.721 -0.486 567 H GLN 76 H GLN 76 -5.670 5.054 0.520 568 HA GLN 76 HA GLN 76 -6.440 2.801 2.296 569 HB2 GLN 76 HB2 GLN 76 -8.280 4.414 0.470 570 HB3 GLN 76 HB3 GLN 76 -8.751 2.927 1.289 571 HG2 GLN 76 HG2 GLN 76 -8.488 4.009 3.467 572 HG3 GLN 76 HG3 GLN 76 -7.919 5.487 2.685 573 HE21 GLN 76 HE21 GLN 76 -10.695 3.421 3.217 574 HE22 GLN 76 HE22 GLN 76 -11.894 4.579 2.780 575 H CYS 77 H CYS 77 -5.494 1.049 1.336 576 HA CYS 77 HA CYS 77 -5.476 0.675 -1.558 577 HB2 CYS 77 HB2 CYS 77 -3.544 -0.124 -0.254 578 HB3 CYS 77 HB3 CYS 77 -4.585 -1.203 0.669 579 HG CYS 77 HG CYS 77 -3.663 -3.077 -0.900 580 H VAL 78 H VAL 78 -7.536 0.305 -2.353 581 HA VAL 78 HA VAL 78 -9.376 -1.523 -0.961 582 HB VAL 78 HB VAL 78 -9.864 0.178 -3.463 583 HG11 VAL 78 HG11 VAL 78 -11.862 -1.297 -1.679 584 HG12 VAL 78 HG12 VAL 78 -11.419 -1.734 -3.331 585 HG13 VAL 78 HG13 VAL 78 -12.279 -0.226 -3.021 586 HG21 VAL 78 HG21 VAL 78 -9.385 1.609 -1.511 587 HG22 VAL 78 HG22 VAL 78 -10.614 0.771 -0.561 588 HG23 VAL 78 HG23 VAL 78 -11.087 1.733 -1.964 589 H ALA 79 H ALA 79 -8.784 -3.627 -1.378 590 HA ALA 79 HA ALA 79 -7.729 -4.524 -3.930 591 HB1 ALA 79 HB1 ALA 79 -8.507 -6.153 -1.487 592 HB2 ALA 79 HB2 ALA 79 -6.911 -5.474 -1.804 593 HB3 ALA 79 HB3 ALA 79 -7.557 -6.725 -2.865 594 H GLY 80 H GLY 80 -10.684 -5.222 -2.059 595 HA2 GLY 80 HA2 GLY 80 -12.458 -5.445 -4.235 596 HA3 GLY 80 HA3 GLY 80 -11.863 -7.062 -3.864 597 H ASP 81 H ASP 81 -12.060 -7.759 -1.549 598 HA ASP 81 HA ASP 81 -14.645 -7.231 -0.422 599 HB2 ASP 81 HB2 ASP 81 -12.238 -8.793 0.603 600 HB3 ASP 81 HB3 ASP 81 -13.752 -8.688 1.497 601 H GLU 82 H GLU 82 -11.322 -6.348 0.559 602 HA GLU 82 HA GLU 82 -12.406 -4.610 2.719 603 HB2 GLU 82 HB2 GLU 82 -9.798 -6.189 2.693 604 HB3 GLU 82 HB3 GLU 82 -10.330 -5.121 3.992 605 HG2 GLU 82 HG2 GLU 82 -12.273 -6.594 4.405 606 HG3 GLU 82 HG3 GLU 82 -11.745 -7.657 3.100 607 H CYS 83 H CYS 83 -10.828 -2.928 3.476 608 HA CYS 83 HA CYS 83 -9.049 -1.806 1.401 609 HB2 CYS 83 HB2 CYS 83 -9.876 0.485 1.906 610 HB3 CYS 83 HB3 CYS 83 -11.151 -0.536 1.251 611 HG CYS 83 HG CYS 83 -10.951 -0.337 4.624 612 H ALA 84 H ALA 84 -7.063 -1.376 2.216 613 HA ALA 84 HA ALA 84 -6.583 -1.619 5.107 614 HB1 ALA 84 HB1 ALA 84 -4.619 -1.642 2.786 615 HB2 ALA 84 HB2 ALA 84 -5.305 -3.065 3.571 616 HB3 ALA 84 HB3 ALA 84 -4.235 -1.993 4.476 617 H TYR 85 H TYR 85 -6.194 0.134 6.347 618 HA TYR 85 HA TYR 85 -5.783 2.774 5.135 619 HB2 TYR 85 HB2 TYR 85 -6.534 1.852 7.930 620 HB3 TYR 85 HB3 TYR 85 -6.058 3.517 7.621 621 HD1 TYR 85 HD1 TYR 85 -8.446 0.959 6.170 622 HD2 TYR 85 HD2 TYR 85 -7.793 5.043 7.268 623 HE1 TYR 85 HE1 TYR 85 -10.756 1.511 5.521 624 HE2 TYR 85 HE2 TYR 85 -10.098 5.587 6.623 625 HH TYR 85 HH TYR 85 -11.859 4.735 5.187 626 H PHE 86 H PHE 86 -3.824 3.644 4.943 627 HA PHE 86 HA PHE 86 -1.680 3.073 6.920 628 HB2 PHE 86 HB2 PHE 86 -1.364 4.037 4.031 629 HB3 PHE 86 HB3 PHE 86 -0.057 3.665 5.150 630 HD1 PHE 86 HD2 PHE 86 0.398 1.285 5.792 631 HD2 PHE 86 HD1 PHE 86 -2.489 2.283 2.792 632 HE1 PHE 86 HE2 PHE 86 0.426 -1.038 4.984 633 HE2 PHE 86 HE1 PHE 86 -2.456 -0.046 1.997 634 HZ PHE 86 HZ PHE 86 -0.998 -1.705 3.093 635 H THR 87 H THR 87 -1.735 4.776 8.357 636 HA THR 87 HA THR 87 -2.474 7.481 7.473 637 HB THR 87 HB THR 87 -1.941 6.409 10.285 638 HG1 THR 87 HG1 THR 87 -4.418 7.099 9.039 639 HG21 THR 87 HG21 THR 87 -1.529 8.863 10.168 640 HG22 THR 87 HG22 THR 87 -2.981 8.499 11.100 641 HG23 THR 87 HG23 THR 87 -3.127 9.092 9.445 642 H VAL 88 H VAL 88 -0.764 8.412 6.446 643 HA VAL 88 HA VAL 88 1.966 8.133 7.456 644 HB VAL 88 HB VAL 88 0.951 9.619 4.989 645 HG11 VAL 88 HG11 VAL 88 3.318 9.642 4.241 646 HG12 VAL 88 HG12 VAL 88 3.810 8.933 5.781 647 HG13 VAL 88 HG13 VAL 88 3.095 10.546 5.740 648 HG21 VAL 88 HG21 VAL 88 2.240 6.864 5.184 649 HG22 VAL 88 HG22 VAL 88 1.822 7.699 3.686 650 HG23 VAL 88 HG23 VAL 88 0.548 7.197 4.799 651 H THR 89 H THR 89 2.575 9.415 9.036 652 HA THR 89 HA THR 89 1.353 12.065 9.491 653 HB THR 89 HB THR 89 2.294 11.902 11.766 654 HG1 THR 89 HG1 THR 89 4.209 10.741 11.353 655 HG21 THR 89 HG21 THR 89 1.052 9.942 12.625 656 HG22 THR 89 HG22 THR 89 0.932 9.291 10.989 657 HG23 THR 89 HG23 THR 89 0.108 10.796 11.402 658 H ILE 90 H ILE 90 2.532 13.924 9.018 659 HA ILE 90 HA ILE 90 5.407 13.642 8.324 660 HB ILE 90 HB ILE 90 3.582 16.000 7.681 661 HG12 ILE 90 HG12 ILE 90 4.413 13.704 5.829 662 HG13 ILE 90 HG13 ILE 90 2.810 13.897 6.536 663 HG21 ILE 90 HG21 ILE 90 6.352 15.261 6.621 664 HG22 ILE 90 HG22 ILE 90 5.972 16.599 7.708 665 HG23 ILE 90 HG23 ILE 90 5.372 16.616 6.050 666 HD11 ILE 90 HD11 ILE 90 2.861 14.630 4.231 667 HD12 ILE 90 HD12 ILE 90 4.127 15.797 4.595 668 HD13 ILE 90 HD13 ILE 90 2.517 15.989 5.298 Start of MODEL 5 1 H HIS 1 H1 HIS 1 -19.371 -13.686 -2.582 2 HA HIS 1 HA HIS 1 -20.062 -15.676 -1.431 3 HB2 HIS 1 HB2 HIS 1 -19.110 -17.109 -3.953 4 HB3 HIS 1 HB3 HIS 1 -19.580 -17.905 -2.454 5 HD1 HIS 1 HD1 HIS 1 -22.144 -17.880 -1.851 6 HD2 HIS 1 HD2 HIS 1 -21.235 -16.352 -5.611 7 HE1 HIS 1 HE1 HIS 1 -24.322 -17.778 -3.082 8 HE2 HIS 1 HE2 HIS 1 -23.774 -16.674 -5.267 9 H MET 2 H MET 2 -17.207 -15.881 -3.648 10 HA MET 2 HA MET 2 -15.402 -15.837 -1.279 11 HB2 MET 2 HB2 MET 2 -15.005 -17.385 -3.879 12 HB3 MET 2 HB3 MET 2 -13.823 -17.276 -2.581 13 HG2 MET 2 HG2 MET 2 -15.362 -18.441 -1.069 14 HG3 MET 2 HG3 MET 2 -16.571 -18.523 -2.353 15 HE1 MET 2 HE1 MET 2 -15.549 -21.126 -0.733 16 HE2 MET 2 HE2 MET 2 -15.389 -22.264 -2.069 17 HE3 MET 2 HE3 MET 2 -16.769 -21.169 -2.011 18 HA PRO 3 HA PRO 3 -14.083 -12.266 -3.938 19 HB2 PRO 3 HB2 PRO 3 -14.507 -10.251 -2.223 20 HB3 PRO 3 HB3 PRO 3 -15.865 -11.063 -3.014 21 HG2 PRO 3 HG2 PRO 3 -14.892 -11.311 -0.194 22 HG3 PRO 3 HG3 PRO 3 -16.546 -11.408 -0.827 23 HD2 PRO 3 HD2 PRO 3 -14.798 -13.597 -0.214 24 HD3 PRO 3 HD3 PRO 3 -16.391 -13.685 -0.993 25 H VAL 4 H VAL 4 -12.387 -10.509 -3.533 26 HA VAL 4 HA VAL 4 -9.999 -11.804 -2.567 27 HB VAL 4 HB VAL 4 -9.847 -10.577 -4.630 28 HG11 VAL 4 HG11 VAL 4 -10.607 -8.060 -3.108 29 HG12 VAL 4 HG12 VAL 4 -11.607 -8.908 -4.286 30 HG13 VAL 4 HG13 VAL 4 -10.113 -8.131 -4.802 31 HG21 VAL 4 HG21 VAL 4 -7.873 -9.145 -4.206 32 HG22 VAL 4 HG22 VAL 4 -7.798 -10.633 -3.263 33 HG23 VAL 4 HG23 VAL 4 -8.254 -9.119 -2.483 34 H HIS 5 H HIS 5 -8.955 -11.553 -0.719 35 HA HIS 5 HA HIS 5 -9.717 -9.447 1.226 36 HB2 HIS 5 HB2 HIS 5 -8.564 -12.191 1.907 37 HB3 HIS 5 HB3 HIS 5 -9.271 -11.021 3.021 38 HD1 HIS 5 HD1 HIS 5 -11.981 -10.519 2.359 39 HD2 HIS 5 HD2 HIS 5 -10.296 -14.164 1.271 40 HE1 HIS 5 HE1 HIS 5 -13.913 -12.050 1.918 41 HE2 HIS 5 HE2 HIS 5 -12.876 -14.204 1.147 42 H ILE 6 H ILE 6 -8.039 -8.518 2.487 43 HA ILE 6 HA ILE 6 -5.347 -8.562 1.302 44 HB ILE 6 HB ILE 6 -6.639 -6.642 3.298 45 HG12 ILE 6 HG12 ILE 6 -5.837 -6.252 0.370 46 HG13 ILE 6 HG13 ILE 6 -7.484 -6.461 0.954 47 HG21 ILE 6 HG21 ILE 6 -3.859 -6.490 2.058 48 HG22 ILE 6 HG22 ILE 6 -4.223 -6.795 3.757 49 HG23 ILE 6 HG23 ILE 6 -4.613 -5.232 3.043 50 HD11 ILE 6 HD11 ILE 6 -7.314 -4.349 2.176 51 HD12 ILE 6 HD12 ILE 6 -7.017 -4.152 0.450 52 HD13 ILE 6 HD13 ILE 6 -5.664 -4.141 1.578 53 H VAL 7 H VAL 7 -3.985 -9.992 2.157 54 HA VAL 7 HA VAL 7 -4.262 -11.073 4.833 55 HB VAL 7 HB VAL 7 -2.281 -12.481 4.253 56 HG11 VAL 7 HG11 VAL 7 -3.377 -13.832 2.501 57 HG12 VAL 7 HG12 VAL 7 -4.461 -12.490 2.129 58 HG13 VAL 7 HG13 VAL 7 -4.541 -13.279 3.705 59 HG21 VAL 7 HG21 VAL 7 -2.320 -11.018 1.575 60 HG22 VAL 7 HG22 VAL 7 -1.345 -12.442 1.948 61 HG23 VAL 7 HG23 VAL 7 -1.044 -10.924 2.793 62 H ASP 8 H ASP 8 -2.462 -8.491 3.388 63 HA ASP 8 HA ASP 8 -1.489 -7.605 5.950 64 HB2 ASP 8 HB2 ASP 8 0.335 -9.140 5.486 65 HB3 ASP 8 HB3 ASP 8 0.506 -8.531 3.841 66 HA PRO 9 HA PRO 9 -1.511 -5.978 6.898 67 HB2 PRO 9 HB2 PRO 9 -2.223 -3.505 7.647 68 HB3 PRO 9 HB3 PRO 9 -0.569 -3.862 7.132 69 HG2 PRO 9 HG2 PRO 9 -2.781 -2.515 5.614 70 HG3 PRO 9 HG3 PRO 9 -1.047 -2.140 5.637 71 HD2 PRO 9 HD2 PRO 9 -2.377 -3.664 3.663 72 HD3 PRO 9 HD3 PRO 9 -0.618 -3.611 3.915 73 H ARG 10 H ARG 10 -3.245 -7.017 7.667 74 HA ARG 10 HA ARG 10 -5.989 -6.524 6.978 75 HB2 ARG 10 HB2 ARG 10 -5.377 -8.745 7.632 76 HB3 ARG 10 HB3 ARG 10 -4.555 -8.192 9.078 77 HG2 ARG 10 HG2 ARG 10 -6.574 -9.368 9.672 78 HG3 ARG 10 HG3 ARG 10 -6.728 -7.673 10.120 79 HD2 ARG 10 HD2 ARG 10 -8.102 -7.297 8.061 80 HD3 ARG 10 HD3 ARG 10 -8.001 -9.031 7.717 81 HE ARG 10 HE ARG 10 -8.983 -8.991 10.237 82 HH11 ARG 10 HH11 ARG 10 -10.062 -7.370 7.367 83 HH12 ARG 10 HH12 ARG 10 -11.703 -7.351 7.899 84 HH21 ARG 10 HH21 ARG 10 -11.087 -8.916 10.869 85 HH22 ARG 10 HH22 ARG 10 -12.277 -8.209 9.835 86 H GLU 11 H GLU 11 -3.800 -4.933 9.044 87 HA GLU 11 HA GLU 11 -5.895 -3.716 10.758 88 HB2 GLU 11 HB2 GLU 11 -4.056 -3.317 12.387 89 HB3 GLU 11 HB3 GLU 11 -4.302 -5.025 12.042 90 HG2 GLU 11 HG2 GLU 11 -2.349 -4.970 10.492 91 HG3 GLU 11 HG3 GLU 11 -2.078 -3.280 10.931 92 H HIS 12 H HIS 12 -4.926 -1.523 11.695 93 HA HIS 12 HA HIS 12 -4.475 0.298 9.426 94 HB2 HIS 12 HB2 HIS 12 -5.218 0.861 12.333 95 HB3 HIS 12 HB3 HIS 12 -5.087 2.082 11.073 96 HD1 HIS 12 HD1 HIS 12 -7.333 2.788 10.315 97 HD2 HIS 12 HD2 HIS 12 -7.295 -1.240 11.355 98 HE1 HIS 12 HE1 HIS 12 -9.684 1.983 9.986 99 HE2 HIS 12 HE2 HIS 12 -9.636 -0.454 10.599 100 H VAL 13 H VAL 13 -2.421 0.862 8.991 101 HA VAL 13 HA VAL 13 -0.293 0.719 11.037 102 HB VAL 13 HB VAL 13 -0.126 0.993 7.993 103 HG11 VAL 13 HG11 VAL 13 2.300 0.558 8.217 104 HG12 VAL 13 HG12 VAL 13 2.151 0.587 9.975 105 HG13 VAL 13 HG13 VAL 13 1.834 2.048 9.039 106 HG21 VAL 13 HG21 VAL 13 0.647 -1.360 8.007 107 HG22 VAL 13 HG22 VAL 13 -0.973 -1.215 8.686 108 HG23 VAL 13 HG23 VAL 13 0.412 -1.437 9.756 109 H PHE 14 H PHE 14 0.435 2.577 11.980 110 HA PHE 14 HA PHE 14 -0.098 5.208 10.810 111 HB2 PHE 14 HB2 PHE 14 -0.329 4.871 13.289 112 HB3 PHE 14 HB3 PHE 14 1.395 4.520 13.390 113 HD1 PHE 14 HD1 PHE 14 -1.101 7.169 12.638 114 HD2 PHE 14 HD2 PHE 14 3.024 6.329 13.403 115 HE1 PHE 14 HE1 PHE 14 -0.644 9.575 12.853 116 HE2 PHE 14 HE2 PHE 14 3.468 8.740 13.624 117 HZ PHE 14 HZ PHE 14 1.635 10.363 13.346 118 H VAL 15 H VAL 15 1.499 6.608 10.036 119 HA VAL 15 HA VAL 15 4.173 5.473 9.432 120 HB VAL 15 HB VAL 15 2.350 6.941 7.463 121 HG11 VAL 15 HG11 VAL 15 4.696 7.523 7.055 122 HG12 VAL 15 HG12 VAL 15 4.090 6.495 5.759 123 HG13 VAL 15 HG13 VAL 15 5.138 5.815 7.005 124 HG21 VAL 15 HG21 VAL 15 3.232 4.024 7.434 125 HG22 VAL 15 HG22 VAL 15 2.246 4.820 6.205 126 HG23 VAL 15 HG23 VAL 15 1.616 4.609 7.837 127 H HIS 16 H HIS 16 5.752 6.817 10.122 128 HA HIS 16 HA HIS 16 5.429 9.694 10.472 129 HB2 HIS 16 HB2 HIS 16 6.889 8.387 12.003 130 HB3 HIS 16 HB3 HIS 16 7.906 7.910 10.649 131 HD1 HIS 16 HD1 HIS 16 9.483 9.775 9.635 132 HD2 HIS 16 HD2 HIS 16 7.364 10.956 13.016 133 HE1 HIS 16 HE1 HIS 16 10.587 11.875 10.424 134 HE2 HIS 16 HE2 HIS 16 9.180 12.659 12.344 135 H ALA 17 H ALA 17 5.979 11.244 8.924 136 HA ALA 17 HA ALA 17 7.603 10.469 6.581 137 HB1 ALA 17 HB1 ALA 17 4.821 11.664 6.345 138 HB2 ALA 17 HB2 ALA 17 5.271 10.000 5.968 139 HB3 ALA 17 HB3 ALA 17 5.927 11.327 5.008 140 H ILE 18 H ILE 18 8.993 12.011 6.018 141 HA ILE 18 HA ILE 18 8.336 14.889 6.392 142 HB ILE 18 HB ILE 18 11.116 13.604 6.444 143 HG12 ILE 18 HG12 ILE 18 9.568 14.912 8.734 144 HG13 ILE 18 HG13 ILE 18 9.831 13.183 8.539 145 HG21 ILE 18 HG21 ILE 18 12.015 15.838 7.007 146 HG22 ILE 18 HG22 ILE 18 10.405 16.539 6.839 147 HG23 ILE 18 HG23 ILE 18 11.217 15.850 5.434 148 HD11 ILE 18 HD11 ILE 18 11.975 15.250 9.031 149 HD12 ILE 18 HD12 ILE 18 12.236 13.514 8.839 150 HD13 ILE 18 HD13 ILE 18 11.308 14.121 10.209 151 H THR 19 H THR 19 9.087 16.269 4.619 152 HA THR 19 HA THR 19 8.693 15.408 1.999 153 HB THR 19 HB THR 19 9.798 17.566 1.295 154 HG1 THR 19 HG1 THR 19 10.079 18.738 3.666 155 HG21 THR 19 HG21 THR 19 8.166 19.063 2.368 156 HG22 THR 19 HG22 THR 19 7.831 17.846 3.602 157 HG23 THR 19 HG23 THR 19 7.399 17.538 1.917 158 H SER 20 H SER 20 11.616 15.213 3.892 159 HA SER 20 HA SER 20 13.363 14.665 1.591 160 HB2 SER 20 HB2 SER 20 15.191 14.700 3.282 161 HB3 SER 20 HB3 SER 20 14.209 16.164 3.344 162 HG SER 20 HG SER 20 14.671 15.245 5.426 163 H GLU 21 H GLU 21 11.332 12.780 3.502 164 HA GLU 21 HA GLU 21 13.115 10.449 3.700 165 HB2 GLU 21 HB2 GLU 21 10.318 10.896 4.817 166 HB3 GLU 21 HB3 GLU 21 11.225 9.396 4.998 167 HG2 GLU 21 HG2 GLU 21 13.020 10.746 6.166 168 HG3 GLU 21 HG3 GLU 21 11.907 12.109 6.161 169 H CYS 22 H CYS 22 12.717 8.459 2.780 170 HA CYS 22 HA CYS 22 10.833 8.288 0.532 171 HB2 CYS 22 HB2 CYS 22 13.027 6.361 1.402 172 HB3 CYS 22 HB3 CYS 22 12.030 6.186 -0.042 173 HG CYS 22 HG CYS 22 13.526 9.137 0.043 174 H VAL 23 H VAL 23 8.828 7.591 1.031 175 HA VAL 23 HA VAL 23 8.418 5.561 3.165 176 HB VAL 23 HB VAL 23 6.526 7.728 2.129 177 HG11 VAL 23 HG11 VAL 23 5.217 5.712 2.612 178 HG12 VAL 23 HG12 VAL 23 4.897 6.948 3.827 179 HG13 VAL 23 HG13 VAL 23 5.953 5.586 4.210 180 HG21 VAL 23 HG21 VAL 23 6.669 8.637 4.433 181 HG22 VAL 23 HG22 VAL 23 8.261 8.570 3.679 182 HG23 VAL 23 HG23 VAL 23 7.803 7.358 4.875 183 H MET 24 H MET 24 8.260 3.574 2.232 184 HA MET 24 HA MET 24 6.624 3.213 -0.218 185 HB2 MET 24 HB2 MET 24 8.911 2.271 -0.353 186 HB3 MET 24 HB3 MET 24 8.612 1.295 1.078 187 HG2 MET 24 HG2 MET 24 6.794 0.108 -0.174 188 HG3 MET 24 HG3 MET 24 7.242 1.021 -1.614 189 HE1 MET 24 HE1 MET 24 10.840 -0.383 -2.373 190 HE2 MET 24 HE2 MET 24 10.459 1.070 -1.452 191 HE3 MET 24 HE3 MET 24 9.556 0.695 -2.919 192 H LEU 25 H LEU 25 4.544 3.048 0.467 193 HA LEU 25 HA LEU 25 3.687 1.413 2.715 194 HB2 LEU 25 HB2 LEU 25 2.025 2.676 0.498 195 HB3 LEU 25 HB3 LEU 25 1.429 2.090 2.045 196 HG LEU 25 HG LEU 25 3.237 4.503 1.627 197 HD11 LEU 25 HD11 LEU 25 0.315 4.384 2.430 198 HD12 LEU 25 HD12 LEU 25 0.951 4.924 0.874 199 HD13 LEU 25 HD13 LEU 25 1.310 5.841 2.333 200 HD21 LEU 25 HD21 LEU 25 2.044 3.445 4.212 201 HD22 LEU 25 HD22 LEU 25 2.940 4.954 4.025 202 HD23 LEU 25 HD23 LEU 25 3.751 3.414 3.762 203 H ALA 26 H ALA 26 3.350 -0.807 2.543 204 HA ALA 26 HA ALA 26 2.988 -1.991 -0.167 205 HB1 ALA 26 HB1 ALA 26 4.258 -3.291 2.265 206 HB2 ALA 26 HB2 ALA 26 5.123 -2.625 0.882 207 HB3 ALA 26 HB3 ALA 26 4.072 -4.026 0.670 208 H CYS 27 H CYS 27 1.210 -3.126 -0.576 209 HA CYS 27 HA CYS 27 -0.433 -4.276 1.602 210 HB2 CYS 27 HB2 CYS 27 -1.538 -2.223 0.748 211 HB3 CYS 27 HB3 CYS 27 -1.538 -2.902 -0.879 212 HG CYS 27 HG CYS 27 -3.016 -4.611 1.652 213 H GLU 28 H GLU 28 -1.441 -6.257 1.105 214 HA GLU 28 HA GLU 28 -0.616 -7.671 -1.325 215 HB2 GLU 28 HB2 GLU 28 1.229 -7.867 0.380 216 HB3 GLU 28 HB3 GLU 28 0.093 -8.643 1.479 217 HG2 GLU 28 HG2 GLU 28 -0.213 -10.468 -0.195 218 HG3 GLU 28 HG3 GLU 28 1.007 -9.706 -1.217 219 H VAL 29 H VAL 29 -1.989 -9.298 -1.894 220 HA VAL 29 HA VAL 29 -4.375 -9.798 -0.194 221 HB VAL 29 HB VAL 29 -5.636 -10.110 -2.373 222 HG11 VAL 29 HG11 VAL 29 -4.427 -7.358 -1.924 223 HG12 VAL 29 HG12 VAL 29 -5.832 -8.026 -1.090 224 HG13 VAL 29 HG13 VAL 29 -5.910 -7.698 -2.821 225 HG21 VAL 29 HG21 VAL 29 -4.676 -9.162 -4.463 226 HG22 VAL 29 HG22 VAL 29 -3.734 -10.539 -3.893 227 HG23 VAL 29 HG23 VAL 29 -3.135 -8.900 -3.637 228 H ASP 30 H ASP 30 -5.471 -11.856 -0.503 229 HA ASP 30 HA ASP 30 -3.696 -14.131 -0.830 230 HB2 ASP 30 HB2 ASP 30 -5.493 -15.462 0.032 231 HB3 ASP 30 HB3 ASP 30 -5.514 -13.966 0.948 232 H ARG 31 H ARG 31 -6.027 -12.438 -2.720 233 HA ARG 31 HA ARG 31 -6.102 -14.486 -4.860 234 HB2 ARG 31 HB2 ARG 31 -8.292 -13.813 -3.874 235 HB3 ARG 31 HB3 ARG 31 -7.957 -12.136 -4.254 236 HG2 ARG 31 HG2 ARG 31 -9.524 -12.915 -5.864 237 HG3 ARG 31 HG3 ARG 31 -7.978 -12.764 -6.703 238 HD2 ARG 31 HD2 ARG 31 -7.635 -15.184 -6.561 239 HD3 ARG 31 HD3 ARG 31 -9.121 -15.368 -5.619 240 HE ARG 31 HE ARG 31 -10.014 -14.178 -7.862 241 HH11 ARG 31 HH11 ARG 31 -7.985 -16.958 -7.484 242 HH12 ARG 31 HH12 ARG 31 -8.598 -17.712 -8.911 243 HH21 ARG 31 HH21 ARG 31 -10.759 -15.171 -9.670 244 HH22 ARG 31 HH22 ARG 31 -10.135 -16.714 -10.130 245 H GLU 32 H GLU 32 -4.125 -13.936 -5.898 246 HA GLU 32 HA GLU 32 -3.275 -11.259 -6.399 247 HB2 GLU 32 HB2 GLU 32 -1.510 -12.298 -7.849 248 HB3 GLU 32 HB3 GLU 32 -1.588 -12.941 -6.222 249 HG2 GLU 32 HG2 GLU 32 -1.181 -14.810 -7.593 250 HG3 GLU 32 HG3 GLU 32 -2.887 -14.917 -7.185 251 H ASP 33 H ASP 33 -5.395 -13.369 -8.149 252 HA ASP 33 HA ASP 33 -5.468 -12.181 -10.694 253 HB2 ASP 33 HB2 ASP 33 -6.561 -14.330 -10.132 254 HB3 ASP 33 HB3 ASP 33 -7.710 -13.488 -9.097 255 H ALA 34 H ALA 34 -6.794 -11.085 -7.637 256 HA ALA 34 HA ALA 34 -7.959 -8.687 -8.940 257 HB1 ALA 34 HB1 ALA 34 -9.512 -8.540 -7.033 258 HB2 ALA 34 HB2 ALA 34 -8.831 -10.026 -6.363 259 HB3 ALA 34 HB3 ALA 34 -9.696 -10.064 -7.901 260 HA PRO 35 HA PRO 35 -4.438 -7.064 -6.398 261 HB2 PRO 35 HB2 PRO 35 -3.770 -4.991 -8.006 262 HB3 PRO 35 HB3 PRO 35 -3.340 -6.656 -8.418 263 HG2 PRO 35 HG2 PRO 35 -5.647 -4.993 -9.432 264 HG3 PRO 35 HG3 PRO 35 -4.508 -6.003 -10.352 265 HD2 PRO 35 HD2 PRO 35 -7.014 -6.860 -9.622 266 HD3 PRO 35 HD3 PRO 35 -5.639 -7.966 -9.835 267 H VAL 36 H VAL 36 -4.078 -4.985 -5.269 268 HA VAL 36 HA VAL 36 -6.543 -3.643 -4.513 269 HB VAL 36 HB VAL 36 -5.345 -2.541 -2.760 270 HG11 VAL 36 HG11 VAL 36 -4.154 -5.320 -3.046 271 HG12 VAL 36 HG12 VAL 36 -5.734 -4.932 -2.360 272 HG13 VAL 36 HG13 VAL 36 -4.265 -4.392 -1.547 273 HG21 VAL 36 HG21 VAL 36 -2.866 -2.555 -2.515 274 HG22 VAL 36 HG22 VAL 36 -3.381 -1.707 -3.973 275 HG23 VAL 36 HG23 VAL 36 -2.726 -3.340 -4.091 276 H ARG 37 H ARG 37 -6.809 -1.363 -4.542 277 HA ARG 37 HA ARG 37 -5.150 0.213 -6.416 278 HB2 ARG 37 HB2 ARG 37 -7.259 1.420 -7.098 279 HB3 ARG 37 HB3 ARG 37 -7.226 -0.272 -7.577 280 HG2 ARG 37 HG2 ARG 37 -8.622 -0.753 -5.494 281 HG3 ARG 37 HG3 ARG 37 -8.834 0.989 -5.347 282 HD2 ARG 37 HD2 ARG 37 -10.767 0.029 -6.462 283 HD3 ARG 37 HD3 ARG 37 -9.869 1.013 -7.619 284 HE ARG 37 HE ARG 37 -9.454 -0.855 -8.853 285 HH11 ARG 37 HH11 ARG 37 -10.449 -1.975 -5.712 286 HH12 ARG 37 HH12 ARG 37 -10.537 -3.620 -6.226 287 HH21 ARG 37 HH21 ARG 37 -9.582 -2.958 -9.460 288 HH22 ARG 37 HH22 ARG 37 -10.067 -4.163 -8.325 289 H TRP 38 H TRP 38 -4.403 2.068 -5.538 290 HA TRP 38 HA TRP 38 -4.783 2.450 -2.665 291 HB2 TRP 38 HB2 TRP 38 -2.837 3.642 -4.692 292 HB3 TRP 38 HB3 TRP 38 -2.847 4.089 -2.988 293 HD1 TRP 38 HD1 TRP 38 -1.906 1.138 -5.297 294 HE1 TRP 38 HE1 TRP 38 -0.429 -0.484 -3.947 295 HE3 TRP 38 HE3 TRP 38 -2.367 3.272 -0.683 296 HZ2 TRP 38 HZ2 TRP 38 0.422 -0.818 -1.280 297 HZ3 TRP 38 HZ3 TRP 38 -1.201 2.247 1.220 298 HH2 TRP 38 HH2 TRP 38 0.172 0.237 0.926 299 H TYR 39 H TYR 39 -6.019 4.031 -1.799 300 HA TYR 39 HA TYR 39 -6.845 6.368 -3.436 301 HB2 TYR 39 HB2 TYR 39 -8.351 4.796 -1.310 302 HB3 TYR 39 HB3 TYR 39 -8.794 6.462 -1.673 303 HD1 TYR 39 HD1 TYR 39 -8.279 3.146 -3.390 304 HD2 TYR 39 HD2 TYR 39 -10.341 6.882 -3.404 305 HE1 TYR 39 HE1 TYR 39 -9.643 2.399 -5.286 306 HE2 TYR 39 HE2 TYR 39 -11.708 6.127 -5.303 307 HH TYR 39 HH TYR 39 -11.438 4.435 -7.199 308 H LYS 40 H LYS 40 -6.247 8.360 -2.704 309 HA LYS 40 HA LYS 40 -4.533 8.553 -0.370 310 HB2 LYS 40 HB2 LYS 40 -3.968 9.750 -2.441 311 HB3 LYS 40 HB3 LYS 40 -5.463 10.671 -2.352 312 HG2 LYS 40 HG2 LYS 40 -4.694 11.839 -0.359 313 HG3 LYS 40 HG3 LYS 40 -3.254 10.817 -0.269 314 HD2 LYS 40 HD2 LYS 40 -3.881 12.688 -2.588 315 HD3 LYS 40 HD3 LYS 40 -2.849 13.118 -1.223 316 HE2 LYS 40 HE2 LYS 40 -1.298 11.296 -1.810 317 HE3 LYS 40 HE3 LYS 40 -2.330 10.842 -3.174 318 HZ1 LYS 40 HZ1 LYS 40 -1.899 12.983 -4.177 319 HZ2 LYS 40 HZ2 LYS 40 -0.431 12.208 -3.832 320 HZ3 LYS 40 HZ3 LYS 40 -0.980 13.463 -2.842 321 H ASP 41 H ASP 41 -7.665 9.891 -1.350 322 HA ASP 41 HA ASP 41 -8.912 9.625 1.142 323 HB2 ASP 41 HB2 ASP 41 -7.411 11.627 1.689 324 HB3 ASP 41 HB3 ASP 41 -8.308 12.548 0.490 325 H GLY 42 H GLY 42 -10.470 8.688 -0.203 326 HA2 GLY 42 HA2 GLY 42 -12.559 8.746 -1.244 327 HA3 GLY 42 HA3 GLY 42 -12.380 10.471 -1.519 328 H GLN 43 H GLN 43 -9.965 10.497 -2.959 329 HA GLN 43 HA GLN 43 -10.643 9.096 -5.479 330 HB2 GLN 43 HB2 GLN 43 -10.580 11.597 -5.625 331 HB3 GLN 43 HB3 GLN 43 -8.894 11.575 -5.118 332 HG2 GLN 43 HG2 GLN 43 -8.306 10.294 -7.162 333 HG3 GLN 43 HG3 GLN 43 -9.996 10.334 -7.663 334 HE21 GLN 43 HE21 GLN 43 -9.546 11.445 -9.584 335 HE22 GLN 43 HE22 GLN 43 -9.029 13.093 -9.609 336 H GLU 44 H GLU 44 -9.012 8.048 -6.648 337 HA GLU 44 HA GLU 44 -7.066 6.671 -5.078 338 HB2 GLU 44 HB2 GLU 44 -6.407 5.582 -7.313 339 HB3 GLU 44 HB3 GLU 44 -8.027 5.288 -6.711 340 HG2 GLU 44 HG2 GLU 44 -7.599 7.503 -8.707 341 HG3 GLU 44 HG3 GLU 44 -7.585 5.834 -9.261 342 H VAL 45 H VAL 45 -4.814 6.515 -5.447 343 HA VAL 45 HA VAL 45 -3.499 9.062 -5.725 344 HB VAL 45 HB VAL 45 -2.203 6.336 -5.260 345 HG11 VAL 45 HG11 VAL 45 -0.590 8.080 -5.913 346 HG12 VAL 45 HG12 VAL 45 -0.358 7.623 -4.226 347 HG13 VAL 45 HG13 VAL 45 -1.178 9.134 -4.623 348 HG21 VAL 45 HG21 VAL 45 -2.322 6.809 -2.843 349 HG22 VAL 45 HG22 VAL 45 -3.934 6.722 -3.554 350 HG23 VAL 45 HG23 VAL 45 -3.225 8.292 -3.167 351 H GLU 46 H GLU 46 -2.705 9.828 -7.586 352 HA GLU 46 HA GLU 46 -2.313 8.155 -9.942 353 HB2 GLU 46 HB2 GLU 46 -1.877 10.306 -11.095 354 HB3 GLU 46 HB3 GLU 46 -3.395 10.344 -10.204 355 HG2 GLU 46 HG2 GLU 46 -2.339 11.642 -8.403 356 HG3 GLU 46 HG3 GLU 46 -0.787 11.562 -9.234 357 H GLU 47 H GLU 47 -0.336 7.690 -10.884 358 HA GLU 47 HA GLU 47 2.117 7.964 -9.410 359 HB2 GLU 47 HB2 GLU 47 1.681 7.107 -12.299 360 HB3 GLU 47 HB3 GLU 47 3.181 6.924 -11.394 361 HG2 GLU 47 HG2 GLU 47 1.995 5.397 -9.815 362 HG3 GLU 47 HG3 GLU 47 0.543 5.543 -10.805 363 H SER 48 H SER 48 2.367 10.165 -9.098 364 HA SER 48 HA SER 48 2.509 12.113 -11.241 365 HB2 SER 48 HB2 SER 48 1.597 12.677 -8.984 366 HB3 SER 48 HB3 SER 48 3.179 12.373 -8.271 367 HG SER 48 HG SER 48 2.390 14.648 -9.009 368 H ASP 49 H ASP 49 4.604 13.754 -10.706 369 HA ASP 49 HA ASP 49 6.832 12.674 -11.983 370 HB2 ASP 49 HB2 ASP 49 6.730 15.077 -10.108 371 HB3 ASP 49 HB3 ASP 49 8.009 14.751 -11.278 372 H PHE 50 H PHE 50 6.212 12.982 -8.501 373 HA PHE 50 HA PHE 50 8.686 11.448 -7.877 374 HB2 PHE 50 HB2 PHE 50 7.232 13.553 -6.209 375 HB3 PHE 50 HB3 PHE 50 8.526 12.535 -5.584 376 HD1 PHE 50 HD2 PHE 50 7.735 15.316 -7.903 377 HD2 PHE 50 HD1 PHE 50 10.857 12.958 -6.171 378 HE1 PHE 50 HE2 PHE 50 9.409 16.933 -8.706 379 HE2 PHE 50 HE1 PHE 50 12.523 14.580 -6.985 380 HZ PHE 50 HZ PHE 50 11.803 16.566 -8.249 381 H VAL 51 H VAL 51 5.788 10.548 -8.488 382 HA VAL 51 HA VAL 51 5.505 8.754 -6.130 383 HB VAL 51 HB VAL 51 3.163 9.866 -7.752 384 HG11 VAL 51 HG11 VAL 51 1.720 8.816 -6.037 385 HG12 VAL 51 HG12 VAL 51 3.145 8.136 -5.247 386 HG13 VAL 51 HG13 VAL 51 2.708 7.617 -6.875 387 HG21 VAL 51 HG21 VAL 51 4.119 11.657 -6.382 388 HG22 VAL 51 HG22 VAL 51 4.044 10.639 -4.944 389 HG23 VAL 51 HG23 VAL 51 2.556 11.168 -5.729 390 H VAL 52 H VAL 52 5.735 6.651 -6.720 391 HA VAL 52 HA VAL 52 4.855 5.748 -9.403 392 HB VAL 52 HB VAL 52 6.889 4.200 -9.489 393 HG11 VAL 52 HG11 VAL 52 7.488 7.180 -9.623 394 HG12 VAL 52 HG12 VAL 52 6.770 6.209 -10.908 395 HG13 VAL 52 HG13 VAL 52 8.430 5.901 -10.398 396 HG21 VAL 52 HG21 VAL 52 7.580 4.313 -7.124 397 HG22 VAL 52 HG22 VAL 52 7.959 6.026 -7.296 398 HG23 VAL 52 HG23 VAL 52 8.905 4.822 -8.174 399 H LEU 53 H LEU 53 3.648 3.937 -9.361 400 HA LEU 53 HA LEU 53 3.397 2.360 -6.873 401 HB2 LEU 53 HB2 LEU 53 1.661 2.331 -9.382 402 HB3 LEU 53 HB3 LEU 53 1.338 1.437 -7.905 403 HG LEU 53 HG LEU 53 1.314 4.475 -8.157 404 HD11 LEU 53 HD11 LEU 53 -0.591 3.472 -9.326 405 HD12 LEU 53 HD12 LEU 53 -1.120 4.328 -7.880 406 HD13 LEU 53 HD13 LEU 53 -1.028 2.564 -7.874 407 HD21 LEU 53 HD21 LEU 53 0.390 4.490 -5.871 408 HD22 LEU 53 HD22 LEU 53 2.005 3.791 -5.910 409 HD23 LEU 53 HD23 LEU 53 0.597 2.738 -5.769 410 H GLU 54 H GLU 54 4.958 0.801 -6.844 411 HA GLU 54 HA GLU 54 5.654 -0.693 -9.296 412 HB2 GLU 54 HB2 GLU 54 7.023 -0.648 -6.572 413 HB3 GLU 54 HB3 GLU 54 7.577 -1.569 -7.968 414 HG2 GLU 54 HG2 GLU 54 7.778 0.661 -9.199 415 HG3 GLU 54 HG3 GLU 54 7.504 1.444 -7.643 416 H ASN 55 H ASN 55 4.582 -2.524 -9.651 417 HA ASN 55 HA ASN 55 3.397 -4.033 -7.383 418 HB2 ASN 55 HB2 ASN 55 2.420 -3.848 -10.263 419 HB3 ASN 55 HB3 ASN 55 1.622 -4.720 -8.958 420 HD21 ASN 55 HD21 ASN 55 2.100 -2.554 -6.977 421 HD22 ASN 55 HD22 ASN 55 1.000 -1.302 -7.407 422 H GLU 56 H GLU 56 3.510 -6.275 -7.373 423 HA GLU 56 HA GLU 56 4.563 -7.854 -9.536 424 HB2 GLU 56 HB2 GLU 56 6.695 -7.056 -8.576 425 HB3 GLU 56 HB3 GLU 56 6.212 -7.604 -6.977 426 HG2 GLU 56 HG2 GLU 56 7.834 -9.133 -8.003 427 HG3 GLU 56 HG3 GLU 56 6.298 -9.937 -7.706 428 H GLY 57 H GLY 57 2.966 -9.323 -9.508 429 HA2 GLY 57 HA2 GLY 57 1.554 -11.002 -8.873 430 HA3 GLY 57 HA3 GLY 57 2.713 -11.362 -7.613 431 HA PRO 58 HA PRO 58 -0.840 -10.032 -5.018 432 HB2 PRO 58 HB2 PRO 58 0.031 -11.056 -2.649 433 HB3 PRO 58 HB3 PRO 58 -0.673 -12.075 -3.912 434 HG2 PRO 58 HG2 PRO 58 2.234 -11.599 -3.262 435 HG3 PRO 58 HG3 PRO 58 1.405 -13.134 -3.601 436 HD2 PRO 58 HD2 PRO 58 2.863 -11.793 -5.492 437 HD3 PRO 58 HD3 PRO 58 1.456 -12.798 -5.906 438 H HIS 59 H HIS 59 2.577 -9.249 -4.672 439 HA HIS 59 HA HIS 59 2.281 -7.362 -2.472 440 HB2 HIS 59 HB2 HIS 59 4.645 -7.901 -4.321 441 HB3 HIS 59 HB3 HIS 59 4.699 -6.876 -2.891 442 HD1 HIS 59 HD1 HIS 59 5.321 -7.998 -0.765 443 HD2 HIS 59 HD2 HIS 59 4.157 -10.729 -3.665 444 HE1 HIS 59 HE1 HIS 59 5.928 -10.247 0.154 445 HE2 HIS 59 HE2 HIS 59 5.300 -11.878 -1.653 446 H ARG 60 H ARG 60 1.658 -5.269 -2.713 447 HA ARG 60 HA ARG 60 1.966 -3.872 -5.322 448 HB2 ARG 60 HB2 ARG 60 -0.453 -3.738 -3.461 449 HB3 ARG 60 HB3 ARG 60 -0.269 -2.839 -4.966 450 HG2 ARG 60 HG2 ARG 60 -0.444 -5.870 -4.725 451 HG3 ARG 60 HG3 ARG 60 -1.760 -4.800 -5.225 452 HD2 ARG 60 HD2 ARG 60 -0.606 -4.188 -7.237 453 HD3 ARG 60 HD3 ARG 60 0.890 -4.948 -6.695 454 HE ARG 60 HE ARG 60 -0.625 -7.085 -6.800 455 HH11 ARG 60 HH11 ARG 60 -0.696 -4.467 -9.067 456 HH12 ARG 60 HH12 ARG 60 -0.973 -5.509 -10.418 457 HH21 ARG 60 HH21 ARG 60 -0.988 -8.387 -8.556 458 HH22 ARG 60 HH22 ARG 60 -1.160 -7.691 -10.128 459 H ARG 61 H ARG 61 3.479 -2.346 -4.935 460 HA ARG 61 HA ARG 61 3.718 -1.058 -2.287 461 HB2 ARG 61 HB2 ARG 61 5.706 -1.237 -4.591 462 HB3 ARG 61 HB3 ARG 61 6.029 -0.487 -3.030 463 HG2 ARG 61 HG2 ARG 61 5.842 -2.646 -1.908 464 HG3 ARG 61 HG3 ARG 61 5.377 -3.428 -3.422 465 HD2 ARG 61 HD2 ARG 61 7.566 -2.965 -4.388 466 HD3 ARG 61 HD3 ARG 61 8.040 -2.036 -2.961 467 HE ARG 61 HE ARG 61 7.317 -4.704 -2.271 468 HH11 ARG 61 HH11 ARG 61 9.936 -2.908 -3.671 469 HH12 ARG 61 HH12 ARG 61 11.123 -4.036 -3.126 470 HH21 ARG 61 HH21 ARG 61 8.874 -6.116 -1.592 471 HH22 ARG 61 HH22 ARG 61 10.530 -5.824 -1.980 472 H LEU 62 H LEU 62 2.754 0.922 -2.166 473 HA LEU 62 HA LEU 62 2.983 2.920 -4.274 474 HB2 LEU 62 HB2 LEU 62 1.007 2.793 -2.748 475 HB3 LEU 62 HB3 LEU 62 2.035 3.189 -1.386 476 HG LEU 62 HG LEU 62 1.852 5.142 -3.704 477 HD11 LEU 62 HD11 LEU 62 -0.485 4.603 -3.206 478 HD12 LEU 62 HD12 LEU 62 -0.099 6.247 -2.704 479 HD13 LEU 62 HD13 LEU 62 -0.223 4.961 -1.497 480 HD21 LEU 62 HD21 LEU 62 2.204 6.840 -1.961 481 HD22 LEU 62 HD22 LEU 62 3.479 5.628 -1.917 482 HD23 LEU 62 HD23 LEU 62 2.188 5.586 -0.714 483 H VAL 63 H VAL 63 4.998 3.696 -4.619 484 HA VAL 63 HA VAL 63 6.909 3.960 -2.372 485 HB VAL 63 HB VAL 63 7.533 3.933 -5.361 486 HG11 VAL 63 HG11 VAL 63 9.869 3.503 -4.667 487 HG12 VAL 63 HG12 VAL 63 9.396 3.629 -2.971 488 HG13 VAL 63 HG13 VAL 63 9.278 5.037 -4.027 489 HG21 VAL 63 HG21 VAL 63 7.711 1.605 -3.405 490 HG22 VAL 63 HG22 VAL 63 8.258 1.586 -5.082 491 HG23 VAL 63 HG23 VAL 63 6.543 1.772 -4.718 492 H LEU 64 H LEU 64 7.301 5.944 -1.627 493 HA LEU 64 HA LEU 64 7.129 8.314 -3.401 494 HB2 LEU 64 HB2 LEU 64 5.874 7.827 -0.822 495 HB3 LEU 64 HB3 LEU 64 7.021 9.131 -0.623 496 HG LEU 64 HG LEU 64 4.870 10.095 -1.087 497 HD11 LEU 64 HD11 LEU 64 6.767 11.259 -2.092 498 HD12 LEU 64 HD12 LEU 64 5.321 11.446 -3.080 499 HD13 LEU 64 HD13 LEU 64 6.592 10.319 -3.578 500 HD21 LEU 64 HD21 LEU 64 4.741 8.390 -3.595 501 HD22 LEU 64 HD22 LEU 64 3.566 9.618 -3.114 502 HD23 LEU 64 HD23 LEU 64 3.780 8.175 -2.130 503 HA PRO 65 HA PRO 65 11.715 8.127 -2.529 504 HB2 PRO 65 HB2 PRO 65 12.254 10.092 -4.459 505 HB3 PRO 65 HB3 PRO 65 12.201 8.357 -4.769 506 HG2 PRO 65 HG2 PRO 65 10.032 10.409 -5.171 507 HG3 PRO 65 HG3 PRO 65 10.559 9.114 -6.266 508 HD2 PRO 65 HD2 PRO 65 8.361 8.789 -4.804 509 HD3 PRO 65 HD3 PRO 65 9.498 7.433 -4.984 510 H ALA 66 H ALA 66 9.794 11.107 -3.036 511 HA ALA 66 HA ALA 66 10.937 12.277 -0.565 512 HB1 ALA 66 HB1 ALA 66 10.988 14.502 -1.637 513 HB2 ALA 66 HB2 ALA 66 10.451 13.795 -3.163 514 HB3 ALA 66 HB3 ALA 66 12.027 13.366 -2.501 515 H THR 67 H THR 67 9.186 12.030 0.750 516 HA THR 67 HA THR 67 6.494 11.921 -0.214 517 HB THR 67 HB THR 67 7.346 12.102 2.711 518 HG1 THR 67 HG1 THR 67 8.450 10.356 2.071 519 HG21 THR 67 HG21 THR 67 5.302 10.764 3.120 520 HG22 THR 67 HG22 THR 67 4.922 10.793 1.397 521 HG23 THR 67 HG23 THR 67 4.897 12.289 2.331 522 H GLN 68 H GLN 68 6.015 13.878 -1.165 523 HA GLN 68 HA GLN 68 6.335 16.453 0.078 524 HB2 GLN 68 HB2 GLN 68 4.764 15.596 -2.390 525 HB3 GLN 68 HB3 GLN 68 5.048 17.273 -1.925 526 HG2 GLN 68 HG2 GLN 68 7.500 16.883 -2.157 527 HG3 GLN 68 HG3 GLN 68 7.163 15.242 -2.706 528 HE21 GLN 68 HE21 GLN 68 8.130 15.608 -4.707 529 HE22 GLN 68 HE22 GLN 68 7.417 16.598 -5.926 530 HA PRO 69 HA PRO 69 2.673 17.030 2.594 531 HB2 PRO 69 HB2 PRO 69 1.739 19.524 1.592 532 HB3 PRO 69 HB3 PRO 69 2.912 19.286 2.888 533 HG2 PRO 69 HG2 PRO 69 3.395 19.823 -0.034 534 HG3 PRO 69 HG3 PRO 69 4.261 20.458 1.384 535 HD2 PRO 69 HD2 PRO 69 5.338 18.520 -0.088 536 HD3 PRO 69 HD3 PRO 69 5.470 18.462 1.684 537 H SER 70 H SER 70 2.204 17.421 -0.903 538 HA SER 70 HA SER 70 -0.581 17.143 -1.129 539 HB2 SER 70 HB2 SER 70 -0.080 16.241 -3.438 540 HB3 SER 70 HB3 SER 70 0.765 17.742 -3.061 541 HG SER 70 HG SER 70 1.816 15.106 -3.146 542 H ASP 71 H ASP 71 1.923 14.652 -0.789 543 HA ASP 71 HA ASP 71 0.001 12.445 -0.910 544 HB2 ASP 71 HB2 ASP 71 3.037 12.425 -0.643 545 HB3 ASP 71 HB3 ASP 71 2.022 11.002 -0.890 546 H GLY 72 H GLY 72 0.456 14.460 1.479 547 HA2 GLY 72 HA2 GLY 72 0.688 12.548 3.700 548 HA3 GLY 72 HA3 GLY 72 0.452 14.285 3.821 549 H GLY 73 H GLY 73 -1.072 11.288 4.120 550 HA2 GLY 73 HA2 GLY 73 -3.563 12.292 4.929 551 HA3 GLY 73 HA3 GLY 73 -3.719 11.836 3.237 552 H GLU 74 H GLU 74 -5.370 10.376 4.164 553 HA GLU 74 HA GLU 74 -4.345 7.971 5.536 554 HB2 GLU 74 HB2 GLU 74 -7.197 8.935 5.054 555 HB3 GLU 74 HB3 GLU 74 -6.771 7.449 5.903 556 HG2 GLU 74 HG2 GLU 74 -5.607 8.778 7.642 557 HG3 GLU 74 HG3 GLU 74 -6.045 10.261 6.793 558 H PHE 75 H PHE 75 -3.604 6.468 4.108 559 HA PHE 75 HA PHE 75 -4.699 6.304 1.411 560 HB2 PHE 75 HB2 PHE 75 -2.214 5.112 2.696 561 HB3 PHE 75 HB3 PHE 75 -2.704 4.745 1.041 562 HD1 PHE 75 HD2 PHE 75 -1.762 7.577 3.307 563 HD2 PHE 75 HD1 PHE 75 -2.179 6.249 -0.733 564 HE1 PHE 75 HE2 PHE 75 -0.664 9.629 2.512 565 HE2 PHE 75 HE1 PHE 75 -1.086 8.310 -1.517 566 HZ PHE 75 HZ PHE 75 -0.327 9.998 0.100 567 H GLN 76 H GLN 76 -6.276 4.991 0.963 568 HA GLN 76 HA GLN 76 -6.874 2.616 2.572 569 HB2 GLN 76 HB2 GLN 76 -8.655 4.347 2.326 570 HB3 GLN 76 HB3 GLN 76 -8.617 4.131 0.579 571 HG2 GLN 76 HG2 GLN 76 -9.308 1.738 0.927 572 HG3 GLN 76 HG3 GLN 76 -9.477 2.086 2.650 573 HE21 GLN 76 HE21 GLN 76 -11.694 1.632 2.649 574 HE22 GLN 76 HE22 GLN 76 -12.853 2.658 1.888 575 H CYS 77 H CYS 77 -5.839 0.886 1.740 576 HA CYS 77 HA CYS 77 -5.441 0.386 -1.085 577 HB2 CYS 77 HB2 CYS 77 -5.144 -1.654 1.147 578 HB3 CYS 77 HB3 CYS 77 -4.259 -1.559 -0.373 579 HG CYS 77 HG CYS 77 -2.429 -0.958 1.563 580 H VAL 78 H VAL 78 -7.437 0.123 -2.137 581 HA VAL 78 HA VAL 78 -9.528 -1.561 -0.949 582 HB VAL 78 HB VAL 78 -9.571 0.088 -3.513 583 HG11 VAL 78 HG11 VAL 78 -11.868 -1.308 -2.084 584 HG12 VAL 78 HG12 VAL 78 -11.189 -1.745 -3.654 585 HG13 VAL 78 HG13 VAL 78 -12.033 -0.210 -3.459 586 HG21 VAL 78 HG21 VAL 78 -9.340 1.510 -1.523 587 HG22 VAL 78 HG22 VAL 78 -10.742 0.734 -0.781 588 HG23 VAL 78 HG23 VAL 78 -10.939 1.701 -2.243 589 H ALA 79 H ALA 79 -8.954 -3.686 -1.192 590 HA ALA 79 HA ALA 79 -7.980 -4.859 -3.639 591 HB1 ALA 79 HB1 ALA 79 -9.235 -6.179 -1.202 592 HB2 ALA 79 HB2 ALA 79 -7.512 -5.899 -1.455 593 HB3 ALA 79 HB3 ALA 79 -8.386 -7.019 -2.501 594 H GLY 80 H GLY 80 -11.108 -4.963 -1.927 595 HA2 GLY 80 HA2 GLY 80 -12.903 -4.635 -3.981 596 HA3 GLY 80 HA3 GLY 80 -12.518 -6.355 -4.028 597 H ASP 81 H ASP 81 -12.565 -7.432 -1.790 598 HA ASP 81 HA ASP 81 -14.984 -6.782 -0.300 599 HB2 ASP 81 HB2 ASP 81 -14.396 -9.139 -0.672 600 HB3 ASP 81 HB3 ASP 81 -12.834 -8.913 0.098 601 H GLU 82 H GLU 82 -11.483 -6.881 0.306 602 HA GLU 82 HA GLU 82 -11.758 -5.603 2.923 603 HB2 GLU 82 HB2 GLU 82 -9.552 -7.078 1.484 604 HB3 GLU 82 HB3 GLU 82 -9.163 -6.072 2.873 605 HG2 GLU 82 HG2 GLU 82 -11.225 -8.296 2.989 606 HG3 GLU 82 HG3 GLU 82 -9.513 -8.547 3.328 607 H CYS 83 H CYS 83 -10.549 -3.832 3.571 608 HA CYS 83 HA CYS 83 -9.149 -2.136 1.638 609 HB2 CYS 83 HB2 CYS 83 -10.393 -0.111 2.409 610 HB3 CYS 83 HB3 CYS 83 -11.443 -1.263 1.596 611 HG CYS 83 HG CYS 83 -11.259 -1.208 5.007 612 H ALA 84 H ALA 84 -7.214 -1.785 2.524 613 HA ALA 84 HA ALA 84 -6.777 -1.857 5.438 614 HB1 ALA 84 HB1 ALA 84 -4.389 -2.003 4.847 615 HB2 ALA 84 HB2 ALA 84 -4.786 -1.775 3.141 616 HB3 ALA 84 HB3 ALA 84 -5.323 -3.228 3.983 617 H TYR 85 H TYR 85 -5.467 -0.132 6.477 618 HA TYR 85 HA TYR 85 -5.733 2.516 5.157 619 HB2 TYR 85 HB2 TYR 85 -6.628 1.812 7.989 620 HB3 TYR 85 HB3 TYR 85 -6.498 3.461 7.379 621 HD1 TYR 85 HD2 TYR 85 -8.061 4.275 5.608 622 HD2 TYR 85 HD1 TYR 85 -8.508 0.377 7.309 623 HE1 TYR 85 HE2 TYR 85 -10.319 4.109 4.655 624 HE2 TYR 85 HE1 TYR 85 -10.764 0.219 6.341 625 HH TYR 85 HH TYR 85 -12.535 1.680 5.554 626 H PHE 86 H PHE 86 -3.893 3.572 5.098 627 HA PHE 86 HA PHE 86 -1.882 3.368 7.272 628 HB2 PHE 86 HB2 PHE 86 -1.565 4.281 4.370 629 HB3 PHE 86 HB3 PHE 86 -0.289 4.367 5.582 630 HD1 PHE 86 HD1 PHE 86 -2.375 2.022 3.567 631 HD2 PHE 86 HD2 PHE 86 1.020 2.425 6.138 632 HE1 PHE 86 HE1 PHE 86 -1.633 -0.250 2.965 633 HE2 PHE 86 HE2 PHE 86 1.750 0.159 5.525 634 HZ PHE 86 HZ PHE 86 0.428 -1.180 3.939 635 H THR 87 H THR 87 -1.410 5.257 8.439 636 HA THR 87 HA THR 87 -2.618 7.817 7.510 637 HB THR 87 HB THR 87 -1.744 7.068 10.338 638 HG1 THR 87 HG1 THR 87 -4.387 7.727 9.865 639 HG21 THR 87 HG21 THR 87 -2.819 9.206 11.024 640 HG22 THR 87 HG22 THR 87 -3.101 9.605 9.329 641 HG23 THR 87 HG23 THR 87 -1.451 9.494 9.945 642 H VAL 88 H VAL 88 -1.072 8.710 6.243 643 HA VAL 88 HA VAL 88 1.757 8.749 7.031 644 HB VAL 88 HB VAL 88 0.362 9.722 4.487 645 HG11 VAL 88 HG11 VAL 88 2.397 11.048 4.857 646 HG12 VAL 88 HG12 VAL 88 2.621 9.953 3.493 647 HG13 VAL 88 HG13 VAL 88 3.349 9.575 5.057 648 HG21 VAL 88 HG21 VAL 88 0.338 7.265 4.749 649 HG22 VAL 88 HG22 VAL 88 2.091 7.254 4.958 650 HG23 VAL 88 HG23 VAL 88 1.387 7.745 3.415 651 H THR 89 H THR 89 2.145 10.221 8.573 652 HA THR 89 HA THR 89 0.851 12.884 8.537 653 HB THR 89 HB THR 89 2.377 11.470 10.781 654 HG1 THR 89 HG1 THR 89 0.189 10.709 10.145 655 HG21 THR 89 HG21 THR 89 0.844 14.105 10.837 656 HG22 THR 89 HG22 THR 89 2.589 13.914 11.018 657 HG23 THR 89 HG23 THR 89 1.502 13.277 12.250 658 H ILE 90 H ILE 90 1.992 14.506 7.663 659 HA ILE 90 HA ILE 90 4.960 14.452 7.636 660 HB ILE 90 HB ILE 90 3.129 16.078 5.815 661 HG12 ILE 90 HG12 ILE 90 4.572 13.449 5.214 662 HG13 ILE 90 HG13 ILE 90 2.833 13.649 5.389 663 HG21 ILE 90 HG21 ILE 90 5.384 17.071 6.089 664 HG22 ILE 90 HG22 ILE 90 5.159 16.465 4.451 665 HG23 ILE 90 HG23 ILE 90 6.127 15.544 5.603 666 HD11 ILE 90 HD11 ILE 90 3.425 13.462 3.079 667 HD12 ILE 90 HD12 ILE 90 4.562 14.800 3.209 668 HD13 ILE 90 HD13 ILE 90 2.829 15.091 3.392 Start of MODEL 6 1 H HIS 1 H1 HIS 1 -13.905 -15.452 -11.085 2 HA HIS 1 HA HIS 1 -14.071 -14.078 -9.111 3 HB2 HIS 1 HB2 HIS 1 -16.358 -14.844 -8.395 4 HB3 HIS 1 HB3 HIS 1 -16.154 -14.806 -10.139 5 HD1 HIS 1 HD1 HIS 1 -16.309 -17.048 -11.410 6 HD2 HIS 1 HD2 HIS 1 -16.686 -17.462 -7.293 7 HE1 HIS 1 HE1 HIS 1 -17.091 -19.399 -11.038 8 HE2 HIS 1 HE2 HIS 1 -17.084 -19.683 -8.547 9 H MET 2 H MET 2 -13.370 -13.814 -7.073 10 HA MET 2 HA MET 2 -13.673 -15.747 -4.991 11 HB2 MET 2 HB2 MET 2 -11.661 -16.694 -6.175 12 HB3 MET 2 HB3 MET 2 -10.798 -15.196 -5.864 13 HG2 MET 2 HG2 MET 2 -10.941 -15.600 -3.447 14 HG3 MET 2 HG3 MET 2 -11.863 -17.075 -3.738 15 HE1 MET 2 HE1 MET 2 -10.809 -19.184 -5.134 16 HE2 MET 2 HE2 MET 2 -9.110 -19.277 -5.596 17 HE3 MET 2 HE3 MET 2 -10.186 -18.145 -6.416 18 HA PRO 3 HA PRO 3 -13.721 -11.677 -2.878 19 HB2 PRO 3 HB2 PRO 3 -13.769 -13.494 -0.467 20 HB3 PRO 3 HB3 PRO 3 -14.802 -12.106 -0.848 21 HG2 PRO 3 HG2 PRO 3 -15.754 -14.573 -1.135 22 HG3 PRO 3 HG3 PRO 3 -16.118 -13.338 -2.361 23 HD2 PRO 3 HD2 PRO 3 -14.094 -15.576 -2.469 24 HD3 PRO 3 HD3 PRO 3 -15.204 -14.999 -3.733 25 H VAL 4 H VAL 4 -11.670 -10.908 -3.246 26 HA VAL 4 HA VAL 4 -9.262 -12.041 -2.192 27 HB VAL 4 HB VAL 4 -9.132 -10.860 -4.275 28 HG11 VAL 4 HG11 VAL 4 -10.093 -8.342 -2.871 29 HG12 VAL 4 HG12 VAL 4 -11.013 -9.308 -4.026 30 HG13 VAL 4 HG13 VAL 4 -9.565 -8.449 -4.552 31 HG21 VAL 4 HG21 VAL 4 -7.661 -9.240 -2.153 32 HG22 VAL 4 HG22 VAL 4 -7.255 -9.293 -3.870 33 HG23 VAL 4 HG23 VAL 4 -7.102 -10.748 -2.885 34 H HIS 5 H HIS 5 -9.286 -12.182 -0.000 35 HA HIS 5 HA HIS 5 -9.702 -9.864 1.703 36 HB2 HIS 5 HB2 HIS 5 -8.964 -12.748 2.319 37 HB3 HIS 5 HB3 HIS 5 -8.993 -11.503 3.566 38 HD1 HIS 5 HD1 HIS 5 -11.255 -10.845 4.512 39 HD2 HIS 5 HD2 HIS 5 -11.578 -13.353 1.211 40 HE1 HIS 5 HE1 HIS 5 -13.674 -11.485 4.393 41 HE2 HIS 5 HE2 HIS 5 -13.873 -12.800 2.266 42 H ILE 6 H ILE 6 -8.175 -8.481 2.428 43 HA ILE 6 HA ILE 6 -5.411 -8.723 1.671 44 HB ILE 6 HB ILE 6 -6.774 -6.720 3.525 45 HG12 ILE 6 HG12 ILE 6 -5.880 -6.523 0.605 46 HG13 ILE 6 HG13 ILE 6 -7.543 -6.626 1.169 47 HG21 ILE 6 HG21 ILE 6 -3.937 -6.636 2.404 48 HG22 ILE 6 HG22 ILE 6 -4.375 -6.861 4.098 49 HG23 ILE 6 HG23 ILE 6 -4.723 -5.330 3.297 50 HD11 ILE 6 HD11 ILE 6 -6.987 -4.382 0.500 51 HD12 ILE 6 HD12 ILE 6 -5.641 -4.336 1.635 52 HD13 ILE 6 HD13 ILE 6 -7.300 -4.429 2.233 53 H VAL 7 H VAL 7 -4.501 -10.438 2.507 54 HA VAL 7 HA VAL 7 -4.921 -11.628 5.011 55 HB VAL 7 HB VAL 7 -2.832 -12.984 4.419 56 HG11 VAL 7 HG11 VAL 7 -5.015 -12.781 2.300 57 HG12 VAL 7 HG12 VAL 7 -5.085 -13.748 3.775 58 HG13 VAL 7 HG13 VAL 7 -3.918 -14.149 2.515 59 HG21 VAL 7 HG21 VAL 7 -2.905 -11.311 1.864 60 HG22 VAL 7 HG22 VAL 7 -1.871 -12.713 2.154 61 HG23 VAL 7 HG23 VAL 7 -1.638 -11.239 3.096 62 H ASP 8 H ASP 8 -2.472 -9.283 3.977 63 HA ASP 8 HA ASP 8 -1.979 -8.409 6.664 64 HB2 ASP 8 HB2 ASP 8 -0.516 -10.499 6.466 65 HB3 ASP 8 HB3 ASP 8 0.411 -9.659 5.224 66 HA PRO 9 HA PRO 9 -1.040 -6.697 7.664 67 HB2 PRO 9 HB2 PRO 9 -1.410 -4.058 8.118 68 HB3 PRO 9 HB3 PRO 9 0.179 -4.718 7.709 69 HG2 PRO 9 HG2 PRO 9 -1.803 -3.308 5.937 70 HG3 PRO 9 HG3 PRO 9 -0.041 -3.109 6.025 71 HD2 PRO 9 HD2 PRO 9 -1.324 -4.662 4.121 72 HD3 PRO 9 HD3 PRO 9 0.354 -4.920 4.643 73 H ARG 10 H ARG 10 -2.817 -7.462 8.466 74 HA ARG 10 HA ARG 10 -5.512 -6.632 7.764 75 HB2 ARG 10 HB2 ARG 10 -6.009 -8.430 9.718 76 HB3 ARG 10 HB3 ARG 10 -5.643 -8.912 8.070 77 HG2 ARG 10 HG2 ARG 10 -4.410 -10.290 9.668 78 HG3 ARG 10 HG3 ARG 10 -3.308 -9.346 8.672 79 HD2 ARG 10 HD2 ARG 10 -3.582 -7.672 10.833 80 HD3 ARG 10 HD3 ARG 10 -3.782 -9.237 11.601 81 HE ARG 10 HE ARG 10 -1.550 -9.589 10.105 82 HH11 ARG 10 HH11 ARG 10 -2.387 -7.236 12.495 83 HH12 ARG 10 HH12 ARG 10 -0.744 -6.814 12.808 84 HH21 ARG 10 HH21 ARG 10 0.545 -9.026 10.528 85 HH22 ARG 10 HH22 ARG 10 0.891 -7.828 11.727 86 H GLU 11 H GLU 11 -4.202 -4.468 8.750 87 HA GLU 11 HA GLU 11 -5.596 -3.715 11.180 88 HB2 GLU 11 HB2 GLU 11 -3.585 -3.148 12.483 89 HB3 GLU 11 HB3 GLU 11 -3.594 -4.867 12.104 90 HG2 GLU 11 HG2 GLU 11 -1.889 -4.607 10.435 91 HG3 GLU 11 HG3 GLU 11 -2.014 -2.851 10.473 92 H HIS 12 H HIS 12 -4.383 -1.405 11.851 93 HA HIS 12 HA HIS 12 -4.475 0.292 9.416 94 HB2 HIS 12 HB2 HIS 12 -5.135 1.053 12.298 95 HB3 HIS 12 HB3 HIS 12 -5.346 2.069 10.875 96 HD1 HIS 12 HD1 HIS 12 -7.520 1.848 9.629 97 HD2 HIS 12 HD2 HIS 12 -7.022 -1.150 12.460 98 HE1 HIS 12 HE1 HIS 12 -9.690 0.605 9.680 99 HE2 HIS 12 HE2 HIS 12 -9.393 -1.166 11.433 100 H VAL 13 H VAL 13 -2.373 0.654 8.857 101 HA VAL 13 HA VAL 13 -0.275 0.868 10.907 102 HB VAL 13 HB VAL 13 0.005 0.661 7.876 103 HG11 VAL 13 HG11 VAL 13 2.124 0.386 10.044 104 HG12 VAL 13 HG12 VAL 13 1.983 1.713 8.891 105 HG13 VAL 13 HG13 VAL 13 2.381 0.093 8.320 106 HG21 VAL 13 HG21 VAL 13 -1.036 -1.371 8.800 107 HG22 VAL 13 HG22 VAL 13 0.268 -1.525 9.979 108 HG23 VAL 13 HG23 VAL 13 0.609 -1.712 8.257 109 H PHE 14 H PHE 14 -0.091 2.921 11.707 110 HA PHE 14 HA PHE 14 -0.145 5.297 10.041 111 HB2 PHE 14 HB2 PHE 14 0.849 4.945 12.908 112 HB3 PHE 14 HB3 PHE 14 0.639 6.486 12.090 113 HD1 PHE 14 HD1 PHE 14 -1.133 3.627 13.630 114 HD2 PHE 14 HD2 PHE 14 -1.559 7.484 11.828 115 HE1 PHE 14 HE1 PHE 14 -3.440 3.777 14.480 116 HE2 PHE 14 HE2 PHE 14 -3.860 7.626 12.684 117 HZ PHE 14 HZ PHE 14 -4.802 5.778 14.009 118 H VAL 15 H VAL 15 1.481 5.507 8.574 119 HA VAL 15 HA VAL 15 4.265 4.809 9.163 120 HB VAL 15 HB VAL 15 2.998 6.040 6.665 121 HG11 VAL 15 HG11 VAL 15 5.816 4.955 7.046 122 HG12 VAL 15 HG12 VAL 15 5.380 6.646 6.794 123 HG13 VAL 15 HG13 VAL 15 5.119 5.468 5.506 124 HG21 VAL 15 HG21 VAL 15 3.251 3.777 5.673 125 HG22 VAL 15 HG22 VAL 15 2.191 3.752 7.083 126 HG23 VAL 15 HG23 VAL 15 3.851 3.171 7.219 127 H HIS 16 H HIS 16 5.883 6.366 9.569 128 HA HIS 16 HA HIS 16 4.997 9.202 9.810 129 HB2 HIS 16 HB2 HIS 16 6.969 7.684 11.576 130 HB3 HIS 16 HB3 HIS 16 6.570 9.396 11.737 131 HD1 HIS 16 HD1 HIS 16 5.551 6.114 12.900 132 HD2 HIS 16 HD2 HIS 16 3.683 9.787 12.362 133 HE1 HIS 16 HE1 HIS 16 3.425 5.978 14.210 134 HE2 HIS 16 HE2 HIS 16 2.362 8.241 13.963 135 H ALA 17 H ALA 17 6.069 10.620 8.573 136 HA ALA 17 HA ALA 17 8.653 9.834 7.327 137 HB1 ALA 17 HB1 ALA 17 6.298 11.155 5.934 138 HB2 ALA 17 HB2 ALA 17 6.795 9.471 5.748 139 HB3 ALA 17 HB3 ALA 17 7.857 10.769 5.197 140 H ILE 18 H ILE 18 9.694 11.712 6.214 141 HA ILE 18 HA ILE 18 9.340 14.325 7.588 142 HB ILE 18 HB ILE 18 11.932 12.978 6.676 143 HG12 ILE 18 HG12 ILE 18 11.079 12.098 8.825 144 HG13 ILE 18 HG13 ILE 18 12.584 12.977 9.062 145 HG21 ILE 18 HG21 ILE 18 12.163 15.367 6.227 146 HG22 ILE 18 HG22 ILE 18 13.186 14.910 7.587 147 HG23 ILE 18 HG23 ILE 18 11.666 15.758 7.875 148 HD11 ILE 18 HD11 ILE 18 9.811 14.008 9.668 149 HD12 ILE 18 HD12 ILE 18 11.314 14.904 9.905 150 HD13 ILE 18 HD13 ILE 18 11.003 13.440 10.837 151 H THR 19 H THR 19 9.919 16.213 6.204 152 HA THR 19 HA THR 19 8.940 16.268 3.591 153 HB THR 19 HB THR 19 10.131 18.451 3.332 154 HG1 THR 19 HG1 THR 19 12.096 18.020 4.359 155 HG21 THR 19 HG21 THR 19 9.131 19.642 5.239 156 HG22 THR 19 HG22 THR 19 8.947 18.121 6.113 157 HG23 THR 19 HG23 THR 19 8.022 18.407 4.639 158 H SER 20 H SER 20 9.720 15.516 1.689 159 HA SER 20 HA SER 20 11.013 14.746 -0.000 160 HB2 SER 20 HB2 SER 20 13.404 15.949 1.459 161 HB3 SER 20 HB3 SER 20 13.343 15.476 -0.235 162 HG SER 20 HG SER 20 13.017 17.785 0.291 163 H GLU 21 H GLU 21 10.816 13.246 2.764 164 HA GLU 21 HA GLU 21 13.012 11.289 2.414 165 HB2 GLU 21 HB2 GLU 21 12.267 12.413 4.704 166 HB3 GLU 21 HB3 GLU 21 11.004 11.197 4.694 167 HG2 GLU 21 HG2 GLU 21 13.988 10.627 4.620 168 HG3 GLU 21 HG3 GLU 21 12.997 10.604 6.074 169 H CYS 22 H CYS 22 12.633 9.266 1.632 170 HA CYS 22 HA CYS 22 10.298 8.843 0.070 171 HB2 CYS 22 HB2 CYS 22 11.370 6.699 -0.589 172 HB3 CYS 22 HB3 CYS 22 12.490 8.058 -0.684 173 HG CYS 22 HG CYS 22 12.877 6.918 2.284 174 H VAL 23 H VAL 23 8.467 7.718 0.418 175 HA VAL 23 HA VAL 23 8.128 6.016 2.835 176 HB VAL 23 HB VAL 23 6.014 7.465 1.154 177 HG11 VAL 23 HG11 VAL 23 5.068 5.384 2.081 178 HG12 VAL 23 HG12 VAL 23 4.368 6.791 2.881 179 HG13 VAL 23 HG13 VAL 23 5.611 5.842 3.698 180 HG21 VAL 23 HG21 VAL 23 7.336 9.020 2.520 181 HG22 VAL 23 HG22 VAL 23 7.003 8.060 3.963 182 HG23 VAL 23 HG23 VAL 23 5.687 8.900 3.143 183 H MET 24 H MET 24 7.309 3.893 2.605 184 HA MET 24 HA MET 24 6.309 3.011 -0.026 185 HB2 MET 24 HB2 MET 24 8.667 2.224 0.159 186 HB3 MET 24 HB3 MET 24 8.274 1.395 1.658 187 HG2 MET 24 HG2 MET 24 6.695 -0.061 0.431 188 HG3 MET 24 HG3 MET 24 7.111 0.765 -1.071 189 HE1 MET 24 HE1 MET 24 9.582 0.679 -2.152 190 HE2 MET 24 HE2 MET 24 10.907 -0.270 -1.479 191 HE3 MET 24 HE3 MET 24 10.328 1.162 -0.629 192 H LEU 25 H LEU 25 4.239 2.621 0.391 193 HA LEU 25 HA LEU 25 3.242 1.605 2.936 194 HB2 LEU 25 HB2 LEU 25 1.779 2.244 0.345 195 HB3 LEU 25 HB3 LEU 25 1.032 1.994 1.920 196 HG LEU 25 HG LEU 25 2.962 4.278 1.341 197 HD11 LEU 25 HD11 LEU 25 -0.066 4.345 1.248 198 HD12 LEU 25 HD12 LEU 25 1.029 4.507 -0.125 199 HD13 LEU 25 HD13 LEU 25 1.009 5.742 1.129 200 HD21 LEU 25 HD21 LEU 25 0.992 3.871 3.624 201 HD22 LEU 25 HD22 LEU 25 2.031 5.280 3.385 202 HD23 LEU 25 HD23 LEU 25 2.748 3.710 3.729 203 H ALA 26 H ALA 26 3.538 -0.593 3.218 204 HA ALA 26 HA ALA 26 3.481 -2.463 0.967 205 HB1 ALA 26 HB1 ALA 26 4.289 -4.112 2.611 206 HB2 ALA 26 HB2 ALA 26 4.064 -2.937 3.911 207 HB3 ALA 26 HB3 ALA 26 5.264 -2.640 2.653 208 H CYS 27 H CYS 27 1.682 -3.592 0.406 209 HA CYS 27 HA CYS 27 -0.233 -4.542 2.409 210 HB2 CYS 27 HB2 CYS 27 -1.243 -2.425 1.639 211 HB3 CYS 27 HB3 CYS 27 -1.130 -2.960 -0.036 212 HG CYS 27 HG CYS 27 -2.727 -5.353 1.262 213 H GLU 28 H GLU 28 -0.339 -6.675 2.088 214 HA GLU 28 HA GLU 28 -0.016 -7.852 -0.585 215 HB2 GLU 28 HB2 GLU 28 0.096 -9.087 2.188 216 HB3 GLU 28 HB3 GLU 28 0.164 -10.037 0.704 217 HG2 GLU 28 HG2 GLU 28 2.218 -8.870 0.028 218 HG3 GLU 28 HG3 GLU 28 2.142 -7.881 1.485 219 H VAL 29 H VAL 29 -1.502 -9.081 -1.551 220 HA VAL 29 HA VAL 29 -4.250 -9.158 -0.454 221 HB VAL 29 HB VAL 29 -4.995 -9.208 -2.845 222 HG11 VAL 29 HG11 VAL 29 -4.560 -6.831 -3.342 223 HG12 VAL 29 HG12 VAL 29 -3.264 -6.803 -2.146 224 HG13 VAL 29 HG13 VAL 29 -4.932 -7.063 -1.633 225 HG21 VAL 29 HG21 VAL 29 -3.382 -8.637 -4.663 226 HG22 VAL 29 HG22 VAL 29 -2.995 -10.183 -3.907 227 HG23 VAL 29 HG23 VAL 29 -2.049 -8.747 -3.505 228 H ASP 30 H ASP 30 -5.540 -11.018 -0.893 229 HA ASP 30 HA ASP 30 -4.244 -13.568 -0.908 230 HB2 ASP 30 HB2 ASP 30 -6.304 -13.260 0.331 231 HB3 ASP 30 HB3 ASP 30 -7.160 -12.728 -1.106 232 H ARG 31 H ARG 31 -5.698 -11.573 -3.409 233 HA ARG 31 HA ARG 31 -5.332 -13.705 -5.433 234 HB2 ARG 31 HB2 ARG 31 -7.782 -13.160 -4.642 235 HB3 ARG 31 HB3 ARG 31 -7.609 -11.694 -5.591 236 HG2 ARG 31 HG2 ARG 31 -8.798 -13.497 -6.805 237 HG3 ARG 31 HG3 ARG 31 -7.321 -12.991 -7.632 238 HD2 ARG 31 HD2 ARG 31 -7.808 -15.539 -7.460 239 HD3 ARG 31 HD3 ARG 31 -6.177 -14.977 -7.089 240 HE ARG 31 HE ARG 31 -7.994 -15.294 -4.816 241 HH11 ARG 31 HH11 ARG 31 -5.520 -16.830 -6.699 242 HH12 ARG 31 HH12 ARG 31 -4.992 -17.806 -5.378 243 HH21 ARG 31 HH21 ARG 31 -7.262 -16.549 -3.146 244 HH22 ARG 31 HH22 ARG 31 -5.959 -17.659 -3.407 245 H GLU 32 H GLU 32 -3.896 -13.110 -6.916 246 HA GLU 32 HA GLU 32 -2.720 -10.495 -6.973 247 HB2 GLU 32 HB2 GLU 32 -2.230 -12.825 -8.888 248 HB3 GLU 32 HB3 GLU 32 -1.214 -11.402 -8.718 249 HG2 GLU 32 HG2 GLU 32 -0.095 -13.164 -7.601 250 HG3 GLU 32 HG3 GLU 32 -0.746 -12.124 -6.340 251 H ASP 33 H ASP 33 -4.828 -12.322 -9.173 252 HA ASP 33 HA ASP 33 -4.866 -10.524 -11.354 253 HB2 ASP 33 HB2 ASP 33 -5.571 -12.925 -11.447 254 HB3 ASP 33 HB3 ASP 33 -7.005 -12.528 -10.507 255 H ALA 34 H ALA 34 -6.459 -10.357 -8.269 256 HA ALA 34 HA ALA 34 -8.614 -8.601 -8.926 257 HB1 ALA 34 HB1 ALA 34 -8.593 -9.942 -6.866 258 HB2 ALA 34 HB2 ALA 34 -8.771 -8.226 -6.493 259 HB3 ALA 34 HB3 ALA 34 -7.213 -9.026 -6.264 260 HA PRO 35 HA PRO 35 -5.766 -5.097 -9.651 261 HB2 PRO 35 HB2 PRO 35 -7.575 -3.330 -10.671 262 HB3 PRO 35 HB3 PRO 35 -6.981 -4.714 -11.596 263 HG2 PRO 35 HG2 PRO 35 -9.566 -4.419 -10.077 264 HG3 PRO 35 HG3 PRO 35 -9.293 -5.102 -11.692 265 HD2 PRO 35 HD2 PRO 35 -9.585 -6.652 -9.449 266 HD3 PRO 35 HD3 PRO 35 -8.610 -7.156 -10.848 267 H VAL 36 H VAL 36 -5.041 -4.193 -7.781 268 HA VAL 36 HA VAL 36 -6.747 -3.193 -5.689 269 HB VAL 36 HB VAL 36 -4.686 -2.540 -4.513 270 HG11 VAL 36 HG11 VAL 36 -5.407 -4.889 -4.407 271 HG12 VAL 36 HG12 VAL 36 -3.648 -4.775 -4.337 272 HG13 VAL 36 HG13 VAL 36 -4.439 -5.267 -5.837 273 HG21 VAL 36 HG21 VAL 36 -3.358 -1.657 -6.401 274 HG22 VAL 36 HG22 VAL 36 -3.187 -3.282 -7.065 275 HG23 VAL 36 HG23 VAL 36 -2.436 -2.879 -5.521 276 H ARG 37 H ARG 37 -6.910 -1.055 -4.906 277 HA ARG 37 HA ARG 37 -6.196 1.164 -6.729 278 HB2 ARG 37 HB2 ARG 37 -8.919 0.633 -5.475 279 HB3 ARG 37 HB3 ARG 37 -8.459 2.212 -6.096 280 HG2 ARG 37 HG2 ARG 37 -8.950 1.630 -8.226 281 HG3 ARG 37 HG3 ARG 37 -7.999 0.154 -8.120 282 HD2 ARG 37 HD2 ARG 37 -10.837 0.426 -7.084 283 HD3 ARG 37 HD3 ARG 37 -10.408 -0.226 -8.672 284 HE ARG 37 HE ARG 37 -8.937 -1.711 -6.904 285 HH11 ARG 37 HH11 ARG 37 -12.332 -1.080 -7.116 286 HH12 ARG 37 HH12 ARG 37 -12.750 -2.683 -6.644 287 HH21 ARG 37 HH21 ARG 37 -9.511 -3.741 -6.307 288 HH22 ARG 37 HH22 ARG 37 -11.185 -4.165 -6.210 289 H TRP 38 H TRP 38 -4.828 2.358 -5.582 290 HA TRP 38 HA TRP 38 -5.005 2.725 -2.694 291 HB2 TRP 38 HB2 TRP 38 -3.082 3.854 -4.782 292 HB3 TRP 38 HB3 TRP 38 -2.931 4.098 -3.045 293 HD1 TRP 38 HD1 TRP 38 -2.504 1.363 -5.731 294 HE1 TRP 38 HE1 TRP 38 -1.092 -0.534 -4.730 295 HE3 TRP 38 HE3 TRP 38 -2.289 2.986 -0.890 296 HZ2 TRP 38 HZ2 TRP 38 -0.043 -1.271 -2.210 297 HZ3 TRP 38 HZ3 TRP 38 -1.070 1.634 0.755 298 HH2 TRP 38 HH2 TRP 38 0.038 -0.451 0.113 299 H TYR 39 H TYR 39 -5.546 4.712 -1.692 300 HA TYR 39 HA TYR 39 -6.588 6.901 -3.408 301 HB2 TYR 39 HB2 TYR 39 -7.872 5.766 -0.878 302 HB3 TYR 39 HB3 TYR 39 -8.386 7.266 -1.649 303 HD1 TYR 39 HD1 TYR 39 -8.299 3.577 -2.005 304 HD2 TYR 39 HD2 TYR 39 -9.643 7.237 -3.741 305 HE1 TYR 39 HE1 TYR 39 -9.698 2.317 -3.582 306 HE2 TYR 39 HE2 TYR 39 -11.049 5.974 -5.310 307 HH TYR 39 HH TYR 39 -11.019 3.672 -6.334 308 H LYS 40 H LYS 40 -5.690 8.801 -3.005 309 HA LYS 40 HA LYS 40 -4.086 9.282 -0.604 310 HB2 LYS 40 HB2 LYS 40 -3.364 9.752 -3.073 311 HB3 LYS 40 HB3 LYS 40 -4.392 11.169 -2.974 312 HG2 LYS 40 HG2 LYS 40 -2.063 10.611 -1.120 313 HG3 LYS 40 HG3 LYS 40 -1.933 11.564 -2.592 314 HD2 LYS 40 HD2 LYS 40 -3.565 13.202 -1.632 315 HD3 LYS 40 HD3 LYS 40 -3.613 12.248 -0.145 316 HE2 LYS 40 HE2 LYS 40 -2.098 14.189 0.040 317 HE3 LYS 40 HE3 LYS 40 -1.250 12.655 0.238 318 HZ1 LYS 40 HZ1 LYS 40 -1.332 14.226 -2.279 319 HZ2 LYS 40 HZ2 LYS 40 -0.439 12.815 -2.007 320 HZ3 LYS 40 HZ3 LYS 40 -0.052 14.234 -1.176 321 H ASP 41 H ASP 41 -5.435 9.803 1.052 322 HA ASP 41 HA ASP 41 -6.761 10.939 2.457 323 HB2 ASP 41 HB2 ASP 41 -5.546 12.943 1.790 324 HB3 ASP 41 HB3 ASP 41 -6.578 13.148 0.378 325 H GLY 42 H GLY 42 -8.176 12.053 -0.660 326 HA2 GLY 42 HA2 GLY 42 -10.610 10.451 -0.203 327 HA3 GLY 42 HA3 GLY 42 -10.791 12.200 -0.290 328 H GLN 43 H GLN 43 -8.266 11.278 -2.299 329 HA GLN 43 HA GLN 43 -9.986 11.045 -4.719 330 HB2 GLN 43 HB2 GLN 43 -8.699 13.213 -4.527 331 HB3 GLN 43 HB3 GLN 43 -7.205 12.286 -4.527 332 HG2 GLN 43 HG2 GLN 43 -7.878 11.397 -6.819 333 HG3 GLN 43 HG3 GLN 43 -9.198 12.568 -6.802 334 HE21 GLN 43 HE21 GLN 43 -5.757 12.130 -7.068 335 HE22 GLN 43 HE22 GLN 43 -5.383 13.734 -7.581 336 H GLU 44 H GLU 44 -9.184 9.597 -6.412 337 HA GLU 44 HA GLU 44 -7.772 7.295 -5.400 338 HB2 GLU 44 HB2 GLU 44 -9.742 7.133 -6.924 339 HB3 GLU 44 HB3 GLU 44 -8.783 7.832 -8.222 340 HG2 GLU 44 HG2 GLU 44 -7.314 5.880 -8.247 341 HG3 GLU 44 HG3 GLU 44 -8.114 5.219 -6.822 342 H VAL 45 H VAL 45 -5.879 6.364 -6.258 343 HA VAL 45 HA VAL 45 -3.851 8.291 -7.196 344 HB VAL 45 HB VAL 45 -3.615 5.658 -5.680 345 HG11 VAL 45 HG11 VAL 45 -1.690 5.799 -7.180 346 HG12 VAL 45 HG12 VAL 45 -1.185 6.052 -5.510 347 HG13 VAL 45 HG13 VAL 45 -1.333 7.429 -6.602 348 HG21 VAL 45 HG21 VAL 45 -4.353 7.543 -4.289 349 HG22 VAL 45 HG22 VAL 45 -2.958 8.491 -4.808 350 HG23 VAL 45 HG23 VAL 45 -2.722 7.035 -3.838 351 H GLU 46 H GLU 46 -2.727 7.978 -9.042 352 HA GLU 46 HA GLU 46 -2.519 5.295 -10.273 353 HB2 GLU 46 HB2 GLU 46 -4.141 6.827 -11.558 354 HB3 GLU 46 HB3 GLU 46 -2.772 7.871 -11.909 355 HG2 GLU 46 HG2 GLU 46 -1.674 5.946 -13.083 356 HG3 GLU 46 HG3 GLU 46 -3.114 4.982 -12.777 357 H GLU 47 H GLU 47 -0.501 5.374 -11.889 358 HA GLU 47 HA GLU 47 1.808 6.508 -10.602 359 HB2 GLU 47 HB2 GLU 47 1.585 5.173 -13.339 360 HB3 GLU 47 HB3 GLU 47 3.085 5.570 -12.518 361 HG2 GLU 47 HG2 GLU 47 2.981 3.360 -11.963 362 HG3 GLU 47 HG3 GLU 47 2.055 4.001 -10.614 363 H SER 48 H SER 48 0.993 8.706 -10.590 364 HA SER 48 HA SER 48 0.284 10.162 -12.924 365 HB2 SER 48 HB2 SER 48 1.084 11.253 -10.189 366 HB3 SER 48 HB3 SER 48 0.192 12.125 -11.437 367 HG SER 48 HG SER 48 -1.569 10.951 -11.035 368 H ASP 49 H ASP 49 3.196 10.196 -10.909 369 HA ASP 49 HA ASP 49 5.100 10.589 -12.907 370 HB2 ASP 49 HB2 ASP 49 4.131 12.880 -13.148 371 HB3 ASP 49 HB3 ASP 49 4.403 13.182 -11.436 372 H PHE 50 H PHE 50 4.758 12.193 -9.723 373 HA PHE 50 HA PHE 50 7.198 11.134 -8.654 374 HB2 PHE 50 HB2 PHE 50 4.885 12.526 -7.227 375 HB3 PHE 50 HB3 PHE 50 6.471 12.219 -6.527 376 HD1 PHE 50 HD1 PHE 50 8.503 13.360 -7.523 377 HD2 PHE 50 HD2 PHE 50 4.515 14.462 -8.610 378 HE1 PHE 50 HE1 PHE 50 9.332 15.503 -8.405 379 HE2 PHE 50 HE2 PHE 50 5.355 16.606 -9.491 380 HZ PHE 50 HZ PHE 50 7.762 17.127 -9.387 381 H VAL 51 H VAL 51 3.764 10.350 -8.276 382 HA VAL 51 HA VAL 51 4.160 8.269 -6.327 383 HB VAL 51 HB VAL 51 1.681 8.582 -8.073 384 HG11 VAL 51 HG11 VAL 51 1.785 6.547 -6.708 385 HG12 VAL 51 HG12 VAL 51 0.531 7.623 -6.095 386 HG13 VAL 51 HG13 VAL 51 2.076 7.506 -5.255 387 HG21 VAL 51 HG21 VAL 51 0.741 10.133 -6.380 388 HG22 VAL 51 HG22 VAL 51 2.165 10.815 -7.167 389 HG23 VAL 51 HG23 VAL 51 2.292 10.153 -5.538 390 H VAL 52 H VAL 52 4.887 6.234 -6.797 391 HA VAL 52 HA VAL 52 4.267 5.045 -9.447 392 HB VAL 52 HB VAL 52 6.413 3.789 -9.371 393 HG11 VAL 52 HG11 VAL 52 7.907 5.658 -9.985 394 HG12 VAL 52 HG12 VAL 52 6.797 6.804 -9.230 395 HG13 VAL 52 HG13 VAL 52 6.288 5.891 -10.651 396 HG21 VAL 52 HG21 VAL 52 6.854 3.751 -6.956 397 HG22 VAL 52 HG22 VAL 52 7.093 5.499 -6.944 398 HG23 VAL 52 HG23 VAL 52 8.230 4.458 -7.805 399 H LEU 53 H LEU 53 3.347 3.074 -9.442 400 HA LEU 53 HA LEU 53 2.763 1.774 -6.842 401 HB2 LEU 53 HB2 LEU 53 1.242 1.540 -9.474 402 HB3 LEU 53 HB3 LEU 53 0.758 0.846 -7.932 403 HG LEU 53 HG LEU 53 0.917 3.827 -8.553 404 HD11 LEU 53 HD11 LEU 53 -1.524 3.831 -8.454 405 HD12 LEU 53 HD12 LEU 53 -1.542 2.084 -8.201 406 HD13 LEU 53 HD13 LEU 53 -0.949 2.752 -9.724 407 HD21 LEU 53 HD21 LEU 53 1.424 3.414 -6.200 408 HD22 LEU 53 HD22 LEU 53 -0.031 2.433 -6.022 409 HD23 LEU 53 HD23 LEU 53 -0.163 4.161 -6.354 410 H GLU 54 H GLU 54 4.023 0.032 -6.485 411 HA GLU 54 HA GLU 54 5.238 -1.447 -8.721 412 HB2 GLU 54 HB2 GLU 54 5.901 -1.537 -5.756 413 HB3 GLU 54 HB3 GLU 54 6.833 -2.283 -7.048 414 HG2 GLU 54 HG2 GLU 54 6.450 0.682 -6.537 415 HG3 GLU 54 HG3 GLU 54 7.928 -0.249 -6.302 416 H ASN 55 H ASN 55 4.247 -3.243 -9.377 417 HA ASN 55 HA ASN 55 2.702 -4.936 -7.511 418 HB2 ASN 55 HB2 ASN 55 2.830 -4.966 -10.562 419 HB3 ASN 55 HB3 ASN 55 1.814 -6.020 -9.581 420 HD21 ASN 55 HD21 ASN 55 1.088 -4.040 -11.633 421 HD22 ASN 55 HD22 ASN 55 -0.017 -2.956 -10.862 422 H GLU 56 H GLU 56 3.853 -6.526 -6.594 423 HA GLU 56 HA GLU 56 5.858 -8.051 -8.158 424 HB2 GLU 56 HB2 GLU 56 6.988 -6.426 -6.656 425 HB3 GLU 56 HB3 GLU 56 6.133 -7.078 -5.272 426 HG2 GLU 56 HG2 GLU 56 7.774 -9.061 -6.780 427 HG3 GLU 56 HG3 GLU 56 8.694 -7.768 -6.027 428 H GLY 57 H GLY 57 4.199 -9.606 -8.542 429 HA2 GLY 57 HA2 GLY 57 2.939 -11.493 -8.162 430 HA3 GLY 57 HA3 GLY 57 3.828 -11.700 -6.663 431 HA PRO 58 HA PRO 58 -0.251 -10.407 -4.891 432 HB2 PRO 58 HB2 PRO 58 0.006 -11.543 -2.460 433 HB3 PRO 58 HB3 PRO 58 -0.327 -12.522 -3.898 434 HG2 PRO 58 HG2 PRO 58 2.305 -12.047 -2.497 435 HG3 PRO 58 HG3 PRO 58 1.618 -13.573 -3.095 436 HD2 PRO 58 HD2 PRO 58 3.490 -12.088 -4.488 437 HD3 PRO 58 HD3 PRO 58 2.322 -13.178 -5.267 438 H HIS 59 H HIS 59 2.930 -9.439 -4.214 439 HA HIS 59 HA HIS 59 2.354 -7.780 -1.869 440 HB2 HIS 59 HB2 HIS 59 4.930 -7.941 -3.497 441 HB3 HIS 59 HB3 HIS 59 4.742 -7.248 -1.892 442 HD1 HIS 59 HD1 HIS 59 4.847 -8.864 0.098 443 HD2 HIS 59 HD2 HIS 59 4.942 -10.799 -3.575 444 HE1 HIS 59 HE1 HIS 59 5.514 -11.224 0.596 445 HE2 HIS 59 HE2 HIS 59 5.557 -12.382 -1.625 446 H ARG 60 H ARG 60 1.255 -5.929 -2.255 447 HA ARG 60 HA ARG 60 1.816 -4.260 -4.651 448 HB2 ARG 60 HB2 ARG 60 -0.554 -4.122 -2.728 449 HB3 ARG 60 HB3 ARG 60 -0.392 -3.248 -4.250 450 HG2 ARG 60 HG2 ARG 60 -0.658 -6.260 -3.948 451 HG3 ARG 60 HG3 ARG 60 -1.947 -5.150 -4.423 452 HD2 ARG 60 HD2 ARG 60 -0.654 -4.528 -6.442 453 HD3 ARG 60 HD3 ARG 60 0.621 -5.659 -5.968 454 HE ARG 60 HE ARG 60 -2.115 -6.652 -6.408 455 HH11 ARG 60 HH11 ARG 60 1.179 -6.569 -7.436 456 HH12 ARG 60 HH12 ARG 60 0.987 -7.898 -8.516 457 HH21 ARG 60 HH21 ARG 60 -2.334 -8.338 -7.811 458 HH22 ARG 60 HH22 ARG 60 -0.981 -8.865 -8.744 459 H ARG 61 H ARG 61 2.894 -2.337 -4.306 460 HA ARG 61 HA ARG 61 2.841 -1.096 -1.641 461 HB2 ARG 61 HB2 ARG 61 5.356 -0.891 -1.622 462 HB3 ARG 61 HB3 ARG 61 4.746 -2.531 -1.430 463 HG2 ARG 61 HG2 ARG 61 5.203 -2.933 -3.859 464 HG3 ARG 61 HG3 ARG 61 5.936 -1.332 -3.948 465 HD2 ARG 61 HD2 ARG 61 7.689 -2.987 -3.723 466 HD3 ARG 61 HD3 ARG 61 7.606 -2.048 -2.233 467 HE ARG 61 HE ARG 61 6.510 -3.911 -1.172 468 HH11 ARG 61 HH11 ARG 61 7.906 -4.701 -4.243 469 HH12 ARG 61 HH12 ARG 61 8.020 -6.381 -3.861 470 HH21 ARG 61 HH21 ARG 61 6.672 -6.086 -0.734 471 HH22 ARG 61 HH22 ARG 61 7.336 -7.146 -1.935 472 H LEU 62 H LEU 62 2.468 0.979 -1.782 473 HA LEU 62 HA LEU 62 2.931 2.536 -4.211 474 HB2 LEU 62 HB2 LEU 62 0.813 2.704 -2.852 475 HB3 LEU 62 HB3 LEU 62 1.736 3.398 -1.537 476 HG LEU 62 HG LEU 62 1.546 4.749 -4.271 477 HD11 LEU 62 HD11 LEU 62 -0.257 6.169 -3.397 478 HD12 LEU 62 HD12 LEU 62 -0.288 5.233 -1.900 479 HD13 LEU 62 HD13 LEU 62 -0.740 4.473 -3.427 480 HD21 LEU 62 HD21 LEU 62 2.222 5.905 -1.537 481 HD22 LEU 62 HD22 LEU 62 2.082 6.823 -3.041 482 HD23 LEU 62 HD23 LEU 62 3.356 5.623 -2.861 483 H VAL 63 H VAL 63 4.952 3.318 -4.519 484 HA VAL 63 HA VAL 63 6.605 4.121 -2.204 485 HB VAL 63 HB VAL 63 7.469 3.729 -5.102 486 HG11 VAL 63 HG11 VAL 63 8.965 5.259 -3.898 487 HG12 VAL 63 HG12 VAL 63 9.783 3.732 -4.227 488 HG13 VAL 63 HG13 VAL 63 9.174 4.072 -2.605 489 HG21 VAL 63 HG21 VAL 63 7.790 1.795 -2.770 490 HG22 VAL 63 HG22 VAL 63 8.466 1.582 -4.386 491 HG23 VAL 63 HG23 VAL 63 6.718 1.582 -4.158 492 H LEU 64 H LEU 64 7.145 6.218 -1.860 493 HA LEU 64 HA LEU 64 6.479 8.300 -3.851 494 HB2 LEU 64 HB2 LEU 64 5.002 7.894 -1.533 495 HB3 LEU 64 HB3 LEU 64 6.157 9.084 -0.982 496 HG LEU 64 HG LEU 64 4.213 10.291 -1.655 497 HD11 LEU 64 HD11 LEU 64 4.942 11.740 -3.456 498 HD12 LEU 64 HD12 LEU 64 6.149 10.554 -3.964 499 HD13 LEU 64 HD13 LEU 64 6.295 11.349 -2.397 500 HD21 LEU 64 HD21 LEU 64 3.106 8.540 -2.928 501 HD22 LEU 64 HD22 LEU 64 4.235 8.760 -4.266 502 HD23 LEU 64 HD23 LEU 64 3.112 10.052 -3.831 503 HA PRO 65 HA PRO 65 10.943 9.006 -2.809 504 HB2 PRO 65 HB2 PRO 65 11.402 10.654 -5.002 505 HB3 PRO 65 HB3 PRO 65 11.524 8.891 -5.036 506 HG2 PRO 65 HG2 PRO 65 9.220 10.648 -5.876 507 HG3 PRO 65 HG3 PRO 65 9.911 9.238 -6.711 508 HD2 PRO 65 HD2 PRO 65 7.649 9.026 -5.269 509 HD3 PRO 65 HD3 PRO 65 8.848 7.712 -5.279 510 H ALA 66 H ALA 66 9.406 11.908 -4.335 511 HA ALA 66 HA ALA 66 10.244 13.607 -2.100 512 HB1 ALA 66 HB1 ALA 66 9.490 15.477 -3.516 513 HB2 ALA 66 HB2 ALA 66 8.844 14.337 -4.699 514 HB3 ALA 66 HB3 ALA 66 10.582 14.419 -4.410 515 H THR 67 H THR 67 8.821 12.487 -0.574 516 HA THR 67 HA THR 67 6.028 12.315 -0.730 517 HB THR 67 HB THR 67 7.773 12.464 1.761 518 HG1 THR 67 HG1 THR 67 7.910 10.291 1.562 519 HG21 THR 67 HG21 THR 67 4.929 11.409 1.496 520 HG22 THR 67 HG22 THR 67 5.398 12.871 2.363 521 HG23 THR 67 HG23 THR 67 5.940 11.296 2.944 522 H GLN 68 H GLN 68 7.902 14.673 1.224 523 HA GLN 68 HA GLN 68 7.570 16.849 1.853 524 HB2 GLN 68 HB2 GLN 68 5.599 16.937 -0.482 525 HB3 GLN 68 HB3 GLN 68 6.330 18.335 0.296 526 HG2 GLN 68 HG2 GLN 68 8.510 17.767 -0.577 527 HG3 GLN 68 HG3 GLN 68 7.921 16.221 -1.189 528 HE21 GLN 68 HE21 GLN 68 9.213 18.346 -2.690 529 HE22 GLN 68 HE22 GLN 68 8.105 18.813 -3.925 530 HA PRO 69 HA PRO 69 3.626 17.263 4.330 531 HB2 PRO 69 HB2 PRO 69 2.764 19.875 3.733 532 HB3 PRO 69 HB3 PRO 69 3.924 19.458 4.999 533 HG2 PRO 69 HG2 PRO 69 4.446 20.394 2.183 534 HG3 PRO 69 HG3 PRO 69 5.240 20.890 3.693 535 HD2 PRO 69 HD2 PRO 69 6.450 19.168 2.045 536 HD3 PRO 69 HD3 PRO 69 6.534 18.916 3.805 537 H SER 70 H SER 70 3.768 17.806 0.896 538 HA SER 70 HA SER 70 1.166 17.855 -0.006 539 HB2 SER 70 HB2 SER 70 3.457 16.232 -1.194 540 HB3 SER 70 HB3 SER 70 2.027 16.792 -2.059 541 HG SER 70 HG SER 70 4.077 18.074 -2.187 542 H ASP 71 H ASP 71 3.086 14.882 0.710 543 HA ASP 71 HA ASP 71 0.613 13.249 0.657 544 HB2 ASP 71 HB2 ASP 71 3.535 12.534 0.224 545 HB3 ASP 71 HB3 ASP 71 2.313 11.298 0.521 546 H GLY 72 H GLY 72 1.491 14.908 2.957 547 HA2 GLY 72 HA2 GLY 72 2.074 12.986 5.091 548 HA3 GLY 72 HA3 GLY 72 1.846 14.718 5.265 549 H GLY 73 H GLY 73 -0.149 11.967 4.102 550 HA2 GLY 73 HA2 GLY 73 -2.293 12.582 6.008 551 HA3 GLY 73 HA3 GLY 73 -2.675 12.817 4.307 552 H GLU 74 H GLU 74 -4.353 11.184 4.815 553 HA GLU 74 HA GLU 74 -3.591 8.483 5.513 554 HB2 GLU 74 HB2 GLU 74 -6.258 9.678 4.686 555 HB3 GLU 74 HB3 GLU 74 -6.048 8.020 5.245 556 HG2 GLU 74 HG2 GLU 74 -5.353 8.787 7.442 557 HG3 GLU 74 HG3 GLU 74 -5.353 10.467 6.900 558 H PHE 75 H PHE 75 -3.911 6.609 4.267 559 HA PHE 75 HA PHE 75 -4.329 6.824 1.367 560 HB2 PHE 75 HB2 PHE 75 -1.972 5.468 2.735 561 HB3 PHE 75 HB3 PHE 75 -2.419 5.142 1.064 562 HD1 PHE 75 HD2 PHE 75 -0.930 7.636 3.355 563 HD2 PHE 75 HD1 PHE 75 -2.060 6.811 -0.688 564 HE1 PHE 75 HE2 PHE 75 0.424 9.541 2.579 565 HE2 PHE 75 HE1 PHE 75 -0.701 8.710 -1.445 566 HZ PHE 75 HZ PHE 75 0.543 10.077 0.179 567 H GLN 76 H GLN 76 -5.576 5.173 0.542 568 HA GLN 76 HA GLN 76 -6.348 2.933 2.349 569 HB2 GLN 76 HB2 GLN 76 -8.113 4.654 2.224 570 HB3 GLN 76 HB3 GLN 76 -8.105 4.559 0.468 571 HG2 GLN 76 HG2 GLN 76 -8.880 2.182 0.639 572 HG3 GLN 76 HG3 GLN 76 -8.988 2.386 2.391 573 HE21 GLN 76 HE21 GLN 76 -10.411 3.231 -0.686 574 HE22 GLN 76 HE22 GLN 76 -11.866 3.905 -0.054 575 H CYS 77 H CYS 77 -5.677 1.036 1.485 576 HA CYS 77 HA CYS 77 -5.485 0.670 -1.444 577 HB2 CYS 77 HB2 CYS 77 -3.488 0.049 -0.134 578 HB3 CYS 77 HB3 CYS 77 -4.444 -1.071 0.831 579 HG CYS 77 HG CYS 77 -3.803 -3.060 -0.648 580 H VAL 78 H VAL 78 -7.568 0.199 -2.141 581 HA VAL 78 HA VAL 78 -9.167 -1.892 -0.864 582 HB VAL 78 HB VAL 78 -9.772 -0.283 -3.388 583 HG11 VAL 78 HG11 VAL 78 -11.003 -2.412 -3.363 584 HG12 VAL 78 HG12 VAL 78 -12.113 -1.070 -3.092 585 HG13 VAL 78 HG13 VAL 78 -11.602 -2.076 -1.735 586 HG21 VAL 78 HG21 VAL 78 -9.635 1.186 -1.417 587 HG22 VAL 78 HG22 VAL 78 -10.779 0.158 -0.551 588 HG23 VAL 78 HG23 VAL 78 -11.304 1.052 -1.979 589 H ALA 79 H ALA 79 -8.503 -3.923 -1.280 590 HA ALA 79 HA ALA 79 -7.234 -4.848 -3.673 591 HB1 ALA 79 HB1 ALA 79 -7.520 -7.089 -2.695 592 HB2 ALA 79 HB2 ALA 79 -8.614 -6.429 -1.475 593 HB3 ALA 79 HB3 ALA 79 -6.916 -5.949 -1.491 594 H GLY 80 H GLY 80 -10.561 -4.728 -2.549 595 HA2 GLY 80 HA2 GLY 80 -12.126 -4.623 -4.658 596 HA3 GLY 80 HA3 GLY 80 -11.615 -6.300 -4.817 597 H ASP 81 H ASP 81 -11.614 -7.290 -2.370 598 HA ASP 81 HA ASP 81 -14.402 -7.205 -1.454 599 HB2 ASP 81 HB2 ASP 81 -13.427 -9.405 -1.971 600 HB3 ASP 81 HB3 ASP 81 -12.107 -9.113 -0.844 601 H GLU 82 H GLU 82 -11.104 -7.109 -0.042 602 HA GLU 82 HA GLU 82 -12.115 -5.658 2.331 603 HB2 GLU 82 HB2 GLU 82 -9.462 -7.080 1.856 604 HB3 GLU 82 HB3 GLU 82 -9.899 -6.251 3.347 605 HG2 GLU 82 HG2 GLU 82 -11.491 -8.580 2.242 606 HG3 GLU 82 HG3 GLU 82 -10.113 -8.793 3.311 607 H CYS 83 H CYS 83 -10.790 -3.905 3.199 608 HA CYS 83 HA CYS 83 -9.027 -2.466 1.320 609 HB2 CYS 83 HB2 CYS 83 -10.133 -0.306 1.917 610 HB3 CYS 83 HB3 CYS 83 -11.219 -1.405 1.077 611 HG CYS 83 HG CYS 83 -11.309 -1.387 4.468 612 H ALA 84 H ALA 84 -7.145 -2.047 2.284 613 HA ALA 84 HA ALA 84 -6.843 -2.106 5.205 614 HB1 ALA 84 HB1 ALA 84 -4.731 -2.030 3.015 615 HB2 ALA 84 HB2 ALA 84 -5.309 -3.480 3.835 616 HB3 ALA 84 HB3 ALA 84 -4.426 -2.250 4.741 617 H TYR 85 H TYR 85 -5.931 -0.380 6.376 618 HA TYR 85 HA TYR 85 -6.065 2.269 5.045 619 HB2 TYR 85 HB2 TYR 85 -6.845 1.518 7.891 620 HB3 TYR 85 HB3 TYR 85 -6.812 3.165 7.267 621 HD1 TYR 85 HD2 TYR 85 -8.502 3.892 5.557 622 HD2 TYR 85 HD1 TYR 85 -8.689 0.001 7.330 623 HE1 TYR 85 HE2 TYR 85 -10.817 3.637 4.765 624 HE2 TYR 85 HE1 TYR 85 -11.003 -0.243 6.530 625 HH TYR 85 HH TYR 85 -12.887 1.216 5.890 626 H PHE 86 H PHE 86 -4.343 3.443 5.084 627 HA PHE 86 HA PHE 86 -2.187 3.132 7.087 628 HB2 PHE 86 HB2 PHE 86 -1.896 4.050 4.180 629 HB3 PHE 86 HB3 PHE 86 -0.589 3.835 5.341 630 HD1 PHE 86 HD2 PHE 86 0.124 1.548 6.017 631 HD2 PHE 86 HD1 PHE 86 -2.852 2.147 3.002 632 HE1 PHE 86 HE2 PHE 86 0.383 -0.787 5.287 633 HE2 PHE 86 HE1 PHE 86 -2.585 -0.193 2.283 634 HZ PHE 86 HZ PHE 86 -0.970 -1.659 3.425 635 H THR 87 H THR 87 -1.130 5.143 7.686 636 HA THR 87 HA THR 87 -2.245 7.680 6.698 637 HB THR 87 HB THR 87 -2.180 7.039 9.688 638 HG1 THR 87 HG1 THR 87 -4.224 7.056 7.772 639 HG21 THR 87 HG21 THR 87 -3.205 9.275 10.000 640 HG22 THR 87 HG22 THR 87 -3.035 9.595 8.274 641 HG23 THR 87 HG23 THR 87 -1.597 9.408 9.282 642 H VAL 88 H VAL 88 -0.467 8.685 5.986 643 HA VAL 88 HA VAL 88 2.114 8.448 7.319 644 HB VAL 88 HB VAL 88 1.327 10.009 4.816 645 HG11 VAL 88 HG11 VAL 88 4.108 9.480 5.943 646 HG12 VAL 88 HG12 VAL 88 3.297 11.045 5.877 647 HG13 VAL 88 HG13 VAL 88 3.766 10.233 4.383 648 HG21 VAL 88 HG21 VAL 88 2.493 8.207 3.572 649 HG22 VAL 88 HG22 VAL 88 1.133 7.572 4.502 650 HG23 VAL 88 HG23 VAL 88 2.784 7.348 5.087 651 H THR 89 H THR 89 2.821 9.872 8.793 652 HA THR 89 HA THR 89 1.508 12.515 9.121 653 HB THR 89 HB THR 89 2.396 10.658 11.381 654 HG1 THR 89 HG1 THR 89 -0.078 11.082 10.119 655 HG21 THR 89 HG21 THR 89 0.886 13.308 11.522 656 HG22 THR 89 HG22 THR 89 2.567 13.062 12.003 657 HG23 THR 89 HG23 THR 89 1.270 12.262 12.888 658 H ILE 90 H ILE 90 2.922 14.169 9.027 659 HA ILE 90 HA ILE 90 5.834 13.665 9.398 660 HB ILE 90 HB ILE 90 4.488 15.663 7.518 661 HG12 ILE 90 HG12 ILE 90 5.877 13.003 6.924 662 HG13 ILE 90 HG13 ILE 90 4.174 13.371 6.692 663 HG21 ILE 90 HG21 ILE 90 7.439 14.998 7.830 664 HG22 ILE 90 HG22 ILE 90 6.656 16.498 8.332 665 HG23 ILE 90 HG23 ILE 90 6.751 16.086 6.621 666 HD11 ILE 90 HD11 ILE 90 5.327 13.334 4.589 667 HD12 ILE 90 HD12 ILE 90 6.487 14.535 5.152 668 HD13 ILE 90 HD13 ILE 90 4.790 14.976 4.931 Start of MODEL 7 1 H HIS 1 H1 HIS 1 -19.993 -15.774 -6.882 2 HA HIS 1 HA HIS 1 -18.228 -14.364 -6.092 3 HB2 HIS 1 HB2 HIS 1 -19.645 -12.961 -4.488 4 HB3 HIS 1 HB3 HIS 1 -20.390 -13.359 -6.026 5 HD1 HIS 1 HD1 HIS 1 -22.632 -14.490 -5.946 6 HD2 HIS 1 HD2 HIS 1 -20.751 -14.497 -2.240 7 HE1 HIS 1 HE1 HIS 1 -24.332 -15.362 -4.330 8 HE2 HIS 1 HE2 HIS 1 -23.121 -15.522 -2.141 9 H MET 2 H MET 2 -16.523 -14.172 -4.802 10 HA MET 2 HA MET 2 -16.676 -14.860 -1.947 11 HB2 MET 2 HB2 MET 2 -15.608 -16.817 -3.048 12 HB3 MET 2 HB3 MET 2 -14.417 -15.762 -3.796 13 HG2 MET 2 HG2 MET 2 -13.574 -15.161 -1.533 14 HG3 MET 2 HG3 MET 2 -14.728 -16.295 -0.830 15 HE1 MET 2 HE1 MET 2 -11.553 -16.434 -0.222 16 HE2 MET 2 HE2 MET 2 -11.294 -18.175 -0.344 17 HE3 MET 2 HE3 MET 2 -12.735 -17.557 0.459 18 HA PRO 3 HA PRO 3 -14.915 -10.682 -2.136 19 HB2 PRO 3 HB2 PRO 3 -14.846 -10.113 0.524 20 HB3 PRO 3 HB3 PRO 3 -16.359 -10.179 -0.388 21 HG2 PRO 3 HG2 PRO 3 -15.119 -12.286 1.385 22 HG3 PRO 3 HG3 PRO 3 -16.806 -11.729 1.326 23 HD2 PRO 3 HD2 PRO 3 -15.958 -14.010 0.069 24 HD3 PRO 3 HD3 PRO 3 -17.300 -13.022 -0.548 25 H VAL 4 H VAL 4 -12.833 -10.739 -2.878 26 HA VAL 4 HA VAL 4 -10.645 -12.087 -1.679 27 HB VAL 4 HB VAL 4 -10.549 -11.587 -4.046 28 HG11 VAL 4 HG11 VAL 4 -10.511 -8.623 -3.371 29 HG12 VAL 4 HG12 VAL 4 -11.844 -9.501 -4.120 30 HG13 VAL 4 HG13 VAL 4 -10.317 -9.318 -4.984 31 HG21 VAL 4 HG21 VAL 4 -8.267 -10.650 -4.253 32 HG22 VAL 4 HG22 VAL 4 -8.375 -11.762 -2.890 33 HG23 VAL 4 HG23 VAL 4 -8.366 -10.021 -2.607 34 H HIS 5 H HIS 5 -9.516 -11.591 0.092 35 HA HIS 5 HA HIS 5 -9.780 -8.890 1.286 36 HB2 HIS 5 HB2 HIS 5 -9.729 -11.632 2.586 37 HB3 HIS 5 HB3 HIS 5 -9.373 -10.172 3.506 38 HD1 HIS 5 HD1 HIS 5 -11.874 -9.090 1.245 39 HD2 HIS 5 HD2 HIS 5 -11.910 -11.429 4.683 40 HE1 HIS 5 HE1 HIS 5 -14.199 -8.920 2.150 41 HE2 HIS 5 HE2 HIS 5 -14.151 -10.192 4.305 42 H ILE 6 H ILE 6 -8.120 -8.102 2.565 43 HA ILE 6 HA ILE 6 -5.466 -8.455 1.424 44 HB ILE 6 HB ILE 6 -6.504 -6.477 3.507 45 HG12 ILE 6 HG12 ILE 6 -6.166 -5.997 0.507 46 HG13 ILE 6 HG13 ILE 6 -7.699 -6.454 1.237 47 HG21 ILE 6 HG21 ILE 6 -4.552 -5.079 2.868 48 HG22 ILE 6 HG22 ILE 6 -3.979 -6.365 1.802 49 HG23 ILE 6 HG23 ILE 6 -4.048 -6.629 3.546 50 HD11 ILE 6 HD11 ILE 6 -7.547 -4.085 0.803 51 HD12 ILE 6 HD12 ILE 6 -6.147 -3.960 1.868 52 HD13 ILE 6 HD13 ILE 6 -7.726 -4.419 2.524 53 H VAL 7 H VAL 7 -4.276 -10.035 2.279 54 HA VAL 7 HA VAL 7 -4.636 -11.015 4.991 55 HB VAL 7 HB VAL 7 -3.007 -12.776 4.326 56 HG11 VAL 7 HG11 VAL 7 -5.213 -12.352 2.259 57 HG12 VAL 7 HG12 VAL 7 -5.402 -13.124 3.835 58 HG13 VAL 7 HG13 VAL 7 -4.398 -13.883 2.601 59 HG21 VAL 7 HG21 VAL 7 -2.851 -11.313 1.654 60 HG22 VAL 7 HG22 VAL 7 -2.143 -12.893 2.003 61 HG23 VAL 7 HG23 VAL 7 -1.545 -11.458 2.836 62 H ASP 8 H ASP 8 -2.459 -8.862 3.361 63 HA ASP 8 HA ASP 8 -0.932 -8.322 5.795 64 HB2 ASP 8 HB2 ASP 8 0.396 -10.087 4.756 65 HB3 ASP 8 HB3 ASP 8 0.336 -9.281 3.194 66 HA PRO 9 HA PRO 9 0.166 -6.724 6.722 67 HB2 PRO 9 HB2 PRO 9 -0.028 -4.233 7.764 68 HB3 PRO 9 HB3 PRO 9 1.284 -4.665 6.656 69 HG2 PRO 9 HG2 PRO 9 -1.307 -3.232 6.045 70 HG3 PRO 9 HG3 PRO 9 0.345 -2.794 5.561 71 HD2 PRO 9 HD2 PRO 9 -1.369 -4.123 3.900 72 HD3 PRO 9 HD3 PRO 9 0.394 -4.355 3.838 73 H ARG 10 H ARG 10 -2.802 -5.852 5.449 74 HA ARG 10 HA ARG 10 -4.906 -6.367 5.913 75 HB2 ARG 10 HB2 ARG 10 -3.849 -8.337 7.093 76 HB3 ARG 10 HB3 ARG 10 -3.975 -7.434 8.603 77 HG2 ARG 10 HG2 ARG 10 -6.408 -7.357 8.373 78 HG3 ARG 10 HG3 ARG 10 -6.302 -8.185 6.817 79 HD2 ARG 10 HD2 ARG 10 -5.553 -9.310 9.532 80 HD3 ARG 10 HD3 ARG 10 -6.921 -9.792 8.521 81 HE ARG 10 HE ARG 10 -4.369 -10.129 7.221 82 HH11 ARG 10 HH11 ARG 10 -6.608 -11.678 9.360 83 HH12 ARG 10 HH12 ARG 10 -5.970 -13.247 9.032 84 HH21 ARG 10 HH21 ARG 10 -3.573 -12.143 6.846 85 HH22 ARG 10 HH22 ARG 10 -4.282 -13.508 7.628 86 H GLU 11 H GLU 11 -3.615 -5.365 9.090 87 HA GLU 11 HA GLU 11 -5.985 -3.925 9.828 88 HB2 GLU 11 HB2 GLU 11 -4.771 -3.471 11.919 89 HB3 GLU 11 HB3 GLU 11 -4.633 -5.166 11.460 90 HG2 GLU 11 HG2 GLU 11 -2.343 -4.735 10.592 91 HG3 GLU 11 HG3 GLU 11 -2.480 -3.045 11.084 92 H HIS 12 H HIS 12 -5.583 -1.709 10.987 93 HA HIS 12 HA HIS 12 -4.794 0.293 9.071 94 HB2 HIS 12 HB2 HIS 12 -6.741 0.513 10.648 95 HB3 HIS 12 HB3 HIS 12 -5.619 0.589 11.996 96 HD1 HIS 12 HD1 HIS 12 -7.571 2.701 9.937 97 HD2 HIS 12 HD2 HIS 12 -3.773 3.008 11.607 98 HE1 HIS 12 HE1 HIS 12 -7.051 5.153 9.986 99 HE2 HIS 12 HE2 HIS 12 -4.883 5.310 11.234 100 H VAL 13 H VAL 13 -2.654 0.639 8.733 101 HA VAL 13 HA VAL 13 -0.681 0.462 10.931 102 HB VAL 13 HB VAL 13 -0.241 0.598 7.908 103 HG11 VAL 13 HG11 VAL 13 1.718 1.468 9.113 104 HG12 VAL 13 HG12 VAL 13 2.094 -0.091 8.382 105 HG13 VAL 13 HG13 VAL 13 1.778 0.015 10.114 106 HG21 VAL 13 HG21 VAL 13 0.289 -1.823 8.051 107 HG22 VAL 13 HG22 VAL 13 -1.372 -1.493 8.543 108 HG23 VAL 13 HG23 VAL 13 -0.140 -1.817 9.765 109 H PHE 14 H PHE 14 0.543 2.219 11.575 110 HA PHE 14 HA PHE 14 0.064 4.884 10.387 111 HB2 PHE 14 HB2 PHE 14 -0.282 4.688 12.834 112 HB3 PHE 14 HB3 PHE 14 1.352 4.072 13.039 113 HD1 PHE 14 HD1 PHE 14 -0.666 7.083 12.273 114 HD2 PHE 14 HD2 PHE 14 3.263 5.601 13.084 115 HE1 PHE 14 HE1 PHE 14 0.148 9.382 12.576 116 HE2 PHE 14 HE2 PHE 14 4.066 7.911 13.389 117 HZ PHE 14 HZ PHE 14 2.506 9.800 13.131 118 H VAL 15 H VAL 15 1.707 5.990 9.372 119 HA VAL 15 HA VAL 15 4.493 4.989 9.509 120 HB VAL 15 HB VAL 15 3.112 6.036 6.984 121 HG11 VAL 15 HG11 VAL 15 5.969 5.048 7.356 122 HG12 VAL 15 HG12 VAL 15 5.479 6.712 7.040 123 HG13 VAL 15 HG13 VAL 15 5.231 5.475 5.808 124 HG21 VAL 15 HG21 VAL 15 4.055 3.219 7.649 125 HG22 VAL 15 HG22 VAL 15 3.434 3.737 6.081 126 HG23 VAL 15 HG23 VAL 15 2.379 3.746 7.495 127 H HIS 16 H HIS 16 5.776 6.570 10.363 128 HA HIS 16 HA HIS 16 5.030 9.395 10.167 129 HB2 HIS 16 HB2 HIS 16 5.926 8.585 12.321 130 HB3 HIS 16 HB3 HIS 16 7.425 8.097 11.538 131 HD1 HIS 16 HD1 HIS 16 9.241 9.815 11.496 132 HD2 HIS 16 HD2 HIS 16 5.510 11.515 12.189 133 HE1 HIS 16 HE1 HIS 16 9.676 12.249 11.892 134 HE2 HIS 16 HE2 HIS 16 7.402 13.282 12.128 135 H ALA 17 H ALA 17 5.416 10.247 8.230 136 HA ALA 17 HA ALA 17 7.660 9.501 6.526 137 HB1 ALA 17 HB1 ALA 17 5.387 11.464 6.095 138 HB2 ALA 17 HB2 ALA 17 5.408 9.773 5.594 139 HB3 ALA 17 HB3 ALA 17 6.534 10.918 4.864 140 H ILE 18 H ILE 18 9.176 10.958 5.690 141 HA ILE 18 HA ILE 18 9.343 13.725 6.749 142 HB ILE 18 HB ILE 18 11.661 11.822 6.153 143 HG12 ILE 18 HG12 ILE 18 10.627 11.443 8.386 144 HG13 ILE 18 HG13 ILE 18 12.278 12.032 8.528 145 HG21 ILE 18 HG21 ILE 18 12.283 14.044 5.359 146 HG22 ILE 18 HG22 ILE 18 13.209 13.648 6.807 147 HG23 ILE 18 HG23 ILE 18 11.841 14.761 6.912 148 HD11 ILE 18 HD11 ILE 18 10.843 13.050 10.186 149 HD12 ILE 18 HD12 ILE 18 9.762 13.656 8.934 150 HD13 ILE 18 HD13 ILE 18 11.411 14.278 9.056 151 H THR 19 H THR 19 9.823 15.283 5.177 152 HA THR 19 HA THR 19 8.966 14.967 2.552 153 HB THR 19 HB THR 19 10.136 17.183 2.075 154 HG1 THR 19 HG1 THR 19 11.177 18.198 3.836 155 HG21 THR 19 HG21 THR 19 8.739 18.513 3.610 156 HG22 THR 19 HG22 THR 19 8.475 17.093 4.619 157 HG23 THR 19 HG23 THR 19 7.830 17.137 2.977 158 H SER 20 H SER 20 12.295 14.823 3.778 159 HA SER 20 HA SER 20 13.507 14.561 1.151 160 HB2 SER 20 HB2 SER 20 14.674 15.750 2.991 161 HB3 SER 20 HB3 SER 20 14.758 14.255 3.914 162 HG SER 20 HG SER 20 15.804 13.938 1.411 163 H GLU 21 H GLU 21 11.883 12.305 3.021 164 HA GLU 21 HA GLU 21 13.606 10.028 2.193 165 HB2 GLU 21 HB2 GLU 21 11.591 10.161 4.478 166 HB3 GLU 21 HB3 GLU 21 12.579 8.761 4.063 167 HG2 GLU 21 HG2 GLU 21 13.593 11.450 5.058 168 HG3 GLU 21 HG3 GLU 21 13.484 9.966 6.001 169 H CYS 22 H CYS 22 12.600 8.110 1.466 170 HA CYS 22 HA CYS 22 10.172 8.536 -0.127 171 HB2 CYS 22 HB2 CYS 22 12.188 6.250 -0.207 172 HB3 CYS 22 HB3 CYS 22 10.879 6.518 -1.358 173 HG CYS 22 HG CYS 22 12.580 9.266 -1.286 174 H VAL 23 H VAL 23 8.248 7.745 0.526 175 HA VAL 23 HA VAL 23 8.098 5.793 2.741 176 HB VAL 23 HB VAL 23 5.978 7.647 1.555 177 HG11 VAL 23 HG11 VAL 23 4.859 5.597 2.337 178 HG12 VAL 23 HG12 VAL 23 4.489 6.939 3.420 179 HG13 VAL 23 HG13 VAL 23 5.674 5.720 3.896 180 HG21 VAL 23 HG21 VAL 23 7.702 8.788 2.896 181 HG22 VAL 23 HG22 VAL 23 7.399 7.693 4.247 182 HG23 VAL 23 HG23 VAL 23 6.146 8.820 3.726 183 H MET 24 H MET 24 7.835 3.722 2.255 184 HA MET 24 HA MET 24 6.497 2.879 -0.256 185 HB2 MET 24 HB2 MET 24 8.481 1.387 1.520 186 HB3 MET 24 HB3 MET 24 7.724 0.723 0.078 187 HG2 MET 24 HG2 MET 24 8.857 2.402 -1.302 188 HG3 MET 24 HG3 MET 24 9.587 3.107 0.140 189 HE1 MET 24 HE1 MET 24 9.089 -0.795 -0.359 190 HE2 MET 24 HE2 MET 24 10.565 -1.213 -1.229 191 HE3 MET 24 HE3 MET 24 9.333 -0.223 -2.009 192 H LEU 25 H LEU 25 4.358 2.913 0.469 193 HA LEU 25 HA LEU 25 3.428 1.411 2.774 194 HB2 LEU 25 HB2 LEU 25 1.867 2.573 0.429 195 HB3 LEU 25 HB3 LEU 25 1.178 2.019 1.951 196 HG LEU 25 HG LEU 25 3.045 4.406 1.637 197 HD11 LEU 25 HD11 LEU 25 0.049 4.363 2.110 198 HD12 LEU 25 HD12 LEU 25 0.864 4.846 0.621 199 HD13 LEU 25 HD13 LEU 25 1.078 5.799 2.086 200 HD21 LEU 25 HD21 LEU 25 3.298 3.355 3.836 201 HD22 LEU 25 HD22 LEU 25 1.552 3.416 4.094 202 HD23 LEU 25 HD23 LEU 25 2.485 4.910 3.986 203 H ALA 26 H ALA 26 3.307 -0.833 2.714 204 HA ALA 26 HA ALA 26 3.155 -2.227 0.119 205 HB1 ALA 26 HB1 ALA 26 3.817 -4.234 1.352 206 HB2 ALA 26 HB2 ALA 26 3.709 -3.355 2.878 207 HB3 ALA 26 HB3 ALA 26 4.929 -2.905 1.688 208 H CYS 27 H CYS 27 1.503 -3.589 -0.460 209 HA CYS 27 HA CYS 27 -0.522 -4.432 1.494 210 HB2 CYS 27 HB2 CYS 27 -1.552 -2.493 0.382 211 HB3 CYS 27 HB3 CYS 27 -1.236 -3.201 -1.201 212 HG CYS 27 HG CYS 27 -4.006 -3.364 -0.218 213 H GLU 28 H GLU 28 -1.397 -6.442 1.075 214 HA GLU 28 HA GLU 28 -0.772 -7.943 -1.340 215 HB2 GLU 28 HB2 GLU 28 1.184 -8.484 0.082 216 HB3 GLU 28 HB3 GLU 28 0.121 -8.894 1.427 217 HG2 GLU 28 HG2 GLU 28 -0.853 -10.738 -0.033 218 HG3 GLU 28 HG3 GLU 28 0.421 -10.381 -1.199 219 H VAL 29 H VAL 29 -2.493 -9.116 -1.890 220 HA VAL 29 HA VAL 29 -4.560 -9.841 0.111 221 HB VAL 29 HB VAL 29 -6.128 -10.018 -1.862 222 HG11 VAL 29 HG11 VAL 29 -6.106 -7.979 -0.503 223 HG12 VAL 29 HG12 VAL 29 -6.395 -7.576 -2.195 224 HG13 VAL 29 HG13 VAL 29 -4.801 -7.309 -1.486 225 HG21 VAL 29 HG21 VAL 29 -5.481 -9.000 -4.021 226 HG22 VAL 29 HG22 VAL 29 -4.466 -10.392 -3.645 227 HG23 VAL 29 HG23 VAL 29 -3.836 -8.759 -3.423 228 H ASP 30 H ASP 30 -5.856 -11.878 -0.717 229 HA ASP 30 HA ASP 30 -4.036 -14.094 -0.715 230 HB2 ASP 30 HB2 ASP 30 -6.074 -15.499 -0.649 231 HB3 ASP 30 HB3 ASP 30 -6.133 -14.207 0.539 232 H ARG 31 H ARG 31 -5.371 -12.279 -3.272 233 HA ARG 31 HA ARG 31 -4.799 -14.393 -5.290 234 HB2 ARG 31 HB2 ARG 31 -6.922 -12.203 -5.361 235 HB3 ARG 31 HB3 ARG 31 -6.491 -13.184 -6.761 236 HG2 ARG 31 HG2 ARG 31 -7.266 -15.202 -5.653 237 HG3 ARG 31 HG3 ARG 31 -7.571 -14.312 -4.160 238 HD2 ARG 31 HD2 ARG 31 -9.358 -13.045 -5.222 239 HD3 ARG 31 HD3 ARG 31 -8.983 -13.759 -6.790 240 HE ARG 31 HE ARG 31 -10.030 -15.717 -6.167 241 HH11 ARG 31 HH11 ARG 31 -9.934 -13.653 -3.372 242 HH12 ARG 31 HH12 ARG 31 -11.174 -14.538 -2.566 243 HH21 ARG 31 HH21 ARG 31 -11.590 -16.806 -5.114 244 HH22 ARG 31 HH22 ARG 31 -12.087 -16.317 -3.536 245 H GLU 32 H GLU 32 -2.944 -13.895 -6.397 246 HA GLU 32 HA GLU 32 -1.751 -11.392 -6.811 247 HB2 GLU 32 HB2 GLU 32 -0.551 -13.460 -7.306 248 HB3 GLU 32 HB3 GLU 32 -1.717 -13.902 -8.549 249 HG2 GLU 32 HG2 GLU 32 -0.980 -11.944 -9.896 250 HG3 GLU 32 HG3 GLU 32 0.227 -11.571 -8.670 251 H ASP 33 H ASP 33 -4.274 -13.060 -8.566 252 HA ASP 33 HA ASP 33 -4.686 -11.592 -10.852 253 HB2 ASP 33 HB2 ASP 33 -5.778 -13.743 -10.254 254 HB3 ASP 33 HB3 ASP 33 -6.759 -12.912 -9.054 255 H ALA 34 H ALA 34 -5.477 -10.606 -7.567 256 HA ALA 34 HA ALA 34 -7.196 -8.372 -8.438 257 HB1 ALA 34 HB1 ALA 34 -7.795 -8.156 -6.066 258 HB2 ALA 34 HB2 ALA 34 -6.621 -9.405 -5.639 259 HB3 ALA 34 HB3 ALA 34 -8.029 -9.814 -6.619 260 HA PRO 35 HA PRO 35 -3.606 -5.607 -7.508 261 HB2 PRO 35 HB2 PRO 35 -4.474 -3.775 -9.551 262 HB3 PRO 35 HB3 PRO 35 -3.113 -4.889 -9.637 263 HG2 PRO 35 HG2 PRO 35 -5.445 -5.066 -11.186 264 HG3 PRO 35 HG3 PRO 35 -4.274 -6.375 -10.941 265 HD2 PRO 35 HD2 PRO 35 -6.911 -5.903 -9.568 266 HD3 PRO 35 HD3 PRO 35 -6.154 -7.430 -10.074 267 H VAL 36 H VAL 36 -3.979 -4.321 -5.730 268 HA VAL 36 HA VAL 36 -6.639 -3.598 -4.961 269 HB VAL 36 HB VAL 36 -5.679 -2.702 -2.898 270 HG11 VAL 36 HG11 VAL 36 -5.873 -5.149 -3.072 271 HG12 VAL 36 HG12 VAL 36 -4.494 -4.705 -2.069 272 HG13 VAL 36 HG13 VAL 36 -4.237 -5.251 -3.729 273 HG21 VAL 36 HG21 VAL 36 -3.221 -2.568 -2.514 274 HG22 VAL 36 HG22 VAL 36 -3.743 -1.467 -3.787 275 HG23 VAL 36 HG23 VAL 36 -2.939 -2.978 -4.209 276 H ARG 37 H ARG 37 -7.394 -1.465 -4.352 277 HA ARG 37 HA ARG 37 -6.743 0.540 -6.407 278 HB2 ARG 37 HB2 ARG 37 -9.119 0.366 -4.498 279 HB3 ARG 37 HB3 ARG 37 -8.936 1.542 -5.796 280 HG2 ARG 37 HG2 ARG 37 -9.210 -1.459 -6.174 281 HG3 ARG 37 HG3 ARG 37 -10.522 -0.288 -6.331 282 HD2 ARG 37 HD2 ARG 37 -9.278 0.805 -8.194 283 HD3 ARG 37 HD3 ARG 37 -8.028 -0.441 -8.061 284 HE ARG 37 HE ARG 37 -10.407 -1.805 -8.372 285 HH11 ARG 37 HH11 ARG 37 -8.668 0.504 -10.283 286 HH12 ARG 37 HH12 ARG 37 -9.285 -0.111 -11.772 287 HH21 ARG 37 HH21 ARG 37 -11.190 -2.560 -10.275 288 HH22 ARG 37 HH22 ARG 37 -10.711 -1.836 -11.768 289 H TRP 38 H TRP 38 -5.220 1.956 -5.742 290 HA TRP 38 HA TRP 38 -4.877 2.672 -2.940 291 HB2 TRP 38 HB2 TRP 38 -3.327 3.347 -5.474 292 HB3 TRP 38 HB3 TRP 38 -2.950 4.088 -3.922 293 HD1 TRP 38 HD1 TRP 38 -2.454 0.852 -5.870 294 HE1 TRP 38 HE1 TRP 38 -0.924 -0.705 -4.504 295 HE3 TRP 38 HE3 TRP 38 -2.370 3.440 -1.451 296 HZ2 TRP 38 HZ2 TRP 38 0.151 -0.836 -1.902 297 HZ3 TRP 38 HZ3 TRP 38 -1.066 2.532 0.430 298 HH2 TRP 38 HH2 TRP 38 0.173 0.432 0.204 299 H TYR 39 H TYR 39 -5.913 4.328 -2.041 300 HA TYR 39 HA TYR 39 -6.838 6.620 -3.688 301 HB2 TYR 39 HB2 TYR 39 -8.162 5.401 -1.229 302 HB3 TYR 39 HB3 TYR 39 -8.651 6.935 -1.942 303 HD1 TYR 39 HD2 TYR 39 -9.517 6.952 -4.345 304 HD2 TYR 39 HD1 TYR 39 -8.998 3.334 -2.132 305 HE1 TYR 39 HE2 TYR 39 -10.994 5.776 -5.918 306 HE2 TYR 39 HE1 TYR 39 -10.474 2.163 -3.711 307 HH TYR 39 HH TYR 39 -11.308 3.379 -6.695 308 H LYS 40 H LYS 40 -6.236 8.563 -3.126 309 HA LYS 40 HA LYS 40 -4.904 9.191 -0.587 310 HB2 LYS 40 HB2 LYS 40 -3.982 10.004 -2.772 311 HB3 LYS 40 HB3 LYS 40 -5.482 10.854 -3.096 312 HG2 LYS 40 HG2 LYS 40 -3.787 12.421 -2.406 313 HG3 LYS 40 HG3 LYS 40 -5.042 12.340 -1.166 314 HD2 LYS 40 HD2 LYS 40 -3.605 10.899 0.221 315 HD3 LYS 40 HD3 LYS 40 -2.364 10.902 -1.036 316 HE2 LYS 40 HE2 LYS 40 -3.332 13.338 0.485 317 HE3 LYS 40 HE3 LYS 40 -1.832 12.460 0.790 318 HZ1 LYS 40 HZ1 LYS 40 -2.523 13.863 -1.734 319 HZ2 LYS 40 HZ2 LYS 40 -1.074 13.045 -1.425 320 HZ3 LYS 40 HZ3 LYS 40 -1.467 14.436 -0.547 321 H ASP 41 H ASP 41 -5.812 11.289 0.524 322 HA ASP 41 HA ASP 41 -8.531 11.135 1.163 323 HB2 ASP 41 HB2 ASP 41 -6.835 12.298 2.555 324 HB3 ASP 41 HB3 ASP 41 -6.725 13.582 1.354 325 H GLY 42 H GLY 42 -10.139 11.318 -0.291 326 HA2 GLY 42 HA2 GLY 42 -11.737 12.609 -1.449 327 HA3 GLY 42 HA3 GLY 42 -10.518 13.815 -1.811 328 H GLN 43 H GLN 43 -8.585 12.065 -2.982 329 HA GLN 43 HA GLN 43 -9.889 11.338 -5.559 330 HB2 GLN 43 HB2 GLN 43 -7.916 12.302 -6.715 331 HB3 GLN 43 HB3 GLN 43 -8.742 13.522 -5.753 332 HG2 GLN 43 HG2 GLN 43 -7.009 13.218 -3.969 333 HG3 GLN 43 HG3 GLN 43 -6.151 12.105 -5.031 334 HE21 GLN 43 HE21 GLN 43 -5.126 12.947 -6.890 335 HE22 GLN 43 HE22 GLN 43 -4.759 14.623 -7.052 336 H GLU 44 H GLU 44 -8.682 9.669 -6.821 337 HA GLU 44 HA GLU 44 -7.378 7.726 -5.097 338 HB2 GLU 44 HB2 GLU 44 -7.418 6.207 -6.976 339 HB3 GLU 44 HB3 GLU 44 -8.981 7.008 -6.859 340 HG2 GLU 44 HG2 GLU 44 -8.309 8.534 -8.703 341 HG3 GLU 44 HG3 GLU 44 -6.785 7.661 -8.850 342 H VAL 45 H VAL 45 -5.281 6.851 -5.438 343 HA VAL 45 HA VAL 45 -3.237 8.767 -6.030 344 HB VAL 45 HB VAL 45 -3.032 5.798 -5.363 345 HG11 VAL 45 HG11 VAL 45 -1.016 6.485 -6.586 346 HG12 VAL 45 HG12 VAL 45 -0.634 6.202 -4.890 347 HG13 VAL 45 HG13 VAL 45 -0.789 7.853 -5.493 348 HG21 VAL 45 HG21 VAL 45 -2.601 8.244 -3.601 349 HG22 VAL 45 HG22 VAL 45 -2.397 6.562 -3.103 350 HG23 VAL 45 HG23 VAL 45 -3.994 7.161 -3.547 351 H GLU 46 H GLU 46 -2.913 9.315 -8.093 352 HA GLU 46 HA GLU 46 -2.751 7.292 -10.238 353 HB2 GLU 46 HB2 GLU 46 -2.792 10.342 -10.369 354 HB3 GLU 46 HB3 GLU 46 -2.733 9.268 -11.768 355 HG2 GLU 46 HG2 GLU 46 -4.942 8.378 -11.232 356 HG3 GLU 46 HG3 GLU 46 -4.996 9.321 -9.744 357 H GLU 47 H GLU 47 -0.841 6.936 -11.361 358 HA GLU 47 HA GLU 47 1.635 7.587 -10.061 359 HB2 GLU 47 HB2 GLU 47 1.106 6.221 -12.729 360 HB3 GLU 47 HB3 GLU 47 2.682 6.320 -11.944 361 HG2 GLU 47 HG2 GLU 47 1.744 5.050 -10.000 362 HG3 GLU 47 HG3 GLU 47 0.227 4.878 -10.885 363 H SER 48 H SER 48 3.352 8.801 -10.868 364 HA SER 48 HA SER 48 3.176 10.656 -13.052 365 HB2 SER 48 HB2 SER 48 1.601 11.695 -11.379 366 HB3 SER 48 HB3 SER 48 2.909 11.755 -10.200 367 HG SER 48 HG SER 48 2.383 13.371 -12.370 368 H ASP 49 H ASP 49 5.025 12.552 -12.247 369 HA ASP 49 HA ASP 49 7.547 11.260 -12.064 370 HB2 ASP 49 HB2 ASP 49 6.804 14.157 -11.447 371 HB3 ASP 49 HB3 ASP 49 8.433 13.563 -11.779 372 H PHE 50 H PHE 50 5.436 12.773 -9.663 373 HA PHE 50 HA PHE 50 7.324 12.400 -7.457 374 HB2 PHE 50 HB2 PHE 50 4.532 13.637 -7.504 375 HB3 PHE 50 HB3 PHE 50 5.605 13.621 -6.109 376 HD1 PHE 50 HD2 PHE 50 5.089 15.046 -9.493 377 HD2 PHE 50 HD1 PHE 50 7.473 15.186 -5.941 378 HE1 PHE 50 HE2 PHE 50 6.130 17.140 -10.269 379 HE2 PHE 50 HE1 PHE 50 8.510 17.278 -6.731 380 HZ PHE 50 HZ PHE 50 7.844 18.253 -8.892 381 H VAL 51 H VAL 51 4.993 10.430 -8.910 382 HA VAL 51 HA VAL 51 4.588 8.828 -6.442 383 HB VAL 51 HB VAL 51 2.393 9.295 -8.519 384 HG11 VAL 51 HG11 VAL 51 0.917 8.111 -6.930 385 HG12 VAL 51 HG12 VAL 51 2.284 7.833 -5.849 386 HG13 VAL 51 HG13 VAL 51 2.258 7.086 -7.448 387 HG21 VAL 51 HG21 VAL 51 2.562 10.481 -5.720 388 HG22 VAL 51 HG22 VAL 51 1.183 10.617 -6.814 389 HG23 VAL 51 HG23 VAL 51 2.721 11.369 -7.237 390 H VAL 52 H VAL 52 5.352 6.749 -6.798 391 HA VAL 52 HA VAL 52 4.836 5.482 -9.426 392 HB VAL 52 HB VAL 52 7.038 4.252 -9.276 393 HG11 VAL 52 HG11 VAL 52 8.432 6.098 -10.153 394 HG12 VAL 52 HG12 VAL 52 7.280 7.277 -9.522 395 HG13 VAL 52 HG13 VAL 52 6.791 6.164 -10.802 396 HG21 VAL 52 HG21 VAL 52 8.859 5.149 -7.846 397 HG22 VAL 52 HG22 VAL 52 7.520 4.541 -6.873 398 HG23 VAL 52 HG23 VAL 52 7.722 6.279 -7.101 399 H LEU 53 H LEU 53 3.764 3.591 -9.244 400 HA LEU 53 HA LEU 53 3.467 2.290 -6.633 401 HB2 LEU 53 HB2 LEU 53 2.127 1.689 -9.303 402 HB3 LEU 53 HB3 LEU 53 1.778 0.846 -7.798 403 HG LEU 53 HG LEU 53 1.242 3.795 -8.358 404 HD11 LEU 53 HD11 LEU 53 -1.137 3.208 -8.258 405 HD12 LEU 53 HD12 LEU 53 -0.724 1.502 -8.062 406 HD13 LEU 53 HD13 LEU 53 -0.312 2.348 -9.558 407 HD21 LEU 53 HD21 LEU 53 0.623 2.201 -5.840 408 HD22 LEU 53 HD22 LEU 53 0.083 3.850 -6.177 409 HD23 LEU 53 HD23 LEU 53 1.801 3.508 -5.997 410 H GLU 54 H GLU 54 4.491 0.437 -6.063 411 HA GLU 54 HA GLU 54 6.350 -0.839 -7.975 412 HB2 GLU 54 HB2 GLU 54 6.865 0.096 -5.490 413 HB3 GLU 54 HB3 GLU 54 6.295 -1.494 -5.018 414 HG2 GLU 54 HG2 GLU 54 8.622 -0.933 -6.881 415 HG3 GLU 54 HG3 GLU 54 8.760 -1.313 -5.168 416 H ASN 55 H ASN 55 6.375 -3.219 -8.140 417 HA ASN 55 HA ASN 55 3.830 -4.560 -7.476 418 HB2 ASN 55 HB2 ASN 55 3.550 -5.356 -9.782 419 HB3 ASN 55 HB3 ASN 55 3.566 -3.603 -9.738 420 HD21 ASN 55 HD21 ASN 55 6.483 -3.332 -9.644 421 HD22 ASN 55 HD22 ASN 55 7.061 -3.789 -11.192 422 H GLU 56 H GLU 56 4.033 -6.648 -6.854 423 HA GLU 56 HA GLU 56 5.999 -8.445 -7.960 424 HB2 GLU 56 HB2 GLU 56 7.325 -7.280 -6.130 425 HB3 GLU 56 HB3 GLU 56 6.187 -7.931 -4.955 426 HG2 GLU 56 HG2 GLU 56 6.812 -10.242 -5.721 427 HG3 GLU 56 HG3 GLU 56 8.049 -9.527 -6.754 428 H GLY 57 H GLY 57 4.030 -9.433 -8.592 429 HA2 GLY 57 HA2 GLY 57 2.438 -11.067 -8.507 430 HA3 GLY 57 HA3 GLY 57 3.135 -11.572 -6.981 431 HA PRO 58 HA PRO 58 -0.966 -10.188 -5.417 432 HB2 PRO 58 HB2 PRO 58 0.114 -11.122 -2.798 433 HB3 PRO 58 HB3 PRO 58 -1.359 -11.612 -3.642 434 HG2 PRO 58 HG2 PRO 58 0.759 -13.258 -3.480 435 HG3 PRO 58 HG3 PRO 58 -0.242 -13.195 -4.948 436 HD2 PRO 58 HD2 PRO 58 2.438 -11.894 -4.427 437 HD3 PRO 58 HD3 PRO 58 1.876 -12.779 -5.867 438 H HIS 59 H HIS 59 2.216 -9.192 -4.516 439 HA HIS 59 HA HIS 59 1.441 -7.173 -2.575 440 HB2 HIS 59 HB2 HIS 59 4.133 -7.760 -3.869 441 HB3 HIS 59 HB3 HIS 59 3.870 -6.574 -2.594 442 HD1 HIS 59 HD1 HIS 59 3.736 -7.412 -0.227 443 HD2 HIS 59 HD2 HIS 59 3.933 -10.488 -3.010 444 HE1 HIS 59 HE1 HIS 59 4.245 -9.473 1.096 445 HE2 HIS 59 HE2 HIS 59 4.119 -11.338 -0.576 446 H ARG 60 H ARG 60 0.544 -5.335 -3.255 447 HA ARG 60 HA ARG 60 1.710 -3.827 -5.533 448 HB2 ARG 60 HB2 ARG 60 -1.029 -3.361 -4.260 449 HB3 ARG 60 HB3 ARG 60 -0.421 -2.670 -5.762 450 HG2 ARG 60 HG2 ARG 60 -1.114 -5.593 -5.285 451 HG3 ARG 60 HG3 ARG 60 -2.111 -4.426 -6.157 452 HD2 ARG 60 HD2 ARG 60 -0.455 -4.247 -7.921 453 HD3 ARG 60 HD3 ARG 60 0.697 -5.229 -7.009 454 HE ARG 60 HE ARG 60 -1.639 -6.731 -7.384 455 HH11 ARG 60 HH11 ARG 60 0.984 -5.518 -9.294 456 HH12 ARG 60 HH12 ARG 60 0.842 -6.771 -10.471 457 HH21 ARG 60 HH21 ARG 60 -1.766 -8.346 -8.880 458 HH22 ARG 60 HH22 ARG 60 -0.689 -8.359 -10.231 459 H ARG 61 H ARG 61 2.849 -2.039 -4.905 460 HA ARG 61 HA ARG 61 2.563 -0.988 -2.148 461 HB2 ARG 61 HB2 ARG 61 5.098 -1.103 -3.833 462 HB3 ARG 61 HB3 ARG 61 4.974 -0.408 -2.221 463 HG2 ARG 61 HG2 ARG 61 4.487 -2.649 -1.300 464 HG3 ARG 61 HG3 ARG 61 4.599 -3.343 -2.920 465 HD2 ARG 61 HD2 ARG 61 6.963 -2.585 -3.059 466 HD3 ARG 61 HD3 ARG 61 6.845 -1.950 -1.412 467 HE ARG 61 HE ARG 61 6.434 -4.828 -1.987 468 HH11 ARG 61 HH11 ARG 61 8.061 -2.373 -0.171 469 HH12 ARG 61 HH12 ARG 61 9.048 -3.513 0.670 470 HH21 ARG 61 HH21 ARG 61 7.733 -6.255 -0.880 471 HH22 ARG 61 HH22 ARG 61 8.871 -5.661 0.276 472 H LEU 62 H LEU 62 2.830 1.229 -1.842 473 HA LEU 62 HA LEU 62 2.835 3.032 -4.190 474 HB2 LEU 62 HB2 LEU 62 0.859 2.995 -2.496 475 HB3 LEU 62 HB3 LEU 62 1.960 3.745 -1.363 476 HG LEU 62 HG LEU 62 1.033 4.956 -4.009 477 HD11 LEU 62 HD11 LEU 62 0.207 5.644 -1.175 478 HD12 LEU 62 HD12 LEU 62 -0.780 4.835 -2.394 479 HD13 LEU 62 HD13 LEU 62 -0.286 6.506 -2.637 480 HD21 LEU 62 HD21 LEU 62 2.033 7.081 -3.252 481 HD22 LEU 62 HD22 LEU 62 3.261 5.833 -3.439 482 HD23 LEU 62 HD23 LEU 62 2.698 6.276 -1.826 483 H VAL 63 H VAL 63 4.877 3.770 -4.514 484 HA VAL 63 HA VAL 63 6.611 4.411 -2.196 485 HB VAL 63 HB VAL 63 7.471 3.991 -5.100 486 HG11 VAL 63 HG11 VAL 63 9.146 4.267 -2.569 487 HG12 VAL 63 HG12 VAL 63 9.010 5.457 -3.864 488 HG13 VAL 63 HG13 VAL 63 9.779 3.900 -4.177 489 HG21 VAL 63 HG21 VAL 63 7.660 2.034 -2.768 490 HG22 VAL 63 HG22 VAL 63 8.379 1.795 -4.362 491 HG23 VAL 63 HG23 VAL 63 6.626 1.870 -4.192 492 H LEU 64 H LEU 64 6.368 6.493 -1.684 493 HA LEU 64 HA LEU 64 6.116 8.596 -3.740 494 HB2 LEU 64 HB2 LEU 64 4.694 8.262 -1.410 495 HB3 LEU 64 HB3 LEU 64 5.972 9.292 -0.814 496 HG LEU 64 HG LEU 64 4.092 10.691 -1.364 497 HD11 LEU 64 HD11 LEU 64 6.273 11.656 -1.955 498 HD12 LEU 64 HD12 LEU 64 4.974 12.270 -2.970 499 HD13 LEU 64 HD13 LEU 64 6.091 11.059 -3.606 500 HD21 LEU 64 HD21 LEU 64 4.060 9.460 -4.137 501 HD22 LEU 64 HD22 LEU 64 3.013 10.762 -3.561 502 HD23 LEU 64 HD23 LEU 64 2.892 9.157 -2.846 503 HA PRO 65 HA PRO 65 10.708 8.729 -3.142 504 HB2 PRO 65 HB2 PRO 65 11.083 10.791 -5.034 505 HB3 PRO 65 HB3 PRO 65 11.116 9.056 -5.377 506 HG2 PRO 65 HG2 PRO 65 8.845 11.018 -5.682 507 HG3 PRO 65 HG3 PRO 65 9.347 9.702 -6.769 508 HD2 PRO 65 HD2 PRO 65 7.228 9.393 -5.167 509 HD3 PRO 65 HD3 PRO 65 8.359 8.044 -5.417 510 H ALA 66 H ALA 66 9.539 12.075 -3.861 511 HA ALA 66 HA ALA 66 10.662 12.994 -1.284 512 HB1 ALA 66 HB1 ALA 66 10.435 15.272 -2.208 513 HB2 ALA 66 HB2 ALA 66 9.689 14.616 -3.669 514 HB3 ALA 66 HB3 ALA 66 11.370 14.239 -3.291 515 H THR 67 H THR 67 9.076 12.277 0.160 516 HA THR 67 HA THR 67 6.290 12.362 -0.342 517 HB THR 67 HB THR 67 7.582 12.133 2.412 518 HG1 THR 67 HG1 THR 67 8.431 10.413 1.436 519 HG21 THR 67 HG21 THR 67 4.901 11.128 1.349 520 HG22 THR 67 HG22 THR 67 5.118 12.467 2.476 521 HG23 THR 67 HG23 THR 67 5.542 10.829 2.968 522 H GLN 68 H GLN 68 5.290 14.205 -0.708 523 HA GLN 68 HA GLN 68 6.100 16.771 0.261 524 HB2 GLN 68 HB2 GLN 68 3.532 15.943 -1.161 525 HB3 GLN 68 HB3 GLN 68 4.164 17.588 -1.047 526 HG2 GLN 68 HG2 GLN 68 6.031 17.049 -2.470 527 HG3 GLN 68 HG3 GLN 68 5.671 15.326 -2.402 528 HE21 GLN 68 HE21 GLN 68 3.924 14.514 -3.603 529 HE22 GLN 68 HE22 GLN 68 3.215 15.405 -4.902 530 HA PRO 69 HA PRO 69 3.659 17.328 4.097 531 HB2 PRO 69 HB2 PRO 69 2.956 19.976 2.805 532 HB3 PRO 69 HB3 PRO 69 3.476 19.639 4.466 533 HG2 PRO 69 HG2 PRO 69 5.223 20.622 2.731 534 HG3 PRO 69 HG3 PRO 69 5.725 19.318 3.832 535 HD2 PRO 69 HD2 PRO 69 5.037 19.174 0.899 536 HD3 PRO 69 HD3 PRO 69 6.300 18.309 1.805 537 H SER 70 H SER 70 2.186 18.218 0.986 538 HA SER 70 HA SER 70 -0.552 17.958 1.667 539 HB2 SER 70 HB2 SER 70 0.078 19.129 -0.361 540 HB3 SER 70 HB3 SER 70 0.863 17.697 -1.018 541 HG SER 70 HG SER 70 -0.992 17.202 -1.845 542 H ASP 71 H ASP 71 1.848 15.491 0.845 543 HA ASP 71 HA ASP 71 -0.092 13.355 0.533 544 HB2 ASP 71 HB2 ASP 71 2.940 13.299 0.683 545 HB3 ASP 71 HB3 ASP 71 1.959 11.847 0.494 546 H GLY 72 H GLY 72 0.788 14.977 3.219 547 HA2 GLY 72 HA2 GLY 72 0.800 12.800 5.140 548 HA3 GLY 72 HA3 GLY 72 0.652 14.517 5.487 549 H GLY 73 H GLY 73 -0.957 11.784 5.912 550 HA2 GLY 73 HA2 GLY 73 -3.292 12.569 6.886 551 HA3 GLY 73 HA3 GLY 73 -3.657 12.667 5.168 552 H GLU 74 H GLU 74 -4.655 10.880 4.378 553 HA GLU 74 HA GLU 74 -4.067 8.232 5.579 554 HB2 GLU 74 HB2 GLU 74 -6.858 9.322 4.984 555 HB3 GLU 74 HB3 GLU 74 -6.500 7.674 5.506 556 HG2 GLU 74 HG2 GLU 74 -5.527 8.600 7.618 557 HG3 GLU 74 HG3 GLU 74 -6.024 10.211 7.107 558 H PHE 75 H PHE 75 -3.965 6.533 4.222 559 HA PHE 75 HA PHE 75 -4.689 6.832 1.357 560 HB2 PHE 75 HB2 PHE 75 -2.261 5.407 2.551 561 HB3 PHE 75 HB3 PHE 75 -2.758 5.260 0.869 562 HD1 PHE 75 HD2 PHE 75 -1.346 7.576 3.402 563 HD2 PHE 75 HD1 PHE 75 -2.306 7.019 -0.727 564 HE1 PHE 75 HE2 PHE 75 0.015 9.542 2.813 565 HE2 PHE 75 HE1 PHE 75 -0.942 8.982 -1.304 566 HZ PHE 75 HZ PHE 75 0.222 10.244 0.460 567 H GLN 76 H GLN 76 -5.794 5.116 0.443 568 HA GLN 76 HA GLN 76 -6.580 2.858 2.209 569 HB2 GLN 76 HB2 GLN 76 -8.117 4.118 -0.101 570 HB3 GLN 76 HB3 GLN 76 -8.664 2.734 0.842 571 HG2 GLN 76 HG2 GLN 76 -8.694 4.180 2.869 572 HG3 GLN 76 HG3 GLN 76 -8.234 5.555 1.867 573 HE21 GLN 76 HE21 GLN 76 -10.539 3.024 0.930 574 HE22 GLN 76 HE22 GLN 76 -11.918 4.055 0.899 575 H CYS 77 H CYS 77 -6.690 0.767 1.356 576 HA CYS 77 HA CYS 77 -5.926 0.312 -1.479 577 HB2 CYS 77 HB2 CYS 77 -5.160 -1.463 0.883 578 HB3 CYS 77 HB3 CYS 77 -4.746 -1.741 -0.809 579 HG CYS 77 HG CYS 77 -3.633 1.195 -0.153 580 H VAL 78 H VAL 78 -8.064 -0.052 -2.230 581 HA VAL 78 HA VAL 78 -9.841 -1.838 -0.700 582 HB VAL 78 HB VAL 78 -10.439 -0.190 -3.197 583 HG11 VAL 78 HG11 VAL 78 -11.935 -2.138 -3.046 584 HG12 VAL 78 HG12 VAL 78 -12.830 -0.654 -2.717 585 HG13 VAL 78 HG13 VAL 78 -12.356 -1.713 -1.386 586 HG21 VAL 78 HG21 VAL 78 -9.944 1.251 -1.259 587 HG22 VAL 78 HG22 VAL 78 -11.128 0.379 -0.280 588 HG23 VAL 78 HG23 VAL 78 -11.661 1.337 -1.664 589 H ALA 79 H ALA 79 -9.973 -3.956 -1.170 590 HA ALA 79 HA ALA 79 -8.977 -4.990 -3.774 591 HB1 ALA 79 HB1 ALA 79 -8.548 -7.102 -2.593 592 HB2 ALA 79 HB2 ALA 79 -9.190 -6.415 -1.098 593 HB3 ALA 79 HB3 ALA 79 -7.715 -5.757 -1.811 594 H GLY 80 H GLY 80 -11.218 -6.222 -1.283 595 HA2 GLY 80 HA2 GLY 80 -13.536 -6.219 -3.006 596 HA3 GLY 80 HA3 GLY 80 -12.855 -7.827 -2.776 597 H ASP 81 H ASP 81 -14.729 -5.303 -1.414 598 HA ASP 81 HA ASP 81 -15.938 -4.979 0.465 599 HB2 ASP 81 HB2 ASP 81 -15.612 -7.987 0.814 600 HB3 ASP 81 HB3 ASP 81 -16.716 -6.989 1.759 601 H GLU 82 H GLU 82 -12.903 -4.957 0.557 602 HA GLU 82 HA GLU 82 -12.626 -4.433 3.387 603 HB2 GLU 82 HB2 GLU 82 -12.176 -6.919 3.184 604 HB3 GLU 82 HB3 GLU 82 -10.796 -6.549 2.161 605 HG2 GLU 82 HG2 GLU 82 -9.715 -5.359 3.994 606 HG3 GLU 82 HG3 GLU 82 -11.129 -5.585 5.021 607 H CYS 83 H CYS 83 -10.953 -3.049 3.874 608 HA CYS 83 HA CYS 83 -9.092 -2.213 1.750 609 HB2 CYS 83 HB2 CYS 83 -10.916 -0.598 1.634 610 HB3 CYS 83 HB3 CYS 83 -10.839 -0.327 3.374 611 HG CYS 83 HG CYS 83 -8.339 0.890 3.318 612 H ALA 84 H ALA 84 -7.063 -1.689 2.417 613 HA ALA 84 HA ALA 84 -6.351 -1.848 5.276 614 HB1 ALA 84 HB1 ALA 84 -4.563 -1.724 2.814 615 HB2 ALA 84 HB2 ALA 84 -5.013 -3.189 3.688 616 HB3 ALA 84 HB3 ALA 84 -4.016 -1.964 4.477 617 H TYR 85 H TYR 85 -5.603 -0.063 6.422 618 HA TYR 85 HA TYR 85 -5.883 2.580 5.072 619 HB2 TYR 85 HB2 TYR 85 -6.416 1.986 8.012 620 HB3 TYR 85 HB3 TYR 85 -6.821 3.453 7.127 621 HD1 TYR 85 HD2 TYR 85 -8.545 3.168 5.136 622 HD2 TYR 85 HD1 TYR 85 -8.056 0.317 8.283 623 HE1 TYR 85 HE2 TYR 85 -10.772 2.238 4.647 624 HE2 TYR 85 HE1 TYR 85 -10.273 -0.613 7.785 625 HH TYR 85 HH TYR 85 -11.959 0.024 4.975 626 H PHE 86 H PHE 86 -4.144 3.915 5.137 627 HA PHE 86 HA PHE 86 -1.924 3.397 7.047 628 HB2 PHE 86 HB2 PHE 86 -1.714 4.374 4.159 629 HB3 PHE 86 HB3 PHE 86 -0.361 4.148 5.263 630 HD1 PHE 86 HD2 PHE 86 0.309 1.841 5.974 631 HD2 PHE 86 HD1 PHE 86 -2.702 2.475 2.996 632 HE1 PHE 86 HE2 PHE 86 0.510 -0.507 5.261 633 HE2 PHE 86 HE1 PHE 86 -2.494 0.120 2.303 634 HZ PHE 86 HZ PHE 86 -0.890 -1.366 3.429 635 H THR 87 H THR 87 -1.997 5.022 8.545 636 HA THR 87 HA THR 87 -2.664 7.776 7.763 637 HB THR 87 HB THR 87 -2.251 8.173 10.339 638 HG1 THR 87 HG1 THR 87 -1.309 6.118 10.735 639 HG21 THR 87 HG21 THR 87 -4.559 7.542 10.859 640 HG22 THR 87 HG22 THR 87 -4.624 6.539 9.408 641 HG23 THR 87 HG23 THR 87 -4.457 8.291 9.259 642 H VAL 88 H VAL 88 -1.064 8.738 6.786 643 HA VAL 88 HA VAL 88 1.734 8.486 7.617 644 HB VAL 88 HB VAL 88 0.363 9.671 5.177 645 HG11 VAL 88 HG11 VAL 88 2.617 10.050 4.188 646 HG12 VAL 88 HG12 VAL 88 3.362 9.606 5.727 647 HG13 VAL 88 HG13 VAL 88 2.351 11.049 5.618 648 HG21 VAL 88 HG21 VAL 88 0.418 7.210 5.236 649 HG22 VAL 88 HG22 VAL 88 2.168 7.227 5.467 650 HG23 VAL 88 HG23 VAL 88 1.470 7.815 3.955 651 H THR 89 H THR 89 2.691 10.012 8.854 652 HA THR 89 HA THR 89 1.601 12.782 8.959 653 HB THR 89 HB THR 89 2.977 11.252 11.217 654 HG1 THR 89 HG1 THR 89 0.947 11.253 12.164 655 HG21 THR 89 HG21 THR 89 1.795 14.065 11.232 656 HG22 THR 89 HG22 THR 89 3.515 13.672 11.332 657 HG23 THR 89 HG23 THR 89 2.424 13.205 12.638 658 H ILE 90 H ILE 90 2.958 14.245 8.122 659 HA ILE 90 HA ILE 90 5.609 13.554 7.225 660 HB ILE 90 HB ILE 90 4.290 16.307 7.170 661 HG12 ILE 90 HG12 ILE 90 2.812 14.645 6.079 662 HG13 ILE 90 HG13 ILE 90 3.478 15.763 4.899 663 HG21 ILE 90 HG21 ILE 90 6.551 15.177 5.466 664 HG22 ILE 90 HG22 ILE 90 6.694 16.419 6.712 665 HG23 ILE 90 HG23 ILE 90 5.787 16.753 5.238 666 HD11 ILE 90 HD11 ILE 90 5.085 14.044 4.198 667 HD12 ILE 90 HD12 ILE 90 3.413 13.512 4.034 668 HD13 ILE 90 HD13 ILE 90 4.391 12.928 5.379 Start of MODEL 8 1 H HIS 1 H1 HIS 1 -14.043 -19.540 -9.875 2 HA HIS 1 HA HIS 1 -13.017 -17.714 -8.652 3 HB2 HIS 1 HB2 HIS 1 -14.848 -17.224 -10.215 4 HB3 HIS 1 HB3 HIS 1 -16.050 -17.578 -8.977 5 HD1 HIS 1 HD1 HIS 1 -13.128 -15.147 -9.384 6 HD2 HIS 1 HD2 HIS 1 -16.978 -15.273 -7.813 7 HE1 HIS 1 HE1 HIS 1 -13.566 -12.848 -8.498 8 HE2 HIS 1 HE2 HIS 1 -15.868 -12.965 -7.496 9 H MET 2 H MET 2 -12.756 -16.542 -6.748 10 HA MET 2 HA MET 2 -14.488 -17.024 -4.443 11 HB2 MET 2 HB2 MET 2 -12.619 -17.616 -2.947 12 HB3 MET 2 HB3 MET 2 -12.763 -18.784 -4.250 13 HG2 MET 2 HG2 MET 2 -10.850 -17.745 -5.400 14 HG3 MET 2 HG3 MET 2 -10.706 -16.567 -4.087 15 HE1 MET 2 HE1 MET 2 -8.166 -18.315 -4.894 16 HE2 MET 2 HE2 MET 2 -7.603 -18.830 -3.304 17 HE3 MET 2 HE3 MET 2 -8.183 -17.182 -3.543 18 HA PRO 3 HA PRO 3 -13.991 -12.681 -3.800 19 HB2 PRO 3 HB2 PRO 3 -13.956 -13.123 -0.835 20 HB3 PRO 3 HB3 PRO 3 -15.105 -12.217 -1.826 21 HG2 PRO 3 HG2 PRO 3 -15.798 -14.572 -0.787 22 HG3 PRO 3 HG3 PRO 3 -16.295 -14.140 -2.439 23 HD2 PRO 3 HD2 PRO 3 -14.000 -15.905 -1.558 24 HD3 PRO 3 HD3 PRO 3 -15.229 -16.200 -2.810 25 H VAL 4 H VAL 4 -12.405 -11.129 -3.660 26 HA VAL 4 HA VAL 4 -9.699 -11.985 -3.039 27 HB VAL 4 HB VAL 4 -9.897 -10.724 -5.060 28 HG11 VAL 4 HG11 VAL 4 -11.972 -9.505 -4.653 29 HG12 VAL 4 HG12 VAL 4 -10.714 -8.382 -5.174 30 HG13 VAL 4 HG13 VAL 4 -11.171 -8.472 -3.470 31 HG21 VAL 4 HG21 VAL 4 -8.277 -8.879 -4.700 32 HG22 VAL 4 HG22 VAL 4 -7.827 -10.308 -3.769 33 HG23 VAL 4 HG23 VAL 4 -8.590 -8.937 -2.964 34 H HIS 5 H HIS 5 -8.956 -11.928 -1.069 35 HA HIS 5 HA HIS 5 -9.710 -9.812 0.860 36 HB2 HIS 5 HB2 HIS 5 -8.666 -12.647 1.312 37 HB3 HIS 5 HB3 HIS 5 -8.960 -11.475 2.595 38 HD1 HIS 5 HD1 HIS 5 -10.660 -14.018 0.561 39 HD2 HIS 5 HD2 HIS 5 -11.770 -10.750 2.881 40 HE1 HIS 5 HE1 HIS 5 -13.116 -14.293 0.978 41 HE2 HIS 5 HE2 HIS 5 -13.763 -12.330 2.405 42 H ILE 6 H ILE 6 -7.983 -9.194 2.429 43 HA ILE 6 HA ILE 6 -5.303 -8.959 1.152 44 HB ILE 6 HB ILE 6 -6.615 -7.169 3.259 45 HG12 ILE 6 HG12 ILE 6 -6.054 -6.670 0.297 46 HG13 ILE 6 HG13 ILE 6 -7.642 -6.867 1.031 47 HG21 ILE 6 HG21 ILE 6 -3.928 -6.827 1.864 48 HG22 ILE 6 HG22 ILE 6 -4.164 -7.257 3.559 49 HG23 ILE 6 HG23 ILE 6 -4.667 -5.671 2.978 50 HD11 ILE 6 HD11 ILE 6 -7.293 -4.767 2.279 51 HD12 ILE 6 HD12 ILE 6 -7.211 -4.552 0.531 52 HD13 ILE 6 HD13 ILE 6 -5.727 -4.575 1.482 53 H VAL 7 H VAL 7 -3.775 -10.266 2.048 54 HA VAL 7 HA VAL 7 -4.132 -11.477 4.669 55 HB VAL 7 HB VAL 7 -1.902 -12.599 4.224 56 HG11 VAL 7 HG11 VAL 7 -4.021 -12.972 2.074 57 HG12 VAL 7 HG12 VAL 7 -4.022 -13.720 3.672 58 HG13 VAL 7 HG13 VAL 7 -2.769 -14.142 2.504 59 HG21 VAL 7 HG21 VAL 7 -2.115 -11.275 1.485 60 HG22 VAL 7 HG22 VAL 7 -0.921 -12.491 1.956 61 HG23 VAL 7 HG23 VAL 7 -0.904 -10.899 2.717 62 H ASP 8 H ASP 8 -2.323 -8.756 3.395 63 HA ASP 8 HA ASP 8 -1.663 -7.874 6.076 64 HB2 ASP 8 HB2 ASP 8 0.234 -9.453 5.428 65 HB3 ASP 8 HB3 ASP 8 0.639 -8.345 4.120 66 HA PRO 9 HA PRO 9 -1.217 -6.082 7.107 67 HB2 PRO 9 HB2 PRO 9 -2.033 -3.640 7.873 68 HB3 PRO 9 HB3 PRO 9 -0.446 -3.866 7.120 69 HG2 PRO 9 HG2 PRO 9 -3.012 -2.888 5.874 70 HG3 PRO 9 HG3 PRO 9 -1.368 -2.235 5.700 71 HD2 PRO 9 HD2 PRO 9 -2.563 -3.957 3.866 72 HD3 PRO 9 HD3 PRO 9 -0.806 -3.775 4.058 73 H ARG 10 H ARG 10 -2.745 -6.102 8.848 74 HA ARG 10 HA ARG 10 -5.571 -6.555 8.077 75 HB2 ARG 10 HB2 ARG 10 -4.000 -7.376 10.564 76 HB3 ARG 10 HB3 ARG 10 -5.685 -7.786 10.257 77 HG2 ARG 10 HG2 ARG 10 -3.311 -8.715 8.599 78 HG3 ARG 10 HG3 ARG 10 -4.166 -9.674 9.813 79 HD2 ARG 10 HD2 ARG 10 -6.264 -9.412 8.441 80 HD3 ARG 10 HD3 ARG 10 -5.288 -8.628 7.190 81 HE ARG 10 HE ARG 10 -3.950 -10.812 7.259 82 HH11 ARG 10 HH11 ARG 10 -7.372 -10.709 7.803 83 HH12 ARG 10 HH12 ARG 10 -7.607 -12.312 7.217 84 HH21 ARG 10 HH21 ARG 10 -4.290 -12.851 6.507 85 HH22 ARG 10 HH22 ARG 10 -5.888 -13.501 6.483 86 H GLU 11 H GLU 11 -4.148 -3.865 8.759 87 HA GLU 11 HA GLU 11 -5.901 -2.874 10.891 88 HB2 GLU 11 HB2 GLU 11 -4.002 -2.126 12.297 89 HB3 GLU 11 HB3 GLU 11 -3.979 -3.879 12.098 90 HG2 GLU 11 HG2 GLU 11 -2.212 -3.703 10.414 91 HG3 GLU 11 HG3 GLU 11 -2.266 -1.945 10.495 92 H HIS 12 H HIS 12 -5.157 -0.580 11.494 93 HA HIS 12 HA HIS 12 -4.727 1.099 9.128 94 HB2 HIS 12 HB2 HIS 12 -5.341 2.963 10.860 95 HB3 HIS 12 HB3 HIS 12 -6.612 1.873 10.327 96 HD1 HIS 12 HD1 HIS 12 -7.515 0.143 12.056 97 HD2 HIS 12 HD2 HIS 12 -4.734 2.812 13.606 98 HE1 HIS 12 HE1 HIS 12 -7.654 -0.114 14.548 99 HE2 HIS 12 HE2 HIS 12 -5.855 1.391 15.453 100 H VAL 13 H VAL 13 -2.600 1.230 8.676 101 HA VAL 13 HA VAL 13 -0.539 1.139 10.739 102 HB VAL 13 HB VAL 13 -0.237 1.242 7.703 103 HG11 VAL 13 HG11 VAL 13 2.051 0.375 8.078 104 HG12 VAL 13 HG12 VAL 13 1.810 0.474 9.824 105 HG13 VAL 13 HG13 VAL 13 1.828 1.946 8.853 106 HG21 VAL 13 HG21 VAL 13 -1.506 -0.753 8.394 107 HG22 VAL 13 HG22 VAL 13 -0.234 -1.188 9.538 108 HG23 VAL 13 HG23 VAL 13 0.094 -1.205 7.803 109 H PHE 14 H PHE 14 -0.014 3.019 11.712 110 HA PHE 14 HA PHE 14 -0.070 5.607 10.393 111 HB2 PHE 14 HB2 PHE 14 0.799 4.744 13.184 112 HB3 PHE 14 HB3 PHE 14 0.864 6.412 12.625 113 HD1 PHE 14 HD1 PHE 14 -1.382 3.658 13.638 114 HD2 PHE 14 HD2 PHE 14 -1.181 7.720 12.304 115 HE1 PHE 14 HE1 PHE 14 -3.730 3.999 14.291 116 HE2 PHE 14 HE2 PHE 14 -3.526 8.048 12.964 117 HZ PHE 14 HZ PHE 14 -4.804 6.190 13.955 118 H VAL 15 H VAL 15 1.525 6.294 9.129 119 HA VAL 15 HA VAL 15 4.304 5.314 9.435 120 HB VAL 15 HB VAL 15 2.994 6.529 6.958 121 HG11 VAL 15 HG11 VAL 15 4.968 5.641 5.745 122 HG12 VAL 15 HG12 VAL 15 5.661 5.103 7.274 123 HG13 VAL 15 HG13 VAL 15 5.430 6.826 6.968 124 HG21 VAL 15 HG21 VAL 15 3.494 3.590 7.589 125 HG22 VAL 15 HG22 VAL 15 2.916 4.220 6.044 126 HG23 VAL 15 HG23 VAL 15 1.917 4.379 7.488 127 H HIS 16 H HIS 16 6.011 6.821 9.513 128 HA HIS 16 HA HIS 16 5.320 9.697 9.783 129 HB2 HIS 16 HB2 HIS 16 7.650 8.183 11.037 130 HB3 HIS 16 HB3 HIS 16 7.261 9.884 11.294 131 HD1 HIS 16 HD1 HIS 16 6.581 6.535 12.602 132 HD2 HIS 16 HD2 HIS 16 4.711 10.247 12.722 133 HE1 HIS 16 HE1 HIS 16 4.894 6.376 14.452 134 HE2 HIS 16 HE2 HIS 16 3.730 8.609 14.465 135 H ALA 17 H ALA 17 6.231 11.094 8.330 136 HA ALA 17 HA ALA 17 8.712 10.381 6.890 137 HB1 ALA 17 HB1 ALA 17 6.157 11.251 5.490 138 HB2 ALA 17 HB2 ALA 17 6.819 9.616 5.491 139 HB3 ALA 17 HB3 ALA 17 7.714 10.925 4.717 140 H ILE 18 H ILE 18 10.029 12.072 7.418 141 HA ILE 18 HA ILE 18 9.011 14.795 7.712 142 HB ILE 18 HB ILE 18 11.886 13.831 7.994 143 HG12 ILE 18 HG12 ILE 18 11.374 14.130 10.559 144 HG13 ILE 18 HG13 ILE 18 9.684 14.021 10.096 145 HG21 ILE 18 HG21 ILE 18 12.265 15.935 9.269 146 HG22 ILE 18 HG22 ILE 18 10.604 16.427 8.932 147 HG23 ILE 18 HG23 ILE 18 11.756 16.246 7.609 148 HD11 ILE 18 HD11 ILE 18 10.519 11.913 10.934 149 HD12 ILE 18 HD12 ILE 18 11.785 11.887 9.706 150 HD13 ILE 18 HD13 ILE 18 10.088 11.759 9.231 151 H THR 19 H THR 19 8.349 14.732 5.424 152 HA THR 19 HA THR 19 8.351 15.509 3.307 153 HB THR 19 HB THR 19 10.799 17.121 4.141 154 HG1 THR 19 HG1 THR 19 9.404 18.027 5.447 155 HG21 THR 19 HG21 THR 19 10.041 18.749 2.434 156 HG22 THR 19 HG22 THR 19 8.732 17.660 1.966 157 HG23 THR 19 HG23 THR 19 10.414 17.193 1.691 158 H SER 20 H SER 20 11.911 15.423 3.711 159 HA SER 20 HA SER 20 12.514 14.449 1.127 160 HB2 SER 20 HB2 SER 20 14.217 14.384 3.656 161 HB3 SER 20 HB3 SER 20 14.827 14.188 2.014 162 HG SER 20 HG SER 20 15.116 16.315 2.661 163 H GLU 21 H GLU 21 11.388 12.724 3.867 164 HA GLU 21 HA GLU 21 12.861 10.314 3.677 165 HB2 GLU 21 HB2 GLU 21 10.196 10.899 5.019 166 HB3 GLU 21 HB3 GLU 21 11.090 9.392 5.215 167 HG2 GLU 21 HG2 GLU 21 12.031 12.159 6.039 168 HG3 GLU 21 HG3 GLU 21 11.432 10.895 7.112 169 H CYS 22 H CYS 22 12.663 8.605 2.419 170 HA CYS 22 HA CYS 22 10.546 8.291 0.472 171 HB2 CYS 22 HB2 CYS 22 11.854 6.248 -0.202 172 HB3 CYS 22 HB3 CYS 22 12.798 7.732 -0.214 173 HG CYS 22 HG CYS 22 14.442 7.149 1.775 174 H VAL 23 H VAL 23 8.734 7.124 0.733 175 HA VAL 23 HA VAL 23 8.464 5.183 2.971 176 HB VAL 23 HB VAL 23 6.483 7.298 1.994 177 HG11 VAL 23 HG11 VAL 23 5.185 5.240 2.319 178 HG12 VAL 23 HG12 VAL 23 4.832 6.383 3.616 179 HG13 VAL 23 HG13 VAL 23 5.901 5.011 3.916 180 HG21 VAL 23 HG21 VAL 23 8.146 8.082 3.637 181 HG22 VAL 23 HG22 VAL 23 7.683 6.784 4.742 182 HG23 VAL 23 HG23 VAL 23 6.528 8.059 4.346 183 H MET 24 H MET 24 7.590 3.202 2.456 184 HA MET 24 HA MET 24 6.232 2.849 -0.156 185 HB2 MET 24 HB2 MET 24 8.577 1.922 -0.180 186 HB3 MET 24 HB3 MET 24 8.124 0.824 1.115 187 HG2 MET 24 HG2 MET 24 6.475 -0.251 -0.347 188 HG3 MET 24 HG3 MET 24 6.860 0.883 -1.641 189 HE1 MET 24 HE1 MET 24 10.595 -0.176 -2.471 190 HE2 MET 24 HE2 MET 24 10.132 1.037 -1.278 191 HE3 MET 24 HE3 MET 24 9.300 0.967 -2.832 192 H LEU 25 H LEU 25 4.168 2.679 0.448 193 HA LEU 25 HA LEU 25 3.213 1.377 2.845 194 HB2 LEU 25 HB2 LEU 25 1.634 2.333 0.419 195 HB3 LEU 25 HB3 LEU 25 0.995 2.019 2.030 196 HG LEU 25 HG LEU 25 2.956 4.252 1.344 197 HD11 LEU 25 HD11 LEU 25 0.783 4.637 0.285 198 HD12 LEU 25 HD12 LEU 25 1.073 5.787 1.587 199 HD13 LEU 25 HD13 LEU 25 -0.030 4.432 1.841 200 HD21 LEU 25 HD21 LEU 25 1.425 3.742 3.921 201 HD22 LEU 25 HD22 LEU 25 2.459 5.132 3.582 202 HD23 LEU 25 HD23 LEU 25 3.161 3.521 3.684 203 H ALA 26 H ALA 26 3.400 -0.861 2.864 204 HA ALA 26 HA ALA 26 3.110 -2.437 0.416 205 HB1 ALA 26 HB1 ALA 26 3.922 -4.318 1.773 206 HB2 ALA 26 HB2 ALA 26 3.826 -3.328 3.232 207 HB3 ALA 26 HB3 ALA 26 4.975 -2.913 1.959 208 H CYS 27 H CYS 27 1.206 -3.326 -0.178 209 HA CYS 27 HA CYS 27 -0.559 -4.566 1.852 210 HB2 CYS 27 HB2 CYS 27 -1.473 -3.143 -0.690 211 HB3 CYS 27 HB3 CYS 27 -2.526 -4.040 0.406 212 HG CYS 27 HG CYS 27 -0.959 -1.898 2.243 213 H GLU 28 H GLU 28 -0.252 -6.719 1.565 214 HA GLU 28 HA GLU 28 0.038 -7.873 -1.130 215 HB2 GLU 28 HB2 GLU 28 0.660 -8.993 1.637 216 HB3 GLU 28 HB3 GLU 28 0.810 -9.927 0.148 217 HG2 GLU 28 HG2 GLU 28 2.604 -8.610 -0.644 218 HG3 GLU 28 HG3 GLU 28 2.261 -7.297 0.475 219 H VAL 29 H VAL 29 -1.526 -9.027 -2.021 220 HA VAL 29 HA VAL 29 -4.064 -9.435 -0.587 221 HB VAL 29 HB VAL 29 -5.022 -9.836 -2.887 222 HG11 VAL 29 HG11 VAL 29 -3.540 -7.191 -2.574 223 HG12 VAL 29 HG12 VAL 29 -5.119 -7.583 -1.888 224 HG13 VAL 29 HG13 VAL 29 -4.920 -7.482 -3.637 225 HG21 VAL 29 HG21 VAL 29 -3.676 -9.273 -4.896 226 HG22 VAL 29 HG22 VAL 29 -2.999 -10.660 -4.042 227 HG23 VAL 29 HG23 VAL 29 -2.240 -9.074 -3.884 228 H ASP 30 H ASP 30 -5.077 -11.405 -0.409 229 HA ASP 30 HA ASP 30 -3.635 -13.853 -0.453 230 HB2 ASP 30 HB2 ASP 30 -5.589 -13.383 1.034 231 HB3 ASP 30 HB3 ASP 30 -6.644 -13.345 -0.367 232 H ARG 31 H ARG 31 -6.130 -12.495 -2.611 233 HA ARG 31 HA ARG 31 -5.855 -14.605 -4.623 234 HB2 ARG 31 HB2 ARG 31 -8.064 -13.370 -3.856 235 HB3 ARG 31 HB3 ARG 31 -7.527 -12.065 -4.890 236 HG2 ARG 31 HG2 ARG 31 -8.190 -14.899 -5.782 237 HG3 ARG 31 HG3 ARG 31 -9.224 -13.483 -5.966 238 HD2 ARG 31 HD2 ARG 31 -7.276 -12.495 -7.363 239 HD3 ARG 31 HD3 ARG 31 -6.646 -14.143 -7.412 240 HE ARG 31 HE ARG 31 -9.204 -13.223 -8.558 241 HH11 ARG 31 HH11 ARG 31 -6.761 -15.680 -8.450 242 HH12 ARG 31 HH12 ARG 31 -7.334 -16.426 -9.897 243 HH21 ARG 31 HH21 ARG 31 -9.903 -14.207 -10.378 244 HH22 ARG 31 HH22 ARG 31 -9.080 -15.614 -10.961 245 H GLU 32 H GLU 32 -3.822 -14.360 -5.521 246 HA GLU 32 HA GLU 32 -2.265 -12.126 -5.936 247 HB2 GLU 32 HB2 GLU 32 -1.371 -14.373 -6.178 248 HB3 GLU 32 HB3 GLU 32 -2.416 -14.694 -7.555 249 HG2 GLU 32 HG2 GLU 32 -1.163 -12.947 -8.855 250 HG3 GLU 32 HG3 GLU 32 -0.071 -12.765 -7.480 251 H ASP 33 H ASP 33 -4.449 -13.590 -8.355 252 HA ASP 33 HA ASP 33 -3.709 -11.916 -10.527 253 HB2 ASP 33 HB2 ASP 33 -6.243 -13.569 -10.226 254 HB3 ASP 33 HB3 ASP 33 -5.522 -13.019 -11.738 255 H ALA 34 H ALA 34 -5.725 -11.154 -7.882 256 HA ALA 34 HA ALA 34 -7.318 -9.164 -9.364 257 HB1 ALA 34 HB1 ALA 34 -7.465 -10.029 -6.458 258 HB2 ALA 34 HB2 ALA 34 -8.516 -10.582 -7.762 259 HB3 ALA 34 HB3 ALA 34 -8.563 -8.894 -7.254 260 HA PRO 35 HA PRO 35 -4.299 -6.038 -8.019 261 HB2 PRO 35 HB2 PRO 35 -5.304 -3.891 -9.283 262 HB3 PRO 35 HB3 PRO 35 -4.678 -5.266 -10.207 263 HG2 PRO 35 HG2 PRO 35 -7.545 -4.592 -9.522 264 HG3 PRO 35 HG3 PRO 35 -6.858 -5.074 -11.087 265 HD2 PRO 35 HD2 PRO 35 -8.110 -6.841 -9.366 266 HD3 PRO 35 HD3 PRO 35 -6.871 -7.326 -10.543 267 H VAL 36 H VAL 36 -4.382 -3.698 -7.093 268 HA VAL 36 HA VAL 36 -6.541 -3.423 -5.068 269 HB VAL 36 HB VAL 36 -4.926 -2.052 -3.718 270 HG11 VAL 36 HG11 VAL 36 -5.280 -4.416 -3.155 271 HG12 VAL 36 HG12 VAL 36 -3.613 -3.939 -2.832 272 HG13 VAL 36 HG13 VAL 36 -3.994 -4.894 -4.268 273 HG21 VAL 36 HG21 VAL 36 -2.837 -3.012 -5.718 274 HG22 VAL 36 HG22 VAL 36 -2.507 -2.127 -4.226 275 HG23 VAL 36 HG23 VAL 36 -3.399 -1.348 -5.532 276 H ARG 37 H ARG 37 -6.858 -1.164 -4.325 277 HA ARG 37 HA ARG 37 -6.796 0.876 -6.478 278 HB2 ARG 37 HB2 ARG 37 -9.165 0.146 -4.685 279 HB3 ARG 37 HB3 ARG 37 -9.132 1.518 -5.789 280 HG2 ARG 37 HG2 ARG 37 -8.852 -1.360 -6.715 281 HG3 ARG 37 HG3 ARG 37 -10.407 -0.533 -6.577 282 HD2 ARG 37 HD2 ARG 37 -8.086 0.301 -8.360 283 HD3 ARG 37 HD3 ARG 37 -9.591 -0.457 -8.891 284 HE ARG 37 HE ARG 37 -9.205 2.306 -8.032 285 HH11 ARG 37 HH11 ARG 37 -11.557 -0.108 -8.840 286 HH12 ARG 37 HH12 ARG 37 -12.762 1.058 -9.233 287 HH21 ARG 37 HH21 ARG 37 -10.748 3.762 -8.580 288 HH22 ARG 37 HH22 ARG 37 -12.313 3.224 -9.087 289 H TRP 38 H TRP 38 -5.373 2.335 -5.563 290 HA TRP 38 HA TRP 38 -5.371 2.902 -2.692 291 HB2 TRP 38 HB2 TRP 38 -3.676 4.080 -4.948 292 HB3 TRP 38 HB3 TRP 38 -3.426 4.379 -3.231 293 HD1 TRP 38 HD1 TRP 38 -2.827 1.733 -5.930 294 HE1 TRP 38 HE1 TRP 38 -1.270 -0.078 -4.989 295 HE3 TRP 38 HE3 TRP 38 -2.741 3.198 -1.028 296 HZ2 TRP 38 HZ2 TRP 38 -0.164 -0.816 -2.500 297 HZ3 TRP 38 HZ3 TRP 38 -1.406 1.888 0.573 298 HH2 TRP 38 HH2 TRP 38 -0.140 -0.079 -0.149 299 H TYR 39 H TYR 39 -6.052 4.856 -1.763 300 HA TYR 39 HA TYR 39 -7.408 6.860 -3.472 301 HB2 TYR 39 HB2 TYR 39 -8.592 5.554 -0.979 302 HB3 TYR 39 HB3 TYR 39 -9.267 6.985 -1.754 303 HD1 TYR 39 HD2 TYR 39 -10.324 6.810 -4.018 304 HD2 TYR 39 HD1 TYR 39 -8.987 3.333 -1.918 305 HE1 TYR 39 HE2 TYR 39 -11.664 5.387 -5.516 306 HE2 TYR 39 HE1 TYR 39 -10.324 1.924 -3.418 307 HH TYR 39 HH TYR 39 -12.227 2.061 -4.880 308 H LYS 40 H LYS 40 -7.677 8.955 -2.540 309 HA LYS 40 HA LYS 40 -6.644 9.728 -0.011 310 HB2 LYS 40 HB2 LYS 40 -4.466 9.266 -1.026 311 HB3 LYS 40 HB3 LYS 40 -4.861 10.251 -2.429 312 HG2 LYS 40 HG2 LYS 40 -4.845 12.273 -1.062 313 HG3 LYS 40 HG3 LYS 40 -4.548 11.318 0.399 314 HD2 LYS 40 HD2 LYS 40 -2.362 10.599 -0.502 315 HD3 LYS 40 HD3 LYS 40 -2.670 11.488 -1.999 316 HE2 LYS 40 HE2 LYS 40 -2.438 12.746 0.754 317 HE3 LYS 40 HE3 LYS 40 -1.157 12.705 -0.458 318 HZ1 LYS 40 HZ1 LYS 40 -2.371 14.801 -0.455 319 HZ2 LYS 40 HZ2 LYS 40 -3.804 13.994 -0.841 320 HZ3 LYS 40 HZ3 LYS 40 -2.510 13.998 -1.933 321 H ASP 41 H ASP 41 -7.900 11.389 0.494 322 HA ASP 41 HA ASP 41 -9.053 13.326 0.538 323 HB2 ASP 41 HB2 ASP 41 -6.630 14.075 0.201 324 HB3 ASP 41 HB3 ASP 41 -7.019 14.327 -1.493 325 H GLY 42 H GLY 42 -10.690 11.890 -0.700 326 HA2 GLY 42 HA2 GLY 42 -12.624 12.074 -1.962 327 HA3 GLY 42 HA3 GLY 42 -12.008 13.552 -2.669 328 H GLN 43 H GLN 43 -9.505 12.046 -3.565 329 HA GLN 43 HA GLN 43 -10.629 10.874 -6.050 330 HB2 GLN 43 HB2 GLN 43 -7.843 12.022 -5.564 331 HB3 GLN 43 HB3 GLN 43 -8.495 11.472 -7.107 332 HG2 GLN 43 HG2 GLN 43 -10.199 13.320 -6.959 333 HG3 GLN 43 HG3 GLN 43 -9.376 13.896 -5.509 334 HE21 GLN 43 HE21 GLN 43 -8.804 15.875 -6.415 335 HE22 GLN 43 HE22 GLN 43 -7.637 16.025 -7.678 336 H GLU 44 H GLU 44 -8.857 9.292 -7.081 337 HA GLU 44 HA GLU 44 -7.728 7.548 -4.969 338 HB2 GLU 44 HB2 GLU 44 -7.822 5.693 -6.486 339 HB3 GLU 44 HB3 GLU 44 -9.398 6.465 -6.474 340 HG2 GLU 44 HG2 GLU 44 -8.857 7.537 -8.652 341 HG3 GLU 44 HG3 GLU 44 -7.307 6.694 -8.662 342 H VAL 45 H VAL 45 -5.595 6.733 -5.254 343 HA VAL 45 HA VAL 45 -3.786 8.764 -6.199 344 HB VAL 45 HB VAL 45 -3.076 6.064 -4.976 345 HG11 VAL 45 HG11 VAL 45 -1.173 7.072 -6.158 346 HG12 VAL 45 HG12 VAL 45 -0.904 7.111 -4.418 347 HG13 VAL 45 HG13 VAL 45 -1.387 8.581 -5.264 348 HG21 VAL 45 HG21 VAL 45 -4.499 7.328 -3.419 349 HG22 VAL 45 HG22 VAL 45 -3.434 8.731 -3.553 350 HG23 VAL 45 HG23 VAL 45 -2.841 7.239 -2.817 351 H GLU 46 H GLU 46 -3.173 8.856 -8.250 352 HA GLU 46 HA GLU 46 -2.427 6.401 -9.747 353 HB2 GLU 46 HB2 GLU 46 -3.160 9.180 -10.788 354 HB3 GLU 46 HB3 GLU 46 -2.638 7.830 -11.798 355 HG2 GLU 46 HG2 GLU 46 -4.647 6.554 -11.157 356 HG3 GLU 46 HG3 GLU 46 -5.164 7.867 -10.100 357 H GLU 47 H GLU 47 -0.513 6.863 -11.303 358 HA GLU 47 HA GLU 47 1.718 7.787 -9.761 359 HB2 GLU 47 HB2 GLU 47 1.634 7.034 -12.706 360 HB3 GLU 47 HB3 GLU 47 3.088 7.214 -11.720 361 HG2 GLU 47 HG2 GLU 47 2.169 5.358 -10.232 362 HG3 GLU 47 HG3 GLU 47 0.927 5.101 -11.457 363 H SER 48 H SER 48 2.561 9.775 -9.624 364 HA SER 48 HA SER 48 2.111 11.870 -11.640 365 HB2 SER 48 HB2 SER 48 1.117 12.085 -8.757 366 HB3 SER 48 HB3 SER 48 1.158 13.425 -9.904 367 HG SER 48 HG SER 48 -0.122 11.537 -11.166 368 H ASP 49 H ASP 49 2.918 14.045 -9.843 369 HA ASP 49 HA ASP 49 5.682 14.077 -10.031 370 HB2 ASP 49 HB2 ASP 49 3.889 15.609 -8.102 371 HB3 ASP 49 HB3 ASP 49 5.570 16.016 -8.444 372 H PHE 50 H PHE 50 6.882 12.464 -9.186 373 HA PHE 50 HA PHE 50 8.094 11.199 -7.770 374 HB2 PHE 50 HB2 PHE 50 7.158 13.158 -5.620 375 HB3 PHE 50 HB3 PHE 50 8.430 11.962 -5.400 376 HD1 PHE 50 HD1 PHE 50 10.629 12.225 -6.531 377 HD2 PHE 50 HD2 PHE 50 7.570 15.191 -6.928 378 HE1 PHE 50 HE1 PHE 50 12.277 13.820 -7.430 379 HE2 PHE 50 HE2 PHE 50 9.223 16.776 -7.823 380 HZ PHE 50 HZ PHE 50 11.577 16.092 -8.079 381 H VAL 51 H VAL 51 5.015 10.871 -8.056 382 HA VAL 51 HA VAL 51 4.601 8.866 -5.905 383 HB VAL 51 HB VAL 51 2.495 10.133 -7.736 384 HG11 VAL 51 HG11 VAL 51 1.845 7.893 -6.939 385 HG12 VAL 51 HG12 VAL 51 0.841 9.131 -6.189 386 HG13 VAL 51 HG13 VAL 51 2.146 8.379 -5.268 387 HG21 VAL 51 HG21 VAL 51 3.416 11.845 -6.235 388 HG22 VAL 51 HG22 VAL 51 3.116 10.813 -4.837 389 HG23 VAL 51 HG23 VAL 51 1.758 11.447 -5.771 390 H VAL 52 H VAL 52 4.907 6.787 -6.562 391 HA VAL 52 HA VAL 52 4.036 5.943 -9.263 392 HB VAL 52 HB VAL 52 6.022 4.390 -9.438 393 HG11 VAL 52 HG11 VAL 52 6.724 7.351 -9.371 394 HG12 VAL 52 HG12 VAL 52 5.985 6.488 -10.722 395 HG13 VAL 52 HG13 VAL 52 7.632 6.097 -10.223 396 HG21 VAL 52 HG21 VAL 52 8.055 4.845 -8.077 397 HG22 VAL 52 HG22 VAL 52 6.707 4.313 -7.073 398 HG23 VAL 52 HG23 VAL 52 7.146 6.020 -7.119 399 H LEU 53 H LEU 53 3.172 3.890 -9.383 400 HA LEU 53 HA LEU 53 2.695 2.447 -6.829 401 HB2 LEU 53 HB2 LEU 53 1.034 2.421 -9.384 402 HB3 LEU 53 HB3 LEU 53 0.653 1.539 -7.913 403 HG LEU 53 HG LEU 53 0.673 4.578 -8.206 404 HD11 LEU 53 HD11 LEU 53 -1.761 4.444 -7.916 405 HD12 LEU 53 HD12 LEU 53 -1.678 2.679 -7.885 406 HD13 LEU 53 HD13 LEU 53 -1.239 3.562 -9.350 407 HD21 LEU 53 HD21 LEU 53 -0.072 2.895 -5.788 408 HD22 LEU 53 HD22 LEU 53 -0.247 4.648 -5.924 409 HD23 LEU 53 HD23 LEU 53 1.356 3.920 -5.945 410 H GLU 54 H GLU 54 4.448 1.062 -6.837 411 HA GLU 54 HA GLU 54 5.028 -0.598 -9.212 412 HB2 GLU 54 HB2 GLU 54 6.662 -0.143 -6.676 413 HB3 GLU 54 HB3 GLU 54 7.144 -1.183 -8.013 414 HG2 GLU 54 HG2 GLU 54 7.149 0.827 -9.513 415 HG3 GLU 54 HG3 GLU 54 6.787 1.834 -8.111 416 H ASN 55 H ASN 55 4.079 -2.547 -9.274 417 HA ASN 55 HA ASN 55 3.456 -4.044 -6.792 418 HB2 ASN 55 HB2 ASN 55 1.440 -3.650 -9.068 419 HB3 ASN 55 HB3 ASN 55 1.163 -4.451 -7.523 420 HD21 ASN 55 HD21 ASN 55 1.635 -1.357 -9.092 421 HD22 ASN 55 HD22 ASN 55 0.943 -0.401 -7.831 422 H GLU 56 H GLU 56 4.134 -6.153 -7.012 423 HA GLU 56 HA GLU 56 3.983 -7.467 -9.632 424 HB2 GLU 56 HB2 GLU 56 6.377 -8.488 -9.041 425 HB3 GLU 56 HB3 GLU 56 6.213 -6.981 -9.912 426 HG2 GLU 56 HG2 GLU 56 7.964 -6.703 -8.315 427 HG3 GLU 56 HG3 GLU 56 6.594 -5.733 -7.790 428 H GLY 57 H GLY 57 3.361 -9.555 -9.590 429 HA2 GLY 57 HA2 GLY 57 2.438 -11.508 -8.802 430 HA3 GLY 57 HA3 GLY 57 3.526 -11.372 -7.431 431 HA PRO 58 HA PRO 58 -0.521 -10.583 -5.318 432 HB2 PRO 58 HB2 PRO 58 0.768 -11.767 -2.945 433 HB3 PRO 58 HB3 PRO 58 -0.670 -12.307 -3.813 434 HG2 PRO 58 HG2 PRO 58 1.686 -13.691 -3.848 435 HG3 PRO 58 HG3 PRO 58 0.525 -13.722 -5.192 436 HD2 PRO 58 HD2 PRO 58 3.070 -12.118 -4.923 437 HD3 PRO 58 HD3 PRO 58 2.439 -13.005 -6.331 438 H HIS 59 H HIS 59 2.752 -9.635 -4.857 439 HA HIS 59 HA HIS 59 2.363 -8.020 -2.464 440 HB2 HIS 59 HB2 HIS 59 4.792 -8.184 -4.306 441 HB3 HIS 59 HB3 HIS 59 4.749 -7.456 -2.704 442 HD1 HIS 59 HD1 HIS 59 5.371 -8.963 -0.804 443 HD2 HIS 59 HD2 HIS 59 4.451 -11.094 -4.243 444 HE1 HIS 59 HE1 HIS 59 5.950 -11.338 -0.289 445 HE2 HIS 59 HE2 HIS 59 5.231 -12.628 -2.320 446 H ARG 60 H ARG 60 1.023 -6.313 -2.879 447 HA ARG 60 HA ARG 60 1.566 -4.458 -5.127 448 HB2 ARG 60 HB2 ARG 60 -0.733 -4.334 -3.117 449 HB3 ARG 60 HB3 ARG 60 -0.631 -3.531 -4.681 450 HG2 ARG 60 HG2 ARG 60 -0.883 -6.535 -4.271 451 HG3 ARG 60 HG3 ARG 60 -2.220 -5.444 -4.630 452 HD2 ARG 60 HD2 ARG 60 -1.104 -4.847 -6.783 453 HD3 ARG 60 HD3 ARG 60 0.150 -6.044 -6.430 454 HE ARG 60 HE ARG 60 -2.289 -7.368 -6.261 455 HH11 ARG 60 HH11 ARG 60 -0.479 -5.763 -8.743 456 HH12 ARG 60 HH12 ARG 60 -1.178 -6.713 -9.999 457 HH21 ARG 60 HH21 ARG 60 -3.160 -8.564 -7.898 458 HH22 ARG 60 HH22 ARG 60 -2.652 -8.289 -9.528 459 H ARG 61 H ARG 61 2.262 -2.281 -4.667 460 HA ARG 61 HA ARG 61 2.072 -1.197 -2.020 461 HB2 ARG 61 HB2 ARG 61 4.593 -0.797 -1.729 462 HB3 ARG 61 HB3 ARG 61 3.969 -2.410 -1.414 463 HG2 ARG 61 HG2 ARG 61 4.703 -2.866 -3.922 464 HG3 ARG 61 HG3 ARG 61 5.744 -1.463 -3.654 465 HD2 ARG 61 HD2 ARG 61 6.904 -3.608 -3.170 466 HD3 ARG 61 HD3 ARG 61 6.799 -2.575 -1.740 467 HE ARG 61 HE ARG 61 4.596 -4.184 -1.570 468 HH11 ARG 61 HH11 ARG 61 7.966 -4.903 -1.883 469 HH12 ARG 61 HH12 ARG 61 7.849 -6.335 -0.927 470 HH21 ARG 61 HH21 ARG 61 4.483 -6.014 -0.350 471 HH22 ARG 61 HH22 ARG 61 5.904 -6.950 -0.061 472 H LEU 62 H LEU 62 2.246 0.922 -1.831 473 HA LEU 62 HA LEU 62 2.543 2.618 -4.205 474 HB2 LEU 62 HB2 LEU 62 0.572 2.794 -2.660 475 HB3 LEU 62 HB3 LEU 62 1.641 3.285 -1.364 476 HG LEU 62 HG LEU 62 1.452 4.949 -3.905 477 HD11 LEU 62 HD11 LEU 62 -0.432 5.150 -1.532 478 HD12 LEU 62 HD12 LEU 62 -0.858 4.639 -3.167 479 HD13 LEU 62 HD13 LEU 62 -0.336 6.295 -2.873 480 HD21 LEU 62 HD21 LEU 62 2.033 6.825 -2.405 481 HD22 LEU 62 HD22 LEU 62 3.255 5.559 -2.342 482 HD23 LEU 62 HD23 LEU 62 2.088 5.719 -1.029 483 H VAL 63 H VAL 63 4.472 3.591 -4.590 484 HA VAL 63 HA VAL 63 6.472 3.787 -2.407 485 HB VAL 63 HB VAL 63 7.030 3.767 -5.405 486 HG11 VAL 63 HG11 VAL 63 9.362 3.274 -4.762 487 HG12 VAL 63 HG12 VAL 63 8.920 3.359 -3.054 488 HG13 VAL 63 HG13 VAL 63 8.825 4.805 -4.063 489 HG21 VAL 63 HG21 VAL 63 7.180 1.412 -3.481 490 HG22 VAL 63 HG22 VAL 63 7.699 1.401 -5.168 491 HG23 VAL 63 HG23 VAL 63 5.994 1.621 -4.776 492 H LEU 64 H LEU 64 7.310 5.729 -1.878 493 HA LEU 64 HA LEU 64 6.822 8.123 -3.521 494 HB2 LEU 64 HB2 LEU 64 5.400 7.551 -1.126 495 HB3 LEU 64 HB3 LEU 64 6.620 8.696 -0.625 496 HG LEU 64 HG LEU 64 4.665 9.961 -1.112 497 HD11 LEU 64 HD11 LEU 64 6.693 11.025 -1.913 498 HD12 LEU 64 HD12 LEU 64 5.328 11.449 -2.941 499 HD13 LEU 64 HD13 LEU 64 6.515 10.258 -3.493 500 HD21 LEU 64 HD21 LEU 64 4.467 8.554 -3.792 501 HD22 LEU 64 HD22 LEU 64 3.413 9.853 -3.223 502 HD23 LEU 64 HD23 LEU 64 3.421 8.302 -2.391 503 HA PRO 65 HA PRO 65 11.408 7.763 -2.630 504 HB2 PRO 65 HB2 PRO 65 12.023 9.724 -4.562 505 HB3 PRO 65 HB3 PRO 65 11.915 7.987 -4.860 506 HG2 PRO 65 HG2 PRO 65 9.794 10.102 -5.250 507 HG3 PRO 65 HG3 PRO 65 10.285 8.797 -6.355 508 HD2 PRO 65 HD2 PRO 65 8.098 8.486 -4.910 509 HD3 PRO 65 HD3 PRO 65 9.231 7.123 -5.032 510 H ALA 66 H ALA 66 9.489 10.756 -2.858 511 HA ALA 66 HA ALA 66 10.771 11.765 -0.403 512 HB1 ALA 66 HB1 ALA 66 11.005 14.036 -1.319 513 HB2 ALA 66 HB2 ALA 66 10.420 13.486 -2.893 514 HB3 ALA 66 HB3 ALA 66 11.958 12.892 -2.264 515 H THR 67 H THR 67 8.959 11.532 0.860 516 HA THR 67 HA THR 67 6.295 11.875 -0.183 517 HB THR 67 HB THR 67 7.046 11.471 2.744 518 HG1 THR 67 HG1 THR 67 7.937 9.736 1.740 519 HG21 THR 67 HG21 THR 67 4.512 10.764 1.192 520 HG22 THR 67 HG22 THR 67 4.664 12.077 2.360 521 HG23 THR 67 HG23 THR 67 4.809 10.404 2.896 522 H GLN 68 H GLN 68 6.047 13.970 -0.807 523 HA GLN 68 HA GLN 68 6.666 16.334 0.596 524 HB2 GLN 68 HB2 GLN 68 6.293 16.333 -1.805 525 HB3 GLN 68 HB3 GLN 68 4.659 15.719 -1.613 526 HG2 GLN 68 HG2 GLN 68 3.874 17.825 -0.767 527 HG3 GLN 68 HG3 GLN 68 5.516 18.444 -0.616 528 HE21 GLN 68 HE21 GLN 68 2.945 17.686 -2.877 529 HE22 GLN 68 HE22 GLN 68 3.593 18.583 -4.202 530 HA PRO 69 HA PRO 69 3.530 16.886 3.885 531 HB2 PRO 69 HB2 PRO 69 3.239 19.598 2.568 532 HB3 PRO 69 HB3 PRO 69 3.338 19.194 4.290 533 HG2 PRO 69 HG2 PRO 69 5.464 20.129 2.942 534 HG3 PRO 69 HG3 PRO 69 5.645 18.911 4.223 535 HD2 PRO 69 HD2 PRO 69 5.926 18.607 1.276 536 HD3 PRO 69 HD3 PRO 69 6.621 17.624 2.579 537 H SER 70 H SER 70 2.664 18.253 0.692 538 HA SER 70 HA SER 70 -0.156 17.938 0.953 539 HB2 SER 70 HB2 SER 70 1.643 18.380 -1.455 540 HB3 SER 70 HB3 SER 70 -0.121 18.340 -1.579 541 HG SER 70 HG SER 70 1.445 20.369 -0.876 542 H ASP 71 H ASP 71 2.369 15.758 -0.234 543 HA ASP 71 HA ASP 71 0.425 13.777 -1.201 544 HB2 ASP 71 HB2 ASP 71 3.470 13.834 -1.245 545 HB3 ASP 71 HB3 ASP 71 2.505 12.498 -1.878 546 H GLY 72 H GLY 72 1.389 14.540 1.802 547 HA2 GLY 72 HA2 GLY 72 1.312 11.744 2.802 548 HA3 GLY 72 HA3 GLY 72 1.760 13.164 3.736 549 H GLY 73 H GLY 73 0.186 12.069 5.243 550 HA2 GLY 73 HA2 GLY 73 -1.687 12.923 6.453 551 HA3 GLY 73 HA3 GLY 73 -2.465 13.349 4.942 552 H GLU 74 H GLU 74 -3.214 11.486 3.558 553 HA GLU 74 HA GLU 74 -4.122 9.171 5.177 554 HB2 GLU 74 HB2 GLU 74 -6.429 9.464 4.245 555 HB3 GLU 74 HB3 GLU 74 -5.933 10.788 5.291 556 HG2 GLU 74 HG2 GLU 74 -5.582 12.262 3.416 557 HG3 GLU 74 HG3 GLU 74 -5.757 10.941 2.262 558 H PHE 75 H PHE 75 -4.209 7.244 4.122 559 HA PHE 75 HA PHE 75 -4.514 7.085 1.207 560 HB2 PHE 75 HB2 PHE 75 -2.258 5.703 2.731 561 HB3 PHE 75 HB3 PHE 75 -2.744 5.253 1.102 562 HD1 PHE 75 HD1 PHE 75 -2.417 6.872 -0.787 563 HD2 PHE 75 HD2 PHE 75 -0.832 7.631 3.111 564 HE1 PHE 75 HE1 PHE 75 -0.883 8.545 -1.731 565 HE2 PHE 75 HE2 PHE 75 0.697 9.307 2.157 566 HZ PHE 75 HZ PHE 75 0.672 9.761 -0.265 567 H GLN 76 H GLN 76 -5.658 5.263 0.523 568 HA GLN 76 HA GLN 76 -6.559 3.258 2.499 569 HB2 GLN 76 HB2 GLN 76 -8.090 5.312 2.471 570 HB3 GLN 76 HB3 GLN 76 -8.505 4.908 0.815 571 HG2 GLN 76 HG2 GLN 76 -8.970 2.986 3.111 572 HG3 GLN 76 HG3 GLN 76 -10.134 4.239 2.695 573 HE21 GLN 76 HE21 GLN 76 -11.215 4.102 0.675 574 HE22 GLN 76 HE22 GLN 76 -11.356 2.599 -0.156 575 H CYS 77 H CYS 77 -6.628 1.215 1.554 576 HA CYS 77 HA CYS 77 -6.220 1.058 -1.390 577 HB2 CYS 77 HB2 CYS 77 -4.101 0.769 -0.197 578 HB3 CYS 77 HB3 CYS 77 -4.792 -0.509 0.795 579 HG CYS 77 HG CYS 77 -3.254 -0.752 -2.060 580 H VAL 78 H VAL 78 -8.274 0.325 -1.985 581 HA VAL 78 HA VAL 78 -9.543 -1.972 -0.725 582 HB VAL 78 HB VAL 78 -10.350 -0.399 -3.233 583 HG11 VAL 78 HG11 VAL 78 -11.957 -2.465 -1.654 584 HG12 VAL 78 HG12 VAL 78 -11.323 -2.665 -3.288 585 HG13 VAL 78 HG13 VAL 78 -12.583 -1.472 -2.973 586 HG21 VAL 78 HG21 VAL 78 -10.422 0.996 -1.209 587 HG22 VAL 78 HG22 VAL 78 -11.414 -0.208 -0.381 588 HG23 VAL 78 HG23 VAL 78 -12.057 0.655 -1.781 589 H ALA 79 H ALA 79 -8.719 -3.988 -1.190 590 HA ALA 79 HA ALA 79 -7.669 -4.752 -3.782 591 HB1 ALA 79 HB1 ALA 79 -7.600 -7.029 -2.853 592 HB2 ALA 79 HB2 ALA 79 -8.527 -6.495 -1.448 593 HB3 ALA 79 HB3 ALA 79 -6.903 -5.865 -1.725 594 H GLY 80 H GLY 80 -10.747 -4.974 -2.120 595 HA2 GLY 80 HA2 GLY 80 -12.511 -4.864 -4.174 596 HA3 GLY 80 HA3 GLY 80 -12.107 -6.576 -4.127 597 H ASP 81 H ASP 81 -12.234 -7.586 -1.872 598 HA ASP 81 HA ASP 81 -14.732 -6.970 -0.550 599 HB2 ASP 81 HB2 ASP 81 -12.529 -8.987 0.024 600 HB3 ASP 81 HB3 ASP 81 -13.970 -8.841 1.028 601 H GLU 82 H GLU 82 -11.324 -7.052 0.557 602 HA GLU 82 HA GLU 82 -12.027 -5.404 2.908 603 HB2 GLU 82 HB2 GLU 82 -9.537 -7.105 2.423 604 HB3 GLU 82 HB3 GLU 82 -9.922 -6.236 3.908 605 HG2 GLU 82 HG2 GLU 82 -12.002 -7.643 4.106 606 HG3 GLU 82 HG3 GLU 82 -11.435 -8.590 2.730 607 H CYS 83 H CYS 83 -10.274 -3.910 3.685 608 HA CYS 83 HA CYS 83 -8.898 -2.433 1.542 609 HB2 CYS 83 HB2 CYS 83 -9.955 -0.288 2.386 610 HB3 CYS 83 HB3 CYS 83 -11.071 -1.386 1.580 611 HG CYS 83 HG CYS 83 -12.202 -0.044 3.873 612 H ALA 84 H ALA 84 -6.968 -1.681 2.183 613 HA ALA 84 HA ALA 84 -6.096 -1.961 4.971 614 HB1 ALA 84 HB1 ALA 84 -3.826 -1.834 4.019 615 HB2 ALA 84 HB2 ALA 84 -4.506 -1.522 2.420 616 HB3 ALA 84 HB3 ALA 84 -4.789 -3.073 3.210 617 H TYR 85 H TYR 85 -5.689 -0.205 6.252 618 HA TYR 85 HA TYR 85 -6.032 2.499 5.096 619 HB2 TYR 85 HB2 TYR 85 -6.340 1.524 7.966 620 HB3 TYR 85 HB3 TYR 85 -6.581 3.188 7.438 621 HD1 TYR 85 HD2 TYR 85 -8.475 3.717 5.832 622 HD2 TYR 85 HD1 TYR 85 -8.117 -0.117 7.695 623 HE1 TYR 85 HE2 TYR 85 -10.820 3.232 5.288 624 HE2 TYR 85 HE1 TYR 85 -10.468 -0.597 7.139 625 HH TYR 85 HH TYR 85 -12.523 0.596 6.627 626 H PHE 86 H PHE 86 -4.548 4.100 5.355 627 HA PHE 86 HA PHE 86 -2.143 3.724 7.029 628 HB2 PHE 86 HB2 PHE 86 -2.079 4.636 4.109 629 HB3 PHE 86 HB3 PHE 86 -0.700 4.650 5.198 630 HD1 PHE 86 HD2 PHE 86 0.331 2.498 5.949 631 HD2 PHE 86 HD1 PHE 86 -2.780 2.582 3.014 632 HE1 PHE 86 HE2 PHE 86 0.898 0.200 5.273 633 HE2 PHE 86 HE1 PHE 86 -2.206 0.287 2.350 634 HZ PHE 86 HZ PHE 86 -0.368 -0.907 3.475 635 H THR 87 H THR 87 -1.420 5.602 7.998 636 HA THR 87 HA THR 87 -2.470 8.227 7.101 637 HB THR 87 HB THR 87 -2.400 7.296 10.015 638 HG1 THR 87 HG1 THR 87 -4.482 7.790 8.151 639 HG21 THR 87 HG21 THR 87 -3.374 9.511 10.574 640 HG22 THR 87 HG22 THR 87 -3.176 10.022 8.896 641 HG23 THR 87 HG23 THR 87 -1.756 9.681 9.888 642 H VAL 88 H VAL 88 -0.683 9.235 6.389 643 HA VAL 88 HA VAL 88 1.939 8.711 7.628 644 HB VAL 88 HB VAL 88 1.327 10.140 5.000 645 HG11 VAL 88 HG11 VAL 88 3.727 9.776 4.477 646 HG12 VAL 88 HG12 VAL 88 3.971 9.078 6.080 647 HG13 VAL 88 HG13 VAL 88 3.521 10.777 5.917 648 HG21 VAL 88 HG21 VAL 88 0.583 7.791 4.887 649 HG22 VAL 88 HG22 VAL 88 2.171 7.244 5.429 650 HG23 VAL 88 HG23 VAL 88 2.000 8.044 3.864 651 H THR 89 H THR 89 2.162 10.090 9.408 652 HA THR 89 HA THR 89 1.443 12.895 9.345 653 HB THR 89 HB THR 89 3.172 11.391 11.366 654 HG1 THR 89 HG1 THR 89 1.175 11.593 12.627 655 HG21 THR 89 HG21 THR 89 1.884 14.145 11.604 656 HG22 THR 89 HG22 THR 89 3.618 13.830 11.476 657 HG23 THR 89 HG23 THR 89 2.722 13.290 12.898 658 H ILE 90 H ILE 90 2.606 14.354 8.213 659 HA ILE 90 HA ILE 90 5.393 13.902 7.490 660 HB ILE 90 HB ILE 90 3.618 16.272 6.782 661 HG12 ILE 90 HG12 ILE 90 2.714 14.133 5.878 662 HG13 ILE 90 HG13 ILE 90 3.250 15.210 4.598 663 HG21 ILE 90 HG21 ILE 90 6.295 15.424 5.597 664 HG22 ILE 90 HG22 ILE 90 5.998 16.848 6.597 665 HG23 ILE 90 HG23 ILE 90 5.279 16.735 4.993 666 HD11 ILE 90 HD11 ILE 90 4.769 12.814 5.633 667 HD12 ILE 90 HD12 ILE 90 5.284 13.882 4.322 668 HD13 ILE 90 HD13 ILE 90 3.832 12.899 4.143 Start of MODEL 9 1 H HIS 1 H1 HIS 1 -16.637 -17.261 -9.035 2 HA HIS 1 HA HIS 1 -13.838 -17.940 -8.317 3 HB2 HIS 1 HB2 HIS 1 -15.031 -15.279 -9.221 4 HB3 HIS 1 HB3 HIS 1 -13.358 -15.534 -8.734 5 HD1 HIS 1 HD1 HIS 1 -15.435 -15.394 -11.668 6 HD2 HIS 1 HD2 HIS 1 -11.997 -17.473 -10.588 7 HE1 HIS 1 HE1 HIS 1 -14.406 -16.154 -13.824 8 HE2 HIS 1 HE2 HIS 1 -12.342 -17.418 -13.156 9 H MET 2 H MET 2 -13.563 -17.981 -6.155 10 HA MET 2 HA MET 2 -15.496 -16.933 -4.283 11 HB2 MET 2 HB2 MET 2 -12.778 -18.232 -3.802 12 HB3 MET 2 HB3 MET 2 -13.992 -17.932 -2.562 13 HG2 MET 2 HG2 MET 2 -15.536 -19.485 -3.723 14 HG3 MET 2 HG3 MET 2 -14.286 -19.797 -4.930 15 HE1 MET 2 HE1 MET 2 -14.463 -22.415 -4.527 16 HE2 MET 2 HE2 MET 2 -15.733 -22.159 -3.328 17 HE3 MET 2 HE3 MET 2 -14.344 -23.174 -2.941 18 HA PRO 3 HA PRO 3 -14.078 -12.777 -3.456 19 HB2 PRO 3 HB2 PRO 3 -14.161 -13.566 -0.532 20 HB3 PRO 3 HB3 PRO 3 -14.835 -12.132 -1.329 21 HG2 PRO 3 HG2 PRO 3 -16.446 -14.132 -0.695 22 HG3 PRO 3 HG3 PRO 3 -16.617 -13.345 -2.280 23 HD2 PRO 3 HD2 PRO 3 -15.357 -16.001 -1.605 24 HD3 PRO 3 HD3 PRO 3 -16.362 -15.549 -2.999 25 H VAL 4 H VAL 4 -12.250 -11.601 -3.235 26 HA VAL 4 HA VAL 4 -9.767 -12.843 -2.255 27 HB VAL 4 HB VAL 4 -9.686 -11.741 -4.475 28 HG11 VAL 4 HG11 VAL 4 -11.363 -9.967 -4.144 29 HG12 VAL 4 HG12 VAL 4 -9.844 -9.283 -4.721 30 HG13 VAL 4 HG13 VAL 4 -10.287 -9.133 -3.020 31 HG21 VAL 4 HG21 VAL 4 -7.626 -10.400 -4.123 32 HG22 VAL 4 HG22 VAL 4 -7.606 -11.867 -3.146 33 HG23 VAL 4 HG23 VAL 4 -7.972 -10.312 -2.395 34 H HIS 5 H HIS 5 -8.444 -11.844 -0.695 35 HA HIS 5 HA HIS 5 -9.728 -9.881 1.128 36 HB2 HIS 5 HB2 HIS 5 -8.116 -12.334 1.988 37 HB3 HIS 5 HB3 HIS 5 -8.994 -11.221 3.039 38 HD1 HIS 5 HD1 HIS 5 -11.647 -11.366 2.953 39 HD2 HIS 5 HD2 HIS 5 -9.665 -14.374 0.880 40 HE1 HIS 5 HE1 HIS 5 -13.405 -13.068 2.401 41 HE2 HIS 5 HE2 HIS 5 -12.197 -14.834 1.073 42 H ILE 6 H ILE 6 -7.949 -9.124 2.826 43 HA ILE 6 HA ILE 6 -5.332 -8.686 1.466 44 HB ILE 6 HB ILE 6 -6.684 -6.886 3.538 45 HG12 ILE 6 HG12 ILE 6 -6.193 -6.481 0.548 46 HG13 ILE 6 HG13 ILE 6 -7.759 -6.707 1.316 47 HG21 ILE 6 HG21 ILE 6 -4.785 -5.326 3.153 48 HG22 ILE 6 HG22 ILE 6 -4.023 -6.510 2.091 49 HG23 ILE 6 HG23 ILE 6 -4.226 -6.865 3.807 50 HD11 ILE 6 HD11 ILE 6 -5.927 -4.333 1.641 51 HD12 ILE 6 HD12 ILE 6 -7.474 -4.547 2.466 52 HD13 ILE 6 HD13 ILE 6 -7.422 -4.406 0.710 53 H VAL 7 H VAL 7 -3.825 -9.964 2.304 54 HA VAL 7 HA VAL 7 -3.997 -11.163 4.933 55 HB VAL 7 HB VAL 7 -1.775 -12.231 4.318 56 HG11 VAL 7 HG11 VAL 7 -4.014 -12.553 2.272 57 HG12 VAL 7 HG12 VAL 7 -3.898 -13.381 3.825 58 HG13 VAL 7 HG13 VAL 7 -2.714 -13.714 2.563 59 HG21 VAL 7 HG21 VAL 7 -2.175 -10.813 1.643 60 HG22 VAL 7 HG22 VAL 7 -0.922 -12.006 2.008 61 HG23 VAL 7 HG23 VAL 7 -0.911 -10.440 2.820 62 H ASP 8 H ASP 8 -2.106 -8.546 3.466 63 HA ASP 8 HA ASP 8 -1.473 -7.419 6.059 64 HB2 ASP 8 HB2 ASP 8 0.396 -9.066 5.666 65 HB3 ASP 8 HB3 ASP 8 0.823 -8.192 4.198 66 HA PRO 9 HA PRO 9 -0.914 -5.487 6.911 67 HB2 PRO 9 HB2 PRO 9 -2.065 -3.072 7.392 68 HB3 PRO 9 HB3 PRO 9 -0.392 -3.227 6.839 69 HG2 PRO 9 HG2 PRO 9 -2.865 -2.611 5.236 70 HG3 PRO 9 HG3 PRO 9 -1.274 -1.826 5.181 71 HD2 PRO 9 HD2 PRO 9 -2.047 -3.727 3.368 72 HD3 PRO 9 HD3 PRO 9 -0.351 -3.503 3.851 73 H ARG 10 H ARG 10 -2.285 -6.438 8.197 74 HA ARG 10 HA ARG 10 -4.941 -7.187 7.401 75 HB2 ARG 10 HB2 ARG 10 -3.113 -8.598 8.561 76 HB3 ARG 10 HB3 ARG 10 -3.516 -7.737 10.039 77 HG2 ARG 10 HG2 ARG 10 -4.618 -9.870 10.049 78 HG3 ARG 10 HG3 ARG 10 -5.842 -8.613 9.866 79 HD2 ARG 10 HD2 ARG 10 -5.951 -9.052 7.447 80 HD3 ARG 10 HD3 ARG 10 -4.693 -10.287 7.603 81 HE ARG 10 HE ARG 10 -6.764 -10.963 9.345 82 HH11 ARG 10 HH11 ARG 10 -6.347 -10.696 5.905 83 HH12 ARG 10 HH12 ARG 10 -7.506 -11.936 5.588 84 HH21 ARG 10 HH21 ARG 10 -8.210 -12.524 8.894 85 HH22 ARG 10 HH22 ARG 10 -8.550 -12.953 7.255 86 H GLU 11 H GLU 11 -3.795 -4.465 8.918 87 HA GLU 11 HA GLU 11 -6.267 -3.763 10.330 88 HB2 GLU 11 HB2 GLU 11 -4.961 -3.208 12.412 89 HB3 GLU 11 HB3 GLU 11 -4.982 -4.930 12.047 90 HG2 GLU 11 HG2 GLU 11 -2.692 -4.602 10.949 91 HG3 GLU 11 HG3 GLU 11 -2.684 -2.986 11.654 92 H HIS 12 H HIS 12 -5.719 -1.462 11.484 93 HA HIS 12 HA HIS 12 -4.958 0.415 9.447 94 HB2 HIS 12 HB2 HIS 12 -6.714 0.924 11.134 95 HB3 HIS 12 HB3 HIS 12 -5.510 0.877 12.415 96 HD1 HIS 12 HD1 HIS 12 -3.905 2.917 12.615 97 HD2 HIS 12 HD2 HIS 12 -6.718 3.279 9.580 98 HE1 HIS 12 HE1 HIS 12 -3.796 5.308 11.883 99 HE2 HIS 12 HE2 HIS 12 -5.556 5.521 10.094 100 H VAL 13 H VAL 13 -2.985 1.252 9.061 101 HA VAL 13 HA VAL 13 -0.754 0.898 10.988 102 HB VAL 13 HB VAL 13 -0.684 1.307 7.953 103 HG11 VAL 13 HG11 VAL 13 1.663 0.914 9.856 104 HG12 VAL 13 HG12 VAL 13 1.281 2.390 8.967 105 HG13 VAL 13 HG13 VAL 13 1.766 0.938 8.091 106 HG21 VAL 13 HG21 VAL 13 -1.413 -0.958 8.602 107 HG22 VAL 13 HG22 VAL 13 0.021 -1.147 9.611 108 HG23 VAL 13 HG23 VAL 13 0.188 -1.007 7.860 109 H PHE 14 H PHE 14 0.398 2.682 11.681 110 HA PHE 14 HA PHE 14 -0.239 5.370 10.589 111 HB2 PHE 14 HB2 PHE 14 -0.763 5.101 13.022 112 HB3 PHE 14 HB3 PHE 14 0.907 4.637 13.333 113 HD1 PHE 14 HD1 PHE 14 -1.289 7.443 12.280 114 HD2 PHE 14 HD2 PHE 14 2.635 6.330 13.570 115 HE1 PHE 14 HE1 PHE 14 -0.705 9.809 12.567 116 HE2 PHE 14 HE2 PHE 14 3.207 8.707 13.859 117 HZ PHE 14 HZ PHE 14 1.537 10.447 13.355 118 H VAL 15 H VAL 15 1.398 6.432 9.554 119 HA VAL 15 HA VAL 15 4.205 5.484 9.825 120 HB VAL 15 HB VAL 15 2.863 6.541 7.286 121 HG11 VAL 15 HG11 VAL 15 4.970 5.963 6.125 122 HG12 VAL 15 HG12 VAL 15 5.700 5.498 7.662 123 HG13 VAL 15 HG13 VAL 15 5.246 7.178 7.373 124 HG21 VAL 15 HG21 VAL 15 3.136 4.251 6.383 125 HG22 VAL 15 HG22 VAL 15 2.099 4.258 7.808 126 HG23 VAL 15 HG23 VAL 15 3.770 3.709 7.940 127 H HIS 16 H HIS 16 5.249 7.067 11.002 128 HA HIS 16 HA HIS 16 4.654 9.899 10.582 129 HB2 HIS 16 HB2 HIS 16 5.186 9.138 12.875 130 HB3 HIS 16 HB3 HIS 16 6.781 8.613 12.347 131 HD1 HIS 16 HD1 HIS 16 8.599 10.386 12.122 132 HD2 HIS 16 HD2 HIS 16 4.867 12.005 12.994 133 HE1 HIS 16 HE1 HIS 16 9.016 12.807 12.590 134 HE2 HIS 16 HE2 HIS 16 6.771 13.742 13.236 135 H ALA 17 H ALA 17 5.428 10.799 8.764 136 HA ALA 17 HA ALA 17 7.971 9.884 7.566 137 HB1 ALA 17 HB1 ALA 17 5.755 11.581 6.372 138 HB2 ALA 17 HB2 ALA 17 5.965 9.843 6.144 139 HB3 ALA 17 HB3 ALA 17 7.174 10.965 5.516 140 H ILE 18 H ILE 18 9.341 11.520 6.529 141 HA ILE 18 HA ILE 18 9.573 14.101 7.983 142 HB ILE 18 HB ILE 18 11.603 12.399 6.455 143 HG12 ILE 18 HG12 ILE 18 11.556 13.215 9.400 144 HG13 ILE 18 HG13 ILE 18 11.051 11.647 8.782 145 HG21 ILE 18 HG21 ILE 18 12.130 14.734 5.955 146 HG22 ILE 18 HG22 ILE 18 13.357 14.045 7.018 147 HG23 ILE 18 HG23 ILE 18 12.128 15.126 7.676 148 HD11 ILE 18 HD11 ILE 18 13.340 11.200 8.039 149 HD12 ILE 18 HD12 ILE 18 13.267 11.555 9.765 150 HD13 ILE 18 HD13 ILE 18 13.847 12.783 8.642 151 H THR 19 H THR 19 9.831 16.056 6.725 152 HA THR 19 HA THR 19 8.419 16.302 4.309 153 HB THR 19 HB THR 19 9.528 18.579 4.101 154 HG1 THR 19 HG1 THR 19 10.876 19.233 5.824 155 HG21 THR 19 HG21 THR 19 7.433 18.323 5.392 156 HG22 THR 19 HG22 THR 19 8.476 19.556 6.100 157 HG23 THR 19 HG23 THR 19 8.369 17.961 6.845 158 H SER 20 H SER 20 8.918 15.530 2.388 159 HA SER 20 HA SER 20 9.917 14.965 0.460 160 HB2 SER 20 HB2 SER 20 10.972 17.262 0.620 161 HB3 SER 20 HB3 SER 20 12.399 16.501 1.321 162 HG SER 20 HG SER 20 12.683 15.347 -0.595 163 H GLU 21 H GLU 21 10.150 13.260 2.823 164 HA GLU 21 HA GLU 21 12.640 11.781 2.658 165 HB2 GLU 21 HB2 GLU 21 11.160 11.945 4.723 166 HB3 GLU 21 HB3 GLU 21 9.988 10.924 3.906 167 HG2 GLU 21 HG2 GLU 21 11.961 9.207 3.731 168 HG3 GLU 21 HG3 GLU 21 12.726 10.192 4.973 169 H CYS 22 H CYS 22 12.767 9.487 1.968 170 HA CYS 22 HA CYS 22 10.872 8.658 -0.125 171 HB2 CYS 22 HB2 CYS 22 12.493 6.779 -0.491 172 HB3 CYS 22 HB3 CYS 22 13.252 8.361 -0.636 173 HG CYS 22 HG CYS 22 13.441 6.767 2.356 174 H VAL 23 H VAL 23 9.043 7.738 0.639 175 HA VAL 23 HA VAL 23 9.118 5.860 2.951 176 HB VAL 23 HB VAL 23 6.747 7.518 1.948 177 HG11 VAL 23 HG11 VAL 23 6.004 5.429 3.012 178 HG12 VAL 23 HG12 VAL 23 5.597 6.811 4.029 179 HG13 VAL 23 HG13 VAL 23 6.975 5.788 4.442 180 HG21 VAL 23 HG21 VAL 23 7.012 8.887 3.993 181 HG22 VAL 23 HG22 VAL 23 8.447 8.983 2.970 182 HG23 VAL 23 HG23 VAL 23 8.466 7.977 4.420 183 H MET 24 H MET 24 8.289 3.777 2.655 184 HA MET 24 HA MET 24 6.883 3.147 0.108 185 HB2 MET 24 HB2 MET 24 9.180 2.170 0.150 186 HB3 MET 24 HB3 MET 24 8.786 1.306 1.629 187 HG2 MET 24 HG2 MET 24 7.001 0.073 0.373 188 HG3 MET 24 HG3 MET 24 7.535 0.881 -1.102 189 HE1 MET 24 HE1 MET 24 11.208 -0.573 -1.454 190 HE2 MET 24 HE2 MET 24 10.782 0.880 -0.552 191 HE3 MET 24 HE3 MET 24 10.026 0.559 -2.114 192 H LEU 25 H LEU 25 4.775 2.876 0.618 193 HA LEU 25 HA LEU 25 3.891 1.658 3.127 194 HB2 LEU 25 HB2 LEU 25 2.258 2.582 0.730 195 HB3 LEU 25 HB3 LEU 25 1.620 2.150 2.311 196 HG LEU 25 HG LEU 25 3.394 4.548 1.698 197 HD11 LEU 25 HD11 LEU 25 0.452 4.430 2.419 198 HD12 LEU 25 HD12 LEU 25 1.133 4.846 0.844 199 HD13 LEU 25 HD13 LEU 25 1.413 5.900 2.226 200 HD21 LEU 25 HD21 LEU 25 2.159 3.711 4.344 201 HD22 LEU 25 HD22 LEU 25 2.982 5.241 4.032 202 HD23 LEU 25 HD23 LEU 25 3.879 3.730 3.944 203 H ALA 26 H ALA 26 4.152 -0.549 3.202 204 HA ALA 26 HA ALA 26 4.096 -2.166 0.771 205 HB1 ALA 26 HB1 ALA 26 4.999 -3.951 2.184 206 HB2 ALA 26 HB2 ALA 26 4.737 -2.969 3.627 207 HB3 ALA 26 HB3 ALA 26 5.911 -2.458 2.413 208 H CYS 27 H CYS 27 2.163 -2.855 0.056 209 HA CYS 27 HA CYS 27 0.357 -4.288 1.916 210 HB2 CYS 27 HB2 CYS 27 -0.758 -2.209 1.192 211 HB3 CYS 27 HB3 CYS 27 -0.526 -2.657 -0.497 212 HG CYS 27 HG CYS 27 -2.171 -4.879 1.443 213 H GLU 28 H GLU 28 -0.388 -6.239 1.231 214 HA GLU 28 HA GLU 28 0.168 -7.268 -1.448 215 HB2 GLU 28 HB2 GLU 28 1.200 -8.484 1.149 216 HB3 GLU 28 HB3 GLU 28 1.013 -9.448 -0.312 217 HG2 GLU 28 HG2 GLU 28 2.631 -8.099 -1.499 218 HG3 GLU 28 HG3 GLU 28 2.710 -6.937 -0.180 219 H VAL 29 H VAL 29 -1.326 -8.710 -2.179 220 HA VAL 29 HA VAL 29 -3.835 -8.880 -0.650 221 HB VAL 29 HB VAL 29 -4.918 -9.280 -2.866 222 HG11 VAL 29 HG11 VAL 29 -4.616 -6.999 -3.767 223 HG12 VAL 29 HG12 VAL 29 -3.164 -6.792 -2.786 224 HG13 VAL 29 HG13 VAL 29 -4.737 -6.981 -2.007 225 HG21 VAL 29 HG21 VAL 29 -3.067 -10.380 -4.059 226 HG22 VAL 29 HG22 VAL 29 -2.121 -8.890 -4.019 227 HG23 VAL 29 HG23 VAL 29 -3.613 -8.965 -4.964 228 H ASP 30 H ASP 30 -5.213 -10.753 -0.966 229 HA ASP 30 HA ASP 30 -3.911 -13.203 -0.274 230 HB2 ASP 30 HB2 ASP 30 -5.917 -12.716 0.862 231 HB3 ASP 30 HB3 ASP 30 -6.754 -12.245 -0.601 232 H ARG 31 H ARG 31 -5.261 -11.975 -3.319 233 HA ARG 31 HA ARG 31 -4.524 -14.508 -4.695 234 HB2 ARG 31 HB2 ARG 31 -6.980 -12.811 -5.356 235 HB3 ARG 31 HB3 ARG 31 -6.464 -14.261 -6.215 236 HG2 ARG 31 HG2 ARG 31 -6.907 -15.626 -4.228 237 HG3 ARG 31 HG3 ARG 31 -7.356 -14.185 -3.315 238 HD2 ARG 31 HD2 ARG 31 -9.227 -13.818 -4.963 239 HD3 ARG 31 HD3 ARG 31 -8.829 -15.377 -5.692 240 HE ARG 31 HE ARG 31 -10.038 -14.900 -3.065 241 HH11 ARG 31 HH11 ARG 31 -8.901 -17.274 -5.339 242 HH12 ARG 31 HH12 ARG 31 -9.636 -18.577 -4.476 243 HH21 ARG 31 HH21 ARG 31 -10.964 -16.581 -2.012 244 HH22 ARG 31 HH22 ARG 31 -10.793 -18.191 -2.619 245 H GLU 32 H GLU 32 -3.265 -14.253 -6.488 246 HA GLU 32 HA GLU 32 -2.150 -11.798 -7.361 247 HB2 GLU 32 HB2 GLU 32 -2.345 -14.404 -8.949 248 HB3 GLU 32 HB3 GLU 32 -1.281 -13.056 -9.332 249 HG2 GLU 32 HG2 GLU 32 0.080 -14.707 -8.339 250 HG3 GLU 32 HG3 GLU 32 -0.129 -13.460 -7.116 251 H ASP 33 H ASP 33 -4.959 -13.601 -8.356 252 HA ASP 33 HA ASP 33 -5.681 -12.513 -10.803 253 HB2 ASP 33 HB2 ASP 33 -6.736 -14.491 -9.804 254 HB3 ASP 33 HB3 ASP 33 -7.390 -13.518 -8.491 255 H ALA 34 H ALA 34 -6.051 -11.109 -7.583 256 HA ALA 34 HA ALA 34 -7.718 -8.892 -8.594 257 HB1 ALA 34 HB1 ALA 34 -7.028 -9.675 -5.750 258 HB2 ALA 34 HB2 ALA 34 -8.526 -10.057 -6.598 259 HB3 ALA 34 HB3 ALA 34 -8.133 -8.378 -6.231 260 HA PRO 35 HA PRO 35 -4.141 -6.075 -8.026 261 HB2 PRO 35 HB2 PRO 35 -5.199 -3.894 -9.109 262 HB3 PRO 35 HB3 PRO 35 -5.013 -5.340 -10.114 263 HG2 PRO 35 HG2 PRO 35 -7.488 -4.290 -8.742 264 HG3 PRO 35 HG3 PRO 35 -7.306 -4.901 -10.400 265 HD2 PRO 35 HD2 PRO 35 -8.202 -6.420 -8.213 266 HD3 PRO 35 HD3 PRO 35 -7.563 -7.091 -9.730 267 H VAL 36 H VAL 36 -4.619 -3.307 -7.429 268 HA VAL 36 HA VAL 36 -6.282 -3.158 -4.994 269 HB VAL 36 HB VAL 36 -4.468 -1.648 -3.936 270 HG11 VAL 36 HG11 VAL 36 -4.948 -3.879 -3.034 271 HG12 VAL 36 HG12 VAL 36 -3.222 -3.527 -2.940 272 HG13 VAL 36 HG13 VAL 36 -3.833 -4.609 -4.193 273 HG21 VAL 36 HG21 VAL 36 -2.682 -3.040 -5.976 274 HG22 VAL 36 HG22 VAL 36 -2.135 -1.994 -4.663 275 HG23 VAL 36 HG23 VAL 36 -3.100 -1.324 -5.978 276 H ARG 37 H ARG 37 -6.790 -0.974 -4.363 277 HA ARG 37 HA ARG 37 -6.472 1.135 -6.429 278 HB2 ARG 37 HB2 ARG 37 -8.878 0.673 -4.598 279 HB3 ARG 37 HB3 ARG 37 -8.671 2.058 -5.669 280 HG2 ARG 37 HG2 ARG 37 -8.674 0.505 -7.624 281 HG3 ARG 37 HG3 ARG 37 -8.982 -0.839 -6.519 282 HD2 ARG 37 HD2 ARG 37 -10.794 1.575 -6.865 283 HD3 ARG 37 HD3 ARG 37 -11.035 0.017 -7.654 284 HE ARG 37 HE ARG 37 -11.177 -0.894 -5.283 285 HH11 ARG 37 HH11 ARG 37 -12.142 2.374 -5.929 286 HH12 ARG 37 HH12 ARG 37 -13.429 2.303 -4.785 287 HH21 ARG 37 HH21 ARG 37 -12.834 -0.930 -3.858 288 HH22 ARG 37 HH22 ARG 37 -13.817 0.473 -3.629 289 H TRP 38 H TRP 38 -4.776 2.258 -5.538 290 HA TRP 38 HA TRP 38 -4.705 2.943 -2.694 291 HB2 TRP 38 HB2 TRP 38 -2.797 3.518 -4.997 292 HB3 TRP 38 HB3 TRP 38 -2.566 4.189 -3.389 293 HD1 TRP 38 HD1 TRP 38 -2.190 0.936 -5.350 294 HE1 TRP 38 HE1 TRP 38 -0.829 -0.718 -3.926 295 HE3 TRP 38 HE3 TRP 38 -2.160 3.495 -0.921 296 HZ2 TRP 38 HZ2 TRP 38 0.119 -0.925 -1.293 297 HZ3 TRP 38 HZ3 TRP 38 -1.000 2.497 1.010 298 HH2 TRP 38 HH2 TRP 38 0.117 0.328 0.824 299 H TYR 39 H TYR 39 -5.211 4.911 -1.861 300 HA TYR 39 HA TYR 39 -6.025 7.122 -3.683 301 HB2 TYR 39 HB2 TYR 39 -7.260 6.206 -1.042 302 HB3 TYR 39 HB3 TYR 39 -7.651 7.748 -1.800 303 HD1 TYR 39 HD1 TYR 39 -8.010 4.051 -2.125 304 HD2 TYR 39 HD2 TYR 39 -9.054 7.853 -3.783 305 HE1 TYR 39 HE1 TYR 39 -9.695 2.971 -3.562 306 HE2 TYR 39 HE2 TYR 39 -10.736 6.772 -5.202 307 HH TYR 39 HH TYR 39 -11.060 4.488 -6.207 308 H LYS 40 H LYS 40 -4.840 8.955 -3.452 309 HA LYS 40 HA LYS 40 -3.162 9.368 -1.051 310 HB2 LYS 40 HB2 LYS 40 -2.202 9.500 -3.416 311 HB3 LYS 40 HB3 LYS 40 -3.157 10.947 -3.675 312 HG2 LYS 40 HG2 LYS 40 -1.121 10.767 -1.434 313 HG3 LYS 40 HG3 LYS 40 -0.641 11.188 -3.073 314 HD2 LYS 40 HD2 LYS 40 -2.170 13.159 -2.991 315 HD3 LYS 40 HD3 LYS 40 -2.596 12.741 -1.328 316 HE2 LYS 40 HE2 LYS 40 -0.896 14.551 -1.456 317 HE3 LYS 40 HE3 LYS 40 -0.305 13.127 -0.598 318 HZ1 LYS 40 HZ1 LYS 40 0.279 13.761 -3.438 319 HZ2 LYS 40 HZ2 LYS 40 0.906 12.464 -2.551 320 HZ3 LYS 40 HZ3 LYS 40 1.328 14.045 -2.142 321 H ASP 41 H ASP 41 -4.470 10.246 0.532 322 HA ASP 41 HA ASP 41 -5.892 11.606 1.681 323 HB2 ASP 41 HB2 ASP 41 -4.292 13.356 0.654 324 HB3 ASP 41 HB3 ASP 41 -5.521 13.656 -0.562 325 H GLY 42 H GLY 42 -6.915 9.769 -0.477 326 HA2 GLY 42 HA2 GLY 42 -9.046 9.098 -1.148 327 HA3 GLY 42 HA3 GLY 42 -9.696 10.643 -0.621 328 H GLN 43 H GLN 43 -7.119 11.352 -2.568 329 HA GLN 43 HA GLN 43 -8.618 12.470 -4.687 330 HB2 GLN 43 HB2 GLN 43 -6.469 13.381 -3.954 331 HB3 GLN 43 HB3 GLN 43 -5.643 11.897 -4.399 332 HG2 GLN 43 HG2 GLN 43 -6.151 12.378 -6.800 333 HG3 GLN 43 HG3 GLN 43 -6.873 13.911 -6.314 334 HE21 GLN 43 HE21 GLN 43 -5.475 15.585 -5.544 335 HE22 GLN 43 HE22 GLN 43 -3.773 15.537 -5.826 336 H GLU 44 H GLU 44 -7.428 9.233 -4.329 337 HA GLU 44 HA GLU 44 -7.121 7.403 -5.622 338 HB2 GLU 44 HB2 GLU 44 -9.204 7.954 -6.868 339 HB3 GLU 44 HB3 GLU 44 -8.292 8.985 -7.954 340 HG2 GLU 44 HG2 GLU 44 -8.655 6.983 -9.147 341 HG3 GLU 44 HG3 GLU 44 -6.973 6.911 -8.633 342 H VAL 45 H VAL 45 -5.153 6.739 -6.196 343 HA VAL 45 HA VAL 45 -3.156 8.635 -7.067 344 HB VAL 45 HB VAL 45 -2.923 5.639 -6.535 345 HG11 VAL 45 HG11 VAL 45 -0.690 7.643 -7.074 346 HG12 VAL 45 HG12 VAL 45 -1.182 6.323 -8.135 347 HG13 VAL 45 HG13 VAL 45 -0.466 5.967 -6.564 348 HG21 VAL 45 HG21 VAL 45 -3.426 6.967 -4.509 349 HG22 VAL 45 HG22 VAL 45 -2.038 8.010 -4.833 350 HG23 VAL 45 HG23 VAL 45 -1.790 6.306 -4.444 351 H GLU 46 H GLU 46 -3.531 9.276 -9.129 352 HA GLU 46 HA GLU 46 -3.269 7.286 -11.309 353 HB2 GLU 46 HB2 GLU 46 -5.079 9.127 -11.359 354 HB3 GLU 46 HB3 GLU 46 -3.765 10.276 -11.595 355 HG2 GLU 46 HG2 GLU 46 -3.154 9.204 -13.698 356 HG3 GLU 46 HG3 GLU 46 -4.356 7.941 -13.438 357 H GLU 47 H GLU 47 -1.202 7.336 -9.754 358 HA GLU 47 HA GLU 47 0.911 7.751 -9.224 359 HB2 GLU 47 HB2 GLU 47 1.147 8.244 -12.213 360 HB3 GLU 47 HB3 GLU 47 2.508 7.976 -11.131 361 HG2 GLU 47 HG2 GLU 47 2.153 5.883 -12.139 362 HG3 GLU 47 HG3 GLU 47 1.434 5.731 -10.544 363 H SER 48 H SER 48 -0.883 10.077 -9.032 364 HA SER 48 HA SER 48 0.431 12.491 -9.750 365 HB2 SER 48 HB2 SER 48 -1.653 12.044 -7.566 366 HB3 SER 48 HB3 SER 48 -1.254 13.581 -8.333 367 HG SER 48 HG SER 48 -3.155 12.566 -9.183 368 H ASP 49 H ASP 49 1.729 13.892 -8.524 369 HA ASP 49 HA ASP 49 3.297 14.593 -7.042 370 HB2 ASP 49 HB2 ASP 49 1.705 13.059 -4.949 371 HB3 ASP 49 HB3 ASP 49 2.847 14.362 -4.634 372 H PHE 50 H PHE 50 4.005 12.311 -8.483 373 HA PHE 50 HA PHE 50 5.713 10.846 -8.734 374 HB2 PHE 50 HB2 PHE 50 6.584 11.730 -5.947 375 HB3 PHE 50 HB3 PHE 50 7.531 10.693 -7.002 376 HD1 PHE 50 HD1 PHE 50 8.428 11.624 -9.181 377 HD2 PHE 50 HD2 PHE 50 6.680 14.124 -6.182 378 HE1 PHE 50 HE1 PHE 50 9.528 13.589 -10.168 379 HE2 PHE 50 HE2 PHE 50 7.784 16.086 -7.179 380 HZ PHE 50 HZ PHE 50 9.213 15.819 -9.172 381 H VAL 51 H VAL 51 3.159 10.205 -6.823 382 HA VAL 51 HA VAL 51 4.035 7.984 -5.242 383 HB VAL 51 HB VAL 51 1.176 8.651 -6.114 384 HG11 VAL 51 HG11 VAL 51 0.485 7.352 -4.125 385 HG12 VAL 51 HG12 VAL 51 2.171 6.933 -3.811 386 HG13 VAL 51 HG13 VAL 51 1.375 6.355 -5.277 387 HG21 VAL 51 HG21 VAL 51 2.605 9.491 -3.557 388 HG22 VAL 51 HG22 VAL 51 0.917 9.815 -3.960 389 HG23 VAL 51 HG23 VAL 51 2.207 10.557 -4.908 390 H VAL 52 H VAL 52 5.046 6.380 -6.450 391 HA VAL 52 HA VAL 52 3.722 5.279 -8.852 392 HB VAL 52 HB VAL 52 5.921 4.077 -9.250 393 HG11 VAL 52 HG11 VAL 52 7.119 6.082 -10.072 394 HG12 VAL 52 HG12 VAL 52 6.061 7.114 -9.107 395 HG13 VAL 52 HG13 VAL 52 5.392 6.163 -10.433 396 HG21 VAL 52 HG21 VAL 52 7.950 4.846 -8.049 397 HG22 VAL 52 HG22 VAL 52 6.814 4.071 -6.944 398 HG23 VAL 52 HG23 VAL 52 6.949 5.831 -6.975 399 H LEU 53 H LEU 53 2.888 3.263 -8.928 400 HA LEU 53 HA LEU 53 2.774 1.713 -6.402 401 HB2 LEU 53 HB2 LEU 53 0.893 1.548 -8.792 402 HB3 LEU 53 HB3 LEU 53 0.649 0.841 -7.199 403 HG LEU 53 HG LEU 53 0.634 3.814 -7.870 404 HD11 LEU 53 HD11 LEU 53 -1.739 3.754 -7.248 405 HD12 LEU 53 HD12 LEU 53 -1.642 2.008 -7.002 406 HD13 LEU 53 HD13 LEU 53 -1.397 2.692 -8.612 407 HD21 LEU 53 HD21 LEU 53 0.279 2.488 -5.157 408 HD22 LEU 53 HD22 LEU 53 -0.009 4.195 -5.507 409 HD23 LEU 53 HD23 LEU 53 1.613 3.530 -5.659 410 H GLU 54 H GLU 54 3.952 -0.107 -6.342 411 HA GLU 54 HA GLU 54 4.941 -1.386 -8.799 412 HB2 GLU 54 HB2 GLU 54 5.788 -1.917 -5.918 413 HB3 GLU 54 HB3 GLU 54 6.639 -2.401 -7.383 414 HG2 GLU 54 HG2 GLU 54 6.255 0.436 -6.380 415 HG3 GLU 54 HG3 GLU 54 7.736 -0.509 -6.282 416 H ASN 55 H ASN 55 3.848 -3.079 -9.560 417 HA ASN 55 HA ASN 55 2.308 -4.853 -7.742 418 HB2 ASN 55 HB2 ASN 55 1.593 -3.933 -10.570 419 HB3 ASN 55 HB3 ASN 55 0.692 -5.139 -9.650 420 HD21 ASN 55 HD21 ASN 55 1.597 -1.747 -9.783 421 HD22 ASN 55 HD22 ASN 55 0.317 -1.178 -8.775 422 H GLU 56 H GLU 56 2.899 -6.905 -7.795 423 HA GLU 56 HA GLU 56 3.941 -8.260 -10.137 424 HB2 GLU 56 HB2 GLU 56 5.993 -7.224 -9.154 425 HB3 GLU 56 HB3 GLU 56 5.647 -7.983 -7.608 426 HG2 GLU 56 HG2 GLU 56 7.415 -9.186 -8.771 427 HG3 GLU 56 HG3 GLU 56 5.989 -10.208 -8.607 428 H GLY 57 H GLY 57 2.136 -9.580 -9.969 429 HA2 GLY 57 HA2 GLY 57 0.845 -11.352 -9.329 430 HA3 GLY 57 HA3 GLY 57 2.181 -11.861 -8.315 431 HA PRO 58 HA PRO 58 -0.706 -10.643 -5.004 432 HB2 PRO 58 HB2 PRO 58 0.858 -11.788 -2.934 433 HB3 PRO 58 HB3 PRO 58 -0.446 -12.577 -3.819 434 HG2 PRO 58 HG2 PRO 58 2.343 -13.209 -3.929 435 HG3 PRO 58 HG3 PRO 58 1.038 -13.917 -4.896 436 HD2 PRO 58 HD2 PRO 58 3.006 -11.809 -5.635 437 HD3 PRO 58 HD3 PRO 58 2.114 -12.939 -6.678 438 H HIS 59 H HIS 59 2.558 -9.589 -5.425 439 HA HIS 59 HA HIS 59 2.697 -7.882 -3.071 440 HB2 HIS 59 HB2 HIS 59 4.536 -8.000 -5.497 441 HB3 HIS 59 HB3 HIS 59 4.866 -7.134 -3.999 442 HD1 HIS 59 HD1 HIS 59 5.952 -8.466 -2.130 443 HD2 HIS 59 HD2 HIS 59 4.556 -10.888 -5.195 444 HE1 HIS 59 HE1 HIS 59 6.879 -10.743 -1.655 445 HE2 HIS 59 HE2 HIS 59 5.877 -12.223 -3.423 446 H ARG 60 H ARG 60 1.555 -6.009 -2.990 447 HA ARG 60 HA ARG 60 0.956 -4.473 -5.479 448 HB2 ARG 60 HB2 ARG 60 -0.931 -5.183 -3.185 449 HB3 ARG 60 HB3 ARG 60 -1.345 -4.133 -4.531 450 HG2 ARG 60 HG2 ARG 60 -0.657 -7.080 -4.767 451 HG3 ARG 60 HG3 ARG 60 -2.290 -6.409 -4.749 452 HD2 ARG 60 HD2 ARG 60 -1.783 -5.147 -6.819 453 HD3 ARG 60 HD3 ARG 60 -0.160 -5.851 -6.842 454 HE ARG 60 HE ARG 60 -1.958 -7.972 -6.766 455 HH11 ARG 60 HH11 ARG 60 -1.280 -5.376 -8.957 456 HH12 ARG 60 HH12 ARG 60 -1.700 -6.311 -10.350 457 HH21 ARG 60 HH21 ARG 60 -2.526 -9.123 -8.558 458 HH22 ARG 60 HH22 ARG 60 -2.408 -8.399 -10.124 459 H ARG 61 H ARG 61 3.040 -3.482 -4.206 460 HA ARG 61 HA ARG 61 2.259 -1.905 -1.829 461 HB2 ARG 61 HB2 ARG 61 4.697 -1.749 -1.361 462 HB3 ARG 61 HB3 ARG 61 4.130 -3.412 -1.480 463 HG2 ARG 61 HG2 ARG 61 5.058 -3.570 -3.768 464 HG3 ARG 61 HG3 ARG 61 5.625 -1.901 -3.648 465 HD2 ARG 61 HD2 ARG 61 7.460 -3.468 -3.221 466 HD3 ARG 61 HD3 ARG 61 7.099 -2.531 -1.767 467 HE ARG 61 HE ARG 61 5.635 -4.896 -1.606 468 HH11 ARG 61 HH11 ARG 61 8.988 -4.021 -1.634 469 HH12 ARG 61 HH12 ARG 61 9.450 -5.400 -0.700 470 HH21 ARG 61 HH21 ARG 61 6.269 -6.652 -0.416 471 HH22 ARG 61 HH22 ARG 61 7.941 -6.859 -0.022 472 H LEU 62 H LEU 62 2.665 0.245 -1.580 473 HA LEU 62 HA LEU 62 3.033 1.945 -3.931 474 HB2 LEU 62 HB2 LEU 62 1.203 2.320 -2.284 475 HB3 LEU 62 HB3 LEU 62 2.380 2.611 -1.023 476 HG LEU 62 HG LEU 62 2.246 4.425 -3.467 477 HD11 LEU 62 HD11 LEU 62 0.572 4.721 -0.947 478 HD12 LEU 62 HD12 LEU 62 -0.033 4.358 -2.565 479 HD13 LEU 62 HD13 LEU 62 0.713 5.919 -2.238 480 HD21 LEU 62 HD21 LEU 62 3.143 6.133 -1.913 481 HD22 LEU 62 HD22 LEU 62 4.210 4.738 -2.025 482 HD23 LEU 62 HD23 LEU 62 3.172 4.937 -0.612 483 H VAL 63 H VAL 63 5.015 2.759 -4.450 484 HA VAL 63 HA VAL 63 7.016 3.276 -2.315 485 HB VAL 63 HB VAL 63 7.465 2.900 -5.319 486 HG11 VAL 63 HG11 VAL 63 9.894 3.100 -4.862 487 HG12 VAL 63 HG12 VAL 63 9.551 3.498 -3.178 488 HG13 VAL 63 HG13 VAL 63 9.045 4.594 -4.464 489 HG21 VAL 63 HG21 VAL 63 8.346 1.168 -2.972 490 HG22 VAL 63 HG22 VAL 63 8.726 0.876 -4.672 491 HG23 VAL 63 HG23 VAL 63 7.057 0.781 -4.114 492 H LEU 64 H LEU 64 7.790 5.334 -2.043 493 HA LEU 64 HA LEU 64 6.870 7.531 -3.773 494 HB2 LEU 64 HB2 LEU 64 5.225 7.130 -1.887 495 HB3 LEU 64 HB3 LEU 64 6.498 7.501 -0.746 496 HG LEU 64 HG LEU 64 4.825 9.357 -1.130 497 HD11 LEU 64 HD11 LEU 64 7.053 9.827 -0.209 498 HD12 LEU 64 HD12 LEU 64 6.419 11.162 -1.165 499 HD13 LEU 64 HD13 LEU 64 7.665 10.108 -1.849 500 HD21 LEU 64 HD21 LEU 64 6.138 9.612 -3.852 501 HD22 LEU 64 HD22 LEU 64 4.931 10.699 -3.157 502 HD23 LEU 64 HD23 LEU 64 4.496 9.038 -3.551 503 HA PRO 65 HA PRO 65 11.274 8.402 -2.938 504 HB2 PRO 65 HB2 PRO 65 11.733 10.126 -4.942 505 HB3 PRO 65 HB3 PRO 65 11.330 8.433 -5.273 506 HG2 PRO 65 HG2 PRO 65 9.500 10.843 -5.302 507 HG3 PRO 65 HG3 PRO 65 9.678 9.581 -6.527 508 HD2 PRO 65 HD2 PRO 65 7.698 9.552 -4.643 509 HD3 PRO 65 HD3 PRO 65 8.370 8.069 -5.361 510 H ALA 66 H ALA 66 8.969 11.171 -3.194 511 HA ALA 66 HA ALA 66 10.580 12.727 -1.254 512 HB1 ALA 66 HB1 ALA 66 10.315 14.777 -2.595 513 HB2 ALA 66 HB2 ALA 66 9.488 13.868 -3.864 514 HB3 ALA 66 HB3 ALA 66 11.187 13.550 -3.510 515 H THR 67 H THR 67 9.187 12.714 0.451 516 HA THR 67 HA THR 67 6.372 12.399 0.228 517 HB THR 67 HB THR 67 7.783 13.276 2.784 518 HG1 THR 67 HG1 THR 67 7.666 10.679 1.611 519 HG21 THR 67 HG21 THR 67 6.120 11.855 3.890 520 HG22 THR 67 HG22 THR 67 5.446 11.385 2.330 521 HG23 THR 67 HG23 THR 67 5.298 13.053 2.887 522 H GLN 68 H GLN 68 8.299 15.280 0.312 523 HA GLN 68 HA GLN 68 7.877 17.531 0.423 524 HB2 GLN 68 HB2 GLN 68 5.131 16.641 -0.598 525 HB3 GLN 68 HB3 GLN 68 5.845 18.234 -0.823 526 HG2 GLN 68 HG2 GLN 68 7.492 17.387 -2.343 527 HG3 GLN 68 HG3 GLN 68 7.107 15.717 -1.932 528 HE21 GLN 68 HE21 GLN 68 6.648 15.080 -4.026 529 HE22 GLN 68 HE22 GLN 68 5.277 15.645 -4.906 530 HA PRO 69 HA PRO 69 4.687 18.074 3.938 531 HB2 PRO 69 HB2 PRO 69 3.148 20.267 3.401 532 HB3 PRO 69 HB3 PRO 69 4.815 20.412 3.979 533 HG2 PRO 69 HG2 PRO 69 3.771 20.601 1.155 534 HG3 PRO 69 HG3 PRO 69 4.921 21.667 1.990 535 HD2 PRO 69 HD2 PRO 69 5.732 19.706 0.278 536 HD3 PRO 69 HD3 PRO 69 6.705 20.193 1.684 537 H SER 70 H SER 70 3.846 17.773 0.615 538 HA SER 70 HA SER 70 1.045 17.779 0.569 539 HB2 SER 70 HB2 SER 70 2.967 16.345 -1.303 540 HB3 SER 70 HB3 SER 70 1.288 16.753 -1.663 541 HG SER 70 HG SER 70 2.972 18.249 -2.443 542 H ASP 71 H ASP 71 3.245 14.951 0.840 543 HA ASP 71 HA ASP 71 1.039 13.049 0.645 544 HB2 ASP 71 HB2 ASP 71 4.042 12.666 0.924 545 HB3 ASP 71 HB3 ASP 71 2.902 11.329 0.783 546 H GLY 72 H GLY 72 1.438 14.830 3.120 547 HA2 GLY 72 HA2 GLY 72 1.434 12.800 5.256 548 HA3 GLY 72 HA3 GLY 72 1.385 14.544 5.459 549 H GLY 73 H GLY 73 -0.529 11.707 4.544 550 HA2 GLY 73 HA2 GLY 73 -2.842 12.643 5.938 551 HA3 GLY 73 HA3 GLY 73 -3.052 12.837 4.203 552 H GLU 74 H GLU 74 -4.840 11.396 4.377 553 HA GLU 74 HA GLU 74 -4.531 8.685 5.345 554 HB2 GLU 74 HB2 GLU 74 -6.885 10.019 3.933 555 HB3 GLU 74 HB3 GLU 74 -6.938 8.466 4.768 556 HG2 GLU 74 HG2 GLU 74 -6.501 9.554 6.904 557 HG3 GLU 74 HG3 GLU 74 -6.297 11.112 6.112 558 H PHE 75 H PHE 75 -3.376 7.301 4.076 559 HA PHE 75 HA PHE 75 -3.954 7.096 1.187 560 HB2 PHE 75 HB2 PHE 75 -1.680 5.980 2.875 561 HB3 PHE 75 HB3 PHE 75 -1.950 5.503 1.203 562 HD1 PHE 75 HD2 PHE 75 -1.431 8.594 3.288 563 HD2 PHE 75 HD1 PHE 75 -0.871 6.712 -0.511 564 HE1 PHE 75 HE2 PHE 75 -0.081 10.504 2.534 565 HE2 PHE 75 HE1 PHE 75 0.480 8.629 -1.255 566 HZ PHE 75 HZ PHE 75 0.880 10.524 0.265 567 H GLN 76 H GLN 76 -5.469 5.647 0.611 568 HA GLN 76 HA GLN 76 -6.092 3.353 2.401 569 HB2 GLN 76 HB2 GLN 76 -7.870 5.063 2.294 570 HB3 GLN 76 HB3 GLN 76 -7.934 4.915 0.541 571 HG2 GLN 76 HG2 GLN 76 -8.697 2.565 0.784 572 HG3 GLN 76 HG3 GLN 76 -8.656 2.747 2.539 573 HE21 GLN 76 HE21 GLN 76 -10.908 2.125 0.775 574 HE22 GLN 76 HE22 GLN 76 -12.100 3.328 1.075 575 H CYS 77 H CYS 77 -5.974 1.324 1.569 576 HA CYS 77 HA CYS 77 -5.555 0.968 -1.359 577 HB2 CYS 77 HB2 CYS 77 -3.482 0.599 -0.030 578 HB3 CYS 77 HB3 CYS 77 -4.305 -0.649 0.902 579 HG CYS 77 HG CYS 77 -2.851 -2.173 -0.730 580 H VAL 78 H VAL 78 -7.439 0.115 -2.138 581 HA VAL 78 HA VAL 78 -8.877 -1.967 -0.584 582 HB VAL 78 HB VAL 78 -9.966 -0.505 -3.031 583 HG11 VAL 78 HG11 VAL 78 -11.139 -2.591 -2.429 584 HG12 VAL 78 HG12 VAL 78 -12.172 -1.189 -2.147 585 HG13 VAL 78 HG13 VAL 78 -11.390 -1.995 -0.785 586 HG21 VAL 78 HG21 VAL 78 -9.408 1.215 -1.368 587 HG22 VAL 78 HG22 VAL 78 -10.317 0.346 -0.130 588 HG23 VAL 78 HG23 VAL 78 -11.158 1.043 -1.518 589 H ALA 79 H ALA 79 -8.250 -3.993 -1.159 590 HA ALA 79 HA ALA 79 -7.052 -4.744 -3.646 591 HB1 ALA 79 HB1 ALA 79 -7.189 -7.047 -2.780 592 HB2 ALA 79 HB2 ALA 79 -8.276 -6.512 -1.495 593 HB3 ALA 79 HB3 ALA 79 -6.607 -5.941 -1.532 594 H GLY 80 H GLY 80 -10.248 -5.352 -2.250 595 HA2 GLY 80 HA2 GLY 80 -11.723 -5.266 -4.667 596 HA3 GLY 80 HA3 GLY 80 -11.386 -6.947 -4.254 597 H ASP 81 H ASP 81 -12.276 -7.845 -2.385 598 HA ASP 81 HA ASP 81 -14.776 -6.800 -1.457 599 HB2 ASP 81 HB2 ASP 81 -13.131 -9.143 -0.405 600 HB3 ASP 81 HB3 ASP 81 -14.828 -8.834 -0.042 601 H GLU 82 H GLU 82 -11.487 -6.814 -0.160 602 HA GLU 82 HA GLU 82 -12.400 -5.457 2.324 603 HB2 GLU 82 HB2 GLU 82 -9.877 -7.135 1.956 604 HB3 GLU 82 HB3 GLU 82 -10.401 -6.357 3.450 605 HG2 GLU 82 HG2 GLU 82 -12.498 -7.771 3.332 606 HG3 GLU 82 HG3 GLU 82 -11.751 -8.648 2.000 607 H CYS 83 H CYS 83 -10.821 -3.971 3.314 608 HA CYS 83 HA CYS 83 -9.103 -2.452 1.463 609 HB2 CYS 83 HB2 CYS 83 -10.213 -0.317 2.111 610 HB3 CYS 83 HB3 CYS 83 -11.319 -1.401 1.274 611 HG CYS 83 HG CYS 83 -11.402 -1.688 4.616 612 H ALA 84 H ALA 84 -7.338 -1.572 2.459 613 HA ALA 84 HA ALA 84 -7.090 -1.688 5.412 614 HB1 ALA 84 HB1 ALA 84 -4.661 -1.872 5.030 615 HB2 ALA 84 HB2 ALA 84 -4.918 -1.776 3.286 616 HB3 ALA 84 HB3 ALA 84 -5.534 -3.158 4.192 617 H TYR 85 H TYR 85 -5.963 0.095 6.473 618 HA TYR 85 HA TYR 85 -6.137 2.684 5.009 619 HB2 TYR 85 HB2 TYR 85 -6.949 2.158 7.899 620 HB3 TYR 85 HB3 TYR 85 -6.981 3.723 7.099 621 HD1 TYR 85 HD2 TYR 85 -8.642 4.114 5.208 622 HD2 TYR 85 HD1 TYR 85 -8.795 0.606 7.654 623 HE1 TYR 85 HE2 TYR 85 -10.957 3.706 4.486 624 HE2 TYR 85 HE1 TYR 85 -11.110 0.207 6.925 625 HH TYR 85 HH TYR 85 -13.006 1.491 6.029 626 H PHE 86 H PHE 86 -4.366 3.914 5.092 627 HA PHE 86 HA PHE 86 -2.327 3.596 7.233 628 HB2 PHE 86 HB2 PHE 86 -1.955 4.677 4.395 629 HB3 PHE 86 HB3 PHE 86 -0.693 4.571 5.615 630 HD1 PHE 86 HD1 PHE 86 -2.988 2.490 3.510 631 HD2 PHE 86 HD2 PHE 86 0.615 2.585 5.815 632 HE1 PHE 86 HE1 PHE 86 -2.371 0.271 2.647 633 HE2 PHE 86 HE2 PHE 86 1.225 0.366 4.941 634 HZ PHE 86 HZ PHE 86 -0.264 -0.792 3.359 635 H THR 87 H THR 87 -2.144 5.354 8.577 636 HA THR 87 HA THR 87 -3.012 8.040 7.649 637 HB THR 87 HB THR 87 -2.653 6.984 10.498 638 HG1 THR 87 HG1 THR 87 -5.059 8.018 9.431 639 HG21 THR 87 HG21 THR 87 -3.548 9.168 11.262 640 HG22 THR 87 HG22 THR 87 -3.518 9.763 9.603 641 HG23 THR 87 HG23 THR 87 -2.006 9.372 10.424 642 H VAL 88 H VAL 88 -1.227 8.860 6.647 643 HA VAL 88 HA VAL 88 1.432 8.657 7.875 644 HB VAL 88 HB VAL 88 0.635 9.949 5.220 645 HG11 VAL 88 HG11 VAL 88 2.741 10.876 6.085 646 HG12 VAL 88 HG12 VAL 88 3.061 9.858 4.681 647 HG13 VAL 88 HG13 VAL 88 3.396 9.250 6.304 648 HG21 VAL 88 HG21 VAL 88 0.178 7.523 5.178 649 HG22 VAL 88 HG22 VAL 88 1.826 7.186 5.713 650 HG23 VAL 88 HG23 VAL 88 1.543 7.918 4.132 651 H THR 89 H THR 89 2.044 10.199 9.292 652 HA THR 89 HA THR 89 1.125 13.008 8.929 653 HB THR 89 HB THR 89 1.780 11.632 11.579 654 HG1 THR 89 HG1 THR 89 -0.642 12.163 10.235 655 HG21 THR 89 HG21 THR 89 0.726 14.446 11.062 656 HG22 THR 89 HG22 THR 89 2.350 14.049 11.626 657 HG23 THR 89 HG23 THR 89 0.955 13.706 12.648 658 H ILE 90 H ILE 90 2.734 14.320 8.369 659 HA ILE 90 HA ILE 90 5.525 13.501 8.526 660 HB ILE 90 HB ILE 90 4.247 16.001 7.341 661 HG12 ILE 90 HG12 ILE 90 5.259 13.479 5.931 662 HG13 ILE 90 HG13 ILE 90 3.564 13.859 6.215 663 HG21 ILE 90 HG21 ILE 90 7.102 14.978 7.052 664 HG22 ILE 90 HG22 ILE 90 6.594 16.440 7.901 665 HG23 ILE 90 HG23 ILE 90 6.408 16.331 6.151 666 HD11 ILE 90 HD11 ILE 90 3.773 15.828 4.770 667 HD12 ILE 90 HD12 ILE 90 4.196 14.333 3.937 668 HD13 ILE 90 HD13 ILE 90 5.468 15.425 4.480 Start of MODEL 10 1 H HIS 1 H1 HIS 1 -17.341 -19.957 -6.106 2 HA HIS 1 HA HIS 1 -18.656 -17.450 -5.259 3 HB2 HIS 1 HB2 HIS 1 -19.963 -19.569 -4.761 4 HB3 HIS 1 HB3 HIS 1 -18.590 -20.150 -3.830 5 HD1 HIS 1 HD1 HIS 1 -21.277 -17.487 -3.760 6 HD2 HIS 1 HD2 HIS 1 -18.452 -19.159 -1.209 7 HE1 HIS 1 HE1 HIS 1 -21.837 -16.619 -1.477 8 HE2 HIS 1 HE2 HIS 1 -19.974 -17.446 -0.019 9 H MET 2 H MET 2 -16.253 -16.811 -5.736 10 HA MET 2 HA MET 2 -14.697 -17.073 -3.224 11 HB2 MET 2 HB2 MET 2 -13.593 -17.199 -6.065 12 HB3 MET 2 HB3 MET 2 -12.584 -16.937 -4.648 13 HG2 MET 2 HG2 MET 2 -13.306 -19.135 -3.757 14 HG3 MET 2 HG3 MET 2 -14.243 -19.398 -5.232 15 HE1 MET 2 HE1 MET 2 -11.958 -21.427 -4.125 16 HE2 MET 2 HE2 MET 2 -11.131 -21.836 -5.628 17 HE3 MET 2 HE3 MET 2 -12.892 -21.749 -5.588 18 HA PRO 3 HA PRO 3 -14.309 -12.541 -3.930 19 HB2 PRO 3 HB2 PRO 3 -14.234 -11.762 -1.373 20 HB3 PRO 3 HB3 PRO 3 -15.746 -12.378 -2.061 21 HG2 PRO 3 HG2 PRO 3 -13.796 -13.742 -0.229 22 HG3 PRO 3 HG3 PRO 3 -15.567 -13.849 -0.265 23 HD2 PRO 3 HD2 PRO 3 -13.727 -15.679 -1.461 24 HD3 PRO 3 HD3 PRO 3 -15.488 -15.647 -1.692 25 H VAL 4 H VAL 4 -12.620 -10.990 -2.535 26 HA VAL 4 HA VAL 4 -9.958 -12.320 -2.488 27 HB VAL 4 HB VAL 4 -10.147 -10.459 -4.107 28 HG11 VAL 4 HG11 VAL 4 -10.482 -8.107 -3.374 29 HG12 VAL 4 HG12 VAL 4 -10.786 -8.664 -1.727 30 HG13 VAL 4 HG13 VAL 4 -11.895 -9.110 -3.025 31 HG21 VAL 4 HG21 VAL 4 -8.172 -9.120 -3.418 32 HG22 VAL 4 HG22 VAL 4 -7.937 -10.838 -3.093 33 HG23 VAL 4 HG23 VAL 4 -8.326 -9.738 -1.770 34 H HIS 5 H HIS 5 -8.511 -11.847 -0.690 35 HA HIS 5 HA HIS 5 -9.650 -10.487 1.663 36 HB2 HIS 5 HB2 HIS 5 -9.893 -13.068 1.781 37 HB3 HIS 5 HB3 HIS 5 -8.143 -13.116 1.962 38 HD1 HIS 5 HD1 HIS 5 -11.269 -11.943 3.730 39 HD2 HIS 5 HD2 HIS 5 -7.225 -12.465 4.524 40 HE1 HIS 5 HE1 HIS 5 -11.030 -11.641 6.205 41 HE2 HIS 5 HE2 HIS 5 -8.556 -11.750 6.618 42 H ILE 6 H ILE 6 -8.043 -9.553 3.110 43 HA ILE 6 HA ILE 6 -5.394 -9.057 1.901 44 HB ILE 6 HB ILE 6 -6.633 -7.806 4.404 45 HG12 ILE 6 HG12 ILE 6 -7.895 -7.168 2.364 46 HG13 ILE 6 HG13 ILE 6 -7.062 -5.789 3.061 47 HG21 ILE 6 HG21 ILE 6 -4.119 -6.977 2.893 48 HG22 ILE 6 HG22 ILE 6 -4.182 -7.706 4.498 49 HG23 ILE 6 HG23 ILE 6 -4.843 -6.092 4.241 50 HD11 ILE 6 HD11 ILE 6 -5.331 -5.973 1.329 51 HD12 ILE 6 HD12 ILE 6 -6.944 -5.756 0.649 52 HD13 ILE 6 HD13 ILE 6 -6.191 -7.349 0.630 53 H VAL 7 H VAL 7 -3.580 -10.133 2.595 54 HA VAL 7 HA VAL 7 -3.608 -11.583 5.181 55 HB VAL 7 HB VAL 7 -1.431 -12.607 4.397 56 HG11 VAL 7 HG11 VAL 7 -3.861 -13.078 2.642 57 HG12 VAL 7 HG12 VAL 7 -3.534 -13.822 4.207 58 HG13 VAL 7 HG13 VAL 7 -2.498 -14.185 2.827 59 HG21 VAL 7 HG21 VAL 7 -2.097 -11.277 1.729 60 HG22 VAL 7 HG22 VAL 7 -0.819 -12.467 1.995 61 HG23 VAL 7 HG23 VAL 7 -0.723 -10.885 2.769 62 H ASP 8 H ASP 8 -2.080 -8.853 3.593 63 HA ASP 8 HA ASP 8 -1.023 -7.882 6.097 64 HB2 ASP 8 HB2 ASP 8 0.787 -9.426 5.378 65 HB3 ASP 8 HB3 ASP 8 0.914 -8.571 3.840 66 HA PRO 9 HA PRO 9 -0.679 -6.187 7.031 67 HB2 PRO 9 HB2 PRO 9 -1.372 -3.720 7.856 68 HB3 PRO 9 HB3 PRO 9 0.178 -4.020 7.056 69 HG2 PRO 9 HG2 PRO 9 -2.361 -2.873 5.913 70 HG3 PRO 9 HG3 PRO 9 -0.682 -2.339 5.677 71 HD2 PRO 9 HD2 PRO 9 -2.084 -3.955 3.892 72 HD3 PRO 9 HD3 PRO 9 -0.311 -3.882 3.991 73 H ARG 10 H ARG 10 -2.140 -7.234 8.199 74 HA ARG 10 HA ARG 10 -4.979 -7.184 7.867 75 HB2 ARG 10 HB2 ARG 10 -3.379 -8.171 10.272 76 HB3 ARG 10 HB3 ARG 10 -5.032 -8.628 9.848 77 HG2 ARG 10 HG2 ARG 10 -4.243 -9.794 7.854 78 HG3 ARG 10 HG3 ARG 10 -2.592 -9.235 8.144 79 HD2 ARG 10 HD2 ARG 10 -2.599 -10.508 10.300 80 HD3 ARG 10 HD3 ARG 10 -4.195 -11.143 9.880 81 HE ARG 10 HE ARG 10 -2.120 -11.604 7.905 82 HH11 ARG 10 HH11 ARG 10 -3.785 -12.921 10.644 83 HH12 ARG 10 HH12 ARG 10 -3.255 -14.532 10.317 84 HH21 ARG 10 HH21 ARG 10 -1.445 -13.663 7.529 85 HH22 ARG 10 HH22 ARG 10 -1.946 -14.943 8.574 86 H GLU 11 H GLU 11 -2.704 -5.681 10.069 87 HA GLU 11 HA GLU 11 -4.561 -4.385 11.825 88 HB2 GLU 11 HB2 GLU 11 -2.529 -3.233 12.706 89 HB3 GLU 11 HB3 GLU 11 -2.285 -4.973 12.568 90 HG2 GLU 11 HG2 GLU 11 -0.996 -4.665 10.506 91 HG3 GLU 11 HG3 GLU 11 -1.295 -2.932 10.544 92 H HIS 12 H HIS 12 -4.527 -1.985 12.142 93 HA HIS 12 HA HIS 12 -4.765 -0.484 9.608 94 HB2 HIS 12 HB2 HIS 12 -5.612 0.362 12.423 95 HB3 HIS 12 HB3 HIS 12 -6.095 1.107 10.901 96 HD1 HIS 12 HD1 HIS 12 -7.946 -0.086 9.531 97 HD2 HIS 12 HD2 HIS 12 -7.038 -1.960 13.124 98 HE1 HIS 12 HE1 HIS 12 -9.724 -1.823 9.849 99 HE2 HIS 12 HE2 HIS 12 -9.267 -2.798 12.122 100 H VAL 13 H VAL 13 -2.818 0.392 9.026 101 HA VAL 13 HA VAL 13 -0.714 0.705 11.023 102 HB VAL 13 HB VAL 13 -0.531 0.987 7.988 103 HG11 VAL 13 HG11 VAL 13 1.674 0.571 10.045 104 HG12 VAL 13 HG12 VAL 13 1.352 2.065 9.165 105 HG13 VAL 13 HG13 VAL 13 1.893 0.630 8.293 106 HG21 VAL 13 HG21 VAL 13 0.327 -1.330 7.975 107 HG22 VAL 13 HG22 VAL 13 -1.319 -1.266 8.607 108 HG23 VAL 13 HG23 VAL 13 0.043 -1.454 9.715 109 H PHE 14 H PHE 14 -0.132 2.589 11.879 110 HA PHE 14 HA PHE 14 -0.691 5.167 10.521 111 HB2 PHE 14 HB2 PHE 14 -0.026 4.538 13.441 112 HB3 PHE 14 HB3 PHE 14 -0.210 6.165 12.797 113 HD1 PHE 14 HD1 PHE 14 -2.071 2.962 13.362 114 HD2 PHE 14 HD2 PHE 14 -2.375 7.172 12.666 115 HE1 PHE 14 HE1 PHE 14 -4.490 2.868 13.821 116 HE2 PHE 14 HE2 PHE 14 -4.792 7.067 13.126 117 HZ PHE 14 HZ PHE 14 -5.852 4.921 13.701 118 H VAL 15 H VAL 15 1.011 5.856 9.341 119 HA VAL 15 HA VAL 15 3.796 5.151 10.099 120 HB VAL 15 HB VAL 15 2.664 5.976 7.377 121 HG11 VAL 15 HG11 VAL 15 5.496 5.098 8.061 122 HG12 VAL 15 HG12 VAL 15 5.001 6.723 7.588 123 HG13 VAL 15 HG13 VAL 15 4.879 5.395 6.433 124 HG21 VAL 15 HG21 VAL 15 3.118 3.639 6.690 125 HG22 VAL 15 HG22 VAL 15 1.948 3.715 8.009 126 HG23 VAL 15 HG23 VAL 15 3.620 3.255 8.338 127 H HIS 16 H HIS 16 5.130 6.817 10.752 128 HA HIS 16 HA HIS 16 4.352 9.609 10.335 129 HB2 HIS 16 HB2 HIS 16 5.305 9.078 12.517 130 HB3 HIS 16 HB3 HIS 16 6.739 8.379 11.775 131 HD1 HIS 16 HD1 HIS 16 8.642 9.947 11.243 132 HD2 HIS 16 HD2 HIS 16 5.157 11.984 12.240 133 HE1 HIS 16 HE1 HIS 16 9.301 12.354 11.414 134 HE2 HIS 16 HE2 HIS 16 7.190 13.572 12.004 135 H ALA 17 H ALA 17 5.092 10.822 8.689 136 HA ALA 17 HA ALA 17 7.454 9.951 7.108 137 HB1 ALA 17 HB1 ALA 17 5.038 11.526 6.158 138 HB2 ALA 17 HB2 ALA 17 5.365 9.828 5.822 139 HB3 ALA 17 HB3 ALA 17 6.432 11.072 5.171 140 H ILE 18 H ILE 18 8.957 11.477 6.531 141 HA ILE 18 HA ILE 18 8.804 14.189 7.718 142 HB ILE 18 HB ILE 18 11.232 12.606 6.730 143 HG12 ILE 18 HG12 ILE 18 10.435 13.303 9.600 144 HG13 ILE 18 HG13 ILE 18 10.253 11.718 8.859 145 HG21 ILE 18 HG21 ILE 18 11.603 15.012 6.403 146 HG22 ILE 18 HG22 ILE 18 12.634 14.406 7.698 147 HG23 ILE 18 HG23 ILE 18 11.181 15.328 8.088 148 HD11 ILE 18 HD11 ILE 18 12.179 11.797 10.325 149 HD12 ILE 18 HD12 ILE 18 12.869 13.128 9.397 150 HD13 ILE 18 HD13 ILE 18 12.688 11.535 8.657 151 H THR 19 H THR 19 9.154 16.002 6.357 152 HA THR 19 HA THR 19 8.327 15.879 3.655 153 HB THR 19 HB THR 19 9.050 18.303 3.542 154 HG1 THR 19 HG1 THR 19 10.828 17.940 5.149 155 HG21 THR 19 HG21 THR 19 7.450 19.161 5.211 156 HG22 THR 19 HG22 THR 19 7.439 17.595 6.021 157 HG23 THR 19 HG23 THR 19 6.793 17.746 4.384 158 H SER 20 H SER 20 9.431 15.768 1.764 159 HA SER 20 HA SER 20 11.008 15.325 0.225 160 HB2 SER 20 HB2 SER 20 12.861 16.829 2.117 161 HB3 SER 20 HB3 SER 20 13.311 16.320 0.488 162 HG SER 20 HG SER 20 12.238 17.941 -0.292 163 H GLU 21 H GLU 21 10.674 13.472 2.699 164 HA GLU 21 HA GLU 21 13.171 11.886 2.404 165 HB2 GLU 21 HB2 GLU 21 12.061 12.774 4.730 166 HB3 GLU 21 HB3 GLU 21 11.191 11.257 4.591 167 HG2 GLU 21 HG2 GLU 21 14.209 11.596 4.705 168 HG3 GLU 21 HG3 GLU 21 13.177 11.083 6.036 169 H CYS 22 H CYS 22 13.046 9.646 1.957 170 HA CYS 22 HA CYS 22 10.953 8.878 0.161 171 HB2 CYS 22 HB2 CYS 22 12.262 6.807 -0.154 172 HB3 CYS 22 HB3 CYS 22 13.305 8.223 -0.222 173 HG CYS 22 HG CYS 22 13.386 7.394 2.862 174 H VAL 23 H VAL 23 9.079 7.877 0.625 175 HA VAL 23 HA VAL 23 8.832 6.193 3.067 176 HB VAL 23 HB VAL 23 6.646 7.917 1.803 177 HG11 VAL 23 HG11 VAL 23 5.248 7.268 3.750 178 HG12 VAL 23 HG12 VAL 23 6.521 6.176 4.298 179 HG13 VAL 23 HG13 VAL 23 5.691 5.865 2.774 180 HG21 VAL 23 HG21 VAL 23 8.315 9.281 3.003 181 HG22 VAL 23 HG22 VAL 23 8.118 8.279 4.443 182 HG23 VAL 23 HG23 VAL 23 6.777 9.275 3.872 183 H MET 24 H MET 24 8.451 4.112 2.655 184 HA MET 24 HA MET 24 7.196 3.233 0.110 185 HB2 MET 24 HB2 MET 24 9.069 1.801 2.043 186 HB3 MET 24 HB3 MET 24 8.224 0.967 0.746 187 HG2 MET 24 HG2 MET 24 9.406 2.218 -0.925 188 HG3 MET 24 HG3 MET 24 10.122 3.278 0.294 189 HE1 MET 24 HE1 MET 24 10.030 -0.406 -1.141 190 HE2 MET 24 HE2 MET 24 9.664 -0.646 0.568 191 HE3 MET 24 HE3 MET 24 11.200 -1.208 -0.092 192 H LEU 25 H LEU 25 5.018 3.244 0.589 193 HA LEU 25 HA LEU 25 3.965 1.832 2.936 194 HB2 LEU 25 HB2 LEU 25 2.479 3.120 0.611 195 HB3 LEU 25 HB3 LEU 25 1.767 2.565 2.124 196 HG LEU 25 HG LEU 25 3.696 4.903 1.801 197 HD11 LEU 25 HD11 LEU 25 1.784 6.307 2.417 198 HD12 LEU 25 HD12 LEU 25 0.738 4.886 2.473 199 HD13 LEU 25 HD13 LEU 25 1.461 5.394 0.944 200 HD21 LEU 25 HD21 LEU 25 4.082 3.798 3.957 201 HD22 LEU 25 HD22 LEU 25 2.361 3.879 4.338 202 HD23 LEU 25 HD23 LEU 25 3.305 5.361 4.196 203 H ALA 26 H ALA 26 2.915 -0.209 2.812 204 HA ALA 26 HA ALA 26 2.981 -1.629 0.203 205 HB1 ALA 26 HB1 ALA 26 4.112 -2.729 2.795 206 HB2 ALA 26 HB2 ALA 26 5.061 -2.141 1.430 207 HB3 ALA 26 HB3 ALA 26 4.045 -3.572 1.244 208 H CYS 27 H CYS 27 1.125 -2.643 -0.226 209 HA CYS 27 HA CYS 27 -0.379 -4.042 1.896 210 HB2 CYS 27 HB2 CYS 27 -1.620 -2.308 -0.281 211 HB3 CYS 27 HB3 CYS 27 -2.532 -3.389 0.775 212 HG CYS 27 HG CYS 27 -0.614 -1.332 2.503 213 H GLU 28 H GLU 28 -0.312 -6.123 1.385 214 HA GLU 28 HA GLU 28 -0.398 -7.017 -1.434 215 HB2 GLU 28 HB2 GLU 28 1.176 -8.216 0.891 216 HB3 GLU 28 HB3 GLU 28 1.084 -8.906 -0.730 217 HG2 GLU 28 HG2 GLU 28 2.236 -7.019 -1.680 218 HG3 GLU 28 HG3 GLU 28 2.143 -6.128 -0.169 219 H VAL 29 H VAL 29 -1.889 -8.462 -1.947 220 HA VAL 29 HA VAL 29 -3.928 -9.189 0.022 221 HB VAL 29 HB VAL 29 -5.290 -9.810 -2.009 222 HG11 VAL 29 HG11 VAL 29 -5.625 -7.509 -2.831 223 HG12 VAL 29 HG12 VAL 29 -4.101 -7.015 -2.091 224 HG13 VAL 29 HG13 VAL 29 -5.445 -7.542 -1.077 225 HG21 VAL 29 HG21 VAL 29 -4.446 -9.182 -4.265 226 HG22 VAL 29 HG22 VAL 29 -3.475 -10.459 -3.530 227 HG23 VAL 29 HG23 VAL 29 -2.868 -8.800 -3.557 228 H ASP 30 H ASP 30 -5.006 -11.301 -0.239 229 HA ASP 30 HA ASP 30 -3.200 -13.562 -0.180 230 HB2 ASP 30 HB2 ASP 30 -5.051 -13.334 1.469 231 HB3 ASP 30 HB3 ASP 30 -6.230 -13.395 0.162 232 H ARG 31 H ARG 31 -5.393 -12.106 -2.463 233 HA ARG 31 HA ARG 31 -5.328 -14.493 -4.229 234 HB2 ARG 31 HB2 ARG 31 -7.581 -13.991 -3.288 235 HB3 ARG 31 HB3 ARG 31 -7.515 -12.384 -4.003 236 HG2 ARG 31 HG2 ARG 31 -7.432 -13.391 -6.257 237 HG3 ARG 31 HG3 ARG 31 -7.489 -15.003 -5.537 238 HD2 ARG 31 HD2 ARG 31 -9.710 -14.499 -4.594 239 HD3 ARG 31 HD3 ARG 31 -9.642 -12.880 -5.307 240 HE ARG 31 HE ARG 31 -9.260 -14.753 -7.352 241 HH11 ARG 31 HH11 ARG 31 -11.785 -13.835 -5.196 242 HH12 ARG 31 HH12 ARG 31 -13.030 -14.213 -6.327 243 HH21 ARG 31 HH21 ARG 31 -10.883 -15.240 -8.786 244 HH22 ARG 31 HH22 ARG 31 -12.527 -15.010 -8.315 245 H GLU 32 H GLU 32 -4.003 -14.148 -5.874 246 HA GLU 32 HA GLU 32 -2.848 -11.719 -6.680 247 HB2 GLU 32 HB2 GLU 32 -1.894 -13.047 -8.545 248 HB3 GLU 32 HB3 GLU 32 -1.785 -13.903 -7.009 249 HG2 GLU 32 HG2 GLU 32 -3.860 -15.192 -7.671 250 HG3 GLU 32 HG3 GLU 32 -3.756 -14.435 -9.259 251 H ASP 33 H ASP 33 -5.800 -13.247 -7.769 252 HA ASP 33 HA ASP 33 -6.251 -12.027 -10.255 253 HB2 ASP 33 HB2 ASP 33 -8.330 -12.838 -8.173 254 HB3 ASP 33 HB3 ASP 33 -8.638 -12.572 -9.891 255 H ALA 34 H ALA 34 -6.795 -10.789 -6.990 256 HA ALA 34 HA ALA 34 -7.807 -8.218 -8.077 257 HB1 ALA 34 HB1 ALA 34 -9.295 -8.033 -6.126 258 HB2 ALA 34 HB2 ALA 34 -8.747 -9.608 -5.541 259 HB3 ALA 34 HB3 ALA 34 -9.654 -9.494 -7.050 260 HA PRO 35 HA PRO 35 -4.110 -7.052 -5.484 261 HB2 PRO 35 HB2 PRO 35 -3.479 -5.164 -7.660 262 HB3 PRO 35 HB3 PRO 35 -2.502 -6.498 -7.041 263 HG2 PRO 35 HG2 PRO 35 -3.642 -6.535 -9.521 264 HG3 PRO 35 HG3 PRO 35 -3.362 -8.012 -8.574 265 HD2 PRO 35 HD2 PRO 35 -5.917 -6.422 -8.896 266 HD3 PRO 35 HD3 PRO 35 -5.668 -8.183 -8.975 267 H VAL 36 H VAL 36 -3.527 -4.723 -4.743 268 HA VAL 36 HA VAL 36 -6.053 -3.501 -3.971 269 HB VAL 36 HB VAL 36 -4.989 -2.442 -2.197 270 HG11 VAL 36 HG11 VAL 36 -4.753 -4.857 -1.910 271 HG12 VAL 36 HG12 VAL 36 -3.385 -4.025 -1.169 272 HG13 VAL 36 HG13 VAL 36 -3.190 -4.826 -2.733 273 HG21 VAL 36 HG21 VAL 36 -3.377 -1.046 -3.360 274 HG22 VAL 36 HG22 VAL 36 -2.359 -2.436 -3.712 275 HG23 VAL 36 HG23 VAL 36 -2.546 -1.888 -2.047 276 H ARG 37 H ARG 37 -6.642 -1.373 -4.227 277 HA ARG 37 HA ARG 37 -5.343 0.241 -6.346 278 HB2 ARG 37 HB2 ARG 37 -8.169 0.500 -5.210 279 HB3 ARG 37 HB3 ARG 37 -7.521 1.340 -6.620 280 HG2 ARG 37 HG2 ARG 37 -7.494 -0.686 -7.911 281 HG3 ARG 37 HG3 ARG 37 -7.820 -1.674 -6.483 282 HD2 ARG 37 HD2 ARG 37 -10.057 -0.520 -6.284 283 HD3 ARG 37 HD3 ARG 37 -9.728 0.270 -7.836 284 HE ARG 37 HE ARG 37 -9.372 -2.428 -8.274 285 HH11 ARG 37 HH11 ARG 37 -12.052 -0.477 -7.250 286 HH12 ARG 37 HH12 ARG 37 -13.219 -1.546 -7.938 287 HH21 ARG 37 HH21 ARG 37 -10.876 -3.755 -9.133 288 HH22 ARG 37 HH22 ARG 37 -12.557 -3.379 -8.989 289 H TRP 38 H TRP 38 -4.215 1.980 -5.564 290 HA TRP 38 HA TRP 38 -4.431 2.748 -2.753 291 HB2 TRP 38 HB2 TRP 38 -2.553 3.635 -4.993 292 HB3 TRP 38 HB3 TRP 38 -2.491 4.301 -3.365 293 HD1 TRP 38 HD1 TRP 38 -1.617 1.105 -5.324 294 HE1 TRP 38 HE1 TRP 38 -0.127 -0.375 -3.835 295 HE3 TRP 38 HE3 TRP 38 -1.946 3.746 -0.952 296 HZ2 TRP 38 HZ2 TRP 38 0.774 -0.435 -1.158 297 HZ3 TRP 38 HZ3 TRP 38 -0.753 2.918 1.030 298 HH2 TRP 38 HH2 TRP 38 0.590 0.865 0.927 299 H TYR 39 H TYR 39 -5.451 4.558 -2.008 300 HA TYR 39 HA TYR 39 -6.281 6.706 -3.889 301 HB2 TYR 39 HB2 TYR 39 -7.954 5.546 -1.613 302 HB3 TYR 39 HB3 TYR 39 -8.390 6.973 -2.545 303 HD1 TYR 39 HD2 TYR 39 -9.202 6.745 -4.878 304 HD2 TYR 39 HD1 TYR 39 -8.188 3.294 -2.575 305 HE1 TYR 39 HE2 TYR 39 -10.342 5.312 -6.518 306 HE2 TYR 39 HE1 TYR 39 -9.324 1.869 -4.219 307 HH TYR 39 HH TYR 39 -10.138 2.877 -7.261 308 H LYS 40 H LYS 40 -5.596 8.681 -3.254 309 HA LYS 40 HA LYS 40 -4.604 9.119 -0.503 310 HB2 LYS 40 HB2 LYS 40 -3.060 9.340 -2.567 311 HB3 LYS 40 HB3 LYS 40 -3.962 10.784 -2.985 312 HG2 LYS 40 HG2 LYS 40 -2.470 10.412 -0.366 313 HG3 LYS 40 HG3 LYS 40 -1.744 11.134 -1.804 314 HD2 LYS 40 HD2 LYS 40 -3.375 12.966 -1.731 315 HD3 LYS 40 HD3 LYS 40 -4.197 12.212 -0.365 316 HE2 LYS 40 HE2 LYS 40 -2.036 12.444 0.932 317 HE3 LYS 40 HE3 LYS 40 -1.427 13.424 -0.406 318 HZ1 LYS 40 HZ1 LYS 40 -3.816 14.004 1.252 319 HZ2 LYS 40 HZ2 LYS 40 -3.297 14.926 -0.071 320 HZ3 LYS 40 HZ3 LYS 40 -2.328 14.812 1.307 321 H ASP 41 H ASP 41 -6.275 9.959 0.678 322 HA ASP 41 HA ASP 41 -7.995 11.230 1.422 323 HB2 ASP 41 HB2 ASP 41 -6.440 13.283 -0.206 324 HB3 ASP 41 HB3 ASP 41 -7.824 13.739 0.787 325 H GLY 42 H GLY 42 -8.458 9.809 -1.189 326 HA2 GLY 42 HA2 GLY 42 -10.889 9.730 -1.873 327 HA3 GLY 42 HA3 GLY 42 -10.697 11.420 -2.315 328 H GLN 43 H GLN 43 -8.201 11.347 -3.571 329 HA GLN 43 HA GLN 43 -9.104 10.523 -6.204 330 HB2 GLN 43 HB2 GLN 43 -6.457 11.791 -5.345 331 HB3 GLN 43 HB3 GLN 43 -7.016 11.618 -7.010 332 HG2 GLN 43 HG2 GLN 43 -8.952 13.096 -6.456 333 HG3 GLN 43 HG3 GLN 43 -8.272 13.338 -4.846 334 HE21 GLN 43 HE21 GLN 43 -8.808 15.299 -6.951 335 HE22 GLN 43 HE22 GLN 43 -7.303 16.080 -7.271 336 H GLU 44 H GLU 44 -8.431 8.750 -7.395 337 HA GLU 44 HA GLU 44 -6.946 6.658 -6.166 338 HB2 GLU 44 HB2 GLU 44 -8.723 6.276 -7.892 339 HB3 GLU 44 HB3 GLU 44 -7.643 6.927 -9.123 340 HG2 GLU 44 HG2 GLU 44 -6.068 5.091 -8.762 341 HG3 GLU 44 HG3 GLU 44 -7.029 4.485 -7.418 342 H VAL 45 H VAL 45 -4.841 6.341 -6.096 343 HA VAL 45 HA VAL 45 -2.975 8.262 -7.114 344 HB VAL 45 HB VAL 45 -2.443 5.662 -5.613 345 HG11 VAL 45 HG11 VAL 45 -0.428 6.443 -6.761 346 HG12 VAL 45 HG12 VAL 45 -0.258 6.651 -5.020 347 HG13 VAL 45 HG13 VAL 45 -0.609 8.045 -6.042 348 HG21 VAL 45 HG21 VAL 45 -2.726 8.475 -4.494 349 HG22 VAL 45 HG22 VAL 45 -2.275 7.037 -3.572 350 HG23 VAL 45 HG23 VAL 45 -3.882 7.156 -4.293 351 H GLU 46 H GLU 46 -1.811 8.134 -8.919 352 HA GLU 46 HA GLU 46 -1.128 5.569 -10.183 353 HB2 GLU 46 HB2 GLU 46 -3.216 6.674 -11.244 354 HB3 GLU 46 HB3 GLU 46 -2.144 7.954 -11.798 355 HG2 GLU 46 HG2 GLU 46 -0.861 6.282 -13.106 356 HG3 GLU 46 HG3 GLU 46 -1.961 5.020 -12.551 357 H GLU 47 H GLU 47 0.647 6.003 -11.923 358 HA GLU 47 HA GLU 47 2.781 7.507 -10.677 359 HB2 GLU 47 HB2 GLU 47 2.775 5.973 -13.304 360 HB3 GLU 47 HB3 GLU 47 4.203 6.521 -12.424 361 HG2 GLU 47 HG2 GLU 47 3.666 5.002 -10.573 362 HG3 GLU 47 HG3 GLU 47 2.191 4.494 -11.395 363 H SER 48 H SER 48 1.671 9.596 -10.905 364 HA SER 48 HA SER 48 1.274 10.867 -13.431 365 HB2 SER 48 HB2 SER 48 1.495 12.068 -10.639 366 HB3 SER 48 HB3 SER 48 0.919 12.929 -12.070 367 HG SER 48 HG SER 48 -0.533 11.525 -10.427 368 H ASP 49 H ASP 49 3.800 11.169 -10.946 369 HA ASP 49 HA ASP 49 5.834 11.910 -12.841 370 HB2 ASP 49 HB2 ASP 49 4.574 14.077 -12.533 371 HB3 ASP 49 HB3 ASP 49 4.934 14.015 -10.812 372 H PHE 50 H PHE 50 5.246 12.627 -9.396 373 HA PHE 50 HA PHE 50 7.895 11.759 -8.616 374 HB2 PHE 50 HB2 PHE 50 5.549 12.714 -6.916 375 HB3 PHE 50 HB3 PHE 50 7.194 12.483 -6.338 376 HD1 PHE 50 HD1 PHE 50 9.064 13.884 -7.464 377 HD2 PHE 50 HD2 PHE 50 4.907 14.830 -7.805 378 HE1 PHE 50 HE1 PHE 50 9.636 16.201 -8.069 379 HE2 PHE 50 HE2 PHE 50 5.490 17.145 -8.410 380 HZ PHE 50 HZ PHE 50 7.852 17.832 -8.538 381 H VAL 51 H VAL 51 4.577 10.634 -8.029 382 HA VAL 51 HA VAL 51 5.246 8.458 -6.322 383 HB VAL 51 HB VAL 51 2.694 8.714 -7.981 384 HG11 VAL 51 HG11 VAL 51 3.248 7.286 -5.348 385 HG12 VAL 51 HG12 VAL 51 2.994 6.521 -6.918 386 HG13 VAL 51 HG13 VAL 51 1.677 7.393 -6.142 387 HG21 VAL 51 HG21 VAL 51 3.230 9.953 -5.247 388 HG22 VAL 51 HG22 VAL 51 1.678 9.945 -6.084 389 HG23 VAL 51 HG23 VAL 51 3.042 10.836 -6.763 390 H VAL 52 H VAL 52 6.009 6.460 -6.862 391 HA VAL 52 HA VAL 52 5.377 5.326 -9.535 392 HB VAL 52 HB VAL 52 7.462 3.968 -9.408 393 HG11 VAL 52 HG11 VAL 52 9.060 5.777 -9.961 394 HG12 VAL 52 HG12 VAL 52 7.965 6.966 -9.252 395 HG13 VAL 52 HG13 VAL 52 7.477 6.066 -10.689 396 HG21 VAL 52 HG21 VAL 52 7.828 3.896 -6.977 397 HG22 VAL 52 HG22 VAL 52 8.150 5.631 -6.948 398 HG23 VAL 52 HG23 VAL 52 9.262 4.542 -7.781 399 H LEU 53 H LEU 53 4.486 3.316 -9.595 400 HA LEU 53 HA LEU 53 3.691 2.088 -7.007 401 HB2 LEU 53 HB2 LEU 53 2.247 2.013 -9.692 402 HB3 LEU 53 HB3 LEU 53 1.700 1.220 -8.221 403 HG LEU 53 HG LEU 53 1.929 4.235 -8.619 404 HD11 LEU 53 HD11 LEU 53 0.092 3.290 -9.926 405 HD12 LEU 53 HD12 LEU 53 -0.527 4.248 -8.584 406 HD13 LEU 53 HD13 LEU 53 -0.550 2.484 -8.491 407 HD21 LEU 53 HD21 LEU 53 2.348 3.636 -6.277 408 HD22 LEU 53 HD22 LEU 53 0.862 2.685 -6.226 409 HD23 LEU 53 HD23 LEU 53 0.785 4.435 -6.437 410 H GLU 54 H GLU 54 4.661 0.197 -6.600 411 HA GLU 54 HA GLU 54 5.735 -1.501 -8.743 412 HB2 GLU 54 HB2 GLU 54 5.982 -1.743 -5.706 413 HB3 GLU 54 HB3 GLU 54 6.801 -2.773 -6.881 414 HG2 GLU 54 HG2 GLU 54 7.941 -0.676 -7.747 415 HG3 GLU 54 HG3 GLU 54 7.268 0.177 -6.358 416 H ASN 55 H ASN 55 4.552 -3.153 -9.499 417 HA ASN 55 HA ASN 55 2.448 -4.426 -7.863 418 HB2 ASN 55 HB2 ASN 55 0.885 -4.253 -9.853 419 HB3 ASN 55 HB3 ASN 55 1.250 -2.719 -9.078 420 HD21 ASN 55 HD21 ASN 55 2.830 -1.327 -10.131 421 HD22 ASN 55 HD22 ASN 55 2.996 -1.385 -11.847 422 H GLU 56 H GLU 56 2.627 -6.580 -7.943 423 HA GLU 56 HA GLU 56 3.021 -8.025 -10.417 424 HB2 GLU 56 HB2 GLU 56 5.383 -7.573 -9.765 425 HB3 GLU 56 HB3 GLU 56 5.109 -8.344 -8.205 426 HG2 GLU 56 HG2 GLU 56 4.675 -10.489 -9.336 427 HG3 GLU 56 HG3 GLU 56 4.907 -9.723 -10.906 428 H GLY 57 H GLY 57 1.202 -9.191 -10.184 429 HA2 GLY 57 HA2 GLY 57 -0.314 -10.734 -9.463 430 HA3 GLY 57 HA3 GLY 57 0.979 -11.427 -8.505 431 HA PRO 58 HA PRO 58 -1.651 -10.015 -5.052 432 HB2 PRO 58 HB2 PRO 58 0.393 -11.187 -3.258 433 HB3 PRO 58 HB3 PRO 58 -1.293 -11.662 -3.492 434 HG2 PRO 58 HG2 PRO 58 0.761 -13.206 -4.355 435 HG3 PRO 58 HG3 PRO 58 -0.787 -13.125 -5.225 436 HD2 PRO 58 HD2 PRO 58 1.801 -11.682 -5.826 437 HD3 PRO 58 HD3 PRO 58 0.709 -12.545 -6.938 438 H HIS 59 H HIS 59 1.674 -9.205 -5.623 439 HA HIS 59 HA HIS 59 2.069 -7.608 -3.237 440 HB2 HIS 59 HB2 HIS 59 3.804 -8.211 -5.648 441 HB3 HIS 59 HB3 HIS 59 4.312 -7.109 -4.376 442 HD1 HIS 59 HD1 HIS 59 5.592 -8.137 -2.546 443 HD2 HIS 59 HD2 HIS 59 3.215 -10.933 -4.495 444 HE1 HIS 59 HE1 HIS 59 6.191 -10.347 -1.533 445 HE2 HIS 59 HE2 HIS 59 4.622 -11.995 -2.601 446 H ARG 60 H ARG 60 1.814 -5.486 -3.004 447 HA ARG 60 HA ARG 60 1.882 -3.585 -5.249 448 HB2 ARG 60 HB2 ARG 60 -0.440 -3.932 -3.318 449 HB3 ARG 60 HB3 ARG 60 -0.161 -2.404 -4.140 450 HG2 ARG 60 HG2 ARG 60 -0.594 -5.030 -5.587 451 HG3 ARG 60 HG3 ARG 60 -1.896 -3.902 -5.178 452 HD2 ARG 60 HD2 ARG 60 -0.828 -2.151 -6.525 453 HD3 ARG 60 HD3 ARG 60 0.524 -3.234 -6.886 454 HE ARG 60 HE ARG 60 -1.215 -4.707 -7.949 455 HH11 ARG 60 HH11 ARG 60 -1.745 -1.295 -7.803 456 HH12 ARG 60 HH12 ARG 60 -2.621 -1.265 -9.290 457 HH21 ARG 60 HH21 ARG 60 -2.298 -4.638 -9.850 458 HH22 ARG 60 HH22 ARG 60 -2.916 -3.134 -10.441 459 H ARG 61 H ARG 61 3.359 -2.068 -4.667 460 HA ARG 61 HA ARG 61 3.397 -1.001 -1.910 461 HB2 ARG 61 HB2 ARG 61 5.869 -1.739 -3.547 462 HB3 ARG 61 HB3 ARG 61 5.905 -0.850 -2.021 463 HG2 ARG 61 HG2 ARG 61 4.906 -2.790 -0.876 464 HG3 ARG 61 HG3 ARG 61 4.878 -3.679 -2.397 465 HD2 ARG 61 HD2 ARG 61 7.391 -3.462 -2.467 466 HD3 ARG 61 HD3 ARG 61 7.319 -2.770 -0.837 467 HE ARG 61 HE ARG 61 5.898 -5.148 -0.733 468 HH11 ARG 61 HH11 ARG 61 9.196 -4.281 -1.345 469 HH12 ARG 61 HH12 ARG 61 9.777 -5.837 -0.867 470 HH21 ARG 61 HH21 ARG 61 6.657 -7.098 -0.177 471 HH22 ARG 61 HH22 ARG 61 8.360 -7.410 -0.219 472 H LEU 62 H LEU 62 2.967 1.096 -1.967 473 HA LEU 62 HA LEU 62 3.529 2.808 -4.248 474 HB2 LEU 62 HB2 LEU 62 1.467 2.948 -2.751 475 HB3 LEU 62 HB3 LEU 62 2.494 3.592 -1.488 476 HG LEU 62 HG LEU 62 2.205 4.973 -4.192 477 HD11 LEU 62 HD11 LEU 62 0.494 5.477 -1.734 478 HD12 LEU 62 HD12 LEU 62 -0.043 4.751 -3.250 479 HD13 LEU 62 HD13 LEU 62 0.486 6.429 -3.225 480 HD21 LEU 62 HD21 LEU 62 4.115 5.747 -2.858 481 HD22 LEU 62 HD22 LEU 62 3.058 6.067 -1.483 482 HD23 LEU 62 HD23 LEU 62 2.888 7.008 -2.968 483 H VAL 63 H VAL 63 5.663 3.242 -4.526 484 HA VAL 63 HA VAL 63 7.373 3.932 -2.218 485 HB VAL 63 HB VAL 63 8.137 3.316 -5.112 486 HG11 VAL 63 HG11 VAL 63 9.753 4.904 -4.140 487 HG12 VAL 63 HG12 VAL 63 10.496 3.318 -4.340 488 HG13 VAL 63 HG13 VAL 63 9.976 3.851 -2.739 489 HG21 VAL 63 HG21 VAL 63 8.491 1.653 -2.584 490 HG22 VAL 63 HG22 VAL 63 9.084 1.219 -4.190 491 HG23 VAL 63 HG23 VAL 63 7.349 1.329 -3.895 492 H LEU 64 H LEU 64 8.003 5.953 -1.861 493 HA LEU 64 HA LEU 64 7.584 8.057 -3.905 494 HB2 LEU 64 HB2 LEU 64 6.246 7.846 -1.450 495 HB3 LEU 64 HB3 LEU 64 7.539 8.957 -1.065 496 HG LEU 64 HG LEU 64 5.578 10.226 -1.657 497 HD11 LEU 64 HD11 LEU 64 6.356 11.643 -3.462 498 HD12 LEU 64 HD12 LEU 64 7.499 10.405 -3.987 499 HD13 LEU 64 HD13 LEU 64 7.702 11.187 -2.419 500 HD21 LEU 64 HD21 LEU 64 5.500 8.706 -4.276 501 HD22 LEU 64 HD22 LEU 64 4.435 10.036 -3.813 502 HD23 LEU 64 HD23 LEU 64 4.382 8.518 -2.922 503 HA PRO 65 HA PRO 65 12.112 8.477 -3.255 504 HB2 PRO 65 HB2 PRO 65 12.420 10.681 -4.930 505 HB3 PRO 65 HB3 PRO 65 12.407 9.001 -5.481 506 HG2 PRO 65 HG2 PRO 65 10.152 11.007 -5.443 507 HG3 PRO 65 HG3 PRO 65 10.628 9.886 -6.739 508 HD2 PRO 65 HD2 PRO 65 8.552 9.324 -5.135 509 HD3 PRO 65 HD3 PRO 65 9.656 8.033 -5.664 510 H ALA 66 H ALA 66 10.034 11.448 -3.311 511 HA ALA 66 HA ALA 66 11.197 12.303 -0.733 512 HB1 ALA 66 HB1 ALA 66 11.593 14.591 -1.561 513 HB2 ALA 66 HB2 ALA 66 11.092 14.103 -3.184 514 HB3 ALA 66 HB3 ALA 66 12.550 13.416 -2.466 515 H THR 67 H THR 67 9.251 11.901 0.298 516 HA THR 67 HA THR 67 6.676 12.546 -0.683 517 HB THR 67 HB THR 67 7.525 11.960 2.187 518 HG1 THR 67 HG1 THR 67 6.370 10.196 0.276 519 HG21 THR 67 HG21 THR 67 4.761 11.790 0.914 520 HG22 THR 67 HG22 THR 67 5.260 12.974 2.125 521 HG23 THR 67 HG23 THR 67 5.176 11.264 2.548 522 H GLN 68 H GLN 68 5.723 14.440 -0.838 523 HA GLN 68 HA GLN 68 6.692 16.846 0.539 524 HB2 GLN 68 HB2 GLN 68 4.551 16.555 -1.620 525 HB3 GLN 68 HB3 GLN 68 5.313 18.056 -1.104 526 HG2 GLN 68 HG2 GLN 68 7.424 17.390 -2.076 527 HG3 GLN 68 HG3 GLN 68 6.820 15.769 -2.417 528 HE21 GLN 68 HE21 GLN 68 5.333 15.482 -4.146 529 HE22 GLN 68 HE22 GLN 68 5.140 16.672 -5.380 530 HA PRO 69 HA PRO 69 3.458 17.108 3.656 531 HB2 PRO 69 HB2 PRO 69 2.430 19.707 3.320 532 HB3 PRO 69 HB3 PRO 69 3.896 19.295 4.216 533 HG2 PRO 69 HG2 PRO 69 3.618 20.245 1.365 534 HG3 PRO 69 HG3 PRO 69 4.785 20.752 2.607 535 HD2 PRO 69 HD2 PRO 69 5.528 19.046 0.700 536 HD3 PRO 69 HD3 PRO 69 6.076 18.791 2.375 537 H SER 70 H SER 70 2.322 18.345 0.479 538 HA SER 70 HA SER 70 -0.466 17.594 1.015 539 HB2 SER 70 HB2 SER 70 -0.017 19.737 -0.141 540 HB3 SER 70 HB3 SER 70 0.763 18.874 -1.464 541 HG SER 70 HG SER 70 -1.879 18.227 -0.719 542 H ASP 71 H ASP 71 2.307 16.216 -0.481 543 HA ASP 71 HA ASP 71 1.030 14.417 -2.335 544 HB2 ASP 71 HB2 ASP 71 3.301 15.082 -2.765 545 HB3 ASP 71 HB3 ASP 71 3.819 14.645 -1.146 546 H GLY 72 H GLY 72 2.332 14.096 0.955 547 HA2 GLY 72 HA2 GLY 72 1.282 11.369 1.274 548 HA3 GLY 72 HA3 GLY 72 2.285 12.250 2.417 549 H GLY 73 H GLY 73 -0.099 10.827 3.064 550 HA2 GLY 73 HA2 GLY 73 -1.572 12.517 4.713 551 HA3 GLY 73 HA3 GLY 73 -2.434 12.475 3.173 552 H GLU 74 H GLU 74 -4.235 11.196 3.659 553 HA GLU 74 HA GLU 74 -3.771 8.622 5.044 554 HB2 GLU 74 HB2 GLU 74 -6.353 10.137 4.513 555 HB3 GLU 74 HB3 GLU 74 -6.270 8.550 5.279 556 HG2 GLU 74 HG2 GLU 74 -4.781 9.601 7.055 557 HG3 GLU 74 HG3 GLU 74 -5.163 11.169 6.343 558 H PHE 75 H PHE 75 -3.532 6.876 3.865 559 HA PHE 75 HA PHE 75 -4.481 6.756 1.078 560 HB2 PHE 75 HB2 PHE 75 -2.222 5.259 2.473 561 HB3 PHE 75 HB3 PHE 75 -2.713 4.975 0.805 562 HD1 PHE 75 HD2 PHE 75 -1.268 7.538 3.104 563 HD2 PHE 75 HD1 PHE 75 -1.949 6.408 -0.963 564 HE1 PHE 75 HE2 PHE 75 0.245 9.325 2.351 565 HE2 PHE 75 HE1 PHE 75 -0.435 8.202 -1.705 566 HZ PHE 75 HZ PHE 75 0.664 9.661 -0.053 567 H GLN 76 H GLN 76 -6.021 5.362 0.540 568 HA GLN 76 HA GLN 76 -6.758 3.094 2.301 569 HB2 GLN 76 HB2 GLN 76 -8.466 4.713 0.357 570 HB3 GLN 76 HB3 GLN 76 -9.018 3.237 1.148 571 HG2 GLN 76 HG2 GLN 76 -8.698 4.338 3.360 572 HG3 GLN 76 HG3 GLN 76 -8.228 5.821 2.529 573 HE21 GLN 76 HE21 GLN 76 -10.869 3.626 3.181 574 HE22 GLN 76 HE22 GLN 76 -12.140 4.714 2.761 575 H CYS 77 H CYS 77 -6.307 1.133 1.505 576 HA CYS 77 HA CYS 77 -5.665 0.784 -1.360 577 HB2 CYS 77 HB2 CYS 77 -4.900 -0.989 0.993 578 HB3 CYS 77 HB3 CYS 77 -4.262 -1.069 -0.652 579 HG CYS 77 HG CYS 77 -3.037 0.509 1.854 580 H VAL 78 H VAL 78 -7.671 0.301 -2.249 581 HA VAL 78 HA VAL 78 -9.427 -1.674 -0.966 582 HB VAL 78 HB VAL 78 -9.964 0.063 -3.423 583 HG11 VAL 78 HG11 VAL 78 -11.893 -1.610 -1.758 584 HG12 VAL 78 HG12 VAL 78 -11.373 -1.953 -3.408 585 HG13 VAL 78 HG13 VAL 78 -12.352 -0.524 -3.074 586 HG21 VAL 78 HG21 VAL 78 -9.629 1.461 -1.412 587 HG22 VAL 78 HG22 VAL 78 -10.821 0.510 -0.524 588 HG23 VAL 78 HG23 VAL 78 -11.323 1.489 -1.904 589 H ALA 79 H ALA 79 -8.655 -3.693 -1.393 590 HA ALA 79 HA ALA 79 -7.662 -4.656 -3.893 591 HB1 ALA 79 HB1 ALA 79 -7.912 -6.895 -2.894 592 HB2 ALA 79 HB2 ALA 79 -8.865 -6.212 -1.571 593 HB3 ALA 79 HB3 ALA 79 -7.165 -5.775 -1.756 594 H GLY 80 H GLY 80 -10.839 -4.391 -2.486 595 HA2 GLY 80 HA2 GLY 80 -12.496 -4.193 -4.569 596 HA3 GLY 80 HA3 GLY 80 -12.223 -5.934 -4.559 597 H ASP 81 H ASP 81 -13.024 -7.192 -2.858 598 HA ASP 81 HA ASP 81 -15.209 -6.273 -1.267 599 HB2 ASP 81 HB2 ASP 81 -14.964 -8.624 -2.012 600 HB3 ASP 81 HB3 ASP 81 -13.506 -8.794 -1.042 601 H GLU 82 H GLU 82 -11.763 -6.446 -0.773 602 HA GLU 82 HA GLU 82 -11.950 -5.833 2.127 603 HB2 GLU 82 HB2 GLU 82 -9.912 -7.342 0.461 604 HB3 GLU 82 HB3 GLU 82 -9.553 -6.796 2.094 605 HG2 GLU 82 HG2 GLU 82 -12.039 -8.421 1.670 606 HG3 GLU 82 HG3 GLU 82 -10.493 -9.240 1.574 607 H CYS 83 H CYS 83 -10.258 -4.477 3.044 608 HA CYS 83 HA CYS 83 -8.832 -2.627 1.282 609 HB2 CYS 83 HB2 CYS 83 -10.948 -1.667 3.250 610 HB3 CYS 83 HB3 CYS 83 -9.821 -0.619 2.392 611 HG CYS 83 HG CYS 83 -11.134 -2.182 -0.016 612 H ALA 84 H ALA 84 -6.871 -2.166 2.120 613 HA ALA 84 HA ALA 84 -6.317 -2.436 5.016 614 HB1 ALA 84 HB1 ALA 84 -4.398 -2.149 2.670 615 HB2 ALA 84 HB2 ALA 84 -4.818 -3.658 3.483 616 HB3 ALA 84 HB3 ALA 84 -3.937 -2.404 4.358 617 H TYR 85 H TYR 85 -5.457 -0.642 6.213 618 HA TYR 85 HA TYR 85 -5.947 2.016 4.970 619 HB2 TYR 85 HB2 TYR 85 -6.572 1.126 7.817 620 HB3 TYR 85 HB3 TYR 85 -6.755 2.773 7.218 621 HD1 TYR 85 HD2 TYR 85 -8.518 3.296 5.500 622 HD2 TYR 85 HD1 TYR 85 -8.242 -0.586 7.280 623 HE1 TYR 85 HE2 TYR 85 -10.790 2.773 4.718 624 HE2 TYR 85 HE1 TYR 85 -10.513 -1.103 6.483 625 HH TYR 85 HH TYR 85 -12.570 0.160 5.861 626 H PHE 86 H PHE 86 -4.350 3.410 4.991 627 HA PHE 86 HA PHE 86 -2.171 3.289 7.000 628 HB2 PHE 86 HB2 PHE 86 -2.066 3.809 4.011 629 HB3 PHE 86 HB3 PHE 86 -0.851 4.535 5.058 630 HD1 PHE 86 HD1 PHE 86 -2.315 1.234 4.067 631 HD2 PHE 86 HD2 PHE 86 1.012 3.288 5.779 632 HE1 PHE 86 HE1 PHE 86 -1.007 -0.843 4.053 633 HE2 PHE 86 HE2 PHE 86 2.313 1.205 5.751 634 HZ PHE 86 HZ PHE 86 1.304 -0.866 4.888 635 H THR 87 H THR 87 -2.166 5.020 8.306 636 HA THR 87 HA THR 87 -3.170 7.640 7.337 637 HB THR 87 HB THR 87 -2.751 6.805 10.251 638 HG1 THR 87 HG1 THR 87 -5.217 6.834 10.078 639 HG21 THR 87 HG21 THR 87 -4.197 8.740 10.763 640 HG22 THR 87 HG22 THR 87 -4.320 9.120 9.045 641 HG23 THR 87 HG23 THR 87 -2.764 9.260 9.868 642 H VAL 88 H VAL 88 -1.395 8.639 6.472 643 HA VAL 88 HA VAL 88 1.253 8.300 7.712 644 HB VAL 88 HB VAL 88 0.523 9.475 4.993 645 HG11 VAL 88 HG11 VAL 88 2.935 9.311 4.458 646 HG12 VAL 88 HG12 VAL 88 3.268 8.814 6.119 647 HG13 VAL 88 HG13 VAL 88 2.635 10.428 5.793 648 HG21 VAL 88 HG21 VAL 88 1.662 6.738 5.691 649 HG22 VAL 88 HG22 VAL 88 1.389 7.355 4.059 650 HG23 VAL 88 HG23 VAL 88 0.019 7.067 5.131 651 H THR 89 H THR 89 1.539 9.692 9.317 652 HA THR 89 HA THR 89 0.511 12.413 9.357 653 HB THR 89 HB THR 89 2.211 10.949 11.435 654 HG1 THR 89 HG1 THR 89 0.457 9.878 11.888 655 HG21 THR 89 HG21 THR 89 0.410 13.391 11.728 656 HG22 THR 89 HG22 THR 89 2.177 13.403 11.780 657 HG23 THR 89 HG23 THR 89 1.259 12.577 13.040 658 H ILE 90 H ILE 90 1.720 13.824 8.102 659 HA ILE 90 HA ILE 90 4.669 13.797 8.204 660 HB ILE 90 HB ILE 90 2.821 15.599 6.560 661 HG12 ILE 90 HG12 ILE 90 4.270 13.033 5.738 662 HG13 ILE 90 HG13 ILE 90 2.529 13.229 5.904 663 HG21 ILE 90 HG21 ILE 90 5.822 15.116 6.305 664 HG22 ILE 90 HG22 ILE 90 5.053 16.599 6.875 665 HG23 ILE 90 HG23 ILE 90 4.846 16.088 5.199 666 HD11 ILE 90 HD11 ILE 90 3.216 13.227 3.589 667 HD12 ILE 90 HD12 ILE 90 4.282 14.600 3.868 668 HD13 ILE 90 HD13 ILE 90 2.532 14.792 4.021 Start of MODEL 11 1 H HIS 1 H1 HIS 1 -16.960 -12.806 3.842 2 HA HIS 1 HA HIS 1 -14.756 -13.396 4.527 3 HB2 HIS 1 HB2 HIS 1 -15.596 -16.248 3.848 4 HB3 HIS 1 HB3 HIS 1 -13.946 -15.754 4.226 5 HD1 HIS 1 HD1 HIS 1 -15.871 -17.802 5.852 6 HD2 HIS 1 HD2 HIS 1 -14.826 -13.930 6.944 7 HE1 HIS 1 HE1 HIS 1 -16.175 -17.703 8.339 8 HE2 HIS 1 HE2 HIS 1 -15.741 -15.301 8.936 9 H MET 2 H MET 2 -13.554 -12.557 2.943 10 HA MET 2 HA MET 2 -14.480 -12.576 0.202 11 HB2 MET 2 HB2 MET 2 -12.002 -11.240 1.369 12 HB3 MET 2 HB3 MET 2 -12.733 -10.890 -0.194 13 HG2 MET 2 HG2 MET 2 -13.320 -9.126 1.294 14 HG3 MET 2 HG3 MET 2 -14.783 -10.091 1.060 15 HE1 MET 2 HE1 MET 2 -15.144 -8.956 4.801 16 HE2 MET 2 HE2 MET 2 -15.921 -9.017 3.217 17 HE3 MET 2 HE3 MET 2 -14.497 -8.004 3.466 18 HA PRO 3 HA PRO 3 -11.609 -15.925 -1.143 19 HB2 PRO 3 HB2 PRO 3 -12.358 -14.923 -3.864 20 HB3 PRO 3 HB3 PRO 3 -12.457 -16.561 -3.207 21 HG2 PRO 3 HG2 PRO 3 -14.675 -15.104 -3.577 22 HG3 PRO 3 HG3 PRO 3 -14.513 -16.158 -2.154 23 HD2 PRO 3 HD2 PRO 3 -14.154 -13.164 -2.351 24 HD3 PRO 3 HD3 PRO 3 -14.992 -14.118 -1.103 25 H VAL 4 H VAL 4 -11.656 -12.595 -2.193 26 HA VAL 4 HA VAL 4 -8.701 -12.561 -2.287 27 HB VAL 4 HB VAL 4 -9.544 -11.916 -4.460 28 HG11 VAL 4 HG11 VAL 4 -11.244 -9.775 -3.123 29 HG12 VAL 4 HG12 VAL 4 -11.841 -11.235 -3.914 30 HG13 VAL 4 HG13 VAL 4 -11.032 -9.989 -4.864 31 HG21 VAL 4 HG21 VAL 4 -7.576 -10.709 -3.660 32 HG22 VAL 4 HG22 VAL 4 -8.599 -9.466 -2.936 33 HG23 VAL 4 HG23 VAL 4 -8.558 -9.663 -4.688 34 H HIS 5 H HIS 5 -8.527 -12.381 -0.040 35 HA HIS 5 HA HIS 5 -9.508 -9.876 1.212 36 HB2 HIS 5 HB2 HIS 5 -10.183 -12.121 2.243 37 HB3 HIS 5 HB3 HIS 5 -8.493 -12.365 2.667 38 HD1 HIS 5 HD1 HIS 5 -7.548 -10.921 4.619 39 HD2 HIS 5 HD2 HIS 5 -11.555 -10.241 3.785 40 HE1 HIS 5 HE1 HIS 5 -8.405 -9.540 6.524 41 HE2 HIS 5 HE2 HIS 5 -10.802 -9.062 5.949 42 H ILE 6 H ILE 6 -8.046 -8.541 2.356 43 HA ILE 6 HA ILE 6 -5.285 -8.564 1.530 44 HB ILE 6 HB ILE 6 -6.876 -6.770 3.412 45 HG12 ILE 6 HG12 ILE 6 -6.235 -4.977 1.716 46 HG13 ILE 6 HG13 ILE 6 -5.529 -6.238 0.718 47 HG21 ILE 6 HG21 ILE 6 -3.901 -6.521 2.870 48 HG22 ILE 6 HG22 ILE 6 -4.662 -6.891 4.417 49 HG23 ILE 6 HG23 ILE 6 -4.895 -5.307 3.681 50 HD11 ILE 6 HD11 ILE 6 -7.690 -5.587 -0.101 51 HD12 ILE 6 HD12 ILE 6 -8.431 -5.937 1.459 52 HD13 ILE 6 HD13 ILE 6 -7.758 -7.249 0.486 53 H VAL 7 H VAL 7 -3.783 -9.918 2.414 54 HA VAL 7 HA VAL 7 -4.014 -10.919 5.166 55 HB VAL 7 HB VAL 7 -1.991 -12.293 4.656 56 HG11 VAL 7 HG11 VAL 7 -4.210 -12.578 2.598 57 HG12 VAL 7 HG12 VAL 7 -4.203 -13.247 4.229 58 HG13 VAL 7 HG13 VAL 7 -3.047 -13.834 3.033 59 HG21 VAL 7 HG21 VAL 7 -2.119 -11.081 1.860 60 HG22 VAL 7 HG22 VAL 7 -1.061 -12.403 2.363 61 HG23 VAL 7 HG23 VAL 7 -0.852 -10.795 3.056 62 H ASP 8 H ASP 8 -2.334 -8.451 3.448 63 HA ASP 8 HA ASP 8 -1.053 -7.469 5.874 64 HB2 ASP 8 HB2 ASP 8 0.669 -8.918 4.816 65 HB3 ASP 8 HB3 ASP 8 0.512 -8.024 3.306 66 HA PRO 9 HA PRO 9 -0.513 -5.595 6.774 67 HB2 PRO 9 HB2 PRO 9 -1.711 -3.362 7.771 68 HB3 PRO 9 HB3 PRO 9 -0.220 -3.286 6.818 69 HG2 PRO 9 HG2 PRO 9 -3.066 -2.834 5.916 70 HG3 PRO 9 HG3 PRO 9 -1.623 -1.848 5.590 71 HD2 PRO 9 HD2 PRO 9 -2.583 -3.647 3.782 72 HD3 PRO 9 HD3 PRO 9 -0.842 -3.304 3.934 73 H ARG 10 H ARG 10 -1.523 -6.294 8.644 74 HA ARG 10 HA ARG 10 -4.075 -7.611 8.325 75 HB2 ARG 10 HB2 ARG 10 -2.252 -7.470 10.773 76 HB3 ARG 10 HB3 ARG 10 -3.636 -8.539 10.593 77 HG2 ARG 10 HG2 ARG 10 -1.785 -9.929 10.174 78 HG3 ARG 10 HG3 ARG 10 -2.399 -9.549 8.567 79 HD2 ARG 10 HD2 ARG 10 0.051 -9.443 8.600 80 HD3 ARG 10 HD3 ARG 10 -0.622 -7.836 8.301 81 HE ARG 10 HE ARG 10 -0.134 -8.273 11.080 82 HH11 ARG 10 HH11 ARG 10 1.518 -7.368 8.150 83 HH12 ARG 10 HH12 ARG 10 2.801 -6.618 9.027 84 HH21 ARG 10 HH21 ARG 10 1.523 -7.327 12.123 85 HH22 ARG 10 HH22 ARG 10 2.816 -6.602 11.233 86 H GLU 11 H GLU 11 -2.943 -4.688 9.733 87 HA GLU 11 HA GLU 11 -5.635 -3.817 10.468 88 HB2 GLU 11 HB2 GLU 11 -4.892 -3.048 12.728 89 HB3 GLU 11 HB3 GLU 11 -4.813 -4.798 12.558 90 HG2 GLU 11 HG2 GLU 11 -2.358 -4.628 12.167 91 HG3 GLU 11 HG3 GLU 11 -2.456 -2.887 12.418 92 H HIS 12 H HIS 12 -5.122 -1.397 11.573 93 HA HIS 12 HA HIS 12 -4.345 0.335 9.503 94 HB2 HIS 12 HB2 HIS 12 -4.396 2.125 11.319 95 HB3 HIS 12 HB3 HIS 12 -5.844 1.131 11.214 96 HD1 HIS 12 HD1 HIS 12 -2.620 1.167 13.282 97 HD2 HIS 12 HD2 HIS 12 -6.643 0.181 13.647 98 HE1 HIS 12 HE1 HIS 12 -2.929 0.479 15.669 99 HE2 HIS 12 HE2 HIS 12 -5.372 -0.064 15.883 100 H VAL 13 H VAL 13 -2.453 1.442 8.998 101 HA VAL 13 HA VAL 13 -0.026 1.002 10.670 102 HB VAL 13 HB VAL 13 -0.136 1.184 7.620 103 HG11 VAL 13 HG11 VAL 13 2.281 0.765 9.430 104 HG12 VAL 13 HG12 VAL 13 1.934 2.214 8.482 105 HG13 VAL 13 HG13 VAL 13 2.295 0.693 7.665 106 HG21 VAL 13 HG21 VAL 13 -0.956 -0.985 8.450 107 HG22 VAL 13 HG22 VAL 13 0.519 -1.198 9.395 108 HG23 VAL 13 HG23 VAL 13 0.596 -1.175 7.631 109 H PHE 14 H PHE 14 0.196 2.914 11.723 110 HA PHE 14 HA PHE 14 -0.072 5.495 10.352 111 HB2 PHE 14 HB2 PHE 14 0.470 4.772 13.265 112 HB3 PHE 14 HB3 PHE 14 0.440 6.428 12.669 113 HD1 PHE 14 HD1 PHE 14 -1.698 3.349 12.908 114 HD2 PHE 14 HD2 PHE 14 -1.606 7.617 12.602 115 HE1 PHE 14 HE1 PHE 14 -4.131 3.434 13.261 116 HE2 PHE 14 HE2 PHE 14 -4.040 7.686 12.954 117 HZ PHE 14 HZ PHE 14 -5.303 5.600 13.283 118 H VAL 15 H VAL 15 1.634 6.211 9.224 119 HA VAL 15 HA VAL 15 4.413 5.526 9.975 120 HB VAL 15 HB VAL 15 3.318 6.676 7.361 121 HG11 VAL 15 HG11 VAL 15 5.538 6.142 6.393 122 HG12 VAL 15 HG12 VAL 15 6.108 5.638 7.986 123 HG13 VAL 15 HG13 VAL 15 5.668 7.322 7.700 124 HG21 VAL 15 HG21 VAL 15 3.694 4.419 6.400 125 HG22 VAL 15 HG22 VAL 15 2.515 4.375 7.714 126 HG23 VAL 15 HG23 VAL 15 4.166 3.823 7.995 127 H HIS 16 H HIS 16 5.737 7.107 10.817 128 HA HIS 16 HA HIS 16 4.938 9.964 10.642 129 HB2 HIS 16 HB2 HIS 16 7.064 8.704 12.434 130 HB3 HIS 16 HB3 HIS 16 6.468 10.361 12.513 131 HD1 HIS 16 HD1 HIS 16 6.118 7.290 14.212 132 HD2 HIS 16 HD2 HIS 16 3.428 10.226 13.029 133 HE1 HIS 16 HE1 HIS 16 4.092 6.956 15.642 134 HE2 HIS 16 HE2 HIS 16 2.427 8.628 14.800 135 H ALA 17 H ALA 17 5.787 10.869 8.841 136 HA ALA 17 HA ALA 17 8.510 10.112 7.902 137 HB1 ALA 17 HB1 ALA 17 6.110 11.033 6.285 138 HB2 ALA 17 HB2 ALA 17 6.693 9.372 6.415 139 HB3 ALA 17 HB3 ALA 17 7.694 10.597 5.633 140 H ILE 18 H ILE 18 9.698 11.811 6.754 141 HA ILE 18 HA ILE 18 8.908 14.610 7.380 142 HB ILE 18 HB ILE 18 11.760 13.712 6.758 143 HG12 ILE 18 HG12 ILE 18 11.074 12.511 8.827 144 HG13 ILE 18 HG13 ILE 18 12.301 13.720 9.172 145 HG21 ILE 18 HG21 ILE 18 11.341 16.113 6.464 146 HG22 ILE 18 HG22 ILE 18 12.430 15.835 7.823 147 HG23 ILE 18 HG23 ILE 18 10.734 16.228 8.120 148 HD11 ILE 18 HD11 ILE 18 10.615 13.656 10.902 149 HD12 ILE 18 HD12 ILE 18 9.344 13.983 9.725 150 HD13 ILE 18 HD13 ILE 18 10.568 15.210 10.070 151 H THR 19 H THR 19 9.607 16.168 5.639 152 HA THR 19 HA THR 19 8.305 15.662 3.246 153 HB THR 19 HB THR 19 9.361 17.801 2.419 154 HG1 THR 19 HG1 THR 19 11.069 18.596 3.406 155 HG21 THR 19 HG21 THR 19 7.341 17.903 3.841 156 HG22 THR 19 HG22 THR 19 8.416 19.265 4.158 157 HG23 THR 19 HG23 THR 19 8.357 17.910 5.287 158 H SER 20 H SER 20 11.816 15.286 3.839 159 HA SER 20 HA SER 20 12.253 14.666 0.959 160 HB2 SER 20 HB2 SER 20 13.585 16.553 2.017 161 HB3 SER 20 HB3 SER 20 14.377 15.358 3.039 162 HG SER 20 HG SER 20 14.687 14.396 0.666 163 H GLU 21 H GLU 21 11.313 12.834 3.300 164 HA GLU 21 HA GLU 21 13.340 10.732 3.385 165 HB2 GLU 21 HB2 GLU 21 10.531 10.974 4.525 166 HB3 GLU 21 HB3 GLU 21 11.464 9.485 4.656 167 HG2 GLU 21 HG2 GLU 21 12.337 12.178 5.744 168 HG3 GLU 21 HG3 GLU 21 11.553 10.914 6.691 169 H CYS 22 H CYS 22 12.868 8.496 2.793 170 HA CYS 22 HA CYS 22 11.171 8.172 0.380 171 HB2 CYS 22 HB2 CYS 22 13.431 6.394 1.397 172 HB3 CYS 22 HB3 CYS 22 12.560 6.201 -0.124 173 HG CYS 22 HG CYS 22 13.734 9.219 -0.136 174 H VAL 23 H VAL 23 9.150 7.494 1.011 175 HA VAL 23 HA VAL 23 8.864 5.462 3.168 176 HB VAL 23 HB VAL 23 6.883 7.549 2.130 177 HG11 VAL 23 HG11 VAL 23 5.607 5.502 2.662 178 HG12 VAL 23 HG12 VAL 23 5.290 6.746 3.873 179 HG13 VAL 23 HG13 VAL 23 6.378 5.407 4.247 180 HG21 VAL 23 HG21 VAL 23 8.617 8.434 3.647 181 HG22 VAL 23 HG22 VAL 23 8.203 7.216 4.856 182 HG23 VAL 23 HG23 VAL 23 7.032 8.464 4.426 183 H MET 24 H MET 24 7.968 3.502 2.724 184 HA MET 24 HA MET 24 6.678 3.031 0.090 185 HB2 MET 24 HB2 MET 24 8.944 2.038 0.123 186 HB3 MET 24 HB3 MET 24 8.558 1.160 1.595 187 HG2 MET 24 HG2 MET 24 6.863 -0.147 0.374 188 HG3 MET 24 HG3 MET 24 7.240 0.743 -1.102 189 HE1 MET 24 HE1 MET 24 10.947 -0.453 -1.802 190 HE2 MET 24 HE2 MET 24 10.462 0.984 -0.903 191 HE3 MET 24 HE3 MET 24 9.614 0.543 -2.386 192 H LEU 25 H LEU 25 4.559 2.969 0.669 193 HA LEU 25 HA LEU 25 3.534 1.623 3.010 194 HB2 LEU 25 HB2 LEU 25 2.085 2.668 0.543 195 HB3 LEU 25 HB3 LEU 25 1.312 2.167 2.043 196 HG LEU 25 HG LEU 25 3.176 4.556 1.709 197 HD11 LEU 25 HD11 LEU 25 1.189 5.935 2.117 198 HD12 LEU 25 HD12 LEU 25 0.178 4.488 2.163 199 HD13 LEU 25 HD13 LEU 25 1.003 4.945 0.670 200 HD21 LEU 25 HD21 LEU 25 1.686 3.636 4.195 201 HD22 LEU 25 HD22 LEU 25 2.615 5.129 4.035 202 HD23 LEU 25 HD23 LEU 25 3.433 3.575 3.942 203 H ALA 26 H ALA 26 3.828 -0.564 3.032 204 HA ALA 26 HA ALA 26 3.621 -2.183 0.599 205 HB1 ALA 26 HB1 ALA 26 4.455 -2.964 3.412 206 HB2 ALA 26 HB2 ALA 26 5.542 -2.497 2.103 207 HB3 ALA 26 HB3 ALA 26 4.588 -3.976 1.969 208 H CYS 27 H CYS 27 1.968 -3.498 0.146 209 HA CYS 27 HA CYS 27 0.045 -4.436 2.142 210 HB2 CYS 27 HB2 CYS 27 -0.966 -2.331 1.339 211 HB3 CYS 27 HB3 CYS 27 -0.785 -2.848 -0.335 212 HG CYS 27 HG CYS 27 -2.519 -5.073 1.405 213 H GLU 28 H GLU 28 0.093 -6.596 1.811 214 HA GLU 28 HA GLU 28 0.110 -7.680 -0.952 215 HB2 GLU 28 HB2 GLU 28 1.131 -8.905 1.643 216 HB3 GLU 28 HB3 GLU 28 1.019 -9.791 0.122 217 HG2 GLU 28 HG2 GLU 28 2.675 -8.402 -0.922 218 HG3 GLU 28 HG3 GLU 28 2.642 -7.247 0.413 219 H VAL 29 H VAL 29 -1.409 -9.126 -1.549 220 HA VAL 29 HA VAL 29 -3.714 -9.562 0.264 221 HB VAL 29 HB VAL 29 -5.071 -9.769 -1.851 222 HG11 VAL 29 HG11 VAL 29 -5.125 -7.339 -2.368 223 HG12 VAL 29 HG12 VAL 29 -3.598 -7.120 -1.508 224 HG13 VAL 29 HG13 VAL 29 -5.041 -7.634 -0.631 225 HG21 VAL 29 HG21 VAL 29 -4.081 -8.932 -3.986 226 HG22 VAL 29 HG22 VAL 29 -3.310 -10.414 -3.427 227 HG23 VAL 29 HG23 VAL 29 -2.496 -8.862 -3.210 228 H ASP 30 H ASP 30 -4.841 -11.567 0.092 229 HA ASP 30 HA ASP 30 -3.280 -13.889 0.169 230 HB2 ASP 30 HB2 ASP 30 -5.402 -13.617 1.398 231 HB3 ASP 30 HB3 ASP 30 -6.300 -13.573 -0.114 232 H ARG 31 H ARG 31 -5.108 -12.459 -2.474 233 HA ARG 31 HA ARG 31 -4.619 -14.821 -4.205 234 HB2 ARG 31 HB2 ARG 31 -7.038 -14.354 -3.433 235 HB3 ARG 31 HB3 ARG 31 -6.991 -12.921 -4.451 236 HG2 ARG 31 HG2 ARG 31 -6.647 -14.293 -6.434 237 HG3 ARG 31 HG3 ARG 31 -6.517 -15.746 -5.441 238 HD2 ARG 31 HD2 ARG 31 -8.905 -15.263 -4.664 239 HD3 ARG 31 HD3 ARG 31 -8.977 -14.062 -5.962 240 HE ARG 31 HE ARG 31 -8.092 -16.378 -7.149 241 HH11 ARG 31 HH11 ARG 31 -10.996 -15.413 -5.542 242 HH12 ARG 31 HH12 ARG 31 -11.922 -16.673 -6.271 243 HH21 ARG 31 HH21 ARG 31 -9.285 -17.972 -8.027 244 HH22 ARG 31 HH22 ARG 31 -10.968 -18.100 -7.658 245 H GLU 32 H GLU 32 -3.369 -14.413 -5.941 246 HA GLU 32 HA GLU 32 -2.289 -11.826 -6.497 247 HB2 GLU 32 HB2 GLU 32 -1.032 -12.914 -8.297 248 HB3 GLU 32 HB3 GLU 32 -0.996 -13.903 -6.842 249 HG2 GLU 32 HG2 GLU 32 -2.719 -15.389 -7.801 250 HG3 GLU 32 HG3 GLU 32 -2.774 -14.396 -9.256 251 H ASP 33 H ASP 33 -5.095 -13.424 -7.676 252 HA ASP 33 HA ASP 33 -5.523 -12.168 -10.170 253 HB2 ASP 33 HB2 ASP 33 -7.546 -13.175 -8.121 254 HB3 ASP 33 HB3 ASP 33 -7.906 -12.814 -9.808 255 H ALA 34 H ALA 34 -5.582 -10.824 -7.026 256 HA ALA 34 HA ALA 34 -7.671 -8.965 -7.024 257 HB1 ALA 34 HB1 ALA 34 -6.489 -7.889 -5.192 258 HB2 ALA 34 HB2 ALA 34 -4.977 -8.675 -5.658 259 HB3 ALA 34 HB3 ALA 34 -6.318 -9.642 -5.045 260 HA PRO 35 HA PRO 35 -5.712 -5.588 -9.436 261 HB2 PRO 35 HB2 PRO 35 -8.053 -4.609 -10.515 262 HB3 PRO 35 HB3 PRO 35 -7.139 -5.934 -11.235 263 HG2 PRO 35 HG2 PRO 35 -9.760 -6.033 -9.949 264 HG3 PRO 35 HG3 PRO 35 -8.920 -7.308 -10.846 265 HD2 PRO 35 HD2 PRO 35 -9.091 -6.884 -7.916 266 HD3 PRO 35 HD3 PRO 35 -8.650 -8.352 -8.818 267 H VAL 36 H VAL 36 -5.165 -4.621 -7.358 268 HA VAL 36 HA VAL 36 -7.206 -3.610 -5.606 269 HB VAL 36 HB VAL 36 -5.533 -2.994 -4.041 270 HG11 VAL 36 HG11 VAL 36 -5.774 -5.422 -4.269 271 HG12 VAL 36 HG12 VAL 36 -4.117 -5.010 -3.827 272 HG13 VAL 36 HG13 VAL 36 -4.499 -5.462 -5.490 273 HG21 VAL 36 HG21 VAL 36 -3.106 -2.812 -4.552 274 HG22 VAL 36 HG22 VAL 36 -4.064 -1.645 -5.460 275 HG23 VAL 36 HG23 VAL 36 -3.455 -3.093 -6.261 276 H ARG 37 H ARG 37 -7.432 -1.449 -4.857 277 HA ARG 37 HA ARG 37 -6.861 0.659 -6.869 278 HB2 ARG 37 HB2 ARG 37 -9.263 0.399 -5.004 279 HB3 ARG 37 HB3 ARG 37 -8.992 1.704 -6.153 280 HG2 ARG 37 HG2 ARG 37 -9.436 -1.214 -6.887 281 HG3 ARG 37 HG3 ARG 37 -10.663 0.058 -6.951 282 HD2 ARG 37 HD2 ARG 37 -8.082 0.036 -8.569 283 HD3 ARG 37 HD3 ARG 37 -9.664 -0.448 -9.181 284 HE ARG 37 HE ARG 37 -10.342 1.933 -8.573 285 HH11 ARG 37 HH11 ARG 37 -7.102 1.208 -9.601 286 HH12 ARG 37 HH12 ARG 37 -6.905 2.750 -10.356 287 HH21 ARG 37 HH21 ARG 37 -10.026 3.874 -9.521 288 HH22 ARG 37 HH22 ARG 37 -8.509 4.240 -10.261 289 H TRP 38 H TRP 38 -5.142 1.739 -6.011 290 HA TRP 38 HA TRP 38 -4.903 2.353 -3.166 291 HB2 TRP 38 HB2 TRP 38 -3.165 2.975 -5.595 292 HB3 TRP 38 HB3 TRP 38 -2.830 3.675 -4.019 293 HD1 TRP 38 HD1 TRP 38 -2.520 0.393 -5.956 294 HE1 TRP 38 HE1 TRP 38 -1.034 -1.204 -4.594 295 HE3 TRP 38 HE3 TRP 38 -2.204 3.076 -1.604 296 HZ2 TRP 38 HZ2 TRP 38 0.111 -1.324 -2.012 297 HZ3 TRP 38 HZ3 TRP 38 -0.892 2.155 0.266 298 HH2 TRP 38 HH2 TRP 38 0.245 -0.001 0.064 299 H TYR 39 H TYR 39 -5.737 4.184 -2.263 300 HA TYR 39 HA TYR 39 -6.491 6.477 -3.998 301 HB2 TYR 39 HB2 TYR 39 -7.784 5.576 -1.385 302 HB3 TYR 39 HB3 TYR 39 -8.261 6.992 -2.320 303 HD1 TYR 39 HD2 TYR 39 -8.984 6.546 -4.817 304 HD2 TYR 39 HD1 TYR 39 -8.878 3.520 -1.801 305 HE1 TYR 39 HE2 TYR 39 -10.516 5.164 -6.149 306 HE2 TYR 39 HE1 TYR 39 -10.404 2.141 -3.138 307 HH TYR 39 HH TYR 39 -11.110 2.800 -6.400 308 H LYS 40 H LYS 40 -5.730 8.457 -3.514 309 HA LYS 40 HA LYS 40 -4.183 8.871 -1.012 310 HB2 LYS 40 HB2 LYS 40 -2.882 8.869 -3.209 311 HB3 LYS 40 HB3 LYS 40 -3.788 10.290 -3.691 312 HG2 LYS 40 HG2 LYS 40 -2.038 10.199 -1.218 313 HG3 LYS 40 HG3 LYS 40 -1.431 10.646 -2.804 314 HD2 LYS 40 HD2 LYS 40 -3.134 12.529 -2.823 315 HD3 LYS 40 HD3 LYS 40 -3.509 12.117 -1.147 316 HE2 LYS 40 HE2 LYS 40 -1.940 13.981 -1.240 317 HE3 LYS 40 HE3 LYS 40 -1.171 12.567 -0.519 318 HZ1 LYS 40 HZ1 LYS 40 -0.837 13.500 -3.320 319 HZ2 LYS 40 HZ2 LYS 40 -0.115 12.116 -2.665 320 HZ3 LYS 40 HZ3 LYS 40 0.301 13.645 -2.077 321 H ASP 41 H ASP 41 -5.851 9.612 0.183 322 HA ASP 41 HA ASP 41 -7.554 10.844 1.013 323 HB2 ASP 41 HB2 ASP 41 -5.912 13.008 -0.353 324 HB3 ASP 41 HB3 ASP 41 -7.171 13.337 0.835 325 H GLY 42 H GLY 42 -8.072 9.808 -1.823 326 HA2 GLY 42 HA2 GLY 42 -10.639 10.025 -2.154 327 HA3 GLY 42 HA3 GLY 42 -10.245 11.670 -2.615 328 H GLN 43 H GLN 43 -8.403 11.719 -4.407 329 HA GLN 43 HA GLN 43 -9.867 10.626 -6.697 330 HB2 GLN 43 HB2 GLN 43 -7.724 12.771 -6.446 331 HB3 GLN 43 HB3 GLN 43 -8.407 12.283 -7.992 332 HG2 GLN 43 HG2 GLN 43 -10.611 13.057 -7.308 333 HG3 GLN 43 HG3 GLN 43 -10.001 13.462 -5.704 334 HE21 GLN 43 HE21 GLN 43 -11.243 15.182 -7.768 335 HE22 GLN 43 HE22 GLN 43 -10.119 16.459 -8.040 336 H GLU 44 H GLU 44 -8.512 8.514 -5.665 337 HA GLU 44 HA GLU 44 -6.908 6.921 -5.812 338 HB2 GLU 44 HB2 GLU 44 -7.754 7.180 -8.314 339 HB3 GLU 44 HB3 GLU 44 -6.171 7.884 -8.601 340 HG2 GLU 44 HG2 GLU 44 -5.152 5.760 -7.708 341 HG3 GLU 44 HG3 GLU 44 -6.770 5.073 -7.622 342 H VAL 45 H VAL 45 -4.271 6.866 -6.895 343 HA VAL 45 HA VAL 45 -2.964 9.037 -5.382 344 HB VAL 45 HB VAL 45 -1.703 6.477 -6.431 345 HG11 VAL 45 HG11 VAL 45 0.092 6.962 -4.791 346 HG12 VAL 45 HG12 VAL 45 -0.713 8.475 -4.358 347 HG13 VAL 45 HG13 VAL 45 -0.062 8.253 -5.985 348 HG21 VAL 45 HG21 VAL 45 -2.794 7.040 -3.646 349 HG22 VAL 45 HG22 VAL 45 -1.918 5.587 -4.140 350 HG23 VAL 45 HG23 VAL 45 -3.500 5.941 -4.833 351 H GLU 46 H GLU 46 -3.004 7.532 -8.543 352 HA GLU 46 HA GLU 46 -2.132 7.928 -10.569 353 HB2 GLU 46 HB2 GLU 46 -1.863 10.798 -9.595 354 HB3 GLU 46 HB3 GLU 46 -1.603 10.286 -11.261 355 HG2 GLU 46 HG2 GLU 46 -3.982 9.457 -11.298 356 HG3 GLU 46 HG3 GLU 46 -4.207 10.180 -9.705 357 H GLU 47 H GLU 47 -0.183 8.204 -11.797 358 HA GLU 47 HA GLU 47 2.265 7.833 -10.198 359 HB2 GLU 47 HB2 GLU 47 1.693 7.165 -13.113 360 HB3 GLU 47 HB3 GLU 47 3.154 6.728 -12.229 361 HG2 GLU 47 HG2 GLU 47 1.758 5.354 -10.675 362 HG3 GLU 47 HG3 GLU 47 0.339 5.739 -11.645 363 H SER 48 H SER 48 1.447 10.430 -10.337 364 HA SER 48 HA SER 48 3.481 11.785 -12.043 365 HB2 SER 48 HB2 SER 48 1.988 13.793 -11.943 366 HB3 SER 48 HB3 SER 48 1.176 12.418 -12.692 367 HG SER 48 HG SER 48 0.857 13.376 -10.032 368 H ASP 49 H ASP 49 4.012 14.064 -10.959 369 HA ASP 49 HA ASP 49 5.080 15.230 -9.330 370 HB2 ASP 49 HB2 ASP 49 2.974 13.944 -7.539 371 HB3 ASP 49 HB3 ASP 49 3.959 15.336 -7.089 372 H PHE 50 H PHE 50 6.226 12.734 -9.973 373 HA PHE 50 HA PHE 50 7.987 11.425 -9.492 374 HB2 PHE 50 HB2 PHE 50 8.151 12.963 -6.869 375 HB3 PHE 50 HB3 PHE 50 9.344 11.778 -7.389 376 HD1 PHE 50 HD1 PHE 50 10.778 12.237 -9.394 377 HD2 PHE 50 HD2 PHE 50 8.145 15.210 -7.810 378 HE1 PHE 50 HE1 PHE 50 11.965 13.977 -10.663 379 HE2 PHE 50 HE2 PHE 50 9.341 16.942 -9.084 380 HZ PHE 50 HZ PHE 50 11.250 16.327 -10.514 381 H VAL 51 H VAL 51 5.089 11.166 -7.940 382 HA VAL 51 HA VAL 51 5.602 9.047 -6.066 383 HB VAL 51 HB VAL 51 2.949 9.866 -7.353 384 HG11 VAL 51 HG11 VAL 51 1.904 8.812 -5.362 385 HG12 VAL 51 HG12 VAL 51 3.493 8.275 -4.819 386 HG13 VAL 51 HG13 VAL 51 2.818 7.646 -6.322 387 HG21 VAL 51 HG21 VAL 51 4.163 10.854 -4.740 388 HG22 VAL 51 HG22 VAL 51 2.557 11.258 -5.345 389 HG23 VAL 51 HG23 VAL 51 3.990 11.800 -6.221 390 H VAL 52 H VAL 52 5.795 6.888 -6.514 391 HA VAL 52 HA VAL 52 5.014 5.896 -9.206 392 HB VAL 52 HB VAL 52 6.889 4.241 -9.050 393 HG11 VAL 52 HG11 VAL 52 8.721 5.828 -9.583 394 HG12 VAL 52 HG12 VAL 52 7.764 7.153 -8.915 395 HG13 VAL 52 HG13 VAL 52 7.201 6.295 -10.350 396 HG21 VAL 52 HG21 VAL 52 7.220 4.165 -6.614 397 HG22 VAL 52 HG22 VAL 52 7.785 5.836 -6.615 398 HG23 VAL 52 HG23 VAL 52 8.732 4.583 -7.424 399 H LEU 53 H LEU 53 3.643 4.226 -9.292 400 HA LEU 53 HA LEU 53 2.884 2.784 -6.817 401 HB2 LEU 53 HB2 LEU 53 1.431 3.080 -9.479 402 HB3 LEU 53 HB3 LEU 53 0.838 2.113 -8.137 403 HG LEU 53 HG LEU 53 1.242 5.134 -8.072 404 HD11 LEU 53 HD11 LEU 53 -1.207 5.309 -8.052 405 HD12 LEU 53 HD12 LEU 53 -1.347 3.560 -8.249 406 HD13 LEU 53 HD13 LEU 53 -0.628 4.540 -9.529 407 HD21 LEU 53 HD21 LEU 53 1.582 4.134 -5.862 408 HD22 LEU 53 HD22 LEU 53 0.033 3.294 -5.976 409 HD23 LEU 53 HD23 LEU 53 0.081 5.056 -5.899 410 H GLU 54 H GLU 54 4.162 1.001 -6.618 411 HA GLU 54 HA GLU 54 4.977 -0.550 -8.995 412 HB2 GLU 54 HB2 GLU 54 6.011 -0.799 -6.138 413 HB3 GLU 54 HB3 GLU 54 6.696 -1.545 -7.580 414 HG2 GLU 54 HG2 GLU 54 7.066 0.863 -8.426 415 HG3 GLU 54 HG3 GLU 54 6.732 1.370 -6.770 416 H ASN 55 H ASN 55 3.888 -2.346 -9.486 417 HA ASN 55 HA ASN 55 2.430 -3.873 -7.400 418 HB2 ASN 55 HB2 ASN 55 1.320 -3.206 -10.174 419 HB3 ASN 55 HB3 ASN 55 0.485 -4.064 -8.877 420 HD21 ASN 55 HD21 ASN 55 1.570 -0.938 -10.003 421 HD22 ASN 55 HD22 ASN 55 0.627 -0.003 -8.901 422 H GLU 56 H GLU 56 2.644 -6.077 -7.576 423 HA GLU 56 HA GLU 56 3.471 -7.409 -10.029 424 HB2 GLU 56 HB2 GLU 56 5.659 -6.734 -9.089 425 HB3 GLU 56 HB3 GLU 56 5.243 -7.448 -7.536 426 HG2 GLU 56 HG2 GLU 56 5.172 -9.698 -8.629 427 HG3 GLU 56 HG3 GLU 56 5.678 -8.950 -10.144 428 H GLY 57 H GLY 57 1.636 -8.664 -9.978 429 HA2 GLY 57 HA2 GLY 57 0.190 -10.348 -9.444 430 HA3 GLY 57 HA3 GLY 57 1.494 -11.034 -8.491 431 HA PRO 58 HA PRO 58 -1.321 -9.920 -5.049 432 HB2 PRO 58 HB2 PRO 58 -0.216 -11.417 -3.105 433 HB3 PRO 58 HB3 PRO 58 -1.083 -12.169 -4.454 434 HG2 PRO 58 HG2 PRO 58 1.890 -11.847 -4.055 435 HG3 PRO 58 HG3 PRO 58 0.988 -13.271 -4.615 436 HD2 PRO 58 HD2 PRO 58 2.269 -11.470 -6.305 437 HD3 PRO 58 HD3 PRO 58 0.905 -12.502 -6.796 438 H HIS 59 H HIS 59 1.996 -9.083 -5.402 439 HA HIS 59 HA HIS 59 2.268 -7.693 -2.825 440 HB2 HIS 59 HB2 HIS 59 4.239 -7.766 -5.151 441 HB3 HIS 59 HB3 HIS 59 4.572 -7.236 -3.506 442 HD1 HIS 59 HD1 HIS 59 5.368 -9.009 -1.895 443 HD2 HIS 59 HD2 HIS 59 3.795 -10.608 -5.374 444 HE1 HIS 59 HE1 HIS 59 5.976 -11.435 -1.849 445 HE2 HIS 59 HE2 HIS 59 5.204 -12.332 -4.062 446 H ARG 60 H ARG 60 1.576 -5.630 -2.625 447 HA ARG 60 HA ARG 60 1.573 -3.786 -4.959 448 HB2 ARG 60 HB2 ARG 60 -0.540 -3.993 -2.760 449 HB3 ARG 60 HB3 ARG 60 -0.552 -2.834 -4.089 450 HG2 ARG 60 HG2 ARG 60 -0.809 -5.855 -4.371 451 HG3 ARG 60 HG3 ARG 60 -2.135 -4.692 -4.448 452 HD2 ARG 60 HD2 ARG 60 -0.861 -3.601 -6.393 453 HD3 ARG 60 HD3 ARG 60 0.151 -5.044 -6.404 454 HE ARG 60 HE ARG 60 -2.006 -6.300 -6.798 455 HH11 ARG 60 HH11 ARG 60 -1.717 -2.993 -7.788 456 HH12 ARG 60 HH12 ARG 60 -2.764 -3.203 -9.143 457 HH21 ARG 60 HH21 ARG 60 -3.351 -6.519 -8.569 458 HH22 ARG 60 HH22 ARG 60 -3.668 -5.149 -9.576 459 H ARG 61 H ARG 61 2.761 -1.946 -4.534 460 HA ARG 61 HA ARG 61 2.905 -0.913 -1.795 461 HB2 ARG 61 HB2 ARG 61 5.440 -0.597 -2.025 462 HB3 ARG 61 HB3 ARG 61 4.856 -2.222 -1.693 463 HG2 ARG 61 HG2 ARG 61 5.179 -2.845 -4.048 464 HG3 ARG 61 HG3 ARG 61 5.721 -1.206 -4.421 465 HD2 ARG 61 HD2 ARG 61 7.586 -2.888 -4.124 466 HD3 ARG 61 HD3 ARG 61 7.703 -1.469 -3.083 467 HE ARG 61 HE ARG 61 7.241 -2.780 -1.221 468 HH11 ARG 61 HH11 ARG 61 7.075 -4.788 -4.051 469 HH12 ARG 61 HH12 ARG 61 7.110 -6.246 -3.131 470 HH21 ARG 61 HH21 ARG 61 7.254 -4.657 -0.089 471 HH22 ARG 61 HH22 ARG 61 7.216 -6.172 -0.918 472 H LEU 62 H LEU 62 2.440 1.113 -1.784 473 HA LEU 62 HA LEU 62 2.812 2.939 -4.018 474 HB2 LEU 62 HB2 LEU 62 0.820 2.890 -2.447 475 HB3 LEU 62 HB3 LEU 62 1.858 3.484 -1.173 476 HG LEU 62 HG LEU 62 1.311 5.059 -3.729 477 HD11 LEU 62 HD11 LEU 62 -0.150 5.271 -1.076 478 HD12 LEU 62 HD12 LEU 62 -0.817 4.650 -2.589 479 HD13 LEU 62 HD13 LEU 62 -0.355 6.344 -2.466 480 HD21 LEU 62 HD21 LEU 62 2.005 7.019 -2.406 481 HD22 LEU 62 HD22 LEU 62 3.298 5.830 -2.513 482 HD23 LEU 62 HD23 LEU 62 2.358 5.973 -1.025 483 H VAL 63 H VAL 63 4.846 3.682 -4.355 484 HA VAL 63 HA VAL 63 6.670 4.011 -2.043 485 HB VAL 63 HB VAL 63 7.413 3.531 -4.956 486 HG11 VAL 63 HG11 VAL 63 9.701 3.103 -4.109 487 HG12 VAL 63 HG12 VAL 63 9.181 3.538 -2.478 488 HG13 VAL 63 HG13 VAL 63 9.178 4.752 -3.759 489 HG21 VAL 63 HG21 VAL 63 7.408 1.551 -2.645 490 HG22 VAL 63 HG22 VAL 63 8.025 1.236 -4.267 491 HG23 VAL 63 HG23 VAL 63 6.306 1.544 -4.025 492 H LEU 64 H LEU 64 7.496 5.915 -1.603 493 HA LEU 64 HA LEU 64 7.345 8.173 -3.482 494 HB2 LEU 64 HB2 LEU 64 6.527 7.958 -0.655 495 HB3 LEU 64 HB3 LEU 64 7.632 9.291 -0.903 496 HG LEU 64 HG LEU 64 5.369 10.116 -1.049 497 HD11 LEU 64 HD11 LEU 64 7.019 11.144 -2.541 498 HD12 LEU 64 HD12 LEU 64 5.396 11.208 -3.218 499 HD13 LEU 64 HD13 LEU 64 6.564 10.031 -3.834 500 HD21 LEU 64 HD21 LEU 64 4.881 8.090 -3.248 501 HD22 LEU 64 HD22 LEU 64 3.756 9.348 -2.721 502 HD23 LEU 64 HD23 LEU 64 4.207 8.054 -1.615 503 HA PRO 65 HA PRO 65 11.932 8.029 -3.011 504 HB2 PRO 65 HB2 PRO 65 12.374 10.075 -4.834 505 HB3 PRO 65 HB3 PRO 65 12.178 8.378 -5.282 506 HG2 PRO 65 HG2 PRO 65 10.138 10.594 -5.321 507 HG3 PRO 65 HG3 PRO 65 10.458 9.349 -6.548 508 HD2 PRO 65 HD2 PRO 65 8.392 9.125 -4.829 509 HD3 PRO 65 HD3 PRO 65 9.313 7.692 -5.348 510 H ALA 66 H ALA 66 10.082 11.096 -3.280 511 HA ALA 66 HA ALA 66 11.212 12.008 -0.690 512 HB1 ALA 66 HB1 ALA 66 11.114 14.340 -1.509 513 HB2 ALA 66 HB2 ALA 66 10.580 13.776 -3.095 514 HB3 ALA 66 HB3 ALA 66 12.194 13.370 -2.511 515 H THR 67 H THR 67 9.571 11.953 0.759 516 HA THR 67 HA THR 67 6.973 11.155 0.065 517 HB THR 67 HB THR 67 7.723 12.355 2.764 518 HG1 THR 67 HG1 THR 67 9.230 10.808 2.473 519 HG21 THR 67 HG21 THR 67 6.061 10.734 3.648 520 HG22 THR 67 HG22 THR 67 5.698 10.206 2.005 521 HG23 THR 67 HG23 THR 67 5.305 11.852 2.508 522 H GLN 68 H GLN 68 8.151 14.362 0.987 523 HA GLN 68 HA GLN 68 7.409 16.476 0.647 524 HB2 GLN 68 HB2 GLN 68 5.358 15.123 -1.163 525 HB3 GLN 68 HB3 GLN 68 5.620 16.861 -1.091 526 HG2 GLN 68 HG2 GLN 68 7.724 16.722 -2.139 527 HG3 GLN 68 HG3 GLN 68 7.902 15.012 -1.771 528 HE21 GLN 68 HE21 GLN 68 5.295 14.178 -2.732 529 HE22 GLN 68 HE22 GLN 68 5.346 14.311 -4.452 530 HA PRO 69 HA PRO 69 3.758 17.220 3.384 531 HB2 PRO 69 HB2 PRO 69 2.861 19.669 2.467 532 HB3 PRO 69 HB3 PRO 69 4.251 19.486 3.543 533 HG2 PRO 69 HG2 PRO 69 4.214 19.833 0.547 534 HG3 PRO 69 HG3 PRO 69 5.250 20.629 1.752 535 HD2 PRO 69 HD2 PRO 69 6.149 18.537 0.289 536 HD3 PRO 69 HD3 PRO 69 6.644 18.759 1.982 537 H SER 70 H SER 70 3.661 17.256 -0.098 538 HA SER 70 HA SER 70 1.000 17.070 -0.782 539 HB2 SER 70 HB2 SER 70 2.642 17.093 -2.530 540 HB3 SER 70 HB3 SER 70 3.449 15.660 -1.896 541 HG SER 70 HG SER 70 2.237 14.560 -3.187 542 H ASP 71 H ASP 71 3.089 14.204 -0.025 543 HA ASP 71 HA ASP 71 0.697 12.481 -0.053 544 HB2 ASP 71 HB2 ASP 71 3.655 11.759 -0.082 545 HB3 ASP 71 HB3 ASP 71 2.324 10.611 -0.247 546 H GLY 72 H GLY 72 1.496 14.239 2.293 547 HA2 GLY 72 HA2 GLY 72 1.650 12.240 4.462 548 HA3 GLY 72 HA3 GLY 72 1.743 13.988 4.636 549 H GLY 73 H GLY 73 -0.454 11.289 3.996 550 HA2 GLY 73 HA2 GLY 73 -2.612 12.560 5.455 551 HA3 GLY 73 HA3 GLY 73 -2.901 12.464 3.723 552 H GLU 74 H GLU 74 -4.582 11.035 3.767 553 HA GLU 74 HA GLU 74 -4.284 8.443 5.173 554 HB2 GLU 74 HB2 GLU 74 -6.796 9.979 4.380 555 HB3 GLU 74 HB3 GLU 74 -6.796 8.390 5.148 556 HG2 GLU 74 HG2 GLU 74 -5.806 9.285 7.165 557 HG3 GLU 74 HG3 GLU 74 -5.536 10.850 6.404 558 H PHE 75 H PHE 75 -4.471 6.574 4.081 559 HA PHE 75 HA PHE 75 -4.911 6.588 1.152 560 HB2 PHE 75 HB2 PHE 75 -2.730 5.086 2.679 561 HB3 PHE 75 HB3 PHE 75 -3.015 4.980 0.946 562 HD1 PHE 75 HD2 PHE 75 -1.731 7.159 3.667 563 HD2 PHE 75 HD1 PHE 75 -2.265 6.742 -0.556 564 HE1 PHE 75 HE2 PHE 75 -0.197 9.045 3.278 565 HE2 PHE 75 HE1 PHE 75 -0.724 8.618 -0.925 566 HZ PHE 75 HZ PHE 75 0.309 9.773 0.981 567 H GLN 76 H GLN 76 -5.793 4.678 0.262 568 HA GLN 76 HA GLN 76 -6.707 2.530 2.078 569 HB2 GLN 76 HB2 GLN 76 -8.531 4.209 1.919 570 HB3 GLN 76 HB3 GLN 76 -8.523 4.064 0.163 571 HG2 GLN 76 HG2 GLN 76 -9.207 1.673 0.394 572 HG3 GLN 76 HG3 GLN 76 -9.265 1.884 2.143 573 HE21 GLN 76 HE21 GLN 76 -10.778 2.734 -0.888 574 HE22 GLN 76 HE22 GLN 76 -12.270 3.274 -0.218 575 H CYS 77 H CYS 77 -6.789 0.487 1.140 576 HA CYS 77 HA CYS 77 -6.039 0.227 -1.737 577 HB2 CYS 77 HB2 CYS 77 -5.185 -1.656 0.504 578 HB3 CYS 77 HB3 CYS 77 -4.607 -1.640 -1.163 579 HG CYS 77 HG CYS 77 -2.565 -0.724 0.437 580 H VAL 78 H VAL 78 -8.076 -0.318 -2.594 581 HA VAL 78 HA VAL 78 -9.709 -2.401 -1.284 582 HB VAL 78 HB VAL 78 -10.387 -0.635 -3.689 583 HG11 VAL 78 HG11 VAL 78 -11.651 -2.747 -3.763 584 HG12 VAL 78 HG12 VAL 78 -12.727 -1.410 -3.360 585 HG13 VAL 78 HG13 VAL 78 -12.186 -2.517 -2.096 586 HG21 VAL 78 HG21 VAL 78 -10.155 0.672 -1.599 587 HG22 VAL 78 HG22 VAL 78 -11.306 -0.396 -0.792 588 HG23 VAL 78 HG23 VAL 78 -11.836 0.620 -2.133 589 H ALA 79 H ALA 79 -8.922 -4.409 -1.780 590 HA ALA 79 HA ALA 79 -7.990 -5.171 -4.430 591 HB1 ALA 79 HB1 ALA 79 -7.646 -7.396 -3.442 592 HB2 ALA 79 HB2 ALA 79 -8.500 -6.891 -1.981 593 HB3 ALA 79 HB3 ALA 79 -6.964 -6.137 -2.410 594 H GLY 80 H GLY 80 -10.916 -5.537 -2.535 595 HA2 GLY 80 HA2 GLY 80 -12.543 -6.151 -4.841 596 HA3 GLY 80 HA3 GLY 80 -12.362 -7.525 -3.751 597 H ASP 81 H ASP 81 -13.669 -7.630 -1.973 598 HA ASP 81 HA ASP 81 -15.456 -5.405 -1.333 599 HB2 ASP 81 HB2 ASP 81 -16.307 -7.757 -1.424 600 HB3 ASP 81 HB3 ASP 81 -15.257 -8.178 -0.076 601 H GLU 82 H GLU 82 -12.461 -6.721 -0.206 602 HA GLU 82 HA GLU 82 -12.590 -5.402 2.426 603 HB2 GLU 82 HB2 GLU 82 -11.805 -7.776 2.284 604 HB3 GLU 82 HB3 GLU 82 -10.458 -7.261 1.277 605 HG2 GLU 82 HG2 GLU 82 -9.734 -7.644 3.580 606 HG3 GLU 82 HG3 GLU 82 -9.536 -5.949 3.133 607 H CYS 83 H CYS 83 -11.043 -3.858 3.098 608 HA CYS 83 HA CYS 83 -9.220 -2.673 1.111 609 HB2 CYS 83 HB2 CYS 83 -10.006 -0.376 1.719 610 HB3 CYS 83 HB3 CYS 83 -11.248 -1.333 0.919 611 HG CYS 83 HG CYS 83 -12.870 -1.654 3.019 612 H ALA 84 H ALA 84 -7.299 -2.052 1.945 613 HA ALA 84 HA ALA 84 -6.800 -2.194 4.847 614 HB1 ALA 84 HB1 ALA 84 -4.854 -1.904 2.528 615 HB2 ALA 84 HB2 ALA 84 -5.279 -3.414 3.335 616 HB3 ALA 84 HB3 ALA 84 -4.418 -2.155 4.221 617 H TYR 85 H TYR 85 -5.425 -0.439 5.867 618 HA TYR 85 HA TYR 85 -5.884 2.255 4.713 619 HB2 TYR 85 HB2 TYR 85 -6.635 1.369 7.531 620 HB3 TYR 85 HB3 TYR 85 -6.542 3.060 7.042 621 HD1 TYR 85 HD2 TYR 85 -8.092 3.902 5.213 622 HD2 TYR 85 HD1 TYR 85 -8.613 0.064 7.019 623 HE1 TYR 85 HE2 TYR 85 -10.391 3.810 4.352 624 HE2 TYR 85 HE1 TYR 85 -10.913 -0.032 6.150 625 HH TYR 85 HH TYR 85 -12.052 1.987 3.748 626 H PHE 86 H PHE 86 -4.260 3.638 4.874 627 HA PHE 86 HA PHE 86 -2.062 3.267 6.840 628 HB2 PHE 86 HB2 PHE 86 -1.792 4.312 3.976 629 HB3 PHE 86 HB3 PHE 86 -0.484 4.172 5.144 630 HD1 PHE 86 HD2 PHE 86 0.497 1.970 5.671 631 HD2 PHE 86 HD1 PHE 86 -2.662 2.331 2.807 632 HE1 PHE 86 HE2 PHE 86 0.979 -0.295 4.845 633 HE2 PHE 86 HE1 PHE 86 -2.167 0.062 1.994 634 HZ PHE 86 HZ PHE 86 -0.353 -1.249 3.009 635 H THR 87 H THR 87 -1.518 5.146 7.978 636 HA THR 87 HA THR 87 -2.596 7.754 7.036 637 HB THR 87 HB THR 87 -2.354 6.896 9.961 638 HG1 THR 87 HG1 THR 87 -4.857 7.540 9.017 639 HG21 THR 87 HG21 THR 87 -3.563 9.009 10.456 640 HG22 THR 87 HG22 THR 87 -3.503 9.440 8.747 641 HG23 THR 87 HG23 THR 87 -2.010 9.330 9.680 642 H VAL 88 H VAL 88 -0.763 8.617 6.175 643 HA VAL 88 HA VAL 88 1.789 8.576 7.631 644 HB VAL 88 HB VAL 88 1.154 9.687 4.855 645 HG11 VAL 88 HG11 VAL 88 3.858 9.193 6.169 646 HG12 VAL 88 HG12 VAL 88 3.143 10.770 5.831 647 HG13 VAL 88 HG13 VAL 88 3.609 9.711 4.499 648 HG21 VAL 88 HG21 VAL 88 0.823 7.243 4.929 649 HG22 VAL 88 HG22 VAL 88 2.441 7.029 5.600 650 HG23 VAL 88 HG23 VAL 88 2.241 7.650 3.960 651 H THR 89 H THR 89 2.487 10.263 8.777 652 HA THR 89 HA THR 89 1.217 12.936 8.512 653 HB THR 89 HB THR 89 1.600 13.209 10.995 654 HG1 THR 89 HG1 THR 89 1.766 10.450 11.380 655 HG21 THR 89 HG21 THR 89 -0.657 12.585 10.201 656 HG22 THR 89 HG22 THR 89 -0.307 11.839 11.762 657 HG23 THR 89 HG23 THR 89 -0.217 10.877 10.285 658 H ILE 90 H ILE 90 2.668 14.509 8.013 659 HA ILE 90 HA ILE 90 5.532 13.883 7.968 660 HB ILE 90 HB ILE 90 4.106 16.353 6.904 661 HG12 ILE 90 HG12 ILE 90 3.320 14.317 5.736 662 HG13 ILE 90 HG13 ILE 90 4.279 15.325 4.661 663 HG21 ILE 90 HG21 ILE 90 6.937 15.360 6.375 664 HG22 ILE 90 HG22 ILE 90 6.484 16.797 7.297 665 HG23 ILE 90 HG23 ILE 90 6.164 16.726 5.566 666 HD11 ILE 90 HD11 ILE 90 5.210 12.805 6.034 667 HD12 ILE 90 HD12 ILE 90 6.188 13.819 4.967 668 HD13 ILE 90 HD13 ILE 90 4.766 12.988 4.338 Start of MODEL 12 1 H HIS 1 H1 HIS 1 -18.416 -16.002 -5.353 2 HA HIS 1 HA HIS 1 -18.263 -13.707 -5.996 3 HB2 HIS 1 HB2 HIS 1 -18.534 -13.222 -2.998 4 HB3 HIS 1 HB3 HIS 1 -17.885 -12.000 -4.089 5 HD1 HIS 1 HD1 HIS 1 -21.112 -13.868 -3.373 6 HD2 HIS 1 HD2 HIS 1 -19.781 -10.553 -5.500 7 HE1 HIS 1 HE1 HIS 1 -23.172 -12.747 -4.229 8 HE2 HIS 1 HE2 HIS 1 -22.355 -10.689 -5.398 9 H MET 2 H MET 2 -16.259 -12.170 -5.114 10 HA MET 2 HA MET 2 -13.965 -13.766 -5.717 11 HB2 MET 2 HB2 MET 2 -13.970 -10.851 -4.863 12 HB3 MET 2 HB3 MET 2 -12.750 -11.681 -5.819 13 HG2 MET 2 HG2 MET 2 -13.961 -10.283 -7.308 14 HG3 MET 2 HG3 MET 2 -14.502 -11.928 -7.636 15 HE1 MET 2 HE1 MET 2 -15.416 -8.515 -5.834 16 HE2 MET 2 HE2 MET 2 -15.626 -9.684 -4.530 17 HE3 MET 2 HE3 MET 2 -17.028 -8.867 -5.224 18 HA PRO 3 HA PRO 3 -12.905 -14.334 -1.289 19 HB2 PRO 3 HB2 PRO 3 -10.772 -16.173 -2.035 20 HB3 PRO 3 HB3 PRO 3 -12.364 -16.562 -1.380 21 HG2 PRO 3 HG2 PRO 3 -11.573 -17.190 -3.955 22 HG3 PRO 3 HG3 PRO 3 -13.265 -16.973 -3.462 23 HD2 PRO 3 HD2 PRO 3 -11.421 -14.997 -4.824 24 HD3 PRO 3 HD3 PRO 3 -13.123 -15.389 -5.186 25 H VAL 4 H VAL 4 -11.527 -12.269 -3.185 26 HA VAL 4 HA VAL 4 -8.804 -12.114 -2.309 27 HB VAL 4 HB VAL 4 -9.278 -11.205 -4.467 28 HG11 VAL 4 HG11 VAL 4 -11.268 -9.297 -3.213 29 HG12 VAL 4 HG12 VAL 4 -11.642 -10.672 -4.251 30 HG13 VAL 4 HG13 VAL 4 -10.762 -9.290 -4.906 31 HG21 VAL 4 HG21 VAL 4 -8.685 -8.876 -2.594 32 HG22 VAL 4 HG22 VAL 4 -8.322 -8.930 -4.320 33 HG23 VAL 4 HG23 VAL 4 -7.506 -10.033 -3.215 34 H HIS 5 H HIS 5 -8.827 -12.139 -0.113 35 HA HIS 5 HA HIS 5 -9.681 -9.659 1.282 36 HB2 HIS 5 HB2 HIS 5 -9.357 -12.507 2.344 37 HB3 HIS 5 HB3 HIS 5 -9.506 -11.101 3.400 38 HD1 HIS 5 HD1 HIS 5 -11.836 -10.806 4.207 39 HD2 HIS 5 HD2 HIS 5 -11.768 -12.472 0.408 40 HE1 HIS 5 HE1 HIS 5 -14.237 -11.103 3.564 41 HE2 HIS 5 HE2 HIS 5 -14.152 -11.848 1.170 42 H ILE 6 H ILE 6 -8.165 -8.561 2.504 43 HA ILE 6 HA ILE 6 -5.468 -8.733 1.536 44 HB ILE 6 HB ILE 6 -6.612 -6.935 3.724 45 HG12 ILE 6 HG12 ILE 6 -6.274 -6.425 0.722 46 HG13 ILE 6 HG13 ILE 6 -7.808 -6.674 1.546 47 HG21 ILE 6 HG21 ILE 6 -4.143 -7.037 3.820 48 HG22 ILE 6 HG22 ILE 6 -4.667 -5.458 3.240 49 HG23 ILE 6 HG23 ILE 6 -4.041 -6.650 2.099 50 HD11 ILE 6 HD11 ILE 6 -5.934 -4.344 1.942 51 HD12 ILE 6 HD12 ILE 6 -7.470 -4.585 2.781 52 HD13 ILE 6 HD13 ILE 6 -7.445 -4.346 1.036 53 H VAL 7 H VAL 7 -4.084 -10.187 2.256 54 HA VAL 7 HA VAL 7 -4.335 -11.511 4.811 55 HB VAL 7 HB VAL 7 -2.291 -12.813 4.062 56 HG11 VAL 7 HG11 VAL 7 -4.625 -12.749 2.099 57 HG12 VAL 7 HG12 VAL 7 -4.564 -13.658 3.610 58 HG13 VAL 7 HG13 VAL 7 -3.474 -14.076 2.289 59 HG21 VAL 7 HG21 VAL 7 -2.602 -11.217 1.478 60 HG22 VAL 7 HG22 VAL 7 -1.503 -12.577 1.735 61 HG23 VAL 7 HG23 VAL 7 -1.258 -11.070 2.617 62 H ASP 8 H ASP 8 -2.228 -8.985 3.490 63 HA ASP 8 HA ASP 8 -1.550 -8.079 6.119 64 HB2 ASP 8 HB2 ASP 8 0.117 -9.933 5.906 65 HB3 ASP 8 HB3 ASP 8 0.757 -9.186 4.441 66 HA PRO 9 HA PRO 9 -1.110 -6.421 7.058 67 HB2 PRO 9 HB2 PRO 9 -1.270 -3.806 7.665 68 HB3 PRO 9 HB3 PRO 9 0.272 -4.539 7.199 69 HG2 PRO 9 HG2 PRO 9 -1.577 -2.820 5.573 70 HG3 PRO 9 HG3 PRO 9 0.197 -2.851 5.601 71 HD2 PRO 9 HD2 PRO 9 -1.456 -4.158 3.707 72 HD3 PRO 9 HD3 PRO 9 0.276 -4.458 3.953 73 H ARG 10 H ARG 10 -2.953 -6.606 8.196 74 HA ARG 10 HA ARG 10 -5.559 -5.795 7.112 75 HB2 ARG 10 HB2 ARG 10 -4.885 -7.342 9.654 76 HB3 ARG 10 HB3 ARG 10 -6.480 -7.197 8.910 77 HG2 ARG 10 HG2 ARG 10 -5.797 -8.534 7.014 78 HG3 ARG 10 HG3 ARG 10 -4.111 -8.512 7.541 79 HD2 ARG 10 HD2 ARG 10 -4.785 -9.775 9.591 80 HD3 ARG 10 HD3 ARG 10 -6.425 -9.884 8.944 81 HE ARG 10 HE ARG 10 -5.407 -11.094 7.016 82 HH11 ARG 10 HH11 ARG 10 -3.769 -11.178 10.070 83 HH12 ARG 10 HH12 ARG 10 -3.012 -12.696 9.724 84 HH21 ARG 10 HH21 ARG 10 -4.426 -13.015 6.618 85 HH22 ARG 10 HH22 ARG 10 -3.379 -13.714 7.807 86 H GLU 11 H GLU 11 -3.216 -4.895 9.461 87 HA GLU 11 HA GLU 11 -4.893 -3.330 11.212 88 HB2 GLU 11 HB2 GLU 11 -2.870 -4.587 11.983 89 HB3 GLU 11 HB3 GLU 11 -1.853 -3.540 11.010 90 HG2 GLU 11 HG2 GLU 11 -1.735 -2.889 13.336 91 HG3 GLU 11 HG3 GLU 11 -2.504 -1.612 12.397 92 H HIS 12 H HIS 12 -4.832 -1.063 11.468 93 HA HIS 12 HA HIS 12 -4.255 0.552 9.127 94 HB2 HIS 12 HB2 HIS 12 -5.041 2.465 10.665 95 HB3 HIS 12 HB3 HIS 12 -6.215 1.228 10.258 96 HD1 HIS 12 HD1 HIS 12 -3.848 1.992 13.154 97 HD2 HIS 12 HD2 HIS 12 -7.569 0.322 12.436 98 HE1 HIS 12 HE1 HIS 12 -4.799 1.501 15.413 99 HE2 HIS 12 HE2 HIS 12 -6.929 0.265 14.932 100 H VAL 13 H VAL 13 -2.184 0.979 8.670 101 HA VAL 13 HA VAL 13 -0.112 1.050 10.727 102 HB VAL 13 HB VAL 13 0.154 1.278 7.693 103 HG11 VAL 13 HG11 VAL 13 2.534 0.644 8.037 104 HG12 VAL 13 HG12 VAL 13 2.294 0.698 9.786 105 HG13 VAL 13 HG13 VAL 13 2.142 2.172 8.831 106 HG21 VAL 13 HG21 VAL 13 -0.880 -0.870 8.335 107 HG22 VAL 13 HG22 VAL 13 0.445 -1.194 9.455 108 HG23 VAL 13 HG23 VAL 13 0.754 -1.123 7.718 109 H PHE 14 H PHE 14 0.114 2.957 11.786 110 HA PHE 14 HA PHE 14 -0.139 5.558 10.522 111 HB2 PHE 14 HB2 PHE 14 0.766 4.729 13.314 112 HB3 PHE 14 HB3 PHE 14 0.657 6.404 12.786 113 HD1 PHE 14 HD2 PHE 14 -1.515 7.479 12.435 114 HD2 PHE 14 HD1 PHE 14 -1.285 3.416 13.752 115 HE1 PHE 14 HE2 PHE 14 -3.887 7.551 13.074 116 HE2 PHE 14 HE1 PHE 14 -3.663 3.499 14.379 117 HZ PHE 14 HZ PHE 14 -4.964 5.562 14.044 118 H VAL 15 H VAL 15 1.421 6.306 9.234 119 HA VAL 15 HA VAL 15 4.259 5.566 9.591 120 HB VAL 15 HB VAL 15 2.775 6.661 7.156 121 HG11 VAL 15 HG11 VAL 15 5.683 5.783 7.376 122 HG12 VAL 15 HG12 VAL 15 5.111 7.430 7.110 123 HG13 VAL 15 HG13 VAL 15 4.854 6.199 5.873 124 HG21 VAL 15 HG21 VAL 15 3.862 3.875 7.735 125 HG22 VAL 15 HG22 VAL 15 3.137 4.390 6.216 126 HG23 VAL 15 HG23 VAL 15 2.158 4.338 7.678 127 H HIS 16 H HIS 16 5.851 7.140 9.834 128 HA HIS 16 HA HIS 16 4.973 9.974 10.124 129 HB2 HIS 16 HB2 HIS 16 7.303 8.629 11.567 130 HB3 HIS 16 HB3 HIS 16 6.641 10.234 11.877 131 HD1 HIS 16 HD1 HIS 16 6.182 6.660 12.690 132 HD2 HIS 16 HD2 HIS 16 4.058 10.192 13.192 133 HE1 HIS 16 HE1 HIS 16 4.389 6.129 14.347 134 HE2 HIS 16 HE2 HIS 16 3.253 8.318 14.780 135 H ALA 17 H ALA 17 5.664 11.136 8.399 136 HA ALA 17 HA ALA 17 8.305 10.521 7.153 137 HB1 ALA 17 HB1 ALA 17 7.324 11.050 4.973 138 HB2 ALA 17 HB2 ALA 17 5.760 11.366 5.730 139 HB3 ALA 17 HB3 ALA 17 6.438 9.738 5.753 140 H ILE 18 H ILE 18 9.256 12.283 5.964 141 HA ILE 18 HA ILE 18 8.389 15.055 6.509 142 HB ILE 18 HB ILE 18 11.315 14.123 6.632 143 HG12 ILE 18 HG12 ILE 18 10.047 13.370 8.667 144 HG13 ILE 18 HG13 ILE 18 11.322 14.520 9.048 145 HG21 ILE 18 HG21 ILE 18 11.149 16.428 5.831 146 HG22 ILE 18 HG22 ILE 18 11.839 16.408 7.451 147 HG23 ILE 18 HG23 ILE 18 10.152 16.876 7.218 148 HD11 ILE 18 HD11 ILE 18 9.661 16.295 9.309 149 HD12 ILE 18 HD12 ILE 18 9.290 14.918 10.344 150 HD13 ILE 18 HD13 ILE 18 8.373 15.172 8.860 151 H THR 19 H THR 19 9.550 16.552 4.799 152 HA THR 19 HA THR 19 8.900 15.907 2.201 153 HB THR 19 HB THR 19 10.289 17.830 1.453 154 HG1 THR 19 HG1 THR 19 11.658 18.858 2.900 155 HG21 THR 19 HG21 THR 19 8.103 18.340 2.472 156 HG22 THR 19 HG22 THR 19 9.283 19.593 2.857 157 HG23 THR 19 HG23 THR 19 8.849 18.390 4.072 158 H SER 20 H SER 20 12.036 15.255 3.766 159 HA SER 20 HA SER 20 13.281 14.416 1.229 160 HB2 SER 20 HB2 SER 20 14.602 15.859 2.736 161 HB3 SER 20 HB3 SER 20 14.477 14.662 4.021 162 HG SER 20 HG SER 20 15.970 13.485 3.087 163 H GLU 21 H GLU 21 11.392 12.882 3.513 164 HA GLU 21 HA GLU 21 12.855 10.388 3.766 165 HB2 GLU 21 HB2 GLU 21 10.045 11.150 4.655 166 HB3 GLU 21 HB3 GLU 21 10.788 9.585 4.977 167 HG2 GLU 21 HG2 GLU 21 11.817 12.264 5.964 168 HG3 GLU 21 HG3 GLU 21 10.900 11.100 6.918 169 H CYS 22 H CYS 22 12.802 8.741 2.403 170 HA CYS 22 HA CYS 22 10.785 8.456 0.318 171 HB2 CYS 22 HB2 CYS 22 12.158 6.500 -0.396 172 HB3 CYS 22 HB3 CYS 22 13.111 7.972 -0.268 173 HG CYS 22 HG CYS 22 13.053 5.578 2.172 174 H VAL 23 H VAL 23 8.885 7.520 0.813 175 HA VAL 23 HA VAL 23 8.680 5.562 3.035 176 HB VAL 23 HB VAL 23 6.552 7.412 1.851 177 HG11 VAL 23 HG11 VAL 23 5.491 5.349 2.653 178 HG12 VAL 23 HG12 VAL 23 5.098 6.684 3.736 179 HG13 VAL 23 HG13 VAL 23 6.316 5.496 4.206 180 HG21 VAL 23 HG21 VAL 23 6.674 8.609 4.019 181 HG22 VAL 23 HG22 VAL 23 8.224 8.639 3.178 182 HG23 VAL 23 HG23 VAL 23 7.982 7.542 4.537 183 H MET 24 H MET 24 8.130 3.477 2.537 184 HA MET 24 HA MET 24 6.648 2.942 0.024 185 HB2 MET 24 HB2 MET 24 8.585 1.074 1.443 186 HB3 MET 24 HB3 MET 24 7.629 0.659 0.025 187 HG2 MET 24 HG2 MET 24 9.489 1.260 -1.124 188 HG3 MET 24 HG3 MET 24 8.931 2.906 -0.863 189 HE1 MET 24 HE1 MET 24 11.441 0.124 0.095 190 HE2 MET 24 HE2 MET 24 10.598 0.278 1.638 191 HE3 MET 24 HE3 MET 24 12.280 0.791 1.498 192 H LEU 25 H LEU 25 4.600 3.001 0.745 193 HA LEU 25 HA LEU 25 3.585 1.505 3.014 194 HB2 LEU 25 HB2 LEU 25 2.068 2.678 0.643 195 HB3 LEU 25 HB3 LEU 25 1.374 2.189 2.183 196 HG LEU 25 HG LEU 25 3.290 4.521 1.775 197 HD11 LEU 25 HD11 LEU 25 1.365 5.959 2.237 198 HD12 LEU 25 HD12 LEU 25 0.308 4.548 2.326 199 HD13 LEU 25 HD13 LEU 25 1.091 4.973 0.803 200 HD21 LEU 25 HD21 LEU 25 3.568 3.542 3.999 201 HD22 LEU 25 HD22 LEU 25 1.827 3.633 4.284 202 HD23 LEU 25 HD23 LEU 25 2.777 5.112 4.108 203 H ALA 26 H ALA 26 3.482 -0.731 2.900 204 HA ALA 26 HA ALA 26 3.258 -2.051 0.256 205 HB1 ALA 26 HB1 ALA 26 4.164 -4.041 1.370 206 HB2 ALA 26 HB2 ALA 26 4.152 -3.196 2.920 207 HB3 ALA 26 HB3 ALA 26 5.213 -2.645 1.623 208 H CYS 27 H CYS 27 1.698 -3.598 -0.167 209 HA CYS 27 HA CYS 27 -0.249 -4.457 1.811 210 HB2 CYS 27 HB2 CYS 27 -1.250 -2.351 0.954 211 HB3 CYS 27 HB3 CYS 27 -1.168 -2.978 -0.690 212 HG CYS 27 HG CYS 27 -3.458 -3.490 1.665 213 H GLU 28 H GLU 28 -1.178 -6.422 1.318 214 HA GLU 28 HA GLU 28 -0.604 -7.743 -1.245 215 HB2 GLU 28 HB2 GLU 28 1.359 -8.203 0.238 216 HB3 GLU 28 HB3 GLU 28 0.278 -8.894 1.443 217 HG2 GLU 28 HG2 GLU 28 -0.413 -10.584 -0.376 218 HG3 GLU 28 HG3 GLU 28 0.964 -9.992 -1.306 219 H VAL 29 H VAL 29 -2.051 -9.353 -1.758 220 HA VAL 29 HA VAL 29 -4.294 -9.860 0.128 221 HB VAL 29 HB VAL 29 -5.806 -9.954 -1.893 222 HG11 VAL 29 HG11 VAL 29 -5.971 -7.503 -2.207 223 HG12 VAL 29 HG12 VAL 29 -4.391 -7.296 -1.451 224 HG13 VAL 29 HG13 VAL 29 -5.745 -7.927 -0.510 225 HG21 VAL 29 HG21 VAL 29 -5.034 -8.947 -4.027 226 HG22 VAL 29 HG22 VAL 29 -4.112 -10.398 -3.633 227 HG23 VAL 29 HG23 VAL 29 -3.399 -8.806 -3.373 228 H ASP 30 H ASP 30 -5.600 -11.738 -0.463 229 HA ASP 30 HA ASP 30 -4.126 -14.152 -0.632 230 HB2 ASP 30 HB2 ASP 30 -6.114 -14.034 0.706 231 HB3 ASP 30 HB3 ASP 30 -7.076 -13.425 -0.633 232 H ARG 31 H ARG 31 -5.961 -12.304 -3.035 233 HA ARG 31 HA ARG 31 -5.882 -14.480 -5.019 234 HB2 ARG 31 HB2 ARG 31 -7.660 -12.203 -4.471 235 HB3 ARG 31 HB3 ARG 31 -7.224 -12.253 -6.166 236 HG2 ARG 31 HG2 ARG 31 -8.301 -14.701 -4.749 237 HG3 ARG 31 HG3 ARG 31 -9.370 -13.471 -5.430 238 HD2 ARG 31 HD2 ARG 31 -7.279 -15.025 -6.996 239 HD3 ARG 31 HD3 ARG 31 -9.011 -15.371 -6.986 240 HE ARG 31 HE ARG 31 -7.656 -13.165 -8.328 241 HH11 ARG 31 HH11 ARG 31 -10.726 -14.499 -7.433 242 HH12 ARG 31 HH12 ARG 31 -11.590 -13.514 -8.558 243 HH21 ARG 31 HH21 ARG 31 -8.813 -11.917 -9.755 244 HH22 ARG 31 HH22 ARG 31 -10.530 -12.077 -9.831 245 H GLU 32 H GLU 32 -4.319 -14.562 -6.490 246 HA GLU 32 HA GLU 32 -2.339 -12.535 -6.871 247 HB2 GLU 32 HB2 GLU 32 -2.877 -15.034 -8.540 248 HB3 GLU 32 HB3 GLU 32 -1.431 -14.035 -8.634 249 HG2 GLU 32 HG2 GLU 32 -0.853 -15.971 -7.389 250 HG3 GLU 32 HG3 GLU 32 -0.933 -14.634 -6.247 251 H ASP 33 H ASP 33 -5.144 -13.612 -8.735 252 HA ASP 33 HA ASP 33 -4.662 -12.015 -11.076 253 HB2 ASP 33 HB2 ASP 33 -5.931 -14.136 -11.138 254 HB3 ASP 33 HB3 ASP 33 -7.164 -13.452 -10.087 255 H ALA 34 H ALA 34 -5.901 -11.215 -7.981 256 HA ALA 34 HA ALA 34 -7.331 -8.811 -8.989 257 HB1 ALA 34 HB1 ALA 34 -8.818 -10.414 -7.853 258 HB2 ALA 34 HB2 ALA 34 -8.697 -8.894 -6.965 259 HB3 ALA 34 HB3 ALA 34 -7.817 -10.317 -6.402 260 HA PRO 35 HA PRO 35 -3.848 -6.849 -6.605 261 HB2 PRO 35 HB2 PRO 35 -3.657 -4.610 -8.138 262 HB3 PRO 35 HB3 PRO 35 -2.922 -6.143 -8.628 263 HG2 PRO 35 HG2 PRO 35 -5.569 -4.956 -9.493 264 HG3 PRO 35 HG3 PRO 35 -4.273 -5.646 -10.500 265 HD2 PRO 35 HD2 PRO 35 -6.473 -7.088 -9.801 266 HD3 PRO 35 HD3 PRO 35 -4.877 -7.846 -9.995 267 H VAL 36 H VAL 36 -3.765 -4.583 -5.617 268 HA VAL 36 HA VAL 36 -6.399 -3.891 -4.509 269 HB VAL 36 HB VAL 36 -5.278 -2.782 -2.714 270 HG11 VAL 36 HG11 VAL 36 -5.148 -5.238 -2.569 271 HG12 VAL 36 HG12 VAL 36 -3.748 -4.489 -1.803 272 HG13 VAL 36 HG13 VAL 36 -3.590 -5.218 -3.405 273 HG21 VAL 36 HG21 VAL 36 -2.827 -2.331 -2.642 274 HG22 VAL 36 HG22 VAL 36 -3.627 -1.450 -3.942 275 HG23 VAL 36 HG23 VAL 36 -2.688 -2.896 -4.309 276 H ARG 37 H ARG 37 -7.108 -1.680 -4.345 277 HA ARG 37 HA ARG 37 -6.196 0.124 -6.510 278 HB2 ARG 37 HB2 ARG 37 -8.793 0.095 -4.904 279 HB3 ARG 37 HB3 ARG 37 -8.351 1.389 -6.005 280 HG2 ARG 37 HG2 ARG 37 -9.883 0.037 -7.185 281 HG3 ARG 37 HG3 ARG 37 -8.303 -0.337 -7.869 282 HD2 ARG 37 HD2 ARG 37 -8.223 -2.447 -6.702 283 HD3 ARG 37 HD3 ARG 37 -9.650 -2.033 -5.743 284 HE ARG 37 HE ARG 37 -10.241 -1.980 -8.519 285 HH11 ARG 37 HH11 ARG 37 -9.768 -4.229 -5.933 286 HH12 ARG 37 HH12 ARG 37 -10.747 -5.441 -6.680 287 HH21 ARG 37 HH21 ARG 37 -11.494 -3.537 -9.442 288 HH22 ARG 37 HH22 ARG 37 -11.720 -5.050 -8.632 289 H TRP 38 H TRP 38 -4.733 1.612 -5.834 290 HA TRP 38 HA TRP 38 -4.513 2.389 -3.020 291 HB2 TRP 38 HB2 TRP 38 -2.825 2.983 -5.490 292 HB3 TRP 38 HB3 TRP 38 -2.525 3.772 -3.950 293 HD1 TRP 38 HD1 TRP 38 -1.934 0.494 -5.765 294 HE1 TRP 38 HE1 TRP 38 -0.463 -1.012 -4.296 295 HE3 TRP 38 HE3 TRP 38 -2.047 3.208 -1.433 296 HZ2 TRP 38 HZ2 TRP 38 0.512 -1.071 -1.652 297 HZ3 TRP 38 HZ3 TRP 38 -0.820 2.358 0.528 298 HH2 TRP 38 HH2 TRP 38 0.434 0.261 0.416 299 H TYR 39 H TYR 39 -5.676 4.054 -2.240 300 HA TYR 39 HA TYR 39 -6.471 6.299 -4.026 301 HB2 TYR 39 HB2 TYR 39 -7.921 5.092 -1.634 302 HB3 TYR 39 HB3 TYR 39 -8.403 6.615 -2.384 303 HD1 TYR 39 HD2 TYR 39 -8.494 6.369 -5.143 304 HD2 TYR 39 HD1 TYR 39 -9.233 3.232 -2.325 305 HE1 TYR 39 HE2 TYR 39 -9.835 5.181 -6.817 306 HE2 TYR 39 HE1 TYR 39 -10.574 2.050 -4.018 307 HH TYR 39 HH TYR 39 -11.861 2.595 -6.054 308 H LYS 40 H LYS 40 -5.801 8.266 -3.584 309 HA LYS 40 HA LYS 40 -4.601 9.053 -1.008 310 HB2 LYS 40 HB2 LYS 40 -3.442 9.511 -3.178 311 HB3 LYS 40 HB3 LYS 40 -4.808 10.473 -3.712 312 HG2 LYS 40 HG2 LYS 40 -4.301 12.215 -2.132 313 HG3 LYS 40 HG3 LYS 40 -3.105 11.214 -1.308 314 HD2 LYS 40 HD2 LYS 40 -2.799 12.041 -4.227 315 HD3 LYS 40 HD3 LYS 40 -2.201 13.036 -2.896 316 HE2 LYS 40 HE2 LYS 40 -0.664 11.319 -2.186 317 HE3 LYS 40 HE3 LYS 40 -1.371 10.136 -3.291 318 HZ1 LYS 40 HZ1 LYS 40 0.025 12.602 -4.143 319 HZ2 LYS 40 HZ2 LYS 40 -0.491 11.337 -5.142 320 HZ3 LYS 40 HZ3 LYS 40 0.760 11.091 -4.023 321 H ASP 41 H ASP 41 -5.315 11.642 -0.625 322 HA ASP 41 HA ASP 41 -7.738 11.686 0.616 323 HB2 ASP 41 HB2 ASP 41 -5.892 13.341 0.917 324 HB3 ASP 41 HB3 ASP 41 -6.349 14.104 -0.600 325 H GLY 42 H GLY 42 -9.482 10.898 -0.496 326 HA2 GLY 42 HA2 GLY 42 -11.457 10.961 -1.668 327 HA3 GLY 42 HA3 GLY 42 -11.186 12.675 -1.888 328 H GLN 43 H GLN 43 -8.942 10.260 -3.144 329 HA GLN 43 HA GLN 43 -9.956 10.182 -5.848 330 HB2 GLN 43 HB2 GLN 43 -8.151 11.544 -6.897 331 HB3 GLN 43 HB3 GLN 43 -9.136 12.513 -5.809 332 HG2 GLN 43 HG2 GLN 43 -7.337 12.203 -4.044 333 HG3 GLN 43 HG3 GLN 43 -6.339 11.460 -5.294 334 HE21 GLN 43 HE21 GLN 43 -7.739 14.421 -4.131 335 HE22 GLN 43 HE22 GLN 43 -6.830 15.492 -5.137 336 H GLU 44 H GLU 44 -7.965 9.405 -7.370 337 HA GLU 44 HA GLU 44 -6.697 7.068 -6.274 338 HB2 GLU 44 HB2 GLU 44 -7.360 7.511 -8.731 339 HB3 GLU 44 HB3 GLU 44 -5.933 8.523 -8.847 340 HG2 GLU 44 HG2 GLU 44 -5.348 6.426 -9.793 341 HG3 GLU 44 HG3 GLU 44 -4.558 6.485 -8.217 342 H VAL 45 H VAL 45 -4.228 6.775 -6.270 343 HA VAL 45 HA VAL 45 -2.970 8.819 -4.739 344 HB VAL 45 HB VAL 45 -1.935 6.220 -5.924 345 HG11 VAL 45 HG11 VAL 45 0.030 7.684 -5.831 346 HG12 VAL 45 HG12 VAL 45 0.131 6.469 -4.561 347 HG13 VAL 45 HG13 VAL 45 -0.337 8.126 -4.164 348 HG21 VAL 45 HG21 VAL 45 -2.471 7.110 -3.063 349 HG22 VAL 45 HG22 VAL 45 -1.939 5.502 -3.566 350 HG23 VAL 45 HG23 VAL 45 -3.527 6.095 -4.044 351 H GLU 46 H GLU 46 -3.050 8.312 -8.172 352 HA GLU 46 HA GLU 46 -2.422 9.583 -9.945 353 HB2 GLU 46 HB2 GLU 46 -1.831 11.742 -7.871 354 HB3 GLU 46 HB3 GLU 46 -2.008 12.017 -9.599 355 HG2 GLU 46 HG2 GLU 46 -4.231 10.968 -7.814 356 HG3 GLU 46 HG3 GLU 46 -3.985 12.674 -8.179 357 H GLU 47 H GLU 47 -0.583 8.403 -10.639 358 HA GLU 47 HA GLU 47 2.005 8.659 -9.437 359 HB2 GLU 47 HB2 GLU 47 1.308 7.503 -12.170 360 HB3 GLU 47 HB3 GLU 47 2.853 7.336 -11.352 361 HG2 GLU 47 HG2 GLU 47 1.873 5.291 -10.899 362 HG3 GLU 47 HG3 GLU 47 1.473 6.199 -9.448 363 H SER 48 H SER 48 2.429 10.870 -9.389 364 HA SER 48 HA SER 48 2.892 12.297 -11.952 365 HB2 SER 48 HB2 SER 48 2.136 13.452 -9.231 366 HB3 SER 48 HB3 SER 48 2.390 14.388 -10.705 367 HG SER 48 HG SER 48 0.390 12.396 -10.305 368 H ASP 49 H ASP 49 5.068 11.859 -12.242 369 HA ASP 49 HA ASP 49 7.301 12.060 -12.134 370 HB2 ASP 49 HB2 ASP 49 6.656 14.504 -10.424 371 HB3 ASP 49 HB3 ASP 49 8.237 14.170 -11.128 372 H PHE 50 H PHE 50 6.709 13.203 -8.801 373 HA PHE 50 HA PHE 50 8.764 11.591 -7.627 374 HB2 PHE 50 HB2 PHE 50 6.493 13.038 -6.185 375 HB3 PHE 50 HB3 PHE 50 8.039 12.547 -5.496 376 HD1 PHE 50 HD1 PHE 50 10.180 13.652 -6.433 377 HD2 PHE 50 HD2 PHE 50 6.257 15.197 -7.180 378 HE1 PHE 50 HE1 PHE 50 11.146 15.836 -7.038 379 HE2 PHE 50 HE2 PHE 50 7.237 17.376 -7.775 380 HZ PHE 50 HZ PHE 50 9.679 17.696 -7.707 381 H VAL 51 H VAL 51 5.228 11.403 -7.794 382 HA VAL 51 HA VAL 51 4.969 9.179 -5.997 383 HB VAL 51 HB VAL 51 2.918 10.194 -8.021 384 HG11 VAL 51 HG11 VAL 51 1.245 9.215 -6.486 385 HG12 VAL 51 HG12 VAL 51 2.542 8.620 -5.447 386 HG13 VAL 51 HG13 VAL 51 2.365 7.989 -7.084 387 HG21 VAL 51 HG21 VAL 51 3.318 11.110 -5.149 388 HG22 VAL 51 HG22 VAL 51 2.003 11.607 -6.217 389 HG23 VAL 51 HG23 VAL 51 3.667 12.058 -6.595 390 H VAL 52 H VAL 52 5.481 7.106 -6.497 391 HA VAL 52 HA VAL 52 4.849 6.037 -9.198 392 HB VAL 52 HB VAL 52 6.875 4.609 -9.151 393 HG11 VAL 52 HG11 VAL 52 7.574 7.556 -8.842 394 HG12 VAL 52 HG12 VAL 52 7.043 6.764 -10.326 395 HG13 VAL 52 HG13 VAL 52 8.592 6.331 -9.606 396 HG21 VAL 52 HG21 VAL 52 8.709 4.998 -7.514 397 HG22 VAL 52 HG22 VAL 52 7.247 4.399 -6.734 398 HG23 VAL 52 HG23 VAL 52 7.664 6.108 -6.618 399 H LEU 53 H LEU 53 3.979 3.972 -9.245 400 HA LEU 53 HA LEU 53 3.441 2.611 -6.658 401 HB2 LEU 53 HB2 LEU 53 1.708 2.709 -9.164 402 HB3 LEU 53 HB3 LEU 53 1.383 1.675 -7.781 403 HG LEU 53 HG LEU 53 1.339 4.725 -7.775 404 HD11 LEU 53 HD11 LEU 53 -0.614 3.751 -8.896 405 HD12 LEU 53 HD12 LEU 53 -1.067 4.515 -7.375 406 HD13 LEU 53 HD13 LEU 53 -0.951 2.755 -7.476 407 HD21 LEU 53 HD21 LEU 53 2.155 3.912 -5.620 408 HD22 LEU 53 HD22 LEU 53 0.782 2.811 -5.484 409 HD23 LEU 53 HD23 LEU 53 0.525 4.558 -5.454 410 H GLU 54 H GLU 54 4.399 0.703 -6.438 411 HA GLU 54 HA GLU 54 5.526 -0.734 -8.749 412 HB2 GLU 54 HB2 GLU 54 6.013 -1.088 -5.759 413 HB3 GLU 54 HB3 GLU 54 6.855 -1.965 -7.035 414 HG2 GLU 54 HG2 GLU 54 6.986 1.022 -6.515 415 HG3 GLU 54 HG3 GLU 54 8.237 -0.157 -6.129 416 H ASN 55 H ASN 55 5.223 -2.987 -9.034 417 HA ASN 55 HA ASN 55 2.859 -4.219 -7.766 418 HB2 ASN 55 HB2 ASN 55 1.877 -4.794 -9.920 419 HB3 ASN 55 HB3 ASN 55 2.112 -3.059 -9.842 420 HD21 ASN 55 HD21 ASN 55 4.900 -2.979 -10.590 421 HD22 ASN 55 HD22 ASN 55 4.994 -3.474 -12.233 422 H GLU 56 H GLU 56 2.779 -6.486 -7.813 423 HA GLU 56 HA GLU 56 4.640 -8.167 -9.185 424 HB2 GLU 56 HB2 GLU 56 6.177 -7.237 -7.441 425 HB3 GLU 56 HB3 GLU 56 5.103 -7.827 -6.183 426 HG2 GLU 56 HG2 GLU 56 7.054 -9.275 -6.414 427 HG3 GLU 56 HG3 GLU 56 5.581 -10.147 -6.828 428 H GLY 57 H GLY 57 2.459 -8.950 -9.718 429 HA2 GLY 57 HA2 GLY 57 0.667 -10.378 -9.584 430 HA3 GLY 57 HA3 GLY 57 1.582 -11.246 -8.370 431 HA PRO 58 HA PRO 58 -1.762 -9.701 -5.597 432 HB2 PRO 58 HB2 PRO 58 -1.213 -11.237 -3.436 433 HB3 PRO 58 HB3 PRO 58 -1.943 -11.931 -4.893 434 HG2 PRO 58 HG2 PRO 58 0.955 -11.954 -4.038 435 HG3 PRO 58 HG3 PRO 58 -0.039 -13.299 -4.642 436 HD2 PRO 58 HD2 PRO 58 1.689 -11.889 -6.243 437 HD3 PRO 58 HD3 PRO 58 0.203 -12.645 -6.863 438 H HIS 59 H HIS 59 1.661 -9.446 -5.266 439 HA HIS 59 HA HIS 59 1.680 -7.835 -2.826 440 HB2 HIS 59 HB2 HIS 59 4.020 -8.284 -4.725 441 HB3 HIS 59 HB3 HIS 59 4.082 -7.816 -3.029 442 HD1 HIS 59 HD1 HIS 59 3.694 -9.749 -1.268 443 HD2 HIS 59 HD2 HIS 59 3.891 -11.035 -5.215 444 HE1 HIS 59 HE1 HIS 59 4.054 -12.225 -1.160 445 HE2 HIS 59 HE2 HIS 59 4.223 -12.971 -3.549 446 H ARG 60 H ARG 60 1.553 -5.689 -2.810 447 HA ARG 60 HA ARG 60 2.128 -4.007 -5.169 448 HB2 ARG 60 HB2 ARG 60 -0.427 -4.037 -3.501 449 HB3 ARG 60 HB3 ARG 60 0.051 -2.608 -4.409 450 HG2 ARG 60 HG2 ARG 60 -0.389 -5.322 -5.698 451 HG3 ARG 60 HG3 ARG 60 -1.659 -4.104 -5.533 452 HD2 ARG 60 HD2 ARG 60 -0.374 -2.528 -6.902 453 HD3 ARG 60 HD3 ARG 60 0.979 -3.663 -6.989 454 HE ARG 60 HE ARG 60 -0.771 -5.183 -8.117 455 HH11 ARG 60 HH11 ARG 60 -0.762 -1.755 -8.532 456 HH12 ARG 60 HH12 ARG 60 -1.344 -1.853 -10.154 457 HH21 ARG 60 HH21 ARG 60 -1.456 -5.265 -10.208 458 HH22 ARG 60 HH22 ARG 60 -1.704 -3.799 -11.093 459 H ARG 61 H ARG 61 2.892 -1.895 -4.614 460 HA ARG 61 HA ARG 61 2.768 -0.974 -1.884 461 HB2 ARG 61 HB2 ARG 61 5.322 -0.653 -1.696 462 HB3 ARG 61 HB3 ARG 61 4.663 -2.255 -1.409 463 HG2 ARG 61 HG2 ARG 61 5.374 -3.008 -3.619 464 HG3 ARG 61 HG3 ARG 61 5.962 -1.381 -4.006 465 HD2 ARG 61 HD2 ARG 61 7.816 -2.885 -3.328 466 HD3 ARG 61 HD3 ARG 61 7.638 -1.523 -2.221 467 HE ARG 61 HE ARG 61 6.286 -3.999 -1.468 468 HH11 ARG 61 HH11 ARG 61 9.114 -2.037 -1.007 469 HH12 ARG 61 HH12 ARG 61 9.518 -2.825 0.479 470 HH21 ARG 61 HH21 ARG 61 6.832 -4.941 0.425 471 HH22 ARG 61 HH22 ARG 61 8.259 -4.441 1.267 472 H LEU 62 H LEU 62 2.552 1.090 -1.795 473 HA LEU 62 HA LEU 62 3.019 2.935 -3.963 474 HB2 LEU 62 HB2 LEU 62 1.113 2.949 -2.252 475 HB3 LEU 62 HB3 LEU 62 2.269 3.491 -1.054 476 HG LEU 62 HG LEU 62 1.529 5.077 -3.560 477 HD11 LEU 62 HD11 LEU 62 0.482 5.421 -0.735 478 HD12 LEU 62 HD12 LEU 62 -0.429 4.795 -2.110 479 HD13 LEU 62 HD13 LEU 62 0.127 6.466 -2.114 480 HD21 LEU 62 HD21 LEU 62 2.509 7.016 -2.392 481 HD22 LEU 62 HD22 LEU 62 3.709 5.759 -2.668 482 HD23 LEU 62 HD23 LEU 62 3.012 5.968 -1.061 483 H VAL 63 H VAL 63 5.047 3.751 -4.354 484 HA VAL 63 HA VAL 63 6.920 4.154 -2.080 485 HB VAL 63 HB VAL 63 7.580 3.817 -5.042 486 HG11 VAL 63 HG11 VAL 63 9.219 5.278 -3.932 487 HG12 VAL 63 HG12 VAL 63 9.953 3.726 -4.335 488 HG13 VAL 63 HG13 VAL 63 9.474 4.070 -2.671 489 HG21 VAL 63 HG21 VAL 63 8.546 1.626 -4.417 490 HG22 VAL 63 HG22 VAL 63 6.826 1.688 -4.040 491 HG23 VAL 63 HG23 VAL 63 8.016 1.856 -2.748 492 H LEU 64 H LEU 64 7.580 6.193 -1.615 493 HA LEU 64 HA LEU 64 7.144 8.408 -3.508 494 HB2 LEU 64 HB2 LEU 64 5.523 7.980 -1.229 495 HB3 LEU 64 HB3 LEU 64 6.652 9.203 -0.698 496 HG LEU 64 HG LEU 64 4.712 10.349 -1.488 497 HD11 LEU 64 HD11 LEU 64 5.524 11.746 -3.310 498 HD12 LEU 64 HD12 LEU 64 6.782 10.564 -3.695 499 HD13 LEU 64 HD13 LEU 64 6.810 11.420 -2.151 500 HD21 LEU 64 HD21 LEU 64 4.881 8.734 -4.049 501 HD22 LEU 64 HD22 LEU 64 3.722 10.024 -3.712 502 HD23 LEU 64 HD23 LEU 64 3.688 8.543 -2.759 503 HA PRO 65 HA PRO 65 11.593 8.489 -2.150 504 HB2 PRO 65 HB2 PRO 65 12.386 10.229 -4.190 505 HB3 PRO 65 HB3 PRO 65 12.299 8.471 -4.346 506 HG2 PRO 65 HG2 PRO 65 10.251 10.535 -5.148 507 HG3 PRO 65 HG3 PRO 65 10.843 9.135 -6.070 508 HD2 PRO 65 HD2 PRO 65 8.496 9.009 -4.800 509 HD3 PRO 65 HD3 PRO 65 9.584 7.603 -4.782 510 H ALA 66 H ALA 66 9.649 11.368 -3.023 511 HA ALA 66 HA ALA 66 10.797 12.824 -0.697 512 HB1 ALA 66 HB1 ALA 66 10.577 14.927 -1.964 513 HB2 ALA 66 HB2 ALA 66 9.984 14.036 -3.370 514 HB3 ALA 66 HB3 ALA 66 11.638 13.796 -2.807 515 H THR 67 H THR 67 9.089 12.227 0.693 516 HA THR 67 HA THR 67 6.313 12.398 -0.177 517 HB THR 67 HB THR 67 7.289 11.756 2.646 518 HG1 THR 67 HG1 THR 67 8.207 10.381 0.917 519 HG21 THR 67 HG21 THR 67 5.171 10.489 2.807 520 HG22 THR 67 HG22 THR 67 4.749 10.956 1.158 521 HG23 THR 67 HG23 THR 67 4.844 12.180 2.424 522 H GLN 68 H GLN 68 5.726 14.492 -0.476 523 HA GLN 68 HA GLN 68 6.434 16.691 1.243 524 HB2 GLN 68 HB2 GLN 68 4.424 16.520 -1.045 525 HB3 GLN 68 HB3 GLN 68 4.974 18.020 -0.302 526 HG2 GLN 68 HG2 GLN 68 7.269 17.590 -1.094 527 HG3 GLN 68 HG3 GLN 68 6.751 16.052 -1.789 528 HE21 GLN 68 HE21 GLN 68 7.415 16.690 -3.862 529 HE22 GLN 68 HE22 GLN 68 6.561 17.864 -4.795 530 HA PRO 69 HA PRO 69 2.863 16.527 4.110 531 HB2 PRO 69 HB2 PRO 69 2.919 19.108 5.049 532 HB3 PRO 69 HB3 PRO 69 4.108 17.890 5.525 533 HG2 PRO 69 HG2 PRO 69 4.343 20.045 3.426 534 HG3 PRO 69 HG3 PRO 69 5.511 19.572 4.682 535 HD2 PRO 69 HD2 PRO 69 5.741 18.725 2.113 536 HD3 PRO 69 HD3 PRO 69 6.241 17.708 3.480 537 H SER 70 H SER 70 1.698 16.340 1.902 538 HA SER 70 HA SER 70 -0.570 17.941 1.577 539 HB2 SER 70 HB2 SER 70 -0.007 19.100 -0.596 540 HB3 SER 70 HB3 SER 70 0.972 19.704 0.743 541 HG SER 70 HG SER 70 2.075 19.165 -1.317 542 H ASP 71 H ASP 71 1.929 16.079 -0.083 543 HA ASP 71 HA ASP 71 0.162 14.571 -1.788 544 HB2 ASP 71 HB2 ASP 71 2.676 15.140 -2.166 545 HB3 ASP 71 HB3 ASP 71 3.030 13.853 -1.018 546 H GLY 72 H GLY 72 2.099 13.836 1.118 547 HA2 GLY 72 HA2 GLY 72 1.086 11.283 1.745 548 HA3 GLY 72 HA3 GLY 72 1.870 12.377 2.871 549 H GLY 73 H GLY 73 -0.380 10.591 3.355 550 HA2 GLY 73 HA2 GLY 73 -2.109 12.082 4.930 551 HA3 GLY 73 HA3 GLY 73 -2.884 11.978 3.352 552 H GLU 74 H GLU 74 -4.619 10.758 4.311 553 HA GLU 74 HA GLU 74 -4.034 8.100 5.411 554 HB2 GLU 74 HB2 GLU 74 -6.686 9.544 4.991 555 HB3 GLU 74 HB3 GLU 74 -6.501 7.989 5.803 556 HG2 GLU 74 HG2 GLU 74 -5.215 9.016 7.595 557 HG3 GLU 74 HG3 GLU 74 -5.198 10.563 6.750 558 H PHE 75 H PHE 75 -3.339 6.822 3.749 559 HA PHE 75 HA PHE 75 -4.724 6.664 1.189 560 HB2 PHE 75 HB2 PHE 75 -2.227 5.246 2.224 561 HB3 PHE 75 HB3 PHE 75 -2.858 5.094 0.584 562 HD1 PHE 75 HD1 PHE 75 -2.838 7.064 -0.952 563 HD2 PHE 75 HD2 PHE 75 -0.951 7.214 2.881 564 HE1 PHE 75 HE1 PHE 75 -1.573 9.048 -1.643 565 HE2 PHE 75 HE2 PHE 75 0.312 9.201 2.175 566 HZ PHE 75 HZ PHE 75 0.005 10.121 -0.088 567 H GLN 76 H GLN 76 -5.660 4.777 0.357 568 HA GLN 76 HA GLN 76 -6.393 2.643 2.277 569 HB2 GLN 76 HB2 GLN 76 -8.145 4.403 2.296 570 HB3 GLN 76 HB3 GLN 76 -8.347 4.228 0.556 571 HG2 GLN 76 HG2 GLN 76 -9.132 1.907 0.881 572 HG3 GLN 76 HG3 GLN 76 -8.915 2.077 2.625 573 HE21 GLN 76 HE21 GLN 76 -10.835 3.072 -0.126 574 HE22 GLN 76 HE22 GLN 76 -12.170 3.671 0.782 575 H CYS 77 H CYS 77 -5.966 0.713 1.410 576 HA CYS 77 HA CYS 77 -5.862 0.299 -1.508 577 HB2 CYS 77 HB2 CYS 77 -4.991 -1.511 0.784 578 HB3 CYS 77 HB3 CYS 77 -4.748 -1.842 -0.931 579 HG CYS 77 HG CYS 77 -3.472 1.042 -0.531 580 H VAL 78 H VAL 78 -8.045 0.046 -2.141 581 HA VAL 78 HA VAL 78 -9.810 -1.762 -0.668 582 HB VAL 78 HB VAL 78 -10.340 -0.286 -3.293 583 HG11 VAL 78 HG11 VAL 78 -12.281 -1.701 -1.410 584 HG12 VAL 78 HG12 VAL 78 -11.832 -2.229 -3.032 585 HG13 VAL 78 HG13 VAL 78 -12.744 -0.737 -2.816 586 HG21 VAL 78 HG21 VAL 78 -9.911 1.289 -1.439 587 HG22 VAL 78 HG22 VAL 78 -11.120 0.474 -0.443 588 HG23 VAL 78 HG23 VAL 78 -11.612 1.329 -1.906 589 H ALA 79 H ALA 79 -9.981 -3.872 -1.074 590 HA ALA 79 HA ALA 79 -9.289 -5.003 -3.707 591 HB1 ALA 79 HB1 ALA 79 -7.916 -6.750 -2.668 592 HB2 ALA 79 HB2 ALA 79 -8.167 -6.026 -1.077 593 HB3 ALA 79 HB3 ALA 79 -7.264 -5.149 -2.312 594 H GLY 80 H GLY 80 -11.536 -5.317 -4.004 595 HA2 GLY 80 HA2 GLY 80 -13.240 -6.811 -4.308 596 HA3 GLY 80 HA3 GLY 80 -12.425 -7.928 -3.229 597 H ASP 81 H ASP 81 -12.677 -7.598 -0.916 598 HA ASP 81 HA ASP 81 -15.358 -6.526 -0.256 599 HB2 ASP 81 HB2 ASP 81 -13.800 -8.688 1.227 600 HB3 ASP 81 HB3 ASP 81 -15.489 -8.244 1.470 601 H GLU 82 H GLU 82 -11.962 -6.371 0.593 602 HA GLU 82 HA GLU 82 -12.545 -4.858 3.089 603 HB2 GLU 82 HB2 GLU 82 -10.130 -6.600 2.437 604 HB3 GLU 82 HB3 GLU 82 -10.374 -5.708 3.938 605 HG2 GLU 82 HG2 GLU 82 -12.391 -7.080 4.401 606 HG3 GLU 82 HG3 GLU 82 -12.093 -7.994 2.924 607 H CYS 83 H CYS 83 -10.471 -3.567 3.784 608 HA CYS 83 HA CYS 83 -8.990 -2.279 1.647 609 HB2 CYS 83 HB2 CYS 83 -9.818 0.019 2.196 610 HB3 CYS 83 HB3 CYS 83 -11.071 -1.011 1.512 611 HG CYS 83 HG CYS 83 -10.894 -0.923 4.874 612 H ALA 84 H ALA 84 -6.985 -1.784 2.378 613 HA ALA 84 HA ALA 84 -6.382 -1.872 5.260 614 HB1 ALA 84 HB1 ALA 84 -4.512 -1.840 2.858 615 HB2 ALA 84 HB2 ALA 84 -5.043 -3.278 3.731 616 HB3 ALA 84 HB3 ALA 84 -4.030 -2.083 4.541 617 H TYR 85 H TYR 85 -5.460 -0.129 6.400 618 HA TYR 85 HA TYR 85 -5.718 2.531 5.090 619 HB2 TYR 85 HB2 TYR 85 -5.964 1.860 8.052 620 HB3 TYR 85 HB3 TYR 85 -6.267 3.426 7.307 621 HD1 TYR 85 HD1 TYR 85 -8.223 3.608 5.614 622 HD2 TYR 85 HD2 TYR 85 -7.740 0.248 8.225 623 HE1 TYR 85 HE1 TYR 85 -10.582 3.003 5.279 624 HE2 TYR 85 HE2 TYR 85 -10.105 -0.344 7.887 625 HH TYR 85 HH TYR 85 -12.036 1.082 5.439 626 H PHE 86 H PHE 86 -4.067 3.980 5.165 627 HA PHE 86 HA PHE 86 -1.646 3.472 6.806 628 HB2 PHE 86 HB2 PHE 86 -1.618 4.361 3.873 629 HB3 PHE 86 HB3 PHE 86 -0.206 4.098 4.892 630 HD1 PHE 86 HD2 PHE 86 0.486 1.787 5.503 631 HD2 PHE 86 HD1 PHE 86 -2.793 2.486 2.840 632 HE1 PHE 86 HE2 PHE 86 0.564 -0.560 4.776 633 HE2 PHE 86 HE1 PHE 86 -2.709 0.133 2.134 634 HZ PHE 86 HZ PHE 86 -1.033 -1.390 3.095 635 H THR 87 H THR 87 -1.562 5.231 8.172 636 HA THR 87 HA THR 87 -2.612 7.849 7.238 637 HB THR 87 HB THR 87 -2.165 6.893 10.107 638 HG1 THR 87 HG1 THR 87 -3.891 5.858 8.815 639 HG21 THR 87 HG21 THR 87 -2.086 9.365 9.916 640 HG22 THR 87 HG22 THR 87 -3.550 8.841 10.746 641 HG23 THR 87 HG23 THR 87 -3.631 9.349 9.060 642 H VAL 88 H VAL 88 -0.937 8.934 6.346 643 HA VAL 88 HA VAL 88 1.770 8.779 7.470 644 HB VAL 88 HB VAL 88 0.827 10.089 4.873 645 HG11 VAL 88 HG11 VAL 88 3.648 9.413 5.807 646 HG12 VAL 88 HG12 VAL 88 2.963 11.030 5.655 647 HG13 VAL 88 HG13 VAL 88 3.221 10.048 4.215 648 HG21 VAL 88 HG21 VAL 88 2.078 7.339 5.288 649 HG22 VAL 88 HG22 VAL 88 1.713 8.076 3.726 650 HG23 VAL 88 HG23 VAL 88 0.403 7.660 4.829 651 H THR 89 H THR 89 1.904 10.132 9.197 652 HA THR 89 HA THR 89 0.923 12.888 9.152 653 HB THR 89 HB THR 89 2.320 11.297 11.356 654 HG1 THR 89 HG1 THR 89 0.210 10.575 10.825 655 HG21 THR 89 HG21 THR 89 0.962 14.021 11.516 656 HG22 THR 89 HG22 THR 89 2.692 13.720 11.685 657 HG23 THR 89 HG23 THR 89 1.570 13.095 12.891 658 H ILE 90 H ILE 90 2.196 14.460 8.358 659 HA ILE 90 HA ILE 90 5.162 14.204 8.452 660 HB ILE 90 HB ILE 90 3.506 15.709 6.372 661 HG12 ILE 90 HG12 ILE 90 4.918 13.006 6.069 662 HG13 ILE 90 HG13 ILE 90 3.179 13.220 6.220 663 HG21 ILE 90 HG21 ILE 90 5.634 15.864 5.098 664 HG22 ILE 90 HG22 ILE 90 6.490 15.079 6.425 665 HG23 ILE 90 HG23 ILE 90 5.759 16.666 6.664 666 HD11 ILE 90 HD11 ILE 90 3.802 12.816 3.941 667 HD12 ILE 90 HD12 ILE 90 4.902 14.194 3.952 668 HD13 ILE 90 HD13 ILE 90 3.159 14.450 4.100 Start of MODEL 13 1 H HIS 1 H1 HIS 1 -11.207 -21.654 -6.369 2 HA HIS 1 HA HIS 1 -13.485 -21.111 -6.882 3 HB2 HIS 1 HB2 HIS 1 -14.212 -23.590 -5.254 4 HB3 HIS 1 HB3 HIS 1 -15.344 -22.466 -6.001 5 HD1 HIS 1 HD1 HIS 1 -13.640 -25.607 -6.588 6 HD2 HIS 1 HD2 HIS 1 -15.140 -22.563 -8.987 7 HE1 HIS 1 HE1 HIS 1 -13.859 -26.603 -8.874 8 HE2 HIS 1 HE2 HIS 1 -14.566 -24.692 -10.338 9 H MET 2 H MET 2 -12.477 -19.432 -5.622 10 HA MET 2 HA MET 2 -13.319 -19.248 -2.821 11 HB2 MET 2 HB2 MET 2 -11.029 -18.669 -2.003 12 HB3 MET 2 HB3 MET 2 -11.123 -20.325 -2.584 13 HG2 MET 2 HG2 MET 2 -10.046 -18.078 -4.300 14 HG3 MET 2 HG3 MET 2 -9.029 -19.015 -3.208 15 HE1 MET 2 HE1 MET 2 -10.078 -21.956 -3.401 16 HE2 MET 2 HE2 MET 2 -8.371 -21.551 -3.575 17 HE3 MET 2 HE3 MET 2 -9.152 -22.595 -4.762 18 HA PRO 3 HA PRO 3 -13.505 -14.846 -4.020 19 HB2 PRO 3 HB2 PRO 3 -13.894 -13.657 -1.625 20 HB3 PRO 3 HB3 PRO 3 -15.114 -14.738 -2.317 21 HG2 PRO 3 HG2 PRO 3 -13.020 -15.344 -0.227 22 HG3 PRO 3 HG3 PRO 3 -14.755 -15.732 -0.210 23 HD2 PRO 3 HD2 PRO 3 -12.823 -17.538 -0.960 24 HD3 PRO 3 HD3 PRO 3 -14.481 -17.582 -1.595 25 H VAL 4 H VAL 4 -12.555 -12.636 -3.209 26 HA VAL 4 HA VAL 4 -9.670 -12.890 -2.535 27 HB VAL 4 HB VAL 4 -9.779 -12.238 -4.854 28 HG11 VAL 4 HG11 VAL 4 -11.718 -10.022 -4.097 29 HG12 VAL 4 HG12 VAL 4 -12.111 -11.487 -4.996 30 HG13 VAL 4 HG13 VAL 4 -11.034 -10.282 -5.705 31 HG21 VAL 4 HG21 VAL 4 -9.208 -9.727 -3.214 32 HG22 VAL 4 HG22 VAL 4 -8.650 -10.029 -4.857 33 HG23 VAL 4 HG23 VAL 4 -8.064 -11.036 -3.534 34 H HIS 5 H HIS 5 -8.871 -11.598 -0.977 35 HA HIS 5 HA HIS 5 -10.281 -9.214 -0.009 36 HB2 HIS 5 HB2 HIS 5 -9.535 -11.593 1.760 37 HB3 HIS 5 HB3 HIS 5 -9.895 -9.995 2.403 38 HD1 HIS 5 HD1 HIS 5 -12.412 -9.110 1.341 39 HD2 HIS 5 HD2 HIS 5 -11.749 -13.171 1.908 40 HE1 HIS 5 HE1 HIS 5 -14.686 -10.145 1.447 41 HE2 HIS 5 HE2 HIS 5 -14.250 -12.542 2.048 42 H ILE 6 H ILE 6 -8.607 -8.615 2.163 43 HA ILE 6 HA ILE 6 -5.811 -8.698 1.142 44 HB ILE 6 HB ILE 6 -7.149 -6.423 2.701 45 HG12 ILE 6 HG12 ILE 6 -6.048 -6.456 -0.153 46 HG13 ILE 6 HG13 ILE 6 -7.755 -6.455 0.279 47 HG21 ILE 6 HG21 ILE 6 -4.814 -6.680 3.449 48 HG22 ILE 6 HG22 ILE 6 -4.986 -5.204 2.502 49 HG23 ILE 6 HG23 ILE 6 -4.248 -6.633 1.777 50 HD11 ILE 6 HD11 ILE 6 -7.033 -4.266 -0.431 51 HD12 ILE 6 HD12 ILE 6 -5.784 -4.233 0.813 52 HD13 ILE 6 HD13 ILE 6 -7.490 -4.227 1.271 53 H VAL 7 H VAL 7 -4.531 -9.893 2.465 54 HA VAL 7 HA VAL 7 -5.205 -10.307 5.307 55 HB VAL 7 HB VAL 7 -3.291 -11.962 5.290 56 HG11 VAL 7 HG11 VAL 7 -5.426 -12.462 3.181 57 HG12 VAL 7 HG12 VAL 7 -5.600 -12.730 4.917 58 HG13 VAL 7 HG13 VAL 7 -4.457 -13.700 3.987 59 HG21 VAL 7 HG21 VAL 7 -3.191 -11.396 2.292 60 HG22 VAL 7 HG22 VAL 7 -2.292 -12.661 3.133 61 HG23 VAL 7 HG23 VAL 7 -1.941 -10.963 3.461 62 H ASP 8 H ASP 8 -2.972 -8.480 3.364 63 HA ASP 8 HA ASP 8 -1.377 -7.662 5.720 64 HB2 ASP 8 HB2 ASP 8 -0.158 -9.469 4.541 65 HB3 ASP 8 HB3 ASP 8 -0.308 -8.606 3.013 66 HA PRO 9 HA PRO 9 -1.234 -6.012 6.788 67 HB2 PRO 9 HB2 PRO 9 -1.899 -3.556 7.693 68 HB3 PRO 9 HB3 PRO 9 -0.320 -3.863 6.953 69 HG2 PRO 9 HG2 PRO 9 -2.797 -2.680 5.690 70 HG3 PRO 9 HG3 PRO 9 -1.123 -2.077 5.638 71 HD2 PRO 9 HD2 PRO 9 -2.206 -3.561 3.613 72 HD3 PRO 9 HD3 PRO 9 -0.479 -3.624 4.016 73 H ARG 10 H ARG 10 -2.837 -5.677 8.650 74 HA ARG 10 HA ARG 10 -5.623 -6.086 7.724 75 HB2 ARG 10 HB2 ARG 10 -4.365 -8.181 8.254 76 HB3 ARG 10 HB3 ARG 10 -4.063 -7.583 9.877 77 HG2 ARG 10 HG2 ARG 10 -5.814 -9.272 9.842 78 HG3 ARG 10 HG3 ARG 10 -6.439 -7.725 10.405 79 HD2 ARG 10 HD2 ARG 10 -6.763 -8.687 7.540 80 HD3 ARG 10 HD3 ARG 10 -7.939 -9.046 8.806 81 HE ARG 10 HE ARG 10 -7.839 -6.398 8.998 82 HH11 ARG 10 HH11 ARG 10 -8.081 -8.305 6.118 83 HH12 ARG 10 HH12 ARG 10 -8.960 -7.078 5.278 84 HH21 ARG 10 HH21 ARG 10 -8.919 -4.848 7.863 85 HH22 ARG 10 HH22 ARG 10 -9.420 -5.167 6.235 86 H GLU 11 H GLU 11 -3.944 -3.808 9.184 87 HA GLU 11 HA GLU 11 -6.030 -3.004 11.080 88 HB2 GLU 11 HB2 GLU 11 -4.487 -2.753 12.986 89 HB3 GLU 11 HB3 GLU 11 -4.562 -4.430 12.472 90 HG2 GLU 11 HG2 GLU 11 -2.317 -2.521 11.733 91 HG3 GLU 11 HG3 GLU 11 -2.270 -3.614 13.110 92 H HIS 12 H HIS 12 -5.206 -0.877 12.259 93 HA HIS 12 HA HIS 12 -4.658 1.123 10.333 94 HB2 HIS 12 HB2 HIS 12 -4.438 2.669 12.361 95 HB3 HIS 12 HB3 HIS 12 -5.959 1.804 12.202 96 HD1 HIS 12 HD1 HIS 12 -2.674 1.284 14.102 97 HD2 HIS 12 HD2 HIS 12 -6.761 0.769 14.593 98 HE1 HIS 12 HE1 HIS 12 -2.963 0.447 16.442 99 HE2 HIS 12 HE2 HIS 12 -5.430 0.026 16.674 100 H VAL 13 H VAL 13 -2.762 1.353 9.331 101 HA VAL 13 HA VAL 13 -0.201 0.921 10.735 102 HB VAL 13 HB VAL 13 -0.791 1.449 7.789 103 HG11 VAL 13 HG11 VAL 13 1.869 0.756 9.089 104 HG12 VAL 13 HG12 VAL 13 1.437 2.304 8.361 105 HG13 VAL 13 HG13 VAL 13 1.569 0.865 7.351 106 HG21 VAL 13 HG21 VAL 13 -0.209 -0.920 7.433 107 HG22 VAL 13 HG22 VAL 13 -1.574 -0.770 8.540 108 HG23 VAL 13 HG23 VAL 13 0.033 -1.137 9.169 109 H PHE 14 H PHE 14 0.681 2.655 11.743 110 HA PHE 14 HA PHE 14 0.315 5.381 10.620 111 HB2 PHE 14 HB2 PHE 14 1.035 4.508 13.457 112 HB3 PHE 14 HB3 PHE 14 1.000 6.183 12.913 113 HD1 PHE 14 HD2 PHE 14 -1.199 7.176 12.104 114 HD2 PHE 14 HD1 PHE 14 -1.001 3.418 14.135 115 HE1 PHE 14 HE2 PHE 14 -3.604 7.314 12.600 116 HE2 PHE 14 HE1 PHE 14 -3.408 3.562 14.621 117 HZ PHE 14 HZ PHE 14 -4.711 5.511 13.857 118 H VAL 15 H VAL 15 1.982 5.954 9.368 119 HA VAL 15 HA VAL 15 4.757 5.105 10.016 120 HB VAL 15 HB VAL 15 3.611 6.101 7.357 121 HG11 VAL 15 HG11 VAL 15 6.387 5.009 7.971 122 HG12 VAL 15 HG12 VAL 15 5.995 6.682 7.574 123 HG13 VAL 15 HG13 VAL 15 5.777 5.419 6.364 124 HG21 VAL 15 HG21 VAL 15 2.754 3.867 7.917 125 HG22 VAL 15 HG22 VAL 15 4.395 3.282 8.195 126 HG23 VAL 15 HG23 VAL 15 3.893 3.766 6.575 127 H HIS 16 H HIS 16 6.178 6.673 10.663 128 HA HIS 16 HA HIS 16 5.358 9.500 10.606 129 HB2 HIS 16 HB2 HIS 16 7.691 8.119 11.994 130 HB3 HIS 16 HB3 HIS 16 7.338 9.842 12.110 131 HD1 HIS 16 HD1 HIS 16 7.400 8.290 14.676 132 HD2 HIS 16 HD2 HIS 16 3.929 8.733 12.430 133 HE1 HIS 16 HE1 HIS 16 5.510 7.923 16.279 134 HE2 HIS 16 HE2 HIS 16 3.434 8.387 14.942 135 H ALA 17 H ALA 17 6.332 11.041 9.363 136 HA ALA 17 HA ALA 17 8.703 10.399 7.733 137 HB1 ALA 17 HB1 ALA 17 6.074 11.359 6.548 138 HB2 ALA 17 HB2 ALA 17 6.733 9.731 6.396 139 HB3 ALA 17 HB3 ALA 17 7.583 11.093 5.663 140 H ILE 18 H ILE 18 9.406 12.293 6.468 141 HA ILE 18 HA ILE 18 8.928 14.938 7.731 142 HB ILE 18 HB ILE 18 11.604 13.698 6.893 143 HG12 ILE 18 HG12 ILE 18 10.834 12.873 9.089 144 HG13 ILE 18 HG13 ILE 18 12.254 13.891 9.286 145 HG21 ILE 18 HG21 ILE 18 11.672 16.073 6.325 146 HG22 ILE 18 HG22 ILE 18 12.732 15.747 7.698 147 HG23 ILE 18 HG23 ILE 18 11.160 16.509 7.958 148 HD11 ILE 18 HD11 ILE 18 10.628 14.309 11.031 149 HD12 ILE 18 HD12 ILE 18 9.393 14.701 9.838 150 HD13 ILE 18 HD13 ILE 18 10.807 15.744 10.023 151 H THR 19 H THR 19 9.433 16.763 6.177 152 HA THR 19 HA THR 19 8.546 16.605 3.561 153 HB THR 19 HB THR 19 9.821 18.728 3.139 154 HG1 THR 19 HG1 THR 19 11.316 17.785 5.245 155 HG21 THR 19 HG21 THR 19 8.496 18.652 5.881 156 HG22 THR 19 HG22 THR 19 7.657 18.862 4.341 157 HG23 THR 19 HG23 THR 19 8.782 20.096 4.909 158 H SER 20 H SER 20 9.327 15.743 1.710 159 HA SER 20 HA SER 20 10.614 14.826 0.098 160 HB2 SER 20 HB2 SER 20 11.915 16.940 0.222 161 HB3 SER 20 HB3 SER 20 12.955 16.238 1.460 162 HG SER 20 HG SER 20 13.777 14.828 -0.044 163 H GLU 21 H GLU 21 10.076 13.286 2.509 164 HA GLU 21 HA GLU 21 12.385 11.556 2.995 165 HB2 GLU 21 HB2 GLU 21 10.185 12.244 4.519 166 HB3 GLU 21 HB3 GLU 21 9.650 10.690 3.915 167 HG2 GLU 21 HG2 GLU 21 12.235 11.159 5.437 168 HG3 GLU 21 HG3 GLU 21 10.723 10.644 6.180 169 H CYS 22 H CYS 22 12.307 9.170 2.556 170 HA CYS 22 HA CYS 22 10.751 8.434 0.144 171 HB2 CYS 22 HB2 CYS 22 13.200 7.094 1.357 172 HB3 CYS 22 HB3 CYS 22 12.359 6.549 -0.096 173 HG CYS 22 HG CYS 22 12.960 9.615 -0.722 174 H VAL 23 H VAL 23 8.756 7.898 1.024 175 HA VAL 23 HA VAL 23 8.587 5.883 3.190 176 HB VAL 23 HB VAL 23 6.443 7.730 2.036 177 HG11 VAL 23 HG11 VAL 23 5.003 7.012 3.933 178 HG12 VAL 23 HG12 VAL 23 6.220 5.822 4.401 179 HG13 VAL 23 HG13 VAL 23 5.383 5.666 2.856 180 HG21 VAL 23 HG21 VAL 23 6.605 8.931 4.193 181 HG22 VAL 23 HG22 VAL 23 8.151 8.939 3.343 182 HG23 VAL 23 HG23 VAL 23 7.901 7.845 4.706 183 H MET 24 H MET 24 8.172 3.792 2.675 184 HA MET 24 HA MET 24 6.658 3.139 0.200 185 HB2 MET 24 HB2 MET 24 8.615 1.436 1.792 186 HB3 MET 24 HB3 MET 24 7.599 0.794 0.510 187 HG2 MET 24 HG2 MET 24 8.696 2.378 -1.080 188 HG3 MET 24 HG3 MET 24 9.793 2.857 0.219 189 HE1 MET 24 HE1 MET 24 11.742 2.166 -1.653 190 HE2 MET 24 HE2 MET 24 10.521 1.525 -2.757 191 HE3 MET 24 HE3 MET 24 11.895 0.526 -2.287 192 H LEU 25 H LEU 25 4.599 2.605 0.515 193 HA LEU 25 HA LEU 25 3.672 1.324 3.021 194 HB2 LEU 25 HB2 LEU 25 2.097 2.739 0.827 195 HB3 LEU 25 HB3 LEU 25 1.415 2.077 2.309 196 HG LEU 25 HG LEU 25 3.372 4.407 2.144 197 HD11 LEU 25 HD11 LEU 25 1.493 5.800 2.870 198 HD12 LEU 25 HD12 LEU 25 0.414 4.404 2.814 199 HD13 LEU 25 HD13 LEU 25 1.148 5.019 1.330 200 HD21 LEU 25 HD21 LEU 25 1.997 3.229 4.586 201 HD22 LEU 25 HD22 LEU 25 2.982 4.696 4.559 202 HD23 LEU 25 HD23 LEU 25 3.721 3.136 4.212 203 H ALA 26 H ALA 26 3.850 -0.873 2.712 204 HA ALA 26 HA ALA 26 3.285 -2.077 0.097 205 HB1 ALA 26 HB1 ALA 26 4.509 -3.319 2.582 206 HB2 ALA 26 HB2 ALA 26 5.399 -2.678 1.200 207 HB3 ALA 26 HB3 ALA 26 4.360 -4.090 0.997 208 H CYS 27 H CYS 27 1.767 -3.644 -0.225 209 HA CYS 27 HA CYS 27 0.009 -4.624 1.867 210 HB2 CYS 27 HB2 CYS 27 -1.087 -2.489 1.321 211 HB3 CYS 27 HB3 CYS 27 -1.063 -2.874 -0.399 212 HG CYS 27 HG CYS 27 -2.577 -5.335 1.107 213 H GLU 28 H GLU 28 0.067 -6.742 1.414 214 HA GLU 28 HA GLU 28 -0.133 -7.668 -1.392 215 HB2 GLU 28 HB2 GLU 28 1.126 -8.894 1.070 216 HB3 GLU 28 HB3 GLU 28 0.550 -9.955 -0.206 217 HG2 GLU 28 HG2 GLU 28 2.894 -9.593 -0.537 218 HG3 GLU 28 HG3 GLU 28 2.023 -8.781 -1.829 219 H VAL 29 H VAL 29 -1.856 -8.723 -2.075 220 HA VAL 29 HA VAL 29 -4.266 -8.774 -0.530 221 HB VAL 29 HB VAL 29 -5.311 -9.733 -2.597 222 HG11 VAL 29 HG11 VAL 29 -4.940 -7.784 -4.060 223 HG12 VAL 29 HG12 VAL 29 -3.505 -7.345 -3.129 224 HG13 VAL 29 HG13 VAL 29 -5.098 -7.292 -2.373 225 HG21 VAL 29 HG21 VAL 29 -3.965 -10.019 -4.649 226 HG22 VAL 29 HG22 VAL 29 -3.424 -11.120 -3.381 227 HG23 VAL 29 HG23 VAL 29 -2.489 -9.667 -3.743 228 H ASP 30 H ASP 30 -5.725 -10.711 -0.569 229 HA ASP 30 HA ASP 30 -4.504 -13.057 0.600 230 HB2 ASP 30 HB2 ASP 30 -6.606 -12.178 1.495 231 HB3 ASP 30 HB3 ASP 30 -7.388 -12.319 -0.075 232 H ARG 31 H ARG 31 -5.937 -12.167 -2.507 233 HA ARG 31 HA ARG 31 -5.427 -14.878 -3.617 234 HB2 ARG 31 HB2 ARG 31 -7.872 -14.355 -3.317 235 HB3 ARG 31 HB3 ARG 31 -7.684 -12.973 -4.377 236 HG2 ARG 31 HG2 ARG 31 -7.067 -14.493 -6.238 237 HG3 ARG 31 HG3 ARG 31 -7.291 -15.878 -5.164 238 HD2 ARG 31 HD2 ARG 31 -9.669 -15.310 -4.896 239 HD3 ARG 31 HD3 ARG 31 -9.451 -13.874 -5.904 240 HE ARG 31 HE ARG 31 -8.641 -16.160 -7.350 241 HH11 ARG 31 HH11 ARG 31 -11.551 -14.668 -6.207 242 HH12 ARG 31 HH12 ARG 31 -12.525 -15.380 -7.442 243 HH21 ARG 31 HH21 ARG 31 -9.932 -17.068 -8.913 244 HH22 ARG 31 HH22 ARG 31 -11.623 -16.712 -8.938 245 H GLU 32 H GLU 32 -3.839 -14.799 -5.088 246 HA GLU 32 HA GLU 32 -2.488 -12.536 -5.992 247 HB2 GLU 32 HB2 GLU 32 -1.271 -14.068 -7.509 248 HB3 GLU 32 HB3 GLU 32 -1.471 -14.773 -5.908 249 HG2 GLU 32 HG2 GLU 32 -3.347 -16.158 -6.743 250 HG3 GLU 32 HG3 GLU 32 -3.161 -15.452 -8.346 251 H ASP 33 H ASP 33 -5.201 -14.174 -7.459 252 HA ASP 33 HA ASP 33 -5.040 -13.318 -10.123 253 HB2 ASP 33 HB2 ASP 33 -7.547 -13.999 -8.531 254 HB3 ASP 33 HB3 ASP 33 -7.387 -14.038 -10.285 255 H ALA 34 H ALA 34 -5.995 -11.499 -7.319 256 HA ALA 34 HA ALA 34 -6.945 -9.259 -9.013 257 HB1 ALA 34 HB1 ALA 34 -8.739 -8.810 -7.391 258 HB2 ALA 34 HB2 ALA 34 -8.280 -10.252 -6.478 259 HB3 ALA 34 HB3 ALA 34 -8.914 -10.409 -8.118 260 HA PRO 35 HA PRO 35 -3.847 -7.361 -6.111 261 HB2 PRO 35 HB2 PRO 35 -3.124 -5.553 -8.300 262 HB3 PRO 35 HB3 PRO 35 -2.146 -6.824 -7.564 263 HG2 PRO 35 HG2 PRO 35 -3.109 -6.946 -10.141 264 HG3 PRO 35 HG3 PRO 35 -2.735 -8.380 -9.163 265 HD2 PRO 35 HD2 PRO 35 -5.415 -7.081 -9.679 266 HD3 PRO 35 HD3 PRO 35 -4.977 -8.807 -9.679 267 H VAL 36 H VAL 36 -3.554 -4.953 -5.465 268 HA VAL 36 HA VAL 36 -6.218 -3.961 -4.911 269 HB VAL 36 HB VAL 36 -5.327 -2.590 -3.223 270 HG11 VAL 36 HG11 VAL 36 -4.960 -4.938 -2.643 271 HG12 VAL 36 HG12 VAL 36 -3.684 -3.934 -1.951 272 HG13 VAL 36 HG13 VAL 36 -3.363 -4.898 -3.396 273 HG21 VAL 36 HG21 VAL 36 -2.638 -2.599 -4.636 274 HG22 VAL 36 HG22 VAL 36 -2.925 -1.876 -3.054 275 HG23 VAL 36 HG23 VAL 36 -3.749 -1.240 -4.478 276 H ARG 37 H ARG 37 -6.891 -1.748 -5.100 277 HA ARG 37 HA ARG 37 -5.550 -0.038 -7.116 278 HB2 ARG 37 HB2 ARG 37 -8.485 -0.112 -6.257 279 HB3 ARG 37 HB3 ARG 37 -7.797 1.207 -7.190 280 HG2 ARG 37 HG2 ARG 37 -8.944 -0.187 -8.730 281 HG3 ARG 37 HG3 ARG 37 -7.223 -0.470 -8.994 282 HD2 ARG 37 HD2 ARG 37 -8.510 -2.574 -9.070 283 HD3 ARG 37 HD3 ARG 37 -7.361 -2.576 -7.728 284 HE ARG 37 HE ARG 37 -10.002 -1.686 -6.992 285 HH11 ARG 37 HH11 ARG 37 -8.002 -4.510 -7.300 286 HH12 ARG 37 HH12 ARG 37 -9.018 -5.440 -6.261 287 HH21 ARG 37 HH21 ARG 37 -11.224 -2.900 -5.666 288 HH22 ARG 37 HH22 ARG 37 -10.817 -4.548 -5.366 289 H TRP 38 H TRP 38 -4.567 1.745 -6.282 290 HA TRP 38 HA TRP 38 -4.784 2.332 -3.427 291 HB2 TRP 38 HB2 TRP 38 -2.872 3.321 -5.585 292 HB3 TRP 38 HB3 TRP 38 -2.851 3.945 -3.941 293 HD1 TRP 38 HD1 TRP 38 -1.777 0.904 -5.989 294 HE1 TRP 38 HE1 TRP 38 -0.327 -0.615 -4.503 295 HE3 TRP 38 HE3 TRP 38 -2.550 3.178 -1.466 296 HZ2 TRP 38 HZ2 TRP 38 0.390 -0.843 -1.789 297 HZ3 TRP 38 HZ3 TRP 38 -1.447 2.245 0.529 298 HH2 TRP 38 HH2 TRP 38 -0.005 0.274 0.369 299 H TYR 39 H TYR 39 -5.874 3.970 -2.567 300 HA TYR 39 HA TYR 39 -6.660 6.365 -4.138 301 HB2 TYR 39 HB2 TYR 39 -8.316 4.894 -2.038 302 HB3 TYR 39 HB3 TYR 39 -8.735 6.473 -2.689 303 HD1 TYR 39 HD1 TYR 39 -8.349 2.870 -3.581 304 HD2 TYR 39 HD2 TYR 39 -9.897 6.667 -4.790 305 HE1 TYR 39 HE1 TYR 39 -9.615 1.786 -5.383 306 HE2 TYR 39 HE2 TYR 39 -11.160 5.576 -6.591 307 HH TYR 39 HH TYR 39 -11.013 3.479 -7.924 308 H LYS 40 H LYS 40 -7.205 8.247 -2.597 309 HA LYS 40 HA LYS 40 -5.986 8.521 -0.054 310 HB2 LYS 40 HB2 LYS 40 -3.891 8.198 -1.399 311 HB3 LYS 40 HB3 LYS 40 -4.322 9.594 -2.379 312 HG2 LYS 40 HG2 LYS 40 -4.226 10.994 -0.287 313 HG3 LYS 40 HG3 LYS 40 -3.609 9.575 0.567 314 HD2 LYS 40 HD2 LYS 40 -1.666 9.519 -1.010 315 HD3 LYS 40 HD3 LYS 40 -2.287 10.979 -1.789 316 HE2 LYS 40 HE2 LYS 40 -1.432 10.749 1.111 317 HE3 LYS 40 HE3 LYS 40 -0.496 11.499 -0.181 318 HZ1 LYS 40 HZ1 LYS 40 -1.628 13.152 1.111 319 HZ2 LYS 40 HZ2 LYS 40 -3.128 12.420 0.838 320 HZ3 LYS 40 HZ3 LYS 40 -2.280 13.124 -0.450 321 H ASP 41 H ASP 41 -6.859 10.322 0.863 322 HA ASP 41 HA ASP 41 -7.910 12.293 1.225 323 HB2 ASP 41 HB2 ASP 41 -6.143 13.155 -1.097 324 HB3 ASP 41 HB3 ASP 41 -7.004 14.276 -0.049 325 H GLY 42 H GLY 42 -9.250 10.446 -0.750 326 HA2 GLY 42 HA2 GLY 42 -11.602 10.737 -1.234 327 HA3 GLY 42 HA3 GLY 42 -11.281 12.388 -1.721 328 H GLN 43 H GLN 43 -8.823 11.116 -3.229 329 HA GLN 43 HA GLN 43 -10.292 10.147 -5.644 330 HB2 GLN 43 HB2 GLN 43 -7.881 12.030 -5.608 331 HB3 GLN 43 HB3 GLN 43 -8.708 11.436 -7.045 332 HG2 GLN 43 HG2 GLN 43 -10.733 12.679 -6.422 333 HG3 GLN 43 HG3 GLN 43 -9.951 13.234 -4.942 334 HE21 GLN 43 HE21 GLN 43 -10.085 13.593 -8.413 335 HE22 GLN 43 HE22 GLN 43 -9.186 15.065 -8.492 336 H GLU 44 H GLU 44 -8.891 8.793 -7.149 337 HA GLU 44 HA GLU 44 -7.238 6.955 -5.708 338 HB2 GLU 44 HB2 GLU 44 -6.824 5.838 -7.859 339 HB3 GLU 44 HB3 GLU 44 -8.531 6.207 -7.649 340 HG2 GLU 44 HG2 GLU 44 -8.247 8.188 -9.130 341 HG3 GLU 44 HG3 GLU 44 -6.576 7.718 -9.405 342 H VAL 45 H VAL 45 -4.981 6.596 -5.836 343 HA VAL 45 HA VAL 45 -3.512 8.955 -5.387 344 HB VAL 45 HB VAL 45 -2.424 6.130 -5.739 345 HG11 VAL 45 HG11 VAL 45 -0.619 7.786 -5.968 346 HG12 VAL 45 HG12 VAL 45 -0.449 6.900 -4.455 347 HG13 VAL 45 HG13 VAL 45 -1.095 8.544 -4.446 348 HG21 VAL 45 HG21 VAL 45 -3.158 7.601 -3.184 349 HG22 VAL 45 HG22 VAL 45 -2.469 5.979 -3.285 350 HG23 VAL 45 HG23 VAL 45 -4.083 6.293 -3.919 351 H GLU 46 H GLU 46 -3.018 6.508 -7.902 352 HA GLU 46 HA GLU 46 -2.089 6.438 -9.950 353 HB2 GLU 46 HB2 GLU 46 -2.531 9.450 -10.010 354 HB3 GLU 46 HB3 GLU 46 -2.166 8.443 -11.410 355 HG2 GLU 46 HG2 GLU 46 -4.295 7.221 -11.070 356 HG3 GLU 46 HG3 GLU 46 -4.659 8.253 -9.688 357 H GLU 47 H GLU 47 -0.221 7.116 -11.330 358 HA GLU 47 HA GLU 47 2.140 7.860 -9.713 359 HB2 GLU 47 HB2 GLU 47 1.992 6.605 -12.490 360 HB3 GLU 47 HB3 GLU 47 3.467 6.882 -11.563 361 HG2 GLU 47 HG2 GLU 47 2.613 5.314 -9.814 362 HG3 GLU 47 HG3 GLU 47 1.213 4.982 -10.835 363 H SER 48 H SER 48 3.735 9.340 -10.590 364 HA SER 48 HA SER 48 3.142 10.970 -12.931 365 HB2 SER 48 HB2 SER 48 3.185 12.303 -10.181 366 HB3 SER 48 HB3 SER 48 3.232 13.170 -11.714 367 HG SER 48 HG SER 48 1.147 11.685 -11.935 368 H ASP 49 H ASP 49 5.051 11.156 -9.933 369 HA ASP 49 HA ASP 49 7.627 10.844 -11.029 370 HB2 ASP 49 HB2 ASP 49 7.174 13.022 -12.147 371 HB3 ASP 49 HB3 ASP 49 6.774 13.756 -10.598 372 H PHE 50 H PHE 50 6.039 13.023 -8.660 373 HA PHE 50 HA PHE 50 7.691 12.418 -6.434 374 HB2 PHE 50 HB2 PHE 50 4.847 13.518 -6.536 375 HB3 PHE 50 HB3 PHE 50 5.809 13.431 -5.066 376 HD1 PHE 50 HD1 PHE 50 7.820 14.878 -4.796 377 HD2 PHE 50 HD2 PHE 50 5.249 15.264 -8.190 378 HE1 PHE 50 HE1 PHE 50 8.781 17.091 -5.279 379 HE2 PHE 50 HE2 PHE 50 6.213 17.477 -8.662 380 HZ PHE 50 HZ PHE 50 7.980 18.393 -7.209 381 H VAL 51 H VAL 51 4.756 10.902 -7.702 382 HA VAL 51 HA VAL 51 4.952 8.783 -5.625 383 HB VAL 51 HB VAL 51 2.487 9.322 -7.341 384 HG11 VAL 51 HG11 VAL 51 2.821 7.742 -4.757 385 HG12 VAL 51 HG12 VAL 51 2.682 7.048 -6.375 386 HG13 VAL 51 HG13 VAL 51 1.330 7.933 -5.676 387 HG21 VAL 51 HG21 VAL 51 3.004 10.366 -4.531 388 HG22 VAL 51 HG22 VAL 51 1.466 10.461 -5.391 389 HG23 VAL 51 HG23 VAL 51 2.872 11.339 -5.998 390 H VAL 52 H VAL 52 5.442 6.737 -6.305 391 HA VAL 52 HA VAL 52 4.688 5.866 -9.033 392 HB VAL 52 HB VAL 52 6.745 4.399 -9.130 393 HG11 VAL 52 HG11 VAL 52 8.313 6.162 -9.853 394 HG12 VAL 52 HG12 VAL 52 7.340 7.381 -9.026 395 HG13 VAL 52 HG13 VAL 52 6.671 6.510 -10.406 396 HG21 VAL 52 HG21 VAL 52 8.702 4.935 -7.694 397 HG22 VAL 52 HG22 VAL 52 7.344 4.340 -6.741 398 HG23 VAL 52 HG23 VAL 52 7.709 6.066 -6.767 399 H LEU 53 H LEU 53 3.825 3.809 -9.164 400 HA LEU 53 HA LEU 53 3.242 2.401 -6.613 401 HB2 LEU 53 HB2 LEU 53 1.623 2.445 -9.203 402 HB3 LEU 53 HB3 LEU 53 1.186 1.557 -7.750 403 HG LEU 53 HG LEU 53 1.334 4.599 -7.968 404 HD11 LEU 53 HD11 LEU 53 -0.580 3.708 -9.220 405 HD12 LEU 53 HD12 LEU 53 -1.109 4.586 -7.789 406 HD13 LEU 53 HD13 LEU 53 -1.121 2.820 -7.790 407 HD21 LEU 53 HD21 LEU 53 0.319 4.639 -5.725 408 HD22 LEU 53 HD22 LEU 53 1.889 3.844 -5.701 409 HD23 LEU 53 HD23 LEU 53 0.414 2.876 -5.640 410 H GLU 54 H GLU 54 4.157 0.425 -6.400 411 HA GLU 54 HA GLU 54 5.355 -0.936 -8.725 412 HB2 GLU 54 HB2 GLU 54 5.758 -1.494 -5.757 413 HB3 GLU 54 HB3 GLU 54 6.685 -2.189 -7.082 414 HG2 GLU 54 HG2 GLU 54 6.669 0.714 -6.201 415 HG3 GLU 54 HG3 GLU 54 7.965 -0.453 -5.954 416 H ASN 55 H ASN 55 4.744 -2.963 -9.397 417 HA ASN 55 HA ASN 55 2.858 -4.570 -7.784 418 HB2 ASN 55 HB2 ASN 55 1.438 -3.484 -9.422 419 HB3 ASN 55 HB3 ASN 55 2.550 -3.858 -10.735 420 HD21 ASN 55 HD21 ASN 55 2.503 -5.932 -11.646 421 HD22 ASN 55 HD22 ASN 55 1.249 -7.068 -11.308 422 H GLU 56 H GLU 56 3.366 -6.669 -7.660 423 HA GLU 56 HA GLU 56 4.838 -8.056 -9.788 424 HB2 GLU 56 HB2 GLU 56 6.590 -7.374 -8.135 425 HB3 GLU 56 HB3 GLU 56 5.675 -8.139 -6.844 426 HG2 GLU 56 HG2 GLU 56 5.995 -10.354 -8.049 427 HG3 GLU 56 HG3 GLU 56 7.076 -9.518 -9.165 428 H GLY 57 H GLY 57 2.688 -8.857 -10.188 429 HA2 GLY 57 HA2 GLY 57 0.876 -10.243 -10.016 430 HA3 GLY 57 HA3 GLY 57 1.870 -11.246 -8.975 431 HA PRO 58 HA PRO 58 -1.123 -9.985 -5.726 432 HB2 PRO 58 HB2 PRO 58 0.032 -11.269 -3.607 433 HB3 PRO 58 HB3 PRO 58 -0.875 -12.130 -4.857 434 HG2 PRO 58 HG2 PRO 58 2.111 -11.755 -4.613 435 HG3 PRO 58 HG3 PRO 58 1.200 -13.247 -4.928 436 HD2 PRO 58 HD2 PRO 58 2.370 -11.849 -6.932 437 HD3 PRO 58 HD3 PRO 58 0.822 -12.694 -7.170 438 H HIS 59 H HIS 59 2.288 -9.209 -5.789 439 HA HIS 59 HA HIS 59 2.384 -7.658 -3.352 440 HB2 HIS 59 HB2 HIS 59 4.328 -7.733 -5.696 441 HB3 HIS 59 HB3 HIS 59 4.624 -6.887 -4.183 442 HD1 HIS 59 HD1 HIS 59 6.171 -8.153 -2.757 443 HD2 HIS 59 HD2 HIS 59 3.803 -10.698 -5.025 444 HE1 HIS 59 HE1 HIS 59 6.951 -10.464 -2.200 445 HE2 HIS 59 HE2 HIS 59 5.660 -11.960 -3.747 446 H ARG 60 H ARG 60 1.851 -5.573 -3.059 447 HA ARG 60 HA ARG 60 1.713 -3.641 -5.282 448 HB2 ARG 60 HB2 ARG 60 -0.607 -4.520 -3.537 449 HB3 ARG 60 HB3 ARG 60 -0.568 -2.873 -4.150 450 HG2 ARG 60 HG2 ARG 60 -0.431 -5.326 -5.926 451 HG3 ARG 60 HG3 ARG 60 -1.931 -4.487 -5.511 452 HD2 ARG 60 HD2 ARG 60 -1.102 -2.426 -6.561 453 HD3 ARG 60 HD3 ARG 60 0.447 -3.206 -6.911 454 HE ARG 60 HE ARG 60 -0.951 -4.815 -8.276 455 HH11 ARG 60 HH11 ARG 60 -1.994 -1.540 -7.878 456 HH12 ARG 60 HH12 ARG 60 -2.654 -1.460 -9.467 457 HH21 ARG 60 HH21 ARG 60 -1.792 -4.680 -10.287 458 HH22 ARG 60 HH22 ARG 60 -2.549 -3.218 -10.815 459 H ARG 61 H ARG 61 3.041 -2.011 -4.611 460 HA ARG 61 HA ARG 61 2.721 -0.978 -1.874 461 HB2 ARG 61 HB2 ARG 61 5.272 -0.890 -1.621 462 HB3 ARG 61 HB3 ARG 61 4.475 -2.445 -1.433 463 HG2 ARG 61 HG2 ARG 61 5.114 -2.874 -3.900 464 HG3 ARG 61 HG3 ARG 61 6.198 -1.490 -3.722 465 HD2 ARG 61 HD2 ARG 61 7.388 -3.610 -3.300 466 HD3 ARG 61 HD3 ARG 61 7.339 -2.611 -1.843 467 HE ARG 61 HE ARG 61 5.130 -4.363 -1.818 468 HH11 ARG 61 HH11 ARG 61 8.577 -4.571 -1.476 469 HH12 ARG 61 HH12 ARG 61 8.471 -5.976 -0.473 470 HH21 ARG 61 HH21 ARG 61 5.048 -6.130 -0.526 471 HH22 ARG 61 HH22 ARG 61 6.519 -6.834 0.058 472 H LEU 62 H LEU 62 2.556 1.071 -1.778 473 HA LEU 62 HA LEU 62 3.033 2.868 -3.989 474 HB2 LEU 62 HB2 LEU 62 1.021 2.854 -2.446 475 HB3 LEU 62 HB3 LEU 62 2.049 3.445 -1.157 476 HG LEU 62 HG LEU 62 1.666 5.025 -3.734 477 HD11 LEU 62 HD11 LEU 62 -0.072 5.192 -1.252 478 HD12 LEU 62 HD12 LEU 62 -0.569 4.603 -2.839 479 HD13 LEU 62 HD13 LEU 62 -0.130 6.295 -2.632 480 HD21 LEU 62 HD21 LEU 62 3.516 5.798 -2.326 481 HD22 LEU 62 HD22 LEU 62 2.440 5.913 -0.931 482 HD23 LEU 62 HD23 LEU 62 2.210 6.979 -2.322 483 H VAL 63 H VAL 63 5.160 3.425 -4.316 484 HA VAL 63 HA VAL 63 6.909 4.058 -2.033 485 HB VAL 63 HB VAL 63 7.582 3.891 -5.005 486 HG11 VAL 63 HG11 VAL 63 9.161 5.352 -3.819 487 HG12 VAL 63 HG12 VAL 63 9.953 3.847 -4.281 488 HG13 VAL 63 HG13 VAL 63 9.450 4.099 -2.608 489 HG21 VAL 63 HG21 VAL 63 8.082 1.835 -2.814 490 HG22 VAL 63 HG22 VAL 63 8.622 1.712 -4.490 491 HG23 VAL 63 HG23 VAL 63 6.899 1.693 -4.118 492 H LEU 64 H LEU 64 7.539 6.105 -1.545 493 HA LEU 64 HA LEU 64 6.665 8.375 -3.243 494 HB2 LEU 64 HB2 LEU 64 5.448 7.709 -0.866 495 HB3 LEU 64 HB3 LEU 64 6.709 8.758 -0.263 496 HG LEU 64 HG LEU 64 4.852 10.182 -0.501 497 HD11 LEU 64 HD11 LEU 64 6.372 10.575 -3.083 498 HD12 LEU 64 HD12 LEU 64 6.839 11.183 -1.496 499 HD13 LEU 64 HD13 LEU 64 5.365 11.772 -2.260 500 HD21 LEU 64 HD21 LEU 64 4.263 8.976 -3.219 501 HD22 LEU 64 HD22 LEU 64 3.356 10.276 -2.437 502 HD23 LEU 64 HD23 LEU 64 3.381 8.669 -1.717 503 HA PRO 65 HA PRO 65 11.331 8.716 -2.743 504 HB2 PRO 65 HB2 PRO 65 11.570 10.445 -4.932 505 HB3 PRO 65 HB3 PRO 65 11.629 8.682 -5.028 506 HG2 PRO 65 HG2 PRO 65 9.254 10.512 -5.433 507 HG3 PRO 65 HG3 PRO 65 9.815 9.177 -6.459 508 HD2 PRO 65 HD2 PRO 65 7.795 8.751 -4.815 509 HD3 PRO 65 HD3 PRO 65 9.082 7.522 -4.916 510 H ALA 66 H ALA 66 9.220 11.564 -3.515 511 HA ALA 66 HA ALA 66 10.681 13.140 -1.451 512 HB1 ALA 66 HB1 ALA 66 10.166 15.165 -2.748 513 HB2 ALA 66 HB2 ALA 66 9.341 14.193 -3.969 514 HB3 ALA 66 HB3 ALA 66 11.078 14.013 -3.725 515 H THR 67 H THR 67 9.263 12.390 0.191 516 HA THR 67 HA THR 67 6.395 12.621 -0.029 517 HB THR 67 HB THR 67 8.014 12.030 2.494 518 HG1 THR 67 HG1 THR 67 8.149 10.579 0.469 519 HG21 THR 67 HG21 THR 67 5.112 11.391 1.816 520 HG22 THR 67 HG22 THR 67 5.648 12.620 2.961 521 HG23 THR 67 HG23 THR 67 5.957 10.918 3.293 522 H GLN 68 H GLN 68 5.909 14.732 -0.401 523 HA GLN 68 HA GLN 68 6.668 16.942 1.325 524 HB2 GLN 68 HB2 GLN 68 4.530 16.810 -0.848 525 HB3 GLN 68 HB3 GLN 68 5.273 18.271 -0.199 526 HG2 GLN 68 HG2 GLN 68 7.386 17.740 -1.258 527 HG3 GLN 68 HG3 GLN 68 6.801 16.149 -1.744 528 HE21 GLN 68 HE21 GLN 68 5.200 16.024 -3.399 529 HE22 GLN 68 HE22 GLN 68 5.015 17.298 -4.551 530 HA PRO 69 HA PRO 69 3.277 16.819 4.364 531 HB2 PRO 69 HB2 PRO 69 2.137 19.393 4.085 532 HB3 PRO 69 HB3 PRO 69 3.504 18.971 5.121 533 HG2 PRO 69 HG2 PRO 69 3.518 20.123 2.336 534 HG3 PRO 69 HG3 PRO 69 4.532 20.551 3.732 535 HD2 PRO 69 HD2 PRO 69 5.526 19.033 1.785 536 HD3 PRO 69 HD3 PRO 69 5.889 18.628 3.482 537 H SER 70 H SER 70 2.411 17.838 1.063 538 HA SER 70 HA SER 70 -0.400 17.229 1.279 539 HB2 SER 70 HB2 SER 70 1.386 17.568 -1.162 540 HB3 SER 70 HB3 SER 70 -0.370 17.389 -1.234 541 HG SER 70 HG SER 70 -0.626 19.369 -0.448 542 H ASP 71 H ASP 71 2.478 15.383 0.259 543 HA ASP 71 HA ASP 71 1.050 13.059 -0.665 544 HB2 ASP 71 HB2 ASP 71 3.983 13.463 0.050 545 HB3 ASP 71 HB3 ASP 71 3.338 12.000 -0.695 546 H GLY 72 H GLY 72 1.559 14.160 2.479 547 HA2 GLY 72 HA2 GLY 72 1.489 11.513 3.754 548 HA3 GLY 72 HA3 GLY 72 1.488 13.072 4.565 549 H GLY 73 H GLY 73 -0.199 11.420 5.658 550 HA2 GLY 73 HA2 GLY 73 -2.408 11.986 6.444 551 HA3 GLY 73 HA3 GLY 73 -2.880 12.368 4.795 552 H GLU 74 H GLU 74 -4.597 10.973 4.578 553 HA GLU 74 HA GLU 74 -4.419 8.192 5.533 554 HB2 GLU 74 HB2 GLU 74 -6.817 9.800 4.559 555 HB3 GLU 74 HB3 GLU 74 -6.888 8.181 5.252 556 HG2 GLU 74 HG2 GLU 74 -6.070 9.040 7.404 557 HG3 GLU 74 HG3 GLU 74 -5.918 10.658 6.720 558 H PHE 75 H PHE 75 -4.228 6.491 4.201 559 HA PHE 75 HA PHE 75 -4.684 6.762 1.274 560 HB2 PHE 75 HB2 PHE 75 -2.739 4.889 2.700 561 HB3 PHE 75 HB3 PHE 75 -2.982 4.983 0.962 562 HD1 PHE 75 HD2 PHE 75 -1.903 7.080 3.889 563 HD2 PHE 75 HD1 PHE 75 -1.565 6.377 -0.313 564 HE1 PHE 75 HE2 PHE 75 -0.080 8.721 3.755 565 HE2 PHE 75 HE1 PHE 75 0.266 8.015 -0.434 566 HZ PHE 75 HZ PHE 75 1.013 9.185 1.600 567 H GLN 76 H GLN 76 -6.194 5.457 0.422 568 HA GLN 76 HA GLN 76 -7.384 3.243 1.989 569 HB2 GLN 76 HB2 GLN 76 -8.931 5.072 1.480 570 HB3 GLN 76 HB3 GLN 76 -8.501 5.023 -0.220 571 HG2 GLN 76 HG2 GLN 76 -10.626 4.022 -0.074 572 HG3 GLN 76 HG3 GLN 76 -9.499 2.692 -0.296 573 HE21 GLN 76 HE21 GLN 76 -12.168 2.613 0.757 574 HE22 GLN 76 HE22 GLN 76 -12.060 1.969 2.351 575 H CYS 77 H CYS 77 -6.266 1.425 1.374 576 HA CYS 77 HA CYS 77 -5.649 0.873 -1.472 577 HB2 CYS 77 HB2 CYS 77 -3.768 0.646 0.050 578 HB3 CYS 77 HB3 CYS 77 -4.694 -0.400 1.121 579 HG CYS 77 HG CYS 77 -4.342 -2.637 -0.169 580 H VAL 78 H VAL 78 -7.310 -0.201 -2.536 581 HA VAL 78 HA VAL 78 -9.186 -1.867 -0.934 582 HB VAL 78 HB VAL 78 -9.786 -0.665 -3.669 583 HG11 VAL 78 HG11 VAL 78 -11.632 -1.572 -1.430 584 HG12 VAL 78 HG12 VAL 78 -11.325 -2.432 -2.938 585 HG13 VAL 78 HG13 VAL 78 -12.151 -0.873 -2.968 586 HG21 VAL 78 HG21 VAL 78 -9.142 1.204 -2.227 587 HG22 VAL 78 HG22 VAL 78 -10.270 0.667 -0.980 588 HG23 VAL 78 HG23 VAL 78 -10.879 1.242 -2.533 589 H ALA 79 H ALA 79 -9.366 -4.036 -1.325 590 HA ALA 79 HA ALA 79 -9.289 -5.068 -4.033 591 HB1 ALA 79 HB1 ALA 79 -7.271 -6.197 -2.063 592 HB2 ALA 79 HB2 ALA 79 -6.896 -5.181 -3.452 593 HB3 ALA 79 HB3 ALA 79 -7.585 -6.784 -3.700 594 H GLY 80 H GLY 80 -11.235 -6.020 -3.985 595 HA2 GLY 80 HA2 GLY 80 -12.794 -7.668 -3.699 596 HA3 GLY 80 HA3 GLY 80 -11.572 -8.578 -2.837 597 H ASP 81 H ASP 81 -13.748 -5.797 -2.383 598 HA ASP 81 HA ASP 81 -15.162 -5.130 -0.755 599 HB2 ASP 81 HB2 ASP 81 -16.004 -7.473 -0.831 600 HB3 ASP 81 HB3 ASP 81 -14.823 -7.938 0.384 601 H GLU 82 H GLU 82 -11.968 -5.895 -0.074 602 HA GLU 82 HA GLU 82 -12.021 -4.980 2.722 603 HB2 GLU 82 HB2 GLU 82 -10.017 -6.611 1.132 604 HB3 GLU 82 HB3 GLU 82 -9.545 -5.820 2.632 605 HG2 GLU 82 HG2 GLU 82 -11.734 -7.889 2.339 606 HG3 GLU 82 HG3 GLU 82 -10.117 -8.174 2.981 607 H CYS 83 H CYS 83 -10.371 -3.609 3.467 608 HA CYS 83 HA CYS 83 -8.976 -1.875 1.558 609 HB2 CYS 83 HB2 CYS 83 -9.772 0.146 2.838 610 HB3 CYS 83 HB3 CYS 83 -11.050 -0.676 1.953 611 HG CYS 83 HG CYS 83 -12.601 -1.080 3.950 612 H ALA 84 H ALA 84 -6.956 -1.557 2.217 613 HA ALA 84 HA ALA 84 -6.045 -2.351 4.886 614 HB1 ALA 84 HB1 ALA 84 -4.487 -1.695 2.356 615 HB2 ALA 84 HB2 ALA 84 -4.886 -3.311 2.939 616 HB3 ALA 84 HB3 ALA 84 -3.791 -2.286 3.866 617 H TYR 85 H TYR 85 -5.316 -0.858 6.363 618 HA TYR 85 HA TYR 85 -6.054 1.936 5.777 619 HB2 TYR 85 HB2 TYR 85 -5.564 0.667 8.510 620 HB3 TYR 85 HB3 TYR 85 -6.445 2.154 8.158 621 HD1 TYR 85 HD2 TYR 85 -8.689 1.963 6.891 622 HD2 TYR 85 HD1 TYR 85 -6.712 -1.444 8.554 623 HE1 TYR 85 HE2 TYR 85 -10.779 0.677 6.740 624 HE2 TYR 85 HE1 TYR 85 -8.800 -2.735 8.390 625 HH TYR 85 HH TYR 85 -11.460 -1.725 6.579 626 H PHE 86 H PHE 86 -4.483 3.413 5.465 627 HA PHE 86 HA PHE 86 -1.887 3.207 6.909 628 HB2 PHE 86 HB2 PHE 86 -2.249 4.169 4.031 629 HB3 PHE 86 HB3 PHE 86 -0.736 4.165 4.925 630 HD1 PHE 86 HD2 PHE 86 0.415 2.003 5.429 631 HD2 PHE 86 HD1 PHE 86 -3.091 2.149 2.983 632 HE1 PHE 86 HE2 PHE 86 0.916 -0.246 4.567 633 HE2 PHE 86 HE1 PHE 86 -2.581 -0.102 2.134 634 HZ PHE 86 HZ PHE 86 -0.581 -1.299 2.918 635 H THR 87 H THR 87 -1.152 5.101 7.808 636 HA THR 87 HA THR 87 -2.278 7.711 7.066 637 HB THR 87 HB THR 87 -2.241 6.762 9.979 638 HG1 THR 87 HG1 THR 87 -4.088 6.286 8.214 639 HG21 THR 87 HG21 THR 87 -3.326 8.904 10.510 640 HG22 THR 87 HG22 THR 87 -3.245 9.390 8.816 641 HG23 THR 87 HG23 THR 87 -1.759 9.196 9.748 642 H VAL 88 H VAL 88 -0.415 8.617 6.386 643 HA VAL 88 HA VAL 88 2.112 8.210 7.834 644 HB VAL 88 HB VAL 88 1.581 9.493 5.110 645 HG11 VAL 88 HG11 VAL 88 4.044 9.412 4.767 646 HG12 VAL 88 HG12 VAL 88 4.260 8.854 6.429 647 HG13 VAL 88 HG13 VAL 88 3.615 10.466 6.116 648 HG21 VAL 88 HG21 VAL 88 2.764 6.769 5.802 649 HG22 VAL 88 HG22 VAL 88 2.608 7.439 4.177 650 HG23 VAL 88 HG23 VAL 88 1.163 7.063 5.114 651 H THR 89 H THR 89 2.307 9.577 9.532 652 HA THR 89 HA THR 89 1.299 12.320 9.484 653 HB THR 89 HB THR 89 2.790 10.879 11.731 654 HG1 THR 89 HG1 THR 89 0.689 10.492 12.553 655 HG21 THR 89 HG21 THR 89 1.013 13.362 11.813 656 HG22 THR 89 HG22 THR 89 2.771 13.361 11.985 657 HG23 THR 89 HG23 THR 89 1.763 12.583 13.208 658 H ILE 90 H ILE 90 2.548 13.936 8.689 659 HA ILE 90 HA ILE 90 5.505 13.684 8.651 660 HB ILE 90 HB ILE 90 3.667 15.506 7.035 661 HG12 ILE 90 HG12 ILE 90 5.252 13.032 6.184 662 HG13 ILE 90 HG13 ILE 90 3.504 13.112 6.389 663 HG21 ILE 90 HG21 ILE 90 6.692 15.183 6.796 664 HG22 ILE 90 HG22 ILE 90 5.843 16.615 7.383 665 HG23 ILE 90 HG23 ILE 90 5.671 16.119 5.699 666 HD11 ILE 90 HD11 ILE 90 3.382 14.727 4.548 667 HD12 ILE 90 HD12 ILE 90 4.092 13.188 4.069 668 HD13 ILE 90 HD13 ILE 90 5.130 14.587 4.331 Start of MODEL 14 1 H HIS 1 H1 HIS 1 -15.870 -19.019 -4.725 2 HA HIS 1 HA HIS 1 -13.630 -18.208 -4.919 3 HB2 HIS 1 HB2 HIS 1 -14.804 -16.083 -6.775 4 HB3 HIS 1 HB3 HIS 1 -13.125 -16.184 -6.254 5 HD1 HIS 1 HD1 HIS 1 -15.477 -17.408 -8.811 6 HD2 HIS 1 HD2 HIS 1 -11.675 -18.405 -7.451 7 HE1 HIS 1 HE1 HIS 1 -14.508 -18.906 -10.566 8 HE2 HIS 1 HE2 HIS 1 -12.255 -19.571 -9.687 9 H MET 2 H MET 2 -13.034 -16.877 -3.204 10 HA MET 2 HA MET 2 -15.116 -15.506 -1.712 11 HB2 MET 2 HB2 MET 2 -12.121 -15.634 -1.136 12 HB3 MET 2 HB3 MET 2 -13.363 -15.077 -0.023 13 HG2 MET 2 HG2 MET 2 -12.771 -17.255 0.681 14 HG3 MET 2 HG3 MET 2 -14.331 -17.425 -0.124 15 HE1 MET 2 HE1 MET 2 -10.703 -17.007 -1.728 16 HE2 MET 2 HE2 MET 2 -10.274 -18.701 -1.960 17 HE3 MET 2 HE3 MET 2 -10.461 -18.056 -0.330 18 HA PRO 3 HA PRO 3 -14.161 -11.205 -3.091 19 HB2 PRO 3 HB2 PRO 3 -14.543 -10.570 -0.162 20 HB3 PRO 3 HB3 PRO 3 -15.263 -9.787 -1.580 21 HG2 PRO 3 HG2 PRO 3 -16.730 -11.437 -0.075 22 HG3 PRO 3 HG3 PRO 3 -16.885 -11.469 -1.847 23 HD2 PRO 3 HD2 PRO 3 -15.408 -13.378 -0.034 24 HD3 PRO 3 HD3 PRO 3 -16.399 -13.726 -1.468 25 H VAL 4 H VAL 4 -12.120 -10.331 -3.289 26 HA VAL 4 HA VAL 4 -9.933 -11.660 -2.059 27 HB VAL 4 HB VAL 4 -9.663 -10.928 -4.315 28 HG11 VAL 4 HG11 VAL 4 -10.036 -8.066 -3.386 29 HG12 VAL 4 HG12 VAL 4 -11.173 -9.008 -4.349 30 HG13 VAL 4 HG13 VAL 4 -9.606 -8.568 -5.020 31 HG21 VAL 4 HG21 VAL 4 -7.597 -10.976 -2.956 32 HG22 VAL 4 HG22 VAL 4 -7.805 -9.267 -2.564 33 HG23 VAL 4 HG23 VAL 4 -7.495 -9.759 -4.229 34 H HIS 5 H HIS 5 -9.505 -11.417 0.003 35 HA HIS 5 HA HIS 5 -9.644 -8.794 1.354 36 HB2 HIS 5 HB2 HIS 5 -9.473 -11.609 2.522 37 HB3 HIS 5 HB3 HIS 5 -9.655 -10.121 3.448 38 HD1 HIS 5 HD1 HIS 5 -11.671 -12.755 2.892 39 HD2 HIS 5 HD2 HIS 5 -12.164 -8.759 1.864 40 HE1 HIS 5 HE1 HIS 5 -14.144 -12.411 2.695 41 HE2 HIS 5 HE2 HIS 5 -14.414 -9.950 2.286 42 H ILE 6 H ILE 6 -7.903 -8.623 3.197 43 HA ILE 6 HA ILE 6 -5.294 -8.866 1.798 44 HB ILE 6 HB ILE 6 -6.208 -6.834 3.885 45 HG12 ILE 6 HG12 ILE 6 -5.775 -6.537 0.865 46 HG13 ILE 6 HG13 ILE 6 -7.342 -6.590 1.660 47 HG21 ILE 6 HG21 ILE 6 -4.110 -5.610 3.359 48 HG22 ILE 6 HG22 ILE 6 -3.609 -6.922 2.292 49 HG23 ILE 6 HG23 ILE 6 -3.765 -7.207 4.025 50 HD11 ILE 6 HD11 ILE 6 -6.840 -4.470 2.767 51 HD12 ILE 6 HD12 ILE 6 -6.739 -4.347 1.012 52 HD13 ILE 6 HD13 ILE 6 -5.264 -4.430 1.971 53 H VAL 7 H VAL 7 -3.754 -10.129 2.645 54 HA VAL 7 HA VAL 7 -4.192 -11.546 5.151 55 HB VAL 7 HB VAL 7 -2.110 -12.842 4.515 56 HG11 VAL 7 HG11 VAL 7 -4.293 -12.736 2.398 57 HG12 VAL 7 HG12 VAL 7 -4.328 -13.680 3.888 58 HG13 VAL 7 HG13 VAL 7 -3.152 -14.065 2.633 59 HG21 VAL 7 HG21 VAL 7 -0.943 -11.103 3.179 60 HG22 VAL 7 HG22 VAL 7 -2.199 -11.202 1.943 61 HG23 VAL 7 HG23 VAL 7 -1.151 -12.589 2.251 62 H ASP 8 H ASP 8 -1.797 -9.230 3.896 63 HA ASP 8 HA ASP 8 -1.151 -8.274 6.534 64 HB2 ASP 8 HB2 ASP 8 0.320 -10.329 6.319 65 HB3 ASP 8 HB3 ASP 8 1.103 -9.578 4.932 66 HA PRO 9 HA PRO 9 -0.670 -6.411 7.408 67 HB2 PRO 9 HB2 PRO 9 -1.519 -3.852 7.601 68 HB3 PRO 9 HB3 PRO 9 0.185 -4.249 7.348 69 HG2 PRO 9 HG2 PRO 9 -1.877 -3.398 5.318 70 HG3 PRO 9 HG3 PRO 9 -0.212 -2.811 5.532 71 HD2 PRO 9 HD2 PRO 9 -0.909 -4.704 3.664 72 HD3 PRO 9 HD3 PRO 9 0.703 -4.628 4.407 73 H ARG 10 H ARG 10 -2.418 -7.368 8.226 74 HA ARG 10 HA ARG 10 -5.061 -7.241 7.028 75 HB2 ARG 10 HB2 ARG 10 -3.755 -9.274 8.111 76 HB3 ARG 10 HB3 ARG 10 -4.359 -8.656 9.635 77 HG2 ARG 10 HG2 ARG 10 -6.295 -9.259 7.399 78 HG3 ARG 10 HG3 ARG 10 -5.614 -10.584 8.337 79 HD2 ARG 10 HD2 ARG 10 -7.201 -8.259 9.477 80 HD3 ARG 10 HD3 ARG 10 -7.817 -9.884 9.183 81 HE ARG 10 HE ARG 10 -6.196 -10.689 10.852 82 HH11 ARG 10 HH11 ARG 10 -6.975 -7.313 11.004 83 HH12 ARG 10 HH12 ARG 10 -6.695 -7.239 12.706 84 HH21 ARG 10 HH21 ARG 10 -5.829 -10.537 13.004 85 HH22 ARG 10 HH22 ARG 10 -6.035 -9.023 13.816 86 H GLU 11 H GLU 11 -3.558 -5.015 8.837 87 HA GLU 11 HA GLU 11 -5.961 -4.113 10.309 88 HB2 GLU 11 HB2 GLU 11 -4.588 -3.534 12.274 89 HB3 GLU 11 HB3 GLU 11 -4.492 -5.257 11.928 90 HG2 GLU 11 HG2 GLU 11 -2.278 -4.962 10.895 91 HG3 GLU 11 HG3 GLU 11 -2.366 -3.220 11.164 92 H HIS 12 H HIS 12 -5.142 -1.798 11.388 93 HA HIS 12 HA HIS 12 -4.670 -0.017 9.113 94 HB2 HIS 12 HB2 HIS 12 -5.290 0.674 12.025 95 HB3 HIS 12 HB3 HIS 12 -5.371 1.768 10.646 96 HD1 HIS 12 HD1 HIS 12 -7.334 -0.746 12.511 97 HD2 HIS 12 HD2 HIS 12 -7.595 1.281 8.899 98 HE1 HIS 12 HE1 HIS 12 -9.673 -1.120 11.702 99 HE2 HIS 12 HE2 HIS 12 -9.863 0.295 9.635 100 H VAL 13 H VAL 13 -2.591 0.516 8.616 101 HA VAL 13 HA VAL 13 -0.454 0.407 10.637 102 HB VAL 13 HB VAL 13 -0.247 0.899 7.624 103 HG11 VAL 13 HG11 VAL 13 1.952 0.293 9.648 104 HG12 VAL 13 HG12 VAL 13 1.695 1.831 8.823 105 HG13 VAL 13 HG13 VAL 13 2.172 0.409 7.897 106 HG21 VAL 13 HG21 VAL 13 -1.121 -1.345 8.100 107 HG22 VAL 13 HG22 VAL 13 0.215 -1.658 9.209 108 HG23 VAL 13 HG23 VAL 13 0.530 -1.449 7.484 109 H PHE 14 H PHE 14 0.380 2.178 11.575 110 HA PHE 14 HA PHE 14 -0.383 4.877 10.620 111 HB2 PHE 14 HB2 PHE 14 0.654 4.046 13.370 112 HB3 PHE 14 HB3 PHE 14 0.019 5.627 12.921 113 HD1 PHE 14 HD2 PHE 14 -2.465 5.786 12.221 114 HD2 PHE 14 HD1 PHE 14 -0.829 2.332 14.148 115 HE1 PHE 14 HE2 PHE 14 -4.728 5.054 12.849 116 HE2 PHE 14 HE1 PHE 14 -3.099 1.604 14.761 117 HZ PHE 14 HZ PHE 14 -5.051 2.966 14.114 118 H VAL 15 H VAL 15 1.141 5.828 9.431 119 HA VAL 15 HA VAL 15 4.019 5.179 9.771 120 HB VAL 15 HB VAL 15 2.556 6.216 7.296 121 HG11 VAL 15 HG11 VAL 15 5.447 5.312 7.579 122 HG12 VAL 15 HG12 VAL 15 4.889 6.959 7.289 123 HG13 VAL 15 HG13 VAL 15 4.651 5.722 6.055 124 HG21 VAL 15 HG21 VAL 15 3.596 3.408 7.854 125 HG22 VAL 15 HG22 VAL 15 2.886 3.958 6.336 126 HG23 VAL 15 HG23 VAL 15 1.899 3.893 7.795 127 H HIS 16 H HIS 16 5.192 6.795 10.701 128 HA HIS 16 HA HIS 16 4.311 9.609 10.526 129 HB2 HIS 16 HB2 HIS 16 6.437 8.275 12.253 130 HB3 HIS 16 HB3 HIS 16 6.038 9.995 12.303 131 HD1 HIS 16 HD1 HIS 16 4.981 6.719 13.598 132 HD2 HIS 16 HD2 HIS 16 3.356 10.527 13.281 133 HE1 HIS 16 HE1 HIS 16 2.984 6.716 15.100 134 HE2 HIS 16 HE2 HIS 16 1.908 8.959 14.741 135 H ALA 17 H ALA 17 5.049 10.698 8.813 136 HA ALA 17 HA ALA 17 7.669 10.022 7.598 137 HB1 ALA 17 HB1 ALA 17 5.203 11.207 6.279 138 HB2 ALA 17 HB2 ALA 17 5.732 9.528 6.173 139 HB3 ALA 17 HB3 ALA 17 6.724 10.807 5.473 140 H ILE 18 H ILE 18 9.149 11.590 7.218 141 HA ILE 18 HA ILE 18 8.493 14.443 7.725 142 HB ILE 18 HB ILE 18 11.251 13.140 7.446 143 HG12 ILE 18 HG12 ILE 18 9.824 13.990 10.020 144 HG13 ILE 18 HG13 ILE 18 10.043 12.326 9.496 145 HG21 ILE 18 HG21 ILE 18 10.511 15.937 8.407 146 HG22 ILE 18 HG22 ILE 18 11.280 15.540 6.870 147 HG23 ILE 18 HG23 ILE 18 12.143 15.260 8.381 148 HD11 ILE 18 HD11 ILE 18 12.472 12.582 9.728 149 HD12 ILE 18 HD12 ILE 18 11.618 12.913 11.233 150 HD13 ILE 18 HD13 ILE 18 12.239 14.249 10.265 151 H THR 19 H THR 19 9.203 16.007 6.066 152 HA THR 19 HA THR 19 8.727 15.200 3.389 153 HB THR 19 HB THR 19 9.386 17.532 2.758 154 HG1 THR 19 HG1 THR 19 9.639 18.693 5.103 155 HG21 THR 19 HG21 THR 19 7.610 18.686 4.019 156 HG22 THR 19 HG22 THR 19 7.579 17.380 5.203 157 HG23 THR 19 HG23 THR 19 7.076 17.072 3.539 158 H SER 20 H SER 20 10.097 15.190 1.576 159 HA SER 20 HA SER 20 11.881 14.744 0.280 160 HB2 SER 20 HB2 SER 20 13.024 16.671 1.369 161 HB3 SER 20 HB3 SER 20 13.658 15.589 2.607 162 HG SER 20 HG SER 20 14.945 14.621 1.118 163 H GLU 21 H GLU 21 11.005 12.911 2.836 164 HA GLU 21 HA GLU 21 13.137 10.915 2.776 165 HB2 GLU 21 HB2 GLU 21 10.496 11.061 4.277 166 HB3 GLU 21 HB3 GLU 21 11.568 9.669 4.376 167 HG2 GLU 21 HG2 GLU 21 12.292 12.502 5.191 168 HG3 GLU 21 HG3 GLU 21 11.823 11.206 6.292 169 H CYS 22 H CYS 22 12.595 8.598 2.462 170 HA CYS 22 HA CYS 22 10.857 8.164 0.114 171 HB2 CYS 22 HB2 CYS 22 13.115 6.465 1.235 172 HB3 CYS 22 HB3 CYS 22 12.159 6.064 -0.191 173 HG CYS 22 HG CYS 22 13.481 9.099 -0.437 174 H VAL 23 H VAL 23 8.814 7.783 0.904 175 HA VAL 23 HA VAL 23 8.372 5.881 3.128 176 HB VAL 23 HB VAL 23 6.445 7.801 1.723 177 HG11 VAL 23 HG11 VAL 23 4.819 7.264 3.528 178 HG12 VAL 23 HG12 VAL 23 5.919 6.029 4.147 179 HG13 VAL 23 HG13 VAL 23 5.197 5.843 2.550 180 HG21 VAL 23 HG21 VAL 23 8.134 8.944 3.112 181 HG22 VAL 23 HG22 VAL 23 7.699 7.940 4.496 182 HG23 VAL 23 HG23 VAL 23 6.531 9.087 3.837 183 H MET 24 H MET 24 7.949 3.791 2.659 184 HA MET 24 HA MET 24 6.758 3.046 0.031 185 HB2 MET 24 HB2 MET 24 8.562 1.348 1.812 186 HB3 MET 24 HB3 MET 24 7.942 0.897 0.230 187 HG2 MET 24 HG2 MET 24 9.249 2.745 -0.785 188 HG3 MET 24 HG3 MET 24 9.903 3.130 0.807 189 HE1 MET 24 HE1 MET 24 9.834 0.514 -2.142 190 HE2 MET 24 HE2 MET 24 9.207 -0.444 -0.800 191 HE3 MET 24 HE3 MET 24 10.797 -0.804 -1.470 192 H LEU 25 H LEU 25 4.601 2.937 0.516 193 HA LEU 25 HA LEU 25 3.548 1.523 2.844 194 HB2 LEU 25 HB2 LEU 25 2.062 2.717 0.467 195 HB3 LEU 25 HB3 LEU 25 1.364 2.264 2.017 196 HG LEU 25 HG LEU 25 3.362 4.521 1.581 197 HD11 LEU 25 HD11 LEU 25 0.391 4.678 2.163 198 HD12 LEU 25 HD12 LEU 25 1.175 5.062 0.628 199 HD13 LEU 25 HD13 LEU 25 1.507 6.044 2.052 200 HD21 LEU 25 HD21 LEU 25 3.640 3.540 3.810 201 HD22 LEU 25 HD22 LEU 25 1.911 3.705 4.127 202 HD23 LEU 25 HD23 LEU 25 2.916 5.142 3.927 203 H ALA 26 H ALA 26 3.820 -0.706 2.674 204 HA ALA 26 HA ALA 26 3.350 -2.057 0.081 205 HB1 ALA 26 HB1 ALA 26 4.648 -3.925 1.000 206 HB2 ALA 26 HB2 ALA 26 4.785 -3.089 2.549 207 HB3 ALA 26 HB3 ALA 26 5.556 -2.415 1.113 208 H CYS 27 H CYS 27 1.580 -3.255 -0.220 209 HA CYS 27 HA CYS 27 0.101 -4.458 2.040 210 HB2 CYS 27 HB2 CYS 27 -1.120 -2.429 1.362 211 HB3 CYS 27 HB3 CYS 27 -1.150 -2.974 -0.311 212 HG CYS 27 HG CYS 27 -2.600 -5.394 0.635 213 H GLU 28 H GLU 28 -0.342 -6.593 1.754 214 HA GLU 28 HA GLU 28 -0.399 -7.719 -0.989 215 HB2 GLU 28 HB2 GLU 28 0.819 -8.935 1.512 216 HB3 GLU 28 HB3 GLU 28 0.388 -9.915 0.111 217 HG2 GLU 28 HG2 GLU 28 1.910 -8.542 -1.297 218 HG3 GLU 28 HG3 GLU 28 2.382 -7.634 0.136 219 H VAL 29 H VAL 29 -2.098 -8.844 -1.559 220 HA VAL 29 HA VAL 29 -4.323 -9.284 0.324 221 HB VAL 29 HB VAL 29 -5.691 -9.583 -1.744 222 HG11 VAL 29 HG11 VAL 29 -4.027 -7.033 -1.744 223 HG12 VAL 29 HG12 VAL 29 -5.471 -7.334 -0.776 224 HG13 VAL 29 HG13 VAL 29 -5.594 -7.240 -2.531 225 HG21 VAL 29 HG21 VAL 29 -3.993 -10.536 -3.252 226 HG22 VAL 29 HG22 VAL 29 -3.093 -9.015 -3.246 227 HG23 VAL 29 HG23 VAL 29 -4.700 -9.092 -3.981 228 H ASP 30 H ASP 30 -5.748 -11.327 -0.552 229 HA ASP 30 HA ASP 30 -4.046 -13.667 -0.106 230 HB2 ASP 30 HB2 ASP 30 -6.042 -14.873 0.433 231 HB3 ASP 30 HB3 ASP 30 -6.176 -13.298 1.197 232 H ARG 31 H ARG 31 -5.854 -12.202 -2.733 233 HA ARG 31 HA ARG 31 -5.297 -14.538 -4.490 234 HB2 ARG 31 HB2 ARG 31 -7.551 -12.501 -4.770 235 HB3 ARG 31 HB3 ARG 31 -7.201 -13.790 -5.921 236 HG2 ARG 31 HG2 ARG 31 -7.544 -15.424 -4.002 237 HG3 ARG 31 HG3 ARG 31 -8.180 -14.065 -3.080 238 HD2 ARG 31 HD2 ARG 31 -9.304 -15.020 -5.730 239 HD3 ARG 31 HD3 ARG 31 -9.934 -15.490 -4.154 240 HE ARG 31 HE ARG 31 -10.505 -13.144 -3.779 241 HH11 ARG 31 HH11 ARG 31 -9.955 -14.017 -7.093 242 HH12 ARG 31 HH12 ARG 31 -11.033 -12.797 -7.677 243 HH21 ARG 31 HH21 ARG 31 -11.875 -11.642 -4.579 244 HH22 ARG 31 HH22 ARG 31 -12.099 -11.492 -6.283 245 H GLU 32 H GLU 32 -3.624 -14.191 -5.742 246 HA GLU 32 HA GLU 32 -2.412 -11.793 -6.527 247 HB2 GLU 32 HB2 GLU 32 -1.238 -13.920 -6.608 248 HB3 GLU 32 HB3 GLU 32 -2.383 -14.572 -7.775 249 HG2 GLU 32 HG2 GLU 32 -1.554 -13.079 -9.504 250 HG3 GLU 32 HG3 GLU 32 -0.504 -12.264 -8.350 251 H ASP 33 H ASP 33 -5.132 -13.490 -7.902 252 HA ASP 33 HA ASP 33 -5.280 -12.606 -10.533 253 HB2 ASP 33 HB2 ASP 33 -7.684 -12.985 -8.694 254 HB3 ASP 33 HB3 ASP 33 -7.636 -13.194 -10.442 255 H ALA 34 H ALA 34 -6.058 -10.855 -7.604 256 HA ALA 34 HA ALA 34 -7.654 -8.821 -9.035 257 HB1 ALA 34 HB1 ALA 34 -8.620 -8.339 -6.824 258 HB2 ALA 34 HB2 ALA 34 -7.570 -9.563 -6.099 259 HB3 ALA 34 HB3 ALA 34 -8.806 -10.040 -7.263 260 HA PRO 35 HA PRO 35 -4.140 -5.910 -8.128 261 HB2 PRO 35 HB2 PRO 35 -5.755 -4.208 -10.000 262 HB3 PRO 35 HB3 PRO 35 -4.037 -4.621 -10.063 263 HG2 PRO 35 HG2 PRO 35 -5.759 -5.701 -11.804 264 HG3 PRO 35 HG3 PRO 35 -4.434 -6.672 -11.124 265 HD2 PRO 35 HD2 PRO 35 -7.348 -6.613 -10.301 266 HD3 PRO 35 HD3 PRO 35 -6.287 -8.014 -10.588 267 H VAL 36 H VAL 36 -4.198 -4.368 -6.474 268 HA VAL 36 HA VAL 36 -6.748 -3.588 -5.325 269 HB VAL 36 HB VAL 36 -5.556 -2.511 -3.539 270 HG11 VAL 36 HG11 VAL 36 -5.553 -4.965 -3.429 271 HG12 VAL 36 HG12 VAL 36 -4.095 -4.307 -2.686 272 HG13 VAL 36 HG13 VAL 36 -4.017 -5.020 -4.299 273 HG21 VAL 36 HG21 VAL 36 -3.881 -1.232 -4.803 274 HG22 VAL 36 HG22 VAL 36 -3.000 -2.711 -5.183 275 HG23 VAL 36 HG23 VAL 36 -3.097 -2.147 -3.514 276 H ARG 37 H ARG 37 -7.389 -1.413 -4.923 277 HA ARG 37 HA ARG 37 -6.750 0.533 -7.060 278 HB2 ARG 37 HB2 ARG 37 -9.197 0.228 -5.252 279 HB3 ARG 37 HB3 ARG 37 -9.014 1.475 -6.476 280 HG2 ARG 37 HG2 ARG 37 -8.827 -1.408 -7.328 281 HG3 ARG 37 HG3 ARG 37 -10.415 -0.749 -6.948 282 HD2 ARG 37 HD2 ARG 37 -8.528 0.551 -8.949 283 HD3 ARG 37 HD3 ARG 37 -9.738 -0.657 -9.399 284 HE ARG 37 HE ARG 37 -11.274 1.092 -8.136 285 HH11 ARG 37 HH11 ARG 37 -8.803 1.803 -10.462 286 HH12 ARG 37 HH12 ARG 37 -9.651 3.181 -11.069 287 HH21 ARG 37 HH21 ARG 37 -12.313 2.833 -8.939 288 HH22 ARG 37 HH22 ARG 37 -11.608 3.751 -10.224 289 H TRP 38 H TRP 38 -5.321 2.095 -6.345 290 HA TRP 38 HA TRP 38 -5.000 2.609 -3.484 291 HB2 TRP 38 HB2 TRP 38 -3.410 3.518 -5.912 292 HB3 TRP 38 HB3 TRP 38 -3.127 4.200 -4.318 293 HD1 TRP 38 HD1 TRP 38 -2.498 1.027 -6.354 294 HE1 TRP 38 HE1 TRP 38 -0.848 -0.456 -5.058 295 HE3 TRP 38 HE3 TRP 38 -2.429 3.548 -1.898 296 HZ2 TRP 38 HZ2 TRP 38 0.324 -0.567 -2.501 297 HZ3 TRP 38 HZ3 TRP 38 -1.017 2.686 -0.072 298 HH2 TRP 38 HH2 TRP 38 0.334 0.665 -0.369 299 H TYR 39 H TYR 39 -6.039 4.137 -2.459 300 HA TYR 39 HA TYR 39 -6.819 6.687 -3.773 301 HB2 TYR 39 HB2 TYR 39 -8.373 5.082 -1.689 302 HB3 TYR 39 HB3 TYR 39 -8.784 6.728 -2.169 303 HD1 TYR 39 HD2 TYR 39 -9.534 7.187 -4.533 304 HD2 TYR 39 HD1 TYR 39 -9.034 3.198 -3.090 305 HE1 TYR 39 HE2 TYR 39 -10.870 6.339 -6.406 306 HE2 TYR 39 HE1 TYR 39 -10.372 2.358 -4.971 307 HH TYR 39 HH TYR 39 -11.165 4.297 -7.660 308 H LYS 40 H LYS 40 -7.316 8.377 -1.975 309 HA LYS 40 HA LYS 40 -5.687 8.018 0.455 310 HB2 LYS 40 HB2 LYS 40 -4.345 9.345 -1.203 311 HB3 LYS 40 HB3 LYS 40 -5.625 10.552 -1.230 312 HG2 LYS 40 HG2 LYS 40 -5.225 10.732 1.344 313 HG3 LYS 40 HG3 LYS 40 -3.712 9.878 1.019 314 HD2 LYS 40 HD2 LYS 40 -3.069 11.674 -0.584 315 HD3 LYS 40 HD3 LYS 40 -4.573 12.521 -0.214 316 HE2 LYS 40 HE2 LYS 40 -3.751 12.501 2.244 317 HE3 LYS 40 HE3 LYS 40 -2.173 12.089 1.576 318 HZ1 LYS 40 HZ1 LYS 40 -2.389 14.448 1.911 319 HZ2 LYS 40 HZ2 LYS 40 -3.770 14.504 0.937 320 HZ3 LYS 40 HZ3 LYS 40 -2.272 14.115 0.257 321 H ASP 41 H ASP 41 -7.366 10.956 -0.655 322 HA ASP 41 HA ASP 41 -9.510 10.510 1.332 323 HB2 ASP 41 HB2 ASP 41 -7.739 12.181 2.093 324 HB3 ASP 41 HB3 ASP 41 -8.207 13.212 0.744 325 H GLY 42 H GLY 42 -10.845 9.744 -0.297 326 HA2 GLY 42 HA2 GLY 42 -12.661 10.019 -1.725 327 HA3 GLY 42 HA3 GLY 42 -12.227 11.700 -1.954 328 H GLN 43 H GLN 43 -9.691 11.587 -2.978 329 HA GLN 43 HA GLN 43 -10.187 10.634 -5.707 330 HB2 GLN 43 HB2 GLN 43 -7.891 12.326 -4.622 331 HB3 GLN 43 HB3 GLN 43 -8.146 11.938 -6.317 332 HG2 GLN 43 HG2 GLN 43 -8.890 14.157 -6.070 333 HG3 GLN 43 HG3 GLN 43 -10.357 13.189 -6.148 334 HE21 GLN 43 HE21 GLN 43 -11.695 13.097 -4.311 335 HE22 GLN 43 HE22 GLN 43 -11.460 14.124 -2.946 336 H GLU 44 H GLU 44 -8.655 9.394 -6.898 337 HA GLU 44 HA GLU 44 -7.247 7.330 -5.448 338 HB2 GLU 44 HB2 GLU 44 -6.773 6.321 -7.595 339 HB3 GLU 44 HB3 GLU 44 -8.444 6.854 -7.597 340 HG2 GLU 44 HG2 GLU 44 -6.174 8.380 -8.920 341 HG3 GLU 44 HG3 GLU 44 -7.197 7.216 -9.754 342 H VAL 45 H VAL 45 -4.966 6.753 -6.000 343 HA VAL 45 HA VAL 45 -3.216 9.099 -6.507 344 HB VAL 45 HB VAL 45 -2.464 6.658 -4.824 345 HG11 VAL 45 HG11 VAL 45 -0.542 7.788 -5.863 346 HG12 VAL 45 HG12 VAL 45 -0.530 8.043 -4.118 347 HG13 VAL 45 HG13 VAL 45 -1.062 9.337 -5.195 348 HG21 VAL 45 HG21 VAL 45 -4.245 7.901 -3.660 349 HG22 VAL 45 HG22 VAL 45 -3.338 9.405 -3.831 350 HG23 VAL 45 HG23 VAL 45 -2.705 8.101 -2.824 351 H GLU 46 H GLU 46 -2.594 8.899 -8.575 352 HA GLU 46 HA GLU 46 -1.779 6.271 -9.696 353 HB2 GLU 46 HB2 GLU 46 -2.573 8.849 -11.135 354 HB3 GLU 46 HB3 GLU 46 -2.126 7.340 -11.925 355 HG2 GLU 46 HG2 GLU 46 -4.093 6.220 -11.025 356 HG3 GLU 46 HG3 GLU 46 -4.514 7.641 -10.073 357 H GLU 47 H GLU 47 0.051 6.512 -11.387 358 HA GLU 47 HA GLU 47 2.368 7.533 -10.081 359 HB2 GLU 47 HB2 GLU 47 2.032 6.463 -12.913 360 HB3 GLU 47 HB3 GLU 47 3.582 6.773 -12.131 361 HG2 GLU 47 HG2 GLU 47 2.845 5.121 -10.309 362 HG3 GLU 47 HG3 GLU 47 1.510 4.693 -11.375 363 H SER 48 H SER 48 3.456 9.443 -10.314 364 HA SER 48 HA SER 48 2.716 11.464 -12.309 365 HB2 SER 48 HB2 SER 48 0.917 11.446 -10.506 366 HB3 SER 48 HB3 SER 48 2.126 11.975 -9.354 367 HG SER 48 HG SER 48 0.724 13.417 -11.165 368 H ASP 49 H ASP 49 3.595 13.691 -10.570 369 HA ASP 49 HA ASP 49 6.374 13.742 -10.857 370 HB2 ASP 49 HB2 ASP 49 4.835 15.342 -8.777 371 HB3 ASP 49 HB3 ASP 49 6.339 15.785 -9.579 372 H PHE 50 H PHE 50 7.093 11.768 -10.065 373 HA PHE 50 HA PHE 50 8.654 10.788 -8.726 374 HB2 PHE 50 HB2 PHE 50 7.669 12.617 -6.498 375 HB3 PHE 50 HB3 PHE 50 8.866 11.358 -6.224 376 HD1 PHE 50 HD1 PHE 50 11.063 11.464 -7.559 377 HD2 PHE 50 HD2 PHE 50 8.355 14.771 -7.319 378 HE1 PHE 50 HE1 PHE 50 12.863 13.001 -8.229 379 HE2 PHE 50 HE2 PHE 50 10.164 16.298 -7.995 380 HZ PHE 50 HZ PHE 50 12.421 15.413 -8.450 381 H VAL 51 H VAL 51 5.278 10.909 -8.082 382 HA VAL 51 HA VAL 51 5.042 8.741 -6.254 383 HB VAL 51 HB VAL 51 2.969 9.599 -8.329 384 HG11 VAL 51 HG11 VAL 51 1.314 8.698 -6.723 385 HG12 VAL 51 HG12 VAL 51 2.622 8.204 -5.645 386 HG13 VAL 51 HG13 VAL 51 2.458 7.453 -7.234 387 HG21 VAL 51 HG21 VAL 51 3.684 11.588 -7.059 388 HG22 VAL 51 HG22 VAL 51 3.375 10.750 -5.537 389 HG23 VAL 51 HG23 VAL 51 2.036 11.133 -6.621 390 H VAL 52 H VAL 52 5.709 6.694 -6.697 391 HA VAL 52 HA VAL 52 5.182 5.532 -9.385 392 HB VAL 52 HB VAL 52 7.166 4.062 -9.102 393 HG11 VAL 52 HG11 VAL 52 7.856 7.020 -8.875 394 HG12 VAL 52 HG12 VAL 52 7.450 6.155 -10.358 395 HG13 VAL 52 HG13 VAL 52 8.930 5.760 -9.487 396 HG21 VAL 52 HG21 VAL 52 8.863 4.498 -7.348 397 HG22 VAL 52 HG22 VAL 52 7.330 3.983 -6.645 398 HG23 VAL 52 HG23 VAL 52 7.788 5.686 -6.600 399 H LEU 53 H LEU 53 4.115 3.653 -9.477 400 HA LEU 53 HA LEU 53 3.364 2.223 -6.976 401 HB2 LEU 53 HB2 LEU 53 1.832 2.552 -9.587 402 HB3 LEU 53 HB3 LEU 53 1.316 1.510 -8.272 403 HG LEU 53 HG LEU 53 1.618 4.533 -8.021 404 HD11 LEU 53 HD11 LEU 53 -0.831 4.653 -8.066 405 HD12 LEU 53 HD12 LEU 53 -0.925 2.921 -8.395 406 HD13 LEU 53 HD13 LEU 53 -0.197 4.009 -9.579 407 HD21 LEU 53 HD21 LEU 53 0.352 2.524 -6.121 408 HD22 LEU 53 HD22 LEU 53 0.406 4.273 -5.900 409 HD23 LEU 53 HD23 LEU 53 1.899 3.341 -5.882 410 H GLU 54 H GLU 54 4.499 0.346 -6.834 411 HA GLU 54 HA GLU 54 5.402 -1.031 -9.281 412 HB2 GLU 54 HB2 GLU 54 6.263 -1.336 -6.384 413 HB3 GLU 54 HB3 GLU 54 6.885 -2.322 -7.706 414 HG2 GLU 54 HG2 GLU 54 7.747 -0.264 -8.812 415 HG3 GLU 54 HG3 GLU 54 7.159 0.692 -7.454 416 H ASN 55 H ASN 55 4.507 -2.828 -9.993 417 HA ASN 55 HA ASN 55 2.358 -4.147 -8.418 418 HB2 ASN 55 HB2 ASN 55 2.651 -3.887 -11.455 419 HB3 ASN 55 HB3 ASN 55 1.317 -4.671 -10.622 420 HD21 ASN 55 HD21 ASN 55 2.791 -1.485 -9.878 421 HD22 ASN 55 HD22 ASN 55 1.365 -0.589 -10.202 422 H GLU 56 H GLU 56 3.000 -6.203 -7.748 423 HA GLU 56 HA GLU 56 3.930 -8.094 -9.761 424 HB2 GLU 56 HB2 GLU 56 6.080 -7.217 -8.910 425 HB3 GLU 56 HB3 GLU 56 5.614 -7.610 -7.258 426 HG2 GLU 56 HG2 GLU 56 7.212 -9.242 -8.200 427 HG3 GLU 56 HG3 GLU 56 5.686 -9.993 -7.749 428 H GLY 57 H GLY 57 2.065 -9.268 -9.523 429 HA2 GLY 57 HA2 GLY 57 0.574 -10.788 -8.678 430 HA3 GLY 57 HA3 GLY 57 1.821 -11.224 -7.528 431 HA PRO 58 HA PRO 58 -1.259 -9.400 -4.620 432 HB2 PRO 58 HB2 PRO 58 -0.224 -10.476 -2.327 433 HB3 PRO 58 HB3 PRO 58 -1.232 -11.414 -3.437 434 HG2 PRO 58 HG2 PRO 58 1.777 -11.344 -3.219 435 HG3 PRO 58 HG3 PRO 58 0.702 -12.754 -3.350 436 HD2 PRO 58 HD2 PRO 58 2.030 -11.741 -5.504 437 HD3 PRO 58 HD3 PRO 58 0.426 -12.493 -5.655 438 H HIS 59 H HIS 59 2.215 -9.050 -4.841 439 HA HIS 59 HA HIS 59 2.598 -7.181 -2.681 440 HB2 HIS 59 HB2 HIS 59 4.406 -7.813 -5.060 441 HB3 HIS 59 HB3 HIS 59 4.880 -6.859 -3.663 442 HD1 HIS 59 HD1 HIS 59 6.213 -8.155 -2.042 443 HD2 HIS 59 HD2 HIS 59 3.591 -10.603 -4.135 444 HE1 HIS 59 HE1 HIS 59 6.719 -10.486 -1.279 445 HE2 HIS 59 HE2 HIS 59 5.035 -11.931 -2.455 446 H ARG 60 H ARG 60 1.421 -5.361 -2.851 447 HA ARG 60 HA ARG 60 1.746 -3.580 -5.209 448 HB2 ARG 60 HB2 ARG 60 -0.653 -4.036 -3.382 449 HB3 ARG 60 HB3 ARG 60 -0.529 -2.629 -4.433 450 HG2 ARG 60 HG2 ARG 60 -0.500 -5.511 -5.397 451 HG3 ARG 60 HG3 ARG 60 -1.914 -4.449 -5.405 452 HD2 ARG 60 HD2 ARG 60 -0.716 -2.877 -6.902 453 HD3 ARG 60 HD3 ARG 60 0.681 -3.956 -6.907 454 HE ARG 60 HE ARG 60 -0.828 -5.638 -7.976 455 HH11 ARG 60 HH11 ARG 60 -1.705 -2.301 -8.247 456 HH12 ARG 60 HH12 ARG 60 -2.302 -2.491 -9.854 457 HH21 ARG 60 HH21 ARG 60 -1.576 -5.825 -10.056 458 HH22 ARG 60 HH22 ARG 60 -2.237 -4.436 -10.852 459 H ARG 61 H ARG 61 3.124 -1.946 -4.666 460 HA ARG 61 HA ARG 61 2.855 -0.726 -1.980 461 HB2 ARG 61 HB2 ARG 61 5.289 -0.495 -1.766 462 HB3 ARG 61 HB3 ARG 61 4.794 -2.177 -1.869 463 HG2 ARG 61 HG2 ARG 61 5.525 -2.238 -4.245 464 HG3 ARG 61 HG3 ARG 61 6.057 -0.559 -4.109 465 HD2 ARG 61 HD2 ARG 61 7.629 -1.231 -2.295 466 HD3 ARG 61 HD3 ARG 61 7.130 -2.911 -2.512 467 HE ARG 61 HE ARG 61 8.121 -1.698 -4.922 468 HH11 ARG 61 HH11 ARG 61 9.109 -3.332 -2.027 469 HH12 ARG 61 HH12 ARG 61 10.629 -3.804 -2.699 470 HH21 ARG 61 HH21 ARG 61 10.075 -2.299 -5.740 471 HH22 ARG 61 HH22 ARG 61 11.173 -3.224 -4.774 472 H LEU 62 H LEU 62 2.753 1.376 -1.868 473 HA LEU 62 HA LEU 62 3.193 3.108 -4.210 474 HB2 LEU 62 HB2 LEU 62 1.066 3.122 -2.746 475 HB3 LEU 62 HB3 LEU 62 2.030 3.869 -1.487 476 HG LEU 62 HG LEU 62 1.602 5.127 -4.240 477 HD11 LEU 62 HD11 LEU 62 0.027 5.645 -1.700 478 HD12 LEU 62 HD12 LEU 62 -0.573 4.865 -3.165 479 HD13 LEU 62 HD13 LEU 62 -0.105 6.560 -3.203 480 HD21 LEU 62 HD21 LEU 62 2.257 7.241 -3.154 481 HD22 LEU 62 HD22 LEU 62 3.549 6.049 -3.062 482 HD23 LEU 62 HD23 LEU 62 2.558 6.381 -1.640 483 H VAL 63 H VAL 63 5.260 3.837 -4.381 484 HA VAL 63 HA VAL 63 6.824 4.439 -1.932 485 HB VAL 63 HB VAL 63 7.870 3.951 -4.756 486 HG11 VAL 63 HG11 VAL 63 10.102 3.790 -3.694 487 HG12 VAL 63 HG12 VAL 63 9.391 4.203 -2.133 488 HG13 VAL 63 HG13 VAL 63 9.379 5.379 -3.448 489 HG21 VAL 63 HG21 VAL 63 6.878 1.887 -3.836 490 HG22 VAL 63 HG22 VAL 63 7.880 2.032 -2.392 491 HG23 VAL 63 HG23 VAL 63 8.632 1.741 -3.963 492 H LEU 64 H LEU 64 7.332 6.491 -1.490 493 HA LEU 64 HA LEU 64 7.183 8.584 -3.576 494 HB2 LEU 64 HB2 LEU 64 5.648 8.427 -1.186 495 HB3 LEU 64 HB3 LEU 64 6.874 9.627 -0.837 496 HG LEU 64 HG LEU 64 4.945 10.794 -1.649 497 HD11 LEU 64 HD11 LEU 64 7.089 11.674 -2.466 498 HD12 LEU 64 HD12 LEU 64 5.784 11.984 -3.608 499 HD13 LEU 64 HD13 LEU 64 6.950 10.693 -3.931 500 HD21 LEU 64 HD21 LEU 64 3.780 8.942 -2.726 501 HD22 LEU 64 HD22 LEU 64 4.933 8.956 -4.064 502 HD23 LEU 64 HD23 LEU 64 3.860 10.334 -3.805 503 HA PRO 65 HA PRO 65 11.685 8.337 -2.415 504 HB2 PRO 65 HB2 PRO 65 12.510 9.859 -4.616 505 HB3 PRO 65 HB3 PRO 65 12.278 8.110 -4.631 506 HG2 PRO 65 HG2 PRO 65 10.364 10.270 -5.498 507 HG3 PRO 65 HG3 PRO 65 10.793 8.757 -6.328 508 HD2 PRO 65 HD2 PRO 65 8.514 8.926 -4.956 509 HD3 PRO 65 HD3 PRO 65 9.493 7.442 -4.863 510 H ALA 66 H ALA 66 10.125 11.364 -3.563 511 HA ALA 66 HA ALA 66 11.399 12.837 -1.318 512 HB1 ALA 66 HB1 ALA 66 11.206 14.880 -2.687 513 HB2 ALA 66 HB2 ALA 66 10.497 13.946 -4.006 514 HB3 ALA 66 HB3 ALA 66 12.168 13.657 -3.521 515 H THR 67 H THR 67 9.719 12.228 0.115 516 HA THR 67 HA THR 67 6.942 12.434 -0.419 517 HB THR 67 HB THR 67 8.355 12.393 2.286 518 HG1 THR 67 HG1 THR 67 8.497 10.567 0.586 519 HG21 THR 67 HG21 THR 67 6.219 11.514 3.188 520 HG22 THR 67 HG22 THR 67 5.454 11.738 1.615 521 HG23 THR 67 HG23 THR 67 6.000 13.140 2.537 522 H GLN 68 H GLN 68 5.592 14.111 -0.371 523 HA GLN 68 HA GLN 68 6.595 16.832 0.205 524 HB2 GLN 68 HB2 GLN 68 4.086 15.951 -1.304 525 HB3 GLN 68 HB3 GLN 68 4.816 17.559 -1.323 526 HG2 GLN 68 HG2 GLN 68 6.676 16.807 -2.630 527 HG3 GLN 68 HG3 GLN 68 6.288 15.110 -2.349 528 HE21 GLN 68 HE21 GLN 68 4.409 14.235 -3.392 529 HE22 GLN 68 HE22 GLN 68 3.840 14.916 -4.874 530 HA PRO 69 HA PRO 69 3.942 17.447 3.830 531 HB2 PRO 69 HB2 PRO 69 2.964 20.002 2.550 532 HB3 PRO 69 HB3 PRO 69 3.653 19.741 4.160 533 HG2 PRO 69 HG2 PRO 69 5.127 20.866 2.247 534 HG3 PRO 69 HG3 PRO 69 5.859 19.676 3.350 535 HD2 PRO 69 HD2 PRO 69 4.935 19.305 0.498 536 HD3 PRO 69 HD3 PRO 69 6.392 18.676 1.299 537 H SER 70 H SER 70 2.409 18.037 0.676 538 HA SER 70 HA SER 70 -0.296 17.581 1.630 539 HB2 SER 70 HB2 SER 70 -0.972 17.941 -0.720 540 HB3 SER 70 HB3 SER 70 0.113 19.215 -0.163 541 HG SER 70 HG SER 70 0.615 17.102 -1.946 542 H ASP 71 H ASP 71 2.134 15.362 1.032 543 HA ASP 71 HA ASP 71 0.305 13.223 0.195 544 HB2 ASP 71 HB2 ASP 71 3.232 13.164 1.052 545 HB3 ASP 71 HB3 ASP 71 2.315 11.719 0.625 546 H GLY 72 H GLY 72 0.747 14.892 3.030 547 HA2 GLY 72 HA2 GLY 72 0.570 12.898 5.041 548 HA3 GLY 72 HA3 GLY 72 0.067 14.572 5.192 549 H GLY 73 H GLY 73 -1.006 11.339 4.943 550 HA2 GLY 73 HA2 GLY 73 -3.579 11.731 5.811 551 HA3 GLY 73 HA3 GLY 73 -3.716 11.849 4.062 552 H GLU 74 H GLU 74 -5.227 9.950 4.829 553 HA GLU 74 HA GLU 74 -3.843 7.417 5.347 554 HB2 GLU 74 HB2 GLU 74 -6.815 8.034 5.149 555 HB3 GLU 74 HB3 GLU 74 -6.128 6.481 5.627 556 HG2 GLU 74 HG2 GLU 74 -5.014 7.691 7.569 557 HG3 GLU 74 HG3 GLU 74 -5.975 9.106 7.140 558 H PHE 75 H PHE 75 -3.043 6.357 3.595 559 HA PHE 75 HA PHE 75 -4.358 6.461 0.987 560 HB2 PHE 75 HB2 PHE 75 -1.732 5.198 1.883 561 HB3 PHE 75 HB3 PHE 75 -2.344 5.128 0.230 562 HD1 PHE 75 HD2 PHE 75 -1.097 7.439 2.874 563 HD2 PHE 75 HD1 PHE 75 -2.136 7.022 -1.250 564 HE1 PHE 75 HE2 PHE 75 -0.055 9.606 2.383 565 HE2 PHE 75 HE1 PHE 75 -1.095 9.198 -1.729 566 HZ PHE 75 HZ PHE 75 -0.049 10.493 0.087 567 H GLN 76 H GLN 76 -5.677 4.938 0.266 568 HA GLN 76 HA GLN 76 -6.268 2.604 1.989 569 HB2 GLN 76 HB2 GLN 76 -8.071 4.198 0.112 570 HB3 GLN 76 HB3 GLN 76 -8.592 2.840 1.108 571 HG2 GLN 76 HG2 GLN 76 -8.224 4.078 3.139 572 HG3 GLN 76 HG3 GLN 76 -7.397 5.372 2.272 573 HE21 GLN 76 HE21 GLN 76 -10.390 3.917 1.078 574 HE22 GLN 76 HE22 GLN 76 -11.366 5.310 1.352 575 H CYS 77 H CYS 77 -5.409 0.771 1.112 576 HA CYS 77 HA CYS 77 -5.395 0.231 -1.754 577 HB2 CYS 77 HB2 CYS 77 -4.752 -1.657 0.557 578 HB3 CYS 77 HB3 CYS 77 -4.352 -1.902 -1.143 579 HG CYS 77 HG CYS 77 -3.131 0.916 0.183 580 H VAL 78 H VAL 78 -7.569 0.133 -2.403 581 HA VAL 78 HA VAL 78 -9.508 -1.509 -0.967 582 HB VAL 78 HB VAL 78 -9.811 0.040 -3.584 583 HG11 VAL 78 HG11 VAL 78 -11.482 -1.756 -3.455 584 HG12 VAL 78 HG12 VAL 78 -12.262 -0.191 -3.237 585 HG13 VAL 78 HG13 VAL 78 -11.964 -1.229 -1.840 586 HG21 VAL 78 HG21 VAL 78 -9.320 1.532 -1.692 587 HG22 VAL 78 HG22 VAL 78 -10.637 0.817 -0.759 588 HG23 VAL 78 HG23 VAL 78 -10.991 1.737 -2.223 589 H ALA 79 H ALA 79 -9.030 -3.617 -1.156 590 HA ALA 79 HA ALA 79 -8.142 -4.865 -3.634 591 HB1 ALA 79 HB1 ALA 79 -8.821 -6.089 -0.938 592 HB2 ALA 79 HB2 ALA 79 -7.214 -5.577 -1.461 593 HB3 ALA 79 HB3 ALA 79 -8.025 -6.913 -2.280 594 H GLY 80 H GLY 80 -10.845 -5.487 -1.385 595 HA2 GLY 80 HA2 GLY 80 -13.008 -5.509 -3.115 596 HA3 GLY 80 HA3 GLY 80 -12.328 -7.140 -3.203 597 H ASP 81 H ASP 81 -14.491 -5.203 -1.577 598 HA ASP 81 HA ASP 81 -15.810 -5.389 0.236 599 HB2 ASP 81 HB2 ASP 81 -15.932 -7.809 -0.061 600 HB3 ASP 81 HB3 ASP 81 -14.393 -8.031 0.759 601 H GLU 82 H GLU 82 -12.430 -6.297 1.091 602 HA GLU 82 HA GLU 82 -12.524 -4.349 3.333 603 HB2 GLU 82 HB2 GLU 82 -10.752 -6.812 3.052 604 HB3 GLU 82 HB3 GLU 82 -10.666 -5.651 4.376 605 HG2 GLU 82 HG2 GLU 82 -13.092 -6.226 4.887 606 HG3 GLU 82 HG3 GLU 82 -12.943 -7.542 3.723 607 H CYS 83 H CYS 83 -10.536 -3.175 3.810 608 HA CYS 83 HA CYS 83 -8.669 -2.690 1.595 609 HB2 CYS 83 HB2 CYS 83 -9.160 -0.216 1.655 610 HB3 CYS 83 HB3 CYS 83 -10.493 -1.184 1.034 611 HG CYS 83 HG CYS 83 -10.758 -0.687 4.312 612 H ALA 84 H ALA 84 -6.702 -1.801 2.217 613 HA ALA 84 HA ALA 84 -6.098 -1.746 5.104 614 HB1 ALA 84 HB1 ALA 84 -4.215 -1.785 2.717 615 HB2 ALA 84 HB2 ALA 84 -4.709 -3.187 3.664 616 HB3 ALA 84 HB3 ALA 84 -3.740 -1.920 4.415 617 H TYR 85 H TYR 85 -5.681 0.111 6.179 618 HA TYR 85 HA TYR 85 -5.520 2.678 4.699 619 HB2 TYR 85 HB2 TYR 85 -6.214 2.142 7.627 620 HB3 TYR 85 HB3 TYR 85 -6.190 3.729 6.863 621 HD1 TYR 85 HD1 TYR 85 -7.905 0.395 6.714 622 HD2 TYR 85 HD2 TYR 85 -8.181 4.564 5.806 623 HE1 TYR 85 HE1 TYR 85 -10.269 0.112 6.129 624 HE2 TYR 85 HE2 TYR 85 -10.555 4.272 5.224 625 HH TYR 85 HH TYR 85 -12.291 1.413 5.975 626 H PHE 86 H PHE 86 -3.565 3.630 4.577 627 HA PHE 86 HA PHE 86 -1.528 3.206 6.707 628 HB2 PHE 86 HB2 PHE 86 -1.151 4.105 3.806 629 HB3 PHE 86 HB3 PHE 86 0.140 3.903 4.985 630 HD1 PHE 86 HD1 PHE 86 -2.272 2.122 2.812 631 HD2 PHE 86 HD2 PHE 86 0.966 1.676 5.574 632 HE1 PHE 86 HE1 PHE 86 -1.995 -0.221 2.120 633 HE2 PHE 86 HE2 PHE 86 1.237 -0.665 4.867 634 HZ PHE 86 HZ PHE 86 -0.241 -1.616 3.142 635 H THR 87 H THR 87 -1.678 4.909 8.136 636 HA THR 87 HA THR 87 -2.646 7.526 7.246 637 HB THR 87 HB THR 87 -1.884 6.671 10.077 638 HG1 THR 87 HG1 THR 87 -4.431 6.652 8.788 639 HG21 THR 87 HG21 THR 87 -3.314 8.571 10.771 640 HG22 THR 87 HG22 THR 87 -3.595 8.987 9.082 641 HG23 THR 87 HG23 THR 87 -1.975 9.130 9.767 642 H VAL 88 H VAL 88 -1.045 8.663 6.222 643 HA VAL 88 HA VAL 88 1.716 8.660 7.206 644 HB VAL 88 HB VAL 88 0.480 9.920 4.710 645 HG11 VAL 88 HG11 VAL 88 2.472 11.203 5.385 646 HG12 VAL 88 HG12 VAL 88 2.794 10.292 3.912 647 HG13 VAL 88 HG13 VAL 88 3.427 9.721 5.459 648 HG21 VAL 88 HG21 VAL 88 0.474 7.453 4.666 649 HG22 VAL 88 HG22 VAL 88 2.203 7.422 5.016 650 HG23 VAL 88 HG23 VAL 88 1.622 8.090 3.488 651 H THR 89 H THR 89 2.139 10.015 8.818 652 HA THR 89 HA THR 89 0.714 12.585 9.139 653 HB THR 89 HB THR 89 2.351 11.015 11.190 654 HG1 THR 89 HG1 THR 89 -0.302 10.857 10.371 655 HG21 THR 89 HG21 THR 89 0.468 13.382 11.571 656 HG22 THR 89 HG22 THR 89 2.226 13.432 11.727 657 HG23 THR 89 HG23 THR 89 1.265 12.482 12.860 658 H ILE 90 H ILE 90 1.817 14.364 8.502 659 HA ILE 90 HA ILE 90 4.798 14.373 8.508 660 HB ILE 90 HB ILE 90 2.983 15.695 6.437 661 HG12 ILE 90 HG12 ILE 90 4.742 13.200 6.154 662 HG13 ILE 90 HG13 ILE 90 2.983 13.200 6.221 663 HG21 ILE 90 HG21 ILE 90 6.025 15.459 6.510 664 HG22 ILE 90 HG22 ILE 90 5.096 16.933 6.787 665 HG23 ILE 90 HG23 ILE 90 5.079 16.169 5.200 666 HD11 ILE 90 HD11 ILE 90 3.761 12.905 3.970 667 HD12 ILE 90 HD12 ILE 90 4.691 14.398 4.054 668 HD13 ILE 90 HD13 ILE 90 2.925 14.452 4.111 Start of MODEL 15 1 H HIS 1 H1 HIS 1 -17.710 -16.476 -7.808 2 HA HIS 1 HA HIS 1 -18.288 -14.790 -5.438 3 HB2 HIS 1 HB2 HIS 1 -19.885 -16.703 -5.814 4 HB3 HIS 1 HB3 HIS 1 -18.527 -17.818 -5.786 5 HD1 HIS 1 HD1 HIS 1 -20.775 -15.830 -3.567 6 HD2 HIS 1 HD2 HIS 1 -17.466 -18.318 -3.180 7 HE1 HIS 1 HE1 HIS 1 -20.647 -16.408 -1.135 8 HE2 HIS 1 HE2 HIS 1 -18.728 -18.017 -0.947 9 H MET 2 H MET 2 -16.147 -13.985 -5.280 10 HA MET 2 HA MET 2 -13.971 -15.970 -4.894 11 HB2 MET 2 HB2 MET 2 -12.375 -14.224 -5.560 12 HB3 MET 2 HB3 MET 2 -13.570 -14.499 -6.815 13 HG2 MET 2 HG2 MET 2 -14.721 -12.436 -6.226 14 HG3 MET 2 HG3 MET 2 -13.624 -12.180 -4.866 15 HE1 MET 2 HE1 MET 2 -12.445 -9.344 -7.275 16 HE2 MET 2 HE2 MET 2 -12.995 -9.745 -5.646 17 HE3 MET 2 HE3 MET 2 -14.107 -9.871 -7.010 18 HA PRO 3 HA PRO 3 -13.587 -14.085 -0.738 19 HB2 PRO 3 HB2 PRO 3 -12.303 -16.113 0.487 20 HB3 PRO 3 HB3 PRO 3 -14.010 -16.250 0.044 21 HG2 PRO 3 HG2 PRO 3 -11.614 -17.486 -1.252 22 HG3 PRO 3 HG3 PRO 3 -13.267 -18.112 -1.112 23 HD2 PRO 3 HD2 PRO 3 -12.122 -16.767 -3.370 24 HD3 PRO 3 HD3 PRO 3 -13.821 -17.239 -3.158 25 H VAL 4 H VAL 4 -12.198 -12.365 -1.485 26 HA VAL 4 HA VAL 4 -9.280 -12.916 -1.422 27 HB VAL 4 HB VAL 4 -9.839 -12.212 -3.642 28 HG11 VAL 4 HG11 VAL 4 -11.237 -9.764 -2.505 29 HG12 VAL 4 HG12 VAL 4 -12.020 -11.155 -3.255 30 HG13 VAL 4 HG13 VAL 4 -10.979 -10.106 -4.219 31 HG21 VAL 4 HG21 VAL 4 -8.441 -10.187 -3.916 32 HG22 VAL 4 HG22 VAL 4 -7.731 -11.290 -2.737 33 HG23 VAL 4 HG23 VAL 4 -8.580 -9.845 -2.188 34 H HIS 5 H HIS 5 -8.729 -12.536 0.622 35 HA HIS 5 HA HIS 5 -9.367 -9.933 1.887 36 HB2 HIS 5 HB2 HIS 5 -8.518 -12.589 3.132 37 HB3 HIS 5 HB3 HIS 5 -8.592 -11.076 4.035 38 HD1 HIS 5 HD1 HIS 5 -10.717 -10.780 5.260 39 HD2 HIS 5 HD2 HIS 5 -11.252 -13.103 1.859 40 HE1 HIS 5 HE1 HIS 5 -13.131 -11.426 5.269 41 HE2 HIS 5 HE2 HIS 5 -13.474 -12.588 3.073 42 H ILE 6 H ILE 6 -7.649 -8.941 3.160 43 HA ILE 6 HA ILE 6 -5.192 -8.805 1.565 44 HB ILE 6 HB ILE 6 -6.355 -6.988 3.721 45 HG12 ILE 6 HG12 ILE 6 -6.138 -6.685 0.685 46 HG13 ILE 6 HG13 ILE 6 -7.619 -6.952 1.597 47 HG21 ILE 6 HG21 ILE 6 -4.600 -5.356 3.124 48 HG22 ILE 6 HG22 ILE 6 -3.857 -6.544 2.051 49 HG23 ILE 6 HG23 ILE 6 -3.909 -6.835 3.790 50 HD11 ILE 6 HD11 ILE 6 -5.893 -4.478 1.657 51 HD12 ILE 6 HD12 ILE 6 -7.341 -4.732 2.637 52 HD13 ILE 6 HD13 ILE 6 -7.464 -4.668 0.880 53 H VAL 7 H VAL 7 -3.553 -10.079 2.157 54 HA VAL 7 HA VAL 7 -3.190 -11.135 4.833 55 HB VAL 7 HB VAL 7 -1.153 -12.270 3.861 56 HG11 VAL 7 HG11 VAL 7 -3.730 -12.679 2.290 57 HG12 VAL 7 HG12 VAL 7 -3.323 -13.422 3.837 58 HG13 VAL 7 HG13 VAL 7 -2.397 -13.835 2.394 59 HG21 VAL 7 HG21 VAL 7 -2.003 -10.991 1.225 60 HG22 VAL 7 HG22 VAL 7 -0.726 -12.193 1.429 61 HG23 VAL 7 HG23 VAL 7 -0.544 -10.589 2.139 62 H ASP 8 H ASP 8 -1.640 -8.667 2.843 63 HA ASP 8 HA ASP 8 -0.020 -7.752 5.151 64 HB2 ASP 8 HB2 ASP 8 1.391 -8.933 3.418 65 HB3 ASP 8 HB3 ASP 8 0.850 -7.768 2.217 66 HA PRO 9 HA PRO 9 0.800 -5.988 5.974 67 HB2 PRO 9 HB2 PRO 9 0.679 -3.576 7.085 68 HB3 PRO 9 HB3 PRO 9 1.331 -3.730 5.444 69 HG2 PRO 9 HG2 PRO 9 -1.397 -2.803 6.325 70 HG3 PRO 9 HG3 PRO 9 -0.347 -2.144 5.054 71 HD2 PRO 9 HD2 PRO 9 -2.473 -3.986 4.680 72 HD3 PRO 9 HD3 PRO 9 -1.224 -3.570 3.485 73 H ARG 10 H ARG 10 -2.288 -6.571 5.977 74 HA ARG 10 HA ARG 10 -4.042 -6.947 7.316 75 HB2 ARG 10 HB2 ARG 10 -1.996 -8.251 8.396 76 HB3 ARG 10 HB3 ARG 10 -2.194 -7.107 9.712 77 HG2 ARG 10 HG2 ARG 10 -4.488 -8.825 8.731 78 HG3 ARG 10 HG3 ARG 10 -3.314 -9.427 9.891 79 HD2 ARG 10 HD2 ARG 10 -5.267 -7.136 10.242 80 HD3 ARG 10 HD3 ARG 10 -5.201 -8.645 11.161 81 HE ARG 10 HE ARG 10 -3.276 -6.401 11.343 82 HH11 ARG 10 HH11 ARG 10 -4.601 -9.249 12.791 83 HH12 ARG 10 HH12 ARG 10 -3.710 -9.029 14.251 84 HH21 ARG 10 HH21 ARG 10 -2.145 -6.181 13.203 85 HH22 ARG 10 HH22 ARG 10 -2.361 -7.317 14.488 86 H GLU 11 H GLU 11 -3.456 -4.253 6.739 87 HA GLU 11 HA GLU 11 -4.387 -2.225 7.070 88 HB2 GLU 11 HB2 GLU 11 -6.018 -3.798 9.093 89 HB3 GLU 11 HB3 GLU 11 -6.314 -2.093 8.806 90 HG2 GLU 11 HG2 GLU 11 -7.919 -3.380 7.568 91 HG3 GLU 11 HG3 GLU 11 -6.831 -2.601 6.427 92 H HIS 12 H HIS 12 -5.021 -0.546 8.965 93 HA HIS 12 HA HIS 12 -4.128 1.085 10.200 94 HB2 HIS 12 HB2 HIS 12 -3.793 0.535 12.592 95 HB3 HIS 12 HB3 HIS 12 -5.242 -0.180 11.918 96 HD1 HIS 12 HD1 HIS 12 -5.194 -2.831 11.547 97 HD2 HIS 12 HD2 HIS 12 -2.026 -1.281 13.746 98 HE1 HIS 12 HE1 HIS 12 -4.180 -4.788 12.736 99 HE2 HIS 12 HE2 HIS 12 -2.175 -3.852 13.926 100 H VAL 13 H VAL 13 -2.393 1.681 8.881 101 HA VAL 13 HA VAL 13 0.323 1.020 9.924 102 HB VAL 13 HB VAL 13 -0.411 1.775 7.056 103 HG11 VAL 13 HG11 VAL 13 1.916 1.175 6.485 104 HG12 VAL 13 HG12 VAL 13 2.261 0.862 8.188 105 HG13 VAL 13 HG13 VAL 13 1.864 2.494 7.655 106 HG21 VAL 13 HG21 VAL 13 -1.253 -0.465 7.608 107 HG22 VAL 13 HG22 VAL 13 0.354 -0.948 8.157 108 HG23 VAL 13 HG23 VAL 13 0.082 -0.555 6.459 109 H PHE 14 H PHE 14 0.751 2.772 11.219 110 HA PHE 14 HA PHE 14 0.331 5.516 10.209 111 HB2 PHE 14 HB2 PHE 14 1.141 4.497 12.973 112 HB3 PHE 14 HB3 PHE 14 0.953 6.198 12.552 113 HD1 PHE 14 HD1 PHE 14 -0.937 2.962 12.752 114 HD2 PHE 14 HD2 PHE 14 -1.200 7.233 12.663 115 HE1 PHE 14 HE1 PHE 14 -3.340 2.831 13.278 116 HE2 PHE 14 HE2 PHE 14 -3.600 7.088 13.197 117 HZ PHE 14 HZ PHE 14 -4.673 4.892 13.502 118 H VAL 15 H VAL 15 1.951 6.330 9.035 119 HA VAL 15 HA VAL 15 4.757 5.499 9.509 120 HB VAL 15 HB VAL 15 3.686 6.836 6.985 121 HG11 VAL 15 HG11 VAL 15 5.719 5.936 5.918 122 HG12 VAL 15 HG12 VAL 15 6.213 5.214 7.450 123 HG13 VAL 15 HG13 VAL 15 6.121 6.967 7.294 124 HG21 VAL 15 HG21 VAL 15 3.561 4.612 5.909 125 HG22 VAL 15 HG22 VAL 15 2.428 4.746 7.253 126 HG23 VAL 15 HG23 VAL 15 3.927 3.840 7.454 127 H HIS 16 H HIS 16 5.747 7.036 10.795 128 HA HIS 16 HA HIS 16 5.235 9.889 10.427 129 HB2 HIS 16 HB2 HIS 16 5.631 9.091 12.717 130 HB3 HIS 16 HB3 HIS 16 7.203 8.446 12.257 131 HD1 HIS 16 HD1 HIS 16 9.058 9.943 12.976 132 HD2 HIS 16 HD2 HIS 16 5.623 12.100 12.070 133 HE1 HIS 16 HE1 HIS 16 9.658 12.345 13.331 134 HE2 HIS 16 HE2 HIS 16 7.519 13.601 12.983 135 H ALA 17 H ALA 17 6.468 11.261 9.267 136 HA ALA 17 HA ALA 17 9.229 10.623 8.516 137 HB1 ALA 17 HB1 ALA 17 7.133 11.300 6.420 138 HB2 ALA 17 HB2 ALA 17 7.891 9.723 6.643 139 HB3 ALA 17 HB3 ALA 17 8.866 11.102 6.130 140 H ILE 18 H ILE 18 10.310 12.510 7.479 141 HA ILE 18 HA ILE 18 9.333 15.134 8.457 142 HB ILE 18 HB ILE 18 12.094 14.375 7.348 143 HG12 ILE 18 HG12 ILE 18 11.234 14.716 10.266 144 HG13 ILE 18 HG13 ILE 18 11.561 13.178 9.481 145 HG21 ILE 18 HG21 ILE 18 11.653 16.799 7.121 146 HG22 ILE 18 HG22 ILE 18 12.907 16.505 8.322 147 HG23 ILE 18 HG23 ILE 18 11.268 16.906 8.839 148 HD11 ILE 18 HD11 ILE 18 13.909 13.813 9.212 149 HD12 ILE 18 HD12 ILE 18 13.401 13.863 10.899 150 HD13 ILE 18 HD13 ILE 18 13.579 15.363 9.992 151 H THR 19 H THR 19 9.634 17.025 6.857 152 HA THR 19 HA THR 19 8.420 16.768 4.388 153 HB THR 19 HB THR 19 9.490 18.979 3.783 154 HG1 THR 19 HG1 THR 19 11.516 18.589 4.872 155 HG21 THR 19 HG21 THR 19 8.506 20.305 5.617 156 HG22 THR 19 HG22 THR 19 8.406 18.860 6.622 157 HG23 THR 19 HG23 THR 19 7.432 18.981 5.155 158 H SER 20 H SER 20 8.980 15.899 2.507 159 HA SER 20 HA SER 20 10.060 15.069 0.721 160 HB2 SER 20 HB2 SER 20 11.200 17.269 0.628 161 HB3 SER 20 HB3 SER 20 12.482 16.657 1.669 162 HG SER 20 HG SER 20 13.156 15.313 0.050 163 H GLU 21 H GLU 21 10.287 13.725 3.475 164 HA GLU 21 HA GLU 21 12.701 12.053 3.175 165 HB2 GLU 21 HB2 GLU 21 11.712 13.073 5.409 166 HB3 GLU 21 HB3 GLU 21 10.597 11.724 5.351 167 HG2 GLU 21 HG2 GLU 21 13.605 11.353 5.352 168 HG3 GLU 21 HG3 GLU 21 12.678 11.507 6.837 169 H CYS 22 H CYS 22 12.529 9.676 3.070 170 HA CYS 22 HA CYS 22 10.689 8.806 1.053 171 HB2 CYS 22 HB2 CYS 22 12.693 7.179 2.670 172 HB3 CYS 22 HB3 CYS 22 11.870 6.624 1.213 173 HG CYS 22 HG CYS 22 13.141 9.257 0.114 174 H VAL 23 H VAL 23 8.783 7.782 1.233 175 HA VAL 23 HA VAL 23 8.058 6.247 3.672 176 HB VAL 23 HB VAL 23 6.245 8.068 2.015 177 HG11 VAL 23 HG11 VAL 23 4.981 6.033 2.522 178 HG12 VAL 23 HG12 VAL 23 4.365 7.372 3.489 179 HG13 VAL 23 HG13 VAL 23 5.410 6.157 4.229 180 HG21 VAL 23 HG21 VAL 23 5.864 9.275 4.140 181 HG22 VAL 23 HG22 VAL 23 7.575 9.265 3.710 182 HG23 VAL 23 HG23 VAL 23 6.977 8.181 4.968 183 H MET 24 H MET 24 8.010 4.102 3.071 184 HA MET 24 HA MET 24 6.963 3.388 0.381 185 HB2 MET 24 HB2 MET 24 9.274 2.570 0.860 186 HB3 MET 24 HB3 MET 24 8.666 1.676 2.249 187 HG2 MET 24 HG2 MET 24 7.292 0.281 0.768 188 HG3 MET 24 HG3 MET 24 7.846 1.203 -0.632 189 HE1 MET 24 HE1 MET 24 9.659 -2.233 -1.174 190 HE2 MET 24 HE2 MET 24 8.640 -0.997 -1.911 191 HE3 MET 24 HE3 MET 24 8.024 -1.966 -0.570 192 H LEU 25 H LEU 25 4.782 3.281 0.685 193 HA LEU 25 HA LEU 25 3.495 1.842 2.849 194 HB2 LEU 25 HB2 LEU 25 2.355 2.830 0.207 195 HB3 LEU 25 HB3 LEU 25 1.419 2.321 1.607 196 HG LEU 25 HG LEU 25 3.245 4.758 1.514 197 HD11 LEU 25 HD11 LEU 25 0.221 4.609 1.446 198 HD12 LEU 25 HD12 LEU 25 1.276 5.078 0.111 199 HD13 LEU 25 HD13 LEU 25 1.182 6.088 1.552 200 HD21 LEU 25 HD21 LEU 25 3.123 3.818 3.779 201 HD22 LEU 25 HD22 LEU 25 1.358 3.832 3.712 202 HD23 LEU 25 HD23 LEU 25 2.258 5.350 3.692 203 H ALA 26 H ALA 26 2.180 -0.119 2.504 204 HA ALA 26 HA ALA 26 2.875 -1.843 0.230 205 HB1 ALA 26 HB1 ALA 26 3.740 -3.635 1.685 206 HB2 ALA 26 HB2 ALA 26 3.566 -2.588 3.096 207 HB3 ALA 26 HB3 ALA 26 4.723 -2.176 1.831 208 H CYS 27 H CYS 27 1.123 -3.033 -0.345 209 HA CYS 27 HA CYS 27 -0.605 -4.253 1.659 210 HB2 CYS 27 HB2 CYS 27 -1.734 -2.089 1.262 211 HB3 CYS 27 HB3 CYS 27 -1.790 -2.420 -0.470 212 HG CYS 27 HG CYS 27 -3.200 -4.667 1.622 213 H GLU 28 H GLU 28 -0.515 -6.334 1.058 214 HA GLU 28 HA GLU 28 -0.894 -7.117 -1.775 215 HB2 GLU 28 HB2 GLU 28 0.647 -8.634 0.378 216 HB3 GLU 28 HB3 GLU 28 0.510 -9.081 -1.325 217 HG2 GLU 28 HG2 GLU 28 1.759 -7.075 -1.972 218 HG3 GLU 28 HG3 GLU 28 1.838 -6.565 -0.290 219 H VAL 29 H VAL 29 -2.086 -9.012 -2.152 220 HA VAL 29 HA VAL 29 -4.166 -9.599 -0.125 221 HB VAL 29 HB VAL 29 -5.578 -10.227 -2.185 222 HG11 VAL 29 HG11 VAL 29 -6.195 -7.891 -2.676 223 HG12 VAL 29 HG12 VAL 29 -4.712 -7.325 -1.906 224 HG13 VAL 29 HG13 VAL 29 -5.949 -8.139 -0.947 225 HG21 VAL 29 HG21 VAL 29 -4.893 -9.255 -4.368 226 HG22 VAL 29 HG22 VAL 29 -3.739 -10.471 -3.823 227 HG23 VAL 29 HG23 VAL 29 -3.347 -8.756 -3.668 228 H ASP 30 H ASP 30 -5.233 -11.699 -0.352 229 HA ASP 30 HA ASP 30 -3.370 -13.892 -0.349 230 HB2 ASP 30 HB2 ASP 30 -5.187 -13.697 1.318 231 HB3 ASP 30 HB3 ASP 30 -6.390 -13.816 0.041 232 H ARG 31 H ARG 31 -5.710 -12.601 -2.604 233 HA ARG 31 HA ARG 31 -5.314 -14.885 -4.466 234 HB2 ARG 31 HB2 ARG 31 -7.679 -14.556 -3.723 235 HB3 ARG 31 HB3 ARG 31 -7.642 -12.916 -4.354 236 HG2 ARG 31 HG2 ARG 31 -8.822 -14.397 -5.891 237 HG3 ARG 31 HG3 ARG 31 -7.344 -13.792 -6.643 238 HD2 ARG 31 HD2 ARG 31 -7.700 -16.181 -7.131 239 HD3 ARG 31 HD3 ARG 31 -6.219 -15.935 -6.203 240 HE ARG 31 HE ARG 31 -7.989 -16.495 -4.259 241 HH11 ARG 31 HH11 ARG 31 -7.423 -18.154 -7.250 242 HH12 ARG 31 HH12 ARG 31 -7.775 -19.697 -6.557 243 HH21 ARG 31 HH21 ARG 31 -8.407 -18.502 -3.419 244 HH22 ARG 31 HH22 ARG 31 -8.316 -19.893 -4.443 245 H GLU 32 H GLU 32 -3.752 -14.336 -5.855 246 HA GLU 32 HA GLU 32 -2.837 -11.762 -6.532 247 HB2 GLU 32 HB2 GLU 32 -1.401 -12.821 -8.168 248 HB3 GLU 32 HB3 GLU 32 -1.480 -13.853 -6.754 249 HG2 GLU 32 HG2 GLU 32 -2.960 -14.323 -9.366 250 HG3 GLU 32 HG3 GLU 32 -1.483 -15.135 -8.857 251 H ASP 33 H ASP 33 -5.326 -13.723 -7.987 252 HA ASP 33 HA ASP 33 -5.613 -12.396 -10.474 253 HB2 ASP 33 HB2 ASP 33 -6.443 -14.697 -9.944 254 HB3 ASP 33 HB3 ASP 33 -7.665 -13.999 -8.888 255 H ALA 34 H ALA 34 -6.606 -11.459 -7.274 256 HA ALA 34 HA ALA 34 -8.126 -9.152 -8.374 257 HB1 ALA 34 HB1 ALA 34 -8.768 -10.640 -5.806 258 HB2 ALA 34 HB2 ALA 34 -9.689 -10.732 -7.307 259 HB3 ALA 34 HB3 ALA 34 -9.606 -9.211 -6.417 260 HA PRO 35 HA PRO 35 -4.573 -7.453 -5.852 261 HB2 PRO 35 HB2 PRO 35 -4.110 -5.557 -8.045 262 HB3 PRO 35 HB3 PRO 35 -3.048 -6.837 -7.456 263 HG2 PRO 35 HG2 PRO 35 -4.254 -6.926 -9.909 264 HG3 PRO 35 HG3 PRO 35 -3.845 -8.386 -8.982 265 HD2 PRO 35 HD2 PRO 35 -6.513 -6.971 -9.205 266 HD3 PRO 35 HD3 PRO 35 -6.147 -8.711 -9.322 267 H VAL 36 H VAL 36 -4.059 -4.951 -5.383 268 HA VAL 36 HA VAL 36 -6.651 -3.842 -4.533 269 HB VAL 36 HB VAL 36 -5.632 -2.805 -2.714 270 HG11 VAL 36 HG11 VAL 36 -5.447 -5.227 -2.444 271 HG12 VAL 36 HG12 VAL 36 -4.089 -4.425 -1.651 272 HG13 VAL 36 HG13 VAL 36 -3.857 -5.216 -3.214 273 HG21 VAL 36 HG21 VAL 36 -2.962 -2.837 -4.158 274 HG22 VAL 36 HG22 VAL 36 -3.181 -2.299 -2.494 275 HG23 VAL 36 HG23 VAL 36 -3.962 -1.428 -3.815 276 H ARG 37 H ARG 37 -7.037 -1.586 -4.537 277 HA ARG 37 HA ARG 37 -5.807 0.001 -6.726 278 HB2 ARG 37 HB2 ARG 37 -8.661 -0.029 -5.628 279 HB3 ARG 37 HB3 ARG 37 -8.074 1.168 -6.782 280 HG2 ARG 37 HG2 ARG 37 -7.879 -0.419 -8.522 281 HG3 ARG 37 HG3 ARG 37 -7.931 -1.785 -7.409 282 HD2 ARG 37 HD2 ARG 37 -10.309 0.056 -7.777 283 HD3 ARG 37 HD3 ARG 37 -10.032 -1.333 -8.832 284 HE ARG 37 HE ARG 37 -9.885 -2.363 -6.303 285 HH11 ARG 37 HH11 ARG 37 -12.348 -0.526 -7.915 286 HH12 ARG 37 HH12 ARG 37 -13.627 -1.396 -7.146 287 HH21 ARG 37 HH21 ARG 37 -11.532 -3.440 -5.360 288 HH22 ARG 37 HH22 ARG 37 -13.168 -3.010 -5.706 289 H TRP 38 H TRP 38 -4.768 1.830 -6.034 290 HA TRP 38 HA TRP 38 -4.781 2.507 -3.185 291 HB2 TRP 38 HB2 TRP 38 -3.015 3.386 -5.503 292 HB3 TRP 38 HB3 TRP 38 -2.872 4.075 -3.889 293 HD1 TRP 38 HD1 TRP 38 -2.177 0.825 -5.827 294 HE1 TRP 38 HE1 TRP 38 -0.601 -0.633 -4.415 295 HE3 TRP 38 HE3 TRP 38 -2.191 3.557 -1.494 296 HZ2 TRP 38 HZ2 TRP 38 0.474 -0.647 -1.806 297 HZ3 TRP 38 HZ3 TRP 38 -0.876 2.742 0.418 298 HH2 TRP 38 HH2 TRP 38 0.435 0.677 0.265 299 H TYR 39 H TYR 39 -5.534 4.362 -2.293 300 HA TYR 39 HA TYR 39 -6.599 6.575 -3.941 301 HB2 TYR 39 HB2 TYR 39 -8.135 5.179 -1.695 302 HB3 TYR 39 HB3 TYR 39 -8.651 6.666 -2.487 303 HD1 TYR 39 HD2 TYR 39 -9.317 6.607 -4.920 304 HD2 TYR 39 HD1 TYR 39 -8.555 3.022 -2.728 305 HE1 TYR 39 HE2 TYR 39 -10.432 5.299 -6.672 306 HE2 TYR 39 HE1 TYR 39 -9.666 1.716 -4.490 307 HH TYR 39 HH TYR 39 -10.319 2.930 -7.535 308 H LYS 40 H LYS 40 -6.009 8.538 -3.140 309 HA LYS 40 HA LYS 40 -4.939 8.754 -0.379 310 HB2 LYS 40 HB2 LYS 40 -3.223 9.182 -2.032 311 HB3 LYS 40 HB3 LYS 40 -4.267 10.292 -2.913 312 HG2 LYS 40 HG2 LYS 40 -4.146 11.915 -1.094 313 HG3 LYS 40 HG3 LYS 40 -3.195 10.794 -0.115 314 HD2 LYS 40 HD2 LYS 40 -1.312 10.948 -1.619 315 HD3 LYS 40 HD3 LYS 40 -2.261 11.811 -2.829 316 HE2 LYS 40 HE2 LYS 40 -0.699 13.295 -1.603 317 HE3 LYS 40 HE3 LYS 40 -2.382 13.775 -1.379 318 HZ1 LYS 40 HZ1 LYS 40 -1.145 13.857 0.684 319 HZ2 LYS 40 HZ2 LYS 40 -0.752 12.214 0.555 320 HZ3 LYS 40 HZ3 LYS 40 -2.361 12.687 0.779 321 H ASP 41 H ASP 41 -6.675 9.369 0.795 322 HA ASP 41 HA ASP 41 -8.198 10.678 1.818 323 HB2 ASP 41 HB2 ASP 41 -6.054 12.094 1.750 324 HB3 ASP 41 HB3 ASP 41 -6.795 13.010 0.445 325 H GLY 42 H GLY 42 -8.935 9.756 -0.935 326 HA2 GLY 42 HA2 GLY 42 -11.367 10.106 -1.523 327 HA3 GLY 42 HA3 GLY 42 -10.959 11.805 -1.713 328 H GLN 43 H GLN 43 -8.420 11.390 -3.007 329 HA GLN 43 HA GLN 43 -9.329 10.981 -5.749 330 HB2 GLN 43 HB2 GLN 43 -6.510 11.641 -4.765 331 HB3 GLN 43 HB3 GLN 43 -7.075 11.730 -6.425 332 HG2 GLN 43 HG2 GLN 43 -7.044 13.961 -5.767 333 HG3 GLN 43 HG3 GLN 43 -8.738 13.528 -5.552 334 HE21 GLN 43 HE21 GLN 43 -9.555 13.371 -3.412 335 HE22 GLN 43 HE22 GLN 43 -8.704 14.019 -2.063 336 H GLU 44 H GLU 44 -8.201 9.507 -7.273 337 HA GLU 44 HA GLU 44 -7.246 7.019 -6.022 338 HB2 GLU 44 HB2 GLU 44 -9.008 6.947 -7.810 339 HB3 GLU 44 HB3 GLU 44 -7.840 7.585 -8.962 340 HG2 GLU 44 HG2 GLU 44 -6.468 5.578 -8.746 341 HG3 GLU 44 HG3 GLU 44 -7.509 4.963 -7.463 342 H VAL 45 H VAL 45 -5.134 6.456 -5.980 343 HA VAL 45 HA VAL 45 -3.131 8.366 -6.824 344 HB VAL 45 HB VAL 45 -2.733 5.639 -5.518 345 HG11 VAL 45 HG11 VAL 45 -0.685 6.418 -6.614 346 HG12 VAL 45 HG12 VAL 45 -0.501 6.484 -4.863 347 HG13 VAL 45 HG13 VAL 45 -0.795 7.967 -5.773 348 HG21 VAL 45 HG21 VAL 45 -4.092 7.071 -4.065 349 HG22 VAL 45 HG22 VAL 45 -2.911 8.375 -4.199 350 HG23 VAL 45 HG23 VAL 45 -2.477 6.872 -3.383 351 H GLU 46 H GLU 46 -2.302 8.382 -8.827 352 HA GLU 46 HA GLU 46 -1.696 5.827 -10.227 353 HB2 GLU 46 HB2 GLU 46 -1.852 7.081 -12.350 354 HB3 GLU 46 HB3 GLU 46 -3.359 7.167 -11.443 355 HG2 GLU 46 HG2 GLU 46 -2.749 9.443 -10.659 356 HG3 GLU 46 HG3 GLU 46 -1.265 9.360 -11.611 357 H GLU 47 H GLU 47 0.240 6.016 -11.714 358 HA GLU 47 HA GLU 47 2.518 6.997 -10.214 359 HB2 GLU 47 HB2 GLU 47 2.444 5.595 -12.919 360 HB3 GLU 47 HB3 GLU 47 3.875 5.851 -11.919 361 HG2 GLU 47 HG2 GLU 47 2.885 4.429 -10.152 362 HG3 GLU 47 HG3 GLU 47 1.470 4.164 -11.167 363 H SER 48 H SER 48 2.705 9.170 -10.295 364 HA SER 48 HA SER 48 3.367 10.521 -12.792 365 HB2 SER 48 HB2 SER 48 0.962 11.435 -11.131 366 HB3 SER 48 HB3 SER 48 1.686 12.360 -12.441 367 HG SER 48 HG SER 48 1.250 10.321 -13.706 368 H ASP 49 H ASP 49 4.360 12.588 -12.465 369 HA ASP 49 HA ASP 49 5.668 14.162 -11.531 370 HB2 ASP 49 HB2 ASP 49 4.120 13.606 -8.962 371 HB3 ASP 49 HB3 ASP 49 5.167 14.999 -9.237 372 H PHE 50 H PHE 50 5.426 12.080 -8.656 373 HA PHE 50 HA PHE 50 8.120 10.994 -9.003 374 HB2 PHE 50 HB2 PHE 50 8.733 11.662 -6.594 375 HB3 PHE 50 HB3 PHE 50 8.732 12.961 -7.778 376 HD1 PHE 50 HD1 PHE 50 7.038 14.747 -7.697 377 HD2 PHE 50 HD2 PHE 50 7.035 11.610 -4.788 378 HE1 PHE 50 HE1 PHE 50 5.506 16.053 -6.286 379 HE2 PHE 50 HE2 PHE 50 5.505 12.933 -3.386 380 HZ PHE 50 HZ PHE 50 4.740 15.147 -4.131 381 H VAL 51 H VAL 51 4.924 10.652 -8.063 382 HA VAL 51 HA VAL 51 5.149 8.568 -6.083 383 HB VAL 51 HB VAL 51 2.724 9.224 -7.827 384 HG11 VAL 51 HG11 VAL 51 1.404 8.252 -5.969 385 HG12 VAL 51 HG12 VAL 51 2.894 7.888 -5.098 386 HG13 VAL 51 HG13 VAL 51 2.551 7.080 -6.627 387 HG21 VAL 51 HG21 VAL 51 3.468 10.486 -5.157 388 HG22 VAL 51 HG22 VAL 51 1.955 10.743 -6.025 389 HG23 VAL 51 HG23 VAL 51 3.476 11.295 -6.725 390 H VAL 52 H VAL 52 5.546 6.404 -6.506 391 HA VAL 52 HA VAL 52 4.885 5.300 -9.190 392 HB VAL 52 HB VAL 52 6.868 3.822 -9.101 393 HG11 VAL 52 HG11 VAL 52 7.066 5.956 -10.291 394 HG12 VAL 52 HG12 VAL 52 8.607 5.519 -9.557 395 HG13 VAL 52 HG13 VAL 52 7.598 6.758 -8.811 396 HG21 VAL 52 HG21 VAL 52 8.688 4.174 -7.450 397 HG22 VAL 52 HG22 VAL 52 7.204 3.634 -6.667 398 HG23 VAL 52 HG23 VAL 52 7.676 5.331 -6.580 399 H LEU 53 H LEU 53 4.231 3.129 -9.270 400 HA LEU 53 HA LEU 53 3.314 1.919 -6.715 401 HB2 LEU 53 HB2 LEU 53 1.920 1.906 -9.429 402 HB3 LEU 53 HB3 LEU 53 1.360 1.036 -8.009 403 HG LEU 53 HG LEU 53 1.551 4.070 -8.214 404 HD11 LEU 53 HD11 LEU 53 -0.900 4.078 -8.340 405 HD12 LEU 53 HD12 LEU 53 -0.916 2.312 -8.377 406 HD13 LEU 53 HD13 LEU 53 -0.192 3.218 -9.707 407 HD21 LEU 53 HD21 LEU 53 0.338 2.336 -6.035 408 HD22 LEU 53 HD22 LEU 53 0.273 4.099 -6.111 409 HD23 LEU 53 HD23 LEU 53 1.822 3.285 -5.910 410 H GLU 54 H GLU 54 4.390 0.059 -6.357 411 HA GLU 54 HA GLU 54 5.705 -1.395 -8.556 412 HB2 GLU 54 HB2 GLU 54 5.956 -1.844 -5.548 413 HB3 GLU 54 HB3 GLU 54 7.036 -2.449 -6.800 414 HG2 GLU 54 HG2 GLU 54 6.667 0.466 -6.029 415 HG3 GLU 54 HG3 GLU 54 8.002 -0.564 -5.524 416 H ASN 55 H ASN 55 4.880 -3.315 -9.302 417 HA ASN 55 HA ASN 55 2.889 -4.776 -7.692 418 HB2 ASN 55 HB2 ASN 55 1.359 -5.021 -9.582 419 HB3 ASN 55 HB3 ASN 55 1.608 -3.324 -9.225 420 HD21 ASN 55 HD21 ASN 55 3.999 -2.829 -10.616 421 HD22 ASN 55 HD22 ASN 55 3.711 -3.046 -12.297 422 H GLU 56 H GLU 56 2.686 -6.954 -8.079 423 HA GLU 56 HA GLU 56 3.971 -8.441 -10.145 424 HB2 GLU 56 HB2 GLU 56 6.026 -7.860 -8.890 425 HB3 GLU 56 HB3 GLU 56 5.313 -8.459 -7.399 426 HG2 GLU 56 HG2 GLU 56 5.308 -10.762 -8.355 427 HG3 GLU 56 HG3 GLU 56 6.077 -10.135 -9.816 428 H GLY 57 H GLY 57 1.922 -9.425 -10.264 429 HA2 GLY 57 HA2 GLY 57 0.236 -10.906 -9.796 430 HA3 GLY 57 HA3 GLY 57 1.293 -11.633 -8.603 431 HA PRO 58 HA PRO 58 -1.675 -9.722 -5.670 432 HB2 PRO 58 HB2 PRO 58 -0.799 -10.814 -3.370 433 HB3 PRO 58 HB3 PRO 58 -1.599 -11.806 -4.599 434 HG2 PRO 58 HG2 PRO 58 1.350 -11.487 -4.047 435 HG3 PRO 58 HG3 PRO 58 0.425 -12.977 -4.328 436 HD2 PRO 58 HD2 PRO 58 1.892 -11.696 -6.291 437 HD3 PRO 58 HD3 PRO 58 0.476 -12.716 -6.635 438 H HIS 59 H HIS 59 1.726 -9.167 -5.877 439 HA HIS 59 HA HIS 59 2.147 -7.499 -3.587 440 HB2 HIS 59 HB2 HIS 59 3.740 -7.715 -6.177 441 HB3 HIS 59 HB3 HIS 59 4.264 -6.814 -4.760 442 HD1 HIS 59 HD1 HIS 59 6.272 -8.142 -4.137 443 HD2 HIS 59 HD2 HIS 59 2.929 -10.544 -4.632 444 HE1 HIS 59 HE1 HIS 59 6.963 -10.416 -3.364 445 HE2 HIS 59 HE2 HIS 59 4.984 -11.888 -3.837 446 H ARG 60 H ARG 60 1.342 -5.490 -3.311 447 HA ARG 60 HA ARG 60 1.397 -3.522 -5.514 448 HB2 ARG 60 HB2 ARG 60 -0.996 -4.065 -3.704 449 HB3 ARG 60 HB3 ARG 60 -0.824 -2.591 -4.642 450 HG2 ARG 60 HG2 ARG 60 -0.972 -5.373 -5.841 451 HG3 ARG 60 HG3 ARG 60 -2.352 -4.284 -5.660 452 HD2 ARG 60 HD2 ARG 60 -1.128 -2.607 -7.078 453 HD3 ARG 60 HD3 ARG 60 0.134 -3.815 -7.342 454 HE ARG 60 HE ARG 60 -1.737 -5.223 -8.309 455 HH11 ARG 60 HH11 ARG 60 -1.851 -1.766 -8.476 456 HH12 ARG 60 HH12 ARG 60 -2.790 -1.773 -9.926 457 HH21 ARG 60 HH21 ARG 60 -2.952 -5.179 -10.163 458 HH22 ARG 60 HH22 ARG 60 -3.409 -3.665 -10.855 459 H ARG 61 H ARG 61 3.215 -2.558 -4.539 460 HA ARG 61 HA ARG 61 2.849 -1.377 -1.843 461 HB2 ARG 61 HB2 ARG 61 5.451 -2.426 -3.047 462 HB3 ARG 61 HB3 ARG 61 5.284 -1.656 -1.470 463 HG2 ARG 61 HG2 ARG 61 3.693 -3.541 -0.831 464 HG3 ARG 61 HG3 ARG 61 4.147 -4.339 -2.334 465 HD2 ARG 61 HD2 ARG 61 6.480 -4.466 -1.581 466 HD3 ARG 61 HD3 ARG 61 6.066 -3.599 -0.094 467 HE ARG 61 HE ARG 61 4.943 -6.254 -0.794 468 HH11 ARG 61 HH11 ARG 61 6.348 -4.173 1.583 469 HH12 ARG 61 HH12 ARG 61 6.101 -5.316 2.852 470 HH21 ARG 61 HH21 ARG 61 4.674 -7.688 0.884 471 HH22 ARG 61 HH22 ARG 61 5.203 -7.246 2.466 472 H LEU 62 H LEU 62 2.693 0.760 -1.926 473 HA LEU 62 HA LEU 62 3.541 2.353 -4.199 474 HB2 LEU 62 HB2 LEU 62 1.398 2.651 -2.822 475 HB3 LEU 62 HB3 LEU 62 2.390 3.302 -1.536 476 HG LEU 62 HG LEU 62 2.145 4.571 -4.305 477 HD11 LEU 62 HD11 LEU 62 0.657 5.323 -1.766 478 HD12 LEU 62 HD12 LEU 62 -0.042 4.575 -3.203 479 HD13 LEU 62 HD13 LEU 62 0.611 6.208 -3.297 480 HD21 LEU 62 HD21 LEU 62 4.190 5.279 -3.157 481 HD22 LEU 62 HD22 LEU 62 3.263 5.733 -1.726 482 HD23 LEU 62 HD23 LEU 62 3.043 6.613 -3.243 483 H VAL 63 H VAL 63 5.648 2.993 -4.376 484 HA VAL 63 HA VAL 63 7.193 3.629 -1.928 485 HB VAL 63 HB VAL 63 8.218 3.277 -4.784 486 HG11 VAL 63 HG11 VAL 63 10.492 3.295 -3.783 487 HG12 VAL 63 HG12 VAL 63 9.794 3.656 -2.203 488 HG13 VAL 63 HG13 VAL 63 9.653 4.823 -3.518 489 HG21 VAL 63 HG21 VAL 63 8.459 1.381 -2.409 490 HG22 VAL 63 HG22 VAL 63 9.175 1.137 -4.004 491 HG23 VAL 63 HG23 VAL 63 7.423 1.143 -3.818 492 H LEU 64 H LEU 64 7.542 5.673 -1.382 493 HA LEU 64 HA LEU 64 7.114 7.870 -3.329 494 HB2 LEU 64 HB2 LEU 64 5.444 7.397 -1.247 495 HB3 LEU 64 HB3 LEU 64 6.644 8.334 -0.385 496 HG LEU 64 HG LEU 64 4.829 9.795 -1.046 497 HD11 LEU 64 HD11 LEU 64 7.071 10.784 -1.140 498 HD12 LEU 64 HD12 LEU 64 5.959 11.534 -2.279 499 HD13 LEU 64 HD13 LEU 64 7.174 10.392 -2.859 500 HD21 LEU 64 HD21 LEU 64 5.281 8.898 -3.907 501 HD22 LEU 64 HD22 LEU 64 4.148 10.143 -3.374 502 HD23 LEU 64 HD23 LEU 64 3.909 8.470 -2.880 503 HA PRO 65 HA PRO 65 11.529 8.325 -2.153 504 HB2 PRO 65 HB2 PRO 65 12.192 10.193 -4.069 505 HB3 PRO 65 HB3 PRO 65 12.065 8.461 -4.396 506 HG2 PRO 65 HG2 PRO 65 10.033 10.634 -4.889 507 HG3 PRO 65 HG3 PRO 65 10.534 9.307 -5.962 508 HD2 PRO 65 HD2 PRO 65 8.247 9.183 -4.503 509 HD3 PRO 65 HD3 PRO 65 9.225 7.730 -4.830 510 H ALA 66 H ALA 66 9.777 11.370 -3.019 511 HA ALA 66 HA ALA 66 10.951 12.686 -0.627 512 HB1 ALA 66 HB1 ALA 66 10.957 14.787 -1.899 513 HB2 ALA 66 HB2 ALA 66 10.284 13.957 -3.306 514 HB3 ALA 66 HB3 ALA 66 11.901 13.552 -2.732 515 H THR 67 H THR 67 9.168 12.171 0.703 516 HA THR 67 HA THR 67 6.445 12.808 -0.096 517 HB THR 67 HB THR 67 7.367 11.921 2.673 518 HG1 THR 67 HG1 THR 67 7.861 10.109 1.720 519 HG21 THR 67 HG21 THR 67 4.680 11.598 1.265 520 HG22 THR 67 HG22 THR 67 5.018 12.739 2.569 521 HG23 THR 67 HG23 THR 67 5.084 11.005 2.879 522 H GLN 68 H GLN 68 6.201 14.979 -0.306 523 HA GLN 68 HA GLN 68 7.035 16.975 1.579 524 HB2 GLN 68 HB2 GLN 68 4.951 17.064 -0.653 525 HB3 GLN 68 HB3 GLN 68 5.560 18.476 0.201 526 HG2 GLN 68 HG2 GLN 68 7.803 18.103 -0.703 527 HG3 GLN 68 HG3 GLN 68 7.269 16.613 -1.478 528 HE21 GLN 68 HE21 GLN 68 7.052 20.112 -1.552 529 HE22 GLN 68 HE22 GLN 68 6.443 20.233 -3.161 530 HA PRO 69 HA PRO 69 3.660 16.946 4.607 531 HB2 PRO 69 HB2 PRO 69 2.787 19.595 4.703 532 HB3 PRO 69 HB3 PRO 69 4.221 18.978 5.531 533 HG2 PRO 69 HG2 PRO 69 4.027 20.399 2.880 534 HG3 PRO 69 HG3 PRO 69 5.190 20.647 4.202 535 HD2 PRO 69 HD2 PRO 69 5.865 19.245 2.015 536 HD3 PRO 69 HD3 PRO 69 6.438 18.741 3.621 537 H SER 70 H SER 70 2.912 18.141 1.374 538 HA SER 70 HA SER 70 0.022 17.813 1.702 539 HB2 SER 70 HB2 SER 70 1.688 18.388 -0.776 540 HB3 SER 70 HB3 SER 70 -0.075 18.377 -0.731 541 HG SER 70 HG SER 70 0.365 20.448 -0.373 542 H ASP 71 H ASP 71 2.632 15.717 1.029 543 HA ASP 71 HA ASP 71 1.000 13.768 -0.463 544 HB2 ASP 71 HB2 ASP 71 3.995 13.878 0.067 545 HB3 ASP 71 HB3 ASP 71 3.195 12.569 -0.809 546 H GLY 72 H GLY 72 1.518 14.389 2.718 547 HA2 GLY 72 HA2 GLY 72 1.598 11.683 3.753 548 HA3 GLY 72 HA3 GLY 72 1.247 13.150 4.649 549 H GLY 73 H GLY 73 -0.638 12.604 5.724 550 HA2 GLY 73 HA2 GLY 73 -2.945 12.650 5.911 551 HA3 GLY 73 HA3 GLY 73 -3.067 12.703 4.161 552 H GLU 74 H GLU 74 -4.893 11.244 4.445 553 HA GLU 74 HA GLU 74 -4.387 8.517 5.401 554 HB2 GLU 74 HB2 GLU 74 -6.947 9.881 4.476 555 HB3 GLU 74 HB3 GLU 74 -6.859 8.232 5.098 556 HG2 GLU 74 HG2 GLU 74 -6.054 9.083 7.266 557 HG3 GLU 74 HG3 GLU 74 -6.118 10.733 6.647 558 H PHE 75 H PHE 75 -3.939 6.866 4.079 559 HA PHE 75 HA PHE 75 -4.732 6.924 1.224 560 HB2 PHE 75 HB2 PHE 75 -2.486 5.377 2.581 561 HB3 PHE 75 HB3 PHE 75 -2.960 5.145 0.903 562 HD1 PHE 75 HD2 PHE 75 -1.503 7.607 3.303 563 HD2 PHE 75 HD1 PHE 75 -2.186 6.633 -0.808 564 HE1 PHE 75 HE2 PHE 75 0.035 9.399 2.615 565 HE2 PHE 75 HE1 PHE 75 -0.643 8.428 -1.483 566 HZ PHE 75 HZ PHE 75 0.469 9.812 0.225 567 H GLN 76 H GLN 76 -5.277 4.776 0.312 568 HA GLN 76 HA GLN 76 -6.567 2.843 2.098 569 HB2 GLN 76 HB2 GLN 76 -8.257 4.623 1.757 570 HB3 GLN 76 HB3 GLN 76 -8.094 4.466 0.013 571 HG2 GLN 76 HG2 GLN 76 -8.976 2.152 0.159 572 HG3 GLN 76 HG3 GLN 76 -9.166 2.348 1.901 573 HE21 GLN 76 HE21 GLN 76 -9.900 4.842 -0.514 574 HE22 GLN 76 HE22 GLN 76 -11.603 4.845 -0.243 575 H CYS 77 H CYS 77 -6.833 0.796 1.135 576 HA CYS 77 HA CYS 77 -5.982 0.437 -1.686 577 HB2 CYS 77 HB2 CYS 77 -5.096 -1.178 0.728 578 HB3 CYS 77 HB3 CYS 77 -4.811 -1.667 -0.941 579 HG CYS 77 HG CYS 77 -2.845 -0.093 -1.461 580 H VAL 78 H VAL 78 -7.983 0.002 -2.540 581 HA VAL 78 HA VAL 78 -9.810 -1.897 -1.223 582 HB VAL 78 HB VAL 78 -10.311 -0.198 -3.713 583 HG11 VAL 78 HG11 VAL 78 -11.834 -2.116 -3.548 584 HG12 VAL 78 HG12 VAL 78 -12.709 -0.614 -3.254 585 HG13 VAL 78 HG13 VAL 78 -12.271 -1.660 -1.900 586 HG21 VAL 78 HG21 VAL 78 -9.835 1.269 -1.805 587 HG22 VAL 78 HG22 VAL 78 -11.043 0.433 -0.826 588 HG23 VAL 78 HG23 VAL 78 -11.542 1.363 -2.241 589 H ALA 79 H ALA 79 -9.397 -3.991 -1.712 590 HA ALA 79 HA ALA 79 -8.113 -4.842 -4.163 591 HB1 ALA 79 HB1 ALA 79 -8.212 -7.093 -3.183 592 HB2 ALA 79 HB2 ALA 79 -9.267 -6.503 -1.897 593 HB3 ALA 79 HB3 ALA 79 -7.603 -5.926 -2.008 594 H GLY 80 H GLY 80 -11.016 -6.297 -2.732 595 HA2 GLY 80 HA2 GLY 80 -12.876 -5.806 -4.802 596 HA3 GLY 80 HA3 GLY 80 -12.074 -7.346 -5.113 597 H ASP 81 H ASP 81 -12.670 -6.068 -1.913 598 HA ASP 81 HA ASP 81 -14.946 -7.399 -1.043 599 HB2 ASP 81 HB2 ASP 81 -13.802 -9.512 -1.661 600 HB3 ASP 81 HB3 ASP 81 -12.406 -9.061 -0.696 601 H GLU 82 H GLU 82 -11.545 -7.175 0.043 602 HA GLU 82 HA GLU 82 -12.329 -5.676 2.476 603 HB2 GLU 82 HB2 GLU 82 -9.747 -7.166 1.821 604 HB3 GLU 82 HB3 GLU 82 -10.073 -6.327 3.333 605 HG2 GLU 82 HG2 GLU 82 -11.657 -8.707 2.310 606 HG3 GLU 82 HG3 GLU 82 -10.337 -8.804 3.471 607 H CYS 83 H CYS 83 -10.814 -3.939 3.202 608 HA CYS 83 HA CYS 83 -9.105 -2.703 1.178 609 HB2 CYS 83 HB2 CYS 83 -10.126 -0.454 1.448 610 HB3 CYS 83 HB3 CYS 83 -11.252 -1.614 0.753 611 HG CYS 83 HG CYS 83 -12.100 0.399 2.873 612 H ALA 84 H ALA 84 -7.283 -1.868 2.009 613 HA ALA 84 HA ALA 84 -6.873 -1.843 4.918 614 HB1 ALA 84 HB1 ALA 84 -4.852 -1.558 2.663 615 HB2 ALA 84 HB2 ALA 84 -5.250 -3.058 3.502 616 HB3 ALA 84 HB3 ALA 84 -4.478 -1.738 4.382 617 H TYR 85 H TYR 85 -5.731 -0.036 5.956 618 HA TYR 85 HA TYR 85 -6.086 2.601 4.641 619 HB2 TYR 85 HB2 TYR 85 -6.938 1.905 7.487 620 HB3 TYR 85 HB3 TYR 85 -6.927 3.532 6.811 621 HD1 TYR 85 HD2 TYR 85 -8.472 4.068 4.854 622 HD2 TYR 85 HD1 TYR 85 -8.810 0.424 7.070 623 HE1 TYR 85 HE2 TYR 85 -10.734 3.727 3.956 624 HE2 TYR 85 HE1 TYR 85 -11.068 0.090 6.158 625 HH TYR 85 HH TYR 85 -12.862 1.358 5.225 626 H PHE 86 H PHE 86 -4.505 4.035 4.922 627 HA PHE 86 HA PHE 86 -2.233 3.497 6.759 628 HB2 PHE 86 HB2 PHE 86 -2.059 4.726 3.964 629 HB3 PHE 86 HB3 PHE 86 -0.708 4.379 5.034 630 HD1 PHE 86 HD1 PHE 86 -3.461 2.718 3.094 631 HD2 PHE 86 HD2 PHE 86 0.404 2.285 4.872 632 HE1 PHE 86 HE1 PHE 86 -3.214 0.510 2.041 633 HE2 PHE 86 HE2 PHE 86 0.638 0.081 3.813 634 HZ PHE 86 HZ PHE 86 -1.168 -0.810 2.400 635 H THR 87 H THR 87 -1.214 5.385 7.621 636 HA THR 87 HA THR 87 -2.398 8.037 7.120 637 HB THR 87 HB THR 87 -2.096 6.795 9.895 638 HG1 THR 87 HG1 THR 87 -4.458 7.993 9.453 639 HG21 THR 87 HG21 THR 87 -2.859 8.965 10.824 640 HG22 THR 87 HG22 THR 87 -2.787 9.681 9.216 641 HG23 THR 87 HG23 THR 87 -1.305 9.138 10.002 642 H VAL 88 H VAL 88 -0.608 8.928 6.208 643 HA VAL 88 HA VAL 88 2.040 8.632 7.465 644 HB VAL 88 HB VAL 88 1.296 10.018 4.844 645 HG11 VAL 88 HG11 VAL 88 4.037 9.255 5.946 646 HG12 VAL 88 HG12 VAL 88 3.398 10.890 5.784 647 HG13 VAL 88 HG13 VAL 88 3.731 9.933 4.342 648 HG21 VAL 88 HG21 VAL 88 0.809 7.610 4.728 649 HG22 VAL 88 HG22 VAL 88 2.439 7.228 5.284 650 HG23 VAL 88 HG23 VAL 88 2.200 8.004 3.716 651 H THR 89 H THR 89 2.511 10.083 9.044 652 HA THR 89 HA THR 89 1.400 12.833 8.947 653 HB THR 89 HB THR 89 2.597 11.353 11.339 654 HG1 THR 89 HG1 THR 89 -0.074 12.015 11.413 655 HG21 THR 89 HG21 THR 89 1.107 14.009 11.220 656 HG22 THR 89 HG22 THR 89 2.825 13.812 11.571 657 HG23 THR 89 HG23 THR 89 1.620 13.188 12.696 658 H ILE 90 H ILE 90 2.760 14.373 8.256 659 HA ILE 90 HA ILE 90 5.684 13.976 8.253 660 HB ILE 90 HB ILE 90 3.971 16.088 6.871 661 HG12 ILE 90 HG12 ILE 90 3.601 13.829 5.918 662 HG13 ILE 90 HG13 ILE 90 4.420 14.876 4.766 663 HG21 ILE 90 HG21 ILE 90 6.204 16.984 7.290 664 HG22 ILE 90 HG22 ILE 90 5.996 16.671 5.569 665 HG23 ILE 90 HG23 ILE 90 6.947 15.560 6.557 666 HD11 ILE 90 HD11 ILE 90 5.306 12.613 4.738 667 HD12 ILE 90 HD12 ILE 90 5.739 12.736 6.441 668 HD13 ILE 90 HD13 ILE 90 6.538 13.764 5.247 Start of MODEL 16 1 H HIS 1 H1 HIS 1 -14.076 -19.427 -9.343 2 HA HIS 1 HA HIS 1 -13.027 -17.301 -8.895 3 HB2 HIS 1 HB2 HIS 1 -15.130 -17.432 -10.223 4 HB3 HIS 1 HB3 HIS 1 -16.080 -17.267 -8.756 5 HD1 HIS 1 HD1 HIS 1 -16.192 -14.898 -7.676 6 HD2 HIS 1 HD2 HIS 1 -14.103 -15.036 -11.268 7 HE1 HIS 1 HE1 HIS 1 -15.989 -12.519 -8.427 8 HE2 HIS 1 HE2 HIS 1 -14.869 -12.639 -10.669 9 H MET 2 H MET 2 -11.974 -17.448 -6.833 10 HA MET 2 HA MET 2 -13.424 -16.623 -4.430 11 HB2 MET 2 HB2 MET 2 -10.540 -17.486 -4.884 12 HB3 MET 2 HB3 MET 2 -11.138 -16.925 -3.326 13 HG2 MET 2 HG2 MET 2 -11.064 -19.353 -3.395 14 HG3 MET 2 HG3 MET 2 -12.732 -18.795 -3.255 15 HE1 MET 2 HE1 MET 2 -13.006 -22.097 -5.408 16 HE2 MET 2 HE2 MET 2 -13.509 -21.293 -3.922 17 HE3 MET 2 HE3 MET 2 -11.831 -21.801 -4.128 18 HA PRO 3 HA PRO 3 -12.336 -12.302 -5.037 19 HB2 PRO 3 HB2 PRO 3 -12.950 -11.297 -2.599 20 HB3 PRO 3 HB3 PRO 3 -14.200 -11.944 -3.671 21 HG2 PRO 3 HG2 PRO 3 -12.817 -13.294 -1.348 22 HG3 PRO 3 HG3 PRO 3 -14.557 -13.201 -1.707 23 HD2 PRO 3 HD2 PRO 3 -13.043 -15.375 -2.360 24 HD3 PRO 3 HD3 PRO 3 -14.438 -14.864 -3.336 25 H VAL 4 H VAL 4 -11.229 -10.565 -3.057 26 HA VAL 4 HA VAL 4 -8.522 -11.701 -2.627 27 HB VAL 4 HB VAL 4 -8.290 -10.419 -4.627 28 HG11 VAL 4 HG11 VAL 4 -8.903 -8.044 -4.870 29 HG12 VAL 4 HG12 VAL 4 -9.633 -8.059 -3.263 30 HG13 VAL 4 HG13 VAL 4 -10.316 -9.052 -4.551 31 HG21 VAL 4 HG21 VAL 4 -6.646 -8.685 -3.949 32 HG22 VAL 4 HG22 VAL 4 -6.446 -10.178 -3.038 33 HG23 VAL 4 HG23 VAL 4 -7.226 -8.786 -2.285 34 H HIS 5 H HIS 5 -8.633 -11.948 -0.474 35 HA HIS 5 HA HIS 5 -9.507 -9.846 1.329 36 HB2 HIS 5 HB2 HIS 5 -9.792 -12.387 1.733 37 HB3 HIS 5 HB3 HIS 5 -8.081 -12.421 2.137 38 HD1 HIS 5 HD1 HIS 5 -7.370 -11.017 4.313 39 HD2 HIS 5 HD2 HIS 5 -11.463 -11.410 3.703 40 HE1 HIS 5 HE1 HIS 5 -8.448 -10.263 6.444 41 HE2 HIS 5 HE2 HIS 5 -10.904 -10.257 5.945 42 H ILE 6 H ILE 6 -8.189 -8.237 2.042 43 HA ILE 6 HA ILE 6 -5.347 -8.215 1.584 44 HB ILE 6 HB ILE 6 -7.055 -6.317 3.269 45 HG12 ILE 6 HG12 ILE 6 -6.027 -6.108 0.393 46 HG13 ILE 6 HG13 ILE 6 -7.703 -6.317 0.886 47 HG21 ILE 6 HG21 ILE 6 -5.145 -4.733 3.126 48 HG22 ILE 6 HG22 ILE 6 -4.178 -5.959 2.305 49 HG23 ILE 6 HG23 ILE 6 -4.686 -6.208 3.976 50 HD11 ILE 6 HD11 ILE 6 -5.986 -3.887 1.366 51 HD12 ILE 6 HD12 ILE 6 -7.651 -4.088 1.921 52 HD13 ILE 6 HD13 ILE 6 -7.293 -4.057 0.196 53 H VAL 7 H VAL 7 -4.301 -9.798 2.637 54 HA VAL 7 HA VAL 7 -4.709 -10.415 5.449 55 HB VAL 7 HB VAL 7 -2.929 -12.123 5.120 56 HG11 VAL 7 HG11 VAL 7 -5.267 -12.719 4.618 57 HG12 VAL 7 HG12 VAL 7 -4.167 -13.576 3.540 58 HG13 VAL 7 HG13 VAL 7 -5.069 -12.177 2.949 59 HG21 VAL 7 HG21 VAL 7 -1.962 -12.542 2.879 60 HG22 VAL 7 HG22 VAL 7 -1.507 -10.946 3.476 61 HG23 VAL 7 HG23 VAL 7 -2.769 -11.100 2.251 62 H ASP 8 H ASP 8 -2.573 -8.469 3.547 63 HA ASP 8 HA ASP 8 -1.304 -7.385 5.949 64 HB2 ASP 8 HB2 ASP 8 0.338 -8.984 5.129 65 HB3 ASP 8 HB3 ASP 8 0.183 -8.373 3.489 66 HA PRO 9 HA PRO 9 -0.773 -5.549 6.772 67 HB2 PRO 9 HB2 PRO 9 -1.923 -3.228 7.618 68 HB3 PRO 9 HB3 PRO 9 -0.370 -3.268 6.769 69 HG2 PRO 9 HG2 PRO 9 -3.117 -2.693 5.666 70 HG3 PRO 9 HG3 PRO 9 -1.599 -1.809 5.400 71 HD2 PRO 9 HD2 PRO 9 -2.571 -3.621 3.602 72 HD3 PRO 9 HD3 PRO 9 -0.826 -3.361 3.829 73 H ARG 10 H ARG 10 -1.861 -6.333 8.494 74 HA ARG 10 HA ARG 10 -4.392 -7.509 8.343 75 HB2 ARG 10 HB2 ARG 10 -2.646 -6.762 10.721 76 HB3 ARG 10 HB3 ARG 10 -4.137 -7.677 10.903 77 HG2 ARG 10 HG2 ARG 10 -1.785 -8.587 9.216 78 HG3 ARG 10 HG3 ARG 10 -2.064 -9.076 10.890 79 HD2 ARG 10 HD2 ARG 10 -3.885 -9.630 8.520 80 HD3 ARG 10 HD3 ARG 10 -2.864 -10.803 9.362 81 HE ARG 10 HE ARG 10 -4.774 -9.471 11.074 82 HH11 ARG 10 HH11 ARG 10 -4.294 -12.212 9.015 83 HH12 ARG 10 HH12 ARG 10 -5.614 -13.080 9.713 84 HH21 ARG 10 HH21 ARG 10 -6.440 -10.604 11.921 85 HH22 ARG 10 HH22 ARG 10 -6.811 -12.182 11.322 86 H GLU 11 H GLU 11 -3.514 -4.279 9.270 87 HA GLU 11 HA GLU 11 -6.204 -3.356 9.720 88 HB2 GLU 11 HB2 GLU 11 -5.858 -2.759 12.134 89 HB3 GLU 11 HB3 GLU 11 -5.869 -4.498 11.852 90 HG2 GLU 11 HG2 GLU 11 -3.312 -4.396 11.851 91 HG3 GLU 11 HG3 GLU 11 -3.461 -2.736 12.425 92 H HIS 12 H HIS 12 -5.815 -1.083 11.121 93 HA HIS 12 HA HIS 12 -4.717 0.855 9.520 94 HB2 HIS 12 HB2 HIS 12 -4.790 2.305 11.602 95 HB3 HIS 12 HB3 HIS 12 -6.273 1.418 11.279 96 HD1 HIS 12 HD1 HIS 12 -6.713 -0.731 12.834 97 HD2 HIS 12 HD2 HIS 12 -3.675 1.807 14.108 98 HE1 HIS 12 HE1 HIS 12 -6.264 -1.364 15.210 99 HE2 HIS 12 HE2 HIS 12 -4.316 0.062 15.899 100 H VAL 13 H VAL 13 -2.707 1.555 9.043 101 HA VAL 13 HA VAL 13 -0.410 0.920 10.835 102 HB VAL 13 HB VAL 13 -0.387 1.200 7.785 103 HG11 VAL 13 HG11 VAL 13 1.928 0.560 9.662 104 HG12 VAL 13 HG12 VAL 13 1.710 2.053 8.749 105 HG13 VAL 13 HG13 VAL 13 1.996 0.537 7.897 106 HG21 VAL 13 HG21 VAL 13 -1.387 -0.927 8.523 107 HG22 VAL 13 HG22 VAL 13 0.032 -1.276 9.513 108 HG23 VAL 13 HG23 VAL 13 0.175 -1.204 7.754 109 H PHE 14 H PHE 14 0.044 2.760 11.928 110 HA PHE 14 HA PHE 14 -0.178 5.400 10.717 111 HB2 PHE 14 HB2 PHE 14 -0.782 5.038 13.117 112 HB3 PHE 14 HB3 PHE 14 0.888 4.605 13.470 113 HD1 PHE 14 HD1 PHE 14 -1.291 7.399 12.297 114 HD2 PHE 14 HD2 PHE 14 2.516 6.328 13.926 115 HE1 PHE 14 HE1 PHE 14 -0.779 9.774 12.669 116 HE2 PHE 14 HE2 PHE 14 3.014 8.708 14.301 117 HZ PHE 14 HZ PHE 14 1.372 10.432 13.670 118 H VAL 15 H VAL 15 1.374 6.086 9.390 119 HA VAL 15 HA VAL 15 4.191 5.207 9.694 120 HB VAL 15 HB VAL 15 2.780 6.343 7.227 121 HG11 VAL 15 HG11 VAL 15 5.586 5.184 7.475 122 HG12 VAL 15 HG12 VAL 15 5.178 6.879 7.199 123 HG13 VAL 15 HG13 VAL 15 4.806 5.673 5.967 124 HG21 VAL 15 HG21 VAL 15 3.574 3.463 7.825 125 HG22 VAL 15 HG22 VAL 15 2.905 4.046 6.301 126 HG23 VAL 15 HG23 VAL 15 1.929 4.101 7.767 127 H HIS 16 H HIS 16 5.337 6.760 10.832 128 HA HIS 16 HA HIS 16 4.883 9.602 10.399 129 HB2 HIS 16 HB2 HIS 16 5.612 8.965 12.630 130 HB3 HIS 16 HB3 HIS 16 7.039 8.153 11.993 131 HD1 HIS 16 HD1 HIS 16 9.118 9.533 12.055 132 HD2 HIS 16 HD2 HIS 16 5.716 11.921 12.003 133 HE1 HIS 16 HE1 HIS 16 9.949 11.892 12.153 134 HE2 HIS 16 HE2 HIS 16 7.892 13.307 11.941 135 H ALA 17 H ALA 17 5.484 10.434 8.511 136 HA ALA 17 HA ALA 17 7.989 9.642 7.166 137 HB1 ALA 17 HB1 ALA 17 5.698 11.388 6.200 138 HB2 ALA 17 HB2 ALA 17 5.949 9.690 5.799 139 HB3 ALA 17 HB3 ALA 17 7.102 10.905 5.244 140 H ILE 18 H ILE 18 9.516 11.242 6.525 141 HA ILE 18 HA ILE 18 9.427 13.884 7.901 142 HB ILE 18 HB ILE 18 11.866 12.359 6.837 143 HG12 ILE 18 HG12 ILE 18 11.015 12.774 9.747 144 HG13 ILE 18 HG13 ILE 18 10.873 11.265 8.855 145 HG21 ILE 18 HG21 ILE 18 12.235 14.785 6.760 146 HG22 ILE 18 HG22 ILE 18 13.252 14.043 7.993 147 HG23 ILE 18 HG23 ILE 18 11.798 14.925 8.466 148 HD11 ILE 18 HD11 ILE 18 13.324 11.164 8.665 149 HD12 ILE 18 HD12 ILE 18 12.774 11.207 10.339 150 HD13 ILE 18 HD13 ILE 18 13.444 12.659 9.599 151 H THR 19 H THR 19 10.184 15.744 6.591 152 HA THR 19 HA THR 19 9.198 15.942 3.972 153 HB THR 19 HB THR 19 10.514 18.085 3.820 154 HG1 THR 19 HG1 THR 19 12.000 18.589 5.313 155 HG21 THR 19 HG21 THR 19 9.421 19.262 5.690 156 HG22 THR 19 HG22 THR 19 9.094 17.723 6.486 157 HG23 THR 19 HG23 THR 19 8.308 18.106 4.954 158 H SER 20 H SER 20 9.970 15.330 2.056 159 HA SER 20 HA SER 20 11.218 14.567 0.348 160 HB2 SER 20 HB2 SER 20 12.604 16.597 0.771 161 HB3 SER 20 HB3 SER 20 13.646 15.657 1.834 162 HG SER 20 HG SER 20 13.776 15.918 -0.813 163 H GLU 21 H GLU 21 10.910 12.914 2.965 164 HA GLU 21 HA GLU 21 13.155 11.015 2.767 165 HB2 GLU 21 HB2 GLU 21 11.945 11.981 4.954 166 HB3 GLU 21 HB3 GLU 21 10.826 10.661 4.672 167 HG2 GLU 21 HG2 GLU 21 13.820 10.301 5.034 168 HG3 GLU 21 HG3 GLU 21 12.659 10.224 6.354 169 H CYS 22 H CYS 22 12.799 8.724 2.392 170 HA CYS 22 HA CYS 22 10.840 8.190 0.312 171 HB2 CYS 22 HB2 CYS 22 12.976 6.361 1.485 172 HB3 CYS 22 HB3 CYS 22 12.095 6.107 -0.023 173 HG CYS 22 HG CYS 22 13.434 9.034 -0.294 174 H VAL 23 H VAL 23 8.824 7.499 0.818 175 HA VAL 23 HA VAL 23 8.387 5.575 3.055 176 HB VAL 23 HB VAL 23 6.394 7.497 1.755 177 HG11 VAL 23 HG11 VAL 23 4.777 6.772 3.500 178 HG12 VAL 23 HG12 VAL 23 5.929 5.554 4.056 179 HG13 VAL 23 HG13 VAL 23 5.240 5.441 2.437 180 HG21 VAL 23 HG21 VAL 23 6.379 8.656 3.951 181 HG22 VAL 23 HG22 VAL 23 7.979 8.673 3.212 182 HG23 VAL 23 HG23 VAL 23 7.635 7.560 4.537 183 H MET 24 H MET 24 7.728 3.530 2.484 184 HA MET 24 HA MET 24 6.443 3.093 -0.159 185 HB2 MET 24 HB2 MET 24 8.489 1.297 1.212 186 HB3 MET 24 HB3 MET 24 7.552 0.831 -0.203 187 HG2 MET 24 HG2 MET 24 8.606 2.683 -1.478 188 HG3 MET 24 HG3 MET 24 9.587 3.070 -0.063 189 HE1 MET 24 HE1 MET 24 8.561 -0.555 -1.311 190 HE2 MET 24 HE2 MET 24 9.920 -0.929 -2.367 191 HE3 MET 24 HE3 MET 24 8.788 0.351 -2.807 192 H LEU 25 H LEU 25 4.350 2.866 0.448 193 HA LEU 25 HA LEU 25 3.509 1.326 2.757 194 HB2 LEU 25 HB2 LEU 25 1.882 2.462 0.457 195 HB3 LEU 25 HB3 LEU 25 1.222 1.810 1.954 196 HG LEU 25 HG LEU 25 2.917 4.322 1.684 197 HD11 LEU 25 HD11 LEU 25 -0.018 3.981 2.335 198 HD12 LEU 25 HD12 LEU 25 0.659 4.609 0.831 199 HD13 LEU 25 HD13 LEU 25 0.873 5.507 2.331 200 HD21 LEU 25 HD21 LEU 25 1.684 3.118 4.191 201 HD22 LEU 25 HD22 LEU 25 2.461 4.699 4.082 202 HD23 LEU 25 HD23 LEU 25 3.408 3.238 3.824 203 H ALA 26 H ALA 26 3.890 -0.835 2.596 204 HA ALA 26 HA ALA 26 3.477 -2.294 0.092 205 HB1 ALA 26 HB1 ALA 26 4.490 -4.191 1.278 206 HB2 ALA 26 HB2 ALA 26 4.488 -3.271 2.784 207 HB3 ALA 26 HB3 ALA 26 5.497 -2.748 1.435 208 H CYS 27 H CYS 27 1.865 -3.753 -0.256 209 HA CYS 27 HA CYS 27 0.043 -4.577 1.908 210 HB2 CYS 27 HB2 CYS 27 -1.098 -2.701 0.780 211 HB3 CYS 27 HB3 CYS 27 -0.867 -3.470 -0.787 212 HG CYS 27 HG CYS 27 -2.404 -5.674 1.001 213 H GLU 28 H GLU 28 0.211 -6.718 1.945 214 HA GLU 28 HA GLU 28 0.583 -8.273 -0.554 215 HB2 GLU 28 HB2 GLU 28 2.168 -8.380 1.615 216 HB3 GLU 28 HB3 GLU 28 0.921 -9.451 2.226 217 HG2 GLU 28 HG2 GLU 28 2.536 -9.872 -0.308 218 HG3 GLU 28 HG3 GLU 28 2.832 -10.644 1.240 219 H VAL 29 H VAL 29 -1.016 -9.684 -1.159 220 HA VAL 29 HA VAL 29 -3.468 -9.841 0.510 221 HB VAL 29 HB VAL 29 -4.815 -9.548 -1.609 222 HG11 VAL 29 HG11 VAL 29 -4.626 -7.089 -1.715 223 HG12 VAL 29 HG12 VAL 29 -3.083 -7.157 -0.861 224 HG13 VAL 29 HG13 VAL 29 -4.566 -7.663 -0.048 225 HG21 VAL 29 HG21 VAL 29 -3.723 -8.505 -3.588 226 HG22 VAL 29 HG22 VAL 29 -3.100 -10.123 -3.270 227 HG23 VAL 29 HG23 VAL 29 -2.144 -8.708 -2.818 228 H ASP 30 H ASP 30 -4.896 -11.601 -0.012 229 HA ASP 30 HA ASP 30 -3.640 -14.090 -0.173 230 HB2 ASP 30 HB2 ASP 30 -5.732 -13.807 1.024 231 HB3 ASP 30 HB3 ASP 30 -6.561 -13.288 -0.438 232 H ARG 31 H ARG 31 -5.211 -12.215 -2.742 233 HA ARG 31 HA ARG 31 -5.153 -14.466 -4.635 234 HB2 ARG 31 HB2 ARG 31 -7.222 -13.096 -4.415 235 HB3 ARG 31 HB3 ARG 31 -6.337 -11.669 -4.930 236 HG2 ARG 31 HG2 ARG 31 -5.959 -12.673 -7.137 237 HG3 ARG 31 HG3 ARG 31 -6.767 -14.153 -6.619 238 HD2 ARG 31 HD2 ARG 31 -8.883 -12.876 -6.329 239 HD3 ARG 31 HD3 ARG 31 -8.061 -11.416 -6.892 240 HE ARG 31 HE ARG 31 -8.135 -12.205 -9.059 241 HH11 ARG 31 HH11 ARG 31 -9.199 -14.761 -6.950 242 HH12 ARG 31 HH12 ARG 31 -9.709 -15.756 -8.265 243 HH21 ARG 31 HH21 ARG 31 -8.802 -13.519 -10.694 244 HH22 ARG 31 HH22 ARG 31 -9.480 -15.067 -10.345 245 H GLU 32 H GLU 32 -3.599 -14.659 -6.188 246 HA GLU 32 HA GLU 32 -1.456 -12.773 -6.480 247 HB2 GLU 32 HB2 GLU 32 -2.182 -15.259 -8.082 248 HB3 GLU 32 HB3 GLU 32 -0.768 -14.277 -8.440 249 HG2 GLU 32 HG2 GLU 32 -0.136 -16.239 -7.159 250 HG3 GLU 32 HG3 GLU 32 0.174 -14.773 -6.238 251 H ASP 33 H ASP 33 -4.323 -13.551 -8.424 252 HA ASP 33 HA ASP 33 -3.749 -11.536 -10.467 253 HB2 ASP 33 HB2 ASP 33 -6.223 -13.281 -10.066 254 HB3 ASP 33 HB3 ASP 33 -5.855 -12.328 -11.502 255 H ALA 34 H ALA 34 -4.032 -10.539 -7.777 256 HA ALA 34 HA ALA 34 -6.630 -9.566 -7.156 257 HB1 ALA 34 HB1 ALA 34 -5.481 -8.351 -5.355 258 HB2 ALA 34 HB2 ALA 34 -3.923 -8.732 -6.092 259 HB3 ALA 34 HB3 ALA 34 -4.937 -10.027 -5.457 260 HA PRO 35 HA PRO 35 -6.229 -5.536 -9.379 261 HB2 PRO 35 HB2 PRO 35 -8.884 -4.929 -9.402 262 HB3 PRO 35 HB3 PRO 35 -8.171 -6.027 -10.594 263 HG2 PRO 35 HG2 PRO 35 -9.740 -6.674 -8.110 264 HG3 PRO 35 HG3 PRO 35 -9.831 -7.421 -9.718 265 HD2 PRO 35 HD2 PRO 35 -8.439 -8.508 -7.578 266 HD3 PRO 35 HD3 PRO 35 -8.056 -8.846 -9.280 267 H VAL 36 H VAL 36 -5.913 -3.633 -8.255 268 HA VAL 36 HA VAL 36 -7.197 -3.205 -5.616 269 HB VAL 36 HB VAL 36 -5.049 -2.289 -4.691 270 HG11 VAL 36 HG11 VAL 36 -4.869 -5.217 -5.493 271 HG12 VAL 36 HG12 VAL 36 -5.714 -4.570 -4.085 272 HG13 VAL 36 HG13 VAL 36 -3.958 -4.445 -4.190 273 HG21 VAL 36 HG21 VAL 36 -2.886 -2.789 -5.796 274 HG22 VAL 36 HG22 VAL 36 -3.895 -1.757 -6.809 275 HG23 VAL 36 HG23 VAL 36 -3.744 -3.476 -7.179 276 H ARG 37 H ARG 37 -6.999 -0.995 -4.843 277 HA ARG 37 HA ARG 37 -6.614 1.079 -6.887 278 HB2 ARG 37 HB2 ARG 37 -9.082 0.300 -6.766 279 HB3 ARG 37 HB3 ARG 37 -9.131 1.024 -5.165 280 HG2 ARG 37 HG2 ARG 37 -8.579 3.221 -6.139 281 HG3 ARG 37 HG3 ARG 37 -8.491 2.487 -7.743 282 HD2 ARG 37 HD2 ARG 37 -10.959 2.714 -5.986 283 HD3 ARG 37 HD3 ARG 37 -10.645 3.609 -7.476 284 HE ARG 37 HE ARG 37 -11.358 0.761 -7.238 285 HH11 ARG 37 HH11 ARG 37 -10.687 3.435 -9.338 286 HH12 ARG 37 HH12 ARG 37 -11.327 2.625 -10.724 287 HH21 ARG 37 HH21 ARG 37 -12.166 -0.236 -9.030 288 HH22 ARG 37 HH22 ARG 37 -12.159 0.584 -10.552 289 H TRP 38 H TRP 38 -5.027 2.213 -5.919 290 HA TRP 38 HA TRP 38 -4.851 2.490 -3.015 291 HB2 TRP 38 HB2 TRP 38 -3.058 3.363 -5.325 292 HB3 TRP 38 HB3 TRP 38 -2.741 3.849 -3.662 293 HD1 TRP 38 HD1 TRP 38 -2.558 0.775 -5.963 294 HE1 TRP 38 HE1 TRP 38 -1.185 -1.041 -4.763 295 HE3 TRP 38 HE3 TRP 38 -2.163 2.964 -1.362 296 HZ2 TRP 38 HZ2 TRP 38 -0.087 -1.489 -2.197 297 HZ3 TRP 38 HZ3 TRP 38 -0.941 1.780 0.416 298 HH2 TRP 38 HH2 TRP 38 0.077 -0.400 0.007 299 H TYR 39 H TYR 39 -5.371 4.316 -1.906 300 HA TYR 39 HA TYR 39 -6.178 6.770 -3.373 301 HB2 TYR 39 HB2 TYR 39 -7.263 5.542 -0.812 302 HB3 TYR 39 HB3 TYR 39 -7.540 7.232 -1.215 303 HD1 TYR 39 HD1 TYR 39 -8.191 3.724 -2.414 304 HD2 TYR 39 HD2 TYR 39 -9.268 7.854 -2.750 305 HE1 TYR 39 HE1 TYR 39 -10.154 3.115 -3.750 306 HE2 TYR 39 HE2 TYR 39 -11.227 7.230 -4.091 307 HH TYR 39 HH TYR 39 -12.376 4.070 -4.301 308 H LYS 40 H LYS 40 -5.986 8.779 -1.794 309 HA LYS 40 HA LYS 40 -3.398 8.769 -0.404 310 HB2 LYS 40 HB2 LYS 40 -2.988 8.760 -2.916 311 HB3 LYS 40 HB3 LYS 40 -3.763 10.329 -3.003 312 HG2 LYS 40 HG2 LYS 40 -1.373 9.934 -1.208 313 HG3 LYS 40 HG3 LYS 40 -1.136 10.100 -2.944 314 HD2 LYS 40 HD2 LYS 40 -2.424 12.297 -2.786 315 HD3 LYS 40 HD3 LYS 40 -2.332 12.131 -1.027 316 HE2 LYS 40 HE2 LYS 40 0.057 12.280 -1.048 317 HE3 LYS 40 HE3 LYS 40 0.120 12.119 -2.810 318 HZ1 LYS 40 HZ1 LYS 40 0.452 14.389 -2.155 319 HZ2 LYS 40 HZ2 LYS 40 -1.007 14.410 -1.299 320 HZ3 LYS 40 HZ3 LYS 40 -1.019 14.259 -2.982 321 H ASP 41 H ASP 41 -5.818 10.911 -1.947 322 HA ASP 41 HA ASP 41 -5.888 12.683 0.421 323 HB2 ASP 41 HB2 ASP 41 -4.213 13.520 -1.338 324 HB3 ASP 41 HB3 ASP 41 -5.574 13.726 -2.441 325 H GLY 42 H GLY 42 -7.778 10.741 -0.366 326 HA2 GLY 42 HA2 GLY 42 -10.113 10.577 -0.542 327 HA3 GLY 42 HA3 GLY 42 -10.187 12.242 -1.105 328 H GLN 43 H GLN 43 -8.130 11.865 -3.113 329 HA GLN 43 HA GLN 43 -9.575 10.585 -5.297 330 HB2 GLN 43 HB2 GLN 43 -6.848 11.966 -5.297 331 HB3 GLN 43 HB3 GLN 43 -7.802 11.540 -6.716 332 HG2 GLN 43 HG2 GLN 43 -9.521 13.191 -6.043 333 HG3 GLN 43 HG3 GLN 43 -8.556 13.613 -4.627 334 HE21 GLN 43 HE21 GLN 43 -8.269 15.765 -5.261 335 HE22 GLN 43 HE22 GLN 43 -7.300 16.233 -6.606 336 H GLU 44 H GLU 44 -8.641 8.844 -6.570 337 HA GLU 44 HA GLU 44 -6.889 7.035 -5.125 338 HB2 GLU 44 HB2 GLU 44 -7.261 5.433 -6.879 339 HB3 GLU 44 HB3 GLU 44 -8.809 6.179 -6.504 340 HG2 GLU 44 HG2 GLU 44 -8.795 7.457 -8.526 341 HG3 GLU 44 HG3 GLU 44 -7.104 7.081 -8.844 342 H VAL 45 H VAL 45 -5.008 6.004 -6.440 343 HA VAL 45 HA VAL 45 -3.257 8.205 -7.274 344 HB VAL 45 HB VAL 45 -2.517 5.353 -6.466 345 HG11 VAL 45 HG11 VAL 45 -0.718 7.761 -6.990 346 HG12 VAL 45 HG12 VAL 45 -0.842 6.314 -7.992 347 HG13 VAL 45 HG13 VAL 45 -0.183 6.199 -6.361 348 HG21 VAL 45 HG21 VAL 45 -2.304 7.944 -4.867 349 HG22 VAL 45 HG22 VAL 45 -1.720 6.361 -4.351 350 HG23 VAL 45 HG23 VAL 45 -3.447 6.630 -4.570 351 H GLU 46 H GLU 46 -3.417 8.549 -9.371 352 HA GLU 46 HA GLU 46 -3.094 6.340 -11.342 353 HB2 GLU 46 HB2 GLU 46 -4.168 9.177 -11.733 354 HB3 GLU 46 HB3 GLU 46 -4.136 7.900 -12.948 355 HG2 GLU 46 HG2 GLU 46 -5.810 6.625 -11.775 356 HG3 GLU 46 HG3 GLU 46 -5.707 7.670 -10.360 357 H GLU 47 H GLU 47 -0.930 7.183 -9.852 358 HA GLU 47 HA GLU 47 1.062 8.182 -9.652 359 HB2 GLU 47 HB2 GLU 47 0.897 8.163 -12.679 360 HB3 GLU 47 HB3 GLU 47 2.330 8.713 -11.826 361 HG2 GLU 47 HG2 GLU 47 2.633 6.426 -12.550 362 HG3 GLU 47 HG3 GLU 47 2.591 6.499 -10.797 363 H SER 48 H SER 48 2.447 10.225 -10.234 364 HA SER 48 HA SER 48 0.908 12.627 -10.839 365 HB2 SER 48 HB2 SER 48 0.272 12.318 -8.481 366 HB3 SER 48 HB3 SER 48 1.962 12.167 -8.008 367 HG SER 48 HG SER 48 0.627 14.470 -8.999 368 H ASP 49 H ASP 49 3.817 11.995 -8.891 369 HA ASP 49 HA ASP 49 5.733 12.724 -10.850 370 HB2 ASP 49 HB2 ASP 49 4.720 14.995 -10.353 371 HB3 ASP 49 HB3 ASP 49 5.219 14.814 -8.673 372 H PHE 50 H PHE 50 5.318 13.218 -7.322 373 HA PHE 50 HA PHE 50 7.545 11.389 -6.720 374 HB2 PHE 50 HB2 PHE 50 5.943 13.246 -4.911 375 HB3 PHE 50 HB3 PHE 50 7.260 12.212 -4.361 376 HD1 PHE 50 HD1 PHE 50 9.557 12.505 -5.601 377 HD2 PHE 50 HD2 PHE 50 6.465 15.464 -5.585 378 HE1 PHE 50 HE1 PHE 50 11.204 14.238 -6.176 379 HE2 PHE 50 HE2 PHE 50 8.128 17.190 -6.157 380 HZ PHE 50 HZ PHE 50 10.494 16.578 -6.453 381 H VAL 51 H VAL 51 4.242 11.080 -7.196 382 HA VAL 51 HA VAL 51 4.013 8.835 -5.258 383 HB VAL 51 HB VAL 51 1.649 10.154 -6.689 384 HG11 VAL 51 HG11 VAL 51 0.315 9.147 -4.868 385 HG12 VAL 51 HG12 VAL 51 1.782 8.467 -4.156 386 HG13 VAL 51 HG13 VAL 51 1.236 7.921 -5.742 387 HG21 VAL 51 HG21 VAL 51 2.764 11.936 -5.402 388 HG22 VAL 51 HG22 VAL 51 2.740 10.937 -3.948 389 HG23 VAL 51 HG23 VAL 51 1.225 11.509 -4.652 390 H VAL 52 H VAL 52 4.617 6.993 -6.287 391 HA VAL 52 HA VAL 52 3.468 6.331 -8.951 392 HB VAL 52 HB VAL 52 5.570 5.155 -9.578 393 HG11 VAL 52 HG11 VAL 52 6.029 8.095 -8.951 394 HG12 VAL 52 HG12 VAL 52 5.230 7.451 -10.387 395 HG13 VAL 52 HG13 VAL 52 6.944 7.131 -10.115 396 HG21 VAL 52 HG21 VAL 52 7.671 5.506 -8.316 397 HG22 VAL 52 HG22 VAL 52 6.471 4.671 -7.330 398 HG23 VAL 52 HG23 VAL 52 6.784 6.387 -7.067 399 H LEU 53 H LEU 53 3.281 4.008 -9.381 400 HA LEU 53 HA LEU 53 2.932 2.368 -6.926 401 HB2 LEU 53 HB2 LEU 53 1.330 2.255 -9.512 402 HB3 LEU 53 HB3 LEU 53 1.079 1.217 -8.113 403 HG LEU 53 HG LEU 53 0.657 4.239 -8.188 404 HD11 LEU 53 HD11 LEU 53 -1.065 3.076 -9.462 405 HD12 LEU 53 HD12 LEU 53 -1.738 3.743 -7.975 406 HD13 LEU 53 HD13 LEU 53 -1.407 2.011 -8.093 407 HD21 LEU 53 HD21 LEU 53 1.393 3.515 -5.961 408 HD22 LEU 53 HD22 LEU 53 0.143 2.269 -5.915 409 HD23 LEU 53 HD23 LEU 53 -0.306 3.977 -5.923 410 H GLU 54 H GLU 54 4.061 0.522 -6.811 411 HA GLU 54 HA GLU 54 5.015 -0.857 -9.265 412 HB2 GLU 54 HB2 GLU 54 6.175 -0.786 -6.449 413 HB3 GLU 54 HB3 GLU 54 6.690 -1.959 -7.657 414 HG2 GLU 54 HG2 GLU 54 6.913 1.055 -7.957 415 HG3 GLU 54 HG3 GLU 54 8.220 -0.009 -7.435 416 H ASN 55 H ASN 55 3.957 -2.732 -9.689 417 HA ASN 55 HA ASN 55 2.545 -4.174 -7.513 418 HB2 ASN 55 HB2 ASN 55 1.320 -3.224 -10.141 419 HB3 ASN 55 HB3 ASN 55 0.537 -4.367 -9.054 420 HD21 ASN 55 HD21 ASN 55 -0.144 -1.580 -9.944 421 HD22 ASN 55 HD22 ASN 55 -0.445 -0.725 -8.476 422 H GLU 56 H GLU 56 3.334 -6.201 -7.520 423 HA GLU 56 HA GLU 56 3.465 -7.717 -10.046 424 HB2 GLU 56 HB2 GLU 56 5.763 -6.972 -9.648 425 HB3 GLU 56 HB3 GLU 56 5.720 -7.587 -8.002 426 HG2 GLU 56 HG2 GLU 56 7.004 -9.057 -9.507 427 HG3 GLU 56 HG3 GLU 56 5.616 -9.885 -8.805 428 H GLY 57 H GLY 57 2.247 -9.464 -9.857 429 HA2 GLY 57 HA2 GLY 57 1.141 -11.300 -9.067 430 HA3 GLY 57 HA3 GLY 57 2.432 -11.449 -7.890 431 HA PRO 58 HA PRO 58 -1.075 -10.341 -5.122 432 HB2 PRO 58 HB2 PRO 58 -0.373 -11.824 -2.998 433 HB3 PRO 58 HB3 PRO 58 -1.029 -12.587 -4.453 434 HG2 PRO 58 HG2 PRO 58 1.837 -12.370 -3.549 435 HG3 PRO 58 HG3 PRO 58 0.985 -13.770 -4.238 436 HD2 PRO 58 HD2 PRO 58 2.617 -12.032 -5.691 437 HD3 PRO 58 HD3 PRO 58 1.361 -13.065 -6.405 438 H HIS 59 H HIS 59 2.087 -9.356 -5.264 439 HA HIS 59 HA HIS 59 2.058 -7.807 -2.739 440 HB2 HIS 59 HB2 HIS 59 4.310 -8.407 -4.703 441 HB3 HIS 59 HB3 HIS 59 4.476 -7.315 -3.330 442 HD1 HIS 59 HD1 HIS 59 5.429 -8.398 -1.320 443 HD2 HIS 59 HD2 HIS 59 3.434 -11.146 -3.710 444 HE1 HIS 59 HE1 HIS 59 5.775 -10.619 -0.222 445 HE2 HIS 59 HE2 HIS 59 4.473 -12.247 -1.620 446 H ARG 60 H ARG 60 0.997 -5.986 -2.966 447 HA ARG 60 HA ARG 60 1.360 -4.220 -5.327 448 HB2 ARG 60 HB2 ARG 60 -0.955 -4.290 -3.330 449 HB3 ARG 60 HB3 ARG 60 -0.855 -3.277 -4.768 450 HG2 ARG 60 HG2 ARG 60 -1.069 -6.313 -4.740 451 HG3 ARG 60 HG3 ARG 60 -2.376 -5.184 -5.099 452 HD2 ARG 60 HD2 ARG 60 -1.050 -4.349 -7.054 453 HD3 ARG 60 HD3 ARG 60 0.157 -5.594 -6.720 454 HE ARG 60 HE ARG 60 -2.613 -6.434 -7.233 455 HH11 ARG 60 HH11 ARG 60 0.671 -6.326 -8.311 456 HH12 ARG 60 HH12 ARG 60 0.369 -7.340 -9.671 457 HH21 ARG 60 HH21 ARG 60 -2.964 -7.750 -9.000 458 HH22 ARG 60 HH22 ARG 60 -1.649 -8.137 -10.052 459 H ARG 61 H ARG 61 2.498 -2.337 -4.878 460 HA ARG 61 HA ARG 61 2.532 -1.293 -2.114 461 HB2 ARG 61 HB2 ARG 61 5.014 -1.105 -2.108 462 HB3 ARG 61 HB3 ARG 61 4.466 -2.777 -2.180 463 HG2 ARG 61 HG2 ARG 61 4.921 -2.827 -4.606 464 HG3 ARG 61 HG3 ARG 61 5.476 -1.154 -4.536 465 HD2 ARG 61 HD2 ARG 61 7.292 -1.893 -2.956 466 HD3 ARG 61 HD3 ARG 61 6.776 -3.566 -3.221 467 HE ARG 61 HE ARG 61 7.602 -1.850 -5.477 468 HH11 ARG 61 HH11 ARG 61 8.221 -4.697 -3.607 469 HH12 ARG 61 HH12 ARG 61 9.268 -5.363 -4.809 470 HH21 ARG 61 HH21 ARG 61 8.916 -2.729 -6.973 471 HH22 ARG 61 HH22 ARG 61 9.673 -4.254 -6.681 472 H LEU 62 H LEU 62 2.411 0.836 -1.983 473 HA LEU 62 HA LEU 62 2.701 2.571 -4.325 474 HB2 LEU 62 HB2 LEU 62 0.773 2.708 -2.675 475 HB3 LEU 62 HB3 LEU 62 1.895 3.311 -1.472 476 HG LEU 62 HG LEU 62 1.477 4.777 -4.114 477 HD11 LEU 62 HD11 LEU 62 -0.166 5.181 -1.593 478 HD12 LEU 62 HD12 LEU 62 -0.743 4.505 -3.119 479 HD13 LEU 62 HD13 LEU 62 -0.223 6.186 -3.048 480 HD21 LEU 62 HD21 LEU 62 2.385 5.790 -1.389 481 HD22 LEU 62 HD22 LEU 62 2.173 6.775 -2.840 482 HD23 LEU 62 HD23 LEU 62 3.415 5.528 -2.800 483 H VAL 63 H VAL 63 4.666 3.369 -4.781 484 HA VAL 63 HA VAL 63 6.717 3.661 -2.679 485 HB VAL 63 HB VAL 63 7.027 3.779 -5.720 486 HG11 VAL 63 HG11 VAL 63 8.797 5.065 -4.604 487 HG12 VAL 63 HG12 VAL 63 9.467 3.589 -5.295 488 HG13 VAL 63 HG13 VAL 63 9.176 3.694 -3.557 489 HG21 VAL 63 HG21 VAL 63 7.665 1.494 -3.801 490 HG22 VAL 63 HG22 VAL 63 8.040 1.520 -5.527 491 HG23 VAL 63 HG23 VAL 63 6.361 1.528 -4.993 492 H LEU 64 H LEU 64 7.300 5.594 -1.952 493 HA LEU 64 HA LEU 64 6.628 8.083 -3.415 494 HB2 LEU 64 HB2 LEU 64 5.511 7.328 -0.982 495 HB3 LEU 64 HB3 LEU 64 6.888 8.248 -0.429 496 HG LEU 64 HG LEU 64 5.038 9.748 -0.449 497 HD11 LEU 64 HD11 LEU 64 7.089 10.753 -1.329 498 HD12 LEU 64 HD12 LEU 64 5.652 11.500 -2.021 499 HD13 LEU 64 HD13 LEU 64 6.598 10.352 -2.976 500 HD21 LEU 64 HD21 LEU 64 3.551 10.118 -2.359 501 HD22 LEU 64 HD22 LEU 64 3.509 8.439 -1.827 502 HD23 LEU 64 HD23 LEU 64 4.407 8.878 -3.282 503 HA PRO 65 HA PRO 65 11.307 7.787 -3.389 504 HB2 PRO 65 HB2 PRO 65 11.441 10.070 -5.096 505 HB3 PRO 65 HB3 PRO 65 11.501 8.377 -5.593 506 HG2 PRO 65 HG2 PRO 65 9.136 10.239 -5.481 507 HG3 PRO 65 HG3 PRO 65 9.560 9.036 -6.717 508 HD2 PRO 65 HD2 PRO 65 7.654 8.483 -4.970 509 HD3 PRO 65 HD3 PRO 65 8.839 7.225 -5.365 510 H ALA 66 H ALA 66 9.557 10.933 -3.169 511 HA ALA 66 HA ALA 66 11.140 11.673 -0.802 512 HB1 ALA 66 HB1 ALA 66 12.406 12.579 -2.718 513 HB2 ALA 66 HB2 ALA 66 11.735 13.875 -1.726 514 HB3 ALA 66 HB3 ALA 66 10.973 13.452 -3.263 515 H THR 67 H THR 67 9.469 11.790 0.587 516 HA THR 67 HA THR 67 6.802 12.547 -0.203 517 HB THR 67 HB THR 67 7.770 11.878 2.614 518 HG1 THR 67 HG1 THR 67 8.157 9.971 1.777 519 HG21 THR 67 HG21 THR 67 5.033 11.553 1.313 520 HG22 THR 67 HG22 THR 67 5.458 12.803 2.482 521 HG23 THR 67 HG23 THR 67 5.456 11.109 2.968 522 H GLN 68 H GLN 68 6.338 14.631 -0.453 523 HA GLN 68 HA GLN 68 7.469 16.794 1.122 524 HB2 GLN 68 HB2 GLN 68 5.263 16.799 -0.994 525 HB3 GLN 68 HB3 GLN 68 6.055 18.234 -0.340 526 HG2 GLN 68 HG2 GLN 68 8.202 17.482 -1.299 527 HG3 GLN 68 HG3 GLN 68 7.412 16.046 -1.945 528 HE21 GLN 68 HE21 GLN 68 8.851 18.144 -3.356 529 HE22 GLN 68 HE22 GLN 68 7.753 18.778 -4.523 530 HA PRO 69 HA PRO 69 4.569 17.105 4.503 531 HB2 PRO 69 HB2 PRO 69 4.026 19.956 3.665 532 HB3 PRO 69 HB3 PRO 69 4.451 19.313 5.259 533 HG2 PRO 69 HG2 PRO 69 6.298 20.543 3.789 534 HG3 PRO 69 HG3 PRO 69 6.722 19.073 4.695 535 HD2 PRO 69 HD2 PRO 69 6.193 19.405 1.748 536 HD3 PRO 69 HD3 PRO 69 7.392 18.383 2.569 537 H SER 70 H SER 70 3.364 18.377 1.432 538 HA SER 70 HA SER 70 0.574 18.306 2.018 539 HB2 SER 70 HB2 SER 70 1.421 19.701 0.209 540 HB3 SER 70 HB3 SER 70 2.033 18.290 -0.650 541 HG SER 70 HG SER 70 -0.708 18.841 -0.085 542 H ASP 71 H ASP 71 2.802 15.855 0.708 543 HA ASP 71 HA ASP 71 0.848 14.025 -0.248 544 HB2 ASP 71 HB2 ASP 71 3.736 13.511 0.555 545 HB3 ASP 71 HB3 ASP 71 2.722 12.361 -0.314 546 H GLY 72 H GLY 72 1.846 14.693 2.934 547 HA2 GLY 72 HA2 GLY 72 1.406 12.090 4.130 548 HA3 GLY 72 HA3 GLY 72 1.742 13.590 4.973 549 H GLY 73 H GLY 73 -0.782 11.667 3.460 550 HA2 GLY 73 HA2 GLY 73 -2.803 12.879 5.280 551 HA3 GLY 73 HA3 GLY 73 -3.155 12.610 3.578 552 H GLU 74 H GLU 74 -4.874 11.211 4.042 553 HA GLU 74 HA GLU 74 -4.302 8.633 5.369 554 HB2 GLU 74 HB2 GLU 74 -6.933 9.870 4.447 555 HB3 GLU 74 HB3 GLU 74 -6.785 8.291 5.224 556 HG2 GLU 74 HG2 GLU 74 -5.899 9.374 7.261 557 HG3 GLU 74 HG3 GLU 74 -6.045 10.951 6.487 558 H PHE 75 H PHE 75 -3.440 7.205 3.988 559 HA PHE 75 HA PHE 75 -4.319 6.978 1.196 560 HB2 PHE 75 HB2 PHE 75 -2.156 5.503 2.757 561 HB3 PHE 75 HB3 PHE 75 -2.499 5.262 1.048 562 HD1 PHE 75 HD2 PHE 75 -1.656 8.080 3.424 563 HD2 PHE 75 HD1 PHE 75 -1.148 6.412 -0.479 564 HE1 PHE 75 HE2 PHE 75 -0.020 9.834 2.880 565 HE2 PHE 75 HE1 PHE 75 0.491 8.165 -1.011 566 HZ PHE 75 HZ PHE 75 1.059 9.874 0.666 567 H GLN 76 H GLN 76 -5.312 5.064 0.370 568 HA GLN 76 HA GLN 76 -6.221 3.015 2.282 569 HB2 GLN 76 HB2 GLN 76 -7.946 4.798 2.330 570 HB3 GLN 76 HB3 GLN 76 -8.150 4.658 0.589 571 HG2 GLN 76 HG2 GLN 76 -9.005 2.367 0.855 572 HG3 GLN 76 HG3 GLN 76 -8.757 2.463 2.600 573 HE21 GLN 76 HE21 GLN 76 -11.249 1.988 1.133 574 HE22 GLN 76 HE22 GLN 76 -12.332 3.243 1.610 575 H CYS 77 H CYS 77 -5.447 1.216 1.343 576 HA CYS 77 HA CYS 77 -5.526 0.798 -1.556 577 HB2 CYS 77 HB2 CYS 77 -3.530 0.042 -0.319 578 HB3 CYS 77 HB3 CYS 77 -4.523 -1.023 0.671 579 HG CYS 77 HG CYS 77 -3.853 -2.998 -0.850 580 H VAL 78 H VAL 78 -7.655 0.495 -2.173 581 HA VAL 78 HA VAL 78 -9.371 -1.462 -0.819 582 HB VAL 78 HB VAL 78 -9.998 0.237 -3.284 583 HG11 VAL 78 HG11 VAL 78 -11.439 -1.748 -3.124 584 HG12 VAL 78 HG12 VAL 78 -12.374 -0.290 -2.795 585 HG13 VAL 78 HG13 VAL 78 -11.872 -1.336 -1.463 586 HG21 VAL 78 HG21 VAL 78 -9.537 1.692 -1.352 587 HG22 VAL 78 HG22 VAL 78 -10.710 0.804 -0.376 588 HG23 VAL 78 HG23 VAL 78 -11.251 1.739 -1.772 589 H ALA 79 H ALA 79 -8.746 -3.529 -1.324 590 HA ALA 79 HA ALA 79 -7.851 -4.329 -3.965 591 HB1 ALA 79 HB1 ALA 79 -7.731 -6.592 -3.002 592 HB2 ALA 79 HB2 ALA 79 -8.543 -6.026 -1.541 593 HB3 ALA 79 HB3 ALA 79 -6.940 -5.416 -1.952 594 H GLY 80 H GLY 80 -10.704 -5.078 -1.937 595 HA2 GLY 80 HA2 GLY 80 -12.607 -4.876 -4.039 596 HA3 GLY 80 HA3 GLY 80 -12.188 -6.569 -3.797 597 H ASP 81 H ASP 81 -12.717 -7.598 -1.830 598 HA ASP 81 HA ASP 81 -15.019 -6.660 -0.423 599 HB2 ASP 81 HB2 ASP 81 -14.549 -8.688 1.090 600 HB3 ASP 81 HB3 ASP 81 -14.842 -9.023 -0.607 601 H GLU 82 H GLU 82 -11.541 -6.823 0.424 602 HA GLU 82 HA GLU 82 -12.021 -5.271 2.899 603 HB2 GLU 82 HB2 GLU 82 -9.489 -6.691 1.982 604 HB3 GLU 82 HB3 GLU 82 -9.704 -5.876 3.528 605 HG2 GLU 82 HG2 GLU 82 -11.284 -8.288 2.606 606 HG3 GLU 82 HG3 GLU 82 -9.864 -8.359 3.641 607 H CYS 83 H CYS 83 -10.819 -3.412 3.413 608 HA CYS 83 HA CYS 83 -9.107 -2.153 1.374 609 HB2 CYS 83 HB2 CYS 83 -10.189 0.066 1.757 610 HB3 CYS 83 HB3 CYS 83 -11.305 -1.097 1.049 611 HG CYS 83 HG CYS 83 -13.142 -0.531 2.741 612 H ALA 84 H ALA 84 -7.241 -1.518 2.277 613 HA ALA 84 HA ALA 84 -6.880 -1.600 5.195 614 HB1 ALA 84 HB1 ALA 84 -4.835 -1.544 2.946 615 HB2 ALA 84 HB2 ALA 84 -5.409 -2.987 3.783 616 HB3 ALA 84 HB3 ALA 84 -4.481 -1.771 4.661 617 H TYR 85 H TYR 85 -6.082 0.141 6.394 618 HA TYR 85 HA TYR 85 -6.143 2.807 5.082 619 HB2 TYR 85 HB2 TYR 85 -6.753 2.109 7.987 620 HB3 TYR 85 HB3 TYR 85 -6.902 3.701 7.246 621 HD1 TYR 85 HD2 TYR 85 -8.610 3.970 5.308 622 HD2 TYR 85 HD1 TYR 85 -8.616 0.590 7.929 623 HE1 TYR 85 HE2 TYR 85 -10.928 3.467 4.663 624 HE2 TYR 85 HE1 TYR 85 -10.933 0.090 7.270 625 HH TYR 85 HH TYR 85 -12.458 1.570 4.604 626 H PHE 86 H PHE 86 -4.405 4.088 5.211 627 HA PHE 86 HA PHE 86 -2.154 3.494 7.055 628 HB2 PHE 86 HB2 PHE 86 -1.910 4.656 4.237 629 HB3 PHE 86 HB3 PHE 86 -0.588 4.219 5.311 630 HD1 PHE 86 HD1 PHE 86 -3.169 2.933 2.997 631 HD2 PHE 86 HD2 PHE 86 0.091 1.867 5.561 632 HE1 PHE 86 HE1 PHE 86 -3.067 0.709 1.952 633 HE2 PHE 86 HE2 PHE 86 0.185 -0.353 4.504 634 HZ PHE 86 HZ PHE 86 -1.392 -0.935 2.701 635 H THR 87 H THR 87 -2.115 5.134 8.544 636 HA THR 87 HA THR 87 -2.964 7.868 7.801 637 HB THR 87 HB THR 87 -2.320 6.740 10.571 638 HG1 THR 87 HG1 THR 87 -4.940 7.384 9.853 639 HG21 THR 87 HG21 THR 87 -2.087 9.207 10.456 640 HG22 THR 87 HG22 THR 87 -3.488 8.745 11.423 641 HG23 THR 87 HG23 THR 87 -3.712 9.330 9.775 642 H VAL 88 H VAL 88 -1.266 8.924 6.837 643 HA VAL 88 HA VAL 88 1.485 8.559 7.872 644 HB VAL 88 HB VAL 88 0.582 9.715 5.193 645 HG11 VAL 88 HG11 VAL 88 2.969 9.531 4.519 646 HG12 VAL 88 HG12 VAL 88 3.394 9.032 6.159 647 HG13 VAL 88 HG13 VAL 88 2.752 10.649 5.866 648 HG21 VAL 88 HG21 VAL 88 1.754 6.965 5.817 649 HG22 VAL 88 HG22 VAL 88 1.374 7.585 4.208 650 HG23 VAL 88 HG23 VAL 88 0.079 7.303 5.368 651 H THR 89 H THR 89 2.354 10.123 9.089 652 HA THR 89 HA THR 89 1.368 12.927 8.931 653 HB THR 89 HB THR 89 2.248 11.378 11.412 654 HG1 THR 89 HG1 THR 89 -0.172 11.757 10.218 655 HG21 THR 89 HG21 THR 89 1.293 14.266 11.211 656 HG22 THR 89 HG22 THR 89 2.929 13.744 11.622 657 HG23 THR 89 HG23 THR 89 1.587 13.383 12.710 658 H ILE 90 H ILE 90 2.899 14.523 8.754 659 HA ILE 90 HA ILE 90 5.767 13.732 8.664 660 HB ILE 90 HB ILE 90 4.379 15.841 6.951 661 HG12 ILE 90 HG12 ILE 90 5.308 13.029 6.190 662 HG13 ILE 90 HG13 ILE 90 3.637 13.552 6.342 663 HG21 ILE 90 HG21 ILE 90 7.232 14.768 6.779 664 HG22 ILE 90 HG22 ILE 90 6.760 16.376 7.328 665 HG23 ILE 90 HG23 ILE 90 6.494 15.909 5.649 666 HD11 ILE 90 HD11 ILE 90 3.963 15.076 4.455 667 HD12 ILE 90 HD12 ILE 90 4.282 13.393 4.042 668 HD13 ILE 90 HD13 ILE 90 5.627 14.504 4.296 Start of MODEL 17 1 H HIS 1 H1 HIS 1 -13.827 -19.845 -8.580 2 HA HIS 1 HA HIS 1 -11.873 -17.613 -8.737 3 HB2 HIS 1 HB2 HIS 1 -14.846 -17.600 -9.444 4 HB3 HIS 1 HB3 HIS 1 -13.715 -16.261 -9.627 5 HD1 HIS 1 HD1 HIS 1 -15.345 -18.687 -11.618 6 HD2 HIS 1 HD2 HIS 1 -11.461 -17.221 -11.524 7 HE1 HIS 1 HE1 HIS 1 -14.376 -19.198 -13.869 8 HE2 HIS 1 HE2 HIS 1 -11.982 -18.475 -13.714 9 H MET 2 H MET 2 -11.452 -17.281 -6.581 10 HA MET 2 HA MET 2 -13.584 -17.575 -4.559 11 HB2 MET 2 HB2 MET 2 -10.552 -17.385 -4.288 12 HB3 MET 2 HB3 MET 2 -11.662 -17.630 -2.944 13 HG2 MET 2 HG2 MET 2 -12.366 -19.792 -3.967 14 HG3 MET 2 HG3 MET 2 -11.186 -19.537 -5.252 15 HE1 MET 2 HE1 MET 2 -10.764 -18.708 -1.382 16 HE2 MET 2 HE2 MET 2 -10.016 -20.201 -0.819 17 HE3 MET 2 HE3 MET 2 -11.686 -20.212 -1.391 18 HA PRO 3 HA PRO 3 -13.803 -13.129 -3.368 19 HB2 PRO 3 HB2 PRO 3 -13.316 -14.194 -0.573 20 HB3 PRO 3 HB3 PRO 3 -14.527 -13.030 -1.137 21 HG2 PRO 3 HG2 PRO 3 -15.258 -15.535 -0.641 22 HG3 PRO 3 HG3 PRO 3 -15.885 -14.704 -2.083 23 HD2 PRO 3 HD2 PRO 3 -13.709 -16.782 -1.888 24 HD3 PRO 3 HD3 PRO 3 -14.978 -16.590 -3.118 25 H VAL 4 H VAL 4 -12.384 -11.426 -2.876 26 HA VAL 4 HA VAL 4 -9.525 -12.136 -2.653 27 HB VAL 4 HB VAL 4 -10.042 -10.808 -4.603 28 HG11 VAL 4 HG11 VAL 4 -11.217 -8.681 -2.778 29 HG12 VAL 4 HG12 VAL 4 -12.121 -9.718 -3.881 30 HG13 VAL 4 HG13 VAL 4 -10.983 -8.532 -4.523 31 HG21 VAL 4 HG21 VAL 4 -8.477 -8.914 -4.300 32 HG22 VAL 4 HG22 VAL 4 -7.869 -10.378 -3.525 33 HG23 VAL 4 HG23 VAL 4 -8.588 -9.097 -2.547 34 H HIS 5 H HIS 5 -8.491 -11.884 -0.785 35 HA HIS 5 HA HIS 5 -9.445 -9.938 1.233 36 HB2 HIS 5 HB2 HIS 5 -8.748 -12.862 1.596 37 HB3 HIS 5 HB3 HIS 5 -8.561 -11.742 2.942 38 HD1 HIS 5 HD1 HIS 5 -10.521 -11.731 4.419 39 HD2 HIS 5 HD2 HIS 5 -11.626 -12.504 0.487 40 HE1 HIS 5 HE1 HIS 5 -13.005 -12.007 4.461 41 HE2 HIS 5 HE2 HIS 5 -13.662 -12.229 2.051 42 H ILE 6 H ILE 6 -7.971 -8.617 2.112 43 HA ILE 6 HA ILE 6 -5.168 -8.757 1.396 44 HB ILE 6 HB ILE 6 -6.611 -6.868 3.315 45 HG12 ILE 6 HG12 ILE 6 -5.732 -6.461 0.412 46 HG13 ILE 6 HG13 ILE 6 -7.393 -6.669 0.958 47 HG21 ILE 6 HG21 ILE 6 -4.596 -5.423 3.153 48 HG22 ILE 6 HG22 ILE 6 -3.788 -6.649 2.174 49 HG23 ILE 6 HG23 ILE 6 -4.200 -6.992 3.856 50 HD11 ILE 6 HD11 ILE 6 -5.576 -4.346 1.589 51 HD12 ILE 6 HD12 ILE 6 -7.224 -4.549 2.194 52 HD13 ILE 6 HD13 ILE 6 -6.934 -4.365 0.466 53 H VAL 7 H VAL 7 -3.775 -10.016 2.422 54 HA VAL 7 HA VAL 7 -4.319 -11.209 5.012 55 HB VAL 7 HB VAL 7 -2.106 -12.395 4.637 56 HG11 VAL 7 HG11 VAL 7 -4.142 -12.643 2.383 57 HG12 VAL 7 HG12 VAL 7 -4.233 -13.436 3.957 58 HG13 VAL 7 HG13 VAL 7 -2.946 -13.865 2.831 59 HG21 VAL 7 HG21 VAL 7 -2.154 -10.993 1.921 60 HG22 VAL 7 HG22 VAL 7 -1.029 -12.267 2.404 61 HG23 VAL 7 HG23 VAL 7 -0.981 -10.699 3.211 62 H ASP 8 H ASP 8 -2.088 -8.778 3.696 63 HA ASP 8 HA ASP 8 -1.552 -7.644 6.300 64 HB2 ASP 8 HB2 ASP 8 0.074 -9.525 6.240 65 HB3 ASP 8 HB3 ASP 8 0.723 -8.924 4.714 66 HA PRO 9 HA PRO 9 -1.153 -5.775 7.127 67 HB2 PRO 9 HB2 PRO 9 -2.095 -3.018 6.810 68 HB3 PRO 9 HB3 PRO 9 -0.603 -3.588 7.561 69 HG2 PRO 9 HG2 PRO 9 -0.649 -2.179 5.208 70 HG3 PRO 9 HG3 PRO 9 0.628 -3.342 5.622 71 HD2 PRO 9 HD2 PRO 9 -1.810 -3.749 3.877 72 HD3 PRO 9 HD3 PRO 9 -0.116 -4.213 3.576 73 H ARG 10 H ARG 10 -2.958 -6.366 8.156 74 HA ARG 10 HA ARG 10 -5.592 -6.212 6.858 75 HB2 ARG 10 HB2 ARG 10 -4.419 -8.345 7.812 76 HB3 ARG 10 HB3 ARG 10 -4.852 -7.716 9.396 77 HG2 ARG 10 HG2 ARG 10 -7.246 -7.810 8.760 78 HG3 ARG 10 HG3 ARG 10 -6.785 -8.441 7.174 79 HD2 ARG 10 HD2 ARG 10 -5.716 -10.400 8.309 80 HD3 ARG 10 HD3 ARG 10 -6.295 -9.778 9.859 81 HE ARG 10 HE ARG 10 -8.475 -10.074 8.087 82 HH11 ARG 10 HH11 ARG 10 -6.287 -12.038 9.929 83 HH12 ARG 10 HH12 ARG 10 -7.410 -13.348 10.046 84 HH21 ARG 10 HH21 ARG 10 -9.868 -11.780 8.252 85 HH22 ARG 10 HH22 ARG 10 -9.392 -13.201 9.114 86 H GLU 11 H GLU 11 -4.010 -4.063 8.605 87 HA GLU 11 HA GLU 11 -6.242 -3.152 10.290 88 HB2 GLU 11 HB2 GLU 11 -4.757 -2.906 12.263 89 HB3 GLU 11 HB3 GLU 11 -4.913 -4.589 11.773 90 HG2 GLU 11 HG2 GLU 11 -2.702 -4.533 10.721 91 HG3 GLU 11 HG3 GLU 11 -2.545 -2.812 11.076 92 H HIS 12 H HIS 12 -5.020 -1.100 11.655 93 HA HIS 12 HA HIS 12 -4.576 0.918 9.585 94 HB2 HIS 12 HB2 HIS 12 -4.904 1.191 12.609 95 HB3 HIS 12 HB3 HIS 12 -4.835 2.534 11.474 96 HD1 HIS 12 HD1 HIS 12 -7.227 2.703 13.041 97 HD2 HIS 12 HD2 HIS 12 -7.118 0.154 9.766 98 HE1 HIS 12 HE1 HIS 12 -9.619 2.326 12.409 99 HE2 HIS 12 HE2 HIS 12 -9.533 0.687 10.509 100 H VAL 13 H VAL 13 -2.505 1.168 8.902 101 HA VAL 13 HA VAL 13 -0.215 0.949 10.754 102 HB VAL 13 HB VAL 13 -0.280 1.105 7.705 103 HG11 VAL 13 HG11 VAL 13 2.136 0.526 7.774 104 HG12 VAL 13 HG12 VAL 13 2.116 0.652 9.534 105 HG13 VAL 13 HG13 VAL 13 1.815 2.081 8.545 106 HG21 VAL 13 HG21 VAL 13 -1.176 -1.024 8.554 107 HG22 VAL 13 HG22 VAL 13 0.275 -1.270 9.530 108 HG23 VAL 13 HG23 VAL 13 0.382 -1.280 7.768 109 H PHE 14 H PHE 14 0.314 2.813 11.731 110 HA PHE 14 HA PHE 14 -0.164 5.433 10.496 111 HB2 PHE 14 HB2 PHE 14 0.902 4.772 13.282 112 HB3 PHE 14 HB3 PHE 14 0.363 6.351 12.715 113 HD1 PHE 14 HD2 PHE 14 -2.058 6.814 12.394 114 HD2 PHE 14 HD1 PHE 14 -0.723 3.045 13.913 115 HE1 PHE 14 HE2 PHE 14 -4.342 6.301 13.145 116 HE2 PHE 14 HE1 PHE 14 -3.017 2.537 14.652 117 HZ PHE 14 HZ PHE 14 -4.826 4.167 14.269 118 H VAL 15 H VAL 15 1.401 6.308 9.270 119 HA VAL 15 HA VAL 15 4.271 5.797 9.827 120 HB VAL 15 HB VAL 15 2.948 6.620 7.194 121 HG11 VAL 15 HG11 VAL 15 5.163 6.213 6.142 122 HG12 VAL 15 HG12 VAL 15 5.862 5.919 7.736 123 HG13 VAL 15 HG13 VAL 15 5.231 7.516 7.332 124 HG21 VAL 15 HG21 VAL 15 4.097 3.920 8.000 125 HG22 VAL 15 HG22 VAL 15 3.497 4.336 6.393 126 HG23 VAL 15 HG23 VAL 15 2.390 4.297 7.767 127 H HIS 16 H HIS 16 5.034 7.556 11.029 128 HA HIS 16 HA HIS 16 4.284 10.290 10.408 129 HB2 HIS 16 HB2 HIS 16 5.004 9.814 12.699 130 HB3 HIS 16 HB3 HIS 16 6.549 9.189 12.131 131 HD1 HIS 16 HD1 HIS 16 8.420 10.828 12.146 132 HD2 HIS 16 HD2 HIS 16 4.730 12.739 12.035 133 HE1 HIS 16 HE1 HIS 16 8.933 13.268 12.238 134 HE2 HIS 16 HE2 HIS 16 6.692 14.385 12.410 135 H ALA 17 H ALA 17 4.873 11.081 8.468 136 HA ALA 17 HA ALA 17 7.435 10.334 7.206 137 HB1 ALA 17 HB1 ALA 17 5.028 11.803 6.093 138 HB2 ALA 17 HB2 ALA 17 5.417 10.098 5.855 139 HB3 ALA 17 HB3 ALA 17 6.466 11.344 5.176 140 H ILE 18 H ILE 18 8.729 11.990 6.204 141 HA ILE 18 HA ILE 18 8.601 14.736 7.303 142 HB ILE 18 HB ILE 18 11.011 12.855 7.285 143 HG12 ILE 18 HG12 ILE 18 9.685 14.416 9.555 144 HG13 ILE 18 HG13 ILE 18 9.551 12.682 9.285 145 HG21 ILE 18 HG21 ILE 18 11.805 15.012 6.421 146 HG22 ILE 18 HG22 ILE 18 12.447 14.721 8.035 147 HG23 ILE 18 HG23 ILE 18 11.107 15.849 7.809 148 HD11 ILE 18 HD11 ILE 18 11.949 12.445 9.758 149 HD12 ILE 18 HD12 ILE 18 11.057 13.165 11.097 150 HD13 ILE 18 HD13 ILE 18 12.050 14.184 10.057 151 H THR 19 H THR 19 9.639 16.337 5.894 152 HA THR 19 HA THR 19 9.273 15.802 3.073 153 HB THR 19 HB THR 19 9.758 18.232 2.762 154 HG1 THR 19 HG1 THR 19 10.309 19.507 4.503 155 HG21 THR 19 HG21 THR 19 7.855 19.136 4.047 156 HG22 THR 19 HG22 THR 19 7.850 17.700 5.071 157 HG23 THR 19 HG23 THR 19 7.452 17.556 3.359 158 H SER 20 H SER 20 11.274 14.137 3.648 159 HA SER 20 HA SER 20 13.596 14.986 2.171 160 HB2 SER 20 HB2 SER 20 14.246 15.970 4.317 161 HB3 SER 20 HB3 SER 20 13.864 14.475 5.171 162 HG SER 20 HG SER 20 15.707 13.632 4.551 163 H GLU 21 H GLU 21 12.420 12.586 4.555 164 HA GLU 21 HA GLU 21 13.845 10.351 3.429 165 HB2 GLU 21 HB2 GLU 21 11.695 10.603 5.566 166 HB3 GLU 21 HB3 GLU 21 12.257 9.029 5.031 167 HG2 GLU 21 HG2 GLU 21 13.363 9.686 7.100 168 HG3 GLU 21 HG3 GLU 21 14.521 9.533 5.786 169 H CYS 22 H CYS 22 12.725 8.330 2.737 170 HA CYS 22 HA CYS 22 10.594 8.871 0.775 171 HB2 CYS 22 HB2 CYS 22 11.215 6.669 -0.176 172 HB3 CYS 22 HB3 CYS 22 12.620 7.719 -0.037 173 HG CYS 22 HG CYS 22 13.923 5.653 0.833 174 H VAL 23 H VAL 23 8.513 8.104 1.013 175 HA VAL 23 HA VAL 23 7.900 6.286 3.280 176 HB VAL 23 HB VAL 23 6.013 7.962 1.550 177 HG11 VAL 23 HG11 VAL 23 4.230 7.362 3.169 178 HG12 VAL 23 HG12 VAL 23 5.345 6.276 4.003 179 HG13 VAL 23 HG13 VAL 23 4.856 5.933 2.344 180 HG21 VAL 23 HG21 VAL 23 5.718 9.358 3.563 181 HG22 VAL 23 HG22 VAL 23 7.408 9.330 3.057 182 HG23 VAL 23 HG23 VAL 23 6.887 8.364 4.438 183 H MET 24 H MET 24 8.156 4.193 2.664 184 HA MET 24 HA MET 24 7.016 3.286 0.083 185 HB2 MET 24 HB2 MET 24 9.434 2.750 0.493 186 HB3 MET 24 HB3 MET 24 8.972 1.803 1.901 187 HG2 MET 24 HG2 MET 24 7.781 0.211 0.499 188 HG3 MET 24 HG3 MET 24 8.061 1.208 -0.932 189 HE1 MET 24 HE1 MET 24 8.806 -1.901 -0.929 190 HE2 MET 24 HE2 MET 24 10.415 -1.870 -1.648 191 HE3 MET 24 HE3 MET 24 9.142 -0.841 -2.302 192 H LEU 25 H LEU 25 4.877 3.267 0.738 193 HA LEU 25 HA LEU 25 3.882 1.544 2.843 194 HB2 LEU 25 HB2 LEU 25 2.398 2.732 0.459 195 HB3 LEU 25 HB3 LEU 25 1.666 2.054 1.908 196 HG LEU 25 HG LEU 25 3.332 4.602 1.786 197 HD11 LEU 25 HD11 LEU 25 0.345 4.261 2.200 198 HD12 LEU 25 HD12 LEU 25 1.132 4.888 0.749 199 HD13 LEU 25 HD13 LEU 25 1.238 5.786 2.260 200 HD21 LEU 25 HD21 LEU 25 3.646 3.482 3.948 201 HD22 LEU 25 HD22 LEU 25 1.899 3.370 4.171 202 HD23 LEU 25 HD23 LEU 25 2.688 4.948 4.141 203 H ALA 26 H ALA 26 2.939 -0.539 2.531 204 HA ALA 26 HA ALA 26 3.007 -1.774 -0.140 205 HB1 ALA 26 HB1 ALA 26 4.258 -3.742 0.659 206 HB2 ALA 26 HB2 ALA 26 4.442 -2.996 2.249 207 HB3 ALA 26 HB3 ALA 26 5.221 -2.273 0.842 208 H CYS 27 H CYS 27 1.400 -3.207 -0.461 209 HA CYS 27 HA CYS 27 -0.109 -4.363 1.780 210 HB2 CYS 27 HB2 CYS 27 -1.352 -2.333 1.063 211 HB3 CYS 27 HB3 CYS 27 -1.436 -2.964 -0.581 212 HG CYS 27 HG CYS 27 -2.941 -4.282 2.196 213 H GLU 28 H GLU 28 -0.903 -6.401 1.378 214 HA GLU 28 HA GLU 28 -0.398 -7.632 -1.261 215 HB2 GLU 28 HB2 GLU 28 1.457 -8.168 0.364 216 HB3 GLU 28 HB3 GLU 28 0.270 -8.933 1.417 217 HG2 GLU 28 HG2 GLU 28 -0.288 -10.452 -0.596 218 HG3 GLU 28 HG3 GLU 28 1.183 -9.823 -1.336 219 H VAL 29 H VAL 29 -2.102 -8.716 -2.006 220 HA VAL 29 HA VAL 29 -4.310 -9.538 -0.234 221 HB VAL 29 HB VAL 29 -5.588 -9.962 -2.321 222 HG11 VAL 29 HG11 VAL 29 -5.809 -7.628 -3.099 223 HG12 VAL 29 HG12 VAL 29 -4.282 -7.212 -2.319 224 HG13 VAL 29 HG13 VAL 29 -5.666 -7.699 -1.340 225 HG21 VAL 29 HG21 VAL 29 -3.745 -10.665 -3.801 226 HG22 VAL 29 HG22 VAL 29 -3.094 -9.025 -3.801 227 HG23 VAL 29 HG23 VAL 29 -4.663 -9.351 -4.542 228 H ASP 30 H ASP 30 -5.275 -11.702 -0.710 229 HA ASP 30 HA ASP 30 -3.274 -13.819 -0.833 230 HB2 ASP 30 HB2 ASP 30 -4.926 -13.770 1.000 231 HB3 ASP 30 HB3 ASP 30 -6.242 -13.816 -0.156 232 H ARG 31 H ARG 31 -5.815 -12.414 -2.795 233 HA ARG 31 HA ARG 31 -5.855 -14.646 -4.728 234 HB2 ARG 31 HB2 ARG 31 -8.041 -13.787 -3.965 235 HB3 ARG 31 HB3 ARG 31 -7.608 -12.159 -4.476 236 HG2 ARG 31 HG2 ARG 31 -7.561 -12.935 -6.842 237 HG3 ARG 31 HG3 ARG 31 -8.026 -14.552 -6.306 238 HD2 ARG 31 HD2 ARG 31 -10.138 -13.606 -5.380 239 HD3 ARG 31 HD3 ARG 31 -9.664 -12.015 -5.989 240 HE ARG 31 HE ARG 31 -9.703 -13.972 -8.070 241 HH11 ARG 31 HH11 ARG 31 -11.820 -11.948 -6.210 242 HH12 ARG 31 HH12 ARG 31 -13.051 -11.963 -7.418 243 HH21 ARG 31 HH21 ARG 31 -11.313 -13.982 -9.574 244 HH22 ARG 31 HH22 ARG 31 -12.775 -13.104 -9.290 245 H GLU 32 H GLU 32 -4.130 -14.467 -6.100 246 HA GLU 32 HA GLU 32 -2.711 -12.181 -6.874 247 HB2 GLU 32 HB2 GLU 32 -1.742 -13.585 -8.673 248 HB3 GLU 32 HB3 GLU 32 -1.789 -14.436 -7.133 249 HG2 GLU 32 HG2 GLU 32 -3.665 -15.783 -7.833 250 HG3 GLU 32 HG3 GLU 32 -3.902 -14.811 -9.282 251 H ASP 33 H ASP 33 -5.634 -13.527 -8.218 252 HA ASP 33 HA ASP 33 -5.691 -12.325 -10.769 253 HB2 ASP 33 HB2 ASP 33 -8.116 -13.063 -9.073 254 HB3 ASP 33 HB3 ASP 33 -8.019 -12.998 -10.833 255 H ALA 34 H ALA 34 -6.397 -11.022 -7.609 256 HA ALA 34 HA ALA 34 -7.389 -8.482 -8.753 257 HB1 ALA 34 HB1 ALA 34 -9.187 -8.395 -7.067 258 HB2 ALA 34 HB2 ALA 34 -8.715 -9.987 -6.464 259 HB3 ALA 34 HB3 ALA 34 -9.364 -9.816 -8.098 260 HA PRO 35 HA PRO 35 -4.325 -7.312 -5.420 261 HB2 PRO 35 HB2 PRO 35 -3.032 -5.369 -6.807 262 HB3 PRO 35 HB3 PRO 35 -2.635 -7.081 -7.031 263 HG2 PRO 35 HG2 PRO 35 -4.405 -5.306 -8.722 264 HG3 PRO 35 HG3 PRO 35 -3.130 -6.431 -9.243 265 HD2 PRO 35 HD2 PRO 35 -5.794 -7.088 -9.283 266 HD3 PRO 35 HD3 PRO 35 -4.513 -8.296 -9.031 267 H VAL 36 H VAL 36 -3.896 -4.765 -4.780 268 HA VAL 36 HA VAL 36 -6.581 -3.746 -4.202 269 HB VAL 36 HB VAL 36 -5.608 -2.350 -2.519 270 HG11 VAL 36 HG11 VAL 36 -5.725 -4.724 -1.911 271 HG12 VAL 36 HG12 VAL 36 -4.359 -3.940 -1.113 272 HG13 VAL 36 HG13 VAL 36 -4.083 -4.975 -2.517 273 HG21 VAL 36 HG21 VAL 36 -2.856 -2.908 -3.689 274 HG22 VAL 36 HG22 VAL 36 -3.154 -2.037 -2.188 275 HG23 VAL 36 HG23 VAL 36 -3.711 -1.368 -3.722 276 H ARG 37 H ARG 37 -7.255 -1.542 -4.528 277 HA ARG 37 HA ARG 37 -5.780 0.087 -6.493 278 HB2 ARG 37 HB2 ARG 37 -8.587 0.183 -5.367 279 HB3 ARG 37 HB3 ARG 37 -7.876 1.682 -5.929 280 HG2 ARG 37 HG2 ARG 37 -9.109 0.989 -7.761 281 HG3 ARG 37 HG3 ARG 37 -7.489 0.440 -8.172 282 HD2 ARG 37 HD2 ARG 37 -9.624 -1.342 -6.960 283 HD3 ARG 37 HD3 ARG 37 -9.359 -1.186 -8.693 284 HE ARG 37 HE ARG 37 -7.736 -2.629 -6.766 285 HH11 ARG 37 HH11 ARG 37 -7.771 -1.343 -9.977 286 HH12 ARG 37 HH12 ARG 37 -6.686 -2.546 -10.570 287 HH21 ARG 37 HH21 ARG 37 -6.339 -4.125 -7.565 288 HH22 ARG 37 HH22 ARG 37 -5.881 -4.086 -9.229 289 H TRP 38 H TRP 38 -4.447 1.688 -5.785 290 HA TRP 38 HA TRP 38 -4.262 2.336 -2.941 291 HB2 TRP 38 HB2 TRP 38 -2.592 3.190 -5.357 292 HB3 TRP 38 HB3 TRP 38 -2.316 3.809 -3.735 293 HD1 TRP 38 HD1 TRP 38 -1.769 0.673 -5.864 294 HE1 TRP 38 HE1 TRP 38 -0.211 -0.912 -4.576 295 HE3 TRP 38 HE3 TRP 38 -1.660 3.098 -1.361 296 HZ2 TRP 38 HZ2 TRP 38 0.900 -1.138 -1.990 297 HZ3 TRP 38 HZ3 TRP 38 -0.332 2.134 0.474 298 HH2 TRP 38 HH2 TRP 38 0.927 0.056 0.163 299 H TYR 39 H TYR 39 -5.423 3.940 -2.084 300 HA TYR 39 HA TYR 39 -6.294 6.278 -3.705 301 HB2 TYR 39 HB2 TYR 39 -7.556 5.053 -1.203 302 HB3 TYR 39 HB3 TYR 39 -8.083 6.565 -1.938 303 HD1 TYR 39 HD2 TYR 39 -9.262 6.564 -4.122 304 HD2 TYR 39 HD1 TYR 39 -8.130 2.893 -2.243 305 HE1 TYR 39 HE2 TYR 39 -10.762 5.333 -5.620 306 HE2 TYR 39 HE1 TYR 39 -9.637 1.673 -3.756 307 HH TYR 39 HH TYR 39 -11.621 2.087 -5.102 308 H LYS 40 H LYS 40 -5.837 8.333 -2.902 309 HA LYS 40 HA LYS 40 -3.861 8.477 -0.713 310 HB2 LYS 40 HB2 LYS 40 -3.311 9.487 -2.922 311 HB3 LYS 40 HB3 LYS 40 -4.676 10.588 -2.748 312 HG2 LYS 40 HG2 LYS 40 -3.607 11.571 -0.733 313 HG3 LYS 40 HG3 LYS 40 -2.235 10.480 -0.944 314 HD2 LYS 40 HD2 LYS 40 -1.721 11.536 -3.116 315 HD3 LYS 40 HD3 LYS 40 -3.118 12.604 -2.937 316 HE2 LYS 40 HE2 LYS 40 -0.674 12.535 -1.144 317 HE3 LYS 40 HE3 LYS 40 -1.048 13.769 -2.347 318 HZ1 LYS 40 HZ1 LYS 40 -2.584 13.183 0.126 319 HZ2 LYS 40 HZ2 LYS 40 -3.070 14.284 -1.061 320 HZ3 LYS 40 HZ3 LYS 40 -1.646 14.553 -0.191 321 H ASP 41 H ASP 41 -7.067 9.604 -1.557 322 HA ASP 41 HA ASP 41 -7.656 10.467 1.157 323 HB2 ASP 41 HB2 ASP 41 -6.630 12.496 0.108 324 HB3 ASP 41 HB3 ASP 41 -7.806 12.425 -1.196 325 H GLY 42 H GLY 42 -9.086 11.109 -2.073 326 HA2 GLY 42 HA2 GLY 42 -11.395 9.343 -1.480 327 HA3 GLY 42 HA3 GLY 42 -11.660 11.010 -1.976 328 H GLN 43 H GLN 43 -8.928 9.943 -3.509 329 HA GLN 43 HA GLN 43 -10.164 8.447 -5.691 330 HB2 GLN 43 HB2 GLN 43 -10.321 10.992 -6.208 331 HB3 GLN 43 HB3 GLN 43 -8.565 10.977 -6.333 332 HG2 GLN 43 HG2 GLN 43 -8.686 9.395 -8.203 333 HG3 GLN 43 HG3 GLN 43 -10.437 9.294 -8.039 334 HE21 GLN 43 HE21 GLN 43 -11.692 11.125 -8.627 335 HE22 GLN 43 HE22 GLN 43 -11.079 12.318 -9.712 336 H GLU 44 H GLU 44 -8.388 7.671 -7.235 337 HA GLU 44 HA GLU 44 -6.409 6.271 -5.837 338 HB2 GLU 44 HB2 GLU 44 -7.369 5.553 -8.007 339 HB3 GLU 44 HB3 GLU 44 -6.541 6.875 -8.822 340 HG2 GLU 44 HG2 GLU 44 -4.368 5.885 -8.360 341 HG3 GLU 44 HG3 GLU 44 -5.100 4.653 -7.333 342 H VAL 45 H VAL 45 -4.111 6.472 -5.722 343 HA VAL 45 HA VAL 45 -3.189 9.081 -5.129 344 HB VAL 45 HB VAL 45 -1.359 6.678 -5.567 345 HG11 VAL 45 HG11 VAL 45 -0.169 8.824 -5.253 346 HG12 VAL 45 HG12 VAL 45 0.098 7.760 -3.874 347 HG13 VAL 45 HG13 VAL 45 -1.039 9.105 -3.742 348 HG21 VAL 45 HG21 VAL 45 -3.186 5.991 -4.079 349 HG22 VAL 45 HG22 VAL 45 -2.893 7.384 -3.038 350 HG23 VAL 45 HG23 VAL 45 -1.674 6.117 -3.180 351 H GLU 46 H GLU 46 -2.964 7.190 -8.041 352 HA GLU 46 HA GLU 46 -2.305 7.547 -10.168 353 HB2 GLU 46 HB2 GLU 46 -1.994 10.466 -9.343 354 HB3 GLU 46 HB3 GLU 46 -2.050 9.880 -11.005 355 HG2 GLU 46 HG2 GLU 46 -4.368 9.232 -10.777 356 HG3 GLU 46 HG3 GLU 46 -4.333 9.511 -9.039 357 H GLU 47 H GLU 47 -0.406 7.070 -11.200 358 HA GLU 47 HA GLU 47 2.115 7.263 -9.803 359 HB2 GLU 47 HB2 GLU 47 1.754 6.446 -12.727 360 HB3 GLU 47 HB3 GLU 47 3.129 6.110 -11.690 361 HG2 GLU 47 HG2 GLU 47 2.008 4.060 -11.819 362 HG3 GLU 47 HG3 GLU 47 1.513 4.713 -10.259 363 H SER 48 H SER 48 2.332 9.508 -9.526 364 HA SER 48 HA SER 48 2.465 11.296 -11.862 365 HB2 SER 48 HB2 SER 48 1.072 11.891 -9.842 366 HB3 SER 48 HB3 SER 48 2.551 11.992 -8.892 367 HG SER 48 HG SER 48 1.434 13.861 -10.417 368 H ASP 49 H ASP 49 4.222 13.265 -11.110 369 HA ASP 49 HA ASP 49 6.724 12.272 -11.918 370 HB2 ASP 49 HB2 ASP 49 6.129 14.926 -10.539 371 HB3 ASP 49 HB3 ASP 49 7.564 14.557 -11.498 372 H PHE 50 H PHE 50 5.445 12.654 -8.675 373 HA PHE 50 HA PHE 50 8.038 11.814 -7.484 374 HB2 PHE 50 HB2 PHE 50 5.792 13.465 -6.235 375 HB3 PHE 50 HB3 PHE 50 7.174 12.843 -5.340 376 HD1 PHE 50 HD2 PHE 50 6.156 15.239 -8.002 377 HD2 PHE 50 HD1 PHE 50 9.329 13.943 -5.442 378 HE1 PHE 50 HE2 PHE 50 7.455 17.245 -8.597 379 HE2 PHE 50 HE1 PHE 50 10.618 15.950 -6.046 380 HZ PHE 50 HZ PHE 50 9.691 17.599 -7.620 381 H VAL 51 H VAL 51 5.165 10.465 -8.384 382 HA VAL 51 HA VAL 51 5.106 8.566 -6.082 383 HB VAL 51 HB VAL 51 2.736 9.165 -7.919 384 HG11 VAL 51 HG11 VAL 51 1.404 7.917 -6.250 385 HG12 VAL 51 HG12 VAL 51 2.860 7.601 -5.305 386 HG13 VAL 51 HG13 VAL 51 2.689 6.909 -6.920 387 HG21 VAL 51 HG21 VAL 51 3.174 10.229 -5.103 388 HG22 VAL 51 HG22 VAL 51 1.704 10.418 -6.061 389 HG23 VAL 51 HG23 VAL 51 3.205 11.179 -6.589 390 H VAL 52 H VAL 52 5.836 6.545 -6.655 391 HA VAL 52 HA VAL 52 5.063 5.486 -9.325 392 HB VAL 52 HB VAL 52 7.050 3.959 -9.255 393 HG11 VAL 52 HG11 VAL 52 7.770 6.916 -9.164 394 HG12 VAL 52 HG12 VAL 52 7.155 6.044 -10.568 395 HG13 VAL 52 HG13 VAL 52 8.742 5.643 -9.910 396 HG21 VAL 52 HG21 VAL 52 8.944 4.415 -7.715 397 HG22 VAL 52 HG22 VAL 52 7.498 3.919 -6.833 398 HG23 VAL 52 HG23 VAL 52 7.964 5.619 -6.870 399 H LEU 53 H LEU 53 3.465 4.095 -9.130 400 HA LEU 53 HA LEU 53 3.107 2.395 -6.749 401 HB2 LEU 53 HB2 LEU 53 1.289 2.818 -9.164 402 HB3 LEU 53 HB3 LEU 53 0.904 1.810 -7.777 403 HG LEU 53 HG LEU 53 1.210 4.846 -7.767 404 HD11 LEU 53 HD11 LEU 53 -1.187 4.871 -7.175 405 HD12 LEU 53 HD12 LEU 53 -1.251 3.113 -7.343 406 HD13 LEU 53 HD13 LEU 53 -0.910 4.126 -8.747 407 HD21 LEU 53 HD21 LEU 53 0.641 2.979 -5.438 408 HD22 LEU 53 HD22 LEU 53 0.519 4.741 -5.387 409 HD23 LEU 53 HD23 LEU 53 2.080 3.977 -5.668 410 H GLU 54 H GLU 54 4.246 0.537 -6.823 411 HA GLU 54 HA GLU 54 4.721 -0.864 -9.388 412 HB2 GLU 54 HB2 GLU 54 6.142 -1.157 -6.708 413 HB3 GLU 54 HB3 GLU 54 6.587 -1.987 -8.199 414 HG2 GLU 54 HG2 GLU 54 7.112 0.197 -9.248 415 HG3 GLU 54 HG3 GLU 54 6.669 1.024 -7.754 416 H ASN 55 H ASN 55 4.351 -3.093 -9.594 417 HA ASN 55 HA ASN 55 2.768 -4.479 -7.513 418 HB2 ASN 55 HB2 ASN 55 1.187 -3.501 -9.189 419 HB3 ASN 55 HB3 ASN 55 2.026 -4.352 -10.481 420 HD21 ASN 55 HD21 ASN 55 1.739 -6.625 -10.657 421 HD22 ASN 55 HD22 ASN 55 0.471 -7.458 -9.829 422 H GLU 56 H GLU 56 3.013 -6.706 -7.454 423 HA GLU 56 HA GLU 56 4.238 -8.158 -9.665 424 HB2 GLU 56 HB2 GLU 56 6.169 -7.651 -8.207 425 HB3 GLU 56 HB3 GLU 56 5.334 -8.323 -6.816 426 HG2 GLU 56 HG2 GLU 56 7.087 -9.822 -7.778 427 HG3 GLU 56 HG3 GLU 56 5.485 -10.558 -7.703 428 H GLY 57 H GLY 57 2.160 -8.943 -10.015 429 HA2 GLY 57 HA2 GLY 57 0.307 -10.261 -9.839 430 HA3 GLY 57 HA3 GLY 57 1.259 -11.280 -8.774 431 HA PRO 58 HA PRO 58 -1.753 -9.882 -5.649 432 HB2 PRO 58 HB2 PRO 58 -0.439 -11.371 -3.546 433 HB3 PRO 58 HB3 PRO 58 -1.871 -11.831 -4.465 434 HG2 PRO 58 HG2 PRO 58 0.648 -13.075 -4.614 435 HG3 PRO 58 HG3 PRO 58 -0.691 -13.290 -5.752 436 HD2 PRO 58 HD2 PRO 58 1.776 -11.626 -6.016 437 HD3 PRO 58 HD3 PRO 58 0.816 -12.434 -7.274 438 H HIS 59 H HIS 59 1.615 -9.231 -5.623 439 HA HIS 59 HA HIS 59 1.673 -7.766 -3.091 440 HB2 HIS 59 HB2 HIS 59 3.863 -8.145 -5.184 441 HB3 HIS 59 HB3 HIS 59 4.079 -7.434 -3.584 442 HD1 HIS 59 HD1 HIS 59 4.177 -9.052 -1.576 443 HD2 HIS 59 HD2 HIS 59 3.615 -10.969 -5.216 444 HE1 HIS 59 HE1 HIS 59 4.598 -11.475 -1.131 445 HE2 HIS 59 HE2 HIS 59 4.464 -12.563 -3.376 446 H ARG 60 H ARG 60 1.652 -5.616 -2.877 447 HA ARG 60 HA ARG 60 1.794 -3.791 -5.210 448 HB2 ARG 60 HB2 ARG 60 -0.318 -3.879 -3.016 449 HB3 ARG 60 HB3 ARG 60 -0.012 -2.411 -3.932 450 HG2 ARG 60 HG2 ARG 60 -0.820 -5.028 -5.233 451 HG3 ARG 60 HG3 ARG 60 -1.980 -3.824 -4.679 452 HD2 ARG 60 HD2 ARG 60 -0.383 -2.226 -6.205 453 HD3 ARG 60 HD3 ARG 60 -0.169 -3.763 -7.054 454 HE ARG 60 HE ARG 60 -2.903 -2.906 -6.473 455 HH11 ARG 60 HH11 ARG 60 -0.512 -3.391 -8.903 456 HH12 ARG 60 HH12 ARG 60 -1.582 -2.960 -10.187 457 HH21 ARG 60 HH21 ARG 60 -4.245 -2.362 -8.126 458 HH22 ARG 60 HH22 ARG 60 -3.665 -2.393 -9.753 459 H ARG 61 H ARG 61 2.787 -1.805 -4.757 460 HA ARG 61 HA ARG 61 3.408 -1.009 -2.039 461 HB2 ARG 61 HB2 ARG 61 5.933 -0.779 -2.621 462 HB3 ARG 61 HB3 ARG 61 5.316 -2.362 -2.166 463 HG2 ARG 61 HG2 ARG 61 5.335 -3.125 -4.449 464 HG3 ARG 61 HG3 ARG 61 5.698 -1.502 -5.051 465 HD2 ARG 61 HD2 ARG 61 7.900 -1.566 -3.994 466 HD3 ARG 61 HD3 ARG 61 7.543 -3.134 -3.268 467 HE ARG 61 HE ARG 61 7.299 -3.820 -5.777 468 HH11 ARG 61 HH11 ARG 61 9.661 -1.617 -4.550 469 HH12 ARG 61 HH12 ARG 61 10.855 -2.102 -5.692 470 HH21 ARG 61 HH21 ARG 61 8.858 -4.436 -7.216 471 HH22 ARG 61 HH22 ARG 61 10.411 -3.680 -7.177 472 H LEU 62 H LEU 62 3.196 1.078 -1.874 473 HA LEU 62 HA LEU 62 3.507 2.942 -4.117 474 HB2 LEU 62 HB2 LEU 62 1.514 2.986 -2.571 475 HB3 LEU 62 HB3 LEU 62 2.574 3.429 -1.251 476 HG LEU 62 HG LEU 62 2.274 5.189 -3.726 477 HD11 LEU 62 HD11 LEU 62 0.602 5.339 -1.199 478 HD12 LEU 62 HD12 LEU 62 0.038 4.837 -2.795 479 HD13 LEU 62 HD13 LEU 62 0.577 6.493 -2.537 480 HD21 LEU 62 HD21 LEU 62 2.964 7.028 -2.232 481 HD22 LEU 62 HD22 LEU 62 4.195 5.772 -2.306 482 HD23 LEU 62 HD23 LEU 62 3.145 5.887 -0.892 483 H VAL 63 H VAL 63 5.631 3.549 -4.433 484 HA VAL 63 HA VAL 63 7.307 4.143 -2.058 485 HB VAL 63 HB VAL 63 8.254 3.764 -4.937 486 HG11 VAL 63 HG11 VAL 63 10.520 3.587 -3.919 487 HG12 VAL 63 HG12 VAL 63 9.829 3.955 -2.335 488 HG13 VAL 63 HG13 VAL 63 9.783 5.161 -3.623 489 HG21 VAL 63 HG21 VAL 63 8.338 1.756 -2.644 490 HG22 VAL 63 HG22 VAL 63 9.081 1.536 -4.231 491 HG23 VAL 63 HG23 VAL 63 7.327 1.643 -4.087 492 H LEU 64 H LEU 64 7.274 6.209 -1.510 493 HA LEU 64 HA LEU 64 7.087 8.389 -3.500 494 HB2 LEU 64 HB2 LEU 64 5.646 8.036 -1.157 495 HB3 LEU 64 HB3 LEU 64 6.959 9.021 -0.560 496 HG LEU 64 HG LEU 64 5.172 10.517 -1.052 497 HD11 LEU 64 HD11 LEU 64 6.023 12.020 -2.759 498 HD12 LEU 64 HD12 LEU 64 7.049 10.739 -3.420 499 HD13 LEU 64 HD13 LEU 64 7.349 11.366 -1.799 500 HD21 LEU 64 HD21 LEU 64 4.898 9.256 -3.795 501 HD22 LEU 64 HD22 LEU 64 3.949 10.607 -3.166 502 HD23 LEU 64 HD23 LEU 64 3.812 9.015 -2.424 503 HA PRO 65 HA PRO 65 11.673 8.069 -2.700 504 HB2 PRO 65 HB2 PRO 65 12.391 9.891 -4.707 505 HB3 PRO 65 HB3 PRO 65 12.130 8.159 -4.958 506 HG2 PRO 65 HG2 PRO 65 10.202 10.445 -5.379 507 HG3 PRO 65 HG3 PRO 65 10.544 9.064 -6.444 508 HD2 PRO 65 HD2 PRO 65 8.362 9.056 -4.913 509 HD3 PRO 65 HD3 PRO 65 9.315 7.564 -5.089 510 H ALA 66 H ALA 66 10.595 11.391 -3.607 511 HA ALA 66 HA ALA 66 11.790 12.455 -1.103 512 HB1 ALA 66 HB1 ALA 66 11.934 14.630 -2.273 513 HB2 ALA 66 HB2 ALA 66 11.225 13.910 -3.723 514 HB3 ALA 66 HB3 ALA 66 12.810 13.381 -3.157 515 H THR 67 H THR 67 10.024 12.155 0.282 516 HA THR 67 HA THR 67 7.318 12.593 -0.427 517 HB THR 67 HB THR 67 8.384 12.686 2.433 518 HG1 THR 67 HG1 THR 67 8.949 10.675 2.050 519 HG21 THR 67 HG21 THR 67 5.678 11.819 1.331 520 HG22 THR 67 HG22 THR 67 5.994 13.338 2.170 521 HG23 THR 67 HG23 THR 67 6.161 11.808 3.030 522 H GLN 68 H GLN 68 6.250 14.422 -0.716 523 HA GLN 68 HA GLN 68 7.284 16.996 0.291 524 HB2 GLN 68 HB2 GLN 68 5.108 16.455 -1.772 525 HB3 GLN 68 HB3 GLN 68 5.854 18.009 -1.420 526 HG2 GLN 68 HG2 GLN 68 8.012 17.154 -2.284 527 HG3 GLN 68 HG3 GLN 68 7.249 15.608 -2.653 528 HE21 GLN 68 HE21 GLN 68 5.670 15.544 -4.345 529 HE22 GLN 68 HE22 GLN 68 5.647 16.751 -5.577 530 HA PRO 69 HA PRO 69 4.260 17.545 3.505 531 HB2 PRO 69 HB2 PRO 69 3.087 20.040 2.963 532 HB3 PRO 69 HB3 PRO 69 4.638 19.794 3.776 533 HG2 PRO 69 HG2 PRO 69 4.096 20.382 0.867 534 HG3 PRO 69 HG3 PRO 69 5.330 21.080 1.940 535 HD2 PRO 69 HD2 PRO 69 5.993 19.189 0.183 536 HD3 PRO 69 HD3 PRO 69 6.692 19.159 1.821 537 H SER 70 H SER 70 2.744 18.531 0.376 538 HA SER 70 HA SER 70 0.110 17.623 1.290 539 HB2 SER 70 HB2 SER 70 0.941 18.908 -1.342 540 HB3 SER 70 HB3 SER 70 -0.718 18.562 -0.859 541 HG SER 70 HG SER 70 0.071 20.768 -0.453 542 H ASP 71 H ASP 71 2.747 16.038 -0.080 543 HA ASP 71 HA ASP 71 1.230 14.118 -1.685 544 HB2 ASP 71 HB2 ASP 71 4.167 14.298 -0.912 545 HB3 ASP 71 HB3 ASP 71 3.506 12.887 -1.742 546 H GLY 72 H GLY 72 1.639 14.553 1.593 547 HA2 GLY 72 HA2 GLY 72 1.421 11.725 2.375 548 HA3 GLY 72 HA3 GLY 72 1.474 13.115 3.449 549 H GLY 73 H GLY 73 -0.330 11.553 4.315 550 HA2 GLY 73 HA2 GLY 73 -2.625 12.619 4.829 551 HA3 GLY 73 HA3 GLY 73 -2.978 12.237 3.148 552 H GLU 74 H GLU 74 -4.766 10.935 3.984 553 HA GLU 74 HA GLU 74 -4.015 8.441 5.384 554 HB2 GLU 74 HB2 GLU 74 -6.706 9.794 4.980 555 HB3 GLU 74 HB3 GLU 74 -6.536 8.177 5.666 556 HG2 GLU 74 HG2 GLU 74 -5.244 9.065 7.548 557 HG3 GLU 74 HG3 GLU 74 -5.282 10.684 6.841 558 H PHE 75 H PHE 75 -3.340 7.020 3.936 559 HA PHE 75 HA PHE 75 -4.522 6.724 1.294 560 HB2 PHE 75 HB2 PHE 75 -2.134 5.364 2.620 561 HB3 PHE 75 HB3 PHE 75 -2.637 5.081 0.956 562 HD1 PHE 75 HD2 PHE 75 -1.342 7.722 3.276 563 HD2 PHE 75 HD1 PHE 75 -1.944 6.560 -0.794 564 HE1 PHE 75 HE2 PHE 75 0.052 9.605 2.525 565 HE2 PHE 75 HE1 PHE 75 -0.550 8.448 -1.531 566 HZ PHE 75 HZ PHE 75 0.451 9.970 0.124 567 H GLN 76 H GLN 76 -5.430 4.779 0.512 568 HA GLN 76 HA GLN 76 -6.148 2.666 2.443 569 HB2 GLN 76 HB2 GLN 76 -8.033 4.293 2.384 570 HB3 GLN 76 HB3 GLN 76 -8.159 4.085 0.639 571 HG2 GLN 76 HG2 GLN 76 -8.687 1.653 1.030 572 HG3 GLN 76 HG3 GLN 76 -8.694 1.979 2.764 573 HE21 GLN 76 HE21 GLN 76 -10.866 1.393 2.978 574 HE22 GLN 76 HE22 GLN 76 -12.155 2.356 2.359 575 H CYS 77 H CYS 77 -5.926 0.691 1.610 576 HA CYS 77 HA CYS 77 -5.580 0.294 -1.301 577 HB2 CYS 77 HB2 CYS 77 -4.693 -1.342 1.106 578 HB3 CYS 77 HB3 CYS 77 -4.481 -1.860 -0.567 579 HG CYS 77 HG CYS 77 -3.279 1.145 -0.338 580 H VAL 78 H VAL 78 -7.693 -0.072 -2.089 581 HA VAL 78 HA VAL 78 -9.465 -1.925 -0.625 582 HB VAL 78 HB VAL 78 -10.092 -0.298 -3.131 583 HG11 VAL 78 HG11 VAL 78 -11.957 -1.870 -1.295 584 HG12 VAL 78 HG12 VAL 78 -11.543 -2.281 -2.960 585 HG13 VAL 78 HG13 VAL 78 -12.476 -0.824 -2.621 586 HG21 VAL 78 HG21 VAL 78 -9.640 1.173 -1.212 587 HG22 VAL 78 HG22 VAL 78 -10.796 0.277 -0.222 588 HG23 VAL 78 HG23 VAL 78 -11.357 1.204 -1.617 589 H ALA 79 H ALA 79 -9.007 -4.004 -1.000 590 HA ALA 79 HA ALA 79 -8.135 -5.110 -3.530 591 HB1 ALA 79 HB1 ALA 79 -8.264 -7.262 -2.361 592 HB2 ALA 79 HB2 ALA 79 -9.093 -6.495 -1.003 593 HB3 ALA 79 HB3 ALA 79 -7.422 -6.067 -1.378 594 H GLY 80 H GLY 80 -11.154 -4.926 -1.715 595 HA2 GLY 80 HA2 GLY 80 -12.958 -5.058 -3.828 596 HA3 GLY 80 HA3 GLY 80 -12.727 -6.723 -3.291 597 H ASP 81 H ASP 81 -13.720 -7.410 -1.418 598 HA ASP 81 HA ASP 81 -15.473 -5.677 0.084 599 HB2 ASP 81 HB2 ASP 81 -15.884 -7.676 1.494 600 HB3 ASP 81 HB3 ASP 81 -16.043 -8.056 -0.215 601 H GLU 82 H GLU 82 -12.186 -6.742 0.322 602 HA GLU 82 HA GLU 82 -11.766 -5.771 3.061 603 HB2 GLU 82 HB2 GLU 82 -10.013 -7.266 1.074 604 HB3 GLU 82 HB3 GLU 82 -9.417 -6.702 2.634 605 HG2 GLU 82 HG2 GLU 82 -11.832 -8.517 2.424 606 HG3 GLU 82 HG3 GLU 82 -10.196 -9.156 2.420 607 H CYS 83 H CYS 83 -10.417 -4.081 3.603 608 HA CYS 83 HA CYS 83 -8.895 -2.625 1.587 609 HB2 CYS 83 HB2 CYS 83 -9.906 -0.423 2.177 610 HB3 CYS 83 HB3 CYS 83 -11.070 -1.511 1.432 611 HG CYS 83 HG CYS 83 -10.927 -1.284 4.822 612 H ALA 84 H ALA 84 -6.981 -2.036 2.400 613 HA ALA 84 HA ALA 84 -6.431 -2.107 5.284 614 HB1 ALA 84 HB1 ALA 84 -4.536 -1.838 2.914 615 HB2 ALA 84 HB2 ALA 84 -4.928 -3.341 3.753 616 HB3 ALA 84 HB3 ALA 84 -4.059 -2.061 4.602 617 H TYR 85 H TYR 85 -5.150 -0.325 6.271 618 HA TYR 85 HA TYR 85 -5.687 2.337 5.058 619 HB2 TYR 85 HB2 TYR 85 -6.167 1.540 7.967 620 HB3 TYR 85 HB3 TYR 85 -6.296 3.180 7.339 621 HD1 TYR 85 HD2 TYR 85 -8.031 3.591 5.423 622 HD2 TYR 85 HD1 TYR 85 -8.089 0.112 7.914 623 HE1 TYR 85 HE2 TYR 85 -10.379 3.190 4.816 624 HE2 TYR 85 HE1 TYR 85 -10.434 -0.285 7.291 625 HH TYR 85 HH TYR 85 -12.371 1.031 6.477 626 H PHE 86 H PHE 86 -4.121 3.824 5.252 627 HA PHE 86 HA PHE 86 -1.787 3.417 7.018 628 HB2 PHE 86 HB2 PHE 86 -1.638 4.431 4.130 629 HB3 PHE 86 HB3 PHE 86 -0.281 4.236 5.232 630 HD1 PHE 86 HD1 PHE 86 -2.676 2.468 3.036 631 HD2 PHE 86 HD2 PHE 86 0.704 2.023 5.624 632 HE1 PHE 86 HE1 PHE 86 -2.280 0.210 2.150 633 HE2 PHE 86 HE2 PHE 86 1.091 -0.233 4.722 634 HZ PHE 86 HZ PHE 86 -0.402 -1.141 2.985 635 H THR 87 H THR 87 -2.033 5.146 8.469 636 HA THR 87 HA THR 87 -2.895 7.779 7.454 637 HB THR 87 HB THR 87 -2.297 6.883 10.310 638 HG1 THR 87 HG1 THR 87 -4.851 7.668 9.481 639 HG21 THR 87 HG21 THR 87 -3.352 9.018 11.019 640 HG22 THR 87 HG22 THR 87 -3.466 9.522 9.335 641 HG23 THR 87 HG23 THR 87 -1.881 9.316 10.083 642 H VAL 88 H VAL 88 -1.224 8.613 6.304 643 HA VAL 88 HA VAL 88 1.512 8.696 7.396 644 HB VAL 88 HB VAL 88 0.466 9.422 4.616 645 HG11 VAL 88 HG11 VAL 88 3.348 9.296 5.593 646 HG12 VAL 88 HG12 VAL 88 2.468 10.751 5.112 647 HG13 VAL 88 HG13 VAL 88 2.849 9.514 3.913 648 HG21 VAL 88 HG21 VAL 88 0.323 7.002 5.061 649 HG22 VAL 88 HG22 VAL 88 2.027 6.965 5.521 650 HG23 VAL 88 HG23 VAL 88 1.570 7.339 3.858 651 H THR 89 H THR 89 1.629 10.350 8.839 652 HA THR 89 HA THR 89 0.512 13.017 8.146 653 HB THR 89 HB THR 89 1.433 12.044 10.896 654 HG1 THR 89 HG1 THR 89 -1.120 12.034 9.637 655 HG21 THR 89 HG21 THR 89 -0.226 14.478 10.091 656 HG22 THR 89 HG22 THR 89 1.438 14.522 10.678 657 HG23 THR 89 HG23 THR 89 0.143 13.992 11.749 658 H ILE 90 H ILE 90 1.944 14.476 7.395 659 HA ILE 90 HA ILE 90 4.778 14.013 7.358 660 HB ILE 90 HB ILE 90 3.330 16.593 6.600 661 HG12 ILE 90 HG12 ILE 90 2.384 14.717 5.299 662 HG13 ILE 90 HG13 ILE 90 3.335 15.757 4.259 663 HG21 ILE 90 HG21 ILE 90 6.079 15.561 5.782 664 HG22 ILE 90 HG22 ILE 90 5.744 16.921 6.853 665 HG23 ILE 90 HG23 ILE 90 5.305 17.019 5.150 666 HD11 ILE 90 HD11 ILE 90 3.672 13.475 3.676 667 HD12 ILE 90 HD12 ILE 90 4.144 13.073 5.325 668 HD13 ILE 90 HD13 ILE 90 5.167 14.127 4.344 Start of MODEL 18 1 H HIS 1 H1 HIS 1 -13.190 -20.781 -8.366 2 HA HIS 1 HA HIS 1 -12.464 -17.933 -8.712 3 HB2 HIS 1 HB2 HIS 1 -15.087 -19.377 -9.290 4 HB3 HIS 1 HB3 HIS 1 -14.878 -17.630 -9.350 5 HD1 HIS 1 HD1 HIS 1 -13.568 -16.661 -11.362 6 HD2 HIS 1 HD2 HIS 1 -14.092 -20.777 -11.535 7 HE1 HIS 1 HE1 HIS 1 -12.960 -17.314 -13.696 8 HE2 HIS 1 HE2 HIS 1 -13.428 -19.779 -13.825 9 H MET 2 H MET 2 -11.872 -17.792 -6.504 10 HA MET 2 HA MET 2 -14.077 -17.938 -4.517 11 HB2 MET 2 HB2 MET 2 -11.053 -17.964 -4.049 12 HB3 MET 2 HB3 MET 2 -12.279 -18.055 -2.788 13 HG2 MET 2 HG2 MET 2 -13.062 -20.206 -3.757 14 HG3 MET 2 HG3 MET 2 -11.756 -20.116 -4.942 15 HE1 MET 2 HE1 MET 2 -10.675 -22.441 -4.318 16 HE2 MET 2 HE2 MET 2 -12.027 -22.724 -3.220 17 HE3 MET 2 HE3 MET 2 -10.374 -22.961 -2.659 18 HA PRO 3 HA PRO 3 -13.775 -13.403 -4.095 19 HB2 PRO 3 HB2 PRO 3 -14.288 -12.980 -1.436 20 HB3 PRO 3 HB3 PRO 3 -15.542 -13.482 -2.579 21 HG2 PRO 3 HG2 PRO 3 -13.925 -15.181 -0.674 22 HG3 PRO 3 HG3 PRO 3 -15.681 -15.187 -0.956 23 HD2 PRO 3 HD2 PRO 3 -14.056 -17.023 -2.111 24 HD3 PRO 3 HD3 PRO 3 -15.484 -16.388 -2.959 25 H VAL 4 H VAL 4 -12.599 -11.644 -2.682 26 HA VAL 4 HA VAL 4 -9.781 -12.522 -2.373 27 HB VAL 4 HB VAL 4 -10.176 -10.783 -4.075 28 HG11 VAL 4 HG11 VAL 4 -10.848 -8.487 -3.489 29 HG12 VAL 4 HG12 VAL 4 -11.132 -8.988 -1.820 30 HG13 VAL 4 HG13 VAL 4 -12.122 -9.652 -3.120 31 HG21 VAL 4 HG21 VAL 4 -8.427 -9.167 -3.403 32 HG22 VAL 4 HG22 VAL 4 -7.979 -10.815 -2.962 33 HG23 VAL 4 HG23 VAL 4 -8.566 -9.704 -1.724 34 H HIS 5 H HIS 5 -8.537 -11.937 -0.588 35 HA HIS 5 HA HIS 5 -9.639 -10.251 1.503 36 HB2 HIS 5 HB2 HIS 5 -10.357 -12.571 2.137 37 HB3 HIS 5 HB3 HIS 5 -8.667 -13.063 2.173 38 HD1 HIS 5 HD1 HIS 5 -7.503 -12.792 4.361 39 HD2 HIS 5 HD2 HIS 5 -10.938 -10.455 4.154 40 HE1 HIS 5 HE1 HIS 5 -7.773 -11.786 6.637 41 HE2 HIS 5 HE2 HIS 5 -9.789 -10.306 6.465 42 H ILE 6 H ILE 6 -8.120 -9.002 2.442 43 HA ILE 6 HA ILE 6 -5.394 -9.021 1.495 44 HB ILE 6 HB ILE 6 -6.574 -7.293 3.728 45 HG12 ILE 6 HG12 ILE 6 -6.409 -6.641 0.744 46 HG13 ILE 6 HG13 ILE 6 -7.885 -7.115 1.579 47 HG21 ILE 6 HG21 ILE 6 -4.133 -6.836 1.951 48 HG22 ILE 6 HG22 ILE 6 -4.100 -7.267 3.661 49 HG23 ILE 6 HG23 ILE 6 -4.747 -5.706 3.161 50 HD11 ILE 6 HD11 ILE 6 -6.273 -4.624 2.123 51 HD12 ILE 6 HD12 ILE 6 -7.768 -5.096 2.939 52 HD13 ILE 6 HD13 ILE 6 -7.781 -4.726 1.217 53 H VAL 7 H VAL 7 -3.684 -9.989 2.420 54 HA VAL 7 HA VAL 7 -3.986 -11.378 4.989 55 HB VAL 7 HB VAL 7 -1.850 -12.522 4.402 56 HG11 VAL 7 HG11 VAL 7 -3.979 -12.678 2.234 57 HG12 VAL 7 HG12 VAL 7 -4.000 -13.535 3.777 58 HG13 VAL 7 HG13 VAL 7 -2.762 -13.912 2.578 59 HG21 VAL 7 HG21 VAL 7 -1.993 -10.983 1.771 60 HG22 VAL 7 HG22 VAL 7 -0.855 -12.281 2.147 61 HG23 VAL 7 HG23 VAL 7 -0.779 -10.759 3.035 62 H ASP 8 H ASP 8 -2.110 -8.736 3.555 63 HA ASP 8 HA ASP 8 -1.378 -7.752 6.181 64 HB2 ASP 8 HB2 ASP 8 0.452 -9.422 5.553 65 HB3 ASP 8 HB3 ASP 8 0.884 -8.356 4.220 66 HA PRO 9 HA PRO 9 -1.313 -5.998 7.150 67 HB2 PRO 9 HB2 PRO 9 -2.340 -3.589 7.745 68 HB3 PRO 9 HB3 PRO 9 -0.659 -3.753 7.217 69 HG2 PRO 9 HG2 PRO 9 -3.072 -2.903 5.626 70 HG3 PRO 9 HG3 PRO 9 -1.444 -2.194 5.656 71 HD2 PRO 9 HD2 PRO 9 -2.344 -3.987 3.724 72 HD3 PRO 9 HD3 PRO 9 -0.632 -3.719 4.115 73 H ARG 10 H ARG 10 -3.033 -6.294 8.650 74 HA ARG 10 HA ARG 10 -5.503 -7.280 7.631 75 HB2 ARG 10 HB2 ARG 10 -4.577 -6.666 10.462 76 HB3 ARG 10 HB3 ARG 10 -6.128 -7.417 10.106 77 HG2 ARG 10 HG2 ARG 10 -3.418 -8.591 9.398 78 HG3 ARG 10 HG3 ARG 10 -4.402 -9.054 10.790 79 HD2 ARG 10 HD2 ARG 10 -6.216 -9.754 9.219 80 HD3 ARG 10 HD3 ARG 10 -5.145 -9.380 7.861 81 HE ARG 10 HE ARG 10 -3.614 -11.090 9.144 82 HH11 ARG 10 HH11 ARG 10 -7.028 -11.387 8.553 83 HH12 ARG 10 HH12 ARG 10 -6.957 -13.113 8.571 84 HH21 ARG 10 HH21 ARG 10 -3.588 -13.269 9.168 85 HH22 ARG 10 HH22 ARG 10 -5.043 -14.158 8.901 86 H GLU 11 H GLU 11 -4.770 -4.361 9.589 87 HA GLU 11 HA GLU 11 -7.413 -3.228 8.866 88 HB2 GLU 11 HB2 GLU 11 -7.050 -2.161 11.379 89 HB3 GLU 11 HB3 GLU 11 -8.012 -3.580 11.023 90 HG2 GLU 11 HG2 GLU 11 -6.719 -4.183 12.890 91 HG3 GLU 11 HG3 GLU 11 -5.943 -4.982 11.529 92 H HIS 12 H HIS 12 -4.635 -1.811 10.693 93 HA HIS 12 HA HIS 12 -4.416 0.335 8.728 94 HB2 HIS 12 HB2 HIS 12 -4.755 2.096 10.514 95 HB3 HIS 12 HB3 HIS 12 -6.209 1.194 10.096 96 HD1 HIS 12 HD1 HIS 12 -3.491 1.052 12.773 97 HD2 HIS 12 HD2 HIS 12 -7.538 0.278 12.291 98 HE1 HIS 12 HE1 HIS 12 -4.340 0.512 15.064 99 HE2 HIS 12 HE2 HIS 12 -6.735 -0.159 14.707 100 H VAL 13 H VAL 13 -2.418 1.276 8.671 101 HA VAL 13 HA VAL 13 -0.438 0.583 10.776 102 HB VAL 13 HB VAL 13 -0.009 0.547 7.755 103 HG11 VAL 13 HG11 VAL 13 2.354 -0.082 8.220 104 HG12 VAL 13 HG12 VAL 13 2.089 0.217 9.940 105 HG13 VAL 13 HG13 VAL 13 1.978 1.547 8.787 106 HG21 VAL 13 HG21 VAL 13 -1.102 -1.485 8.672 107 HG22 VAL 13 HG22 VAL 13 0.221 -1.689 9.822 108 HG23 VAL 13 HG23 VAL 13 0.527 -1.848 8.090 109 H PHE 14 H PHE 14 0.431 2.293 11.706 110 HA PHE 14 HA PHE 14 0.149 4.992 10.609 111 HB2 PHE 14 HB2 PHE 14 -0.444 4.516 12.999 112 HB3 PHE 14 HB3 PHE 14 1.228 4.072 13.315 113 HD1 PHE 14 HD1 PHE 14 -0.819 6.924 12.000 114 HD2 PHE 14 HD2 PHE 14 2.690 5.761 14.148 115 HE1 PHE 14 HE1 PHE 14 -0.340 9.279 12.494 116 HE2 PHE 14 HE2 PHE 14 3.155 8.129 14.643 117 HZ PHE 14 HZ PHE 14 1.645 9.886 13.814 118 H VAL 15 H VAL 15 1.820 6.212 9.861 119 HA VAL 15 HA VAL 15 4.616 5.251 9.986 120 HB VAL 15 HB VAL 15 3.187 6.216 7.456 121 HG11 VAL 15 HG11 VAL 15 6.088 5.344 7.774 122 HG12 VAL 15 HG12 VAL 15 5.522 6.982 7.440 123 HG13 VAL 15 HG13 VAL 15 5.289 5.711 6.240 124 HG21 VAL 15 HG21 VAL 15 3.584 3.924 6.586 125 HG22 VAL 15 HG22 VAL 15 2.549 3.913 8.010 126 HG23 VAL 15 HG23 VAL 15 4.245 3.446 8.150 127 H HIS 16 H HIS 16 6.141 6.868 10.206 128 HA HIS 16 HA HIS 16 5.272 9.691 10.372 129 HB2 HIS 16 HB2 HIS 16 7.862 8.343 11.263 130 HB3 HIS 16 HB3 HIS 16 7.509 10.061 11.449 131 HD1 HIS 16 HD1 HIS 16 6.881 6.745 12.976 132 HD2 HIS 16 HD2 HIS 16 5.521 10.647 13.422 133 HE1 HIS 16 HE1 HIS 16 5.678 6.788 15.169 134 HE2 HIS 16 HE2 HIS 16 5.002 9.187 15.491 135 H ALA 17 H ALA 17 6.100 11.264 8.993 136 HA ALA 17 HA ALA 17 8.252 10.625 7.109 137 HB1 ALA 17 HB1 ALA 17 6.947 11.263 5.134 138 HB2 ALA 17 HB2 ALA 17 5.510 11.489 6.138 139 HB3 ALA 17 HB3 ALA 17 6.210 9.883 5.952 140 H ILE 18 H ILE 18 8.998 12.421 5.933 141 HA ILE 18 HA ILE 18 8.356 15.175 6.735 142 HB ILE 18 HB ILE 18 11.178 13.955 6.892 143 HG12 ILE 18 HG12 ILE 18 9.503 15.140 9.160 144 HG13 ILE 18 HG13 ILE 18 9.752 13.422 8.884 145 HG21 ILE 18 HG21 ILE 18 11.324 16.248 6.016 146 HG22 ILE 18 HG22 ILE 18 12.010 16.157 7.637 147 HG23 ILE 18 HG23 ILE 18 10.407 16.854 7.398 148 HD11 ILE 18 HD11 ILE 18 11.143 14.217 10.680 149 HD12 ILE 18 HD12 ILE 18 11.874 15.428 9.629 150 HD13 ILE 18 HD13 ILE 18 12.148 13.711 9.322 151 H THR 19 H THR 19 9.325 16.713 5.021 152 HA THR 19 HA THR 19 9.136 15.918 2.343 153 HB THR 19 HB THR 19 10.409 18.018 1.757 154 HG1 THR 19 HG1 THR 19 11.669 18.881 3.213 155 HG21 THR 19 HG21 THR 19 8.820 19.625 2.743 156 HG22 THR 19 HG22 THR 19 8.307 18.416 3.920 157 HG23 THR 19 HG23 THR 19 7.977 18.169 2.204 158 H SER 20 H SER 20 11.869 15.674 4.496 159 HA SER 20 HA SER 20 13.899 15.068 2.534 160 HB2 SER 20 HB2 SER 20 14.451 16.127 4.705 161 HB3 SER 20 HB3 SER 20 13.879 14.700 5.565 162 HG SER 20 HG SER 20 15.660 13.655 5.051 163 H GLU 21 H GLU 21 11.388 13.172 3.887 164 HA GLU 21 HA GLU 21 12.880 10.651 3.991 165 HB2 GLU 21 HB2 GLU 21 9.997 11.248 4.767 166 HB3 GLU 21 HB3 GLU 21 10.810 9.698 4.997 167 HG2 GLU 21 HG2 GLU 21 11.468 12.333 6.343 168 HG3 GLU 21 HG3 GLU 21 10.755 10.906 7.088 169 H CYS 22 H CYS 22 12.059 8.722 3.072 170 HA CYS 22 HA CYS 22 10.388 8.963 0.635 171 HB2 CYS 22 HB2 CYS 22 11.739 7.065 -0.293 172 HB3 CYS 22 HB3 CYS 22 12.708 8.504 -0.006 173 HG CYS 22 HG CYS 22 12.883 6.699 2.693 174 H VAL 23 H VAL 23 8.441 8.078 1.103 175 HA VAL 23 HA VAL 23 8.208 5.919 3.107 176 HB VAL 23 HB VAL 23 6.076 7.751 1.917 177 HG11 VAL 23 HG11 VAL 23 5.047 5.583 2.466 178 HG12 VAL 23 HG12 VAL 23 4.516 6.814 3.611 179 HG13 VAL 23 HG13 VAL 23 5.742 5.636 4.088 180 HG21 VAL 23 HG21 VAL 23 7.619 8.893 3.453 181 HG22 VAL 23 HG22 VAL 23 7.313 7.678 4.698 182 HG23 VAL 23 HG23 VAL 23 6.015 8.756 4.176 183 H MET 24 H MET 24 7.999 3.890 2.453 184 HA MET 24 HA MET 24 6.893 3.260 -0.238 185 HB2 MET 24 HB2 MET 24 9.409 2.919 0.091 186 HB3 MET 24 HB3 MET 24 9.032 1.687 1.285 187 HG2 MET 24 HG2 MET 24 7.971 0.318 -0.444 188 HG3 MET 24 HG3 MET 24 8.255 1.586 -1.644 189 HE1 MET 24 HE1 MET 24 10.980 -0.909 -2.894 190 HE2 MET 24 HE2 MET 24 9.622 0.126 -3.337 191 HE3 MET 24 HE3 MET 24 9.351 -1.321 -2.366 192 H LEU 25 H LEU 25 4.800 2.976 0.532 193 HA LEU 25 HA LEU 25 4.156 1.136 2.714 194 HB2 LEU 25 HB2 LEU 25 2.375 2.734 0.832 195 HB3 LEU 25 HB3 LEU 25 1.785 1.763 2.177 196 HG LEU 25 HG LEU 25 3.561 4.224 2.414 197 HD11 LEU 25 HD11 LEU 25 1.604 5.304 3.429 198 HD12 LEU 25 HD12 LEU 25 0.634 3.862 3.119 199 HD13 LEU 25 HD13 LEU 25 1.274 4.804 1.771 200 HD21 LEU 25 HD21 LEU 25 4.076 2.617 4.188 201 HD22 LEU 25 HD22 LEU 25 2.364 2.478 4.599 202 HD23 LEU 25 HD23 LEU 25 3.216 4.004 4.850 203 H ALA 26 H ALA 26 2.757 -0.734 2.429 204 HA ALA 26 HA ALA 26 2.553 -1.840 -0.300 205 HB1 ALA 26 HB1 ALA 26 3.766 -3.366 2.029 206 HB2 ALA 26 HB2 ALA 26 4.654 -2.717 0.650 207 HB3 ALA 26 HB3 ALA 26 3.470 -4.002 0.407 208 H CYS 27 H CYS 27 0.747 -2.974 -0.685 209 HA CYS 27 HA CYS 27 -0.897 -4.048 1.526 210 HB2 CYS 27 HB2 CYS 27 -2.033 -2.043 0.641 211 HB3 CYS 27 HB3 CYS 27 -1.952 -2.690 -0.995 212 HG CYS 27 HG CYS 27 -4.504 -3.187 -0.535 213 H GLU 28 H GLU 28 -1.177 -6.174 1.315 214 HA GLU 28 HA GLU 28 -0.590 -7.503 -1.264 215 HB2 GLU 28 HB2 GLU 28 1.370 -7.597 0.275 216 HB3 GLU 28 HB3 GLU 28 0.368 -8.369 1.502 217 HG2 GLU 28 HG2 GLU 28 0.002 -10.283 -0.077 218 HG3 GLU 28 HG3 GLU 28 1.116 -9.517 -1.211 219 H VAL 29 H VAL 29 -2.094 -8.900 -1.866 220 HA VAL 29 HA VAL 29 -3.980 -10.092 0.097 221 HB VAL 29 HB VAL 29 -5.511 -10.480 -1.870 222 HG11 VAL 29 HG11 VAL 29 -5.864 -8.532 -0.412 223 HG12 VAL 29 HG12 VAL 29 -6.297 -8.143 -2.075 224 HG13 VAL 29 HG13 VAL 29 -4.771 -7.564 -1.403 225 HG21 VAL 29 HG21 VAL 29 -5.113 -9.287 -4.014 226 HG22 VAL 29 HG22 VAL 29 -3.834 -10.460 -3.697 227 HG23 VAL 29 HG23 VAL 29 -3.537 -8.742 -3.426 228 H ASP 30 H ASP 30 -4.609 -12.341 -0.323 229 HA ASP 30 HA ASP 30 -2.471 -14.001 -1.445 230 HB2 ASP 30 HB2 ASP 30 -3.612 -14.493 0.780 231 HB3 ASP 30 HB3 ASP 30 -5.076 -14.884 -0.115 232 H ARG 31 H ARG 31 -5.198 -12.460 -2.660 233 HA ARG 31 HA ARG 31 -5.818 -14.557 -4.667 234 HB2 ARG 31 HB2 ARG 31 -7.526 -13.746 -2.769 235 HB3 ARG 31 HB3 ARG 31 -7.789 -12.399 -3.854 236 HG2 ARG 31 HG2 ARG 31 -8.194 -15.309 -4.625 237 HG3 ARG 31 HG3 ARG 31 -9.467 -14.273 -3.985 238 HD2 ARG 31 HD2 ARG 31 -9.092 -12.731 -5.925 239 HD3 ARG 31 HD3 ARG 31 -7.974 -13.919 -6.604 240 HE ARG 31 HE ARG 31 -10.881 -14.105 -6.419 241 HH11 ARG 31 HH11 ARG 31 -7.977 -15.839 -7.170 242 HH12 ARG 31 HH12 ARG 31 -8.814 -16.998 -8.134 243 HH21 ARG 31 HH21 ARG 31 -11.903 -15.616 -7.621 244 HH22 ARG 31 HH22 ARG 31 -10.991 -16.873 -8.385 245 H GLU 32 H GLU 32 -4.289 -13.831 -6.158 246 HA GLU 32 HA GLU 32 -3.634 -11.206 -6.913 247 HB2 GLU 32 HB2 GLU 32 -2.079 -12.908 -7.470 248 HB3 GLU 32 HB3 GLU 32 -3.300 -13.916 -8.224 249 HG2 GLU 32 HG2 GLU 32 -1.744 -13.039 -9.882 250 HG3 GLU 32 HG3 GLU 32 -3.373 -12.436 -10.171 251 H ASP 33 H ASP 33 -5.980 -13.458 -8.355 252 HA ASP 33 HA ASP 33 -6.834 -12.212 -10.633 253 HB2 ASP 33 HB2 ASP 33 -7.559 -14.429 -9.863 254 HB3 ASP 33 HB3 ASP 33 -8.481 -13.706 -8.563 255 H ALA 34 H ALA 34 -7.555 -11.181 -7.353 256 HA ALA 34 HA ALA 34 -9.057 -8.817 -8.344 257 HB1 ALA 34 HB1 ALA 34 -9.028 -10.073 -5.575 258 HB2 ALA 34 HB2 ALA 34 -10.328 -10.206 -6.763 259 HB3 ALA 34 HB3 ALA 34 -9.952 -8.637 -6.049 260 HA PRO 35 HA PRO 35 -4.898 -7.109 -7.040 261 HB2 PRO 35 HB2 PRO 35 -4.698 -5.169 -8.938 262 HB3 PRO 35 HB3 PRO 35 -4.355 -6.865 -9.304 263 HG2 PRO 35 HG2 PRO 35 -6.876 -5.289 -9.825 264 HG3 PRO 35 HG3 PRO 35 -5.999 -6.385 -10.916 265 HD2 PRO 35 HD2 PRO 35 -8.212 -7.170 -9.507 266 HD3 PRO 35 HD3 PRO 35 -6.904 -8.293 -9.940 267 H VAL 36 H VAL 36 -4.411 -5.236 -5.798 268 HA VAL 36 HA VAL 36 -6.722 -3.796 -4.753 269 HB VAL 36 HB VAL 36 -5.410 -3.113 -2.914 270 HG11 VAL 36 HG11 VAL 36 -5.776 -5.545 -2.885 271 HG12 VAL 36 HG12 VAL 36 -4.258 -5.135 -2.088 272 HG13 VAL 36 HG13 VAL 36 -4.243 -5.805 -3.724 273 HG21 VAL 36 HG21 VAL 36 -2.902 -3.634 -4.542 274 HG22 VAL 36 HG22 VAL 36 -2.911 -3.185 -2.836 275 HG23 VAL 36 HG23 VAL 36 -3.532 -2.065 -4.047 276 H ARG 37 H ARG 37 -6.732 -1.461 -4.463 277 HA ARG 37 HA ARG 37 -5.265 0.124 -6.501 278 HB2 ARG 37 HB2 ARG 37 -8.235 0.263 -5.822 279 HB3 ARG 37 HB3 ARG 37 -7.397 1.479 -6.787 280 HG2 ARG 37 HG2 ARG 37 -6.938 -0.135 -8.535 281 HG3 ARG 37 HG3 ARG 37 -7.565 -1.454 -7.543 282 HD2 ARG 37 HD2 ARG 37 -9.236 0.895 -8.509 283 HD3 ARG 37 HD3 ARG 37 -9.148 -0.671 -9.328 284 HE ARG 37 HE ARG 37 -9.874 -1.482 -6.928 285 HH11 ARG 37 HH11 ARG 37 -11.129 1.263 -8.624 286 HH12 ARG 37 HH12 ARG 37 -12.707 1.059 -7.954 287 HH21 ARG 37 HH21 ARG 37 -11.890 -1.703 -6.109 288 HH22 ARG 37 HH22 ARG 37 -13.131 -0.590 -6.560 289 H TRP 38 H TRP 38 -4.291 1.889 -5.675 290 HA TRP 38 HA TRP 38 -4.605 2.583 -2.852 291 HB2 TRP 38 HB2 TRP 38 -2.647 3.509 -5.001 292 HB3 TRP 38 HB3 TRP 38 -2.626 4.110 -3.345 293 HD1 TRP 38 HD1 TRP 38 -1.775 0.946 -5.390 294 HE1 TRP 38 HE1 TRP 38 -0.340 -0.603 -3.913 295 HE3 TRP 38 HE3 TRP 38 -2.146 3.468 -0.949 296 HZ2 TRP 38 HZ2 TRP 38 0.512 -0.745 -1.232 297 HZ3 TRP 38 HZ3 TRP 38 -0.993 2.558 1.024 298 HH2 TRP 38 HH2 TRP 38 0.313 0.494 0.883 299 H TYR 39 H TYR 39 -5.329 4.534 -2.085 300 HA TYR 39 HA TYR 39 -6.247 6.666 -3.920 301 HB2 TYR 39 HB2 TYR 39 -7.893 5.461 -1.636 302 HB3 TYR 39 HB3 TYR 39 -8.331 6.932 -2.503 303 HD1 TYR 39 HD2 TYR 39 -9.032 6.805 -4.901 304 HD2 TYR 39 HD1 TYR 39 -8.286 3.261 -2.631 305 HE1 TYR 39 HE2 TYR 39 -10.166 5.464 -6.614 306 HE2 TYR 39 HE1 TYR 39 -9.414 1.929 -4.356 307 HH TYR 39 HH TYR 39 -10.179 3.149 -7.419 308 H LYS 40 H LYS 40 -5.863 8.728 -3.147 309 HA LYS 40 HA LYS 40 -5.345 9.325 -0.369 310 HB2 LYS 40 HB2 LYS 40 -3.194 8.204 -1.226 311 HB3 LYS 40 HB3 LYS 40 -2.961 9.602 -2.260 312 HG2 LYS 40 HG2 LYS 40 -3.281 10.024 0.715 313 HG3 LYS 40 HG3 LYS 40 -1.753 9.389 0.110 314 HD2 LYS 40 HD2 LYS 40 -3.020 11.979 -0.853 315 HD3 LYS 40 HD3 LYS 40 -1.803 11.887 0.422 316 HE2 LYS 40 HE2 LYS 40 -0.140 11.082 -1.116 317 HE3 LYS 40 HE3 LYS 40 -1.339 10.838 -2.395 318 HZ1 LYS 40 HZ1 LYS 40 -0.662 13.473 -1.231 319 HZ2 LYS 40 HZ2 LYS 40 -1.648 13.182 -2.563 320 HZ3 LYS 40 HZ3 LYS 40 0.007 12.866 -2.655 321 H ASP 41 H ASP 41 -5.594 11.506 0.048 322 HA ASP 41 HA ASP 41 -6.543 13.545 -0.168 323 HB2 ASP 41 HB2 ASP 41 -5.179 13.602 -2.889 324 HB3 ASP 41 HB3 ASP 41 -5.934 14.997 -2.125 325 H GLY 42 H GLY 42 -7.976 11.102 -1.214 326 HA2 GLY 42 HA2 GLY 42 -10.107 10.679 -2.042 327 HA3 GLY 42 HA3 GLY 42 -10.259 12.373 -2.476 328 H GLN 43 H GLN 43 -7.395 11.393 -3.804 329 HA GLN 43 HA GLN 43 -8.531 11.100 -6.491 330 HB2 GLN 43 HB2 GLN 43 -5.615 11.392 -5.624 331 HB3 GLN 43 HB3 GLN 43 -6.216 11.467 -7.281 332 HG2 GLN 43 HG2 GLN 43 -7.518 13.506 -6.672 333 HG3 GLN 43 HG3 GLN 43 -6.808 13.448 -5.059 334 HE21 GLN 43 HE21 GLN 43 -6.611 15.555 -7.091 335 HE22 GLN 43 HE22 GLN 43 -4.926 15.772 -7.388 336 H GLU 44 H GLU 44 -7.776 9.428 -7.954 337 HA GLU 44 HA GLU 44 -7.800 6.813 -6.811 338 HB2 GLU 44 HB2 GLU 44 -7.749 6.005 -9.131 339 HB3 GLU 44 HB3 GLU 44 -8.929 7.294 -8.931 340 HG2 GLU 44 HG2 GLU 44 -7.428 8.900 -10.003 341 HG3 GLU 44 HG3 GLU 44 -6.154 7.683 -10.102 342 H VAL 45 H VAL 45 -5.182 8.893 -7.259 343 HA VAL 45 HA VAL 45 -2.946 8.733 -7.203 344 HB VAL 45 HB VAL 45 -3.483 5.906 -6.207 345 HG11 VAL 45 HG11 VAL 45 -0.818 7.381 -6.215 346 HG12 VAL 45 HG12 VAL 45 -1.218 5.952 -7.168 347 HG13 VAL 45 HG13 VAL 45 -1.135 5.839 -5.413 348 HG21 VAL 45 HG21 VAL 45 -2.957 6.854 -3.982 349 HG22 VAL 45 HG22 VAL 45 -4.315 7.696 -4.726 350 HG23 VAL 45 HG23 VAL 45 -2.717 8.448 -4.707 351 H GLU 46 H GLU 46 -2.302 9.043 -9.231 352 HA GLU 46 HA GLU 46 -1.849 6.712 -11.018 353 HB2 GLU 46 HB2 GLU 46 -1.951 8.333 -12.912 354 HB3 GLU 46 HB3 GLU 46 -3.459 8.253 -12.006 355 HG2 GLU 46 HG2 GLU 46 -2.783 10.350 -10.798 356 HG3 GLU 46 HG3 GLU 46 -1.367 10.450 -11.841 357 H GLU 47 H GLU 47 0.130 6.744 -12.267 358 HA GLU 47 HA GLU 47 2.381 7.504 -10.638 359 HB2 GLU 47 HB2 GLU 47 2.273 6.072 -13.315 360 HB3 GLU 47 HB3 GLU 47 3.732 6.276 -12.342 361 HG2 GLU 47 HG2 GLU 47 2.561 5.022 -10.479 362 HG3 GLU 47 HG3 GLU 47 1.241 4.697 -11.602 363 H SER 48 H SER 48 3.406 9.327 -10.744 364 HA SER 48 HA SER 48 3.867 10.826 -13.215 365 HB2 SER 48 HB2 SER 48 1.736 11.685 -12.137 366 HB3 SER 48 HB3 SER 48 2.668 12.089 -10.696 367 HG SER 48 HG SER 48 2.911 13.932 -11.704 368 H ASP 49 H ASP 49 4.991 13.104 -11.749 369 HA ASP 49 HA ASP 49 7.660 12.368 -11.483 370 HB2 ASP 49 HB2 ASP 49 6.247 14.770 -10.244 371 HB3 ASP 49 HB3 ASP 49 7.986 14.629 -10.506 372 H PHE 50 H PHE 50 5.429 13.203 -8.801 373 HA PHE 50 HA PHE 50 7.399 12.404 -6.796 374 HB2 PHE 50 HB2 PHE 50 4.636 13.658 -6.483 375 HB3 PHE 50 HB3 PHE 50 5.777 13.384 -5.167 376 HD1 PHE 50 HD1 PHE 50 7.877 14.721 -5.024 377 HD2 PHE 50 HD2 PHE 50 4.949 15.519 -8.034 378 HE1 PHE 50 HE1 PHE 50 8.934 16.895 -5.489 379 HE2 PHE 50 HE2 PHE 50 6.010 17.693 -8.487 380 HZ PHE 50 HZ PHE 50 8.008 18.379 -7.218 381 H VAL 51 H VAL 51 4.767 10.869 -8.370 382 HA VAL 51 HA VAL 51 4.440 8.898 -6.156 383 HB VAL 51 HB VAL 51 2.289 9.587 -8.212 384 HG11 VAL 51 HG11 VAL 51 0.769 8.333 -6.723 385 HG12 VAL 51 HG12 VAL 51 2.115 7.966 -5.641 386 HG13 VAL 51 HG13 VAL 51 2.100 7.316 -7.281 387 HG21 VAL 51 HG21 VAL 51 2.483 10.586 -5.345 388 HG22 VAL 51 HG22 VAL 51 1.109 10.829 -6.427 389 HG23 VAL 51 HG23 VAL 51 2.669 11.562 -6.805 390 H VAL 52 H VAL 52 5.220 6.899 -6.716 391 HA VAL 52 HA VAL 52 4.697 5.865 -9.441 392 HB VAL 52 HB VAL 52 6.934 4.649 -9.398 393 HG11 VAL 52 HG11 VAL 52 8.254 6.571 -10.223 394 HG12 VAL 52 HG12 VAL 52 7.081 7.686 -9.521 395 HG13 VAL 52 HG13 VAL 52 6.598 6.614 -10.836 396 HG21 VAL 52 HG21 VAL 52 8.762 5.542 -7.973 397 HG22 VAL 52 HG22 VAL 52 7.469 4.850 -6.995 398 HG23 VAL 52 HG23 VAL 52 7.610 6.602 -7.151 399 H LEU 53 H LEU 53 4.143 3.710 -9.544 400 HA LEU 53 HA LEU 53 3.677 2.291 -6.975 401 HB2 LEU 53 HB2 LEU 53 2.139 2.073 -9.604 402 HB3 LEU 53 HB3 LEU 53 1.795 1.147 -8.149 403 HG LEU 53 HG LEU 53 1.519 4.173 -8.416 404 HD11 LEU 53 HD11 LEU 53 -0.210 3.000 -9.690 405 HD12 LEU 53 HD12 LEU 53 -0.902 3.810 -8.288 406 HD13 LEU 53 HD13 LEU 53 -0.657 2.060 -8.262 407 HD21 LEU 53 HD21 LEU 53 0.820 2.372 -6.067 408 HD22 LEU 53 HD22 LEU 53 0.444 4.093 -6.195 409 HD23 LEU 53 HD23 LEU 53 2.121 3.566 -6.128 410 H GLU 54 H GLU 54 4.464 0.234 -6.739 411 HA GLU 54 HA GLU 54 5.660 -1.144 -9.081 412 HB2 GLU 54 HB2 GLU 54 6.738 -1.026 -6.234 413 HB3 GLU 54 HB3 GLU 54 7.311 -2.170 -7.446 414 HG2 GLU 54 HG2 GLU 54 7.909 -0.161 -8.895 415 HG3 GLU 54 HG3 GLU 54 7.572 0.849 -7.487 416 H ASN 55 H ASN 55 5.515 -3.411 -9.138 417 HA ASN 55 HA ASN 55 3.586 -4.726 -7.335 418 HB2 ASN 55 HB2 ASN 55 2.499 -5.736 -9.454 419 HB3 ASN 55 HB3 ASN 55 2.144 -4.048 -9.098 420 HD21 ASN 55 HD21 ASN 55 3.966 -6.192 -11.220 421 HD22 ASN 55 HD22 ASN 55 4.213 -5.033 -12.471 422 H GLU 56 H GLU 56 4.493 -6.532 -6.576 423 HA GLU 56 HA GLU 56 6.151 -8.261 -8.329 424 HB2 GLU 56 HB2 GLU 56 7.411 -7.231 -6.420 425 HB3 GLU 56 HB3 GLU 56 6.305 -7.997 -5.292 426 HG2 GLU 56 HG2 GLU 56 8.401 -9.232 -5.413 427 HG3 GLU 56 HG3 GLU 56 7.070 -10.217 -6.023 428 H GLY 57 H GLY 57 4.274 -9.341 -9.083 429 HA2 GLY 57 HA2 GLY 57 2.510 -10.805 -9.105 430 HA3 GLY 57 HA3 GLY 57 3.153 -11.485 -7.618 431 HA PRO 58 HA PRO 58 -0.763 -9.593 -6.041 432 HB2 PRO 58 HB2 PRO 58 -0.924 -11.012 -3.726 433 HB3 PRO 58 HB3 PRO 58 -1.349 -11.721 -5.291 434 HG2 PRO 58 HG2 PRO 58 1.238 -11.952 -3.743 435 HG3 PRO 58 HG3 PRO 58 0.284 -13.240 -4.516 436 HD2 PRO 58 HD2 PRO 58 2.473 -12.145 -5.713 437 HD3 PRO 58 HD3 PRO 58 1.079 -12.723 -6.650 438 H HIS 59 H HIS 59 2.438 -9.200 -5.040 439 HA HIS 59 HA HIS 59 1.974 -7.601 -2.634 440 HB2 HIS 59 HB2 HIS 59 4.524 -7.889 -4.288 441 HB3 HIS 59 HB3 HIS 59 4.406 -7.205 -2.675 442 HD1 HIS 59 HD1 HIS 59 6.234 -8.908 -1.981 443 HD2 HIS 59 HD2 HIS 59 2.657 -10.656 -3.137 444 HE1 HIS 59 HE1 HIS 59 6.390 -11.292 -1.243 445 HE2 HIS 59 HE2 HIS 59 4.134 -12.256 -1.753 446 H ARG 60 H ARG 60 0.844 -5.703 -3.131 447 HA ARG 60 HA ARG 60 1.703 -4.072 -5.471 448 HB2 ARG 60 HB2 ARG 60 -0.980 -4.093 -4.050 449 HB3 ARG 60 HB3 ARG 60 -0.582 -3.175 -5.502 450 HG2 ARG 60 HG2 ARG 60 -0.641 -6.208 -5.298 451 HG3 ARG 60 HG3 ARG 60 -1.941 -5.203 -5.953 452 HD2 ARG 60 HD2 ARG 60 -0.559 -4.481 -7.789 453 HD3 ARG 60 HD3 ARG 60 0.879 -5.215 -7.072 454 HE ARG 60 HE ARG 60 -0.458 -7.391 -7.356 455 HH11 ARG 60 HH11 ARG 60 -0.738 -4.765 -9.599 456 HH12 ARG 60 HH12 ARG 60 -0.869 -5.829 -10.952 457 HH21 ARG 60 HH21 ARG 60 -0.586 -8.695 -9.086 458 HH22 ARG 60 HH22 ARG 60 -0.768 -8.013 -10.662 459 H ARG 61 H ARG 61 3.007 -2.469 -4.797 460 HA ARG 61 HA ARG 61 2.505 -1.155 -2.183 461 HB2 ARG 61 HB2 ARG 61 4.998 -0.855 -2.038 462 HB3 ARG 61 HB3 ARG 61 4.445 -2.521 -1.933 463 HG2 ARG 61 HG2 ARG 61 5.157 -2.970 -4.203 464 HG3 ARG 61 HG3 ARG 61 5.556 -1.268 -4.458 465 HD2 ARG 61 HD2 ARG 61 7.564 -2.668 -4.026 466 HD3 ARG 61 HD3 ARG 61 7.358 -1.385 -2.835 467 HE ARG 61 HE ARG 61 6.196 -3.445 -1.585 468 HH11 ARG 61 HH11 ARG 61 9.229 -3.381 -3.262 469 HH12 ARG 61 HH12 ARG 61 9.969 -4.474 -2.149 470 HH21 ARG 61 HH21 ARG 61 7.187 -4.847 -0.185 471 HH22 ARG 61 HH22 ARG 61 8.843 -5.272 -0.436 472 H LEU 62 H LEU 62 2.730 1.003 -1.985 473 HA LEU 62 HA LEU 62 3.089 2.664 -4.396 474 HB2 LEU 62 HB2 LEU 62 1.040 2.909 -2.926 475 HB3 LEU 62 HB3 LEU 62 2.074 3.506 -1.646 476 HG LEU 62 HG LEU 62 1.988 4.923 -4.342 477 HD11 LEU 62 HD11 LEU 62 0.027 5.402 -2.077 478 HD12 LEU 62 HD12 LEU 62 -0.348 4.737 -3.667 479 HD13 LEU 62 HD13 LEU 62 0.202 6.404 -3.523 480 HD21 LEU 62 HD21 LEU 62 3.761 5.649 -2.790 481 HD22 LEU 62 HD22 LEU 62 2.555 5.997 -1.550 482 HD23 LEU 62 HD23 LEU 62 2.580 6.930 -3.048 483 H VAL 63 H VAL 63 5.005 3.582 -4.711 484 HA VAL 63 HA VAL 63 6.931 3.924 -2.488 485 HB VAL 63 HB VAL 63 7.484 3.841 -5.493 486 HG11 VAL 63 HG11 VAL 63 9.207 5.094 -4.274 487 HG12 VAL 63 HG12 VAL 63 9.863 3.567 -4.861 488 HG13 VAL 63 HG13 VAL 63 9.437 3.744 -3.156 489 HG21 VAL 63 HG21 VAL 63 7.848 1.607 -3.453 490 HG22 VAL 63 HG22 VAL 63 8.337 1.549 -5.147 491 HG23 VAL 63 HG23 VAL 63 6.629 1.662 -4.731 492 H LEU 64 H LEU 64 7.353 5.950 -1.841 493 HA LEU 64 HA LEU 64 6.759 8.258 -3.609 494 HB2 LEU 64 HB2 LEU 64 5.426 7.722 -1.282 495 HB3 LEU 64 HB3 LEU 64 6.750 8.656 -0.627 496 HG LEU 64 HG LEU 64 4.911 10.159 -0.962 497 HD11 LEU 64 HD11 LEU 64 6.863 10.630 -3.232 498 HD12 LEU 64 HD12 LEU 64 7.076 11.118 -1.549 499 HD13 LEU 64 HD13 LEU 64 5.784 11.832 -2.508 500 HD21 LEU 64 HD21 LEU 64 4.704 9.176 -3.828 501 HD22 LEU 64 HD22 LEU 64 3.734 10.458 -3.097 502 HD23 LEU 64 HD23 LEU 64 3.586 8.804 -2.513 503 HA PRO 65 HA PRO 65 11.327 8.685 -3.223 504 HB2 PRO 65 HB2 PRO 65 10.724 11.124 -4.875 505 HB3 PRO 65 HB3 PRO 65 11.925 9.852 -5.143 506 HG2 PRO 65 HG2 PRO 65 9.701 9.913 -6.611 507 HG3 PRO 65 HG3 PRO 65 10.336 8.363 -6.021 508 HD2 PRO 65 HD2 PRO 65 8.047 9.999 -4.944 509 HD3 PRO 65 HD3 PRO 65 8.153 8.241 -5.196 510 H ALA 66 H ALA 66 9.790 11.970 -3.367 511 HA ALA 66 HA ALA 66 10.951 12.588 -0.691 512 HB1 ALA 66 HB1 ALA 66 11.051 14.945 -1.363 513 HB2 ALA 66 HB2 ALA 66 10.361 14.548 -2.941 514 HB3 ALA 66 HB3 ALA 66 11.957 13.941 -2.498 515 H THR 67 H THR 67 9.314 12.248 0.719 516 HA THR 67 HA THR 67 6.536 12.538 -0.034 517 HB THR 67 HB THR 67 7.608 11.810 2.729 518 HG1 THR 67 HG1 THR 67 7.628 10.392 0.341 519 HG21 THR 67 HG21 THR 67 5.168 12.303 2.634 520 HG22 THR 67 HG22 THR 67 5.464 10.595 2.952 521 HG23 THR 67 HG23 THR 67 4.980 11.119 1.338 522 H GLN 68 H GLN 68 6.258 14.731 -0.382 523 HA GLN 68 HA GLN 68 6.772 16.786 1.593 524 HB2 GLN 68 HB2 GLN 68 5.095 16.846 -0.961 525 HB3 GLN 68 HB3 GLN 68 5.673 18.259 -0.079 526 HG2 GLN 68 HG2 GLN 68 7.969 17.765 -0.665 527 HG3 GLN 68 HG3 GLN 68 7.512 16.211 -1.359 528 HE21 GLN 68 HE21 GLN 68 8.924 18.454 -2.608 529 HE22 GLN 68 HE22 GLN 68 7.993 18.885 -3.993 530 HA PRO 69 HA PRO 69 3.023 16.791 4.107 531 HB2 PRO 69 HB2 PRO 69 1.916 19.362 3.659 532 HB3 PRO 69 HB3 PRO 69 3.129 18.943 4.873 533 HG2 PRO 69 HG2 PRO 69 3.517 20.093 2.116 534 HG3 PRO 69 HG3 PRO 69 4.353 20.503 3.629 535 HD2 PRO 69 HD2 PRO 69 5.566 18.979 1.817 536 HD3 PRO 69 HD3 PRO 69 5.709 18.571 3.542 537 H SER 70 H SER 70 2.522 17.851 0.754 538 HA SER 70 HA SER 70 -0.272 17.333 0.549 539 HB2 SER 70 HB2 SER 70 1.869 17.297 -1.622 540 HB3 SER 70 HB3 SER 70 0.129 17.324 -1.917 541 HG SER 70 HG SER 70 0.752 19.411 -2.025 542 H ASP 71 H ASP 71 2.615 15.323 -0.052 543 HA ASP 71 HA ASP 71 1.265 13.005 -1.013 544 HB2 ASP 71 HB2 ASP 71 4.049 13.244 0.195 545 HB3 ASP 71 HB3 ASP 71 3.446 11.869 -0.729 546 H GLY 72 H GLY 72 1.789 14.187 2.194 547 HA2 GLY 72 HA2 GLY 72 1.434 11.651 3.578 548 HA3 GLY 72 HA3 GLY 72 1.515 13.248 4.302 549 H GLY 73 H GLY 73 -0.230 11.941 5.555 550 HA2 GLY 73 HA2 GLY 73 -2.443 12.727 6.187 551 HA3 GLY 73 HA3 GLY 73 -2.908 12.697 4.495 552 H GLU 74 H GLU 74 -3.926 10.874 3.758 553 HA GLU 74 HA GLU 74 -3.793 8.364 5.326 554 HB2 GLU 74 HB2 GLU 74 -6.349 9.714 4.354 555 HB3 GLU 74 HB3 GLU 74 -6.277 8.075 5.000 556 HG2 GLU 74 HG2 GLU 74 -5.465 9.006 7.168 557 HG3 GLU 74 HG3 GLU 74 -5.642 10.633 6.511 558 H PHE 75 H PHE 75 -3.283 6.703 4.051 559 HA PHE 75 HA PHE 75 -3.986 6.679 1.174 560 HB2 PHE 75 HB2 PHE 75 -1.963 4.999 2.729 561 HB3 PHE 75 HB3 PHE 75 -2.334 4.783 1.024 562 HD1 PHE 75 HD2 PHE 75 -1.102 7.393 3.437 563 HD2 PHE 75 HD1 PHE 75 -1.038 5.910 -0.573 564 HE1 PHE 75 HE2 PHE 75 0.660 9.011 2.856 565 HE2 PHE 75 HE1 PHE 75 0.720 7.532 -1.138 566 HZ PHE 75 HZ PHE 75 1.570 9.079 0.569 567 H GLN 76 H GLN 76 -5.811 5.618 0.757 568 HA GLN 76 HA GLN 76 -6.717 3.349 2.426 569 HB2 GLN 76 HB2 GLN 76 -8.098 5.637 1.907 570 HB3 GLN 76 HB3 GLN 76 -8.561 4.739 0.471 571 HG2 GLN 76 HG2 GLN 76 -9.042 3.952 3.361 572 HG3 GLN 76 HG3 GLN 76 -10.247 4.507 2.202 573 HE21 GLN 76 HE21 GLN 76 -10.862 3.074 0.500 574 HE22 GLN 76 HE22 GLN 76 -10.607 1.378 0.647 575 H CYS 77 H CYS 77 -6.828 1.320 1.444 576 HA CYS 77 HA CYS 77 -6.160 1.179 -1.456 577 HB2 CYS 77 HB2 CYS 77 -4.139 0.873 0.001 578 HB3 CYS 77 HB3 CYS 77 -4.896 -0.559 0.695 579 HG CYS 77 HG CYS 77 -3.331 -0.167 -2.222 580 H VAL 78 H VAL 78 -7.984 0.340 -2.359 581 HA VAL 78 HA VAL 78 -9.684 -1.575 -0.953 582 HB VAL 78 HB VAL 78 -10.051 -0.376 -3.734 583 HG11 VAL 78 HG11 VAL 78 -12.080 -1.755 -1.928 584 HG12 VAL 78 HG12 VAL 78 -11.404 -2.402 -3.424 585 HG13 VAL 78 HG13 VAL 78 -12.443 -0.977 -3.472 586 HG21 VAL 78 HG21 VAL 78 -9.931 1.408 -2.062 587 HG22 VAL 78 HG22 VAL 78 -11.162 0.611 -1.079 588 HG23 VAL 78 HG23 VAL 78 -11.579 1.253 -2.670 589 H ALA 79 H ALA 79 -9.293 -3.733 -1.094 590 HA ALA 79 HA ALA 79 -7.852 -4.971 -3.293 591 HB1 ALA 79 HB1 ALA 79 -9.260 -6.232 -0.921 592 HB2 ALA 79 HB2 ALA 79 -7.557 -5.780 -0.993 593 HB3 ALA 79 HB3 ALA 79 -8.170 -7.059 -2.041 594 H GLY 80 H GLY 80 -11.177 -5.148 -2.003 595 HA2 GLY 80 HA2 GLY 80 -12.619 -5.134 -4.347 596 HA3 GLY 80 HA3 GLY 80 -12.211 -6.828 -4.107 597 H ASP 81 H ASP 81 -12.631 -7.577 -1.725 598 HA ASP 81 HA ASP 81 -15.392 -6.985 -1.003 599 HB2 ASP 81 HB2 ASP 81 -13.363 -8.994 0.060 600 HB3 ASP 81 HB3 ASP 81 -14.981 -8.817 0.741 601 H GLU 82 H GLU 82 -12.158 -6.392 0.235 602 HA GLU 82 HA GLU 82 -13.197 -4.572 2.318 603 HB2 GLU 82 HB2 GLU 82 -11.587 -5.397 3.974 604 HB3 GLU 82 HB3 GLU 82 -12.631 -6.709 3.455 605 HG2 GLU 82 HG2 GLU 82 -9.783 -6.262 2.494 606 HG3 GLU 82 HG3 GLU 82 -10.261 -7.386 3.763 607 H CYS 83 H CYS 83 -10.968 -3.550 3.367 608 HA CYS 83 HA CYS 83 -9.129 -2.665 1.289 609 HB2 CYS 83 HB2 CYS 83 -9.758 -0.284 1.488 610 HB3 CYS 83 HB3 CYS 83 -11.094 -1.252 0.878 611 HG CYS 83 HG CYS 83 -11.462 0.941 3.004 612 H ALA 84 H ALA 84 -7.217 -1.884 2.087 613 HA ALA 84 HA ALA 84 -6.722 -2.048 4.980 614 HB1 ALA 84 HB1 ALA 84 -4.767 -1.931 2.655 615 HB2 ALA 84 HB2 ALA 84 -5.295 -3.394 3.487 616 HB3 ALA 84 HB3 ALA 84 -4.341 -2.186 4.350 617 H TYR 85 H TYR 85 -6.005 -0.324 6.196 618 HA TYR 85 HA TYR 85 -6.162 2.370 4.959 619 HB2 TYR 85 HB2 TYR 85 -6.515 1.684 7.910 620 HB3 TYR 85 HB3 TYR 85 -6.931 3.196 7.105 621 HD1 TYR 85 HD2 TYR 85 -8.843 3.121 5.335 622 HD2 TYR 85 HD1 TYR 85 -8.145 -0.048 8.120 623 HE1 TYR 85 HE2 TYR 85 -11.117 2.265 4.942 624 HE2 TYR 85 HE1 TYR 85 -10.412 -0.899 7.719 625 HH TYR 85 HH TYR 85 -12.372 0.188 5.148 626 H PHE 86 H PHE 86 -4.536 3.864 5.296 627 HA PHE 86 HA PHE 86 -2.250 3.227 7.077 628 HB2 PHE 86 HB2 PHE 86 -2.004 4.312 4.229 629 HB3 PHE 86 HB3 PHE 86 -0.670 4.123 5.361 630 HD1 PHE 86 HD1 PHE 86 -3.070 2.307 3.190 631 HD2 PHE 86 HD2 PHE 86 0.337 1.939 5.755 632 HE1 PHE 86 HE1 PHE 86 -2.693 0.018 2.370 633 HE2 PHE 86 HE2 PHE 86 0.707 -0.347 4.920 634 HZ PHE 86 HZ PHE 86 -0.808 -1.307 3.232 635 H THR 87 H THR 87 -1.493 4.976 8.223 636 HA THR 87 HA THR 87 -2.629 7.671 7.664 637 HB THR 87 HB THR 87 -2.176 6.404 10.409 638 HG1 THR 87 HG1 THR 87 -4.130 5.833 9.073 639 HG21 THR 87 HG21 THR 87 -1.703 8.825 10.479 640 HG22 THR 87 HG22 THR 87 -3.205 8.459 11.328 641 HG23 THR 87 HG23 THR 87 -3.261 9.157 9.708 642 H VAL 88 H VAL 88 -0.928 8.767 6.846 643 HA VAL 88 HA VAL 88 1.774 8.475 8.022 644 HB VAL 88 HB VAL 88 0.949 9.630 5.316 645 HG11 VAL 88 HG11 VAL 88 3.746 9.170 6.430 646 HG12 VAL 88 HG12 VAL 88 2.991 10.734 6.119 647 HG13 VAL 88 HG13 VAL 88 3.373 9.659 4.775 648 HG21 VAL 88 HG21 VAL 88 2.313 6.983 5.968 649 HG22 VAL 88 HG22 VAL 88 1.982 7.598 4.348 650 HG23 VAL 88 HG23 VAL 88 0.645 7.184 5.419 651 H THR 89 H THR 89 2.469 10.058 9.322 652 HA THR 89 HA THR 89 1.130 12.699 9.377 653 HB THR 89 HB THR 89 2.702 11.209 11.524 654 HG1 THR 89 HG1 THR 89 0.582 11.360 12.570 655 HG21 THR 89 HG21 THR 89 1.428 13.970 11.708 656 HG22 THR 89 HG22 THR 89 3.155 13.618 11.788 657 HG23 THR 89 HG23 THR 89 2.079 13.057 13.069 658 H ILE 90 H ILE 90 2.229 14.408 8.614 659 HA ILE 90 HA ILE 90 5.207 14.432 8.602 660 HB ILE 90 HB ILE 90 3.358 15.804 6.585 661 HG12 ILE 90 HG12 ILE 90 5.045 13.271 6.301 662 HG13 ILE 90 HG13 ILE 90 3.290 13.373 6.249 663 HG21 ILE 90 HG21 ILE 90 6.398 15.581 6.573 664 HG22 ILE 90 HG22 ILE 90 5.469 17.044 6.909 665 HG23 ILE 90 HG23 ILE 90 5.413 16.314 5.306 666 HD11 ILE 90 HD11 ILE 90 4.176 13.049 4.055 667 HD12 ILE 90 HD12 ILE 90 5.222 14.458 4.212 668 HD13 ILE 90 HD13 ILE 90 3.467 14.659 4.156 Start of MODEL 19 1 H HIS 1 H1 HIS 1 -12.833 -20.123 -6.348 2 HA HIS 1 HA HIS 1 -12.379 -17.548 -7.752 3 HB2 HIS 1 HB2 HIS 1 -14.976 -19.050 -7.180 4 HB3 HIS 1 HB3 HIS 1 -14.873 -17.450 -7.909 5 HD1 HIS 1 HD1 HIS 1 -14.007 -17.334 -10.394 6 HD2 HIS 1 HD2 HIS 1 -14.549 -21.193 -8.932 7 HE1 HIS 1 HE1 HIS 1 -14.012 -18.827 -12.412 8 HE2 HIS 1 HE2 HIS 1 -14.432 -21.134 -11.512 9 H MET 2 H MET 2 -11.530 -18.352 -5.005 10 HA MET 2 HA MET 2 -13.399 -17.490 -3.053 11 HB2 MET 2 HB2 MET 2 -11.631 -17.769 -1.436 12 HB3 MET 2 HB3 MET 2 -11.472 -19.055 -2.625 13 HG2 MET 2 HG2 MET 2 -9.755 -16.563 -2.416 14 HG3 MET 2 HG3 MET 2 -9.286 -18.206 -2.000 15 HE1 MET 2 HE1 MET 2 -7.095 -17.494 -5.178 16 HE2 MET 2 HE2 MET 2 -7.085 -18.099 -3.522 17 HE3 MET 2 HE3 MET 2 -7.480 -16.406 -3.847 18 HA PRO 3 HA PRO 3 -12.919 -13.006 -3.271 19 HB2 PRO 3 HB2 PRO 3 -13.666 -12.906 -0.380 20 HB3 PRO 3 HB3 PRO 3 -14.502 -12.219 -1.778 21 HG2 PRO 3 HG2 PRO 3 -15.491 -14.364 -0.486 22 HG3 PRO 3 HG3 PRO 3 -15.630 -14.211 -2.251 23 HD2 PRO 3 HD2 PRO 3 -13.651 -15.833 -0.640 24 HD3 PRO 3 HD3 PRO 3 -14.587 -16.306 -2.079 25 H VAL 4 H VAL 4 -11.334 -11.501 -2.868 26 HA VAL 4 HA VAL 4 -8.905 -12.406 -1.584 27 HB VAL 4 HB VAL 4 -8.732 -11.229 -3.704 28 HG11 VAL 4 HG11 VAL 4 -9.943 -8.785 -2.348 29 HG12 VAL 4 HG12 VAL 4 -10.718 -9.785 -3.577 30 HG13 VAL 4 HG13 VAL 4 -9.289 -8.839 -3.989 31 HG21 VAL 4 HG21 VAL 4 -6.988 -9.566 -3.129 32 HG22 VAL 4 HG22 VAL 4 -6.836 -11.014 -2.135 33 HG23 VAL 4 HG23 VAL 4 -7.542 -9.547 -1.454 34 H HIS 5 H HIS 5 -8.112 -11.856 0.376 35 HA HIS 5 HA HIS 5 -9.114 -9.442 1.750 36 HB2 HIS 5 HB2 HIS 5 -8.739 -10.622 3.940 37 HB3 HIS 5 HB3 HIS 5 -10.041 -11.293 2.973 38 HD1 HIS 5 HD1 HIS 5 -9.900 -13.745 2.374 39 HD2 HIS 5 HD2 HIS 5 -6.383 -12.313 4.075 40 HE1 HIS 5 HE1 HIS 5 -8.508 -15.775 2.849 41 HE2 HIS 5 HE2 HIS 5 -6.436 -14.898 3.961 42 H ILE 6 H ILE 6 -7.618 -8.164 2.863 43 HA ILE 6 HA ILE 6 -4.923 -8.263 1.788 44 HB ILE 6 HB ILE 6 -6.419 -6.240 3.496 45 HG12 ILE 6 HG12 ILE 6 -5.809 -4.680 1.620 46 HG13 ILE 6 HG13 ILE 6 -4.928 -5.978 0.826 47 HG21 ILE 6 HG21 ILE 6 -3.419 -6.146 2.985 48 HG22 ILE 6 HG22 ILE 6 -4.212 -6.317 4.551 49 HG23 ILE 6 HG23 ILE 6 -4.380 -4.816 3.643 50 HD11 ILE 6 HD11 ILE 6 -7.031 -7.180 0.477 51 HD12 ILE 6 HD12 ILE 6 -7.068 -5.564 -0.225 52 HD13 ILE 6 HD13 ILE 6 -7.908 -5.881 1.292 53 H VAL 7 H VAL 7 -3.646 -9.796 2.590 54 HA VAL 7 HA VAL 7 -3.589 -10.651 5.346 55 HB VAL 7 HB VAL 7 -1.659 -12.086 4.648 56 HG11 VAL 7 HG11 VAL 7 -4.056 -12.234 2.777 57 HG12 VAL 7 HG12 VAL 7 -3.957 -12.926 4.397 58 HG13 VAL 7 HG13 VAL 7 -2.927 -13.551 3.109 59 HG21 VAL 7 HG21 VAL 7 -2.004 -10.838 1.878 60 HG22 VAL 7 HG22 VAL 7 -0.927 -12.178 2.284 61 HG23 VAL 7 HG23 VAL 7 -0.628 -10.575 2.957 62 H ASP 8 H ASP 8 -1.811 -8.348 3.412 63 HA ASP 8 HA ASP 8 -0.356 -7.392 5.767 64 HB2 ASP 8 HB2 ASP 8 1.165 -8.989 4.588 65 HB3 ASP 8 HB3 ASP 8 1.007 -8.036 3.114 66 HA PRO 9 HA PRO 9 -0.160 -5.714 6.740 67 HB2 PRO 9 HB2 PRO 9 -0.982 -3.365 7.741 68 HB3 PRO 9 HB3 PRO 9 0.481 -3.466 6.752 69 HG2 PRO 9 HG2 PRO 9 -2.268 -2.517 5.986 70 HG3 PRO 9 HG3 PRO 9 -0.684 -1.848 5.540 71 HD2 PRO 9 HD2 PRO 9 -2.221 -3.583 3.943 72 HD3 PRO 9 HD3 PRO 9 -0.488 -3.267 3.732 73 H ARG 10 H ARG 10 -1.422 -7.066 7.841 74 HA ARG 10 HA ARG 10 -4.233 -7.335 7.730 75 HB2 ARG 10 HB2 ARG 10 -2.749 -9.177 8.264 76 HB3 ARG 10 HB3 ARG 10 -2.133 -8.348 9.682 77 HG2 ARG 10 HG2 ARG 10 -5.064 -8.980 9.594 78 HG3 ARG 10 HG3 ARG 10 -3.940 -10.318 9.823 79 HD2 ARG 10 HD2 ARG 10 -4.212 -7.859 11.591 80 HD3 ARG 10 HD3 ARG 10 -4.690 -9.513 11.987 81 HE ARG 10 HE ARG 10 -1.916 -9.345 11.314 82 HH11 ARG 10 HH11 ARG 10 -4.070 -8.872 13.978 83 HH12 ARG 10 HH12 ARG 10 -2.798 -8.989 15.139 84 HH21 ARG 10 HH21 ARG 10 -0.328 -9.454 12.814 85 HH22 ARG 10 HH22 ARG 10 -0.721 -9.320 14.493 86 H GLU 11 H GLU 11 -2.188 -5.312 9.617 87 HA GLU 11 HA GLU 11 -4.419 -4.235 11.242 88 HB2 GLU 11 HB2 GLU 11 -2.699 -3.347 12.776 89 HB3 GLU 11 HB3 GLU 11 -2.543 -5.090 12.616 90 HG2 GLU 11 HG2 GLU 11 -0.797 -3.166 11.040 91 HG3 GLU 11 HG3 GLU 11 -0.386 -3.673 12.676 92 H HIS 12 H HIS 12 -4.528 -1.856 11.428 93 HA HIS 12 HA HIS 12 -3.796 -0.494 8.937 94 HB2 HIS 12 HB2 HIS 12 -5.122 1.450 9.882 95 HB3 HIS 12 HB3 HIS 12 -6.035 -0.030 9.660 96 HD1 HIS 12 HD1 HIS 12 -4.785 2.291 12.296 97 HD2 HIS 12 HD2 HIS 12 -6.998 -1.213 12.036 98 HE1 HIS 12 HE1 HIS 12 -5.820 1.981 14.554 99 HE2 HIS 12 HE2 HIS 12 -6.971 -0.243 14.432 100 H VAL 13 H VAL 13 -1.826 0.320 8.736 101 HA VAL 13 HA VAL 13 -0.124 0.743 11.080 102 HB VAL 13 HB VAL 13 0.582 0.741 8.106 103 HG11 VAL 13 HG11 VAL 13 2.462 0.695 10.507 104 HG12 VAL 13 HG12 VAL 13 2.255 2.032 9.375 105 HG13 VAL 13 HG13 VAL 13 2.948 0.509 8.820 106 HG21 VAL 13 HG21 VAL 13 -0.264 -1.446 8.885 107 HG22 VAL 13 HG22 VAL 13 0.929 -1.461 10.186 108 HG23 VAL 13 HG23 VAL 13 1.456 -1.534 8.503 109 H PHE 14 H PHE 14 0.205 2.705 11.953 110 HA PHE 14 HA PHE 14 -0.171 5.203 10.525 111 HB2 PHE 14 HB2 PHE 14 -0.710 5.190 12.903 112 HB3 PHE 14 HB3 PHE 14 0.895 4.596 13.316 113 HD1 PHE 14 HD1 PHE 14 -0.869 7.535 11.800 114 HD2 PHE 14 HD2 PHE 14 2.633 6.157 13.841 115 HE1 PHE 14 HE1 PHE 14 -0.076 9.851 12.020 116 HE2 PHE 14 HE2 PHE 14 3.412 8.483 14.057 117 HZ PHE 14 HZ PHE 14 2.060 10.328 13.143 118 H VAL 15 H VAL 15 1.371 6.361 9.506 119 HA VAL 15 HA VAL 15 4.237 5.713 9.826 120 HB VAL 15 HB VAL 15 2.897 6.728 7.275 121 HG11 VAL 15 HG11 VAL 15 5.776 5.872 7.773 122 HG12 VAL 15 HG12 VAL 15 5.214 7.519 7.486 123 HG13 VAL 15 HG13 VAL 15 5.102 6.316 6.203 124 HG21 VAL 15 HG21 VAL 15 3.944 3.928 7.877 125 HG22 VAL 15 HG22 VAL 15 3.354 4.481 6.307 126 HG23 VAL 15 HG23 VAL 15 2.250 4.384 7.681 127 H HIS 16 H HIS 16 5.389 7.419 10.654 128 HA HIS 16 HA HIS 16 4.377 10.175 10.259 129 HB2 HIS 16 HB2 HIS 16 4.769 9.558 12.622 130 HB3 HIS 16 HB3 HIS 16 6.448 9.177 12.262 131 HD1 HIS 16 HD1 HIS 16 8.092 11.095 12.331 132 HD2 HIS 16 HD2 HIS 16 4.137 12.380 12.386 133 HE1 HIS 16 HE1 HIS 16 8.196 13.581 12.670 134 HE2 HIS 16 HE2 HIS 16 5.811 14.348 12.513 135 H ALA 17 H ALA 17 5.201 11.028 8.449 136 HA ALA 17 HA ALA 17 7.873 10.284 7.467 137 HB1 ALA 17 HB1 ALA 17 5.667 11.897 6.147 138 HB2 ALA 17 HB2 ALA 17 5.971 10.177 5.912 139 HB3 ALA 17 HB3 ALA 17 7.163 11.362 5.375 140 H ILE 18 H ILE 18 9.318 11.918 6.681 141 HA ILE 18 HA ILE 18 9.191 14.586 7.987 142 HB ILE 18 HB ILE 18 11.626 13.075 6.898 143 HG12 ILE 18 HG12 ILE 18 10.738 11.960 8.915 144 HG13 ILE 18 HG13 ILE 18 12.295 12.702 9.262 145 HG21 ILE 18 HG21 ILE 18 12.006 15.495 6.787 146 HG22 ILE 18 HG22 ILE 18 13.035 14.766 8.019 147 HG23 ILE 18 HG23 ILE 18 11.590 15.663 8.495 148 HD11 ILE 18 HD11 ILE 18 10.772 13.005 11.104 149 HD12 ILE 18 HD12 ILE 18 9.582 13.766 10.052 150 HD13 ILE 18 HD13 ILE 18 11.121 14.569 10.370 151 H THR 19 H THR 19 10.038 16.404 6.591 152 HA THR 19 HA THR 19 8.924 16.631 4.040 153 HB THR 19 HB THR 19 10.423 18.637 3.751 154 HG1 THR 19 HG1 THR 19 12.297 17.936 4.782 155 HG21 THR 19 HG21 THR 19 8.318 18.892 5.022 156 HG22 THR 19 HG22 THR 19 9.577 19.942 5.668 157 HG23 THR 19 HG23 THR 19 9.159 18.450 6.512 158 H SER 20 H SER 20 9.466 15.741 2.163 159 HA SER 20 HA SER 20 10.498 14.855 0.364 160 HB2 SER 20 HB2 SER 20 13.099 15.830 1.611 161 HB3 SER 20 HB3 SER 20 12.921 15.243 -0.043 162 HG SER 20 HG SER 20 12.754 17.675 0.610 163 H GLU 21 H GLU 21 10.487 13.382 3.189 164 HA GLU 21 HA GLU 21 12.598 11.398 2.904 165 HB2 GLU 21 HB2 GLU 21 11.225 12.417 5.082 166 HB3 GLU 21 HB3 GLU 21 10.401 10.885 4.879 167 HG2 GLU 21 HG2 GLU 21 13.412 11.162 5.183 168 HG3 GLU 21 HG3 GLU 21 12.314 10.918 6.538 169 H CYS 22 H CYS 22 12.289 9.135 2.549 170 HA CYS 22 HA CYS 22 10.239 8.524 0.582 171 HB2 CYS 22 HB2 CYS 22 11.545 6.439 0.220 172 HB3 CYS 22 HB3 CYS 22 12.552 7.881 0.128 173 HG CYS 22 HG CYS 22 12.726 6.980 3.204 174 H VAL 23 H VAL 23 8.292 7.784 1.197 175 HA VAL 23 HA VAL 23 8.046 5.770 3.372 176 HB VAL 23 HB VAL 23 5.910 7.611 2.190 177 HG11 VAL 23 HG11 VAL 23 4.907 5.457 2.811 178 HG12 VAL 23 HG12 VAL 23 4.384 6.714 3.930 179 HG13 VAL 23 HG13 VAL 23 5.626 5.559 4.420 180 HG21 VAL 23 HG21 VAL 23 5.883 8.695 4.414 181 HG22 VAL 23 HG22 VAL 23 7.478 8.810 3.668 182 HG23 VAL 23 HG23 VAL 23 7.189 7.634 4.951 183 H MET 24 H MET 24 8.052 3.729 2.496 184 HA MET 24 HA MET 24 6.594 3.219 -0.027 185 HB2 MET 24 HB2 MET 24 8.906 2.315 0.127 186 HB3 MET 24 HB3 MET 24 8.452 1.367 1.536 187 HG2 MET 24 HG2 MET 24 6.909 0.040 0.189 188 HG3 MET 24 HG3 MET 24 7.249 1.043 -1.225 189 HE1 MET 24 HE1 MET 24 7.818 -1.141 -2.676 190 HE2 MET 24 HE2 MET 24 7.480 -2.174 -1.285 191 HE3 MET 24 HE3 MET 24 8.989 -2.362 -2.178 192 H LEU 25 H LEU 25 4.498 3.003 0.361 193 HA LEU 25 HA LEU 25 3.336 1.901 2.765 194 HB2 LEU 25 HB2 LEU 25 2.071 2.648 0.100 195 HB3 LEU 25 HB3 LEU 25 1.186 2.305 1.584 196 HG LEU 25 HG LEU 25 3.154 4.612 1.290 197 HD11 LEU 25 HD11 LEU 25 1.212 6.085 1.082 198 HD12 LEU 25 HD12 LEU 25 0.138 4.684 1.049 199 HD13 LEU 25 HD13 LEU 25 1.300 4.939 -0.255 200 HD21 LEU 25 HD21 LEU 25 2.825 3.883 3.615 201 HD22 LEU 25 HD22 LEU 25 1.076 4.039 3.435 202 HD23 LEU 25 HD23 LEU 25 2.107 5.470 3.346 203 H ALA 26 H ALA 26 3.481 -0.232 3.092 204 HA ALA 26 HA ALA 26 3.922 -2.088 0.883 205 HB1 ALA 26 HB1 ALA 26 4.604 -3.661 2.657 206 HB2 ALA 26 HB2 ALA 26 4.074 -2.514 3.890 207 HB3 ALA 26 HB3 ALA 26 5.430 -2.111 2.838 208 H CYS 27 H CYS 27 2.103 -2.907 -0.073 209 HA CYS 27 HA CYS 27 0.083 -4.228 1.634 210 HB2 CYS 27 HB2 CYS 27 -0.468 -2.570 -0.844 211 HB3 CYS 27 HB3 CYS 27 -1.634 -3.727 -0.201 212 HG CYS 27 HG CYS 27 -0.605 -1.795 2.237 213 H GLU 28 H GLU 28 -0.701 -6.150 0.962 214 HA GLU 28 HA GLU 28 0.169 -7.466 -1.466 215 HB2 GLU 28 HB2 GLU 28 1.998 -7.872 0.219 216 HB3 GLU 28 HB3 GLU 28 0.822 -8.650 1.274 217 HG2 GLU 28 HG2 GLU 28 0.496 -10.456 -0.284 218 HG3 GLU 28 HG3 GLU 28 1.403 -9.616 -1.541 219 H VAL 29 H VAL 29 -1.476 -8.602 -2.217 220 HA VAL 29 HA VAL 29 -3.893 -8.984 -0.599 221 HB VAL 29 HB VAL 29 -5.027 -9.375 -2.796 222 HG11 VAL 29 HG11 VAL 29 -4.958 -7.105 -1.846 223 HG12 VAL 29 HG12 VAL 29 -4.916 -7.045 -3.608 224 HG13 VAL 29 HG13 VAL 29 -3.435 -6.784 -2.683 225 HG21 VAL 29 HG21 VAL 29 -3.844 -8.928 -4.931 226 HG22 VAL 29 HG22 VAL 29 -3.154 -10.319 -4.093 227 HG23 VAL 29 HG23 VAL 29 -2.317 -8.766 -4.053 228 H ASP 30 H ASP 30 -4.934 -10.967 -0.367 229 HA ASP 30 HA ASP 30 -3.367 -13.327 -0.192 230 HB2 ASP 30 HB2 ASP 30 -5.311 -12.794 1.281 231 HB3 ASP 30 HB3 ASP 30 -6.397 -13.002 -0.087 232 H ARG 31 H ARG 31 -5.395 -12.054 -2.722 233 HA ARG 31 HA ARG 31 -5.284 -14.567 -4.292 234 HB2 ARG 31 HB2 ARG 31 -7.577 -13.823 -3.638 235 HB3 ARG 31 HB3 ARG 31 -7.306 -12.285 -4.447 236 HG2 ARG 31 HG2 ARG 31 -7.080 -13.516 -6.614 237 HG3 ARG 31 HG3 ARG 31 -7.454 -15.015 -5.760 238 HD2 ARG 31 HD2 ARG 31 -9.656 -14.018 -5.086 239 HD3 ARG 31 HD3 ARG 31 -9.273 -12.605 -6.084 240 HE ARG 31 HE ARG 31 -9.229 -15.232 -7.349 241 HH11 ARG 31 HH11 ARG 31 -10.893 -12.234 -7.004 242 HH12 ARG 31 HH12 ARG 31 -11.941 -12.546 -8.338 243 HH21 ARG 31 HH21 ARG 31 -10.551 -15.610 -9.058 244 HH22 ARG 31 HH22 ARG 31 -11.734 -14.430 -9.505 245 H GLU 32 H GLU 32 -3.844 -14.466 -5.898 246 HA GLU 32 HA GLU 32 -2.681 -12.062 -6.957 247 HB2 GLU 32 HB2 GLU 32 -2.561 -14.883 -8.135 248 HB3 GLU 32 HB3 GLU 32 -1.524 -13.537 -8.575 249 HG2 GLU 32 HG2 GLU 32 -0.209 -14.931 -7.212 250 HG3 GLU 32 HG3 GLU 32 -0.652 -13.561 -6.201 251 H ASP 33 H ASP 33 -4.437 -10.822 -7.737 252 HA ASP 33 HA ASP 33 -5.523 -11.100 -10.291 253 HB2 ASP 33 HB2 ASP 33 -6.681 -13.112 -9.298 254 HB3 ASP 33 HB3 ASP 33 -7.456 -12.057 -8.124 255 H ALA 34 H ALA 34 -6.103 -10.040 -6.973 256 HA ALA 34 HA ALA 34 -8.185 -8.216 -7.317 257 HB1 ALA 34 HB1 ALA 34 -7.512 -9.173 -5.156 258 HB2 ALA 34 HB2 ALA 34 -7.632 -7.415 -5.078 259 HB3 ALA 34 HB3 ALA 34 -6.048 -8.189 -5.175 260 HA PRO 35 HA PRO 35 -5.786 -4.733 -9.167 261 HB2 PRO 35 HB2 PRO 35 -8.373 -3.532 -9.878 262 HB3 PRO 35 HB3 PRO 35 -7.140 -4.193 -10.955 263 HG2 PRO 35 HG2 PRO 35 -9.587 -5.375 -10.592 264 HG3 PRO 35 HG3 PRO 35 -8.121 -6.288 -11.010 265 HD2 PRO 35 HD2 PRO 35 -9.409 -5.914 -8.298 266 HD3 PRO 35 HD3 PRO 35 -8.769 -7.399 -9.046 267 H VAL 36 H VAL 36 -4.996 -3.646 -7.335 268 HA VAL 36 HA VAL 36 -6.741 -2.579 -5.305 269 HB VAL 36 HB VAL 36 -4.730 -1.751 -4.178 270 HG11 VAL 36 HG11 VAL 36 -4.309 -4.553 -5.294 271 HG12 VAL 36 HG12 VAL 36 -5.300 -4.126 -3.898 272 HG13 VAL 36 HG13 VAL 36 -3.552 -3.904 -3.836 273 HG21 VAL 36 HG21 VAL 36 -3.450 -0.920 -6.122 274 HG22 VAL 36 HG22 VAL 36 -3.162 -2.575 -6.661 275 HG23 VAL 36 HG23 VAL 36 -2.457 -2.006 -5.146 276 H ARG 37 H ARG 37 -7.088 -0.437 -4.737 277 HA ARG 37 HA ARG 37 -6.410 1.709 -6.668 278 HB2 ARG 37 HB2 ARG 37 -9.086 1.352 -5.231 279 HB3 ARG 37 HB3 ARG 37 -8.658 2.708 -6.276 280 HG2 ARG 37 HG2 ARG 37 -8.516 1.149 -8.202 281 HG3 ARG 37 HG3 ARG 37 -8.965 -0.191 -7.143 282 HD2 ARG 37 HD2 ARG 37 -10.913 0.573 -8.406 283 HD3 ARG 37 HD3 ARG 37 -11.138 0.911 -6.685 284 HE ARG 37 HE ARG 37 -10.020 3.163 -8.009 285 HH11 ARG 37 HH11 ARG 37 -13.052 1.538 -7.596 286 HH12 ARG 37 HH12 ARG 37 -13.962 2.946 -7.997 287 HH21 ARG 37 HH21 ARG 37 -11.210 4.918 -8.510 288 HH22 ARG 37 HH22 ARG 37 -12.938 4.830 -8.517 289 H TRP 38 H TRP 38 -4.991 2.936 -5.543 290 HA TRP 38 HA TRP 38 -5.087 3.183 -2.641 291 HB2 TRP 38 HB2 TRP 38 -3.219 4.357 -4.755 292 HB3 TRP 38 HB3 TRP 38 -3.028 4.622 -3.025 293 HD1 TRP 38 HD1 TRP 38 -2.609 1.873 -5.697 294 HE1 TRP 38 HE1 TRP 38 -1.161 -0.001 -4.691 295 HE3 TRP 38 HE3 TRP 38 -2.399 3.519 -0.865 296 HZ2 TRP 38 HZ2 TRP 38 -0.078 -0.697 -2.177 297 HZ3 TRP 38 HZ3 TRP 38 -1.140 2.201 0.781 298 HH2 TRP 38 HH2 TRP 38 0.002 0.134 0.141 299 H TYR 39 H TYR 39 -5.677 5.050 -1.531 300 HA TYR 39 HA TYR 39 -6.690 7.374 -3.069 301 HB2 TYR 39 HB2 TYR 39 -7.967 5.994 -0.680 302 HB3 TYR 39 HB3 TYR 39 -8.417 7.619 -1.187 303 HD1 TYR 39 HD2 TYR 39 -9.405 7.977 -3.507 304 HD2 TYR 39 HD1 TYR 39 -8.891 4.072 -1.797 305 HE1 TYR 39 HE2 TYR 39 -11.033 7.041 -5.097 306 HE2 TYR 39 HE1 TYR 39 -10.515 3.159 -3.402 307 HH TYR 39 HH TYR 39 -11.534 4.814 -6.125 308 H LYS 40 H LYS 40 -5.784 9.263 -2.493 309 HA LYS 40 HA LYS 40 -4.205 9.539 -0.062 310 HB2 LYS 40 HB2 LYS 40 -3.619 10.496 -2.389 311 HB3 LYS 40 HB3 LYS 40 -4.889 11.686 -2.125 312 HG2 LYS 40 HG2 LYS 40 -3.653 12.506 -0.113 313 HG3 LYS 40 HG3 LYS 40 -2.367 11.340 -0.457 314 HD2 LYS 40 HD2 LYS 40 -1.948 12.434 -2.635 315 HD3 LYS 40 HD3 LYS 40 -3.261 13.574 -2.326 316 HE2 LYS 40 HE2 LYS 40 -0.676 13.347 -0.746 317 HE3 LYS 40 HE3 LYS 40 -1.092 14.620 -1.895 318 HZ1 LYS 40 HZ1 LYS 40 -1.491 15.465 0.246 319 HZ2 LYS 40 HZ2 LYS 40 -2.322 14.083 0.746 320 HZ3 LYS 40 HZ3 LYS 40 -3.024 15.123 -0.392 321 H ASP 41 H ASP 41 -5.617 12.553 -0.439 322 HA ASP 41 HA ASP 41 -7.492 12.186 1.771 323 HB2 ASP 41 HB2 ASP 41 -7.507 14.697 1.796 324 HB3 ASP 41 HB3 ASP 41 -5.907 13.998 1.998 325 H GLY 42 H GLY 42 -8.458 10.885 -0.403 326 HA2 GLY 42 HA2 GLY 42 -10.628 10.714 -1.349 327 HA3 GLY 42 HA3 GLY 42 -10.781 12.460 -1.320 328 H GLN 43 H GLN 43 -7.797 12.093 -2.522 329 HA GLN 43 HA GLN 43 -8.591 12.880 -5.148 330 HB2 GLN 43 HB2 GLN 43 -6.685 13.931 -4.012 331 HB3 GLN 43 HB3 GLN 43 -5.838 12.395 -3.940 332 HG2 GLN 43 HG2 GLN 43 -4.874 13.836 -5.656 333 HG3 GLN 43 HG3 GLN 43 -5.587 12.401 -6.389 334 HE21 GLN 43 HE21 GLN 43 -5.898 15.861 -5.974 335 HE22 GLN 43 HE22 GLN 43 -7.032 16.113 -7.248 336 H GLU 44 H GLU 44 -7.437 9.853 -3.849 337 HA GLU 44 HA GLU 44 -6.865 7.845 -4.657 338 HB2 GLU 44 HB2 GLU 44 -8.895 7.891 -6.027 339 HB3 GLU 44 HB3 GLU 44 -8.049 8.746 -7.310 340 HG2 GLU 44 HG2 GLU 44 -6.645 6.809 -7.751 341 HG3 GLU 44 HG3 GLU 44 -7.316 5.958 -6.362 342 H VAL 45 H VAL 45 -4.882 7.138 -5.023 343 HA VAL 45 HA VAL 45 -2.915 8.942 -6.211 344 HB VAL 45 HB VAL 45 -2.362 6.370 -4.669 345 HG11 VAL 45 HG11 VAL 45 -0.572 8.772 -5.231 346 HG12 VAL 45 HG12 VAL 45 -0.445 7.182 -5.983 347 HG13 VAL 45 HG13 VAL 45 -0.133 7.364 -4.258 348 HG21 VAL 45 HG21 VAL 45 -2.594 9.185 -3.538 349 HG22 VAL 45 HG22 VAL 45 -2.058 7.756 -2.652 350 HG23 VAL 45 HG23 VAL 45 -3.712 7.849 -3.252 351 H GLU 46 H GLU 46 -2.485 8.650 -8.290 352 HA GLU 46 HA GLU 46 -2.067 5.930 -9.414 353 HB2 GLU 46 HB2 GLU 46 -2.393 7.056 -11.667 354 HB3 GLU 46 HB3 GLU 46 -3.829 7.015 -10.650 355 HG2 GLU 46 HG2 GLU 46 -3.359 9.391 -9.980 356 HG3 GLU 46 HG3 GLU 46 -2.021 9.404 -11.134 357 H GLU 47 H GLU 47 -0.333 6.060 -11.284 358 HA GLU 47 HA GLU 47 2.139 6.711 -10.046 359 HB2 GLU 47 HB2 GLU 47 1.626 6.008 -12.971 360 HB3 GLU 47 HB3 GLU 47 3.199 6.022 -12.190 361 HG2 GLU 47 HG2 GLU 47 2.771 3.770 -12.094 362 HG3 GLU 47 HG3 GLU 47 2.051 4.246 -10.561 363 H SER 48 H SER 48 3.427 8.473 -10.197 364 HA SER 48 HA SER 48 2.809 10.712 -12.005 365 HB2 SER 48 HB2 SER 48 1.399 11.057 -9.978 366 HB3 SER 48 HB3 SER 48 2.825 10.918 -8.954 367 HG SER 48 HG SER 48 2.224 12.958 -10.832 368 H ASP 49 H ASP 49 4.462 12.624 -11.195 369 HA ASP 49 HA ASP 49 7.054 11.799 -11.912 370 HB2 ASP 49 HB2 ASP 49 6.073 14.099 -12.211 371 HB3 ASP 49 HB3 ASP 49 6.237 14.363 -10.480 372 H PHE 50 H PHE 50 5.578 12.216 -8.723 373 HA PHE 50 HA PHE 50 8.063 11.282 -7.380 374 HB2 PHE 50 HB2 PHE 50 5.769 12.943 -6.225 375 HB3 PHE 50 HB3 PHE 50 7.155 12.366 -5.307 376 HD1 PHE 50 HD1 PHE 50 9.454 13.248 -5.832 377 HD2 PHE 50 HD2 PHE 50 5.937 14.945 -7.581 378 HE1 PHE 50 HE1 PHE 50 10.720 15.272 -6.432 379 HE2 PHE 50 HE2 PHE 50 7.217 16.966 -8.173 380 HZ PHE 50 HZ PHE 50 9.606 17.130 -7.600 381 H VAL 51 H VAL 51 5.573 9.769 -8.611 382 HA VAL 51 HA VAL 51 5.150 7.957 -6.291 383 HB VAL 51 HB VAL 51 2.937 8.639 -8.285 384 HG11 VAL 51 HG11 VAL 51 2.848 6.990 -5.725 385 HG12 VAL 51 HG12 VAL 51 2.774 6.362 -7.372 386 HG13 VAL 51 HG13 VAL 51 1.462 7.365 -6.756 387 HG21 VAL 51 HG21 VAL 51 3.194 9.631 -5.418 388 HG22 VAL 51 HG22 VAL 51 1.790 9.864 -6.459 389 HG23 VAL 51 HG23 VAL 51 3.331 10.613 -6.876 390 H VAL 52 H VAL 52 5.797 5.906 -6.805 391 HA VAL 52 HA VAL 52 5.082 4.811 -9.470 392 HB VAL 52 HB VAL 52 7.079 3.348 -9.488 393 HG11 VAL 52 HG11 VAL 52 7.212 5.478 -10.705 394 HG12 VAL 52 HG12 VAL 52 8.794 5.023 -10.072 395 HG13 VAL 52 HG13 VAL 52 7.852 6.281 -9.269 396 HG21 VAL 52 HG21 VAL 52 8.987 3.711 -7.931 397 HG22 VAL 52 HG22 VAL 52 7.541 3.154 -7.086 398 HG23 VAL 52 HG23 VAL 52 8.006 4.856 -7.009 399 H LEU 53 H LEU 53 4.343 2.641 -9.460 400 HA LEU 53 HA LEU 53 3.664 1.491 -6.801 401 HB2 LEU 53 HB2 LEU 53 2.198 1.161 -9.456 402 HB3 LEU 53 HB3 LEU 53 1.757 0.359 -7.956 403 HG LEU 53 HG LEU 53 1.604 3.352 -8.511 404 HD11 LEU 53 HD11 LEU 53 -0.176 2.098 -9.620 405 HD12 LEU 53 HD12 LEU 53 -0.831 3.060 -8.299 406 HD13 LEU 53 HD13 LEU 53 -0.617 1.318 -8.096 407 HD21 LEU 53 HD21 LEU 53 0.556 3.561 -6.281 408 HD22 LEU 53 HD22 LEU 53 2.224 3.012 -6.176 409 HD23 LEU 53 HD23 LEU 53 0.905 1.859 -5.958 410 H GLU 54 H GLU 54 4.365 -0.546 -6.337 411 HA GLU 54 HA GLU 54 5.784 -2.154 -8.353 412 HB2 GLU 54 HB2 GLU 54 5.610 -2.410 -5.318 413 HB3 GLU 54 HB3 GLU 54 6.491 -3.534 -6.353 414 HG2 GLU 54 HG2 GLU 54 7.089 -0.599 -5.891 415 HG3 GLU 54 HG3 GLU 54 8.047 -1.981 -5.359 416 H ASN 55 H ASN 55 4.568 -3.575 -9.454 417 HA ASN 55 HA ASN 55 2.334 -5.001 -8.114 418 HB2 ASN 55 HB2 ASN 55 2.277 -3.896 -10.959 419 HB3 ASN 55 HB3 ASN 55 0.973 -4.758 -10.147 420 HD21 ASN 55 HD21 ASN 55 -0.186 -3.663 -8.475 421 HD22 ASN 55 HD22 ASN 55 -0.154 -1.943 -8.353 422 H GLU 56 H GLU 56 2.927 -7.088 -8.054 423 HA GLU 56 HA GLU 56 3.486 -8.596 -10.436 424 HB2 GLU 56 HB2 GLU 56 5.665 -9.577 -9.557 425 HB3 GLU 56 HB3 GLU 56 5.771 -7.907 -10.101 426 HG2 GLU 56 HG2 GLU 56 5.761 -7.107 -7.788 427 HG3 GLU 56 HG3 GLU 56 5.532 -8.748 -7.191 428 H GLY 57 H GLY 57 2.142 -10.300 -10.162 429 HA2 GLY 57 HA2 GLY 57 1.011 -12.089 -9.276 430 HA3 GLY 57 HA3 GLY 57 2.331 -12.239 -8.134 431 HA PRO 58 HA PRO 58 -0.882 -10.788 -5.172 432 HB2 PRO 58 HB2 PRO 58 0.254 -11.617 -2.883 433 HB3 PRO 58 HB3 PRO 58 -0.420 -12.782 -4.034 434 HG2 PRO 58 HG2 PRO 58 2.455 -12.005 -3.580 435 HG3 PRO 58 HG3 PRO 58 1.763 -13.617 -3.856 436 HD2 PRO 58 HD2 PRO 58 2.969 -12.033 -5.828 437 HD3 PRO 58 HD3 PRO 58 1.845 -13.371 -6.151 438 H HIS 59 H HIS 59 2.360 -9.686 -5.576 439 HA HIS 59 HA HIS 59 2.476 -7.818 -3.375 440 HB2 HIS 59 HB2 HIS 59 4.297 -8.280 -5.764 441 HB3 HIS 59 HB3 HIS 59 4.603 -7.021 -4.575 442 HD1 HIS 59 HD1 HIS 59 6.330 -7.736 -2.983 443 HD2 HIS 59 HD2 HIS 59 3.970 -10.945 -4.157 444 HE1 HIS 59 HE1 HIS 59 7.224 -9.713 -1.736 445 HE2 HIS 59 HE2 HIS 59 5.664 -11.593 -2.313 446 H ARG 60 H ARG 60 1.313 -5.991 -3.348 447 HA ARG 60 HA ARG 60 1.344 -4.179 -5.690 448 HB2 ARG 60 HB2 ARG 60 -1.107 -4.979 -4.079 449 HB3 ARG 60 HB3 ARG 60 -1.031 -3.413 -4.861 450 HG2 ARG 60 HG2 ARG 60 -2.216 -4.678 -6.406 451 HG3 ARG 60 HG3 ARG 60 -0.576 -4.730 -7.047 452 HD2 ARG 60 HD2 ARG 60 -0.282 -6.991 -6.045 453 HD3 ARG 60 HD3 ARG 60 -1.944 -6.922 -5.452 454 HE ARG 60 HE ARG 60 -2.736 -7.061 -7.671 455 HH11 ARG 60 HH11 ARG 60 0.729 -7.348 -7.595 456 HH12 ARG 60 HH12 ARG 60 0.781 -8.107 -9.148 457 HH21 ARG 60 HH21 ARG 60 -2.610 -7.992 -9.645 458 HH22 ARG 60 HH22 ARG 60 -1.081 -8.462 -10.289 459 H ARG 61 H ARG 61 3.223 -3.385 -4.333 460 HA ARG 61 HA ARG 61 2.443 -1.867 -1.901 461 HB2 ARG 61 HB2 ARG 61 5.244 -2.602 -2.859 462 HB3 ARG 61 HB3 ARG 61 4.836 -1.820 -1.332 463 HG2 ARG 61 HG2 ARG 61 3.490 -3.960 -0.794 464 HG3 ARG 61 HG3 ARG 61 4.315 -4.691 -2.173 465 HD2 ARG 61 HD2 ARG 61 6.505 -4.166 -1.085 466 HD3 ARG 61 HD3 ARG 61 5.642 -3.525 0.309 467 HE ARG 61 HE ARG 61 6.286 -6.231 -0.189 468 HH11 ARG 61 HH11 ARG 61 3.459 -4.567 0.905 469 HH12 ARG 61 HH12 ARG 61 3.099 -5.763 2.090 470 HH21 ARG 61 HH21 ARG 61 5.727 -7.777 1.313 471 HH22 ARG 61 HH22 ARG 61 4.344 -7.527 2.323 472 H LEU 62 H LEU 62 2.297 0.317 -2.009 473 HA LEU 62 HA LEU 62 3.133 1.849 -4.316 474 HB2 LEU 62 HB2 LEU 62 1.068 2.294 -2.968 475 HB3 LEU 62 HB3 LEU 62 2.067 2.789 -1.622 476 HG LEU 62 HG LEU 62 2.174 4.267 -4.283 477 HD11 LEU 62 HD11 LEU 62 0.238 4.856 -2.019 478 HD12 LEU 62 HD12 LEU 62 -0.181 4.236 -3.617 479 HD13 LEU 62 HD13 LEU 62 0.491 5.855 -3.456 480 HD21 LEU 62 HD21 LEU 62 2.855 6.199 -2.897 481 HD22 LEU 62 HD22 LEU 62 3.968 4.849 -2.731 482 HD23 LEU 62 HD23 LEU 62 2.799 5.183 -1.452 483 H VAL 63 H VAL 63 5.010 2.996 -4.565 484 HA VAL 63 HA VAL 63 6.813 3.376 -2.230 485 HB VAL 63 HB VAL 63 7.648 3.273 -5.164 486 HG11 VAL 63 HG11 VAL 63 9.362 3.298 -2.645 487 HG12 VAL 63 HG12 VAL 63 9.172 4.629 -3.790 488 HG13 VAL 63 HG13 VAL 63 9.968 3.138 -4.297 489 HG21 VAL 63 HG21 VAL 63 7.939 1.079 -3.076 490 HG22 VAL 63 HG22 VAL 63 8.604 1.040 -4.711 491 HG23 VAL 63 HG23 VAL 63 6.858 1.051 -4.472 492 H LEU 64 H LEU 64 6.700 5.426 -1.533 493 HA LEU 64 HA LEU 64 6.417 7.681 -3.443 494 HB2 LEU 64 HB2 LEU 64 4.840 7.151 -1.238 495 HB3 LEU 64 HB3 LEU 64 6.032 8.199 -0.509 496 HG LEU 64 HG LEU 64 4.187 9.590 -1.104 497 HD11 LEU 64 HD11 LEU 64 6.249 10.000 -3.284 498 HD12 LEU 64 HD12 LEU 64 6.344 10.609 -1.630 499 HD13 LEU 64 HD13 LEU 64 5.075 11.190 -2.704 500 HD21 LEU 64 HD21 LEU 64 4.235 8.396 -3.889 501 HD22 LEU 64 HD22 LEU 64 3.150 9.668 -3.320 502 HD23 LEU 64 HD23 LEU 64 3.049 8.053 -2.626 503 HA PRO 65 HA PRO 65 10.932 7.835 -2.289 504 HB2 PRO 65 HB2 PRO 65 11.631 9.527 -4.383 505 HB3 PRO 65 HB3 PRO 65 11.510 7.767 -4.522 506 HG2 PRO 65 HG2 PRO 65 9.440 9.865 -5.206 507 HG3 PRO 65 HG3 PRO 65 9.977 8.478 -6.175 508 HD2 PRO 65 HD2 PRO 65 7.707 8.329 -4.795 509 HD3 PRO 65 HD3 PRO 65 8.801 6.926 -4.837 510 H ALA 66 H ALA 66 8.998 10.772 -3.162 511 HA ALA 66 HA ALA 66 10.282 12.208 -0.892 512 HB1 ALA 66 HB1 ALA 66 10.216 14.294 -2.194 513 HB2 ALA 66 HB2 ALA 66 9.543 13.430 -3.581 514 HB3 ALA 66 HB3 ALA 66 11.179 13.071 -3.024 515 H THR 67 H THR 67 8.563 11.672 0.469 516 HA THR 67 HA THR 67 5.807 11.978 -0.191 517 HB THR 67 HB THR 67 7.027 11.715 2.592 518 HG1 THR 67 HG1 THR 67 6.160 9.745 0.712 519 HG21 THR 67 HG21 THR 67 4.842 10.689 3.207 520 HG22 THR 67 HG22 THR 67 4.219 11.045 1.596 521 HG23 THR 67 HG23 THR 67 4.632 12.364 2.693 522 H GLN 68 H GLN 68 8.125 14.184 1.375 523 HA GLN 68 HA GLN 68 8.069 16.453 1.699 524 HB2 GLN 68 HB2 GLN 68 5.805 16.210 -0.333 525 HB3 GLN 68 HB3 GLN 68 6.521 17.746 0.145 526 HG2 GLN 68 HG2 GLN 68 8.685 17.066 -0.752 527 HG3 GLN 68 HG3 GLN 68 8.061 15.463 -1.132 528 HE21 GLN 68 HE21 GLN 68 6.651 15.220 -2.895 529 HE22 GLN 68 HE22 GLN 68 6.496 16.430 -4.115 530 HA PRO 69 HA PRO 69 4.573 17.596 4.586 531 HB2 PRO 69 HB2 PRO 69 4.081 20.228 3.262 532 HB3 PRO 69 HB3 PRO 69 4.519 19.878 4.939 533 HG2 PRO 69 HG2 PRO 69 6.293 20.966 3.234 534 HG3 PRO 69 HG3 PRO 69 6.798 19.797 4.471 535 HD2 PRO 69 HD2 PRO 69 6.328 19.351 1.522 536 HD3 PRO 69 HD3 PRO 69 7.645 18.747 2.555 537 H SER 70 H SER 70 4.159 18.196 1.149 538 HA SER 70 HA SER 70 1.310 18.472 1.137 539 HB2 SER 70 HB2 SER 70 1.660 18.454 -1.386 540 HB3 SER 70 HB3 SER 70 2.580 19.671 -0.505 541 HG SER 70 HG SER 70 3.493 17.280 -1.701 542 H ASP 71 H ASP 71 3.453 15.823 -0.137 543 HA ASP 71 HA ASP 71 1.199 14.300 -1.130 544 HB2 ASP 71 HB2 ASP 71 4.174 13.642 -1.065 545 HB3 ASP 71 HB3 ASP 71 2.957 12.616 -1.821 546 H GLY 72 H GLY 72 1.828 14.601 1.966 547 HA2 GLY 72 HA2 GLY 72 1.606 11.863 2.901 548 HA3 GLY 72 HA3 GLY 72 1.422 13.328 3.851 549 H GLY 73 H GLY 73 -0.410 12.408 4.915 550 HA2 GLY 73 HA2 GLY 73 -2.805 12.742 5.046 551 HA3 GLY 73 HA3 GLY 73 -2.929 12.383 3.329 552 H GLU 74 H GLU 74 -4.671 10.964 4.557 553 HA GLU 74 HA GLU 74 -3.608 8.419 5.536 554 HB2 GLU 74 HB2 GLU 74 -6.467 9.393 5.164 555 HB3 GLU 74 HB3 GLU 74 -6.016 7.841 5.880 556 HG2 GLU 74 HG2 GLU 74 -4.718 9.150 7.639 557 HG3 GLU 74 HG3 GLU 74 -5.444 10.615 6.983 558 H PHE 75 H PHE 75 -3.308 6.647 4.263 559 HA PHE 75 HA PHE 75 -4.269 6.728 1.466 560 HB2 PHE 75 HB2 PHE 75 -1.781 5.458 2.649 561 HB3 PHE 75 HB3 PHE 75 -2.308 5.191 0.990 562 HD1 PHE 75 HD2 PHE 75 -0.921 7.702 3.337 563 HD2 PHE 75 HD1 PHE 75 -2.084 6.929 -0.702 564 HE1 PHE 75 HE2 PHE 75 0.251 9.739 2.603 565 HE2 PHE 75 HE1 PHE 75 -0.908 8.968 -1.421 566 HZ PHE 75 HZ PHE 75 0.256 10.373 0.226 567 H GLN 76 H GLN 76 -5.890 5.409 1.030 568 HA GLN 76 HA GLN 76 -6.206 2.829 2.467 569 HB2 GLN 76 HB2 GLN 76 -8.052 4.429 2.824 570 HB3 GLN 76 HB3 GLN 76 -8.284 4.577 1.084 571 HG2 GLN 76 HG2 GLN 76 -8.910 2.160 1.002 572 HG3 GLN 76 HG3 GLN 76 -8.751 2.088 2.757 573 HE21 GLN 76 HE21 GLN 76 -10.156 4.836 1.029 574 HE22 GLN 76 HE22 GLN 76 -11.767 4.583 1.579 575 H CYS 77 H CYS 77 -5.753 1.057 1.296 576 HA CYS 77 HA CYS 77 -5.649 1.149 -1.659 577 HB2 CYS 77 HB2 CYS 77 -3.583 0.463 -0.520 578 HB3 CYS 77 HB3 CYS 77 -4.444 -0.813 0.335 579 HG CYS 77 HG CYS 77 -2.694 -1.557 -1.938 580 H VAL 78 H VAL 78 -7.767 0.730 -2.308 581 HA VAL 78 HA VAL 78 -9.338 -1.441 -1.144 582 HB VAL 78 HB VAL 78 -10.115 0.518 -3.354 583 HG11 VAL 78 HG11 VAL 78 -11.522 -1.499 -3.382 584 HG12 VAL 78 HG12 VAL 78 -12.457 -0.113 -2.823 585 HG13 VAL 78 HG13 VAL 78 -11.874 -1.308 -1.661 586 HG21 VAL 78 HG21 VAL 78 -10.691 0.702 -0.365 587 HG22 VAL 78 HG22 VAL 78 -11.313 1.797 -1.604 588 HG23 VAL 78 HG23 VAL 78 -9.582 1.733 -1.276 589 H ALA 79 H ALA 79 -8.806 -3.428 -1.878 590 HA ALA 79 HA ALA 79 -7.862 -3.935 -4.598 591 HB1 ALA 79 HB1 ALA 79 -6.761 -5.008 -2.674 592 HB2 ALA 79 HB2 ALA 79 -7.438 -6.211 -3.771 593 HB3 ALA 79 HB3 ALA 79 -8.268 -5.831 -2.259 594 H GLY 80 H GLY 80 -10.541 -5.003 -2.525 595 HA2 GLY 80 HA2 GLY 80 -12.668 -5.056 -4.232 596 HA3 GLY 80 HA3 GLY 80 -11.855 -6.580 -4.580 597 H ASP 81 H ASP 81 -14.228 -5.225 -2.688 598 HA ASP 81 HA ASP 81 -15.360 -5.654 -0.789 599 HB2 ASP 81 HB2 ASP 81 -15.402 -8.028 -1.406 600 HB3 ASP 81 HB3 ASP 81 -13.797 -8.270 -0.734 601 H GLU 82 H GLU 82 -12.115 -6.940 -0.108 602 HA GLU 82 HA GLU 82 -11.873 -5.511 2.412 603 HB2 GLU 82 HB2 GLU 82 -10.226 -7.570 0.928 604 HB3 GLU 82 HB3 GLU 82 -9.556 -6.734 2.324 605 HG2 GLU 82 HG2 GLU 82 -12.222 -8.133 2.559 606 HG3 GLU 82 HG3 GLU 82 -10.738 -9.078 2.600 607 H CYS 83 H CYS 83 -10.094 -4.184 2.931 608 HA CYS 83 HA CYS 83 -8.499 -2.889 0.862 609 HB2 CYS 83 HB2 CYS 83 -9.317 -0.612 1.462 610 HB3 CYS 83 HB3 CYS 83 -10.594 -1.604 0.764 611 HG CYS 83 HG CYS 83 -10.814 -2.103 3.944 612 H ALA 84 H ALA 84 -6.691 -1.853 1.677 613 HA ALA 84 HA ALA 84 -5.956 -2.307 4.488 614 HB1 ALA 84 HB1 ALA 84 -3.659 -1.830 3.731 615 HB2 ALA 84 HB2 ALA 84 -4.258 -1.425 2.120 616 HB3 ALA 84 HB3 ALA 84 -4.402 -3.076 2.725 617 H TYR 85 H TYR 85 -5.019 -0.586 5.758 618 HA TYR 85 HA TYR 85 -5.749 2.175 4.958 619 HB2 TYR 85 HB2 TYR 85 -6.293 0.811 7.626 620 HB3 TYR 85 HB3 TYR 85 -6.356 2.557 7.419 621 HD1 TYR 85 HD1 TYR 85 -8.009 -0.645 6.495 622 HD2 TYR 85 HD2 TYR 85 -8.254 3.620 6.330 623 HE1 TYR 85 HE1 TYR 85 -10.362 -0.801 5.796 624 HE2 TYR 85 HE2 TYR 85 -10.606 3.459 5.636 625 HH TYR 85 HH TYR 85 -12.104 1.846 4.561 626 H PHE 86 H PHE 86 -4.208 3.623 5.207 627 HA PHE 86 HA PHE 86 -2.062 3.319 7.222 628 HB2 PHE 86 HB2 PHE 86 -1.750 4.456 4.400 629 HB3 PHE 86 HB3 PHE 86 -0.512 4.510 5.648 630 HD1 PHE 86 HD2 PHE 86 0.678 2.440 6.330 631 HD2 PHE 86 HD1 PHE 86 -2.177 2.413 3.141 632 HE1 PHE 86 HE2 PHE 86 1.559 0.276 5.550 633 HE2 PHE 86 HE1 PHE 86 -1.289 0.250 2.378 634 HZ PHE 86 HZ PHE 86 0.578 -0.817 3.575 635 H THR 87 H THR 87 -1.443 5.270 8.228 636 HA THR 87 HA THR 87 -2.839 7.772 7.413 637 HB THR 87 HB THR 87 -2.277 6.915 10.296 638 HG1 THR 87 HG1 THR 87 -4.840 7.288 9.104 639 HG21 THR 87 HG21 THR 87 -3.559 8.926 10.945 640 HG22 THR 87 HG22 THR 87 -3.729 9.376 9.249 641 HG23 THR 87 HG23 THR 87 -2.133 9.376 10.002 642 H VAL 88 H VAL 88 -1.140 8.789 6.393 643 HA VAL 88 HA VAL 88 1.536 8.764 7.635 644 HB VAL 88 HB VAL 88 0.735 9.759 4.860 645 HG11 VAL 88 HG11 VAL 88 3.510 9.326 6.050 646 HG12 VAL 88 HG12 VAL 88 2.769 10.882 5.671 647 HG13 VAL 88 HG13 VAL 88 3.172 9.762 4.370 648 HG21 VAL 88 HG21 VAL 88 2.059 7.128 5.649 649 HG22 VAL 88 HG22 VAL 88 1.780 7.682 3.997 650 HG23 VAL 88 HG23 VAL 88 0.410 7.324 5.047 651 H THR 89 H THR 89 1.473 10.261 9.238 652 HA THR 89 HA THR 89 0.651 13.047 8.683 653 HB THR 89 HB THR 89 1.538 11.767 11.319 654 HG1 THR 89 HG1 THR 89 -0.835 12.150 11.730 655 HG21 THR 89 HG21 THR 89 0.599 13.789 12.400 656 HG22 THR 89 HG22 THR 89 0.250 14.485 10.816 657 HG23 THR 89 HG23 THR 89 1.923 14.219 11.313 658 H ILE 90 H ILE 90 2.187 14.614 8.316 659 HA ILE 90 HA ILE 90 4.948 13.747 7.943 660 HB ILE 90 HB ILE 90 3.804 16.519 7.404 661 HG12 ILE 90 HG12 ILE 90 2.442 14.870 6.172 662 HG13 ILE 90 HG13 ILE 90 3.437 15.787 5.049 663 HG21 ILE 90 HG21 ILE 90 6.263 15.116 6.272 664 HG22 ILE 90 HG22 ILE 90 6.259 16.448 7.428 665 HG23 ILE 90 HG23 ILE 90 5.681 16.710 5.784 666 HD11 ILE 90 HD11 ILE 90 3.344 13.461 4.424 667 HD12 ILE 90 HD12 ILE 90 3.951 12.969 6.004 668 HD13 ILE 90 HD13 ILE 90 4.986 13.883 4.903 Start of MODEL 20 1 H HIS 1 H1 HIS 1 -17.777 -16.945 -6.150 2 HA HIS 1 HA HIS 1 -16.326 -17.663 -7.893 3 HB2 HIS 1 HB2 HIS 1 -18.250 -16.130 -9.683 4 HB3 HIS 1 HB3 HIS 1 -16.633 -16.584 -10.210 5 HD1 HIS 1 HD1 HIS 1 -20.060 -17.928 -9.825 6 HD2 HIS 1 HD2 HIS 1 -16.234 -19.432 -10.465 7 HE1 HIS 1 HE1 HIS 1 -20.379 -20.305 -10.565 8 HE2 HIS 1 HE2 HIS 1 -18.057 -21.209 -10.900 9 H MET 2 H MET 2 -14.470 -16.618 -7.771 10 HA MET 2 HA MET 2 -12.864 -15.132 -7.346 11 HB2 MET 2 HB2 MET 2 -14.600 -13.273 -9.007 12 HB3 MET 2 HB3 MET 2 -12.924 -12.949 -8.575 13 HG2 MET 2 HG2 MET 2 -12.985 -13.788 -10.832 14 HG3 MET 2 HG3 MET 2 -12.252 -15.016 -9.802 15 HE1 MET 2 HE1 MET 2 -13.195 -15.770 -12.680 16 HE2 MET 2 HE2 MET 2 -14.168 -17.219 -12.433 17 HE3 MET 2 HE3 MET 2 -12.654 -17.028 -11.558 18 HA PRO 3 HA PRO 3 -14.490 -12.710 -3.731 19 HB2 PRO 3 HB2 PRO 3 -13.613 -14.255 -1.705 20 HB3 PRO 3 HB3 PRO 3 -15.126 -14.641 -2.541 21 HG2 PRO 3 HG2 PRO 3 -12.386 -15.851 -2.922 22 HG3 PRO 3 HG3 PRO 3 -13.957 -16.671 -2.781 23 HD2 PRO 3 HD2 PRO 3 -12.714 -16.125 -5.193 24 HD3 PRO 3 HD3 PRO 3 -14.471 -16.324 -5.016 25 H VAL 4 H VAL 4 -12.985 -11.756 -1.962 26 HA VAL 4 HA VAL 4 -10.133 -12.089 -2.195 27 HB VAL 4 HB VAL 4 -10.465 -10.715 -4.213 28 HG11 VAL 4 HG11 VAL 4 -11.646 -8.565 -2.414 29 HG12 VAL 4 HG12 VAL 4 -12.517 -9.507 -3.623 30 HG13 VAL 4 HG13 VAL 4 -11.264 -8.372 -4.127 31 HG21 VAL 4 HG21 VAL 4 -9.054 -9.129 -2.027 32 HG22 VAL 4 HG22 VAL 4 -8.807 -8.932 -3.765 33 HG23 VAL 4 HG23 VAL 4 -8.348 -10.441 -2.975 34 H HIS 5 H HIS 5 -9.109 -11.462 -0.382 35 HA HIS 5 HA HIS 5 -10.131 -9.414 1.433 36 HB2 HIS 5 HB2 HIS 5 -11.130 -11.560 2.238 37 HB3 HIS 5 HB3 HIS 5 -9.522 -12.265 2.364 38 HD1 HIS 5 HD1 HIS 5 -11.765 -9.700 3.980 39 HD2 HIS 5 HD2 HIS 5 -8.120 -11.565 4.713 40 HE1 HIS 5 HE1 HIS 5 -11.149 -9.072 6.323 41 HE2 HIS 5 HE2 HIS 5 -8.837 -9.996 6.643 42 H ILE 6 H ILE 6 -8.403 -8.092 1.739 43 HA ILE 6 HA ILE 6 -5.700 -8.668 1.246 44 HB ILE 6 HB ILE 6 -6.901 -6.456 2.978 45 HG12 ILE 6 HG12 ILE 6 -6.033 -6.446 0.047 46 HG13 ILE 6 HG13 ILE 6 -7.698 -6.450 0.620 47 HG21 ILE 6 HG21 ILE 6 -4.088 -6.628 1.814 48 HG22 ILE 6 HG22 ILE 6 -4.510 -6.742 3.523 49 HG23 ILE 6 HG23 ILE 6 -4.767 -5.231 2.655 50 HD11 ILE 6 HD11 ILE 6 -7.346 -4.236 1.610 51 HD12 ILE 6 HD12 ILE 6 -7.041 -4.258 -0.126 52 HD13 ILE 6 HD13 ILE 6 -5.686 -4.237 1.002 53 H VAL 7 H VAL 7 -4.348 -9.938 2.362 54 HA VAL 7 HA VAL 7 -4.990 -10.892 5.046 55 HB VAL 7 HB VAL 7 -3.122 -12.504 4.690 56 HG11 VAL 7 HG11 VAL 7 -5.099 -12.376 2.376 57 HG12 VAL 7 HG12 VAL 7 -5.391 -13.114 3.953 58 HG13 VAL 7 HG13 VAL 7 -4.185 -13.805 2.867 59 HG21 VAL 7 HG21 VAL 7 -2.784 -11.172 1.967 60 HG22 VAL 7 HG22 VAL 7 -1.968 -12.644 2.497 61 HG23 VAL 7 HG23 VAL 7 -1.623 -11.111 3.298 62 H ASP 8 H ASP 8 -2.930 -8.492 3.686 63 HA ASP 8 HA ASP 8 -1.947 -7.692 6.280 64 HB2 ASP 8 HB2 ASP 8 -0.321 -9.507 5.548 65 HB3 ASP 8 HB3 ASP 8 0.112 -8.507 4.167 66 HA PRO 9 HA PRO 9 -1.566 -5.977 7.257 67 HB2 PRO 9 HB2 PRO 9 -2.063 -3.427 7.945 68 HB3 PRO 9 HB3 PRO 9 -0.477 -3.899 7.319 69 HG2 PRO 9 HG2 PRO 9 -2.768 -2.575 5.865 70 HG3 PRO 9 HG3 PRO 9 -1.038 -2.168 5.834 71 HD2 PRO 9 HD2 PRO 9 -2.292 -3.705 3.900 72 HD3 PRO 9 HD3 PRO 9 -0.557 -3.811 4.271 73 H ARG 10 H ARG 10 -3.244 -5.679 8.911 74 HA ARG 10 HA ARG 10 -5.987 -5.904 7.801 75 HB2 ARG 10 HB2 ARG 10 -4.834 -7.095 10.358 76 HB3 ARG 10 HB3 ARG 10 -6.461 -7.366 9.739 77 HG2 ARG 10 HG2 ARG 10 -5.575 -8.556 7.798 78 HG3 ARG 10 HG3 ARG 10 -3.920 -8.195 8.291 79 HD2 ARG 10 HD2 ARG 10 -4.359 -9.508 10.412 80 HD3 ARG 10 HD3 ARG 10 -5.908 -10.000 9.715 81 HE ARG 10 HE ARG 10 -4.072 -10.675 7.807 82 HH11 ARG 10 HH11 ARG 10 -4.474 -11.551 11.136 83 HH12 ARG 10 HH12 ARG 10 -3.612 -13.035 10.942 84 HH21 ARG 10 HH21 ARG 10 -2.965 -12.583 7.613 85 HH22 ARG 10 HH22 ARG 10 -2.779 -13.604 8.997 86 H GLU 11 H GLU 11 -4.454 -3.418 8.893 87 HA GLU 11 HA GLU 11 -6.617 -2.260 10.451 88 HB2 GLU 11 HB2 GLU 11 -5.328 -1.781 12.475 89 HB3 GLU 11 HB3 GLU 11 -5.345 -3.516 12.190 90 HG2 GLU 11 HG2 GLU 11 -3.059 -3.434 11.315 91 HG3 GLU 11 HG3 GLU 11 -3.026 -1.678 11.493 92 H HIS 12 H HIS 12 -5.739 -0.009 11.418 93 HA HIS 12 HA HIS 12 -4.708 1.663 9.296 94 HB2 HIS 12 HB2 HIS 12 -5.120 2.410 12.232 95 HB3 HIS 12 HB3 HIS 12 -5.003 3.515 10.869 96 HD1 HIS 12 HD1 HIS 12 -7.395 1.499 12.820 97 HD2 HIS 12 HD2 HIS 12 -7.386 3.551 9.211 98 HE1 HIS 12 HE1 HIS 12 -9.808 1.798 12.207 99 HE2 HIS 12 HE2 HIS 12 -9.769 3.172 10.112 100 H VAL 13 H VAL 13 -2.521 1.395 8.825 101 HA VAL 13 HA VAL 13 -0.553 1.031 10.994 102 HB VAL 13 HB VAL 13 -0.171 0.890 7.967 103 HG11 VAL 13 HG11 VAL 13 1.803 0.199 10.186 104 HG12 VAL 13 HG12 VAL 13 1.942 1.540 9.050 105 HG13 VAL 13 HG13 VAL 13 2.052 -0.119 8.466 106 HG21 VAL 13 HG21 VAL 13 -1.583 -0.937 8.833 107 HG22 VAL 13 HG22 VAL 13 -0.353 -1.342 10.032 108 HG23 VAL 13 HG23 VAL 13 -0.016 -1.559 8.314 109 H PHE 14 H PHE 14 0.125 2.852 11.932 110 HA PHE 14 HA PHE 14 0.229 5.420 10.596 111 HB2 PHE 14 HB2 PHE 14 1.071 4.602 13.411 112 HB3 PHE 14 HB3 PHE 14 1.049 6.258 12.817 113 HD1 PHE 14 HD1 PHE 14 -1.174 3.308 13.461 114 HD2 PHE 14 HD2 PHE 14 -0.945 7.550 12.956 115 HE1 PHE 14 HE1 PHE 14 -3.523 3.522 14.157 116 HE2 PHE 14 HE2 PHE 14 -3.294 7.753 13.660 117 HZ PHE 14 HZ PHE 14 -4.584 5.744 14.258 118 H VAL 15 H VAL 15 1.870 5.921 9.283 119 HA VAL 15 HA VAL 15 4.588 4.815 9.683 120 HB VAL 15 HB VAL 15 3.357 6.045 7.168 121 HG11 VAL 15 HG11 VAL 15 5.810 6.231 7.167 122 HG12 VAL 15 HG12 VAL 15 5.278 5.060 5.960 123 HG13 VAL 15 HG13 VAL 15 5.957 4.501 7.490 124 HG21 VAL 15 HG21 VAL 15 3.721 3.106 7.878 125 HG22 VAL 15 HG22 VAL 15 3.177 3.717 6.316 126 HG23 VAL 15 HG23 VAL 15 2.185 3.966 7.752 127 H HIS 16 H HIS 16 5.796 6.254 10.884 128 HA HIS 16 HA HIS 16 5.341 9.120 10.844 129 HB2 HIS 16 HB2 HIS 16 7.475 7.435 12.226 130 HB3 HIS 16 HB3 HIS 16 7.293 9.172 12.452 131 HD1 HIS 16 HD1 HIS 16 6.265 9.564 14.668 132 HD2 HIS 16 HD2 HIS 16 4.622 6.213 12.833 133 HE1 HIS 16 HE1 HIS 16 4.497 8.739 16.242 134 HE2 HIS 16 HE2 HIS 16 3.646 6.617 15.197 135 H ALA 17 H ALA 17 6.093 10.382 9.223 136 HA ALA 17 HA ALA 17 8.617 9.693 7.820 137 HB1 ALA 17 HB1 ALA 17 6.011 10.495 6.492 138 HB2 ALA 17 HB2 ALA 17 6.690 8.867 6.532 139 HB3 ALA 17 HB3 ALA 17 7.540 10.154 5.676 140 H ILE 18 H ILE 18 9.834 11.373 7.040 141 HA ILE 18 HA ILE 18 9.290 14.099 7.966 142 HB ILE 18 HB ILE 18 11.675 13.019 6.390 143 HG12 ILE 18 HG12 ILE 18 11.464 13.405 9.415 144 HG13 ILE 18 HG13 ILE 18 11.371 11.848 8.601 145 HG21 ILE 18 HG21 ILE 18 11.510 15.465 6.230 146 HG22 ILE 18 HG22 ILE 18 12.908 15.002 7.199 147 HG23 ILE 18 HG23 ILE 18 11.446 15.592 7.990 148 HD11 ILE 18 HD11 ILE 18 13.550 12.187 9.579 149 HD12 ILE 18 HD12 ILE 18 13.769 13.681 8.670 150 HD13 ILE 18 HD13 ILE 18 13.686 12.134 7.822 151 H THR 19 H THR 19 9.247 15.923 6.502 152 HA THR 19 HA THR 19 7.648 15.822 4.229 153 HB THR 19 HB THR 19 8.347 18.153 3.765 154 HG1 THR 19 HG1 THR 19 10.209 18.931 4.458 155 HG21 THR 19 HG21 THR 19 8.156 17.626 6.756 156 HG22 THR 19 HG22 THR 19 6.790 17.821 5.655 157 HG23 THR 19 HG23 THR 19 7.874 19.179 5.961 158 H SER 20 H SER 20 11.077 15.222 4.386 159 HA SER 20 HA SER 20 11.477 15.520 1.460 160 HB2 SER 20 HB2 SER 20 12.937 16.872 2.995 161 HB3 SER 20 HB3 SER 20 13.568 15.376 3.684 162 HG SER 20 HG SER 20 14.514 14.890 1.727 163 H GLU 21 H GLU 21 10.644 13.052 3.440 164 HA GLU 21 HA GLU 21 12.631 11.058 2.542 165 HB2 GLU 21 HB2 GLU 21 10.531 11.036 4.734 166 HB3 GLU 21 HB3 GLU 21 11.301 9.545 4.201 167 HG2 GLU 21 HG2 GLU 21 12.777 11.957 5.298 168 HG3 GLU 21 HG3 GLU 21 12.342 10.526 6.233 169 H CYS 22 H CYS 22 12.034 9.021 1.692 170 HA CYS 22 HA CYS 22 9.682 9.017 -0.058 171 HB2 CYS 22 HB2 CYS 22 10.737 7.036 -1.106 172 HB3 CYS 22 HB3 CYS 22 11.859 8.389 -1.036 173 HG CYS 22 HG CYS 22 11.896 5.651 1.013 174 H VAL 23 H VAL 23 7.836 7.961 0.456 175 HA VAL 23 HA VAL 23 7.841 5.980 2.670 176 HB VAL 23 HB VAL 23 5.528 7.659 1.591 177 HG11 VAL 23 HG11 VAL 23 4.706 5.469 2.396 178 HG12 VAL 23 HG12 VAL 23 4.193 6.768 3.473 179 HG13 VAL 23 HG13 VAL 23 5.532 5.716 3.937 180 HG21 VAL 23 HG21 VAL 23 5.621 8.818 3.768 181 HG22 VAL 23 HG22 VAL 23 7.153 8.973 2.907 182 HG23 VAL 23 HG23 VAL 23 7.007 7.831 4.244 183 H MET 24 H MET 24 7.665 3.926 2.114 184 HA MET 24 HA MET 24 6.322 3.112 -0.402 185 HB2 MET 24 HB2 MET 24 8.464 1.670 1.224 186 HB3 MET 24 HB3 MET 24 7.693 1.026 -0.220 187 HG2 MET 24 HG2 MET 24 8.649 2.849 -1.559 188 HG3 MET 24 HG3 MET 24 9.395 3.530 -0.114 189 HE1 MET 24 HE1 MET 24 9.323 0.456 -2.580 190 HE2 MET 24 HE2 MET 24 9.105 -0.332 -1.017 191 HE3 MET 24 HE3 MET 24 10.604 -0.559 -1.920 192 H LEU 25 H LEU 25 4.218 2.945 0.334 193 HA LEU 25 HA LEU 25 3.481 1.405 2.705 194 HB2 LEU 25 HB2 LEU 25 1.765 2.651 0.521 195 HB3 LEU 25 HB3 LEU 25 1.156 1.974 2.028 196 HG LEU 25 HG LEU 25 2.983 4.402 1.813 197 HD11 LEU 25 HD11 LEU 25 0.023 4.268 2.455 198 HD12 LEU 25 HD12 LEU 25 0.742 4.895 0.969 199 HD13 LEU 25 HD13 LEU 25 1.035 5.716 2.499 200 HD21 LEU 25 HD21 LEU 25 2.544 4.699 4.224 201 HD22 LEU 25 HD22 LEU 25 3.372 3.181 3.901 202 HD23 LEU 25 HD23 LEU 25 1.643 3.181 4.254 203 H ALA 26 H ALA 26 2.901 -0.767 2.688 204 HA ALA 26 HA ALA 26 2.752 -2.136 0.049 205 HB1 ALA 26 HB1 ALA 26 4.044 -3.982 1.022 206 HB2 ALA 26 HB2 ALA 26 4.150 -3.116 2.556 207 HB3 ALA 26 HB3 ALA 26 4.938 -2.462 1.120 208 H CYS 27 H CYS 27 1.242 -3.709 -0.221 209 HA CYS 27 HA CYS 27 -0.389 -4.689 2.035 210 HB2 CYS 27 HB2 CYS 27 -1.518 -3.531 -0.554 211 HB3 CYS 27 HB3 CYS 27 -2.470 -4.390 0.655 212 HG CYS 27 HG CYS 27 -3.153 -2.213 1.790 213 H GLU 28 H GLU 28 -0.166 -6.862 1.975 214 HA GLU 28 HA GLU 28 0.090 -8.304 -0.559 215 HB2 GLU 28 HB2 GLU 28 0.401 -9.169 2.335 216 HB3 GLU 28 HB3 GLU 28 0.439 -10.309 0.988 217 HG2 GLU 28 HG2 GLU 28 2.398 -9.229 0.045 218 HG3 GLU 28 HG3 GLU 28 2.316 -7.943 1.244 219 H VAL 29 H VAL 29 -1.416 -9.605 -1.390 220 HA VAL 29 HA VAL 29 -4.112 -9.675 -0.151 221 HB VAL 29 HB VAL 29 -5.018 -9.618 -2.478 222 HG11 VAL 29 HG11 VAL 29 -4.459 -7.256 -3.000 223 HG12 VAL 29 HG12 VAL 29 -3.092 -7.328 -1.885 224 HG13 VAL 29 HG13 VAL 29 -4.739 -7.487 -1.271 225 HG21 VAL 29 HG21 VAL 29 -3.133 -10.663 -3.693 226 HG22 VAL 29 HG22 VAL 29 -2.114 -9.259 -3.359 227 HG23 VAL 29 HG23 VAL 29 -3.531 -9.099 -4.405 228 H ASP 30 H ASP 30 -5.390 -11.564 -0.477 229 HA ASP 30 HA ASP 30 -3.966 -14.071 -0.532 230 HB2 ASP 30 HB2 ASP 30 -6.213 -15.084 -0.155 231 HB3 ASP 30 HB3 ASP 30 -5.850 -13.806 0.989 232 H ARG 31 H ARG 31 -6.092 -12.366 -2.771 233 HA ARG 31 HA ARG 31 -5.639 -14.373 -4.904 234 HB2 ARG 31 HB2 ARG 31 -7.671 -12.131 -4.579 235 HB3 ARG 31 HB3 ARG 31 -7.320 -12.784 -6.171 236 HG2 ARG 31 HG2 ARG 31 -9.342 -13.795 -5.248 237 HG3 ARG 31 HG3 ARG 31 -8.082 -15.012 -5.455 238 HD2 ARG 31 HD2 ARG 31 -7.597 -14.941 -3.050 239 HD3 ARG 31 HD3 ARG 31 -8.782 -13.655 -2.834 240 HE ARG 31 HE ARG 31 -10.522 -15.199 -3.162 241 HH11 ARG 31 HH11 ARG 31 -7.452 -16.810 -3.273 242 HH12 ARG 31 HH12 ARG 31 -8.135 -18.344 -2.878 243 HH21 ARG 31 HH21 ARG 31 -11.339 -17.172 -2.610 244 HH22 ARG 31 HH22 ARG 31 -10.297 -18.545 -2.511 245 H GLU 32 H GLU 32 -3.529 -13.917 -5.428 246 HA GLU 32 HA GLU 32 -2.369 -11.345 -5.637 247 HB2 GLU 32 HB2 GLU 32 -0.435 -12.461 -6.578 248 HB3 GLU 32 HB3 GLU 32 -1.075 -13.416 -5.249 249 HG2 GLU 32 HG2 GLU 32 -2.146 -14.949 -6.887 250 HG3 GLU 32 HG3 GLU 32 -1.452 -14.004 -8.205 251 H ASP 33 H ASP 33 -4.310 -13.125 -7.855 252 HA ASP 33 HA ASP 33 -3.614 -11.853 -10.300 253 HB2 ASP 33 HB2 ASP 33 -6.258 -13.126 -9.475 254 HB3 ASP 33 HB3 ASP 33 -5.724 -12.823 -11.127 255 H ALA 34 H ALA 34 -5.658 -10.898 -7.619 256 HA ALA 34 HA ALA 34 -7.146 -8.852 -9.044 257 HB1 ALA 34 HB1 ALA 34 -8.227 -10.111 -7.232 258 HB2 ALA 34 HB2 ALA 34 -8.172 -8.391 -6.842 259 HB3 ALA 34 HB3 ALA 34 -7.037 -9.508 -6.079 260 HA PRO 35 HA PRO 35 -3.877 -5.735 -8.104 261 HB2 PRO 35 HB2 PRO 35 -4.867 -3.710 -9.619 262 HB3 PRO 35 HB3 PRO 35 -4.079 -5.114 -10.356 263 HG2 PRO 35 HG2 PRO 35 -7.035 -4.594 -9.974 264 HG3 PRO 35 HG3 PRO 35 -6.176 -5.112 -11.444 265 HD2 PRO 35 HD2 PRO 35 -7.452 -6.890 -9.830 266 HD3 PRO 35 HD3 PRO 35 -5.962 -7.317 -10.699 267 H VAL 36 H VAL 36 -3.972 -3.407 -7.290 268 HA VAL 36 HA VAL 36 -6.256 -3.023 -5.434 269 HB VAL 36 HB VAL 36 -4.685 -1.773 -3.948 270 HG11 VAL 36 HG11 VAL 36 -3.837 -4.634 -4.534 271 HG12 VAL 36 HG12 VAL 36 -5.149 -4.129 -3.467 272 HG13 VAL 36 HG13 VAL 36 -3.480 -3.742 -3.052 273 HG21 VAL 36 HG21 VAL 36 -2.507 -2.744 -5.844 274 HG22 VAL 36 HG22 VAL 36 -2.239 -1.932 -4.300 275 HG23 VAL 36 HG23 VAL 36 -3.017 -1.068 -5.626 276 H ARG 37 H ARG 37 -6.961 -0.979 -5.013 277 HA ARG 37 HA ARG 37 -6.409 1.154 -6.980 278 HB2 ARG 37 HB2 ARG 37 -8.870 0.660 -5.220 279 HB3 ARG 37 HB3 ARG 37 -8.648 2.083 -6.224 280 HG2 ARG 37 HG2 ARG 37 -10.145 0.664 -7.408 281 HG3 ARG 37 HG3 ARG 37 -8.599 0.538 -8.246 282 HD2 ARG 37 HD2 ARG 37 -8.166 -1.619 -7.142 283 HD3 ARG 37 HD3 ARG 37 -9.678 -1.477 -6.241 284 HE ARG 37 HE ARG 37 -10.487 -1.334 -8.822 285 HH11 ARG 37 HH11 ARG 37 -8.486 -3.643 -7.181 286 HH12 ARG 37 HH12 ARG 37 -9.053 -4.961 -8.140 287 HH21 ARG 37 HH21 ARG 37 -11.163 -3.032 -10.048 288 HH22 ARG 37 HH22 ARG 37 -10.564 -4.621 -9.729 289 H TRP 38 H TRP 38 -4.920 2.538 -6.099 290 HA TRP 38 HA TRP 38 -4.667 2.840 -3.207 291 HB2 TRP 38 HB2 TRP 38 -3.020 3.890 -5.540 292 HB3 TRP 38 HB3 TRP 38 -2.735 4.437 -3.891 293 HD1 TRP 38 HD1 TRP 38 -1.883 1.615 -6.228 294 HE1 TRP 38 HE1 TRP 38 -0.459 -0.124 -4.983 295 HE3 TRP 38 HE3 TRP 38 -2.506 3.302 -1.432 296 HZ2 TRP 38 HZ2 TRP 38 0.281 -0.734 -2.334 297 HZ3 TRP 38 HZ3 TRP 38 -1.402 2.082 0.404 298 HH2 TRP 38 HH2 TRP 38 -0.033 0.104 -0.041 299 H TYR 39 H TYR 39 -5.339 4.490 -2.042 300 HA TYR 39 HA TYR 39 -6.485 6.917 -3.294 301 HB2 TYR 39 HB2 TYR 39 -7.630 5.341 -0.937 302 HB3 TYR 39 HB3 TYR 39 -8.199 6.940 -1.423 303 HD1 TYR 39 HD2 TYR 39 -9.407 7.236 -3.586 304 HD2 TYR 39 HD1 TYR 39 -8.315 3.352 -2.171 305 HE1 TYR 39 HE2 TYR 39 -10.987 6.207 -5.165 306 HE2 TYR 39 HE1 TYR 39 -9.894 2.331 -3.755 307 HH TYR 39 HH TYR 39 -11.271 4.015 -6.321 308 H LYS 40 H LYS 40 -6.576 8.737 -1.924 309 HA LYS 40 HA LYS 40 -5.124 8.767 0.622 310 HB2 LYS 40 HB2 LYS 40 -3.518 9.438 -1.223 311 HB3 LYS 40 HB3 LYS 40 -4.589 10.769 -1.631 312 HG2 LYS 40 HG2 LYS 40 -4.141 11.851 0.494 313 HG3 LYS 40 HG3 LYS 40 -3.231 10.449 1.068 314 HD2 LYS 40 HD2 LYS 40 -1.677 12.209 0.374 315 HD3 LYS 40 HD3 LYS 40 -1.531 10.824 -0.705 316 HE2 LYS 40 HE2 LYS 40 -1.447 12.855 -2.007 317 HE3 LYS 40 HE3 LYS 40 -2.966 12.032 -2.367 318 HZ1 LYS 40 HZ1 LYS 40 -2.623 14.332 -0.517 319 HZ2 LYS 40 HZ2 LYS 40 -4.087 13.557 -0.856 320 HZ3 LYS 40 HZ3 LYS 40 -3.274 14.401 -2.077 321 H ASP 41 H ASP 41 -5.647 10.942 1.759 322 HA ASP 41 HA ASP 41 -8.327 11.391 2.089 323 HB2 ASP 41 HB2 ASP 41 -6.666 12.149 3.686 324 HB3 ASP 41 HB3 ASP 41 -6.015 13.311 2.538 325 H GLY 42 H GLY 42 -9.662 11.736 0.407 326 HA2 GLY 42 HA2 GLY 42 -11.004 13.235 -0.788 327 HA3 GLY 42 HA3 GLY 42 -9.680 14.377 -0.881 328 H GLN 43 H GLN 43 -7.858 12.198 -1.986 329 HA GLN 43 HA GLN 43 -8.904 12.008 -4.755 330 HB2 GLN 43 HB2 GLN 43 -6.229 13.279 -3.984 331 HB3 GLN 43 HB3 GLN 43 -6.699 12.875 -5.631 332 HG2 GLN 43 HG2 GLN 43 -8.552 14.496 -5.502 333 HG3 GLN 43 HG3 GLN 43 -8.077 14.916 -3.856 334 HE21 GLN 43 HE21 GLN 43 -8.225 16.634 -6.224 335 HE22 GLN 43 HE22 GLN 43 -6.649 17.304 -6.429 336 H GLU 44 H GLU 44 -8.294 10.143 -5.798 337 HA GLU 44 HA GLU 44 -6.784 8.111 -4.463 338 HB2 GLU 44 HB2 GLU 44 -7.142 6.761 -6.476 339 HB3 GLU 44 HB3 GLU 44 -8.631 7.559 -5.989 340 HG2 GLU 44 HG2 GLU 44 -8.234 9.284 -7.750 341 HG3 GLU 44 HG3 GLU 44 -6.824 8.374 -8.286 342 H VAL 45 H VAL 45 -4.798 7.113 -5.197 343 HA VAL 45 HA VAL 45 -2.860 9.107 -6.170 344 HB VAL 45 HB VAL 45 -2.188 6.509 -4.721 345 HG11 VAL 45 HG11 VAL 45 -0.312 7.528 -5.952 346 HG12 VAL 45 HG12 VAL 45 -0.050 7.637 -4.212 347 HG13 VAL 45 HG13 VAL 45 -0.574 9.060 -5.115 348 HG21 VAL 45 HG21 VAL 45 -3.652 7.826 -3.254 349 HG22 VAL 45 HG22 VAL 45 -2.632 9.248 -3.472 350 HG23 VAL 45 HG23 VAL 45 -2.000 7.827 -2.635 351 H GLU 46 H GLU 46 -2.782 8.926 -8.342 352 HA GLU 46 HA GLU 46 -2.195 6.325 -9.648 353 HB2 GLU 46 HB2 GLU 46 -2.703 7.497 -11.758 354 HB3 GLU 46 HB3 GLU 46 -4.037 7.691 -10.623 355 HG2 GLU 46 HG2 GLU 46 -3.164 9.970 -10.051 356 HG3 GLU 46 HG3 GLU 46 -1.915 9.769 -11.277 357 H GLU 47 H GLU 47 -0.433 6.507 -11.448 358 HA GLU 47 HA GLU 47 2.011 7.522 -10.325 359 HB2 GLU 47 HB2 GLU 47 1.489 6.320 -13.080 360 HB3 GLU 47 HB3 GLU 47 3.086 6.726 -12.454 361 HG2 GLU 47 HG2 GLU 47 2.665 5.100 -10.563 362 HG3 GLU 47 HG3 GLU 47 1.187 4.613 -11.392 363 H SER 48 H SER 48 1.605 9.745 -10.114 364 HA SER 48 HA SER 48 1.568 11.454 -12.514 365 HB2 SER 48 HB2 SER 48 0.040 11.950 -10.568 366 HB3 SER 48 HB3 SER 48 1.459 12.224 -9.557 367 HG SER 48 HG SER 48 0.298 13.838 -11.464 368 H ASP 49 H ASP 49 3.111 13.655 -11.587 369 HA ASP 49 HA ASP 49 5.690 12.931 -12.434 370 HB2 ASP 49 HB2 ASP 49 4.679 15.215 -12.612 371 HB3 ASP 49 HB3 ASP 49 4.874 15.419 -10.878 372 H PHE 50 H PHE 50 4.433 13.306 -9.131 373 HA PHE 50 HA PHE 50 7.062 12.620 -7.946 374 HB2 PHE 50 HB2 PHE 50 4.538 13.760 -6.655 375 HB3 PHE 50 HB3 PHE 50 5.988 13.322 -5.767 376 HD1 PHE 50 HD2 PHE 50 4.765 15.610 -8.476 377 HD2 PHE 50 HD1 PHE 50 7.715 14.921 -5.452 378 HE1 PHE 50 HE2 PHE 50 5.639 17.890 -8.796 379 HE2 PHE 50 HE1 PHE 50 8.575 17.203 -5.784 380 HZ PHE 50 HZ PHE 50 7.541 18.688 -7.452 381 H VAL 51 H VAL 51 4.727 10.722 -9.138 382 HA VAL 51 HA VAL 51 4.727 8.854 -6.812 383 HB VAL 51 HB VAL 51 2.362 9.139 -8.718 384 HG11 VAL 51 HG11 VAL 51 1.166 7.733 -7.075 385 HG12 VAL 51 HG12 VAL 51 2.626 7.627 -6.088 386 HG13 VAL 51 HG13 VAL 51 2.595 6.906 -7.698 387 HG21 VAL 51 HG21 VAL 51 1.126 10.249 -6.882 388 HG22 VAL 51 HG22 VAL 51 2.513 11.207 -7.402 389 HG23 VAL 51 HG23 VAL 51 2.598 10.277 -5.908 390 H VAL 52 H VAL 52 5.405 6.807 -7.259 391 HA VAL 52 HA VAL 52 4.828 5.622 -9.918 392 HB VAL 52 HB VAL 52 6.919 4.232 -9.761 393 HG11 VAL 52 HG11 VAL 52 8.501 5.977 -10.501 394 HG12 VAL 52 HG12 VAL 52 7.437 7.227 -9.853 395 HG13 VAL 52 HG13 VAL 52 6.898 6.225 -11.201 396 HG21 VAL 52 HG21 VAL 52 8.770 4.914 -8.246 397 HG22 VAL 52 HG22 VAL 52 7.359 4.375 -7.335 398 HG23 VAL 52 HG23 VAL 52 7.707 6.099 -7.479 399 H LEU 53 H LEU 53 4.120 3.445 -9.861 400 HA LEU 53 HA LEU 53 3.431 2.362 -7.172 401 HB2 LEU 53 HB2 LEU 53 1.787 2.210 -9.736 402 HB3 LEU 53 HB3 LEU 53 1.356 1.446 -8.213 403 HG LEU 53 HG LEU 53 1.571 4.457 -8.641 404 HD11 LEU 53 HD11 LEU 53 -0.878 4.504 -8.510 405 HD12 LEU 53 HD12 LEU 53 -0.919 2.741 -8.421 406 HD13 LEU 53 HD13 LEU 53 -0.327 3.540 -9.879 407 HD21 LEU 53 HD21 LEU 53 0.558 2.911 -6.226 408 HD22 LEU 53 HD22 LEU 53 0.512 4.664 -6.425 409 HD23 LEU 53 HD23 LEU 53 2.061 3.833 -6.318 410 H GLU 54 H GLU 54 4.229 0.379 -6.761 411 HA GLU 54 HA GLU 54 5.261 -1.310 -8.966 412 HB2 GLU 54 HB2 GLU 54 6.076 -1.140 -6.033 413 HB3 GLU 54 HB3 GLU 54 6.741 -2.304 -7.173 414 HG2 GLU 54 HG2 GLU 54 6.983 0.717 -7.421 415 HG3 GLU 54 HG3 GLU 54 8.227 -0.348 -6.770 416 H ASN 55 H ASN 55 3.974 -3.008 -9.457 417 HA ASN 55 HA ASN 55 2.570 -4.476 -7.278 418 HB2 ASN 55 HB2 ASN 55 1.635 -4.043 -10.152 419 HB3 ASN 55 HB3 ASN 55 0.842 -5.109 -8.999 420 HD21 ASN 55 HD21 ASN 55 1.255 -3.196 -6.730 421 HD22 ASN 55 HD22 ASN 55 0.098 -1.949 -7.003 422 H GLU 56 H GLU 56 3.369 -6.454 -6.966 423 HA GLU 56 HA GLU 56 4.428 -8.087 -9.174 424 HB2 GLU 56 HB2 GLU 56 6.355 -6.790 -8.232 425 HB3 GLU 56 HB3 GLU 56 6.014 -7.456 -6.637 426 HG2 GLU 56 HG2 GLU 56 6.525 -9.728 -7.471 427 HG3 GLU 56 HG3 GLU 56 6.853 -9.066 -9.075 428 H GLY 57 H GLY 57 2.836 -9.610 -8.966 429 HA2 GLY 57 HA2 GLY 57 1.663 -11.412 -8.189 430 HA3 GLY 57 HA3 GLY 57 2.939 -11.622 -7.003 431 HA PRO 58 HA PRO 58 -0.552 -10.498 -4.209 432 HB2 PRO 58 HB2 PRO 58 0.630 -11.345 -1.877 433 HB3 PRO 58 HB3 PRO 58 -0.187 -12.444 -2.997 434 HG2 PRO 58 HG2 PRO 58 2.756 -11.872 -2.710 435 HG3 PRO 58 HG3 PRO 58 1.936 -13.435 -2.913 436 HD2 PRO 58 HD2 PRO 58 3.148 -12.141 -4.985 437 HD3 PRO 58 HD3 PRO 58 1.714 -13.164 -5.215 438 H HIS 59 H HIS 59 2.824 -9.499 -4.165 439 HA HIS 59 HA HIS 59 2.547 -7.541 -2.044 440 HB2 HIS 59 HB2 HIS 59 4.816 -8.217 -3.947 441 HB3 HIS 59 HB3 HIS 59 4.918 -6.897 -2.789 442 HD1 HIS 59 HD1 HIS 59 6.190 -7.580 -0.800 443 HD2 HIS 59 HD2 HIS 59 4.006 -10.755 -2.343 444 HE1 HIS 59 HE1 HIS 59 6.657 -9.509 0.720 445 HE2 HIS 59 HE2 HIS 59 5.165 -11.347 -0.108 446 H ARG 60 H ARG 60 1.173 -5.951 -2.517 447 HA ARG 60 HA ARG 60 1.394 -4.363 -5.015 448 HB2 ARG 60 HB2 ARG 60 -0.852 -4.485 -2.950 449 HB3 ARG 60 HB3 ARG 60 -0.903 -3.621 -4.481 450 HG2 ARG 60 HG2 ARG 60 -0.726 -6.639 -4.190 451 HG3 ARG 60 HG3 ARG 60 -2.211 -5.733 -4.479 452 HD2 ARG 60 HD2 ARG 60 -1.103 -4.853 -6.609 453 HD3 ARG 60 HD3 ARG 60 0.157 -6.066 -6.340 454 HE ARG 60 HE ARG 60 -2.542 -7.111 -6.339 455 HH11 ARG 60 HH11 ARG 60 0.249 -6.521 -8.300 456 HH12 ARG 60 HH12 ARG 60 -0.318 -7.522 -9.580 457 HH21 ARG 60 HH21 ARG 60 -3.239 -8.354 -8.001 458 HH22 ARG 60 HH22 ARG 60 -2.264 -8.543 -9.413 459 H ARG 61 H ARG 61 2.843 -2.668 -4.584 460 HA ARG 61 HA ARG 61 2.496 -1.158 -2.057 461 HB2 ARG 61 HB2 ARG 61 5.033 -0.779 -2.098 462 HB3 ARG 61 HB3 ARG 61 4.458 -2.372 -1.629 463 HG2 ARG 61 HG2 ARG 61 5.024 -3.273 -3.830 464 HG3 ARG 61 HG3 ARG 61 5.510 -1.670 -4.387 465 HD2 ARG 61 HD2 ARG 61 7.444 -3.135 -3.754 466 HD3 ARG 61 HD3 ARG 61 7.377 -1.624 -2.842 467 HE ARG 61 HE ARG 61 6.060 -3.703 -1.427 468 HH11 ARG 61 HH11 ARG 61 9.284 -2.752 -2.250 469 HH12 ARG 61 HH12 ARG 61 9.941 -3.375 -0.780 470 HH21 ARG 61 HH21 ARG 61 6.948 -4.494 0.436 471 HH22 ARG 61 HH22 ARG 61 8.650 -4.353 0.701 472 H LEU 62 H LEU 62 2.518 0.950 -2.069 473 HA LEU 62 HA LEU 62 2.812 2.571 -4.485 474 HB2 LEU 62 HB2 LEU 62 0.917 2.801 -2.803 475 HB3 LEU 62 HB3 LEU 62 2.077 3.368 -1.625 476 HG LEU 62 HG LEU 62 1.500 4.855 -4.231 477 HD11 LEU 62 HD11 LEU 62 0.219 5.319 -1.516 478 HD12 LEU 62 HD12 LEU 62 -0.585 4.685 -2.953 479 HD13 LEU 62 HD13 LEU 62 0.019 6.338 -2.945 480 HD21 LEU 62 HD21 LEU 62 3.618 5.531 -3.189 481 HD22 LEU 62 HD22 LEU 62 2.796 5.820 -1.654 482 HD23 LEU 62 HD23 LEU 62 2.429 6.823 -3.062 483 H VAL 63 H VAL 63 4.738 3.627 -4.918 484 HA VAL 63 HA VAL 63 6.682 4.053 -2.704 485 HB VAL 63 HB VAL 63 7.328 3.661 -5.668 486 HG11 VAL 63 HG11 VAL 63 9.696 3.553 -4.953 487 HG12 VAL 63 HG12 VAL 63 9.216 3.900 -3.290 488 HG13 VAL 63 HG13 VAL 63 8.975 5.111 -4.551 489 HG21 VAL 63 HG21 VAL 63 7.726 1.702 -3.368 490 HG22 VAL 63 HG22 VAL 63 8.277 1.465 -5.028 491 HG23 VAL 63 HG23 VAL 63 6.551 1.543 -4.676 492 H LEU 64 H LEU 64 6.618 6.157 -2.130 493 HA LEU 64 HA LEU 64 6.134 8.266 -4.150 494 HB2 LEU 64 HB2 LEU 64 4.850 7.896 -1.768 495 HB3 LEU 64 HB3 LEU 64 6.146 8.932 -1.217 496 HG LEU 64 HG LEU 64 4.243 10.330 -1.659 497 HD11 LEU 64 HD11 LEU 64 6.352 11.336 -2.342 498 HD12 LEU 64 HD12 LEU 64 5.041 11.889 -3.379 499 HD13 LEU 64 HD13 LEU 64 6.181 10.669 -3.970 500 HD21 LEU 64 HD21 LEU 64 4.072 9.108 -4.431 501 HD22 LEU 64 HD22 LEU 64 3.053 10.407 -3.803 502 HD23 LEU 64 HD23 LEU 64 2.971 8.802 -3.085 503 HA PRO 65 HA PRO 65 10.758 8.830 -4.082 504 HB2 PRO 65 HB2 PRO 65 9.680 11.219 -5.610 505 HB3 PRO 65 HB3 PRO 65 11.114 10.232 -5.941 506 HG2 PRO 65 HG2 PRO 65 8.873 9.821 -7.320 507 HG3 PRO 65 HG3 PRO 65 9.848 8.447 -6.772 508 HD2 PRO 65 HD2 PRO 65 7.236 9.432 -5.722 509 HD3 PRO 65 HD3 PRO 65 7.883 7.781 -5.769 510 H ALA 66 H ALA 66 8.709 11.785 -3.784 511 HA ALA 66 HA ALA 66 10.195 12.590 -1.344 512 HB1 ALA 66 HB1 ALA 66 10.140 14.943 -2.119 513 HB2 ALA 66 HB2 ALA 66 9.409 14.430 -3.642 514 HB3 ALA 66 HB3 ALA 66 11.048 13.921 -3.233 515 H THR 67 H THR 67 8.543 11.979 0.060 516 HA THR 67 HA THR 67 5.762 12.398 -0.551 517 HB THR 67 HB THR 67 6.843 11.565 2.172 518 HG1 THR 67 HG1 THR 67 7.720 10.044 0.900 519 HG21 THR 67 HG21 THR 67 4.696 10.333 2.342 520 HG22 THR 67 HG22 THR 67 4.217 10.930 0.754 521 HG23 THR 67 HG23 THR 67 4.405 12.056 2.098 522 H GLN 68 H GLN 68 5.348 14.508 -0.727 523 HA GLN 68 HA GLN 68 6.070 16.591 1.086 524 HB2 GLN 68 HB2 GLN 68 3.915 16.454 -1.075 525 HB3 GLN 68 HB3 GLN 68 4.497 17.938 -0.322 526 HG2 GLN 68 HG2 GLN 68 6.684 17.675 -1.317 527 HG3 GLN 68 HG3 GLN 68 6.292 16.054 -1.883 528 HE21 GLN 68 HE21 GLN 68 5.751 19.472 -2.415 529 HE22 GLN 68 HE22 GLN 68 5.130 19.313 -4.017 530 HA PRO 69 HA PRO 69 3.003 16.280 4.375 531 HB2 PRO 69 HB2 PRO 69 2.363 19.192 3.901 532 HB3 PRO 69 HB3 PRO 69 2.806 18.366 5.403 533 HG2 PRO 69 HG2 PRO 69 4.592 19.876 4.135 534 HG3 PRO 69 HG3 PRO 69 5.088 18.334 4.867 535 HD2 PRO 69 HD2 PRO 69 4.573 18.986 1.969 536 HD3 PRO 69 HD3 PRO 69 5.842 17.970 2.687 537 H SER 70 H SER 70 1.934 18.092 1.532 538 HA SER 70 HA SER 70 -0.888 17.649 1.831 539 HB2 SER 70 HB2 SER 70 -0.930 18.591 -0.540 540 HB3 SER 70 HB3 SER 70 -0.138 19.616 0.655 541 HG SER 70 HG SER 70 1.063 18.007 -1.349 542 H ASP 71 H ASP 71 1.728 15.941 0.218 543 HA ASP 71 HA ASP 71 -0.102 14.055 -1.123 544 HB2 ASP 71 HB2 ASP 71 2.911 14.437 -1.376 545 HB3 ASP 71 HB3 ASP 71 1.955 13.282 -2.309 546 H GLY 72 H GLY 72 1.182 14.275 1.855 547 HA2 GLY 72 HA2 GLY 72 1.423 11.348 2.262 548 HA3 GLY 72 HA3 GLY 72 1.908 12.599 3.397 549 H GLY 73 H GLY 73 0.682 11.804 5.142 550 HA2 GLY 73 HA2 GLY 73 -1.174 11.949 6.522 551 HA3 GLY 73 HA3 GLY 73 -2.106 12.599 5.185 552 H GLU 74 H GLU 74 -3.923 11.305 5.269 553 HA GLU 74 HA GLU 74 -3.771 8.486 5.959 554 HB2 GLU 74 HB2 GLU 74 -6.165 10.226 5.240 555 HB3 GLU 74 HB3 GLU 74 -6.248 8.608 5.937 556 HG2 GLU 74 HG2 GLU 74 -5.192 9.401 7.997 557 HG3 GLU 74 HG3 GLU 74 -4.972 11.007 7.301 558 H PHE 75 H PHE 75 -3.651 6.853 4.540 559 HA PHE 75 HA PHE 75 -4.560 7.137 1.727 560 HB2 PHE 75 HB2 PHE 75 -2.297 5.436 2.874 561 HB3 PHE 75 HB3 PHE 75 -2.903 5.261 1.233 562 HD1 PHE 75 HD2 PHE 75 -1.295 7.732 3.544 563 HD2 PHE 75 HD1 PHE 75 -2.006 6.591 -0.513 564 HE1 PHE 75 HE2 PHE 75 0.332 9.406 2.781 565 HE2 PHE 75 HE1 PHE 75 -0.369 8.266 -1.265 566 HZ PHE 75 HZ PHE 75 0.803 9.674 0.380 567 H GLN 76 H GLN 76 -5.338 5.136 0.713 568 HA GLN 76 HA GLN 76 -6.236 2.925 2.433 569 HB2 GLN 76 HB2 GLN 76 -8.142 4.487 2.467 570 HB3 GLN 76 HB3 GLN 76 -8.143 4.572 0.709 571 HG2 GLN 76 HG2 GLN 76 -8.720 2.134 0.630 572 HG3 GLN 76 HG3 GLN 76 -8.810 2.132 2.392 573 HE21 GLN 76 HE21 GLN 76 -10.328 3.252 -0.552 574 HE22 GLN 76 HE22 GLN 76 -11.844 3.671 0.152 575 H CYS 77 H CYS 77 -5.811 1.041 1.438 576 HA CYS 77 HA CYS 77 -5.405 0.925 -1.506 577 HB2 CYS 77 HB2 CYS 77 -3.427 0.351 -0.132 578 HB3 CYS 77 HB3 CYS 77 -4.347 -0.901 0.693 579 HG CYS 77 HG CYS 77 -2.654 -1.063 -2.112 580 H VAL 78 H VAL 78 -7.227 0.127 -2.505 581 HA VAL 78 HA VAL 78 -8.897 -1.902 -1.135 582 HB VAL 78 HB VAL 78 -9.606 -0.156 -3.536 583 HG11 VAL 78 HG11 VAL 78 -10.844 -2.278 -3.603 584 HG12 VAL 78 HG12 VAL 78 -11.936 -0.957 -3.187 585 HG13 VAL 78 HG13 VAL 78 -11.365 -2.058 -1.929 586 HG21 VAL 78 HG21 VAL 78 -9.391 1.182 -1.479 587 HG22 VAL 78 HG22 VAL 78 -10.488 0.089 -0.632 588 HG23 VAL 78 HG23 VAL 78 -11.081 1.072 -1.972 589 H ALA 79 H ALA 79 -8.046 -3.894 -1.630 590 HA ALA 79 HA ALA 79 -7.452 -4.678 -4.387 591 HB1 ALA 79 HB1 ALA 79 -6.946 -6.883 -3.443 592 HB2 ALA 79 HB2 ALA 79 -7.552 -6.368 -1.865 593 HB3 ALA 79 HB3 ALA 79 -6.113 -5.612 -2.549 594 H GLY 80 H GLY 80 -9.332 -4.592 -5.564 595 HA2 GLY 80 HA2 GLY 80 -11.276 -5.345 -6.496 596 HA3 GLY 80 HA3 GLY 80 -11.218 -6.704 -5.385 597 H ASP 81 H ASP 81 -12.057 -6.360 -3.200 598 HA ASP 81 HA ASP 81 -14.097 -4.233 -2.968 599 HB2 ASP 81 HB2 ASP 81 -15.124 -6.412 -3.650 600 HB3 ASP 81 HB3 ASP 81 -14.455 -7.170 -2.212 601 H GLU 82 H GLU 82 -11.559 -6.034 -1.417 602 HA GLU 82 HA GLU 82 -12.305 -5.154 1.292 603 HB2 GLU 82 HB2 GLU 82 -11.405 -7.484 0.845 604 HB3 GLU 82 HB3 GLU 82 -9.855 -6.764 0.435 605 HG2 GLU 82 HG2 GLU 82 -9.861 -7.647 2.725 606 HG3 GLU 82 HG3 GLU 82 -9.618 -5.901 2.710 607 H CYS 83 H CYS 83 -10.928 -3.767 2.588 608 HA CYS 83 HA CYS 83 -8.975 -2.127 1.065 609 HB2 CYS 83 HB2 CYS 83 -9.959 -0.061 2.088 610 HB3 CYS 83 HB3 CYS 83 -11.058 -0.887 0.989 611 HG CYS 83 HG CYS 83 -12.107 0.285 3.527 612 H ALA 84 H ALA 84 -7.097 -2.035 2.065 613 HA ALA 84 HA ALA 84 -6.796 -2.176 4.987 614 HB1 ALA 84 HB1 ALA 84 -4.695 -2.055 2.786 615 HB2 ALA 84 HB2 ALA 84 -5.264 -3.518 3.589 616 HB3 ALA 84 HB3 ALA 84 -4.376 -2.301 4.507 617 H TYR 85 H TYR 85 -5.371 -0.480 6.051 618 HA TYR 85 HA TYR 85 -5.827 2.225 4.900 619 HB2 TYR 85 HB2 TYR 85 -6.476 1.307 7.733 620 HB3 TYR 85 HB3 TYR 85 -6.501 2.985 7.210 621 HD1 TYR 85 HD2 TYR 85 -8.307 3.819 5.727 622 HD2 TYR 85 HD1 TYR 85 -8.286 -0.249 7.054 623 HE1 TYR 85 HE2 TYR 85 -10.654 3.578 5.037 624 HE2 TYR 85 HE1 TYR 85 -10.636 -0.479 6.358 625 HH TYR 85 HH TYR 85 -12.569 0.863 5.933 626 H PHE 86 H PHE 86 -4.386 3.837 5.444 627 HA PHE 86 HA PHE 86 -2.060 3.262 7.187 628 HB2 PHE 86 HB2 PHE 86 -1.859 4.469 4.385 629 HB3 PHE 86 HB3 PHE 86 -0.525 4.292 5.519 630 HD1 PHE 86 HD2 PHE 86 0.227 1.947 6.179 631 HD2 PHE 86 HD1 PHE 86 -2.462 2.662 2.927 632 HE1 PHE 86 HE2 PHE 86 0.728 -0.283 5.267 633 HE2 PHE 86 HE1 PHE 86 -1.958 0.428 2.030 634 HZ PHE 86 HZ PHE 86 -0.361 -1.044 3.196 635 H THR 87 H THR 87 -1.181 5.107 8.205 636 HA THR 87 HA THR 87 -2.308 7.774 7.571 637 HB THR 87 HB THR 87 -1.962 6.728 10.426 638 HG1 THR 87 HG1 THR 87 -4.425 7.335 10.161 639 HG21 THR 87 HG21 THR 87 -3.058 8.840 11.112 640 HG22 THR 87 HG22 THR 87 -3.088 9.378 9.433 641 HG23 THR 87 HG23 THR 87 -1.543 9.166 10.258 642 H VAL 88 H VAL 88 -0.521 8.707 6.740 643 HA VAL 88 HA VAL 88 2.156 8.128 7.754 644 HB VAL 88 HB VAL 88 1.274 9.718 5.296 645 HG11 VAL 88 HG11 VAL 88 3.631 9.527 4.536 646 HG12 VAL 88 HG12 VAL 88 4.065 8.791 6.081 647 HG13 VAL 88 HG13 VAL 88 3.495 10.460 6.028 648 HG21 VAL 88 HG21 VAL 88 0.670 7.334 5.135 649 HG22 VAL 88 HG22 VAL 88 2.335 6.869 5.497 650 HG23 VAL 88 HG23 VAL 88 1.963 7.726 3.999 651 H THR 89 H THR 89 2.763 9.306 9.453 652 HA THR 89 HA THR 89 1.600 11.887 10.099 653 HB THR 89 HB THR 89 3.687 10.278 11.653 654 HG1 THR 89 HG1 THR 89 0.833 10.265 11.790 655 HG21 THR 89 HG21 THR 89 1.805 12.497 12.572 656 HG22 THR 89 HG22 THR 89 3.556 12.634 12.403 657 HG23 THR 89 HG23 THR 89 2.873 11.557 13.618 658 H ILE 90 H ILE 90 2.434 13.516 8.841 659 HA ILE 90 HA ILE 90 5.382 13.936 8.728 660 HB ILE 90 HB ILE 90 3.278 14.985 6.772 661 HG12 ILE 90 HG12 ILE 90 5.246 12.664 6.409 662 HG13 ILE 90 HG13 ILE 90 3.496 12.524 6.543 663 HG21 ILE 90 HG21 ILE 90 6.320 15.085 6.589 664 HG22 ILE 90 HG22 ILE 90 5.257 16.452 6.931 665 HG23 ILE 90 HG23 ILE 90 5.192 15.660 5.357 666 HD11 ILE 90 HD11 ILE 90 3.266 13.772 4.422 667 HD12 ILE 90 HD12 ILE 90 4.178 12.273 4.260 668 HD13 ILE 90 HD13 ILE 90 5.029 13.815 4.290
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